USER MOD reduce.3.24.130724 H: found=0, std=0, add=729, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 731 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 29 GLN : amide:sc= -0.63 K(o=-0.63,f=-3.5!) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=-0.036) USER MOD Single : A 34 SER OG : rot 19:sc= 0.516 USER MOD Single : A 37 LYS NZ :NH3+ -177:sc= 1.21 (180deg=1.14) USER MOD Single : A 41 GLN : amide:sc= -0.306 X(o=-0.31,f=0) USER MOD Single : A 45 ASN : amide:sc= -1.12 K(o=-1.1,f=-2.9!) USER MOD Single : A 48 LYS NZ :NH3+ -162:sc= 1.19 (180deg=1.16) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= 1.02 K(o=1,f=0) USER MOD Single : A 56 CYS SG : rot 180:sc= 0 USER MOD Single : A 58 HIS : no HD1:sc= -0.405 K(o=-0.4,f=-0.94) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 86:sc= 1.29 USER MOD Single : A 63 GLN : amide:sc= -0.75 K(o=-0.75,f=-4.3!) USER MOD Single : A 65 HIS : no HE2:sc= 0.0369 X(o=0.037,f=-0.23) USER MOD Single : A 67 ASN : amide:sc= 0.0932 K(o=0.093,f=-0.8) USER MOD Single : A 68 ASN :FLIP amide:sc= -1.16! C(o=-1.7!,f=-1.2!) USER MOD Single : A 72 GLN : amide:sc= 0.467 K(o=0.47,f=-1.1!) USER MOD Single : A 73 GLN : amide:sc= -0.198 X(o=-0.2,f=-0.2) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 SER OG : rot 84:sc= 1.33 USER MOD Single : A 81 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 SER OG : rot 180:sc= 0.107 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 THR OG1 : rot 180:sc= 0.249 USER MOD Single : A 107 GLN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 243 N LEU A 16 -0.783 11.666 -4.245 1.00 0.00 N ATOM 244 CA LEU A 16 0.106 11.049 -3.277 1.00 0.00 C ATOM 245 C LEU A 16 0.270 9.553 -3.564 1.00 0.00 C ATOM 246 O LEU A 16 1.352 8.999 -3.377 1.00 0.00 O ATOM 247 CB LEU A 16 -0.522 11.327 -1.906 1.00 0.00 C ATOM 248 CG LEU A 16 0.216 10.751 -0.694 1.00 0.00 C ATOM 249 CD1 LEU A 16 1.632 11.298 -0.532 1.00 0.00 C ATOM 250 CD2 LEU A 16 -0.624 11.111 0.537 1.00 0.00 C ATOM 0 HA LEU A 16 1.116 11.458 -3.321 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -0.600 12.407 -1.778 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -1.538 10.932 -1.908 1.00 0.00 H new ATOM 0 HG LEU A 16 0.330 9.675 -0.825 1.00 0.00 H new ATOM 0 HD11 LEU A 16 2.097 10.849 0.345 1.00 0.00 H new ATOM 0 HD12 LEU A 16 2.219 11.056 -1.418 1.00 0.00 H new ATOM 0 HD13 LEU A 16 1.592 12.380 -0.407 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -0.141 10.722 1.433 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -0.712 12.195 0.613 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -1.617 10.672 0.441 1.00 0.00 H new ATOM 262 N ALA A 17 -0.787 8.887 -4.046 1.00 0.00 N ATOM 263 CA ALA A 17 -0.706 7.500 -4.471 1.00 0.00 C ATOM 264 C ALA A 17 0.269 7.330 -5.628 1.00 0.00 C ATOM 265 O ALA A 17 0.981 6.338 -5.631 1.00 0.00 O ATOM 266 CB ALA A 17 -2.064 6.956 -4.908 1.00 0.00 C ATOM 0 H ALA A 17 -1.714 9.300 -4.149 1.00 0.00 H new ATOM 0 HA ALA A 17 -0.355 6.940 -3.604 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -1.957 5.916 -5.218 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -2.765 7.016 -4.076 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -2.441 7.546 -5.743 1.00 0.00 H new ATOM 272 N ALA A 18 0.289 8.244 -6.602 1.00 0.00 N ATOM 273 CA ALA A 18 1.143 8.134 -7.779 1.00 0.00 C ATOM 274 C ALA A 18 2.613 8.117 -7.366 1.00 0.00 C ATOM 275 O ALA A 18 3.381 7.281 -7.834 1.00 0.00 O ATOM 276 CB ALA A 18 0.855 9.287 -8.744 1.00 0.00 C ATOM 0 H ALA A 18 -0.291 9.083 -6.593 1.00 0.00 H new ATOM 0 HA ALA A 18 0.926 7.197 -8.292 1.00 0.00 H new ATOM 0 HB1 ALA A 18 1.497 9.197 -9.620 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -0.189 9.250 -9.054 1.00 0.00 H new ATOM 0 HB3 ALA A 18 1.052 10.236 -8.246 1.00 0.00 H new ATOM 282 N GLU A 19 2.984 8.999 -6.437 1.00 0.00 N ATOM 283 CA GLU A 19 4.331 9.082 -5.888 1.00 0.00 C ATOM 284 C GLU A 19 4.698 7.746 -5.228 1.00 0.00 C ATOM 285 O GLU A 19 5.764 7.179 -5.475 1.00 0.00 O ATOM 286 CB GLU A 19 4.381 10.230 -4.867 1.00 0.00 C ATOM 287 CG GLU A 19 4.104 11.603 -5.486 1.00 0.00 C ATOM 288 CD GLU A 19 4.015 12.741 -4.468 1.00 0.00 C ATOM 289 OE1 GLU A 19 3.874 12.523 -3.244 1.00 0.00 O ATOM 290 OE2 GLU A 19 4.029 13.917 -4.904 1.00 0.00 O ATOM 0 H GLU A 19 2.343 9.686 -6.040 1.00 0.00 H new ATOM 0 HA GLU A 19 5.052 9.282 -6.681 1.00 0.00 H new ATOM 0 HB2 GLU A 19 3.651 10.040 -4.080 1.00 0.00 H new ATOM 0 HB3 GLU A 19 5.363 10.244 -4.394 1.00 0.00 H new ATOM 0 HG2 GLU A 19 4.893 11.832 -6.203 1.00 0.00 H new ATOM 0 HG3 GLU A 19 3.169 11.556 -6.045 1.00 0.00 H new ATOM 297 N ALA A 20 3.786 7.223 -4.406 1.00 0.00 N ATOM 298 CA ALA A 20 3.946 5.962 -3.707 1.00 0.00 C ATOM 299 C ALA A 20 3.960 4.762 -4.661 1.00 0.00 C ATOM 300 O ALA A 20 4.578 3.749 -4.340 1.00 0.00 O ATOM 301 CB ALA A 20 2.822 5.847 -2.669 1.00 0.00 C ATOM 0 H ALA A 20 2.897 7.682 -4.208 1.00 0.00 H new ATOM 0 HA ALA A 20 4.916 5.949 -3.210 1.00 0.00 H new ATOM 0 HB1 ALA A 20 2.920 4.905 -2.129 1.00 0.00 H new ATOM 0 HB2 ALA A 20 2.890 6.677 -1.966 1.00 0.00 H new ATOM 0 HB3 ALA A 20 1.856 5.877 -3.174 1.00 0.00 H new ATOM 307 N ILE A 21 3.286 4.843 -5.806 1.00 0.00 N ATOM 308 CA ILE A 21 3.240 3.836 -6.861 1.00 0.00 C ATOM 309 C ILE A 21 4.528 3.862 -7.677 1.00 0.00 C ATOM 310 O ILE A 21 4.975 2.809 -8.135 1.00 0.00 O ATOM 311 CB ILE A 21 1.967 4.081 -7.715 1.00 0.00 C ATOM 312 CG1 ILE A 21 0.787 3.420 -6.975 1.00 0.00 C ATOM 313 CG2 ILE A 21 2.090 3.582 -9.164 1.00 0.00 C ATOM 314 CD1 ILE A 21 -0.601 3.728 -7.541 1.00 0.00 C ATOM 0 H ILE A 21 2.724 5.663 -6.035 1.00 0.00 H new ATOM 0 HA ILE A 21 3.175 2.832 -6.441 1.00 0.00 H new ATOM 0 HB ILE A 21 1.808 5.154 -7.818 1.00 0.00 H new ATOM 0 HG12 ILE A 21 0.933 2.340 -6.986 1.00 0.00 H new ATOM 0 HG13 ILE A 21 0.813 3.735 -5.932 1.00 0.00 H new ATOM 0 HG21 ILE A 21 1.163 3.787 -9.699 1.00 0.00 H new ATOM 0 HG22 ILE A 21 2.915 4.096 -9.657 1.00 0.00 H new ATOM 0 HG23 ILE A 21 2.279 2.509 -9.164 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -1.358 3.215 -6.948 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -0.779 4.803 -7.504 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -0.656 3.386 -8.575 1.00 0.00 H new ATOM 326 N GLU A 22 5.145 5.027 -7.866 1.00 0.00 N ATOM 327 CA GLU A 22 6.437 5.115 -8.526 1.00 0.00 C ATOM 328 C GLU A 22 7.465 4.404 -7.635 1.00 0.00 C ATOM 329 O GLU A 22 8.319 3.671 -8.142 1.00 0.00 O ATOM 330 CB GLU A 22 6.781 6.589 -8.791 1.00 0.00 C ATOM 331 CG GLU A 22 8.117 6.795 -9.520 1.00 0.00 C ATOM 332 CD GLU A 22 8.169 6.196 -10.933 1.00 0.00 C ATOM 333 OE1 GLU A 22 7.138 6.197 -11.652 1.00 0.00 O ATOM 334 OE2 GLU A 22 9.279 5.792 -11.357 1.00 0.00 O ATOM 0 H GLU A 22 4.765 5.925 -7.568 1.00 0.00 H new ATOM 0 HA GLU A 22 6.432 4.624 -9.499 1.00 0.00 H new ATOM 0 HB2 GLU A 22 5.983 7.038 -9.382 1.00 0.00 H new ATOM 0 HB3 GLU A 22 6.811 7.121 -7.840 1.00 0.00 H new ATOM 0 HG2 GLU A 22 8.321 7.864 -9.584 1.00 0.00 H new ATOM 0 HG3 GLU A 22 8.915 6.354 -8.922 1.00 0.00 H new ATOM 341 N ARG A 23 7.361 4.538 -6.304 1.00 0.00 N ATOM 342 CA ARG A 23 8.278 3.864 -5.388 1.00 0.00 C ATOM 343 C ARG A 23 7.976 2.375 -5.223 1.00 0.00 C ATOM 344 O ARG A 23 8.902 1.569 -5.282 1.00 0.00 O ATOM 345 CB ARG A 23 8.301 4.553 -4.009 1.00 0.00 C ATOM 346 CG ARG A 23 9.469 3.975 -3.192 1.00 0.00 C ATOM 347 CD ARG A 23 9.985 4.935 -2.115 1.00 0.00 C ATOM 348 NE ARG A 23 11.408 4.668 -1.843 1.00 0.00 N ATOM 349 CZ ARG A 23 12.411 5.066 -2.636 1.00 0.00 C ATOM 350 NH1 ARG A 23 12.205 5.955 -3.603 1.00 0.00 N ATOM 351 NH2 ARG A 23 13.624 4.563 -2.467 1.00 0.00 N ATOM 0 H ARG A 23 6.650 5.107 -5.844 1.00 0.00 H new ATOM 0 HA ARG A 23 9.264 3.944 -5.845 1.00 0.00 H new ATOM 0 HB2 ARG A 23 8.418 5.630 -4.126 1.00 0.00 H new ATOM 0 HB3 ARG A 23 7.357 4.389 -3.488 1.00 0.00 H new ATOM 0 HG2 ARG A 23 9.149 3.047 -2.719 1.00 0.00 H new ATOM 0 HG3 ARG A 23 10.287 3.723 -3.867 1.00 0.00 H new ATOM 0 HD2 ARG A 23 9.856 5.966 -2.443 1.00 0.00 H new ATOM 0 HD3 ARG A 23 9.403 4.816 -1.201 1.00 0.00 H new ATOM 0 HE ARG A 23 11.644 4.148 -0.998 1.00 0.00 H new ATOM 0 HH11 ARG A 23 11.273 6.343 -3.749 1.00 0.00 H new ATOM 0 HH12 ARG A 23 12.979 6.249 -4.199 1.00 0.00 H new ATOM 0 HH21 ARG A 23 13.793 3.874 -1.734 1.00 0.00 H new ATOM 0 HH22 ARG A 23 14.390 4.864 -3.070 1.00 0.00 H new ATOM 365 N ASP A 24 6.718 2.013 -4.976 1.00 0.00 N ATOM 366 CA ASP A 24 6.343 0.636 -4.658 1.00 0.00 C ATOM 367 C ASP A 24 5.893 -0.183 -5.867 1.00 0.00 C ATOM 368 O ASP A 24 4.839 0.116 -6.443 1.00 0.00 O ATOM 369 CB ASP A 24 5.241 0.596 -3.599 1.00 0.00 C ATOM 370 CG ASP A 24 5.148 -0.794 -2.984 1.00 0.00 C ATOM 371 OD1 ASP A 24 6.149 -1.254 -2.398 1.00 0.00 O ATOM 372 OD2 ASP A 24 4.067 -1.411 -3.072 1.00 0.00 O ATOM 0 H ASP A 24 5.932 2.663 -4.991 1.00 0.00 H new ATOM 0 HA ASP A 24 7.257 0.179 -4.278 1.00 0.00 H new ATOM 0 HB2 ASP A 24 5.448 1.332 -2.822 1.00 0.00 H new ATOM 0 HB3 ASP A 24 4.286 0.867 -4.048 1.00 0.00 H new ATOM 377 N PRO A 25 6.619 -1.252 -6.242 1.00 0.00 N ATOM 378 CA PRO A 25 6.248 -2.063 -7.387 1.00 0.00 C ATOM 379 C PRO A 25 4.927 -2.804 -7.161 1.00 0.00 C ATOM 380 O PRO A 25 4.191 -3.016 -8.126 1.00 0.00 O ATOM 381 CB PRO A 25 7.426 -3.014 -7.615 1.00 0.00 C ATOM 382 CG PRO A 25 8.091 -3.125 -6.246 1.00 0.00 C ATOM 383 CD PRO A 25 7.856 -1.742 -5.647 1.00 0.00 C ATOM 0 HA PRO A 25 6.066 -1.451 -8.270 1.00 0.00 H new ATOM 0 HB2 PRO A 25 7.089 -3.987 -7.973 1.00 0.00 H new ATOM 0 HB3 PRO A 25 8.116 -2.621 -8.362 1.00 0.00 H new ATOM 0 HG2 PRO A 25 7.641 -3.911 -5.640 1.00 0.00 H new ATOM 0 HG3 PRO A 25 9.153 -3.355 -6.329 1.00 0.00 H new ATOM 0 HD2 PRO A 25 7.772 -1.796 -4.562 1.00 0.00 H new ATOM 0 HD3 PRO A 25 8.688 -1.074 -5.870 1.00 0.00 H new ATOM 391 N TRP A 26 4.589 -3.173 -5.921 1.00 0.00 N ATOM 392 CA TRP A 26 3.325 -3.833 -5.636 1.00 0.00 C ATOM 393 C TRP A 26 2.168 -2.839 -5.709 1.00 0.00 C ATOM 394 O TRP A 26 1.127 -3.188 -6.265 1.00 0.00 O ATOM 395 CB TRP A 26 3.386 -4.551 -4.289 1.00 0.00 C ATOM 396 CG TRP A 26 2.088 -5.120 -3.794 1.00 0.00 C ATOM 397 CD1 TRP A 26 1.520 -4.804 -2.612 1.00 0.00 C ATOM 398 CD2 TRP A 26 1.220 -6.134 -4.393 1.00 0.00 C ATOM 399 NE1 TRP A 26 0.364 -5.534 -2.438 1.00 0.00 N ATOM 400 CE2 TRP A 26 0.153 -6.406 -3.486 1.00 0.00 C ATOM 401 CE3 TRP A 26 1.266 -6.911 -5.572 1.00 0.00 C ATOM 402 CZ2 TRP A 26 -0.794 -7.417 -3.723 1.00 0.00 C ATOM 403 CZ3 TRP A 26 0.369 -7.973 -5.786 1.00 0.00 C ATOM 404 CH2 TRP A 26 -0.668 -8.220 -4.869 1.00 0.00 C ATOM 0 H TRP A 26 5.179 -3.023 -5.102 1.00 0.00 H new ATOM 0 HA TRP A 26 3.144 -4.591 -6.398 1.00 0.00 H new ATOM 0 HB2 TRP A 26 4.112 -5.361 -4.363 1.00 0.00 H new ATOM 0 HB3 TRP A 26 3.763 -3.852 -3.542 1.00 0.00 H new ATOM 0 HD1 TRP A 26 1.913 -4.086 -1.907 1.00 0.00 H new ATOM 0 HE1 TRP A 26 -0.258 -5.441 -1.635 1.00 0.00 H new ATOM 0 HE3 TRP A 26 2.006 -6.685 -6.325 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 -1.609 -7.575 -3.032 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 0.477 -8.601 -6.658 1.00 0.00 H new ATOM 0 HH2 TRP A 26 -1.366 -9.025 -5.045 1.00 0.00 H new ATOM 415 N ALA A 27 2.313 -1.597 -5.232 1.00 0.00 N ATOM 416 CA ALA A 27 1.247 -0.614 -5.384 1.00 0.00 C ATOM 417 C ALA A 27 0.946 -0.371 -6.860 1.00 0.00 C ATOM 418 O ALA A 27 -0.229 -0.255 -7.226 1.00 0.00 O ATOM 419 CB ALA A 27 1.624 0.705 -4.727 1.00 0.00 C ATOM 0 H ALA A 27 3.144 -1.258 -4.747 1.00 0.00 H new ATOM 0 HA ALA A 27 0.359 -1.014 -4.894 1.00 0.00 H new ATOM 0 HB1 ALA A 27 0.812 1.420 -4.855 1.00 0.00 H new ATOM 0 HB2 ALA A 27 1.802 0.544 -3.664 1.00 0.00 H new ATOM 0 HB3 ALA A 27 2.529 1.097 -5.191 1.00 0.00 H new ATOM 425 N ALA A 28 1.993 -0.312 -7.691 1.00 0.00 N ATOM 426 CA ALA A 28 1.860 -0.189 -9.130 1.00 0.00 C ATOM 427 C ALA A 28 1.040 -1.364 -9.654 1.00 0.00 C ATOM 428 O ALA A 28 0.017 -1.166 -10.308 1.00 0.00 O ATOM 429 CB ALA A 28 3.248 -0.136 -9.780 1.00 0.00 C ATOM 0 H ALA A 28 2.961 -0.349 -7.371 1.00 0.00 H new ATOM 0 HA ALA A 28 1.342 0.736 -9.384 1.00 0.00 H new ATOM 0 HB1 ALA A 28 3.140 -0.044 -10.861 1.00 0.00 H new ATOM 0 HB2 ALA A 28 3.797 0.723 -9.395 1.00 0.00 H new ATOM 0 HB3 ALA A 28 3.794 -1.050 -9.547 1.00 0.00 H new ATOM 435 N GLN A 29 1.443 -2.583 -9.289 1.00 0.00 N ATOM 436 CA GLN A 29 0.776 -3.807 -9.711 1.00 0.00 C ATOM 437 C GLN A 29 -0.693 -3.787 -9.300 1.00 0.00 C ATOM 438 O GLN A 29 -1.555 -4.099 -10.112 1.00 0.00 O ATOM 439 CB GLN A 29 1.498 -5.035 -9.140 1.00 0.00 C ATOM 440 CG GLN A 29 2.768 -5.348 -9.942 1.00 0.00 C ATOM 441 CD GLN A 29 3.645 -6.412 -9.279 1.00 0.00 C ATOM 442 OE1 GLN A 29 3.841 -6.413 -8.067 1.00 0.00 O ATOM 443 NE2 GLN A 29 4.196 -7.351 -10.033 1.00 0.00 N ATOM 0 H GLN A 29 2.250 -2.745 -8.686 1.00 0.00 H new ATOM 0 HA GLN A 29 0.816 -3.869 -10.798 1.00 0.00 H new ATOM 0 HB2 GLN A 29 1.757 -4.856 -8.096 1.00 0.00 H new ATOM 0 HB3 GLN A 29 0.830 -5.896 -9.159 1.00 0.00 H new ATOM 0 HG2 GLN A 29 2.487 -5.686 -10.940 1.00 0.00 H new ATOM 0 HG3 GLN A 29 3.347 -4.433 -10.067 1.00 0.00 H new ATOM 0 HE21 GLN A 29 4.036 -7.355 -11.040 1.00 0.00 H new ATOM 0 HE22 GLN A 29 4.780 -8.070 -9.606 1.00 0.00 H new ATOM 452 N VAL A 30 -1.023 -3.401 -8.072 1.00 0.00 N ATOM 453 CA VAL A 30 -2.409 -3.437 -7.615 1.00 0.00 C ATOM 454 C VAL A 30 -3.270 -2.454 -8.415 1.00 0.00 C ATOM 455 O VAL A 30 -4.418 -2.777 -8.733 1.00 0.00 O ATOM 456 CB VAL A 30 -2.455 -3.205 -6.085 1.00 0.00 C ATOM 457 CG1 VAL A 30 -3.871 -2.986 -5.534 1.00 0.00 C ATOM 458 CG2 VAL A 30 -1.851 -4.384 -5.313 1.00 0.00 C ATOM 0 H VAL A 30 -0.356 -3.062 -7.379 1.00 0.00 H new ATOM 0 HA VAL A 30 -2.840 -4.421 -7.800 1.00 0.00 H new ATOM 0 HB VAL A 30 -1.871 -2.296 -5.938 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -3.822 -2.830 -4.456 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -4.314 -2.110 -6.007 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -4.484 -3.862 -5.747 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -1.902 -4.183 -4.243 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -2.411 -5.292 -5.539 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -0.810 -4.517 -5.608 1.00 0.00 H new ATOM 468 N SER A 31 -2.729 -1.290 -8.789 1.00 0.00 N ATOM 469 CA SER A 31 -3.440 -0.366 -9.661 1.00 0.00 C ATOM 470 C SER A 31 -3.563 -0.965 -11.065 1.00 0.00 C ATOM 471 O SER A 31 -4.593 -0.808 -11.723 1.00 0.00 O ATOM 472 CB SER A 31 -2.706 0.981 -9.696 1.00 0.00 C ATOM 473 OG SER A 31 -3.480 1.937 -10.394 1.00 0.00 O ATOM 0 H SER A 31 -1.804 -0.971 -8.500 1.00 0.00 H new ATOM 0 HA SER A 31 -4.445 -0.198 -9.275 1.00 0.00 H new ATOM 0 HB2 SER A 31 -2.516 1.327 -8.680 1.00 0.00 H new ATOM 0 HB3 SER A 31 -1.736 0.863 -10.180 1.00 0.00 H new ATOM 0 HG SER A 31 -3.005 2.794 -10.410 1.00 0.00 H new ATOM 479 N GLN A 32 -2.544 -1.692 -11.518 1.00 0.00 N ATOM 480 CA GLN A 32 -2.481 -2.267 -12.850 1.00 0.00 C ATOM 481 C GLN A 32 -3.565 -3.340 -12.978 1.00 0.00 C ATOM 482 O GLN A 32 -4.232 -3.424 -14.010 1.00 0.00 O ATOM 483 CB GLN A 32 -1.056 -2.792 -13.052 1.00 0.00 C ATOM 484 CG GLN A 32 -0.740 -3.424 -14.404 1.00 0.00 C ATOM 485 CD GLN A 32 0.725 -3.858 -14.408 1.00 0.00 C ATOM 486 OE1 GLN A 32 1.627 -3.050 -14.190 1.00 0.00 O ATOM 487 NE2 GLN A 32 0.996 -5.135 -14.601 1.00 0.00 N ATOM 0 H GLN A 32 -1.722 -1.900 -10.951 1.00 0.00 H new ATOM 0 HA GLN A 32 -2.681 -1.540 -13.637 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -0.364 -1.965 -12.894 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -0.853 -3.530 -12.276 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -1.389 -4.281 -14.582 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -0.926 -2.711 -15.208 1.00 0.00 H new ATOM 0 HE21 GLN A 32 0.240 -5.795 -14.781 1.00 0.00 H new ATOM 0 HE22 GLN A 32 1.962 -5.462 -14.570 1.00 0.00 H new ATOM 496 N LEU A 33 -3.816 -4.095 -11.906 1.00 0.00 N ATOM 497 CA LEU A 33 -4.875 -5.101 -11.833 1.00 0.00 C ATOM 498 C LEU A 33 -6.229 -4.492 -11.469 1.00 0.00 C ATOM 499 O LEU A 33 -7.242 -5.194 -11.514 1.00 0.00 O ATOM 500 CB LEU A 33 -4.543 -6.141 -10.754 1.00 0.00 C ATOM 501 CG LEU A 33 -3.189 -6.858 -10.833 1.00 0.00 C ATOM 502 CD1 LEU A 33 -3.284 -8.170 -10.059 1.00 0.00 C ATOM 503 CD2 LEU A 33 -2.742 -7.129 -12.274 1.00 0.00 C ATOM 0 H LEU A 33 -3.275 -4.021 -11.045 1.00 0.00 H new ATOM 0 HA LEU A 33 -4.936 -5.555 -12.822 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -4.602 -5.646 -9.785 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -5.324 -6.901 -10.772 1.00 0.00 H new ATOM 0 HG LEU A 33 -2.437 -6.203 -10.394 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -2.328 -8.691 -10.107 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -3.532 -7.961 -9.018 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -4.060 -8.796 -10.498 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -1.778 -7.638 -12.266 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -3.480 -7.758 -12.772 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -2.649 -6.184 -12.810 1.00 0.00 H new ATOM 515 N SER A 34 -6.242 -3.214 -11.082 1.00 0.00 N ATOM 516 CA SER A 34 -7.379 -2.467 -10.571 1.00 0.00 C ATOM 517 C SER A 34 -8.225 -3.307 -9.610 1.00 0.00 C ATOM 518 O SER A 34 -9.403 -3.575 -9.874 1.00 0.00 O ATOM 519 CB SER A 34 -8.196 -1.906 -11.735 1.00 0.00 C ATOM 520 OG SER A 34 -7.508 -0.843 -12.367 1.00 0.00 O ATOM 0 H SER A 34 -5.399 -2.641 -11.123 1.00 0.00 H new ATOM 0 HA SER A 34 -7.011 -1.626 -9.984 1.00 0.00 H new ATOM 0 HB2 SER A 34 -8.396 -2.696 -12.458 1.00 0.00 H new ATOM 0 HB3 SER A 34 -9.162 -1.555 -11.371 1.00 0.00 H new ATOM 0 HG SER A 34 -6.557 -0.885 -12.135 1.00 0.00 H new ATOM 526 N LEU A 35 -7.636 -3.717 -8.480 1.00 0.00 N ATOM 527 CA LEU A 35 -8.387 -4.440 -7.451 1.00 0.00 C ATOM 528 C LEU A 35 -9.596 -3.604 -6.991 1.00 0.00 C ATOM 529 O LEU A 35 -9.498 -2.376 -7.000 1.00 0.00 O ATOM 530 CB LEU A 35 -7.498 -4.860 -6.269 1.00 0.00 C ATOM 531 CG LEU A 35 -6.871 -6.257 -6.429 1.00 0.00 C ATOM 532 CD1 LEU A 35 -5.998 -6.383 -7.668 1.00 0.00 C ATOM 533 CD2 LEU A 35 -5.999 -6.596 -5.221 1.00 0.00 C ATOM 0 H LEU A 35 -6.653 -3.562 -8.258 1.00 0.00 H new ATOM 0 HA LEU A 35 -8.758 -5.365 -7.893 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -6.701 -4.126 -6.147 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -8.092 -4.841 -5.355 1.00 0.00 H new ATOM 0 HG LEU A 35 -7.712 -6.944 -6.520 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -5.586 -7.391 -7.722 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -6.598 -6.188 -8.557 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -5.183 -5.661 -7.614 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -5.565 -7.587 -5.352 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -5.201 -5.859 -5.130 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -6.609 -6.584 -4.317 1.00 0.00 H new ATOM 545 N PRO A 36 -10.698 -4.253 -6.567 1.00 0.00 N ATOM 546 CA PRO A 36 -11.971 -3.618 -6.225 1.00 0.00 C ATOM 547 C PRO A 36 -11.917 -2.778 -4.939 1.00 0.00 C ATOM 548 O PRO A 36 -11.555 -1.602 -5.005 1.00 0.00 O ATOM 549 CB PRO A 36 -12.996 -4.764 -6.196 1.00 0.00 C ATOM 550 CG PRO A 36 -12.145 -5.977 -5.832 1.00 0.00 C ATOM 551 CD PRO A 36 -10.838 -5.698 -6.548 1.00 0.00 C ATOM 0 HA PRO A 36 -12.254 -2.867 -6.963 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -13.780 -4.586 -5.460 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -13.487 -4.891 -7.161 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -12.005 -6.064 -4.755 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -12.601 -6.907 -6.171 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -10.001 -6.165 -6.030 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -10.852 -6.103 -7.560 1.00 0.00 H new ATOM 559 N LYS A 37 -12.295 -3.324 -3.769 1.00 0.00 N ATOM 560 CA LYS A 37 -12.240 -2.561 -2.519 1.00 0.00 C ATOM 561 C LYS A 37 -11.877 -3.415 -1.321 1.00 0.00 C ATOM 562 O LYS A 37 -10.884 -3.104 -0.678 1.00 0.00 O ATOM 563 CB LYS A 37 -13.523 -1.745 -2.298 1.00 0.00 C ATOM 564 CG LYS A 37 -13.255 -0.425 -1.552 1.00 0.00 C ATOM 565 CD LYS A 37 -12.563 0.593 -2.472 1.00 0.00 C ATOM 566 CE LYS A 37 -11.976 1.785 -1.720 1.00 0.00 C ATOM 567 NZ LYS A 37 -10.912 2.414 -2.526 1.00 0.00 N ATOM 0 H LYS A 37 -12.637 -4.280 -3.668 1.00 0.00 H new ATOM 0 HA LYS A 37 -11.423 -1.847 -2.624 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -13.983 -1.528 -3.262 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -14.237 -2.342 -1.731 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -14.195 -0.011 -1.187 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -12.631 -0.616 -0.679 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -11.767 0.092 -3.023 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -13.281 0.954 -3.208 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -12.759 2.512 -1.505 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -11.573 1.458 -0.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -10.483 3.193 -1.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -10.184 1.707 -2.752 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -11.319 2.786 -3.408 1.00 0.00 H new ATOM 581 N LEU A 38 -12.587 -4.508 -1.036 1.00 0.00 N ATOM 582 CA LEU A 38 -12.157 -5.400 0.039 1.00 0.00 C ATOM 583 C LEU A 38 -10.857 -6.071 -0.387 1.00 0.00 C ATOM 584 O LEU A 38 -9.876 -6.035 0.348 1.00 0.00 O ATOM 585 CB LEU A 38 -13.229 -6.440 0.398 1.00 0.00 C ATOM 586 CG LEU A 38 -12.726 -7.506 1.397 1.00 0.00 C ATOM 587 CD1 LEU A 38 -12.217 -6.919 2.720 1.00 0.00 C ATOM 588 CD2 LEU A 38 -13.867 -8.474 1.693 1.00 0.00 C ATOM 0 H LEU A 38 -13.439 -4.791 -1.520 1.00 0.00 H new ATOM 0 HA LEU A 38 -11.996 -4.813 0.943 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -14.093 -5.930 0.824 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -13.567 -6.934 -0.513 1.00 0.00 H new ATOM 0 HG LEU A 38 -11.878 -8.006 0.929 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -11.881 -7.726 3.371 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -11.386 -6.242 2.522 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -13.023 -6.371 3.209 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -13.527 -9.233 2.397 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -14.705 -7.927 2.125 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -14.186 -8.954 0.768 1.00 0.00 H new ATOM 600 N VAL A 39 -10.840 -6.659 -1.585 1.00 0.00 N ATOM 601 CA VAL A 39 -9.665 -7.350 -2.105 1.00 0.00 C ATOM 602 C VAL A 39 -8.527 -6.334 -2.257 1.00 0.00 C ATOM 603 O VAL A 39 -7.390 -6.643 -1.912 1.00 0.00 O ATOM 604 CB VAL A 39 -10.009 -8.061 -3.430 1.00 0.00 C ATOM 605 CG1 VAL A 39 -8.864 -8.955 -3.916 1.00 0.00 C ATOM 606 CG2 VAL A 39 -11.285 -8.914 -3.327 1.00 0.00 C ATOM 0 H VAL A 39 -11.640 -6.668 -2.218 1.00 0.00 H new ATOM 0 HA VAL A 39 -9.336 -8.126 -1.414 1.00 0.00 H new ATOM 0 HB VAL A 39 -10.176 -7.260 -4.150 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -9.150 -9.436 -4.852 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -7.972 -8.349 -4.077 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -8.654 -9.717 -3.166 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -11.481 -9.392 -4.287 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -11.151 -9.678 -2.561 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -12.128 -8.277 -3.060 1.00 0.00 H new ATOM 616 N GLU A 40 -8.842 -5.116 -2.725 1.00 0.00 N ATOM 617 CA GLU A 40 -7.891 -4.010 -2.799 1.00 0.00 C ATOM 618 C GLU A 40 -7.312 -3.782 -1.410 1.00 0.00 C ATOM 619 O GLU A 40 -6.099 -3.795 -1.254 1.00 0.00 O ATOM 620 CB GLU A 40 -8.567 -2.736 -3.338 1.00 0.00 C ATOM 621 CG GLU A 40 -7.631 -1.520 -3.327 1.00 0.00 C ATOM 622 CD GLU A 40 -8.306 -0.233 -3.808 1.00 0.00 C ATOM 623 OE1 GLU A 40 -8.908 0.498 -2.984 1.00 0.00 O ATOM 624 OE2 GLU A 40 -8.157 0.116 -5.001 1.00 0.00 O ATOM 0 H GLU A 40 -9.773 -4.875 -3.064 1.00 0.00 H new ATOM 0 HA GLU A 40 -7.088 -4.259 -3.493 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -8.911 -2.915 -4.357 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -9.449 -2.516 -2.737 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -7.255 -1.369 -2.315 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -6.768 -1.728 -3.960 1.00 0.00 H new ATOM 631 N GLN A 41 -8.155 -3.596 -0.398 1.00 0.00 N ATOM 632 CA GLN A 41 -7.694 -3.279 0.934 1.00 0.00 C ATOM 633 C GLN A 41 -6.863 -4.429 1.505 1.00 0.00 C ATOM 634 O GLN A 41 -5.916 -4.141 2.222 1.00 0.00 O ATOM 635 CB GLN A 41 -8.872 -2.862 1.827 1.00 0.00 C ATOM 636 CG GLN A 41 -8.345 -2.155 3.083 1.00 0.00 C ATOM 637 CD GLN A 41 -9.391 -1.531 3.997 1.00 0.00 C ATOM 638 OE1 GLN A 41 -9.028 -0.928 5.003 1.00 0.00 O ATOM 639 NE2 GLN A 41 -10.677 -1.591 3.691 1.00 0.00 N ATOM 0 H GLN A 41 -9.169 -3.662 -0.486 1.00 0.00 H new ATOM 0 HA GLN A 41 -7.026 -2.418 0.894 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -9.540 -2.198 1.278 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -9.455 -3.739 2.109 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -7.769 -2.875 3.664 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -7.654 -1.372 2.770 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -10.980 -2.092 2.855 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -11.366 -1.137 4.291 1.00 0.00 H new ATOM 648 N VAL A 42 -7.136 -5.698 1.188 1.00 0.00 N ATOM 649 CA VAL A 42 -6.277 -6.808 1.607 1.00 0.00 C ATOM 650 C VAL A 42 -4.908 -6.631 0.970 1.00 0.00 C ATOM 651 O VAL A 42 -3.909 -6.572 1.685 1.00 0.00 O ATOM 652 CB VAL A 42 -6.895 -8.170 1.241 1.00 0.00 C ATOM 653 CG1 VAL A 42 -5.913 -9.346 1.399 1.00 0.00 C ATOM 654 CG2 VAL A 42 -8.086 -8.405 2.163 1.00 0.00 C ATOM 0 H VAL A 42 -7.948 -5.982 0.641 1.00 0.00 H new ATOM 0 HA VAL A 42 -6.176 -6.796 2.692 1.00 0.00 H new ATOM 0 HB VAL A 42 -7.182 -8.133 0.190 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -6.412 -10.276 1.125 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -5.052 -9.191 0.749 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -5.579 -9.405 2.435 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -8.545 -9.365 1.927 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -7.748 -8.410 3.199 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -8.817 -7.609 2.023 1.00 0.00 H new ATOM 664 N ALA A 43 -4.867 -6.534 -0.362 1.00 0.00 N ATOM 665 CA ALA A 43 -3.632 -6.358 -1.102 1.00 0.00 C ATOM 666 C ALA A 43 -2.855 -5.158 -0.572 1.00 0.00 C ATOM 667 O ALA A 43 -1.635 -5.225 -0.471 1.00 0.00 O ATOM 668 CB ALA A 43 -3.958 -6.187 -2.586 1.00 0.00 C ATOM 0 H ALA A 43 -5.698 -6.577 -0.952 1.00 0.00 H new ATOM 0 HA ALA A 43 -3.003 -7.239 -0.974 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -3.034 -6.054 -3.149 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -4.479 -7.073 -2.948 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -4.594 -5.312 -2.720 1.00 0.00 H new ATOM 674 N LEU A 44 -3.551 -4.073 -0.232 1.00 0.00 N ATOM 675 CA LEU A 44 -2.921 -2.849 0.211 1.00 0.00 C ATOM 676 C LEU A 44 -2.539 -2.891 1.688 1.00 0.00 C ATOM 677 O LEU A 44 -1.595 -2.205 2.073 1.00 0.00 O ATOM 678 CB LEU A 44 -3.792 -1.615 -0.079 1.00 0.00 C ATOM 679 CG LEU A 44 -3.991 -1.276 -1.572 1.00 0.00 C ATOM 680 CD1 LEU A 44 -4.821 0.004 -1.679 1.00 0.00 C ATOM 681 CD2 LEU A 44 -2.702 -1.059 -2.368 1.00 0.00 C ATOM 0 H LEU A 44 -4.570 -4.028 -0.259 1.00 0.00 H new ATOM 0 HA LEU A 44 -2.001 -2.761 -0.368 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -4.771 -1.769 0.374 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -3.345 -0.752 0.415 1.00 0.00 H new ATOM 0 HG LEU A 44 -4.483 -2.147 -2.005 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -4.969 0.255 -2.729 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -5.789 -0.149 -1.203 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -4.297 0.820 -1.181 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -2.949 -0.827 -3.404 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -2.141 -0.231 -1.934 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -2.096 -1.965 -2.334 1.00 0.00 H new ATOM 693 N ASN A 45 -3.243 -3.653 2.536 1.00 0.00 N ATOM 694 CA ASN A 45 -2.936 -3.736 3.972 1.00 0.00 C ATOM 695 C ASN A 45 -1.852 -4.787 4.219 1.00 0.00 C ATOM 696 O ASN A 45 -1.587 -5.140 5.370 1.00 0.00 O ATOM 697 CB ASN A 45 -4.202 -3.999 4.823 1.00 0.00 C ATOM 698 CG ASN A 45 -5.066 -2.753 5.012 1.00 0.00 C ATOM 699 OD1 ASN A 45 -5.578 -2.478 6.088 1.00 0.00 O ATOM 700 ND2 ASN A 45 -5.265 -1.955 3.980 1.00 0.00 N ATOM 0 H ASN A 45 -4.037 -4.226 2.249 1.00 0.00 H new ATOM 0 HA ASN A 45 -2.551 -2.768 4.293 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -4.797 -4.778 4.347 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -3.903 -4.379 5.800 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -5.841 -1.119 4.085 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -4.843 -2.174 3.077 1.00 0.00 H new ATOM 707 N ALA A 46 -1.216 -5.284 3.155 1.00 0.00 N ATOM 708 CA ALA A 46 -0.139 -6.240 3.185 1.00 0.00 C ATOM 709 C ALA A 46 0.993 -5.777 2.288 1.00 0.00 C ATOM 710 O ALA A 46 0.782 -5.001 1.362 1.00 0.00 O ATOM 711 CB ALA A 46 -0.664 -7.589 2.678 1.00 0.00 C ATOM 0 H ALA A 46 -1.462 -5.007 2.205 1.00 0.00 H new ATOM 0 HA ALA A 46 0.233 -6.337 4.205 1.00 0.00 H new ATOM 0 HB1 ALA A 46 0.142 -8.323 2.695 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -1.477 -7.928 3.320 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -1.030 -7.477 1.658 1.00 0.00 H new ATOM 717 N TRP A 47 2.190 -6.287 2.546 1.00 0.00 N ATOM 718 CA TRP A 47 3.356 -6.069 1.712 1.00 0.00 C ATOM 719 C TRP A 47 3.554 -7.405 1.007 1.00 0.00 C ATOM 720 O TRP A 47 3.417 -8.482 1.603 1.00 0.00 O ATOM 721 CB TRP A 47 4.560 -5.578 2.517 1.00 0.00 C ATOM 722 CG TRP A 47 5.027 -6.428 3.654 1.00 0.00 C ATOM 723 CD1 TRP A 47 4.615 -6.326 4.937 1.00 0.00 C ATOM 724 CD2 TRP A 47 6.035 -7.481 3.637 1.00 0.00 C ATOM 725 NE1 TRP A 47 5.306 -7.229 5.717 1.00 0.00 N ATOM 726 CE2 TRP A 47 6.217 -7.952 4.971 1.00 0.00 C ATOM 727 CE3 TRP A 47 6.826 -8.074 2.633 1.00 0.00 C ATOM 728 CZ2 TRP A 47 7.124 -8.977 5.282 1.00 0.00 C ATOM 729 CZ3 TRP A 47 7.750 -9.085 2.946 1.00 0.00 C ATOM 730 CH2 TRP A 47 7.884 -9.553 4.258 1.00 0.00 C ATOM 0 H TRP A 47 2.377 -6.875 3.358 1.00 0.00 H new ATOM 0 HA TRP A 47 3.227 -5.266 0.986 1.00 0.00 H new ATOM 0 HB2 TRP A 47 5.395 -5.451 1.828 1.00 0.00 H new ATOM 0 HB3 TRP A 47 4.320 -4.591 2.912 1.00 0.00 H new ATOM 0 HD1 TRP A 47 3.860 -5.642 5.296 1.00 0.00 H new ATOM 0 HE1 TRP A 47 5.163 -7.348 6.720 1.00 0.00 H new ATOM 0 HE3 TRP A 47 6.721 -7.747 1.609 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 7.234 -9.318 6.301 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 8.365 -9.506 2.164 1.00 0.00 H new ATOM 0 HH2 TRP A 47 8.572 -10.356 4.479 1.00 0.00 H new ATOM 741 N LYS A 48 3.768 -7.338 -0.301 1.00 0.00 N ATOM 742 CA LYS A 48 3.836 -8.508 -1.154 1.00 0.00 C ATOM 743 C LYS A 48 5.243 -9.066 -1.217 1.00 0.00 C ATOM 744 O LYS A 48 6.082 -8.484 -1.904 1.00 0.00 O ATOM 745 CB LYS A 48 3.369 -8.074 -2.554 1.00 0.00 C ATOM 746 CG LYS A 48 3.340 -9.191 -3.605 1.00 0.00 C ATOM 747 CD LYS A 48 3.879 -8.767 -4.987 1.00 0.00 C ATOM 748 CE LYS A 48 5.343 -9.153 -5.227 1.00 0.00 C ATOM 749 NZ LYS A 48 6.306 -8.183 -4.667 1.00 0.00 N ATOM 0 H LYS A 48 3.900 -6.459 -0.800 1.00 0.00 H new ATOM 0 HA LYS A 48 3.201 -9.299 -0.755 1.00 0.00 H new ATOM 0 HB2 LYS A 48 2.369 -7.648 -2.471 1.00 0.00 H new ATOM 0 HB3 LYS A 48 4.025 -7.279 -2.909 1.00 0.00 H new ATOM 0 HG2 LYS A 48 3.927 -10.034 -3.241 1.00 0.00 H new ATOM 0 HG3 LYS A 48 2.314 -9.542 -3.719 1.00 0.00 H new ATOM 0 HD2 LYS A 48 3.262 -9.221 -5.762 1.00 0.00 H new ATOM 0 HD3 LYS A 48 3.776 -7.687 -5.090 1.00 0.00 H new ATOM 0 HE2 LYS A 48 5.529 -10.133 -4.788 1.00 0.00 H new ATOM 0 HE3 LYS A 48 5.515 -9.246 -6.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 7.237 -8.323 -5.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 5.975 -7.216 -4.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 6.386 -8.326 -3.640 1.00 0.00 H new ATOM 763 N GLU A 49 5.512 -10.156 -0.510 1.00 0.00 N ATOM 764 CA GLU A 49 6.792 -10.821 -0.647 1.00 0.00 C ATOM 765 C GLU A 49 6.685 -11.663 -1.920 1.00 0.00 C ATOM 766 O GLU A 49 5.592 -12.079 -2.314 1.00 0.00 O ATOM 767 CB GLU A 49 7.097 -11.703 0.572 1.00 0.00 C ATOM 768 CG GLU A 49 8.530 -12.271 0.596 1.00 0.00 C ATOM 769 CD GLU A 49 9.629 -11.200 0.603 1.00 0.00 C ATOM 770 OE1 GLU A 49 9.813 -10.475 -0.401 1.00 0.00 O ATOM 771 OE2 GLU A 49 10.338 -11.077 1.630 1.00 0.00 O ATOM 0 H GLU A 49 4.869 -10.590 0.153 1.00 0.00 H new ATOM 0 HA GLU A 49 7.608 -10.101 -0.708 1.00 0.00 H new ATOM 0 HB2 GLU A 49 6.934 -11.120 1.479 1.00 0.00 H new ATOM 0 HB3 GLU A 49 6.389 -12.531 0.594 1.00 0.00 H new ATOM 0 HG2 GLU A 49 8.645 -12.900 1.479 1.00 0.00 H new ATOM 0 HG3 GLU A 49 8.669 -12.913 -0.274 1.00 0.00 H new ATOM 778 N GLU A 50 7.812 -11.946 -2.555 1.00 0.00 N ATOM 779 CA GLU A 50 7.877 -12.742 -3.767 1.00 0.00 C ATOM 780 C GLU A 50 9.003 -13.737 -3.558 1.00 0.00 C ATOM 781 O GLU A 50 10.174 -13.368 -3.420 1.00 0.00 O ATOM 782 CB GLU A 50 8.067 -11.796 -4.941 1.00 0.00 C ATOM 783 CG GLU A 50 8.102 -12.426 -6.334 1.00 0.00 C ATOM 784 CD GLU A 50 8.051 -11.318 -7.391 1.00 0.00 C ATOM 785 OE1 GLU A 50 8.756 -10.288 -7.221 1.00 0.00 O ATOM 786 OE2 GLU A 50 7.253 -11.420 -8.345 1.00 0.00 O ATOM 0 H GLU A 50 8.724 -11.621 -2.234 1.00 0.00 H new ATOM 0 HA GLU A 50 6.972 -13.309 -3.987 1.00 0.00 H new ATOM 0 HB2 GLU A 50 7.261 -11.062 -4.920 1.00 0.00 H new ATOM 0 HB3 GLU A 50 8.999 -11.251 -4.791 1.00 0.00 H new ATOM 0 HG2 GLU A 50 9.009 -13.019 -6.455 1.00 0.00 H new ATOM 0 HG3 GLU A 50 7.258 -13.104 -6.460 1.00 0.00 H new ATOM 793 N SER A 51 8.603 -14.990 -3.415 1.00 0.00 N ATOM 794 CA SER A 51 9.438 -16.144 -3.206 1.00 0.00 C ATOM 795 C SER A 51 9.844 -16.629 -4.604 1.00 0.00 C ATOM 796 O SER A 51 9.428 -16.056 -5.616 1.00 0.00 O ATOM 797 CB SER A 51 8.560 -17.101 -2.379 1.00 0.00 C ATOM 798 OG SER A 51 9.088 -18.384 -2.109 1.00 0.00 O ATOM 0 H SER A 51 7.614 -15.236 -3.445 1.00 0.00 H new ATOM 0 HA SER A 51 10.370 -16.001 -2.660 1.00 0.00 H new ATOM 0 HB2 SER A 51 8.337 -16.619 -1.427 1.00 0.00 H new ATOM 0 HB3 SER A 51 7.612 -17.228 -2.902 1.00 0.00 H new ATOM 0 HG SER A 51 8.444 -18.898 -1.578 1.00 0.00 H new ATOM 804 N ASP A 52 10.662 -17.674 -4.667 1.00 0.00 N ATOM 805 CA ASP A 52 11.119 -18.295 -5.908 1.00 0.00 C ATOM 806 C ASP A 52 9.968 -18.492 -6.892 1.00 0.00 C ATOM 807 O ASP A 52 10.039 -18.053 -8.038 1.00 0.00 O ATOM 808 CB ASP A 52 11.788 -19.630 -5.575 1.00 0.00 C ATOM 809 CG ASP A 52 12.398 -20.255 -6.823 1.00 0.00 C ATOM 810 OD1 ASP A 52 13.524 -19.844 -7.193 1.00 0.00 O ATOM 811 OD2 ASP A 52 11.786 -21.182 -7.394 1.00 0.00 O ATOM 0 H ASP A 52 11.037 -18.126 -3.833 1.00 0.00 H new ATOM 0 HA ASP A 52 11.839 -17.635 -6.392 1.00 0.00 H new ATOM 0 HB2 ASP A 52 12.563 -19.476 -4.824 1.00 0.00 H new ATOM 0 HB3 ASP A 52 11.055 -20.311 -5.142 1.00 0.00 H new ATOM 816 N ASN A 53 8.861 -19.065 -6.417 1.00 0.00 N ATOM 817 CA ASN A 53 7.710 -19.403 -7.245 1.00 0.00 C ATOM 818 C ASN A 53 6.375 -18.965 -6.636 1.00 0.00 C ATOM 819 O ASN A 53 5.332 -19.226 -7.242 1.00 0.00 O ATOM 820 CB ASN A 53 7.744 -20.912 -7.539 1.00 0.00 C ATOM 821 CG ASN A 53 8.284 -21.165 -8.936 1.00 0.00 C ATOM 822 OD1 ASN A 53 7.524 -21.167 -9.899 1.00 0.00 O ATOM 823 ND2 ASN A 53 9.573 -21.384 -9.112 1.00 0.00 N ATOM 0 H ASN A 53 8.740 -19.309 -5.434 1.00 0.00 H new ATOM 0 HA ASN A 53 7.782 -18.845 -8.178 1.00 0.00 H new ATOM 0 HB2 ASN A 53 8.368 -21.419 -6.803 1.00 0.00 H new ATOM 0 HB3 ASN A 53 6.741 -21.330 -7.448 1.00 0.00 H new ATOM 0 HD21 ASN A 53 9.938 -21.555 -10.049 1.00 0.00 H new ATOM 0 HD22 ASN A 53 10.205 -21.382 -8.311 1.00 0.00 H new ATOM 830 N ALA A 54 6.355 -18.256 -5.500 1.00 0.00 N ATOM 831 CA ALA A 54 5.122 -17.923 -4.795 1.00 0.00 C ATOM 832 C ALA A 54 5.102 -16.434 -4.490 1.00 0.00 C ATOM 833 O ALA A 54 6.151 -15.790 -4.523 1.00 0.00 O ATOM 834 CB ALA A 54 5.087 -18.750 -3.500 1.00 0.00 C ATOM 0 H ALA A 54 7.197 -17.899 -5.048 1.00 0.00 H new ATOM 0 HA ALA A 54 4.246 -18.154 -5.401 1.00 0.00 H new ATOM 0 HB1 ALA A 54 4.175 -18.523 -2.948 1.00 0.00 H new ATOM 0 HB2 ALA A 54 5.108 -19.812 -3.746 1.00 0.00 H new ATOM 0 HB3 ALA A 54 5.953 -18.502 -2.886 1.00 0.00 H new ATOM 840 N VAL A 55 3.934 -15.885 -4.159 1.00 0.00 N ATOM 841 CA VAL A 55 3.806 -14.459 -3.873 1.00 0.00 C ATOM 842 C VAL A 55 2.932 -14.359 -2.626 1.00 0.00 C ATOM 843 O VAL A 55 1.715 -14.506 -2.706 1.00 0.00 O ATOM 844 CB VAL A 55 3.279 -13.703 -5.116 1.00 0.00 C ATOM 845 CG1 VAL A 55 3.323 -12.194 -4.880 1.00 0.00 C ATOM 846 CG2 VAL A 55 4.114 -13.960 -6.387 1.00 0.00 C ATOM 0 H VAL A 55 3.062 -16.408 -4.082 1.00 0.00 H new ATOM 0 HA VAL A 55 4.758 -13.972 -3.663 1.00 0.00 H new ATOM 0 HB VAL A 55 2.265 -14.073 -5.265 1.00 0.00 H new ATOM 0 HG11 VAL A 55 2.949 -11.677 -5.763 1.00 0.00 H new ATOM 0 HG12 VAL A 55 2.701 -11.942 -4.021 1.00 0.00 H new ATOM 0 HG13 VAL A 55 4.350 -11.886 -4.687 1.00 0.00 H new ATOM 0 HG21 VAL A 55 3.690 -13.400 -7.220 1.00 0.00 H new ATOM 0 HG22 VAL A 55 5.142 -13.637 -6.219 1.00 0.00 H new ATOM 0 HG23 VAL A 55 4.102 -15.024 -6.621 1.00 0.00 H new ATOM 856 N CYS A 56 3.547 -14.165 -1.461 1.00 0.00 N ATOM 857 CA CYS A 56 2.856 -14.187 -0.180 1.00 0.00 C ATOM 858 C CYS A 56 2.602 -12.768 0.305 1.00 0.00 C ATOM 859 O CYS A 56 3.519 -11.949 0.354 1.00 0.00 O ATOM 860 CB CYS A 56 3.688 -14.977 0.834 1.00 0.00 C ATOM 861 SG CYS A 56 3.946 -16.670 0.227 1.00 0.00 S ATOM 0 H CYS A 56 4.548 -13.987 -1.382 1.00 0.00 H new ATOM 0 HA CYS A 56 1.890 -14.678 -0.295 1.00 0.00 H new ATOM 0 HB2 CYS A 56 4.649 -14.487 0.992 1.00 0.00 H new ATOM 0 HB3 CYS A 56 3.179 -14.999 1.798 1.00 0.00 H new ATOM 0 HG CYS A 56 4.654 -17.337 1.089 1.00 0.00 H new ATOM 867 N LEU A 57 1.367 -12.468 0.697 1.00 0.00 N ATOM 868 CA LEU A 57 0.957 -11.146 1.150 1.00 0.00 C ATOM 869 C LEU A 57 1.008 -11.090 2.665 1.00 0.00 C ATOM 870 O LEU A 57 0.166 -11.670 3.345 1.00 0.00 O ATOM 871 CB LEU A 57 -0.425 -10.792 0.580 1.00 0.00 C ATOM 872 CG LEU A 57 -0.240 -10.145 -0.801 1.00 0.00 C ATOM 873 CD1 LEU A 57 -1.519 -10.177 -1.630 1.00 0.00 C ATOM 874 CD2 LEU A 57 0.186 -8.682 -0.659 1.00 0.00 C ATOM 0 H LEU A 57 0.610 -13.151 0.708 1.00 0.00 H new ATOM 0 HA LEU A 57 1.647 -10.390 0.776 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -1.040 -11.688 0.498 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -0.946 -10.108 1.250 1.00 0.00 H new ATOM 0 HG LEU A 57 0.530 -10.726 -1.308 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -1.338 -9.708 -2.597 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -1.829 -11.211 -1.780 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -2.306 -9.635 -1.106 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.312 -8.242 -1.648 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -0.579 -8.132 -0.112 1.00 0.00 H new ATOM 0 HD23 LEU A 57 1.129 -8.629 -0.116 1.00 0.00 H new ATOM 886 N HIS A 58 2.026 -10.415 3.189 1.00 0.00 N ATOM 887 CA HIS A 58 2.227 -10.246 4.626 1.00 0.00 C ATOM 888 C HIS A 58 1.368 -9.078 5.100 1.00 0.00 C ATOM 889 O HIS A 58 1.757 -7.926 4.912 1.00 0.00 O ATOM 890 CB HIS A 58 3.712 -10.003 4.916 1.00 0.00 C ATOM 891 CG HIS A 58 4.649 -11.156 4.630 1.00 0.00 C ATOM 892 ND1 HIS A 58 5.516 -11.746 5.536 1.00 0.00 N ATOM 893 CD2 HIS A 58 4.884 -11.720 3.404 1.00 0.00 C ATOM 894 CE1 HIS A 58 6.256 -12.643 4.862 1.00 0.00 C ATOM 895 NE2 HIS A 58 5.868 -12.674 3.577 1.00 0.00 N ATOM 0 H HIS A 58 2.744 -9.964 2.622 1.00 0.00 H new ATOM 0 HA HIS A 58 1.928 -11.146 5.164 1.00 0.00 H new ATOM 0 HB2 HIS A 58 4.039 -9.144 4.330 1.00 0.00 H new ATOM 0 HB3 HIS A 58 3.815 -9.731 5.966 1.00 0.00 H new ATOM 0 HD2 HIS A 58 4.392 -11.466 2.476 1.00 0.00 H new ATOM 0 HE1 HIS A 58 7.043 -13.247 5.289 1.00 0.00 H new ATOM 0 HE2 HIS A 58 6.236 -13.294 2.855 1.00 0.00 H new ATOM 904 N LEU A 59 0.197 -9.361 5.663 1.00 0.00 N ATOM 905 CA LEU A 59 -0.814 -8.390 6.072 1.00 0.00 C ATOM 906 C LEU A 59 -0.526 -7.924 7.492 1.00 0.00 C ATOM 907 O LEU A 59 -0.071 -8.720 8.310 1.00 0.00 O ATOM 908 CB LEU A 59 -2.183 -9.097 6.035 1.00 0.00 C ATOM 909 CG LEU A 59 -3.419 -8.173 6.150 1.00 0.00 C ATOM 910 CD1 LEU A 59 -4.100 -7.972 4.790 1.00 0.00 C ATOM 911 CD2 LEU A 59 -4.453 -8.783 7.101 1.00 0.00 C ATOM 0 H LEU A 59 -0.087 -10.321 5.856 1.00 0.00 H new ATOM 0 HA LEU A 59 -0.807 -7.526 5.407 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -2.257 -9.657 5.103 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -2.218 -9.823 6.847 1.00 0.00 H new ATOM 0 HG LEU A 59 -3.064 -7.214 6.527 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -4.964 -7.318 4.909 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -3.395 -7.519 4.093 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -4.426 -8.936 4.400 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -5.317 -8.122 7.172 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -4.769 -9.754 6.720 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -4.010 -8.908 8.089 1.00 0.00 H new ATOM 923 N ARG A 60 -0.818 -6.659 7.810 1.00 0.00 N ATOM 924 CA ARG A 60 -0.699 -6.175 9.185 1.00 0.00 C ATOM 925 C ARG A 60 -1.650 -7.021 10.027 1.00 0.00 C ATOM 926 O ARG A 60 -2.854 -7.015 9.750 1.00 0.00 O ATOM 927 CB ARG A 60 -1.136 -4.708 9.307 1.00 0.00 C ATOM 928 CG ARG A 60 -0.343 -3.650 8.527 1.00 0.00 C ATOM 929 CD ARG A 60 0.954 -3.251 9.243 1.00 0.00 C ATOM 930 NE ARG A 60 1.247 -1.813 9.109 1.00 0.00 N ATOM 931 CZ ARG A 60 2.213 -1.155 9.763 1.00 0.00 C ATOM 932 NH1 ARG A 60 3.193 -1.815 10.364 1.00 0.00 N ATOM 933 NH2 ARG A 60 2.210 0.167 9.824 1.00 0.00 N ATOM 0 H ARG A 60 -1.135 -5.959 7.140 1.00 0.00 H new ATOM 0 HA ARG A 60 0.339 -6.249 9.509 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -2.178 -4.643 8.992 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -1.104 -4.437 10.362 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -0.105 -4.035 7.536 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -0.964 -2.766 8.384 1.00 0.00 H new ATOM 0 HD2 ARG A 60 0.877 -3.507 10.300 1.00 0.00 H new ATOM 0 HD3 ARG A 60 1.784 -3.828 8.835 1.00 0.00 H new ATOM 0 HE ARG A 60 0.667 -1.275 8.466 1.00 0.00 H new ATOM 0 HH11 ARG A 60 3.217 -2.834 10.331 1.00 0.00 H new ATOM 0 HH12 ARG A 60 3.924 -1.304 10.859 1.00 0.00 H new ATOM 0 HH21 ARG A 60 1.466 0.697 9.370 1.00 0.00 H new ATOM 0 HH22 ARG A 60 2.952 0.656 10.325 1.00 0.00 H new ATOM 947 N SER A 61 -1.177 -7.687 11.080 1.00 0.00 N ATOM 948 CA SER A 61 -2.071 -8.417 11.972 1.00 0.00 C ATOM 949 C SER A 61 -3.119 -7.485 12.587 1.00 0.00 C ATOM 950 O SER A 61 -4.222 -7.930 12.901 1.00 0.00 O ATOM 951 CB SER A 61 -1.280 -9.081 13.093 1.00 0.00 C ATOM 952 OG SER A 61 -0.249 -9.900 12.587 1.00 0.00 O ATOM 0 H SER A 61 -0.190 -7.735 11.333 1.00 0.00 H new ATOM 0 HA SER A 61 -2.577 -9.178 11.378 1.00 0.00 H new ATOM 0 HB2 SER A 61 -0.852 -8.315 13.740 1.00 0.00 H new ATOM 0 HB3 SER A 61 -1.952 -9.679 13.708 1.00 0.00 H new ATOM 0 HG SER A 61 0.239 -10.309 13.332 1.00 0.00 H new ATOM 958 N SER A 62 -2.815 -6.196 12.740 1.00 0.00 N ATOM 959 CA SER A 62 -3.723 -5.211 13.306 1.00 0.00 C ATOM 960 C SER A 62 -4.900 -4.922 12.365 1.00 0.00 C ATOM 961 O SER A 62 -5.946 -4.455 12.821 1.00 0.00 O ATOM 962 CB SER A 62 -2.942 -3.940 13.648 1.00 0.00 C ATOM 963 OG SER A 62 -1.953 -4.225 14.621 1.00 0.00 O ATOM 0 H SER A 62 -1.913 -5.805 12.468 1.00 0.00 H new ATOM 0 HA SER A 62 -4.155 -5.613 14.222 1.00 0.00 H new ATOM 0 HB2 SER A 62 -2.474 -3.538 12.749 1.00 0.00 H new ATOM 0 HB3 SER A 62 -3.622 -3.175 14.023 1.00 0.00 H new ATOM 0 HG SER A 62 -1.141 -4.549 14.177 1.00 0.00 H new ATOM 969 N GLN A 63 -4.783 -5.266 11.078 1.00 0.00 N ATOM 970 CA GLN A 63 -5.800 -5.097 10.040 1.00 0.00 C ATOM 971 C GLN A 63 -6.286 -6.466 9.526 1.00 0.00 C ATOM 972 O GLN A 63 -6.889 -6.578 8.454 1.00 0.00 O ATOM 973 CB GLN A 63 -5.303 -4.139 8.942 1.00 0.00 C ATOM 974 CG GLN A 63 -5.307 -2.659 9.378 1.00 0.00 C ATOM 975 CD GLN A 63 -4.333 -2.324 10.504 1.00 0.00 C ATOM 976 OE1 GLN A 63 -3.170 -2.709 10.468 1.00 0.00 O ATOM 977 NE2 GLN A 63 -4.761 -1.610 11.529 1.00 0.00 N ATOM 0 H GLN A 63 -3.930 -5.692 10.715 1.00 0.00 H new ATOM 0 HA GLN A 63 -6.683 -4.618 10.464 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -4.291 -4.423 8.652 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -5.931 -4.252 8.059 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -5.069 -2.039 8.514 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -6.315 -2.390 9.695 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -5.729 -1.290 11.559 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -4.124 -1.379 12.291 1.00 0.00 H new ATOM 986 N ARG A 64 -6.134 -7.523 10.337 1.00 0.00 N ATOM 987 CA ARG A 64 -6.587 -8.877 10.011 1.00 0.00 C ATOM 988 C ARG A 64 -8.085 -8.957 9.735 1.00 0.00 C ATOM 989 O ARG A 64 -8.513 -9.926 9.106 1.00 0.00 O ATOM 990 CB ARG A 64 -6.216 -9.839 11.151 1.00 0.00 C ATOM 991 CG ARG A 64 -6.913 -9.498 12.486 1.00 0.00 C ATOM 992 CD ARG A 64 -6.442 -10.435 13.598 1.00 0.00 C ATOM 993 NE ARG A 64 -6.976 -11.786 13.402 1.00 0.00 N ATOM 994 CZ ARG A 64 -8.149 -12.270 13.815 1.00 0.00 C ATOM 995 NH1 ARG A 64 -8.973 -11.551 14.576 1.00 0.00 N ATOM 996 NH2 ARG A 64 -8.496 -13.495 13.449 1.00 0.00 N ATOM 0 H ARG A 64 -5.686 -7.457 11.251 1.00 0.00 H new ATOM 0 HA ARG A 64 -6.080 -9.166 9.090 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -6.480 -10.856 10.860 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -5.136 -9.820 11.297 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -6.699 -8.465 12.760 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -7.994 -9.580 12.369 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -5.353 -10.469 13.614 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -6.763 -10.049 14.565 1.00 0.00 H new ATOM 0 HE ARG A 64 -6.379 -12.434 12.888 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -8.713 -10.606 14.857 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -9.864 -11.946 14.877 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -7.871 -14.048 12.863 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -9.388 -13.885 13.753 1.00 0.00 H new ATOM 1010 N HIS A 65 -8.895 -7.969 10.135 1.00 0.00 N ATOM 1011 CA HIS A 65 -10.316 -7.983 9.806 1.00 0.00 C ATOM 1012 C HIS A 65 -10.557 -7.971 8.295 1.00 0.00 C ATOM 1013 O HIS A 65 -11.633 -8.416 7.888 1.00 0.00 O ATOM 1014 CB HIS A 65 -11.080 -6.837 10.493 1.00 0.00 C ATOM 1015 CG HIS A 65 -12.443 -7.245 11.005 1.00 0.00 C ATOM 1016 ND1 HIS A 65 -13.313 -8.171 10.445 1.00 0.00 N ATOM 1017 CD2 HIS A 65 -12.978 -6.831 12.192 1.00 0.00 C ATOM 1018 CE1 HIS A 65 -14.346 -8.317 11.298 1.00 0.00 C ATOM 1019 NE2 HIS A 65 -14.162 -7.514 12.364 1.00 0.00 N ATOM 0 H HIS A 65 -8.591 -7.162 10.680 1.00 0.00 H new ATOM 0 HA HIS A 65 -10.711 -8.922 10.195 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -10.485 -6.462 11.326 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -11.197 -6.014 9.788 1.00 0.00 H new ATOM 0 HD1 HIS A 65 -13.193 -8.652 9.553 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -12.553 -6.105 12.869 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -15.190 -8.975 11.150 1.00 0.00 H new ATOM 1028 N LEU A 66 -9.621 -7.506 7.457 1.00 0.00 N ATOM 1029 CA LEU A 66 -9.794 -7.609 6.007 1.00 0.00 C ATOM 1030 C LEU A 66 -9.407 -8.999 5.502 1.00 0.00 C ATOM 1031 O LEU A 66 -10.049 -9.491 4.582 1.00 0.00 O ATOM 1032 CB LEU A 66 -8.982 -6.566 5.218 1.00 0.00 C ATOM 1033 CG LEU A 66 -9.309 -5.075 5.412 1.00 0.00 C ATOM 1034 CD1 LEU A 66 -10.789 -4.773 5.679 1.00 0.00 C ATOM 1035 CD2 LEU A 66 -8.441 -4.451 6.498 1.00 0.00 C ATOM 0 H LEU A 66 -8.752 -7.063 7.754 1.00 0.00 H new ATOM 0 HA LEU A 66 -10.853 -7.419 5.833 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -7.930 -6.709 5.466 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -9.093 -6.794 4.158 1.00 0.00 H new ATOM 0 HG LEU A 66 -9.078 -4.617 4.450 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -10.925 -3.699 5.803 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -11.389 -5.120 4.837 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -11.107 -5.286 6.587 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -8.698 -3.398 6.609 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -8.612 -4.968 7.442 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -7.391 -4.541 6.221 1.00 0.00 H new ATOM 1047 N ASN A 67 -8.363 -9.625 6.061 1.00 0.00 N ATOM 1048 CA ASN A 67 -7.853 -10.901 5.554 1.00 0.00 C ATOM 1049 C ASN A 67 -8.828 -12.033 5.793 1.00 0.00 C ATOM 1050 O ASN A 67 -9.011 -12.464 6.935 1.00 0.00 O ATOM 1051 CB ASN A 67 -6.504 -11.310 6.165 1.00 0.00 C ATOM 1052 CG ASN A 67 -6.158 -12.776 5.867 1.00 0.00 C ATOM 1053 OD1 ASN A 67 -6.425 -13.268 4.775 1.00 0.00 O ATOM 1054 ND2 ASN A 67 -5.590 -13.517 6.803 1.00 0.00 N ATOM 0 H ASN A 67 -7.855 -9.264 6.868 1.00 0.00 H new ATOM 0 HA ASN A 67 -7.717 -10.731 4.486 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -5.718 -10.665 5.772 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -6.533 -11.157 7.244 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -5.374 -14.496 6.617 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -5.368 -13.109 7.711 1.00 0.00 H new ATOM 1061 N ASN A 68 -9.561 -12.412 4.757 1.00 0.00 N ATOM 1062 CA ASN A 68 -10.421 -13.566 4.777 1.00 0.00 C ATOM 1063 C ASN A 68 -10.120 -14.349 3.494 1.00 0.00 C ATOM 1064 O ASN A 68 -9.756 -13.764 2.469 1.00 0.00 O ATOM 1065 CB ASN A 68 -11.886 -13.188 4.955 1.00 0.00 C ATOM 1066 CG ASN A 68 -12.626 -12.996 3.648 1.00 0.00 C ATOM 1067 OD1 ASN A 68 -13.467 -13.967 3.375 1.00 0.00 O flip ATOM 1068 ND2 ASN A 68 -12.448 -12.054 2.888 1.00 0.00 N flip ATOM 0 H ASN A 68 -9.569 -11.912 3.868 1.00 0.00 H new ATOM 0 HA ASN A 68 -10.223 -14.201 5.641 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -12.385 -13.965 5.535 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -11.947 -12.268 5.536 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -11.786 -11.318 3.134 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -12.962 -12.005 2.008 1.00 0.00 H new ATOM 1075 N ARG A 69 -10.340 -15.662 3.509 1.00 0.00 N ATOM 1076 CA ARG A 69 -10.034 -16.528 2.369 1.00 0.00 C ATOM 1077 C ARG A 69 -10.891 -16.208 1.146 1.00 0.00 C ATOM 1078 O ARG A 69 -10.505 -16.489 0.013 1.00 0.00 O ATOM 1079 CB ARG A 69 -10.232 -17.973 2.824 1.00 0.00 C ATOM 1080 CG ARG A 69 -9.476 -18.995 1.960 1.00 0.00 C ATOM 1081 CD ARG A 69 -9.380 -20.326 2.712 1.00 0.00 C ATOM 1082 NE ARG A 69 -8.464 -20.217 3.854 1.00 0.00 N ATOM 1083 CZ ARG A 69 -8.510 -20.904 4.995 1.00 0.00 C ATOM 1084 NH1 ARG A 69 -9.335 -21.941 5.135 1.00 0.00 N ATOM 1085 NH2 ARG A 69 -7.729 -20.529 5.999 1.00 0.00 N ATOM 0 H ARG A 69 -10.735 -16.156 4.309 1.00 0.00 H new ATOM 0 HA ARG A 69 -9.004 -16.362 2.053 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -9.902 -18.069 3.859 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -11.296 -18.209 2.805 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -9.992 -19.138 1.011 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -8.478 -18.623 1.727 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -10.369 -20.623 3.061 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -9.033 -21.107 2.035 1.00 0.00 H new ATOM 0 HE ARG A 69 -7.707 -19.539 3.764 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -9.942 -22.218 4.363 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -9.360 -22.458 6.014 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -7.108 -19.728 5.890 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -7.750 -21.042 6.880 1.00 0.00 H new ATOM 1099 N GLY A 70 -12.064 -15.622 1.364 1.00 0.00 N ATOM 1100 CA GLY A 70 -12.945 -15.139 0.315 1.00 0.00 C ATOM 1101 C GLY A 70 -12.228 -14.113 -0.551 1.00 0.00 C ATOM 1102 O GLY A 70 -12.133 -14.311 -1.764 1.00 0.00 O ATOM 0 H GLY A 70 -12.435 -15.467 2.302 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -13.279 -15.974 -0.301 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -13.836 -14.692 0.757 1.00 0.00 H new ATOM 1106 N ALA A 71 -11.692 -13.050 0.058 1.00 0.00 N ATOM 1107 CA ALA A 71 -10.963 -12.015 -0.666 1.00 0.00 C ATOM 1108 C ALA A 71 -9.742 -12.598 -1.383 1.00 0.00 C ATOM 1109 O ALA A 71 -9.468 -12.223 -2.526 1.00 0.00 O ATOM 1110 CB ALA A 71 -10.549 -10.903 0.304 1.00 0.00 C ATOM 0 H ALA A 71 -11.753 -12.887 1.063 1.00 0.00 H new ATOM 0 HA ALA A 71 -11.618 -11.594 -1.429 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -10.004 -10.131 -0.239 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -11.438 -10.468 0.759 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -9.909 -11.319 1.082 1.00 0.00 H new ATOM 1116 N GLN A 72 -9.036 -13.538 -0.743 1.00 0.00 N ATOM 1117 CA GLN A 72 -7.884 -14.215 -1.330 1.00 0.00 C ATOM 1118 C GLN A 72 -8.229 -14.878 -2.660 1.00 0.00 C ATOM 1119 O GLN A 72 -7.359 -14.946 -3.517 1.00 0.00 O ATOM 1120 CB GLN A 72 -7.339 -15.268 -0.360 1.00 0.00 C ATOM 1121 CG GLN A 72 -6.018 -15.933 -0.808 1.00 0.00 C ATOM 1122 CD GLN A 72 -5.546 -16.976 0.203 1.00 0.00 C ATOM 1123 OE1 GLN A 72 -6.187 -17.189 1.224 1.00 0.00 O ATOM 1124 NE2 GLN A 72 -4.432 -17.653 -0.020 1.00 0.00 N ATOM 0 H GLN A 72 -9.254 -13.849 0.204 1.00 0.00 H new ATOM 0 HA GLN A 72 -7.124 -13.457 -1.519 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -7.184 -14.801 0.613 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -8.093 -16.043 -0.225 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -6.158 -16.405 -1.781 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -5.249 -15.170 -0.932 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -3.892 -17.482 -0.868 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -4.113 -18.347 0.656 1.00 0.00 H new ATOM 1133 N GLN A 73 -9.461 -15.355 -2.859 1.00 0.00 N ATOM 1134 CA GLN A 73 -9.825 -16.092 -4.064 1.00 0.00 C ATOM 1135 C GLN A 73 -9.676 -15.191 -5.291 1.00 0.00 C ATOM 1136 O GLN A 73 -9.000 -15.546 -6.255 1.00 0.00 O ATOM 1137 CB GLN A 73 -11.254 -16.659 -3.934 1.00 0.00 C ATOM 1138 CG GLN A 73 -11.417 -17.990 -4.682 1.00 0.00 C ATOM 1139 CD GLN A 73 -10.591 -19.092 -4.016 1.00 0.00 C ATOM 1140 OE1 GLN A 73 -10.822 -19.433 -2.858 1.00 0.00 O ATOM 1141 NE2 GLN A 73 -9.605 -19.651 -4.695 1.00 0.00 N ATOM 0 H GLN A 73 -10.225 -15.241 -2.193 1.00 0.00 H new ATOM 0 HA GLN A 73 -9.150 -16.939 -4.190 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -11.491 -16.804 -2.880 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -11.968 -15.934 -4.325 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -12.468 -18.277 -4.698 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -11.103 -17.870 -5.719 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -9.420 -19.363 -5.656 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -9.029 -20.371 -4.259 1.00 0.00 H new ATOM 1150 N LYS A 74 -10.260 -13.990 -5.231 1.00 0.00 N ATOM 1151 CA LYS A 74 -10.112 -13.002 -6.288 1.00 0.00 C ATOM 1152 C LYS A 74 -8.654 -12.556 -6.356 1.00 0.00 C ATOM 1153 O LYS A 74 -8.119 -12.396 -7.448 1.00 0.00 O ATOM 1154 CB LYS A 74 -11.050 -11.823 -5.998 1.00 0.00 C ATOM 1155 CG LYS A 74 -11.548 -11.069 -7.237 1.00 0.00 C ATOM 1156 CD LYS A 74 -10.463 -10.530 -8.179 1.00 0.00 C ATOM 1157 CE LYS A 74 -11.132 -9.641 -9.222 1.00 0.00 C ATOM 1158 NZ LYS A 74 -10.187 -9.166 -10.256 1.00 0.00 N ATOM 0 H LYS A 74 -10.843 -13.683 -4.452 1.00 0.00 H new ATOM 0 HA LYS A 74 -10.381 -13.426 -7.256 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -11.914 -12.193 -5.445 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -10.533 -11.119 -5.347 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -12.197 -11.735 -7.806 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -12.162 -10.232 -6.906 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -9.720 -9.963 -7.618 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -9.937 -11.353 -8.663 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -11.940 -10.194 -9.701 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -11.584 -8.782 -8.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -10.693 -8.567 -10.939 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -9.429 -8.614 -9.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -9.774 -9.983 -10.751 1.00 0.00 H new ATOM 1172 N LEU A 75 -8.003 -12.346 -5.206 1.00 0.00 N ATOM 1173 CA LEU A 75 -6.605 -11.928 -5.172 1.00 0.00 C ATOM 1174 C LEU A 75 -5.728 -12.946 -5.915 1.00 0.00 C ATOM 1175 O LEU A 75 -4.795 -12.544 -6.600 1.00 0.00 O ATOM 1176 CB LEU A 75 -6.129 -11.728 -3.718 1.00 0.00 C ATOM 1177 CG LEU A 75 -5.355 -10.420 -3.462 1.00 0.00 C ATOM 1178 CD1 LEU A 75 -5.039 -10.321 -1.966 1.00 0.00 C ATOM 1179 CD2 LEU A 75 -4.072 -10.251 -4.281 1.00 0.00 C ATOM 0 H LEU A 75 -8.428 -12.460 -4.286 1.00 0.00 H new ATOM 0 HA LEU A 75 -6.514 -10.969 -5.681 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -6.998 -11.754 -3.060 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -5.494 -12.569 -3.440 1.00 0.00 H new ATOM 0 HG LEU A 75 -6.006 -9.611 -3.793 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -4.491 -9.399 -1.770 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -5.969 -10.318 -1.397 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -4.432 -11.175 -1.665 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -3.602 -9.301 -4.029 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -3.386 -11.067 -4.054 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -4.314 -10.265 -5.344 1.00 0.00 H new ATOM 1191 N ALA A 76 -6.028 -14.244 -5.805 1.00 0.00 N ATOM 1192 CA ALA A 76 -5.260 -15.330 -6.400 1.00 0.00 C ATOM 1193 C ALA A 76 -5.427 -15.313 -7.906 1.00 0.00 C ATOM 1194 O ALA A 76 -4.437 -15.440 -8.622 1.00 0.00 O ATOM 1195 CB ALA A 76 -5.685 -16.681 -5.812 1.00 0.00 C ATOM 0 H ALA A 76 -6.839 -14.573 -5.281 1.00 0.00 H new ATOM 0 HA ALA A 76 -4.205 -15.186 -6.167 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -5.099 -17.478 -6.270 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -5.515 -16.679 -4.735 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -6.743 -16.848 -6.012 1.00 0.00 H new ATOM 1201 N GLU A 77 -6.655 -15.134 -8.390 1.00 0.00 N ATOM 1202 CA GLU A 77 -6.922 -14.978 -9.811 1.00 0.00 C ATOM 1203 C GLU A 77 -6.194 -13.742 -10.350 1.00 0.00 C ATOM 1204 O GLU A 77 -5.574 -13.800 -11.408 1.00 0.00 O ATOM 1205 CB GLU A 77 -8.439 -14.884 -10.023 1.00 0.00 C ATOM 1206 CG GLU A 77 -8.788 -14.763 -11.512 1.00 0.00 C ATOM 1207 CD GLU A 77 -10.003 -15.605 -11.869 1.00 0.00 C ATOM 1208 OE1 GLU A 77 -11.148 -15.163 -11.625 1.00 0.00 O ATOM 1209 OE2 GLU A 77 -9.797 -16.718 -12.409 1.00 0.00 O ATOM 0 H GLU A 77 -7.490 -15.094 -7.805 1.00 0.00 H new ATOM 0 HA GLU A 77 -6.548 -15.840 -10.363 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -8.922 -15.767 -9.605 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -8.831 -14.021 -9.484 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -8.982 -13.719 -11.758 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -7.936 -15.079 -12.114 1.00 0.00 H new ATOM 1216 N ALA A 78 -6.223 -12.640 -9.602 1.00 0.00 N ATOM 1217 CA ALA A 78 -5.591 -11.391 -9.983 1.00 0.00 C ATOM 1218 C ALA A 78 -4.076 -11.590 -10.091 1.00 0.00 C ATOM 1219 O ALA A 78 -3.489 -11.295 -11.129 1.00 0.00 O ATOM 1220 CB ALA A 78 -5.995 -10.297 -8.983 1.00 0.00 C ATOM 0 H ALA A 78 -6.696 -12.596 -8.700 1.00 0.00 H new ATOM 0 HA ALA A 78 -5.930 -11.066 -10.967 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -5.523 -9.355 -9.264 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -7.078 -10.177 -8.993 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -5.670 -10.581 -7.982 1.00 0.00 H new ATOM 1226 N LEU A 79 -3.433 -12.135 -9.052 1.00 0.00 N ATOM 1227 CA LEU A 79 -1.997 -12.409 -9.063 1.00 0.00 C ATOM 1228 C LEU A 79 -1.631 -13.422 -10.144 1.00 0.00 C ATOM 1229 O LEU A 79 -0.571 -13.301 -10.756 1.00 0.00 O ATOM 1230 CB LEU A 79 -1.508 -12.891 -7.682 1.00 0.00 C ATOM 1231 CG LEU A 79 -0.634 -11.822 -7.005 1.00 0.00 C ATOM 1232 CD1 LEU A 79 -0.457 -12.116 -5.518 1.00 0.00 C ATOM 1233 CD2 LEU A 79 0.749 -11.726 -7.664 1.00 0.00 C ATOM 0 H LEU A 79 -3.896 -12.397 -8.182 1.00 0.00 H new ATOM 0 HA LEU A 79 -1.492 -11.471 -9.294 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -2.365 -13.121 -7.048 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -0.939 -13.814 -7.795 1.00 0.00 H new ATOM 0 HG LEU A 79 -1.151 -10.870 -7.126 1.00 0.00 H new ATOM 0 HD11 LEU A 79 0.165 -11.344 -5.066 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -1.432 -12.128 -5.031 1.00 0.00 H new ATOM 0 HD13 LEU A 79 0.022 -13.087 -5.394 1.00 0.00 H new ATOM 0 HD21 LEU A 79 1.340 -10.961 -7.160 1.00 0.00 H new ATOM 0 HD22 LEU A 79 1.257 -12.687 -7.585 1.00 0.00 H new ATOM 0 HD23 LEU A 79 0.634 -11.462 -8.715 1.00 0.00 H new ATOM 1245 N SER A 80 -2.503 -14.392 -10.412 1.00 0.00 N ATOM 1246 CA SER A 80 -2.302 -15.334 -11.500 1.00 0.00 C ATOM 1247 C SER A 80 -2.309 -14.602 -12.844 1.00 0.00 C ATOM 1248 O SER A 80 -1.451 -14.858 -13.686 1.00 0.00 O ATOM 1249 CB SER A 80 -3.371 -16.424 -11.447 1.00 0.00 C ATOM 1250 OG SER A 80 -3.233 -17.180 -10.257 1.00 0.00 O ATOM 0 H SER A 80 -3.362 -14.543 -9.882 1.00 0.00 H new ATOM 0 HA SER A 80 -1.328 -15.811 -11.391 1.00 0.00 H new ATOM 0 HB2 SER A 80 -4.363 -15.974 -11.489 1.00 0.00 H new ATOM 0 HB3 SER A 80 -3.280 -17.077 -12.315 1.00 0.00 H new ATOM 0 HG SER A 80 -3.686 -16.717 -9.521 1.00 0.00 H new ATOM 1256 N MET A 81 -3.218 -13.643 -13.031 1.00 0.00 N ATOM 1257 CA MET A 81 -3.294 -12.841 -14.243 1.00 0.00 C ATOM 1258 C MET A 81 -2.041 -11.976 -14.377 1.00 0.00 C ATOM 1259 O MET A 81 -1.491 -11.829 -15.470 1.00 0.00 O ATOM 1260 CB MET A 81 -4.555 -11.959 -14.205 1.00 0.00 C ATOM 1261 CG MET A 81 -5.052 -11.667 -15.620 1.00 0.00 C ATOM 1262 SD MET A 81 -5.837 -13.111 -16.389 1.00 0.00 S ATOM 1263 CE MET A 81 -5.885 -12.549 -18.105 1.00 0.00 C ATOM 0 H MET A 81 -3.926 -13.403 -12.337 1.00 0.00 H new ATOM 0 HA MET A 81 -3.353 -13.502 -15.108 1.00 0.00 H new ATOM 0 HB2 MET A 81 -5.338 -12.459 -13.635 1.00 0.00 H new ATOM 0 HB3 MET A 81 -4.335 -11.023 -13.691 1.00 0.00 H new ATOM 0 HG2 MET A 81 -5.765 -10.843 -15.589 1.00 0.00 H new ATOM 0 HG3 MET A 81 -4.214 -11.341 -16.236 1.00 0.00 H new ATOM 0 HE1 MET A 81 -6.341 -13.319 -18.727 1.00 0.00 H new ATOM 0 HE2 MET A 81 -6.473 -11.633 -18.172 1.00 0.00 H new ATOM 0 HE3 MET A 81 -4.870 -12.355 -18.453 1.00 0.00 H new ATOM 1273 N LEU A 82 -1.579 -11.413 -13.263 1.00 0.00 N ATOM 1274 CA LEU A 82 -0.411 -10.548 -13.185 1.00 0.00 C ATOM 1275 C LEU A 82 0.833 -11.296 -13.638 1.00 0.00 C ATOM 1276 O LEU A 82 1.556 -10.817 -14.509 1.00 0.00 O ATOM 1277 CB LEU A 82 -0.270 -10.052 -11.743 1.00 0.00 C ATOM 1278 CG LEU A 82 0.959 -9.183 -11.430 1.00 0.00 C ATOM 1279 CD1 LEU A 82 1.182 -8.014 -12.397 1.00 0.00 C ATOM 1280 CD2 LEU A 82 0.772 -8.637 -10.009 1.00 0.00 C ATOM 0 H LEU A 82 -2.027 -11.554 -12.357 1.00 0.00 H new ATOM 0 HA LEU A 82 -0.532 -9.691 -13.848 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -1.164 -9.481 -11.490 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -0.250 -10.920 -11.085 1.00 0.00 H new ATOM 0 HG LEU A 82 1.842 -9.813 -11.535 1.00 0.00 H new ATOM 0 HD11 LEU A 82 2.070 -7.458 -12.097 1.00 0.00 H new ATOM 0 HD12 LEU A 82 1.318 -8.399 -13.408 1.00 0.00 H new ATOM 0 HD13 LEU A 82 0.316 -7.353 -12.374 1.00 0.00 H new ATOM 0 HD21 LEU A 82 1.625 -8.012 -9.744 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -0.141 -8.043 -9.965 1.00 0.00 H new ATOM 0 HD23 LEU A 82 0.699 -9.467 -9.307 1.00 0.00 H new ATOM 1292 N LYS A 83 1.088 -12.461 -13.041 1.00 0.00 N ATOM 1293 CA LYS A 83 2.269 -13.269 -13.340 1.00 0.00 C ATOM 1294 C LYS A 83 2.079 -14.060 -14.642 1.00 0.00 C ATOM 1295 O LYS A 83 3.037 -14.623 -15.166 1.00 0.00 O ATOM 1296 CB LYS A 83 2.521 -14.206 -12.148 1.00 0.00 C ATOM 1297 CG LYS A 83 4.000 -14.544 -11.904 1.00 0.00 C ATOM 1298 CD LYS A 83 4.690 -13.434 -11.086 1.00 0.00 C ATOM 1299 CE LYS A 83 6.119 -13.813 -10.680 1.00 0.00 C ATOM 1300 NZ LYS A 83 7.064 -13.715 -11.809 1.00 0.00 N ATOM 0 H LYS A 83 0.478 -12.872 -12.334 1.00 0.00 H new ATOM 0 HA LYS A 83 3.135 -12.624 -13.489 1.00 0.00 H new ATOM 0 HB2 LYS A 83 2.113 -13.746 -11.248 1.00 0.00 H new ATOM 0 HB3 LYS A 83 1.971 -15.133 -12.309 1.00 0.00 H new ATOM 0 HG2 LYS A 83 4.078 -15.493 -11.374 1.00 0.00 H new ATOM 0 HG3 LYS A 83 4.511 -14.669 -12.859 1.00 0.00 H new ATOM 0 HD2 LYS A 83 4.713 -12.515 -11.672 1.00 0.00 H new ATOM 0 HD3 LYS A 83 4.103 -13.227 -10.191 1.00 0.00 H new ATOM 0 HE2 LYS A 83 6.451 -13.160 -9.873 1.00 0.00 H new ATOM 0 HE3 LYS A 83 6.126 -14.831 -10.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 8.017 -13.980 -11.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 6.764 -14.357 -12.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 7.078 -12.738 -12.166 1.00 0.00 H new ATOM 1314 N GLY A 84 0.846 -14.145 -15.150 1.00 0.00 N ATOM 1315 CA GLY A 84 0.473 -14.947 -16.305 1.00 0.00 C ATOM 1316 C GLY A 84 0.521 -16.453 -16.034 1.00 0.00 C ATOM 1317 O GLY A 84 0.315 -17.246 -16.959 1.00 0.00 O ATOM 0 H GLY A 84 0.057 -13.637 -14.750 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -0.534 -14.673 -16.620 1.00 0.00 H new ATOM 0 HA3 GLY A 84 1.141 -14.712 -17.134 1.00 0.00 H new ATOM 1321 N SER A 85 0.770 -16.872 -14.790 1.00 0.00 N ATOM 1322 CA SER A 85 0.975 -18.260 -14.424 1.00 0.00 C ATOM 1323 C SER A 85 0.310 -18.589 -13.089 1.00 0.00 C ATOM 1324 O SER A 85 -0.475 -17.804 -12.552 1.00 0.00 O ATOM 1325 CB SER A 85 2.482 -18.545 -14.446 1.00 0.00 C ATOM 1326 OG SER A 85 2.706 -19.936 -14.537 1.00 0.00 O ATOM 0 H SER A 85 0.834 -16.234 -13.997 1.00 0.00 H new ATOM 0 HA SER A 85 0.493 -18.920 -15.145 1.00 0.00 H new ATOM 0 HB2 SER A 85 2.945 -18.037 -15.292 1.00 0.00 H new ATOM 0 HB3 SER A 85 2.949 -18.151 -13.543 1.00 0.00 H new ATOM 0 HG SER A 85 3.670 -20.112 -14.552 1.00 0.00 H new ATOM 1332 N THR A 86 0.537 -19.798 -12.591 1.00 0.00 N ATOM 1333 CA THR A 86 -0.074 -20.321 -11.384 1.00 0.00 C ATOM 1334 C THR A 86 0.794 -19.865 -10.205 1.00 0.00 C ATOM 1335 O THR A 86 1.827 -20.464 -9.893 1.00 0.00 O ATOM 1336 CB THR A 86 -0.162 -21.845 -11.540 1.00 0.00 C ATOM 1337 OG1 THR A 86 -0.738 -22.182 -12.797 1.00 0.00 O ATOM 1338 CG2 THR A 86 -0.959 -22.534 -10.433 1.00 0.00 C ATOM 0 H THR A 86 1.173 -20.461 -13.034 1.00 0.00 H new ATOM 0 HA THR A 86 -1.085 -19.956 -11.205 1.00 0.00 H new ATOM 0 HB THR A 86 0.864 -22.206 -11.472 1.00 0.00 H new ATOM 0 HG1 THR A 86 -0.786 -23.157 -12.884 1.00 0.00 H new ATOM 0 HG21 THR A 86 -0.977 -23.609 -10.612 1.00 0.00 H new ATOM 0 HG22 THR A 86 -0.490 -22.335 -9.469 1.00 0.00 H new ATOM 0 HG23 THR A 86 -1.979 -22.151 -10.427 1.00 0.00 H new ATOM 1346 N VAL A 87 0.363 -18.793 -9.553 1.00 0.00 N ATOM 1347 CA VAL A 87 1.032 -18.166 -8.416 1.00 0.00 C ATOM 1348 C VAL A 87 0.534 -18.818 -7.139 1.00 0.00 C ATOM 1349 O VAL A 87 -0.675 -18.963 -6.943 1.00 0.00 O ATOM 1350 CB VAL A 87 0.710 -16.659 -8.408 1.00 0.00 C ATOM 1351 CG1 VAL A 87 1.241 -15.966 -7.146 1.00 0.00 C ATOM 1352 CG2 VAL A 87 1.335 -15.981 -9.628 1.00 0.00 C ATOM 0 H VAL A 87 -0.500 -18.314 -9.812 1.00 0.00 H new ATOM 0 HA VAL A 87 2.112 -18.295 -8.490 1.00 0.00 H new ATOM 0 HB VAL A 87 -0.376 -16.566 -8.430 1.00 0.00 H new ATOM 0 HG11 VAL A 87 0.992 -14.905 -7.181 1.00 0.00 H new ATOM 0 HG12 VAL A 87 0.785 -16.416 -6.264 1.00 0.00 H new ATOM 0 HG13 VAL A 87 2.323 -16.083 -7.095 1.00 0.00 H new ATOM 0 HG21 VAL A 87 1.101 -14.916 -9.612 1.00 0.00 H new ATOM 0 HG22 VAL A 87 2.416 -16.115 -9.605 1.00 0.00 H new ATOM 0 HG23 VAL A 87 0.933 -16.427 -10.538 1.00 0.00 H new ATOM 1362 N GLU A 88 1.466 -19.166 -6.257 1.00 0.00 N ATOM 1363 CA GLU A 88 1.156 -19.673 -4.938 1.00 0.00 C ATOM 1364 C GLU A 88 0.924 -18.442 -4.070 1.00 0.00 C ATOM 1365 O GLU A 88 1.852 -17.915 -3.452 1.00 0.00 O ATOM 1366 CB GLU A 88 2.311 -20.565 -4.466 1.00 0.00 C ATOM 1367 CG GLU A 88 2.087 -22.030 -4.842 1.00 0.00 C ATOM 1368 CD GLU A 88 1.237 -22.696 -3.762 1.00 0.00 C ATOM 1369 OE1 GLU A 88 0.004 -22.490 -3.725 1.00 0.00 O ATOM 1370 OE2 GLU A 88 1.822 -23.358 -2.873 1.00 0.00 O ATOM 0 H GLU A 88 2.466 -19.101 -6.447 1.00 0.00 H new ATOM 0 HA GLU A 88 0.267 -20.302 -4.900 1.00 0.00 H new ATOM 0 HB2 GLU A 88 3.244 -20.215 -4.907 1.00 0.00 H new ATOM 0 HB3 GLU A 88 2.418 -20.479 -3.385 1.00 0.00 H new ATOM 0 HG2 GLU A 88 1.589 -22.099 -5.809 1.00 0.00 H new ATOM 0 HG3 GLU A 88 3.043 -22.544 -4.939 1.00 0.00 H new ATOM 1377 N LEU A 89 -0.311 -17.938 -4.088 1.00 0.00 N ATOM 1378 CA LEU A 89 -0.689 -16.768 -3.313 1.00 0.00 C ATOM 1379 C LEU A 89 -1.151 -17.219 -1.943 1.00 0.00 C ATOM 1380 O LEU A 89 -2.173 -17.898 -1.828 1.00 0.00 O ATOM 1381 CB LEU A 89 -1.762 -15.926 -4.014 1.00 0.00 C ATOM 1382 CG LEU A 89 -2.412 -14.884 -3.072 1.00 0.00 C ATOM 1383 CD1 LEU A 89 -1.500 -13.876 -2.377 1.00 0.00 C ATOM 1384 CD2 LEU A 89 -3.394 -14.041 -3.857 1.00 0.00 C ATOM 0 H LEU A 89 -1.072 -18.333 -4.641 1.00 0.00 H new ATOM 0 HA LEU A 89 0.182 -16.120 -3.213 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -1.316 -15.412 -4.865 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -2.535 -16.585 -4.409 1.00 0.00 H new ATOM 0 HG LEU A 89 -2.839 -15.515 -2.293 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -2.099 -13.214 -1.752 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -0.778 -14.406 -1.756 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -0.971 -13.287 -3.126 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -3.853 -13.306 -3.195 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -2.870 -13.527 -4.662 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -4.168 -14.682 -4.279 1.00 0.00 H new ATOM 1396 N THR A 90 -0.443 -16.778 -0.913 1.00 0.00 N ATOM 1397 CA THR A 90 -0.822 -17.003 0.471 1.00 0.00 C ATOM 1398 C THR A 90 -0.954 -15.633 1.140 1.00 0.00 C ATOM 1399 O THR A 90 -0.383 -14.652 0.667 1.00 0.00 O ATOM 1400 CB THR A 90 0.244 -17.890 1.130 1.00 0.00 C ATOM 1401 OG1 THR A 90 0.503 -19.033 0.330 1.00 0.00 O ATOM 1402 CG2 THR A 90 -0.146 -18.351 2.529 1.00 0.00 C ATOM 0 H THR A 90 0.422 -16.247 -1.018 1.00 0.00 H new ATOM 0 HA THR A 90 -1.776 -17.522 0.566 1.00 0.00 H new ATOM 0 HB THR A 90 1.138 -17.272 1.217 1.00 0.00 H new ATOM 0 HG1 THR A 90 1.186 -19.587 0.763 1.00 0.00 H new ATOM 0 HG21 THR A 90 0.648 -18.974 2.941 1.00 0.00 H new ATOM 0 HG22 THR A 90 -0.295 -17.482 3.170 1.00 0.00 H new ATOM 0 HG23 THR A 90 -1.070 -18.927 2.478 1.00 0.00 H new ATOM 1410 N ILE A 91 -1.700 -15.554 2.234 1.00 0.00 N ATOM 1411 CA ILE A 91 -1.819 -14.364 3.063 1.00 0.00 C ATOM 1412 C ILE A 91 -1.210 -14.816 4.390 1.00 0.00 C ATOM 1413 O ILE A 91 -1.518 -15.919 4.856 1.00 0.00 O ATOM 1414 CB ILE A 91 -3.281 -13.873 3.240 1.00 0.00 C ATOM 1415 CG1 ILE A 91 -4.186 -13.951 1.988 1.00 0.00 C ATOM 1416 CG2 ILE A 91 -3.266 -12.430 3.786 1.00 0.00 C ATOM 1417 CD1 ILE A 91 -3.828 -12.991 0.849 1.00 0.00 C ATOM 0 H ILE A 91 -2.254 -16.338 2.578 1.00 0.00 H new ATOM 0 HA ILE A 91 -1.321 -13.503 2.618 1.00 0.00 H new ATOM 0 HB ILE A 91 -3.733 -14.574 3.942 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -4.155 -14.970 1.603 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -5.214 -13.757 2.293 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -4.290 -12.078 3.913 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -2.754 -12.410 4.748 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -2.744 -11.781 3.083 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -4.526 -13.130 0.023 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -3.889 -11.963 1.207 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -2.814 -13.196 0.506 1.00 0.00 H new ATOM 1429 N VAL A 92 -0.323 -14.014 4.963 1.00 0.00 N ATOM 1430 CA VAL A 92 0.258 -14.236 6.289 1.00 0.00 C ATOM 1431 C VAL A 92 -0.004 -12.972 7.117 1.00 0.00 C ATOM 1432 O VAL A 92 -0.425 -11.962 6.548 1.00 0.00 O ATOM 1433 CB VAL A 92 1.742 -14.678 6.190 1.00 0.00 C ATOM 1434 CG1 VAL A 92 1.969 -15.721 5.084 1.00 0.00 C ATOM 1435 CG2 VAL A 92 2.735 -13.551 5.903 1.00 0.00 C ATOM 0 H VAL A 92 0.024 -13.168 4.511 1.00 0.00 H new ATOM 0 HA VAL A 92 -0.212 -15.071 6.808 1.00 0.00 H new ATOM 0 HB VAL A 92 1.930 -15.083 7.184 1.00 0.00 H new ATOM 0 HG11 VAL A 92 3.023 -15.998 5.055 1.00 0.00 H new ATOM 0 HG12 VAL A 92 1.367 -16.606 5.290 1.00 0.00 H new ATOM 0 HG13 VAL A 92 1.678 -15.300 4.122 1.00 0.00 H new ATOM 0 HG21 VAL A 92 3.744 -13.959 5.852 1.00 0.00 H new ATOM 0 HG22 VAL A 92 2.486 -13.080 4.952 1.00 0.00 H new ATOM 0 HG23 VAL A 92 2.683 -12.809 6.700 1.00 0.00 H new ATOM 1445 N GLU A 93 0.236 -12.983 8.429 1.00 0.00 N ATOM 1446 CA GLU A 93 -0.106 -11.869 9.304 1.00 0.00 C ATOM 1447 C GLU A 93 1.104 -11.495 10.157 1.00 0.00 C ATOM 1448 O GLU A 93 1.534 -12.269 11.017 1.00 0.00 O ATOM 1449 CB GLU A 93 -1.358 -12.202 10.132 1.00 0.00 C ATOM 1450 CG GLU A 93 -2.657 -12.141 9.304 1.00 0.00 C ATOM 1451 CD GLU A 93 -3.379 -13.485 9.177 1.00 0.00 C ATOM 1452 OE1 GLU A 93 -2.792 -14.489 8.712 1.00 0.00 O ATOM 1453 OE2 GLU A 93 -4.593 -13.528 9.502 1.00 0.00 O ATOM 0 H GLU A 93 0.674 -13.767 8.912 1.00 0.00 H new ATOM 0 HA GLU A 93 -0.360 -10.990 8.711 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -1.251 -13.199 10.558 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -1.432 -11.505 10.967 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -3.333 -11.419 9.761 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -2.422 -11.771 8.306 1.00 0.00 H new ATOM 1460 N ASP A 94 1.692 -10.328 9.892 1.00 0.00 N ATOM 1461 CA ASP A 94 2.817 -9.763 10.626 1.00 0.00 C ATOM 1462 C ASP A 94 2.603 -8.260 10.754 1.00 0.00 C ATOM 1463 O ASP A 94 2.401 -7.576 9.750 1.00 0.00 O ATOM 1464 CB ASP A 94 4.125 -10.077 9.897 1.00 0.00 C ATOM 1465 CG ASP A 94 5.347 -9.848 10.784 1.00 0.00 C ATOM 1466 OD1 ASP A 94 5.301 -9.044 11.740 1.00 0.00 O ATOM 1467 OD2 ASP A 94 6.356 -10.543 10.522 1.00 0.00 O ATOM 0 H ASP A 94 1.382 -9.728 9.127 1.00 0.00 H new ATOM 0 HA ASP A 94 2.881 -10.201 11.622 1.00 0.00 H new ATOM 0 HB2 ASP A 94 4.112 -11.113 9.560 1.00 0.00 H new ATOM 0 HB3 ASP A 94 4.202 -9.453 9.007 1.00 0.00 H new ATOM 1472 N ASP A 95 2.577 -7.742 11.982 1.00 0.00 N ATOM 1473 CA ASP A 95 2.288 -6.339 12.257 1.00 0.00 C ATOM 1474 C ASP A 95 3.352 -5.427 11.667 1.00 0.00 C ATOM 1475 O ASP A 95 3.004 -4.482 10.967 1.00 0.00 O ATOM 1476 CB ASP A 95 2.158 -6.066 13.761 1.00 0.00 C ATOM 1477 CG ASP A 95 0.783 -6.414 14.295 1.00 0.00 C ATOM 1478 OD1 ASP A 95 -0.216 -5.901 13.745 1.00 0.00 O ATOM 1479 OD2 ASP A 95 0.700 -7.236 15.241 1.00 0.00 O ATOM 0 H ASP A 95 2.758 -8.293 12.821 1.00 0.00 H new ATOM 0 HA ASP A 95 1.331 -6.122 11.782 1.00 0.00 H new ATOM 0 HB2 ASP A 95 2.910 -6.643 14.299 1.00 0.00 H new ATOM 0 HB3 ASP A 95 2.365 -5.014 13.956 1.00 0.00 H new ATOM 1522 N VAL A 99 9.005 -4.121 6.426 1.00 0.00 N ATOM 1523 CA VAL A 99 8.533 -3.695 5.117 1.00 0.00 C ATOM 1524 C VAL A 99 7.254 -2.885 5.312 1.00 0.00 C ATOM 1525 O VAL A 99 6.401 -3.248 6.129 1.00 0.00 O ATOM 1526 CB VAL A 99 8.309 -4.953 4.251 1.00 0.00 C ATOM 1527 CG1 VAL A 99 8.037 -4.634 2.778 1.00 0.00 C ATOM 1528 CG2 VAL A 99 9.489 -5.943 4.306 1.00 0.00 C ATOM 0 HA VAL A 99 9.257 -3.061 4.605 1.00 0.00 H new ATOM 0 HB VAL A 99 7.424 -5.413 4.692 1.00 0.00 H new ATOM 0 HG11 VAL A 99 7.889 -5.562 2.226 1.00 0.00 H new ATOM 0 HG12 VAL A 99 7.142 -4.018 2.699 1.00 0.00 H new ATOM 0 HG13 VAL A 99 8.887 -4.095 2.360 1.00 0.00 H new ATOM 0 HG21 VAL A 99 9.270 -6.806 3.677 1.00 0.00 H new ATOM 0 HG22 VAL A 99 10.393 -5.452 3.946 1.00 0.00 H new ATOM 0 HG23 VAL A 99 9.640 -6.273 5.334 1.00 0.00 H new ATOM 1538 N ARG A 100 7.136 -1.776 4.582 1.00 0.00 N ATOM 1539 CA ARG A 100 5.929 -0.960 4.551 1.00 0.00 C ATOM 1540 C ARG A 100 4.964 -1.584 3.548 1.00 0.00 C ATOM 1541 O ARG A 100 5.383 -2.051 2.490 1.00 0.00 O ATOM 1542 CB ARG A 100 6.259 0.471 4.085 1.00 0.00 C ATOM 1543 CG ARG A 100 6.830 1.402 5.172 1.00 0.00 C ATOM 1544 CD ARG A 100 8.297 1.800 4.945 1.00 0.00 C ATOM 1545 NE ARG A 100 9.243 0.762 5.389 1.00 0.00 N ATOM 1546 CZ ARG A 100 10.577 0.868 5.400 1.00 0.00 C ATOM 1547 NH1 ARG A 100 11.172 2.002 5.028 1.00 0.00 N ATOM 1548 NH2 ARG A 100 11.313 -0.168 5.789 1.00 0.00 N ATOM 0 H ARG A 100 7.886 -1.418 3.990 1.00 0.00 H new ATOM 0 HA ARG A 100 5.493 -0.917 5.549 1.00 0.00 H new ATOM 0 HB2 ARG A 100 6.976 0.413 3.266 1.00 0.00 H new ATOM 0 HB3 ARG A 100 5.352 0.923 3.683 1.00 0.00 H new ATOM 0 HG2 ARG A 100 6.222 2.305 5.218 1.00 0.00 H new ATOM 0 HG3 ARG A 100 6.743 0.909 6.140 1.00 0.00 H new ATOM 0 HD2 ARG A 100 8.455 2.000 3.885 1.00 0.00 H new ATOM 0 HD3 ARG A 100 8.504 2.727 5.479 1.00 0.00 H new ATOM 0 HE ARG A 100 8.845 -0.118 5.718 1.00 0.00 H new ATOM 0 HH11 ARG A 100 10.610 2.800 4.731 1.00 0.00 H new ATOM 0 HH12 ARG A 100 12.190 2.072 5.040 1.00 0.00 H new ATOM 0 HH21 ARG A 100 10.861 -1.036 6.076 1.00 0.00 H new ATOM 0 HH22 ARG A 100 12.330 -0.095 5.800 1.00 0.00 H new ATOM 1562 N THR A 101 3.677 -1.604 3.877 1.00 0.00 N ATOM 1563 CA THR A 101 2.637 -2.038 2.952 1.00 0.00 C ATOM 1564 C THR A 101 2.423 -0.860 1.982 1.00 0.00 C ATOM 1565 O THR A 101 2.852 0.255 2.290 1.00 0.00 O ATOM 1566 CB THR A 101 1.374 -2.379 3.765 1.00 0.00 C ATOM 1567 OG1 THR A 101 0.879 -1.220 4.410 1.00 0.00 O ATOM 1568 CG2 THR A 101 1.644 -3.427 4.853 1.00 0.00 C ATOM 0 H THR A 101 3.326 -1.320 4.792 1.00 0.00 H new ATOM 0 HA THR A 101 2.898 -2.932 2.386 1.00 0.00 H new ATOM 0 HB THR A 101 0.651 -2.778 3.053 1.00 0.00 H new ATOM 0 HG1 THR A 101 0.075 -1.449 4.922 1.00 0.00 H new ATOM 0 HG21 THR A 101 0.722 -3.632 5.397 1.00 0.00 H new ATOM 0 HG22 THR A 101 2.005 -4.346 4.391 1.00 0.00 H new ATOM 0 HG23 THR A 101 2.397 -3.048 5.544 1.00 0.00 H new ATOM 1576 N PRO A 102 1.729 -0.987 0.844 1.00 0.00 N ATOM 1577 CA PRO A 102 1.440 0.174 0.015 1.00 0.00 C ATOM 1578 C PRO A 102 0.436 1.112 0.718 1.00 0.00 C ATOM 1579 O PRO A 102 0.431 2.316 0.450 1.00 0.00 O ATOM 1580 CB PRO A 102 0.981 -0.390 -1.321 1.00 0.00 C ATOM 1581 CG PRO A 102 0.297 -1.669 -0.887 1.00 0.00 C ATOM 1582 CD PRO A 102 1.160 -2.180 0.261 1.00 0.00 C ATOM 0 HA PRO A 102 2.304 0.817 -0.153 1.00 0.00 H new ATOM 0 HB2 PRO A 102 0.299 0.285 -1.839 1.00 0.00 H new ATOM 0 HB3 PRO A 102 1.816 -0.579 -1.995 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -0.727 -1.484 -0.564 1.00 0.00 H new ATOM 0 HG3 PRO A 102 0.248 -2.392 -1.702 1.00 0.00 H new ATOM 0 HD2 PRO A 102 0.566 -2.733 0.989 1.00 0.00 H new ATOM 0 HD3 PRO A 102 1.936 -2.856 -0.097 1.00 0.00 H new ATOM 1590 N LEU A 103 -0.393 0.599 1.648 1.00 0.00 N ATOM 1591 CA LEU A 103 -1.272 1.444 2.457 1.00 0.00 C ATOM 1592 C LEU A 103 -0.391 2.371 3.300 1.00 0.00 C ATOM 1593 O LEU A 103 -0.699 3.562 3.414 1.00 0.00 O ATOM 1594 CB LEU A 103 -2.187 0.609 3.373 1.00 0.00 C ATOM 1595 CG LEU A 103 -3.242 1.467 4.104 1.00 0.00 C ATOM 1596 CD1 LEU A 103 -4.504 1.615 3.244 1.00 0.00 C ATOM 1597 CD2 LEU A 103 -3.597 0.865 5.465 1.00 0.00 C ATOM 0 H LEU A 103 -0.467 -0.398 1.852 1.00 0.00 H new ATOM 0 HA LEU A 103 -1.922 2.018 1.796 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -2.692 -0.152 2.778 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -1.577 0.085 4.109 1.00 0.00 H new ATOM 0 HG LEU A 103 -2.812 2.455 4.271 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -5.237 2.223 3.775 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -4.247 2.098 2.301 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -4.926 0.630 3.044 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -4.342 1.491 5.956 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -4.001 -0.138 5.325 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -2.702 0.813 6.084 1.00 0.00 H new ATOM 1609 N GLU A 104 0.688 1.825 3.877 1.00 0.00 N ATOM 1610 CA GLU A 104 1.693 2.587 4.599 1.00 0.00 C ATOM 1611 C GLU A 104 2.432 3.501 3.642 1.00 0.00 C ATOM 1612 O GLU A 104 2.593 4.661 3.976 1.00 0.00 O ATOM 1613 CB GLU A 104 2.726 1.685 5.295 1.00 0.00 C ATOM 1614 CG GLU A 104 2.202 1.033 6.568 1.00 0.00 C ATOM 1615 CD GLU A 104 1.817 2.069 7.618 1.00 0.00 C ATOM 1616 OE1 GLU A 104 2.645 2.955 7.924 1.00 0.00 O ATOM 1617 OE2 GLU A 104 0.712 1.917 8.191 1.00 0.00 O ATOM 0 H GLU A 104 0.882 0.824 3.850 1.00 0.00 H new ATOM 0 HA GLU A 104 1.165 3.160 5.361 1.00 0.00 H new ATOM 0 HB2 GLU A 104 3.043 0.906 4.601 1.00 0.00 H new ATOM 0 HB3 GLU A 104 3.609 2.276 5.536 1.00 0.00 H new ATOM 0 HG2 GLU A 104 1.335 0.417 6.330 1.00 0.00 H new ATOM 0 HG3 GLU A 104 2.963 0.368 6.976 1.00 0.00 H new ATOM 1624 N TRP A 105 2.880 3.038 2.473 1.00 0.00 N ATOM 1625 CA TRP A 105 3.697 3.848 1.578 1.00 0.00 C ATOM 1626 C TRP A 105 2.991 5.147 1.191 1.00 0.00 C ATOM 1627 O TRP A 105 3.640 6.186 1.196 1.00 0.00 O ATOM 1628 CB TRP A 105 4.137 3.067 0.340 1.00 0.00 C ATOM 1629 CG TRP A 105 5.319 2.160 0.516 1.00 0.00 C ATOM 1630 CD1 TRP A 105 5.332 0.807 0.471 1.00 0.00 C ATOM 1631 CD2 TRP A 105 6.707 2.554 0.722 1.00 0.00 C ATOM 1632 NE1 TRP A 105 6.621 0.340 0.609 1.00 0.00 N ATOM 1633 CE2 TRP A 105 7.511 1.380 0.774 1.00 0.00 C ATOM 1634 CE3 TRP A 105 7.368 3.794 0.846 1.00 0.00 C ATOM 1635 CZ2 TRP A 105 8.901 1.435 0.933 1.00 0.00 C ATOM 1636 CZ3 TRP A 105 8.761 3.862 1.024 1.00 0.00 C ATOM 1637 CH2 TRP A 105 9.529 2.683 1.072 1.00 0.00 C ATOM 0 H TRP A 105 2.687 2.099 2.126 1.00 0.00 H new ATOM 0 HA TRP A 105 4.599 4.114 2.129 1.00 0.00 H new ATOM 0 HB2 TRP A 105 3.294 2.468 -0.005 1.00 0.00 H new ATOM 0 HB3 TRP A 105 4.367 3.780 -0.452 1.00 0.00 H new ATOM 0 HD1 TRP A 105 4.459 0.184 0.345 1.00 0.00 H new ATOM 0 HE1 TRP A 105 6.882 -0.646 0.591 1.00 0.00 H new ATOM 0 HE3 TRP A 105 6.794 4.708 0.803 1.00 0.00 H new ATOM 0 HZ2 TRP A 105 9.484 0.526 0.949 1.00 0.00 H new ATOM 0 HZ3 TRP A 105 9.244 4.823 1.124 1.00 0.00 H new ATOM 0 HH2 TRP A 105 10.598 2.738 1.215 1.00 0.00 H new ATOM 1648 N ARG A 106 1.677 5.150 0.941 1.00 0.00 N ATOM 1649 CA ARG A 106 0.955 6.409 0.679 1.00 0.00 C ATOM 1650 C ARG A 106 1.098 7.392 1.846 1.00 0.00 C ATOM 1651 O ARG A 106 1.145 8.601 1.642 1.00 0.00 O ATOM 1652 CB ARG A 106 -0.526 6.114 0.410 1.00 0.00 C ATOM 1653 CG ARG A 106 -1.290 7.313 -0.191 1.00 0.00 C ATOM 1654 CD ARG A 106 -2.814 7.130 -0.318 1.00 0.00 C ATOM 1655 NE ARG A 106 -3.226 6.455 -1.562 1.00 0.00 N ATOM 1656 CZ ARG A 106 -3.294 5.132 -1.776 1.00 0.00 C ATOM 1657 NH1 ARG A 106 -3.041 4.255 -0.809 1.00 0.00 N ATOM 1658 NH2 ARG A 106 -3.611 4.668 -2.975 1.00 0.00 N ATOM 0 H ARG A 106 1.096 4.312 0.914 1.00 0.00 H new ATOM 0 HA ARG A 106 1.396 6.876 -0.202 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -0.602 5.266 -0.271 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -1.005 5.818 1.343 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -1.097 8.191 0.426 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -0.883 7.522 -1.180 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -3.175 6.554 0.534 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -3.294 8.107 -0.269 1.00 0.00 H new ATOM 0 HE ARG A 106 -3.487 7.057 -2.343 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -2.788 4.583 0.123 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -3.100 3.255 -0.999 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -3.804 5.317 -3.738 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -3.662 3.662 -3.135 1.00 0.00 H new ATOM 1672 N GLN A 107 1.108 6.893 3.075 1.00 0.00 N ATOM 1673 CA GLN A 107 1.336 7.699 4.272 1.00 0.00 C ATOM 1674 C GLN A 107 2.814 8.068 4.407 1.00 0.00 C ATOM 1675 O GLN A 107 3.126 9.222 4.688 1.00 0.00 O ATOM 1676 CB GLN A 107 0.826 6.925 5.496 1.00 0.00 C ATOM 1677 CG GLN A 107 0.757 7.763 6.777 1.00 0.00 C ATOM 1678 CD GLN A 107 0.284 6.897 7.941 1.00 0.00 C ATOM 1679 OE1 GLN A 107 -0.700 6.170 7.836 1.00 0.00 O ATOM 1680 NE2 GLN A 107 0.963 6.914 9.066 1.00 0.00 N ATOM 0 H GLN A 107 0.956 5.904 3.274 1.00 0.00 H new ATOM 0 HA GLN A 107 0.785 8.637 4.196 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -0.167 6.532 5.277 1.00 0.00 H new ATOM 0 HB3 GLN A 107 1.477 6.068 5.669 1.00 0.00 H new ATOM 0 HG2 GLN A 107 1.738 8.183 7.000 1.00 0.00 H new ATOM 0 HG3 GLN A 107 0.076 8.602 6.637 1.00 0.00 H new ATOM 0 HE21 GLN A 107 1.781 7.516 9.159 1.00 0.00 H new ATOM 0 HE22 GLN A 107 0.672 6.325 9.846 1.00 0.00 H new ATOM 1689 N ALA A 108 3.725 7.121 4.190 1.00 0.00 N ATOM 1690 CA ALA A 108 5.156 7.314 4.312 1.00 0.00 C ATOM 1691 C ALA A 108 5.596 8.403 3.346 1.00 0.00 C ATOM 1692 O ALA A 108 6.337 9.282 3.743 1.00 0.00 O ATOM 1693 CB ALA A 108 5.906 6.003 4.052 1.00 0.00 C ATOM 0 H ALA A 108 3.473 6.171 3.916 1.00 0.00 H new ATOM 0 HA ALA A 108 5.395 7.626 5.329 1.00 0.00 H new ATOM 0 HB1 ALA A 108 6.978 6.172 4.149 1.00 0.00 H new ATOM 0 HB2 ALA A 108 5.590 5.253 4.777 1.00 0.00 H new ATOM 0 HB3 ALA A 108 5.684 5.650 3.045 1.00 0.00 H new ATOM 1699 N ILE A 109 5.112 8.396 2.108 1.00 0.00 N ATOM 1700 CA ILE A 109 5.470 9.348 1.056 1.00 0.00 C ATOM 1701 C ILE A 109 4.953 10.766 1.383 1.00 0.00 C ATOM 1702 O ILE A 109 5.424 11.744 0.804 1.00 0.00 O ATOM 1703 CB ILE A 109 4.959 8.772 -0.288 1.00 0.00 C ATOM 1704 CG1 ILE A 109 5.677 7.443 -0.657 1.00 0.00 C ATOM 1705 CG2 ILE A 109 5.026 9.754 -1.462 1.00 0.00 C ATOM 1706 CD1 ILE A 109 6.915 7.536 -1.556 1.00 0.00 C ATOM 0 H ILE A 109 4.433 7.701 1.796 1.00 0.00 H new ATOM 0 HA ILE A 109 6.550 9.472 0.981 1.00 0.00 H new ATOM 0 HB ILE A 109 3.901 8.572 -0.116 1.00 0.00 H new ATOM 0 HG12 ILE A 109 5.970 6.950 0.270 1.00 0.00 H new ATOM 0 HG13 ILE A 109 4.952 6.794 -1.148 1.00 0.00 H new ATOM 0 HG21 ILE A 109 4.650 9.270 -2.363 1.00 0.00 H new ATOM 0 HG22 ILE A 109 4.417 10.630 -1.239 1.00 0.00 H new ATOM 0 HG23 ILE A 109 6.060 10.062 -1.620 1.00 0.00 H new ATOM 0 HD11 ILE A 109 7.313 6.537 -1.732 1.00 0.00 H new ATOM 0 HD12 ILE A 109 6.640 7.990 -2.508 1.00 0.00 H new ATOM 0 HD13 ILE A 109 7.674 8.148 -1.068 1.00 0.00 H new ATOM 1718 N TYR A 110 3.990 10.909 2.295 1.00 0.00 N ATOM 1719 CA TYR A 110 3.528 12.208 2.778 1.00 0.00 C ATOM 1720 C TYR A 110 4.461 12.639 3.909 1.00 0.00 C ATOM 1721 O TYR A 110 5.037 13.724 3.897 1.00 0.00 O ATOM 1722 CB TYR A 110 2.092 12.075 3.289 1.00 0.00 C ATOM 1723 CG TYR A 110 1.566 13.298 4.008 1.00 0.00 C ATOM 1724 CD1 TYR A 110 1.004 14.360 3.278 1.00 0.00 C ATOM 1725 CD2 TYR A 110 1.642 13.369 5.414 1.00 0.00 C ATOM 1726 CE1 TYR A 110 0.498 15.486 3.951 1.00 0.00 C ATOM 1727 CE2 TYR A 110 1.127 14.486 6.090 1.00 0.00 C ATOM 1728 CZ TYR A 110 0.565 15.552 5.359 1.00 0.00 C ATOM 1729 OH TYR A 110 0.012 16.596 6.031 1.00 0.00 O ATOM 0 H TYR A 110 3.506 10.119 2.722 1.00 0.00 H new ATOM 0 HA TYR A 110 3.541 12.952 1.981 1.00 0.00 H new ATOM 0 HB2 TYR A 110 1.438 11.856 2.445 1.00 0.00 H new ATOM 0 HB3 TYR A 110 2.038 11.221 3.964 1.00 0.00 H new ATOM 0 HD1 TYR A 110 0.961 14.311 2.200 1.00 0.00 H new ATOM 0 HD2 TYR A 110 2.097 12.563 5.971 1.00 0.00 H new ATOM 0 HE1 TYR A 110 0.059 16.299 3.391 1.00 0.00 H new ATOM 0 HE2 TYR A 110 1.161 14.529 7.169 1.00 0.00 H new ATOM 0 HH TYR A 110 0.152 16.476 6.994 1.00 0.00 H new