USER MOD reduce.3.24.130724 H: found=0, std=0, add=727, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 728 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 57 GLN : amide:sc= 1.07 K(o=-0.025,f=-4.2) USER MOD Set 1.2: A 77 ASN : amide:sc= -2.02 K(o=-0.025,f=-2.9!) USER MOD Set 1.3: A 79 SER OG : rot -52:sc= 0.933 USER MOD Single : A 20 GLN : amide:sc= -0.132 X(o=-0.13,f=0) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= -0.0232 X(o=-0.023,f=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= -1.68! USER MOD Single : A 47 GLN : amide:sc= -0.293 K(o=-0.29,f=-3!) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 CYS SG : rot -30:sc= -11.9! USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 ASN :FLIP amide:sc= -3.62! C(o=-5.2!,f=-3.6!) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 GLN : amide:sc= -2.64 K(o=-2.6,f=-8.8!) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 GLN : amide:sc= -0.0946 K(o=-0.095,f=-1.4!) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 SER OG : rot 180:sc= -0.131 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD Single : A 104 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 107 TYR OH : rot -176:sc= 0.327 USER MOD Single : A 110 THR OG1 : rot 180:sc= 0 USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 203 N LEU A 17 -5.390 -6.529 -2.130 1.00 0.00 N ATOM 204 CA LEU A 17 -4.110 -5.893 -1.869 1.00 0.00 C ATOM 205 C LEU A 17 -4.063 -5.428 -0.412 1.00 0.00 C ATOM 206 O LEU A 17 -5.104 -5.239 0.216 1.00 0.00 O ATOM 207 CB LEU A 17 -3.851 -4.774 -2.880 1.00 0.00 C ATOM 208 CG LEU A 17 -3.647 -5.215 -4.331 1.00 0.00 C ATOM 209 CD1 LEU A 17 -4.367 -4.272 -5.297 1.00 0.00 C ATOM 210 CD2 LEU A 17 -2.159 -5.347 -4.660 1.00 0.00 C ATOM 0 HA LEU A 17 -3.297 -6.606 -2.003 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -4.691 -4.080 -2.847 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -2.967 -4.221 -2.562 1.00 0.00 H new ATOM 0 HG LEU A 17 -4.092 -6.202 -4.454 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -4.206 -4.608 -6.321 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -5.435 -4.273 -5.078 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -3.974 -3.262 -5.180 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -2.042 -5.662 -5.697 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -1.668 -4.385 -4.515 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -1.705 -6.089 -4.003 1.00 0.00 H new ATOM 222 N TRP A 18 -2.846 -5.258 0.082 1.00 0.00 N ATOM 223 CA TRP A 18 -2.651 -4.818 1.454 1.00 0.00 C ATOM 224 C TRP A 18 -1.186 -4.407 1.614 1.00 0.00 C ATOM 225 O TRP A 18 -0.374 -4.627 0.717 1.00 0.00 O ATOM 226 CB TRP A 18 -3.078 -5.904 2.443 1.00 0.00 C ATOM 227 CG TRP A 18 -2.370 -7.245 2.241 1.00 0.00 C ATOM 228 CD1 TRP A 18 -2.578 -8.150 1.275 1.00 0.00 C ATOM 229 CD2 TRP A 18 -1.324 -7.798 3.067 1.00 0.00 C ATOM 230 NE1 TRP A 18 -1.746 -9.242 1.417 1.00 0.00 N ATOM 231 CE2 TRP A 18 -0.959 -9.021 2.542 1.00 0.00 C ATOM 232 CE3 TRP A 18 -0.706 -7.282 4.219 1.00 0.00 C ATOM 233 CZ2 TRP A 18 0.036 -9.831 3.103 1.00 0.00 C ATOM 234 CZ3 TRP A 18 0.286 -8.103 4.769 1.00 0.00 C ATOM 235 CH2 TRP A 18 0.665 -9.337 4.252 1.00 0.00 C ATOM 0 H TRP A 18 -1.985 -5.417 -0.442 1.00 0.00 H new ATOM 0 HA TRP A 18 -3.281 -3.957 1.677 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -2.886 -5.553 3.457 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -4.154 -6.057 2.357 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -3.305 -8.039 0.484 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -1.714 -10.060 0.809 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -0.975 -6.327 4.646 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 0.304 -10.785 2.673 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 0.792 -7.753 5.657 1.00 0.00 H new ATOM 0 HH2 TRP A 18 1.441 -9.912 4.735 1.00 0.00 H new ATOM 246 N LEU A 19 -0.893 -3.816 2.763 1.00 0.00 N ATOM 247 CA LEU A 19 0.460 -3.371 3.053 1.00 0.00 C ATOM 248 C LEU A 19 1.024 -4.192 4.214 1.00 0.00 C ATOM 249 O LEU A 19 0.314 -4.482 5.176 1.00 0.00 O ATOM 250 CB LEU A 19 0.487 -1.861 3.296 1.00 0.00 C ATOM 251 CG LEU A 19 -0.285 -1.006 2.289 1.00 0.00 C ATOM 252 CD1 LEU A 19 -0.568 0.387 2.856 1.00 0.00 C ATOM 253 CD2 LEU A 19 0.449 -0.940 0.949 1.00 0.00 C ATOM 0 H LEU A 19 -1.570 -3.635 3.505 1.00 0.00 H new ATOM 0 HA LEU A 19 1.110 -3.543 2.195 1.00 0.00 H new ATOM 0 HB2 LEU A 19 0.087 -1.666 4.291 1.00 0.00 H new ATOM 0 HB3 LEU A 19 1.526 -1.532 3.301 1.00 0.00 H new ATOM 0 HG LEU A 19 -1.248 -1.481 2.105 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -1.118 0.974 2.121 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -1.162 0.296 3.765 1.00 0.00 H new ATOM 0 HD13 LEU A 19 0.374 0.884 3.087 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -0.121 -0.326 0.252 1.00 0.00 H new ATOM 0 HD22 LEU A 19 1.436 -0.501 1.096 1.00 0.00 H new ATOM 0 HD23 LEU A 19 0.556 -1.946 0.543 1.00 0.00 H new ATOM 265 N GLN A 20 2.295 -4.542 4.087 1.00 0.00 N ATOM 266 CA GLN A 20 2.963 -5.323 5.114 1.00 0.00 C ATOM 267 C GLN A 20 4.042 -4.484 5.802 1.00 0.00 C ATOM 268 O GLN A 20 5.105 -4.244 5.231 1.00 0.00 O ATOM 269 CB GLN A 20 3.556 -6.606 4.529 1.00 0.00 C ATOM 270 CG GLN A 20 4.207 -7.457 5.621 1.00 0.00 C ATOM 271 CD GLN A 20 4.486 -8.875 5.118 1.00 0.00 C ATOM 272 OE1 GLN A 20 5.367 -9.112 4.308 1.00 0.00 O ATOM 273 NE2 GLN A 20 3.688 -9.801 5.641 1.00 0.00 N ATOM 0 H GLN A 20 2.881 -4.299 3.288 1.00 0.00 H new ATOM 0 HA GLN A 20 2.224 -5.612 5.861 1.00 0.00 H new ATOM 0 HB2 GLN A 20 2.773 -7.180 4.034 1.00 0.00 H new ATOM 0 HB3 GLN A 20 4.296 -6.355 3.769 1.00 0.00 H new ATOM 0 HG2 GLN A 20 5.139 -6.992 5.943 1.00 0.00 H new ATOM 0 HG3 GLN A 20 3.554 -7.498 6.493 1.00 0.00 H new ATOM 0 HE21 GLN A 20 2.970 -9.534 6.315 1.00 0.00 H new ATOM 0 HE22 GLN A 20 3.794 -10.778 5.369 1.00 0.00 H new ATOM 349 N PRO A 27 -1.835 -3.179 12.618 1.00 0.00 N ATOM 350 CA PRO A 27 -2.283 -4.356 11.892 1.00 0.00 C ATOM 351 C PRO A 27 -2.200 -4.133 10.381 1.00 0.00 C ATOM 352 O PRO A 27 -1.908 -3.027 9.928 1.00 0.00 O ATOM 353 CB PRO A 27 -3.701 -4.603 12.380 1.00 0.00 C ATOM 354 CG PRO A 27 -4.160 -3.296 13.006 1.00 0.00 C ATOM 355 CD PRO A 27 -2.934 -2.419 13.206 1.00 0.00 C ATOM 0 HA PRO A 27 -1.656 -5.228 12.076 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -4.353 -4.891 11.556 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -3.728 -5.415 13.107 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -4.885 -2.798 12.362 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -4.656 -3.482 13.959 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -3.054 -1.453 12.716 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -2.757 -2.221 14.263 1.00 0.00 H new ATOM 363 N PRO A 28 -2.470 -5.229 9.622 1.00 0.00 N ATOM 364 CA PRO A 28 -2.429 -5.163 8.172 1.00 0.00 C ATOM 365 C PRO A 28 -3.658 -4.437 7.621 1.00 0.00 C ATOM 366 O PRO A 28 -4.791 -4.830 7.896 1.00 0.00 O ATOM 367 CB PRO A 28 -2.340 -6.610 7.715 1.00 0.00 C ATOM 368 CG PRO A 28 -2.801 -7.449 8.896 1.00 0.00 C ATOM 369 CD PRO A 28 -2.820 -6.555 10.124 1.00 0.00 C ATOM 0 HA PRO A 28 -1.580 -4.589 7.801 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -2.970 -6.784 6.843 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -1.320 -6.867 7.428 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -3.793 -7.860 8.708 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -2.129 -8.294 9.049 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -3.802 -6.553 10.597 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -2.106 -6.896 10.873 1.00 0.00 H new ATOM 377 N ILE A 29 -3.392 -3.391 6.853 1.00 0.00 N ATOM 378 CA ILE A 29 -4.462 -2.606 6.261 1.00 0.00 C ATOM 379 C ILE A 29 -4.748 -3.124 4.850 1.00 0.00 C ATOM 380 O ILE A 29 -3.828 -3.315 4.056 1.00 0.00 O ATOM 381 CB ILE A 29 -4.124 -1.115 6.311 1.00 0.00 C ATOM 382 CG1 ILE A 29 -4.033 -0.621 7.756 1.00 0.00 C ATOM 383 CG2 ILE A 29 -5.122 -0.298 5.488 1.00 0.00 C ATOM 384 CD1 ILE A 29 -2.591 -0.266 8.125 1.00 0.00 C ATOM 0 H ILE A 29 -2.451 -3.069 6.627 1.00 0.00 H new ATOM 0 HA ILE A 29 -5.381 -2.720 6.836 1.00 0.00 H new ATOM 0 HB ILE A 29 -3.142 -0.973 5.860 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -4.671 0.253 7.886 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -4.406 -1.391 8.431 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -4.858 0.758 5.541 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -5.093 -0.628 4.449 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -6.126 -0.442 5.887 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -2.555 0.082 9.157 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -1.960 -1.148 8.017 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -2.229 0.521 7.464 1.00 0.00 H new ATOM 396 N PHE A 30 -6.028 -3.337 4.580 1.00 0.00 N ATOM 397 CA PHE A 30 -6.447 -3.829 3.279 1.00 0.00 C ATOM 398 C PHE A 30 -7.000 -2.694 2.415 1.00 0.00 C ATOM 399 O PHE A 30 -8.069 -2.156 2.700 1.00 0.00 O ATOM 400 CB PHE A 30 -7.557 -4.854 3.525 1.00 0.00 C ATOM 401 CG PHE A 30 -7.047 -6.237 3.936 1.00 0.00 C ATOM 402 CD1 PHE A 30 -6.689 -7.140 2.985 1.00 0.00 C ATOM 403 CD2 PHE A 30 -6.952 -6.562 5.253 1.00 0.00 C ATOM 404 CE1 PHE A 30 -6.216 -8.423 3.367 1.00 0.00 C ATOM 405 CE2 PHE A 30 -6.479 -7.845 5.635 1.00 0.00 C ATOM 406 CZ PHE A 30 -6.121 -8.749 4.684 1.00 0.00 C ATOM 0 H PHE A 30 -6.789 -3.178 5.241 1.00 0.00 H new ATOM 0 HA PHE A 30 -5.597 -4.267 2.756 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -8.220 -4.476 4.303 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -8.154 -4.953 2.618 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -6.764 -6.881 1.939 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -7.236 -5.844 6.008 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -5.932 -9.140 2.611 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -6.403 -8.103 6.681 1.00 0.00 H new ATOM 0 HZ PHE A 30 -5.762 -9.725 4.974 1.00 0.00 H new ATOM 416 N LEU A 31 -6.246 -2.363 1.377 1.00 0.00 N ATOM 417 CA LEU A 31 -6.647 -1.301 0.470 1.00 0.00 C ATOM 418 C LEU A 31 -7.978 -1.672 -0.187 1.00 0.00 C ATOM 419 O LEU A 31 -8.326 -2.849 -0.271 1.00 0.00 O ATOM 420 CB LEU A 31 -5.530 -1.002 -0.532 1.00 0.00 C ATOM 421 CG LEU A 31 -4.106 -1.016 0.027 1.00 0.00 C ATOM 422 CD1 LEU A 31 -3.172 -0.158 -0.828 1.00 0.00 C ATOM 423 CD2 LEU A 31 -4.089 -0.591 1.497 1.00 0.00 C ATOM 0 H LEU A 31 -5.360 -2.811 1.144 1.00 0.00 H new ATOM 0 HA LEU A 31 -6.809 -0.373 1.019 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -5.589 -1.731 -1.340 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -5.717 -0.023 -0.972 1.00 0.00 H new ATOM 0 HG LEU A 31 -3.733 -2.039 -0.017 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -2.166 -0.186 -0.408 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -3.151 -0.547 -1.846 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.532 0.871 -0.840 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.065 -0.610 1.869 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.490 0.418 1.589 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -4.700 -1.279 2.082 1.00 0.00 H new ATOM 435 N PRO A 32 -8.706 -0.620 -0.646 1.00 0.00 N ATOM 436 CA PRO A 32 -9.991 -0.823 -1.292 1.00 0.00 C ATOM 437 C PRO A 32 -9.812 -1.363 -2.712 1.00 0.00 C ATOM 438 O PRO A 32 -8.960 -0.884 -3.459 1.00 0.00 O ATOM 439 CB PRO A 32 -10.670 0.536 -1.255 1.00 0.00 C ATOM 440 CG PRO A 32 -9.563 1.549 -1.012 1.00 0.00 C ATOM 441 CD PRO A 32 -8.326 0.788 -0.563 1.00 0.00 C ATOM 0 HA PRO A 32 -10.601 -1.572 -0.787 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -11.187 0.740 -2.193 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -11.418 0.577 -0.463 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -9.355 2.113 -1.921 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -9.865 2.270 -0.252 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -7.472 1.006 -1.205 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -8.040 1.062 0.452 1.00 0.00 H new ATOM 449 N SER A 33 -10.628 -2.354 -3.042 1.00 0.00 N ATOM 450 CA SER A 33 -10.570 -2.964 -4.359 1.00 0.00 C ATOM 451 C SER A 33 -11.491 -2.216 -5.324 1.00 0.00 C ATOM 452 O SER A 33 -11.215 -2.141 -6.520 1.00 0.00 O ATOM 453 CB SER A 33 -10.954 -4.444 -4.298 1.00 0.00 C ATOM 454 OG SER A 33 -10.412 -5.090 -3.150 1.00 0.00 O ATOM 0 H SER A 33 -11.333 -2.749 -2.420 1.00 0.00 H new ATOM 0 HA SER A 33 -9.544 -2.897 -4.721 1.00 0.00 H new ATOM 0 HB2 SER A 33 -12.040 -4.536 -4.287 1.00 0.00 H new ATOM 0 HB3 SER A 33 -10.600 -4.947 -5.198 1.00 0.00 H new ATOM 0 HG SER A 33 -10.681 -6.032 -3.147 1.00 0.00 H new ATOM 460 N ASP A 34 -12.568 -1.680 -4.768 1.00 0.00 N ATOM 461 CA ASP A 34 -13.532 -0.940 -5.564 1.00 0.00 C ATOM 462 C ASP A 34 -12.790 0.038 -6.477 1.00 0.00 C ATOM 463 O ASP A 34 -13.265 0.360 -7.565 1.00 0.00 O ATOM 464 CB ASP A 34 -14.477 -0.131 -4.674 1.00 0.00 C ATOM 465 CG ASP A 34 -15.853 0.151 -5.279 1.00 0.00 C ATOM 466 OD1 ASP A 34 -15.883 0.824 -6.332 1.00 0.00 O ATOM 467 OD2 ASP A 34 -16.845 -0.313 -4.676 1.00 0.00 O ATOM 0 H ASP A 34 -12.794 -1.744 -3.775 1.00 0.00 H new ATOM 0 HA ASP A 34 -14.111 -1.658 -6.145 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -14.613 -0.666 -3.734 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -14.001 0.820 -4.434 1.00 0.00 H new ATOM 472 N GLY A 35 -11.637 0.483 -6.000 1.00 0.00 N ATOM 473 CA GLY A 35 -10.824 1.417 -6.760 1.00 0.00 C ATOM 474 C GLY A 35 -10.613 2.718 -5.983 1.00 0.00 C ATOM 475 O GLY A 35 -9.947 3.633 -6.465 1.00 0.00 O ATOM 0 H GLY A 35 -11.247 0.214 -5.097 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -9.859 0.964 -6.987 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -11.307 1.633 -7.713 1.00 0.00 H new ATOM 479 N GLN A 36 -11.195 2.760 -4.793 1.00 0.00 N ATOM 480 CA GLN A 36 -11.079 3.934 -3.944 1.00 0.00 C ATOM 481 C GLN A 36 -9.607 4.249 -3.672 1.00 0.00 C ATOM 482 O GLN A 36 -8.732 3.428 -3.944 1.00 0.00 O ATOM 483 CB GLN A 36 -11.850 3.743 -2.637 1.00 0.00 C ATOM 484 CG GLN A 36 -13.299 4.212 -2.781 1.00 0.00 C ATOM 485 CD GLN A 36 -14.134 3.797 -1.568 1.00 0.00 C ATOM 486 OE1 GLN A 36 -13.866 4.175 -0.439 1.00 0.00 O ATOM 487 NE2 GLN A 36 -15.157 2.999 -1.862 1.00 0.00 N ATOM 0 H GLN A 36 -11.748 2.000 -4.397 1.00 0.00 H new ATOM 0 HA GLN A 36 -11.521 4.782 -4.467 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -11.831 2.692 -2.350 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -11.361 4.300 -1.838 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -13.325 5.296 -2.891 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -13.733 3.790 -3.687 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -15.325 2.720 -2.829 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -15.773 2.666 -1.121 1.00 0.00 H new ATOM 496 N ALA A 37 -9.379 5.440 -3.137 1.00 0.00 N ATOM 497 CA ALA A 37 -8.028 5.874 -2.825 1.00 0.00 C ATOM 498 C ALA A 37 -7.889 6.045 -1.311 1.00 0.00 C ATOM 499 O ALA A 37 -8.608 6.837 -0.704 1.00 0.00 O ATOM 500 CB ALA A 37 -7.716 7.162 -3.588 1.00 0.00 C ATOM 0 H ALA A 37 -10.107 6.118 -2.912 1.00 0.00 H new ATOM 0 HA ALA A 37 -7.302 5.125 -3.140 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -6.702 7.487 -3.354 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -7.800 6.980 -4.659 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -8.423 7.938 -3.296 1.00 0.00 H new ATOM 506 N LEU A 38 -6.960 5.289 -0.745 1.00 0.00 N ATOM 507 CA LEU A 38 -6.718 5.347 0.687 1.00 0.00 C ATOM 508 C LEU A 38 -5.516 6.255 0.960 1.00 0.00 C ATOM 509 O LEU A 38 -4.394 5.941 0.565 1.00 0.00 O ATOM 510 CB LEU A 38 -6.567 3.938 1.262 1.00 0.00 C ATOM 511 CG LEU A 38 -6.942 3.772 2.737 1.00 0.00 C ATOM 512 CD1 LEU A 38 -8.372 4.249 2.996 1.00 0.00 C ATOM 513 CD2 LEU A 38 -6.726 2.329 3.198 1.00 0.00 C ATOM 0 H LEU A 38 -6.366 4.633 -1.252 1.00 0.00 H new ATOM 0 HA LEU A 38 -7.573 5.786 1.201 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -7.182 3.258 0.672 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -5.531 3.623 1.133 1.00 0.00 H new ATOM 0 HG LEU A 38 -6.280 4.402 3.331 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -8.613 4.120 4.051 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -8.458 5.303 2.730 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -9.066 3.665 2.391 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -7.000 2.238 4.249 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -7.347 1.660 2.602 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -5.677 2.060 3.072 1.00 0.00 H new ATOM 525 N VAL A 39 -5.792 7.362 1.634 1.00 0.00 N ATOM 526 CA VAL A 39 -4.749 8.317 1.964 1.00 0.00 C ATOM 527 C VAL A 39 -4.099 7.917 3.291 1.00 0.00 C ATOM 528 O VAL A 39 -4.792 7.681 4.279 1.00 0.00 O ATOM 529 CB VAL A 39 -5.323 9.734 1.983 1.00 0.00 C ATOM 530 CG1 VAL A 39 -4.552 10.626 2.959 1.00 0.00 C ATOM 531 CG2 VAL A 39 -5.335 10.340 0.578 1.00 0.00 C ATOM 0 H VAL A 39 -6.724 7.618 1.960 1.00 0.00 H new ATOM 0 HA VAL A 39 -3.968 8.308 1.203 1.00 0.00 H new ATOM 0 HB VAL A 39 -6.355 9.672 2.330 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -4.981 11.628 2.953 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -4.619 10.209 3.964 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -3.506 10.677 2.656 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -5.748 11.348 0.620 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -4.317 10.381 0.191 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -5.949 9.724 -0.079 1.00 0.00 H new ATOM 541 N LEU A 40 -2.776 7.853 3.270 1.00 0.00 N ATOM 542 CA LEU A 40 -2.025 7.486 4.458 1.00 0.00 C ATOM 543 C LEU A 40 -1.453 8.749 5.105 1.00 0.00 C ATOM 544 O LEU A 40 -1.542 9.836 4.537 1.00 0.00 O ATOM 545 CB LEU A 40 -0.966 6.435 4.120 1.00 0.00 C ATOM 546 CG LEU A 40 -1.465 4.993 4.009 1.00 0.00 C ATOM 547 CD1 LEU A 40 -0.293 4.013 3.925 1.00 0.00 C ATOM 548 CD2 LEU A 40 -2.417 4.651 5.156 1.00 0.00 C ATOM 0 H LEU A 40 -2.205 8.049 2.448 1.00 0.00 H new ATOM 0 HA LEU A 40 -2.680 7.019 5.193 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -0.498 6.710 3.175 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -0.189 6.472 4.884 1.00 0.00 H new ATOM 0 HG LEU A 40 -2.032 4.898 3.083 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -0.675 2.995 3.847 1.00 0.00 H new ATOM 0 HD12 LEU A 40 0.311 4.242 3.047 1.00 0.00 H new ATOM 0 HD13 LEU A 40 0.321 4.102 4.821 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -2.756 3.620 5.052 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -1.898 4.768 6.107 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -3.277 5.321 5.127 1.00 0.00 H new ATOM 560 N GLY A 41 -0.880 8.563 6.285 1.00 0.00 N ATOM 561 CA GLY A 41 -0.293 9.674 7.015 1.00 0.00 C ATOM 562 C GLY A 41 -0.331 9.420 8.524 1.00 0.00 C ATOM 563 O GLY A 41 -0.357 8.271 8.963 1.00 0.00 O ATOM 0 H GLY A 41 -0.810 7.660 6.754 1.00 0.00 H new ATOM 0 HA2 GLY A 41 0.738 9.821 6.693 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -0.833 10.592 6.783 1.00 0.00 H new ATOM 567 N ARG A 42 -0.334 10.511 9.276 1.00 0.00 N ATOM 568 CA ARG A 42 -0.368 10.421 10.725 1.00 0.00 C ATOM 569 C ARG A 42 -1.717 9.869 11.191 1.00 0.00 C ATOM 570 O ARG A 42 -2.763 10.259 10.674 1.00 0.00 O ATOM 571 CB ARG A 42 -0.136 11.790 11.368 1.00 0.00 C ATOM 572 CG ARG A 42 1.228 11.846 12.059 1.00 0.00 C ATOM 573 CD ARG A 42 1.328 13.068 12.975 1.00 0.00 C ATOM 574 NE ARG A 42 0.307 12.985 14.043 1.00 0.00 N ATOM 575 CZ ARG A 42 -0.928 13.497 13.942 1.00 0.00 C ATOM 576 NH1 ARG A 42 -1.302 14.130 12.822 1.00 0.00 N ATOM 577 NH2 ARG A 42 -1.789 13.374 14.962 1.00 0.00 N ATOM 0 H ARG A 42 -0.313 11.462 8.908 1.00 0.00 H new ATOM 0 HA ARG A 42 0.431 9.747 11.034 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -0.194 12.568 10.607 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -0.924 11.994 12.093 1.00 0.00 H new ATOM 0 HG2 ARG A 42 1.383 10.937 12.641 1.00 0.00 H new ATOM 0 HG3 ARG A 42 2.018 11.883 11.309 1.00 0.00 H new ATOM 0 HD2 ARG A 42 2.323 13.122 13.416 1.00 0.00 H new ATOM 0 HD3 ARG A 42 1.186 13.980 12.395 1.00 0.00 H new ATOM 0 HE ARG A 42 0.558 12.509 14.909 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -0.647 14.223 12.046 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -2.242 14.519 12.746 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -1.504 12.891 15.814 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -2.729 13.763 14.886 1.00 0.00 H new ATOM 591 N GLY A 43 -1.650 8.970 12.162 1.00 0.00 N ATOM 592 CA GLY A 43 -2.853 8.361 12.703 1.00 0.00 C ATOM 593 C GLY A 43 -2.608 6.895 13.069 1.00 0.00 C ATOM 594 O GLY A 43 -1.484 6.407 12.971 1.00 0.00 O ATOM 0 H GLY A 43 -0.781 8.649 12.588 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -3.178 8.911 13.586 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -3.659 8.427 11.972 1.00 0.00 H new ATOM 598 N PRO A 44 -3.709 6.218 13.493 1.00 0.00 N ATOM 599 CA PRO A 44 -3.625 4.818 13.874 1.00 0.00 C ATOM 600 C PRO A 44 -3.505 3.921 12.641 1.00 0.00 C ATOM 601 O PRO A 44 -3.419 2.700 12.763 1.00 0.00 O ATOM 602 CB PRO A 44 -4.885 4.554 14.681 1.00 0.00 C ATOM 603 CG PRO A 44 -5.847 5.678 14.331 1.00 0.00 C ATOM 604 CD PRO A 44 -5.056 6.764 13.621 1.00 0.00 C ATOM 0 HA PRO A 44 -2.736 4.595 14.464 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -5.312 3.583 14.432 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -4.669 4.543 15.749 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -6.648 5.309 13.691 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -6.315 6.074 15.232 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -5.485 6.993 12.645 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -5.055 7.691 14.194 1.00 0.00 H new ATOM 612 N LEU A 45 -3.503 4.561 11.480 1.00 0.00 N ATOM 613 CA LEU A 45 -3.395 3.835 10.226 1.00 0.00 C ATOM 614 C LEU A 45 -2.069 3.072 10.195 1.00 0.00 C ATOM 615 O LEU A 45 -2.057 1.846 10.096 1.00 0.00 O ATOM 616 CB LEU A 45 -3.587 4.784 9.041 1.00 0.00 C ATOM 617 CG LEU A 45 -5.027 5.210 8.749 1.00 0.00 C ATOM 618 CD1 LEU A 45 -5.450 6.368 9.655 1.00 0.00 C ATOM 619 CD2 LEU A 45 -5.209 5.546 7.267 1.00 0.00 C ATOM 0 H LEU A 45 -3.574 5.574 11.382 1.00 0.00 H new ATOM 0 HA LEU A 45 -4.190 3.094 10.144 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -2.993 5.680 9.219 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -3.183 4.306 8.149 1.00 0.00 H new ATOM 0 HG LEU A 45 -5.684 4.370 8.972 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -6.477 6.652 9.427 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -5.382 6.058 10.698 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -4.792 7.221 9.487 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -6.241 5.846 7.086 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -4.541 6.363 6.994 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -4.975 4.669 6.664 1.00 0.00 H new ATOM 631 N THR A 46 -0.986 3.829 10.282 1.00 0.00 N ATOM 632 CA THR A 46 0.342 3.240 10.266 1.00 0.00 C ATOM 633 C THR A 46 1.041 3.462 11.608 1.00 0.00 C ATOM 634 O THR A 46 2.233 3.188 11.745 1.00 0.00 O ATOM 635 CB THR A 46 1.106 3.828 9.078 1.00 0.00 C ATOM 636 OG1 THR A 46 1.050 5.236 9.292 1.00 0.00 O ATOM 637 CG2 THR A 46 0.373 3.624 7.751 1.00 0.00 C ATOM 0 H THR A 46 -1.001 4.846 10.364 1.00 0.00 H new ATOM 0 HA THR A 46 0.293 2.159 10.136 1.00 0.00 H new ATOM 0 HB THR A 46 2.094 3.372 9.021 1.00 0.00 H new ATOM 0 HG1 THR A 46 1.523 5.696 8.568 1.00 0.00 H new ATOM 0 HG21 THR A 46 0.958 4.060 6.941 1.00 0.00 H new ATOM 0 HG22 THR A 46 0.240 2.558 7.569 1.00 0.00 H new ATOM 0 HG23 THR A 46 -0.602 4.109 7.796 1.00 0.00 H new ATOM 645 N GLN A 47 0.271 3.957 12.566 1.00 0.00 N ATOM 646 CA GLN A 47 0.801 4.220 13.893 1.00 0.00 C ATOM 647 C GLN A 47 1.855 5.327 13.833 1.00 0.00 C ATOM 648 O GLN A 47 2.712 5.421 14.711 1.00 0.00 O ATOM 649 CB GLN A 47 1.378 2.946 14.514 1.00 0.00 C ATOM 650 CG GLN A 47 0.262 1.988 14.937 1.00 0.00 C ATOM 651 CD GLN A 47 0.079 1.997 16.456 1.00 0.00 C ATOM 652 OE1 GLN A 47 0.801 2.651 17.191 1.00 0.00 O ATOM 653 NE2 GLN A 47 -0.925 1.238 16.884 1.00 0.00 N ATOM 0 H GLN A 47 -0.717 4.183 12.449 1.00 0.00 H new ATOM 0 HA GLN A 47 -0.016 4.558 14.530 1.00 0.00 H new ATOM 0 HB2 GLN A 47 2.034 2.452 13.797 1.00 0.00 H new ATOM 0 HB3 GLN A 47 1.989 3.203 15.379 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -0.671 2.275 14.453 1.00 0.00 H new ATOM 0 HG3 GLN A 47 0.498 0.978 14.601 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -1.491 0.716 16.215 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -1.130 1.178 17.881 1.00 0.00 H new ATOM 662 N VAL A 48 1.758 6.138 12.790 1.00 0.00 N ATOM 663 CA VAL A 48 2.692 7.235 12.605 1.00 0.00 C ATOM 664 C VAL A 48 2.189 8.462 13.368 1.00 0.00 C ATOM 665 O VAL A 48 1.032 8.853 13.227 1.00 0.00 O ATOM 666 CB VAL A 48 2.896 7.502 11.112 1.00 0.00 C ATOM 667 CG1 VAL A 48 3.778 8.733 10.891 1.00 0.00 C ATOM 668 CG2 VAL A 48 3.482 6.275 10.411 1.00 0.00 C ATOM 0 H VAL A 48 1.046 6.057 12.064 1.00 0.00 H new ATOM 0 HA VAL A 48 3.670 6.977 13.012 1.00 0.00 H new ATOM 0 HB VAL A 48 1.920 7.705 10.671 1.00 0.00 H new ATOM 0 HG11 VAL A 48 3.907 8.901 9.822 1.00 0.00 H new ATOM 0 HG12 VAL A 48 3.304 9.606 11.340 1.00 0.00 H new ATOM 0 HG13 VAL A 48 4.752 8.571 11.353 1.00 0.00 H new ATOM 0 HG21 VAL A 48 3.617 6.491 9.351 1.00 0.00 H new ATOM 0 HG22 VAL A 48 4.445 6.027 10.856 1.00 0.00 H new ATOM 0 HG23 VAL A 48 2.802 5.431 10.525 1.00 0.00 H new ATOM 678 N THR A 49 3.084 9.034 14.160 1.00 0.00 N ATOM 679 CA THR A 49 2.746 10.208 14.946 1.00 0.00 C ATOM 680 C THR A 49 3.812 11.292 14.773 1.00 0.00 C ATOM 681 O THR A 49 3.927 12.192 15.602 1.00 0.00 O ATOM 682 CB THR A 49 2.559 9.767 16.399 1.00 0.00 C ATOM 683 OG1 THR A 49 3.675 8.916 16.650 1.00 0.00 O ATOM 684 CG2 THR A 49 1.345 8.853 16.583 1.00 0.00 C ATOM 0 H THR A 49 4.043 8.706 14.274 1.00 0.00 H new ATOM 0 HA THR A 49 1.813 10.656 14.604 1.00 0.00 H new ATOM 0 HB THR A 49 2.450 10.647 17.034 1.00 0.00 H new ATOM 0 HG1 THR A 49 3.634 8.586 17.572 1.00 0.00 H new ATOM 0 HG21 THR A 49 1.259 8.570 17.632 1.00 0.00 H new ATOM 0 HG22 THR A 49 0.442 9.380 16.274 1.00 0.00 H new ATOM 0 HG23 THR A 49 1.468 7.957 15.974 1.00 0.00 H new ATOM 692 N ASP A 50 4.564 11.168 13.689 1.00 0.00 N ATOM 693 CA ASP A 50 5.616 12.126 13.395 1.00 0.00 C ATOM 694 C ASP A 50 5.000 13.381 12.774 1.00 0.00 C ATOM 695 O ASP A 50 4.098 13.287 11.943 1.00 0.00 O ATOM 696 CB ASP A 50 6.623 11.550 12.398 1.00 0.00 C ATOM 697 CG ASP A 50 8.010 12.195 12.432 1.00 0.00 C ATOM 698 OD1 ASP A 50 8.060 13.418 12.684 1.00 0.00 O ATOM 699 OD2 ASP A 50 8.988 11.450 12.206 1.00 0.00 O ATOM 0 H ASP A 50 4.466 10.419 13.004 1.00 0.00 H new ATOM 0 HA ASP A 50 6.127 12.361 14.329 1.00 0.00 H new ATOM 0 HB2 ASP A 50 6.731 10.482 12.590 1.00 0.00 H new ATOM 0 HB3 ASP A 50 6.215 11.654 11.392 1.00 0.00 H new ATOM 704 N ARG A 51 5.511 14.526 13.200 1.00 0.00 N ATOM 705 CA ARG A 51 5.022 15.798 12.696 1.00 0.00 C ATOM 706 C ARG A 51 5.316 15.924 11.200 1.00 0.00 C ATOM 707 O ARG A 51 4.655 16.686 10.496 1.00 0.00 O ATOM 708 CB ARG A 51 5.670 16.970 13.436 1.00 0.00 C ATOM 709 CG ARG A 51 5.291 16.958 14.919 1.00 0.00 C ATOM 710 CD ARG A 51 6.391 17.594 15.771 1.00 0.00 C ATOM 711 NE ARG A 51 5.873 18.806 16.444 1.00 0.00 N ATOM 712 CZ ARG A 51 6.646 19.806 16.890 1.00 0.00 C ATOM 713 NH1 ARG A 51 7.975 19.745 16.737 1.00 0.00 N ATOM 714 NH2 ARG A 51 6.088 20.867 17.489 1.00 0.00 N ATOM 0 H ARG A 51 6.259 14.600 13.889 1.00 0.00 H new ATOM 0 HA ARG A 51 3.945 15.829 12.863 1.00 0.00 H new ATOM 0 HB2 ARG A 51 6.754 16.915 13.333 1.00 0.00 H new ATOM 0 HB3 ARG A 51 5.354 17.910 12.984 1.00 0.00 H new ATOM 0 HG2 ARG A 51 4.356 17.499 15.063 1.00 0.00 H new ATOM 0 HG3 ARG A 51 5.120 15.932 15.246 1.00 0.00 H new ATOM 0 HD2 ARG A 51 6.746 16.879 16.514 1.00 0.00 H new ATOM 0 HD3 ARG A 51 7.244 17.853 15.144 1.00 0.00 H new ATOM 0 HE ARG A 51 4.865 18.885 16.577 1.00 0.00 H new ATOM 0 HH11 ARG A 51 8.399 18.937 16.281 1.00 0.00 H new ATOM 0 HH12 ARG A 51 8.563 20.506 17.077 1.00 0.00 H new ATOM 0 HH21 ARG A 51 5.076 20.913 17.605 1.00 0.00 H new ATOM 0 HH22 ARG A 51 6.676 21.628 17.829 1.00 0.00 H new ATOM 728 N LYS A 52 6.309 15.166 10.758 1.00 0.00 N ATOM 729 CA LYS A 52 6.699 15.183 9.359 1.00 0.00 C ATOM 730 C LYS A 52 5.606 14.516 8.521 1.00 0.00 C ATOM 731 O LYS A 52 5.443 14.830 7.343 1.00 0.00 O ATOM 732 CB LYS A 52 8.082 14.554 9.179 1.00 0.00 C ATOM 733 CG LYS A 52 9.175 15.465 9.740 1.00 0.00 C ATOM 734 CD LYS A 52 9.563 16.544 8.728 1.00 0.00 C ATOM 735 CE LYS A 52 10.611 17.493 9.312 1.00 0.00 C ATOM 736 NZ LYS A 52 11.498 18.007 8.244 1.00 0.00 N ATOM 0 H LYS A 52 6.855 14.536 11.345 1.00 0.00 H new ATOM 0 HA LYS A 52 6.793 16.209 9.003 1.00 0.00 H new ATOM 0 HB2 LYS A 52 8.115 13.588 9.683 1.00 0.00 H new ATOM 0 HB3 LYS A 52 8.266 14.368 8.121 1.00 0.00 H new ATOM 0 HG2 LYS A 52 8.826 15.933 10.660 1.00 0.00 H new ATOM 0 HG3 LYS A 52 10.052 14.871 9.997 1.00 0.00 H new ATOM 0 HD2 LYS A 52 9.954 16.076 7.825 1.00 0.00 H new ATOM 0 HD3 LYS A 52 8.678 17.109 8.437 1.00 0.00 H new ATOM 0 HE2 LYS A 52 10.117 18.325 9.814 1.00 0.00 H new ATOM 0 HE3 LYS A 52 11.203 16.972 10.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 12.203 18.650 8.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 11.983 17.211 7.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 10.931 18.522 7.540 1.00 0.00 H new ATOM 750 N CYS A 53 4.886 13.607 9.162 1.00 0.00 N ATOM 751 CA CYS A 53 3.813 12.892 8.491 1.00 0.00 C ATOM 752 C CYS A 53 2.567 13.780 8.497 1.00 0.00 C ATOM 753 O CYS A 53 2.202 14.337 9.531 1.00 0.00 O ATOM 754 CB CYS A 53 3.548 11.532 9.140 1.00 0.00 C ATOM 755 SG CYS A 53 3.989 10.189 7.978 1.00 0.00 S ATOM 0 H CYS A 53 5.024 13.349 10.139 1.00 0.00 H new ATOM 0 HA CYS A 53 4.102 12.680 7.462 1.00 0.00 H new ATOM 0 HB2 CYS A 53 4.130 11.437 10.056 1.00 0.00 H new ATOM 0 HB3 CYS A 53 2.498 11.452 9.420 1.00 0.00 H new ATOM 0 HG CYS A 53 3.809 10.596 6.756 1.00 0.00 H new ATOM 761 N SER A 54 1.950 13.886 7.329 1.00 0.00 N ATOM 762 CA SER A 54 0.752 14.696 7.187 1.00 0.00 C ATOM 763 C SER A 54 -0.469 13.796 6.993 1.00 0.00 C ATOM 764 O SER A 54 -0.414 12.822 6.243 1.00 0.00 O ATOM 765 CB SER A 54 0.884 15.672 6.015 1.00 0.00 C ATOM 766 OG SER A 54 1.248 16.980 6.448 1.00 0.00 O ATOM 0 H SER A 54 2.257 13.425 6.473 1.00 0.00 H new ATOM 0 HA SER A 54 0.623 15.279 8.099 1.00 0.00 H new ATOM 0 HB2 SER A 54 1.633 15.300 5.316 1.00 0.00 H new ATOM 0 HB3 SER A 54 -0.061 15.719 5.474 1.00 0.00 H new ATOM 0 HG SER A 54 1.324 17.572 5.671 1.00 0.00 H new ATOM 772 N ARG A 55 -1.544 14.154 7.681 1.00 0.00 N ATOM 773 CA ARG A 55 -2.777 13.391 7.593 1.00 0.00 C ATOM 774 C ARG A 55 -2.995 12.897 6.162 1.00 0.00 C ATOM 775 O ARG A 55 -3.489 11.790 5.952 1.00 0.00 O ATOM 776 CB ARG A 55 -3.979 14.234 8.023 1.00 0.00 C ATOM 777 CG ARG A 55 -4.609 13.679 9.302 1.00 0.00 C ATOM 778 CD ARG A 55 -6.124 13.534 9.148 1.00 0.00 C ATOM 779 NE ARG A 55 -6.719 13.058 10.417 1.00 0.00 N ATOM 780 CZ ARG A 55 -7.007 13.853 11.456 1.00 0.00 C ATOM 781 NH1 ARG A 55 -6.756 15.167 11.384 1.00 0.00 N ATOM 782 NH2 ARG A 55 -7.545 13.333 12.568 1.00 0.00 N ATOM 0 H ARG A 55 -1.586 14.962 8.302 1.00 0.00 H new ATOM 0 HA ARG A 55 -2.687 12.538 8.266 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -3.665 15.265 8.186 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -4.721 14.249 7.225 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -4.169 12.710 9.537 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -4.387 14.342 10.138 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -6.563 14.492 8.868 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -6.351 12.833 8.345 1.00 0.00 H new ATOM 0 HE ARG A 55 -6.922 12.062 10.506 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -6.346 15.562 10.538 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -6.975 15.772 12.175 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -7.735 12.332 12.623 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -7.764 13.938 13.359 1.00 0.00 H new ATOM 796 N ASN A 56 -2.616 13.741 5.214 1.00 0.00 N ATOM 797 CA ASN A 56 -2.764 13.404 3.808 1.00 0.00 C ATOM 798 C ASN A 56 -1.409 13.538 3.111 1.00 0.00 C ATOM 799 O ASN A 56 -1.234 14.395 2.245 1.00 0.00 O ATOM 800 CB ASN A 56 -3.748 14.350 3.116 1.00 0.00 C ATOM 801 CG ASN A 56 -5.183 13.833 3.237 1.00 0.00 C ATOM 802 OD1 ASN A 56 -5.579 13.627 4.489 1.00 0.00 O flip ATOM 803 ND2 ASN A 56 -5.883 13.635 2.258 1.00 0.00 N flip ATOM 0 H ASN A 56 -2.206 14.658 5.392 1.00 0.00 H new ATOM 0 HA ASN A 56 -3.139 12.383 3.743 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -3.677 15.343 3.560 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -3.482 14.451 2.064 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -5.515 13.814 1.324 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -6.836 13.290 2.374 1.00 0.00 H new ATOM 810 N GLN A 57 -0.485 12.679 3.513 1.00 0.00 N ATOM 811 CA GLN A 57 0.849 12.690 2.938 1.00 0.00 C ATOM 812 C GLN A 57 0.809 12.186 1.494 1.00 0.00 C ATOM 813 O GLN A 57 1.165 12.913 0.568 1.00 0.00 O ATOM 814 CB GLN A 57 1.818 11.859 3.781 1.00 0.00 C ATOM 815 CG GLN A 57 3.136 11.631 3.039 1.00 0.00 C ATOM 816 CD GLN A 57 3.747 12.959 2.587 1.00 0.00 C ATOM 817 OE1 GLN A 57 3.533 14.004 3.179 1.00 0.00 O ATOM 818 NE2 GLN A 57 4.519 12.860 1.508 1.00 0.00 N ATOM 0 H GLN A 57 -0.634 11.970 4.231 1.00 0.00 H new ATOM 0 HA GLN A 57 1.212 13.718 2.934 1.00 0.00 H new ATOM 0 HB2 GLN A 57 2.012 12.368 4.725 1.00 0.00 H new ATOM 0 HB3 GLN A 57 1.363 10.899 4.024 1.00 0.00 H new ATOM 0 HG2 GLN A 57 3.837 11.106 3.688 1.00 0.00 H new ATOM 0 HG3 GLN A 57 2.964 10.992 2.173 1.00 0.00 H new ATOM 0 HE21 GLN A 57 4.656 11.954 1.060 1.00 0.00 H new ATOM 0 HE22 GLN A 57 4.974 13.690 1.128 1.00 0.00 H new ATOM 827 N VAL A 58 0.371 10.944 1.346 1.00 0.00 N ATOM 828 CA VAL A 58 0.279 10.334 0.031 1.00 0.00 C ATOM 829 C VAL A 58 -1.038 9.563 -0.078 1.00 0.00 C ATOM 830 O VAL A 58 -1.666 9.254 0.933 1.00 0.00 O ATOM 831 CB VAL A 58 1.508 9.460 -0.228 1.00 0.00 C ATOM 832 CG1 VAL A 58 2.772 10.313 -0.347 1.00 0.00 C ATOM 833 CG2 VAL A 58 1.663 8.397 0.862 1.00 0.00 C ATOM 0 H VAL A 58 0.076 10.344 2.116 1.00 0.00 H new ATOM 0 HA VAL A 58 0.272 11.099 -0.745 1.00 0.00 H new ATOM 0 HB VAL A 58 1.361 8.947 -1.178 1.00 0.00 H new ATOM 0 HG11 VAL A 58 3.631 9.667 -0.531 1.00 0.00 H new ATOM 0 HG12 VAL A 58 2.661 11.014 -1.174 1.00 0.00 H new ATOM 0 HG13 VAL A 58 2.926 10.866 0.579 1.00 0.00 H new ATOM 0 HG21 VAL A 58 2.544 7.789 0.655 1.00 0.00 H new ATOM 0 HG22 VAL A 58 1.778 8.883 1.831 1.00 0.00 H new ATOM 0 HG23 VAL A 58 0.778 7.760 0.878 1.00 0.00 H new ATOM 843 N GLU A 59 -1.416 9.273 -1.314 1.00 0.00 N ATOM 844 CA GLU A 59 -2.647 8.543 -1.568 1.00 0.00 C ATOM 845 C GLU A 59 -2.334 7.156 -2.133 1.00 0.00 C ATOM 846 O GLU A 59 -1.633 7.034 -3.137 1.00 0.00 O ATOM 847 CB GLU A 59 -3.563 9.325 -2.511 1.00 0.00 C ATOM 848 CG GLU A 59 -5.013 8.851 -2.386 1.00 0.00 C ATOM 849 CD GLU A 59 -5.986 9.933 -2.858 1.00 0.00 C ATOM 850 OE1 GLU A 59 -5.732 10.488 -3.948 1.00 0.00 O ATOM 851 OE2 GLU A 59 -6.963 10.179 -2.117 1.00 0.00 O ATOM 0 H GLU A 59 -0.892 9.530 -2.151 1.00 0.00 H new ATOM 0 HA GLU A 59 -3.175 8.418 -0.622 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -3.504 10.389 -2.282 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -3.223 9.201 -3.539 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -5.156 7.946 -2.976 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -5.227 8.592 -1.349 1.00 0.00 H new ATOM 858 N LEU A 60 -2.869 6.145 -1.464 1.00 0.00 N ATOM 859 CA LEU A 60 -2.656 4.771 -1.887 1.00 0.00 C ATOM 860 C LEU A 60 -3.948 4.224 -2.498 1.00 0.00 C ATOM 861 O LEU A 60 -4.990 4.209 -1.845 1.00 0.00 O ATOM 862 CB LEU A 60 -2.121 3.931 -0.726 1.00 0.00 C ATOM 863 CG LEU A 60 -0.614 4.015 -0.475 1.00 0.00 C ATOM 864 CD1 LEU A 60 -0.294 5.058 0.598 1.00 0.00 C ATOM 865 CD2 LEU A 60 -0.039 2.640 -0.128 1.00 0.00 C ATOM 0 H LEU A 60 -3.450 6.250 -0.632 1.00 0.00 H new ATOM 0 HA LEU A 60 -1.892 4.725 -2.663 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -2.638 4.234 0.184 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -2.381 2.888 -0.908 1.00 0.00 H new ATOM 0 HG LEU A 60 -0.132 4.343 -1.396 1.00 0.00 H new ATOM 0 HD11 LEU A 60 0.784 5.098 0.757 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -0.649 6.036 0.272 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -0.789 4.785 1.530 1.00 0.00 H new ATOM 0 HD21 LEU A 60 1.034 2.727 0.046 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -0.523 2.260 0.772 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -0.218 1.952 -0.954 1.00 0.00 H new ATOM 877 N ILE A 61 -3.836 3.789 -3.745 1.00 0.00 N ATOM 878 CA ILE A 61 -4.982 3.243 -4.452 1.00 0.00 C ATOM 879 C ILE A 61 -4.649 1.831 -4.939 1.00 0.00 C ATOM 880 O ILE A 61 -3.742 1.648 -5.749 1.00 0.00 O ATOM 881 CB ILE A 61 -5.425 4.191 -5.568 1.00 0.00 C ATOM 882 CG1 ILE A 61 -5.206 5.651 -5.166 1.00 0.00 C ATOM 883 CG2 ILE A 61 -6.874 3.919 -5.975 1.00 0.00 C ATOM 884 CD1 ILE A 61 -3.730 6.036 -5.281 1.00 0.00 C ATOM 0 H ILE A 61 -2.970 3.804 -4.283 1.00 0.00 H new ATOM 0 HA ILE A 61 -5.838 3.156 -3.782 1.00 0.00 H new ATOM 0 HB ILE A 61 -4.804 4.002 -6.444 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -5.806 6.301 -5.803 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -5.547 5.805 -4.142 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -7.164 4.606 -6.770 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -6.965 2.893 -6.331 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -7.527 4.064 -5.114 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -3.602 7.078 -4.990 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -3.136 5.400 -4.625 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -3.399 5.904 -6.311 1.00 0.00 H new ATOM 896 N ALA A 62 -5.402 0.869 -4.426 1.00 0.00 N ATOM 897 CA ALA A 62 -5.199 -0.520 -4.799 1.00 0.00 C ATOM 898 C ALA A 62 -5.755 -0.753 -6.205 1.00 0.00 C ATOM 899 O ALA A 62 -6.912 -0.437 -6.479 1.00 0.00 O ATOM 900 CB ALA A 62 -5.851 -1.430 -3.756 1.00 0.00 C ATOM 0 H ALA A 62 -6.154 1.025 -3.755 1.00 0.00 H new ATOM 0 HA ALA A 62 -4.136 -0.759 -4.821 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -5.698 -2.472 -4.036 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -5.400 -1.247 -2.781 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -6.919 -1.220 -3.707 1.00 0.00 H new ATOM 906 N ASP A 63 -4.905 -1.304 -7.059 1.00 0.00 N ATOM 907 CA ASP A 63 -5.298 -1.582 -8.430 1.00 0.00 C ATOM 908 C ASP A 63 -5.140 -3.079 -8.707 1.00 0.00 C ATOM 909 O ASP A 63 -4.079 -3.525 -9.141 1.00 0.00 O ATOM 910 CB ASP A 63 -4.414 -0.822 -9.422 1.00 0.00 C ATOM 911 CG ASP A 63 -5.027 0.462 -9.982 1.00 0.00 C ATOM 912 OD1 ASP A 63 -6.243 0.653 -9.763 1.00 0.00 O ATOM 913 OD2 ASP A 63 -4.266 1.225 -10.615 1.00 0.00 O ATOM 0 H ASP A 63 -3.946 -1.565 -6.828 1.00 0.00 H new ATOM 0 HA ASP A 63 -6.334 -1.266 -8.555 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -3.473 -0.573 -8.931 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -4.174 -1.485 -10.253 1.00 0.00 H new ATOM 918 N PRO A 64 -6.240 -3.832 -8.438 1.00 0.00 N ATOM 919 CA PRO A 64 -6.233 -5.269 -8.653 1.00 0.00 C ATOM 920 C PRO A 64 -6.329 -5.601 -10.144 1.00 0.00 C ATOM 921 O PRO A 64 -6.324 -6.770 -10.525 1.00 0.00 O ATOM 922 CB PRO A 64 -7.414 -5.792 -7.852 1.00 0.00 C ATOM 923 CG PRO A 64 -8.310 -4.591 -7.597 1.00 0.00 C ATOM 924 CD PRO A 64 -7.513 -3.338 -7.923 1.00 0.00 C ATOM 0 HA PRO A 64 -5.306 -5.739 -8.325 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -7.947 -6.567 -8.403 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -7.083 -6.238 -6.914 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -9.206 -4.645 -8.215 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -8.640 -4.574 -6.558 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -8.027 -2.723 -8.662 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -7.369 -2.719 -7.037 1.00 0.00 H new ATOM 932 N GLU A 65 -6.413 -4.550 -10.947 1.00 0.00 N ATOM 933 CA GLU A 65 -6.509 -4.715 -12.387 1.00 0.00 C ATOM 934 C GLU A 65 -5.279 -5.451 -12.921 1.00 0.00 C ATOM 935 O GLU A 65 -5.402 -6.356 -13.745 1.00 0.00 O ATOM 936 CB GLU A 65 -6.684 -3.363 -13.083 1.00 0.00 C ATOM 937 CG GLU A 65 -8.063 -3.258 -13.739 1.00 0.00 C ATOM 938 CD GLU A 65 -8.096 -2.125 -14.767 1.00 0.00 C ATOM 939 OE1 GLU A 65 -8.265 -0.967 -14.329 1.00 0.00 O ATOM 940 OE2 GLU A 65 -7.952 -2.444 -15.967 1.00 0.00 O ATOM 0 H GLU A 65 -6.417 -3.581 -10.627 1.00 0.00 H new ATOM 0 HA GLU A 65 -7.391 -5.317 -12.606 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -6.560 -2.558 -12.358 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -5.908 -3.235 -13.837 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -8.312 -4.202 -14.224 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -8.821 -3.083 -12.975 1.00 0.00 H new ATOM 947 N SER A 66 -4.121 -5.035 -12.430 1.00 0.00 N ATOM 948 CA SER A 66 -2.869 -5.644 -12.847 1.00 0.00 C ATOM 949 C SER A 66 -1.943 -5.815 -11.641 1.00 0.00 C ATOM 950 O SER A 66 -0.727 -5.914 -11.797 1.00 0.00 O ATOM 951 CB SER A 66 -2.183 -4.807 -13.928 1.00 0.00 C ATOM 952 OG SER A 66 -2.642 -5.144 -15.235 1.00 0.00 O ATOM 0 H SER A 66 -4.023 -4.284 -11.747 1.00 0.00 H new ATOM 0 HA SER A 66 -3.090 -6.624 -13.270 1.00 0.00 H new ATOM 0 HB2 SER A 66 -2.368 -3.749 -13.740 1.00 0.00 H new ATOM 0 HB3 SER A 66 -1.105 -4.956 -13.873 1.00 0.00 H new ATOM 0 HG SER A 66 -2.182 -4.587 -15.897 1.00 0.00 H new ATOM 958 N ARG A 67 -2.554 -5.846 -10.466 1.00 0.00 N ATOM 959 CA ARG A 67 -1.800 -6.004 -9.234 1.00 0.00 C ATOM 960 C ARG A 67 -0.800 -4.856 -9.073 1.00 0.00 C ATOM 961 O ARG A 67 0.410 -5.079 -9.066 1.00 0.00 O ATOM 962 CB ARG A 67 -1.045 -7.334 -9.217 1.00 0.00 C ATOM 963 CG ARG A 67 -1.974 -8.496 -9.577 1.00 0.00 C ATOM 964 CD ARG A 67 -2.821 -8.914 -8.373 1.00 0.00 C ATOM 965 NE ARG A 67 -3.944 -9.769 -8.818 1.00 0.00 N ATOM 966 CZ ARG A 67 -3.805 -11.036 -9.233 1.00 0.00 C ATOM 967 NH1 ARG A 67 -2.591 -11.601 -9.263 1.00 0.00 N ATOM 968 NH2 ARG A 67 -4.880 -11.736 -9.618 1.00 0.00 N ATOM 0 H ARG A 67 -3.563 -5.764 -10.341 1.00 0.00 H new ATOM 0 HA ARG A 67 -2.510 -5.992 -8.407 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -0.216 -7.295 -9.923 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -0.615 -7.500 -8.229 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -2.625 -8.204 -10.401 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -1.384 -9.344 -9.923 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -2.205 -9.454 -7.654 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -3.205 -8.030 -7.864 1.00 0.00 H new ATOM 0 HE ARG A 67 -4.882 -9.369 -8.808 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -1.773 -11.067 -8.970 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -2.485 -12.565 -9.579 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -5.804 -11.305 -9.595 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -4.774 -12.700 -9.934 1.00 0.00 H new ATOM 982 N THR A 68 -1.343 -3.654 -8.949 1.00 0.00 N ATOM 983 CA THR A 68 -0.514 -2.472 -8.789 1.00 0.00 C ATOM 984 C THR A 68 -1.156 -1.501 -7.796 1.00 0.00 C ATOM 985 O THR A 68 -2.276 -1.724 -7.339 1.00 0.00 O ATOM 986 CB THR A 68 -0.286 -1.863 -10.174 1.00 0.00 C ATOM 987 OG1 THR A 68 -1.556 -1.966 -10.811 1.00 0.00 O ATOM 988 CG2 THR A 68 0.638 -2.717 -11.044 1.00 0.00 C ATOM 0 H THR A 68 -2.347 -3.473 -8.956 1.00 0.00 H new ATOM 0 HA THR A 68 0.458 -2.725 -8.366 1.00 0.00 H new ATOM 0 HB THR A 68 0.138 -0.864 -10.067 1.00 0.00 H new ATOM 0 HG1 THR A 68 -1.500 -1.592 -11.715 1.00 0.00 H new ATOM 0 HG21 THR A 68 0.766 -2.240 -12.016 1.00 0.00 H new ATOM 0 HG22 THR A 68 1.608 -2.815 -10.557 1.00 0.00 H new ATOM 0 HG23 THR A 68 0.199 -3.705 -11.180 1.00 0.00 H new ATOM 996 N VAL A 69 -0.419 -0.442 -7.492 1.00 0.00 N ATOM 997 CA VAL A 69 -0.902 0.564 -6.562 1.00 0.00 C ATOM 998 C VAL A 69 -0.360 1.934 -6.972 1.00 0.00 C ATOM 999 O VAL A 69 0.814 2.063 -7.317 1.00 0.00 O ATOM 1000 CB VAL A 69 -0.526 0.176 -5.130 1.00 0.00 C ATOM 1001 CG1 VAL A 69 -1.033 1.218 -4.129 1.00 0.00 C ATOM 1002 CG2 VAL A 69 -1.052 -1.218 -4.783 1.00 0.00 C ATOM 0 H VAL A 69 0.509 -0.259 -7.874 1.00 0.00 H new ATOM 0 HA VAL A 69 -1.990 0.623 -6.594 1.00 0.00 H new ATOM 0 HB VAL A 69 0.562 0.149 -5.065 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -0.753 0.919 -3.119 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -0.589 2.187 -4.357 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -2.118 1.291 -4.198 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -0.771 -1.469 -3.760 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -2.138 -1.230 -4.874 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -0.622 -1.950 -5.467 1.00 0.00 H new ATOM 1012 N ALA A 70 -1.240 2.923 -6.921 1.00 0.00 N ATOM 1013 CA ALA A 70 -0.864 4.279 -7.283 1.00 0.00 C ATOM 1014 C ALA A 70 -0.489 5.055 -6.019 1.00 0.00 C ATOM 1015 O ALA A 70 -1.077 4.843 -4.959 1.00 0.00 O ATOM 1016 CB ALA A 70 -2.010 4.938 -8.053 1.00 0.00 C ATOM 0 H ALA A 70 -2.213 2.812 -6.634 1.00 0.00 H new ATOM 0 HA ALA A 70 0.008 4.274 -7.937 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -1.728 5.955 -8.325 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -2.218 4.365 -8.957 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -2.902 4.964 -7.427 1.00 0.00 H new ATOM 1022 N VAL A 71 0.488 5.936 -6.172 1.00 0.00 N ATOM 1023 CA VAL A 71 0.949 6.745 -5.056 1.00 0.00 C ATOM 1024 C VAL A 71 1.025 8.210 -5.490 1.00 0.00 C ATOM 1025 O VAL A 71 1.808 8.560 -6.371 1.00 0.00 O ATOM 1026 CB VAL A 71 2.283 6.206 -4.535 1.00 0.00 C ATOM 1027 CG1 VAL A 71 2.856 7.118 -3.449 1.00 0.00 C ATOM 1028 CG2 VAL A 71 2.132 4.772 -4.023 1.00 0.00 C ATOM 0 H VAL A 71 0.974 6.108 -7.052 1.00 0.00 H new ATOM 0 HA VAL A 71 0.244 6.688 -4.227 1.00 0.00 H new ATOM 0 HB VAL A 71 2.987 6.193 -5.367 1.00 0.00 H new ATOM 0 HG11 VAL A 71 3.804 6.712 -3.096 1.00 0.00 H new ATOM 0 HG12 VAL A 71 3.018 8.115 -3.859 1.00 0.00 H new ATOM 0 HG13 VAL A 71 2.155 7.178 -2.617 1.00 0.00 H new ATOM 0 HG21 VAL A 71 3.094 4.413 -3.658 1.00 0.00 H new ATOM 0 HG22 VAL A 71 1.405 4.750 -3.211 1.00 0.00 H new ATOM 0 HG23 VAL A 71 1.789 4.130 -4.834 1.00 0.00 H new ATOM 1038 N LYS A 72 0.200 9.026 -4.851 1.00 0.00 N ATOM 1039 CA LYS A 72 0.164 10.446 -5.159 1.00 0.00 C ATOM 1040 C LYS A 72 0.408 11.248 -3.880 1.00 0.00 C ATOM 1041 O LYS A 72 -0.332 11.112 -2.907 1.00 0.00 O ATOM 1042 CB LYS A 72 -1.142 10.806 -5.871 1.00 0.00 C ATOM 1043 CG LYS A 72 -1.270 12.320 -6.049 1.00 0.00 C ATOM 1044 CD LYS A 72 -1.910 12.662 -7.395 1.00 0.00 C ATOM 1045 CE LYS A 72 -3.234 13.404 -7.200 1.00 0.00 C ATOM 1046 NZ LYS A 72 -4.266 12.874 -8.120 1.00 0.00 N ATOM 0 H LYS A 72 -0.449 8.731 -4.121 1.00 0.00 H new ATOM 0 HA LYS A 72 0.962 10.705 -5.855 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -1.176 10.318 -6.845 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -1.989 10.431 -5.296 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -1.872 12.735 -5.240 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -0.285 12.782 -5.983 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -1.227 13.277 -7.981 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -2.082 11.748 -7.963 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -3.569 13.297 -6.168 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -3.091 14.469 -7.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -5.158 13.389 -7.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -3.951 12.998 -9.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -4.415 11.863 -7.929 1.00 0.00 H new ATOM 1060 N GLN A 73 1.449 12.066 -3.922 1.00 0.00 N ATOM 1061 CA GLN A 73 1.800 12.891 -2.778 1.00 0.00 C ATOM 1062 C GLN A 73 0.857 14.091 -2.680 1.00 0.00 C ATOM 1063 O GLN A 73 0.827 14.937 -3.572 1.00 0.00 O ATOM 1064 CB GLN A 73 3.259 13.345 -2.857 1.00 0.00 C ATOM 1065 CG GLN A 73 3.538 14.471 -1.859 1.00 0.00 C ATOM 1066 CD GLN A 73 5.042 14.686 -1.681 1.00 0.00 C ATOM 1067 OE1 GLN A 73 5.827 13.753 -1.630 1.00 0.00 O ATOM 1068 NE2 GLN A 73 5.399 15.964 -1.589 1.00 0.00 N ATOM 0 H GLN A 73 2.061 12.175 -4.730 1.00 0.00 H new ATOM 0 HA GLN A 73 1.689 12.292 -1.874 1.00 0.00 H new ATOM 0 HB2 GLN A 73 3.918 12.501 -2.652 1.00 0.00 H new ATOM 0 HB3 GLN A 73 3.483 13.686 -3.868 1.00 0.00 H new ATOM 0 HG2 GLN A 73 3.074 15.394 -2.207 1.00 0.00 H new ATOM 0 HG3 GLN A 73 3.085 14.230 -0.897 1.00 0.00 H new ATOM 0 HE21 GLN A 73 4.691 16.696 -1.639 1.00 0.00 H new ATOM 0 HE22 GLN A 73 6.381 16.212 -1.468 1.00 0.00 H new ATOM 1077 N LEU A 74 0.109 14.127 -1.586 1.00 0.00 N ATOM 1078 CA LEU A 74 -0.832 15.210 -1.359 1.00 0.00 C ATOM 1079 C LEU A 74 -0.356 16.055 -0.176 1.00 0.00 C ATOM 1080 O LEU A 74 -1.004 17.033 0.194 1.00 0.00 O ATOM 1081 CB LEU A 74 -2.250 14.660 -1.191 1.00 0.00 C ATOM 1082 CG LEU A 74 -2.549 13.343 -1.910 1.00 0.00 C ATOM 1083 CD1 LEU A 74 -3.421 12.431 -1.044 1.00 0.00 C ATOM 1084 CD2 LEU A 74 -3.173 13.598 -3.283 1.00 0.00 C ATOM 0 H LEU A 74 0.136 13.424 -0.848 1.00 0.00 H new ATOM 0 HA LEU A 74 -0.871 15.869 -2.226 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -2.441 14.521 -0.127 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -2.954 15.412 -1.546 1.00 0.00 H new ATOM 0 HG LEU A 74 -1.606 12.823 -2.077 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -3.619 11.502 -1.579 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -2.902 12.210 -0.111 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -4.364 12.931 -0.824 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -3.376 12.646 -3.773 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -4.105 14.150 -3.162 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -2.483 14.181 -3.894 1.00 0.00 H new ATOM 1096 N GLY A 75 0.773 15.647 0.384 1.00 0.00 N ATOM 1097 CA GLY A 75 1.344 16.355 1.518 1.00 0.00 C ATOM 1098 C GLY A 75 2.411 17.352 1.061 1.00 0.00 C ATOM 1099 O GLY A 75 2.304 17.929 -0.019 1.00 0.00 O ATOM 0 H GLY A 75 1.308 14.836 0.074 1.00 0.00 H new ATOM 0 HA2 GLY A 75 0.556 16.881 2.057 1.00 0.00 H new ATOM 0 HA3 GLY A 75 1.783 15.640 2.214 1.00 0.00 H new ATOM 1103 N VAL A 76 3.416 17.523 1.907 1.00 0.00 N ATOM 1104 CA VAL A 76 4.502 18.440 1.604 1.00 0.00 C ATOM 1105 C VAL A 76 5.819 17.664 1.548 1.00 0.00 C ATOM 1106 O VAL A 76 6.618 17.855 0.633 1.00 0.00 O ATOM 1107 CB VAL A 76 4.523 19.581 2.623 1.00 0.00 C ATOM 1108 CG1 VAL A 76 4.169 19.072 4.023 1.00 0.00 C ATOM 1109 CG2 VAL A 76 5.878 20.290 2.624 1.00 0.00 C ATOM 0 H VAL A 76 3.501 17.042 2.802 1.00 0.00 H new ATOM 0 HA VAL A 76 4.353 18.898 0.626 1.00 0.00 H new ATOM 0 HB VAL A 76 3.765 20.307 2.329 1.00 0.00 H new ATOM 0 HG11 VAL A 76 4.191 19.903 4.728 1.00 0.00 H new ATOM 0 HG12 VAL A 76 3.171 18.634 4.009 1.00 0.00 H new ATOM 0 HG13 VAL A 76 4.893 18.317 4.329 1.00 0.00 H new ATOM 0 HG21 VAL A 76 5.866 21.097 3.357 1.00 0.00 H new ATOM 0 HG22 VAL A 76 6.661 19.577 2.882 1.00 0.00 H new ATOM 0 HG23 VAL A 76 6.074 20.702 1.634 1.00 0.00 H new ATOM 1119 N ASN A 77 6.005 16.804 2.539 1.00 0.00 N ATOM 1120 CA ASN A 77 7.211 15.998 2.614 1.00 0.00 C ATOM 1121 C ASN A 77 7.299 15.102 1.377 1.00 0.00 C ATOM 1122 O ASN A 77 6.298 14.531 0.947 1.00 0.00 O ATOM 1123 CB ASN A 77 7.195 15.096 3.850 1.00 0.00 C ATOM 1124 CG ASN A 77 6.593 15.825 5.053 1.00 0.00 C ATOM 1125 OD1 ASN A 77 5.388 15.924 5.213 1.00 0.00 O ATOM 1126 ND2 ASN A 77 7.498 16.328 5.888 1.00 0.00 N ATOM 0 H ASN A 77 5.340 16.648 3.297 1.00 0.00 H new ATOM 0 HA ASN A 77 8.064 16.674 2.671 1.00 0.00 H new ATOM 0 HB2 ASN A 77 6.618 14.195 3.640 1.00 0.00 H new ATOM 0 HB3 ASN A 77 8.210 14.777 4.085 1.00 0.00 H new ATOM 0 HD21 ASN A 77 7.198 16.833 6.722 1.00 0.00 H new ATOM 0 HD22 ASN A 77 8.492 16.209 5.694 1.00 0.00 H new ATOM 1133 N PRO A 78 8.538 15.005 0.825 1.00 0.00 N ATOM 1134 CA PRO A 78 8.770 14.188 -0.355 1.00 0.00 C ATOM 1135 C PRO A 78 8.773 12.700 0.000 1.00 0.00 C ATOM 1136 O PRO A 78 9.525 12.268 0.873 1.00 0.00 O ATOM 1137 CB PRO A 78 10.100 14.669 -0.911 1.00 0.00 C ATOM 1138 CG PRO A 78 10.785 15.408 0.228 1.00 0.00 C ATOM 1139 CD PRO A 78 9.747 15.666 1.307 1.00 0.00 C ATOM 0 HA PRO A 78 7.981 14.292 -1.100 1.00 0.00 H new ATOM 0 HB2 PRO A 78 10.707 13.830 -1.253 1.00 0.00 H new ATOM 0 HB3 PRO A 78 9.951 15.325 -1.768 1.00 0.00 H new ATOM 0 HG2 PRO A 78 11.610 14.816 0.625 1.00 0.00 H new ATOM 0 HG3 PRO A 78 11.209 16.348 -0.127 1.00 0.00 H new ATOM 0 HD2 PRO A 78 10.065 15.259 2.267 1.00 0.00 H new ATOM 0 HD3 PRO A 78 9.583 16.734 1.452 1.00 0.00 H new ATOM 1147 N SER A 79 7.925 11.957 -0.695 1.00 0.00 N ATOM 1148 CA SER A 79 7.820 10.526 -0.463 1.00 0.00 C ATOM 1149 C SER A 79 8.705 9.770 -1.456 1.00 0.00 C ATOM 1150 O SER A 79 9.064 10.303 -2.505 1.00 0.00 O ATOM 1151 CB SER A 79 6.370 10.054 -0.579 1.00 0.00 C ATOM 1152 OG SER A 79 5.637 10.283 0.621 1.00 0.00 O ATOM 0 H SER A 79 7.304 12.319 -1.419 1.00 0.00 H new ATOM 0 HA SER A 79 8.161 10.318 0.551 1.00 0.00 H new ATOM 0 HB2 SER A 79 5.885 10.574 -1.405 1.00 0.00 H new ATOM 0 HB3 SER A 79 6.353 8.990 -0.817 1.00 0.00 H new ATOM 0 HG SER A 79 6.125 9.901 1.380 1.00 0.00 H new ATOM 1158 N THR A 80 9.032 8.539 -1.090 1.00 0.00 N ATOM 1159 CA THR A 80 9.868 7.704 -1.936 1.00 0.00 C ATOM 1160 C THR A 80 9.143 6.403 -2.285 1.00 0.00 C ATOM 1161 O THR A 80 8.725 5.663 -1.396 1.00 0.00 O ATOM 1162 CB THR A 80 11.199 7.483 -1.214 1.00 0.00 C ATOM 1163 OG1 THR A 80 11.761 8.789 -1.114 1.00 0.00 O ATOM 1164 CG2 THR A 80 12.206 6.708 -2.066 1.00 0.00 C ATOM 0 H THR A 80 8.733 8.100 -0.219 1.00 0.00 H new ATOM 0 HA THR A 80 10.075 8.189 -2.890 1.00 0.00 H new ATOM 0 HB THR A 80 11.022 6.945 -0.283 1.00 0.00 H new ATOM 0 HG1 THR A 80 12.626 8.739 -0.656 1.00 0.00 H new ATOM 0 HG21 THR A 80 13.133 6.579 -1.507 1.00 0.00 H new ATOM 0 HG22 THR A 80 11.794 5.730 -2.317 1.00 0.00 H new ATOM 0 HG23 THR A 80 12.410 7.262 -2.982 1.00 0.00 H new ATOM 1172 N VAL A 81 9.016 6.164 -3.582 1.00 0.00 N ATOM 1173 CA VAL A 81 8.348 4.965 -4.060 1.00 0.00 C ATOM 1174 C VAL A 81 9.399 3.929 -4.466 1.00 0.00 C ATOM 1175 O VAL A 81 9.805 3.874 -5.625 1.00 0.00 O ATOM 1176 CB VAL A 81 7.387 5.319 -5.196 1.00 0.00 C ATOM 1177 CG1 VAL A 81 6.849 4.056 -5.872 1.00 0.00 C ATOM 1178 CG2 VAL A 81 6.243 6.201 -4.692 1.00 0.00 C ATOM 0 H VAL A 81 9.364 6.780 -4.317 1.00 0.00 H new ATOM 0 HA VAL A 81 7.744 4.522 -3.268 1.00 0.00 H new ATOM 0 HB VAL A 81 7.944 5.887 -5.941 1.00 0.00 H new ATOM 0 HG11 VAL A 81 6.168 4.336 -6.676 1.00 0.00 H new ATOM 0 HG12 VAL A 81 7.679 3.481 -6.283 1.00 0.00 H new ATOM 0 HG13 VAL A 81 6.316 3.450 -5.139 1.00 0.00 H new ATOM 0 HG21 VAL A 81 5.574 6.438 -5.520 1.00 0.00 H new ATOM 0 HG22 VAL A 81 5.688 5.670 -3.918 1.00 0.00 H new ATOM 0 HG23 VAL A 81 6.650 7.124 -4.279 1.00 0.00 H new ATOM 1188 N GLY A 82 9.808 3.134 -3.488 1.00 0.00 N ATOM 1189 CA GLY A 82 10.803 2.103 -3.730 1.00 0.00 C ATOM 1190 C GLY A 82 12.219 2.661 -3.577 1.00 0.00 C ATOM 1191 O GLY A 82 12.768 2.678 -2.476 1.00 0.00 O ATOM 0 H GLY A 82 9.469 3.183 -2.527 1.00 0.00 H new ATOM 0 HA2 GLY A 82 10.656 1.279 -3.032 1.00 0.00 H new ATOM 0 HA3 GLY A 82 10.675 1.697 -4.733 1.00 0.00 H new ATOM 1195 N VAL A 83 12.770 3.104 -4.698 1.00 0.00 N ATOM 1196 CA VAL A 83 14.112 3.661 -4.702 1.00 0.00 C ATOM 1197 C VAL A 83 14.106 4.987 -5.465 1.00 0.00 C ATOM 1198 O VAL A 83 15.153 5.456 -5.910 1.00 0.00 O ATOM 1199 CB VAL A 83 15.099 2.644 -5.279 1.00 0.00 C ATOM 1200 CG1 VAL A 83 14.882 2.460 -6.782 1.00 0.00 C ATOM 1201 CG2 VAL A 83 16.544 3.052 -4.980 1.00 0.00 C ATOM 0 H VAL A 83 12.312 3.088 -5.609 1.00 0.00 H new ATOM 0 HA VAL A 83 14.441 3.872 -3.685 1.00 0.00 H new ATOM 0 HB VAL A 83 14.913 1.686 -4.794 1.00 0.00 H new ATOM 0 HG11 VAL A 83 15.597 1.732 -7.166 1.00 0.00 H new ATOM 0 HG12 VAL A 83 13.868 2.103 -6.962 1.00 0.00 H new ATOM 0 HG13 VAL A 83 15.027 3.414 -7.290 1.00 0.00 H new ATOM 0 HG21 VAL A 83 17.225 2.313 -5.401 1.00 0.00 H new ATOM 0 HG22 VAL A 83 16.746 4.026 -5.425 1.00 0.00 H new ATOM 0 HG23 VAL A 83 16.691 3.108 -3.901 1.00 0.00 H new ATOM 1211 N GLN A 84 12.916 5.555 -5.592 1.00 0.00 N ATOM 1212 CA GLN A 84 12.760 6.818 -6.293 1.00 0.00 C ATOM 1213 C GLN A 84 12.062 7.841 -5.394 1.00 0.00 C ATOM 1214 O GLN A 84 11.190 7.485 -4.603 1.00 0.00 O ATOM 1215 CB GLN A 84 11.994 6.627 -7.603 1.00 0.00 C ATOM 1216 CG GLN A 84 11.580 7.974 -8.199 1.00 0.00 C ATOM 1217 CD GLN A 84 11.536 7.908 -9.727 1.00 0.00 C ATOM 1218 OE1 GLN A 84 11.626 6.852 -10.331 1.00 0.00 O ATOM 1219 NE2 GLN A 84 11.393 9.092 -10.315 1.00 0.00 N ATOM 0 H GLN A 84 12.050 5.164 -5.221 1.00 0.00 H new ATOM 0 HA GLN A 84 13.751 7.198 -6.542 1.00 0.00 H new ATOM 0 HB2 GLN A 84 12.616 6.086 -8.316 1.00 0.00 H new ATOM 0 HB3 GLN A 84 11.109 6.017 -7.425 1.00 0.00 H new ATOM 0 HG2 GLN A 84 10.600 8.260 -7.816 1.00 0.00 H new ATOM 0 HG3 GLN A 84 12.283 8.746 -7.885 1.00 0.00 H new ATOM 0 HE21 GLN A 84 11.324 9.938 -9.749 1.00 0.00 H new ATOM 0 HE22 GLN A 84 11.353 9.155 -11.332 1.00 0.00 H new ATOM 1228 N GLU A 85 12.472 9.092 -5.547 1.00 0.00 N ATOM 1229 CA GLU A 85 11.897 10.169 -4.759 1.00 0.00 C ATOM 1230 C GLU A 85 10.730 10.812 -5.511 1.00 0.00 C ATOM 1231 O GLU A 85 10.779 10.960 -6.731 1.00 0.00 O ATOM 1232 CB GLU A 85 12.958 11.212 -4.400 1.00 0.00 C ATOM 1233 CG GLU A 85 12.318 12.449 -3.767 1.00 0.00 C ATOM 1234 CD GLU A 85 13.339 13.579 -3.618 1.00 0.00 C ATOM 1235 OE1 GLU A 85 13.642 14.211 -4.653 1.00 0.00 O ATOM 1236 OE2 GLU A 85 13.794 13.784 -2.472 1.00 0.00 O ATOM 0 H GLU A 85 13.195 9.383 -6.205 1.00 0.00 H new ATOM 0 HA GLU A 85 11.517 9.749 -3.828 1.00 0.00 H new ATOM 0 HB2 GLU A 85 13.681 10.778 -3.709 1.00 0.00 H new ATOM 0 HB3 GLU A 85 13.507 11.501 -5.296 1.00 0.00 H new ATOM 0 HG2 GLU A 85 11.484 12.786 -4.382 1.00 0.00 H new ATOM 0 HG3 GLU A 85 11.910 12.192 -2.790 1.00 0.00 H new ATOM 1243 N LEU A 86 9.707 11.175 -4.751 1.00 0.00 N ATOM 1244 CA LEU A 86 8.529 11.799 -5.329 1.00 0.00 C ATOM 1245 C LEU A 86 8.561 13.302 -5.047 1.00 0.00 C ATOM 1246 O LEU A 86 9.555 13.820 -4.539 1.00 0.00 O ATOM 1247 CB LEU A 86 7.258 11.107 -4.832 1.00 0.00 C ATOM 1248 CG LEU A 86 6.881 9.806 -5.544 1.00 0.00 C ATOM 1249 CD1 LEU A 86 5.451 9.386 -5.197 1.00 0.00 C ATOM 1250 CD2 LEU A 86 7.093 9.925 -7.054 1.00 0.00 C ATOM 0 H LEU A 86 9.670 11.049 -3.740 1.00 0.00 H new ATOM 0 HA LEU A 86 8.528 11.678 -6.412 1.00 0.00 H new ATOM 0 HB2 LEU A 86 7.375 10.896 -3.769 1.00 0.00 H new ATOM 0 HB3 LEU A 86 6.426 11.805 -4.929 1.00 0.00 H new ATOM 0 HG LEU A 86 7.544 9.018 -5.188 1.00 0.00 H new ATOM 0 HD11 LEU A 86 5.208 8.459 -5.716 1.00 0.00 H new ATOM 0 HD12 LEU A 86 5.368 9.232 -4.121 1.00 0.00 H new ATOM 0 HD13 LEU A 86 4.757 10.167 -5.507 1.00 0.00 H new ATOM 0 HD21 LEU A 86 6.817 8.987 -7.535 1.00 0.00 H new ATOM 0 HD22 LEU A 86 6.472 10.730 -7.446 1.00 0.00 H new ATOM 0 HD23 LEU A 86 8.141 10.143 -7.258 1.00 0.00 H new ATOM 1262 N LYS A 87 7.463 13.960 -5.388 1.00 0.00 N ATOM 1263 CA LYS A 87 7.353 15.393 -5.177 1.00 0.00 C ATOM 1264 C LYS A 87 5.917 15.737 -4.780 1.00 0.00 C ATOM 1265 O LYS A 87 5.034 14.881 -4.824 1.00 0.00 O ATOM 1266 CB LYS A 87 7.851 16.155 -6.407 1.00 0.00 C ATOM 1267 CG LYS A 87 9.217 16.791 -6.143 1.00 0.00 C ATOM 1268 CD LYS A 87 9.907 17.172 -7.454 1.00 0.00 C ATOM 1269 CE LYS A 87 9.617 18.628 -7.824 1.00 0.00 C ATOM 1270 NZ LYS A 87 10.482 19.542 -7.045 1.00 0.00 N ATOM 0 H LYS A 87 6.641 13.527 -5.809 1.00 0.00 H new ATOM 0 HA LYS A 87 7.995 15.708 -4.354 1.00 0.00 H new ATOM 0 HB2 LYS A 87 7.920 15.476 -7.256 1.00 0.00 H new ATOM 0 HB3 LYS A 87 7.132 16.929 -6.676 1.00 0.00 H new ATOM 0 HG2 LYS A 87 9.095 17.678 -5.521 1.00 0.00 H new ATOM 0 HG3 LYS A 87 9.845 16.095 -5.586 1.00 0.00 H new ATOM 0 HD2 LYS A 87 10.983 17.025 -7.359 1.00 0.00 H new ATOM 0 HD3 LYS A 87 9.565 16.515 -8.253 1.00 0.00 H new ATOM 0 HE2 LYS A 87 9.785 18.779 -8.890 1.00 0.00 H new ATOM 0 HE3 LYS A 87 8.569 18.857 -7.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 10.273 20.526 -7.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 10.302 19.409 -6.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 11.480 19.334 -7.250 1.00 0.00 H new ATOM 1284 N PRO A 88 5.721 17.026 -4.390 1.00 0.00 N ATOM 1285 CA PRO A 88 4.406 17.494 -3.986 1.00 0.00 C ATOM 1286 C PRO A 88 3.495 17.686 -5.199 1.00 0.00 C ATOM 1287 O PRO A 88 3.735 18.562 -6.028 1.00 0.00 O ATOM 1288 CB PRO A 88 4.665 18.785 -3.227 1.00 0.00 C ATOM 1289 CG PRO A 88 6.059 19.234 -3.632 1.00 0.00 C ATOM 1290 CD PRO A 88 6.742 18.067 -4.326 1.00 0.00 C ATOM 0 HA PRO A 88 3.879 16.776 -3.357 1.00 0.00 H new ATOM 0 HB2 PRO A 88 3.922 19.542 -3.479 1.00 0.00 H new ATOM 0 HB3 PRO A 88 4.604 18.624 -2.151 1.00 0.00 H new ATOM 0 HG2 PRO A 88 6.004 20.095 -4.298 1.00 0.00 H new ATOM 0 HG3 PRO A 88 6.629 19.544 -2.757 1.00 0.00 H new ATOM 0 HD2 PRO A 88 7.087 18.345 -5.322 1.00 0.00 H new ATOM 0 HD3 PRO A 88 7.616 17.731 -3.768 1.00 0.00 H new ATOM 1298 N GLY A 89 2.468 16.851 -5.266 1.00 0.00 N ATOM 1299 CA GLY A 89 1.519 16.918 -6.364 1.00 0.00 C ATOM 1300 C GLY A 89 1.862 15.894 -7.448 1.00 0.00 C ATOM 1301 O GLY A 89 1.178 15.810 -8.467 1.00 0.00 O ATOM 0 H GLY A 89 2.273 16.124 -4.577 1.00 0.00 H new ATOM 0 HA2 GLY A 89 0.512 16.734 -5.991 1.00 0.00 H new ATOM 0 HA3 GLY A 89 1.522 17.921 -6.792 1.00 0.00 H new ATOM 1305 N LEU A 90 2.921 15.140 -7.191 1.00 0.00 N ATOM 1306 CA LEU A 90 3.362 14.124 -8.132 1.00 0.00 C ATOM 1307 C LEU A 90 2.547 12.847 -7.917 1.00 0.00 C ATOM 1308 O LEU A 90 1.660 12.808 -7.066 1.00 0.00 O ATOM 1309 CB LEU A 90 4.874 13.914 -8.023 1.00 0.00 C ATOM 1310 CG LEU A 90 5.605 13.606 -9.331 1.00 0.00 C ATOM 1311 CD1 LEU A 90 5.085 14.486 -10.470 1.00 0.00 C ATOM 1312 CD2 LEU A 90 7.119 13.730 -9.156 1.00 0.00 C ATOM 0 H LEU A 90 3.486 15.212 -6.345 1.00 0.00 H new ATOM 0 HA LEU A 90 3.181 14.449 -9.156 1.00 0.00 H new ATOM 0 HB2 LEU A 90 5.315 14.810 -7.586 1.00 0.00 H new ATOM 0 HB3 LEU A 90 5.058 13.096 -7.326 1.00 0.00 H new ATOM 0 HG LEU A 90 5.397 12.571 -9.603 1.00 0.00 H new ATOM 0 HD11 LEU A 90 5.621 14.247 -11.388 1.00 0.00 H new ATOM 0 HD12 LEU A 90 4.020 14.304 -10.614 1.00 0.00 H new ATOM 0 HD13 LEU A 90 5.243 15.535 -10.220 1.00 0.00 H new ATOM 0 HD21 LEU A 90 7.614 13.506 -10.101 1.00 0.00 H new ATOM 0 HD22 LEU A 90 7.368 14.746 -8.848 1.00 0.00 H new ATOM 0 HD23 LEU A 90 7.456 13.027 -8.394 1.00 0.00 H new ATOM 1324 N SER A 91 2.877 11.834 -8.704 1.00 0.00 N ATOM 1325 CA SER A 91 2.186 10.559 -8.612 1.00 0.00 C ATOM 1326 C SER A 91 3.060 9.447 -9.197 1.00 0.00 C ATOM 1327 O SER A 91 3.744 9.652 -10.198 1.00 0.00 O ATOM 1328 CB SER A 91 0.838 10.609 -9.332 1.00 0.00 C ATOM 1329 OG SER A 91 0.565 11.902 -9.865 1.00 0.00 O ATOM 0 H SER A 91 3.614 11.870 -9.408 1.00 0.00 H new ATOM 0 HA SER A 91 1.997 10.348 -7.560 1.00 0.00 H new ATOM 0 HB2 SER A 91 0.830 9.876 -10.138 1.00 0.00 H new ATOM 0 HB3 SER A 91 0.046 10.328 -8.638 1.00 0.00 H new ATOM 0 HG SER A 91 -0.304 11.892 -10.318 1.00 0.00 H new ATOM 1335 N GLY A 92 3.007 8.293 -8.547 1.00 0.00 N ATOM 1336 CA GLY A 92 3.785 7.149 -8.991 1.00 0.00 C ATOM 1337 C GLY A 92 2.990 5.851 -8.832 1.00 0.00 C ATOM 1338 O GLY A 92 1.784 5.883 -8.592 1.00 0.00 O ATOM 0 H GLY A 92 2.438 8.126 -7.717 1.00 0.00 H new ATOM 0 HA2 GLY A 92 4.069 7.281 -10.035 1.00 0.00 H new ATOM 0 HA3 GLY A 92 4.709 7.087 -8.415 1.00 0.00 H new ATOM 1342 N SER A 93 3.698 4.740 -8.971 1.00 0.00 N ATOM 1343 CA SER A 93 3.074 3.434 -8.846 1.00 0.00 C ATOM 1344 C SER A 93 3.927 2.530 -7.954 1.00 0.00 C ATOM 1345 O SER A 93 5.138 2.719 -7.850 1.00 0.00 O ATOM 1346 CB SER A 93 2.871 2.787 -10.217 1.00 0.00 C ATOM 1347 OG SER A 93 4.104 2.591 -10.904 1.00 0.00 O ATOM 0 H SER A 93 4.698 4.717 -9.169 1.00 0.00 H new ATOM 0 HA SER A 93 2.094 3.566 -8.388 1.00 0.00 H new ATOM 0 HB2 SER A 93 2.368 1.828 -10.094 1.00 0.00 H new ATOM 0 HB3 SER A 93 2.216 3.415 -10.821 1.00 0.00 H new ATOM 0 HG SER A 93 3.931 2.174 -11.774 1.00 0.00 H new ATOM 1353 N LEU A 94 3.262 1.567 -7.332 1.00 0.00 N ATOM 1354 CA LEU A 94 3.944 0.634 -6.452 1.00 0.00 C ATOM 1355 C LEU A 94 3.618 -0.798 -6.884 1.00 0.00 C ATOM 1356 O LEU A 94 2.450 -1.163 -7.004 1.00 0.00 O ATOM 1357 CB LEU A 94 3.602 0.928 -4.990 1.00 0.00 C ATOM 1358 CG LEU A 94 4.769 1.369 -4.104 1.00 0.00 C ATOM 1359 CD1 LEU A 94 4.577 2.808 -3.620 1.00 0.00 C ATOM 1360 CD2 LEU A 94 4.973 0.395 -2.942 1.00 0.00 C ATOM 0 H LEU A 94 2.258 1.413 -7.420 1.00 0.00 H new ATOM 0 HA LEU A 94 5.024 0.754 -6.533 1.00 0.00 H new ATOM 0 HB2 LEU A 94 2.839 1.706 -4.965 1.00 0.00 H new ATOM 0 HB3 LEU A 94 3.159 0.033 -4.554 1.00 0.00 H new ATOM 0 HG LEU A 94 5.679 1.350 -4.703 1.00 0.00 H new ATOM 0 HD11 LEU A 94 5.420 3.096 -2.992 1.00 0.00 H new ATOM 0 HD12 LEU A 94 4.519 3.476 -4.479 1.00 0.00 H new ATOM 0 HD13 LEU A 94 3.655 2.878 -3.043 1.00 0.00 H new ATOM 0 HD21 LEU A 94 5.808 0.731 -2.328 1.00 0.00 H new ATOM 0 HD22 LEU A 94 4.068 0.358 -2.335 1.00 0.00 H new ATOM 0 HD23 LEU A 94 5.188 -0.599 -3.334 1.00 0.00 H new ATOM 1372 N SER A 95 4.672 -1.569 -7.105 1.00 0.00 N ATOM 1373 CA SER A 95 4.513 -2.952 -7.520 1.00 0.00 C ATOM 1374 C SER A 95 4.467 -3.865 -6.294 1.00 0.00 C ATOM 1375 O SER A 95 4.942 -3.495 -5.221 1.00 0.00 O ATOM 1376 CB SER A 95 5.644 -3.380 -8.457 1.00 0.00 C ATOM 1377 OG SER A 95 5.958 -2.369 -9.411 1.00 0.00 O ATOM 0 H SER A 95 5.640 -1.262 -7.005 1.00 0.00 H new ATOM 0 HA SER A 95 3.573 -3.038 -8.065 1.00 0.00 H new ATOM 0 HB2 SER A 95 6.532 -3.613 -7.870 1.00 0.00 H new ATOM 0 HB3 SER A 95 5.357 -4.294 -8.978 1.00 0.00 H new ATOM 0 HG SER A 95 6.686 -2.680 -9.989 1.00 0.00 H new ATOM 1383 N LEU A 96 3.889 -5.041 -6.492 1.00 0.00 N ATOM 1384 CA LEU A 96 3.774 -6.010 -5.415 1.00 0.00 C ATOM 1385 C LEU A 96 5.163 -6.293 -4.839 1.00 0.00 C ATOM 1386 O LEU A 96 5.954 -7.015 -5.444 1.00 0.00 O ATOM 1387 CB LEU A 96 3.041 -7.263 -5.897 1.00 0.00 C ATOM 1388 CG LEU A 96 1.592 -7.414 -5.431 1.00 0.00 C ATOM 1389 CD1 LEU A 96 0.894 -8.557 -6.170 1.00 0.00 C ATOM 1390 CD2 LEU A 96 1.520 -7.585 -3.912 1.00 0.00 C ATOM 0 H LEU A 96 3.495 -5.345 -7.383 1.00 0.00 H new ATOM 0 HA LEU A 96 3.168 -5.607 -4.604 1.00 0.00 H new ATOM 0 HB2 LEU A 96 3.054 -7.270 -6.987 1.00 0.00 H new ATOM 0 HB3 LEU A 96 3.601 -8.137 -5.566 1.00 0.00 H new ATOM 0 HG LEU A 96 1.057 -6.497 -5.678 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -0.135 -8.642 -5.820 1.00 0.00 H new ATOM 0 HD12 LEU A 96 0.897 -8.353 -7.241 1.00 0.00 H new ATOM 0 HD13 LEU A 96 1.422 -9.491 -5.977 1.00 0.00 H new ATOM 0 HD21 LEU A 96 0.479 -7.690 -3.607 1.00 0.00 H new ATOM 0 HD22 LEU A 96 2.076 -8.476 -3.619 1.00 0.00 H new ATOM 0 HD23 LEU A 96 1.954 -6.711 -3.426 1.00 0.00 H new ATOM 1402 N GLY A 97 5.418 -5.709 -3.677 1.00 0.00 N ATOM 1403 CA GLY A 97 6.697 -5.890 -3.013 1.00 0.00 C ATOM 1404 C GLY A 97 7.417 -4.551 -2.838 1.00 0.00 C ATOM 1405 O GLY A 97 8.255 -4.405 -1.949 1.00 0.00 O ATOM 0 H GLY A 97 4.760 -5.110 -3.179 1.00 0.00 H new ATOM 0 HA2 GLY A 97 6.543 -6.354 -2.039 1.00 0.00 H new ATOM 0 HA3 GLY A 97 7.320 -6.569 -3.595 1.00 0.00 H new ATOM 1409 N ASP A 98 7.065 -3.608 -3.699 1.00 0.00 N ATOM 1410 CA ASP A 98 7.667 -2.287 -3.650 1.00 0.00 C ATOM 1411 C ASP A 98 7.362 -1.642 -2.296 1.00 0.00 C ATOM 1412 O ASP A 98 6.341 -1.941 -1.678 1.00 0.00 O ATOM 1413 CB ASP A 98 7.097 -1.381 -4.744 1.00 0.00 C ATOM 1414 CG ASP A 98 7.793 -1.491 -6.102 1.00 0.00 C ATOM 1415 OD1 ASP A 98 8.392 -2.561 -6.348 1.00 0.00 O ATOM 1416 OD2 ASP A 98 7.712 -0.503 -6.863 1.00 0.00 O ATOM 0 H ASP A 98 6.370 -3.733 -4.435 1.00 0.00 H new ATOM 0 HA ASP A 98 8.741 -2.400 -3.798 1.00 0.00 H new ATOM 0 HB2 ASP A 98 6.040 -1.614 -4.874 1.00 0.00 H new ATOM 0 HB3 ASP A 98 7.156 -0.347 -4.405 1.00 0.00 H new ATOM 1421 N VAL A 99 8.265 -0.769 -1.876 1.00 0.00 N ATOM 1422 CA VAL A 99 8.106 -0.080 -0.607 1.00 0.00 C ATOM 1423 C VAL A 99 7.591 1.338 -0.863 1.00 0.00 C ATOM 1424 O VAL A 99 7.686 1.844 -1.980 1.00 0.00 O ATOM 1425 CB VAL A 99 9.422 -0.106 0.173 1.00 0.00 C ATOM 1426 CG1 VAL A 99 9.259 0.544 1.548 1.00 0.00 C ATOM 1427 CG2 VAL A 99 9.955 -1.535 0.301 1.00 0.00 C ATOM 0 H VAL A 99 9.110 -0.523 -2.392 1.00 0.00 H new ATOM 0 HA VAL A 99 7.367 -0.588 0.013 1.00 0.00 H new ATOM 0 HB VAL A 99 10.154 0.476 -0.387 1.00 0.00 H new ATOM 0 HG11 VAL A 99 10.209 0.512 2.081 1.00 0.00 H new ATOM 0 HG12 VAL A 99 8.947 1.581 1.425 1.00 0.00 H new ATOM 0 HG13 VAL A 99 8.504 0.003 2.119 1.00 0.00 H new ATOM 0 HG21 VAL A 99 10.891 -1.526 0.859 1.00 0.00 H new ATOM 0 HG22 VAL A 99 9.225 -2.150 0.827 1.00 0.00 H new ATOM 0 HG23 VAL A 99 10.129 -1.949 -0.692 1.00 0.00 H new ATOM 1437 N LEU A 100 7.059 1.940 0.191 1.00 0.00 N ATOM 1438 CA LEU A 100 6.529 3.289 0.094 1.00 0.00 C ATOM 1439 C LEU A 100 6.826 4.043 1.392 1.00 0.00 C ATOM 1440 O LEU A 100 5.987 4.096 2.290 1.00 0.00 O ATOM 1441 CB LEU A 100 5.044 3.257 -0.272 1.00 0.00 C ATOM 1442 CG LEU A 100 4.332 4.611 -0.306 1.00 0.00 C ATOM 1443 CD1 LEU A 100 4.947 5.528 -1.365 1.00 0.00 C ATOM 1444 CD2 LEU A 100 2.826 4.433 -0.506 1.00 0.00 C ATOM 0 H LEU A 100 6.984 1.518 1.116 1.00 0.00 H new ATOM 0 HA LEU A 100 7.020 3.834 -0.712 1.00 0.00 H new ATOM 0 HB2 LEU A 100 4.942 2.790 -1.252 1.00 0.00 H new ATOM 0 HB3 LEU A 100 4.528 2.615 0.442 1.00 0.00 H new ATOM 0 HG LEU A 100 4.473 5.096 0.660 1.00 0.00 H new ATOM 0 HD11 LEU A 100 4.422 6.483 -1.368 1.00 0.00 H new ATOM 0 HD12 LEU A 100 6.000 5.693 -1.136 1.00 0.00 H new ATOM 0 HD13 LEU A 100 4.858 5.062 -2.346 1.00 0.00 H new ATOM 0 HD21 LEU A 100 2.344 5.410 -0.526 1.00 0.00 H new ATOM 0 HD22 LEU A 100 2.643 3.918 -1.449 1.00 0.00 H new ATOM 0 HD23 LEU A 100 2.417 3.844 0.315 1.00 0.00 H new ATOM 1456 N TYR A 101 8.023 4.608 1.450 1.00 0.00 N ATOM 1457 CA TYR A 101 8.441 5.357 2.623 1.00 0.00 C ATOM 1458 C TYR A 101 7.519 6.552 2.868 1.00 0.00 C ATOM 1459 O TYR A 101 7.644 7.583 2.209 1.00 0.00 O ATOM 1460 CB TYR A 101 9.850 5.869 2.316 1.00 0.00 C ATOM 1461 CG TYR A 101 10.889 4.762 2.133 1.00 0.00 C ATOM 1462 CD1 TYR A 101 11.475 4.176 3.236 1.00 0.00 C ATOM 1463 CD2 TYR A 101 11.241 4.348 0.864 1.00 0.00 C ATOM 1464 CE1 TYR A 101 12.453 3.133 3.064 1.00 0.00 C ATOM 1465 CE2 TYR A 101 12.219 3.306 0.691 1.00 0.00 C ATOM 1466 CZ TYR A 101 12.777 2.750 1.800 1.00 0.00 C ATOM 1467 OH TYR A 101 13.700 1.765 1.637 1.00 0.00 O ATOM 0 H TYR A 101 8.717 4.562 0.704 1.00 0.00 H new ATOM 0 HA TYR A 101 8.409 4.727 3.512 1.00 0.00 H new ATOM 0 HB2 TYR A 101 9.816 6.474 1.410 1.00 0.00 H new ATOM 0 HB3 TYR A 101 10.171 6.524 3.125 1.00 0.00 H new ATOM 0 HD1 TYR A 101 11.200 4.500 4.229 1.00 0.00 H new ATOM 0 HD2 TYR A 101 10.782 4.806 0.000 1.00 0.00 H new ATOM 0 HE1 TYR A 101 12.918 2.666 3.919 1.00 0.00 H new ATOM 0 HE2 TYR A 101 12.503 2.973 -0.296 1.00 0.00 H new ATOM 0 HH TYR A 101 13.831 1.595 0.681 1.00 0.00 H new ATOM 1477 N LEU A 102 6.612 6.375 3.818 1.00 0.00 N ATOM 1478 CA LEU A 102 5.669 7.426 4.158 1.00 0.00 C ATOM 1479 C LEU A 102 6.367 8.784 4.059 1.00 0.00 C ATOM 1480 O LEU A 102 5.954 9.643 3.282 1.00 0.00 O ATOM 1481 CB LEU A 102 5.037 7.157 5.526 1.00 0.00 C ATOM 1482 CG LEU A 102 3.536 6.864 5.525 1.00 0.00 C ATOM 1483 CD1 LEU A 102 3.242 5.504 6.161 1.00 0.00 C ATOM 1484 CD2 LEU A 102 2.756 7.993 6.203 1.00 0.00 C ATOM 0 H LEU A 102 6.511 5.519 4.363 1.00 0.00 H new ATOM 0 HA LEU A 102 4.842 7.440 3.448 1.00 0.00 H new ATOM 0 HB2 LEU A 102 5.552 6.311 5.982 1.00 0.00 H new ATOM 0 HB3 LEU A 102 5.218 8.022 6.164 1.00 0.00 H new ATOM 0 HG LEU A 102 3.199 6.816 4.490 1.00 0.00 H new ATOM 0 HD11 LEU A 102 2.168 5.321 6.147 1.00 0.00 H new ATOM 0 HD12 LEU A 102 3.751 4.721 5.598 1.00 0.00 H new ATOM 0 HD13 LEU A 102 3.598 5.500 7.191 1.00 0.00 H new ATOM 0 HD21 LEU A 102 1.691 7.759 6.189 1.00 0.00 H new ATOM 0 HD22 LEU A 102 3.091 8.098 7.235 1.00 0.00 H new ATOM 0 HD23 LEU A 102 2.930 8.927 5.669 1.00 0.00 H new ATOM 1496 N VAL A 103 7.414 8.934 4.858 1.00 0.00 N ATOM 1497 CA VAL A 103 8.173 10.173 4.870 1.00 0.00 C ATOM 1498 C VAL A 103 9.507 9.941 5.582 1.00 0.00 C ATOM 1499 O VAL A 103 9.698 8.913 6.231 1.00 0.00 O ATOM 1500 CB VAL A 103 7.343 11.290 5.505 1.00 0.00 C ATOM 1501 CG1 VAL A 103 6.772 10.849 6.854 1.00 0.00 C ATOM 1502 CG2 VAL A 103 8.166 12.571 5.650 1.00 0.00 C ATOM 0 H VAL A 103 7.754 8.219 5.501 1.00 0.00 H new ATOM 0 HA VAL A 103 8.398 10.493 3.853 1.00 0.00 H new ATOM 0 HB VAL A 103 6.506 11.504 4.841 1.00 0.00 H new ATOM 0 HG11 VAL A 103 6.186 11.661 7.284 1.00 0.00 H new ATOM 0 HG12 VAL A 103 6.134 9.977 6.711 1.00 0.00 H new ATOM 0 HG13 VAL A 103 7.589 10.594 7.529 1.00 0.00 H new ATOM 0 HG21 VAL A 103 7.552 13.349 6.104 1.00 0.00 H new ATOM 0 HG22 VAL A 103 9.032 12.377 6.283 1.00 0.00 H new ATOM 0 HG23 VAL A 103 8.501 12.901 4.667 1.00 0.00 H new ATOM 1512 N ASN A 104 10.396 10.913 5.438 1.00 0.00 N ATOM 1513 CA ASN A 104 11.706 10.827 6.059 1.00 0.00 C ATOM 1514 C ASN A 104 12.371 9.509 5.659 1.00 0.00 C ATOM 1515 O ASN A 104 13.207 8.983 6.393 1.00 0.00 O ATOM 1516 CB ASN A 104 11.595 10.857 7.585 1.00 0.00 C ATOM 1517 CG ASN A 104 12.558 11.884 8.185 1.00 0.00 C ATOM 1518 OD1 ASN A 104 13.758 11.678 8.261 1.00 0.00 O ATOM 1519 ND2 ASN A 104 11.967 12.998 8.606 1.00 0.00 N ATOM 0 H ASN A 104 10.234 11.764 4.900 1.00 0.00 H new ATOM 0 HA ASN A 104 12.295 11.681 5.723 1.00 0.00 H new ATOM 0 HB2 ASN A 104 10.572 11.100 7.874 1.00 0.00 H new ATOM 0 HB3 ASN A 104 11.814 9.868 7.989 1.00 0.00 H new ATOM 0 HD21 ASN A 104 12.524 13.744 9.022 1.00 0.00 H new ATOM 0 HD22 ASN A 104 10.957 13.106 8.513 1.00 0.00 H new ATOM 1526 N GLY A 105 11.975 9.012 4.496 1.00 0.00 N ATOM 1527 CA GLY A 105 12.521 7.765 3.990 1.00 0.00 C ATOM 1528 C GLY A 105 12.354 6.638 5.011 1.00 0.00 C ATOM 1529 O GLY A 105 13.019 5.607 4.918 1.00 0.00 O ATOM 0 H GLY A 105 11.282 9.451 3.890 1.00 0.00 H new ATOM 0 HA2 GLY A 105 12.020 7.495 3.060 1.00 0.00 H new ATOM 0 HA3 GLY A 105 13.578 7.895 3.756 1.00 0.00 H new ATOM 1533 N LEU A 106 11.463 6.873 5.963 1.00 0.00 N ATOM 1534 CA LEU A 106 11.200 5.890 7.000 1.00 0.00 C ATOM 1535 C LEU A 106 9.784 5.337 6.826 1.00 0.00 C ATOM 1536 O LEU A 106 9.127 5.608 5.822 1.00 0.00 O ATOM 1537 CB LEU A 106 11.459 6.490 8.384 1.00 0.00 C ATOM 1538 CG LEU A 106 12.921 6.793 8.720 1.00 0.00 C ATOM 1539 CD1 LEU A 106 13.030 7.590 10.021 1.00 0.00 C ATOM 1540 CD2 LEU A 106 13.752 5.510 8.762 1.00 0.00 C ATOM 0 H LEU A 106 10.914 7.730 6.038 1.00 0.00 H new ATOM 0 HA LEU A 106 11.885 5.047 6.909 1.00 0.00 H new ATOM 0 HB2 LEU A 106 10.888 7.414 8.470 1.00 0.00 H new ATOM 0 HB3 LEU A 106 11.069 5.803 9.135 1.00 0.00 H new ATOM 0 HG LEU A 106 13.332 7.416 7.925 1.00 0.00 H new ATOM 0 HD11 LEU A 106 14.079 7.792 10.237 1.00 0.00 H new ATOM 0 HD12 LEU A 106 12.493 8.533 9.916 1.00 0.00 H new ATOM 0 HD13 LEU A 106 12.596 7.014 10.838 1.00 0.00 H new ATOM 0 HD21 LEU A 106 14.787 5.754 9.003 1.00 0.00 H new ATOM 0 HD22 LEU A 106 13.350 4.841 9.523 1.00 0.00 H new ATOM 0 HD23 LEU A 106 13.712 5.019 7.790 1.00 0.00 H new ATOM 1552 N TYR A 107 9.356 4.572 7.819 1.00 0.00 N ATOM 1553 CA TYR A 107 8.030 3.978 7.788 1.00 0.00 C ATOM 1554 C TYR A 107 7.710 3.423 6.398 1.00 0.00 C ATOM 1555 O TYR A 107 6.770 3.874 5.747 1.00 0.00 O ATOM 1556 CB TYR A 107 7.053 5.111 8.108 1.00 0.00 C ATOM 1557 CG TYR A 107 7.501 6.011 9.261 1.00 0.00 C ATOM 1558 CD1 TYR A 107 7.713 5.473 10.515 1.00 0.00 C ATOM 1559 CD2 TYR A 107 7.693 7.361 9.048 1.00 0.00 C ATOM 1560 CE1 TYR A 107 8.134 6.321 11.600 1.00 0.00 C ATOM 1561 CE2 TYR A 107 8.115 8.208 10.133 1.00 0.00 C ATOM 1562 CZ TYR A 107 8.314 7.646 11.356 1.00 0.00 C ATOM 1563 OH TYR A 107 8.713 8.447 12.381 1.00 0.00 O ATOM 0 H TYR A 107 9.904 4.350 8.650 1.00 0.00 H new ATOM 0 HA TYR A 107 7.962 3.154 8.498 1.00 0.00 H new ATOM 0 HB2 TYR A 107 6.916 5.722 7.216 1.00 0.00 H new ATOM 0 HB3 TYR A 107 6.082 4.681 8.352 1.00 0.00 H new ATOM 0 HD1 TYR A 107 7.563 4.417 10.682 1.00 0.00 H new ATOM 0 HD2 TYR A 107 7.527 7.782 8.067 1.00 0.00 H new ATOM 0 HE1 TYR A 107 8.303 5.913 12.586 1.00 0.00 H new ATOM 0 HE2 TYR A 107 8.270 9.266 9.980 1.00 0.00 H new ATOM 0 HH TYR A 107 8.740 9.378 12.077 1.00 0.00 H new ATOM 1573 N PRO A 108 8.532 2.425 5.975 1.00 0.00 N ATOM 1574 CA PRO A 108 8.347 1.804 4.674 1.00 0.00 C ATOM 1575 C PRO A 108 7.146 0.856 4.686 1.00 0.00 C ATOM 1576 O PRO A 108 7.045 -0.013 5.551 1.00 0.00 O ATOM 1577 CB PRO A 108 9.660 1.095 4.386 1.00 0.00 C ATOM 1578 CG PRO A 108 10.361 0.955 5.727 1.00 0.00 C ATOM 1579 CD PRO A 108 9.656 1.865 6.720 1.00 0.00 C ATOM 0 HA PRO A 108 8.120 2.527 3.891 1.00 0.00 H new ATOM 0 HB2 PRO A 108 9.486 0.119 3.933 1.00 0.00 H new ATOM 0 HB3 PRO A 108 10.268 1.668 3.686 1.00 0.00 H new ATOM 0 HG2 PRO A 108 10.329 -0.080 6.068 1.00 0.00 H new ATOM 0 HG3 PRO A 108 11.412 1.229 5.638 1.00 0.00 H new ATOM 0 HD2 PRO A 108 9.315 1.309 7.593 1.00 0.00 H new ATOM 0 HD3 PRO A 108 10.322 2.649 7.081 1.00 0.00 H new ATOM 1587 N LEU A 109 6.265 1.055 3.716 1.00 0.00 N ATOM 1588 CA LEU A 109 5.075 0.229 3.605 1.00 0.00 C ATOM 1589 C LEU A 109 5.219 -0.704 2.400 1.00 0.00 C ATOM 1590 O LEU A 109 5.161 -0.258 1.255 1.00 0.00 O ATOM 1591 CB LEU A 109 3.819 1.102 3.560 1.00 0.00 C ATOM 1592 CG LEU A 109 3.337 1.651 4.904 1.00 0.00 C ATOM 1593 CD1 LEU A 109 2.997 0.515 5.871 1.00 0.00 C ATOM 1594 CD2 LEU A 109 4.359 2.623 5.498 1.00 0.00 C ATOM 0 H LEU A 109 6.352 1.776 3.000 1.00 0.00 H new ATOM 0 HA LEU A 109 4.965 -0.402 4.487 1.00 0.00 H new ATOM 0 HB2 LEU A 109 4.009 1.943 2.893 1.00 0.00 H new ATOM 0 HB3 LEU A 109 3.011 0.520 3.117 1.00 0.00 H new ATOM 0 HG LEU A 109 2.419 2.214 4.733 1.00 0.00 H new ATOM 0 HD11 LEU A 109 2.657 0.933 6.818 1.00 0.00 H new ATOM 0 HD12 LEU A 109 2.208 -0.103 5.443 1.00 0.00 H new ATOM 0 HD13 LEU A 109 3.884 -0.096 6.041 1.00 0.00 H new ATOM 0 HD21 LEU A 109 3.992 2.998 6.453 1.00 0.00 H new ATOM 0 HD22 LEU A 109 5.306 2.106 5.651 1.00 0.00 H new ATOM 0 HD23 LEU A 109 4.508 3.458 4.813 1.00 0.00 H new ATOM 1606 N THR A 110 5.403 -1.981 2.700 1.00 0.00 N ATOM 1607 CA THR A 110 5.555 -2.980 1.656 1.00 0.00 C ATOM 1608 C THR A 110 4.185 -3.421 1.136 1.00 0.00 C ATOM 1609 O THR A 110 3.284 -3.712 1.920 1.00 0.00 O ATOM 1610 CB THR A 110 6.389 -4.132 2.222 1.00 0.00 C ATOM 1611 OG1 THR A 110 7.581 -3.503 2.685 1.00 0.00 O ATOM 1612 CG2 THR A 110 6.873 -5.093 1.135 1.00 0.00 C ATOM 0 H THR A 110 5.450 -2.347 3.651 1.00 0.00 H new ATOM 0 HA THR A 110 6.080 -2.572 0.792 1.00 0.00 H new ATOM 0 HB THR A 110 5.799 -4.681 2.956 1.00 0.00 H new ATOM 0 HG1 THR A 110 8.179 -4.178 3.070 1.00 0.00 H new ATOM 0 HG21 THR A 110 7.459 -5.891 1.590 1.00 0.00 H new ATOM 0 HG22 THR A 110 6.014 -5.522 0.620 1.00 0.00 H new ATOM 0 HG23 THR A 110 7.491 -4.551 0.419 1.00 0.00 H new ATOM 1620 N LEU A 111 4.073 -3.455 -0.184 1.00 0.00 N ATOM 1621 CA LEU A 111 2.828 -3.855 -0.818 1.00 0.00 C ATOM 1622 C LEU A 111 2.797 -5.379 -0.955 1.00 0.00 C ATOM 1623 O LEU A 111 3.752 -5.982 -1.441 1.00 0.00 O ATOM 1624 CB LEU A 111 2.641 -3.115 -2.144 1.00 0.00 C ATOM 1625 CG LEU A 111 1.591 -3.695 -3.094 1.00 0.00 C ATOM 1626 CD1 LEU A 111 0.223 -3.779 -2.413 1.00 0.00 C ATOM 1627 CD2 LEU A 111 1.533 -2.900 -4.399 1.00 0.00 C ATOM 0 H LEU A 111 4.823 -3.212 -0.831 1.00 0.00 H new ATOM 0 HA LEU A 111 1.977 -3.573 -0.198 1.00 0.00 H new ATOM 0 HB2 LEU A 111 2.373 -2.081 -1.926 1.00 0.00 H new ATOM 0 HB3 LEU A 111 3.599 -3.093 -2.663 1.00 0.00 H new ATOM 0 HG LEU A 111 1.887 -4.712 -3.350 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -0.505 -4.194 -3.110 1.00 0.00 H new ATOM 0 HD12 LEU A 111 0.293 -4.421 -1.535 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -0.094 -2.781 -2.109 1.00 0.00 H new ATOM 0 HD21 LEU A 111 0.779 -3.333 -5.056 1.00 0.00 H new ATOM 0 HD22 LEU A 111 1.273 -1.864 -4.183 1.00 0.00 H new ATOM 0 HD23 LEU A 111 2.505 -2.935 -4.890 1.00 0.00 H new ATOM 1639 N ARG A 112 1.689 -5.957 -0.516 1.00 0.00 N ATOM 1640 CA ARG A 112 1.520 -7.399 -0.583 1.00 0.00 C ATOM 1641 C ARG A 112 0.128 -7.747 -1.115 1.00 0.00 C ATOM 1642 O ARG A 112 -0.793 -6.937 -1.028 1.00 0.00 O ATOM 1643 CB ARG A 112 1.707 -8.040 0.794 1.00 0.00 C ATOM 1644 CG ARG A 112 3.166 -7.955 1.244 1.00 0.00 C ATOM 1645 CD ARG A 112 4.042 -8.930 0.454 1.00 0.00 C ATOM 1646 NE ARG A 112 5.446 -8.464 0.454 1.00 0.00 N ATOM 1647 CZ ARG A 112 6.486 -9.211 0.060 1.00 0.00 C ATOM 1648 NH1 ARG A 112 6.286 -10.465 -0.368 1.00 0.00 N ATOM 1649 NH2 ARG A 112 7.726 -8.705 0.094 1.00 0.00 N ATOM 0 H ARG A 112 0.899 -5.453 -0.112 1.00 0.00 H new ATOM 0 HA ARG A 112 2.279 -7.790 -1.260 1.00 0.00 H new ATOM 0 HB2 ARG A 112 1.068 -7.540 1.522 1.00 0.00 H new ATOM 0 HB3 ARG A 112 1.394 -9.083 0.759 1.00 0.00 H new ATOM 0 HG2 ARG A 112 3.534 -6.938 1.108 1.00 0.00 H new ATOM 0 HG3 ARG A 112 3.235 -8.179 2.308 1.00 0.00 H new ATOM 0 HD2 ARG A 112 3.981 -9.925 0.894 1.00 0.00 H new ATOM 0 HD3 ARG A 112 3.677 -9.011 -0.570 1.00 0.00 H new ATOM 0 HE ARG A 112 5.634 -7.514 0.774 1.00 0.00 H new ATOM 0 HH11 ARG A 112 5.342 -10.851 -0.394 1.00 0.00 H new ATOM 0 HH12 ARG A 112 7.078 -11.034 -0.668 1.00 0.00 H new ATOM 0 HH21 ARG A 112 7.879 -7.751 0.420 1.00 0.00 H new ATOM 0 HH22 ARG A 112 8.517 -9.274 -0.206 1.00 0.00 H new ATOM 1663 N TRP A 113 0.020 -8.952 -1.655 1.00 0.00 N ATOM 1664 CA TRP A 113 -1.243 -9.417 -2.201 1.00 0.00 C ATOM 1665 C TRP A 113 -1.611 -10.724 -1.497 1.00 0.00 C ATOM 1666 O TRP A 113 -0.760 -11.592 -1.308 1.00 0.00 O ATOM 1667 CB TRP A 113 -1.164 -9.559 -3.722 1.00 0.00 C ATOM 1668 CG TRP A 113 -2.274 -10.421 -4.326 1.00 0.00 C ATOM 1669 CD1 TRP A 113 -2.423 -11.751 -4.245 1.00 0.00 C ATOM 1670 CD2 TRP A 113 -3.393 -9.957 -5.111 1.00 0.00 C ATOM 1671 NE1 TRP A 113 -3.551 -12.175 -4.917 1.00 0.00 N ATOM 1672 CE2 TRP A 113 -4.159 -11.050 -5.461 1.00 0.00 C ATOM 1673 CE3 TRP A 113 -3.745 -8.656 -5.512 1.00 0.00 C ATOM 1674 CZ2 TRP A 113 -5.326 -10.954 -6.228 1.00 0.00 C ATOM 1675 CZ3 TRP A 113 -4.914 -8.577 -6.279 1.00 0.00 C ATOM 1676 CH2 TRP A 113 -5.697 -9.668 -6.639 1.00 0.00 C ATOM 0 H TRP A 113 0.787 -9.620 -1.726 1.00 0.00 H new ATOM 0 HA TRP A 113 -2.033 -8.689 -2.017 1.00 0.00 H new ATOM 0 HB2 TRP A 113 -1.204 -8.567 -4.172 1.00 0.00 H new ATOM 0 HB3 TRP A 113 -0.199 -9.991 -3.986 1.00 0.00 H new ATOM 0 HD1 TRP A 113 -1.745 -12.408 -3.720 1.00 0.00 H new ATOM 0 HE1 TRP A 113 -3.878 -13.137 -4.999 1.00 0.00 H new ATOM 0 HE3 TRP A 113 -3.160 -7.787 -5.249 1.00 0.00 H new ATOM 0 HZ2 TRP A 113 -5.909 -11.825 -6.489 1.00 0.00 H new ATOM 0 HZ3 TRP A 113 -5.229 -7.600 -6.614 1.00 0.00 H new ATOM 0 HH2 TRP A 113 -6.587 -9.524 -7.233 1.00 0.00 H new ATOM 1687 N SER A 114 -2.879 -10.824 -1.127 1.00 0.00 N ATOM 1688 CA SER A 114 -3.370 -12.011 -0.447 1.00 0.00 C ATOM 1689 C SER A 114 -3.757 -13.078 -1.473 1.00 0.00 C ATOM 1690 O SER A 114 -4.409 -12.777 -2.471 1.00 0.00 O ATOM 1691 CB SER A 114 -4.564 -11.678 0.449 1.00 0.00 C ATOM 1692 OG SER A 114 -4.854 -12.731 1.364 1.00 0.00 O ATOM 0 H SER A 114 -3.582 -10.102 -1.285 1.00 0.00 H new ATOM 0 HA SER A 114 -2.572 -12.398 0.187 1.00 0.00 H new ATOM 0 HB2 SER A 114 -4.357 -10.763 1.003 1.00 0.00 H new ATOM 0 HB3 SER A 114 -5.440 -11.485 -0.171 1.00 0.00 H new ATOM 0 HG SER A 114 -5.621 -12.480 1.919 1.00 0.00 H new