USER MOD reduce.3.24.130724 H: found=0, std=0, add=557, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 481 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 Single : A 21 HIS : no HD1:sc= -2.02 X(o=-2,f=-2) USER MOD Single : A 38 SER OG : rot -87:sc= 0.253 USER MOD Single : A 45 HIS : no HD1:sc= -0.118 X(o=-0.12,f=-0.19) USER MOD Single : A 46 MET CE :methyl 174:sc= -8.7! (180deg=-8.9!) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 ASN : amide:sc= 0.224 X(o=0.22,f=0) USER MOD Single : A 62 MET CE :methyl -177:sc= -2.08 (180deg=-2.11) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 69 MET CE :methyl 149:sc= -0.448 (180deg=-1.69!) USER MOD Single : A 71 THR OG1 : rot 180:sc= -0.0992 USER MOD Single : A 72 ASN : amide:sc= -0.994 X(o=-0.99,f=-0.66) USER MOD Single : A 75 THR OG1 : rot -49:sc= 1.21 USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 MET CE :methyl -147:sc= -3.54 (180deg=-5.54!) USER MOD ----------------------------------------------------------------- ATOM 173 N ALA A 15 -4.076 5.628 -7.536 1.00 12.35 N ATOM 174 CA ALA A 15 -3.613 5.139 -6.244 1.00 11.12 C ATOM 175 C ALA A 15 -3.777 3.628 -6.137 1.00 22.40 C ATOM 176 O ALA A 15 -2.987 2.951 -5.477 1.00 15.02 O ATOM 177 CB ALA A 15 -4.362 5.834 -5.117 1.00 1.22 C ATOM 0 HA ALA A 15 -2.551 5.369 -6.156 1.00 11.12 H new ATOM 0 HB1 ALA A 15 -4.006 5.459 -4.158 1.00 1.22 H new ATOM 0 HB2 ALA A 15 -4.189 6.909 -5.173 1.00 1.22 H new ATOM 0 HB3 ALA A 15 -5.429 5.633 -5.211 1.00 1.22 H new ATOM 183 N LEU A 16 -4.808 3.102 -6.790 1.00 50.11 N ATOM 184 CA LEU A 16 -5.077 1.668 -6.769 1.00 73.22 C ATOM 185 C LEU A 16 -3.886 0.883 -7.310 1.00 73.43 C ATOM 186 O LEU A 16 -3.508 -0.149 -6.754 1.00 0.12 O ATOM 187 CB LEU A 16 -6.327 1.352 -7.591 1.00 33.30 C ATOM 188 CG LEU A 16 -7.235 0.253 -7.036 1.00 25.24 C ATOM 189 CD1 LEU A 16 -6.459 -1.045 -6.869 1.00 54.05 C ATOM 190 CD2 LEU A 16 -7.848 0.684 -5.713 1.00 35.12 C ATOM 0 H LEU A 16 -5.471 3.647 -7.341 1.00 50.11 H new ATOM 0 HA LEU A 16 -5.245 1.370 -5.734 1.00 73.22 H new ATOM 0 HB2 LEU A 16 -6.914 2.265 -7.689 1.00 33.30 H new ATOM 0 HB3 LEU A 16 -6.014 1.065 -8.595 1.00 33.30 H new ATOM 0 HG LEU A 16 -8.043 0.081 -7.748 1.00 25.24 H new ATOM 0 HD11 LEU A 16 -7.120 -1.816 -6.473 1.00 54.05 H new ATOM 0 HD12 LEU A 16 -6.069 -1.363 -7.836 1.00 54.05 H new ATOM 0 HD13 LEU A 16 -5.631 -0.888 -6.178 1.00 54.05 H new ATOM 0 HD21 LEU A 16 -8.491 -0.111 -5.334 1.00 35.12 H new ATOM 0 HD22 LEU A 16 -7.055 0.884 -4.993 1.00 35.12 H new ATOM 0 HD23 LEU A 16 -8.439 1.588 -5.863 1.00 35.12 H new ATOM 201 N GLU A 17 -3.299 1.380 -8.393 1.00 64.20 N ATOM 202 CA GLU A 17 -2.151 0.723 -9.007 1.00 4.23 C ATOM 203 C GLU A 17 -0.913 0.853 -8.124 1.00 13.22 C ATOM 204 O GLU A 17 -0.069 -0.042 -8.082 1.00 4.02 O ATOM 205 CB GLU A 17 -1.871 1.323 -10.387 1.00 10.25 C ATOM 206 CG GLU A 17 -0.541 2.053 -10.475 1.00 42.32 C ATOM 207 CD GLU A 17 0.641 1.106 -10.544 1.00 22.02 C ATOM 208 OE1 GLU A 17 0.441 -0.064 -10.931 1.00 44.01 O ATOM 209 OE2 GLU A 17 1.766 1.535 -10.211 1.00 24.11 O ATOM 0 H GLU A 17 -3.598 2.234 -8.863 1.00 64.20 H new ATOM 0 HA GLU A 17 -2.387 -0.335 -9.119 1.00 4.23 H new ATOM 0 HB2 GLU A 17 -1.888 0.526 -11.131 1.00 10.25 H new ATOM 0 HB3 GLU A 17 -2.673 2.015 -10.643 1.00 10.25 H new ATOM 0 HG2 GLU A 17 -0.540 2.694 -11.357 1.00 42.32 H new ATOM 0 HG3 GLU A 17 -0.430 2.704 -9.608 1.00 42.32 H new ATOM 214 N LEU A 18 -0.812 1.975 -7.418 1.00 43.32 N ATOM 215 CA LEU A 18 0.321 2.224 -6.535 1.00 10.41 C ATOM 216 C LEU A 18 0.409 1.158 -5.447 1.00 64.52 C ATOM 217 O LEU A 18 1.454 0.537 -5.256 1.00 34.42 O ATOM 218 CB LEU A 18 0.202 3.610 -5.898 1.00 2.13 C ATOM 219 CG LEU A 18 1.518 4.283 -5.506 1.00 42.53 C ATOM 220 CD1 LEU A 18 1.392 5.796 -5.603 1.00 2.33 C ATOM 221 CD2 LEU A 18 1.931 3.869 -4.100 1.00 44.13 C ATOM 0 H LEU A 18 -1.502 2.726 -7.441 1.00 43.32 H new ATOM 0 HA LEU A 18 1.231 2.182 -7.133 1.00 10.41 H new ATOM 0 HB2 LEU A 18 -0.324 4.264 -6.594 1.00 2.13 H new ATOM 0 HB3 LEU A 18 -0.420 3.526 -5.007 1.00 2.13 H new ATOM 0 HG LEU A 18 2.292 3.958 -6.201 1.00 42.53 H new ATOM 0 HD11 LEU A 18 2.338 6.259 -5.321 1.00 2.33 H new ATOM 0 HD12 LEU A 18 1.143 6.075 -6.627 1.00 2.33 H new ATOM 0 HD13 LEU A 18 0.605 6.139 -4.931 1.00 2.33 H new ATOM 0 HD21 LEU A 18 2.870 4.357 -3.838 1.00 44.13 H new ATOM 0 HD22 LEU A 18 1.157 4.165 -3.391 1.00 44.13 H new ATOM 0 HD23 LEU A 18 2.062 2.788 -4.063 1.00 44.13 H new ATOM 232 N VAL A 19 -0.697 0.949 -4.740 1.00 4.13 N ATOM 233 CA VAL A 19 -0.747 -0.044 -3.674 1.00 42.50 C ATOM 234 C VAL A 19 -0.525 -1.449 -4.222 1.00 13.04 C ATOM 235 O VAL A 19 0.342 -2.182 -3.745 1.00 71.44 O ATOM 236 CB VAL A 19 -2.095 -0.002 -2.930 1.00 33.32 C ATOM 237 CG1 VAL A 19 -2.453 -1.380 -2.397 1.00 61.42 C ATOM 238 CG2 VAL A 19 -2.049 1.020 -1.804 1.00 61.42 C ATOM 0 H VAL A 19 -1.571 1.455 -4.887 1.00 4.13 H new ATOM 0 HA VAL A 19 0.053 0.201 -2.975 1.00 42.50 H new ATOM 0 HB VAL A 19 -2.870 0.301 -3.633 1.00 33.32 H new ATOM 0 HG11 VAL A 19 -3.408 -1.331 -1.874 1.00 61.42 H new ATOM 0 HG12 VAL A 19 -2.529 -2.083 -3.227 1.00 61.42 H new ATOM 0 HG13 VAL A 19 -1.679 -1.716 -1.707 1.00 61.42 H new ATOM 0 HG21 VAL A 19 -3.009 1.037 -1.289 1.00 61.42 H new ATOM 0 HG22 VAL A 19 -1.263 0.749 -1.099 1.00 61.42 H new ATOM 0 HG23 VAL A 19 -1.841 2.007 -2.217 1.00 61.42 H new ATOM 248 N ARG A 20 -1.313 -1.819 -5.225 1.00 45.41 N ATOM 249 CA ARG A 20 -1.203 -3.137 -5.839 1.00 20.10 C ATOM 250 C ARG A 20 0.214 -3.384 -6.347 1.00 2.21 C ATOM 251 O ARG A 20 0.748 -4.486 -6.220 1.00 53.15 O ATOM 252 CB ARG A 20 -2.200 -3.271 -6.991 1.00 62.41 C ATOM 253 CG ARG A 20 -3.608 -3.627 -6.540 1.00 11.10 C ATOM 254 CD ARG A 20 -4.605 -3.508 -7.681 1.00 65.34 C ATOM 255 NE ARG A 20 -4.409 -4.547 -8.690 1.00 52.23 N ATOM 256 CZ ARG A 20 -4.935 -4.496 -9.909 1.00 12.44 C ATOM 257 NH1 ARG A 20 -5.684 -3.463 -10.269 1.00 11.32 N ATOM 258 NH2 ARG A 20 -4.711 -5.479 -10.771 1.00 32.23 N ATOM 0 H ARG A 20 -2.036 -1.224 -5.631 1.00 45.41 H new ATOM 0 HA ARG A 20 -1.433 -3.884 -5.079 1.00 20.10 H new ATOM 0 HB2 ARG A 20 -2.231 -2.332 -7.544 1.00 62.41 H new ATOM 0 HB3 ARG A 20 -1.844 -4.036 -7.681 1.00 62.41 H new ATOM 0 HG2 ARG A 20 -3.620 -4.645 -6.150 1.00 11.10 H new ATOM 0 HG3 ARG A 20 -3.907 -2.969 -5.724 1.00 11.10 H new ATOM 0 HD2 ARG A 20 -5.618 -3.574 -7.285 1.00 65.34 H new ATOM 0 HD3 ARG A 20 -4.508 -2.527 -8.147 1.00 65.34 H new ATOM 0 HE ARG A 20 -3.837 -5.355 -8.445 1.00 52.23 H new ATOM 0 HH11 ARG A 20 -5.858 -2.705 -9.609 1.00 11.32 H new ATOM 0 HH12 ARG A 20 -6.086 -3.427 -11.206 1.00 11.32 H new ATOM 0 HH21 ARG A 20 -4.134 -6.275 -10.498 1.00 32.23 H new ATOM 0 HH22 ARG A 20 -5.115 -5.439 -11.707 1.00 32.23 H new ATOM 269 N HIS A 21 0.819 -2.350 -6.923 1.00 5.13 N ATOM 270 CA HIS A 21 2.175 -2.455 -7.452 1.00 14.45 C ATOM 271 C HIS A 21 3.171 -2.746 -6.335 1.00 32.54 C ATOM 272 O HIS A 21 3.921 -3.722 -6.396 1.00 64.11 O ATOM 273 CB HIS A 21 2.565 -1.164 -8.173 1.00 44.44 C ATOM 274 CG HIS A 21 3.900 -1.235 -8.847 1.00 11.43 C ATOM 275 ND1 HIS A 21 4.441 -2.410 -9.326 1.00 44.10 N ATOM 276 CD2 HIS A 21 4.805 -0.267 -9.123 1.00 3.23 C ATOM 277 CE1 HIS A 21 5.621 -2.162 -9.865 1.00 51.50 C ATOM 278 NE2 HIS A 21 5.866 -0.868 -9.756 1.00 60.14 N ATOM 0 H HIS A 21 0.392 -1.430 -7.035 1.00 5.13 H new ATOM 0 HA HIS A 21 2.199 -3.281 -8.163 1.00 14.45 H new ATOM 0 HB2 HIS A 21 1.804 -0.929 -8.917 1.00 44.44 H new ATOM 0 HB3 HIS A 21 2.573 -0.344 -7.455 1.00 44.44 H new ATOM 0 HD2 HIS A 21 4.711 0.783 -8.889 1.00 3.23 H new ATOM 0 HE1 HIS A 21 6.275 -2.893 -10.318 1.00 51.50 H new ATOM 0 HE2 HIS A 21 6.706 -0.393 -10.088 1.00 60.14 H new ATOM 285 N LEU A 22 3.176 -1.896 -5.315 1.00 34.52 N ATOM 286 CA LEU A 22 4.081 -2.063 -4.183 1.00 21.25 C ATOM 287 C LEU A 22 3.891 -3.428 -3.529 1.00 52.11 C ATOM 288 O LEU A 22 4.852 -4.053 -3.081 1.00 13.01 O ATOM 289 CB LEU A 22 3.851 -0.955 -3.152 1.00 25.34 C ATOM 290 CG LEU A 22 4.229 0.460 -3.594 1.00 75.21 C ATOM 291 CD1 LEU A 22 4.021 1.447 -2.456 1.00 33.42 C ATOM 292 CD2 LEU A 22 5.670 0.500 -4.080 1.00 45.54 C ATOM 0 H LEU A 22 2.563 -1.083 -5.248 1.00 34.52 H new ATOM 0 HA LEU A 22 5.103 -1.998 -4.556 1.00 21.25 H new ATOM 0 HB2 LEU A 22 2.797 -0.958 -2.873 1.00 25.34 H new ATOM 0 HB3 LEU A 22 4.419 -1.198 -2.254 1.00 25.34 H new ATOM 0 HG LEU A 22 3.580 0.748 -4.421 1.00 75.21 H new ATOM 0 HD11 LEU A 22 4.295 2.448 -2.788 1.00 33.42 H new ATOM 0 HD12 LEU A 22 2.974 1.439 -2.154 1.00 33.42 H new ATOM 0 HD13 LEU A 22 4.645 1.162 -1.609 1.00 33.42 H new ATOM 0 HD21 LEU A 22 5.921 1.514 -4.390 1.00 45.54 H new ATOM 0 HD22 LEU A 22 6.335 0.192 -3.273 1.00 45.54 H new ATOM 0 HD23 LEU A 22 5.788 -0.178 -4.925 1.00 45.54 H new ATOM 303 N VAL A 23 2.644 -3.886 -3.480 1.00 52.30 N ATOM 304 CA VAL A 23 2.328 -5.179 -2.884 1.00 42.34 C ATOM 305 C VAL A 23 2.811 -6.324 -3.768 1.00 55.31 C ATOM 306 O VAL A 23 3.452 -7.259 -3.292 1.00 50.10 O ATOM 307 CB VAL A 23 0.813 -5.331 -2.648 1.00 2.25 C ATOM 308 CG1 VAL A 23 0.496 -6.714 -2.098 1.00 41.42 C ATOM 309 CG2 VAL A 23 0.309 -4.245 -1.709 1.00 71.55 C ATOM 0 H VAL A 23 1.837 -3.381 -3.846 1.00 52.30 H new ATOM 0 HA VAL A 23 2.845 -5.222 -1.925 1.00 42.34 H new ATOM 0 HB VAL A 23 0.300 -5.219 -3.603 1.00 2.25 H new ATOM 0 HG11 VAL A 23 -0.578 -6.804 -1.937 1.00 41.42 H new ATOM 0 HG12 VAL A 23 0.821 -7.472 -2.810 1.00 41.42 H new ATOM 0 HG13 VAL A 23 1.018 -6.858 -1.152 1.00 41.42 H new ATOM 0 HG21 VAL A 23 -0.763 -4.367 -1.553 1.00 71.55 H new ATOM 0 HG22 VAL A 23 0.826 -4.322 -0.752 1.00 71.55 H new ATOM 0 HG23 VAL A 23 0.502 -3.266 -2.148 1.00 71.55 H new ATOM 319 N ALA A 24 2.499 -6.242 -5.057 1.00 53.24 N ATOM 320 CA ALA A 24 2.903 -7.270 -6.008 1.00 32.12 C ATOM 321 C ALA A 24 4.418 -7.444 -6.016 1.00 74.33 C ATOM 322 O ALA A 24 4.923 -8.562 -5.918 1.00 71.53 O ATOM 323 CB ALA A 24 2.402 -6.926 -7.402 1.00 53.35 C ATOM 0 H ALA A 24 1.967 -5.474 -5.467 1.00 53.24 H new ATOM 0 HA ALA A 24 2.456 -8.214 -5.697 1.00 32.12 H new ATOM 0 HB1 ALA A 24 2.711 -7.703 -8.102 1.00 53.35 H new ATOM 0 HB2 ALA A 24 1.314 -6.859 -7.391 1.00 53.35 H new ATOM 0 HB3 ALA A 24 2.821 -5.969 -7.713 1.00 53.35 H new ATOM 329 N GLU A 25 5.137 -6.332 -6.133 1.00 43.43 N ATOM 330 CA GLU A 25 6.594 -6.364 -6.156 1.00 62.12 C ATOM 331 C GLU A 25 7.148 -6.882 -4.831 1.00 54.52 C ATOM 332 O GLU A 25 8.205 -7.510 -4.791 1.00 72.43 O ATOM 333 CB GLU A 25 7.153 -4.969 -6.445 1.00 64.41 C ATOM 334 CG GLU A 25 6.697 -4.395 -7.776 1.00 52.25 C ATOM 335 CD GLU A 25 7.848 -3.862 -8.606 1.00 24.42 C ATOM 336 OE1 GLU A 25 8.584 -2.986 -8.108 1.00 5.22 O ATOM 337 OE2 GLU A 25 8.014 -4.323 -9.755 1.00 64.33 O ATOM 0 H GLU A 25 4.734 -5.398 -6.213 1.00 43.43 H new ATOM 0 HA GLU A 25 6.904 -7.043 -6.950 1.00 62.12 H new ATOM 0 HB2 GLU A 25 6.852 -4.293 -5.645 1.00 64.41 H new ATOM 0 HB3 GLU A 25 8.242 -5.013 -6.432 1.00 64.41 H new ATOM 0 HG2 GLU A 25 6.174 -5.167 -8.340 1.00 52.25 H new ATOM 0 HG3 GLU A 25 5.982 -3.592 -7.595 1.00 52.25 H new ATOM 342 N ARG A 26 6.425 -6.610 -3.749 1.00 4.02 N ATOM 343 CA ARG A 26 6.843 -7.046 -2.423 1.00 34.01 C ATOM 344 C ARG A 26 6.521 -8.521 -2.207 1.00 23.21 C ATOM 345 O ARG A 26 7.050 -9.157 -1.296 1.00 13.21 O ATOM 346 CB ARG A 26 6.160 -6.201 -1.346 1.00 33.12 C ATOM 347 CG ARG A 26 6.857 -4.877 -1.076 1.00 73.51 C ATOM 348 CD ARG A 26 7.617 -4.907 0.241 1.00 31.14 C ATOM 349 NE ARG A 26 9.032 -5.213 0.049 1.00 13.10 N ATOM 350 CZ ARG A 26 9.932 -4.317 -0.340 1.00 1.54 C ATOM 351 NH1 ARG A 26 9.565 -3.064 -0.577 1.00 25.32 N ATOM 352 NH2 ARG A 26 11.201 -4.671 -0.492 1.00 25.43 N ATOM 0 H ARG A 26 5.548 -6.090 -3.765 1.00 4.02 H new ATOM 0 HA ARG A 26 7.922 -6.914 -2.349 1.00 34.01 H new ATOM 0 HB2 ARG A 26 5.131 -6.005 -1.648 1.00 33.12 H new ATOM 0 HB3 ARG A 26 6.116 -6.774 -0.420 1.00 33.12 H new ATOM 0 HG2 ARG A 26 7.546 -4.655 -1.890 1.00 73.51 H new ATOM 0 HG3 ARG A 26 6.120 -4.074 -1.054 1.00 73.51 H new ATOM 0 HD2 ARG A 26 7.519 -3.942 0.738 1.00 31.14 H new ATOM 0 HD3 ARG A 26 7.171 -5.652 0.900 1.00 31.14 H new ATOM 0 HE ARG A 26 9.347 -6.168 0.223 1.00 13.10 H new ATOM 0 HH11 ARG A 26 8.590 -2.787 -0.460 1.00 25.32 H new ATOM 0 HH12 ARG A 26 10.258 -2.377 -0.876 1.00 25.32 H new ATOM 0 HH21 ARG A 26 11.487 -5.633 -0.310 1.00 25.43 H new ATOM 0 HH22 ARG A 26 11.891 -3.981 -0.791 1.00 25.43 H new ATOM 363 N ALA A 27 5.648 -9.060 -3.052 1.00 64.24 N ATOM 364 CA ALA A 27 5.255 -10.461 -2.956 1.00 13.13 C ATOM 365 C ALA A 27 6.074 -11.327 -3.908 1.00 53.21 C ATOM 366 O ALA A 27 5.813 -12.520 -4.055 1.00 73.44 O ATOM 367 CB ALA A 27 3.770 -10.614 -3.246 1.00 51.22 C ATOM 0 H ALA A 27 5.199 -8.547 -3.811 1.00 64.24 H new ATOM 0 HA ALA A 27 5.452 -10.799 -1.939 1.00 13.13 H new ATOM 0 HB1 ALA A 27 3.491 -11.665 -3.171 1.00 51.22 H new ATOM 0 HB2 ALA A 27 3.196 -10.034 -2.523 1.00 51.22 H new ATOM 0 HB3 ALA A 27 3.557 -10.253 -4.252 1.00 51.22 H new ATOM 373 N GLU A 28 7.064 -10.717 -4.552 1.00 60.40 N ATOM 374 CA GLU A 28 7.920 -11.434 -5.490 1.00 63.33 C ATOM 375 C GLU A 28 7.150 -11.801 -6.756 1.00 33.15 C ATOM 376 O GLU A 28 7.369 -12.861 -7.343 1.00 61.10 O ATOM 377 CB GLU A 28 8.483 -12.699 -4.838 1.00 44.54 C ATOM 378 CG GLU A 28 9.935 -12.970 -5.192 1.00 31.22 C ATOM 379 CD GLU A 28 10.904 -12.305 -4.233 1.00 41.34 C ATOM 380 OE1 GLU A 28 10.752 -11.091 -3.985 1.00 74.02 O ATOM 381 OE2 GLU A 28 11.813 -12.999 -3.731 1.00 3.44 O ATOM 0 H GLU A 28 7.293 -9.729 -4.442 1.00 60.40 H new ATOM 0 HA GLU A 28 8.746 -10.777 -5.764 1.00 63.33 H new ATOM 0 HB2 GLU A 28 8.392 -12.611 -3.755 1.00 44.54 H new ATOM 0 HB3 GLU A 28 7.878 -13.554 -5.141 1.00 44.54 H new ATOM 0 HG2 GLU A 28 10.110 -14.046 -5.192 1.00 31.22 H new ATOM 0 HG3 GLU A 28 10.131 -12.615 -6.204 1.00 31.22 H new ATOM 386 N LEU A 29 6.249 -10.918 -7.170 1.00 42.44 N ATOM 387 CA LEU A 29 5.445 -11.148 -8.366 1.00 14.21 C ATOM 388 C LEU A 29 5.109 -9.830 -9.057 1.00 40.25 C ATOM 389 O LEU A 29 5.193 -8.752 -8.468 1.00 44.25 O ATOM 390 CB LEU A 29 4.158 -11.891 -8.005 1.00 0.34 C ATOM 391 CG LEU A 29 3.697 -11.767 -6.552 1.00 71.44 C ATOM 392 CD1 LEU A 29 2.334 -11.097 -6.480 1.00 2.55 C ATOM 393 CD2 LEU A 29 3.656 -13.135 -5.888 1.00 32.22 C ATOM 0 H LEU A 29 6.056 -10.036 -6.696 1.00 42.44 H new ATOM 0 HA LEU A 29 6.028 -11.760 -9.054 1.00 14.21 H new ATOM 0 HB2 LEU A 29 3.359 -11.528 -8.651 1.00 0.34 H new ATOM 0 HB3 LEU A 29 4.296 -12.948 -8.233 1.00 0.34 H new ATOM 0 HG LEU A 29 4.413 -11.145 -6.015 1.00 71.44 H new ATOM 0 HD11 LEU A 29 2.022 -11.017 -5.439 1.00 2.55 H new ATOM 0 HD12 LEU A 29 2.395 -10.101 -6.918 1.00 2.55 H new ATOM 0 HD13 LEU A 29 1.606 -11.692 -7.032 1.00 2.55 H new ATOM 0 HD21 LEU A 29 3.326 -13.028 -4.855 1.00 32.22 H new ATOM 0 HD22 LEU A 29 2.961 -13.780 -6.426 1.00 32.22 H new ATOM 0 HD23 LEU A 29 4.651 -13.579 -5.907 1.00 32.22 H new ATOM 404 N PRO A 30 4.716 -9.917 -10.337 1.00 62.04 N ATOM 405 CA PRO A 30 4.355 -8.742 -11.136 1.00 54.20 C ATOM 406 C PRO A 30 3.048 -8.106 -10.674 1.00 63.30 C ATOM 407 O PRO A 30 2.257 -8.732 -9.968 1.00 25.03 O ATOM 408 CB PRO A 30 4.205 -9.306 -12.551 1.00 34.51 C ATOM 409 CG PRO A 30 3.869 -10.744 -12.351 1.00 13.24 C ATOM 410 CD PRO A 30 4.592 -11.169 -11.103 1.00 34.11 C ATOM 0 HA PRO A 30 5.100 -7.950 -11.056 1.00 54.20 H new ATOM 0 HB2 PRO A 30 3.420 -8.789 -13.102 1.00 34.51 H new ATOM 0 HB3 PRO A 30 5.125 -9.190 -13.123 1.00 34.51 H new ATOM 0 HG2 PRO A 30 2.793 -10.882 -12.245 1.00 13.24 H new ATOM 0 HG3 PRO A 30 4.184 -11.341 -13.207 1.00 13.24 H new ATOM 0 HD2 PRO A 30 4.032 -11.924 -10.551 1.00 34.11 H new ATOM 0 HD3 PRO A 30 5.567 -11.599 -11.330 1.00 34.11 H new ATOM 415 N VAL A 31 2.826 -6.860 -11.079 1.00 51.23 N ATOM 416 CA VAL A 31 1.613 -6.140 -10.708 1.00 70.22 C ATOM 417 C VAL A 31 0.452 -6.514 -11.621 1.00 61.25 C ATOM 418 O VAL A 31 -0.705 -6.221 -11.322 1.00 51.51 O ATOM 419 CB VAL A 31 1.826 -4.615 -10.764 1.00 64.12 C ATOM 420 CG1 VAL A 31 2.196 -4.180 -12.174 1.00 33.11 C ATOM 421 CG2 VAL A 31 0.580 -3.886 -10.282 1.00 12.12 C ATOM 0 H VAL A 31 3.470 -6.328 -11.664 1.00 51.23 H new ATOM 0 HA VAL A 31 1.374 -6.428 -9.684 1.00 70.22 H new ATOM 0 HB VAL A 31 2.651 -4.355 -10.101 1.00 64.12 H new ATOM 0 HG11 VAL A 31 2.343 -3.100 -12.195 1.00 33.11 H new ATOM 0 HG12 VAL A 31 3.117 -4.677 -12.478 1.00 33.11 H new ATOM 0 HG13 VAL A 31 1.394 -4.451 -12.861 1.00 33.11 H new ATOM 0 HG21 VAL A 31 0.747 -2.810 -10.328 1.00 12.12 H new ATOM 0 HG22 VAL A 31 -0.265 -4.149 -10.919 1.00 12.12 H new ATOM 0 HG23 VAL A 31 0.364 -4.176 -9.254 1.00 12.12 H new ATOM 431 N GLU A 32 0.768 -7.165 -12.737 1.00 3.44 N ATOM 432 CA GLU A 32 -0.250 -7.578 -13.694 1.00 63.52 C ATOM 433 C GLU A 32 -0.924 -8.873 -13.246 1.00 50.45 C ATOM 434 O GLU A 32 -2.023 -9.201 -13.695 1.00 30.44 O ATOM 435 CB GLU A 32 0.368 -7.768 -15.081 1.00 12.54 C ATOM 436 CG GLU A 32 1.175 -9.047 -15.218 1.00 65.41 C ATOM 437 CD GLU A 32 0.575 -10.010 -16.225 1.00 21.14 C ATOM 438 OE1 GLU A 32 0.906 -9.897 -17.424 1.00 43.24 O ATOM 439 OE2 GLU A 32 -0.225 -10.876 -15.813 1.00 24.33 O ATOM 0 H GLU A 32 1.721 -7.417 -12.999 1.00 3.44 H new ATOM 0 HA GLU A 32 -1.004 -6.793 -13.744 1.00 63.52 H new ATOM 0 HB2 GLU A 32 -0.427 -7.769 -15.827 1.00 12.54 H new ATOM 0 HB3 GLU A 32 1.012 -6.917 -15.302 1.00 12.54 H new ATOM 0 HG2 GLU A 32 2.193 -8.800 -15.519 1.00 65.41 H new ATOM 0 HG3 GLU A 32 1.240 -9.537 -14.247 1.00 65.41 H new ATOM 444 N VAL A 33 -0.259 -9.603 -12.358 1.00 12.14 N ATOM 445 CA VAL A 33 -0.793 -10.860 -11.847 1.00 4.11 C ATOM 446 C VAL A 33 -1.373 -10.683 -10.449 1.00 34.10 C ATOM 447 O VAL A 33 -1.957 -11.610 -9.885 1.00 2.22 O ATOM 448 CB VAL A 33 0.291 -11.954 -11.807 1.00 51.04 C ATOM 449 CG1 VAL A 33 1.145 -11.814 -10.557 1.00 72.21 C ATOM 450 CG2 VAL A 33 -0.345 -13.335 -11.877 1.00 30.44 C ATOM 0 H VAL A 33 0.651 -9.346 -11.977 1.00 12.14 H new ATOM 0 HA VAL A 33 -1.586 -11.168 -12.529 1.00 4.11 H new ATOM 0 HB VAL A 33 0.939 -11.832 -12.675 1.00 51.04 H new ATOM 0 HG11 VAL A 33 1.905 -12.595 -10.546 1.00 72.21 H new ATOM 0 HG12 VAL A 33 1.629 -10.837 -10.554 1.00 72.21 H new ATOM 0 HG13 VAL A 33 0.514 -11.909 -9.673 1.00 72.21 H new ATOM 0 HG21 VAL A 33 0.434 -14.096 -11.848 1.00 30.44 H new ATOM 0 HG22 VAL A 33 -1.016 -13.470 -11.029 1.00 30.44 H new ATOM 0 HG23 VAL A 33 -0.909 -13.429 -12.805 1.00 30.44 H new ATOM 460 N LEU A 34 -1.211 -9.487 -9.893 1.00 22.14 N ATOM 461 CA LEU A 34 -1.719 -9.188 -8.559 1.00 43.20 C ATOM 462 C LEU A 34 -3.244 -9.151 -8.554 1.00 32.42 C ATOM 463 O LEU A 34 -3.858 -8.339 -9.244 1.00 2.42 O ATOM 464 CB LEU A 34 -1.164 -7.848 -8.070 1.00 21.42 C ATOM 465 CG LEU A 34 -0.921 -7.733 -6.565 1.00 71.45 C ATOM 466 CD1 LEU A 34 -2.242 -7.677 -5.814 1.00 33.21 C ATOM 467 CD2 LEU A 34 -0.073 -8.897 -6.070 1.00 50.42 C ATOM 0 H LEU A 34 -0.732 -8.709 -10.346 1.00 22.14 H new ATOM 0 HA LEU A 34 -1.390 -9.979 -7.885 1.00 43.20 H new ATOM 0 HB2 LEU A 34 -0.223 -7.657 -8.586 1.00 21.42 H new ATOM 0 HB3 LEU A 34 -1.856 -7.060 -8.368 1.00 21.42 H new ATOM 0 HG LEU A 34 -0.378 -6.807 -6.374 1.00 71.45 H new ATOM 0 HD11 LEU A 34 -2.049 -7.595 -4.744 1.00 33.21 H new ATOM 0 HD12 LEU A 34 -2.813 -6.811 -6.147 1.00 33.21 H new ATOM 0 HD13 LEU A 34 -2.812 -8.585 -6.012 1.00 33.21 H new ATOM 0 HD21 LEU A 34 0.090 -8.798 -4.997 1.00 50.42 H new ATOM 0 HD22 LEU A 34 -0.589 -9.835 -6.274 1.00 50.42 H new ATOM 0 HD23 LEU A 34 0.888 -8.892 -6.584 1.00 50.42 H new ATOM 478 N ARG A 35 -3.849 -10.037 -7.768 1.00 3.14 N ATOM 479 CA ARG A 35 -5.302 -10.106 -7.672 1.00 12.23 C ATOM 480 C ARG A 35 -5.834 -9.039 -6.719 1.00 23.42 C ATOM 481 O ARG A 35 -5.171 -8.672 -5.750 1.00 41.21 O ATOM 482 CB ARG A 35 -5.737 -11.493 -7.196 1.00 61.24 C ATOM 483 CG ARG A 35 -4.899 -12.625 -7.769 1.00 2.43 C ATOM 484 CD ARG A 35 -5.480 -13.984 -7.414 1.00 53.34 C ATOM 485 NE ARG A 35 -6.433 -14.451 -8.417 1.00 5.53 N ATOM 486 CZ ARG A 35 -7.075 -15.611 -8.337 1.00 45.23 C ATOM 487 NH1 ARG A 35 -6.869 -16.416 -7.306 1.00 60.54 N ATOM 488 NH2 ARG A 35 -7.926 -15.967 -9.292 1.00 35.24 N ATOM 0 H ARG A 35 -3.355 -10.716 -7.189 1.00 3.14 H new ATOM 0 HA ARG A 35 -5.717 -9.923 -8.663 1.00 12.23 H new ATOM 0 HB2 ARG A 35 -5.683 -11.528 -6.108 1.00 61.24 H new ATOM 0 HB3 ARG A 35 -6.780 -11.651 -7.469 1.00 61.24 H new ATOM 0 HG2 ARG A 35 -4.842 -12.524 -8.853 1.00 2.43 H new ATOM 0 HG3 ARG A 35 -3.880 -12.553 -7.389 1.00 2.43 H new ATOM 0 HD2 ARG A 35 -4.672 -14.709 -7.316 1.00 53.34 H new ATOM 0 HD3 ARG A 35 -5.974 -13.925 -6.444 1.00 53.34 H new ATOM 0 HE ARG A 35 -6.616 -13.854 -9.223 1.00 5.53 H new ATOM 0 HH11 ARG A 35 -6.216 -16.146 -6.571 1.00 60.54 H new ATOM 0 HH12 ARG A 35 -7.363 -17.306 -7.247 1.00 60.54 H new ATOM 0 HH21 ARG A 35 -8.087 -15.350 -10.088 1.00 35.24 H new ATOM 0 HH22 ARG A 35 -8.419 -16.858 -9.230 1.00 35.24 H new ATOM 499 N ASP A 36 -7.035 -8.547 -7.003 1.00 71.13 N ATOM 500 CA ASP A 36 -7.657 -7.523 -6.172 1.00 11.23 C ATOM 501 C ASP A 36 -8.123 -8.111 -4.844 1.00 51.32 C ATOM 502 O ASP A 36 -8.285 -7.391 -3.858 1.00 61.15 O ATOM 503 CB ASP A 36 -8.840 -6.888 -6.907 1.00 32.43 C ATOM 504 CG ASP A 36 -8.598 -6.769 -8.398 1.00 73.21 C ATOM 505 OD1 ASP A 36 -7.916 -5.809 -8.813 1.00 63.13 O ATOM 506 OD2 ASP A 36 -9.091 -7.635 -9.151 1.00 70.33 O ATOM 0 H ASP A 36 -7.597 -8.841 -7.802 1.00 71.13 H new ATOM 0 HA ASP A 36 -6.912 -6.754 -5.967 1.00 11.23 H new ATOM 0 HB2 ASP A 36 -9.735 -7.486 -6.734 1.00 32.43 H new ATOM 0 HB3 ASP A 36 -9.032 -5.898 -6.493 1.00 32.43 H new ATOM 510 N ASP A 37 -8.338 -9.421 -4.825 1.00 61.10 N ATOM 511 CA ASP A 37 -8.786 -10.106 -3.618 1.00 31.01 C ATOM 512 C ASP A 37 -7.632 -10.855 -2.959 1.00 31.00 C ATOM 513 O ASP A 37 -7.846 -11.743 -2.133 1.00 13.53 O ATOM 514 CB ASP A 37 -9.919 -11.079 -3.949 1.00 63.41 C ATOM 515 CG ASP A 37 -11.057 -10.410 -4.695 1.00 71.24 C ATOM 516 OD1 ASP A 37 -11.696 -9.506 -4.117 1.00 35.22 O ATOM 517 OD2 ASP A 37 -11.308 -10.791 -5.857 1.00 54.22 O ATOM 0 H ASP A 37 -8.209 -10.031 -5.632 1.00 61.10 H new ATOM 0 HA ASP A 37 -9.155 -9.355 -2.919 1.00 31.01 H new ATOM 0 HB2 ASP A 37 -9.526 -11.899 -4.551 1.00 63.41 H new ATOM 0 HB3 ASP A 37 -10.300 -11.516 -3.026 1.00 63.41 H new ATOM 521 N SER A 38 -6.408 -10.491 -3.329 1.00 70.32 N ATOM 522 CA SER A 38 -5.221 -11.131 -2.777 1.00 5.13 C ATOM 523 C SER A 38 -4.886 -10.563 -1.401 1.00 54.34 C ATOM 524 O SER A 38 -4.485 -9.406 -1.276 1.00 74.33 O ATOM 525 CB SER A 38 -4.030 -10.946 -3.720 1.00 51.25 C ATOM 526 OG SER A 38 -3.554 -9.612 -3.684 1.00 51.40 O ATOM 0 H SER A 38 -6.213 -9.756 -4.009 1.00 70.32 H new ATOM 0 HA SER A 38 -5.430 -12.195 -2.671 1.00 5.13 H new ATOM 0 HB2 SER A 38 -3.229 -11.629 -3.438 1.00 51.25 H new ATOM 0 HB3 SER A 38 -4.324 -11.203 -4.738 1.00 51.25 H new ATOM 0 HG SER A 38 -4.059 -9.067 -4.323 1.00 51.40 H new ATOM 531 N ARG A 39 -5.057 -11.385 -0.371 1.00 31.43 N ATOM 532 CA ARG A 39 -4.775 -10.966 0.996 1.00 13.41 C ATOM 533 C ARG A 39 -3.277 -10.762 1.205 1.00 3.20 C ATOM 534 O ARG A 39 -2.456 -11.324 0.481 1.00 64.34 O ATOM 535 CB ARG A 39 -5.302 -12.003 1.990 1.00 42.22 C ATOM 536 CG ARG A 39 -6.734 -12.435 1.717 1.00 40.23 C ATOM 537 CD ARG A 39 -7.495 -12.688 3.008 1.00 54.25 C ATOM 538 NE ARG A 39 -8.389 -11.582 3.343 1.00 71.12 N ATOM 539 CZ ARG A 39 -9.394 -11.684 4.206 1.00 64.43 C ATOM 540 NH1 ARG A 39 -9.632 -12.836 4.817 1.00 21.00 N ATOM 541 NH2 ARG A 39 -10.163 -10.633 4.458 1.00 20.35 N ATOM 0 H ARG A 39 -5.390 -12.345 -0.458 1.00 31.43 H new ATOM 0 HA ARG A 39 -5.282 -10.016 1.169 1.00 13.41 H new ATOM 0 HB2 ARG A 39 -4.656 -12.880 1.964 1.00 42.22 H new ATOM 0 HB3 ARG A 39 -5.241 -11.592 2.998 1.00 42.22 H new ATOM 0 HG2 ARG A 39 -7.243 -11.665 1.138 1.00 40.23 H new ATOM 0 HG3 ARG A 39 -6.733 -13.341 1.111 1.00 40.23 H new ATOM 0 HD2 ARG A 39 -8.074 -13.606 2.913 1.00 54.25 H new ATOM 0 HD3 ARG A 39 -6.787 -12.841 3.822 1.00 54.25 H new ATOM 0 HE ARG A 39 -8.233 -10.682 2.889 1.00 71.12 H new ATOM 0 HH11 ARG A 39 -9.043 -13.646 4.625 1.00 21.00 H new ATOM 0 HH12 ARG A 39 -10.404 -12.912 5.479 1.00 21.00 H new ATOM 0 HH21 ARG A 39 -9.983 -9.745 3.989 1.00 20.35 H new ATOM 0 HH22 ARG A 39 -10.934 -10.713 5.121 1.00 20.35 H new ATOM 552 N PHE A 40 -2.929 -9.953 2.200 1.00 13.35 N ATOM 553 CA PHE A 40 -1.530 -9.673 2.504 1.00 44.04 C ATOM 554 C PHE A 40 -0.923 -10.790 3.346 1.00 15.14 C ATOM 555 O PHE A 40 0.044 -10.574 4.079 1.00 64.52 O ATOM 556 CB PHE A 40 -1.403 -8.337 3.238 1.00 31.21 C ATOM 557 CG PHE A 40 -2.080 -7.198 2.532 1.00 15.50 C ATOM 558 CD1 PHE A 40 -1.545 -6.672 1.366 1.00 71.13 C ATOM 559 CD2 PHE A 40 -3.250 -6.650 3.034 1.00 42.05 C ATOM 560 CE1 PHE A 40 -2.166 -5.624 0.714 1.00 41.32 C ATOM 561 CE2 PHE A 40 -3.875 -5.602 2.385 1.00 22.31 C ATOM 562 CZ PHE A 40 -3.332 -5.088 1.224 1.00 55.23 C ATOM 0 H PHE A 40 -3.596 -9.480 2.810 1.00 13.35 H new ATOM 0 HA PHE A 40 -0.984 -9.615 1.563 1.00 44.04 H new ATOM 0 HB2 PHE A 40 -1.828 -8.439 4.237 1.00 31.21 H new ATOM 0 HB3 PHE A 40 -0.347 -8.100 3.363 1.00 31.21 H new ATOM 0 HD1 PHE A 40 -0.633 -7.086 0.963 1.00 71.13 H new ATOM 0 HD2 PHE A 40 -3.678 -7.047 3.943 1.00 42.05 H new ATOM 0 HE1 PHE A 40 -1.740 -5.224 -0.194 1.00 41.32 H new ATOM 0 HE2 PHE A 40 -4.787 -5.185 2.786 1.00 22.31 H new ATOM 0 HZ PHE A 40 -3.818 -4.268 0.716 1.00 55.23 H new ATOM 571 N LEU A 41 -1.496 -11.983 3.238 1.00 65.21 N ATOM 572 CA LEU A 41 -1.012 -13.136 3.991 1.00 45.13 C ATOM 573 C LEU A 41 -1.483 -14.439 3.353 1.00 33.12 C ATOM 574 O LEU A 41 -0.718 -15.396 3.236 1.00 12.23 O ATOM 575 CB LEU A 41 -1.493 -13.060 5.441 1.00 63.51 C ATOM 576 CG LEU A 41 -0.689 -12.148 6.368 1.00 21.30 C ATOM 577 CD1 LEU A 41 -1.213 -12.240 7.792 1.00 73.24 C ATOM 578 CD2 LEU A 41 0.789 -12.506 6.319 1.00 43.01 C ATOM 0 H LEU A 41 -2.296 -12.178 2.637 1.00 65.21 H new ATOM 0 HA LEU A 41 0.078 -13.119 3.975 1.00 45.13 H new ATOM 0 HB2 LEU A 41 -2.529 -12.723 5.442 1.00 63.51 H new ATOM 0 HB3 LEU A 41 -1.485 -14.067 5.859 1.00 63.51 H new ATOM 0 HG LEU A 41 -0.805 -11.120 6.024 1.00 21.30 H new ATOM 0 HD11 LEU A 41 -0.629 -11.584 8.438 1.00 73.24 H new ATOM 0 HD12 LEU A 41 -2.259 -11.934 7.815 1.00 73.24 H new ATOM 0 HD13 LEU A 41 -1.127 -13.268 8.146 1.00 73.24 H new ATOM 0 HD21 LEU A 41 1.345 -11.846 6.985 1.00 43.01 H new ATOM 0 HD22 LEU A 41 0.924 -13.540 6.637 1.00 43.01 H new ATOM 0 HD23 LEU A 41 1.158 -12.388 5.300 1.00 43.01 H new ATOM 589 N ASP A 42 -2.745 -14.467 2.941 1.00 60.33 N ATOM 590 CA ASP A 42 -3.319 -15.652 2.312 1.00 23.05 C ATOM 591 C ASP A 42 -2.580 -15.993 1.021 1.00 14.31 C ATOM 592 O ASP A 42 -2.269 -17.155 0.761 1.00 43.31 O ATOM 593 CB ASP A 42 -4.804 -15.434 2.021 1.00 53.34 C ATOM 594 CG ASP A 42 -5.591 -16.729 2.024 1.00 15.11 C ATOM 595 OD1 ASP A 42 -5.231 -17.643 1.255 1.00 23.02 O ATOM 596 OD2 ASP A 42 -6.568 -16.828 2.797 1.00 71.03 O ATOM 0 H ASP A 42 -3.391 -13.683 3.031 1.00 60.33 H new ATOM 0 HA ASP A 42 -3.212 -16.488 3.004 1.00 23.05 H new ATOM 0 HB2 ASP A 42 -5.222 -14.757 2.766 1.00 53.34 H new ATOM 0 HB3 ASP A 42 -4.914 -14.948 1.052 1.00 53.34 H new ATOM 600 N ASP A 43 -2.302 -14.972 0.218 1.00 50.04 N ATOM 601 CA ASP A 43 -1.600 -15.162 -1.047 1.00 34.21 C ATOM 602 C ASP A 43 -0.302 -14.362 -1.073 1.00 51.33 C ATOM 603 O ASP A 43 0.785 -14.925 -1.212 1.00 63.12 O ATOM 604 CB ASP A 43 -2.493 -14.749 -2.218 1.00 72.42 C ATOM 605 CG ASP A 43 -2.992 -15.940 -3.013 1.00 54.44 C ATOM 606 OD1 ASP A 43 -3.926 -16.620 -2.539 1.00 12.14 O ATOM 607 OD2 ASP A 43 -2.449 -16.192 -4.109 1.00 13.14 O ATOM 0 H ASP A 43 -2.552 -14.004 0.420 1.00 50.04 H new ATOM 0 HA ASP A 43 -1.355 -16.220 -1.143 1.00 34.21 H new ATOM 0 HB2 ASP A 43 -3.346 -14.185 -1.840 1.00 72.42 H new ATOM 0 HB3 ASP A 43 -1.937 -14.082 -2.878 1.00 72.42 H new ATOM 611 N LEU A 44 -0.422 -13.046 -0.940 1.00 55.14 N ATOM 612 CA LEU A 44 0.743 -12.167 -0.950 1.00 53.14 C ATOM 613 C LEU A 44 1.755 -12.592 0.108 1.00 64.11 C ATOM 614 O LEU A 44 2.950 -12.322 -0.017 1.00 41.52 O ATOM 615 CB LEU A 44 0.314 -10.718 -0.708 1.00 74.31 C ATOM 616 CG LEU A 44 -0.841 -10.207 -1.569 1.00 50.40 C ATOM 617 CD1 LEU A 44 -1.406 -8.917 -0.995 1.00 34.42 C ATOM 618 CD2 LEU A 44 -0.383 -9.997 -3.005 1.00 45.14 C ATOM 0 H LEU A 44 -1.313 -12.564 -0.824 1.00 55.14 H new ATOM 0 HA LEU A 44 1.216 -12.242 -1.929 1.00 53.14 H new ATOM 0 HB2 LEU A 44 0.033 -10.614 0.340 1.00 74.31 H new ATOM 0 HB3 LEU A 44 1.177 -10.072 -0.873 1.00 74.31 H new ATOM 0 HG LEU A 44 -1.631 -10.958 -1.566 1.00 50.40 H new ATOM 0 HD11 LEU A 44 -2.227 -8.569 -1.622 1.00 34.42 H new ATOM 0 HD12 LEU A 44 -1.772 -9.098 0.016 1.00 34.42 H new ATOM 0 HD13 LEU A 44 -0.624 -8.158 -0.967 1.00 34.42 H new ATOM 0 HD21 LEU A 44 -1.218 -9.633 -3.604 1.00 45.14 H new ATOM 0 HD22 LEU A 44 0.425 -9.265 -3.026 1.00 45.14 H new ATOM 0 HD23 LEU A 44 -0.027 -10.942 -3.415 1.00 45.14 H new ATOM 629 N HIS A 45 1.271 -13.263 1.149 1.00 42.41 N ATOM 630 CA HIS A 45 2.135 -13.730 2.227 1.00 74.13 C ATOM 631 C HIS A 45 3.022 -12.600 2.740 1.00 52.43 C ATOM 632 O HIS A 45 4.238 -12.619 2.554 1.00 60.23 O ATOM 633 CB HIS A 45 2.999 -14.895 1.748 1.00 21.33 C ATOM 634 CG HIS A 45 2.288 -16.213 1.758 1.00 3.23 C ATOM 635 ND1 HIS A 45 2.005 -16.924 0.611 1.00 3.35 N ATOM 636 CD2 HIS A 45 1.803 -16.950 2.784 1.00 15.42 C ATOM 637 CE1 HIS A 45 1.375 -18.040 0.931 1.00 74.11 C ATOM 638 NE2 HIS A 45 1.241 -18.080 2.244 1.00 75.31 N ATOM 0 H HIS A 45 0.285 -13.495 1.268 1.00 42.41 H new ATOM 0 HA HIS A 45 1.501 -14.071 3.046 1.00 74.13 H new ATOM 0 HB2 HIS A 45 3.346 -14.687 0.736 1.00 21.33 H new ATOM 0 HB3 HIS A 45 3.884 -14.964 2.381 1.00 21.33 H new ATOM 0 HD2 HIS A 45 1.849 -16.696 3.833 1.00 15.42 H new ATOM 0 HE1 HIS A 45 1.029 -18.792 0.237 1.00 74.11 H new ATOM 0 HE2 HIS A 45 0.793 -18.829 2.771 1.00 75.31 H new ATOM 645 N MET A 46 2.404 -11.615 3.385 1.00 41.01 N ATOM 646 CA MET A 46 3.139 -10.477 3.925 1.00 54.44 C ATOM 647 C MET A 46 2.874 -10.318 5.420 1.00 24.43 C ATOM 648 O MET A 46 1.804 -9.865 5.825 1.00 13.31 O ATOM 649 CB MET A 46 2.748 -9.195 3.188 1.00 5.41 C ATOM 650 CG MET A 46 2.735 -9.344 1.675 1.00 40.10 C ATOM 651 SD MET A 46 4.017 -8.364 0.870 1.00 42.31 S ATOM 652 CE MET A 46 3.042 -7.436 -0.311 1.00 41.23 C ATOM 0 H MET A 46 1.397 -11.582 3.546 1.00 41.01 H new ATOM 0 HA MET A 46 4.203 -10.662 3.780 1.00 54.44 H new ATOM 0 HB2 MET A 46 1.759 -8.880 3.522 1.00 5.41 H new ATOM 0 HB3 MET A 46 3.444 -8.402 3.461 1.00 5.41 H new ATOM 0 HG2 MET A 46 2.869 -10.394 1.416 1.00 40.10 H new ATOM 0 HG3 MET A 46 1.759 -9.044 1.292 1.00 40.10 H new ATOM 0 HE1 MET A 46 3.677 -6.706 -0.813 1.00 41.23 H new ATOM 0 HE2 MET A 46 2.619 -8.118 -1.049 1.00 41.23 H new ATOM 0 HE3 MET A 46 2.236 -6.919 0.209 1.00 41.23 H new ATOM 660 N SER A 47 3.855 -10.696 6.232 1.00 71.21 N ATOM 661 CA SER A 47 3.726 -10.599 7.682 1.00 23.40 C ATOM 662 C SER A 47 3.396 -9.171 8.104 1.00 34.30 C ATOM 663 O SER A 47 3.655 -8.220 7.368 1.00 50.44 O ATOM 664 CB SER A 47 5.018 -11.060 8.362 1.00 42.42 C ATOM 665 OG SER A 47 5.380 -12.363 7.940 1.00 72.45 O ATOM 0 H SER A 47 4.747 -11.072 5.912 1.00 71.21 H new ATOM 0 HA SER A 47 2.908 -11.249 7.994 1.00 23.40 H new ATOM 0 HB2 SER A 47 5.823 -10.363 8.130 1.00 42.42 H new ATOM 0 HB3 SER A 47 4.887 -11.048 9.444 1.00 42.42 H new ATOM 0 HG SER A 47 6.209 -12.633 8.387 1.00 72.45 H new ATOM 670 N SER A 48 2.824 -9.030 9.295 1.00 20.11 N ATOM 671 CA SER A 48 2.455 -7.720 9.816 1.00 41.42 C ATOM 672 C SER A 48 3.604 -6.729 9.658 1.00 42.23 C ATOM 673 O SER A 48 3.391 -5.561 9.332 1.00 44.50 O ATOM 674 CB SER A 48 2.056 -7.826 11.289 1.00 14.41 C ATOM 675 OG SER A 48 3.107 -8.378 12.063 1.00 62.23 O ATOM 0 H SER A 48 2.606 -9.808 9.918 1.00 20.11 H new ATOM 0 HA SER A 48 1.603 -7.356 9.242 1.00 41.42 H new ATOM 0 HB2 SER A 48 1.798 -6.838 11.671 1.00 14.41 H new ATOM 0 HB3 SER A 48 1.165 -8.447 11.384 1.00 14.41 H new ATOM 0 HG SER A 48 2.828 -8.434 13.001 1.00 62.23 H new ATOM 680 N ILE A 49 4.823 -7.205 9.891 1.00 14.40 N ATOM 681 CA ILE A 49 6.006 -6.362 9.774 1.00 10.00 C ATOM 682 C ILE A 49 6.340 -6.082 8.313 1.00 51.10 C ATOM 683 O ILE A 49 6.746 -4.975 7.957 1.00 72.04 O ATOM 684 CB ILE A 49 7.227 -7.009 10.453 1.00 2.23 C ATOM 685 CG1 ILE A 49 6.943 -7.256 11.936 1.00 1.35 C ATOM 686 CG2 ILE A 49 8.457 -6.129 10.282 1.00 75.21 C ATOM 687 CD1 ILE A 49 6.499 -6.016 12.680 1.00 72.13 C ATOM 0 H ILE A 49 5.017 -8.169 10.162 1.00 14.40 H new ATOM 0 HA ILE A 49 5.775 -5.423 10.277 1.00 10.00 H new ATOM 0 HB ILE A 49 7.423 -7.969 9.976 1.00 2.23 H new ATOM 0 HG12 ILE A 49 6.172 -8.021 12.028 1.00 1.35 H new ATOM 0 HG13 ILE A 49 7.842 -7.652 12.409 1.00 1.35 H new ATOM 0 HG21 ILE A 49 9.312 -6.600 10.767 1.00 75.21 H new ATOM 0 HG22 ILE A 49 8.668 -6.001 9.220 1.00 75.21 H new ATOM 0 HG23 ILE A 49 8.273 -5.155 10.736 1.00 75.21 H new ATOM 0 HD11 ILE A 49 6.315 -6.265 13.725 1.00 72.13 H new ATOM 0 HD12 ILE A 49 7.279 -5.257 12.619 1.00 72.13 H new ATOM 0 HD13 ILE A 49 5.583 -5.632 12.232 1.00 72.13 H new ATOM 698 N THR A 50 6.164 -7.093 7.467 1.00 15.02 N ATOM 699 CA THR A 50 6.445 -6.956 6.044 1.00 33.32 C ATOM 700 C THR A 50 5.492 -5.962 5.388 1.00 62.31 C ATOM 701 O THR A 50 5.903 -5.143 4.567 1.00 15.41 O ATOM 702 CB THR A 50 6.337 -8.310 5.318 1.00 44.45 C ATOM 703 OG1 THR A 50 7.302 -9.227 5.844 1.00 72.53 O ATOM 704 CG2 THR A 50 6.555 -8.140 3.821 1.00 75.33 C ATOM 0 H THR A 50 5.828 -8.016 7.744 1.00 15.02 H new ATOM 0 HA THR A 50 7.467 -6.586 5.957 1.00 33.32 H new ATOM 0 HB THR A 50 5.334 -8.706 5.481 1.00 44.45 H new ATOM 0 HG1 THR A 50 7.225 -10.086 5.378 1.00 72.53 H new ATOM 0 HG21 THR A 50 6.474 -9.109 3.329 1.00 75.33 H new ATOM 0 HG22 THR A 50 5.801 -7.464 3.418 1.00 75.33 H new ATOM 0 HG23 THR A 50 7.547 -7.724 3.643 1.00 75.33 H new ATOM 712 N VAL A 51 4.217 -6.042 5.756 1.00 1.44 N ATOM 713 CA VAL A 51 3.206 -5.148 5.204 1.00 74.10 C ATOM 714 C VAL A 51 3.555 -3.689 5.476 1.00 42.31 C ATOM 715 O VAL A 51 3.540 -2.857 4.569 1.00 63.43 O ATOM 716 CB VAL A 51 1.812 -5.448 5.789 1.00 22.12 C ATOM 717 CG1 VAL A 51 0.727 -4.805 4.939 1.00 34.54 C ATOM 718 CG2 VAL A 51 1.594 -6.950 5.900 1.00 30.22 C ATOM 0 H VAL A 51 3.860 -6.716 6.433 1.00 1.44 H new ATOM 0 HA VAL A 51 3.186 -5.319 4.128 1.00 74.10 H new ATOM 0 HB VAL A 51 1.757 -5.021 6.790 1.00 22.12 H new ATOM 0 HG11 VAL A 51 -0.250 -5.027 5.367 1.00 34.54 H new ATOM 0 HG12 VAL A 51 0.875 -3.725 4.915 1.00 34.54 H new ATOM 0 HG13 VAL A 51 0.777 -5.201 3.925 1.00 34.54 H new ATOM 0 HG21 VAL A 51 0.605 -7.144 6.315 1.00 30.22 H new ATOM 0 HG22 VAL A 51 1.668 -7.402 4.911 1.00 30.22 H new ATOM 0 HG23 VAL A 51 2.353 -7.380 6.554 1.00 30.22 H new ATOM 728 N GLY A 52 3.870 -3.385 6.731 1.00 53.40 N ATOM 729 CA GLY A 52 4.219 -2.026 7.100 1.00 4.01 C ATOM 730 C GLY A 52 5.393 -1.492 6.303 1.00 3.03 C ATOM 731 O GLY A 52 5.506 -0.286 6.086 1.00 3.32 O ATOM 0 H GLY A 52 3.890 -4.056 7.499 1.00 53.40 H new ATOM 0 HA2 GLY A 52 3.356 -1.378 6.948 1.00 4.01 H new ATOM 0 HA3 GLY A 52 4.460 -1.992 8.163 1.00 4.01 H new ATOM 735 N GLN A 53 6.269 -2.392 5.867 1.00 24.13 N ATOM 736 CA GLN A 53 7.441 -2.004 5.092 1.00 1.54 C ATOM 737 C GLN A 53 7.033 -1.432 3.738 1.00 43.44 C ATOM 738 O GLN A 53 7.555 -0.403 3.304 1.00 63.35 O ATOM 739 CB GLN A 53 8.368 -3.204 4.892 1.00 33.13 C ATOM 740 CG GLN A 53 8.756 -3.895 6.190 1.00 12.30 C ATOM 741 CD GLN A 53 10.213 -3.682 6.552 1.00 4.03 C ATOM 742 OE1 GLN A 53 10.652 -2.553 6.774 1.00 45.14 O ATOM 743 NE2 GLN A 53 10.973 -4.770 6.612 1.00 62.15 N ATOM 0 H GLN A 53 6.189 -3.394 6.037 1.00 24.13 H new ATOM 0 HA GLN A 53 7.973 -1.232 5.648 1.00 1.54 H new ATOM 0 HB2 GLN A 53 7.879 -3.926 4.238 1.00 33.13 H new ATOM 0 HB3 GLN A 53 9.272 -2.873 4.382 1.00 33.13 H new ATOM 0 HG2 GLN A 53 8.127 -3.522 6.998 1.00 12.30 H new ATOM 0 HG3 GLN A 53 8.560 -4.964 6.101 1.00 12.30 H new ATOM 0 HE21 GLN A 53 10.568 -5.686 6.421 1.00 62.15 H new ATOM 0 HE22 GLN A 53 11.962 -4.689 6.850 1.00 62.15 H new ATOM 750 N LEU A 54 6.098 -2.103 3.075 1.00 71.31 N ATOM 751 CA LEU A 54 5.620 -1.662 1.770 1.00 41.24 C ATOM 752 C LEU A 54 4.579 -0.555 1.916 1.00 35.24 C ATOM 753 O LEU A 54 4.487 0.339 1.075 1.00 42.12 O ATOM 754 CB LEU A 54 5.021 -2.840 0.999 1.00 1.31 C ATOM 755 CG LEU A 54 3.536 -3.114 1.238 1.00 53.13 C ATOM 756 CD1 LEU A 54 2.683 -2.340 0.245 1.00 23.20 C ATOM 757 CD2 LEU A 54 3.247 -4.605 1.145 1.00 44.54 C ATOM 0 H LEU A 54 5.656 -2.955 3.420 1.00 71.31 H new ATOM 0 HA LEU A 54 6.470 -1.266 1.215 1.00 41.24 H new ATOM 0 HB2 LEU A 54 5.171 -2.665 -0.066 1.00 1.31 H new ATOM 0 HB3 LEU A 54 5.582 -3.739 1.256 1.00 1.31 H new ATOM 0 HG LEU A 54 3.281 -2.777 2.243 1.00 53.13 H new ATOM 0 HD11 LEU A 54 1.629 -2.548 0.431 1.00 23.20 H new ATOM 0 HD12 LEU A 54 2.868 -1.272 0.361 1.00 23.20 H new ATOM 0 HD13 LEU A 54 2.939 -2.644 -0.770 1.00 23.20 H new ATOM 0 HD21 LEU A 54 2.185 -4.781 1.318 1.00 44.54 H new ATOM 0 HD22 LEU A 54 3.518 -4.967 0.153 1.00 44.54 H new ATOM 0 HD23 LEU A 54 3.830 -5.136 1.897 1.00 44.54 H new ATOM 768 N VAL A 55 3.801 -0.620 2.992 1.00 45.21 N ATOM 769 CA VAL A 55 2.771 0.378 3.250 1.00 53.13 C ATOM 770 C VAL A 55 3.374 1.773 3.370 1.00 31.11 C ATOM 771 O VAL A 55 2.775 2.758 2.942 1.00 30.00 O ATOM 772 CB VAL A 55 1.988 0.057 4.538 1.00 11.24 C ATOM 773 CG1 VAL A 55 1.247 1.289 5.034 1.00 42.12 C ATOM 774 CG2 VAL A 55 1.025 -1.097 4.302 1.00 11.50 C ATOM 0 H VAL A 55 3.865 -1.353 3.698 1.00 45.21 H new ATOM 0 HA VAL A 55 2.087 0.353 2.402 1.00 53.13 H new ATOM 0 HB VAL A 55 2.698 -0.244 5.309 1.00 11.24 H new ATOM 0 HG11 VAL A 55 0.700 1.043 5.944 1.00 42.12 H new ATOM 0 HG12 VAL A 55 1.963 2.084 5.245 1.00 42.12 H new ATOM 0 HG13 VAL A 55 0.547 1.625 4.269 1.00 42.12 H new ATOM 0 HG21 VAL A 55 0.480 -1.310 5.222 1.00 11.50 H new ATOM 0 HG22 VAL A 55 0.319 -0.827 3.517 1.00 11.50 H new ATOM 0 HG23 VAL A 55 1.585 -1.982 3.998 1.00 11.50 H new ATOM 784 N ASN A 56 4.565 1.848 3.954 1.00 34.23 N ATOM 785 CA ASN A 56 5.251 3.123 4.131 1.00 34.13 C ATOM 786 C ASN A 56 5.667 3.708 2.785 1.00 34.42 C ATOM 787 O ASN A 56 5.701 4.925 2.611 1.00 11.54 O ATOM 788 CB ASN A 56 6.481 2.945 5.025 1.00 43.25 C ATOM 789 CG ASN A 56 6.170 3.186 6.489 1.00 12.03 C ATOM 790 OD1 ASN A 56 6.749 4.072 7.120 1.00 62.23 O ATOM 791 ND2 ASN A 56 5.254 2.397 7.038 1.00 64.40 N ATOM 0 H ASN A 56 5.075 1.041 4.313 1.00 34.23 H new ATOM 0 HA ASN A 56 4.559 3.816 4.610 1.00 34.13 H new ATOM 0 HB2 ASN A 56 6.874 1.936 4.901 1.00 43.25 H new ATOM 0 HB3 ASN A 56 7.263 3.633 4.704 1.00 43.25 H new ATOM 0 HD21 ASN A 56 5.005 2.512 8.020 1.00 64.40 H new ATOM 0 HD22 ASN A 56 4.800 1.676 6.477 1.00 64.40 H new ATOM 797 N GLU A 57 5.981 2.830 1.837 1.00 42.43 N ATOM 798 CA GLU A 57 6.394 3.261 0.506 1.00 33.15 C ATOM 799 C GLU A 57 5.223 3.873 -0.256 1.00 0.44 C ATOM 800 O GLU A 57 5.399 4.808 -1.037 1.00 50.34 O ATOM 801 CB GLU A 57 6.967 2.080 -0.281 1.00 14.44 C ATOM 802 CG GLU A 57 7.506 2.465 -1.649 1.00 60.43 C ATOM 803 CD GLU A 57 8.610 3.502 -1.572 1.00 72.45 C ATOM 804 OE1 GLU A 57 9.755 3.127 -1.243 1.00 42.55 O ATOM 805 OE2 GLU A 57 8.327 4.688 -1.840 1.00 71.04 O ATOM 0 H GLU A 57 5.957 1.818 1.965 1.00 42.43 H new ATOM 0 HA GLU A 57 7.166 4.021 0.622 1.00 33.15 H new ATOM 0 HB2 GLU A 57 7.767 1.621 0.300 1.00 14.44 H new ATOM 0 HB3 GLU A 57 6.190 1.325 -0.405 1.00 14.44 H new ATOM 0 HG2 GLU A 57 7.884 1.574 -2.150 1.00 60.43 H new ATOM 0 HG3 GLU A 57 6.691 2.853 -2.260 1.00 60.43 H new ATOM 810 N ALA A 58 4.029 3.340 -0.023 1.00 25.41 N ATOM 811 CA ALA A 58 2.828 3.833 -0.687 1.00 33.20 C ATOM 812 C ALA A 58 2.468 5.232 -0.198 1.00 73.43 C ATOM 813 O ALA A 58 2.272 6.148 -0.996 1.00 74.04 O ATOM 814 CB ALA A 58 1.667 2.876 -0.459 1.00 34.44 C ATOM 0 H ALA A 58 3.867 2.566 0.621 1.00 25.41 H new ATOM 0 HA ALA A 58 3.031 3.890 -1.756 1.00 33.20 H new ATOM 0 HB1 ALA A 58 0.777 3.257 -0.960 1.00 34.44 H new ATOM 0 HB2 ALA A 58 1.919 1.895 -0.863 1.00 34.44 H new ATOM 0 HB3 ALA A 58 1.472 2.789 0.610 1.00 34.44 H new ATOM 820 N ALA A 59 2.380 5.388 1.120 1.00 3.34 N ATOM 821 CA ALA A 59 2.043 6.676 1.714 1.00 34.45 C ATOM 822 C ALA A 59 2.943 7.782 1.175 1.00 13.13 C ATOM 823 O ALA A 59 2.486 8.895 0.914 1.00 20.24 O ATOM 824 CB ALA A 59 2.148 6.600 3.231 1.00 31.23 C ATOM 0 H ALA A 59 2.537 4.640 1.795 1.00 3.34 H new ATOM 0 HA ALA A 59 1.015 6.916 1.442 1.00 34.45 H new ATOM 0 HB1 ALA A 59 1.894 7.568 3.662 1.00 31.23 H new ATOM 0 HB2 ALA A 59 1.459 5.844 3.606 1.00 31.23 H new ATOM 0 HB3 ALA A 59 3.167 6.334 3.512 1.00 31.23 H new ATOM 830 N ARG A 60 4.225 7.469 1.012 1.00 51.34 N ATOM 831 CA ARG A 60 5.190 8.438 0.505 1.00 41.23 C ATOM 832 C ARG A 60 4.785 8.934 -0.881 1.00 35.03 C ATOM 833 O ARG A 60 4.838 10.131 -1.161 1.00 45.03 O ATOM 834 CB ARG A 60 6.586 7.817 0.449 1.00 62.31 C ATOM 835 CG ARG A 60 7.656 8.770 -0.059 1.00 73.31 C ATOM 836 CD ARG A 60 8.600 9.192 1.057 1.00 24.45 C ATOM 837 NE ARG A 60 9.905 8.542 0.945 1.00 41.45 N ATOM 838 CZ ARG A 60 10.990 8.961 1.584 1.00 1.45 C ATOM 839 NH1 ARG A 60 10.931 10.023 2.376 1.00 61.24 N ATOM 840 NH2 ARG A 60 12.141 8.318 1.430 1.00 12.22 N ATOM 0 H ARG A 60 4.619 6.552 1.224 1.00 51.34 H new ATOM 0 HA ARG A 60 5.206 9.289 1.186 1.00 41.23 H new ATOM 0 HB2 ARG A 60 6.862 7.473 1.446 1.00 62.31 H new ATOM 0 HB3 ARG A 60 6.558 6.938 -0.195 1.00 62.31 H new ATOM 0 HG2 ARG A 60 8.224 8.290 -0.856 1.00 73.31 H new ATOM 0 HG3 ARG A 60 7.184 9.652 -0.491 1.00 73.31 H new ATOM 0 HD2 ARG A 60 8.730 10.274 1.032 1.00 24.45 H new ATOM 0 HD3 ARG A 60 8.154 8.947 2.021 1.00 24.45 H new ATOM 0 HE ARG A 60 9.986 7.722 0.343 1.00 41.45 H new ATOM 0 HH11 ARG A 60 10.049 10.521 2.496 1.00 61.24 H new ATOM 0 HH12 ARG A 60 11.767 10.341 2.865 1.00 61.24 H new ATOM 0 HH21 ARG A 60 12.192 7.502 0.820 1.00 12.22 H new ATOM 0 HH22 ARG A 60 12.975 8.640 1.921 1.00 12.22 H new ATOM 851 N ALA A 61 4.383 8.005 -1.741 1.00 22.10 N ATOM 852 CA ALA A 61 3.969 8.348 -3.096 1.00 22.41 C ATOM 853 C ALA A 61 2.651 9.116 -3.090 1.00 32.42 C ATOM 854 O ALA A 61 2.477 10.074 -3.842 1.00 31.03 O ATOM 855 CB ALA A 61 3.845 7.090 -3.944 1.00 2.32 C ATOM 0 H ALA A 61 4.335 7.009 -1.524 1.00 22.10 H new ATOM 0 HA ALA A 61 4.733 8.993 -3.531 1.00 22.41 H new ATOM 0 HB1 ALA A 61 3.535 7.361 -4.953 1.00 2.32 H new ATOM 0 HB2 ALA A 61 4.808 6.582 -3.984 1.00 2.32 H new ATOM 0 HB3 ALA A 61 3.102 6.425 -3.503 1.00 2.32 H new ATOM 861 N MET A 62 1.726 8.687 -2.237 1.00 3.20 N ATOM 862 CA MET A 62 0.424 9.336 -2.134 1.00 21.42 C ATOM 863 C MET A 62 0.546 10.694 -1.450 1.00 3.04 C ATOM 864 O MET A 62 -0.412 11.464 -1.404 1.00 40.33 O ATOM 865 CB MET A 62 -0.551 8.448 -1.358 1.00 43.14 C ATOM 866 CG MET A 62 -0.711 7.058 -1.953 1.00 21.41 C ATOM 867 SD MET A 62 -1.095 7.095 -3.715 1.00 34.33 S ATOM 868 CE MET A 62 -2.333 8.387 -3.764 1.00 2.44 C ATOM 0 H MET A 62 1.854 7.894 -1.608 1.00 3.20 H new ATOM 0 HA MET A 62 0.041 9.490 -3.143 1.00 21.42 H new ATOM 0 HB2 MET A 62 -0.205 8.356 -0.328 1.00 43.14 H new ATOM 0 HB3 MET A 62 -1.526 8.935 -1.325 1.00 43.14 H new ATOM 0 HG2 MET A 62 0.208 6.493 -1.797 1.00 21.41 H new ATOM 0 HG3 MET A 62 -1.504 6.530 -1.424 1.00 21.41 H new ATOM 0 HE1 MET A 62 -2.709 8.492 -4.782 1.00 2.44 H new ATOM 0 HE2 MET A 62 -3.156 8.128 -3.098 1.00 2.44 H new ATOM 0 HE3 MET A 62 -1.889 9.329 -3.443 1.00 2.44 H new ATOM 876 N GLY A 63 1.732 10.981 -0.920 1.00 61.13 N ATOM 877 CA GLY A 63 1.956 12.246 -0.247 1.00 73.13 C ATOM 878 C GLY A 63 1.310 12.296 1.123 1.00 33.23 C ATOM 879 O GLY A 63 0.645 13.273 1.470 1.00 22.01 O ATOM 0 H GLY A 63 2.541 10.360 -0.945 1.00 61.13 H new ATOM 0 HA2 GLY A 63 3.028 12.416 -0.146 1.00 73.13 H new ATOM 0 HA3 GLY A 63 1.562 13.056 -0.861 1.00 73.13 H new ATOM 883 N LEU A 64 1.504 11.240 1.905 1.00 54.12 N ATOM 884 CA LEU A 64 0.933 11.166 3.247 1.00 3.04 C ATOM 885 C LEU A 64 2.019 11.304 4.309 1.00 1.55 C ATOM 886 O LEU A 64 3.133 11.741 4.019 1.00 30.12 O ATOM 887 CB LEU A 64 0.187 9.843 3.433 1.00 1.34 C ATOM 888 CG LEU A 64 -0.611 9.347 2.226 1.00 34.22 C ATOM 889 CD1 LEU A 64 -1.485 8.165 2.615 1.00 43.21 C ATOM 890 CD2 LEU A 64 -1.456 10.472 1.648 1.00 43.12 C ATOM 0 H LEU A 64 2.052 10.423 1.634 1.00 54.12 H new ATOM 0 HA LEU A 64 0.231 11.992 3.362 1.00 3.04 H new ATOM 0 HB2 LEU A 64 0.912 9.075 3.705 1.00 1.34 H new ATOM 0 HB3 LEU A 64 -0.496 9.949 4.276 1.00 1.34 H new ATOM 0 HG LEU A 64 0.090 9.017 1.460 1.00 34.22 H new ATOM 0 HD11 LEU A 64 -2.046 7.825 1.744 1.00 43.21 H new ATOM 0 HD12 LEU A 64 -0.857 7.353 2.982 1.00 43.21 H new ATOM 0 HD13 LEU A 64 -2.180 8.468 3.398 1.00 43.21 H new ATOM 0 HD21 LEU A 64 -2.017 10.102 0.790 1.00 43.12 H new ATOM 0 HD22 LEU A 64 -2.150 10.833 2.407 1.00 43.12 H new ATOM 0 HD23 LEU A 64 -0.807 11.289 1.332 1.00 43.12 H new ATOM 901 N SER A 65 1.687 10.927 5.540 1.00 1.35 N ATOM 902 CA SER A 65 2.634 11.011 6.645 1.00 13.33 C ATOM 903 C SER A 65 2.237 10.063 7.773 1.00 60.52 C ATOM 904 O SER A 65 2.839 9.004 7.948 1.00 74.44 O ATOM 905 CB SER A 65 2.709 12.445 7.173 1.00 53.31 C ATOM 906 OG SER A 65 3.281 12.483 8.469 1.00 32.23 O ATOM 0 H SER A 65 0.770 10.561 5.797 1.00 1.35 H new ATOM 0 HA SER A 65 3.615 10.716 6.273 1.00 13.33 H new ATOM 0 HB2 SER A 65 3.302 13.056 6.492 1.00 53.31 H new ATOM 0 HB3 SER A 65 1.709 12.878 7.201 1.00 53.31 H new ATOM 0 HG SER A 65 3.319 13.411 8.783 1.00 32.23 H new ATOM 911 N ALA A 66 1.220 10.452 8.535 1.00 42.13 N ATOM 912 CA ALA A 66 0.740 9.637 9.644 1.00 21.45 C ATOM 913 C ALA A 66 -0.153 8.505 9.147 1.00 15.00 C ATOM 914 O ALA A 66 -0.462 7.573 9.891 1.00 42.52 O ATOM 915 CB ALA A 66 -0.007 10.500 10.649 1.00 42.50 C ATOM 0 H ALA A 66 0.712 11.327 8.404 1.00 42.13 H new ATOM 0 HA ALA A 66 1.605 9.192 10.137 1.00 21.45 H new ATOM 0 HB1 ALA A 66 -0.360 9.878 11.472 1.00 42.50 H new ATOM 0 HB2 ALA A 66 0.662 11.269 11.036 1.00 42.50 H new ATOM 0 HB3 ALA A 66 -0.859 10.973 10.160 1.00 42.50 H new ATOM 921 N VAL A 67 -0.565 8.593 7.887 1.00 43.44 N ATOM 922 CA VAL A 67 -1.424 7.576 7.291 1.00 71.40 C ATOM 923 C VAL A 67 -0.748 6.210 7.305 1.00 24.22 C ATOM 924 O VAL A 67 -1.403 5.179 7.149 1.00 13.55 O ATOM 925 CB VAL A 67 -1.799 7.937 5.842 1.00 2.34 C ATOM 926 CG1 VAL A 67 -2.683 6.858 5.235 1.00 42.22 C ATOM 927 CG2 VAL A 67 -2.487 9.293 5.792 1.00 3.14 C ATOM 0 H VAL A 67 -0.318 9.358 7.259 1.00 43.44 H new ATOM 0 HA VAL A 67 -2.332 7.535 7.893 1.00 71.40 H new ATOM 0 HB VAL A 67 -0.884 7.998 5.252 1.00 2.34 H new ATOM 0 HG11 VAL A 67 -2.938 7.130 4.211 1.00 42.22 H new ATOM 0 HG12 VAL A 67 -2.149 5.908 5.236 1.00 42.22 H new ATOM 0 HG13 VAL A 67 -3.596 6.762 5.823 1.00 42.22 H new ATOM 0 HG21 VAL A 67 -2.745 9.532 4.760 1.00 3.14 H new ATOM 0 HG22 VAL A 67 -3.394 9.263 6.395 1.00 3.14 H new ATOM 0 HG23 VAL A 67 -1.815 10.056 6.184 1.00 3.14 H new ATOM 937 N ALA A 68 0.568 6.208 7.492 1.00 40.41 N ATOM 938 CA ALA A 68 1.334 4.968 7.528 1.00 51.31 C ATOM 939 C ALA A 68 0.607 3.898 8.334 1.00 14.33 C ATOM 940 O ALA A 68 0.551 3.964 9.562 1.00 40.12 O ATOM 941 CB ALA A 68 2.718 5.220 8.107 1.00 61.34 C ATOM 0 H ALA A 68 1.126 7.052 7.621 1.00 40.41 H new ATOM 0 HA ALA A 68 1.441 4.605 6.506 1.00 51.31 H new ATOM 0 HB1 ALA A 68 3.279 4.286 8.128 1.00 61.34 H new ATOM 0 HB2 ALA A 68 3.245 5.946 7.488 1.00 61.34 H new ATOM 0 HB3 ALA A 68 2.623 5.609 9.121 1.00 61.34 H new ATOM 947 N MET A 69 0.051 2.913 7.637 1.00 2.10 N ATOM 948 CA MET A 69 -0.672 1.828 8.290 1.00 65.05 C ATOM 949 C MET A 69 -1.924 2.352 8.987 1.00 64.54 C ATOM 950 O MET A 69 -1.924 2.635 10.184 1.00 75.50 O ATOM 951 CB MET A 69 0.231 1.120 9.302 1.00 11.30 C ATOM 952 CG MET A 69 1.663 0.945 8.821 1.00 42.34 C ATOM 953 SD MET A 69 2.441 -0.540 9.483 1.00 32.42 S ATOM 954 CE MET A 69 1.352 -1.808 8.841 1.00 62.35 C ATOM 0 H MET A 69 0.087 2.844 6.620 1.00 2.10 H new ATOM 0 HA MET A 69 -0.975 1.114 7.524 1.00 65.05 H new ATOM 0 HB2 MET A 69 0.236 1.688 10.232 1.00 11.30 H new ATOM 0 HB3 MET A 69 -0.190 0.140 9.529 1.00 11.30 H new ATOM 0 HG2 MET A 69 1.674 0.901 7.732 1.00 42.34 H new ATOM 0 HG3 MET A 69 2.249 1.817 9.111 1.00 42.34 H new ATOM 0 HE1 MET A 69 1.920 -2.721 8.666 1.00 62.35 H new ATOM 0 HE2 MET A 69 0.559 -2.006 9.563 1.00 62.35 H new ATOM 0 HE3 MET A 69 0.912 -1.469 7.903 1.00 62.35 H new ATOM 962 N PRO A 70 -3.018 2.483 8.221 1.00 22.54 N ATOM 963 CA PRO A 70 -4.296 2.972 8.745 1.00 43.12 C ATOM 964 C PRO A 70 -4.958 1.973 9.687 1.00 12.24 C ATOM 965 O PRO A 70 -5.558 2.355 10.693 1.00 24.31 O ATOM 966 CB PRO A 70 -5.146 3.162 7.485 1.00 31.55 C ATOM 967 CG PRO A 70 -4.563 2.219 6.490 1.00 2.01 C ATOM 968 CD PRO A 70 -3.090 2.164 6.786 1.00 64.42 C ATOM 0 HA PRO A 70 -4.173 3.880 9.335 1.00 43.12 H new ATOM 0 HB2 PRO A 70 -6.195 2.936 7.677 1.00 31.55 H new ATOM 0 HB3 PRO A 70 -5.101 4.191 7.129 1.00 31.55 H new ATOM 0 HG2 PRO A 70 -5.016 1.231 6.577 1.00 2.01 H new ATOM 0 HG3 PRO A 70 -4.744 2.564 5.472 1.00 2.01 H new ATOM 0 HD2 PRO A 70 -2.674 1.180 6.572 1.00 64.42 H new ATOM 0 HD3 PRO A 70 -2.533 2.883 6.186 1.00 64.42 H new ATOM 973 N THR A 71 -4.843 0.690 9.358 1.00 25.14 N ATOM 974 CA THR A 71 -5.430 -0.364 10.175 1.00 72.22 C ATOM 975 C THR A 71 -4.776 -1.711 9.887 1.00 33.22 C ATOM 976 O THR A 71 -3.912 -1.819 9.019 1.00 51.11 O ATOM 977 CB THR A 71 -6.947 -0.482 9.937 1.00 2.22 C ATOM 978 OG1 THR A 71 -7.531 -1.350 10.912 1.00 33.41 O ATOM 979 CG2 THR A 71 -7.235 -1.012 8.540 1.00 74.14 C ATOM 0 H THR A 71 -4.348 0.356 8.531 1.00 25.14 H new ATOM 0 HA THR A 71 -5.254 -0.092 11.216 1.00 72.22 H new ATOM 0 HB THR A 71 -7.385 0.512 10.029 1.00 2.22 H new ATOM 0 HG1 THR A 71 -8.496 -1.418 10.754 1.00 33.41 H new ATOM 0 HG21 THR A 71 -8.313 -1.087 8.394 1.00 74.14 H new ATOM 0 HG22 THR A 71 -6.815 -0.332 7.799 1.00 74.14 H new ATOM 0 HG23 THR A 71 -6.784 -1.997 8.425 1.00 74.14 H new ATOM 987 N ASN A 72 -5.196 -2.736 10.622 1.00 75.52 N ATOM 988 CA ASN A 72 -4.651 -4.077 10.446 1.00 4.14 C ATOM 989 C ASN A 72 -4.703 -4.497 8.979 1.00 35.34 C ATOM 990 O ASN A 72 -5.676 -4.221 8.278 1.00 30.11 O ATOM 991 CB ASN A 72 -5.423 -5.082 11.303 1.00 40.21 C ATOM 992 CG ASN A 72 -4.632 -6.350 11.561 1.00 75.22 C ATOM 993 OD1 ASN A 72 -3.434 -6.301 11.837 1.00 74.12 O ATOM 994 ND2 ASN A 72 -5.302 -7.493 11.473 1.00 43.41 N ATOM 0 H ASN A 72 -5.912 -2.663 11.345 1.00 75.52 H new ATOM 0 HA ASN A 72 -3.609 -4.063 10.766 1.00 4.14 H new ATOM 0 HB2 ASN A 72 -5.683 -4.619 12.255 1.00 40.21 H new ATOM 0 HB3 ASN A 72 -6.359 -5.336 10.806 1.00 40.21 H new ATOM 0 HD21 ASN A 72 -4.823 -8.379 11.637 1.00 43.41 H new ATOM 0 HD22 ASN A 72 -6.295 -7.485 11.241 1.00 43.41 H new ATOM 1000 N PHE A 73 -3.649 -5.165 8.523 1.00 4.11 N ATOM 1001 CA PHE A 73 -3.573 -5.623 7.140 1.00 52.44 C ATOM 1002 C PHE A 73 -3.482 -7.144 7.076 1.00 25.44 C ATOM 1003 O PHE A 73 -3.694 -7.745 6.023 1.00 52.04 O ATOM 1004 CB PHE A 73 -2.366 -4.997 6.439 1.00 42.44 C ATOM 1005 CG PHE A 73 -2.599 -3.580 5.995 1.00 30.23 C ATOM 1006 CD1 PHE A 73 -3.592 -3.282 5.076 1.00 32.31 C ATOM 1007 CD2 PHE A 73 -1.824 -2.547 6.498 1.00 24.30 C ATOM 1008 CE1 PHE A 73 -3.807 -1.980 4.667 1.00 42.51 C ATOM 1009 CE2 PHE A 73 -2.035 -1.243 6.092 1.00 13.25 C ATOM 1010 CZ PHE A 73 -3.029 -0.959 5.176 1.00 31.24 C ATOM 0 H PHE A 73 -2.835 -5.402 9.091 1.00 4.11 H new ATOM 0 HA PHE A 73 -4.483 -5.310 6.628 1.00 52.44 H new ATOM 0 HB2 PHE A 73 -1.511 -5.022 7.114 1.00 42.44 H new ATOM 0 HB3 PHE A 73 -2.105 -5.603 5.571 1.00 42.44 H new ATOM 0 HD1 PHE A 73 -4.205 -4.076 4.675 1.00 32.31 H new ATOM 0 HD2 PHE A 73 -1.046 -2.764 7.215 1.00 24.30 H new ATOM 0 HE1 PHE A 73 -4.584 -1.761 3.949 1.00 42.51 H new ATOM 0 HE2 PHE A 73 -1.423 -0.447 6.490 1.00 13.25 H new ATOM 0 HZ PHE A 73 -3.197 0.059 4.859 1.00 31.24 H new ATOM 1019 N ALA A 74 -3.161 -7.761 8.209 1.00 42.23 N ATOM 1020 CA ALA A 74 -3.042 -9.211 8.282 1.00 2.13 C ATOM 1021 C ALA A 74 -4.330 -9.892 7.830 1.00 23.13 C ATOM 1022 O ALA A 74 -4.334 -11.077 7.496 1.00 4.42 O ATOM 1023 CB ALA A 74 -2.684 -9.641 9.696 1.00 15.44 C ATOM 0 H ALA A 74 -2.979 -7.278 9.089 1.00 42.23 H new ATOM 0 HA ALA A 74 -2.243 -9.519 7.607 1.00 2.13 H new ATOM 0 HB1 ALA A 74 -2.598 -10.727 9.735 1.00 15.44 H new ATOM 0 HB2 ALA A 74 -1.734 -9.191 9.983 1.00 15.44 H new ATOM 0 HB3 ALA A 74 -3.463 -9.313 10.384 1.00 15.44 H new ATOM 1029 N THR A 75 -5.422 -9.134 7.823 1.00 22.30 N ATOM 1030 CA THR A 75 -6.717 -9.665 7.415 1.00 41.52 C ATOM 1031 C THR A 75 -7.346 -8.802 6.327 1.00 11.43 C ATOM 1032 O THR A 75 -8.520 -8.965 5.993 1.00 54.11 O ATOM 1033 CB THR A 75 -7.688 -9.758 8.607 1.00 41.51 C ATOM 1034 OG1 THR A 75 -8.945 -10.290 8.175 1.00 30.44 O ATOM 1035 CG2 THR A 75 -7.901 -8.390 9.237 1.00 14.34 C ATOM 0 H THR A 75 -5.436 -8.151 8.095 1.00 22.30 H new ATOM 0 HA THR A 75 -6.539 -10.667 7.023 1.00 41.52 H new ATOM 0 HB THR A 75 -7.251 -10.421 9.353 1.00 41.51 H new ATOM 0 HG1 THR A 75 -9.245 -9.811 7.375 1.00 30.44 H new ATOM 0 HG21 THR A 75 -8.590 -8.479 10.077 1.00 14.34 H new ATOM 0 HG22 THR A 75 -6.947 -8.000 9.591 1.00 14.34 H new ATOM 0 HG23 THR A 75 -8.319 -7.709 8.496 1.00 14.34 H new ATOM 1043 N ALA A 76 -6.559 -7.884 5.775 1.00 33.44 N ATOM 1044 CA ALA A 76 -7.038 -6.998 4.723 1.00 55.43 C ATOM 1045 C ALA A 76 -6.504 -7.424 3.360 1.00 0.24 C ATOM 1046 O ALA A 76 -5.634 -8.291 3.265 1.00 35.41 O ATOM 1047 CB ALA A 76 -6.640 -5.560 5.022 1.00 35.20 C ATOM 0 H ALA A 76 -5.585 -7.735 6.040 1.00 33.44 H new ATOM 0 HA ALA A 76 -8.126 -7.064 4.694 1.00 55.43 H new ATOM 0 HB1 ALA A 76 -7.005 -4.909 4.227 1.00 35.20 H new ATOM 0 HB2 ALA A 76 -7.076 -5.252 5.972 1.00 35.20 H new ATOM 0 HB3 ALA A 76 -5.554 -5.488 5.081 1.00 35.20 H new ATOM 1053 N THR A 77 -7.029 -6.809 2.305 1.00 31.43 N ATOM 1054 CA THR A 77 -6.606 -7.127 0.947 1.00 4.51 C ATOM 1055 C THR A 77 -6.068 -5.890 0.236 1.00 44.44 C ATOM 1056 O THR A 77 -6.178 -4.773 0.742 1.00 32.52 O ATOM 1057 CB THR A 77 -7.765 -7.716 0.121 1.00 4.41 C ATOM 1058 OG1 THR A 77 -8.983 -7.027 0.424 1.00 2.31 O ATOM 1059 CG2 THR A 77 -7.932 -9.201 0.405 1.00 35.24 C ATOM 0 H THR A 77 -7.748 -6.088 2.365 1.00 31.43 H new ATOM 0 HA THR A 77 -5.813 -7.871 1.028 1.00 4.51 H new ATOM 0 HB THR A 77 -7.530 -7.589 -0.936 1.00 4.41 H new ATOM 0 HG1 THR A 77 -9.714 -7.407 -0.107 1.00 2.31 H new ATOM 0 HG21 THR A 77 -8.756 -9.595 -0.190 1.00 35.24 H new ATOM 0 HG22 THR A 77 -7.013 -9.727 0.145 1.00 35.24 H new ATOM 0 HG23 THR A 77 -8.146 -9.347 1.464 1.00 35.24 H new ATOM 1067 N VAL A 78 -5.487 -6.096 -0.942 1.00 33.22 N ATOM 1068 CA VAL A 78 -4.932 -4.998 -1.724 1.00 41.11 C ATOM 1069 C VAL A 78 -5.977 -3.913 -1.964 1.00 34.15 C ATOM 1070 O VAL A 78 -5.664 -2.722 -1.948 1.00 33.30 O ATOM 1071 CB VAL A 78 -4.398 -5.488 -3.082 1.00 71.50 C ATOM 1072 CG1 VAL A 78 -3.299 -6.520 -2.882 1.00 34.23 C ATOM 1073 CG2 VAL A 78 -5.528 -6.060 -3.924 1.00 52.15 C ATOM 0 H VAL A 78 -5.389 -7.014 -1.376 1.00 33.22 H new ATOM 0 HA VAL A 78 -4.106 -4.584 -1.146 1.00 41.11 H new ATOM 0 HB VAL A 78 -3.973 -4.637 -3.614 1.00 71.50 H new ATOM 0 HG11 VAL A 78 -2.934 -6.855 -3.853 1.00 34.23 H new ATOM 0 HG12 VAL A 78 -2.479 -6.074 -2.320 1.00 34.23 H new ATOM 0 HG13 VAL A 78 -3.696 -7.372 -2.330 1.00 34.23 H new ATOM 0 HG21 VAL A 78 -5.132 -6.401 -4.880 1.00 52.15 H new ATOM 0 HG22 VAL A 78 -5.984 -6.900 -3.399 1.00 52.15 H new ATOM 0 HG23 VAL A 78 -6.279 -5.289 -4.097 1.00 52.15 H new ATOM 1083 N ARG A 79 -7.218 -4.332 -2.184 1.00 12.53 N ATOM 1084 CA ARG A 79 -8.309 -3.396 -2.427 1.00 41.03 C ATOM 1085 C ARG A 79 -8.561 -2.525 -1.200 1.00 45.25 C ATOM 1086 O ARG A 79 -8.830 -1.330 -1.321 1.00 62.24 O ATOM 1087 CB ARG A 79 -9.585 -4.152 -2.801 1.00 73.50 C ATOM 1088 CG ARG A 79 -10.688 -3.257 -3.340 1.00 50.33 C ATOM 1089 CD ARG A 79 -10.439 -2.879 -4.792 1.00 72.33 C ATOM 1090 NE ARG A 79 -10.972 -3.877 -5.716 1.00 50.34 N ATOM 1091 CZ ARG A 79 -11.161 -3.651 -7.011 1.00 51.11 C ATOM 1092 NH1 ARG A 79 -10.861 -2.470 -7.533 1.00 42.24 N ATOM 1093 NH2 ARG A 79 -11.649 -4.609 -7.789 1.00 73.24 N ATOM 0 H ARG A 79 -7.494 -5.314 -2.199 1.00 12.53 H new ATOM 0 HA ARG A 79 -8.022 -2.750 -3.257 1.00 41.03 H new ATOM 0 HB2 ARG A 79 -9.344 -4.907 -3.549 1.00 73.50 H new ATOM 0 HB3 ARG A 79 -9.955 -4.681 -1.922 1.00 73.50 H new ATOM 0 HG2 ARG A 79 -11.647 -3.768 -3.255 1.00 50.33 H new ATOM 0 HG3 ARG A 79 -10.754 -2.354 -2.734 1.00 50.33 H new ATOM 0 HD2 ARG A 79 -10.898 -1.912 -4.999 1.00 72.33 H new ATOM 0 HD3 ARG A 79 -9.368 -2.766 -4.959 1.00 72.33 H new ATOM 0 HE ARG A 79 -11.212 -4.797 -5.347 1.00 50.34 H new ATOM 0 HH11 ARG A 79 -10.484 -1.731 -6.940 1.00 42.24 H new ATOM 0 HH12 ARG A 79 -11.008 -2.300 -8.528 1.00 42.24 H new ATOM 0 HH21 ARG A 79 -11.879 -5.520 -7.393 1.00 73.24 H new ATOM 0 HH22 ARG A 79 -11.794 -4.434 -8.783 1.00 73.24 H new ATOM 1104 N GLU A 80 -8.474 -3.132 -0.021 1.00 4.01 N ATOM 1105 CA GLU A 80 -8.695 -2.412 1.227 1.00 14.24 C ATOM 1106 C GLU A 80 -7.573 -1.409 1.482 1.00 0.34 C ATOM 1107 O GLU A 80 -7.826 -0.244 1.789 1.00 14.00 O ATOM 1108 CB GLU A 80 -8.793 -3.392 2.397 1.00 34.34 C ATOM 1109 CG GLU A 80 -10.157 -4.048 2.529 1.00 20.23 C ATOM 1110 CD GLU A 80 -10.479 -4.441 3.958 1.00 31.31 C ATOM 1111 OE1 GLU A 80 -9.533 -4.723 4.723 1.00 41.04 O ATOM 1112 OE2 GLU A 80 -11.677 -4.469 4.310 1.00 12.44 O ATOM 0 H GLU A 80 -8.252 -4.121 0.096 1.00 4.01 H new ATOM 0 HA GLU A 80 -9.635 -1.866 1.140 1.00 14.24 H new ATOM 0 HB2 GLU A 80 -8.037 -4.167 2.275 1.00 34.34 H new ATOM 0 HB3 GLU A 80 -8.562 -2.864 3.322 1.00 34.34 H new ATOM 0 HG2 GLU A 80 -10.922 -3.363 2.163 1.00 20.23 H new ATOM 0 HG3 GLU A 80 -10.193 -4.934 1.895 1.00 20.23 H new ATOM 1117 N MET A 81 -6.334 -1.871 1.353 1.00 4.15 N ATOM 1118 CA MET A 81 -5.173 -1.015 1.569 1.00 2.33 C ATOM 1119 C MET A 81 -5.151 0.133 0.564 1.00 13.42 C ATOM 1120 O MET A 81 -4.851 1.274 0.918 1.00 2.01 O ATOM 1121 CB MET A 81 -3.883 -1.829 1.458 1.00 24.22 C ATOM 1122 CG MET A 81 -2.622 -0.999 1.632 1.00 3.40 C ATOM 1123 SD MET A 81 -1.145 -1.847 1.040 1.00 0.33 S ATOM 1124 CE MET A 81 -0.780 -2.906 2.436 1.00 72.43 C ATOM 0 H MET A 81 -6.108 -2.833 1.100 1.00 4.15 H new ATOM 0 HA MET A 81 -5.244 -0.596 2.573 1.00 2.33 H new ATOM 0 HB2 MET A 81 -3.895 -2.618 2.210 1.00 24.22 H new ATOM 0 HB3 MET A 81 -3.855 -2.318 0.484 1.00 24.22 H new ATOM 0 HG2 MET A 81 -2.735 -0.057 1.096 1.00 3.40 H new ATOM 0 HG3 MET A 81 -2.497 -0.752 2.686 1.00 3.40 H new ATOM 0 HE1 MET A 81 0.299 -3.033 2.524 1.00 72.43 H new ATOM 0 HE2 MET A 81 -1.167 -2.452 3.348 1.00 72.43 H new ATOM 0 HE3 MET A 81 -1.249 -3.879 2.287 1.00 72.43 H new ATOM 1132 N ALA A 82 -5.469 -0.175 -0.689 1.00 54.11 N ATOM 1133 CA ALA A 82 -5.486 0.831 -1.743 1.00 14.23 C ATOM 1134 C ALA A 82 -6.624 1.825 -1.534 1.00 21.43 C ATOM 1135 O ALA A 82 -6.445 3.031 -1.704 1.00 42.02 O ATOM 1136 CB ALA A 82 -5.607 0.166 -3.106 1.00 74.54 C ATOM 0 H ALA A 82 -5.719 -1.114 -0.999 1.00 54.11 H new ATOM 0 HA ALA A 82 -4.546 1.381 -1.702 1.00 14.23 H new ATOM 0 HB1 ALA A 82 -5.618 0.930 -3.884 1.00 74.54 H new ATOM 0 HB2 ALA A 82 -4.758 -0.499 -3.263 1.00 74.54 H new ATOM 0 HB3 ALA A 82 -6.532 -0.410 -3.149 1.00 74.54 H new ATOM 1142 N GLU A 83 -7.793 1.311 -1.163 1.00 24.22 N ATOM 1143 CA GLU A 83 -8.959 2.154 -0.934 1.00 11.32 C ATOM 1144 C GLU A 83 -8.738 3.075 0.263 1.00 34.04 C ATOM 1145 O GLU A 83 -9.050 4.264 0.212 1.00 61.03 O ATOM 1146 CB GLU A 83 -10.202 1.292 -0.705 1.00 51.44 C ATOM 1147 CG GLU A 83 -11.002 1.029 -1.971 1.00 34.32 C ATOM 1148 CD GLU A 83 -10.118 0.815 -3.184 1.00 1.31 C ATOM 1149 OE1 GLU A 83 -9.720 1.817 -3.813 1.00 11.24 O ATOM 1150 OE2 GLU A 83 -9.825 -0.356 -3.504 1.00 33.22 O ATOM 0 H GLU A 83 -7.957 0.315 -1.015 1.00 24.22 H new ATOM 0 HA GLU A 83 -9.110 2.769 -1.821 1.00 11.32 H new ATOM 0 HB2 GLU A 83 -9.898 0.339 -0.273 1.00 51.44 H new ATOM 0 HB3 GLU A 83 -10.845 1.783 0.026 1.00 51.44 H new ATOM 0 HG2 GLU A 83 -11.630 0.150 -1.824 1.00 34.32 H new ATOM 0 HG3 GLU A 83 -11.670 1.870 -2.156 1.00 34.32 H new ATOM 1155 N ALA A 84 -8.196 2.515 1.340 1.00 53.02 N ATOM 1156 CA ALA A 84 -7.931 3.284 2.550 1.00 65.14 C ATOM 1157 C ALA A 84 -6.956 4.423 2.273 1.00 63.24 C ATOM 1158 O ALA A 84 -7.129 5.537 2.771 1.00 23.31 O ATOM 1159 CB ALA A 84 -7.389 2.376 3.644 1.00 11.04 C ATOM 0 H ALA A 84 -7.932 1.532 1.399 1.00 53.02 H new ATOM 0 HA ALA A 84 -8.871 3.720 2.888 1.00 65.14 H new ATOM 0 HB1 ALA A 84 -7.196 2.963 4.542 1.00 11.04 H new ATOM 0 HB2 ALA A 84 -8.121 1.600 3.869 1.00 11.04 H new ATOM 0 HB3 ALA A 84 -6.462 1.913 3.306 1.00 11.04 H new ATOM 1165 N LEU A 85 -5.931 4.138 1.478 1.00 30.43 N ATOM 1166 CA LEU A 85 -4.926 5.139 1.135 1.00 71.14 C ATOM 1167 C LEU A 85 -5.511 6.203 0.212 1.00 52.30 C ATOM 1168 O LEU A 85 -5.293 7.397 0.410 1.00 15.50 O ATOM 1169 CB LEU A 85 -3.722 4.474 0.466 1.00 34.21 C ATOM 1170 CG LEU A 85 -2.645 3.935 1.408 1.00 73.34 C ATOM 1171 CD1 LEU A 85 -1.541 3.248 0.619 1.00 55.35 C ATOM 1172 CD2 LEU A 85 -2.073 5.056 2.264 1.00 43.45 C ATOM 0 H LEU A 85 -5.773 3.222 1.058 1.00 30.43 H new ATOM 0 HA LEU A 85 -4.601 5.622 2.057 1.00 71.14 H new ATOM 0 HB2 LEU A 85 -4.083 3.651 -0.150 1.00 34.21 H new ATOM 0 HB3 LEU A 85 -3.260 5.197 -0.206 1.00 34.21 H new ATOM 0 HG LEU A 85 -3.104 3.199 2.069 1.00 73.34 H new ATOM 0 HD11 LEU A 85 -0.783 2.871 1.306 1.00 55.35 H new ATOM 0 HD12 LEU A 85 -1.962 2.418 0.052 1.00 55.35 H new ATOM 0 HD13 LEU A 85 -1.085 3.962 -0.067 1.00 55.35 H new ATOM 0 HD21 LEU A 85 -1.308 4.653 2.928 1.00 43.45 H new ATOM 0 HD22 LEU A 85 -1.631 5.816 1.620 1.00 43.45 H new ATOM 0 HD23 LEU A 85 -2.870 5.503 2.858 1.00 43.45 H new ATOM 1183 N GLU A 86 -6.257 5.760 -0.795 1.00 43.51 N ATOM 1184 CA GLU A 86 -6.875 6.677 -1.747 1.00 62.31 C ATOM 1185 C GLU A 86 -7.907 7.564 -1.058 1.00 13.35 C ATOM 1186 O GLU A 86 -8.109 8.714 -1.445 1.00 3.54 O ATOM 1187 CB GLU A 86 -7.537 5.895 -2.884 1.00 41.21 C ATOM 1188 CG GLU A 86 -9.034 5.706 -2.702 1.00 33.21 C ATOM 1189 CD GLU A 86 -9.833 6.911 -3.158 1.00 74.33 C ATOM 1190 OE1 GLU A 86 -9.838 7.195 -4.374 1.00 63.12 O ATOM 1191 OE2 GLU A 86 -10.455 7.569 -2.297 1.00 45.33 O ATOM 0 H GLU A 86 -6.448 4.774 -0.973 1.00 43.51 H new ATOM 0 HA GLU A 86 -6.092 7.314 -2.159 1.00 62.31 H new ATOM 0 HB2 GLU A 86 -7.357 6.415 -3.825 1.00 41.21 H new ATOM 0 HB3 GLU A 86 -7.063 4.917 -2.965 1.00 41.21 H new ATOM 0 HG2 GLU A 86 -9.356 4.828 -3.262 1.00 33.21 H new ATOM 0 HG3 GLU A 86 -9.247 5.510 -1.651 1.00 33.21 H new ATOM 1196 N ALA A 87 -8.557 7.021 -0.034 1.00 22.43 N ATOM 1197 CA ALA A 87 -9.566 7.763 0.711 1.00 50.41 C ATOM 1198 C ALA A 87 -8.939 8.922 1.479 1.00 74.10 C ATOM 1199 O ALA A 87 -9.451 10.042 1.458 1.00 35.20 O ATOM 1200 CB ALA A 87 -10.308 6.837 1.663 1.00 24.30 C ATOM 0 H ALA A 87 -8.403 6.069 0.299 1.00 22.43 H new ATOM 0 HA ALA A 87 -10.278 8.177 -0.003 1.00 50.41 H new ATOM 0 HB1 ALA A 87 -11.058 7.405 2.212 1.00 24.30 H new ATOM 0 HB2 ALA A 87 -10.797 6.046 1.094 1.00 24.30 H new ATOM 0 HB3 ALA A 87 -9.601 6.395 2.365 1.00 24.30 H new