USER MOD reduce.3.24.130724 H: found=0, std=0, add=953, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 952 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 89 HIS : no HD1:sc= -2.12 K(o=0.37,f=-0.21) USER MOD Set 1.2: A 106 SER OG : rot -111:sc= 1.23 USER MOD Set 1.3: A 110 THR OG1 : rot 111:sc= 1.26 USER MOD Set 2.1: A 16 SER OG : rot 28:sc= 0.185 USER MOD Set 2.2: A 84 THR OG1 : rot -4:sc= 0.206! USER MOD Set 3.1: A 65 GLN : amide:sc= 1.13 X(o=0.96,f=0.87) USER MOD Set 3.2: A 68 THR OG1 : rot -111:sc= -0.171 USER MOD Single : A 24 LYS NZ :NH3+ -163:sc= 0.466 (180deg=0.118) USER MOD Single : A 26 MET CE :methyl 145:sc= -0.209 (180deg=-0.969) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot -80:sc= 0.342 USER MOD Single : A 30 THR OG1 : rot 98:sc= 1.3 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 SER OG : rot -160:sc= -0.271 USER MOD Single : A 52 LYS NZ :NH3+ -173:sc= 1.26 (180deg=1.18) USER MOD Single : A 56 ASN : amide:sc= -1.54 K(o=-1.5,f=-2.3) USER MOD Single : A 67 THR OG1 : rot 180:sc= -0.0785 USER MOD Single : A 69 THR OG1 : rot -88:sc= 1.17 USER MOD Single : A 73 HIS : no HD1:sc= -0.437 X(o=-0.44,f=-0.25) USER MOD Single : A 76 SER OG : rot 180:sc= -0.0477 USER MOD Single : A 86 SER OG : rot -131:sc= 0.476 USER MOD Single : A 95 ASN : amide:sc= -1.24 K(o=-1.2,f=-2.4!) USER MOD Single : A 108 ASN : amide:sc= -1.74 K(o=-1.7,f=-3.9!) USER MOD Single : A 111 TYR OH : rot 180:sc= 0 USER MOD Single : A 113 ASN : amide:sc= -0.173 X(o=-0.17,f=-0.65) USER MOD Single : A 118 ASN : amide:sc= -0.263 X(o=-0.26,f=-0.71) USER MOD Single : A 120 GLN : amide:sc= 0.0147 K(o=0.015,f=-1.9!) USER MOD Single : A 122 MET CE :methyl -106:sc= -0.773 (180deg=-5.37!) USER MOD Single : A 123 GLN : amide:sc= 0.00603 X(o=0.006,f=0) USER MOD Single : A 124 THR OG1 : rot 180:sc= 0.957 USER MOD Single : A 129 GLN : amide:sc= -0.23 X(o=-0.23,f=-0.72) USER MOD Single : A 132 LYS NZ :NH3+ 151:sc= 1.27 (180deg=1.25) USER MOD ----------------------------------------------------------------- ATOM 214 N SER A 16 6.993 19.138 4.276 1.00 44.00 N ATOM 215 CA SER A 16 5.953 20.108 4.436 1.00 3.54 C ATOM 216 C SER A 16 4.683 19.390 4.882 1.00 24.03 C ATOM 217 O SER A 16 4.314 18.346 4.315 1.00 50.44 O ATOM 218 CB SER A 16 5.714 20.791 3.099 1.00 64.05 C ATOM 219 OG SER A 16 6.932 21.313 2.563 1.00 3.13 O ATOM 0 HA SER A 16 6.233 20.853 5.181 1.00 3.54 H new ATOM 0 HB2 SER A 16 5.279 20.080 2.397 1.00 64.05 H new ATOM 0 HB3 SER A 16 4.992 21.598 3.223 1.00 64.05 H new ATOM 0 HG SER A 16 7.687 20.781 2.889 1.00 3.13 H new ATOM 225 N VAL A 17 4.036 19.924 5.882 1.00 10.53 N ATOM 226 CA VAL A 17 2.855 19.314 6.425 1.00 0.01 C ATOM 227 C VAL A 17 1.630 19.838 5.696 1.00 41.52 C ATOM 228 O VAL A 17 1.316 21.035 5.765 1.00 61.24 O ATOM 229 CB VAL A 17 2.711 19.613 7.942 1.00 65.44 C ATOM 230 CG1 VAL A 17 1.506 18.894 8.531 1.00 70.14 C ATOM 231 CG2 VAL A 17 3.974 19.232 8.691 1.00 13.24 C ATOM 0 H VAL A 17 4.312 20.792 6.342 1.00 10.53 H new ATOM 0 HA VAL A 17 2.941 18.236 6.292 1.00 0.01 H new ATOM 0 HB VAL A 17 2.555 20.686 8.055 1.00 65.44 H new ATOM 0 HG11 VAL A 17 1.430 19.122 9.594 1.00 70.14 H new ATOM 0 HG12 VAL A 17 0.600 19.226 8.023 1.00 70.14 H new ATOM 0 HG13 VAL A 17 1.623 17.819 8.398 1.00 70.14 H new ATOM 0 HG21 VAL A 17 3.848 19.451 9.751 1.00 13.24 H new ATOM 0 HG22 VAL A 17 4.167 18.167 8.561 1.00 13.24 H new ATOM 0 HG23 VAL A 17 4.816 19.804 8.300 1.00 13.24 H new ATOM 241 N PHE A 18 0.955 18.966 5.005 1.00 33.42 N ATOM 242 CA PHE A 18 -0.253 19.330 4.326 1.00 73.14 C ATOM 243 C PHE A 18 -1.382 18.460 4.815 1.00 71.42 C ATOM 244 O PHE A 18 -1.203 17.250 5.033 1.00 3.21 O ATOM 245 CB PHE A 18 -0.115 19.289 2.776 1.00 51.21 C ATOM 246 CG PHE A 18 0.224 17.943 2.160 1.00 1.10 C ATOM 247 CD1 PHE A 18 -0.783 17.053 1.797 1.00 50.42 C ATOM 248 CD2 PHE A 18 1.541 17.581 1.930 1.00 73.02 C ATOM 249 CE1 PHE A 18 -0.479 15.833 1.226 1.00 22.14 C ATOM 250 CE2 PHE A 18 1.850 16.362 1.358 1.00 11.44 C ATOM 251 CZ PHE A 18 0.841 15.486 1.006 1.00 32.32 C ATOM 0 H PHE A 18 1.225 17.988 4.897 1.00 33.42 H new ATOM 0 HA PHE A 18 -0.474 20.370 4.565 1.00 73.14 H new ATOM 0 HB2 PHE A 18 -1.052 19.637 2.341 1.00 51.21 H new ATOM 0 HB3 PHE A 18 0.656 20.002 2.483 1.00 51.21 H new ATOM 0 HD1 PHE A 18 -1.816 17.320 1.964 1.00 50.42 H new ATOM 0 HD2 PHE A 18 2.336 18.260 2.201 1.00 73.02 H new ATOM 0 HE1 PHE A 18 -1.271 15.151 0.952 1.00 22.14 H new ATOM 0 HE2 PHE A 18 2.882 16.093 1.186 1.00 11.44 H new ATOM 0 HZ PHE A 18 1.083 14.533 0.560 1.00 32.32 H new ATOM 261 N ARG A 19 -2.509 19.064 5.025 1.00 72.33 N ATOM 262 CA ARG A 19 -3.670 18.385 5.501 1.00 75.04 C ATOM 263 C ARG A 19 -4.727 18.493 4.428 1.00 71.15 C ATOM 264 O ARG A 19 -5.399 19.511 4.294 1.00 54.12 O ATOM 265 CB ARG A 19 -4.136 19.014 6.806 1.00 61.44 C ATOM 266 CG ARG A 19 -5.171 18.215 7.559 1.00 72.45 C ATOM 267 CD ARG A 19 -5.465 18.863 8.898 1.00 5.31 C ATOM 268 NE ARG A 19 -6.410 18.088 9.704 1.00 12.42 N ATOM 269 CZ ARG A 19 -7.251 18.608 10.601 1.00 34.43 C ATOM 270 NH1 ARG A 19 -7.238 19.921 10.843 1.00 74.44 N ATOM 271 NH2 ARG A 19 -8.077 17.816 11.280 1.00 25.33 N ATOM 0 H ARG A 19 -2.649 20.062 4.867 1.00 72.33 H new ATOM 0 HA ARG A 19 -3.460 17.335 5.705 1.00 75.04 H new ATOM 0 HB2 ARG A 19 -3.270 19.161 7.452 1.00 61.44 H new ATOM 0 HB3 ARG A 19 -4.545 20.001 6.592 1.00 61.44 H new ATOM 0 HG2 ARG A 19 -6.086 18.148 6.971 1.00 72.45 H new ATOM 0 HG3 ARG A 19 -4.814 17.196 7.711 1.00 72.45 H new ATOM 0 HD2 ARG A 19 -4.534 18.982 9.452 1.00 5.31 H new ATOM 0 HD3 ARG A 19 -5.868 19.862 8.733 1.00 5.31 H new ATOM 0 HE ARG A 19 -6.427 17.077 9.570 1.00 12.42 H new ATOM 0 HH11 ARG A 19 -6.586 20.525 10.343 1.00 74.44 H new ATOM 0 HH12 ARG A 19 -7.880 20.320 11.528 1.00 74.44 H new ATOM 0 HH21 ARG A 19 -8.068 16.809 11.116 1.00 25.33 H new ATOM 0 HH22 ARG A 19 -8.719 18.216 11.965 1.00 25.33 H new ATOM 285 N ALA A 20 -4.828 17.461 3.640 1.00 54.54 N ATOM 286 CA ALA A 20 -5.689 17.456 2.481 1.00 35.42 C ATOM 287 C ALA A 20 -7.161 17.202 2.834 1.00 62.25 C ATOM 288 O ALA A 20 -7.561 17.258 4.003 1.00 3.45 O ATOM 289 CB ALA A 20 -5.176 16.426 1.479 1.00 63.04 C ATOM 0 H ALA A 20 -4.314 16.591 3.780 1.00 54.54 H new ATOM 0 HA ALA A 20 -5.658 18.450 2.035 1.00 35.42 H new ATOM 0 HB1 ALA A 20 -5.823 16.418 0.602 1.00 63.04 H new ATOM 0 HB2 ALA A 20 -4.161 16.685 1.179 1.00 63.04 H new ATOM 0 HB3 ALA A 20 -5.178 15.438 1.940 1.00 63.04 H new ATOM 295 N ASP A 21 -7.934 16.898 1.806 1.00 32.05 N ATOM 296 CA ASP A 21 -9.404 16.645 1.819 1.00 4.23 C ATOM 297 C ASP A 21 -9.840 15.434 2.704 1.00 32.31 C ATOM 298 O ASP A 21 -11.005 15.025 2.693 1.00 64.12 O ATOM 299 CB ASP A 21 -9.877 16.477 0.368 1.00 45.14 C ATOM 300 CG ASP A 21 -11.380 16.509 0.181 1.00 23.01 C ATOM 301 OD1 ASP A 21 -11.993 17.579 0.409 1.00 73.33 O ATOM 302 OD2 ASP A 21 -11.953 15.510 -0.297 1.00 13.55 O ATOM 0 H ASP A 21 -7.546 16.810 0.867 1.00 32.05 H new ATOM 0 HA ASP A 21 -9.883 17.506 2.285 1.00 4.23 H new ATOM 0 HB2 ASP A 21 -9.433 17.267 -0.238 1.00 45.14 H new ATOM 0 HB3 ASP A 21 -9.498 15.530 -0.015 1.00 45.14 H new ATOM 307 N LEU A 22 -8.911 14.902 3.488 1.00 73.23 N ATOM 308 CA LEU A 22 -9.117 13.702 4.308 1.00 24.50 C ATOM 309 C LEU A 22 -10.311 13.806 5.292 1.00 42.12 C ATOM 310 O LEU A 22 -10.854 12.785 5.726 1.00 5.12 O ATOM 311 CB LEU A 22 -7.796 13.292 5.021 1.00 21.04 C ATOM 312 CG LEU A 22 -7.033 14.374 5.837 1.00 12.12 C ATOM 313 CD1 LEU A 22 -7.753 14.762 7.122 1.00 65.41 C ATOM 314 CD2 LEU A 22 -5.621 13.912 6.138 1.00 5.34 C ATOM 0 H LEU A 22 -7.974 15.295 3.578 1.00 73.23 H new ATOM 0 HA LEU A 22 -9.399 12.904 3.621 1.00 24.50 H new ATOM 0 HB2 LEU A 22 -8.024 12.466 5.695 1.00 21.04 H new ATOM 0 HB3 LEU A 22 -7.115 12.905 4.263 1.00 21.04 H new ATOM 0 HG LEU A 22 -6.995 15.269 5.216 1.00 12.12 H new ATOM 0 HD11 LEU A 22 -7.174 15.520 7.649 1.00 65.41 H new ATOM 0 HD12 LEU A 22 -8.738 15.161 6.881 1.00 65.41 H new ATOM 0 HD13 LEU A 22 -7.863 13.883 7.757 1.00 65.41 H new ATOM 0 HD21 LEU A 22 -5.101 14.681 6.710 1.00 5.34 H new ATOM 0 HD22 LEU A 22 -5.656 12.990 6.718 1.00 5.34 H new ATOM 0 HD23 LEU A 22 -5.090 13.733 5.203 1.00 5.34 H new ATOM 326 N LEU A 23 -10.738 15.024 5.603 1.00 21.51 N ATOM 327 CA LEU A 23 -11.895 15.228 6.443 1.00 0.31 C ATOM 328 C LEU A 23 -13.152 14.741 5.718 1.00 61.10 C ATOM 329 O LEU A 23 -13.973 14.019 6.285 1.00 61.15 O ATOM 330 CB LEU A 23 -12.033 16.704 6.821 1.00 42.10 C ATOM 331 CG LEU A 23 -10.916 17.300 7.690 1.00 13.43 C ATOM 332 CD1 LEU A 23 -11.174 18.777 7.944 1.00 71.33 C ATOM 333 CD2 LEU A 23 -10.800 16.553 9.015 1.00 12.02 C ATOM 0 H LEU A 23 -10.293 15.884 5.281 1.00 21.51 H new ATOM 0 HA LEU A 23 -11.770 14.654 7.361 1.00 0.31 H new ATOM 0 HB2 LEU A 23 -12.096 17.286 5.902 1.00 42.10 H new ATOM 0 HB3 LEU A 23 -12.979 16.834 7.347 1.00 42.10 H new ATOM 0 HG LEU A 23 -9.974 17.193 7.151 1.00 13.43 H new ATOM 0 HD11 LEU A 23 -10.374 19.185 8.561 1.00 71.33 H new ATOM 0 HD12 LEU A 23 -11.207 19.309 6.993 1.00 71.33 H new ATOM 0 HD13 LEU A 23 -12.127 18.896 8.460 1.00 71.33 H new ATOM 0 HD21 LEU A 23 -10.002 16.994 9.613 1.00 12.02 H new ATOM 0 HD22 LEU A 23 -11.743 16.626 9.558 1.00 12.02 H new ATOM 0 HD23 LEU A 23 -10.572 15.504 8.823 1.00 12.02 H new ATOM 345 N LYS A 24 -13.263 15.077 4.439 1.00 64.22 N ATOM 346 CA LYS A 24 -14.407 14.654 3.657 1.00 24.51 C ATOM 347 C LYS A 24 -14.238 13.252 3.142 1.00 13.01 C ATOM 348 O LYS A 24 -15.220 12.578 2.820 1.00 31.31 O ATOM 349 CB LYS A 24 -14.787 15.645 2.572 1.00 25.22 C ATOM 350 CG LYS A 24 -15.404 16.894 3.155 1.00 50.41 C ATOM 351 CD LYS A 24 -15.917 17.831 2.094 1.00 23.41 C ATOM 352 CE LYS A 24 -16.668 18.986 2.729 1.00 44.11 C ATOM 353 NZ LYS A 24 -17.854 18.520 3.507 1.00 23.13 N ATOM 0 H LYS A 24 -12.579 15.636 3.929 1.00 64.22 H new ATOM 0 HA LYS A 24 -15.260 14.638 4.335 1.00 24.51 H new ATOM 0 HB2 LYS A 24 -13.902 15.911 1.994 1.00 25.22 H new ATOM 0 HB3 LYS A 24 -15.490 15.179 1.882 1.00 25.22 H new ATOM 0 HG2 LYS A 24 -16.224 16.616 3.817 1.00 50.41 H new ATOM 0 HG3 LYS A 24 -14.663 17.411 3.765 1.00 50.41 H new ATOM 0 HD2 LYS A 24 -15.085 18.211 1.502 1.00 23.41 H new ATOM 0 HD3 LYS A 24 -16.574 17.293 1.411 1.00 23.41 H new ATOM 0 HE2 LYS A 24 -15.996 19.537 3.387 1.00 44.11 H new ATOM 0 HE3 LYS A 24 -16.993 19.678 1.952 1.00 44.11 H new ATOM 0 HZ1 LYS A 24 -18.493 19.322 3.679 1.00 23.13 H new ATOM 0 HZ2 LYS A 24 -18.357 17.787 2.968 1.00 23.13 H new ATOM 0 HZ3 LYS A 24 -17.540 18.126 4.417 1.00 23.13 H new ATOM 367 N GLU A 25 -12.990 12.816 3.087 1.00 24.11 N ATOM 368 CA GLU A 25 -12.649 11.427 2.811 1.00 31.31 C ATOM 369 C GLU A 25 -13.349 10.570 3.858 1.00 74.42 C ATOM 370 O GLU A 25 -14.054 9.614 3.550 1.00 72.43 O ATOM 371 CB GLU A 25 -11.122 11.261 2.942 1.00 45.12 C ATOM 372 CG GLU A 25 -10.592 9.841 2.834 1.00 64.42 C ATOM 373 CD GLU A 25 -10.790 9.252 1.484 1.00 35.45 C ATOM 374 OE1 GLU A 25 -11.929 9.042 1.091 1.00 63.12 O ATOM 375 OE2 GLU A 25 -9.802 9.014 0.766 1.00 30.21 O ATOM 0 H GLU A 25 -12.180 13.418 3.233 1.00 24.11 H new ATOM 0 HA GLU A 25 -12.959 11.132 1.808 1.00 31.31 H new ATOM 0 HB2 GLU A 25 -10.644 11.865 2.171 1.00 45.12 H new ATOM 0 HB3 GLU A 25 -10.814 11.670 3.904 1.00 45.12 H new ATOM 0 HG2 GLU A 25 -9.529 9.836 3.075 1.00 64.42 H new ATOM 0 HG3 GLU A 25 -11.090 9.215 3.575 1.00 64.42 H new ATOM 382 N MET A 26 -13.190 10.980 5.092 1.00 64.31 N ATOM 383 CA MET A 26 -13.801 10.331 6.220 1.00 25.03 C ATOM 384 C MET A 26 -15.319 10.533 6.197 1.00 54.33 C ATOM 385 O MET A 26 -16.077 9.569 6.304 1.00 65.33 O ATOM 386 CB MET A 26 -13.182 10.891 7.498 1.00 12.01 C ATOM 387 CG MET A 26 -13.767 10.363 8.792 1.00 41.32 C ATOM 388 SD MET A 26 -12.926 11.032 10.242 1.00 10.42 S ATOM 389 CE MET A 26 -13.112 12.799 9.971 1.00 33.52 C ATOM 0 H MET A 26 -12.622 11.789 5.343 1.00 64.31 H new ATOM 0 HA MET A 26 -13.619 9.257 6.177 1.00 25.03 H new ATOM 0 HB2 MET A 26 -12.114 10.675 7.488 1.00 12.01 H new ATOM 0 HB3 MET A 26 -13.288 11.976 7.487 1.00 12.01 H new ATOM 0 HG2 MET A 26 -14.826 10.615 8.840 1.00 41.32 H new ATOM 0 HG3 MET A 26 -13.698 9.275 8.803 1.00 41.32 H new ATOM 0 HE1 MET A 26 -13.241 13.302 10.929 1.00 33.52 H new ATOM 0 HE2 MET A 26 -12.223 13.186 9.474 1.00 33.52 H new ATOM 0 HE3 MET A 26 -13.986 12.981 9.345 1.00 33.52 H new ATOM 399 N GLU A 27 -15.735 11.772 5.990 1.00 31.22 N ATOM 400 CA GLU A 27 -17.146 12.183 5.970 1.00 12.33 C ATOM 401 C GLU A 27 -17.985 11.322 5.002 1.00 22.33 C ATOM 402 O GLU A 27 -19.034 10.782 5.375 1.00 35.15 O ATOM 403 CB GLU A 27 -17.227 13.651 5.529 1.00 33.31 C ATOM 404 CG GLU A 27 -18.596 14.298 5.622 1.00 5.52 C ATOM 405 CD GLU A 27 -18.617 15.674 4.987 1.00 21.34 C ATOM 406 OE1 GLU A 27 -18.151 16.652 5.604 1.00 15.44 O ATOM 407 OE2 GLU A 27 -19.084 15.802 3.840 1.00 41.12 O ATOM 0 H GLU A 27 -15.091 12.546 5.826 1.00 31.22 H new ATOM 0 HA GLU A 27 -17.551 12.051 6.973 1.00 12.33 H new ATOM 0 HB2 GLU A 27 -16.531 14.231 6.135 1.00 33.31 H new ATOM 0 HB3 GLU A 27 -16.884 13.719 4.497 1.00 33.31 H new ATOM 0 HG2 GLU A 27 -19.332 13.661 5.132 1.00 5.52 H new ATOM 0 HG3 GLU A 27 -18.889 14.377 6.669 1.00 5.52 H new ATOM 414 N SER A 28 -17.506 11.172 3.788 1.00 32.14 N ATOM 415 CA SER A 28 -18.250 10.484 2.759 1.00 45.11 C ATOM 416 C SER A 28 -18.062 8.954 2.810 1.00 75.13 C ATOM 417 O SER A 28 -18.961 8.198 2.416 1.00 75.43 O ATOM 418 CB SER A 28 -17.865 11.053 1.383 1.00 2.42 C ATOM 419 OG SER A 28 -18.613 10.466 0.327 1.00 52.51 O ATOM 0 H SER A 28 -16.596 11.521 3.488 1.00 32.14 H new ATOM 0 HA SER A 28 -19.311 10.658 2.937 1.00 45.11 H new ATOM 0 HB2 SER A 28 -18.023 12.131 1.381 1.00 2.42 H new ATOM 0 HB3 SER A 28 -16.802 10.887 1.208 1.00 2.42 H new ATOM 0 HG SER A 28 -18.336 10.858 -0.527 1.00 52.51 H new ATOM 425 N SER A 29 -16.931 8.490 3.306 1.00 2.52 N ATOM 426 CA SER A 29 -16.689 7.069 3.309 1.00 24.20 C ATOM 427 C SER A 29 -17.358 6.401 4.518 1.00 12.04 C ATOM 428 O SER A 29 -17.640 5.190 4.500 1.00 3.23 O ATOM 429 CB SER A 29 -15.195 6.775 3.259 1.00 14.05 C ATOM 430 OG SER A 29 -14.933 5.443 2.838 1.00 54.43 O ATOM 0 H SER A 29 -16.185 9.063 3.702 1.00 2.52 H new ATOM 0 HA SER A 29 -17.138 6.643 2.412 1.00 24.20 H new ATOM 0 HB2 SER A 29 -14.710 7.474 2.578 1.00 14.05 H new ATOM 0 HB3 SER A 29 -14.759 6.937 4.245 1.00 14.05 H new ATOM 0 HG SER A 29 -15.055 4.831 3.594 1.00 54.43 H new ATOM 436 N THR A 30 -17.623 7.182 5.555 1.00 33.14 N ATOM 437 CA THR A 30 -18.295 6.668 6.718 1.00 23.21 C ATOM 438 C THR A 30 -19.762 6.414 6.376 1.00 21.13 C ATOM 439 O THR A 30 -20.526 7.350 6.082 1.00 34.35 O ATOM 440 CB THR A 30 -18.171 7.632 7.918 1.00 61.02 C ATOM 441 OG1 THR A 30 -16.778 7.873 8.175 1.00 31.53 O ATOM 442 CG2 THR A 30 -18.810 7.035 9.167 1.00 0.45 C ATOM 0 H THR A 30 -17.380 8.171 5.606 1.00 33.14 H new ATOM 0 HA THR A 30 -17.821 5.731 7.011 1.00 23.21 H new ATOM 0 HB THR A 30 -18.686 8.562 7.676 1.00 61.02 H new ATOM 0 HG1 THR A 30 -16.510 8.719 7.758 1.00 31.53 H new ATOM 0 HG21 THR A 30 -18.709 7.734 9.997 1.00 0.45 H new ATOM 0 HG22 THR A 30 -19.867 6.845 8.980 1.00 0.45 H new ATOM 0 HG23 THR A 30 -18.312 6.099 9.418 1.00 0.45 H new ATOM 450 N GLY A 31 -20.112 5.156 6.347 1.00 43.54 N ATOM 451 CA GLY A 31 -21.444 4.749 6.016 1.00 14.41 C ATOM 452 C GLY A 31 -21.405 3.423 5.321 1.00 73.23 C ATOM 453 O GLY A 31 -22.308 2.592 5.472 1.00 60.31 O ATOM 0 H GLY A 31 -19.477 4.385 6.553 1.00 43.54 H new ATOM 0 HA2 GLY A 31 -22.049 4.680 6.920 1.00 14.41 H new ATOM 0 HA3 GLY A 31 -21.914 5.494 5.374 1.00 14.41 H new ATOM 457 N THR A 32 -20.351 3.212 4.574 1.00 14.55 N ATOM 458 CA THR A 32 -20.159 1.976 3.879 1.00 73.33 C ATOM 459 C THR A 32 -19.285 1.051 4.748 1.00 63.52 C ATOM 460 O THR A 32 -18.158 1.406 5.103 1.00 40.12 O ATOM 461 CB THR A 32 -19.448 2.278 2.548 1.00 72.31 C ATOM 462 OG1 THR A 32 -20.157 3.350 1.881 1.00 12.55 O ATOM 463 CG2 THR A 32 -19.417 1.052 1.645 1.00 14.44 C ATOM 0 H THR A 32 -19.606 3.894 4.434 1.00 14.55 H new ATOM 0 HA THR A 32 -21.113 1.486 3.682 1.00 73.33 H new ATOM 0 HB THR A 32 -18.418 2.567 2.757 1.00 72.31 H new ATOM 0 HG1 THR A 32 -19.715 3.556 1.031 1.00 12.55 H new ATOM 0 HG21 THR A 32 -18.908 1.299 0.713 1.00 14.44 H new ATOM 0 HG22 THR A 32 -18.884 0.244 2.146 1.00 14.44 H new ATOM 0 HG23 THR A 32 -20.437 0.734 1.428 1.00 14.44 H new ATOM 471 N ALA A 33 -19.813 -0.101 5.098 1.00 2.10 N ATOM 472 CA ALA A 33 -19.106 -1.071 5.904 1.00 64.53 C ATOM 473 C ALA A 33 -19.147 -2.413 5.202 1.00 0.12 C ATOM 474 O ALA A 33 -20.228 -2.988 5.055 1.00 23.00 O ATOM 475 CB ALA A 33 -19.741 -1.171 7.287 1.00 5.31 C ATOM 0 H ALA A 33 -20.753 -0.393 4.829 1.00 2.10 H new ATOM 0 HA ALA A 33 -18.069 -0.759 6.031 1.00 64.53 H new ATOM 0 HB1 ALA A 33 -19.199 -1.905 7.884 1.00 5.31 H new ATOM 0 HB2 ALA A 33 -19.697 -0.199 7.779 1.00 5.31 H new ATOM 0 HB3 ALA A 33 -20.781 -1.481 7.188 1.00 5.31 H new ATOM 481 N PRO A 34 -18.004 -2.919 4.711 1.00 51.12 N ATOM 482 CA PRO A 34 -17.968 -4.192 3.985 1.00 32.31 C ATOM 483 C PRO A 34 -18.330 -5.399 4.865 1.00 21.25 C ATOM 484 O PRO A 34 -17.955 -5.480 6.058 1.00 50.23 O ATOM 485 CB PRO A 34 -16.506 -4.308 3.514 1.00 1.35 C ATOM 486 CG PRO A 34 -15.948 -2.930 3.638 1.00 11.21 C ATOM 487 CD PRO A 34 -16.671 -2.297 4.788 1.00 33.20 C ATOM 0 HA PRO A 34 -18.699 -4.200 3.177 1.00 32.31 H new ATOM 0 HB2 PRO A 34 -15.949 -5.016 4.128 1.00 1.35 H new ATOM 0 HB3 PRO A 34 -16.450 -4.665 2.486 1.00 1.35 H new ATOM 0 HG2 PRO A 34 -14.874 -2.958 3.820 1.00 11.21 H new ATOM 0 HG3 PRO A 34 -16.101 -2.362 2.720 1.00 11.21 H new ATOM 0 HD2 PRO A 34 -16.181 -2.505 5.739 1.00 33.20 H new ATOM 0 HD3 PRO A 34 -16.723 -1.213 4.687 1.00 33.20 H new ATOM 495 N ALA A 35 -19.055 -6.318 4.275 1.00 63.21 N ATOM 496 CA ALA A 35 -19.441 -7.547 4.910 1.00 3.31 C ATOM 497 C ALA A 35 -19.178 -8.690 3.951 1.00 72.25 C ATOM 498 O ALA A 35 -18.942 -8.447 2.752 1.00 54.04 O ATOM 499 CB ALA A 35 -20.916 -7.502 5.292 1.00 60.23 C ATOM 0 H ALA A 35 -19.399 -6.227 3.319 1.00 63.21 H new ATOM 0 HA ALA A 35 -18.861 -7.692 5.821 1.00 3.31 H new ATOM 0 HB1 ALA A 35 -21.196 -8.439 5.772 1.00 60.23 H new ATOM 0 HB2 ALA A 35 -21.088 -6.675 5.981 1.00 60.23 H new ATOM 0 HB3 ALA A 35 -21.520 -7.359 4.396 1.00 60.23 H new ATOM 505 N SER A 36 -19.136 -9.913 4.480 1.00 1.00 N ATOM 506 CA SER A 36 -19.000 -11.150 3.691 1.00 4.11 C ATOM 507 C SER A 36 -17.678 -11.192 2.900 1.00 11.23 C ATOM 508 O SER A 36 -17.524 -11.953 1.954 1.00 43.01 O ATOM 509 CB SER A 36 -20.201 -11.293 2.754 1.00 14.32 C ATOM 510 OG SER A 36 -21.433 -11.193 3.487 1.00 2.35 O ATOM 0 H SER A 36 -19.196 -10.081 5.484 1.00 1.00 H new ATOM 0 HA SER A 36 -18.977 -11.992 4.383 1.00 4.11 H new ATOM 0 HB2 SER A 36 -20.164 -10.519 1.987 1.00 14.32 H new ATOM 0 HB3 SER A 36 -20.155 -12.253 2.240 1.00 14.32 H new ATOM 0 HG SER A 36 -22.189 -11.285 2.870 1.00 2.35 H new ATOM 516 N THR A 37 -16.732 -10.404 3.319 1.00 61.32 N ATOM 517 CA THR A 37 -15.463 -10.342 2.674 1.00 54.54 C ATOM 518 C THR A 37 -14.550 -11.363 3.349 1.00 32.14 C ATOM 519 O THR A 37 -14.179 -11.201 4.514 1.00 21.22 O ATOM 520 CB THR A 37 -14.910 -8.913 2.802 1.00 53.25 C ATOM 521 OG1 THR A 37 -15.930 -8.001 2.334 1.00 23.00 O ATOM 522 CG2 THR A 37 -13.648 -8.730 1.966 1.00 22.33 C ATOM 0 H THR A 37 -16.824 -9.784 4.124 1.00 61.32 H new ATOM 0 HA THR A 37 -15.536 -10.578 1.612 1.00 54.54 H new ATOM 0 HB THR A 37 -14.651 -8.718 3.843 1.00 53.25 H new ATOM 0 HG1 THR A 37 -15.603 -7.080 2.406 1.00 23.00 H new ATOM 0 HG21 THR A 37 -13.282 -7.709 2.078 1.00 22.33 H new ATOM 0 HG22 THR A 37 -12.883 -9.429 2.304 1.00 22.33 H new ATOM 0 HG23 THR A 37 -13.876 -8.921 0.917 1.00 22.33 H new ATOM 530 N GLY A 38 -14.226 -12.424 2.646 1.00 4.35 N ATOM 531 CA GLY A 38 -13.499 -13.502 3.262 1.00 52.45 C ATOM 532 C GLY A 38 -12.140 -13.714 2.673 1.00 31.51 C ATOM 533 O GLY A 38 -11.810 -14.819 2.257 1.00 30.22 O ATOM 0 H GLY A 38 -14.452 -12.560 1.661 1.00 4.35 H new ATOM 0 HA2 GLY A 38 -13.397 -13.299 4.328 1.00 52.45 H new ATOM 0 HA3 GLY A 38 -14.076 -14.422 3.166 1.00 52.45 H new ATOM 537 N ALA A 39 -11.349 -12.664 2.634 1.00 64.45 N ATOM 538 CA ALA A 39 -9.987 -12.763 2.136 1.00 64.02 C ATOM 539 C ALA A 39 -9.046 -13.071 3.293 1.00 25.34 C ATOM 540 O ALA A 39 -7.857 -13.343 3.118 1.00 14.45 O ATOM 541 CB ALA A 39 -9.577 -11.468 1.453 1.00 42.13 C ATOM 0 H ALA A 39 -11.622 -11.730 2.940 1.00 64.45 H new ATOM 0 HA ALA A 39 -9.932 -13.568 1.403 1.00 64.02 H new ATOM 0 HB1 ALA A 39 -8.555 -11.558 1.086 1.00 42.13 H new ATOM 0 HB2 ALA A 39 -10.247 -11.270 0.616 1.00 42.13 H new ATOM 0 HB3 ALA A 39 -9.635 -10.646 2.167 1.00 42.13 H new ATOM 547 N GLU A 40 -9.610 -13.039 4.480 1.00 34.43 N ATOM 548 CA GLU A 40 -8.896 -13.228 5.736 1.00 70.12 C ATOM 549 C GLU A 40 -8.546 -14.694 6.019 1.00 1.00 C ATOM 550 O GLU A 40 -8.171 -15.042 7.147 1.00 14.51 O ATOM 551 CB GLU A 40 -9.739 -12.670 6.874 1.00 45.32 C ATOM 552 CG GLU A 40 -11.145 -13.236 6.911 1.00 2.03 C ATOM 553 CD GLU A 40 -11.896 -12.816 8.126 1.00 70.33 C ATOM 554 OE1 GLU A 40 -12.559 -11.766 8.101 1.00 35.51 O ATOM 555 OE2 GLU A 40 -11.850 -13.549 9.130 1.00 34.55 O ATOM 0 H GLU A 40 -10.609 -12.876 4.608 1.00 34.43 H new ATOM 0 HA GLU A 40 -7.949 -12.694 5.655 1.00 70.12 H new ATOM 0 HB2 GLU A 40 -9.244 -12.882 7.822 1.00 45.32 H new ATOM 0 HB3 GLU A 40 -9.794 -11.586 6.779 1.00 45.32 H new ATOM 0 HG2 GLU A 40 -11.687 -12.912 6.023 1.00 2.03 H new ATOM 0 HG3 GLU A 40 -11.096 -14.324 6.876 1.00 2.03 H new ATOM 562 N ASN A 41 -8.654 -15.541 5.021 1.00 72.23 N ATOM 563 CA ASN A 41 -8.332 -16.939 5.192 1.00 13.30 C ATOM 564 C ASN A 41 -6.986 -17.228 4.596 1.00 50.14 C ATOM 565 O ASN A 41 -6.468 -18.345 4.738 1.00 54.54 O ATOM 566 CB ASN A 41 -9.397 -17.874 4.586 1.00 63.14 C ATOM 567 CG ASN A 41 -10.724 -17.835 5.317 1.00 73.11 C ATOM 568 OD1 ASN A 41 -11.622 -17.054 4.975 1.00 11.24 O ATOM 569 ND2 ASN A 41 -10.866 -18.664 6.326 1.00 33.42 N ATOM 0 H ASN A 41 -8.962 -15.286 4.083 1.00 72.23 H new ATOM 0 HA ASN A 41 -8.312 -17.138 6.264 1.00 13.30 H new ATOM 0 HB2 ASN A 41 -9.558 -17.600 3.543 1.00 63.14 H new ATOM 0 HB3 ASN A 41 -9.018 -18.896 4.593 1.00 63.14 H new ATOM 0 HD21 ASN A 41 -11.738 -18.678 6.856 1.00 33.42 H new ATOM 0 HD22 ASN A 41 -10.105 -19.294 6.580 1.00 33.42 H new ATOM 576 N LEU A 42 -6.421 -16.198 3.931 1.00 10.31 N ATOM 577 CA LEU A 42 -5.111 -16.242 3.304 1.00 44.41 C ATOM 578 C LEU A 42 -5.106 -17.174 2.104 1.00 44.40 C ATOM 579 O LEU A 42 -4.963 -18.383 2.249 1.00 52.31 O ATOM 580 CB LEU A 42 -3.981 -16.616 4.291 1.00 25.54 C ATOM 581 CG LEU A 42 -3.551 -15.584 5.366 1.00 71.13 C ATOM 582 CD1 LEU A 42 -3.168 -14.252 4.747 1.00 3.54 C ATOM 583 CD2 LEU A 42 -4.600 -15.407 6.453 1.00 54.11 C ATOM 0 H LEU A 42 -6.886 -15.297 3.821 1.00 10.31 H new ATOM 0 HA LEU A 42 -4.905 -15.228 2.960 1.00 44.41 H new ATOM 0 HB2 LEU A 42 -4.285 -17.525 4.810 1.00 25.54 H new ATOM 0 HB3 LEU A 42 -3.098 -16.865 3.702 1.00 25.54 H new ATOM 0 HG LEU A 42 -2.662 -15.993 5.846 1.00 71.13 H new ATOM 0 HD11 LEU A 42 -2.873 -13.557 5.533 1.00 3.54 H new ATOM 0 HD12 LEU A 42 -2.335 -14.397 4.059 1.00 3.54 H new ATOM 0 HD13 LEU A 42 -4.021 -13.845 4.204 1.00 3.54 H new ATOM 0 HD21 LEU A 42 -4.250 -14.674 7.180 1.00 54.11 H new ATOM 0 HD22 LEU A 42 -5.531 -15.059 6.007 1.00 54.11 H new ATOM 0 HD23 LEU A 42 -4.771 -16.361 6.952 1.00 54.11 H new ATOM 595 N PRO A 43 -5.312 -16.638 0.900 1.00 14.13 N ATOM 596 CA PRO A 43 -5.324 -17.449 -0.303 1.00 4.11 C ATOM 597 C PRO A 43 -3.925 -17.983 -0.669 1.00 11.31 C ATOM 598 O PRO A 43 -3.627 -19.141 -0.428 1.00 64.33 O ATOM 599 CB PRO A 43 -5.889 -16.527 -1.384 1.00 34.23 C ATOM 600 CG PRO A 43 -5.677 -15.142 -0.869 1.00 63.54 C ATOM 601 CD PRO A 43 -5.606 -15.217 0.627 1.00 30.14 C ATOM 0 HA PRO A 43 -5.926 -18.348 -0.176 1.00 4.11 H new ATOM 0 HB2 PRO A 43 -5.377 -16.676 -2.335 1.00 34.23 H new ATOM 0 HB3 PRO A 43 -6.947 -16.725 -1.557 1.00 34.23 H new ATOM 0 HG2 PRO A 43 -4.758 -14.720 -1.275 1.00 63.54 H new ATOM 0 HG3 PRO A 43 -6.492 -14.489 -1.181 1.00 63.54 H new ATOM 0 HD2 PRO A 43 -4.827 -14.565 1.023 1.00 30.14 H new ATOM 0 HD3 PRO A 43 -6.545 -14.908 1.087 1.00 30.14 H new ATOM 609 N ALA A 44 -3.049 -17.126 -1.181 1.00 52.15 N ATOM 610 CA ALA A 44 -1.723 -17.577 -1.582 1.00 11.35 C ATOM 611 C ALA A 44 -0.681 -17.276 -0.512 1.00 53.24 C ATOM 612 O ALA A 44 0.518 -17.442 -0.732 1.00 4.01 O ATOM 613 CB ALA A 44 -1.325 -16.973 -2.917 1.00 4.23 C ATOM 0 H ALA A 44 -3.228 -16.132 -1.326 1.00 52.15 H new ATOM 0 HA ALA A 44 -1.766 -18.660 -1.700 1.00 11.35 H new ATOM 0 HB1 ALA A 44 -0.331 -17.325 -3.194 1.00 4.23 H new ATOM 0 HB2 ALA A 44 -2.042 -17.273 -3.681 1.00 4.23 H new ATOM 0 HB3 ALA A 44 -1.315 -15.886 -2.836 1.00 4.23 H new ATOM 619 N GLY A 45 -1.144 -16.799 0.632 1.00 52.35 N ATOM 620 CA GLY A 45 -0.256 -16.554 1.764 1.00 62.21 C ATOM 621 C GLY A 45 0.667 -15.372 1.556 1.00 13.31 C ATOM 622 O GLY A 45 1.691 -15.243 2.221 1.00 22.11 O ATOM 0 H GLY A 45 -2.124 -16.574 0.804 1.00 52.35 H new ATOM 0 HA2 GLY A 45 -0.856 -16.384 2.658 1.00 62.21 H new ATOM 0 HA3 GLY A 45 0.343 -17.446 1.947 1.00 62.21 H new ATOM 626 N SER A 46 0.330 -14.536 0.617 1.00 24.15 N ATOM 627 CA SER A 46 1.116 -13.380 0.299 1.00 61.43 C ATOM 628 C SER A 46 0.177 -12.189 0.220 1.00 51.51 C ATOM 629 O SER A 46 -1.049 -12.377 0.214 1.00 41.52 O ATOM 630 CB SER A 46 1.831 -13.615 -1.027 1.00 4.31 C ATOM 631 OG SER A 46 2.560 -14.843 -0.976 1.00 23.12 O ATOM 0 H SER A 46 -0.508 -14.639 0.044 1.00 24.15 H new ATOM 0 HA SER A 46 1.874 -13.189 1.059 1.00 61.43 H new ATOM 0 HB2 SER A 46 1.106 -13.646 -1.840 1.00 4.31 H new ATOM 0 HB3 SER A 46 2.509 -12.788 -1.236 1.00 4.31 H new ATOM 0 HG SER A 46 3.251 -14.842 -1.671 1.00 23.12 H new ATOM 637 N ALA A 47 0.704 -10.998 0.143 1.00 22.12 N ATOM 638 CA ALA A 47 -0.137 -9.838 0.132 1.00 53.30 C ATOM 639 C ALA A 47 0.352 -8.826 -0.868 1.00 65.53 C ATOM 640 O ALA A 47 1.534 -8.805 -1.230 1.00 20.00 O ATOM 641 CB ALA A 47 -0.209 -9.226 1.521 1.00 2.24 C ATOM 0 H ALA A 47 1.705 -10.808 0.087 1.00 22.12 H new ATOM 0 HA ALA A 47 -1.139 -10.146 -0.166 1.00 53.30 H new ATOM 0 HB1 ALA A 47 -0.851 -8.346 1.498 1.00 2.24 H new ATOM 0 HB2 ALA A 47 -0.619 -9.956 2.219 1.00 2.24 H new ATOM 0 HB3 ALA A 47 0.791 -8.937 1.844 1.00 2.24 H new ATOM 647 N LEU A 48 -0.560 -8.025 -1.327 1.00 61.02 N ATOM 648 CA LEU A 48 -0.305 -7.007 -2.283 1.00 63.21 C ATOM 649 C LEU A 48 -1.042 -5.746 -1.880 1.00 23.41 C ATOM 650 O LEU A 48 -1.968 -5.794 -1.063 1.00 12.42 O ATOM 651 CB LEU A 48 -0.658 -7.475 -3.749 1.00 10.03 C ATOM 652 CG LEU A 48 -2.119 -7.922 -4.132 1.00 33.13 C ATOM 653 CD1 LEU A 48 -2.649 -9.079 -3.305 1.00 1.35 C ATOM 654 CD2 LEU A 48 -3.108 -6.761 -4.177 1.00 63.13 C ATOM 0 H LEU A 48 -1.535 -8.069 -1.032 1.00 61.02 H new ATOM 0 HA LEU A 48 0.763 -6.789 -2.296 1.00 63.21 H new ATOM 0 HB2 LEU A 48 -0.390 -6.657 -4.418 1.00 10.03 H new ATOM 0 HB3 LEU A 48 0.002 -8.309 -3.985 1.00 10.03 H new ATOM 0 HG LEU A 48 -2.025 -8.301 -5.150 1.00 33.13 H new ATOM 0 HD11 LEU A 48 -3.660 -9.326 -3.630 1.00 1.35 H new ATOM 0 HD12 LEU A 48 -2.003 -9.947 -3.437 1.00 1.35 H new ATOM 0 HD13 LEU A 48 -2.666 -8.796 -2.252 1.00 1.35 H new ATOM 0 HD21 LEU A 48 -4.096 -7.135 -4.446 1.00 63.13 H new ATOM 0 HD22 LEU A 48 -3.155 -6.285 -3.198 1.00 63.13 H new ATOM 0 HD23 LEU A 48 -2.781 -6.033 -4.919 1.00 63.13 H new ATOM 666 N LEU A 49 -0.636 -4.645 -2.411 1.00 63.00 N ATOM 667 CA LEU A 49 -1.268 -3.391 -2.125 1.00 54.24 C ATOM 668 C LEU A 49 -1.645 -2.704 -3.430 1.00 51.03 C ATOM 669 O LEU A 49 -0.907 -2.788 -4.423 1.00 33.54 O ATOM 670 CB LEU A 49 -0.363 -2.518 -1.204 1.00 53.34 C ATOM 671 CG LEU A 49 1.078 -2.218 -1.671 1.00 53.14 C ATOM 672 CD1 LEU A 49 1.125 -1.116 -2.723 1.00 3.11 C ATOM 673 CD2 LEU A 49 1.961 -1.872 -0.485 1.00 61.22 C ATOM 0 H LEU A 49 0.148 -4.582 -3.061 1.00 63.00 H new ATOM 0 HA LEU A 49 -2.191 -3.554 -1.569 1.00 54.24 H new ATOM 0 HB2 LEU A 49 -0.868 -1.565 -1.048 1.00 53.34 H new ATOM 0 HB3 LEU A 49 -0.303 -3.010 -0.233 1.00 53.34 H new ATOM 0 HG LEU A 49 1.462 -3.123 -2.142 1.00 53.14 H new ATOM 0 HD11 LEU A 49 2.159 -0.941 -3.020 1.00 3.11 H new ATOM 0 HD12 LEU A 49 0.544 -1.419 -3.594 1.00 3.11 H new ATOM 0 HD13 LEU A 49 0.706 -0.199 -2.308 1.00 3.11 H new ATOM 0 HD21 LEU A 49 2.973 -1.664 -0.833 1.00 61.22 H new ATOM 0 HD22 LEU A 49 1.563 -0.992 0.021 1.00 61.22 H new ATOM 0 HD23 LEU A 49 1.982 -2.711 0.210 1.00 61.22 H new ATOM 685 N VAL A 50 -2.797 -2.103 -3.457 1.00 53.45 N ATOM 686 CA VAL A 50 -3.276 -1.405 -4.633 1.00 63.23 C ATOM 687 C VAL A 50 -3.498 0.053 -4.277 1.00 64.34 C ATOM 688 O VAL A 50 -4.068 0.349 -3.225 1.00 63.42 O ATOM 689 CB VAL A 50 -4.634 -2.000 -5.142 1.00 63.30 C ATOM 690 CG1 VAL A 50 -5.093 -1.330 -6.435 1.00 2.45 C ATOM 691 CG2 VAL A 50 -4.551 -3.509 -5.325 1.00 64.13 C ATOM 0 H VAL A 50 -3.440 -2.078 -2.666 1.00 53.45 H new ATOM 0 HA VAL A 50 -2.531 -1.514 -5.421 1.00 63.23 H new ATOM 0 HB VAL A 50 -5.377 -1.793 -4.372 1.00 63.30 H new ATOM 0 HG11 VAL A 50 -6.037 -1.769 -6.757 1.00 2.45 H new ATOM 0 HG12 VAL A 50 -5.229 -0.262 -6.263 1.00 2.45 H new ATOM 0 HG13 VAL A 50 -4.341 -1.480 -7.209 1.00 2.45 H new ATOM 0 HG21 VAL A 50 -5.511 -3.886 -5.679 1.00 64.13 H new ATOM 0 HG22 VAL A 50 -3.777 -3.745 -6.055 1.00 64.13 H new ATOM 0 HG23 VAL A 50 -4.306 -3.978 -4.372 1.00 64.13 H new ATOM 701 N VAL A 51 -3.036 0.957 -5.102 1.00 54.15 N ATOM 702 CA VAL A 51 -3.307 2.348 -4.869 1.00 21.13 C ATOM 703 C VAL A 51 -4.651 2.621 -5.498 1.00 1.55 C ATOM 704 O VAL A 51 -4.813 2.493 -6.717 1.00 64.15 O ATOM 705 CB VAL A 51 -2.235 3.267 -5.513 1.00 62.32 C ATOM 706 CG1 VAL A 51 -2.442 4.722 -5.096 1.00 31.25 C ATOM 707 CG2 VAL A 51 -0.828 2.796 -5.161 1.00 21.13 C ATOM 0 H VAL A 51 -2.477 0.757 -5.931 1.00 54.15 H new ATOM 0 HA VAL A 51 -3.295 2.558 -3.800 1.00 21.13 H new ATOM 0 HB VAL A 51 -2.349 3.206 -6.595 1.00 62.32 H new ATOM 0 HG11 VAL A 51 -1.678 5.346 -5.560 1.00 31.25 H new ATOM 0 HG12 VAL A 51 -3.428 5.056 -5.418 1.00 31.25 H new ATOM 0 HG13 VAL A 51 -2.367 4.804 -4.012 1.00 31.25 H new ATOM 0 HG21 VAL A 51 -0.096 3.457 -5.625 1.00 21.13 H new ATOM 0 HG22 VAL A 51 -0.698 2.814 -4.079 1.00 21.13 H new ATOM 0 HG23 VAL A 51 -0.682 1.780 -5.527 1.00 21.13 H new ATOM 717 N LYS A 52 -5.593 2.991 -4.685 1.00 3.04 N ATOM 718 CA LYS A 52 -6.944 3.184 -5.135 1.00 64.20 C ATOM 719 C LYS A 52 -7.230 4.652 -5.357 1.00 4.34 C ATOM 720 O LYS A 52 -8.005 5.011 -6.229 1.00 1.22 O ATOM 721 CB LYS A 52 -7.943 2.544 -4.153 1.00 31.43 C ATOM 722 CG LYS A 52 -9.403 2.604 -4.610 1.00 42.43 C ATOM 723 CD LYS A 52 -10.334 1.754 -3.740 1.00 23.22 C ATOM 724 CE LYS A 52 -10.367 2.211 -2.290 1.00 44.12 C ATOM 725 NZ LYS A 52 -11.252 1.360 -1.463 1.00 45.14 N ATOM 0 H LYS A 52 -5.450 3.168 -3.691 1.00 3.04 H new ATOM 0 HA LYS A 52 -7.066 2.681 -6.095 1.00 64.20 H new ATOM 0 HB2 LYS A 52 -7.665 1.501 -3.999 1.00 31.43 H new ATOM 0 HB3 LYS A 52 -7.856 3.043 -3.188 1.00 31.43 H new ATOM 0 HG2 LYS A 52 -9.742 3.640 -4.592 1.00 42.43 H new ATOM 0 HG3 LYS A 52 -9.469 2.265 -5.644 1.00 42.43 H new ATOM 0 HD2 LYS A 52 -11.343 1.792 -4.151 1.00 23.22 H new ATOM 0 HD3 LYS A 52 -10.012 0.713 -3.781 1.00 23.22 H new ATOM 0 HE2 LYS A 52 -9.357 2.191 -1.880 1.00 44.12 H new ATOM 0 HE3 LYS A 52 -10.710 3.245 -2.243 1.00 44.12 H new ATOM 0 HZ1 LYS A 52 -11.341 1.772 -0.512 1.00 45.14 H new ATOM 0 HZ2 LYS A 52 -12.192 1.304 -1.905 1.00 45.14 H new ATOM 0 HZ3 LYS A 52 -10.846 0.405 -1.390 1.00 45.14 H new ATOM 739 N ARG A 53 -6.590 5.492 -4.594 1.00 43.13 N ATOM 740 CA ARG A 53 -6.827 6.917 -4.727 1.00 71.04 C ATOM 741 C ARG A 53 -5.507 7.652 -4.662 1.00 44.52 C ATOM 742 O ARG A 53 -4.676 7.352 -3.797 1.00 33.11 O ATOM 743 CB ARG A 53 -7.786 7.421 -3.632 1.00 52.23 C ATOM 744 CG ARG A 53 -8.270 8.854 -3.838 1.00 51.25 C ATOM 745 CD ARG A 53 -9.190 9.314 -2.717 1.00 45.13 C ATOM 746 NE ARG A 53 -9.780 10.633 -3.008 1.00 55.44 N ATOM 747 CZ ARG A 53 -10.444 11.403 -2.132 1.00 50.31 C ATOM 748 NH1 ARG A 53 -10.536 11.067 -0.863 1.00 30.41 N ATOM 749 NH2 ARG A 53 -11.019 12.517 -2.538 1.00 54.01 N ATOM 0 H ARG A 53 -5.909 5.229 -3.882 1.00 43.13 H new ATOM 0 HA ARG A 53 -7.298 7.110 -5.691 1.00 71.04 H new ATOM 0 HB2 ARG A 53 -8.651 6.759 -3.589 1.00 52.23 H new ATOM 0 HB3 ARG A 53 -7.285 7.353 -2.666 1.00 52.23 H new ATOM 0 HG2 ARG A 53 -7.410 9.521 -3.898 1.00 51.25 H new ATOM 0 HG3 ARG A 53 -8.796 8.925 -4.790 1.00 51.25 H new ATOM 0 HD2 ARG A 53 -9.985 8.582 -2.574 1.00 45.13 H new ATOM 0 HD3 ARG A 53 -8.630 9.363 -1.783 1.00 45.13 H new ATOM 0 HE ARG A 53 -9.675 10.992 -3.957 1.00 55.44 H new ATOM 0 HH11 ARG A 53 -10.098 10.208 -0.530 1.00 30.41 H new ATOM 0 HH12 ARG A 53 -11.045 11.666 -0.213 1.00 30.41 H new ATOM 0 HH21 ARG A 53 -10.959 12.794 -3.518 1.00 54.01 H new ATOM 0 HH22 ARG A 53 -11.524 13.102 -1.872 1.00 54.01 H new ATOM 763 N GLY A 54 -5.298 8.551 -5.593 1.00 64.55 N ATOM 764 CA GLY A 54 -4.092 9.334 -5.644 1.00 14.41 C ATOM 765 C GLY A 54 -3.615 9.486 -7.075 1.00 44.24 C ATOM 766 O GLY A 54 -4.215 8.906 -7.975 1.00 41.25 O ATOM 0 H GLY A 54 -5.963 8.759 -6.338 1.00 64.55 H new ATOM 0 HA2 GLY A 54 -4.271 10.317 -5.208 1.00 14.41 H new ATOM 0 HA3 GLY A 54 -3.316 8.857 -5.045 1.00 14.41 H new ATOM 770 N PRO A 55 -2.556 10.270 -7.331 1.00 40.10 N ATOM 771 CA PRO A 55 -2.007 10.448 -8.687 1.00 71.45 C ATOM 772 C PRO A 55 -1.537 9.127 -9.309 1.00 4.51 C ATOM 773 O PRO A 55 -1.750 8.873 -10.487 1.00 63.22 O ATOM 774 CB PRO A 55 -0.802 11.383 -8.470 1.00 31.13 C ATOM 775 CG PRO A 55 -0.511 11.296 -7.016 1.00 2.03 C ATOM 776 CD PRO A 55 -1.838 11.090 -6.356 1.00 53.35 C ATOM 0 HA PRO A 55 -2.757 10.841 -9.374 1.00 71.45 H new ATOM 0 HB2 PRO A 55 0.055 11.068 -9.065 1.00 31.13 H new ATOM 0 HB3 PRO A 55 -1.036 12.406 -8.766 1.00 31.13 H new ATOM 0 HG2 PRO A 55 0.167 10.471 -6.800 1.00 2.03 H new ATOM 0 HG3 PRO A 55 -0.031 12.206 -6.656 1.00 2.03 H new ATOM 0 HD2 PRO A 55 -1.739 10.584 -5.396 1.00 53.35 H new ATOM 0 HD3 PRO A 55 -2.348 12.035 -6.167 1.00 53.35 H new ATOM 784 N ASN A 56 -0.924 8.290 -8.498 1.00 62.31 N ATOM 785 CA ASN A 56 -0.375 7.018 -8.952 1.00 34.22 C ATOM 786 C ASN A 56 -1.355 5.852 -8.729 1.00 3.21 C ATOM 787 O ASN A 56 -0.952 4.679 -8.702 1.00 14.21 O ATOM 788 CB ASN A 56 0.983 6.772 -8.265 1.00 21.41 C ATOM 789 CG ASN A 56 0.900 6.760 -6.750 1.00 62.22 C ATOM 790 OD1 ASN A 56 0.918 7.809 -6.112 1.00 72.41 O ATOM 791 ND2 ASN A 56 0.857 5.601 -6.166 1.00 72.21 N ATOM 0 H ASN A 56 -0.789 8.468 -7.503 1.00 62.31 H new ATOM 0 HA ASN A 56 -0.217 7.071 -10.029 1.00 34.22 H new ATOM 0 HB2 ASN A 56 1.387 5.819 -8.607 1.00 21.41 H new ATOM 0 HB3 ASN A 56 1.685 7.546 -8.577 1.00 21.41 H new ATOM 0 HD21 ASN A 56 0.837 5.543 -5.148 1.00 72.21 H new ATOM 0 HD22 ASN A 56 0.843 4.748 -6.725 1.00 72.21 H new ATOM 798 N ALA A 57 -2.643 6.181 -8.617 1.00 34.35 N ATOM 799 CA ALA A 57 -3.705 5.193 -8.432 1.00 63.34 C ATOM 800 C ALA A 57 -3.800 4.269 -9.633 1.00 63.10 C ATOM 801 O ALA A 57 -3.590 4.689 -10.782 1.00 42.25 O ATOM 802 CB ALA A 57 -5.042 5.867 -8.185 1.00 10.43 C ATOM 0 H ALA A 57 -2.979 7.143 -8.652 1.00 34.35 H new ATOM 0 HA ALA A 57 -3.452 4.598 -7.554 1.00 63.34 H new ATOM 0 HB1 ALA A 57 -5.813 5.108 -8.051 1.00 10.43 H new ATOM 0 HB2 ALA A 57 -4.979 6.482 -7.288 1.00 10.43 H new ATOM 0 HB3 ALA A 57 -5.296 6.495 -9.039 1.00 10.43 H new ATOM 808 N GLY A 58 -4.095 3.027 -9.369 1.00 2.13 N ATOM 809 CA GLY A 58 -4.155 2.037 -10.403 1.00 23.25 C ATOM 810 C GLY A 58 -2.975 1.118 -10.310 1.00 12.34 C ATOM 811 O GLY A 58 -2.980 0.015 -10.855 1.00 43.05 O ATOM 0 H GLY A 58 -4.300 2.675 -8.434 1.00 2.13 H new ATOM 0 HA2 GLY A 58 -5.078 1.465 -10.315 1.00 23.25 H new ATOM 0 HA3 GLY A 58 -4.172 2.521 -11.379 1.00 23.25 H new ATOM 815 N ALA A 59 -1.960 1.570 -9.610 1.00 75.45 N ATOM 816 CA ALA A 59 -0.767 0.783 -9.426 1.00 64.34 C ATOM 817 C ALA A 59 -0.975 -0.237 -8.323 1.00 31.02 C ATOM 818 O ALA A 59 -1.493 0.092 -7.248 1.00 44.15 O ATOM 819 CB ALA A 59 0.415 1.678 -9.102 1.00 50.45 C ATOM 0 H ALA A 59 -1.939 2.484 -9.157 1.00 75.45 H new ATOM 0 HA ALA A 59 -0.554 0.254 -10.355 1.00 64.34 H new ATOM 0 HB1 ALA A 59 1.307 1.067 -8.966 1.00 50.45 H new ATOM 0 HB2 ALA A 59 0.576 2.379 -9.921 1.00 50.45 H new ATOM 0 HB3 ALA A 59 0.212 2.232 -8.186 1.00 50.45 H new ATOM 825 N ARG A 60 -0.611 -1.459 -8.599 1.00 40.23 N ATOM 826 CA ARG A 60 -0.666 -2.522 -7.630 1.00 45.43 C ATOM 827 C ARG A 60 0.692 -3.170 -7.535 1.00 2.22 C ATOM 828 O ARG A 60 1.365 -3.369 -8.554 1.00 64.10 O ATOM 829 CB ARG A 60 -1.777 -3.556 -7.937 1.00 21.53 C ATOM 830 CG ARG A 60 -1.767 -4.133 -9.346 1.00 73.30 C ATOM 831 CD ARG A 60 -2.803 -5.240 -9.495 1.00 63.04 C ATOM 832 NE ARG A 60 -2.990 -5.653 -10.900 1.00 14.42 N ATOM 833 CZ ARG A 60 -2.981 -6.928 -11.352 1.00 72.11 C ATOM 834 NH1 ARG A 60 -2.565 -7.916 -10.575 1.00 61.33 N ATOM 835 NH2 ARG A 60 -3.351 -7.193 -12.599 1.00 72.22 N ATOM 0 H ARG A 60 -0.264 -1.749 -9.513 1.00 40.23 H new ATOM 0 HA ARG A 60 -0.931 -2.093 -6.664 1.00 45.43 H new ATOM 0 HB2 ARG A 60 -1.690 -4.378 -7.226 1.00 21.53 H new ATOM 0 HB3 ARG A 60 -2.745 -3.085 -7.763 1.00 21.53 H new ATOM 0 HG2 ARG A 60 -1.970 -3.342 -10.067 1.00 73.30 H new ATOM 0 HG3 ARG A 60 -0.776 -4.526 -9.574 1.00 73.30 H new ATOM 0 HD2 ARG A 60 -2.496 -6.103 -8.904 1.00 63.04 H new ATOM 0 HD3 ARG A 60 -3.756 -4.899 -9.090 1.00 63.04 H new ATOM 0 HE ARG A 60 -3.139 -4.915 -11.588 1.00 14.42 H new ATOM 0 HH11 ARG A 60 -2.247 -7.719 -9.626 1.00 61.33 H new ATOM 0 HH12 ARG A 60 -2.562 -8.874 -10.925 1.00 61.33 H new ATOM 0 HH21 ARG A 60 -3.642 -6.435 -13.217 1.00 72.22 H new ATOM 0 HH22 ARG A 60 -3.344 -8.154 -12.940 1.00 72.22 H new ATOM 849 N PHE A 61 1.115 -3.440 -6.331 1.00 62.43 N ATOM 850 CA PHE A 61 2.419 -4.019 -6.067 1.00 44.14 C ATOM 851 C PHE A 61 2.258 -5.189 -5.130 1.00 23.25 C ATOM 852 O PHE A 61 1.446 -5.122 -4.202 1.00 42.11 O ATOM 853 CB PHE A 61 3.350 -2.982 -5.408 1.00 31.03 C ATOM 854 CG PHE A 61 3.641 -1.761 -6.240 1.00 70.12 C ATOM 855 CD1 PHE A 61 4.726 -1.736 -7.099 1.00 14.41 C ATOM 856 CD2 PHE A 61 2.836 -0.633 -6.150 1.00 10.24 C ATOM 857 CE1 PHE A 61 5.003 -0.614 -7.851 1.00 33.11 C ATOM 858 CE2 PHE A 61 3.107 0.490 -6.900 1.00 21.45 C ATOM 859 CZ PHE A 61 4.192 0.499 -7.750 1.00 54.13 C ATOM 0 H PHE A 61 0.564 -3.265 -5.491 1.00 62.43 H new ATOM 0 HA PHE A 61 2.857 -4.341 -7.012 1.00 44.14 H new ATOM 0 HB2 PHE A 61 2.903 -2.662 -4.467 1.00 31.03 H new ATOM 0 HB3 PHE A 61 4.294 -3.469 -5.163 1.00 31.03 H new ATOM 0 HD1 PHE A 61 5.362 -2.605 -7.181 1.00 14.41 H new ATOM 0 HD2 PHE A 61 1.986 -0.636 -5.483 1.00 10.24 H new ATOM 0 HE1 PHE A 61 5.853 -0.606 -8.518 1.00 33.11 H new ATOM 0 HE2 PHE A 61 2.472 1.360 -6.822 1.00 21.45 H new ATOM 0 HZ PHE A 61 4.408 1.378 -8.338 1.00 54.13 H new ATOM 869 N LEU A 62 3.009 -6.239 -5.353 1.00 1.11 N ATOM 870 CA LEU A 62 2.949 -7.399 -4.495 1.00 61.35 C ATOM 871 C LEU A 62 4.133 -7.392 -3.556 1.00 14.52 C ATOM 872 O LEU A 62 5.225 -6.961 -3.929 1.00 42.23 O ATOM 873 CB LEU A 62 2.752 -8.774 -5.262 1.00 40.24 C ATOM 874 CG LEU A 62 3.807 -9.305 -6.302 1.00 71.40 C ATOM 875 CD1 LEU A 62 4.045 -8.362 -7.468 1.00 13.04 C ATOM 876 CD2 LEU A 62 5.120 -9.726 -5.648 1.00 24.42 C ATOM 0 H LEU A 62 3.672 -6.315 -6.124 1.00 1.11 H new ATOM 0 HA LEU A 62 2.038 -7.323 -3.902 1.00 61.35 H new ATOM 0 HB2 LEU A 62 2.644 -9.546 -4.501 1.00 40.24 H new ATOM 0 HB3 LEU A 62 1.799 -8.708 -5.786 1.00 40.24 H new ATOM 0 HG LEU A 62 3.352 -10.201 -6.724 1.00 71.40 H new ATOM 0 HD11 LEU A 62 4.784 -8.796 -8.142 1.00 13.04 H new ATOM 0 HD12 LEU A 62 3.110 -8.206 -8.006 1.00 13.04 H new ATOM 0 HD13 LEU A 62 4.412 -7.406 -7.094 1.00 13.04 H new ATOM 0 HD21 LEU A 62 5.809 -10.083 -6.413 1.00 24.42 H new ATOM 0 HD22 LEU A 62 5.560 -8.872 -5.133 1.00 24.42 H new ATOM 0 HD23 LEU A 62 4.929 -10.524 -4.930 1.00 24.42 H new ATOM 888 N LEU A 63 3.930 -7.833 -2.351 1.00 51.24 N ATOM 889 CA LEU A 63 4.964 -7.760 -1.354 1.00 62.00 C ATOM 890 C LEU A 63 5.715 -9.072 -1.230 1.00 14.33 C ATOM 891 O LEU A 63 5.126 -10.115 -0.939 1.00 53.25 O ATOM 892 CB LEU A 63 4.372 -7.344 -0.005 1.00 13.42 C ATOM 893 CG LEU A 63 3.624 -6.002 0.009 1.00 13.02 C ATOM 894 CD1 LEU A 63 3.056 -5.722 1.387 1.00 1.33 C ATOM 895 CD2 LEU A 63 4.536 -4.861 -0.432 1.00 1.24 C ATOM 0 H LEU A 63 3.056 -8.249 -2.030 1.00 51.24 H new ATOM 0 HA LEU A 63 5.682 -7.003 -1.671 1.00 62.00 H new ATOM 0 HB2 LEU A 63 3.687 -8.124 0.326 1.00 13.42 H new ATOM 0 HB3 LEU A 63 5.179 -7.297 0.726 1.00 13.42 H new ATOM 0 HG LEU A 63 2.799 -6.071 -0.700 1.00 13.02 H new ATOM 0 HD11 LEU A 63 2.530 -4.767 1.377 1.00 1.33 H new ATOM 0 HD12 LEU A 63 2.362 -6.516 1.663 1.00 1.33 H new ATOM 0 HD13 LEU A 63 3.867 -5.681 2.114 1.00 1.33 H new ATOM 0 HD21 LEU A 63 3.981 -3.923 -0.413 1.00 1.24 H new ATOM 0 HD22 LEU A 63 5.387 -4.793 0.246 1.00 1.24 H new ATOM 0 HD23 LEU A 63 4.893 -5.051 -1.444 1.00 1.24 H new ATOM 907 N ASP A 64 7.000 -9.013 -1.502 1.00 63.22 N ATOM 908 CA ASP A 64 7.907 -10.159 -1.342 1.00 21.42 C ATOM 909 C ASP A 64 9.061 -9.742 -0.447 1.00 54.23 C ATOM 910 O ASP A 64 9.976 -10.513 -0.163 1.00 71.34 O ATOM 911 CB ASP A 64 8.474 -10.632 -2.706 1.00 71.24 C ATOM 912 CG ASP A 64 9.399 -9.617 -3.383 1.00 23.20 C ATOM 913 OD1 ASP A 64 10.607 -9.560 -3.055 1.00 34.42 O ATOM 914 OD2 ASP A 64 8.931 -8.864 -4.268 1.00 24.51 O ATOM 0 H ASP A 64 7.461 -8.169 -1.843 1.00 63.22 H new ATOM 0 HA ASP A 64 7.347 -10.984 -0.902 1.00 21.42 H new ATOM 0 HB2 ASP A 64 9.021 -11.563 -2.557 1.00 71.24 H new ATOM 0 HB3 ASP A 64 7.643 -10.854 -3.376 1.00 71.24 H new ATOM 919 N GLN A 65 8.984 -8.531 0.021 1.00 33.13 N ATOM 920 CA GLN A 65 10.040 -7.931 0.794 1.00 61.32 C ATOM 921 C GLN A 65 9.606 -7.764 2.244 1.00 60.34 C ATOM 922 O GLN A 65 8.417 -7.611 2.520 1.00 22.51 O ATOM 923 CB GLN A 65 10.437 -6.591 0.160 1.00 43.22 C ATOM 924 CG GLN A 65 9.275 -5.640 -0.034 1.00 2.30 C ATOM 925 CD GLN A 65 9.629 -4.428 -0.866 1.00 51.44 C ATOM 926 OE1 GLN A 65 10.032 -3.390 -0.343 1.00 31.11 O ATOM 927 NE2 GLN A 65 9.484 -4.550 -2.149 1.00 41.35 N ATOM 0 H GLN A 65 8.178 -7.922 -0.123 1.00 33.13 H new ATOM 0 HA GLN A 65 10.914 -8.582 0.791 1.00 61.32 H new ATOM 0 HB2 GLN A 65 11.187 -6.110 0.788 1.00 43.22 H new ATOM 0 HB3 GLN A 65 10.904 -6.781 -0.806 1.00 43.22 H new ATOM 0 HG2 GLN A 65 8.453 -6.173 -0.512 1.00 2.30 H new ATOM 0 HG3 GLN A 65 8.917 -5.311 0.941 1.00 2.30 H new ATOM 0 HE21 GLN A 65 9.147 -5.428 -2.543 1.00 41.35 H new ATOM 0 HE22 GLN A 65 9.707 -3.768 -2.764 1.00 41.35 H new ATOM 936 N PRO A 66 10.556 -7.842 3.189 1.00 3.14 N ATOM 937 CA PRO A 66 10.271 -7.700 4.623 1.00 51.42 C ATOM 938 C PRO A 66 9.940 -6.255 5.042 1.00 42.13 C ATOM 939 O PRO A 66 9.428 -6.024 6.134 1.00 50.21 O ATOM 940 CB PRO A 66 11.571 -8.162 5.290 1.00 11.11 C ATOM 941 CG PRO A 66 12.624 -7.855 4.286 1.00 25.34 C ATOM 942 CD PRO A 66 11.994 -8.107 2.947 1.00 64.31 C ATOM 0 HA PRO A 66 9.390 -8.275 4.909 1.00 51.42 H new ATOM 0 HB2 PRO A 66 11.748 -7.634 6.227 1.00 11.11 H new ATOM 0 HB3 PRO A 66 11.542 -9.226 5.525 1.00 11.11 H new ATOM 0 HG2 PRO A 66 12.959 -6.821 4.373 1.00 25.34 H new ATOM 0 HG3 PRO A 66 13.500 -8.487 4.432 1.00 25.34 H new ATOM 0 HD2 PRO A 66 12.401 -7.447 2.181 1.00 64.31 H new ATOM 0 HD3 PRO A 66 12.163 -9.130 2.609 1.00 64.31 H new ATOM 950 N THR A 67 10.249 -5.291 4.206 1.00 51.21 N ATOM 951 CA THR A 67 9.997 -3.901 4.533 1.00 71.54 C ATOM 952 C THR A 67 9.796 -3.077 3.273 1.00 61.23 C ATOM 953 O THR A 67 10.636 -3.086 2.377 1.00 62.33 O ATOM 954 CB THR A 67 11.143 -3.292 5.398 1.00 65.01 C ATOM 955 OG1 THR A 67 11.269 -4.041 6.626 1.00 22.22 O ATOM 956 CG2 THR A 67 10.864 -1.825 5.735 1.00 40.45 C ATOM 0 H THR A 67 10.676 -5.441 3.292 1.00 51.21 H new ATOM 0 HA THR A 67 9.081 -3.871 5.123 1.00 71.54 H new ATOM 0 HB THR A 67 12.067 -3.347 4.823 1.00 65.01 H new ATOM 0 HG1 THR A 67 11.990 -3.660 7.169 1.00 22.22 H new ATOM 0 HG21 THR A 67 11.681 -1.429 6.339 1.00 40.45 H new ATOM 0 HG22 THR A 67 10.782 -1.249 4.813 1.00 40.45 H new ATOM 0 HG23 THR A 67 9.931 -1.751 6.294 1.00 40.45 H new ATOM 964 N THR A 68 8.679 -2.411 3.210 1.00 15.45 N ATOM 965 CA THR A 68 8.340 -1.558 2.113 1.00 11.03 C ATOM 966 C THR A 68 8.103 -0.142 2.646 1.00 74.35 C ATOM 967 O THR A 68 7.172 0.080 3.408 1.00 5.41 O ATOM 968 CB THR A 68 7.053 -2.078 1.446 1.00 42.12 C ATOM 969 OG1 THR A 68 7.226 -3.466 1.160 1.00 30.33 O ATOM 970 CG2 THR A 68 6.778 -1.341 0.148 1.00 62.34 C ATOM 0 H THR A 68 7.965 -2.448 3.937 1.00 15.45 H new ATOM 0 HA THR A 68 9.148 -1.548 1.382 1.00 11.03 H new ATOM 0 HB THR A 68 6.212 -1.917 2.121 1.00 42.12 H new ATOM 0 HG1 THR A 68 7.280 -3.596 0.190 1.00 30.33 H new ATOM 0 HG21 THR A 68 5.864 -1.727 -0.303 1.00 62.34 H new ATOM 0 HG22 THR A 68 6.661 -0.277 0.352 1.00 62.34 H new ATOM 0 HG23 THR A 68 7.612 -1.489 -0.538 1.00 62.34 H new ATOM 978 N THR A 69 8.941 0.788 2.277 1.00 4.12 N ATOM 979 CA THR A 69 8.790 2.145 2.743 1.00 11.13 C ATOM 980 C THR A 69 7.873 2.926 1.794 1.00 33.13 C ATOM 981 O THR A 69 7.974 2.783 0.565 1.00 32.30 O ATOM 982 CB THR A 69 10.173 2.845 2.910 1.00 10.32 C ATOM 983 OG1 THR A 69 10.996 2.080 3.826 1.00 50.31 O ATOM 984 CG2 THR A 69 10.023 4.263 3.457 1.00 2.52 C ATOM 0 H THR A 69 9.735 0.634 1.656 1.00 4.12 H new ATOM 0 HA THR A 69 8.325 2.124 3.729 1.00 11.13 H new ATOM 0 HB THR A 69 10.638 2.899 1.926 1.00 10.32 H new ATOM 0 HG1 THR A 69 10.830 2.380 4.744 1.00 50.31 H new ATOM 0 HG21 THR A 69 11.008 4.719 3.560 1.00 2.52 H new ATOM 0 HG22 THR A 69 9.418 4.856 2.771 1.00 2.52 H new ATOM 0 HG23 THR A 69 9.536 4.227 4.431 1.00 2.52 H new ATOM 992 N ALA A 70 6.980 3.724 2.360 1.00 75.41 N ATOM 993 CA ALA A 70 6.043 4.484 1.589 1.00 21.40 C ATOM 994 C ALA A 70 6.256 5.965 1.813 1.00 42.23 C ATOM 995 O ALA A 70 6.429 6.441 2.980 1.00 11.31 O ATOM 996 CB ALA A 70 4.620 4.106 1.971 1.00 12.12 C ATOM 0 H ALA A 70 6.895 3.854 3.368 1.00 75.41 H new ATOM 0 HA ALA A 70 6.201 4.259 0.534 1.00 21.40 H new ATOM 0 HB1 ALA A 70 3.917 4.691 1.378 1.00 12.12 H new ATOM 0 HB2 ALA A 70 4.462 3.045 1.780 1.00 12.12 H new ATOM 0 HB3 ALA A 70 4.461 4.312 3.030 1.00 12.12 H new ATOM 1002 N GLY A 71 6.246 6.683 0.715 1.00 23.40 N ATOM 1003 CA GLY A 71 6.436 8.094 0.720 1.00 52.52 C ATOM 1004 C GLY A 71 7.196 8.516 -0.509 1.00 24.33 C ATOM 1005 O GLY A 71 6.919 8.031 -1.611 1.00 30.14 O ATOM 0 H GLY A 71 6.103 6.288 -0.214 1.00 23.40 H new ATOM 0 HA2 GLY A 71 5.471 8.599 0.752 1.00 52.52 H new ATOM 0 HA3 GLY A 71 6.981 8.393 1.615 1.00 52.52 H new ATOM 1009 N ARG A 72 8.145 9.374 -0.324 1.00 23.32 N ATOM 1010 CA ARG A 72 8.995 9.853 -1.376 1.00 1.34 C ATOM 1011 C ARG A 72 10.417 9.456 -1.076 1.00 23.14 C ATOM 1012 O ARG A 72 10.896 9.745 -0.007 1.00 5.51 O ATOM 1013 CB ARG A 72 8.830 11.403 -1.536 1.00 13.00 C ATOM 1014 CG ARG A 72 9.939 12.138 -2.311 1.00 41.22 C ATOM 1015 CD ARG A 72 11.135 12.474 -1.417 1.00 61.43 C ATOM 1016 NE ARG A 72 12.326 12.849 -2.176 1.00 53.24 N ATOM 1017 CZ ARG A 72 13.471 13.264 -1.622 1.00 63.10 C ATOM 1018 NH1 ARG A 72 13.516 13.596 -0.336 1.00 31.20 N ATOM 1019 NH2 ARG A 72 14.560 13.382 -2.362 1.00 22.43 N ATOM 0 H ARG A 72 8.360 9.776 0.588 1.00 23.32 H new ATOM 0 HA ARG A 72 8.713 9.404 -2.328 1.00 1.34 H new ATOM 0 HB2 ARG A 72 7.881 11.595 -2.036 1.00 13.00 H new ATOM 0 HB3 ARG A 72 8.761 11.843 -0.541 1.00 13.00 H new ATOM 0 HG2 ARG A 72 10.271 11.518 -3.144 1.00 41.22 H new ATOM 0 HG3 ARG A 72 9.536 13.056 -2.738 1.00 41.22 H new ATOM 0 HD2 ARG A 72 10.864 13.291 -0.749 1.00 61.43 H new ATOM 0 HD3 ARG A 72 11.366 11.613 -0.790 1.00 61.43 H new ATOM 0 HE ARG A 72 12.282 12.791 -3.193 1.00 53.24 H new ATOM 0 HH11 ARG A 72 12.674 13.535 0.236 1.00 31.20 H new ATOM 0 HH12 ARG A 72 14.393 13.911 0.079 1.00 31.20 H new ATOM 0 HH21 ARG A 72 14.528 13.157 -3.356 1.00 22.43 H new ATOM 0 HH22 ARG A 72 15.432 13.698 -1.939 1.00 22.43 H new ATOM 1033 N HIS A 73 11.051 8.761 -2.011 1.00 74.31 N ATOM 1034 CA HIS A 73 12.470 8.368 -1.937 1.00 45.44 C ATOM 1035 C HIS A 73 12.726 7.357 -3.027 1.00 70.42 C ATOM 1036 O HIS A 73 11.796 6.639 -3.410 1.00 13.43 O ATOM 1037 CB HIS A 73 12.823 7.714 -0.588 1.00 55.25 C ATOM 1038 CG HIS A 73 13.965 8.361 0.127 1.00 34.43 C ATOM 1039 ND1 HIS A 73 14.703 7.737 1.102 1.00 61.51 N ATOM 1040 CD2 HIS A 73 14.476 9.614 0.013 1.00 11.12 C ATOM 1041 CE1 HIS A 73 15.615 8.596 1.543 1.00 71.52 C ATOM 1042 NE2 HIS A 73 15.524 9.761 0.911 1.00 12.20 N ATOM 0 H HIS A 73 10.592 8.443 -2.864 1.00 74.31 H new ATOM 0 HA HIS A 73 13.080 9.264 -2.049 1.00 45.44 H new ATOM 0 HB2 HIS A 73 11.944 7.740 0.056 1.00 55.25 H new ATOM 0 HB3 HIS A 73 13.063 6.664 -0.758 1.00 55.25 H new ATOM 0 HD2 HIS A 73 14.123 10.375 -0.668 1.00 11.12 H new ATOM 0 HE1 HIS A 73 16.337 8.376 2.315 1.00 71.52 H new ATOM 0 HE2 HIS A 73 16.102 10.589 1.055 1.00 12.20 H new ATOM 1050 N PRO A 74 13.957 7.266 -3.562 1.00 55.34 N ATOM 1051 CA PRO A 74 14.288 6.260 -4.570 1.00 43.04 C ATOM 1052 C PRO A 74 14.214 4.850 -3.997 1.00 53.22 C ATOM 1053 O PRO A 74 13.841 3.904 -4.689 1.00 31.44 O ATOM 1054 CB PRO A 74 15.729 6.594 -4.979 1.00 13.41 C ATOM 1055 CG PRO A 74 15.945 7.995 -4.526 1.00 42.23 C ATOM 1056 CD PRO A 74 15.103 8.162 -3.298 1.00 51.13 C ATOM 0 HA PRO A 74 13.591 6.281 -5.408 1.00 43.04 H new ATOM 0 HB2 PRO A 74 16.440 5.914 -4.510 1.00 13.41 H new ATOM 0 HB3 PRO A 74 15.864 6.503 -6.057 1.00 13.41 H new ATOM 0 HG2 PRO A 74 16.997 8.177 -4.306 1.00 42.23 H new ATOM 0 HG3 PRO A 74 15.653 8.705 -5.300 1.00 42.23 H new ATOM 0 HD2 PRO A 74 15.642 7.874 -2.396 1.00 51.13 H new ATOM 0 HD3 PRO A 74 14.785 9.196 -3.163 1.00 51.13 H new ATOM 1064 N GLU A 75 14.530 4.718 -2.716 1.00 2.31 N ATOM 1065 CA GLU A 75 14.511 3.423 -2.067 1.00 41.20 C ATOM 1066 C GLU A 75 13.124 3.057 -1.563 1.00 11.53 C ATOM 1067 O GLU A 75 12.911 1.946 -1.096 1.00 72.15 O ATOM 1068 CB GLU A 75 15.545 3.332 -0.948 1.00 32.23 C ATOM 1069 CG GLU A 75 16.971 3.502 -1.434 1.00 41.44 C ATOM 1070 CD GLU A 75 17.994 3.252 -0.361 1.00 74.33 C ATOM 1071 OE1 GLU A 75 18.260 4.160 0.444 1.00 62.23 O ATOM 1072 OE2 GLU A 75 18.593 2.154 -0.337 1.00 74.04 O ATOM 0 H GLU A 75 14.801 5.493 -2.110 1.00 2.31 H new ATOM 0 HA GLU A 75 14.784 2.691 -2.827 1.00 41.20 H new ATOM 0 HB2 GLU A 75 15.330 4.096 -0.201 1.00 32.23 H new ATOM 0 HB3 GLU A 75 15.450 2.366 -0.453 1.00 32.23 H new ATOM 0 HG2 GLU A 75 17.149 2.818 -2.264 1.00 41.44 H new ATOM 0 HG3 GLU A 75 17.099 4.513 -1.821 1.00 41.44 H new ATOM 1079 N SER A 76 12.189 3.976 -1.666 1.00 51.20 N ATOM 1080 CA SER A 76 10.831 3.688 -1.294 1.00 15.41 C ATOM 1081 C SER A 76 10.157 3.002 -2.465 1.00 2.44 C ATOM 1082 O SER A 76 9.944 3.618 -3.518 1.00 0.54 O ATOM 1083 CB SER A 76 10.100 4.965 -0.876 1.00 4.12 C ATOM 1084 OG SER A 76 10.750 5.556 0.249 1.00 62.12 O ATOM 0 H SER A 76 12.348 4.925 -2.004 1.00 51.20 H new ATOM 0 HA SER A 76 10.806 3.024 -0.430 1.00 15.41 H new ATOM 0 HB2 SER A 76 10.080 5.671 -1.707 1.00 4.12 H new ATOM 0 HB3 SER A 76 9.064 4.736 -0.628 1.00 4.12 H new ATOM 0 HG SER A 76 10.276 6.374 0.508 1.00 62.12 H new ATOM 1090 N ASP A 77 9.887 1.719 -2.283 1.00 22.34 N ATOM 1091 CA ASP A 77 9.333 0.834 -3.321 1.00 22.42 C ATOM 1092 C ASP A 77 8.043 1.423 -3.898 1.00 3.50 C ATOM 1093 O ASP A 77 7.833 1.452 -5.129 1.00 61.55 O ATOM 1094 CB ASP A 77 9.059 -0.540 -2.698 1.00 10.34 C ATOM 1095 CG ASP A 77 8.811 -1.643 -3.703 1.00 11.23 C ATOM 1096 OD1 ASP A 77 7.732 -1.702 -4.306 1.00 44.51 O ATOM 1097 OD2 ASP A 77 9.714 -2.496 -3.881 1.00 42.21 O ATOM 0 H ASP A 77 10.047 1.244 -1.394 1.00 22.34 H new ATOM 0 HA ASP A 77 10.049 0.734 -4.137 1.00 22.42 H new ATOM 0 HB2 ASP A 77 9.908 -0.818 -2.073 1.00 10.34 H new ATOM 0 HB3 ASP A 77 8.192 -0.462 -2.041 1.00 10.34 H new ATOM 1102 N ILE A 78 7.208 1.933 -3.019 1.00 2.25 N ATOM 1103 CA ILE A 78 5.993 2.574 -3.423 1.00 41.32 C ATOM 1104 C ILE A 78 6.105 4.088 -3.245 1.00 53.45 C ATOM 1105 O ILE A 78 6.137 4.619 -2.120 1.00 42.23 O ATOM 1106 CB ILE A 78 4.735 1.987 -2.723 1.00 43.43 C ATOM 1107 CG1 ILE A 78 4.860 2.015 -1.193 1.00 22.24 C ATOM 1108 CG2 ILE A 78 4.503 0.564 -3.206 1.00 74.03 C ATOM 1109 CD1 ILE A 78 3.624 1.518 -0.471 1.00 62.34 C ATOM 0 H ILE A 78 7.358 1.911 -2.010 1.00 2.25 H new ATOM 0 HA ILE A 78 5.852 2.367 -4.484 1.00 41.32 H new ATOM 0 HB ILE A 78 3.882 2.611 -2.987 1.00 43.43 H new ATOM 0 HG12 ILE A 78 5.713 1.405 -0.896 1.00 22.24 H new ATOM 0 HG13 ILE A 78 5.071 3.035 -0.873 1.00 22.24 H new ATOM 0 HG21 ILE A 78 3.621 0.152 -2.715 1.00 74.03 H new ATOM 0 HG22 ILE A 78 4.350 0.566 -4.285 1.00 74.03 H new ATOM 0 HG23 ILE A 78 5.372 -0.048 -2.964 1.00 74.03 H new ATOM 0 HD11 ILE A 78 3.787 1.567 0.606 1.00 62.34 H new ATOM 0 HD12 ILE A 78 2.771 2.142 -0.738 1.00 62.34 H new ATOM 0 HD13 ILE A 78 3.423 0.487 -0.761 1.00 62.34 H new ATOM 1121 N PHE A 79 6.216 4.764 -4.351 1.00 43.54 N ATOM 1122 CA PHE A 79 6.410 6.186 -4.368 1.00 12.54 C ATOM 1123 C PHE A 79 5.070 6.893 -4.526 1.00 0.32 C ATOM 1124 O PHE A 79 4.277 6.552 -5.416 1.00 24.55 O ATOM 1125 CB PHE A 79 7.350 6.550 -5.530 1.00 23.51 C ATOM 1126 CG PHE A 79 7.829 7.982 -5.548 1.00 71.24 C ATOM 1127 CD1 PHE A 79 7.117 8.971 -6.214 1.00 64.42 C ATOM 1128 CD2 PHE A 79 9.005 8.328 -4.909 1.00 15.43 C ATOM 1129 CE1 PHE A 79 7.571 10.275 -6.234 1.00 55.13 C ATOM 1130 CE2 PHE A 79 9.462 9.628 -4.927 1.00 33.01 C ATOM 1131 CZ PHE A 79 8.745 10.602 -5.588 1.00 22.34 C ATOM 0 H PHE A 79 6.174 4.339 -5.278 1.00 43.54 H new ATOM 0 HA PHE A 79 6.858 6.508 -3.428 1.00 12.54 H new ATOM 0 HB2 PHE A 79 8.219 5.894 -5.491 1.00 23.51 H new ATOM 0 HB3 PHE A 79 6.837 6.344 -6.469 1.00 23.51 H new ATOM 0 HD1 PHE A 79 6.198 8.718 -6.722 1.00 64.42 H new ATOM 0 HD2 PHE A 79 9.573 7.570 -4.389 1.00 15.43 H new ATOM 0 HE1 PHE A 79 7.009 11.036 -6.754 1.00 55.13 H new ATOM 0 HE2 PHE A 79 10.382 9.884 -4.423 1.00 33.01 H new ATOM 0 HZ PHE A 79 9.102 11.621 -5.600 1.00 22.34 H new ATOM 1141 N LEU A 80 4.822 7.830 -3.654 1.00 73.15 N ATOM 1142 CA LEU A 80 3.639 8.665 -3.701 1.00 33.14 C ATOM 1143 C LEU A 80 4.129 10.059 -4.052 1.00 75.33 C ATOM 1144 O LEU A 80 5.135 10.508 -3.493 1.00 63.12 O ATOM 1145 CB LEU A 80 2.960 8.686 -2.320 1.00 44.34 C ATOM 1146 CG LEU A 80 2.603 7.320 -1.704 1.00 30.22 C ATOM 1147 CD1 LEU A 80 1.984 7.504 -0.329 1.00 62.30 C ATOM 1148 CD2 LEU A 80 1.664 6.532 -2.609 1.00 33.31 C ATOM 0 H LEU A 80 5.443 8.044 -2.874 1.00 73.15 H new ATOM 0 HA LEU A 80 2.914 8.296 -4.427 1.00 33.14 H new ATOM 0 HB2 LEU A 80 3.616 9.211 -1.626 1.00 44.34 H new ATOM 0 HB3 LEU A 80 2.045 9.273 -2.400 1.00 44.34 H new ATOM 0 HG LEU A 80 3.525 6.748 -1.601 1.00 30.22 H new ATOM 0 HD11 LEU A 80 1.738 6.529 0.092 1.00 62.30 H new ATOM 0 HD12 LEU A 80 2.693 8.013 0.324 1.00 62.30 H new ATOM 0 HD13 LEU A 80 1.077 8.102 -0.415 1.00 62.30 H new ATOM 0 HD21 LEU A 80 1.432 5.573 -2.146 1.00 33.31 H new ATOM 0 HD22 LEU A 80 0.743 7.096 -2.757 1.00 33.31 H new ATOM 0 HD23 LEU A 80 2.145 6.362 -3.572 1.00 33.31 H new ATOM 1160 N ASP A 81 3.464 10.736 -4.959 1.00 72.20 N ATOM 1161 CA ASP A 81 3.962 12.033 -5.414 1.00 42.23 C ATOM 1162 C ASP A 81 3.024 13.172 -5.058 1.00 3.43 C ATOM 1163 O ASP A 81 1.791 13.052 -5.176 1.00 14.24 O ATOM 1164 CB ASP A 81 4.229 12.032 -6.925 1.00 34.24 C ATOM 1165 CG ASP A 81 4.903 13.314 -7.402 1.00 23.23 C ATOM 1166 OD1 ASP A 81 6.149 13.398 -7.357 1.00 20.40 O ATOM 1167 OD2 ASP A 81 4.218 14.255 -7.837 1.00 70.42 O ATOM 0 H ASP A 81 2.595 10.428 -5.394 1.00 72.20 H new ATOM 0 HA ASP A 81 4.902 12.198 -4.888 1.00 42.23 H new ATOM 0 HB2 ASP A 81 4.858 11.179 -7.178 1.00 34.24 H new ATOM 0 HB3 ASP A 81 3.286 11.902 -7.457 1.00 34.24 H new ATOM 1172 N ASP A 82 3.615 14.254 -4.601 1.00 33.32 N ATOM 1173 CA ASP A 82 2.920 15.484 -4.273 1.00 74.25 C ATOM 1174 C ASP A 82 3.973 16.611 -4.256 1.00 24.44 C ATOM 1175 O ASP A 82 5.069 16.426 -4.817 1.00 21.53 O ATOM 1176 CB ASP A 82 2.184 15.356 -2.915 1.00 12.41 C ATOM 1177 CG ASP A 82 1.297 16.539 -2.635 1.00 24.03 C ATOM 1178 OD1 ASP A 82 0.267 16.684 -3.297 1.00 71.21 O ATOM 1179 OD2 ASP A 82 1.679 17.390 -1.827 1.00 13.44 O ATOM 0 H ASP A 82 4.621 14.306 -4.442 1.00 33.32 H new ATOM 0 HA ASP A 82 2.151 15.708 -5.013 1.00 74.25 H new ATOM 0 HB2 ASP A 82 1.584 14.446 -2.913 1.00 12.41 H new ATOM 0 HB3 ASP A 82 2.917 15.256 -2.114 1.00 12.41 H new ATOM 1184 N VAL A 83 3.672 17.742 -3.646 1.00 34.22 N ATOM 1185 CA VAL A 83 4.569 18.873 -3.584 1.00 53.03 C ATOM 1186 C VAL A 83 5.755 18.514 -2.700 1.00 24.55 C ATOM 1187 O VAL A 83 6.909 18.805 -3.026 1.00 30.30 O ATOM 1188 CB VAL A 83 3.849 20.128 -3.003 1.00 62.31 C ATOM 1189 CG1 VAL A 83 4.769 21.345 -2.998 1.00 62.10 C ATOM 1190 CG2 VAL A 83 2.569 20.431 -3.777 1.00 52.34 C ATOM 0 H VAL A 83 2.782 17.900 -3.173 1.00 34.22 H new ATOM 0 HA VAL A 83 4.905 19.110 -4.593 1.00 53.03 H new ATOM 0 HB VAL A 83 3.583 19.903 -1.970 1.00 62.31 H new ATOM 0 HG11 VAL A 83 4.236 22.202 -2.587 1.00 62.10 H new ATOM 0 HG12 VAL A 83 5.646 21.135 -2.386 1.00 62.10 H new ATOM 0 HG13 VAL A 83 5.083 21.568 -4.018 1.00 62.10 H new ATOM 0 HG21 VAL A 83 2.086 21.311 -3.352 1.00 52.34 H new ATOM 0 HG22 VAL A 83 2.812 20.620 -4.822 1.00 52.34 H new ATOM 0 HG23 VAL A 83 1.893 19.578 -3.710 1.00 52.34 H new ATOM 1200 N THR A 84 5.467 17.870 -1.591 1.00 14.21 N ATOM 1201 CA THR A 84 6.482 17.432 -0.660 1.00 10.23 C ATOM 1202 C THR A 84 5.955 16.255 0.169 1.00 62.11 C ATOM 1203 O THR A 84 5.163 16.435 1.089 1.00 30.01 O ATOM 1204 CB THR A 84 6.933 18.588 0.285 1.00 32.04 C ATOM 1205 OG1 THR A 84 7.408 19.707 -0.494 1.00 41.33 O ATOM 1206 CG2 THR A 84 8.048 18.129 1.223 1.00 73.21 C ATOM 0 H THR A 84 4.516 17.634 -1.308 1.00 14.21 H new ATOM 0 HA THR A 84 7.351 17.115 -1.237 1.00 10.23 H new ATOM 0 HB THR A 84 6.070 18.887 0.881 1.00 32.04 H new ATOM 0 HG1 THR A 84 7.408 19.467 -1.444 1.00 41.33 H new ATOM 0 HG21 THR A 84 8.342 18.955 1.870 1.00 73.21 H new ATOM 0 HG22 THR A 84 7.691 17.299 1.833 1.00 73.21 H new ATOM 0 HG23 THR A 84 8.907 17.804 0.636 1.00 73.21 H new ATOM 1214 N VAL A 85 6.360 15.061 -0.198 1.00 72.22 N ATOM 1215 CA VAL A 85 5.976 13.864 0.526 1.00 60.31 C ATOM 1216 C VAL A 85 7.177 13.459 1.362 1.00 71.24 C ATOM 1217 O VAL A 85 8.293 13.734 0.965 1.00 33.33 O ATOM 1218 CB VAL A 85 5.589 12.708 -0.445 1.00 73.32 C ATOM 1219 CG1 VAL A 85 5.047 11.496 0.302 1.00 11.04 C ATOM 1220 CG2 VAL A 85 4.581 13.180 -1.472 1.00 63.21 C ATOM 0 H VAL A 85 6.962 14.889 -1.003 1.00 72.22 H new ATOM 0 HA VAL A 85 5.101 14.063 1.145 1.00 60.31 H new ATOM 0 HB VAL A 85 6.501 12.404 -0.959 1.00 73.32 H new ATOM 0 HG11 VAL A 85 4.789 10.714 -0.412 1.00 11.04 H new ATOM 0 HG12 VAL A 85 5.806 11.124 0.990 1.00 11.04 H new ATOM 0 HG13 VAL A 85 4.157 11.782 0.863 1.00 11.04 H new ATOM 0 HG21 VAL A 85 4.327 12.355 -2.138 1.00 63.21 H new ATOM 0 HG22 VAL A 85 3.681 13.528 -0.965 1.00 63.21 H new ATOM 0 HG23 VAL A 85 5.009 13.997 -2.053 1.00 63.21 H new ATOM 1230 N SER A 86 6.946 12.843 2.498 1.00 52.21 N ATOM 1231 CA SER A 86 8.011 12.485 3.414 1.00 5.50 C ATOM 1232 C SER A 86 8.903 11.376 2.842 1.00 42.43 C ATOM 1233 O SER A 86 8.410 10.454 2.168 1.00 0.43 O ATOM 1234 CB SER A 86 7.399 12.039 4.765 1.00 12.35 C ATOM 1235 OG SER A 86 8.394 11.779 5.751 1.00 0.42 O ATOM 0 H SER A 86 6.015 12.575 2.816 1.00 52.21 H new ATOM 0 HA SER A 86 8.640 13.362 3.566 1.00 5.50 H new ATOM 0 HB2 SER A 86 6.724 12.814 5.129 1.00 12.35 H new ATOM 0 HB3 SER A 86 6.800 11.141 4.611 1.00 12.35 H new ATOM 0 HG SER A 86 8.218 10.912 6.173 1.00 0.42 H new ATOM 1241 N ARG A 87 10.202 11.483 3.135 1.00 21.01 N ATOM 1242 CA ARG A 87 11.224 10.469 2.807 1.00 20.15 C ATOM 1243 C ARG A 87 10.835 9.111 3.394 1.00 34.34 C ATOM 1244 O ARG A 87 11.209 8.045 2.884 1.00 43.41 O ATOM 1245 CB ARG A 87 12.613 10.936 3.308 1.00 32.44 C ATOM 1246 CG ARG A 87 12.584 11.563 4.703 1.00 24.13 C ATOM 1247 CD ARG A 87 13.949 12.060 5.158 1.00 51.44 C ATOM 1248 NE ARG A 87 13.825 13.021 6.285 1.00 23.32 N ATOM 1249 CZ ARG A 87 14.688 13.170 7.303 1.00 21.03 C ATOM 1250 NH1 ARG A 87 15.833 12.489 7.333 1.00 21.41 N ATOM 1251 NH2 ARG A 87 14.430 14.053 8.252 1.00 71.43 N ATOM 0 H ARG A 87 10.588 12.294 3.618 1.00 21.01 H new ATOM 0 HA ARG A 87 11.282 10.352 1.725 1.00 20.15 H new ATOM 0 HB2 ARG A 87 13.292 10.083 3.316 1.00 32.44 H new ATOM 0 HB3 ARG A 87 13.020 11.660 2.602 1.00 32.44 H new ATOM 0 HG2 ARG A 87 11.880 12.395 4.707 1.00 24.13 H new ATOM 0 HG3 ARG A 87 12.213 10.829 5.418 1.00 24.13 H new ATOM 0 HD2 ARG A 87 14.563 11.213 5.465 1.00 51.44 H new ATOM 0 HD3 ARG A 87 14.461 12.539 4.323 1.00 51.44 H new ATOM 0 HE ARG A 87 13.004 13.627 6.285 1.00 23.32 H new ATOM 0 HH11 ARG A 87 16.063 11.845 6.576 1.00 21.41 H new ATOM 0 HH12 ARG A 87 16.479 12.612 8.112 1.00 21.41 H new ATOM 0 HH21 ARG A 87 13.580 14.615 8.208 1.00 71.43 H new ATOM 0 HH22 ARG A 87 15.081 14.172 9.028 1.00 71.43 H new ATOM 1265 N ARG A 88 10.108 9.170 4.469 1.00 74.41 N ATOM 1266 CA ARG A 88 9.455 8.044 5.049 1.00 65.41 C ATOM 1267 C ARG A 88 8.244 8.510 5.804 1.00 34.53 C ATOM 1268 O ARG A 88 8.353 9.142 6.848 1.00 73.54 O ATOM 1269 CB ARG A 88 10.364 7.157 5.918 1.00 14.24 C ATOM 1270 CG ARG A 88 11.323 7.887 6.845 1.00 64.02 C ATOM 1271 CD ARG A 88 11.860 6.957 7.928 1.00 51.11 C ATOM 1272 NE ARG A 88 12.066 5.561 7.461 1.00 14.10 N ATOM 1273 CZ ARG A 88 13.132 4.802 7.720 1.00 1.10 C ATOM 1274 NH1 ARG A 88 14.215 5.329 8.295 1.00 13.12 N ATOM 1275 NH2 ARG A 88 13.105 3.512 7.393 1.00 72.10 N ATOM 0 H ARG A 88 9.950 10.037 4.982 1.00 74.41 H new ATOM 0 HA ARG A 88 9.154 7.393 4.228 1.00 65.41 H new ATOM 0 HB2 ARG A 88 9.732 6.506 6.522 1.00 14.24 H new ATOM 0 HB3 ARG A 88 10.947 6.514 5.259 1.00 14.24 H new ATOM 0 HG2 ARG A 88 12.153 8.293 6.267 1.00 64.02 H new ATOM 0 HG3 ARG A 88 10.813 8.732 7.308 1.00 64.02 H new ATOM 0 HD2 ARG A 88 12.806 7.351 8.298 1.00 51.11 H new ATOM 0 HD3 ARG A 88 11.166 6.952 8.769 1.00 51.11 H new ATOM 0 HE ARG A 88 11.327 5.147 6.892 1.00 14.10 H new ATOM 0 HH11 ARG A 88 14.232 6.319 8.540 1.00 13.12 H new ATOM 0 HH12 ARG A 88 15.026 4.742 8.490 1.00 13.12 H new ATOM 0 HH21 ARG A 88 12.276 3.115 6.950 1.00 72.10 H new ATOM 0 HH22 ARG A 88 13.913 2.920 7.585 1.00 72.10 H new ATOM 1289 N HIS A 89 7.097 8.289 5.233 1.00 23.44 N ATOM 1290 CA HIS A 89 5.866 8.665 5.885 1.00 3.43 C ATOM 1291 C HIS A 89 5.470 7.507 6.775 1.00 53.54 C ATOM 1292 O HIS A 89 5.281 7.654 7.987 1.00 52.42 O ATOM 1293 CB HIS A 89 4.776 8.952 4.827 1.00 55.20 C ATOM 1294 CG HIS A 89 3.503 9.575 5.356 1.00 1.54 C ATOM 1295 ND1 HIS A 89 3.162 10.871 5.045 1.00 10.51 N ATOM 1296 CD2 HIS A 89 2.517 9.032 6.108 1.00 64.13 C ATOM 1297 CE1 HIS A 89 1.980 11.074 5.607 1.00 22.25 C ATOM 1298 NE2 HIS A 89 1.560 9.999 6.256 1.00 10.15 N ATOM 0 H HIS A 89 6.982 7.851 4.319 1.00 23.44 H new ATOM 0 HA HIS A 89 5.989 9.572 6.477 1.00 3.43 H new ATOM 0 HB2 HIS A 89 5.196 9.613 4.069 1.00 55.20 H new ATOM 0 HB3 HIS A 89 4.522 8.016 4.329 1.00 55.20 H new ATOM 0 HD2 HIS A 89 2.491 8.031 6.512 1.00 64.13 H new ATOM 0 HE1 HIS A 89 1.428 12.000 5.544 1.00 22.25 H new ATOM 0 HE2 HIS A 89 0.684 9.908 6.771 1.00 10.15 H new ATOM 1306 N ALA A 90 5.441 6.343 6.174 1.00 22.43 N ATOM 1307 CA ALA A 90 5.106 5.132 6.871 1.00 63.11 C ATOM 1308 C ALA A 90 5.757 3.998 6.148 1.00 51.04 C ATOM 1309 O ALA A 90 6.145 4.155 4.985 1.00 23.31 O ATOM 1310 CB ALA A 90 3.595 4.936 6.909 1.00 44.20 C ATOM 0 H ALA A 90 5.650 6.211 5.184 1.00 22.43 H new ATOM 0 HA ALA A 90 5.458 5.181 7.901 1.00 63.11 H new ATOM 0 HB1 ALA A 90 3.361 4.014 7.441 1.00 44.20 H new ATOM 0 HB2 ALA A 90 3.132 5.779 7.422 1.00 44.20 H new ATOM 0 HB3 ALA A 90 3.210 4.875 5.891 1.00 44.20 H new ATOM 1316 N GLU A 91 5.938 2.897 6.801 1.00 5.30 N ATOM 1317 CA GLU A 91 6.482 1.751 6.146 1.00 13.13 C ATOM 1318 C GLU A 91 5.840 0.467 6.616 1.00 71.41 C ATOM 1319 O GLU A 91 5.320 0.380 7.735 1.00 22.33 O ATOM 1320 CB GLU A 91 8.027 1.723 6.166 1.00 42.22 C ATOM 1321 CG GLU A 91 8.691 1.864 7.510 1.00 11.03 C ATOM 1322 CD GLU A 91 10.202 1.963 7.369 1.00 62.54 C ATOM 1323 OE1 GLU A 91 10.694 2.753 6.498 1.00 21.11 O ATOM 1324 OE2 GLU A 91 10.929 1.296 8.128 1.00 2.23 O ATOM 0 H GLU A 91 5.717 2.766 7.788 1.00 5.30 H new ATOM 0 HA GLU A 91 6.221 1.839 5.091 1.00 13.13 H new ATOM 0 HB2 GLU A 91 8.356 0.783 5.722 1.00 42.22 H new ATOM 0 HB3 GLU A 91 8.390 2.524 5.522 1.00 42.22 H new ATOM 0 HG2 GLU A 91 8.311 2.752 8.015 1.00 11.03 H new ATOM 0 HG3 GLU A 91 8.437 1.009 8.136 1.00 11.03 H new ATOM 1331 N PHE A 92 5.878 -0.505 5.759 1.00 32.35 N ATOM 1332 CA PHE A 92 5.251 -1.781 5.959 1.00 34.31 C ATOM 1333 C PHE A 92 6.329 -2.754 6.296 1.00 32.43 C ATOM 1334 O PHE A 92 7.326 -2.841 5.585 1.00 1.01 O ATOM 1335 CB PHE A 92 4.610 -2.282 4.640 1.00 13.24 C ATOM 1336 CG PHE A 92 3.504 -1.447 4.035 1.00 41.31 C ATOM 1337 CD1 PHE A 92 3.738 -0.155 3.577 1.00 42.44 C ATOM 1338 CD2 PHE A 92 2.237 -1.983 3.883 1.00 32.54 C ATOM 1339 CE1 PHE A 92 2.731 0.579 2.991 1.00 13.10 C ATOM 1340 CE2 PHE A 92 1.224 -1.250 3.301 1.00 43.32 C ATOM 1341 CZ PHE A 92 1.473 0.034 2.853 1.00 44.35 C ATOM 0 H PHE A 92 6.365 -0.432 4.865 1.00 32.35 H new ATOM 0 HA PHE A 92 4.492 -1.692 6.736 1.00 34.31 H new ATOM 0 HB2 PHE A 92 5.402 -2.378 3.897 1.00 13.24 H new ATOM 0 HB3 PHE A 92 4.216 -3.283 4.817 1.00 13.24 H new ATOM 0 HD1 PHE A 92 4.722 0.278 3.682 1.00 42.44 H new ATOM 0 HD2 PHE A 92 2.039 -2.988 4.225 1.00 32.54 H new ATOM 0 HE1 PHE A 92 2.927 1.581 2.640 1.00 13.10 H new ATOM 0 HE2 PHE A 92 0.238 -1.678 3.195 1.00 43.32 H new ATOM 0 HZ PHE A 92 0.682 0.609 2.395 1.00 44.35 H new ATOM 1351 N ARG A 93 6.166 -3.454 7.357 1.00 74.43 N ATOM 1352 CA ARG A 93 7.112 -4.451 7.729 1.00 24.12 C ATOM 1353 C ARG A 93 6.421 -5.768 7.807 1.00 52.24 C ATOM 1354 O ARG A 93 5.389 -5.904 8.467 1.00 24.14 O ATOM 1355 CB ARG A 93 7.821 -4.117 9.035 1.00 44.33 C ATOM 1356 CG ARG A 93 8.556 -2.797 8.986 1.00 24.40 C ATOM 1357 CD ARG A 93 9.431 -2.587 10.193 1.00 30.54 C ATOM 1358 NE ARG A 93 8.704 -2.662 11.455 1.00 25.24 N ATOM 1359 CZ ARG A 93 9.023 -1.974 12.546 1.00 12.14 C ATOM 1360 NH1 ARG A 93 10.046 -1.105 12.525 1.00 62.01 N ATOM 1361 NH2 ARG A 93 8.321 -2.151 13.646 1.00 32.42 N ATOM 0 H ARG A 93 5.376 -3.356 7.995 1.00 74.43 H new ATOM 0 HA ARG A 93 7.891 -4.492 6.967 1.00 24.12 H new ATOM 0 HB2 ARG A 93 7.090 -4.090 9.843 1.00 44.33 H new ATOM 0 HB3 ARG A 93 8.528 -4.912 9.272 1.00 44.33 H new ATOM 0 HG2 ARG A 93 9.168 -2.757 8.085 1.00 24.40 H new ATOM 0 HG3 ARG A 93 7.834 -1.983 8.917 1.00 24.40 H new ATOM 0 HD2 ARG A 93 10.223 -3.336 10.193 1.00 30.54 H new ATOM 0 HD3 ARG A 93 9.914 -1.613 10.118 1.00 30.54 H new ATOM 0 HE ARG A 93 7.897 -3.284 11.503 1.00 25.24 H new ATOM 0 HH11 ARG A 93 10.583 -0.970 11.668 1.00 62.01 H new ATOM 0 HH12 ARG A 93 10.286 -0.580 13.366 1.00 62.01 H new ATOM 0 HH21 ARG A 93 7.543 -2.810 13.654 1.00 32.42 H new ATOM 0 HH22 ARG A 93 8.556 -1.629 14.490 1.00 32.42 H new ATOM 1375 N ILE A 94 6.938 -6.707 7.089 1.00 31.10 N ATOM 1376 CA ILE A 94 6.385 -8.015 7.049 1.00 1.22 C ATOM 1377 C ILE A 94 7.405 -8.934 7.688 1.00 31.32 C ATOM 1378 O ILE A 94 8.494 -9.141 7.143 1.00 13.12 O ATOM 1379 CB ILE A 94 6.100 -8.503 5.574 1.00 4.24 C ATOM 1380 CG1 ILE A 94 5.181 -7.532 4.780 1.00 12.54 C ATOM 1381 CG2 ILE A 94 5.490 -9.895 5.579 1.00 12.22 C ATOM 1382 CD1 ILE A 94 5.849 -6.259 4.272 1.00 72.24 C ATOM 0 H ILE A 94 7.767 -6.585 6.507 1.00 31.10 H new ATOM 0 HA ILE A 94 5.429 -8.020 7.573 1.00 1.22 H new ATOM 0 HB ILE A 94 7.065 -8.524 5.067 1.00 4.24 H new ATOM 0 HG12 ILE A 94 4.767 -8.069 3.927 1.00 12.54 H new ATOM 0 HG13 ILE A 94 4.343 -7.251 5.417 1.00 12.54 H new ATOM 0 HG21 ILE A 94 5.301 -10.213 4.554 1.00 12.22 H new ATOM 0 HG22 ILE A 94 6.180 -10.593 6.054 1.00 12.22 H new ATOM 0 HG23 ILE A 94 4.551 -9.879 6.133 1.00 12.22 H new ATOM 0 HD11 ILE A 94 5.119 -5.655 3.733 1.00 72.24 H new ATOM 0 HD12 ILE A 94 6.238 -5.690 5.117 1.00 72.24 H new ATOM 0 HD13 ILE A 94 6.669 -6.520 3.603 1.00 72.24 H new ATOM 1394 N ASN A 95 7.072 -9.451 8.830 1.00 51.14 N ATOM 1395 CA ASN A 95 7.973 -10.299 9.571 1.00 34.11 C ATOM 1396 C ASN A 95 7.221 -11.458 10.190 1.00 42.24 C ATOM 1397 O ASN A 95 6.190 -11.258 10.822 1.00 55.24 O ATOM 1398 CB ASN A 95 8.733 -9.481 10.635 1.00 72.42 C ATOM 1399 CG ASN A 95 9.647 -10.327 11.496 1.00 22.21 C ATOM 1400 OD1 ASN A 95 9.248 -10.792 12.554 1.00 15.30 O ATOM 1401 ND2 ASN A 95 10.865 -10.542 11.047 1.00 2.02 N ATOM 0 H ASN A 95 6.169 -9.301 9.281 1.00 51.14 H new ATOM 0 HA ASN A 95 8.711 -10.713 8.884 1.00 34.11 H new ATOM 0 HB2 ASN A 95 9.323 -8.710 10.139 1.00 72.42 H new ATOM 0 HB3 ASN A 95 8.013 -8.970 11.274 1.00 72.42 H new ATOM 0 HD21 ASN A 95 11.514 -11.115 11.587 1.00 2.02 H new ATOM 0 HD22 ASN A 95 11.160 -10.136 10.159 1.00 2.02 H new ATOM 1408 N GLU A 96 7.729 -12.663 9.970 1.00 12.33 N ATOM 1409 CA GLU A 96 7.154 -13.921 10.476 1.00 13.35 C ATOM 1410 C GLU A 96 5.693 -14.093 10.050 1.00 10.14 C ATOM 1411 O GLU A 96 4.870 -14.672 10.784 1.00 21.21 O ATOM 1412 CB GLU A 96 7.260 -13.996 12.001 1.00 63.11 C ATOM 1413 CG GLU A 96 8.669 -13.953 12.543 1.00 12.44 C ATOM 1414 CD GLU A 96 8.701 -14.241 14.015 1.00 52.31 C ATOM 1415 OE1 GLU A 96 8.502 -13.312 14.829 1.00 24.12 O ATOM 1416 OE2 GLU A 96 8.894 -15.412 14.394 1.00 1.24 O ATOM 0 H GLU A 96 8.576 -12.806 9.420 1.00 12.33 H new ATOM 0 HA GLU A 96 7.733 -14.733 10.037 1.00 13.35 H new ATOM 0 HB2 GLU A 96 6.695 -13.169 12.431 1.00 63.11 H new ATOM 0 HB3 GLU A 96 6.784 -14.917 12.339 1.00 63.11 H new ATOM 0 HG2 GLU A 96 9.285 -14.681 12.015 1.00 12.44 H new ATOM 0 HG3 GLU A 96 9.103 -12.971 12.354 1.00 12.44 H new ATOM 1423 N GLY A 97 5.393 -13.653 8.845 1.00 1.12 N ATOM 1424 CA GLY A 97 4.053 -13.781 8.311 1.00 75.11 C ATOM 1425 C GLY A 97 3.112 -12.691 8.790 1.00 33.15 C ATOM 1426 O GLY A 97 1.951 -12.656 8.389 1.00 41.12 O ATOM 0 H GLY A 97 6.059 -13.204 8.217 1.00 1.12 H new ATOM 0 HA2 GLY A 97 4.099 -13.760 7.222 1.00 75.11 H new ATOM 0 HA3 GLY A 97 3.647 -14.752 8.594 1.00 75.11 H new ATOM 1430 N GLU A 98 3.608 -11.796 9.621 1.00 61.13 N ATOM 1431 CA GLU A 98 2.814 -10.726 10.160 1.00 71.13 C ATOM 1432 C GLU A 98 3.116 -9.456 9.405 1.00 1.13 C ATOM 1433 O GLU A 98 4.276 -9.157 9.108 1.00 61.24 O ATOM 1434 CB GLU A 98 3.177 -10.541 11.618 1.00 61.14 C ATOM 1435 CG GLU A 98 2.984 -11.791 12.444 1.00 23.12 C ATOM 1436 CD GLU A 98 1.534 -12.165 12.593 1.00 74.34 C ATOM 1437 OE1 GLU A 98 0.846 -11.586 13.451 1.00 62.13 O ATOM 1438 OE2 GLU A 98 1.049 -13.035 11.848 1.00 41.01 O ATOM 0 H GLU A 98 4.577 -11.796 9.938 1.00 61.13 H new ATOM 0 HA GLU A 98 1.754 -10.961 10.067 1.00 71.13 H new ATOM 0 HB2 GLU A 98 4.217 -10.224 11.689 1.00 61.14 H new ATOM 0 HB3 GLU A 98 2.570 -9.739 12.038 1.00 61.14 H new ATOM 0 HG2 GLU A 98 3.523 -12.617 11.979 1.00 23.12 H new ATOM 0 HG3 GLU A 98 3.421 -11.641 13.431 1.00 23.12 H new ATOM 1445 N PHE A 99 2.080 -8.732 9.089 1.00 15.02 N ATOM 1446 CA PHE A 99 2.184 -7.526 8.308 1.00 3.33 C ATOM 1447 C PHE A 99 1.842 -6.348 9.205 1.00 53.22 C ATOM 1448 O PHE A 99 0.735 -6.281 9.724 1.00 13.22 O ATOM 1449 CB PHE A 99 1.157 -7.567 7.158 1.00 72.13 C ATOM 1450 CG PHE A 99 1.137 -8.845 6.342 1.00 11.14 C ATOM 1451 CD1 PHE A 99 1.965 -9.007 5.252 1.00 51.33 C ATOM 1452 CD2 PHE A 99 0.266 -9.876 6.672 1.00 54.11 C ATOM 1453 CE1 PHE A 99 1.936 -10.170 4.505 1.00 15.11 C ATOM 1454 CE2 PHE A 99 0.230 -11.039 5.930 1.00 21.02 C ATOM 1455 CZ PHE A 99 1.067 -11.186 4.845 1.00 42.24 C ATOM 0 H PHE A 99 1.127 -8.963 9.369 1.00 15.02 H new ATOM 0 HA PHE A 99 3.192 -7.433 7.903 1.00 3.33 H new ATOM 0 HB2 PHE A 99 0.163 -7.409 7.577 1.00 72.13 H new ATOM 0 HB3 PHE A 99 1.357 -6.732 6.487 1.00 72.13 H new ATOM 0 HD1 PHE A 99 2.646 -8.215 4.978 1.00 51.33 H new ATOM 0 HD2 PHE A 99 -0.392 -9.766 7.521 1.00 54.11 H new ATOM 0 HE1 PHE A 99 2.593 -10.283 3.656 1.00 15.11 H new ATOM 0 HE2 PHE A 99 -0.452 -11.832 6.199 1.00 21.02 H new ATOM 0 HZ PHE A 99 1.043 -12.095 4.262 1.00 42.24 H new ATOM 1465 N GLU A 100 2.756 -5.451 9.416 1.00 54.11 N ATOM 1466 CA GLU A 100 2.456 -4.280 10.215 1.00 73.44 C ATOM 1467 C GLU A 100 2.833 -3.026 9.455 1.00 53.32 C ATOM 1468 O GLU A 100 3.767 -3.038 8.648 1.00 40.04 O ATOM 1469 CB GLU A 100 3.193 -4.297 11.576 1.00 73.03 C ATOM 1470 CG GLU A 100 4.713 -4.154 11.471 1.00 52.12 C ATOM 1471 CD GLU A 100 5.398 -3.976 12.804 1.00 34.22 C ATOM 1472 OE1 GLU A 100 4.758 -3.543 13.777 1.00 0.11 O ATOM 1473 OE2 GLU A 100 6.624 -4.216 12.892 1.00 52.03 O ATOM 0 H GLU A 100 3.709 -5.496 9.055 1.00 54.11 H new ATOM 0 HA GLU A 100 1.385 -4.291 10.415 1.00 73.44 H new ATOM 0 HB2 GLU A 100 2.806 -3.488 12.196 1.00 73.03 H new ATOM 0 HB3 GLU A 100 2.962 -5.230 12.089 1.00 73.03 H new ATOM 0 HG2 GLU A 100 5.119 -5.038 10.979 1.00 52.12 H new ATOM 0 HG3 GLU A 100 4.946 -3.300 10.836 1.00 52.12 H new ATOM 1480 N VAL A 101 2.096 -1.978 9.659 1.00 41.02 N ATOM 1481 CA VAL A 101 2.467 -0.696 9.116 1.00 61.51 C ATOM 1482 C VAL A 101 2.819 0.199 10.259 1.00 72.41 C ATOM 1483 O VAL A 101 2.023 0.385 11.192 1.00 62.32 O ATOM 1484 CB VAL A 101 1.351 -0.054 8.246 1.00 11.33 C ATOM 1485 CG1 VAL A 101 1.718 1.373 7.827 1.00 62.33 C ATOM 1486 CG2 VAL A 101 1.138 -0.888 7.015 1.00 23.43 C ATOM 0 H VAL A 101 1.230 -1.979 10.198 1.00 41.02 H new ATOM 0 HA VAL A 101 3.317 -0.837 8.448 1.00 61.51 H new ATOM 0 HB VAL A 101 0.439 -0.013 8.842 1.00 11.33 H new ATOM 0 HG11 VAL A 101 0.915 1.792 7.220 1.00 62.33 H new ATOM 0 HG12 VAL A 101 1.859 1.988 8.716 1.00 62.33 H new ATOM 0 HG13 VAL A 101 2.641 1.356 7.247 1.00 62.33 H new ATOM 0 HG21 VAL A 101 0.355 -0.440 6.403 1.00 23.43 H new ATOM 0 HG22 VAL A 101 2.064 -0.935 6.443 1.00 23.43 H new ATOM 0 HG23 VAL A 101 0.839 -1.895 7.305 1.00 23.43 H new ATOM 1496 N VAL A 102 4.001 0.721 10.211 1.00 61.33 N ATOM 1497 CA VAL A 102 4.493 1.563 11.244 1.00 60.11 C ATOM 1498 C VAL A 102 4.801 2.938 10.710 1.00 71.21 C ATOM 1499 O VAL A 102 5.356 3.088 9.602 1.00 34.33 O ATOM 1500 CB VAL A 102 5.754 0.960 11.950 1.00 12.33 C ATOM 1501 CG1 VAL A 102 5.393 -0.309 12.697 1.00 63.42 C ATOM 1502 CG2 VAL A 102 6.878 0.673 10.951 1.00 51.12 C ATOM 0 H VAL A 102 4.657 0.571 9.444 1.00 61.33 H new ATOM 0 HA VAL A 102 3.705 1.641 11.993 1.00 60.11 H new ATOM 0 HB VAL A 102 6.114 1.704 12.661 1.00 12.33 H new ATOM 0 HG11 VAL A 102 6.283 -0.712 13.180 1.00 63.42 H new ATOM 0 HG12 VAL A 102 4.640 -0.085 13.452 1.00 63.42 H new ATOM 0 HG13 VAL A 102 4.997 -1.044 11.996 1.00 63.42 H new ATOM 0 HG21 VAL A 102 7.736 0.256 11.478 1.00 51.12 H new ATOM 0 HG22 VAL A 102 6.528 -0.041 10.205 1.00 51.12 H new ATOM 0 HG23 VAL A 102 7.171 1.599 10.457 1.00 51.12 H new ATOM 1512 N ASP A 103 4.381 3.929 11.436 1.00 40.41 N ATOM 1513 CA ASP A 103 4.726 5.289 11.131 1.00 62.43 C ATOM 1514 C ASP A 103 6.123 5.475 11.612 1.00 2.12 C ATOM 1515 O ASP A 103 6.466 5.065 12.733 1.00 3.50 O ATOM 1516 CB ASP A 103 3.815 6.270 11.856 1.00 44.32 C ATOM 1517 CG ASP A 103 3.973 7.696 11.391 1.00 41.13 C ATOM 1518 OD1 ASP A 103 5.042 8.320 11.604 1.00 2.14 O ATOM 1519 OD2 ASP A 103 3.004 8.239 10.851 1.00 74.42 O ATOM 0 H ASP A 103 3.788 3.820 12.259 1.00 40.41 H new ATOM 0 HA ASP A 103 4.621 5.477 10.062 1.00 62.43 H new ATOM 0 HB2 ASP A 103 2.779 5.963 11.715 1.00 44.32 H new ATOM 0 HB3 ASP A 103 4.019 6.220 12.926 1.00 44.32 H new ATOM 1524 N VAL A 104 6.927 6.042 10.799 1.00 50.54 N ATOM 1525 CA VAL A 104 8.319 6.171 11.105 1.00 42.43 C ATOM 1526 C VAL A 104 8.760 7.612 11.173 1.00 54.51 C ATOM 1527 O VAL A 104 9.958 7.911 11.117 1.00 13.32 O ATOM 1528 CB VAL A 104 9.184 5.361 10.117 1.00 52.20 C ATOM 1529 CG1 VAL A 104 9.094 3.883 10.453 1.00 3.12 C ATOM 1530 CG2 VAL A 104 8.703 5.587 8.690 1.00 41.05 C ATOM 0 H VAL A 104 6.651 6.434 9.899 1.00 50.54 H new ATOM 0 HA VAL A 104 8.466 5.752 12.101 1.00 42.43 H new ATOM 0 HB VAL A 104 10.219 5.693 10.200 1.00 52.20 H new ATOM 0 HG11 VAL A 104 9.706 3.313 9.754 1.00 3.12 H new ATOM 0 HG12 VAL A 104 9.454 3.718 11.468 1.00 3.12 H new ATOM 0 HG13 VAL A 104 8.057 3.555 10.378 1.00 3.12 H new ATOM 0 HG21 VAL A 104 9.321 5.010 8.002 1.00 41.05 H new ATOM 0 HG22 VAL A 104 7.665 5.267 8.601 1.00 41.05 H new ATOM 0 HG23 VAL A 104 8.778 6.646 8.444 1.00 41.05 H new ATOM 1540 N GLY A 105 7.815 8.501 11.335 1.00 32.15 N ATOM 1541 CA GLY A 105 8.166 9.876 11.488 1.00 54.02 C ATOM 1542 C GLY A 105 7.457 10.779 10.529 1.00 1.00 C ATOM 1543 O GLY A 105 8.072 11.694 9.972 1.00 31.04 O ATOM 0 H GLY A 105 6.816 8.297 11.363 1.00 32.15 H new ATOM 0 HA2 GLY A 105 7.940 10.190 12.507 1.00 54.02 H new ATOM 0 HA3 GLY A 105 9.242 9.986 11.352 1.00 54.02 H new ATOM 1547 N SER A 106 6.176 10.554 10.315 1.00 32.44 N ATOM 1548 CA SER A 106 5.457 11.425 9.441 1.00 12.11 C ATOM 1549 C SER A 106 4.934 12.594 10.255 1.00 1.43 C ATOM 1550 O SER A 106 4.582 12.443 11.442 1.00 74.05 O ATOM 1551 CB SER A 106 4.290 10.711 8.752 1.00 24.12 C ATOM 1552 OG SER A 106 3.222 10.474 9.645 1.00 61.50 O ATOM 0 H SER A 106 5.634 9.794 10.727 1.00 32.44 H new ATOM 0 HA SER A 106 6.133 11.768 8.658 1.00 12.11 H new ATOM 0 HB2 SER A 106 3.938 11.314 7.915 1.00 24.12 H new ATOM 0 HB3 SER A 106 4.636 9.764 8.339 1.00 24.12 H new ATOM 0 HG SER A 106 3.144 9.512 9.814 1.00 61.50 H new ATOM 1558 N LEU A 107 4.927 13.746 9.664 1.00 42.35 N ATOM 1559 CA LEU A 107 4.377 14.914 10.308 1.00 43.50 C ATOM 1560 C LEU A 107 2.979 15.152 9.806 1.00 30.21 C ATOM 1561 O LEU A 107 2.177 15.826 10.447 1.00 21.43 O ATOM 1562 CB LEU A 107 5.243 16.171 10.079 1.00 24.13 C ATOM 1563 CG LEU A 107 6.640 16.200 10.716 1.00 5.10 C ATOM 1564 CD1 LEU A 107 6.572 15.856 12.185 1.00 52.33 C ATOM 1565 CD2 LEU A 107 7.627 15.307 9.989 1.00 22.51 C ATOM 0 H LEU A 107 5.297 13.912 8.728 1.00 42.35 H new ATOM 0 HA LEU A 107 4.362 14.726 11.381 1.00 43.50 H new ATOM 0 HB2 LEU A 107 5.362 16.305 9.004 1.00 24.13 H new ATOM 0 HB3 LEU A 107 4.688 17.033 10.449 1.00 24.13 H new ATOM 0 HG LEU A 107 7.011 17.220 10.620 1.00 5.10 H new ATOM 0 HD11 LEU A 107 7.575 15.884 12.612 1.00 52.33 H new ATOM 0 HD12 LEU A 107 5.939 16.579 12.699 1.00 52.33 H new ATOM 0 HD13 LEU A 107 6.154 14.857 12.306 1.00 52.33 H new ATOM 0 HD21 LEU A 107 8.599 15.364 10.479 1.00 22.51 H new ATOM 0 HD22 LEU A 107 7.270 14.277 10.010 1.00 22.51 H new ATOM 0 HD23 LEU A 107 7.723 15.637 8.955 1.00 22.51 H new ATOM 1577 N ASN A 108 2.688 14.575 8.664 1.00 50.03 N ATOM 1578 CA ASN A 108 1.433 14.827 7.994 1.00 33.42 C ATOM 1579 C ASN A 108 0.348 13.882 8.485 1.00 31.14 C ATOM 1580 O ASN A 108 -0.837 14.177 8.342 1.00 20.40 O ATOM 1581 CB ASN A 108 1.588 14.734 6.458 1.00 2.23 C ATOM 1582 CG ASN A 108 2.640 15.689 5.870 1.00 14.41 C ATOM 1583 OD1 ASN A 108 3.658 15.994 6.490 1.00 3.30 O ATOM 1584 ND2 ASN A 108 2.406 16.161 4.676 1.00 21.41 N ATOM 0 H ASN A 108 3.306 13.925 8.177 1.00 50.03 H new ATOM 0 HA ASN A 108 1.130 15.845 8.239 1.00 33.42 H new ATOM 0 HB2 ASN A 108 1.854 13.711 6.193 1.00 2.23 H new ATOM 0 HB3 ASN A 108 0.624 14.943 5.994 1.00 2.23 H new ATOM 0 HD21 ASN A 108 3.074 16.796 4.239 1.00 21.41 H new ATOM 0 HD22 ASN A 108 1.555 15.895 4.180 1.00 21.41 H new ATOM 1591 N GLY A 109 0.748 12.769 9.090 1.00 64.22 N ATOM 1592 CA GLY A 109 -0.219 11.880 9.698 1.00 41.44 C ATOM 1593 C GLY A 109 -0.575 10.677 8.849 1.00 32.15 C ATOM 1594 O GLY A 109 -0.991 10.809 7.695 1.00 74.13 O ATOM 0 H GLY A 109 1.720 12.469 9.169 1.00 64.22 H new ATOM 0 HA2 GLY A 109 0.174 11.533 10.654 1.00 41.44 H new ATOM 0 HA3 GLY A 109 -1.128 12.442 9.912 1.00 41.44 H new ATOM 1598 N THR A 110 -0.325 9.518 9.380 1.00 32.04 N ATOM 1599 CA THR A 110 -0.723 8.276 8.770 1.00 51.44 C ATOM 1600 C THR A 110 -2.152 7.913 9.230 1.00 41.10 C ATOM 1601 O THR A 110 -2.469 7.993 10.434 1.00 60.15 O ATOM 1602 CB THR A 110 0.276 7.155 9.146 1.00 70.51 C ATOM 1603 OG1 THR A 110 1.588 7.548 8.728 1.00 24.15 O ATOM 1604 CG2 THR A 110 -0.086 5.831 8.477 1.00 51.41 C ATOM 0 H THR A 110 0.170 9.402 10.265 1.00 32.04 H new ATOM 0 HA THR A 110 -0.719 8.385 7.685 1.00 51.44 H new ATOM 0 HB THR A 110 0.239 7.009 10.226 1.00 70.51 H new ATOM 0 HG1 THR A 110 2.142 7.730 9.516 1.00 24.15 H new ATOM 0 HG21 THR A 110 0.638 5.068 8.765 1.00 51.41 H new ATOM 0 HG22 THR A 110 -1.083 5.524 8.794 1.00 51.41 H new ATOM 0 HG23 THR A 110 -0.072 5.955 7.394 1.00 51.41 H new ATOM 1612 N TYR A 111 -3.019 7.555 8.303 1.00 55.11 N ATOM 1613 CA TYR A 111 -4.350 7.161 8.654 1.00 20.34 C ATOM 1614 C TYR A 111 -4.604 5.749 8.204 1.00 0.43 C ATOM 1615 O TYR A 111 -4.420 5.414 7.045 1.00 34.41 O ATOM 1616 CB TYR A 111 -5.404 8.110 8.052 1.00 21.12 C ATOM 1617 CG TYR A 111 -5.482 9.474 8.710 1.00 64.33 C ATOM 1618 CD1 TYR A 111 -4.618 10.508 8.361 1.00 3.10 C ATOM 1619 CD2 TYR A 111 -6.431 9.720 9.689 1.00 20.02 C ATOM 1620 CE1 TYR A 111 -4.707 11.744 8.978 1.00 13.20 C ATOM 1621 CE2 TYR A 111 -6.527 10.946 10.305 1.00 4.02 C ATOM 1622 CZ TYR A 111 -5.667 11.954 9.952 1.00 33.40 C ATOM 1623 OH TYR A 111 -5.764 13.177 10.576 1.00 52.41 O ATOM 0 H TYR A 111 -2.816 7.532 7.304 1.00 55.11 H new ATOM 0 HA TYR A 111 -4.439 7.217 9.739 1.00 20.34 H new ATOM 0 HB2 TYR A 111 -5.187 8.245 6.992 1.00 21.12 H new ATOM 0 HB3 TYR A 111 -6.382 7.633 8.119 1.00 21.12 H new ATOM 0 HD1 TYR A 111 -3.869 10.344 7.600 1.00 3.10 H new ATOM 0 HD2 TYR A 111 -7.111 8.931 9.975 1.00 20.02 H new ATOM 0 HE1 TYR A 111 -4.031 12.540 8.701 1.00 13.20 H new ATOM 0 HE2 TYR A 111 -7.277 11.114 11.064 1.00 4.02 H new ATOM 0 HH TYR A 111 -6.491 13.153 11.232 1.00 52.41 H new ATOM 1633 N VAL A 112 -5.028 4.930 9.106 1.00 3.51 N ATOM 1634 CA VAL A 112 -5.354 3.566 8.792 1.00 64.31 C ATOM 1635 C VAL A 112 -6.846 3.427 8.938 1.00 71.52 C ATOM 1636 O VAL A 112 -7.383 3.650 10.006 1.00 11.41 O ATOM 1637 CB VAL A 112 -4.607 2.556 9.704 1.00 75.54 C ATOM 1638 CG1 VAL A 112 -5.030 1.132 9.386 1.00 50.22 C ATOM 1639 CG2 VAL A 112 -3.099 2.694 9.521 1.00 4.24 C ATOM 0 H VAL A 112 -5.161 5.181 10.086 1.00 3.51 H new ATOM 0 HA VAL A 112 -5.036 3.334 7.776 1.00 64.31 H new ATOM 0 HB VAL A 112 -4.866 2.778 10.739 1.00 75.54 H new ATOM 0 HG11 VAL A 112 -4.495 0.440 10.036 1.00 50.22 H new ATOM 0 HG12 VAL A 112 -6.103 1.026 9.548 1.00 50.22 H new ATOM 0 HG13 VAL A 112 -4.796 0.907 8.345 1.00 50.22 H new ATOM 0 HG21 VAL A 112 -2.587 1.980 10.166 1.00 4.24 H new ATOM 0 HG22 VAL A 112 -2.839 2.495 8.481 1.00 4.24 H new ATOM 0 HG23 VAL A 112 -2.792 3.706 9.784 1.00 4.24 H new ATOM 1649 N ASN A 113 -7.494 3.115 7.835 1.00 11.35 N ATOM 1650 CA ASN A 113 -8.957 3.058 7.692 1.00 22.01 C ATOM 1651 C ASN A 113 -9.568 4.372 8.111 1.00 30.32 C ATOM 1652 O ASN A 113 -10.674 4.426 8.655 1.00 0.52 O ATOM 1653 CB ASN A 113 -9.589 1.882 8.458 1.00 5.00 C ATOM 1654 CG ASN A 113 -9.164 0.531 7.920 1.00 32.20 C ATOM 1655 OD1 ASN A 113 -9.746 0.020 6.961 1.00 44.34 O ATOM 1656 ND2 ASN A 113 -8.203 -0.074 8.547 1.00 2.30 N ATOM 0 H ASN A 113 -7.007 2.882 6.970 1.00 11.35 H new ATOM 0 HA ASN A 113 -9.173 2.882 6.638 1.00 22.01 H new ATOM 0 HB2 ASN A 113 -9.314 1.951 9.511 1.00 5.00 H new ATOM 0 HB3 ASN A 113 -10.675 1.963 8.406 1.00 5.00 H new ATOM 0 HD21 ASN A 113 -7.906 -1.004 8.250 1.00 2.30 H new ATOM 0 HD22 ASN A 113 -7.744 0.380 9.337 1.00 2.30 H new ATOM 1663 N ARG A 114 -8.843 5.448 7.749 1.00 33.11 N ATOM 1664 CA ARG A 114 -9.223 6.841 8.011 1.00 72.23 C ATOM 1665 C ARG A 114 -9.193 7.186 9.506 1.00 11.43 C ATOM 1666 O ARG A 114 -9.704 8.214 9.924 1.00 55.15 O ATOM 1667 CB ARG A 114 -10.561 7.173 7.338 1.00 63.14 C ATOM 1668 CG ARG A 114 -10.478 7.055 5.819 1.00 61.22 C ATOM 1669 CD ARG A 114 -11.841 7.047 5.165 1.00 1.21 C ATOM 1670 NE ARG A 114 -12.661 5.942 5.667 1.00 1.35 N ATOM 1671 CZ ARG A 114 -12.758 4.719 5.112 1.00 33.43 C ATOM 1672 NH1 ARG A 114 -12.081 4.418 4.001 1.00 13.25 N ATOM 1673 NH2 ARG A 114 -13.531 3.817 5.673 1.00 42.43 N ATOM 0 H ARG A 114 -7.955 5.365 7.254 1.00 33.11 H new ATOM 0 HA ARG A 114 -8.470 7.486 7.558 1.00 72.23 H new ATOM 0 HB2 ARG A 114 -11.333 6.501 7.713 1.00 63.14 H new ATOM 0 HB3 ARG A 114 -10.862 8.185 7.608 1.00 63.14 H new ATOM 0 HG2 ARG A 114 -9.894 7.886 5.424 1.00 61.22 H new ATOM 0 HG3 ARG A 114 -9.947 6.140 5.557 1.00 61.22 H new ATOM 0 HD2 ARG A 114 -12.345 7.994 5.357 1.00 1.21 H new ATOM 0 HD3 ARG A 114 -11.729 6.959 4.084 1.00 1.21 H new ATOM 0 HE ARG A 114 -13.207 6.114 6.511 1.00 1.35 H new ATOM 0 HH11 ARG A 114 -11.482 5.118 3.563 1.00 13.25 H new ATOM 0 HH12 ARG A 114 -12.163 3.488 3.590 1.00 13.25 H new ATOM 0 HH21 ARG A 114 -14.050 4.046 6.520 1.00 42.43 H new ATOM 0 HH22 ARG A 114 -13.612 2.887 5.261 1.00 42.43 H new ATOM 1687 N GLU A 115 -8.538 6.343 10.288 1.00 22.21 N ATOM 1688 CA GLU A 115 -8.345 6.590 11.704 1.00 1.10 C ATOM 1689 C GLU A 115 -6.907 7.045 11.896 1.00 24.44 C ATOM 1690 O GLU A 115 -6.006 6.488 11.246 1.00 15.11 O ATOM 1691 CB GLU A 115 -8.499 5.299 12.511 1.00 74.23 C ATOM 1692 CG GLU A 115 -9.793 4.537 12.335 1.00 4.22 C ATOM 1693 CD GLU A 115 -9.793 3.280 13.174 1.00 42.45 C ATOM 1694 OE1 GLU A 115 -9.068 2.317 12.837 1.00 5.34 O ATOM 1695 OE2 GLU A 115 -10.484 3.241 14.224 1.00 1.42 O ATOM 0 H GLU A 115 -8.127 5.470 9.958 1.00 22.21 H new ATOM 0 HA GLU A 115 -9.078 7.325 12.036 1.00 1.10 H new ATOM 0 HB2 GLU A 115 -7.675 4.635 12.250 1.00 74.23 H new ATOM 0 HB3 GLU A 115 -8.389 5.543 13.568 1.00 74.23 H new ATOM 0 HG2 GLU A 115 -10.634 5.169 12.619 1.00 4.22 H new ATOM 0 HG3 GLU A 115 -9.928 4.279 11.285 1.00 4.22 H new ATOM 1702 N PRO A 116 -6.652 8.059 12.749 1.00 43.00 N ATOM 1703 CA PRO A 116 -5.285 8.490 13.061 1.00 75.31 C ATOM 1704 C PRO A 116 -4.527 7.325 13.686 1.00 63.35 C ATOM 1705 O PRO A 116 -4.985 6.724 14.670 1.00 0.33 O ATOM 1706 CB PRO A 116 -5.478 9.633 14.078 1.00 23.10 C ATOM 1707 CG PRO A 116 -6.873 9.475 14.588 1.00 25.44 C ATOM 1708 CD PRO A 116 -7.660 8.859 13.469 1.00 10.03 C ATOM 0 HA PRO A 116 -4.716 8.813 12.189 1.00 75.31 H new ATOM 0 HB2 PRO A 116 -4.753 9.565 14.889 1.00 23.10 H new ATOM 0 HB3 PRO A 116 -5.339 10.606 13.607 1.00 23.10 H new ATOM 0 HG2 PRO A 116 -6.894 8.841 15.474 1.00 25.44 H new ATOM 0 HG3 PRO A 116 -7.294 10.438 14.876 1.00 25.44 H new ATOM 0 HD2 PRO A 116 -8.474 8.238 13.843 1.00 10.03 H new ATOM 0 HD3 PRO A 116 -8.107 9.617 12.826 1.00 10.03 H new ATOM 1716 N ARG A 117 -3.416 6.971 13.114 1.00 72.02 N ATOM 1717 CA ARG A 117 -2.736 5.796 13.548 1.00 44.53 C ATOM 1718 C ARG A 117 -1.241 5.959 13.382 1.00 61.44 C ATOM 1719 O ARG A 117 -0.780 6.562 12.419 1.00 41.53 O ATOM 1720 CB ARG A 117 -3.212 4.623 12.691 1.00 65.21 C ATOM 1721 CG ARG A 117 -2.788 3.264 13.189 1.00 52.44 C ATOM 1722 CD ARG A 117 -3.550 2.876 14.441 1.00 74.22 C ATOM 1723 NE ARG A 117 -4.989 2.675 14.174 1.00 62.23 N ATOM 1724 CZ ARG A 117 -5.873 2.245 15.085 1.00 64.11 C ATOM 1725 NH1 ARG A 117 -5.490 2.059 16.344 1.00 2.23 N ATOM 1726 NH2 ARG A 117 -7.141 2.028 14.747 1.00 60.33 N ATOM 0 H ARG A 117 -2.966 7.477 12.351 1.00 72.02 H new ATOM 0 HA ARG A 117 -2.952 5.618 14.601 1.00 44.53 H new ATOM 0 HB2 ARG A 117 -4.300 4.651 12.634 1.00 65.21 H new ATOM 0 HB3 ARG A 117 -2.836 4.756 11.676 1.00 65.21 H new ATOM 0 HG2 ARG A 117 -2.958 2.520 12.411 1.00 52.44 H new ATOM 0 HG3 ARG A 117 -1.718 3.268 13.398 1.00 52.44 H new ATOM 0 HD2 ARG A 117 -3.127 1.960 14.854 1.00 74.22 H new ATOM 0 HD3 ARG A 117 -3.426 3.653 15.196 1.00 74.22 H new ATOM 0 HE ARG A 117 -5.332 2.877 13.235 1.00 62.23 H new ATOM 0 HH11 ARG A 117 -4.524 2.243 16.616 1.00 2.23 H new ATOM 0 HH12 ARG A 117 -6.162 1.732 17.038 1.00 2.23 H new ATOM 0 HH21 ARG A 117 -7.448 2.189 13.788 1.00 60.33 H new ATOM 0 HH22 ARG A 117 -7.807 1.701 15.447 1.00 60.33 H new ATOM 1740 N ASN A 118 -0.498 5.448 14.320 1.00 75.42 N ATOM 1741 CA ASN A 118 0.940 5.437 14.222 1.00 62.51 C ATOM 1742 C ASN A 118 1.369 4.069 13.723 1.00 14.31 C ATOM 1743 O ASN A 118 1.969 3.950 12.686 1.00 42.03 O ATOM 1744 CB ASN A 118 1.597 5.759 15.575 1.00 62.02 C ATOM 1745 CG ASN A 118 3.116 5.919 15.487 1.00 1.51 C ATOM 1746 OD1 ASN A 118 3.621 7.022 15.217 1.00 63.04 O ATOM 1747 ND2 ASN A 118 3.850 4.872 15.768 1.00 33.43 N ATOM 0 H ASN A 118 -0.866 5.027 15.173 1.00 75.42 H new ATOM 0 HA ASN A 118 1.265 6.209 13.524 1.00 62.51 H new ATOM 0 HB2 ASN A 118 1.164 6.677 15.972 1.00 62.02 H new ATOM 0 HB3 ASN A 118 1.363 4.964 16.283 1.00 62.02 H new ATOM 0 HD21 ASN A 118 4.867 4.948 15.769 1.00 33.43 H new ATOM 0 HD22 ASN A 118 3.405 3.980 15.985 1.00 33.43 H new ATOM 1754 N ALA A 119 1.019 3.036 14.442 1.00 21.33 N ATOM 1755 CA ALA A 119 1.364 1.692 14.021 1.00 5.11 C ATOM 1756 C ALA A 119 0.182 0.783 14.203 1.00 31.04 C ATOM 1757 O ALA A 119 -0.561 0.920 15.187 1.00 73.34 O ATOM 1758 CB ALA A 119 2.563 1.170 14.786 1.00 72.31 C ATOM 0 H ALA A 119 0.498 3.091 15.317 1.00 21.33 H new ATOM 0 HA ALA A 119 1.633 1.718 12.965 1.00 5.11 H new ATOM 0 HB1 ALA A 119 2.798 0.160 14.449 1.00 72.31 H new ATOM 0 HB2 ALA A 119 3.419 1.821 14.608 1.00 72.31 H new ATOM 0 HB3 ALA A 119 2.335 1.153 15.852 1.00 72.31 H new ATOM 1764 N GLN A 120 -0.038 -0.088 13.253 1.00 54.22 N ATOM 1765 CA GLN A 120 -1.142 -1.017 13.326 1.00 22.21 C ATOM 1766 C GLN A 120 -0.794 -2.267 12.529 1.00 21.13 C ATOM 1767 O GLN A 120 -0.108 -2.183 11.496 1.00 63.05 O ATOM 1768 CB GLN A 120 -2.427 -0.359 12.786 1.00 42.03 C ATOM 1769 CG GLN A 120 -3.711 -0.690 13.577 1.00 44.22 C ATOM 1770 CD GLN A 120 -4.092 -2.149 13.555 1.00 1.21 C ATOM 1771 OE1 GLN A 120 -3.671 -2.934 14.409 1.00 1.15 O ATOM 1772 NE2 GLN A 120 -4.887 -2.521 12.602 1.00 74.30 N ATOM 0 H GLN A 120 0.535 -0.176 12.414 1.00 54.22 H new ATOM 0 HA GLN A 120 -1.321 -1.297 14.364 1.00 22.21 H new ATOM 0 HB2 GLN A 120 -2.289 0.722 12.782 1.00 42.03 H new ATOM 0 HB3 GLN A 120 -2.567 -0.667 11.750 1.00 42.03 H new ATOM 0 HG2 GLN A 120 -3.577 -0.377 14.612 1.00 44.22 H new ATOM 0 HG3 GLN A 120 -4.536 -0.105 13.171 1.00 44.22 H new ATOM 0 HE21 GLN A 120 -5.213 -1.841 11.915 1.00 74.30 H new ATOM 0 HE22 GLN A 120 -5.187 -3.494 12.539 1.00 74.30 H new ATOM 1781 N VAL A 121 -1.225 -3.404 13.016 1.00 53.23 N ATOM 1782 CA VAL A 121 -1.025 -4.666 12.340 1.00 43.43 C ATOM 1783 C VAL A 121 -2.109 -4.783 11.281 1.00 55.30 C ATOM 1784 O VAL A 121 -3.278 -4.584 11.571 1.00 15.44 O ATOM 1785 CB VAL A 121 -1.103 -5.859 13.336 1.00 31.44 C ATOM 1786 CG1 VAL A 121 -0.895 -7.190 12.627 1.00 14.41 C ATOM 1787 CG2 VAL A 121 -0.071 -5.685 14.437 1.00 21.51 C ATOM 0 H VAL A 121 -1.729 -3.483 13.899 1.00 53.23 H new ATOM 0 HA VAL A 121 -0.034 -4.698 11.888 1.00 43.43 H new ATOM 0 HB VAL A 121 -2.101 -5.867 13.775 1.00 31.44 H new ATOM 0 HG11 VAL A 121 -0.956 -8.002 13.352 1.00 14.41 H new ATOM 0 HG12 VAL A 121 -1.666 -7.323 11.868 1.00 14.41 H new ATOM 0 HG13 VAL A 121 0.086 -7.200 12.152 1.00 14.41 H new ATOM 0 HG21 VAL A 121 -0.133 -6.524 15.130 1.00 21.51 H new ATOM 0 HG22 VAL A 121 0.926 -5.649 13.999 1.00 21.51 H new ATOM 0 HG23 VAL A 121 -0.265 -4.757 14.974 1.00 21.51 H new ATOM 1797 N MET A 122 -1.731 -5.116 10.088 1.00 5.31 N ATOM 1798 CA MET A 122 -2.652 -5.067 8.967 1.00 72.41 C ATOM 1799 C MET A 122 -3.407 -6.347 8.784 1.00 3.12 C ATOM 1800 O MET A 122 -2.916 -7.454 9.096 1.00 64.13 O ATOM 1801 CB MET A 122 -1.916 -4.766 7.660 1.00 1.30 C ATOM 1802 CG MET A 122 -1.162 -3.442 7.569 1.00 52.03 C ATOM 1803 SD MET A 122 -2.192 -1.941 7.470 1.00 43.32 S ATOM 1804 CE MET A 122 -2.773 -1.723 9.146 1.00 51.44 C ATOM 0 H MET A 122 -0.789 -5.428 9.851 1.00 5.31 H new ATOM 0 HA MET A 122 -3.357 -4.269 9.203 1.00 72.41 H new ATOM 0 HB2 MET A 122 -1.205 -5.572 7.480 1.00 1.30 H new ATOM 0 HB3 MET A 122 -2.643 -4.796 6.849 1.00 1.30 H new ATOM 0 HG2 MET A 122 -0.512 -3.356 8.440 1.00 52.03 H new ATOM 0 HG3 MET A 122 -0.516 -3.474 6.692 1.00 52.03 H new ATOM 0 HE1 MET A 122 -3.825 -2.003 9.206 1.00 51.44 H new ATOM 0 HE2 MET A 122 -2.191 -2.353 9.818 1.00 51.44 H new ATOM 0 HE3 MET A 122 -2.659 -0.679 9.438 1.00 51.44 H new ATOM 1814 N GLN A 123 -4.595 -6.187 8.303 1.00 60.33 N ATOM 1815 CA GLN A 123 -5.431 -7.260 7.901 1.00 64.12 C ATOM 1816 C GLN A 123 -5.703 -7.044 6.438 1.00 1.44 C ATOM 1817 O GLN A 123 -5.536 -5.919 5.924 1.00 10.33 O ATOM 1818 CB GLN A 123 -6.772 -7.269 8.650 1.00 24.20 C ATOM 1819 CG GLN A 123 -7.688 -6.116 8.270 1.00 42.52 C ATOM 1820 CD GLN A 123 -9.031 -6.194 8.905 1.00 33.45 C ATOM 1821 OE1 GLN A 123 -9.240 -5.683 10.000 1.00 73.55 O ATOM 1822 NE2 GLN A 123 -9.959 -6.801 8.220 1.00 40.20 N ATOM 0 H GLN A 123 -5.023 -5.270 8.176 1.00 60.33 H new ATOM 0 HA GLN A 123 -4.938 -8.208 8.115 1.00 64.12 H new ATOM 0 HB2 GLN A 123 -7.284 -8.210 8.450 1.00 24.20 H new ATOM 0 HB3 GLN A 123 -6.580 -7.232 9.722 1.00 24.20 H new ATOM 0 HG2 GLN A 123 -7.214 -5.176 8.554 1.00 42.52 H new ATOM 0 HG3 GLN A 123 -7.807 -6.098 7.187 1.00 42.52 H new ATOM 0 HE21 GLN A 123 -9.737 -7.211 7.313 1.00 40.20 H new ATOM 0 HE22 GLN A 123 -10.907 -6.866 8.591 1.00 40.20 H new ATOM 1831 N THR A 124 -6.039 -8.077 5.756 1.00 64.52 N ATOM 1832 CA THR A 124 -6.457 -7.938 4.408 1.00 24.24 C ATOM 1833 C THR A 124 -7.752 -7.087 4.382 1.00 24.55 C ATOM 1834 O THR A 124 -8.669 -7.282 5.211 1.00 1.51 O ATOM 1835 CB THR A 124 -6.668 -9.326 3.750 1.00 2.45 C ATOM 1836 OG1 THR A 124 -7.010 -9.186 2.366 1.00 33.32 O ATOM 1837 CG2 THR A 124 -7.740 -10.122 4.467 1.00 14.23 C ATOM 0 H THR A 124 -6.033 -9.033 6.110 1.00 64.52 H new ATOM 0 HA THR A 124 -5.686 -7.432 3.828 1.00 24.24 H new ATOM 0 HB THR A 124 -5.727 -9.870 3.830 1.00 2.45 H new ATOM 0 HG1 THR A 124 -7.137 -10.073 1.969 1.00 33.32 H new ATOM 0 HG21 THR A 124 -7.862 -11.089 3.980 1.00 14.23 H new ATOM 0 HG22 THR A 124 -7.447 -10.273 5.506 1.00 14.23 H new ATOM 0 HG23 THR A 124 -8.683 -9.576 4.432 1.00 14.23 H new ATOM 1845 N GLY A 125 -7.797 -6.129 3.499 1.00 64.12 N ATOM 1846 CA GLY A 125 -8.939 -5.274 3.411 1.00 54.22 C ATOM 1847 C GLY A 125 -8.727 -3.939 4.101 1.00 10.12 C ATOM 1848 O GLY A 125 -9.643 -3.109 4.133 1.00 34.21 O ATOM 0 H GLY A 125 -7.054 -5.923 2.831 1.00 64.12 H new ATOM 0 HA2 GLY A 125 -9.179 -5.102 2.362 1.00 54.22 H new ATOM 0 HA3 GLY A 125 -9.798 -5.776 3.856 1.00 54.22 H new ATOM 1852 N ASP A 126 -7.552 -3.723 4.674 1.00 33.34 N ATOM 1853 CA ASP A 126 -7.256 -2.427 5.291 1.00 5.45 C ATOM 1854 C ASP A 126 -6.955 -1.375 4.256 1.00 35.33 C ATOM 1855 O ASP A 126 -6.301 -1.648 3.237 1.00 62.22 O ATOM 1856 CB ASP A 126 -6.113 -2.472 6.325 1.00 13.11 C ATOM 1857 CG ASP A 126 -6.533 -2.986 7.684 1.00 61.53 C ATOM 1858 OD1 ASP A 126 -7.670 -2.664 8.134 1.00 74.21 O ATOM 1859 OD2 ASP A 126 -5.728 -3.668 8.360 1.00 15.31 O ATOM 0 H ASP A 126 -6.799 -4.409 4.728 1.00 33.34 H new ATOM 0 HA ASP A 126 -8.166 -2.162 5.830 1.00 5.45 H new ATOM 0 HB2 ASP A 126 -5.313 -3.105 5.940 1.00 13.11 H new ATOM 0 HB3 ASP A 126 -5.700 -1.470 6.439 1.00 13.11 H new ATOM 1864 N GLU A 127 -7.437 -0.180 4.507 1.00 30.32 N ATOM 1865 CA GLU A 127 -7.178 0.946 3.646 1.00 4.42 C ATOM 1866 C GLU A 127 -6.294 1.914 4.396 1.00 1.15 C ATOM 1867 O GLU A 127 -6.600 2.300 5.511 1.00 54.10 O ATOM 1868 CB GLU A 127 -8.468 1.693 3.270 1.00 14.43 C ATOM 1869 CG GLU A 127 -9.518 0.890 2.522 1.00 22.13 C ATOM 1870 CD GLU A 127 -10.697 1.759 2.130 1.00 64.23 C ATOM 1871 OE1 GLU A 127 -11.594 1.993 2.977 1.00 42.21 O ATOM 1872 OE2 GLU A 127 -10.734 2.254 0.965 1.00 41.30 O ATOM 0 H GLU A 127 -8.020 0.037 5.315 1.00 30.32 H new ATOM 0 HA GLU A 127 -6.712 0.575 2.733 1.00 4.42 H new ATOM 0 HB2 GLU A 127 -8.919 2.078 4.185 1.00 14.43 H new ATOM 0 HB3 GLU A 127 -8.198 2.555 2.660 1.00 14.43 H new ATOM 0 HG2 GLU A 127 -9.075 0.450 1.629 1.00 22.13 H new ATOM 0 HG3 GLU A 127 -9.862 0.066 3.147 1.00 22.13 H new ATOM 1879 N ILE A 128 -5.226 2.297 3.807 1.00 73.44 N ATOM 1880 CA ILE A 128 -4.326 3.248 4.401 1.00 3.51 C ATOM 1881 C ILE A 128 -4.487 4.537 3.649 1.00 52.33 C ATOM 1882 O ILE A 128 -4.298 4.593 2.438 1.00 72.14 O ATOM 1883 CB ILE A 128 -2.863 2.754 4.329 1.00 10.21 C ATOM 1884 CG1 ILE A 128 -2.769 1.360 4.968 1.00 44.34 C ATOM 1885 CG2 ILE A 128 -1.931 3.735 5.044 1.00 62.23 C ATOM 1886 CD1 ILE A 128 -1.413 0.719 4.857 1.00 72.32 C ATOM 0 H ILE A 128 -4.935 1.964 2.888 1.00 73.44 H new ATOM 0 HA ILE A 128 -4.560 3.382 5.457 1.00 3.51 H new ATOM 0 HB ILE A 128 -2.553 2.694 3.286 1.00 10.21 H new ATOM 0 HG12 ILE A 128 -3.036 1.437 6.022 1.00 44.34 H new ATOM 0 HG13 ILE A 128 -3.506 0.708 4.499 1.00 44.34 H new ATOM 0 HG21 ILE A 128 -0.905 3.372 4.984 1.00 62.23 H new ATOM 0 HG22 ILE A 128 -1.998 4.713 4.568 1.00 62.23 H new ATOM 0 HG23 ILE A 128 -2.225 3.819 6.090 1.00 62.23 H new ATOM 0 HD11 ILE A 128 -1.434 -0.261 5.333 1.00 72.32 H new ATOM 0 HD12 ILE A 128 -1.149 0.606 3.806 1.00 72.32 H new ATOM 0 HD13 ILE A 128 -0.672 1.347 5.352 1.00 72.32 H new ATOM 1898 N GLN A 129 -4.878 5.541 4.353 1.00 32.31 N ATOM 1899 CA GLN A 129 -5.189 6.804 3.779 1.00 5.13 C ATOM 1900 C GLN A 129 -4.057 7.740 4.134 1.00 62.55 C ATOM 1901 O GLN A 129 -3.768 7.959 5.312 1.00 11.32 O ATOM 1902 CB GLN A 129 -6.536 7.283 4.363 1.00 51.32 C ATOM 1903 CG GLN A 129 -7.342 8.288 3.521 1.00 45.44 C ATOM 1904 CD GLN A 129 -6.718 9.663 3.356 1.00 71.54 C ATOM 1905 OE1 GLN A 129 -5.991 10.141 4.209 1.00 2.13 O ATOM 1906 NE2 GLN A 129 -7.039 10.317 2.275 1.00 61.01 N ATOM 0 H GLN A 129 -4.993 5.507 5.366 1.00 32.31 H new ATOM 0 HA GLN A 129 -5.291 6.760 2.695 1.00 5.13 H new ATOM 0 HB2 GLN A 129 -7.161 6.407 4.536 1.00 51.32 H new ATOM 0 HB3 GLN A 129 -6.343 7.734 5.336 1.00 51.32 H new ATOM 0 HG2 GLN A 129 -7.499 7.860 2.531 1.00 45.44 H new ATOM 0 HG3 GLN A 129 -8.325 8.408 3.976 1.00 45.44 H new ATOM 0 HE21 GLN A 129 -7.650 9.887 1.581 1.00 61.01 H new ATOM 0 HE22 GLN A 129 -6.679 11.259 2.123 1.00 61.01 H new ATOM 1915 N ILE A 130 -3.377 8.220 3.143 1.00 73.24 N ATOM 1916 CA ILE A 130 -2.295 9.133 3.368 1.00 24.00 C ATOM 1917 C ILE A 130 -2.643 10.438 2.695 1.00 44.34 C ATOM 1918 O ILE A 130 -2.528 10.552 1.479 1.00 43.12 O ATOM 1919 CB ILE A 130 -0.955 8.580 2.760 1.00 3.52 C ATOM 1920 CG1 ILE A 130 -0.578 7.203 3.356 1.00 3.05 C ATOM 1921 CG2 ILE A 130 0.193 9.575 2.925 1.00 20.40 C ATOM 1922 CD1 ILE A 130 -0.374 7.198 4.861 1.00 4.22 C ATOM 0 H ILE A 130 -3.551 7.995 2.163 1.00 73.24 H new ATOM 0 HA ILE A 130 -2.151 9.267 4.440 1.00 24.00 H new ATOM 0 HB ILE A 130 -1.128 8.443 1.693 1.00 3.52 H new ATOM 0 HG12 ILE A 130 -1.362 6.487 3.107 1.00 3.05 H new ATOM 0 HG13 ILE A 130 0.337 6.853 2.878 1.00 3.05 H new ATOM 0 HG21 ILE A 130 1.102 9.157 2.492 1.00 20.40 H new ATOM 0 HG22 ILE A 130 -0.056 10.506 2.416 1.00 20.40 H new ATOM 0 HG23 ILE A 130 0.353 9.773 3.985 1.00 20.40 H new ATOM 0 HD11 ILE A 130 -0.113 6.192 5.189 1.00 4.22 H new ATOM 0 HD12 ILE A 130 0.431 7.885 5.121 1.00 4.22 H new ATOM 0 HD13 ILE A 130 -1.294 7.513 5.354 1.00 4.22 H new ATOM 1934 N GLY A 131 -3.083 11.408 3.478 1.00 63.43 N ATOM 1935 CA GLY A 131 -3.437 12.723 2.963 1.00 53.44 C ATOM 1936 C GLY A 131 -4.660 12.711 2.033 1.00 11.35 C ATOM 1937 O GLY A 131 -5.747 13.140 2.403 1.00 51.14 O ATOM 0 H GLY A 131 -3.205 11.309 4.486 1.00 63.43 H new ATOM 0 HA2 GLY A 131 -3.635 13.391 3.801 1.00 53.44 H new ATOM 0 HA3 GLY A 131 -2.584 13.134 2.423 1.00 53.44 H new ATOM 1941 N LYS A 132 -4.460 12.210 0.842 1.00 63.34 N ATOM 1942 CA LYS A 132 -5.469 12.139 -0.199 1.00 41.14 C ATOM 1943 C LYS A 132 -5.261 10.863 -1.018 1.00 23.04 C ATOM 1944 O LYS A 132 -5.786 10.713 -2.128 1.00 31.05 O ATOM 1945 CB LYS A 132 -5.360 13.378 -1.093 1.00 60.43 C ATOM 1946 CG LYS A 132 -3.958 13.620 -1.616 1.00 64.24 C ATOM 1947 CD LYS A 132 -3.881 14.868 -2.458 1.00 35.21 C ATOM 1948 CE LYS A 132 -2.444 15.177 -2.811 1.00 53.21 C ATOM 1949 NZ LYS A 132 -2.306 16.379 -3.640 1.00 31.32 N ATOM 0 H LYS A 132 -3.561 11.825 0.554 1.00 63.34 H new ATOM 0 HA LYS A 132 -6.465 12.112 0.244 1.00 41.14 H new ATOM 0 HB2 LYS A 132 -6.041 13.269 -1.937 1.00 60.43 H new ATOM 0 HB3 LYS A 132 -5.686 14.253 -0.531 1.00 60.43 H new ATOM 0 HG2 LYS A 132 -3.267 13.704 -0.777 1.00 64.24 H new ATOM 0 HG3 LYS A 132 -3.638 12.762 -2.208 1.00 64.24 H new ATOM 0 HD2 LYS A 132 -4.466 14.737 -3.368 1.00 35.21 H new ATOM 0 HD3 LYS A 132 -4.318 15.707 -1.917 1.00 35.21 H new ATOM 0 HE2 LYS A 132 -1.870 15.306 -1.894 1.00 53.21 H new ATOM 0 HE3 LYS A 132 -2.014 14.326 -3.339 1.00 53.21 H new ATOM 0 HZ1 LYS A 132 -1.383 16.823 -3.457 1.00 31.32 H new ATOM 0 HZ2 LYS A 132 -2.371 16.117 -4.644 1.00 31.32 H new ATOM 0 HZ3 LYS A 132 -3.065 17.050 -3.407 1.00 31.32 H new ATOM 1963 N PHE A 133 -4.498 9.958 -0.455 1.00 4.41 N ATOM 1964 CA PHE A 133 -4.185 8.695 -1.078 1.00 11.11 C ATOM 1965 C PHE A 133 -4.893 7.584 -0.346 1.00 74.25 C ATOM 1966 O PHE A 133 -5.110 7.678 0.857 1.00 32.11 O ATOM 1967 CB PHE A 133 -2.677 8.392 -1.000 1.00 12.45 C ATOM 1968 CG PHE A 133 -1.762 9.265 -1.814 1.00 74.41 C ATOM 1969 CD1 PHE A 133 -1.382 10.523 -1.370 1.00 23.51 C ATOM 1970 CD2 PHE A 133 -1.250 8.802 -3.006 1.00 32.45 C ATOM 1971 CE1 PHE A 133 -0.514 11.300 -2.110 1.00 2.21 C ATOM 1972 CE2 PHE A 133 -0.379 9.567 -3.742 1.00 53.35 C ATOM 1973 CZ PHE A 133 -0.011 10.819 -3.297 1.00 44.24 C ATOM 0 H PHE A 133 -4.070 10.080 0.463 1.00 4.41 H new ATOM 0 HA PHE A 133 -4.500 8.758 -2.120 1.00 11.11 H new ATOM 0 HB2 PHE A 133 -2.371 8.461 0.044 1.00 12.45 H new ATOM 0 HB3 PHE A 133 -2.523 7.358 -1.309 1.00 12.45 H new ATOM 0 HD1 PHE A 133 -1.770 10.899 -0.435 1.00 23.51 H new ATOM 0 HD2 PHE A 133 -1.537 7.825 -3.366 1.00 32.45 H new ATOM 0 HE1 PHE A 133 -0.231 12.281 -1.759 1.00 2.21 H new ATOM 0 HE2 PHE A 133 0.019 9.187 -4.671 1.00 53.35 H new ATOM 0 HZ PHE A 133 0.671 11.421 -3.879 1.00 44.24 H new ATOM 1983 N ARG A 134 -5.250 6.556 -1.058 1.00 31.52 N ATOM 1984 CA ARG A 134 -5.774 5.353 -0.450 1.00 33.04 C ATOM 1985 C ARG A 134 -5.013 4.170 -0.965 1.00 51.23 C ATOM 1986 O ARG A 134 -4.990 3.922 -2.180 1.00 22.22 O ATOM 1987 CB ARG A 134 -7.265 5.098 -0.717 1.00 34.25 C ATOM 1988 CG ARG A 134 -8.255 6.006 -0.017 1.00 52.03 C ATOM 1989 CD ARG A 134 -9.655 5.437 -0.199 1.00 52.51 C ATOM 1990 NE ARG A 134 -10.706 6.255 0.392 1.00 51.52 N ATOM 1991 CZ ARG A 134 -11.924 5.791 0.759 1.00 32.14 C ATOM 1992 NH1 ARG A 134 -12.156 4.487 0.878 1.00 51.13 N ATOM 1993 NH2 ARG A 134 -12.864 6.627 1.092 1.00 54.03 N ATOM 0 H ARG A 134 -5.189 6.521 -2.076 1.00 31.52 H new ATOM 0 HA ARG A 134 -5.659 5.495 0.625 1.00 33.04 H new ATOM 0 HB2 ARG A 134 -7.435 5.176 -1.791 1.00 34.25 H new ATOM 0 HB3 ARG A 134 -7.489 4.070 -0.433 1.00 34.25 H new ATOM 0 HG2 ARG A 134 -8.013 6.082 1.043 1.00 52.03 H new ATOM 0 HG3 ARG A 134 -8.200 7.013 -0.429 1.00 52.03 H new ATOM 0 HD2 ARG A 134 -9.854 5.321 -1.264 1.00 52.51 H new ATOM 0 HD3 ARG A 134 -9.692 4.441 0.242 1.00 52.51 H new ATOM 0 HE ARG A 134 -10.511 7.245 0.539 1.00 51.52 H new ATOM 0 HH11 ARG A 134 -11.410 3.817 0.692 1.00 51.13 H new ATOM 0 HH12 ARG A 134 -13.080 4.157 1.156 1.00 51.13 H new ATOM 0 HH21 ARG A 134 -12.683 7.631 1.076 1.00 54.03 H new ATOM 0 HH22 ARG A 134 -13.782 6.279 1.369 1.00 54.03 H new ATOM 2007 N LEU A 135 -4.393 3.474 -0.078 1.00 13.34 N ATOM 2008 CA LEU A 135 -3.715 2.253 -0.382 1.00 11.51 C ATOM 2009 C LEU A 135 -4.563 1.146 0.174 1.00 31.30 C ATOM 2010 O LEU A 135 -5.028 1.239 1.297 1.00 3.14 O ATOM 2011 CB LEU A 135 -2.338 2.219 0.285 1.00 11.04 C ATOM 2012 CG LEU A 135 -1.391 3.362 -0.062 1.00 35.52 C ATOM 2013 CD1 LEU A 135 -0.125 3.275 0.776 1.00 42.34 C ATOM 2014 CD2 LEU A 135 -1.042 3.348 -1.538 1.00 60.01 C ATOM 0 H LEU A 135 -4.339 3.741 0.905 1.00 13.34 H new ATOM 0 HA LEU A 135 -3.568 2.153 -1.457 1.00 11.51 H new ATOM 0 HB2 LEU A 135 -2.481 2.210 1.365 1.00 11.04 H new ATOM 0 HB3 LEU A 135 -1.852 1.280 0.020 1.00 11.04 H new ATOM 0 HG LEU A 135 -1.898 4.300 0.162 1.00 35.52 H new ATOM 0 HD11 LEU A 135 0.541 4.098 0.516 1.00 42.34 H new ATOM 0 HD12 LEU A 135 -0.383 3.337 1.833 1.00 42.34 H new ATOM 0 HD13 LEU A 135 0.377 2.327 0.580 1.00 42.34 H new ATOM 0 HD21 LEU A 135 -0.365 4.173 -1.760 1.00 60.01 H new ATOM 0 HD22 LEU A 135 -0.558 2.404 -1.788 1.00 60.01 H new ATOM 0 HD23 LEU A 135 -1.952 3.456 -2.128 1.00 60.01 H new ATOM 2026 N VAL A 136 -4.792 0.154 -0.589 1.00 33.03 N ATOM 2027 CA VAL A 136 -5.590 -0.952 -0.149 1.00 64.43 C ATOM 2028 C VAL A 136 -4.693 -2.150 -0.017 1.00 10.12 C ATOM 2029 O VAL A 136 -4.044 -2.556 -0.984 1.00 32.55 O ATOM 2030 CB VAL A 136 -6.736 -1.274 -1.145 1.00 53.34 C ATOM 2031 CG1 VAL A 136 -7.604 -2.410 -0.618 1.00 22.23 C ATOM 2032 CG2 VAL A 136 -7.583 -0.041 -1.406 1.00 44.50 C ATOM 0 H VAL A 136 -4.438 0.070 -1.542 1.00 33.03 H new ATOM 0 HA VAL A 136 -6.050 -0.694 0.805 1.00 64.43 H new ATOM 0 HB VAL A 136 -6.287 -1.590 -2.087 1.00 53.34 H new ATOM 0 HG11 VAL A 136 -8.401 -2.620 -1.331 1.00 22.23 H new ATOM 0 HG12 VAL A 136 -6.993 -3.303 -0.484 1.00 22.23 H new ATOM 0 HG13 VAL A 136 -8.040 -2.121 0.339 1.00 22.23 H new ATOM 0 HG21 VAL A 136 -8.380 -0.289 -2.107 1.00 44.50 H new ATOM 0 HG22 VAL A 136 -8.018 0.306 -0.469 1.00 44.50 H new ATOM 0 HG23 VAL A 136 -6.959 0.746 -1.830 1.00 44.50 H new ATOM 2042 N PHE A 137 -4.626 -2.675 1.162 1.00 62.34 N ATOM 2043 CA PHE A 137 -3.803 -3.809 1.449 1.00 1.54 C ATOM 2044 C PHE A 137 -4.659 -5.063 1.374 1.00 62.50 C ATOM 2045 O PHE A 137 -5.660 -5.183 2.083 1.00 53.13 O ATOM 2046 CB PHE A 137 -3.190 -3.643 2.847 1.00 61.21 C ATOM 2047 CG PHE A 137 -2.286 -4.759 3.281 1.00 33.21 C ATOM 2048 CD1 PHE A 137 -0.949 -4.750 2.939 1.00 32.41 C ATOM 2049 CD2 PHE A 137 -2.778 -5.813 4.040 1.00 75.10 C ATOM 2050 CE1 PHE A 137 -0.118 -5.769 3.341 1.00 23.21 C ATOM 2051 CE2 PHE A 137 -1.952 -6.833 4.444 1.00 41.11 C ATOM 2052 CZ PHE A 137 -0.620 -6.810 4.094 1.00 62.00 C ATOM 0 H PHE A 137 -5.148 -2.325 1.966 1.00 62.34 H new ATOM 0 HA PHE A 137 -2.993 -3.892 0.725 1.00 1.54 H new ATOM 0 HB2 PHE A 137 -2.627 -2.710 2.872 1.00 61.21 H new ATOM 0 HB3 PHE A 137 -3.998 -3.548 3.572 1.00 61.21 H new ATOM 0 HD1 PHE A 137 -0.552 -3.936 2.351 1.00 32.41 H new ATOM 0 HD2 PHE A 137 -3.822 -5.831 4.316 1.00 75.10 H new ATOM 0 HE1 PHE A 137 0.927 -5.754 3.067 1.00 23.21 H new ATOM 0 HE2 PHE A 137 -2.345 -7.649 5.033 1.00 41.11 H new ATOM 0 HZ PHE A 137 0.033 -7.610 4.410 1.00 62.00 H new ATOM 2062 N LEU A 138 -4.292 -5.975 0.523 1.00 35.00 N ATOM 2063 CA LEU A 138 -5.046 -7.190 0.349 1.00 40.43 C ATOM 2064 C LEU A 138 -4.132 -8.385 0.409 1.00 32.55 C ATOM 2065 O LEU A 138 -3.039 -8.367 -0.143 1.00 61.24 O ATOM 2066 CB LEU A 138 -5.782 -7.190 -1.007 1.00 12.21 C ATOM 2067 CG LEU A 138 -6.856 -6.113 -1.220 1.00 42.01 C ATOM 2068 CD1 LEU A 138 -7.383 -6.166 -2.644 1.00 40.33 C ATOM 2069 CD2 LEU A 138 -8.003 -6.292 -0.233 1.00 11.03 C ATOM 0 H LEU A 138 -3.465 -5.902 -0.070 1.00 35.00 H new ATOM 0 HA LEU A 138 -5.779 -7.246 1.154 1.00 40.43 H new ATOM 0 HB2 LEU A 138 -5.037 -7.086 -1.796 1.00 12.21 H new ATOM 0 HB3 LEU A 138 -6.251 -8.165 -1.138 1.00 12.21 H new ATOM 0 HG LEU A 138 -6.399 -5.139 -1.048 1.00 42.01 H new ATOM 0 HD11 LEU A 138 -8.143 -5.397 -2.779 1.00 40.33 H new ATOM 0 HD12 LEU A 138 -6.564 -5.993 -3.342 1.00 40.33 H new ATOM 0 HD13 LEU A 138 -7.821 -7.146 -2.834 1.00 40.33 H new ATOM 0 HD21 LEU A 138 -8.752 -5.519 -0.402 1.00 11.03 H new ATOM 0 HD22 LEU A 138 -8.456 -7.273 -0.376 1.00 11.03 H new ATOM 0 HD23 LEU A 138 -7.622 -6.212 0.785 1.00 11.03 H new ATOM 2081 N ALA A 139 -4.555 -9.398 1.096 1.00 14.33 N ATOM 2082 CA ALA A 139 -3.856 -10.643 1.091 1.00 2.24 C ATOM 2083 C ALA A 139 -4.435 -11.420 -0.055 1.00 22.04 C ATOM 2084 O ALA A 139 -5.637 -11.691 -0.074 1.00 53.45 O ATOM 2085 CB ALA A 139 -4.047 -11.386 2.407 1.00 2.12 C ATOM 0 H ALA A 139 -5.394 -9.385 1.676 1.00 14.33 H new ATOM 0 HA ALA A 139 -2.781 -10.500 0.980 1.00 2.24 H new ATOM 0 HB1 ALA A 139 -3.503 -12.330 2.374 1.00 2.12 H new ATOM 0 HB2 ALA A 139 -3.667 -10.777 3.227 1.00 2.12 H new ATOM 0 HB3 ALA A 139 -5.108 -11.583 2.563 1.00 2.12 H new ATOM 2091 N GLY A 140 -3.623 -11.763 -0.999 1.00 22.33 N ATOM 2092 CA GLY A 140 -4.147 -12.349 -2.181 1.00 75.40 C ATOM 2093 C GLY A 140 -3.182 -13.265 -2.867 1.00 54.23 C ATOM 2094 O GLY A 140 -2.571 -14.126 -2.211 1.00 64.22 O ATOM 0 H GLY A 140 -2.610 -11.649 -0.975 1.00 22.33 H new ATOM 0 HA2 GLY A 140 -5.051 -12.905 -1.932 1.00 75.40 H new ATOM 0 HA3 GLY A 140 -4.439 -11.558 -2.871 1.00 75.40 H new ATOM 2098 N PRO A 141 -3.035 -13.116 -4.192 1.00 33.14 N ATOM 2099 CA PRO A 141 -2.158 -13.951 -5.011 1.00 64.10 C ATOM 2100 C PRO A 141 -0.665 -13.710 -4.779 1.00 63.54 C ATOM 2101 O PRO A 141 -0.245 -12.688 -4.224 1.00 23.54 O ATOM 2102 CB PRO A 141 -2.513 -13.556 -6.457 1.00 20.02 C ATOM 2103 CG PRO A 141 -3.767 -12.774 -6.362 1.00 32.41 C ATOM 2104 CD PRO A 141 -3.745 -12.127 -5.023 1.00 62.33 C ATOM 0 HA PRO A 141 -2.313 -15.002 -4.769 1.00 64.10 H new ATOM 0 HB2 PRO A 141 -1.716 -12.965 -6.908 1.00 20.02 H new ATOM 0 HB3 PRO A 141 -2.648 -14.439 -7.082 1.00 20.02 H new ATOM 0 HG2 PRO A 141 -3.823 -12.028 -7.155 1.00 32.41 H new ATOM 0 HG3 PRO A 141 -4.639 -13.420 -6.469 1.00 32.41 H new ATOM 0 HD2 PRO A 141 -3.224 -11.170 -5.045 1.00 62.33 H new ATOM 0 HD3 PRO A 141 -4.751 -11.934 -4.651 1.00 62.33 H new ATOM 2112 N ALA A 142 0.108 -14.675 -5.212 1.00 34.53 N ATOM 2113 CA ALA A 142 1.545 -14.636 -5.201 1.00 1.41 C ATOM 2114 C ALA A 142 2.004 -15.009 -6.597 1.00 65.43 C ATOM 2115 O ALA A 142 2.480 -16.123 -6.849 1.00 11.33 O ATOM 2116 CB ALA A 142 2.118 -15.602 -4.169 1.00 24.21 C ATOM 0 H ALA A 142 -0.264 -15.543 -5.597 1.00 34.53 H new ATOM 0 HA ALA A 142 1.897 -13.642 -4.925 1.00 1.41 H new ATOM 0 HB1 ALA A 142 3.207 -15.549 -4.186 1.00 24.21 H new ATOM 0 HB2 ALA A 142 1.757 -15.331 -3.177 1.00 24.21 H new ATOM 0 HB3 ALA A 142 1.801 -16.618 -4.406 1.00 24.21 H new ATOM 2122 N GLU A 143 1.753 -14.115 -7.511 1.00 21.42 N ATOM 2123 CA GLU A 143 2.012 -14.310 -8.893 1.00 1.04 C ATOM 2124 C GLU A 143 3.471 -14.077 -9.213 1.00 11.20 C ATOM 2125 O GLU A 143 4.199 -15.070 -9.419 1.00 36.82 O ATOM 2126 CB GLU A 143 1.126 -13.379 -9.681 1.00 54.14 C ATOM 2127 CG GLU A 143 -0.362 -13.647 -9.505 1.00 25.21 C ATOM 2128 CD GLU A 143 -0.780 -15.013 -9.994 1.00 74.43 C ATOM 2129 OE1 GLU A 143 -0.802 -15.239 -11.229 1.00 5.21 O ATOM 2130 OE2 GLU A 143 -1.142 -15.881 -9.160 1.00 14.10 O ATOM 2131 OXT GLU A 143 3.913 -12.918 -9.210 1.00 36.82 O ATOM 0 H GLU A 143 1.349 -13.203 -7.298 1.00 21.42 H new ATOM 0 HA GLU A 143 1.791 -15.342 -9.165 1.00 1.04 H new ATOM 0 HB2 GLU A 143 1.338 -12.352 -9.383 1.00 54.14 H new ATOM 0 HB3 GLU A 143 1.378 -13.462 -10.738 1.00 54.14 H new ATOM 0 HG2 GLU A 143 -0.620 -13.551 -8.450 1.00 25.21 H new ATOM 0 HG3 GLU A 143 -0.928 -12.886 -10.043 1.00 25.21 H new