USER MOD reduce.3.24.130724 H: found=0, std=0, add=807, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 808 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 44 MET CE :methyl 146:sc= -0.39 (180deg=-2.21) USER MOD Set 1.2: A 57 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 47 LYS NZ :NH3+ 159:sc= 0.786 (180deg=-0.212) USER MOD Set 2.2: A 52 SER OG : rot 110:sc= 1.04 USER MOD Set 3.1: A 39 MET CE :methyl 137:sc= -0.045 (180deg=-0.524) USER MOD Set 3.2: A 61 TYR OH : rot -140:sc= -0.0269 USER MOD Set 4.1: A 31 ASN : amide:sc= 1.25 K(o=2.4,f=-0.83!) USER MOD Set 4.2: A 33 SER OG : rot 118:sc= 1.83 USER MOD Set 4.3: A 37 GLN : amide:sc= -0.649 K(o=2.4,f=3) USER MOD Single : A 14 ASN : amide:sc= -1.98! K(o=-2!,f=-0.1) USER MOD Single : A 16 CYS SG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ -140:sc= 0.0637 (180deg=-0.402) USER MOD Single : A 30 LYS NZ :NH3+ -179:sc= 0.11 (180deg=0.109) USER MOD Single : A 32 THR OG1 : rot -44:sc= 0.801 USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0.0471 USER MOD Single : A 54 SER OG : rot 163:sc= 0.183 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ -164:sc= 0.423 (180deg=0.0426) USER MOD Single : A 58 THR OG1 : rot 180:sc= -0.083 USER MOD Single : A 59 SER OG : rot 9:sc= 0.451 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 GLN : amide:sc= -0.506 X(o=-0.51,f=-0.033) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 82:sc= 1.53 USER MOD Single : A 75 ASN : amide:sc= 0 X(o=0,f=-0.49) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot -140:sc= -0.171 USER MOD Single : A 84 THR OG1 : rot -87:sc= 0.0391 USER MOD Single : A 89 LYS NZ :NH3+ 145:sc= -1.56 (180deg=-3.82!) USER MOD Single : A 90 ASN : amide:sc= -0.98 K(o=-0.98,f=0) USER MOD Single : A 91 GLN : amide:sc= -1.02! C(o=-1!,f=-7!) USER MOD Single : A 92 ASN : amide:sc= -0.268 K(o=-0.27,f=-3.1!) USER MOD Single : A 93 SER OG : rot 35:sc= 0.192 USER MOD Single : A 96 THR OG1 : rot -42:sc= 0.174 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 LYS NZ :NH3+ -130:sc= 1.15 (180deg=0.0427) USER MOD Single : A 106 ASN : amide:sc= -0.887 K(o=-0.89,f=-2.9) USER MOD Single : A 107 SER OG : rot 29:sc= 0.168 USER MOD Single : A 108 GLN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 114 GLN : amide:sc= 0.491 X(o=0.49,f=0) USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD Single : A 117 THR OG1 : rot 81:sc= 0.0624 USER MOD ----------------------------------------------------------------- ATOM 202 N ASN A 14 -9.212 -8.017 4.704 1.00 11.34 N ATOM 203 CA ASN A 14 -8.685 -7.515 5.977 1.00 51.45 C ATOM 204 C ASN A 14 -7.199 -7.153 5.827 1.00 45.20 C ATOM 205 O ASN A 14 -6.320 -7.801 6.404 1.00 53.24 O ATOM 206 CB ASN A 14 -8.888 -8.569 7.080 1.00 34.14 C ATOM 207 CG ASN A 14 -8.759 -8.028 8.504 1.00 53.32 C ATOM 208 OD1 ASN A 14 -9.458 -8.478 9.403 1.00 33.13 O ATOM 209 ND2 ASN A 14 -7.863 -7.087 8.737 1.00 35.10 N ATOM 0 HA ASN A 14 -9.227 -6.613 6.261 1.00 51.45 H new ATOM 0 HB2 ASN A 14 -9.876 -9.015 6.962 1.00 34.14 H new ATOM 0 HB3 ASN A 14 -8.159 -9.368 6.941 1.00 34.14 H new ATOM 0 HD21 ASN A 14 -7.742 -6.720 9.681 1.00 35.10 H new ATOM 0 HD22 ASN A 14 -7.291 -6.727 7.973 1.00 35.10 H new ATOM 216 N VAL A 15 -6.932 -6.120 5.039 1.00 32.03 N ATOM 217 CA VAL A 15 -5.563 -5.663 4.792 1.00 60.20 C ATOM 218 C VAL A 15 -5.205 -4.459 5.680 1.00 4.00 C ATOM 219 O VAL A 15 -5.996 -3.525 5.839 1.00 23.41 O ATOM 220 CB VAL A 15 -5.353 -5.297 3.297 1.00 41.20 C ATOM 221 CG1 VAL A 15 -6.293 -4.176 2.861 1.00 34.32 C ATOM 222 CG2 VAL A 15 -3.895 -4.927 3.026 1.00 74.20 C ATOM 0 H VAL A 15 -7.647 -5.577 4.555 1.00 32.03 H new ATOM 0 HA VAL A 15 -4.899 -6.490 5.045 1.00 60.20 H new ATOM 0 HB VAL A 15 -5.594 -6.178 2.703 1.00 41.20 H new ATOM 0 HG11 VAL A 15 -6.120 -3.944 1.810 1.00 34.32 H new ATOM 0 HG12 VAL A 15 -7.327 -4.494 2.997 1.00 34.32 H new ATOM 0 HG13 VAL A 15 -6.104 -3.288 3.464 1.00 34.32 H new ATOM 0 HG21 VAL A 15 -3.773 -4.675 1.973 1.00 74.20 H new ATOM 0 HG22 VAL A 15 -3.617 -4.069 3.639 1.00 74.20 H new ATOM 0 HG23 VAL A 15 -3.253 -5.773 3.273 1.00 74.20 H new ATOM 232 N CYS A 16 -4.013 -4.497 6.268 1.00 44.24 N ATOM 233 CA CYS A 16 -3.529 -3.413 7.132 1.00 64.32 C ATOM 234 C CYS A 16 -2.133 -2.949 6.697 1.00 23.12 C ATOM 235 O CYS A 16 -1.319 -3.747 6.234 1.00 11.24 O ATOM 236 CB CYS A 16 -3.487 -3.877 8.597 1.00 43.12 C ATOM 237 SG CYS A 16 -5.092 -4.393 9.257 1.00 14.23 S ATOM 0 H CYS A 16 -3.357 -5.271 6.164 1.00 44.24 H new ATOM 0 HA CYS A 16 -4.220 -2.575 7.040 1.00 64.32 H new ATOM 0 HB2 CYS A 16 -2.787 -4.708 8.684 1.00 43.12 H new ATOM 0 HB3 CYS A 16 -3.097 -3.066 9.212 1.00 43.12 H new ATOM 0 HG CYS A 16 -4.952 -4.767 10.494 1.00 14.23 H new ATOM 243 N ILE A 17 -1.865 -1.655 6.839 1.00 73.43 N ATOM 244 CA ILE A 17 -0.548 -1.099 6.511 1.00 55.43 C ATOM 245 C ILE A 17 0.492 -1.512 7.565 1.00 13.11 C ATOM 246 O ILE A 17 0.560 -0.919 8.643 1.00 21.24 O ATOM 247 CB ILE A 17 -0.603 0.449 6.426 1.00 72.43 C ATOM 248 CG1 ILE A 17 -1.713 0.895 5.459 1.00 30.11 C ATOM 249 CG2 ILE A 17 0.751 1.014 5.988 1.00 65.44 C ATOM 250 CD1 ILE A 17 -1.947 2.390 5.441 1.00 22.15 C ATOM 0 H ILE A 17 -2.539 -0.969 7.178 1.00 73.43 H new ATOM 0 HA ILE A 17 -0.256 -1.497 5.539 1.00 55.43 H new ATOM 0 HB ILE A 17 -0.831 0.840 7.418 1.00 72.43 H new ATOM 0 HG12 ILE A 17 -1.458 0.565 4.452 1.00 30.11 H new ATOM 0 HG13 ILE A 17 -2.642 0.395 5.733 1.00 30.11 H new ATOM 0 HG21 ILE A 17 0.692 2.101 5.934 1.00 65.44 H new ATOM 0 HG22 ILE A 17 1.516 0.728 6.710 1.00 65.44 H new ATOM 0 HG23 ILE A 17 1.011 0.616 5.007 1.00 65.44 H new ATOM 0 HD11 ILE A 17 -2.744 2.625 4.735 1.00 22.15 H new ATOM 0 HD12 ILE A 17 -2.234 2.725 6.438 1.00 22.15 H new ATOM 0 HD13 ILE A 17 -1.032 2.898 5.137 1.00 22.15 H new ATOM 262 N GLU A 18 1.285 -2.539 7.257 1.00 60.21 N ATOM 263 CA GLU A 18 2.297 -3.040 8.198 1.00 60.24 C ATOM 264 C GLU A 18 3.343 -1.966 8.513 1.00 51.02 C ATOM 265 O GLU A 18 3.556 -1.606 9.673 1.00 22.10 O ATOM 266 CB GLU A 18 3.018 -4.278 7.639 1.00 74.32 C ATOM 267 CG GLU A 18 4.090 -4.828 8.587 1.00 61.14 C ATOM 268 CD GLU A 18 5.052 -5.801 7.924 1.00 55.41 C ATOM 269 OE1 GLU A 18 6.049 -5.339 7.322 1.00 41.21 O ATOM 270 OE2 GLU A 18 4.835 -7.030 8.025 1.00 24.42 O ATOM 0 H GLU A 18 1.250 -3.040 6.369 1.00 60.21 H new ATOM 0 HA GLU A 18 1.767 -3.311 9.111 1.00 60.24 H new ATOM 0 HB2 GLU A 18 2.284 -5.059 7.438 1.00 74.32 H new ATOM 0 HB3 GLU A 18 3.481 -4.022 6.686 1.00 74.32 H new ATOM 0 HG2 GLU A 18 4.658 -3.995 9.001 1.00 61.14 H new ATOM 0 HG3 GLU A 18 3.601 -5.328 9.423 1.00 61.14 H new ATOM 277 N GLU A 19 3.990 -1.460 7.467 1.00 2.25 N ATOM 278 CA GLU A 19 5.086 -0.506 7.622 1.00 73.50 C ATOM 279 C GLU A 19 5.411 0.201 6.297 1.00 43.24 C ATOM 280 O GLU A 19 5.326 -0.396 5.221 1.00 44.34 O ATOM 281 CB GLU A 19 6.325 -1.245 8.148 1.00 31.22 C ATOM 282 CG GLU A 19 7.582 -0.387 8.260 1.00 20.10 C ATOM 283 CD GLU A 19 8.764 -1.171 8.809 1.00 73.21 C ATOM 284 OE1 GLU A 19 9.175 -2.159 8.165 1.00 23.21 O ATOM 285 OE2 GLU A 19 9.274 -0.814 9.894 1.00 0.13 O ATOM 0 H GLU A 19 3.774 -1.696 6.498 1.00 2.25 H new ATOM 0 HA GLU A 19 4.781 0.261 8.334 1.00 73.50 H new ATOM 0 HB2 GLU A 19 6.095 -1.658 9.130 1.00 31.22 H new ATOM 0 HB3 GLU A 19 6.535 -2.088 7.490 1.00 31.22 H new ATOM 0 HG2 GLU A 19 7.837 0.012 7.278 1.00 20.10 H new ATOM 0 HG3 GLU A 19 7.381 0.466 8.908 1.00 20.10 H new ATOM 292 N ILE A 20 5.765 1.479 6.381 1.00 25.23 N ATOM 293 CA ILE A 20 6.204 2.244 5.212 1.00 63.14 C ATOM 294 C ILE A 20 7.733 2.376 5.217 1.00 31.13 C ATOM 295 O ILE A 20 8.335 2.602 6.268 1.00 44.24 O ATOM 296 CB ILE A 20 5.564 3.654 5.193 1.00 51.41 C ATOM 297 CG1 ILE A 20 4.034 3.549 5.319 1.00 41.34 C ATOM 298 CG2 ILE A 20 5.951 4.398 3.913 1.00 31.34 C ATOM 299 CD1 ILE A 20 3.337 4.887 5.451 1.00 53.02 C ATOM 0 H ILE A 20 5.757 2.012 7.250 1.00 25.23 H new ATOM 0 HA ILE A 20 5.884 1.708 4.319 1.00 63.14 H new ATOM 0 HB ILE A 20 5.941 4.220 6.045 1.00 51.41 H new ATOM 0 HG12 ILE A 20 3.642 3.031 4.444 1.00 41.34 H new ATOM 0 HG13 ILE A 20 3.792 2.937 6.188 1.00 41.34 H new ATOM 0 HG21 ILE A 20 5.493 5.387 3.915 1.00 31.34 H new ATOM 0 HG22 ILE A 20 7.035 4.500 3.865 1.00 31.34 H new ATOM 0 HG23 ILE A 20 5.600 3.838 3.046 1.00 31.34 H new ATOM 0 HD11 ILE A 20 2.262 4.730 5.535 1.00 53.02 H new ATOM 0 HD12 ILE A 20 3.700 5.400 6.342 1.00 53.02 H new ATOM 0 HD13 ILE A 20 3.547 5.495 4.571 1.00 53.02 H new ATOM 311 N ASP A 21 8.355 2.236 4.048 1.00 23.43 N ATOM 312 CA ASP A 21 9.819 2.269 3.943 1.00 52.23 C ATOM 313 C ASP A 21 10.416 3.580 4.494 1.00 30.24 C ATOM 314 O ASP A 21 9.928 4.672 4.197 1.00 0.44 O ATOM 315 CB ASP A 21 10.242 2.071 2.489 1.00 10.22 C ATOM 316 CG ASP A 21 11.742 2.179 2.316 1.00 22.23 C ATOM 317 OD1 ASP A 21 12.466 1.278 2.780 1.00 70.14 O ATOM 318 OD2 ASP A 21 12.199 3.175 1.732 1.00 3.34 O ATOM 0 H ASP A 21 7.873 2.099 3.160 1.00 23.43 H new ATOM 0 HA ASP A 21 10.208 1.454 4.554 1.00 52.23 H new ATOM 0 HB2 ASP A 21 9.907 1.093 2.144 1.00 10.22 H new ATOM 0 HB3 ASP A 21 9.750 2.816 1.863 1.00 10.22 H new ATOM 323 N VAL A 22 11.492 3.454 5.273 1.00 4.52 N ATOM 324 CA VAL A 22 12.126 4.604 5.934 1.00 74.30 C ATOM 325 C VAL A 22 12.837 5.544 4.937 1.00 11.02 C ATOM 326 O VAL A 22 13.000 6.738 5.201 1.00 41.43 O ATOM 327 CB VAL A 22 13.140 4.133 7.009 1.00 50.44 C ATOM 328 CG1 VAL A 22 14.289 3.355 6.371 1.00 53.20 C ATOM 329 CG2 VAL A 22 13.664 5.316 7.826 1.00 14.11 C ATOM 0 H VAL A 22 11.948 2.562 5.464 1.00 4.52 H new ATOM 0 HA VAL A 22 11.321 5.166 6.408 1.00 74.30 H new ATOM 0 HB VAL A 22 12.618 3.462 7.691 1.00 50.44 H new ATOM 0 HG11 VAL A 22 14.986 3.036 7.145 1.00 53.20 H new ATOM 0 HG12 VAL A 22 13.894 2.480 5.855 1.00 53.20 H new ATOM 0 HG13 VAL A 22 14.808 3.994 5.656 1.00 53.20 H new ATOM 0 HG21 VAL A 22 14.373 4.957 8.572 1.00 14.11 H new ATOM 0 HG22 VAL A 22 14.162 6.024 7.163 1.00 14.11 H new ATOM 0 HG23 VAL A 22 12.831 5.811 8.325 1.00 14.11 H new ATOM 339 N ASP A 23 13.262 5.010 3.795 1.00 62.35 N ATOM 340 CA ASP A 23 13.919 5.824 2.765 1.00 4.22 C ATOM 341 C ASP A 23 12.865 6.494 1.858 1.00 42.24 C ATOM 342 O ASP A 23 13.107 7.550 1.266 1.00 13.42 O ATOM 343 CB ASP A 23 14.880 4.950 1.945 1.00 55.15 C ATOM 344 CG ASP A 23 15.860 5.763 1.114 1.00 45.22 C ATOM 345 OD1 ASP A 23 16.831 6.300 1.691 1.00 54.13 O ATOM 346 OD2 ASP A 23 15.684 5.854 -0.119 1.00 53.31 O ATOM 0 H ASP A 23 13.166 4.023 3.556 1.00 62.35 H new ATOM 0 HA ASP A 23 14.497 6.613 3.246 1.00 4.22 H new ATOM 0 HB2 ASP A 23 15.437 4.300 2.620 1.00 55.15 H new ATOM 0 HB3 ASP A 23 14.301 4.304 1.285 1.00 55.15 H new ATOM 351 N GLY A 24 11.687 5.879 1.774 1.00 24.41 N ATOM 352 CA GLY A 24 10.597 6.419 0.967 1.00 20.30 C ATOM 353 C GLY A 24 10.472 5.741 -0.393 1.00 40.04 C ATOM 354 O GLY A 24 10.052 6.368 -1.368 1.00 0.02 O ATOM 0 H GLY A 24 11.464 5.007 2.255 1.00 24.41 H new ATOM 0 HA2 GLY A 24 9.659 6.306 1.511 1.00 20.30 H new ATOM 0 HA3 GLY A 24 10.755 7.488 0.821 1.00 20.30 H new ATOM 358 N LYS A 25 10.837 4.463 -0.452 1.00 72.30 N ATOM 359 CA LYS A 25 10.797 3.689 -1.698 1.00 74.41 C ATOM 360 C LYS A 25 9.451 2.979 -1.903 1.00 15.04 C ATOM 361 O LYS A 25 8.889 3.001 -2.999 1.00 24.51 O ATOM 362 CB LYS A 25 11.910 2.634 -1.694 1.00 21.15 C ATOM 363 CG LYS A 25 13.303 3.202 -1.469 1.00 31.33 C ATOM 364 CD LYS A 25 14.361 2.105 -1.461 1.00 34.01 C ATOM 365 CE LYS A 25 15.761 2.677 -1.284 1.00 40.32 C ATOM 366 NZ LYS A 25 16.082 3.687 -2.328 1.00 61.00 N ATOM 0 H LYS A 25 11.167 3.934 0.355 1.00 72.30 H new ATOM 0 HA LYS A 25 10.937 4.397 -2.515 1.00 74.41 H new ATOM 0 HB2 LYS A 25 11.698 1.901 -0.916 1.00 21.15 H new ATOM 0 HB3 LYS A 25 11.895 2.102 -2.645 1.00 21.15 H new ATOM 0 HG2 LYS A 25 13.533 3.924 -2.252 1.00 31.33 H new ATOM 0 HG3 LYS A 25 13.329 3.740 -0.521 1.00 31.33 H new ATOM 0 HD2 LYS A 25 14.150 1.402 -0.655 1.00 34.01 H new ATOM 0 HD3 LYS A 25 14.312 1.545 -2.395 1.00 34.01 H new ATOM 0 HE2 LYS A 25 15.845 3.134 -0.298 1.00 40.32 H new ATOM 0 HE3 LYS A 25 16.491 1.869 -1.324 1.00 40.32 H new ATOM 0 HZ1 LYS A 25 17.068 3.567 -2.635 1.00 61.00 H new ATOM 0 HZ2 LYS A 25 15.448 3.558 -3.142 1.00 61.00 H new ATOM 0 HZ3 LYS A 25 15.955 4.642 -1.937 1.00 61.00 H new ATOM 380 N PHE A 26 8.940 2.335 -0.850 1.00 43.14 N ATOM 381 CA PHE A 26 7.768 1.460 -0.989 1.00 72.44 C ATOM 382 C PHE A 26 6.798 1.533 0.204 1.00 33.14 C ATOM 383 O PHE A 26 7.149 1.982 1.297 1.00 50.21 O ATOM 384 CB PHE A 26 8.228 0.006 -1.193 1.00 64.42 C ATOM 385 CG PHE A 26 9.059 -0.557 -0.057 1.00 41.11 C ATOM 386 CD1 PHE A 26 8.453 -1.069 1.087 1.00 34.03 C ATOM 387 CD2 PHE A 26 10.445 -0.583 -0.139 1.00 74.11 C ATOM 388 CE1 PHE A 26 9.212 -1.591 2.117 1.00 44.31 C ATOM 389 CE2 PHE A 26 11.206 -1.108 0.889 1.00 1.42 C ATOM 390 CZ PHE A 26 10.589 -1.611 2.018 1.00 52.13 C ATOM 0 H PHE A 26 9.312 2.400 0.097 1.00 43.14 H new ATOM 0 HA PHE A 26 7.217 1.817 -1.859 1.00 72.44 H new ATOM 0 HB2 PHE A 26 7.349 -0.624 -1.330 1.00 64.42 H new ATOM 0 HB3 PHE A 26 8.808 -0.052 -2.114 1.00 64.42 H new ATOM 0 HD1 PHE A 26 7.376 -1.058 1.171 1.00 34.03 H new ATOM 0 HD2 PHE A 26 10.935 -0.188 -1.017 1.00 74.11 H new ATOM 0 HE1 PHE A 26 8.728 -1.983 2.999 1.00 44.31 H new ATOM 0 HE2 PHE A 26 12.283 -1.125 0.809 1.00 1.42 H new ATOM 0 HZ PHE A 26 11.183 -2.019 2.822 1.00 52.13 H new ATOM 400 N ILE A 27 5.567 1.077 -0.039 1.00 52.20 N ATOM 401 CA ILE A 27 4.538 0.939 1.001 1.00 33.31 C ATOM 402 C ILE A 27 4.140 -0.540 1.152 1.00 62.24 C ATOM 403 O ILE A 27 3.738 -1.174 0.179 1.00 20.23 O ATOM 404 CB ILE A 27 3.270 1.759 0.642 1.00 11.12 C ATOM 405 CG1 ILE A 27 3.633 3.228 0.377 1.00 70.14 C ATOM 406 CG2 ILE A 27 2.228 1.655 1.754 1.00 71.13 C ATOM 407 CD1 ILE A 27 2.481 4.064 -0.145 1.00 23.25 C ATOM 0 H ILE A 27 5.252 0.791 -0.966 1.00 52.20 H new ATOM 0 HA ILE A 27 4.955 1.315 1.935 1.00 33.31 H new ATOM 0 HB ILE A 27 2.840 1.342 -0.269 1.00 11.12 H new ATOM 0 HG12 ILE A 27 4.001 3.673 1.301 1.00 70.14 H new ATOM 0 HG13 ILE A 27 4.451 3.265 -0.343 1.00 70.14 H new ATOM 0 HG21 ILE A 27 1.347 2.237 1.483 1.00 71.13 H new ATOM 0 HG22 ILE A 27 1.945 0.611 1.891 1.00 71.13 H new ATOM 0 HG23 ILE A 27 2.647 2.043 2.683 1.00 71.13 H new ATOM 0 HD11 ILE A 27 2.818 5.088 -0.307 1.00 23.25 H new ATOM 0 HD12 ILE A 27 2.126 3.646 -1.087 1.00 23.25 H new ATOM 0 HD13 ILE A 27 1.670 4.060 0.583 1.00 23.25 H new ATOM 419 N ARG A 28 4.252 -1.095 2.357 1.00 3.24 N ATOM 420 CA ARG A 28 3.963 -2.520 2.562 1.00 4.32 C ATOM 421 C ARG A 28 2.601 -2.757 3.242 1.00 75.40 C ATOM 422 O ARG A 28 2.412 -2.460 4.426 1.00 4.15 O ATOM 423 CB ARG A 28 5.090 -3.188 3.361 1.00 63.25 C ATOM 424 CG ARG A 28 4.826 -4.659 3.684 1.00 34.13 C ATOM 425 CD ARG A 28 6.121 -5.435 3.897 1.00 41.00 C ATOM 426 NE ARG A 28 6.887 -5.547 2.657 1.00 2.23 N ATOM 427 CZ ARG A 28 8.074 -6.075 2.563 1.00 43.22 C ATOM 428 NH1 ARG A 28 8.688 -6.528 3.609 1.00 4.44 N ATOM 429 NH2 ARG A 28 8.641 -6.154 1.404 1.00 41.21 N ATOM 0 H ARG A 28 4.536 -0.592 3.198 1.00 3.24 H new ATOM 0 HA ARG A 28 3.906 -2.978 1.574 1.00 4.32 H new ATOM 0 HB2 ARG A 28 6.019 -3.110 2.796 1.00 63.25 H new ATOM 0 HB3 ARG A 28 5.236 -2.641 4.293 1.00 63.25 H new ATOM 0 HG2 ARG A 28 4.209 -4.729 4.580 1.00 34.13 H new ATOM 0 HG3 ARG A 28 4.260 -5.113 2.871 1.00 34.13 H new ATOM 0 HD2 ARG A 28 6.725 -4.937 4.655 1.00 41.00 H new ATOM 0 HD3 ARG A 28 5.892 -6.431 4.276 1.00 41.00 H new ATOM 0 HE ARG A 28 6.461 -5.185 1.804 1.00 2.23 H new ATOM 0 HH11 ARG A 28 8.242 -6.475 4.525 1.00 4.44 H new ATOM 0 HH12 ARG A 28 9.617 -6.938 3.517 1.00 4.44 H new ATOM 0 HH21 ARG A 28 8.159 -5.805 0.576 1.00 41.21 H new ATOM 0 HH22 ARG A 28 9.570 -6.565 1.318 1.00 41.21 H new ATOM 443 N LEU A 29 1.660 -3.295 2.468 1.00 51.22 N ATOM 444 CA LEU A 29 0.349 -3.697 2.985 1.00 75.22 C ATOM 445 C LEU A 29 0.392 -5.159 3.466 1.00 70.31 C ATOM 446 O LEU A 29 1.223 -5.947 3.010 1.00 43.34 O ATOM 447 CB LEU A 29 -0.737 -3.529 1.905 1.00 53.23 C ATOM 448 CG LEU A 29 -1.040 -2.080 1.460 1.00 21.34 C ATOM 449 CD1 LEU A 29 0.140 -1.466 0.709 1.00 50.13 C ATOM 450 CD2 LEU A 29 -2.305 -2.034 0.604 1.00 72.43 C ATOM 0 H LEU A 29 1.782 -3.465 1.470 1.00 51.22 H new ATOM 0 HA LEU A 29 0.101 -3.053 3.829 1.00 75.22 H new ATOM 0 HB2 LEU A 29 -0.438 -4.101 1.027 1.00 53.23 H new ATOM 0 HB3 LEU A 29 -1.661 -3.973 2.276 1.00 53.23 H new ATOM 0 HG LEU A 29 -1.205 -1.486 2.359 1.00 21.34 H new ATOM 0 HD11 LEU A 29 -0.108 -0.447 0.411 1.00 50.13 H new ATOM 0 HD12 LEU A 29 1.016 -1.451 1.357 1.00 50.13 H new ATOM 0 HD13 LEU A 29 0.356 -2.061 -0.179 1.00 50.13 H new ATOM 0 HD21 LEU A 29 -2.502 -1.006 0.300 1.00 72.43 H new ATOM 0 HD22 LEU A 29 -2.168 -2.654 -0.282 1.00 72.43 H new ATOM 0 HD23 LEU A 29 -3.149 -2.410 1.182 1.00 72.43 H new ATOM 462 N LYS A 30 -0.507 -5.526 4.375 1.00 30.34 N ATOM 463 CA LYS A 30 -0.463 -6.853 5.005 1.00 4.01 C ATOM 464 C LYS A 30 -1.874 -7.420 5.248 1.00 44.11 C ATOM 465 O LYS A 30 -2.618 -6.916 6.089 1.00 30.31 O ATOM 466 CB LYS A 30 0.298 -6.734 6.330 1.00 22.14 C ATOM 467 CG LYS A 30 0.648 -8.059 6.994 1.00 13.52 C ATOM 468 CD LYS A 30 1.528 -7.825 8.218 1.00 22.23 C ATOM 469 CE LYS A 30 2.097 -9.119 8.779 1.00 55.22 C ATOM 470 NZ LYS A 30 3.035 -8.859 9.901 1.00 61.00 N ATOM 0 H LYS A 30 -1.272 -4.932 4.694 1.00 30.34 H new ATOM 0 HA LYS A 30 0.045 -7.545 4.334 1.00 4.01 H new ATOM 0 HB2 LYS A 30 1.219 -6.179 6.154 1.00 22.14 H new ATOM 0 HB3 LYS A 30 -0.301 -6.145 7.024 1.00 22.14 H new ATOM 0 HG2 LYS A 30 -0.264 -8.578 7.288 1.00 13.52 H new ATOM 0 HG3 LYS A 30 1.166 -8.703 6.284 1.00 13.52 H new ATOM 0 HD2 LYS A 30 2.347 -7.157 7.951 1.00 22.23 H new ATOM 0 HD3 LYS A 30 0.945 -7.323 8.990 1.00 22.23 H new ATOM 0 HE2 LYS A 30 1.283 -9.756 9.124 1.00 55.22 H new ATOM 0 HE3 LYS A 30 2.615 -9.663 7.989 1.00 55.22 H new ATOM 0 HZ1 LYS A 30 3.418 -9.761 10.249 1.00 61.00 H new ATOM 0 HZ2 LYS A 30 3.815 -8.257 9.569 1.00 61.00 H new ATOM 0 HZ3 LYS A 30 2.529 -8.377 10.671 1.00 61.00 H new ATOM 484 N ASN A 31 -2.239 -8.470 4.509 1.00 45.14 N ATOM 485 CA ASN A 31 -3.563 -9.094 4.653 1.00 64.02 C ATOM 486 C ASN A 31 -3.566 -10.166 5.755 1.00 60.31 C ATOM 487 O ASN A 31 -3.037 -11.265 5.574 1.00 40.33 O ATOM 488 CB ASN A 31 -4.018 -9.702 3.320 1.00 2.31 C ATOM 489 CG ASN A 31 -5.366 -10.399 3.430 1.00 11.23 C ATOM 490 OD1 ASN A 31 -6.414 -9.775 3.306 1.00 43.13 O ATOM 491 ND2 ASN A 31 -5.348 -11.698 3.653 1.00 63.54 N ATOM 0 H ASN A 31 -1.642 -8.907 3.807 1.00 45.14 H new ATOM 0 HA ASN A 31 -4.265 -8.313 4.945 1.00 64.02 H new ATOM 0 HB2 ASN A 31 -4.079 -8.916 2.567 1.00 2.31 H new ATOM 0 HB3 ASN A 31 -3.270 -10.416 2.975 1.00 2.31 H new ATOM 0 HD21 ASN A 31 -6.224 -12.215 3.727 1.00 63.54 H new ATOM 0 HD22 ASN A 31 -4.458 -12.186 3.751 1.00 63.54 H new ATOM 498 N THR A 32 -4.179 -9.840 6.891 1.00 12.05 N ATOM 499 CA THR A 32 -4.227 -10.750 8.050 1.00 12.40 C ATOM 500 C THR A 32 -5.647 -11.309 8.268 1.00 20.42 C ATOM 501 O THR A 32 -6.115 -11.449 9.399 1.00 5.45 O ATOM 502 CB THR A 32 -3.737 -10.029 9.338 1.00 2.22 C ATOM 503 OG1 THR A 32 -3.735 -10.932 10.459 1.00 54.32 O ATOM 504 CG2 THR A 32 -4.597 -8.805 9.658 1.00 72.23 C ATOM 0 H THR A 32 -4.654 -8.950 7.041 1.00 12.05 H new ATOM 0 HA THR A 32 -3.560 -11.585 7.837 1.00 12.40 H new ATOM 0 HB THR A 32 -2.718 -9.691 9.152 1.00 2.22 H new ATOM 0 HG1 THR A 32 -4.564 -11.454 10.460 1.00 54.32 H new ATOM 0 HG21 THR A 32 -4.226 -8.326 10.564 1.00 72.23 H new ATOM 0 HG22 THR A 32 -4.548 -8.099 8.829 1.00 72.23 H new ATOM 0 HG23 THR A 32 -5.631 -9.116 9.810 1.00 72.23 H new ATOM 512 N SER A 33 -6.317 -11.655 7.174 1.00 14.33 N ATOM 513 CA SER A 33 -7.701 -12.153 7.227 1.00 61.12 C ATOM 514 C SER A 33 -7.776 -13.657 7.536 1.00 44.31 C ATOM 515 O SER A 33 -6.758 -14.342 7.647 1.00 34.33 O ATOM 516 CB SER A 33 -8.405 -11.887 5.894 1.00 34.11 C ATOM 517 OG SER A 33 -7.737 -12.544 4.830 1.00 62.30 O ATOM 0 H SER A 33 -5.928 -11.602 6.232 1.00 14.33 H new ATOM 0 HA SER A 33 -8.196 -11.618 8.037 1.00 61.12 H new ATOM 0 HB2 SER A 33 -9.438 -12.231 5.948 1.00 34.11 H new ATOM 0 HB3 SER A 33 -8.436 -10.814 5.702 1.00 34.11 H new ATOM 0 HG SER A 33 -8.340 -13.200 4.421 1.00 62.30 H new ATOM 523 N GLU A 34 -9.004 -14.161 7.670 1.00 14.44 N ATOM 524 CA GLU A 34 -9.246 -15.592 7.907 1.00 64.30 C ATOM 525 C GLU A 34 -9.395 -16.376 6.590 1.00 53.03 C ATOM 526 O GLU A 34 -9.464 -17.606 6.595 1.00 65.54 O ATOM 527 CB GLU A 34 -10.524 -15.768 8.731 1.00 11.23 C ATOM 528 CG GLU A 34 -10.503 -15.069 10.081 1.00 41.21 C ATOM 529 CD GLU A 34 -11.842 -15.168 10.789 1.00 50.04 C ATOM 530 OE1 GLU A 34 -12.126 -16.228 11.385 1.00 33.31 O ATOM 531 OE2 GLU A 34 -12.627 -14.197 10.726 1.00 3.44 O ATOM 0 H GLU A 34 -9.853 -13.598 7.619 1.00 14.44 H new ATOM 0 HA GLU A 34 -8.383 -15.985 8.445 1.00 64.30 H new ATOM 0 HB2 GLU A 34 -11.368 -15.391 8.154 1.00 11.23 H new ATOM 0 HB3 GLU A 34 -10.696 -16.833 8.890 1.00 11.23 H new ATOM 0 HG2 GLU A 34 -9.728 -15.511 10.707 1.00 41.21 H new ATOM 0 HG3 GLU A 34 -10.242 -14.020 9.943 1.00 41.21 H new ATOM 538 N GLN A 35 -9.442 -15.664 5.468 1.00 62.42 N ATOM 539 CA GLN A 35 -9.730 -16.281 4.167 1.00 31.50 C ATOM 540 C GLN A 35 -9.028 -15.530 3.025 1.00 33.53 C ATOM 541 O GLN A 35 -8.688 -14.355 3.158 1.00 71.41 O ATOM 542 CB GLN A 35 -11.254 -16.295 3.946 1.00 73.30 C ATOM 543 CG GLN A 35 -11.707 -16.941 2.641 1.00 71.24 C ATOM 544 CD GLN A 35 -13.220 -16.962 2.507 1.00 24.44 C ATOM 545 OE1 GLN A 35 -13.825 -16.029 1.986 1.00 21.22 O ATOM 546 NE2 GLN A 35 -13.846 -18.016 2.987 1.00 54.31 N ATOM 0 H GLN A 35 -9.285 -14.657 5.428 1.00 62.42 H new ATOM 0 HA GLN A 35 -9.348 -17.302 4.168 1.00 31.50 H new ATOM 0 HB2 GLN A 35 -11.722 -16.822 4.777 1.00 73.30 H new ATOM 0 HB3 GLN A 35 -11.620 -15.269 3.973 1.00 73.30 H new ATOM 0 HG2 GLN A 35 -11.277 -16.397 1.800 1.00 71.24 H new ATOM 0 HG3 GLN A 35 -11.325 -17.961 2.590 1.00 71.24 H new ATOM 0 HE21 GLN A 35 -13.314 -18.775 3.414 1.00 54.31 H new ATOM 0 HE22 GLN A 35 -14.863 -18.074 2.932 1.00 54.31 H new ATOM 555 N ASP A 36 -8.801 -16.222 1.912 1.00 63.05 N ATOM 556 CA ASP A 36 -8.156 -15.630 0.736 1.00 21.32 C ATOM 557 C ASP A 36 -9.008 -14.484 0.148 1.00 53.24 C ATOM 558 O ASP A 36 -10.083 -14.714 -0.407 1.00 24.41 O ATOM 559 CB ASP A 36 -7.925 -16.722 -0.314 1.00 24.53 C ATOM 560 CG ASP A 36 -7.199 -17.923 0.264 1.00 12.44 C ATOM 561 OD1 ASP A 36 -7.828 -18.690 1.027 1.00 32.22 O ATOM 562 OD2 ASP A 36 -6.001 -18.111 -0.038 1.00 53.43 O ATOM 0 H ASP A 36 -9.056 -17.203 1.796 1.00 63.05 H new ATOM 0 HA ASP A 36 -7.199 -15.204 1.036 1.00 21.32 H new ATOM 0 HB2 ASP A 36 -8.884 -17.040 -0.723 1.00 24.53 H new ATOM 0 HB3 ASP A 36 -7.346 -16.312 -1.142 1.00 24.53 H new ATOM 567 N GLN A 37 -8.517 -13.252 0.279 1.00 1.13 N ATOM 568 CA GLN A 37 -9.272 -12.058 -0.126 1.00 50.23 C ATOM 569 C GLN A 37 -8.949 -11.615 -1.567 1.00 31.11 C ATOM 570 O GLN A 37 -7.784 -11.448 -1.933 1.00 2.31 O ATOM 571 CB GLN A 37 -8.962 -10.906 0.836 1.00 22.54 C ATOM 572 CG GLN A 37 -9.219 -11.234 2.307 1.00 60.24 C ATOM 573 CD GLN A 37 -10.673 -11.570 2.617 1.00 52.33 C ATOM 574 OE1 GLN A 37 -10.960 -12.348 3.519 1.00 20.12 O ATOM 575 NE2 GLN A 37 -11.604 -10.971 1.894 1.00 3.42 N ATOM 0 H GLN A 37 -7.594 -13.050 0.664 1.00 1.13 H new ATOM 0 HA GLN A 37 -10.330 -12.317 -0.090 1.00 50.23 H new ATOM 0 HB2 GLN A 37 -7.918 -10.618 0.716 1.00 22.54 H new ATOM 0 HB3 GLN A 37 -9.565 -10.042 0.557 1.00 22.54 H new ATOM 0 HG2 GLN A 37 -8.591 -12.077 2.597 1.00 60.24 H new ATOM 0 HG3 GLN A 37 -8.914 -10.384 2.918 1.00 60.24 H new ATOM 0 HE21 GLN A 37 -11.336 -10.328 1.149 1.00 3.42 H new ATOM 0 HE22 GLN A 37 -12.590 -11.152 2.081 1.00 3.42 H new ATOM 584 N PRO A 38 -9.984 -11.405 -2.406 1.00 44.41 N ATOM 585 CA PRO A 38 -9.801 -10.885 -3.767 1.00 2.45 C ATOM 586 C PRO A 38 -9.618 -9.354 -3.800 1.00 22.31 C ATOM 587 O PRO A 38 -10.494 -8.601 -3.371 1.00 74.42 O ATOM 588 CB PRO A 38 -11.098 -11.303 -4.466 1.00 0.32 C ATOM 589 CG PRO A 38 -12.128 -11.310 -3.382 1.00 63.01 C ATOM 590 CD PRO A 38 -11.408 -11.666 -2.102 1.00 45.01 C ATOM 0 HA PRO A 38 -8.899 -11.272 -4.242 1.00 2.45 H new ATOM 0 HB2 PRO A 38 -11.363 -10.604 -5.260 1.00 0.32 H new ATOM 0 HB3 PRO A 38 -11.001 -12.286 -4.926 1.00 0.32 H new ATOM 0 HG2 PRO A 38 -12.608 -10.335 -3.298 1.00 63.01 H new ATOM 0 HG3 PRO A 38 -12.913 -12.034 -3.599 1.00 63.01 H new ATOM 0 HD2 PRO A 38 -11.755 -11.058 -1.267 1.00 45.01 H new ATOM 0 HD3 PRO A 38 -11.573 -12.708 -1.828 1.00 45.01 H new ATOM 598 N MET A 39 -8.466 -8.904 -4.303 1.00 11.24 N ATOM 599 CA MET A 39 -8.168 -7.468 -4.413 1.00 55.43 C ATOM 600 C MET A 39 -9.152 -6.744 -5.349 1.00 74.44 C ATOM 601 O MET A 39 -9.761 -5.743 -4.976 1.00 33.41 O ATOM 602 CB MET A 39 -6.726 -7.273 -4.910 1.00 14.54 C ATOM 603 CG MET A 39 -6.379 -5.834 -5.280 1.00 15.50 C ATOM 604 SD MET A 39 -6.623 -4.672 -3.921 1.00 62.35 S ATOM 605 CE MET A 39 -5.431 -5.272 -2.728 1.00 30.12 C ATOM 0 H MET A 39 -7.721 -9.512 -4.642 1.00 11.24 H new ATOM 0 HA MET A 39 -8.279 -7.029 -3.421 1.00 55.43 H new ATOM 0 HB2 MET A 39 -6.038 -7.613 -4.136 1.00 14.54 H new ATOM 0 HB3 MET A 39 -6.565 -7.909 -5.781 1.00 14.54 H new ATOM 0 HG2 MET A 39 -5.340 -5.790 -5.605 1.00 15.50 H new ATOM 0 HG3 MET A 39 -6.991 -5.526 -6.127 1.00 15.50 H new ATOM 0 HE1 MET A 39 -4.905 -4.427 -2.283 1.00 30.12 H new ATOM 0 HE2 MET A 39 -5.947 -5.831 -1.947 1.00 30.12 H new ATOM 0 HE3 MET A 39 -4.714 -5.924 -3.227 1.00 30.12 H new ATOM 615 N GLY A 40 -9.298 -7.258 -6.567 1.00 75.23 N ATOM 616 CA GLY A 40 -10.173 -6.622 -7.544 1.00 4.22 C ATOM 617 C GLY A 40 -9.577 -5.351 -8.138 1.00 53.44 C ATOM 618 O GLY A 40 -9.004 -5.379 -9.231 1.00 33.22 O ATOM 0 H GLY A 40 -8.829 -8.101 -6.897 1.00 75.23 H new ATOM 0 HA2 GLY A 40 -10.385 -7.327 -8.347 1.00 4.22 H new ATOM 0 HA3 GLY A 40 -11.125 -6.383 -7.070 1.00 4.22 H new ATOM 622 N GLY A 41 -9.707 -4.236 -7.421 1.00 52.02 N ATOM 623 CA GLY A 41 -9.182 -2.967 -7.914 1.00 0.03 C ATOM 624 C GLY A 41 -9.311 -1.819 -6.912 1.00 11.35 C ATOM 625 O GLY A 41 -9.948 -0.804 -7.202 1.00 2.03 O ATOM 0 H GLY A 41 -10.164 -4.186 -6.511 1.00 52.02 H new ATOM 0 HA2 GLY A 41 -8.131 -3.095 -8.174 1.00 0.03 H new ATOM 0 HA3 GLY A 41 -9.707 -2.698 -8.831 1.00 0.03 H new ATOM 629 N TRP A 42 -8.700 -1.975 -5.738 1.00 44.02 N ATOM 630 CA TRP A 42 -8.681 -0.915 -4.715 1.00 54.14 C ATOM 631 C TRP A 42 -7.962 0.353 -5.204 1.00 71.32 C ATOM 632 O TRP A 42 -7.308 0.356 -6.251 1.00 53.20 O ATOM 633 CB TRP A 42 -7.981 -1.419 -3.445 1.00 53.54 C ATOM 634 CG TRP A 42 -8.805 -2.355 -2.610 1.00 33.25 C ATOM 635 CD1 TRP A 42 -9.641 -3.344 -3.046 1.00 14.33 C ATOM 636 CD2 TRP A 42 -8.859 -2.387 -1.181 1.00 40.44 C ATOM 637 NE1 TRP A 42 -10.213 -3.981 -1.974 1.00 51.24 N ATOM 638 CE2 TRP A 42 -9.746 -3.413 -0.818 1.00 31.44 C ATOM 639 CE3 TRP A 42 -8.239 -1.641 -0.172 1.00 25.44 C ATOM 640 CZ2 TRP A 42 -10.028 -3.713 0.512 1.00 71.51 C ATOM 641 CZ3 TRP A 42 -8.522 -1.941 1.145 1.00 74.42 C ATOM 642 CH2 TRP A 42 -9.410 -2.970 1.477 1.00 61.03 C ATOM 0 H TRP A 42 -8.208 -2.826 -5.466 1.00 44.02 H new ATOM 0 HA TRP A 42 -9.720 -0.661 -4.504 1.00 54.14 H new ATOM 0 HB2 TRP A 42 -7.058 -1.924 -3.730 1.00 53.54 H new ATOM 0 HB3 TRP A 42 -7.700 -0.560 -2.835 1.00 53.54 H new ATOM 0 HD1 TRP A 42 -9.824 -3.588 -4.082 1.00 14.33 H new ATOM 0 HE1 TRP A 42 -10.878 -4.752 -2.029 1.00 51.24 H new ATOM 0 HE3 TRP A 42 -7.552 -0.845 -0.419 1.00 25.44 H new ATOM 0 HZ2 TRP A 42 -10.713 -4.507 0.772 1.00 71.51 H new ATOM 0 HZ3 TRP A 42 -8.050 -1.372 1.932 1.00 74.42 H new ATOM 0 HH2 TRP A 42 -9.611 -3.181 2.517 1.00 61.03 H new ATOM 653 N GLU A 43 -8.075 1.427 -4.425 1.00 51.13 N ATOM 654 CA GLU A 43 -7.349 2.667 -4.708 1.00 63.33 C ATOM 655 C GLU A 43 -6.623 3.173 -3.452 1.00 50.55 C ATOM 656 O GLU A 43 -7.251 3.546 -2.458 1.00 11.23 O ATOM 657 CB GLU A 43 -8.295 3.751 -5.243 1.00 2.15 C ATOM 658 CG GLU A 43 -7.561 4.983 -5.771 1.00 75.40 C ATOM 659 CD GLU A 43 -8.496 6.070 -6.277 1.00 41.41 C ATOM 660 OE1 GLU A 43 -9.327 5.783 -7.161 1.00 15.20 O ATOM 661 OE2 GLU A 43 -8.385 7.226 -5.815 1.00 72.25 O ATOM 0 H GLU A 43 -8.662 1.465 -3.592 1.00 51.13 H new ATOM 0 HA GLU A 43 -6.607 2.448 -5.476 1.00 63.33 H new ATOM 0 HB2 GLU A 43 -8.905 3.330 -6.042 1.00 2.15 H new ATOM 0 HB3 GLU A 43 -8.976 4.055 -4.448 1.00 2.15 H new ATOM 0 HG2 GLU A 43 -6.935 5.392 -4.978 1.00 75.40 H new ATOM 0 HG3 GLU A 43 -6.895 4.682 -6.579 1.00 75.40 H new ATOM 668 N MET A 44 -5.295 3.166 -3.503 1.00 11.45 N ATOM 669 CA MET A 44 -4.466 3.635 -2.389 1.00 31.51 C ATOM 670 C MET A 44 -4.052 5.104 -2.584 1.00 35.42 C ATOM 671 O MET A 44 -3.295 5.428 -3.500 1.00 54.15 O ATOM 672 CB MET A 44 -3.217 2.752 -2.259 1.00 53.14 C ATOM 673 CG MET A 44 -2.265 3.187 -1.153 1.00 12.32 C ATOM 674 SD MET A 44 -0.797 2.146 -1.042 1.00 75.20 S ATOM 675 CE MET A 44 -0.109 2.359 -2.683 1.00 3.44 C ATOM 0 H MET A 44 -4.763 2.839 -4.309 1.00 11.45 H new ATOM 0 HA MET A 44 -5.055 3.567 -1.475 1.00 31.51 H new ATOM 0 HB2 MET A 44 -3.529 1.724 -2.073 1.00 53.14 H new ATOM 0 HB3 MET A 44 -2.681 2.756 -3.208 1.00 53.14 H new ATOM 0 HG2 MET A 44 -1.960 4.219 -1.328 1.00 12.32 H new ATOM 0 HG3 MET A 44 -2.791 3.167 -0.199 1.00 12.32 H new ATOM 0 HE1 MET A 44 0.979 2.332 -2.628 1.00 3.44 H new ATOM 0 HE2 MET A 44 -0.459 1.556 -3.331 1.00 3.44 H new ATOM 0 HE3 MET A 44 -0.428 3.319 -3.090 1.00 3.44 H new ATOM 685 N ILE A 45 -4.553 5.988 -1.724 1.00 42.31 N ATOM 686 CA ILE A 45 -4.211 7.414 -1.794 1.00 21.24 C ATOM 687 C ILE A 45 -2.976 7.718 -0.931 1.00 24.31 C ATOM 688 O ILE A 45 -3.039 7.669 0.297 1.00 32.21 O ATOM 689 CB ILE A 45 -5.390 8.325 -1.333 1.00 2.10 C ATOM 690 CG1 ILE A 45 -6.607 8.202 -2.278 1.00 25.41 C ATOM 691 CG2 ILE A 45 -4.938 9.785 -1.240 1.00 23.04 C ATOM 692 CD1 ILE A 45 -7.299 6.853 -2.244 1.00 3.43 C ATOM 0 H ILE A 45 -5.196 5.746 -0.970 1.00 42.31 H new ATOM 0 HA ILE A 45 -3.997 7.633 -2.840 1.00 21.24 H new ATOM 0 HB ILE A 45 -5.698 7.986 -0.344 1.00 2.10 H new ATOM 0 HG12 ILE A 45 -7.331 8.974 -2.018 1.00 25.41 H new ATOM 0 HG13 ILE A 45 -6.280 8.402 -3.298 1.00 25.41 H new ATOM 0 HG21 ILE A 45 -5.774 10.405 -0.917 1.00 23.04 H new ATOM 0 HG22 ILE A 45 -4.125 9.869 -0.519 1.00 23.04 H new ATOM 0 HG23 ILE A 45 -4.593 10.122 -2.217 1.00 23.04 H new ATOM 0 HD11 ILE A 45 -8.140 6.858 -2.937 1.00 3.43 H new ATOM 0 HD12 ILE A 45 -6.593 6.075 -2.535 1.00 3.43 H new ATOM 0 HD13 ILE A 45 -7.661 6.655 -1.235 1.00 3.43 H new ATOM 704 N ARG A 46 -1.852 8.023 -1.576 1.00 25.00 N ATOM 705 CA ARG A 46 -0.612 8.327 -0.857 1.00 63.02 C ATOM 706 C ARG A 46 -0.419 9.842 -0.679 1.00 14.11 C ATOM 707 O ARG A 46 -0.070 10.557 -1.625 1.00 63.30 O ATOM 708 CB ARG A 46 0.606 7.741 -1.588 1.00 31.33 C ATOM 709 CG ARG A 46 1.900 7.862 -0.784 1.00 33.23 C ATOM 710 CD ARG A 46 3.142 7.499 -1.598 1.00 62.41 C ATOM 711 NE ARG A 46 3.396 8.444 -2.685 1.00 65.45 N ATOM 712 CZ ARG A 46 3.761 9.691 -2.521 1.00 34.21 C ATOM 713 NH1 ARG A 46 3.909 10.195 -1.333 1.00 75.23 N ATOM 714 NH2 ARG A 46 3.986 10.432 -3.553 1.00 1.44 N ATOM 0 H ARG A 46 -1.772 8.067 -2.592 1.00 25.00 H new ATOM 0 HA ARG A 46 -0.695 7.868 0.128 1.00 63.02 H new ATOM 0 HB2 ARG A 46 0.419 6.690 -1.809 1.00 31.33 H new ATOM 0 HB3 ARG A 46 0.729 8.251 -2.543 1.00 31.33 H new ATOM 0 HG2 ARG A 46 1.999 8.883 -0.416 1.00 33.23 H new ATOM 0 HG3 ARG A 46 1.841 7.212 0.089 1.00 33.23 H new ATOM 0 HD2 ARG A 46 4.009 7.468 -0.938 1.00 62.41 H new ATOM 0 HD3 ARG A 46 3.021 6.498 -2.012 1.00 62.41 H new ATOM 0 HE ARG A 46 3.280 8.107 -3.641 1.00 65.45 H new ATOM 0 HH11 ARG A 46 3.740 9.617 -0.509 1.00 75.23 H new ATOM 0 HH12 ARG A 46 4.194 11.168 -1.224 1.00 75.23 H new ATOM 0 HH21 ARG A 46 3.879 10.046 -4.491 1.00 1.44 H new ATOM 0 HH22 ARG A 46 4.270 11.404 -3.431 1.00 1.44 H new ATOM 728 N LYS A 47 -0.659 10.328 0.534 1.00 14.42 N ATOM 729 CA LYS A 47 -0.380 11.726 0.878 1.00 71.33 C ATOM 730 C LYS A 47 1.027 11.856 1.476 1.00 42.40 C ATOM 731 O LYS A 47 1.641 10.856 1.841 1.00 33.44 O ATOM 732 CB LYS A 47 -1.428 12.258 1.865 1.00 74.33 C ATOM 733 CG LYS A 47 -2.871 11.988 1.436 1.00 23.12 C ATOM 734 CD LYS A 47 -3.869 12.807 2.250 1.00 41.24 C ATOM 735 CE LYS A 47 -3.840 14.285 1.865 1.00 30.02 C ATOM 736 NZ LYS A 47 -4.390 14.516 0.499 1.00 4.15 N ATOM 0 H LYS A 47 -1.047 9.777 1.300 1.00 14.42 H new ATOM 0 HA LYS A 47 -0.430 12.322 -0.033 1.00 71.33 H new ATOM 0 HB2 LYS A 47 -1.258 11.804 2.841 1.00 74.33 H new ATOM 0 HB3 LYS A 47 -1.289 13.332 1.984 1.00 74.33 H new ATOM 0 HG2 LYS A 47 -2.985 12.224 0.378 1.00 23.12 H new ATOM 0 HG3 LYS A 47 -3.092 10.927 1.552 1.00 23.12 H new ATOM 0 HD2 LYS A 47 -4.873 12.412 2.097 1.00 41.24 H new ATOM 0 HD3 LYS A 47 -3.644 12.704 3.311 1.00 41.24 H new ATOM 0 HE2 LYS A 47 -4.416 14.860 2.590 1.00 30.02 H new ATOM 0 HE3 LYS A 47 -2.814 14.651 1.910 1.00 30.02 H new ATOM 0 HZ1 LYS A 47 -4.684 15.509 0.407 1.00 4.15 H new ATOM 0 HZ2 LYS A 47 -3.659 14.304 -0.210 1.00 4.15 H new ATOM 0 HZ3 LYS A 47 -5.211 13.896 0.346 1.00 4.15 H new ATOM 750 N ILE A 48 1.540 13.080 1.578 1.00 54.25 N ATOM 751 CA ILE A 48 2.903 13.293 2.089 1.00 44.43 C ATOM 752 C ILE A 48 3.160 14.762 2.482 1.00 64.14 C ATOM 753 O ILE A 48 3.567 15.051 3.610 1.00 54.14 O ATOM 754 CB ILE A 48 3.970 12.822 1.056 1.00 21.44 C ATOM 755 CG1 ILE A 48 5.389 13.097 1.582 1.00 61.33 C ATOM 756 CG2 ILE A 48 3.752 13.481 -0.309 1.00 1.34 C ATOM 757 CD1 ILE A 48 6.493 12.637 0.651 1.00 31.41 C ATOM 0 H ILE A 48 1.045 13.933 1.319 1.00 54.25 H new ATOM 0 HA ILE A 48 2.993 12.689 2.992 1.00 44.43 H new ATOM 0 HB ILE A 48 3.857 11.746 0.922 1.00 21.44 H new ATOM 0 HG12 ILE A 48 5.499 14.167 1.758 1.00 61.33 H new ATOM 0 HG13 ILE A 48 5.510 12.601 2.545 1.00 61.33 H new ATOM 0 HG21 ILE A 48 4.513 13.132 -1.007 1.00 1.34 H new ATOM 0 HG22 ILE A 48 2.764 13.217 -0.687 1.00 1.34 H new ATOM 0 HG23 ILE A 48 3.824 14.564 -0.206 1.00 1.34 H new ATOM 0 HD11 ILE A 48 7.462 12.867 1.094 1.00 31.41 H new ATOM 0 HD12 ILE A 48 6.412 11.561 0.494 1.00 31.41 H new ATOM 0 HD13 ILE A 48 6.400 13.151 -0.306 1.00 31.41 H new ATOM 769 N GLY A 49 2.910 15.682 1.556 1.00 4.34 N ATOM 770 CA GLY A 49 3.162 17.095 1.809 1.00 51.53 C ATOM 771 C GLY A 49 2.680 17.982 0.669 1.00 14.52 C ATOM 772 O GLY A 49 3.022 17.740 -0.493 1.00 0.12 O ATOM 0 H GLY A 49 2.536 15.476 0.630 1.00 4.34 H new ATOM 0 HA2 GLY A 49 2.664 17.391 2.732 1.00 51.53 H new ATOM 0 HA3 GLY A 49 4.230 17.250 1.960 1.00 51.53 H new ATOM 776 N ASP A 50 1.886 19.001 1.004 1.00 21.34 N ATOM 777 CA ASP A 50 1.294 19.917 0.018 1.00 2.41 C ATOM 778 C ASP A 50 0.225 19.222 -0.846 1.00 74.20 C ATOM 779 O ASP A 50 -0.964 19.523 -0.738 1.00 4.32 O ATOM 780 CB ASP A 50 2.374 20.546 -0.876 1.00 72.11 C ATOM 781 CG ASP A 50 1.784 21.510 -1.887 1.00 0.10 C ATOM 782 OD1 ASP A 50 1.380 22.621 -1.484 1.00 70.03 O ATOM 783 OD2 ASP A 50 1.695 21.156 -3.081 1.00 64.11 O ATOM 0 H ASP A 50 1.633 19.218 1.968 1.00 21.34 H new ATOM 0 HA ASP A 50 0.803 20.710 0.581 1.00 2.41 H new ATOM 0 HB2 ASP A 50 3.099 21.072 -0.254 1.00 72.11 H new ATOM 0 HB3 ASP A 50 2.915 19.758 -1.400 1.00 72.11 H new ATOM 788 N THR A 51 0.660 18.305 -1.708 1.00 40.35 N ATOM 789 CA THR A 51 -0.248 17.577 -2.606 1.00 61.42 C ATOM 790 C THR A 51 -0.258 16.072 -2.290 1.00 21.44 C ATOM 791 O THR A 51 0.343 15.630 -1.307 1.00 23.25 O ATOM 792 CB THR A 51 0.146 17.793 -4.090 1.00 40.23 C ATOM 793 OG1 THR A 51 -0.815 17.171 -4.956 1.00 3.33 O ATOM 794 CG2 THR A 51 1.539 17.236 -4.383 1.00 62.32 C ATOM 0 H THR A 51 1.641 18.044 -1.807 1.00 40.35 H new ATOM 0 HA THR A 51 -1.249 17.975 -2.443 1.00 61.42 H new ATOM 0 HB THR A 51 0.160 18.867 -4.276 1.00 40.23 H new ATOM 0 HG1 THR A 51 -0.556 17.316 -5.890 1.00 3.33 H new ATOM 0 HG21 THR A 51 1.785 17.404 -5.432 1.00 62.32 H new ATOM 0 HG22 THR A 51 2.272 17.740 -3.753 1.00 62.32 H new ATOM 0 HG23 THR A 51 1.555 16.167 -4.173 1.00 62.32 H new ATOM 802 N SER A 52 -0.950 15.289 -3.116 1.00 32.15 N ATOM 803 CA SER A 52 -1.039 13.834 -2.921 1.00 70.23 C ATOM 804 C SER A 52 -1.531 13.121 -4.186 1.00 31.34 C ATOM 805 O SER A 52 -2.194 13.721 -5.032 1.00 4.21 O ATOM 806 CB SER A 52 -1.960 13.500 -1.737 1.00 32.51 C ATOM 807 OG SER A 52 -3.242 14.101 -1.870 1.00 4.52 O ATOM 0 H SER A 52 -1.460 15.634 -3.929 1.00 32.15 H new ATOM 0 HA SER A 52 -0.033 13.475 -2.702 1.00 70.23 H new ATOM 0 HB2 SER A 52 -2.073 12.419 -1.660 1.00 32.51 H new ATOM 0 HB3 SER A 52 -1.496 13.838 -0.811 1.00 32.51 H new ATOM 0 HG SER A 52 -3.911 13.408 -2.048 1.00 4.52 H new ATOM 813 N VAL A 53 -1.212 11.834 -4.302 1.00 54.13 N ATOM 814 CA VAL A 53 -1.560 11.046 -5.490 1.00 3.23 C ATOM 815 C VAL A 53 -2.057 9.642 -5.100 1.00 21.42 C ATOM 816 O VAL A 53 -1.612 9.071 -4.105 1.00 25.55 O ATOM 817 CB VAL A 53 -0.338 10.927 -6.442 1.00 52.13 C ATOM 818 CG1 VAL A 53 0.852 10.292 -5.722 1.00 41.03 C ATOM 819 CG2 VAL A 53 -0.698 10.145 -7.708 1.00 3.51 C ATOM 0 H VAL A 53 -0.710 11.309 -3.586 1.00 54.13 H new ATOM 0 HA VAL A 53 -2.366 11.565 -6.008 1.00 3.23 H new ATOM 0 HB VAL A 53 -0.050 11.933 -6.746 1.00 52.13 H new ATOM 0 HG11 VAL A 53 1.696 10.219 -6.408 1.00 41.03 H new ATOM 0 HG12 VAL A 53 1.131 10.908 -4.868 1.00 41.03 H new ATOM 0 HG13 VAL A 53 0.578 9.295 -5.376 1.00 41.03 H new ATOM 0 HG21 VAL A 53 0.176 10.078 -8.355 1.00 3.51 H new ATOM 0 HG22 VAL A 53 -1.025 9.142 -7.435 1.00 3.51 H new ATOM 0 HG23 VAL A 53 -1.502 10.658 -8.236 1.00 3.51 H new ATOM 829 N SER A 54 -2.984 9.094 -5.883 1.00 24.21 N ATOM 830 CA SER A 54 -3.557 7.766 -5.600 1.00 71.33 C ATOM 831 C SER A 54 -3.159 6.731 -6.661 1.00 1.22 C ATOM 832 O SER A 54 -2.736 7.081 -7.764 1.00 60.34 O ATOM 833 CB SER A 54 -5.087 7.850 -5.513 1.00 62.12 C ATOM 834 OG SER A 54 -5.661 8.273 -6.742 1.00 52.25 O ATOM 0 H SER A 54 -3.358 9.543 -6.719 1.00 24.21 H new ATOM 0 HA SER A 54 -3.153 7.440 -4.642 1.00 71.33 H new ATOM 0 HB2 SER A 54 -5.490 6.875 -5.240 1.00 62.12 H new ATOM 0 HB3 SER A 54 -5.369 8.545 -4.722 1.00 62.12 H new ATOM 0 HG SER A 54 -6.616 8.054 -6.749 1.00 52.25 H new ATOM 840 N TYR A 55 -3.297 5.449 -6.317 1.00 73.43 N ATOM 841 CA TYR A 55 -2.975 4.352 -7.239 1.00 43.03 C ATOM 842 C TYR A 55 -4.047 3.254 -7.201 1.00 74.25 C ATOM 843 O TYR A 55 -4.418 2.774 -6.131 1.00 30.52 O ATOM 844 CB TYR A 55 -1.610 3.749 -6.887 1.00 34.41 C ATOM 845 CG TYR A 55 -1.178 2.629 -7.815 1.00 35.14 C ATOM 846 CD1 TYR A 55 -0.884 2.886 -9.150 1.00 62.23 C ATOM 847 CD2 TYR A 55 -1.060 1.318 -7.358 1.00 2.31 C ATOM 848 CE1 TYR A 55 -0.488 1.875 -10.001 1.00 24.23 C ATOM 849 CE2 TYR A 55 -0.664 0.300 -8.206 1.00 3.14 C ATOM 850 CZ TYR A 55 -0.379 0.585 -9.527 1.00 61.01 C ATOM 851 OH TYR A 55 0.021 -0.422 -10.378 1.00 3.30 O ATOM 0 H TYR A 55 -3.631 5.142 -5.403 1.00 73.43 H new ATOM 0 HA TYR A 55 -2.944 4.765 -8.247 1.00 43.03 H new ATOM 0 HB2 TYR A 55 -0.858 4.538 -6.910 1.00 34.41 H new ATOM 0 HB3 TYR A 55 -1.643 3.370 -5.866 1.00 34.41 H new ATOM 0 HD1 TYR A 55 -0.967 3.895 -9.527 1.00 62.23 H new ATOM 0 HD2 TYR A 55 -1.281 1.093 -6.325 1.00 2.31 H new ATOM 0 HE1 TYR A 55 -0.264 2.093 -11.035 1.00 24.23 H new ATOM 0 HE2 TYR A 55 -0.578 -0.712 -7.838 1.00 3.14 H new ATOM 0 HH TYR A 55 0.049 -1.271 -9.890 1.00 3.30 H new ATOM 861 N LYS A 56 -4.529 2.852 -8.374 1.00 32.23 N ATOM 862 CA LYS A 56 -5.539 1.794 -8.471 1.00 53.44 C ATOM 863 C LYS A 56 -4.897 0.426 -8.769 1.00 43.43 C ATOM 864 O LYS A 56 -3.902 0.332 -9.492 1.00 1.34 O ATOM 865 CB LYS A 56 -6.574 2.142 -9.552 1.00 35.34 C ATOM 866 CG LYS A 56 -7.588 1.031 -9.808 1.00 71.34 C ATOM 867 CD LYS A 56 -8.627 1.431 -10.849 1.00 62.41 C ATOM 868 CE LYS A 56 -9.454 0.234 -11.294 1.00 43.43 C ATOM 869 NZ LYS A 56 -8.610 -0.803 -11.949 1.00 4.31 N ATOM 0 H LYS A 56 -4.239 3.240 -9.271 1.00 32.23 H new ATOM 0 HA LYS A 56 -6.041 1.724 -7.506 1.00 53.44 H new ATOM 0 HB2 LYS A 56 -7.106 3.046 -9.256 1.00 35.34 H new ATOM 0 HB3 LYS A 56 -6.053 2.368 -10.482 1.00 35.34 H new ATOM 0 HG2 LYS A 56 -7.066 0.135 -10.143 1.00 71.34 H new ATOM 0 HG3 LYS A 56 -8.090 0.777 -8.874 1.00 71.34 H new ATOM 0 HD2 LYS A 56 -9.284 2.196 -10.435 1.00 62.41 H new ATOM 0 HD3 LYS A 56 -8.129 1.872 -11.712 1.00 62.41 H new ATOM 0 HE2 LYS A 56 -9.960 -0.200 -10.432 1.00 43.43 H new ATOM 0 HE3 LYS A 56 -10.229 0.564 -11.986 1.00 43.43 H new ATOM 0 HZ1 LYS A 56 -9.217 -1.464 -12.474 1.00 4.31 H new ATOM 0 HZ2 LYS A 56 -7.947 -0.346 -12.607 1.00 4.31 H new ATOM 0 HZ3 LYS A 56 -8.076 -1.324 -11.225 1.00 4.31 H new ATOM 883 N TYR A 57 -5.474 -0.629 -8.200 1.00 1.11 N ATOM 884 CA TYR A 57 -4.971 -1.996 -8.387 1.00 14.24 C ATOM 885 C TYR A 57 -5.681 -2.718 -9.549 1.00 62.10 C ATOM 886 O TYR A 57 -6.570 -2.159 -10.202 1.00 12.52 O ATOM 887 CB TYR A 57 -5.140 -2.796 -7.088 1.00 71.01 C ATOM 888 CG TYR A 57 -4.284 -2.286 -5.942 1.00 21.03 C ATOM 889 CD1 TYR A 57 -4.658 -1.162 -5.213 1.00 64.12 C ATOM 890 CD2 TYR A 57 -3.103 -2.928 -5.591 1.00 4.40 C ATOM 891 CE1 TYR A 57 -3.881 -0.696 -4.169 1.00 15.52 C ATOM 892 CE2 TYR A 57 -2.323 -2.470 -4.549 1.00 51.44 C ATOM 893 CZ TYR A 57 -2.714 -1.353 -3.841 1.00 14.23 C ATOM 894 OH TYR A 57 -1.931 -0.892 -2.806 1.00 54.04 O ATOM 0 H TYR A 57 -6.297 -0.567 -7.600 1.00 1.11 H new ATOM 0 HA TYR A 57 -3.913 -1.928 -8.641 1.00 14.24 H new ATOM 0 HB2 TYR A 57 -6.188 -2.768 -6.788 1.00 71.01 H new ATOM 0 HB3 TYR A 57 -4.891 -3.840 -7.279 1.00 71.01 H new ATOM 0 HD1 TYR A 57 -5.571 -0.644 -5.467 1.00 64.12 H new ATOM 0 HD2 TYR A 57 -2.790 -3.801 -6.144 1.00 4.40 H new ATOM 0 HE1 TYR A 57 -4.186 0.178 -3.613 1.00 15.52 H new ATOM 0 HE2 TYR A 57 -1.410 -2.984 -4.289 1.00 51.44 H new ATOM 0 HH TYR A 57 -1.146 -1.470 -2.707 1.00 54.04 H new ATOM 904 N THR A 58 -5.283 -3.969 -9.793 1.00 61.51 N ATOM 905 CA THR A 58 -5.867 -4.790 -10.872 1.00 70.14 C ATOM 906 C THR A 58 -6.098 -6.239 -10.413 1.00 40.54 C ATOM 907 O THR A 58 -5.431 -6.731 -9.500 1.00 43.00 O ATOM 908 CB THR A 58 -4.965 -4.807 -12.133 1.00 2.42 C ATOM 909 OG1 THR A 58 -5.526 -5.673 -13.138 1.00 4.42 O ATOM 910 CG2 THR A 58 -3.549 -5.266 -11.793 1.00 52.23 C ATOM 0 H THR A 58 -4.555 -4.443 -9.258 1.00 61.51 H new ATOM 0 HA THR A 58 -6.823 -4.331 -11.122 1.00 70.14 H new ATOM 0 HB THR A 58 -4.915 -3.789 -12.519 1.00 2.42 H new ATOM 0 HG1 THR A 58 -4.948 -5.673 -13.929 1.00 4.42 H new ATOM 0 HG21 THR A 58 -2.940 -5.268 -12.697 1.00 52.23 H new ATOM 0 HG22 THR A 58 -3.112 -4.586 -11.062 1.00 52.23 H new ATOM 0 HG23 THR A 58 -3.583 -6.273 -11.377 1.00 52.23 H new ATOM 918 N SER A 59 -7.035 -6.926 -11.065 1.00 33.02 N ATOM 919 CA SER A 59 -7.384 -8.305 -10.697 1.00 34.01 C ATOM 920 C SER A 59 -6.407 -9.318 -11.314 1.00 33.14 C ATOM 921 O SER A 59 -6.633 -9.817 -12.419 1.00 4.33 O ATOM 922 CB SER A 59 -8.819 -8.631 -11.147 1.00 73.15 C ATOM 923 OG SER A 59 -9.765 -7.731 -10.582 1.00 34.25 O ATOM 0 H SER A 59 -7.568 -6.554 -11.851 1.00 33.02 H new ATOM 0 HA SER A 59 -7.316 -8.383 -9.612 1.00 34.01 H new ATOM 0 HB2 SER A 59 -8.878 -8.586 -12.234 1.00 73.15 H new ATOM 0 HB3 SER A 59 -9.069 -9.651 -10.856 1.00 73.15 H new ATOM 0 HG SER A 59 -9.293 -7.000 -10.132 1.00 34.25 H new ATOM 929 N ARG A 60 -5.306 -9.596 -10.614 1.00 11.41 N ATOM 930 CA ARG A 60 -4.322 -10.587 -11.088 1.00 54.32 C ATOM 931 C ARG A 60 -3.739 -11.431 -9.936 1.00 10.03 C ATOM 932 O ARG A 60 -2.816 -12.221 -10.145 1.00 71.34 O ATOM 933 CB ARG A 60 -3.184 -9.885 -11.850 1.00 34.20 C ATOM 934 CG ARG A 60 -2.293 -9.005 -10.975 1.00 42.21 C ATOM 935 CD ARG A 60 -1.190 -8.324 -11.782 1.00 52.52 C ATOM 936 NE ARG A 60 -0.367 -9.285 -12.521 1.00 60.34 N ATOM 937 CZ ARG A 60 0.876 -9.080 -12.870 1.00 11.24 C ATOM 938 NH1 ARG A 60 1.481 -7.977 -12.568 1.00 32.34 N ATOM 939 NH2 ARG A 60 1.508 -9.991 -13.537 1.00 32.43 N ATOM 0 H ARG A 60 -5.069 -9.157 -9.724 1.00 11.41 H new ATOM 0 HA ARG A 60 -4.849 -11.266 -11.758 1.00 54.32 H new ATOM 0 HB2 ARG A 60 -2.566 -10.641 -12.334 1.00 34.20 H new ATOM 0 HB3 ARG A 60 -3.616 -9.272 -12.641 1.00 34.20 H new ATOM 0 HG2 ARG A 60 -2.903 -8.247 -10.484 1.00 42.21 H new ATOM 0 HG3 ARG A 60 -1.844 -9.612 -10.189 1.00 42.21 H new ATOM 0 HD2 ARG A 60 -1.638 -7.619 -12.482 1.00 52.52 H new ATOM 0 HD3 ARG A 60 -0.555 -7.746 -11.110 1.00 52.52 H new ATOM 0 HE ARG A 60 -0.793 -10.175 -12.781 1.00 60.34 H new ATOM 0 HH11 ARG A 60 0.988 -7.250 -12.049 1.00 32.34 H new ATOM 0 HH12 ARG A 60 2.451 -7.834 -12.848 1.00 32.34 H new ATOM 0 HH21 ARG A 60 1.036 -10.860 -13.786 1.00 32.43 H new ATOM 0 HH22 ARG A 60 2.478 -9.840 -13.814 1.00 32.43 H new ATOM 953 N TYR A 61 -4.286 -11.280 -8.728 1.00 54.02 N ATOM 954 CA TYR A 61 -3.771 -11.998 -7.552 1.00 43.03 C ATOM 955 C TYR A 61 -4.778 -11.979 -6.390 1.00 41.35 C ATOM 956 O TYR A 61 -5.539 -11.022 -6.225 1.00 41.24 O ATOM 957 CB TYR A 61 -2.436 -11.388 -7.091 1.00 31.22 C ATOM 958 CG TYR A 61 -2.548 -9.960 -6.575 1.00 20.51 C ATOM 959 CD1 TYR A 61 -2.768 -8.898 -7.447 1.00 55.34 C ATOM 960 CD2 TYR A 61 -2.437 -9.676 -5.216 1.00 13.34 C ATOM 961 CE1 TYR A 61 -2.878 -7.601 -6.983 1.00 55.32 C ATOM 962 CE2 TYR A 61 -2.546 -8.381 -4.747 1.00 62.55 C ATOM 963 CZ TYR A 61 -2.764 -7.349 -5.633 1.00 62.44 C ATOM 964 OH TYR A 61 -2.873 -6.060 -5.167 1.00 43.02 O ATOM 0 H TYR A 61 -5.081 -10.671 -8.535 1.00 54.02 H new ATOM 0 HA TYR A 61 -3.612 -13.035 -7.848 1.00 43.03 H new ATOM 0 HB2 TYR A 61 -2.015 -12.015 -6.305 1.00 31.22 H new ATOM 0 HB3 TYR A 61 -1.733 -11.407 -7.924 1.00 31.22 H new ATOM 0 HD1 TYR A 61 -2.854 -9.091 -8.506 1.00 55.34 H new ATOM 0 HD2 TYR A 61 -2.263 -10.481 -4.518 1.00 13.34 H new ATOM 0 HE1 TYR A 61 -3.052 -6.790 -7.674 1.00 55.32 H new ATOM 0 HE2 TYR A 61 -2.461 -8.179 -3.690 1.00 62.55 H new ATOM 0 HH TYR A 61 -2.214 -5.912 -4.457 1.00 43.02 H new ATOM 974 N VAL A 62 -4.776 -13.044 -5.593 1.00 22.43 N ATOM 975 CA VAL A 62 -5.622 -13.132 -4.396 1.00 2.41 C ATOM 976 C VAL A 62 -4.766 -13.094 -3.115 1.00 33.01 C ATOM 977 O VAL A 62 -3.778 -13.824 -2.993 1.00 3.00 O ATOM 978 CB VAL A 62 -6.475 -14.427 -4.411 1.00 14.10 C ATOM 979 CG1 VAL A 62 -7.354 -14.524 -3.165 1.00 3.24 C ATOM 980 CG2 VAL A 62 -7.328 -14.499 -5.677 1.00 21.33 C ATOM 0 H VAL A 62 -4.195 -13.867 -5.753 1.00 22.43 H new ATOM 0 HA VAL A 62 -6.290 -12.270 -4.403 1.00 2.41 H new ATOM 0 HB VAL A 62 -5.791 -15.276 -4.407 1.00 14.10 H new ATOM 0 HG11 VAL A 62 -7.940 -15.442 -3.204 1.00 3.24 H new ATOM 0 HG12 VAL A 62 -6.724 -14.533 -2.275 1.00 3.24 H new ATOM 0 HG13 VAL A 62 -8.025 -13.666 -3.126 1.00 3.24 H new ATOM 0 HG21 VAL A 62 -7.918 -15.415 -5.666 1.00 21.33 H new ATOM 0 HG22 VAL A 62 -7.995 -13.638 -5.716 1.00 21.33 H new ATOM 0 HG23 VAL A 62 -6.680 -14.495 -6.553 1.00 21.33 H new ATOM 990 N LEU A 63 -5.153 -12.242 -2.166 1.00 54.35 N ATOM 991 CA LEU A 63 -4.407 -12.072 -0.913 1.00 34.14 C ATOM 992 C LEU A 63 -4.693 -13.213 0.076 1.00 62.35 C ATOM 993 O LEU A 63 -5.768 -13.284 0.669 1.00 61.54 O ATOM 994 CB LEU A 63 -4.756 -10.725 -0.265 1.00 62.42 C ATOM 995 CG LEU A 63 -4.337 -9.480 -1.064 1.00 23.33 C ATOM 996 CD1 LEU A 63 -4.810 -8.207 -0.366 1.00 70.13 C ATOM 997 CD2 LEU A 63 -2.820 -9.453 -1.268 1.00 15.30 C ATOM 0 H LEU A 63 -5.983 -11.654 -2.239 1.00 54.35 H new ATOM 0 HA LEU A 63 -3.345 -12.094 -1.158 1.00 34.14 H new ATOM 0 HB2 LEU A 63 -5.833 -10.687 -0.104 1.00 62.42 H new ATOM 0 HB3 LEU A 63 -4.285 -10.681 0.717 1.00 62.42 H new ATOM 0 HG LEU A 63 -4.812 -9.528 -2.044 1.00 23.33 H new ATOM 0 HD11 LEU A 63 -4.503 -7.338 -0.948 1.00 70.13 H new ATOM 0 HD12 LEU A 63 -5.897 -8.221 -0.280 1.00 70.13 H new ATOM 0 HD13 LEU A 63 -4.368 -8.152 0.629 1.00 70.13 H new ATOM 0 HD21 LEU A 63 -2.545 -8.564 -1.836 1.00 15.30 H new ATOM 0 HD22 LEU A 63 -2.323 -9.433 -0.298 1.00 15.30 H new ATOM 0 HD23 LEU A 63 -2.511 -10.343 -1.816 1.00 15.30 H new ATOM 1009 N LYS A 64 -3.722 -14.104 0.242 1.00 54.01 N ATOM 1010 CA LYS A 64 -3.842 -15.219 1.186 1.00 63.24 C ATOM 1011 C LYS A 64 -3.729 -14.739 2.645 1.00 62.35 C ATOM 1012 O LYS A 64 -3.285 -13.619 2.917 1.00 23.52 O ATOM 1013 CB LYS A 64 -2.755 -16.263 0.895 1.00 43.22 C ATOM 1014 CG LYS A 64 -2.807 -16.831 -0.522 1.00 2.41 C ATOM 1015 CD LYS A 64 -1.676 -17.826 -0.771 1.00 62.34 C ATOM 1016 CE LYS A 64 -1.745 -18.432 -2.168 1.00 62.22 C ATOM 1017 NZ LYS A 64 -0.632 -19.384 -2.420 1.00 43.34 N ATOM 0 H LYS A 64 -2.838 -14.079 -0.265 1.00 54.01 H new ATOM 0 HA LYS A 64 -4.827 -15.667 1.056 1.00 63.24 H new ATOM 0 HB2 LYS A 64 -1.777 -15.811 1.059 1.00 43.22 H new ATOM 0 HB3 LYS A 64 -2.851 -17.082 1.608 1.00 43.22 H new ATOM 0 HG2 LYS A 64 -3.767 -17.323 -0.682 1.00 2.41 H new ATOM 0 HG3 LYS A 64 -2.741 -16.017 -1.244 1.00 2.41 H new ATOM 0 HD2 LYS A 64 -0.717 -17.325 -0.640 1.00 62.34 H new ATOM 0 HD3 LYS A 64 -1.723 -18.622 -0.028 1.00 62.34 H new ATOM 0 HE2 LYS A 64 -2.697 -18.947 -2.293 1.00 62.22 H new ATOM 0 HE3 LYS A 64 -1.715 -17.635 -2.911 1.00 62.22 H new ATOM 0 HZ1 LYS A 64 -0.718 -19.772 -3.381 1.00 43.34 H new ATOM 0 HZ2 LYS A 64 0.277 -18.888 -2.327 1.00 43.34 H new ATOM 0 HZ3 LYS A 64 -0.675 -20.160 -1.728 1.00 43.34 H new ATOM 1031 N ALA A 65 -4.130 -15.592 3.583 1.00 52.43 N ATOM 1032 CA ALA A 65 -4.013 -15.278 5.010 1.00 15.34 C ATOM 1033 C ALA A 65 -2.540 -15.142 5.428 1.00 40.40 C ATOM 1034 O ALA A 65 -1.780 -16.117 5.399 1.00 61.03 O ATOM 1035 CB ALA A 65 -4.713 -16.345 5.841 1.00 22.40 C ATOM 0 H ALA A 65 -4.539 -16.505 3.385 1.00 52.43 H new ATOM 0 HA ALA A 65 -4.499 -14.319 5.191 1.00 15.34 H new ATOM 0 HB1 ALA A 65 -4.620 -16.101 6.899 1.00 22.40 H new ATOM 0 HB2 ALA A 65 -5.768 -16.384 5.569 1.00 22.40 H new ATOM 0 HB3 ALA A 65 -4.253 -17.315 5.650 1.00 22.40 H new ATOM 1041 N GLY A 66 -2.139 -13.926 5.794 1.00 3.22 N ATOM 1042 CA GLY A 66 -0.754 -13.664 6.177 1.00 52.12 C ATOM 1043 C GLY A 66 0.111 -13.191 5.008 1.00 62.04 C ATOM 1044 O GLY A 66 1.330 -13.072 5.138 1.00 23.24 O ATOM 0 H GLY A 66 -2.750 -13.111 5.833 1.00 3.22 H new ATOM 0 HA2 GLY A 66 -0.737 -12.909 6.963 1.00 52.12 H new ATOM 0 HA3 GLY A 66 -0.321 -14.572 6.598 1.00 52.12 H new ATOM 1048 N GLN A 67 -0.519 -12.912 3.870 1.00 14.21 N ATOM 1049 CA GLN A 67 0.203 -12.484 2.665 1.00 72.44 C ATOM 1050 C GLN A 67 0.439 -10.963 2.648 1.00 20.04 C ATOM 1051 O GLN A 67 -0.502 -10.170 2.727 1.00 0.11 O ATOM 1052 CB GLN A 67 -0.579 -12.908 1.411 1.00 60.21 C ATOM 1053 CG GLN A 67 0.093 -12.548 0.085 1.00 35.10 C ATOM 1054 CD GLN A 67 1.483 -13.149 -0.060 1.00 13.55 C ATOM 1055 OE1 GLN A 67 1.643 -14.282 -0.503 1.00 21.22 O ATOM 1056 NE2 GLN A 67 2.503 -12.382 0.272 1.00 62.41 N ATOM 0 H GLN A 67 -1.530 -12.973 3.752 1.00 14.21 H new ATOM 0 HA GLN A 67 1.179 -12.969 2.672 1.00 72.44 H new ATOM 0 HB2 GLN A 67 -0.733 -13.987 1.443 1.00 60.21 H new ATOM 0 HB3 GLN A 67 -1.565 -12.444 1.440 1.00 60.21 H new ATOM 0 HG2 GLN A 67 -0.533 -12.892 -0.738 1.00 35.10 H new ATOM 0 HG3 GLN A 67 0.162 -11.463 0.002 1.00 35.10 H new ATOM 0 HE21 GLN A 67 2.338 -11.444 0.638 1.00 62.41 H new ATOM 0 HE22 GLN A 67 3.457 -12.727 0.163 1.00 62.41 H new ATOM 1065 N THR A 68 1.707 -10.563 2.556 1.00 71.51 N ATOM 1066 CA THR A 68 2.070 -9.143 2.437 1.00 63.11 C ATOM 1067 C THR A 68 2.217 -8.727 0.969 1.00 31.44 C ATOM 1068 O THR A 68 2.570 -9.542 0.116 1.00 21.32 O ATOM 1069 CB THR A 68 3.404 -8.832 3.158 1.00 45.42 C ATOM 1070 OG1 THR A 68 4.472 -9.594 2.570 1.00 73.34 O ATOM 1071 CG2 THR A 68 3.313 -9.152 4.647 1.00 40.05 C ATOM 0 H THR A 68 2.504 -11.200 2.561 1.00 71.51 H new ATOM 0 HA THR A 68 1.261 -8.582 2.905 1.00 63.11 H new ATOM 0 HB THR A 68 3.606 -7.767 3.043 1.00 45.42 H new ATOM 0 HG1 THR A 68 5.312 -9.390 3.031 1.00 73.34 H new ATOM 0 HG21 THR A 68 4.265 -8.924 5.127 1.00 40.05 H new ATOM 0 HG22 THR A 68 2.524 -8.552 5.101 1.00 40.05 H new ATOM 0 HG23 THR A 68 3.085 -10.210 4.779 1.00 40.05 H new ATOM 1079 N VAL A 69 1.948 -7.458 0.677 1.00 3.03 N ATOM 1080 CA VAL A 69 2.129 -6.915 -0.674 1.00 54.43 C ATOM 1081 C VAL A 69 2.813 -5.536 -0.626 1.00 24.13 C ATOM 1082 O VAL A 69 2.350 -4.614 0.052 1.00 23.31 O ATOM 1083 CB VAL A 69 0.782 -6.824 -1.444 1.00 65.21 C ATOM 1084 CG1 VAL A 69 -0.244 -5.985 -0.682 1.00 14.31 C ATOM 1085 CG2 VAL A 69 0.999 -6.275 -2.854 1.00 44.34 C ATOM 0 H VAL A 69 1.603 -6.781 1.357 1.00 3.03 H new ATOM 0 HA VAL A 69 2.775 -7.606 -1.215 1.00 54.43 H new ATOM 0 HB VAL A 69 0.381 -7.834 -1.529 1.00 65.21 H new ATOM 0 HG11 VAL A 69 -1.173 -5.943 -1.250 1.00 14.31 H new ATOM 0 HG12 VAL A 69 -0.433 -6.438 0.291 1.00 14.31 H new ATOM 0 HG13 VAL A 69 0.142 -4.975 -0.543 1.00 14.31 H new ATOM 0 HG21 VAL A 69 0.043 -6.220 -3.374 1.00 44.34 H new ATOM 0 HG22 VAL A 69 1.437 -5.279 -2.793 1.00 44.34 H new ATOM 0 HG23 VAL A 69 1.673 -6.934 -3.401 1.00 44.34 H new ATOM 1095 N THR A 70 3.928 -5.412 -1.337 1.00 4.21 N ATOM 1096 CA THR A 70 4.742 -4.191 -1.319 1.00 61.11 C ATOM 1097 C THR A 70 4.544 -3.356 -2.591 1.00 22.33 C ATOM 1098 O THR A 70 4.669 -3.866 -3.703 1.00 72.40 O ATOM 1099 CB THR A 70 6.244 -4.538 -1.189 1.00 13.44 C ATOM 1100 OG1 THR A 70 6.460 -5.407 -0.065 1.00 10.23 O ATOM 1101 CG2 THR A 70 7.090 -3.285 -1.030 1.00 31.00 C ATOM 0 H THR A 70 4.296 -6.147 -1.940 1.00 4.21 H new ATOM 0 HA THR A 70 4.415 -3.608 -0.458 1.00 61.11 H new ATOM 0 HB THR A 70 6.546 -5.045 -2.106 1.00 13.44 H new ATOM 0 HG1 THR A 70 6.267 -6.332 -0.325 1.00 10.23 H new ATOM 0 HG21 THR A 70 8.140 -3.564 -0.941 1.00 31.00 H new ATOM 0 HG22 THR A 70 6.957 -2.643 -1.901 1.00 31.00 H new ATOM 0 HG23 THR A 70 6.780 -2.748 -0.133 1.00 31.00 H new ATOM 1109 N ILE A 71 4.233 -2.073 -2.424 1.00 73.03 N ATOM 1110 CA ILE A 71 4.095 -1.152 -3.555 1.00 21.42 C ATOM 1111 C ILE A 71 5.369 -0.308 -3.741 1.00 61.22 C ATOM 1112 O ILE A 71 5.589 0.669 -3.022 1.00 33.11 O ATOM 1113 CB ILE A 71 2.879 -0.209 -3.366 1.00 71.30 C ATOM 1114 CG1 ILE A 71 1.593 -1.021 -3.120 1.00 1.43 C ATOM 1115 CG2 ILE A 71 2.712 0.706 -4.582 1.00 23.34 C ATOM 1116 CD1 ILE A 71 1.234 -1.965 -4.251 1.00 54.51 C ATOM 0 H ILE A 71 4.071 -1.644 -1.513 1.00 73.03 H new ATOM 0 HA ILE A 71 3.937 -1.760 -4.446 1.00 21.42 H new ATOM 0 HB ILE A 71 3.064 0.413 -2.490 1.00 71.30 H new ATOM 0 HG12 ILE A 71 1.710 -1.598 -2.202 1.00 1.43 H new ATOM 0 HG13 ILE A 71 0.765 -0.331 -2.960 1.00 1.43 H new ATOM 0 HG21 ILE A 71 1.853 1.360 -4.430 1.00 23.34 H new ATOM 0 HG22 ILE A 71 3.610 1.310 -4.709 1.00 23.34 H new ATOM 0 HG23 ILE A 71 2.553 0.100 -5.474 1.00 23.34 H new ATOM 0 HD11 ILE A 71 0.317 -2.500 -4.002 1.00 54.51 H new ATOM 0 HD12 ILE A 71 1.083 -1.394 -5.167 1.00 54.51 H new ATOM 0 HD13 ILE A 71 2.043 -2.681 -4.398 1.00 54.51 H new ATOM 1128 N TRP A 72 6.214 -0.708 -4.691 1.00 53.33 N ATOM 1129 CA TRP A 72 7.460 0.016 -4.990 1.00 25.51 C ATOM 1130 C TRP A 72 7.203 1.196 -5.942 1.00 33.10 C ATOM 1131 O TRP A 72 6.754 1.002 -7.071 1.00 54.41 O ATOM 1132 CB TRP A 72 8.487 -0.932 -5.627 1.00 25.31 C ATOM 1133 CG TRP A 72 8.971 -2.026 -4.718 1.00 2.34 C ATOM 1134 CD1 TRP A 72 8.350 -3.214 -4.453 1.00 41.13 C ATOM 1135 CD2 TRP A 72 10.194 -2.039 -3.972 1.00 42.34 C ATOM 1136 NE1 TRP A 72 9.109 -3.957 -3.581 1.00 2.15 N ATOM 1137 CE2 TRP A 72 10.245 -3.257 -3.273 1.00 34.13 C ATOM 1138 CE3 TRP A 72 11.251 -1.133 -3.826 1.00 51.41 C ATOM 1139 CZ2 TRP A 72 11.311 -3.597 -2.444 1.00 62.53 C ATOM 1140 CZ3 TRP A 72 12.309 -1.471 -3.004 1.00 54.10 C ATOM 1141 CH2 TRP A 72 12.332 -2.695 -2.321 1.00 42.21 C ATOM 0 H TRP A 72 6.062 -1.533 -5.272 1.00 53.33 H new ATOM 0 HA TRP A 72 7.851 0.403 -4.049 1.00 25.51 H new ATOM 0 HB2 TRP A 72 8.044 -1.384 -6.515 1.00 25.31 H new ATOM 0 HB3 TRP A 72 9.345 -0.348 -5.960 1.00 25.31 H new ATOM 0 HD1 TRP A 72 7.402 -3.524 -4.868 1.00 41.13 H new ATOM 0 HE1 TRP A 72 8.866 -4.880 -3.222 1.00 2.15 H new ATOM 0 HE3 TRP A 72 11.240 -0.187 -4.346 1.00 51.41 H new ATOM 0 HZ2 TRP A 72 11.331 -4.539 -1.917 1.00 62.53 H new ATOM 0 HZ3 TRP A 72 13.131 -0.781 -2.886 1.00 54.10 H new ATOM 0 HH2 TRP A 72 13.173 -2.931 -1.685 1.00 42.21 H new ATOM 1152 N ALA A 73 7.509 2.414 -5.500 1.00 53.54 N ATOM 1153 CA ALA A 73 7.256 3.612 -6.311 1.00 3.10 C ATOM 1154 C ALA A 73 8.263 3.767 -7.469 1.00 62.31 C ATOM 1155 O ALA A 73 9.253 4.495 -7.357 1.00 65.00 O ATOM 1156 CB ALA A 73 7.256 4.858 -5.432 1.00 74.54 C ATOM 0 H ALA A 73 7.930 2.601 -4.590 1.00 53.54 H new ATOM 0 HA ALA A 73 6.271 3.490 -6.762 1.00 3.10 H new ATOM 0 HB1 ALA A 73 7.067 5.738 -6.048 1.00 74.54 H new ATOM 0 HB2 ALA A 73 6.476 4.770 -4.676 1.00 74.54 H new ATOM 0 HB3 ALA A 73 8.225 4.958 -4.943 1.00 74.54 H new ATOM 1162 N ALA A 74 8.000 3.056 -8.572 1.00 72.23 N ATOM 1163 CA ALA A 74 8.797 3.153 -9.812 1.00 1.30 C ATOM 1164 C ALA A 74 10.280 2.764 -9.626 1.00 74.14 C ATOM 1165 O ALA A 74 10.715 1.703 -10.083 1.00 22.12 O ATOM 1166 CB ALA A 74 8.688 4.553 -10.409 1.00 21.00 C ATOM 0 H ALA A 74 7.227 2.394 -8.635 1.00 72.23 H new ATOM 0 HA ALA A 74 8.373 2.424 -10.503 1.00 1.30 H new ATOM 0 HB1 ALA A 74 9.281 4.606 -11.322 1.00 21.00 H new ATOM 0 HB2 ALA A 74 7.645 4.770 -10.641 1.00 21.00 H new ATOM 0 HB3 ALA A 74 9.060 5.284 -9.691 1.00 21.00 H new ATOM 1172 N ASN A 75 11.056 3.633 -8.976 1.00 32.34 N ATOM 1173 CA ASN A 75 12.494 3.399 -8.778 1.00 23.52 C ATOM 1174 C ASN A 75 12.741 2.275 -7.758 1.00 20.23 C ATOM 1175 O ASN A 75 12.843 2.517 -6.553 1.00 21.02 O ATOM 1176 CB ASN A 75 13.191 4.689 -8.330 1.00 12.25 C ATOM 1177 CG ASN A 75 12.945 5.845 -9.282 1.00 13.15 C ATOM 1178 OD1 ASN A 75 12.695 5.652 -10.467 1.00 13.13 O ATOM 1179 ND2 ASN A 75 13.023 7.060 -8.774 1.00 42.04 N ATOM 0 H ASN A 75 10.716 4.507 -8.576 1.00 32.34 H new ATOM 0 HA ASN A 75 12.916 3.085 -9.733 1.00 23.52 H new ATOM 0 HB2 ASN A 75 12.839 4.961 -7.335 1.00 12.25 H new ATOM 0 HB3 ASN A 75 14.263 4.510 -8.251 1.00 12.25 H new ATOM 0 HD21 ASN A 75 12.873 7.873 -9.371 1.00 42.04 H new ATOM 0 HD22 ASN A 75 13.233 7.186 -7.784 1.00 42.04 H new ATOM 1186 N ALA A 76 12.830 1.042 -8.252 1.00 1.14 N ATOM 1187 CA ALA A 76 12.963 -0.134 -7.386 1.00 4.34 C ATOM 1188 C ALA A 76 14.071 -1.092 -7.854 1.00 5.12 C ATOM 1189 O ALA A 76 14.802 -1.656 -7.038 1.00 61.11 O ATOM 1190 CB ALA A 76 11.633 -0.876 -7.323 1.00 34.11 C ATOM 0 H ALA A 76 12.813 0.828 -9.249 1.00 1.14 H new ATOM 0 HA ALA A 76 13.245 0.223 -6.395 1.00 4.34 H new ATOM 0 HB1 ALA A 76 11.734 -1.750 -6.679 1.00 34.11 H new ATOM 0 HB2 ALA A 76 10.866 -0.215 -6.920 1.00 34.11 H new ATOM 0 HB3 ALA A 76 11.347 -1.195 -8.325 1.00 34.11 H new ATOM 1196 N GLY A 77 14.181 -1.285 -9.169 1.00 51.04 N ATOM 1197 CA GLY A 77 15.127 -2.260 -9.716 1.00 3.34 C ATOM 1198 C GLY A 77 14.514 -3.654 -9.865 1.00 44.01 C ATOM 1199 O GLY A 77 14.906 -4.428 -10.739 1.00 34.31 O ATOM 0 H GLY A 77 13.633 -0.785 -9.869 1.00 51.04 H new ATOM 0 HA2 GLY A 77 15.477 -1.915 -10.689 1.00 3.34 H new ATOM 0 HA3 GLY A 77 16.000 -2.318 -9.066 1.00 3.34 H new ATOM 1203 N VAL A 78 13.557 -3.971 -8.996 1.00 21.23 N ATOM 1204 CA VAL A 78 12.831 -5.248 -9.042 1.00 12.34 C ATOM 1205 C VAL A 78 11.956 -5.349 -10.313 1.00 73.13 C ATOM 1206 O VAL A 78 11.640 -4.335 -10.940 1.00 14.12 O ATOM 1207 CB VAL A 78 11.938 -5.407 -7.778 1.00 45.10 C ATOM 1208 CG1 VAL A 78 11.244 -6.768 -7.746 1.00 42.22 C ATOM 1209 CG2 VAL A 78 12.759 -5.189 -6.506 1.00 21.31 C ATOM 0 H VAL A 78 13.260 -3.355 -8.240 1.00 21.23 H new ATOM 0 HA VAL A 78 13.569 -6.050 -9.067 1.00 12.34 H new ATOM 0 HB VAL A 78 11.162 -4.643 -7.825 1.00 45.10 H new ATOM 0 HG11 VAL A 78 10.629 -6.842 -6.849 1.00 42.22 H new ATOM 0 HG12 VAL A 78 10.613 -6.875 -8.628 1.00 42.22 H new ATOM 0 HG13 VAL A 78 11.994 -7.559 -7.738 1.00 42.22 H new ATOM 0 HG21 VAL A 78 12.116 -5.305 -5.634 1.00 21.31 H new ATOM 0 HG22 VAL A 78 13.564 -5.922 -6.463 1.00 21.31 H new ATOM 0 HG23 VAL A 78 13.183 -4.185 -6.514 1.00 21.31 H new ATOM 1219 N THR A 79 11.589 -6.575 -10.699 1.00 53.34 N ATOM 1220 CA THR A 79 10.709 -6.800 -11.861 1.00 3.20 C ATOM 1221 C THR A 79 9.418 -5.965 -11.772 1.00 32.15 C ATOM 1222 O THR A 79 8.728 -5.975 -10.751 1.00 3.35 O ATOM 1223 CB THR A 79 10.330 -8.297 -12.000 1.00 41.32 C ATOM 1224 OG1 THR A 79 11.501 -9.078 -12.291 1.00 1.21 O ATOM 1225 CG2 THR A 79 9.289 -8.518 -13.096 1.00 74.44 C ATOM 0 H THR A 79 11.885 -7.429 -10.227 1.00 53.34 H new ATOM 0 HA THR A 79 11.273 -6.486 -12.739 1.00 3.20 H new ATOM 0 HB THR A 79 9.898 -8.614 -11.051 1.00 41.32 H new ATOM 0 HG1 THR A 79 11.252 -10.022 -12.375 1.00 1.21 H new ATOM 0 HG21 THR A 79 9.050 -9.579 -13.162 1.00 74.44 H new ATOM 0 HG22 THR A 79 8.385 -7.957 -12.858 1.00 74.44 H new ATOM 0 HG23 THR A 79 9.688 -8.176 -14.051 1.00 74.44 H new ATOM 1233 N ALA A 80 9.103 -5.245 -12.848 1.00 4.15 N ATOM 1234 CA ALA A 80 7.914 -4.386 -12.890 1.00 71.34 C ATOM 1235 C ALA A 80 6.607 -5.192 -12.789 1.00 60.35 C ATOM 1236 O ALA A 80 6.248 -5.936 -13.702 1.00 24.24 O ATOM 1237 CB ALA A 80 7.919 -3.544 -14.161 1.00 1.13 C ATOM 0 H ALA A 80 9.655 -5.238 -13.706 1.00 4.15 H new ATOM 0 HA ALA A 80 7.956 -3.731 -12.020 1.00 71.34 H new ATOM 0 HB1 ALA A 80 7.032 -2.911 -14.181 1.00 1.13 H new ATOM 0 HB2 ALA A 80 8.812 -2.919 -14.180 1.00 1.13 H new ATOM 0 HB3 ALA A 80 7.917 -4.200 -15.032 1.00 1.13 H new ATOM 1243 N SER A 81 5.917 -5.037 -11.663 1.00 54.52 N ATOM 1244 CA SER A 81 4.592 -5.646 -11.439 1.00 5.14 C ATOM 1245 C SER A 81 4.632 -7.188 -11.348 1.00 2.14 C ATOM 1246 O SER A 81 4.199 -7.891 -12.265 1.00 61.30 O ATOM 1247 CB SER A 81 3.593 -5.202 -12.522 1.00 34.32 C ATOM 1248 OG SER A 81 3.396 -3.794 -12.498 1.00 42.42 O ATOM 0 H SER A 81 6.254 -4.486 -10.873 1.00 54.52 H new ATOM 0 HA SER A 81 4.257 -5.284 -10.467 1.00 5.14 H new ATOM 0 HB2 SER A 81 3.960 -5.503 -13.503 1.00 34.32 H new ATOM 0 HB3 SER A 81 2.639 -5.707 -12.369 1.00 34.32 H new ATOM 0 HG SER A 81 2.449 -3.594 -12.649 1.00 42.42 H new ATOM 1254 N PRO A 82 5.186 -7.723 -10.236 1.00 65.42 N ATOM 1255 CA PRO A 82 5.079 -9.167 -9.868 1.00 70.40 C ATOM 1256 C PRO A 82 3.600 -9.665 -9.900 1.00 64.42 C ATOM 1257 O PRO A 82 2.696 -8.830 -9.945 1.00 0.33 O ATOM 1258 CB PRO A 82 5.679 -9.172 -8.471 1.00 64.02 C ATOM 1259 CG PRO A 82 6.652 -8.047 -8.468 1.00 64.35 C ATOM 1260 CD PRO A 82 5.995 -6.966 -9.266 1.00 63.04 C ATOM 0 HA PRO A 82 5.586 -9.845 -10.554 1.00 70.40 H new ATOM 0 HB2 PRO A 82 4.911 -9.032 -7.711 1.00 64.02 H new ATOM 0 HB3 PRO A 82 6.171 -10.120 -8.256 1.00 64.02 H new ATOM 0 HG2 PRO A 82 6.867 -7.713 -7.453 1.00 64.35 H new ATOM 0 HG3 PRO A 82 7.601 -8.345 -8.913 1.00 64.35 H new ATOM 0 HD2 PRO A 82 5.378 -6.320 -8.641 1.00 63.04 H new ATOM 0 HD3 PRO A 82 6.726 -6.327 -9.761 1.00 63.04 H new ATOM 1268 N PRO A 83 3.257 -11.003 -9.854 1.00 13.12 N ATOM 1269 CA PRO A 83 3.807 -12.157 -9.097 1.00 45.24 C ATOM 1270 C PRO A 83 4.782 -11.970 -7.911 1.00 52.43 C ATOM 1271 O PRO A 83 5.907 -12.473 -7.924 1.00 31.34 O ATOM 1272 CB PRO A 83 4.346 -12.954 -10.270 1.00 32.42 C ATOM 1273 CG PRO A 83 3.240 -12.790 -11.304 1.00 20.10 C ATOM 1274 CD PRO A 83 2.366 -11.617 -10.831 1.00 4.24 C ATOM 0 HA PRO A 83 3.049 -12.615 -8.462 1.00 45.24 H new ATOM 0 HB2 PRO A 83 5.298 -12.561 -10.626 1.00 32.42 H new ATOM 0 HB3 PRO A 83 4.510 -14.000 -10.011 1.00 32.42 H new ATOM 0 HG2 PRO A 83 3.658 -12.588 -12.290 1.00 20.10 H new ATOM 0 HG3 PRO A 83 2.650 -13.703 -11.389 1.00 20.10 H new ATOM 0 HD2 PRO A 83 2.109 -10.937 -11.643 1.00 4.24 H new ATOM 0 HD3 PRO A 83 1.429 -11.951 -10.386 1.00 4.24 H new ATOM 1282 N THR A 84 4.279 -11.261 -6.879 1.00 22.33 N ATOM 1283 CA THR A 84 4.809 -11.252 -5.481 1.00 65.51 C ATOM 1284 C THR A 84 4.452 -9.924 -4.792 1.00 22.24 C ATOM 1285 O THR A 84 3.866 -9.906 -3.711 1.00 74.35 O ATOM 1286 CB THR A 84 6.344 -11.527 -5.311 1.00 62.35 C ATOM 1287 OG1 THR A 84 6.673 -11.568 -3.913 1.00 41.24 O ATOM 1288 CG2 THR A 84 7.232 -10.487 -5.984 1.00 12.31 C ATOM 0 H THR A 84 3.465 -10.656 -6.990 1.00 22.33 H new ATOM 0 HA THR A 84 4.320 -12.104 -5.008 1.00 65.51 H new ATOM 0 HB THR A 84 6.536 -12.483 -5.799 1.00 62.35 H new ATOM 0 HG1 THR A 84 6.870 -10.662 -3.597 1.00 41.24 H new ATOM 0 HG21 THR A 84 8.279 -10.744 -5.823 1.00 12.31 H new ATOM 0 HG22 THR A 84 7.023 -10.468 -7.054 1.00 12.31 H new ATOM 0 HG23 THR A 84 7.030 -9.505 -5.557 1.00 12.31 H new ATOM 1296 N ASP A 85 4.801 -8.820 -5.443 1.00 63.22 N ATOM 1297 CA ASP A 85 4.447 -7.471 -4.994 1.00 60.12 C ATOM 1298 C ASP A 85 3.971 -6.638 -6.203 1.00 30.44 C ATOM 1299 O ASP A 85 3.611 -7.205 -7.230 1.00 52.34 O ATOM 1300 CB ASP A 85 5.664 -6.824 -4.322 1.00 30.43 C ATOM 1301 CG ASP A 85 6.186 -7.654 -3.158 1.00 43.25 C ATOM 1302 OD1 ASP A 85 5.613 -7.565 -2.053 1.00 63.21 O ATOM 1303 OD2 ASP A 85 7.171 -8.403 -3.345 1.00 42.24 O ATOM 0 H ASP A 85 5.343 -8.832 -6.307 1.00 63.22 H new ATOM 0 HA ASP A 85 3.636 -7.517 -4.267 1.00 60.12 H new ATOM 0 HB2 ASP A 85 6.457 -6.694 -5.058 1.00 30.43 H new ATOM 0 HB3 ASP A 85 5.394 -5.830 -3.965 1.00 30.43 H new ATOM 1308 N LEU A 86 3.961 -5.306 -6.095 1.00 50.00 N ATOM 1309 CA LEU A 86 3.550 -4.445 -7.225 1.00 22.01 C ATOM 1310 C LEU A 86 4.400 -3.165 -7.316 1.00 34.45 C ATOM 1311 O LEU A 86 4.800 -2.595 -6.303 1.00 11.31 O ATOM 1312 CB LEU A 86 2.060 -4.070 -7.110 1.00 23.11 C ATOM 1313 CG LEU A 86 1.059 -5.212 -7.364 1.00 11.02 C ATOM 1314 CD1 LEU A 86 -0.372 -4.735 -7.129 1.00 14.01 C ATOM 1315 CD2 LEU A 86 1.218 -5.765 -8.782 1.00 41.14 C ATOM 0 H LEU A 86 4.228 -4.799 -5.251 1.00 50.00 H new ATOM 0 HA LEU A 86 3.710 -5.021 -8.136 1.00 22.01 H new ATOM 0 HB2 LEU A 86 1.881 -3.671 -6.111 1.00 23.11 H new ATOM 0 HB3 LEU A 86 1.852 -3.266 -7.816 1.00 23.11 H new ATOM 0 HG LEU A 86 1.272 -6.016 -6.659 1.00 11.02 H new ATOM 0 HD11 LEU A 86 -1.064 -5.556 -7.314 1.00 14.01 H new ATOM 0 HD12 LEU A 86 -0.478 -4.396 -6.099 1.00 14.01 H new ATOM 0 HD13 LEU A 86 -0.597 -3.912 -7.807 1.00 14.01 H new ATOM 0 HD21 LEU A 86 0.501 -6.571 -8.941 1.00 41.14 H new ATOM 0 HD22 LEU A 86 1.036 -4.970 -9.505 1.00 41.14 H new ATOM 0 HD23 LEU A 86 2.230 -6.149 -8.912 1.00 41.14 H new ATOM 1327 N ILE A 87 4.675 -2.719 -8.544 1.00 15.12 N ATOM 1328 CA ILE A 87 5.430 -1.477 -8.774 1.00 1.01 C ATOM 1329 C ILE A 87 4.503 -0.350 -9.269 1.00 2.23 C ATOM 1330 O ILE A 87 3.803 -0.497 -10.273 1.00 23.23 O ATOM 1331 CB ILE A 87 6.595 -1.682 -9.795 1.00 11.40 C ATOM 1332 CG1 ILE A 87 7.796 -2.403 -9.141 1.00 31.34 C ATOM 1333 CG2 ILE A 87 7.050 -0.345 -10.394 1.00 4.15 C ATOM 1334 CD1 ILE A 87 7.516 -3.822 -8.688 1.00 72.03 C ATOM 0 H ILE A 87 4.387 -3.197 -9.398 1.00 15.12 H new ATOM 0 HA ILE A 87 5.862 -1.191 -7.815 1.00 1.01 H new ATOM 0 HB ILE A 87 6.211 -2.310 -10.599 1.00 11.40 H new ATOM 0 HG12 ILE A 87 8.622 -2.420 -9.852 1.00 31.34 H new ATOM 0 HG13 ILE A 87 8.127 -1.821 -8.281 1.00 31.34 H new ATOM 0 HG21 ILE A 87 7.861 -0.520 -11.100 1.00 4.15 H new ATOM 0 HG22 ILE A 87 6.214 0.125 -10.911 1.00 4.15 H new ATOM 0 HG23 ILE A 87 7.399 0.311 -9.596 1.00 4.15 H new ATOM 0 HD11 ILE A 87 8.416 -4.246 -8.242 1.00 72.03 H new ATOM 0 HD12 ILE A 87 6.714 -3.817 -7.950 1.00 72.03 H new ATOM 0 HD13 ILE A 87 7.217 -4.425 -9.545 1.00 72.03 H new ATOM 1346 N TRP A 88 4.504 0.769 -8.551 1.00 22.33 N ATOM 1347 CA TRP A 88 3.716 1.948 -8.927 1.00 44.11 C ATOM 1348 C TRP A 88 4.291 2.595 -10.204 1.00 14.12 C ATOM 1349 O TRP A 88 5.167 3.454 -10.137 1.00 0.22 O ATOM 1350 CB TRP A 88 3.720 2.955 -7.761 1.00 65.40 C ATOM 1351 CG TRP A 88 2.693 4.050 -7.856 1.00 53.23 C ATOM 1352 CD1 TRP A 88 2.100 4.546 -8.982 1.00 11.13 C ATOM 1353 CD2 TRP A 88 2.153 4.797 -6.759 1.00 74.14 C ATOM 1354 NE1 TRP A 88 1.220 5.546 -8.651 1.00 51.23 N ATOM 1355 CE2 TRP A 88 1.236 5.721 -7.292 1.00 20.23 C ATOM 1356 CE3 TRP A 88 2.357 4.771 -5.378 1.00 41.15 C ATOM 1357 CZ2 TRP A 88 0.525 6.610 -6.491 1.00 52.24 C ATOM 1358 CZ3 TRP A 88 1.649 5.654 -4.583 1.00 11.12 C ATOM 1359 CH2 TRP A 88 0.743 6.563 -5.142 1.00 15.23 C ATOM 0 H TRP A 88 5.047 0.888 -7.696 1.00 22.33 H new ATOM 0 HA TRP A 88 2.690 1.645 -9.135 1.00 44.11 H new ATOM 0 HB2 TRP A 88 3.561 2.410 -6.831 1.00 65.40 H new ATOM 0 HB3 TRP A 88 4.708 3.410 -7.699 1.00 65.40 H new ATOM 0 HD1 TRP A 88 2.295 4.201 -9.987 1.00 11.13 H new ATOM 0 HE1 TRP A 88 0.647 6.073 -9.310 1.00 51.23 H new ATOM 0 HE3 TRP A 88 3.055 4.074 -4.938 1.00 41.15 H new ATOM 0 HZ2 TRP A 88 -0.174 7.312 -6.920 1.00 52.24 H new ATOM 0 HZ3 TRP A 88 1.798 5.642 -3.513 1.00 11.12 H new ATOM 0 HH2 TRP A 88 0.206 7.241 -4.495 1.00 15.23 H new ATOM 1370 N LYS A 89 3.793 2.178 -11.369 1.00 4.03 N ATOM 1371 CA LYS A 89 4.327 2.653 -12.659 1.00 45.11 C ATOM 1372 C LYS A 89 3.782 4.040 -13.057 1.00 64.44 C ATOM 1373 O LYS A 89 3.839 4.427 -14.224 1.00 11.41 O ATOM 1374 CB LYS A 89 4.022 1.626 -13.762 1.00 15.13 C ATOM 1375 CG LYS A 89 4.687 0.269 -13.539 1.00 72.02 C ATOM 1376 CD LYS A 89 4.441 -0.708 -14.695 1.00 71.10 C ATOM 1377 CE LYS A 89 3.029 -1.301 -14.686 1.00 13.32 C ATOM 1378 NZ LYS A 89 1.969 -0.293 -14.959 1.00 53.33 N ATOM 0 H LYS A 89 3.023 1.514 -11.452 1.00 4.03 H new ATOM 0 HA LYS A 89 5.405 2.760 -12.540 1.00 45.11 H new ATOM 0 HB2 LYS A 89 2.943 1.486 -13.827 1.00 15.13 H new ATOM 0 HB3 LYS A 89 4.349 2.028 -14.721 1.00 15.13 H new ATOM 0 HG2 LYS A 89 5.760 0.412 -13.411 1.00 72.02 H new ATOM 0 HG3 LYS A 89 4.311 -0.167 -12.614 1.00 72.02 H new ATOM 0 HD2 LYS A 89 4.607 -0.192 -15.641 1.00 71.10 H new ATOM 0 HD3 LYS A 89 5.169 -1.517 -14.641 1.00 71.10 H new ATOM 0 HE2 LYS A 89 2.970 -2.093 -15.433 1.00 13.32 H new ATOM 0 HE3 LYS A 89 2.842 -1.762 -13.716 1.00 13.32 H new ATOM 0 HZ1 LYS A 89 1.202 -0.735 -15.505 1.00 53.33 H new ATOM 0 HZ2 LYS A 89 1.591 0.066 -14.059 1.00 53.33 H new ATOM 0 HZ3 LYS A 89 2.372 0.496 -15.504 1.00 53.33 H new ATOM 1392 N ASN A 90 3.281 4.800 -12.085 1.00 11.32 N ATOM 1393 CA ASN A 90 2.734 6.143 -12.353 1.00 4.45 C ATOM 1394 C ASN A 90 3.332 7.210 -11.417 1.00 74.21 C ATOM 1395 O ASN A 90 2.991 8.391 -11.517 1.00 44.10 O ATOM 1396 CB ASN A 90 1.206 6.138 -12.200 1.00 2.03 C ATOM 1397 CG ASN A 90 0.500 5.210 -13.176 1.00 34.03 C ATOM 1398 OD1 ASN A 90 -0.557 4.666 -12.877 1.00 52.11 O ATOM 1399 ND2 ASN A 90 1.071 5.021 -14.348 1.00 21.30 N ATOM 0 H ASN A 90 3.239 4.517 -11.106 1.00 11.32 H new ATOM 0 HA ASN A 90 3.006 6.398 -13.377 1.00 4.45 H new ATOM 0 HB2 ASN A 90 0.952 5.842 -11.182 1.00 2.03 H new ATOM 0 HB3 ASN A 90 0.832 7.152 -12.340 1.00 2.03 H new ATOM 0 HD21 ASN A 90 0.633 4.408 -15.036 1.00 21.30 H new ATOM 0 HD22 ASN A 90 1.951 5.488 -14.568 1.00 21.30 H new ATOM 1406 N GLN A 91 4.228 6.801 -10.522 1.00 72.00 N ATOM 1407 CA GLN A 91 4.743 7.703 -9.483 1.00 53.51 C ATOM 1408 C GLN A 91 6.063 7.159 -8.902 1.00 33.05 C ATOM 1409 O GLN A 91 6.138 6.004 -8.486 1.00 22.14 O ATOM 1410 CB GLN A 91 3.665 7.860 -8.393 1.00 44.33 C ATOM 1411 CG GLN A 91 3.728 9.155 -7.587 1.00 2.25 C ATOM 1412 CD GLN A 91 4.799 9.156 -6.513 1.00 75.33 C ATOM 1413 OE1 GLN A 91 4.570 8.703 -5.398 1.00 42.55 O ATOM 1414 NE2 GLN A 91 5.950 9.712 -6.817 1.00 2.41 N ATOM 0 H GLN A 91 4.614 5.857 -10.491 1.00 72.00 H new ATOM 0 HA GLN A 91 4.962 8.682 -9.910 1.00 53.51 H new ATOM 0 HB2 GLN A 91 2.684 7.793 -8.864 1.00 44.33 H new ATOM 0 HB3 GLN A 91 3.745 7.019 -7.704 1.00 44.33 H new ATOM 0 HG2 GLN A 91 3.908 9.987 -8.268 1.00 2.25 H new ATOM 0 HG3 GLN A 91 2.758 9.329 -7.120 1.00 2.25 H new ATOM 0 HE21 GLN A 91 6.107 10.079 -7.756 1.00 2.41 H new ATOM 0 HE22 GLN A 91 6.687 9.776 -6.114 1.00 2.41 H new ATOM 1423 N ASN A 92 7.101 8.000 -8.888 1.00 23.52 N ATOM 1424 CA ASN A 92 8.457 7.580 -8.490 1.00 3.01 C ATOM 1425 C ASN A 92 8.698 7.684 -6.969 1.00 15.43 C ATOM 1426 O ASN A 92 7.870 8.202 -6.227 1.00 64.25 O ATOM 1427 CB ASN A 92 9.490 8.434 -9.237 1.00 44.40 C ATOM 1428 CG ASN A 92 9.432 8.252 -10.745 1.00 32.31 C ATOM 1429 OD1 ASN A 92 8.394 7.923 -11.315 1.00 0.00 O ATOM 1430 ND2 ASN A 92 10.544 8.482 -11.411 1.00 31.51 N ATOM 0 H ASN A 92 7.032 8.984 -9.149 1.00 23.52 H new ATOM 0 HA ASN A 92 8.562 6.528 -8.755 1.00 3.01 H new ATOM 0 HB2 ASN A 92 9.327 9.485 -8.997 1.00 44.40 H new ATOM 0 HB3 ASN A 92 10.489 8.178 -8.884 1.00 44.40 H new ATOM 0 HD21 ASN A 92 10.559 8.389 -12.427 1.00 31.51 H new ATOM 0 HD22 ASN A 92 11.391 8.754 -10.911 1.00 31.51 H new ATOM 1437 N SER A 93 9.853 7.179 -6.520 1.00 61.40 N ATOM 1438 CA SER A 93 10.253 7.255 -5.098 1.00 4.34 C ATOM 1439 C SER A 93 10.052 8.671 -4.533 1.00 54.32 C ATOM 1440 O SER A 93 10.559 9.650 -5.089 1.00 41.21 O ATOM 1441 CB SER A 93 11.722 6.833 -4.931 1.00 64.05 C ATOM 1442 OG SER A 93 12.165 6.992 -3.591 1.00 55.15 O ATOM 0 H SER A 93 10.533 6.711 -7.118 1.00 61.40 H new ATOM 0 HA SER A 93 9.615 6.570 -4.539 1.00 4.34 H new ATOM 0 HB2 SER A 93 11.838 5.792 -5.231 1.00 64.05 H new ATOM 0 HB3 SER A 93 12.349 7.428 -5.595 1.00 64.05 H new ATOM 0 HG SER A 93 11.428 6.791 -2.977 1.00 55.15 H new ATOM 1448 N TRP A 94 9.314 8.775 -3.431 1.00 0.44 N ATOM 1449 CA TRP A 94 8.942 10.080 -2.872 1.00 1.03 C ATOM 1450 C TRP A 94 9.936 10.570 -1.811 1.00 65.12 C ATOM 1451 O TRP A 94 10.145 11.775 -1.664 1.00 20.23 O ATOM 1452 CB TRP A 94 7.522 10.025 -2.281 1.00 75.32 C ATOM 1453 CG TRP A 94 7.359 9.057 -1.140 1.00 44.53 C ATOM 1454 CD1 TRP A 94 7.489 9.324 0.195 1.00 22.53 C ATOM 1455 CD2 TRP A 94 7.030 7.665 -1.235 1.00 21.14 C ATOM 1456 NE1 TRP A 94 7.262 8.188 0.930 1.00 74.44 N ATOM 1457 CE2 TRP A 94 6.979 7.157 0.076 1.00 71.03 C ATOM 1458 CE3 TRP A 94 6.773 6.801 -2.304 1.00 52.31 C ATOM 1459 CZ2 TRP A 94 6.680 5.825 0.348 1.00 13.25 C ATOM 1460 CZ3 TRP A 94 6.478 5.479 -2.032 1.00 3.10 C ATOM 1461 CH2 TRP A 94 6.434 5.003 -0.717 1.00 24.41 C ATOM 0 H TRP A 94 8.960 7.976 -2.905 1.00 0.44 H new ATOM 0 HA TRP A 94 8.967 10.796 -3.693 1.00 1.03 H new ATOM 0 HB2 TRP A 94 7.246 11.022 -1.938 1.00 75.32 H new ATOM 0 HB3 TRP A 94 6.823 9.756 -3.072 1.00 75.32 H new ATOM 0 HD1 TRP A 94 7.735 10.290 0.611 1.00 22.53 H new ATOM 0 HE1 TRP A 94 7.298 8.123 1.947 1.00 74.44 H new ATOM 0 HE3 TRP A 94 6.804 7.160 -3.322 1.00 52.31 H new ATOM 0 HZ2 TRP A 94 6.644 5.455 1.362 1.00 13.25 H new ATOM 0 HZ3 TRP A 94 6.278 4.801 -2.849 1.00 3.10 H new ATOM 0 HH2 TRP A 94 6.201 3.964 -0.539 1.00 24.41 H new ATOM 1472 N GLY A 95 10.556 9.642 -1.084 1.00 2.35 N ATOM 1473 CA GLY A 95 11.416 10.020 0.033 1.00 21.14 C ATOM 1474 C GLY A 95 10.611 10.507 1.239 1.00 72.41 C ATOM 1475 O GLY A 95 10.142 11.649 1.261 1.00 61.25 O ATOM 0 H GLY A 95 10.480 8.638 -1.246 1.00 2.35 H new ATOM 0 HA2 GLY A 95 12.026 9.165 0.326 1.00 21.14 H new ATOM 0 HA3 GLY A 95 12.101 10.806 -0.287 1.00 21.14 H new ATOM 1479 N THR A 96 10.460 9.653 2.254 1.00 52.10 N ATOM 1480 CA THR A 96 9.541 9.934 3.374 1.00 3.33 C ATOM 1481 C THR A 96 10.133 10.902 4.416 1.00 2.41 C ATOM 1482 O THR A 96 9.765 10.862 5.591 1.00 43.05 O ATOM 1483 CB THR A 96 9.087 8.627 4.079 1.00 32.22 C ATOM 1484 OG1 THR A 96 8.072 8.911 5.057 1.00 60.21 O ATOM 1485 CG2 THR A 96 10.258 7.919 4.750 1.00 4.11 C ATOM 0 H THR A 96 10.956 8.765 2.329 1.00 52.10 H new ATOM 0 HA THR A 96 8.676 10.422 2.925 1.00 3.33 H new ATOM 0 HB THR A 96 8.679 7.967 3.313 1.00 32.22 H new ATOM 0 HG1 THR A 96 8.316 9.718 5.557 1.00 60.21 H new ATOM 0 HG21 THR A 96 9.904 7.008 5.233 1.00 4.11 H new ATOM 0 HG22 THR A 96 11.007 7.664 4.000 1.00 4.11 H new ATOM 0 HG23 THR A 96 10.702 8.577 5.497 1.00 4.11 H new ATOM 1493 N GLY A 97 11.035 11.788 3.983 1.00 32.52 N ATOM 1494 CA GLY A 97 11.475 12.883 4.847 1.00 55.22 C ATOM 1495 C GLY A 97 10.281 13.677 5.369 1.00 42.35 C ATOM 1496 O GLY A 97 10.246 14.101 6.527 1.00 11.34 O ATOM 0 H GLY A 97 11.466 11.769 3.059 1.00 32.52 H new ATOM 0 HA2 GLY A 97 12.046 12.483 5.685 1.00 55.22 H new ATOM 0 HA3 GLY A 97 12.142 13.543 4.293 1.00 55.22 H new ATOM 1500 N GLU A 98 9.301 13.876 4.489 1.00 61.00 N ATOM 1501 CA GLU A 98 7.977 14.362 4.880 1.00 3.21 C ATOM 1502 C GLU A 98 7.087 13.172 5.261 1.00 72.01 C ATOM 1503 O GLU A 98 6.906 12.253 4.460 1.00 73.14 O ATOM 1504 CB GLU A 98 7.333 15.141 3.724 1.00 31.30 C ATOM 1505 CG GLU A 98 8.043 16.441 3.374 1.00 22.43 C ATOM 1506 CD GLU A 98 7.996 17.458 4.504 1.00 24.21 C ATOM 1507 OE1 GLU A 98 6.889 17.935 4.833 1.00 72.14 O ATOM 1508 OE2 GLU A 98 9.061 17.795 5.058 1.00 21.21 O ATOM 0 H GLU A 98 9.401 13.706 3.488 1.00 61.00 H new ATOM 0 HA GLU A 98 8.082 15.028 5.736 1.00 3.21 H new ATOM 0 HB2 GLU A 98 7.310 14.504 2.840 1.00 31.30 H new ATOM 0 HB3 GLU A 98 6.298 15.364 3.983 1.00 31.30 H new ATOM 0 HG2 GLU A 98 9.083 16.227 3.126 1.00 22.43 H new ATOM 0 HG3 GLU A 98 7.585 16.872 2.484 1.00 22.43 H new ATOM 1515 N ASP A 99 6.539 13.191 6.473 1.00 11.22 N ATOM 1516 CA ASP A 99 5.730 12.077 6.982 1.00 72.03 C ATOM 1517 C ASP A 99 4.595 11.682 6.017 1.00 73.44 C ATOM 1518 O ASP A 99 3.553 12.342 5.945 1.00 35.15 O ATOM 1519 CB ASP A 99 5.170 12.431 8.361 1.00 31.11 C ATOM 1520 CG ASP A 99 6.279 12.590 9.383 1.00 14.10 C ATOM 1521 OD1 ASP A 99 6.947 13.651 9.379 1.00 1.00 O ATOM 1522 OD2 ASP A 99 6.508 11.648 10.168 1.00 45.25 O ATOM 0 H ASP A 99 6.639 13.968 7.127 1.00 11.22 H new ATOM 0 HA ASP A 99 6.383 11.208 7.067 1.00 72.03 H new ATOM 0 HB2 ASP A 99 4.597 13.356 8.296 1.00 31.11 H new ATOM 0 HB3 ASP A 99 4.481 11.652 8.687 1.00 31.11 H new ATOM 1527 N VAL A 100 4.822 10.595 5.279 1.00 33.12 N ATOM 1528 CA VAL A 100 3.860 10.089 4.299 1.00 20.42 C ATOM 1529 C VAL A 100 2.635 9.450 4.982 1.00 3.05 C ATOM 1530 O VAL A 100 2.758 8.764 6.001 1.00 25.02 O ATOM 1531 CB VAL A 100 4.534 9.064 3.344 1.00 62.51 C ATOM 1532 CG1 VAL A 100 5.143 7.906 4.129 1.00 13.25 C ATOM 1533 CG2 VAL A 100 3.548 8.546 2.298 1.00 0.21 C ATOM 0 H VAL A 100 5.676 10.041 5.343 1.00 33.12 H new ATOM 0 HA VAL A 100 3.513 10.942 3.715 1.00 20.42 H new ATOM 0 HB VAL A 100 5.337 9.582 2.819 1.00 62.51 H new ATOM 0 HG11 VAL A 100 5.608 7.203 3.438 1.00 13.25 H new ATOM 0 HG12 VAL A 100 5.896 8.289 4.818 1.00 13.25 H new ATOM 0 HG13 VAL A 100 4.361 7.397 4.692 1.00 13.25 H new ATOM 0 HG21 VAL A 100 4.051 7.832 1.646 1.00 0.21 H new ATOM 0 HG22 VAL A 100 2.712 8.056 2.797 1.00 0.21 H new ATOM 0 HG23 VAL A 100 3.177 9.381 1.703 1.00 0.21 H new ATOM 1543 N LYS A 101 1.455 9.691 4.415 1.00 23.23 N ATOM 1544 CA LYS A 101 0.195 9.179 4.967 1.00 41.42 C ATOM 1545 C LYS A 101 -0.577 8.372 3.914 1.00 64.12 C ATOM 1546 O LYS A 101 -0.983 8.908 2.884 1.00 54.33 O ATOM 1547 CB LYS A 101 -0.658 10.353 5.468 1.00 2.02 C ATOM 1548 CG LYS A 101 -1.958 9.936 6.156 1.00 61.43 C ATOM 1549 CD LYS A 101 -2.723 11.143 6.695 1.00 13.05 C ATOM 1550 CE LYS A 101 -1.892 11.940 7.697 1.00 23.04 C ATOM 1551 NZ LYS A 101 -2.640 13.102 8.241 1.00 44.32 N ATOM 0 H LYS A 101 1.341 10.243 3.565 1.00 23.23 H new ATOM 0 HA LYS A 101 0.422 8.514 5.800 1.00 41.42 H new ATOM 0 HB2 LYS A 101 -0.066 10.946 6.165 1.00 2.02 H new ATOM 0 HB3 LYS A 101 -0.898 10.999 4.624 1.00 2.02 H new ATOM 0 HG2 LYS A 101 -2.586 9.393 5.450 1.00 61.43 H new ATOM 0 HG3 LYS A 101 -1.734 9.252 6.974 1.00 61.43 H new ATOM 0 HD2 LYS A 101 -3.012 11.790 5.867 1.00 13.05 H new ATOM 0 HD3 LYS A 101 -3.643 10.806 7.172 1.00 13.05 H new ATOM 0 HE2 LYS A 101 -1.589 11.288 8.516 1.00 23.04 H new ATOM 0 HE3 LYS A 101 -0.980 12.290 7.214 1.00 23.04 H new ATOM 0 HZ1 LYS A 101 -2.040 13.616 8.917 1.00 44.32 H new ATOM 0 HZ2 LYS A 101 -2.907 13.738 7.463 1.00 44.32 H new ATOM 0 HZ3 LYS A 101 -3.498 12.767 8.725 1.00 44.32 H new ATOM 1565 N VAL A 102 -0.776 7.086 4.178 1.00 53.24 N ATOM 1566 CA VAL A 102 -1.421 6.185 3.218 1.00 53.22 C ATOM 1567 C VAL A 102 -2.907 5.953 3.551 1.00 54.32 C ATOM 1568 O VAL A 102 -3.254 5.522 4.656 1.00 4.32 O ATOM 1569 CB VAL A 102 -0.685 4.826 3.166 1.00 54.30 C ATOM 1570 CG1 VAL A 102 -1.324 3.896 2.141 1.00 74.51 C ATOM 1571 CG2 VAL A 102 0.799 5.033 2.868 1.00 20.42 C ATOM 0 H VAL A 102 -0.500 6.638 5.052 1.00 53.24 H new ATOM 0 HA VAL A 102 -1.364 6.668 2.243 1.00 53.22 H new ATOM 0 HB VAL A 102 -0.774 4.352 4.144 1.00 54.30 H new ATOM 0 HG11 VAL A 102 -0.787 2.948 2.125 1.00 74.51 H new ATOM 0 HG12 VAL A 102 -2.365 3.719 2.410 1.00 74.51 H new ATOM 0 HG13 VAL A 102 -1.278 4.356 1.154 1.00 74.51 H new ATOM 0 HG21 VAL A 102 1.302 4.066 2.835 1.00 20.42 H new ATOM 0 HG22 VAL A 102 0.911 5.533 1.906 1.00 20.42 H new ATOM 0 HG23 VAL A 102 1.245 5.647 3.650 1.00 20.42 H new ATOM 1581 N ILE A 103 -3.775 6.246 2.585 1.00 42.21 N ATOM 1582 CA ILE A 103 -5.222 6.067 2.737 1.00 31.24 C ATOM 1583 C ILE A 103 -5.711 4.833 1.950 1.00 45.12 C ATOM 1584 O ILE A 103 -5.615 4.798 0.719 1.00 53.32 O ATOM 1585 CB ILE A 103 -5.991 7.317 2.226 1.00 32.55 C ATOM 1586 CG1 ILE A 103 -5.377 8.618 2.787 1.00 70.35 C ATOM 1587 CG2 ILE A 103 -7.473 7.221 2.583 1.00 31.21 C ATOM 1588 CD1 ILE A 103 -5.408 8.726 4.296 1.00 61.23 C ATOM 0 H ILE A 103 -3.498 6.614 1.675 1.00 42.21 H new ATOM 0 HA ILE A 103 -5.420 5.924 3.799 1.00 31.24 H new ATOM 0 HB ILE A 103 -5.900 7.346 1.140 1.00 32.55 H new ATOM 0 HG12 ILE A 103 -4.343 8.691 2.451 1.00 70.35 H new ATOM 0 HG13 ILE A 103 -5.910 9.469 2.363 1.00 70.35 H new ATOM 0 HG21 ILE A 103 -7.994 8.106 2.216 1.00 31.21 H new ATOM 0 HG22 ILE A 103 -7.901 6.331 2.122 1.00 31.21 H new ATOM 0 HG23 ILE A 103 -7.583 7.158 3.666 1.00 31.21 H new ATOM 0 HD11 ILE A 103 -4.957 9.670 4.603 1.00 61.23 H new ATOM 0 HD12 ILE A 103 -6.441 8.688 4.642 1.00 61.23 H new ATOM 0 HD13 ILE A 103 -4.849 7.898 4.732 1.00 61.23 H new ATOM 1600 N LEU A 104 -6.242 3.831 2.652 1.00 40.13 N ATOM 1601 CA LEU A 104 -6.723 2.600 2.003 1.00 53.41 C ATOM 1602 C LEU A 104 -8.231 2.659 1.711 1.00 44.21 C ATOM 1603 O LEU A 104 -9.058 2.577 2.626 1.00 10.41 O ATOM 1604 CB LEU A 104 -6.416 1.371 2.875 1.00 13.33 C ATOM 1605 CG LEU A 104 -4.925 1.084 3.117 1.00 22.21 C ATOM 1606 CD1 LEU A 104 -4.753 -0.199 3.929 1.00 20.23 C ATOM 1607 CD2 LEU A 104 -4.169 0.995 1.790 1.00 43.32 C ATOM 0 H LEU A 104 -6.352 3.842 3.666 1.00 40.13 H new ATOM 0 HA LEU A 104 -6.195 2.513 1.053 1.00 53.41 H new ATOM 0 HB2 LEU A 104 -6.904 1.502 3.841 1.00 13.33 H new ATOM 0 HB3 LEU A 104 -6.865 0.495 2.407 1.00 13.33 H new ATOM 0 HG LEU A 104 -4.503 1.910 3.690 1.00 22.21 H new ATOM 0 HD11 LEU A 104 -3.692 -0.387 4.091 1.00 20.23 H new ATOM 0 HD12 LEU A 104 -5.254 -0.090 4.891 1.00 20.23 H new ATOM 0 HD13 LEU A 104 -5.191 -1.036 3.385 1.00 20.23 H new ATOM 0 HD21 LEU A 104 -3.116 0.791 1.984 1.00 43.32 H new ATOM 0 HD22 LEU A 104 -4.589 0.191 1.185 1.00 43.32 H new ATOM 0 HD23 LEU A 104 -4.263 1.939 1.254 1.00 43.32 H new ATOM 1619 N LYS A 105 -8.582 2.801 0.433 1.00 33.40 N ATOM 1620 CA LYS A 105 -9.987 2.791 0.004 1.00 12.25 C ATOM 1621 C LYS A 105 -10.289 1.567 -0.882 1.00 31.12 C ATOM 1622 O LYS A 105 -9.480 1.184 -1.730 1.00 64.42 O ATOM 1623 CB LYS A 105 -10.329 4.085 -0.753 1.00 73.34 C ATOM 1624 CG LYS A 105 -10.164 5.358 0.083 1.00 1.45 C ATOM 1625 CD LYS A 105 -10.554 6.605 -0.707 1.00 1.43 C ATOM 1626 CE LYS A 105 -10.290 7.892 0.072 1.00 14.02 C ATOM 1627 NZ LYS A 105 -11.103 7.984 1.315 1.00 10.55 N ATOM 0 H LYS A 105 -7.914 2.925 -0.327 1.00 33.40 H new ATOM 0 HA LYS A 105 -10.607 2.729 0.898 1.00 12.25 H new ATOM 0 HB2 LYS A 105 -9.693 4.157 -1.635 1.00 73.34 H new ATOM 0 HB3 LYS A 105 -11.358 4.026 -1.107 1.00 73.34 H new ATOM 0 HG2 LYS A 105 -10.780 5.287 0.979 1.00 1.45 H new ATOM 0 HG3 LYS A 105 -9.129 5.445 0.413 1.00 1.45 H new ATOM 0 HD2 LYS A 105 -9.996 6.629 -1.643 1.00 1.43 H new ATOM 0 HD3 LYS A 105 -11.611 6.551 -0.968 1.00 1.43 H new ATOM 0 HE2 LYS A 105 -9.232 7.947 0.329 1.00 14.02 H new ATOM 0 HE3 LYS A 105 -10.508 8.749 -0.565 1.00 14.02 H new ATOM 0 HZ1 LYS A 105 -11.578 8.908 1.351 1.00 10.55 H new ATOM 0 HZ2 LYS A 105 -11.816 7.227 1.320 1.00 10.55 H new ATOM 0 HZ3 LYS A 105 -10.483 7.881 2.144 1.00 10.55 H new ATOM 1641 N ASN A 106 -11.457 0.960 -0.668 1.00 72.15 N ATOM 1642 CA ASN A 106 -11.894 -0.216 -1.432 1.00 30.15 C ATOM 1643 C ASN A 106 -12.088 0.099 -2.925 1.00 40.42 C ATOM 1644 O ASN A 106 -12.024 1.254 -3.349 1.00 30.40 O ATOM 1645 CB ASN A 106 -13.212 -0.750 -0.865 1.00 33.34 C ATOM 1646 CG ASN A 106 -13.137 -1.045 0.617 1.00 24.43 C ATOM 1647 OD1 ASN A 106 -13.385 -0.179 1.449 1.00 72.51 O ATOM 1648 ND2 ASN A 106 -12.806 -2.269 0.968 1.00 4.54 N ATOM 0 H ASN A 106 -12.127 1.266 0.037 1.00 72.15 H new ATOM 0 HA ASN A 106 -11.107 -0.965 -1.341 1.00 30.15 H new ATOM 0 HB2 ASN A 106 -14.002 -0.021 -1.046 1.00 33.34 H new ATOM 0 HB3 ASN A 106 -13.489 -1.659 -1.398 1.00 33.34 H new ATOM 0 HD21 ASN A 106 -12.750 -2.519 1.955 1.00 4.54 H new ATOM 0 HD22 ASN A 106 -12.605 -2.968 0.253 1.00 4.54 H new ATOM 1655 N SER A 107 -12.374 -0.944 -3.703 1.00 72.42 N ATOM 1656 CA SER A 107 -12.570 -0.817 -5.154 1.00 3.12 C ATOM 1657 C SER A 107 -13.681 0.189 -5.510 1.00 42.21 C ATOM 1658 O SER A 107 -13.661 0.793 -6.582 1.00 55.51 O ATOM 1659 CB SER A 107 -12.913 -2.187 -5.756 1.00 44.55 C ATOM 1660 OG SER A 107 -11.902 -3.148 -5.478 1.00 21.30 O ATOM 0 H SER A 107 -12.477 -1.896 -3.352 1.00 72.42 H new ATOM 0 HA SER A 107 -11.636 -0.442 -5.573 1.00 3.12 H new ATOM 0 HB2 SER A 107 -13.865 -2.533 -5.355 1.00 44.55 H new ATOM 0 HB3 SER A 107 -13.038 -2.090 -6.835 1.00 44.55 H new ATOM 0 HG SER A 107 -11.455 -2.919 -4.637 1.00 21.30 H new ATOM 1666 N GLN A 108 -14.656 0.358 -4.615 1.00 54.45 N ATOM 1667 CA GLN A 108 -15.785 1.270 -4.858 1.00 15.22 C ATOM 1668 C GLN A 108 -15.639 2.618 -4.120 1.00 21.32 C ATOM 1669 O GLN A 108 -16.626 3.319 -3.895 1.00 73.23 O ATOM 1670 CB GLN A 108 -17.100 0.587 -4.457 1.00 42.30 C ATOM 1671 CG GLN A 108 -17.443 -0.625 -5.320 1.00 55.14 C ATOM 1672 CD GLN A 108 -18.741 -1.297 -4.911 1.00 32.14 C ATOM 1673 OE1 GLN A 108 -19.653 -0.662 -4.399 1.00 42.32 O ATOM 1674 NE2 GLN A 108 -18.839 -2.587 -5.144 1.00 62.00 N ATOM 0 H GLN A 108 -14.690 -0.122 -3.716 1.00 54.45 H new ATOM 0 HA GLN A 108 -15.791 1.496 -5.924 1.00 15.22 H new ATOM 0 HB2 GLN A 108 -17.035 0.275 -3.415 1.00 42.30 H new ATOM 0 HB3 GLN A 108 -17.912 1.312 -4.523 1.00 42.30 H new ATOM 0 HG2 GLN A 108 -17.514 -0.313 -6.362 1.00 55.14 H new ATOM 0 HG3 GLN A 108 -16.631 -1.349 -5.259 1.00 55.14 H new ATOM 0 HE21 GLN A 108 -18.061 -3.088 -5.572 1.00 62.00 H new ATOM 0 HE22 GLN A 108 -19.693 -3.086 -4.897 1.00 62.00 H new ATOM 1683 N GLY A 109 -14.413 2.986 -3.747 1.00 43.41 N ATOM 1684 CA GLY A 109 -14.167 4.310 -3.165 1.00 32.21 C ATOM 1685 C GLY A 109 -14.340 4.379 -1.647 1.00 5.35 C ATOM 1686 O GLY A 109 -13.703 5.203 -0.988 1.00 32.02 O ATOM 0 H GLY A 109 -13.584 2.398 -3.835 1.00 43.41 H new ATOM 0 HA2 GLY A 109 -13.153 4.621 -3.417 1.00 32.21 H new ATOM 0 HA3 GLY A 109 -14.844 5.028 -3.628 1.00 32.21 H new ATOM 1690 N GLU A 110 -15.223 3.543 -1.098 1.00 74.35 N ATOM 1691 CA GLU A 110 -15.420 3.456 0.362 1.00 63.41 C ATOM 1692 C GLU A 110 -14.089 3.196 1.093 1.00 11.45 C ATOM 1693 O GLU A 110 -13.182 2.584 0.540 1.00 13.53 O ATOM 1694 CB GLU A 110 -16.456 2.364 0.686 1.00 12.23 C ATOM 1695 CG GLU A 110 -16.254 1.064 -0.087 1.00 65.14 C ATOM 1696 CD GLU A 110 -17.334 0.031 0.200 1.00 55.44 C ATOM 1697 OE1 GLU A 110 -18.495 0.241 -0.211 1.00 73.53 O ATOM 1698 OE2 GLU A 110 -17.029 -1.000 0.832 1.00 24.45 O ATOM 0 H GLU A 110 -15.817 2.913 -1.638 1.00 74.35 H new ATOM 0 HA GLU A 110 -15.800 4.414 0.718 1.00 63.41 H new ATOM 0 HB2 GLU A 110 -16.419 2.149 1.754 1.00 12.23 H new ATOM 0 HB3 GLU A 110 -17.453 2.750 0.473 1.00 12.23 H new ATOM 0 HG2 GLU A 110 -16.240 1.281 -1.155 1.00 65.14 H new ATOM 0 HG3 GLU A 110 -15.280 0.644 0.166 1.00 65.14 H new ATOM 1705 N GLU A 111 -13.971 3.671 2.331 1.00 63.11 N ATOM 1706 CA GLU A 111 -12.679 3.673 3.037 1.00 75.13 C ATOM 1707 C GLU A 111 -12.612 2.641 4.180 1.00 53.33 C ATOM 1708 O GLU A 111 -13.545 2.505 4.974 1.00 13.02 O ATOM 1709 CB GLU A 111 -12.405 5.081 3.581 1.00 2.41 C ATOM 1710 CG GLU A 111 -11.042 5.250 4.244 1.00 4.53 C ATOM 1711 CD GLU A 111 -10.785 6.685 4.673 1.00 40.25 C ATOM 1712 OE1 GLU A 111 -10.403 7.503 3.814 1.00 65.04 O ATOM 1713 OE2 GLU A 111 -10.985 7.004 5.862 1.00 25.14 O ATOM 0 H GLU A 111 -14.746 4.059 2.869 1.00 63.11 H new ATOM 0 HA GLU A 111 -11.913 3.385 2.317 1.00 75.13 H new ATOM 0 HB2 GLU A 111 -12.487 5.795 2.762 1.00 2.41 H new ATOM 0 HB3 GLU A 111 -13.180 5.334 4.304 1.00 2.41 H new ATOM 0 HG2 GLU A 111 -10.980 4.596 5.114 1.00 4.53 H new ATOM 0 HG3 GLU A 111 -10.262 4.935 3.551 1.00 4.53 H new ATOM 1720 N VAL A 112 -11.485 1.925 4.262 1.00 20.12 N ATOM 1721 CA VAL A 112 -11.260 0.934 5.323 1.00 21.12 C ATOM 1722 C VAL A 112 -10.431 1.517 6.480 1.00 34.20 C ATOM 1723 O VAL A 112 -10.852 1.478 7.639 1.00 63.31 O ATOM 1724 CB VAL A 112 -10.537 -0.324 4.775 1.00 40.00 C ATOM 1725 CG1 VAL A 112 -10.255 -1.329 5.893 1.00 1.31 C ATOM 1726 CG2 VAL A 112 -11.352 -0.971 3.661 1.00 44.22 C ATOM 0 H VAL A 112 -10.711 2.013 3.604 1.00 20.12 H new ATOM 0 HA VAL A 112 -12.245 0.654 5.697 1.00 21.12 H new ATOM 0 HB VAL A 112 -9.580 -0.007 4.361 1.00 40.00 H new ATOM 0 HG11 VAL A 112 -9.748 -2.201 5.479 1.00 1.31 H new ATOM 0 HG12 VAL A 112 -9.621 -0.865 6.648 1.00 1.31 H new ATOM 0 HG13 VAL A 112 -11.195 -1.639 6.349 1.00 1.31 H new ATOM 0 HG21 VAL A 112 -10.827 -1.852 3.291 1.00 44.22 H new ATOM 0 HG22 VAL A 112 -12.327 -1.266 4.048 1.00 44.22 H new ATOM 0 HG23 VAL A 112 -11.485 -0.259 2.847 1.00 44.22 H new ATOM 1736 N ALA A 113 -9.252 2.051 6.162 1.00 42.20 N ATOM 1737 CA ALA A 113 -8.343 2.577 7.187 1.00 43.44 C ATOM 1738 C ALA A 113 -7.313 3.551 6.602 1.00 63.33 C ATOM 1739 O ALA A 113 -7.179 3.678 5.383 1.00 55.11 O ATOM 1740 CB ALA A 113 -7.632 1.428 7.892 1.00 74.33 C ATOM 0 H ALA A 113 -8.902 2.132 5.207 1.00 42.20 H new ATOM 0 HA ALA A 113 -8.946 3.132 7.905 1.00 43.44 H new ATOM 0 HB1 ALA A 113 -6.959 1.827 8.651 1.00 74.33 H new ATOM 0 HB2 ALA A 113 -8.369 0.780 8.365 1.00 74.33 H new ATOM 0 HB3 ALA A 113 -7.058 0.854 7.164 1.00 74.33 H new ATOM 1746 N GLN A 114 -6.584 4.225 7.486 1.00 33.21 N ATOM 1747 CA GLN A 114 -5.560 5.193 7.080 1.00 21.34 C ATOM 1748 C GLN A 114 -4.457 5.316 8.148 1.00 62.43 C ATOM 1749 O GLN A 114 -4.741 5.422 9.342 1.00 4.13 O ATOM 1750 CB GLN A 114 -6.204 6.564 6.812 1.00 71.40 C ATOM 1751 CG GLN A 114 -7.067 7.083 7.957 1.00 51.41 C ATOM 1752 CD GLN A 114 -7.681 8.440 7.656 1.00 31.34 C ATOM 1753 OE1 GLN A 114 -7.097 9.478 7.948 1.00 54.22 O ATOM 1754 NE2 GLN A 114 -8.856 8.444 7.061 1.00 44.44 N ATOM 0 H GLN A 114 -6.682 4.120 8.496 1.00 33.21 H new ATOM 0 HA GLN A 114 -5.097 4.834 6.161 1.00 21.34 H new ATOM 0 HB2 GLN A 114 -5.416 7.289 6.608 1.00 71.40 H new ATOM 0 HB3 GLN A 114 -6.816 6.496 5.912 1.00 71.40 H new ATOM 0 HG2 GLN A 114 -7.862 6.366 8.162 1.00 51.41 H new ATOM 0 HG3 GLN A 114 -6.461 7.155 8.860 1.00 51.41 H new ATOM 0 HE21 GLN A 114 -9.315 7.562 6.832 1.00 44.44 H new ATOM 0 HE22 GLN A 114 -9.307 9.329 6.829 1.00 44.44 H new ATOM 1763 N ARG A 115 -3.199 5.308 7.711 1.00 55.23 N ATOM 1764 CA ARG A 115 -2.057 5.337 8.640 1.00 22.35 C ATOM 1765 C ARG A 115 -0.883 6.149 8.063 1.00 31.02 C ATOM 1766 O ARG A 115 -0.703 6.220 6.847 1.00 31.01 O ATOM 1767 CB ARG A 115 -1.599 3.898 8.944 1.00 74.25 C ATOM 1768 CG ARG A 115 -0.472 3.805 9.969 1.00 31.54 C ATOM 1769 CD ARG A 115 -0.014 2.366 10.192 1.00 74.04 C ATOM 1770 NE ARG A 115 1.033 2.288 11.207 1.00 44.32 N ATOM 1771 CZ ARG A 115 1.950 1.360 11.261 1.00 50.45 C ATOM 1772 NH1 ARG A 115 1.959 0.384 10.416 1.00 4.41 N ATOM 1773 NH2 ARG A 115 2.847 1.404 12.187 1.00 44.24 N ATOM 0 H ARG A 115 -2.939 5.282 6.725 1.00 55.23 H new ATOM 0 HA ARG A 115 -2.381 5.823 9.561 1.00 22.35 H new ATOM 0 HB2 ARG A 115 -2.453 3.325 9.306 1.00 74.25 H new ATOM 0 HB3 ARG A 115 -1.271 3.429 8.016 1.00 74.25 H new ATOM 0 HG2 ARG A 115 0.373 4.406 9.633 1.00 31.54 H new ATOM 0 HG3 ARG A 115 -0.808 4.229 10.915 1.00 31.54 H new ATOM 0 HD2 ARG A 115 -0.864 1.756 10.497 1.00 74.04 H new ATOM 0 HD3 ARG A 115 0.356 1.951 9.254 1.00 74.04 H new ATOM 0 HE ARG A 115 1.049 3.011 11.926 1.00 44.32 H new ATOM 0 HH11 ARG A 115 1.242 0.330 9.692 1.00 4.41 H new ATOM 0 HH12 ARG A 115 2.683 -0.333 10.472 1.00 4.41 H new ATOM 0 HH21 ARG A 115 2.837 2.160 12.871 1.00 44.24 H new ATOM 0 HH22 ARG A 115 3.566 0.682 12.235 1.00 44.24 H new ATOM 1787 N SER A 116 -0.085 6.758 8.941 1.00 51.04 N ATOM 1788 CA SER A 116 1.095 7.533 8.514 1.00 62.25 C ATOM 1789 C SER A 116 2.368 7.063 9.230 1.00 73.44 C ATOM 1790 O SER A 116 2.344 6.123 10.029 1.00 31.33 O ATOM 1791 CB SER A 116 0.890 9.033 8.790 1.00 1.34 C ATOM 1792 OG SER A 116 0.930 9.320 10.183 1.00 3.00 O ATOM 0 H SER A 116 -0.228 6.734 9.951 1.00 51.04 H new ATOM 0 HA SER A 116 1.214 7.369 7.443 1.00 62.25 H new ATOM 0 HB2 SER A 116 1.662 9.607 8.278 1.00 1.34 H new ATOM 0 HB3 SER A 116 -0.068 9.351 8.380 1.00 1.34 H new ATOM 0 HG SER A 116 0.798 10.281 10.323 1.00 3.00 H new ATOM 1798 N THR A 117 3.485 7.720 8.928 1.00 11.22 N ATOM 1799 CA THR A 117 4.758 7.450 9.607 1.00 31.34 C ATOM 1800 C THR A 117 4.829 8.145 10.976 1.00 22.52 C ATOM 1801 O THR A 117 3.862 8.766 11.430 1.00 4.02 O ATOM 1802 CB THR A 117 5.962 7.914 8.752 1.00 13.34 C ATOM 1803 OG1 THR A 117 5.823 9.303 8.418 1.00 4.13 O ATOM 1804 CG2 THR A 117 6.084 7.089 7.474 1.00 32.31 C ATOM 0 H THR A 117 3.538 8.447 8.215 1.00 11.22 H new ATOM 0 HA THR A 117 4.808 6.371 9.750 1.00 31.34 H new ATOM 0 HB THR A 117 6.867 7.769 9.342 1.00 13.34 H new ATOM 0 HG1 THR A 117 6.119 9.852 9.174 1.00 4.13 H new ATOM 0 HG21 THR A 117 6.939 7.439 6.895 1.00 32.31 H new ATOM 0 HG22 THR A 117 6.225 6.039 7.731 1.00 32.31 H new ATOM 0 HG23 THR A 117 5.175 7.199 6.882 1.00 32.31 H new ATOM 1812 N VAL A 118 5.980 8.020 11.639 1.00 24.22 N ATOM 1813 CA VAL A 118 6.212 8.662 12.941 1.00 62.15 C ATOM 1814 C VAL A 118 7.330 9.710 12.845 1.00 32.41 C ATOM 1815 O VAL A 118 8.389 9.449 12.269 1.00 3.02 O ATOM 1816 CB VAL A 118 6.584 7.621 14.028 1.00 14.25 C ATOM 1817 CG1 VAL A 118 6.749 8.290 15.394 1.00 21.01 C ATOM 1818 CG2 VAL A 118 5.534 6.515 14.092 1.00 71.30 C ATOM 0 H VAL A 118 6.773 7.477 11.296 1.00 24.22 H new ATOM 0 HA VAL A 118 5.280 9.151 13.225 1.00 62.15 H new ATOM 0 HB VAL A 118 7.540 7.173 13.756 1.00 14.25 H new ATOM 0 HG11 VAL A 118 7.010 7.538 16.138 1.00 21.01 H new ATOM 0 HG12 VAL A 118 7.541 9.037 15.340 1.00 21.01 H new ATOM 0 HG13 VAL A 118 5.814 8.773 15.678 1.00 21.01 H new ATOM 0 HG21 VAL A 118 5.812 5.794 14.860 1.00 71.30 H new ATOM 0 HG22 VAL A 118 4.564 6.948 14.335 1.00 71.30 H new ATOM 0 HG23 VAL A 118 5.476 6.012 13.127 1.00 71.30 H new