USER MOD reduce.3.24.130724 H: found=0, std=0, add=693, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 693 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 20 ASN : amide:sc= -1.72 K(o=-1.7,f=-9.1!) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 90:sc= 1.22 USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0.0159 USER MOD Single : A 45 ASN : amide:sc= -0.0755 K(o=-0.075,f=-0.8) USER MOD Single : A 46 THR OG1 : rot 160:sc=-0.00345 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0.00187 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 19:sc= -0.4 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0515) USER MOD Single : A 66 MET CE :methyl 174:sc= -0.0983 (180deg=-0.191) USER MOD Single : A 68 CYS SG : rot 180:sc= 0 USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 71 THR OG1 : rot 180:sc= -0.586 USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ -159:sc= 1.15 (180deg=0.774) USER MOD Single : A 78 MET CE :methyl 178:sc= 0 (180deg=-0.00644) USER MOD Single : A 79 TYR OH : rot -92:sc= 0.264 USER MOD Single : A 80 THR OG1 : rot 150:sc= -0.45 USER MOD Single : A 82 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 86 ASN : amide:sc= -1.21 K(o=-1.2,f=-5.1!) USER MOD Single : A 87 TYR OH : rot 35:sc= 1.04 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 ASN : amide:sc= -0.0184 X(o=-0.018,f=-0.018) USER MOD Single : A 98 HIS : no HD1:sc= -0.366 X(o=-0.37,f=-0.64) USER MOD Single : A 102 SER OG : rot 56:sc= 0.513 USER MOD Single : A 105 LYS NZ :NH3+ 152:sc= -1.6! (180deg=-3.4!) USER MOD Single : A 107 LYS NZ :NH3+ 167:sc= -0.0638 (180deg=-0.345) USER MOD Single : A 109 THR OG1 : rot 180:sc= 0 USER MOD Single : A 111 GLN : amide:sc= -0.129 K(o=-0.13,f=-1.3) USER MOD ----------------------------------------------------------------- ATOM 241 N ASN A 20 3.371 18.671 -0.472 1.00 0.00 N ATOM 242 CA ASN A 20 2.212 18.234 0.298 1.00 0.00 C ATOM 243 C ASN A 20 1.964 16.741 0.107 1.00 0.00 C ATOM 244 O ASN A 20 1.450 16.298 -0.920 1.00 0.00 O ATOM 245 CB ASN A 20 0.970 19.026 -0.117 1.00 0.00 C ATOM 246 CG ASN A 20 -0.227 18.727 0.765 1.00 0.00 C ATOM 247 OD1 ASN A 20 -0.184 17.829 1.605 1.00 0.00 O ATOM 248 ND2 ASN A 20 -1.304 19.480 0.575 1.00 0.00 N ATOM 0 HA ASN A 20 2.417 18.418 1.353 1.00 0.00 H new ATOM 0 HB2 ASN A 20 1.192 20.092 -0.075 1.00 0.00 H new ATOM 0 HB3 ASN A 20 0.722 18.792 -1.152 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -2.141 19.325 1.137 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -1.295 20.214 -0.133 1.00 0.00 H new ATOM 255 N PRO A 21 2.338 15.945 1.120 1.00 0.00 N ATOM 256 CA PRO A 21 2.164 14.489 1.088 1.00 0.00 C ATOM 257 C PRO A 21 0.699 14.078 1.176 1.00 0.00 C ATOM 258 O PRO A 21 0.309 13.025 0.672 1.00 0.00 O ATOM 259 CB PRO A 21 2.928 14.014 2.326 1.00 0.00 C ATOM 260 CG PRO A 21 2.916 15.183 3.250 1.00 0.00 C ATOM 261 CD PRO A 21 2.957 16.404 2.374 1.00 0.00 C ATOM 0 HA PRO A 21 2.525 14.056 0.155 1.00 0.00 H new ATOM 0 HB2 PRO A 21 2.448 13.146 2.779 1.00 0.00 H new ATOM 0 HB3 PRO A 21 3.947 13.719 2.074 1.00 0.00 H new ATOM 0 HG2 PRO A 21 2.021 15.179 3.872 1.00 0.00 H new ATOM 0 HG3 PRO A 21 3.773 15.157 3.923 1.00 0.00 H new ATOM 0 HD2 PRO A 21 2.404 17.234 2.815 1.00 0.00 H new ATOM 0 HD3 PRO A 21 3.978 16.750 2.215 1.00 0.00 H new ATOM 269 N ALA A 22 -0.109 14.915 1.818 1.00 0.00 N ATOM 270 CA ALA A 22 -1.532 14.639 1.969 1.00 0.00 C ATOM 271 C ALA A 22 -2.232 14.609 0.615 1.00 0.00 C ATOM 272 O ALA A 22 -3.058 13.734 0.351 1.00 0.00 O ATOM 273 CB ALA A 22 -2.177 15.677 2.876 1.00 0.00 C ATOM 0 H ALA A 22 0.198 15.790 2.242 1.00 0.00 H new ATOM 0 HA ALA A 22 -1.640 13.655 2.426 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -3.240 15.459 2.980 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -1.703 15.648 3.857 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -2.051 16.669 2.441 1.00 0.00 H new ATOM 279 N LEU A 23 -1.898 15.569 -0.240 1.00 0.00 N ATOM 280 CA LEU A 23 -2.496 15.653 -1.568 1.00 0.00 C ATOM 281 C LEU A 23 -2.391 14.317 -2.298 1.00 0.00 C ATOM 282 O LEU A 23 -3.267 13.956 -3.083 1.00 0.00 O ATOM 283 CB LEU A 23 -1.814 16.749 -2.388 1.00 0.00 C ATOM 284 CG LEU A 23 -2.372 18.162 -2.214 1.00 0.00 C ATOM 285 CD1 LEU A 23 -1.406 19.191 -2.782 1.00 0.00 C ATOM 286 CD2 LEU A 23 -3.735 18.283 -2.879 1.00 0.00 C ATOM 0 H LEU A 23 -1.216 16.300 -0.038 1.00 0.00 H new ATOM 0 HA LEU A 23 -3.551 15.900 -1.449 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -0.755 16.763 -2.129 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -1.880 16.481 -3.442 1.00 0.00 H new ATOM 0 HG LEU A 23 -2.492 18.356 -1.148 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -1.820 20.191 -2.649 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -0.452 19.121 -2.260 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -1.254 19.000 -3.844 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -4.117 19.295 -2.745 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -3.641 18.069 -3.944 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -4.426 17.572 -2.426 1.00 0.00 H new ATOM 298 N VAL A 24 -1.313 13.586 -2.030 1.00 0.00 N ATOM 299 CA VAL A 24 -1.095 12.288 -2.659 1.00 0.00 C ATOM 300 C VAL A 24 -2.282 11.360 -2.429 1.00 0.00 C ATOM 301 O VAL A 24 -2.716 11.160 -1.294 1.00 0.00 O ATOM 302 CB VAL A 24 0.182 11.613 -2.123 1.00 0.00 C ATOM 303 CG1 VAL A 24 0.363 10.240 -2.751 1.00 0.00 C ATOM 304 CG2 VAL A 24 1.397 12.492 -2.382 1.00 0.00 C ATOM 0 H VAL A 24 -0.578 13.870 -1.382 1.00 0.00 H new ATOM 0 HA VAL A 24 -0.981 12.469 -3.728 1.00 0.00 H new ATOM 0 HB VAL A 24 0.080 11.482 -1.046 1.00 0.00 H new ATOM 0 HG11 VAL A 24 1.270 9.778 -2.361 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -0.496 9.614 -2.510 1.00 0.00 H new ATOM 0 HG13 VAL A 24 0.445 10.343 -3.833 1.00 0.00 H new ATOM 0 HG21 VAL A 24 2.290 12.000 -1.997 1.00 0.00 H new ATOM 0 HG22 VAL A 24 1.506 12.655 -3.454 1.00 0.00 H new ATOM 0 HG23 VAL A 24 1.266 13.451 -1.880 1.00 0.00 H new ATOM 314 N SER A 25 -2.803 10.795 -3.513 1.00 0.00 N ATOM 315 CA SER A 25 -3.943 9.889 -3.430 1.00 0.00 C ATOM 316 C SER A 25 -3.625 8.553 -4.096 1.00 0.00 C ATOM 317 O SER A 25 -2.791 8.480 -4.998 1.00 0.00 O ATOM 318 CB SER A 25 -5.171 10.520 -4.089 1.00 0.00 C ATOM 319 OG SER A 25 -5.354 11.856 -3.652 1.00 0.00 O ATOM 0 H SER A 25 -2.454 10.948 -4.459 1.00 0.00 H new ATOM 0 HA SER A 25 -4.157 9.709 -2.376 1.00 0.00 H new ATOM 0 HB2 SER A 25 -5.056 10.501 -5.173 1.00 0.00 H new ATOM 0 HB3 SER A 25 -6.058 9.932 -3.852 1.00 0.00 H new ATOM 0 HG SER A 25 -6.144 12.238 -4.089 1.00 0.00 H new ATOM 325 N ALA A 26 -4.296 7.499 -3.643 1.00 0.00 N ATOM 326 CA ALA A 26 -4.087 6.166 -4.195 1.00 0.00 C ATOM 327 C ALA A 26 -5.410 5.425 -4.355 1.00 0.00 C ATOM 328 O ALA A 26 -6.240 5.413 -3.445 1.00 0.00 O ATOM 329 CB ALA A 26 -3.138 5.372 -3.310 1.00 0.00 C ATOM 0 H ALA A 26 -4.989 7.542 -2.896 1.00 0.00 H new ATOM 0 HA ALA A 26 -3.640 6.274 -5.183 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -2.991 4.379 -3.734 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -2.179 5.887 -3.251 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -3.563 5.281 -2.311 1.00 0.00 H new ATOM 335 N TYR A 27 -5.601 4.809 -5.516 1.00 0.00 N ATOM 336 CA TYR A 27 -6.825 4.068 -5.795 1.00 0.00 C ATOM 337 C TYR A 27 -6.595 3.028 -6.888 1.00 0.00 C ATOM 338 O TYR A 27 -5.652 3.132 -7.671 1.00 0.00 O ATOM 339 CB TYR A 27 -7.942 5.026 -6.215 1.00 0.00 C ATOM 340 CG TYR A 27 -7.592 5.875 -7.416 1.00 0.00 C ATOM 341 CD1 TYR A 27 -7.804 5.407 -8.707 1.00 0.00 C ATOM 342 CD2 TYR A 27 -7.050 7.145 -7.259 1.00 0.00 C ATOM 343 CE1 TYR A 27 -7.485 6.180 -9.807 1.00 0.00 C ATOM 344 CE2 TYR A 27 -6.730 7.924 -8.354 1.00 0.00 C ATOM 345 CZ TYR A 27 -6.948 7.437 -9.625 1.00 0.00 C ATOM 346 OH TYR A 27 -6.631 8.210 -10.719 1.00 0.00 O ATOM 0 H TYR A 27 -4.924 4.808 -6.279 1.00 0.00 H new ATOM 0 HA TYR A 27 -7.122 3.551 -4.883 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -8.839 4.449 -6.438 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -8.183 5.679 -5.377 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -8.225 4.423 -8.853 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -6.876 7.529 -6.265 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -7.655 5.802 -10.804 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -6.311 8.910 -8.215 1.00 0.00 H new ATOM 0 HH TYR A 27 -6.264 9.068 -10.418 1.00 0.00 H new ATOM 356 N GLY A 28 -7.466 2.025 -6.934 1.00 0.00 N ATOM 357 CA GLY A 28 -7.342 0.980 -7.934 1.00 0.00 C ATOM 358 C GLY A 28 -8.143 -0.258 -7.581 1.00 0.00 C ATOM 359 O GLY A 28 -9.189 -0.168 -6.937 1.00 0.00 O ATOM 0 H GLY A 28 -8.255 1.917 -6.297 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -7.676 1.363 -8.898 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -6.292 0.710 -8.045 1.00 0.00 H new ATOM 363 N THR A 29 -7.653 -1.419 -8.005 1.00 0.00 N ATOM 364 CA THR A 29 -8.331 -2.680 -7.733 1.00 0.00 C ATOM 365 C THR A 29 -7.544 -3.524 -6.737 1.00 0.00 C ATOM 366 O THR A 29 -8.088 -4.434 -6.113 1.00 0.00 O ATOM 367 CB THR A 29 -8.543 -3.493 -9.023 1.00 0.00 C ATOM 368 OG1 THR A 29 -9.237 -2.701 -9.994 1.00 0.00 O ATOM 369 CG2 THR A 29 -9.333 -4.762 -8.739 1.00 0.00 C ATOM 0 H THR A 29 -6.789 -1.512 -8.538 1.00 0.00 H new ATOM 0 HA THR A 29 -9.302 -2.431 -7.306 1.00 0.00 H new ATOM 0 HB THR A 29 -7.565 -3.772 -9.415 1.00 0.00 H new ATOM 0 HG1 THR A 29 -9.366 -3.225 -10.812 1.00 0.00 H new ATOM 0 HG21 THR A 29 -9.470 -5.320 -9.665 1.00 0.00 H new ATOM 0 HG22 THR A 29 -8.789 -5.377 -8.022 1.00 0.00 H new ATOM 0 HG23 THR A 29 -10.307 -4.500 -8.326 1.00 0.00 H new ATOM 377 N GLY A 30 -6.259 -3.215 -6.592 1.00 0.00 N ATOM 378 CA GLY A 30 -5.417 -3.955 -5.670 1.00 0.00 C ATOM 379 C GLY A 30 -5.739 -3.651 -4.220 1.00 0.00 C ATOM 380 O GLY A 30 -5.593 -4.510 -3.350 1.00 0.00 O ATOM 0 H GLY A 30 -5.786 -2.465 -7.097 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -5.538 -5.023 -5.850 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -4.372 -3.715 -5.865 1.00 0.00 H new ATOM 384 N LEU A 31 -6.178 -2.424 -3.958 1.00 0.00 N ATOM 385 CA LEU A 31 -6.520 -2.008 -2.602 1.00 0.00 C ATOM 386 C LEU A 31 -7.868 -2.583 -2.180 1.00 0.00 C ATOM 387 O LEU A 31 -8.156 -2.704 -0.990 1.00 0.00 O ATOM 388 CB LEU A 31 -6.552 -0.481 -2.510 1.00 0.00 C ATOM 389 CG LEU A 31 -5.221 0.234 -2.746 1.00 0.00 C ATOM 390 CD1 LEU A 31 -5.440 1.730 -2.905 1.00 0.00 C ATOM 391 CD2 LEU A 31 -4.254 -0.048 -1.606 1.00 0.00 C ATOM 0 H LEU A 31 -6.305 -1.701 -4.666 1.00 0.00 H new ATOM 0 HA LEU A 31 -5.755 -2.391 -1.926 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -7.275 -0.108 -3.235 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -6.920 -0.204 -1.522 1.00 0.00 H new ATOM 0 HG LEU A 31 -4.784 -0.148 -3.668 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -4.482 2.222 -3.072 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -6.096 1.913 -3.756 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -5.900 2.129 -2.001 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.312 0.469 -1.791 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.684 0.305 -0.669 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -4.072 -1.121 -1.540 1.00 0.00 H new ATOM 403 N GLU A 32 -8.689 -2.937 -3.164 1.00 0.00 N ATOM 404 CA GLU A 32 -10.006 -3.501 -2.893 1.00 0.00 C ATOM 405 C GLU A 32 -9.894 -4.755 -2.031 1.00 0.00 C ATOM 406 O GLU A 32 -10.665 -4.946 -1.091 1.00 0.00 O ATOM 407 CB GLU A 32 -10.723 -3.832 -4.203 1.00 0.00 C ATOM 408 CG GLU A 32 -10.881 -2.638 -5.129 1.00 0.00 C ATOM 409 CD GLU A 32 -12.170 -1.878 -4.886 1.00 0.00 C ATOM 410 OE1 GLU A 32 -12.224 -1.096 -3.915 1.00 0.00 O ATOM 411 OE2 GLU A 32 -13.125 -2.065 -5.669 1.00 0.00 O ATOM 0 H GLU A 32 -8.466 -2.843 -4.155 1.00 0.00 H new ATOM 0 HA GLU A 32 -10.586 -2.757 -2.348 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -10.169 -4.614 -4.723 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -11.709 -4.238 -3.975 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -10.035 -1.964 -4.994 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -10.854 -2.979 -6.164 1.00 0.00 H new ATOM 418 N GLY A 33 -8.928 -5.608 -2.359 1.00 0.00 N ATOM 419 CA GLY A 33 -8.733 -6.833 -1.606 1.00 0.00 C ATOM 420 C GLY A 33 -7.504 -7.599 -2.054 1.00 0.00 C ATOM 421 O GLY A 33 -6.768 -7.149 -2.931 1.00 0.00 O ATOM 0 H GLY A 33 -8.277 -5.472 -3.133 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -8.642 -6.594 -0.546 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -9.613 -7.467 -1.716 1.00 0.00 H new ATOM 425 N GLY A 34 -7.280 -8.762 -1.449 1.00 0.00 N ATOM 426 CA GLY A 34 -6.130 -9.573 -1.802 1.00 0.00 C ATOM 427 C GLY A 34 -6.512 -10.811 -2.588 1.00 0.00 C ATOM 428 O GLY A 34 -7.057 -11.765 -2.033 1.00 0.00 O ATOM 0 H GLY A 34 -7.875 -9.157 -0.721 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -5.434 -8.974 -2.389 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -5.607 -9.871 -0.893 1.00 0.00 H new ATOM 432 N THR A 35 -6.229 -10.797 -3.887 1.00 0.00 N ATOM 433 CA THR A 35 -6.549 -11.925 -4.752 1.00 0.00 C ATOM 434 C THR A 35 -5.311 -12.767 -5.039 1.00 0.00 C ATOM 435 O THR A 35 -4.453 -12.378 -5.832 1.00 0.00 O ATOM 436 CB THR A 35 -7.157 -11.455 -6.087 1.00 0.00 C ATOM 437 OG1 THR A 35 -7.947 -10.279 -5.878 1.00 0.00 O ATOM 438 CG2 THR A 35 -8.017 -12.547 -6.704 1.00 0.00 C ATOM 0 H THR A 35 -5.778 -10.016 -4.363 1.00 0.00 H new ATOM 0 HA THR A 35 -7.282 -12.532 -4.221 1.00 0.00 H new ATOM 0 HB THR A 35 -6.341 -11.227 -6.773 1.00 0.00 H new ATOM 0 HG1 THR A 35 -8.329 -9.985 -6.732 1.00 0.00 H new ATOM 0 HG21 THR A 35 -8.436 -12.192 -7.646 1.00 0.00 H new ATOM 0 HG22 THR A 35 -7.406 -13.431 -6.889 1.00 0.00 H new ATOM 0 HG23 THR A 35 -8.827 -12.802 -6.020 1.00 0.00 H new ATOM 446 N THR A 36 -5.224 -13.924 -4.389 1.00 0.00 N ATOM 447 CA THR A 36 -4.091 -14.821 -4.575 1.00 0.00 C ATOM 448 C THR A 36 -4.166 -15.531 -5.921 1.00 0.00 C ATOM 449 O THR A 36 -4.992 -16.422 -6.119 1.00 0.00 O ATOM 450 CB THR A 36 -4.020 -15.876 -3.454 1.00 0.00 C ATOM 451 OG1 THR A 36 -4.559 -15.338 -2.241 1.00 0.00 O ATOM 452 CG2 THR A 36 -2.585 -16.324 -3.223 1.00 0.00 C ATOM 0 H THR A 36 -5.925 -14.261 -3.729 1.00 0.00 H new ATOM 0 HA THR A 36 -3.192 -14.205 -4.542 1.00 0.00 H new ATOM 0 HB THR A 36 -4.609 -16.741 -3.760 1.00 0.00 H new ATOM 0 HG1 THR A 36 -5.522 -15.516 -2.204 1.00 0.00 H new ATOM 0 HG21 THR A 36 -2.560 -17.069 -2.427 1.00 0.00 H new ATOM 0 HG22 THR A 36 -2.188 -16.759 -4.140 1.00 0.00 H new ATOM 0 HG23 THR A 36 -1.978 -15.466 -2.936 1.00 0.00 H new ATOM 460 N GLY A 37 -3.297 -15.132 -6.845 1.00 0.00 N ATOM 461 CA GLY A 37 -3.282 -15.742 -8.162 1.00 0.00 C ATOM 462 C GLY A 37 -3.537 -14.738 -9.269 1.00 0.00 C ATOM 463 O GLY A 37 -3.278 -15.017 -10.440 1.00 0.00 O ATOM 0 H GLY A 37 -2.603 -14.397 -6.705 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -2.317 -16.222 -8.326 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -4.039 -16.525 -8.205 1.00 0.00 H new ATOM 467 N ILE A 38 -4.049 -13.569 -8.899 1.00 0.00 N ATOM 468 CA ILE A 38 -4.340 -12.522 -9.870 1.00 0.00 C ATOM 469 C ILE A 38 -3.428 -11.316 -9.668 1.00 0.00 C ATOM 470 O ILE A 38 -3.072 -10.978 -8.539 1.00 0.00 O ATOM 471 CB ILE A 38 -5.807 -12.062 -9.779 1.00 0.00 C ATOM 472 CG1 ILE A 38 -6.750 -13.254 -9.958 1.00 0.00 C ATOM 473 CG2 ILE A 38 -6.093 -10.993 -10.823 1.00 0.00 C ATOM 474 CD1 ILE A 38 -8.207 -12.862 -10.058 1.00 0.00 C ATOM 0 H ILE A 38 -4.271 -13.323 -7.934 1.00 0.00 H new ATOM 0 HA ILE A 38 -4.162 -12.949 -10.857 1.00 0.00 H new ATOM 0 HB ILE A 38 -5.977 -11.633 -8.792 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -6.466 -13.799 -10.858 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -6.623 -13.937 -9.118 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -7.134 -10.678 -10.746 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -5.441 -10.136 -10.654 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -5.909 -11.398 -11.818 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -8.817 -13.757 -10.184 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -8.507 -12.343 -9.148 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -8.349 -12.203 -10.915 1.00 0.00 H new ATOM 486 N GLN A 39 -3.056 -10.672 -10.769 1.00 0.00 N ATOM 487 CA GLN A 39 -2.186 -9.503 -10.712 1.00 0.00 C ATOM 488 C GLN A 39 -3.005 -8.219 -10.636 1.00 0.00 C ATOM 489 O GLN A 39 -3.687 -7.849 -11.591 1.00 0.00 O ATOM 490 CB GLN A 39 -1.267 -9.465 -11.935 1.00 0.00 C ATOM 491 CG GLN A 39 -0.589 -8.120 -12.144 1.00 0.00 C ATOM 492 CD GLN A 39 0.421 -8.146 -13.274 1.00 0.00 C ATOM 493 OE1 GLN A 39 1.625 -8.259 -13.044 1.00 0.00 O ATOM 494 NE2 GLN A 39 -0.065 -8.042 -14.506 1.00 0.00 N ATOM 0 H GLN A 39 -3.343 -10.939 -11.711 1.00 0.00 H new ATOM 0 HA GLN A 39 -1.577 -9.578 -9.811 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -0.503 -10.235 -11.829 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -1.848 -9.712 -12.824 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -1.346 -7.365 -12.355 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -0.090 -7.822 -11.222 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -1.070 -7.950 -14.652 1.00 0.00 H new ATOM 0 HE22 GLN A 39 0.567 -8.054 -15.306 1.00 0.00 H new ATOM 503 N SER A 40 -2.932 -7.543 -9.494 1.00 0.00 N ATOM 504 CA SER A 40 -3.670 -6.301 -9.292 1.00 0.00 C ATOM 505 C SER A 40 -2.756 -5.092 -9.466 1.00 0.00 C ATOM 506 O SER A 40 -1.540 -5.192 -9.308 1.00 0.00 O ATOM 507 CB SER A 40 -4.302 -6.281 -7.899 1.00 0.00 C ATOM 508 OG SER A 40 -3.477 -6.939 -6.954 1.00 0.00 O ATOM 0 H SER A 40 -2.370 -7.834 -8.694 1.00 0.00 H new ATOM 0 HA SER A 40 -4.459 -6.249 -10.042 1.00 0.00 H new ATOM 0 HB2 SER A 40 -4.467 -5.250 -7.586 1.00 0.00 H new ATOM 0 HB3 SER A 40 -5.278 -6.764 -7.933 1.00 0.00 H new ATOM 0 HG SER A 40 -3.903 -6.910 -6.072 1.00 0.00 H new ATOM 514 N GLU A 41 -3.353 -3.950 -9.793 1.00 0.00 N ATOM 515 CA GLU A 41 -2.593 -2.721 -9.989 1.00 0.00 C ATOM 516 C GLU A 41 -3.395 -1.506 -9.531 1.00 0.00 C ATOM 517 O GLU A 41 -4.625 -1.508 -9.574 1.00 0.00 O ATOM 518 CB GLU A 41 -2.205 -2.564 -11.461 1.00 0.00 C ATOM 519 CG GLU A 41 -3.396 -2.552 -12.406 1.00 0.00 C ATOM 520 CD GLU A 41 -4.203 -3.835 -12.343 1.00 0.00 C ATOM 521 OE1 GLU A 41 -3.712 -4.869 -12.843 1.00 0.00 O ATOM 522 OE2 GLU A 41 -5.324 -3.804 -11.795 1.00 0.00 O ATOM 0 H GLU A 41 -4.359 -3.850 -9.928 1.00 0.00 H new ATOM 0 HA GLU A 41 -1.687 -2.785 -9.387 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -1.645 -1.637 -11.584 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -1.538 -3.379 -11.741 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -4.041 -1.709 -12.161 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -3.044 -2.398 -13.426 1.00 0.00 H new ATOM 529 N PHE A 42 -2.688 -0.470 -9.091 1.00 0.00 N ATOM 530 CA PHE A 42 -3.333 0.752 -8.623 1.00 0.00 C ATOM 531 C PHE A 42 -2.536 1.983 -9.044 1.00 0.00 C ATOM 532 O PHE A 42 -1.306 1.987 -8.995 1.00 0.00 O ATOM 533 CB PHE A 42 -3.483 0.723 -7.101 1.00 0.00 C ATOM 534 CG PHE A 42 -2.173 0.771 -6.368 1.00 0.00 C ATOM 535 CD1 PHE A 42 -1.497 1.970 -6.209 1.00 0.00 C ATOM 536 CD2 PHE A 42 -1.617 -0.383 -5.839 1.00 0.00 C ATOM 537 CE1 PHE A 42 -0.291 2.018 -5.535 1.00 0.00 C ATOM 538 CE2 PHE A 42 -0.412 -0.341 -5.164 1.00 0.00 C ATOM 539 CZ PHE A 42 0.252 0.861 -5.013 1.00 0.00 C ATOM 0 H PHE A 42 -1.669 -0.452 -9.049 1.00 0.00 H new ATOM 0 HA PHE A 42 -4.322 0.809 -9.078 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -4.096 1.568 -6.788 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -4.018 -0.182 -6.814 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -1.917 2.878 -6.616 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -2.131 -1.326 -5.956 1.00 0.00 H new ATOM 0 HE1 PHE A 42 0.226 2.959 -5.417 1.00 0.00 H new ATOM 0 HE2 PHE A 42 0.010 -1.247 -4.755 1.00 0.00 H new ATOM 0 HZ PHE A 42 1.195 0.896 -4.487 1.00 0.00 H new ATOM 549 N PHE A 43 -3.247 3.027 -9.458 1.00 0.00 N ATOM 550 CA PHE A 43 -2.607 4.264 -9.889 1.00 0.00 C ATOM 551 C PHE A 43 -2.297 5.161 -8.694 1.00 0.00 C ATOM 552 O PHE A 43 -3.001 5.133 -7.684 1.00 0.00 O ATOM 553 CB PHE A 43 -3.504 5.009 -10.881 1.00 0.00 C ATOM 554 CG PHE A 43 -3.364 4.524 -12.296 1.00 0.00 C ATOM 555 CD1 PHE A 43 -2.130 4.531 -12.926 1.00 0.00 C ATOM 556 CD2 PHE A 43 -4.467 4.063 -12.996 1.00 0.00 C ATOM 557 CE1 PHE A 43 -1.998 4.085 -14.227 1.00 0.00 C ATOM 558 CE2 PHE A 43 -4.341 3.616 -14.298 1.00 0.00 C ATOM 559 CZ PHE A 43 -3.106 3.629 -14.915 1.00 0.00 C ATOM 0 H PHE A 43 -4.266 3.041 -9.504 1.00 0.00 H new ATOM 0 HA PHE A 43 -1.669 4.006 -10.381 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -4.543 4.903 -10.570 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -3.268 6.072 -10.845 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -1.261 4.889 -12.394 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -5.436 4.053 -12.519 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -1.030 4.093 -14.706 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -5.208 3.257 -14.832 1.00 0.00 H new ATOM 0 HZ PHE A 43 -3.006 3.283 -15.933 1.00 0.00 H new ATOM 569 N ILE A 44 -1.239 5.956 -8.817 1.00 0.00 N ATOM 570 CA ILE A 44 -0.836 6.861 -7.749 1.00 0.00 C ATOM 571 C ILE A 44 -0.975 8.317 -8.180 1.00 0.00 C ATOM 572 O ILE A 44 -0.175 8.821 -8.966 1.00 0.00 O ATOM 573 CB ILE A 44 0.619 6.604 -7.312 1.00 0.00 C ATOM 574 CG1 ILE A 44 0.778 5.165 -6.815 1.00 0.00 C ATOM 575 CG2 ILE A 44 1.029 7.592 -6.230 1.00 0.00 C ATOM 576 CD1 ILE A 44 2.220 4.739 -6.652 1.00 0.00 C ATOM 0 H ILE A 44 -0.646 5.991 -9.646 1.00 0.00 H new ATOM 0 HA ILE A 44 -1.500 6.669 -6.906 1.00 0.00 H new ATOM 0 HB ILE A 44 1.272 6.746 -8.173 1.00 0.00 H new ATOM 0 HG12 ILE A 44 0.266 5.061 -5.858 1.00 0.00 H new ATOM 0 HG13 ILE A 44 0.285 4.491 -7.515 1.00 0.00 H new ATOM 0 HG21 ILE A 44 2.059 7.398 -5.932 1.00 0.00 H new ATOM 0 HG22 ILE A 44 0.948 8.608 -6.616 1.00 0.00 H new ATOM 0 HG23 ILE A 44 0.374 7.479 -5.366 1.00 0.00 H new ATOM 0 HD11 ILE A 44 2.257 3.709 -6.297 1.00 0.00 H new ATOM 0 HD12 ILE A 44 2.731 4.811 -7.612 1.00 0.00 H new ATOM 0 HD13 ILE A 44 2.712 5.390 -5.929 1.00 0.00 H new ATOM 588 N ASN A 45 -1.997 8.988 -7.657 1.00 0.00 N ATOM 589 CA ASN A 45 -2.241 10.387 -7.987 1.00 0.00 C ATOM 590 C ASN A 45 -1.131 11.277 -7.437 1.00 0.00 C ATOM 591 O ASN A 45 -1.079 11.556 -6.239 1.00 0.00 O ATOM 592 CB ASN A 45 -3.593 10.836 -7.429 1.00 0.00 C ATOM 593 CG ASN A 45 -4.230 11.928 -8.266 1.00 0.00 C ATOM 594 OD1 ASN A 45 -4.190 11.886 -9.495 1.00 0.00 O ATOM 595 ND2 ASN A 45 -4.823 12.913 -7.601 1.00 0.00 N ATOM 0 H ASN A 45 -2.669 8.585 -7.003 1.00 0.00 H new ATOM 0 HA ASN A 45 -2.254 10.481 -9.073 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -4.266 9.980 -7.381 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -3.461 11.195 -6.408 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -5.270 13.676 -8.110 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -4.832 12.907 -6.581 1.00 0.00 H new ATOM 602 N THR A 46 -0.243 11.722 -8.321 1.00 0.00 N ATOM 603 CA THR A 46 0.867 12.580 -7.926 1.00 0.00 C ATOM 604 C THR A 46 0.946 13.819 -8.810 1.00 0.00 C ATOM 605 O THR A 46 2.020 14.390 -9.002 1.00 0.00 O ATOM 606 CB THR A 46 2.209 11.828 -7.993 1.00 0.00 C ATOM 607 OG1 THR A 46 2.436 11.348 -9.323 1.00 0.00 O ATOM 608 CG2 THR A 46 2.226 10.661 -7.017 1.00 0.00 C ATOM 0 H THR A 46 -0.271 11.502 -9.317 1.00 0.00 H new ATOM 0 HA THR A 46 0.681 12.884 -6.896 1.00 0.00 H new ATOM 0 HB THR A 46 3.003 12.522 -7.717 1.00 0.00 H new ATOM 0 HG1 THR A 46 3.391 11.164 -9.446 1.00 0.00 H new ATOM 0 HG21 THR A 46 3.184 10.145 -7.083 1.00 0.00 H new ATOM 0 HG22 THR A 46 2.083 11.033 -6.002 1.00 0.00 H new ATOM 0 HG23 THR A 46 1.423 9.967 -7.265 1.00 0.00 H new ATOM 616 N THR A 47 -0.198 14.232 -9.346 1.00 0.00 N ATOM 617 CA THR A 47 -0.258 15.404 -10.211 1.00 0.00 C ATOM 618 C THR A 47 -0.363 16.686 -9.393 1.00 0.00 C ATOM 619 O THR A 47 0.250 17.699 -9.728 1.00 0.00 O ATOM 620 CB THR A 47 -1.453 15.327 -11.180 1.00 0.00 C ATOM 621 OG1 THR A 47 -2.656 15.052 -10.453 1.00 0.00 O ATOM 622 CG2 THR A 47 -1.231 14.248 -12.229 1.00 0.00 C ATOM 0 H THR A 47 -1.096 13.772 -9.196 1.00 0.00 H new ATOM 0 HA THR A 47 0.667 15.419 -10.788 1.00 0.00 H new ATOM 0 HB THR A 47 -1.545 16.289 -11.685 1.00 0.00 H new ATOM 0 HG1 THR A 47 -3.411 15.006 -11.076 1.00 0.00 H new ATOM 0 HG21 THR A 47 -2.088 14.213 -12.902 1.00 0.00 H new ATOM 0 HG22 THR A 47 -0.331 14.475 -12.800 1.00 0.00 H new ATOM 0 HG23 THR A 47 -1.115 13.282 -11.738 1.00 0.00 H new ATOM 630 N ARG A 48 -1.144 16.634 -8.318 1.00 0.00 N ATOM 631 CA ARG A 48 -1.329 17.792 -7.453 1.00 0.00 C ATOM 632 C ARG A 48 -0.129 17.977 -6.528 1.00 0.00 C ATOM 633 O ARG A 48 0.247 19.102 -6.200 1.00 0.00 O ATOM 634 CB ARG A 48 -2.606 17.638 -6.625 1.00 0.00 C ATOM 635 CG ARG A 48 -3.876 17.626 -7.460 1.00 0.00 C ATOM 636 CD ARG A 48 -4.172 18.999 -8.043 1.00 0.00 C ATOM 637 NE ARG A 48 -4.666 19.928 -7.030 1.00 0.00 N ATOM 638 CZ ARG A 48 -4.788 21.236 -7.230 1.00 0.00 C ATOM 639 NH1 ARG A 48 -4.455 21.765 -8.399 1.00 0.00 N ATOM 640 NH2 ARG A 48 -5.246 22.016 -6.260 1.00 0.00 N ATOM 0 H ARG A 48 -1.658 15.803 -8.026 1.00 0.00 H new ATOM 0 HA ARG A 48 -1.418 18.676 -8.085 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -2.549 16.712 -6.053 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -2.663 18.454 -5.905 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -3.775 16.901 -8.267 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -4.715 17.303 -6.844 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -3.267 19.404 -8.496 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -4.911 18.904 -8.839 1.00 0.00 H new ATOM 0 HE ARG A 48 -4.932 19.552 -6.120 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -4.104 21.168 -9.148 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -4.550 22.769 -8.550 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -5.505 21.612 -5.360 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -5.339 23.020 -6.414 1.00 0.00 H new ATOM 654 N ALA A 49 0.466 16.865 -6.110 1.00 0.00 N ATOM 655 CA ALA A 49 1.623 16.904 -5.225 1.00 0.00 C ATOM 656 C ALA A 49 2.858 17.417 -5.957 1.00 0.00 C ATOM 657 O ALA A 49 3.458 18.415 -5.560 1.00 0.00 O ATOM 658 CB ALA A 49 1.888 15.524 -4.641 1.00 0.00 C ATOM 0 H ALA A 49 0.166 15.926 -6.370 1.00 0.00 H new ATOM 0 HA ALA A 49 1.403 17.595 -4.411 1.00 0.00 H new ATOM 0 HB1 ALA A 49 2.755 15.568 -3.982 1.00 0.00 H new ATOM 0 HB2 ALA A 49 1.017 15.196 -4.074 1.00 0.00 H new ATOM 0 HB3 ALA A 49 2.082 14.818 -5.449 1.00 0.00 H new ATOM 664 N GLY A 50 3.234 16.726 -7.030 1.00 0.00 N ATOM 665 CA GLY A 50 4.396 17.127 -7.801 1.00 0.00 C ATOM 666 C GLY A 50 5.244 15.945 -8.228 1.00 0.00 C ATOM 667 O GLY A 50 5.045 14.816 -7.778 1.00 0.00 O ATOM 0 H GLY A 50 2.754 15.896 -7.378 1.00 0.00 H new ATOM 0 HA2 GLY A 50 4.070 17.675 -8.685 1.00 0.00 H new ATOM 0 HA3 GLY A 50 5.003 17.811 -7.208 1.00 0.00 H new ATOM 671 N PRO A 51 6.214 16.199 -9.119 1.00 0.00 N ATOM 672 CA PRO A 51 7.114 15.159 -9.627 1.00 0.00 C ATOM 673 C PRO A 51 8.086 14.663 -8.563 1.00 0.00 C ATOM 674 O PRO A 51 8.928 13.805 -8.828 1.00 0.00 O ATOM 675 CB PRO A 51 7.871 15.865 -10.755 1.00 0.00 C ATOM 676 CG PRO A 51 7.823 17.311 -10.396 1.00 0.00 C ATOM 677 CD PRO A 51 6.508 17.521 -9.697 1.00 0.00 C ATOM 0 HA PRO A 51 6.570 14.272 -9.950 1.00 0.00 H new ATOM 0 HB2 PRO A 51 8.899 15.509 -10.826 1.00 0.00 H new ATOM 0 HB3 PRO A 51 7.402 15.681 -11.722 1.00 0.00 H new ATOM 0 HG2 PRO A 51 8.657 17.580 -9.748 1.00 0.00 H new ATOM 0 HG3 PRO A 51 7.896 17.937 -11.286 1.00 0.00 H new ATOM 0 HD2 PRO A 51 6.580 18.289 -8.927 1.00 0.00 H new ATOM 0 HD3 PRO A 51 5.730 17.838 -10.391 1.00 0.00 H new ATOM 685 N GLY A 52 7.964 15.207 -7.356 1.00 0.00 N ATOM 686 CA GLY A 52 8.839 14.806 -6.269 1.00 0.00 C ATOM 687 C GLY A 52 9.039 13.305 -6.209 1.00 0.00 C ATOM 688 O GLY A 52 8.325 12.549 -6.870 1.00 0.00 O ATOM 0 H GLY A 52 7.275 15.918 -7.111 1.00 0.00 H new ATOM 0 HA2 GLY A 52 9.807 15.294 -6.387 1.00 0.00 H new ATOM 0 HA3 GLY A 52 8.421 15.152 -5.324 1.00 0.00 H new ATOM 692 N THR A 53 10.013 12.870 -5.416 1.00 0.00 N ATOM 693 CA THR A 53 10.307 11.450 -5.275 1.00 0.00 C ATOM 694 C THR A 53 9.220 10.740 -4.475 1.00 0.00 C ATOM 695 O THR A 53 8.494 11.368 -3.702 1.00 0.00 O ATOM 696 CB THR A 53 11.666 11.223 -4.586 1.00 0.00 C ATOM 697 OG1 THR A 53 12.596 12.232 -4.993 1.00 0.00 O ATOM 698 CG2 THR A 53 12.221 9.848 -4.924 1.00 0.00 C ATOM 0 H THR A 53 10.612 13.482 -4.861 1.00 0.00 H new ATOM 0 HA THR A 53 10.344 11.034 -6.282 1.00 0.00 H new ATOM 0 HB THR A 53 11.516 11.282 -3.508 1.00 0.00 H new ATOM 0 HG1 THR A 53 13.457 12.082 -4.549 1.00 0.00 H new ATOM 0 HG21 THR A 53 13.181 9.711 -4.426 1.00 0.00 H new ATOM 0 HG22 THR A 53 11.524 9.081 -4.586 1.00 0.00 H new ATOM 0 HG23 THR A 53 12.356 9.765 -6.002 1.00 0.00 H new ATOM 706 N LEU A 54 9.113 9.430 -4.664 1.00 0.00 N ATOM 707 CA LEU A 54 8.114 8.634 -3.959 1.00 0.00 C ATOM 708 C LEU A 54 8.682 7.277 -3.559 1.00 0.00 C ATOM 709 O LEU A 54 9.726 6.857 -4.060 1.00 0.00 O ATOM 710 CB LEU A 54 6.875 8.442 -4.836 1.00 0.00 C ATOM 711 CG LEU A 54 6.904 7.244 -5.786 1.00 0.00 C ATOM 712 CD1 LEU A 54 8.192 7.235 -6.594 1.00 0.00 C ATOM 713 CD2 LEU A 54 6.750 5.944 -5.009 1.00 0.00 C ATOM 0 H LEU A 54 9.706 8.896 -5.300 1.00 0.00 H new ATOM 0 HA LEU A 54 7.832 9.170 -3.053 1.00 0.00 H new ATOM 0 HB2 LEU A 54 6.006 8.343 -4.186 1.00 0.00 H new ATOM 0 HB3 LEU A 54 6.730 9.346 -5.428 1.00 0.00 H new ATOM 0 HG LEU A 54 6.066 7.332 -6.478 1.00 0.00 H new ATOM 0 HD11 LEU A 54 8.195 6.376 -7.264 1.00 0.00 H new ATOM 0 HD12 LEU A 54 8.261 8.152 -7.179 1.00 0.00 H new ATOM 0 HD13 LEU A 54 9.045 7.171 -5.918 1.00 0.00 H new ATOM 0 HD21 LEU A 54 6.773 5.102 -5.701 1.00 0.00 H new ATOM 0 HD22 LEU A 54 7.567 5.849 -4.294 1.00 0.00 H new ATOM 0 HD23 LEU A 54 5.800 5.950 -4.475 1.00 0.00 H new ATOM 725 N SER A 55 7.989 6.594 -2.653 1.00 0.00 N ATOM 726 CA SER A 55 8.425 5.285 -2.184 1.00 0.00 C ATOM 727 C SER A 55 7.230 4.369 -1.939 1.00 0.00 C ATOM 728 O SER A 55 6.154 4.824 -1.551 1.00 0.00 O ATOM 729 CB SER A 55 9.244 5.427 -0.899 1.00 0.00 C ATOM 730 OG SER A 55 10.512 6.003 -1.164 1.00 0.00 O ATOM 0 H SER A 55 7.123 6.926 -2.229 1.00 0.00 H new ATOM 0 HA SER A 55 9.050 4.839 -2.958 1.00 0.00 H new ATOM 0 HB2 SER A 55 8.702 6.047 -0.185 1.00 0.00 H new ATOM 0 HB3 SER A 55 9.375 4.448 -0.437 1.00 0.00 H new ATOM 0 HG SER A 55 11.015 6.085 -0.327 1.00 0.00 H new ATOM 736 N VAL A 56 7.427 3.075 -2.170 1.00 0.00 N ATOM 737 CA VAL A 56 6.367 2.093 -1.974 1.00 0.00 C ATOM 738 C VAL A 56 6.921 0.791 -1.407 1.00 0.00 C ATOM 739 O VAL A 56 7.821 0.181 -1.986 1.00 0.00 O ATOM 740 CB VAL A 56 5.629 1.793 -3.293 1.00 0.00 C ATOM 741 CG1 VAL A 56 6.623 1.594 -4.427 1.00 0.00 C ATOM 742 CG2 VAL A 56 4.735 0.572 -3.137 1.00 0.00 C ATOM 0 H VAL A 56 8.311 2.682 -2.493 1.00 0.00 H new ATOM 0 HA VAL A 56 5.663 2.525 -1.262 1.00 0.00 H new ATOM 0 HB VAL A 56 4.999 2.648 -3.539 1.00 0.00 H new ATOM 0 HG11 VAL A 56 6.084 1.383 -5.351 1.00 0.00 H new ATOM 0 HG12 VAL A 56 7.218 2.499 -4.552 1.00 0.00 H new ATOM 0 HG13 VAL A 56 7.281 0.757 -4.192 1.00 0.00 H new ATOM 0 HG21 VAL A 56 4.221 0.375 -4.078 1.00 0.00 H new ATOM 0 HG22 VAL A 56 5.343 -0.292 -2.867 1.00 0.00 H new ATOM 0 HG23 VAL A 56 4.000 0.757 -2.354 1.00 0.00 H new ATOM 752 N THR A 57 6.378 0.369 -0.269 1.00 0.00 N ATOM 753 CA THR A 57 6.818 -0.860 0.378 1.00 0.00 C ATOM 754 C THR A 57 5.632 -1.753 0.726 1.00 0.00 C ATOM 755 O THR A 57 4.580 -1.269 1.144 1.00 0.00 O ATOM 756 CB THR A 57 7.617 -0.565 1.661 1.00 0.00 C ATOM 757 OG1 THR A 57 8.667 0.368 1.380 1.00 0.00 O ATOM 758 CG2 THR A 57 8.208 -1.843 2.237 1.00 0.00 C ATOM 0 H THR A 57 5.632 0.861 0.223 1.00 0.00 H new ATOM 0 HA THR A 57 7.463 -1.377 -0.332 1.00 0.00 H new ATOM 0 HB THR A 57 6.936 -0.135 2.396 1.00 0.00 H new ATOM 0 HG1 THR A 57 9.170 0.552 2.201 1.00 0.00 H new ATOM 0 HG21 THR A 57 8.768 -1.609 3.143 1.00 0.00 H new ATOM 0 HG22 THR A 57 7.405 -2.540 2.477 1.00 0.00 H new ATOM 0 HG23 THR A 57 8.876 -2.297 1.505 1.00 0.00 H new ATOM 766 N ILE A 58 5.810 -3.058 0.553 1.00 0.00 N ATOM 767 CA ILE A 58 4.754 -4.019 0.850 1.00 0.00 C ATOM 768 C ILE A 58 5.243 -5.090 1.819 1.00 0.00 C ATOM 769 O ILE A 58 6.299 -5.690 1.615 1.00 0.00 O ATOM 770 CB ILE A 58 4.234 -4.698 -0.430 1.00 0.00 C ATOM 771 CG1 ILE A 58 3.646 -3.656 -1.384 1.00 0.00 C ATOM 772 CG2 ILE A 58 3.194 -5.754 -0.084 1.00 0.00 C ATOM 773 CD1 ILE A 58 3.142 -4.243 -2.684 1.00 0.00 C ATOM 0 H ILE A 58 6.675 -3.475 0.209 1.00 0.00 H new ATOM 0 HA ILE A 58 3.939 -3.461 1.311 1.00 0.00 H new ATOM 0 HB ILE A 58 5.070 -5.188 -0.929 1.00 0.00 H new ATOM 0 HG12 ILE A 58 2.825 -3.141 -0.885 1.00 0.00 H new ATOM 0 HG13 ILE A 58 4.406 -2.906 -1.604 1.00 0.00 H new ATOM 0 HG21 ILE A 58 2.836 -6.225 -0.999 1.00 0.00 H new ATOM 0 HG22 ILE A 58 3.643 -6.509 0.561 1.00 0.00 H new ATOM 0 HG23 ILE A 58 2.358 -5.285 0.434 1.00 0.00 H new ATOM 0 HD11 ILE A 58 2.739 -3.447 -3.311 1.00 0.00 H new ATOM 0 HD12 ILE A 58 3.964 -4.734 -3.205 1.00 0.00 H new ATOM 0 HD13 ILE A 58 2.359 -4.972 -2.475 1.00 0.00 H new ATOM 785 N GLU A 59 4.468 -5.327 2.872 1.00 0.00 N ATOM 786 CA GLU A 59 4.822 -6.328 3.871 1.00 0.00 C ATOM 787 C GLU A 59 3.824 -7.482 3.863 1.00 0.00 C ATOM 788 O GLU A 59 2.828 -7.451 3.143 1.00 0.00 O ATOM 789 CB GLU A 59 4.875 -5.695 5.263 1.00 0.00 C ATOM 790 CG GLU A 59 6.222 -5.077 5.600 1.00 0.00 C ATOM 791 CD GLU A 59 7.298 -6.119 5.839 1.00 0.00 C ATOM 792 OE1 GLU A 59 7.160 -7.244 5.315 1.00 0.00 O ATOM 793 OE2 GLU A 59 8.277 -5.809 6.549 1.00 0.00 O ATOM 0 H GLU A 59 3.591 -4.840 3.055 1.00 0.00 H new ATOM 0 HA GLU A 59 5.807 -6.721 3.620 1.00 0.00 H new ATOM 0 HB2 GLU A 59 4.105 -4.927 5.333 1.00 0.00 H new ATOM 0 HB3 GLU A 59 4.637 -6.455 6.008 1.00 0.00 H new ATOM 0 HG2 GLU A 59 6.531 -4.421 4.786 1.00 0.00 H new ATOM 0 HG3 GLU A 59 6.120 -4.455 6.489 1.00 0.00 H new ATOM 800 N GLY A 60 4.101 -8.502 4.670 1.00 0.00 N ATOM 801 CA GLY A 60 3.219 -9.653 4.741 1.00 0.00 C ATOM 802 C GLY A 60 3.966 -10.938 5.040 1.00 0.00 C ATOM 803 O GLY A 60 5.196 -10.976 5.058 1.00 0.00 O ATOM 0 H GLY A 60 4.920 -8.552 5.276 1.00 0.00 H new ATOM 0 HA2 GLY A 60 2.468 -9.485 5.513 1.00 0.00 H new ATOM 0 HA3 GLY A 60 2.686 -9.758 3.796 1.00 0.00 H new ATOM 807 N PRO A 61 3.213 -12.021 5.285 1.00 0.00 N ATOM 808 CA PRO A 61 3.790 -13.333 5.591 1.00 0.00 C ATOM 809 C PRO A 61 4.476 -13.961 4.382 1.00 0.00 C ATOM 810 O PRO A 61 5.292 -14.871 4.523 1.00 0.00 O ATOM 811 CB PRO A 61 2.576 -14.166 6.009 1.00 0.00 C ATOM 812 CG PRO A 61 1.419 -13.516 5.332 1.00 0.00 C ATOM 813 CD PRO A 61 1.741 -12.048 5.280 1.00 0.00 C ATOM 0 HA PRO A 61 4.564 -13.269 6.356 1.00 0.00 H new ATOM 0 HB2 PRO A 61 2.683 -15.205 5.699 1.00 0.00 H new ATOM 0 HB3 PRO A 61 2.451 -14.168 7.092 1.00 0.00 H new ATOM 0 HG2 PRO A 61 1.276 -13.920 4.330 1.00 0.00 H new ATOM 0 HG3 PRO A 61 0.495 -13.694 5.882 1.00 0.00 H new ATOM 0 HD2 PRO A 61 1.334 -11.579 4.384 1.00 0.00 H new ATOM 0 HD3 PRO A 61 1.326 -11.515 6.136 1.00 0.00 H new ATOM 821 N SER A 62 4.138 -13.469 3.194 1.00 0.00 N ATOM 822 CA SER A 62 4.719 -13.985 1.960 1.00 0.00 C ATOM 823 C SER A 62 5.087 -12.845 1.015 1.00 0.00 C ATOM 824 O SER A 62 4.221 -12.101 0.553 1.00 0.00 O ATOM 825 CB SER A 62 3.742 -14.939 1.271 1.00 0.00 C ATOM 826 OG SER A 62 3.821 -16.240 1.828 1.00 0.00 O ATOM 0 H SER A 62 3.465 -12.714 3.060 1.00 0.00 H new ATOM 0 HA SER A 62 5.628 -14.530 2.215 1.00 0.00 H new ATOM 0 HB2 SER A 62 2.726 -14.558 1.371 1.00 0.00 H new ATOM 0 HB3 SER A 62 3.963 -14.983 0.204 1.00 0.00 H new ATOM 0 HG SER A 62 4.247 -16.193 2.709 1.00 0.00 H new ATOM 832 N LYS A 63 6.378 -12.713 0.731 1.00 0.00 N ATOM 833 CA LYS A 63 6.863 -11.666 -0.160 1.00 0.00 C ATOM 834 C LYS A 63 6.086 -11.665 -1.473 1.00 0.00 C ATOM 835 O LYS A 63 5.362 -12.613 -1.778 1.00 0.00 O ATOM 836 CB LYS A 63 8.356 -11.856 -0.439 1.00 0.00 C ATOM 837 CG LYS A 63 9.253 -11.324 0.665 1.00 0.00 C ATOM 838 CD LYS A 63 9.551 -9.846 0.478 1.00 0.00 C ATOM 839 CE LYS A 63 10.777 -9.630 -0.396 1.00 0.00 C ATOM 840 NZ LYS A 63 10.854 -8.234 -0.908 1.00 0.00 N ATOM 0 H LYS A 63 7.108 -13.319 1.106 1.00 0.00 H new ATOM 0 HA LYS A 63 6.711 -10.706 0.333 1.00 0.00 H new ATOM 0 HB2 LYS A 63 8.558 -12.918 -0.580 1.00 0.00 H new ATOM 0 HB3 LYS A 63 8.609 -11.356 -1.374 1.00 0.00 H new ATOM 0 HG2 LYS A 63 8.774 -11.480 1.631 1.00 0.00 H new ATOM 0 HG3 LYS A 63 10.187 -11.886 0.678 1.00 0.00 H new ATOM 0 HD2 LYS A 63 8.690 -9.355 0.026 1.00 0.00 H new ATOM 0 HD3 LYS A 63 9.710 -9.380 1.451 1.00 0.00 H new ATOM 0 HE2 LYS A 63 11.676 -9.857 0.177 1.00 0.00 H new ATOM 0 HE3 LYS A 63 10.751 -10.324 -1.236 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 11.703 -8.127 -1.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 10.008 -8.025 -1.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 10.905 -7.573 -0.107 1.00 0.00 H new ATOM 854 N VAL A 64 6.241 -10.595 -2.246 1.00 0.00 N ATOM 855 CA VAL A 64 5.556 -10.473 -3.528 1.00 0.00 C ATOM 856 C VAL A 64 6.399 -9.689 -4.528 1.00 0.00 C ATOM 857 O VAL A 64 7.040 -8.699 -4.176 1.00 0.00 O ATOM 858 CB VAL A 64 4.190 -9.780 -3.370 1.00 0.00 C ATOM 859 CG1 VAL A 64 3.252 -10.634 -2.531 1.00 0.00 C ATOM 860 CG2 VAL A 64 4.362 -8.399 -2.754 1.00 0.00 C ATOM 0 H VAL A 64 6.834 -9.800 -2.007 1.00 0.00 H new ATOM 0 HA VAL A 64 5.400 -11.485 -3.902 1.00 0.00 H new ATOM 0 HB VAL A 64 3.746 -9.659 -4.358 1.00 0.00 H new ATOM 0 HG11 VAL A 64 2.292 -10.128 -2.430 1.00 0.00 H new ATOM 0 HG12 VAL A 64 3.105 -11.598 -3.017 1.00 0.00 H new ATOM 0 HG13 VAL A 64 3.686 -10.788 -1.543 1.00 0.00 H new ATOM 0 HG21 VAL A 64 3.387 -7.923 -2.649 1.00 0.00 H new ATOM 0 HG22 VAL A 64 4.827 -8.494 -1.773 1.00 0.00 H new ATOM 0 HG23 VAL A 64 4.996 -7.790 -3.398 1.00 0.00 H new ATOM 870 N LYS A 65 6.392 -10.139 -5.779 1.00 0.00 N ATOM 871 CA LYS A 65 7.153 -9.480 -6.833 1.00 0.00 C ATOM 872 C LYS A 65 6.586 -8.095 -7.130 1.00 0.00 C ATOM 873 O LYS A 65 5.640 -7.955 -7.904 1.00 0.00 O ATOM 874 CB LYS A 65 7.143 -10.330 -8.105 1.00 0.00 C ATOM 875 CG LYS A 65 8.318 -10.058 -9.029 1.00 0.00 C ATOM 876 CD LYS A 65 9.545 -10.855 -8.620 1.00 0.00 C ATOM 877 CE LYS A 65 10.626 -10.801 -9.689 1.00 0.00 C ATOM 878 NZ LYS A 65 10.288 -11.650 -10.864 1.00 0.00 N ATOM 0 H LYS A 65 5.867 -10.958 -6.087 1.00 0.00 H new ATOM 0 HA LYS A 65 8.180 -9.366 -6.487 1.00 0.00 H new ATOM 0 HB2 LYS A 65 7.147 -11.384 -7.827 1.00 0.00 H new ATOM 0 HB3 LYS A 65 6.215 -10.146 -8.647 1.00 0.00 H new ATOM 0 HG2 LYS A 65 8.043 -10.311 -10.053 1.00 0.00 H new ATOM 0 HG3 LYS A 65 8.553 -8.994 -9.016 1.00 0.00 H new ATOM 0 HD2 LYS A 65 9.939 -10.463 -7.682 1.00 0.00 H new ATOM 0 HD3 LYS A 65 9.263 -11.892 -8.438 1.00 0.00 H new ATOM 0 HE2 LYS A 65 10.764 -9.770 -10.014 1.00 0.00 H new ATOM 0 HE3 LYS A 65 11.574 -11.131 -9.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 11.104 -11.694 -11.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 10.049 -12.609 -10.542 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 9.474 -11.240 -11.366 1.00 0.00 H new ATOM 892 N MET A 66 7.172 -7.076 -6.511 1.00 0.00 N ATOM 893 CA MET A 66 6.726 -5.702 -6.711 1.00 0.00 C ATOM 894 C MET A 66 7.320 -5.119 -7.989 1.00 0.00 C ATOM 895 O MET A 66 8.502 -5.306 -8.277 1.00 0.00 O ATOM 896 CB MET A 66 7.116 -4.836 -5.512 1.00 0.00 C ATOM 897 CG MET A 66 6.072 -4.822 -4.407 1.00 0.00 C ATOM 898 SD MET A 66 6.779 -4.456 -2.789 1.00 0.00 S ATOM 899 CE MET A 66 7.626 -2.916 -3.130 1.00 0.00 C ATOM 0 H MET A 66 7.957 -7.175 -5.867 1.00 0.00 H new ATOM 0 HA MET A 66 5.640 -5.709 -6.806 1.00 0.00 H new ATOM 0 HB2 MET A 66 8.060 -5.198 -5.104 1.00 0.00 H new ATOM 0 HB3 MET A 66 7.287 -3.815 -5.852 1.00 0.00 H new ATOM 0 HG2 MET A 66 5.309 -4.080 -4.642 1.00 0.00 H new ATOM 0 HG3 MET A 66 5.574 -5.791 -4.371 1.00 0.00 H new ATOM 0 HE1 MET A 66 8.024 -2.507 -2.202 1.00 0.00 H new ATOM 0 HE2 MET A 66 8.444 -3.097 -3.827 1.00 0.00 H new ATOM 0 HE3 MET A 66 6.926 -2.205 -3.569 1.00 0.00 H new ATOM 909 N ASP A 67 6.493 -4.412 -8.752 1.00 0.00 N ATOM 910 CA ASP A 67 6.937 -3.801 -9.999 1.00 0.00 C ATOM 911 C ASP A 67 6.646 -2.303 -10.004 1.00 0.00 C ATOM 912 O ASP A 67 5.674 -1.848 -9.402 1.00 0.00 O ATOM 913 CB ASP A 67 6.253 -4.470 -11.192 1.00 0.00 C ATOM 914 CG ASP A 67 6.802 -5.855 -11.473 1.00 0.00 C ATOM 915 OD1 ASP A 67 6.922 -6.650 -10.518 1.00 0.00 O ATOM 916 OD2 ASP A 67 7.113 -6.143 -12.648 1.00 0.00 O ATOM 0 H ASP A 67 5.511 -4.248 -8.528 1.00 0.00 H new ATOM 0 HA ASP A 67 8.014 -3.944 -10.081 1.00 0.00 H new ATOM 0 HB2 ASP A 67 5.182 -4.539 -11.001 1.00 0.00 H new ATOM 0 HB3 ASP A 67 6.380 -3.846 -12.077 1.00 0.00 H new ATOM 921 N CYS A 68 7.496 -1.543 -10.687 1.00 0.00 N ATOM 922 CA CYS A 68 7.331 -0.096 -10.768 1.00 0.00 C ATOM 923 C CYS A 68 7.694 0.414 -12.159 1.00 0.00 C ATOM 924 O CYS A 68 8.771 0.119 -12.676 1.00 0.00 O ATOM 925 CB CYS A 68 8.197 0.597 -9.715 1.00 0.00 C ATOM 926 SG CYS A 68 7.525 2.169 -9.126 1.00 0.00 S ATOM 0 H CYS A 68 8.305 -1.905 -11.192 1.00 0.00 H new ATOM 0 HA CYS A 68 6.284 0.138 -10.576 1.00 0.00 H new ATOM 0 HB2 CYS A 68 8.323 -0.073 -8.865 1.00 0.00 H new ATOM 0 HB3 CYS A 68 9.188 0.772 -10.133 1.00 0.00 H new ATOM 0 HG CYS A 68 8.326 2.678 -8.237 1.00 0.00 H new ATOM 932 N GLN A 69 6.788 1.180 -12.758 1.00 0.00 N ATOM 933 CA GLN A 69 7.013 1.729 -14.090 1.00 0.00 C ATOM 934 C GLN A 69 6.816 3.242 -14.095 1.00 0.00 C ATOM 935 O GLN A 69 6.062 3.781 -13.285 1.00 0.00 O ATOM 936 CB GLN A 69 6.068 1.077 -15.100 1.00 0.00 C ATOM 937 CG GLN A 69 6.599 1.085 -16.524 1.00 0.00 C ATOM 938 CD GLN A 69 5.510 0.862 -17.555 1.00 0.00 C ATOM 939 OE1 GLN A 69 4.503 0.209 -17.279 1.00 0.00 O ATOM 940 NE2 GLN A 69 5.707 1.404 -18.751 1.00 0.00 N ATOM 0 H GLN A 69 5.892 1.434 -12.342 1.00 0.00 H new ATOM 0 HA GLN A 69 8.043 1.513 -14.375 1.00 0.00 H new ATOM 0 HB2 GLN A 69 5.881 0.047 -14.797 1.00 0.00 H new ATOM 0 HB3 GLN A 69 5.110 1.596 -15.076 1.00 0.00 H new ATOM 0 HG2 GLN A 69 7.089 2.039 -16.719 1.00 0.00 H new ATOM 0 HG3 GLN A 69 7.358 0.309 -16.629 1.00 0.00 H new ATOM 0 HE21 GLN A 69 6.557 1.937 -18.936 1.00 0.00 H new ATOM 0 HE22 GLN A 69 5.009 1.287 -19.485 1.00 0.00 H new ATOM 949 N GLU A 70 7.499 3.919 -15.012 1.00 0.00 N ATOM 950 CA GLU A 70 7.399 5.370 -15.121 1.00 0.00 C ATOM 951 C GLU A 70 6.178 5.771 -15.944 1.00 0.00 C ATOM 952 O GLU A 70 6.117 5.524 -17.149 1.00 0.00 O ATOM 953 CB GLU A 70 8.666 5.945 -15.757 1.00 0.00 C ATOM 954 CG GLU A 70 8.900 7.410 -15.431 1.00 0.00 C ATOM 955 CD GLU A 70 10.368 7.788 -15.464 1.00 0.00 C ATOM 956 OE1 GLU A 70 11.121 7.317 -14.586 1.00 0.00 O ATOM 957 OE2 GLU A 70 10.764 8.555 -16.366 1.00 0.00 O ATOM 0 H GLU A 70 8.127 3.487 -15.690 1.00 0.00 H new ATOM 0 HA GLU A 70 7.289 5.777 -14.116 1.00 0.00 H new ATOM 0 HB2 GLU A 70 9.526 5.365 -15.422 1.00 0.00 H new ATOM 0 HB3 GLU A 70 8.605 5.828 -16.839 1.00 0.00 H new ATOM 0 HG2 GLU A 70 8.353 8.028 -16.143 1.00 0.00 H new ATOM 0 HG3 GLU A 70 8.495 7.628 -14.443 1.00 0.00 H new ATOM 964 N THR A 71 5.204 6.392 -15.283 1.00 0.00 N ATOM 965 CA THR A 71 3.984 6.826 -15.951 1.00 0.00 C ATOM 966 C THR A 71 3.856 8.344 -15.930 1.00 0.00 C ATOM 967 O THR A 71 4.362 9.022 -15.035 1.00 0.00 O ATOM 968 CB THR A 71 2.735 6.207 -15.296 1.00 0.00 C ATOM 969 OG1 THR A 71 2.664 6.590 -13.918 1.00 0.00 O ATOM 970 CG2 THR A 71 2.761 4.690 -15.405 1.00 0.00 C ATOM 0 H THR A 71 5.238 6.605 -14.286 1.00 0.00 H new ATOM 0 HA THR A 71 4.050 6.485 -16.984 1.00 0.00 H new ATOM 0 HB THR A 71 1.855 6.578 -15.822 1.00 0.00 H new ATOM 0 HG1 THR A 71 1.866 6.194 -13.509 1.00 0.00 H new ATOM 0 HG21 THR A 71 1.869 4.276 -14.935 1.00 0.00 H new ATOM 0 HG22 THR A 71 2.785 4.401 -16.456 1.00 0.00 H new ATOM 0 HG23 THR A 71 3.648 4.304 -14.902 1.00 0.00 H new ATOM 978 N PRO A 72 3.163 8.895 -16.938 1.00 0.00 N ATOM 979 CA PRO A 72 2.951 10.341 -17.056 1.00 0.00 C ATOM 980 C PRO A 72 2.009 10.878 -15.985 1.00 0.00 C ATOM 981 O PRO A 72 1.947 12.084 -15.749 1.00 0.00 O ATOM 982 CB PRO A 72 2.326 10.495 -18.445 1.00 0.00 C ATOM 983 CG PRO A 72 1.676 9.182 -18.716 1.00 0.00 C ATOM 984 CD PRO A 72 2.533 8.148 -18.039 1.00 0.00 C ATOM 0 HA PRO A 72 3.877 10.901 -16.926 1.00 0.00 H new ATOM 0 HB2 PRO A 72 1.600 11.308 -18.464 1.00 0.00 H new ATOM 0 HB3 PRO A 72 3.082 10.725 -19.196 1.00 0.00 H new ATOM 0 HG2 PRO A 72 0.659 9.162 -18.325 1.00 0.00 H new ATOM 0 HG3 PRO A 72 1.610 8.993 -19.787 1.00 0.00 H new ATOM 0 HD2 PRO A 72 1.938 7.313 -17.669 1.00 0.00 H new ATOM 0 HD3 PRO A 72 3.276 7.733 -18.720 1.00 0.00 H new ATOM 992 N GLU A 73 1.276 9.975 -15.340 1.00 0.00 N ATOM 993 CA GLU A 73 0.337 10.360 -14.294 1.00 0.00 C ATOM 994 C GLU A 73 0.974 10.226 -12.914 1.00 0.00 C ATOM 995 O GLU A 73 0.532 10.852 -11.951 1.00 0.00 O ATOM 996 CB GLU A 73 -0.927 9.500 -14.371 1.00 0.00 C ATOM 997 CG GLU A 73 -2.006 9.916 -13.386 1.00 0.00 C ATOM 998 CD GLU A 73 -3.368 9.350 -13.739 1.00 0.00 C ATOM 999 OE1 GLU A 73 -4.005 9.879 -14.673 1.00 0.00 O ATOM 1000 OE2 GLU A 73 -3.796 8.378 -13.082 1.00 0.00 O ATOM 0 H GLU A 73 1.315 8.972 -15.524 1.00 0.00 H new ATOM 0 HA GLU A 73 0.067 11.405 -14.450 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -1.330 9.551 -15.382 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -0.660 8.459 -14.187 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -1.727 9.584 -12.386 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -2.065 11.004 -13.356 1.00 0.00 H new ATOM 1007 N GLY A 74 2.015 9.404 -12.827 1.00 0.00 N ATOM 1008 CA GLY A 74 2.696 9.202 -11.561 1.00 0.00 C ATOM 1009 C GLY A 74 3.557 7.954 -11.559 1.00 0.00 C ATOM 1010 O GLY A 74 4.638 7.936 -12.149 1.00 0.00 O ATOM 0 H GLY A 74 2.399 8.875 -13.610 1.00 0.00 H new ATOM 0 HA2 GLY A 74 3.319 10.070 -11.344 1.00 0.00 H new ATOM 0 HA3 GLY A 74 1.958 9.132 -10.762 1.00 0.00 H new ATOM 1014 N TYR A 75 3.079 6.909 -10.894 1.00 0.00 N ATOM 1015 CA TYR A 75 3.814 5.652 -10.814 1.00 0.00 C ATOM 1016 C TYR A 75 2.861 4.474 -10.640 1.00 0.00 C ATOM 1017 O TYR A 75 2.021 4.466 -9.740 1.00 0.00 O ATOM 1018 CB TYR A 75 4.810 5.693 -9.654 1.00 0.00 C ATOM 1019 CG TYR A 75 5.734 6.889 -9.690 1.00 0.00 C ATOM 1020 CD1 TYR A 75 6.736 6.988 -10.648 1.00 0.00 C ATOM 1021 CD2 TYR A 75 5.606 7.920 -8.768 1.00 0.00 C ATOM 1022 CE1 TYR A 75 7.583 8.079 -10.685 1.00 0.00 C ATOM 1023 CE2 TYR A 75 6.447 9.015 -8.798 1.00 0.00 C ATOM 1024 CZ TYR A 75 7.434 9.090 -9.758 1.00 0.00 C ATOM 1025 OH TYR A 75 8.275 10.179 -9.791 1.00 0.00 O ATOM 0 H TYR A 75 2.185 6.907 -10.402 1.00 0.00 H new ATOM 0 HA TYR A 75 4.360 5.519 -11.748 1.00 0.00 H new ATOM 0 HB2 TYR A 75 4.259 5.698 -8.713 1.00 0.00 H new ATOM 0 HB3 TYR A 75 5.408 4.782 -9.668 1.00 0.00 H new ATOM 0 HD1 TYR A 75 6.855 6.199 -11.376 1.00 0.00 H new ATOM 0 HD2 TYR A 75 4.835 7.864 -8.014 1.00 0.00 H new ATOM 0 HE1 TYR A 75 8.357 8.140 -11.435 1.00 0.00 H new ATOM 0 HE2 TYR A 75 6.332 9.808 -8.074 1.00 0.00 H new ATOM 0 HH TYR A 75 8.035 10.799 -9.071 1.00 0.00 H new ATOM 1035 N LYS A 76 2.999 3.477 -11.507 1.00 0.00 N ATOM 1036 CA LYS A 76 2.154 2.290 -11.451 1.00 0.00 C ATOM 1037 C LYS A 76 2.795 1.205 -10.591 1.00 0.00 C ATOM 1038 O LYS A 76 3.995 0.948 -10.692 1.00 0.00 O ATOM 1039 CB LYS A 76 1.898 1.754 -12.861 1.00 0.00 C ATOM 1040 CG LYS A 76 0.776 0.732 -12.928 1.00 0.00 C ATOM 1041 CD LYS A 76 -0.583 1.381 -12.729 1.00 0.00 C ATOM 1042 CE LYS A 76 -1.678 0.619 -13.460 1.00 0.00 C ATOM 1043 NZ LYS A 76 -3.029 0.933 -12.918 1.00 0.00 N ATOM 0 H LYS A 76 3.689 3.467 -12.258 1.00 0.00 H new ATOM 0 HA LYS A 76 1.203 2.573 -10.998 1.00 0.00 H new ATOM 0 HB2 LYS A 76 1.658 2.588 -13.520 1.00 0.00 H new ATOM 0 HB3 LYS A 76 2.814 1.301 -13.241 1.00 0.00 H new ATOM 0 HG2 LYS A 76 0.801 0.226 -13.893 1.00 0.00 H new ATOM 0 HG3 LYS A 76 0.931 -0.030 -12.165 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -0.815 1.422 -11.665 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -0.552 2.410 -13.088 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -1.646 0.866 -14.521 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -1.493 -0.452 -13.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -3.690 0.170 -13.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -2.977 1.018 -11.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -3.365 1.830 -13.322 1.00 0.00 H new ATOM 1057 N VAL A 77 1.988 0.570 -9.747 1.00 0.00 N ATOM 1058 CA VAL A 77 2.477 -0.489 -8.873 1.00 0.00 C ATOM 1059 C VAL A 77 1.676 -1.772 -9.064 1.00 0.00 C ATOM 1060 O VAL A 77 0.462 -1.794 -8.865 1.00 0.00 O ATOM 1061 CB VAL A 77 2.409 -0.070 -7.392 1.00 0.00 C ATOM 1062 CG1 VAL A 77 2.824 -1.223 -6.491 1.00 0.00 C ATOM 1063 CG2 VAL A 77 3.280 1.152 -7.144 1.00 0.00 C ATOM 0 H VAL A 77 0.993 0.771 -9.650 1.00 0.00 H new ATOM 0 HA VAL A 77 3.517 -0.669 -9.145 1.00 0.00 H new ATOM 0 HB VAL A 77 1.378 0.193 -7.153 1.00 0.00 H new ATOM 0 HG11 VAL A 77 2.770 -0.908 -5.449 1.00 0.00 H new ATOM 0 HG12 VAL A 77 2.154 -2.068 -6.650 1.00 0.00 H new ATOM 0 HG13 VAL A 77 3.846 -1.520 -6.727 1.00 0.00 H new ATOM 0 HG21 VAL A 77 3.220 1.434 -6.093 1.00 0.00 H new ATOM 0 HG22 VAL A 77 4.314 0.920 -7.399 1.00 0.00 H new ATOM 0 HG23 VAL A 77 2.931 1.979 -7.762 1.00 0.00 H new ATOM 1073 N MET A 78 2.365 -2.841 -9.450 1.00 0.00 N ATOM 1074 CA MET A 78 1.719 -4.130 -9.666 1.00 0.00 C ATOM 1075 C MET A 78 2.295 -5.190 -8.734 1.00 0.00 C ATOM 1076 O MET A 78 3.507 -5.400 -8.690 1.00 0.00 O ATOM 1077 CB MET A 78 1.884 -4.570 -11.122 1.00 0.00 C ATOM 1078 CG MET A 78 1.482 -3.503 -12.128 1.00 0.00 C ATOM 1079 SD MET A 78 2.352 -3.667 -13.699 1.00 0.00 S ATOM 1080 CE MET A 78 3.735 -2.560 -13.436 1.00 0.00 C ATOM 0 H MET A 78 3.371 -2.840 -9.620 1.00 0.00 H new ATOM 0 HA MET A 78 0.657 -4.017 -9.446 1.00 0.00 H new ATOM 0 HB2 MET A 78 2.924 -4.846 -11.294 1.00 0.00 H new ATOM 0 HB3 MET A 78 1.284 -5.464 -11.293 1.00 0.00 H new ATOM 0 HG2 MET A 78 0.408 -3.561 -12.304 1.00 0.00 H new ATOM 0 HG3 MET A 78 1.683 -2.518 -11.707 1.00 0.00 H new ATOM 0 HE1 MET A 78 4.387 -2.579 -14.309 1.00 0.00 H new ATOM 0 HE2 MET A 78 3.365 -1.546 -13.281 1.00 0.00 H new ATOM 0 HE3 MET A 78 4.295 -2.880 -12.557 1.00 0.00 H new ATOM 1090 N TYR A 79 1.419 -5.856 -7.990 1.00 0.00 N ATOM 1091 CA TYR A 79 1.842 -6.894 -7.056 1.00 0.00 C ATOM 1092 C TYR A 79 0.843 -8.047 -7.035 1.00 0.00 C ATOM 1093 O TYR A 79 -0.362 -7.839 -6.895 1.00 0.00 O ATOM 1094 CB TYR A 79 1.995 -6.311 -5.650 1.00 0.00 C ATOM 1095 CG TYR A 79 0.678 -5.994 -4.978 1.00 0.00 C ATOM 1096 CD1 TYR A 79 -0.101 -7.002 -4.423 1.00 0.00 C ATOM 1097 CD2 TYR A 79 0.213 -4.688 -4.900 1.00 0.00 C ATOM 1098 CE1 TYR A 79 -1.306 -6.717 -3.809 1.00 0.00 C ATOM 1099 CE2 TYR A 79 -0.990 -4.393 -4.287 1.00 0.00 C ATOM 1100 CZ TYR A 79 -1.745 -5.411 -3.743 1.00 0.00 C ATOM 1101 OH TYR A 79 -2.944 -5.123 -3.133 1.00 0.00 O ATOM 0 H TYR A 79 0.412 -5.696 -8.015 1.00 0.00 H new ATOM 0 HA TYR A 79 2.806 -7.278 -7.390 1.00 0.00 H new ATOM 0 HB2 TYR A 79 2.548 -7.018 -5.031 1.00 0.00 H new ATOM 0 HB3 TYR A 79 2.593 -5.401 -5.706 1.00 0.00 H new ATOM 0 HD1 TYR A 79 0.241 -8.025 -4.472 1.00 0.00 H new ATOM 0 HD2 TYR A 79 0.802 -3.889 -5.326 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -1.900 -7.512 -3.383 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -1.337 -3.372 -4.234 1.00 0.00 H new ATOM 0 HH TYR A 79 -3.661 -5.130 -3.801 1.00 0.00 H new ATOM 1111 N THR A 80 1.355 -9.266 -7.174 1.00 0.00 N ATOM 1112 CA THR A 80 0.510 -10.454 -7.172 1.00 0.00 C ATOM 1113 C THR A 80 0.891 -11.397 -6.036 1.00 0.00 C ATOM 1114 O THR A 80 1.937 -12.047 -6.061 1.00 0.00 O ATOM 1115 CB THR A 80 0.605 -11.214 -8.509 1.00 0.00 C ATOM 1116 OG1 THR A 80 0.656 -10.285 -9.597 1.00 0.00 O ATOM 1117 CG2 THR A 80 -0.583 -12.147 -8.686 1.00 0.00 C ATOM 0 H THR A 80 2.350 -9.456 -7.289 1.00 0.00 H new ATOM 0 HA THR A 80 -0.515 -10.113 -7.029 1.00 0.00 H new ATOM 0 HB THR A 80 1.517 -11.811 -8.499 1.00 0.00 H new ATOM 0 HG1 THR A 80 1.172 -10.673 -10.334 1.00 0.00 H new ATOM 0 HG21 THR A 80 -0.494 -12.673 -9.637 1.00 0.00 H new ATOM 0 HG22 THR A 80 -0.602 -12.871 -7.871 1.00 0.00 H new ATOM 0 HG23 THR A 80 -1.506 -11.567 -8.677 1.00 0.00 H new ATOM 1125 N PRO A 81 0.024 -11.477 -5.016 1.00 0.00 N ATOM 1126 CA PRO A 81 0.248 -12.340 -3.852 1.00 0.00 C ATOM 1127 C PRO A 81 0.130 -13.820 -4.197 1.00 0.00 C ATOM 1128 O PRO A 81 -0.620 -14.200 -5.096 1.00 0.00 O ATOM 1129 CB PRO A 81 -0.863 -11.925 -2.884 1.00 0.00 C ATOM 1130 CG PRO A 81 -1.940 -11.378 -3.756 1.00 0.00 C ATOM 1131 CD PRO A 81 -1.242 -10.731 -4.920 1.00 0.00 C ATOM 0 HA PRO A 81 1.252 -12.223 -3.445 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -1.219 -12.775 -2.302 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -0.510 -11.177 -2.174 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -2.609 -12.170 -4.093 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -2.550 -10.654 -3.215 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -1.827 -10.813 -5.836 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -1.070 -9.669 -4.746 1.00 0.00 H new ATOM 1139 N MET A 82 0.874 -14.653 -3.476 1.00 0.00 N ATOM 1140 CA MET A 82 0.850 -16.092 -3.705 1.00 0.00 C ATOM 1141 C MET A 82 0.248 -16.824 -2.509 1.00 0.00 C ATOM 1142 O MET A 82 -0.333 -17.899 -2.655 1.00 0.00 O ATOM 1143 CB MET A 82 2.264 -16.611 -3.976 1.00 0.00 C ATOM 1144 CG MET A 82 2.352 -18.127 -4.047 1.00 0.00 C ATOM 1145 SD MET A 82 3.952 -18.702 -4.647 1.00 0.00 S ATOM 1146 CE MET A 82 3.515 -19.265 -6.290 1.00 0.00 C ATOM 0 H MET A 82 1.501 -14.355 -2.728 1.00 0.00 H new ATOM 0 HA MET A 82 0.226 -16.285 -4.578 1.00 0.00 H new ATOM 0 HB2 MET A 82 2.623 -16.190 -4.915 1.00 0.00 H new ATOM 0 HB3 MET A 82 2.930 -16.253 -3.191 1.00 0.00 H new ATOM 0 HG2 MET A 82 2.168 -18.545 -3.057 1.00 0.00 H new ATOM 0 HG3 MET A 82 1.566 -18.502 -4.702 1.00 0.00 H new ATOM 0 HE1 MET A 82 4.403 -19.651 -6.791 1.00 0.00 H new ATOM 0 HE2 MET A 82 2.767 -20.055 -6.217 1.00 0.00 H new ATOM 0 HE3 MET A 82 3.108 -18.432 -6.864 1.00 0.00 H new ATOM 1156 N ALA A 83 0.392 -16.233 -1.327 1.00 0.00 N ATOM 1157 CA ALA A 83 -0.139 -16.828 -0.107 1.00 0.00 C ATOM 1158 C ALA A 83 -1.048 -15.850 0.630 1.00 0.00 C ATOM 1159 O ALA A 83 -0.814 -14.642 0.649 1.00 0.00 O ATOM 1160 CB ALA A 83 0.997 -17.280 0.798 1.00 0.00 C ATOM 0 H ALA A 83 0.872 -15.343 -1.189 1.00 0.00 H new ATOM 0 HA ALA A 83 -0.734 -17.697 -0.386 1.00 0.00 H new ATOM 0 HB1 ALA A 83 0.585 -17.722 1.705 1.00 0.00 H new ATOM 0 HB2 ALA A 83 1.605 -18.020 0.277 1.00 0.00 H new ATOM 0 HB3 ALA A 83 1.616 -16.422 1.061 1.00 0.00 H new ATOM 1166 N PRO A 84 -2.111 -16.382 1.252 1.00 0.00 N ATOM 1167 CA PRO A 84 -3.076 -15.573 2.002 1.00 0.00 C ATOM 1168 C PRO A 84 -2.483 -15.008 3.288 1.00 0.00 C ATOM 1169 O PRO A 84 -1.398 -15.405 3.710 1.00 0.00 O ATOM 1170 CB PRO A 84 -4.198 -16.565 2.321 1.00 0.00 C ATOM 1171 CG PRO A 84 -3.538 -17.900 2.307 1.00 0.00 C ATOM 1172 CD PRO A 84 -2.451 -17.815 1.271 1.00 0.00 C ATOM 0 HA PRO A 84 -3.406 -14.703 1.435 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -4.647 -16.356 3.292 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -4.997 -16.510 1.581 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -3.125 -18.141 3.287 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -4.252 -18.686 2.060 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -1.591 -18.429 1.539 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -2.797 -18.159 0.296 1.00 0.00 H new ATOM 1180 N GLY A 85 -3.204 -14.078 3.908 1.00 0.00 N ATOM 1181 CA GLY A 85 -2.733 -13.474 5.141 1.00 0.00 C ATOM 1182 C GLY A 85 -2.933 -11.971 5.163 1.00 0.00 C ATOM 1183 O GLY A 85 -3.622 -11.418 4.307 1.00 0.00 O ATOM 0 H GLY A 85 -4.105 -13.732 3.578 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -3.259 -13.920 5.985 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -1.674 -13.699 5.271 1.00 0.00 H new ATOM 1187 N ASN A 86 -2.329 -11.310 6.145 1.00 0.00 N ATOM 1188 CA ASN A 86 -2.446 -9.862 6.276 1.00 0.00 C ATOM 1189 C ASN A 86 -1.279 -9.158 5.592 1.00 0.00 C ATOM 1190 O ASN A 86 -0.115 -9.443 5.876 1.00 0.00 O ATOM 1191 CB ASN A 86 -2.501 -9.466 7.753 1.00 0.00 C ATOM 1192 CG ASN A 86 -1.271 -9.917 8.518 1.00 0.00 C ATOM 1193 OD1 ASN A 86 -0.420 -10.628 7.984 1.00 0.00 O ATOM 1194 ND2 ASN A 86 -1.173 -9.505 9.777 1.00 0.00 N ATOM 0 H ASN A 86 -1.754 -11.753 6.861 1.00 0.00 H new ATOM 0 HA ASN A 86 -3.370 -9.551 5.789 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -2.599 -8.383 7.833 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -3.390 -9.901 8.210 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -0.368 -9.777 10.342 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -1.902 -8.916 10.179 1.00 0.00 H new ATOM 1201 N TYR A 87 -1.598 -8.237 4.689 1.00 0.00 N ATOM 1202 CA TYR A 87 -0.577 -7.493 3.963 1.00 0.00 C ATOM 1203 C TYR A 87 -0.671 -6.000 4.266 1.00 0.00 C ATOM 1204 O TYR A 87 -1.753 -5.475 4.530 1.00 0.00 O ATOM 1205 CB TYR A 87 -0.717 -7.729 2.458 1.00 0.00 C ATOM 1206 CG TYR A 87 -0.219 -9.084 2.008 1.00 0.00 C ATOM 1207 CD1 TYR A 87 -0.856 -10.250 2.416 1.00 0.00 C ATOM 1208 CD2 TYR A 87 0.888 -9.198 1.177 1.00 0.00 C ATOM 1209 CE1 TYR A 87 -0.404 -11.490 2.008 1.00 0.00 C ATOM 1210 CE2 TYR A 87 1.346 -10.434 0.763 1.00 0.00 C ATOM 1211 CZ TYR A 87 0.697 -11.577 1.182 1.00 0.00 C ATOM 1212 OH TYR A 87 1.151 -12.810 0.773 1.00 0.00 O ATOM 0 H TYR A 87 -2.556 -7.988 4.443 1.00 0.00 H new ATOM 0 HA TYR A 87 0.399 -7.851 4.291 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -1.766 -7.626 2.179 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -0.167 -6.954 1.925 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -1.719 -10.186 3.063 1.00 0.00 H new ATOM 0 HD2 TYR A 87 1.400 -8.305 0.849 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -0.910 -12.387 2.334 1.00 0.00 H new ATOM 0 HE2 TYR A 87 2.207 -10.505 0.115 1.00 0.00 H new ATOM 0 HH TYR A 87 0.390 -13.415 0.652 1.00 0.00 H new ATOM 1222 N LEU A 88 0.471 -5.322 4.225 1.00 0.00 N ATOM 1223 CA LEU A 88 0.520 -3.889 4.495 1.00 0.00 C ATOM 1224 C LEU A 88 1.248 -3.150 3.377 1.00 0.00 C ATOM 1225 O LEU A 88 2.321 -3.567 2.940 1.00 0.00 O ATOM 1226 CB LEU A 88 1.212 -3.625 5.833 1.00 0.00 C ATOM 1227 CG LEU A 88 0.995 -2.238 6.439 1.00 0.00 C ATOM 1228 CD1 LEU A 88 -0.252 -2.226 7.310 1.00 0.00 C ATOM 1229 CD2 LEU A 88 2.214 -1.811 7.243 1.00 0.00 C ATOM 0 H LEU A 88 1.375 -5.741 4.007 1.00 0.00 H new ATOM 0 HA LEU A 88 -0.504 -3.518 4.544 1.00 0.00 H new ATOM 0 HB2 LEU A 88 0.869 -4.371 6.550 1.00 0.00 H new ATOM 0 HB3 LEU A 88 2.283 -3.779 5.702 1.00 0.00 H new ATOM 0 HG LEU A 88 0.853 -1.525 5.627 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -0.391 -1.231 7.733 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -1.121 -2.488 6.706 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -0.140 -2.951 8.116 1.00 0.00 H new ATOM 0 HD21 LEU A 88 2.042 -0.822 7.667 1.00 0.00 H new ATOM 0 HD22 LEU A 88 2.388 -2.525 8.048 1.00 0.00 H new ATOM 0 HD23 LEU A 88 3.087 -1.780 6.591 1.00 0.00 H new ATOM 1241 N ILE A 89 0.660 -2.049 2.922 1.00 0.00 N ATOM 1242 CA ILE A 89 1.255 -1.250 1.858 1.00 0.00 C ATOM 1243 C ILE A 89 1.516 0.179 2.324 1.00 0.00 C ATOM 1244 O ILE A 89 0.582 0.947 2.556 1.00 0.00 O ATOM 1245 CB ILE A 89 0.354 -1.214 0.609 1.00 0.00 C ATOM 1246 CG1 ILE A 89 -0.055 -2.633 0.208 1.00 0.00 C ATOM 1247 CG2 ILE A 89 1.069 -0.519 -0.540 1.00 0.00 C ATOM 1248 CD1 ILE A 89 -1.324 -2.686 -0.614 1.00 0.00 C ATOM 0 H ILE A 89 -0.228 -1.690 3.273 1.00 0.00 H new ATOM 0 HA ILE A 89 2.202 -1.724 1.599 1.00 0.00 H new ATOM 0 HB ILE A 89 -0.547 -0.649 0.845 1.00 0.00 H new ATOM 0 HG12 ILE A 89 0.756 -3.089 -0.360 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -0.190 -3.232 1.109 1.00 0.00 H new ATOM 0 HG21 ILE A 89 0.420 -0.502 -1.415 1.00 0.00 H new ATOM 0 HG22 ILE A 89 1.315 0.503 -0.251 1.00 0.00 H new ATOM 0 HG23 ILE A 89 1.985 -1.059 -0.779 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -1.554 -3.722 -0.862 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -2.147 -2.259 -0.041 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -1.187 -2.115 -1.532 1.00 0.00 H new ATOM 1260 N SER A 90 2.791 0.529 2.457 1.00 0.00 N ATOM 1261 CA SER A 90 3.175 1.865 2.897 1.00 0.00 C ATOM 1262 C SER A 90 3.473 2.766 1.702 1.00 0.00 C ATOM 1263 O SER A 90 4.010 2.316 0.689 1.00 0.00 O ATOM 1264 CB SER A 90 4.399 1.791 3.811 1.00 0.00 C ATOM 1265 OG SER A 90 4.117 1.043 4.982 1.00 0.00 O ATOM 0 H SER A 90 3.576 -0.094 2.266 1.00 0.00 H new ATOM 0 HA SER A 90 2.340 2.292 3.453 1.00 0.00 H new ATOM 0 HB2 SER A 90 5.230 1.333 3.275 1.00 0.00 H new ATOM 0 HB3 SER A 90 4.713 2.798 4.086 1.00 0.00 H new ATOM 0 HG SER A 90 4.916 1.009 5.549 1.00 0.00 H new ATOM 1271 N VAL A 91 3.119 4.041 1.828 1.00 0.00 N ATOM 1272 CA VAL A 91 3.348 5.007 0.760 1.00 0.00 C ATOM 1273 C VAL A 91 3.928 6.305 1.308 1.00 0.00 C ATOM 1274 O VAL A 91 3.220 7.104 1.922 1.00 0.00 O ATOM 1275 CB VAL A 91 2.046 5.320 -0.003 1.00 0.00 C ATOM 1276 CG1 VAL A 91 2.290 6.387 -1.058 1.00 0.00 C ATOM 1277 CG2 VAL A 91 1.480 4.056 -0.631 1.00 0.00 C ATOM 0 H VAL A 91 2.673 4.429 2.659 1.00 0.00 H new ATOM 0 HA VAL A 91 4.063 4.555 0.073 1.00 0.00 H new ATOM 0 HB VAL A 91 1.313 5.705 0.706 1.00 0.00 H new ATOM 0 HG11 VAL A 91 1.360 6.595 -1.587 1.00 0.00 H new ATOM 0 HG12 VAL A 91 2.646 7.298 -0.578 1.00 0.00 H new ATOM 0 HG13 VAL A 91 3.039 6.033 -1.767 1.00 0.00 H new ATOM 0 HG21 VAL A 91 0.561 4.296 -1.166 1.00 0.00 H new ATOM 0 HG22 VAL A 91 2.207 3.639 -1.328 1.00 0.00 H new ATOM 0 HG23 VAL A 91 1.266 3.326 0.150 1.00 0.00 H new ATOM 1287 N LYS A 92 5.221 6.511 1.083 1.00 0.00 N ATOM 1288 CA LYS A 92 5.898 7.714 1.553 1.00 0.00 C ATOM 1289 C LYS A 92 6.187 8.663 0.394 1.00 0.00 C ATOM 1290 O LYS A 92 6.393 8.229 -0.740 1.00 0.00 O ATOM 1291 CB LYS A 92 7.203 7.346 2.262 1.00 0.00 C ATOM 1292 CG LYS A 92 7.002 6.841 3.680 1.00 0.00 C ATOM 1293 CD LYS A 92 8.328 6.512 4.348 1.00 0.00 C ATOM 1294 CE LYS A 92 8.894 5.194 3.843 1.00 0.00 C ATOM 1295 NZ LYS A 92 10.266 4.943 4.367 1.00 0.00 N ATOM 0 H LYS A 92 5.822 5.860 0.578 1.00 0.00 H new ATOM 0 HA LYS A 92 5.239 8.220 2.259 1.00 0.00 H new ATOM 0 HB2 LYS A 92 7.719 6.581 1.682 1.00 0.00 H new ATOM 0 HB3 LYS A 92 7.853 8.220 2.285 1.00 0.00 H new ATOM 0 HG2 LYS A 92 6.476 7.596 4.265 1.00 0.00 H new ATOM 0 HG3 LYS A 92 6.371 5.953 3.665 1.00 0.00 H new ATOM 0 HD2 LYS A 92 9.042 7.313 4.156 1.00 0.00 H new ATOM 0 HD3 LYS A 92 8.190 6.460 5.428 1.00 0.00 H new ATOM 0 HE2 LYS A 92 8.236 4.378 4.142 1.00 0.00 H new ATOM 0 HE3 LYS A 92 8.917 5.202 2.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 10.617 4.035 4.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 10.900 5.709 4.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 10.240 4.910 5.406 1.00 0.00 H new ATOM 1309 N TYR A 93 6.202 9.959 0.686 1.00 0.00 N ATOM 1310 CA TYR A 93 6.465 10.969 -0.332 1.00 0.00 C ATOM 1311 C TYR A 93 7.056 12.230 0.292 1.00 0.00 C ATOM 1312 O TYR A 93 6.480 12.810 1.211 1.00 0.00 O ATOM 1313 CB TYR A 93 5.179 11.313 -1.083 1.00 0.00 C ATOM 1314 CG TYR A 93 5.249 12.622 -1.836 1.00 0.00 C ATOM 1315 CD1 TYR A 93 5.072 13.834 -1.181 1.00 0.00 C ATOM 1316 CD2 TYR A 93 5.494 12.647 -3.204 1.00 0.00 C ATOM 1317 CE1 TYR A 93 5.135 15.032 -1.865 1.00 0.00 C ATOM 1318 CE2 TYR A 93 5.560 13.841 -3.896 1.00 0.00 C ATOM 1319 CZ TYR A 93 5.379 15.031 -3.223 1.00 0.00 C ATOM 1320 OH TYR A 93 5.444 16.222 -3.908 1.00 0.00 O ATOM 0 H TYR A 93 6.035 10.335 1.619 1.00 0.00 H new ATOM 0 HA TYR A 93 7.190 10.559 -1.035 1.00 0.00 H new ATOM 0 HB2 TYR A 93 4.953 10.511 -1.786 1.00 0.00 H new ATOM 0 HB3 TYR A 93 4.354 11.356 -0.372 1.00 0.00 H new ATOM 0 HD1 TYR A 93 4.882 13.840 -0.118 1.00 0.00 H new ATOM 0 HD2 TYR A 93 5.635 11.717 -3.735 1.00 0.00 H new ATOM 0 HE1 TYR A 93 4.994 15.965 -1.340 1.00 0.00 H new ATOM 0 HE2 TYR A 93 5.752 13.842 -4.959 1.00 0.00 H new ATOM 0 HH TYR A 93 5.624 16.045 -4.855 1.00 0.00 H new ATOM 1330 N GLY A 94 8.211 12.649 -0.217 1.00 0.00 N ATOM 1331 CA GLY A 94 8.862 13.838 0.301 1.00 0.00 C ATOM 1332 C GLY A 94 9.702 13.551 1.530 1.00 0.00 C ATOM 1333 O GLY A 94 10.828 14.032 1.647 1.00 0.00 O ATOM 0 H GLY A 94 8.707 12.186 -0.979 1.00 0.00 H new ATOM 0 HA2 GLY A 94 9.495 14.269 -0.475 1.00 0.00 H new ATOM 0 HA3 GLY A 94 8.106 14.584 0.547 1.00 0.00 H new ATOM 1337 N GLY A 95 9.151 12.765 2.451 1.00 0.00 N ATOM 1338 CA GLY A 95 9.871 12.430 3.666 1.00 0.00 C ATOM 1339 C GLY A 95 9.290 11.219 4.368 1.00 0.00 C ATOM 1340 O GLY A 95 8.595 10.400 3.767 1.00 0.00 O ATOM 0 H GLY A 95 8.220 12.355 2.377 1.00 0.00 H new ATOM 0 HA2 GLY A 95 10.917 12.239 3.424 1.00 0.00 H new ATOM 0 HA3 GLY A 95 9.851 13.283 4.344 1.00 0.00 H new ATOM 1344 N PRO A 96 9.577 11.093 5.673 1.00 0.00 N ATOM 1345 CA PRO A 96 9.089 9.975 6.486 1.00 0.00 C ATOM 1346 C PRO A 96 7.584 10.044 6.723 1.00 0.00 C ATOM 1347 O PRO A 96 6.970 9.074 7.165 1.00 0.00 O ATOM 1348 CB PRO A 96 9.846 10.139 7.805 1.00 0.00 C ATOM 1349 CG PRO A 96 10.178 11.589 7.874 1.00 0.00 C ATOM 1350 CD PRO A 96 10.399 12.031 6.454 1.00 0.00 C ATOM 0 HA PRO A 96 9.256 9.014 6.000 1.00 0.00 H new ATOM 0 HB2 PRO A 96 9.234 9.832 8.653 1.00 0.00 H new ATOM 0 HB3 PRO A 96 10.747 9.525 7.823 1.00 0.00 H new ATOM 0 HG2 PRO A 96 9.368 12.153 8.337 1.00 0.00 H new ATOM 0 HG3 PRO A 96 11.069 11.757 8.478 1.00 0.00 H new ATOM 0 HD2 PRO A 96 10.085 13.064 6.301 1.00 0.00 H new ATOM 0 HD3 PRO A 96 11.451 11.973 6.174 1.00 0.00 H new ATOM 1358 N ASN A 97 6.996 11.199 6.426 1.00 0.00 N ATOM 1359 CA ASN A 97 5.562 11.394 6.608 1.00 0.00 C ATOM 1360 C ASN A 97 4.769 10.599 5.576 1.00 0.00 C ATOM 1361 O ASN A 97 4.986 10.734 4.371 1.00 0.00 O ATOM 1362 CB ASN A 97 5.211 12.880 6.502 1.00 0.00 C ATOM 1363 CG ASN A 97 6.105 13.748 7.367 1.00 0.00 C ATOM 1364 OD1 ASN A 97 5.972 13.770 8.591 1.00 0.00 O ATOM 1365 ND2 ASN A 97 7.023 14.468 6.732 1.00 0.00 N ATOM 0 H ASN A 97 7.490 12.013 6.059 1.00 0.00 H new ATOM 0 HA ASN A 97 5.295 11.034 7.601 1.00 0.00 H new ATOM 0 HB2 ASN A 97 5.296 13.198 5.463 1.00 0.00 H new ATOM 0 HB3 ASN A 97 4.172 13.027 6.796 1.00 0.00 H new ATOM 0 HD21 ASN A 97 7.654 15.070 7.260 1.00 0.00 H new ATOM 0 HD22 ASN A 97 7.097 14.418 5.716 1.00 0.00 H new ATOM 1372 N HIS A 98 3.848 9.769 6.056 1.00 0.00 N ATOM 1373 CA HIS A 98 3.021 8.952 5.174 1.00 0.00 C ATOM 1374 C HIS A 98 1.882 9.775 4.581 1.00 0.00 C ATOM 1375 O HIS A 98 1.527 10.831 5.106 1.00 0.00 O ATOM 1376 CB HIS A 98 2.456 7.753 5.937 1.00 0.00 C ATOM 1377 CG HIS A 98 2.090 8.064 7.355 1.00 0.00 C ATOM 1378 ND1 HIS A 98 2.930 7.819 8.421 1.00 0.00 N ATOM 1379 CD2 HIS A 98 0.966 8.605 7.881 1.00 0.00 C ATOM 1380 CE1 HIS A 98 2.339 8.194 9.541 1.00 0.00 C ATOM 1381 NE2 HIS A 98 1.145 8.675 9.241 1.00 0.00 N ATOM 0 H HIS A 98 3.656 9.644 7.050 1.00 0.00 H new ATOM 0 HA HIS A 98 3.648 8.592 4.358 1.00 0.00 H new ATOM 0 HB2 HIS A 98 1.573 7.384 5.415 1.00 0.00 H new ATOM 0 HB3 HIS A 98 3.191 6.948 5.928 1.00 0.00 H new ATOM 0 HD2 HIS A 98 0.091 8.923 7.333 1.00 0.00 H new ATOM 0 HE1 HIS A 98 2.760 8.120 10.533 1.00 0.00 H new ATOM 0 HE2 HIS A 98 0.467 9.039 9.910 1.00 0.00 H new ATOM 1389 N ILE A 99 1.313 9.286 3.484 1.00 0.00 N ATOM 1390 CA ILE A 99 0.214 9.976 2.821 1.00 0.00 C ATOM 1391 C ILE A 99 -1.123 9.626 3.464 1.00 0.00 C ATOM 1392 O ILE A 99 -1.225 8.666 4.228 1.00 0.00 O ATOM 1393 CB ILE A 99 0.156 9.630 1.321 1.00 0.00 C ATOM 1394 CG1 ILE A 99 -0.110 8.135 1.130 1.00 0.00 C ATOM 1395 CG2 ILE A 99 1.451 10.036 0.633 1.00 0.00 C ATOM 1396 CD1 ILE A 99 -0.779 7.804 -0.185 1.00 0.00 C ATOM 0 H ILE A 99 1.595 8.414 3.036 1.00 0.00 H new ATOM 0 HA ILE A 99 0.399 11.044 2.933 1.00 0.00 H new ATOM 0 HB ILE A 99 -0.664 10.186 0.866 1.00 0.00 H new ATOM 0 HG12 ILE A 99 0.835 7.595 1.194 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -0.737 7.778 1.947 1.00 0.00 H new ATOM 0 HG21 ILE A 99 1.394 9.785 -0.426 1.00 0.00 H new ATOM 0 HG22 ILE A 99 1.601 11.110 0.744 1.00 0.00 H new ATOM 0 HG23 ILE A 99 2.287 9.504 1.088 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -0.937 6.728 -0.252 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -1.740 8.316 -0.244 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -0.144 8.130 -1.009 1.00 0.00 H new ATOM 1408 N VAL A 100 -2.149 10.411 3.148 1.00 0.00 N ATOM 1409 CA VAL A 100 -3.482 10.183 3.693 1.00 0.00 C ATOM 1410 C VAL A 100 -4.032 8.831 3.251 1.00 0.00 C ATOM 1411 O VAL A 100 -3.812 8.399 2.120 1.00 0.00 O ATOM 1412 CB VAL A 100 -4.461 11.290 3.261 1.00 0.00 C ATOM 1413 CG1 VAL A 100 -5.899 10.853 3.498 1.00 0.00 C ATOM 1414 CG2 VAL A 100 -4.160 12.585 4.000 1.00 0.00 C ATOM 0 H VAL A 100 -2.082 11.210 2.518 1.00 0.00 H new ATOM 0 HA VAL A 100 -3.387 10.196 4.779 1.00 0.00 H new ATOM 0 HB VAL A 100 -4.332 11.469 2.194 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -6.577 11.648 3.187 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -6.106 9.953 2.919 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -6.046 10.645 4.558 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -4.861 13.357 3.682 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -4.260 12.423 5.073 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -3.143 12.905 3.775 1.00 0.00 H new ATOM 1424 N GLY A 101 -4.751 8.168 4.151 1.00 0.00 N ATOM 1425 CA GLY A 101 -5.323 6.872 3.835 1.00 0.00 C ATOM 1426 C GLY A 101 -4.446 5.724 4.295 1.00 0.00 C ATOM 1427 O GLY A 101 -4.947 4.670 4.686 1.00 0.00 O ATOM 0 H GLY A 101 -4.948 8.505 5.093 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -6.303 6.787 4.304 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -5.477 6.799 2.758 1.00 0.00 H new ATOM 1431 N SER A 102 -3.134 5.927 4.247 1.00 0.00 N ATOM 1432 CA SER A 102 -2.185 4.898 4.657 1.00 0.00 C ATOM 1433 C SER A 102 -1.962 4.935 6.166 1.00 0.00 C ATOM 1434 O SER A 102 -2.242 5.929 6.836 1.00 0.00 O ATOM 1435 CB SER A 102 -0.853 5.084 3.928 1.00 0.00 C ATOM 1436 OG SER A 102 -0.824 4.342 2.721 1.00 0.00 O ATOM 0 H SER A 102 -2.703 6.795 3.928 1.00 0.00 H new ATOM 0 HA SER A 102 -2.603 3.927 4.393 1.00 0.00 H new ATOM 0 HB2 SER A 102 -0.697 6.141 3.712 1.00 0.00 H new ATOM 0 HB3 SER A 102 -0.034 4.766 4.574 1.00 0.00 H new ATOM 0 HG SER A 102 -1.587 4.598 2.161 1.00 0.00 H new ATOM 1442 N PRO A 103 -1.447 3.824 6.714 1.00 0.00 N ATOM 1443 CA PRO A 103 -1.111 2.635 5.926 1.00 0.00 C ATOM 1444 C PRO A 103 -2.351 1.918 5.401 1.00 0.00 C ATOM 1445 O PRO A 103 -3.459 2.132 5.893 1.00 0.00 O ATOM 1446 CB PRO A 103 -0.363 1.748 6.923 1.00 0.00 C ATOM 1447 CG PRO A 103 -0.866 2.173 8.260 1.00 0.00 C ATOM 1448 CD PRO A 103 -1.153 3.644 8.145 1.00 0.00 C ATOM 0 HA PRO A 103 -0.530 2.885 5.038 1.00 0.00 H new ATOM 0 HB2 PRO A 103 -0.564 0.692 6.742 1.00 0.00 H new ATOM 0 HB3 PRO A 103 0.715 1.885 6.844 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -1.765 1.620 8.533 1.00 0.00 H new ATOM 0 HG3 PRO A 103 -0.125 1.979 9.036 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -1.997 3.939 8.769 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -0.300 4.245 8.459 1.00 0.00 H new ATOM 1456 N PHE A 104 -2.157 1.067 4.399 1.00 0.00 N ATOM 1457 CA PHE A 104 -3.259 0.318 3.807 1.00 0.00 C ATOM 1458 C PHE A 104 -3.249 -1.132 4.281 1.00 0.00 C ATOM 1459 O PHE A 104 -2.278 -1.859 4.071 1.00 0.00 O ATOM 1460 CB PHE A 104 -3.176 0.369 2.280 1.00 0.00 C ATOM 1461 CG PHE A 104 -2.982 1.755 1.736 1.00 0.00 C ATOM 1462 CD1 PHE A 104 -3.796 2.797 2.150 1.00 0.00 C ATOM 1463 CD2 PHE A 104 -1.985 2.016 0.810 1.00 0.00 C ATOM 1464 CE1 PHE A 104 -3.619 4.073 1.650 1.00 0.00 C ATOM 1465 CE2 PHE A 104 -1.803 3.291 0.307 1.00 0.00 C ATOM 1466 CZ PHE A 104 -2.621 4.321 0.728 1.00 0.00 C ATOM 0 H PHE A 104 -1.246 0.879 3.980 1.00 0.00 H new ATOM 0 HA PHE A 104 -4.193 0.779 4.129 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -2.351 -0.262 1.948 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -4.089 -0.053 1.860 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -4.578 2.610 2.872 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -1.343 1.214 0.477 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -4.261 4.876 1.980 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -1.022 3.481 -0.414 1.00 0.00 H new ATOM 0 HZ PHE A 104 -2.481 5.318 0.337 1.00 0.00 H new ATOM 1476 N LYS A 105 -4.336 -1.546 4.922 1.00 0.00 N ATOM 1477 CA LYS A 105 -4.455 -2.909 5.426 1.00 0.00 C ATOM 1478 C LYS A 105 -5.423 -3.723 4.573 1.00 0.00 C ATOM 1479 O LYS A 105 -6.638 -3.644 4.751 1.00 0.00 O ATOM 1480 CB LYS A 105 -4.928 -2.898 6.882 1.00 0.00 C ATOM 1481 CG LYS A 105 -5.084 -4.284 7.482 1.00 0.00 C ATOM 1482 CD LYS A 105 -3.791 -4.765 8.120 1.00 0.00 C ATOM 1483 CE LYS A 105 -2.856 -5.377 7.089 1.00 0.00 C ATOM 1484 NZ LYS A 105 -1.803 -6.217 7.725 1.00 0.00 N ATOM 0 H LYS A 105 -5.148 -0.957 5.105 1.00 0.00 H new ATOM 0 HA LYS A 105 -3.471 -3.375 5.373 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -4.217 -2.330 7.482 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -5.883 -2.376 6.941 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -5.877 -4.270 8.230 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -5.390 -4.985 6.706 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -3.294 -3.929 8.613 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -4.016 -5.502 8.891 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -3.432 -5.984 6.391 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -2.386 -4.583 6.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -1.504 -6.960 7.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -0.986 -5.623 7.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -2.183 -6.655 8.588 1.00 0.00 H new ATOM 1498 N ALA A 106 -4.876 -4.504 3.647 1.00 0.00 N ATOM 1499 CA ALA A 106 -5.692 -5.334 2.770 1.00 0.00 C ATOM 1500 C ALA A 106 -5.675 -6.791 3.220 1.00 0.00 C ATOM 1501 O ALA A 106 -4.641 -7.308 3.645 1.00 0.00 O ATOM 1502 CB ALA A 106 -5.206 -5.218 1.332 1.00 0.00 C ATOM 0 H ALA A 106 -3.872 -4.579 3.485 1.00 0.00 H new ATOM 0 HA ALA A 106 -6.720 -4.976 2.825 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -5.824 -5.843 0.687 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -5.276 -4.180 1.007 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -4.169 -5.548 1.271 1.00 0.00 H new ATOM 1508 N LYS A 107 -6.825 -7.449 3.124 1.00 0.00 N ATOM 1509 CA LYS A 107 -6.943 -8.847 3.521 1.00 0.00 C ATOM 1510 C LYS A 107 -6.953 -9.760 2.299 1.00 0.00 C ATOM 1511 O LYS A 107 -7.780 -9.603 1.401 1.00 0.00 O ATOM 1512 CB LYS A 107 -8.218 -9.060 4.340 1.00 0.00 C ATOM 1513 CG LYS A 107 -8.265 -10.399 5.055 1.00 0.00 C ATOM 1514 CD LYS A 107 -7.644 -10.314 6.440 1.00 0.00 C ATOM 1515 CE LYS A 107 -6.143 -10.556 6.394 1.00 0.00 C ATOM 1516 NZ LYS A 107 -5.640 -11.161 7.658 1.00 0.00 N ATOM 0 H LYS A 107 -7.690 -7.036 2.774 1.00 0.00 H new ATOM 0 HA LYS A 107 -6.078 -9.099 4.134 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -8.304 -8.261 5.076 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -9.082 -8.980 3.680 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -9.300 -10.732 5.139 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -7.737 -11.147 4.464 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -7.842 -9.332 6.869 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -8.112 -11.048 7.095 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -5.907 -11.214 5.557 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -5.628 -9.612 6.213 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -4.672 -11.512 7.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -5.640 -10.443 8.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -6.257 -11.952 7.934 1.00 0.00 H new ATOM 1530 N VAL A 108 -6.030 -10.716 2.273 1.00 0.00 N ATOM 1531 CA VAL A 108 -5.934 -11.656 1.163 1.00 0.00 C ATOM 1532 C VAL A 108 -6.552 -13.002 1.527 1.00 0.00 C ATOM 1533 O VAL A 108 -6.264 -13.564 2.585 1.00 0.00 O ATOM 1534 CB VAL A 108 -4.471 -11.874 0.736 1.00 0.00 C ATOM 1535 CG1 VAL A 108 -4.405 -12.629 -0.583 1.00 0.00 C ATOM 1536 CG2 VAL A 108 -3.742 -10.543 0.634 1.00 0.00 C ATOM 0 H VAL A 108 -5.338 -10.860 3.008 1.00 0.00 H new ATOM 0 HA VAL A 108 -6.486 -11.219 0.331 1.00 0.00 H new ATOM 0 HB VAL A 108 -3.976 -12.477 1.497 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -3.363 -12.773 -0.868 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -4.888 -13.600 -0.471 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -4.917 -12.056 -1.356 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -2.709 -10.716 0.331 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -4.236 -9.913 -0.106 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -3.757 -10.045 1.603 1.00 0.00 H new ATOM 1546 N THR A 109 -7.403 -13.515 0.644 1.00 0.00 N ATOM 1547 CA THR A 109 -8.062 -14.795 0.873 1.00 0.00 C ATOM 1548 C THR A 109 -7.730 -15.790 -0.233 1.00 0.00 C ATOM 1549 O THR A 109 -6.929 -15.501 -1.121 1.00 0.00 O ATOM 1550 CB THR A 109 -9.591 -14.632 0.958 1.00 0.00 C ATOM 1551 OG1 THR A 109 -10.087 -14.023 -0.239 1.00 0.00 O ATOM 1552 CG2 THR A 109 -9.979 -13.785 2.162 1.00 0.00 C ATOM 0 H THR A 109 -7.652 -13.064 -0.236 1.00 0.00 H new ATOM 0 HA THR A 109 -7.691 -15.176 1.824 1.00 0.00 H new ATOM 0 HB THR A 109 -10.033 -15.622 1.071 1.00 0.00 H new ATOM 0 HG1 THR A 109 -11.060 -13.925 -0.177 1.00 0.00 H new ATOM 0 HG21 THR A 109 -11.064 -13.684 2.201 1.00 0.00 H new ATOM 0 HG22 THR A 109 -9.626 -14.266 3.074 1.00 0.00 H new ATOM 0 HG23 THR A 109 -9.525 -12.798 2.074 1.00 0.00 H new ATOM 1560 N GLY A 110 -8.351 -16.964 -0.173 1.00 0.00 N ATOM 1561 CA GLY A 110 -8.108 -17.984 -1.177 1.00 0.00 C ATOM 1562 C GLY A 110 -6.819 -18.742 -0.932 1.00 0.00 C ATOM 1563 O GLY A 110 -5.732 -18.240 -1.218 1.00 0.00 O ATOM 0 H GLY A 110 -9.018 -17.227 0.553 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -8.942 -18.686 -1.187 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -8.071 -17.519 -2.162 1.00 0.00 H new ATOM 1567 N GLN A 111 -6.939 -19.954 -0.400 1.00 0.00 N ATOM 1568 CA GLN A 111 -5.773 -20.782 -0.114 1.00 0.00 C ATOM 1569 C GLN A 111 -4.720 -20.635 -1.208 1.00 0.00 C ATOM 1570 O GLN A 111 -5.047 -20.378 -2.366 1.00 0.00 O ATOM 1571 CB GLN A 111 -6.184 -22.249 0.021 1.00 0.00 C ATOM 1572 CG GLN A 111 -7.219 -22.494 1.107 1.00 0.00 C ATOM 1573 CD GLN A 111 -6.721 -22.106 2.486 1.00 0.00 C ATOM 1574 OE1 GLN A 111 -5.516 -22.011 2.719 1.00 0.00 O ATOM 1575 NE2 GLN A 111 -7.648 -21.880 3.408 1.00 0.00 N ATOM 0 H GLN A 111 -7.832 -20.384 -0.158 1.00 0.00 H new ATOM 0 HA GLN A 111 -5.341 -20.445 0.828 1.00 0.00 H new ATOM 0 HB2 GLN A 111 -6.582 -22.595 -0.933 1.00 0.00 H new ATOM 0 HB3 GLN A 111 -5.298 -22.848 0.233 1.00 0.00 H new ATOM 0 HG2 GLN A 111 -8.121 -21.927 0.878 1.00 0.00 H new ATOM 0 HG3 GLN A 111 -7.496 -23.548 1.108 1.00 0.00 H new ATOM 0 HE21 GLN A 111 -8.636 -21.970 3.171 1.00 0.00 H new ATOM 0 HE22 GLN A 111 -7.373 -21.616 4.354 1.00 0.00 H new ATOM 1584 N ARG A 112 -3.456 -20.800 -0.831 1.00 0.00 N ATOM 1585 CA ARG A 112 -2.355 -20.684 -1.780 1.00 0.00 C ATOM 1586 C ARG A 112 -2.677 -21.416 -3.079 1.00 0.00 C ATOM 1587 O ARG A 112 -3.582 -22.251 -3.126 1.00 0.00 O ATOM 1588 CB ARG A 112 -1.069 -21.244 -1.171 1.00 0.00 C ATOM 1589 CG ARG A 112 -1.183 -22.696 -0.736 1.00 0.00 C ATOM 1590 CD ARG A 112 0.180 -23.288 -0.409 1.00 0.00 C ATOM 1591 NE ARG A 112 0.068 -24.548 0.320 1.00 0.00 N ATOM 1592 CZ ARG A 112 1.075 -25.104 0.985 1.00 0.00 C ATOM 1593 NH1 ARG A 112 2.262 -24.515 1.012 1.00 0.00 N ATOM 1594 NH2 ARG A 112 0.895 -26.253 1.624 1.00 0.00 N ATOM 0 H ARG A 112 -3.169 -21.014 0.124 1.00 0.00 H new ATOM 0 HA ARG A 112 -2.212 -19.627 -2.005 1.00 0.00 H new ATOM 0 HB2 ARG A 112 -0.263 -21.154 -1.899 1.00 0.00 H new ATOM 0 HB3 ARG A 112 -0.790 -20.636 -0.310 1.00 0.00 H new ATOM 0 HG2 ARG A 112 -1.830 -22.765 0.138 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -1.653 -23.279 -1.528 1.00 0.00 H new ATOM 0 HD2 ARG A 112 0.735 -23.452 -1.333 1.00 0.00 H new ATOM 0 HD3 ARG A 112 0.752 -22.575 0.185 1.00 0.00 H new ATOM 0 HE ARG A 112 -0.832 -25.028 0.319 1.00 0.00 H new ATOM 0 HH11 ARG A 112 2.405 -23.632 0.521 1.00 0.00 H new ATOM 0 HH12 ARG A 112 3.033 -24.944 1.523 1.00 0.00 H new ATOM 0 HH21 ARG A 112 -0.017 -26.710 1.605 1.00 0.00 H new ATOM 0 HH22 ARG A 112 1.668 -26.679 2.134 1.00 0.00 H new ATOM 1608 N LEU A 113 -1.932 -21.099 -4.131 1.00 0.00 N ATOM 1609 CA LEU A 113 -2.137 -21.727 -5.432 1.00 0.00 C ATOM 1610 C LEU A 113 -1.545 -23.132 -5.458 1.00 0.00 C ATOM 1611 O LEU A 113 -0.800 -23.520 -4.559 1.00 0.00 O ATOM 1612 CB LEU A 113 -1.509 -20.875 -6.536 1.00 0.00 C ATOM 1613 CG LEU A 113 -1.978 -19.422 -6.613 1.00 0.00 C ATOM 1614 CD1 LEU A 113 -1.114 -18.535 -5.729 1.00 0.00 C ATOM 1615 CD2 LEU A 113 -1.955 -18.929 -8.052 1.00 0.00 C ATOM 0 H LEU A 113 -1.180 -20.410 -4.109 1.00 0.00 H new ATOM 0 HA LEU A 113 -3.210 -21.802 -5.607 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -0.428 -20.880 -6.400 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -1.712 -21.352 -7.495 1.00 0.00 H new ATOM 0 HG LEU A 113 -3.005 -19.372 -6.250 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -1.462 -17.504 -5.796 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -1.182 -18.874 -4.695 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -0.077 -18.590 -6.061 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -2.292 -17.893 -8.087 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -0.939 -18.994 -8.443 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -2.617 -19.547 -8.659 1.00 0.00 H new