USER MOD reduce.3.24.130724 H: found=0, std=0, add=839, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 838 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: B 98 GLN : amide:sc= -0.367 K(o=0.8,f=-0.53) USER MOD Set 1.2: B 102 LYS NZ :NH3+ -153:sc= 1.17 (180deg=-0.266) USER MOD Set 2.1: B 13 LYS NZ :NH3+ -105:sc= -0.489! (180deg=-4.71!) USER MOD Set 2.2: B 81 ASN : amide:sc= -1.9! C(o=0.21!,f=-7.5!) USER MOD Set 2.3: B 83 SER OG : rot -89:sc= 1.29 USER MOD Set 2.4: B 84 THR OG1 : rot 35:sc= 1.3 USER MOD Set 3.1: B 62 LYS NZ :NH3+ -129:sc= 0.115 (180deg=-0.0798) USER MOD Set 3.2: B 64 GLN : amide:sc= -0.409 K(o=-0.29,f=-4!) USER MOD Set 4.1: B 54 LYS NZ :NH3+ 147:sc= 1.15 (180deg=-1.39!) USER MOD Set 4.2: B 66 GLN : amide:sc= -1.95! C(o=-3.7!,f=-15!) USER MOD Set 4.3: B 76 ASN : amide:sc= -2.91 K(o=-3.7,f=-7.5!) USER MOD Set 5.1: B 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 5.2: B 52 CYS SG : rot 180:sc= -4.52! USER MOD Set 6.1: B 45 HIS : no HE2:sc= -2.15! C(o=-2.1!,f=-4.3!) USER MOD Set 6.2: B 75 THR OG1 : rot -164:sc= 0.014 USER MOD Set 7.1: B 17 GLN : amide:sc= -1.87 K(o=-1.4,f=-6.2!) USER MOD Set 7.2: B 18 LYS NZ :NH3+ -142:sc= 0.45 (180deg=-0.271) USER MOD Single : A 404 ASN : amide:sc= -0.329 X(o=-0.33,f=-0.0084) USER MOD Single : B 14 LYS NZ :NH3+ -153:sc= 1.07 (180deg=-1.95!) USER MOD Single : B 19 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.039) USER MOD Single : B 20 GLN : amide:sc= -0.719 X(o=-0.72,f=-1) USER MOD Single : B 25 TYR OH : rot 180:sc= 0 USER MOD Single : B 27 MET CE :methyl -128:sc= -1.15 (180deg=-5.46!) USER MOD Single : B 38 LYS NZ :NH3+ 142:sc= 0.799 (180deg=-1.91!) USER MOD Single : B 42 THR OG1 : rot 92:sc= -0.896 USER MOD Single : B 44 SER OG : rot 180:sc= 0 USER MOD Single : B 46 MET CE :methyl 158:sc= -0.61 (180deg=-1.64!) USER MOD Single : B 47 TYR OH : rot 135:sc= 1.19 USER MOD Single : B 53 GLN : amide:sc= -6.84! C(o=-6.8!,f=-6.4!) USER MOD Single : B 56 SER OG : rot 150:sc= -0.443 USER MOD Single : B 60 LYS NZ :NH3+ 174:sc= 2.72 (180deg=2.12) USER MOD Single : B 70 HIS : no HE2:sc= -5.09! C(o=-5.1!,f=-9.7!) USER MOD Single : B 74 THR OG1 : rot 46:sc= 0.0186 USER MOD Single : B 78 HIS : no HD1:sc= -5.93! C(o=-5.9!,f=-8.6!) USER MOD Single : B 80 SER OG : rot 145:sc= 1.29 USER MOD Single : B 87 LYS NZ :NH3+ -177:sc= 1.25 (180deg=1.2) USER MOD Single : B 93 LYS NZ :NH3+ -169:sc= 2.24 (180deg=2.13) USER MOD Single : B 97 GLN : amide:sc= -0.23 K(o=-0.23,f=-0.88) USER MOD ----------------------------------------------------------------- ATOM 101 N GLU A 399 1.015 13.176 12.456 1.00 0.00 N ATOM 102 CA GLU A 399 -0.078 12.675 13.292 1.00 0.00 C ATOM 103 C GLU A 399 -0.746 11.483 12.637 1.00 0.00 C ATOM 104 O GLU A 399 -1.329 11.601 11.562 1.00 0.00 O ATOM 105 CB GLU A 399 -1.124 13.759 13.576 1.00 0.00 C ATOM 106 CG GLU A 399 -1.319 14.766 12.453 1.00 0.00 C ATOM 107 CD GLU A 399 -2.682 15.430 12.497 1.00 0.00 C ATOM 108 OE1 GLU A 399 -3.431 15.190 13.470 1.00 0.00 O ATOM 109 OE2 GLU A 399 -3.015 16.179 11.550 1.00 0.00 O ATOM 0 HA GLU A 399 0.360 12.370 14.242 1.00 0.00 H new ATOM 0 HB2 GLU A 399 -2.079 13.277 13.783 1.00 0.00 H new ATOM 0 HB3 GLU A 399 -0.835 14.295 14.480 1.00 0.00 H new ATOM 0 HG2 GLU A 399 -0.544 15.530 12.516 1.00 0.00 H new ATOM 0 HG3 GLU A 399 -1.194 14.264 11.494 1.00 0.00 H new ATOM 116 N ASP A 400 -0.661 10.335 13.290 1.00 0.00 N ATOM 117 CA ASP A 400 -1.246 9.111 12.766 1.00 0.00 C ATOM 118 C ASP A 400 -1.864 8.297 13.894 1.00 0.00 C ATOM 119 O ASP A 400 -1.247 7.368 14.413 1.00 0.00 O ATOM 120 CB ASP A 400 -0.179 8.266 12.071 1.00 0.00 C ATOM 121 CG ASP A 400 0.878 9.092 11.361 1.00 0.00 C ATOM 122 OD1 ASP A 400 0.747 9.282 10.135 1.00 0.00 O ATOM 123 OD2 ASP A 400 1.836 9.545 12.029 1.00 0.00 O ATOM 0 H ASP A 400 -0.190 10.225 14.188 1.00 0.00 H new ATOM 0 HA ASP A 400 -2.018 9.385 12.047 1.00 0.00 H new ATOM 0 HB2 ASP A 400 0.306 7.627 12.809 1.00 0.00 H new ATOM 0 HB3 ASP A 400 -0.661 7.608 11.348 1.00 0.00 H new ATOM 128 N ASP A 401 -3.084 8.634 14.263 1.00 0.00 N ATOM 129 CA ASP A 401 -3.758 7.942 15.363 1.00 0.00 C ATOM 130 C ASP A 401 -5.226 7.652 15.076 1.00 0.00 C ATOM 131 O ASP A 401 -5.681 6.531 15.293 1.00 0.00 O ATOM 132 CB ASP A 401 -3.611 8.735 16.671 1.00 0.00 C ATOM 133 CG ASP A 401 -4.248 10.115 16.612 1.00 0.00 C ATOM 134 OD1 ASP A 401 -4.206 10.754 15.533 1.00 0.00 O ATOM 135 OD2 ASP A 401 -4.783 10.568 17.641 1.00 0.00 O ATOM 0 H ASP A 401 -3.632 9.375 13.826 1.00 0.00 H new ATOM 0 HA ASP A 401 -3.265 6.976 15.470 1.00 0.00 H new ATOM 0 HB2 ASP A 401 -4.063 8.168 17.485 1.00 0.00 H new ATOM 0 HB3 ASP A 401 -2.552 8.841 16.907 1.00 0.00 H new ATOM 140 N ASP A 402 -5.969 8.639 14.576 1.00 0.00 N ATOM 141 CA ASP A 402 -7.388 8.439 14.246 1.00 0.00 C ATOM 142 C ASP A 402 -7.516 7.590 12.989 1.00 0.00 C ATOM 143 O ASP A 402 -8.584 7.458 12.398 1.00 0.00 O ATOM 144 CB ASP A 402 -8.116 9.773 14.057 1.00 0.00 C ATOM 145 CG ASP A 402 -7.352 10.743 13.183 1.00 0.00 C ATOM 146 OD1 ASP A 402 -7.171 11.898 13.612 1.00 0.00 O ATOM 147 OD2 ASP A 402 -6.910 10.350 12.080 1.00 0.00 O ATOM 0 H ASP A 402 -5.620 9.579 14.390 1.00 0.00 H new ATOM 0 HA ASP A 402 -7.856 7.920 15.083 1.00 0.00 H new ATOM 0 HB2 ASP A 402 -9.095 9.587 13.615 1.00 0.00 H new ATOM 0 HB3 ASP A 402 -8.288 10.229 15.032 1.00 0.00 H new ATOM 152 N PHE A 403 -6.392 7.023 12.609 1.00 0.00 N ATOM 153 CA PHE A 403 -6.257 6.164 11.472 1.00 0.00 C ATOM 154 C PHE A 403 -7.152 4.928 11.623 1.00 0.00 C ATOM 155 O PHE A 403 -6.937 4.106 12.512 1.00 0.00 O ATOM 156 CB PHE A 403 -4.800 5.764 11.431 1.00 0.00 C ATOM 157 CG PHE A 403 -4.036 6.231 10.254 1.00 0.00 C ATOM 158 CD1 PHE A 403 -4.558 6.105 8.991 1.00 0.00 C ATOM 159 CD2 PHE A 403 -2.765 6.734 10.411 1.00 0.00 C ATOM 160 CE1 PHE A 403 -3.827 6.474 7.894 1.00 0.00 C ATOM 161 CE2 PHE A 403 -2.028 7.116 9.320 1.00 0.00 C ATOM 162 CZ PHE A 403 -2.556 6.980 8.059 1.00 0.00 C ATOM 0 H PHE A 403 -5.515 7.159 13.111 1.00 0.00 H new ATOM 0 HA PHE A 403 -6.561 6.664 10.552 1.00 0.00 H new ATOM 0 HB2 PHE A 403 -4.314 6.143 12.330 1.00 0.00 H new ATOM 0 HB3 PHE A 403 -4.740 4.676 11.471 1.00 0.00 H new ATOM 0 HD1 PHE A 403 -5.555 5.711 8.861 1.00 0.00 H new ATOM 0 HD2 PHE A 403 -2.345 6.829 11.401 1.00 0.00 H new ATOM 0 HE1 PHE A 403 -4.245 6.369 6.904 1.00 0.00 H new ATOM 0 HE2 PHE A 403 -1.036 7.522 9.451 1.00 0.00 H new ATOM 0 HZ PHE A 403 -1.974 7.270 7.196 1.00 0.00 H new ATOM 172 N ASN A 404 -8.131 4.790 10.742 1.00 0.00 N ATOM 173 CA ASN A 404 -9.069 3.667 10.805 1.00 0.00 C ATOM 174 C ASN A 404 -8.816 2.664 9.689 1.00 0.00 C ATOM 175 O ASN A 404 -8.692 3.047 8.529 1.00 0.00 O ATOM 176 CB ASN A 404 -10.516 4.164 10.695 1.00 0.00 C ATOM 177 CG ASN A 404 -11.042 4.782 11.976 1.00 0.00 C ATOM 178 OD1 ASN A 404 -11.517 4.081 12.868 1.00 0.00 O ATOM 179 ND2 ASN A 404 -10.977 6.101 12.066 1.00 0.00 N ATOM 0 H ASN A 404 -8.301 5.439 9.973 1.00 0.00 H new ATOM 0 HA ASN A 404 -8.914 3.178 11.767 1.00 0.00 H new ATOM 0 HB2 ASN A 404 -10.579 4.900 9.893 1.00 0.00 H new ATOM 0 HB3 ASN A 404 -11.158 3.329 10.413 1.00 0.00 H new ATOM 0 HD21 ASN A 404 -11.329 6.573 12.899 1.00 0.00 H new ATOM 0 HD22 ASN A 404 -10.575 6.645 11.303 1.00 0.00 H new ATOM 361 N VAL B 8 -0.246 0.123 -13.503 1.00 0.00 N ATOM 362 CA VAL B 8 -0.845 1.084 -12.590 1.00 0.00 C ATOM 363 C VAL B 8 -2.299 1.336 -12.939 1.00 0.00 C ATOM 364 O VAL B 8 -2.622 1.756 -14.048 1.00 0.00 O ATOM 365 CB VAL B 8 -0.099 2.431 -12.619 1.00 0.00 C ATOM 366 CG1 VAL B 8 -0.745 3.415 -11.658 1.00 0.00 C ATOM 367 CG2 VAL B 8 1.372 2.243 -12.290 1.00 0.00 C ATOM 0 HA VAL B 8 -0.774 0.651 -11.592 1.00 0.00 H new ATOM 0 HB VAL B 8 -0.167 2.839 -13.628 1.00 0.00 H new ATOM 0 HG11 VAL B 8 -0.206 4.362 -11.690 1.00 0.00 H new ATOM 0 HG12 VAL B 8 -1.783 3.578 -11.948 1.00 0.00 H new ATOM 0 HG13 VAL B 8 -0.710 3.012 -10.646 1.00 0.00 H new ATOM 0 HG21 VAL B 8 1.877 3.209 -12.317 1.00 0.00 H new ATOM 0 HG22 VAL B 8 1.470 1.810 -11.294 1.00 0.00 H new ATOM 0 HG23 VAL B 8 1.826 1.575 -13.022 1.00 0.00 H new ATOM 377 N LEU B 9 -3.169 1.062 -11.984 1.00 0.00 N ATOM 378 CA LEU B 9 -4.591 1.273 -12.169 1.00 0.00 C ATOM 379 C LEU B 9 -5.001 2.610 -11.563 1.00 0.00 C ATOM 380 O LEU B 9 -5.914 3.272 -12.049 1.00 0.00 O ATOM 381 CB LEU B 9 -5.393 0.142 -11.519 1.00 0.00 C ATOM 382 CG LEU B 9 -4.928 -1.277 -11.860 1.00 0.00 C ATOM 383 CD1 LEU B 9 -5.678 -2.295 -11.016 1.00 0.00 C ATOM 384 CD2 LEU B 9 -5.120 -1.565 -13.341 1.00 0.00 C ATOM 0 H LEU B 9 -2.913 0.691 -11.069 1.00 0.00 H new ATOM 0 HA LEU B 9 -4.803 1.281 -13.238 1.00 0.00 H new ATOM 0 HB2 LEU B 9 -5.354 0.268 -10.437 1.00 0.00 H new ATOM 0 HB3 LEU B 9 -6.437 0.244 -11.815 1.00 0.00 H new ATOM 0 HG LEU B 9 -3.864 -1.355 -11.634 1.00 0.00 H new ATOM 0 HD11 LEU B 9 -5.337 -3.299 -11.269 1.00 0.00 H new ATOM 0 HD12 LEU B 9 -5.488 -2.103 -9.960 1.00 0.00 H new ATOM 0 HD13 LEU B 9 -6.747 -2.214 -11.213 1.00 0.00 H new ATOM 0 HD21 LEU B 9 -4.783 -2.578 -13.561 1.00 0.00 H new ATOM 0 HD22 LEU B 9 -6.175 -1.470 -13.596 1.00 0.00 H new ATOM 0 HD23 LEU B 9 -4.539 -0.854 -13.928 1.00 0.00 H new ATOM 396 N LEU B 10 -4.314 3.002 -10.500 1.00 0.00 N ATOM 397 CA LEU B 10 -4.612 4.252 -9.824 1.00 0.00 C ATOM 398 C LEU B 10 -3.365 5.099 -9.624 1.00 0.00 C ATOM 399 O LEU B 10 -2.409 4.668 -8.978 1.00 0.00 O ATOM 400 CB LEU B 10 -5.246 3.969 -8.470 1.00 0.00 C ATOM 401 CG LEU B 10 -5.663 5.215 -7.684 1.00 0.00 C ATOM 402 CD1 LEU B 10 -7.086 5.626 -8.004 1.00 0.00 C ATOM 403 CD2 LEU B 10 -5.516 4.980 -6.198 1.00 0.00 C ATOM 0 H LEU B 10 -3.547 2.471 -10.088 1.00 0.00 H new ATOM 0 HA LEU B 10 -5.304 4.809 -10.456 1.00 0.00 H new ATOM 0 HB2 LEU B 10 -6.124 3.340 -8.620 1.00 0.00 H new ATOM 0 HB3 LEU B 10 -4.542 3.395 -7.868 1.00 0.00 H new ATOM 0 HG LEU B 10 -5.001 6.027 -7.985 1.00 0.00 H new ATOM 0 HD11 LEU B 10 -7.347 6.514 -7.428 1.00 0.00 H new ATOM 0 HD12 LEU B 10 -7.170 5.847 -9.068 1.00 0.00 H new ATOM 0 HD13 LEU B 10 -7.766 4.814 -7.747 1.00 0.00 H new ATOM 0 HD21 LEU B 10 -5.817 5.877 -5.656 1.00 0.00 H new ATOM 0 HD22 LEU B 10 -6.149 4.145 -5.897 1.00 0.00 H new ATOM 0 HD23 LEU B 10 -4.476 4.749 -5.967 1.00 0.00 H new ATOM 415 N ILE B 11 -3.375 6.298 -10.191 1.00 0.00 N ATOM 416 CA ILE B 11 -2.264 7.217 -10.030 1.00 0.00 C ATOM 417 C ILE B 11 -2.655 8.292 -9.036 1.00 0.00 C ATOM 418 O ILE B 11 -3.633 9.014 -9.239 1.00 0.00 O ATOM 419 CB ILE B 11 -1.830 7.894 -11.342 1.00 0.00 C ATOM 420 CG1 ILE B 11 -1.441 6.844 -12.387 1.00 0.00 C ATOM 421 CG2 ILE B 11 -0.663 8.841 -11.063 1.00 0.00 C ATOM 422 CD1 ILE B 11 -1.087 7.429 -13.737 1.00 0.00 C ATOM 0 H ILE B 11 -4.140 6.653 -10.765 1.00 0.00 H new ATOM 0 HA ILE B 11 -1.417 6.628 -9.679 1.00 0.00 H new ATOM 0 HB ILE B 11 -2.665 8.469 -11.743 1.00 0.00 H new ATOM 0 HG12 ILE B 11 -0.591 6.272 -12.015 1.00 0.00 H new ATOM 0 HG13 ILE B 11 -2.267 6.144 -12.510 1.00 0.00 H new ATOM 0 HG21 ILE B 11 -0.354 9.321 -11.991 1.00 0.00 H new ATOM 0 HG22 ILE B 11 -0.975 9.602 -10.347 1.00 0.00 H new ATOM 0 HG23 ILE B 11 0.173 8.276 -10.651 1.00 0.00 H new ATOM 0 HD11 ILE B 11 -0.823 6.625 -14.424 1.00 0.00 H new ATOM 0 HD12 ILE B 11 -1.943 7.977 -14.132 1.00 0.00 H new ATOM 0 HD13 ILE B 11 -0.240 8.107 -13.629 1.00 0.00 H new ATOM 434 N VAL B 12 -1.897 8.387 -7.971 1.00 0.00 N ATOM 435 CA VAL B 12 -2.151 9.353 -6.933 1.00 0.00 C ATOM 436 C VAL B 12 -1.055 10.395 -6.938 1.00 0.00 C ATOM 437 O VAL B 12 0.089 10.106 -7.285 1.00 0.00 O ATOM 438 CB VAL B 12 -2.221 8.679 -5.556 1.00 0.00 C ATOM 439 CG1 VAL B 12 -2.888 9.586 -4.548 1.00 0.00 C ATOM 440 CG2 VAL B 12 -2.956 7.354 -5.650 1.00 0.00 C ATOM 0 H VAL B 12 -1.085 7.794 -7.800 1.00 0.00 H new ATOM 0 HA VAL B 12 -3.113 9.826 -7.128 1.00 0.00 H new ATOM 0 HB VAL B 12 -1.203 8.486 -5.218 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -2.927 9.087 -3.579 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -2.318 10.511 -4.458 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -3.901 9.815 -4.879 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -2.996 6.890 -4.665 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -3.970 7.525 -6.012 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -2.430 6.695 -6.341 1.00 0.00 H new ATOM 450 N LYS B 13 -1.399 11.599 -6.553 1.00 0.00 N ATOM 451 CA LYS B 13 -0.438 12.680 -6.538 1.00 0.00 C ATOM 452 C LYS B 13 -0.173 13.133 -5.124 1.00 0.00 C ATOM 453 O LYS B 13 -0.813 12.646 -4.199 1.00 0.00 O ATOM 454 CB LYS B 13 -0.934 13.842 -7.389 1.00 0.00 C ATOM 455 CG LYS B 13 -0.986 13.508 -8.866 1.00 0.00 C ATOM 456 CD LYS B 13 -2.250 14.033 -9.521 1.00 0.00 C ATOM 457 CE LYS B 13 -3.492 13.273 -9.066 1.00 0.00 C ATOM 458 NZ LYS B 13 -4.109 13.864 -7.845 1.00 0.00 N ATOM 0 H LYS B 13 -2.336 11.858 -6.245 1.00 0.00 H new ATOM 0 HA LYS B 13 0.498 12.317 -6.962 1.00 0.00 H new ATOM 0 HB2 LYS B 13 -1.929 14.134 -7.052 1.00 0.00 H new ATOM 0 HB3 LYS B 13 -0.281 14.701 -7.238 1.00 0.00 H new ATOM 0 HG2 LYS B 13 -0.115 13.933 -9.365 1.00 0.00 H new ATOM 0 HG3 LYS B 13 -0.932 12.427 -8.996 1.00 0.00 H new ATOM 0 HD2 LYS B 13 -2.367 15.091 -9.286 1.00 0.00 H new ATOM 0 HD3 LYS B 13 -2.155 13.956 -10.604 1.00 0.00 H new ATOM 0 HE2 LYS B 13 -4.225 13.266 -9.872 1.00 0.00 H new ATOM 0 HE3 LYS B 13 -3.226 12.235 -8.868 1.00 0.00 H new ATOM 0 HZ1 LYS B 13 -3.893 13.266 -7.022 1.00 0.00 H new ATOM 0 HZ2 LYS B 13 -3.726 14.818 -7.689 1.00 0.00 H new ATOM 0 HZ3 LYS B 13 -5.140 13.921 -7.970 1.00 0.00 H new ATOM 472 N LYS B 14 0.715 14.121 -5.011 1.00 0.00 N ATOM 473 CA LYS B 14 1.161 14.699 -3.733 1.00 0.00 C ATOM 474 C LYS B 14 0.874 13.799 -2.532 1.00 0.00 C ATOM 475 O LYS B 14 -0.024 14.057 -1.732 1.00 0.00 O ATOM 476 CB LYS B 14 0.507 16.062 -3.529 1.00 0.00 C ATOM 477 CG LYS B 14 1.217 17.194 -4.248 1.00 0.00 C ATOM 478 CD LYS B 14 1.804 18.190 -3.264 1.00 0.00 C ATOM 479 CE LYS B 14 3.132 18.735 -3.756 1.00 0.00 C ATOM 480 NZ LYS B 14 4.092 17.646 -4.058 1.00 0.00 N ATOM 0 H LYS B 14 1.157 14.555 -5.821 1.00 0.00 H new ATOM 0 HA LYS B 14 2.244 14.803 -3.794 1.00 0.00 H new ATOM 0 HB2 LYS B 14 -0.526 16.015 -3.875 1.00 0.00 H new ATOM 0 HB3 LYS B 14 0.476 16.284 -2.462 1.00 0.00 H new ATOM 0 HG2 LYS B 14 2.011 16.788 -4.875 1.00 0.00 H new ATOM 0 HG3 LYS B 14 0.517 17.703 -4.910 1.00 0.00 H new ATOM 0 HD2 LYS B 14 1.104 19.012 -3.115 1.00 0.00 H new ATOM 0 HD3 LYS B 14 1.942 17.709 -2.296 1.00 0.00 H new ATOM 0 HE2 LYS B 14 2.970 19.336 -4.651 1.00 0.00 H new ATOM 0 HE3 LYS B 14 3.557 19.396 -3.000 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 5.064 17.998 -3.944 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 3.933 16.852 -3.406 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 3.954 17.323 -5.037 1.00 0.00 H new ATOM 494 N VAL B 15 1.636 12.721 -2.449 1.00 0.00 N ATOM 495 CA VAL B 15 1.521 11.766 -1.362 1.00 0.00 C ATOM 496 C VAL B 15 2.826 11.741 -0.587 1.00 0.00 C ATOM 497 O VAL B 15 3.888 11.525 -1.158 1.00 0.00 O ATOM 498 CB VAL B 15 1.187 10.343 -1.869 1.00 0.00 C ATOM 499 CG1 VAL B 15 1.356 9.317 -0.759 1.00 0.00 C ATOM 500 CG2 VAL B 15 -0.228 10.288 -2.412 1.00 0.00 C ATOM 0 H VAL B 15 2.353 12.484 -3.135 1.00 0.00 H new ATOM 0 HA VAL B 15 0.700 12.082 -0.719 1.00 0.00 H new ATOM 0 HB VAL B 15 1.883 10.103 -2.673 1.00 0.00 H new ATOM 0 HG11 VAL B 15 1.115 8.325 -1.141 1.00 0.00 H new ATOM 0 HG12 VAL B 15 2.387 9.330 -0.406 1.00 0.00 H new ATOM 0 HG13 VAL B 15 0.687 9.560 0.066 1.00 0.00 H new ATOM 0 HG21 VAL B 15 -0.444 9.279 -2.764 1.00 0.00 H new ATOM 0 HG22 VAL B 15 -0.931 10.556 -1.623 1.00 0.00 H new ATOM 0 HG23 VAL B 15 -0.328 10.990 -3.240 1.00 0.00 H new ATOM 510 N ARG B 16 2.736 11.976 0.702 1.00 0.00 N ATOM 511 CA ARG B 16 3.897 12.005 1.562 1.00 0.00 C ATOM 512 C ARG B 16 4.118 10.685 2.280 1.00 0.00 C ATOM 513 O ARG B 16 3.213 10.145 2.903 1.00 0.00 O ATOM 514 CB ARG B 16 3.740 13.094 2.611 1.00 0.00 C ATOM 515 CG ARG B 16 4.280 14.449 2.204 1.00 0.00 C ATOM 516 CD ARG B 16 4.342 15.373 3.407 1.00 0.00 C ATOM 517 NE ARG B 16 4.310 14.611 4.661 1.00 0.00 N ATOM 518 CZ ARG B 16 4.364 15.145 5.877 1.00 0.00 C ATOM 519 NH1 ARG B 16 4.502 16.454 6.036 1.00 0.00 N ATOM 520 NH2 ARG B 16 4.290 14.360 6.940 1.00 0.00 N ATOM 0 H ARG B 16 1.855 12.153 1.184 1.00 0.00 H new ATOM 0 HA ARG B 16 4.757 12.200 0.921 1.00 0.00 H new ATOM 0 HB2 ARG B 16 2.682 13.197 2.852 1.00 0.00 H new ATOM 0 HB3 ARG B 16 4.245 12.776 3.523 1.00 0.00 H new ATOM 0 HG2 ARG B 16 5.274 14.337 1.771 1.00 0.00 H new ATOM 0 HG3 ARG B 16 3.644 14.885 1.434 1.00 0.00 H new ATOM 0 HD2 ARG B 16 5.253 15.970 3.364 1.00 0.00 H new ATOM 0 HD3 ARG B 16 3.503 16.068 3.379 1.00 0.00 H new ATOM 0 HE ARG B 16 4.241 13.596 4.594 1.00 0.00 H new ATOM 0 HH11 ARG B 16 4.568 17.063 5.220 1.00 0.00 H new ATOM 0 HH12 ARG B 16 4.542 16.852 6.974 1.00 0.00 H new ATOM 0 HH21 ARG B 16 4.192 13.351 6.823 1.00 0.00 H new ATOM 0 HH22 ARG B 16 4.331 14.764 7.876 1.00 0.00 H new ATOM 534 N GLN B 17 5.329 10.180 2.191 1.00 0.00 N ATOM 535 CA GLN B 17 5.701 8.962 2.880 1.00 0.00 C ATOM 536 C GLN B 17 6.910 9.268 3.746 1.00 0.00 C ATOM 537 O GLN B 17 8.018 9.423 3.235 1.00 0.00 O ATOM 538 CB GLN B 17 6.017 7.835 1.894 1.00 0.00 C ATOM 539 CG GLN B 17 5.746 6.439 2.444 1.00 0.00 C ATOM 540 CD GLN B 17 6.643 6.064 3.610 1.00 0.00 C ATOM 541 OE1 GLN B 17 6.308 6.290 4.775 1.00 0.00 O ATOM 542 NE2 GLN B 17 7.792 5.483 3.306 1.00 0.00 N ATOM 0 H GLN B 17 6.080 10.599 1.643 1.00 0.00 H new ATOM 0 HA GLN B 17 4.868 8.620 3.494 1.00 0.00 H new ATOM 0 HB2 GLN B 17 5.425 7.980 0.990 1.00 0.00 H new ATOM 0 HB3 GLN B 17 7.065 7.903 1.603 1.00 0.00 H new ATOM 0 HG2 GLN B 17 4.705 6.378 2.762 1.00 0.00 H new ATOM 0 HG3 GLN B 17 5.878 5.710 1.645 1.00 0.00 H new ATOM 0 HE21 GLN B 17 8.035 5.312 2.330 1.00 0.00 H new ATOM 0 HE22 GLN B 17 8.435 5.206 4.048 1.00 0.00 H new ATOM 551 N LYS B 18 6.671 9.401 5.048 1.00 0.00 N ATOM 552 CA LYS B 18 7.721 9.701 6.016 1.00 0.00 C ATOM 553 C LYS B 18 8.188 11.143 5.872 1.00 0.00 C ATOM 554 O LYS B 18 9.386 11.425 5.866 1.00 0.00 O ATOM 555 CB LYS B 18 8.895 8.723 5.880 1.00 0.00 C ATOM 556 CG LYS B 18 9.185 7.926 7.143 1.00 0.00 C ATOM 557 CD LYS B 18 8.072 6.933 7.452 1.00 0.00 C ATOM 558 CE LYS B 18 6.894 7.609 8.138 1.00 0.00 C ATOM 559 NZ LYS B 18 5.596 7.261 7.500 1.00 0.00 N ATOM 0 H LYS B 18 5.744 9.304 5.461 1.00 0.00 H new ATOM 0 HA LYS B 18 7.305 9.578 7.016 1.00 0.00 H new ATOM 0 HB2 LYS B 18 8.685 8.030 5.065 1.00 0.00 H new ATOM 0 HB3 LYS B 18 9.789 9.281 5.601 1.00 0.00 H new ATOM 0 HG2 LYS B 18 10.128 7.391 7.027 1.00 0.00 H new ATOM 0 HG3 LYS B 18 9.307 8.609 7.984 1.00 0.00 H new ATOM 0 HD2 LYS B 18 7.735 6.464 6.528 1.00 0.00 H new ATOM 0 HD3 LYS B 18 8.459 6.139 8.090 1.00 0.00 H new ATOM 0 HE2 LYS B 18 6.871 7.317 9.188 1.00 0.00 H new ATOM 0 HE3 LYS B 18 7.032 8.690 8.111 1.00 0.00 H new ATOM 0 HZ1 LYS B 18 4.978 8.097 7.492 1.00 0.00 H new ATOM 0 HZ2 LYS B 18 5.763 6.944 6.524 1.00 0.00 H new ATOM 0 HZ3 LYS B 18 5.138 6.498 8.038 1.00 0.00 H new ATOM 573 N LYS B 19 7.213 12.047 5.759 1.00 0.00 N ATOM 574 CA LYS B 19 7.469 13.480 5.621 1.00 0.00 C ATOM 575 C LYS B 19 8.141 13.785 4.281 1.00 0.00 C ATOM 576 O LYS B 19 8.798 14.811 4.122 1.00 0.00 O ATOM 577 CB LYS B 19 8.324 13.999 6.788 1.00 0.00 C ATOM 578 CG LYS B 19 7.625 15.043 7.652 1.00 0.00 C ATOM 579 CD LYS B 19 7.018 14.431 8.912 1.00 0.00 C ATOM 580 CE LYS B 19 7.715 14.918 10.171 1.00 0.00 C ATOM 581 NZ LYS B 19 9.153 14.546 10.193 1.00 0.00 N ATOM 0 H LYS B 19 6.222 11.804 5.761 1.00 0.00 H new ATOM 0 HA LYS B 19 6.510 13.998 5.647 1.00 0.00 H new ATOM 0 HB2 LYS B 19 8.613 13.156 7.416 1.00 0.00 H new ATOM 0 HB3 LYS B 19 9.243 14.429 6.389 1.00 0.00 H new ATOM 0 HG2 LYS B 19 8.339 15.817 7.933 1.00 0.00 H new ATOM 0 HG3 LYS B 19 6.841 15.528 7.071 1.00 0.00 H new ATOM 0 HD2 LYS B 19 5.959 14.682 8.963 1.00 0.00 H new ATOM 0 HD3 LYS B 19 7.086 13.345 8.857 1.00 0.00 H new ATOM 0 HE2 LYS B 19 7.620 16.002 10.241 1.00 0.00 H new ATOM 0 HE3 LYS B 19 7.219 14.497 11.045 1.00 0.00 H new ATOM 0 HZ1 LYS B 19 9.545 14.729 11.139 1.00 0.00 H new ATOM 0 HZ2 LYS B 19 9.254 13.536 9.966 1.00 0.00 H new ATOM 0 HZ3 LYS B 19 9.669 15.112 9.489 1.00 0.00 H new ATOM 595 N GLN B 20 7.946 12.890 3.320 1.00 0.00 N ATOM 596 CA GLN B 20 8.522 13.041 1.993 1.00 0.00 C ATOM 597 C GLN B 20 7.415 13.002 0.948 1.00 0.00 C ATOM 598 O GLN B 20 6.712 12.006 0.829 1.00 0.00 O ATOM 599 CB GLN B 20 9.534 11.926 1.741 1.00 0.00 C ATOM 600 CG GLN B 20 10.669 12.331 0.823 1.00 0.00 C ATOM 601 CD GLN B 20 11.312 13.639 1.240 1.00 0.00 C ATOM 602 OE1 GLN B 20 10.942 14.707 0.758 1.00 0.00 O ATOM 603 NE2 GLN B 20 12.269 13.563 2.151 1.00 0.00 N ATOM 0 H GLN B 20 7.387 12.045 3.439 1.00 0.00 H new ATOM 0 HA GLN B 20 9.035 14.000 1.925 1.00 0.00 H new ATOM 0 HB2 GLN B 20 9.948 11.601 2.695 1.00 0.00 H new ATOM 0 HB3 GLN B 20 9.017 11.069 1.309 1.00 0.00 H new ATOM 0 HG2 GLN B 20 11.424 11.545 0.815 1.00 0.00 H new ATOM 0 HG3 GLN B 20 10.293 12.423 -0.196 1.00 0.00 H new ATOM 0 HE21 GLN B 20 12.546 12.655 2.525 1.00 0.00 H new ATOM 0 HE22 GLN B 20 12.730 14.412 2.479 1.00 0.00 H new ATOM 612 N ASP B 21 7.272 14.078 0.189 1.00 0.00 N ATOM 613 CA ASP B 21 6.211 14.173 -0.817 1.00 0.00 C ATOM 614 C ASP B 21 6.571 13.445 -2.112 1.00 0.00 C ATOM 615 O ASP B 21 7.748 13.282 -2.448 1.00 0.00 O ATOM 616 CB ASP B 21 5.897 15.641 -1.107 1.00 0.00 C ATOM 617 CG ASP B 21 4.417 15.883 -1.327 1.00 0.00 C ATOM 618 OD1 ASP B 21 3.924 15.596 -2.434 1.00 0.00 O ATOM 619 OD2 ASP B 21 3.745 16.377 -0.396 1.00 0.00 O ATOM 0 H ASP B 21 7.874 14.900 0.246 1.00 0.00 H new ATOM 0 HA ASP B 21 5.328 13.683 -0.407 1.00 0.00 H new ATOM 0 HB2 ASP B 21 6.243 16.255 -0.275 1.00 0.00 H new ATOM 0 HB3 ASP B 21 6.450 15.960 -1.990 1.00 0.00 H new ATOM 624 N GLY B 22 5.543 13.004 -2.831 1.00 0.00 N ATOM 625 CA GLY B 22 5.738 12.295 -4.080 1.00 0.00 C ATOM 626 C GLY B 22 4.426 11.906 -4.742 1.00 0.00 C ATOM 627 O GLY B 22 3.397 12.535 -4.510 1.00 0.00 O ATOM 0 H GLY B 22 4.566 13.128 -2.565 1.00 0.00 H new ATOM 0 HA2 GLY B 22 6.314 12.920 -4.762 1.00 0.00 H new ATOM 0 HA3 GLY B 22 6.328 11.397 -3.896 1.00 0.00 H new ATOM 631 N ALA B 23 4.462 10.857 -5.552 1.00 0.00 N ATOM 632 CA ALA B 23 3.281 10.370 -6.259 1.00 0.00 C ATOM 633 C ALA B 23 3.112 8.875 -6.016 1.00 0.00 C ATOM 634 O ALA B 23 4.067 8.104 -6.133 1.00 0.00 O ATOM 635 CB ALA B 23 3.394 10.664 -7.746 1.00 0.00 C ATOM 0 H ALA B 23 5.308 10.319 -5.739 1.00 0.00 H new ATOM 0 HA ALA B 23 2.401 10.887 -5.878 1.00 0.00 H new ATOM 0 HB1 ALA B 23 2.506 10.295 -8.258 1.00 0.00 H new ATOM 0 HB2 ALA B 23 3.480 11.740 -7.899 1.00 0.00 H new ATOM 0 HB3 ALA B 23 4.277 10.169 -8.149 1.00 0.00 H new ATOM 641 N LEU B 24 1.901 8.479 -5.671 1.00 0.00 N ATOM 642 CA LEU B 24 1.586 7.086 -5.384 1.00 0.00 C ATOM 643 C LEU B 24 0.972 6.415 -6.613 1.00 0.00 C ATOM 644 O LEU B 24 0.213 7.034 -7.345 1.00 0.00 O ATOM 645 CB LEU B 24 0.617 7.032 -4.199 1.00 0.00 C ATOM 646 CG LEU B 24 0.163 5.635 -3.781 1.00 0.00 C ATOM 647 CD1 LEU B 24 1.073 5.035 -2.735 1.00 0.00 C ATOM 648 CD2 LEU B 24 -1.266 5.675 -3.270 1.00 0.00 C ATOM 0 H LEU B 24 1.106 9.111 -5.581 1.00 0.00 H new ATOM 0 HA LEU B 24 2.499 6.548 -5.130 1.00 0.00 H new ATOM 0 HB2 LEU B 24 1.091 7.512 -3.343 1.00 0.00 H new ATOM 0 HB3 LEU B 24 -0.265 7.622 -4.447 1.00 0.00 H new ATOM 0 HG LEU B 24 0.212 4.999 -4.665 1.00 0.00 H new ATOM 0 HD11 LEU B 24 0.713 4.042 -2.467 1.00 0.00 H new ATOM 0 HD12 LEU B 24 2.085 4.959 -3.133 1.00 0.00 H new ATOM 0 HD13 LEU B 24 1.078 5.671 -1.849 1.00 0.00 H new ATOM 0 HD21 LEU B 24 -1.575 4.672 -2.976 1.00 0.00 H new ATOM 0 HD22 LEU B 24 -1.326 6.340 -2.409 1.00 0.00 H new ATOM 0 HD23 LEU B 24 -1.924 6.041 -4.058 1.00 0.00 H new ATOM 660 N TYR B 25 1.320 5.162 -6.853 1.00 0.00 N ATOM 661 CA TYR B 25 0.793 4.425 -7.996 1.00 0.00 C ATOM 662 C TYR B 25 0.375 3.023 -7.561 1.00 0.00 C ATOM 663 O TYR B 25 1.194 2.252 -7.067 1.00 0.00 O ATOM 664 CB TYR B 25 1.840 4.314 -9.114 1.00 0.00 C ATOM 665 CG TYR B 25 2.499 5.617 -9.511 1.00 0.00 C ATOM 666 CD1 TYR B 25 3.663 6.049 -8.885 1.00 0.00 C ATOM 667 CD2 TYR B 25 1.969 6.406 -10.523 1.00 0.00 C ATOM 668 CE1 TYR B 25 4.277 7.230 -9.256 1.00 0.00 C ATOM 669 CE2 TYR B 25 2.577 7.589 -10.898 1.00 0.00 C ATOM 670 CZ TYR B 25 3.730 7.995 -10.262 1.00 0.00 C ATOM 671 OH TYR B 25 4.339 9.171 -10.636 1.00 0.00 O ATOM 0 H TYR B 25 1.967 4.630 -6.271 1.00 0.00 H new ATOM 0 HA TYR B 25 -0.070 4.970 -8.378 1.00 0.00 H new ATOM 0 HB2 TYR B 25 2.614 3.616 -8.797 1.00 0.00 H new ATOM 0 HB3 TYR B 25 1.364 3.883 -9.995 1.00 0.00 H new ATOM 0 HD1 TYR B 25 4.094 5.451 -8.096 1.00 0.00 H new ATOM 0 HD2 TYR B 25 1.067 6.090 -11.025 1.00 0.00 H new ATOM 0 HE1 TYR B 25 5.181 7.551 -8.760 1.00 0.00 H new ATOM 0 HE2 TYR B 25 2.151 8.192 -11.686 1.00 0.00 H new ATOM 0 HH TYR B 25 3.827 9.589 -11.360 1.00 0.00 H new ATOM 681 N LEU B 26 -0.892 2.689 -7.736 1.00 0.00 N ATOM 682 CA LEU B 26 -1.375 1.373 -7.341 1.00 0.00 C ATOM 683 C LEU B 26 -1.475 0.446 -8.541 1.00 0.00 C ATOM 684 O LEU B 26 -2.249 0.698 -9.468 1.00 0.00 O ATOM 685 CB LEU B 26 -2.734 1.465 -6.649 1.00 0.00 C ATOM 686 CG LEU B 26 -2.837 2.518 -5.551 1.00 0.00 C ATOM 687 CD1 LEU B 26 -4.106 2.342 -4.752 1.00 0.00 C ATOM 688 CD2 LEU B 26 -1.659 2.464 -4.618 1.00 0.00 C ATOM 0 H LEU B 26 -1.599 3.301 -8.144 1.00 0.00 H new ATOM 0 HA LEU B 26 -0.652 0.963 -6.636 1.00 0.00 H new ATOM 0 HB2 LEU B 26 -3.493 1.674 -7.402 1.00 0.00 H new ATOM 0 HB3 LEU B 26 -2.971 0.492 -6.219 1.00 0.00 H new ATOM 0 HG LEU B 26 -2.849 3.489 -6.046 1.00 0.00 H new ATOM 0 HD11 LEU B 26 -4.156 3.105 -3.975 1.00 0.00 H new ATOM 0 HD12 LEU B 26 -4.968 2.439 -5.412 1.00 0.00 H new ATOM 0 HD13 LEU B 26 -4.112 1.354 -4.291 1.00 0.00 H new ATOM 0 HD21 LEU B 26 -1.768 3.229 -3.849 1.00 0.00 H new ATOM 0 HD22 LEU B 26 -1.612 1.482 -4.148 1.00 0.00 H new ATOM 0 HD23 LEU B 26 -0.742 2.642 -5.179 1.00 0.00 H new ATOM 700 N MET B 27 -0.684 -0.612 -8.525 1.00 0.00 N ATOM 701 CA MET B 27 -0.689 -1.595 -9.596 1.00 0.00 C ATOM 702 C MET B 27 -1.644 -2.718 -9.252 1.00 0.00 C ATOM 703 O MET B 27 -2.011 -2.893 -8.094 1.00 0.00 O ATOM 704 CB MET B 27 0.704 -2.165 -9.836 1.00 0.00 C ATOM 705 CG MET B 27 1.711 -1.139 -10.316 1.00 0.00 C ATOM 706 SD MET B 27 2.469 -0.215 -8.970 1.00 0.00 S ATOM 707 CE MET B 27 3.610 0.805 -9.893 1.00 0.00 C ATOM 0 H MET B 27 -0.023 -0.814 -7.775 1.00 0.00 H new ATOM 0 HA MET B 27 -1.014 -1.097 -10.510 1.00 0.00 H new ATOM 0 HB2 MET B 27 1.068 -2.612 -8.911 1.00 0.00 H new ATOM 0 HB3 MET B 27 0.637 -2.966 -10.572 1.00 0.00 H new ATOM 0 HG2 MET B 27 2.490 -1.643 -10.888 1.00 0.00 H new ATOM 0 HG3 MET B 27 1.217 -0.443 -10.994 1.00 0.00 H new ATOM 0 HE1 MET B 27 4.610 0.707 -9.470 1.00 0.00 H new ATOM 0 HE2 MET B 27 3.623 0.485 -10.935 1.00 0.00 H new ATOM 0 HE3 MET B 27 3.294 1.847 -9.838 1.00 0.00 H new ATOM 717 N ALA B 28 -2.007 -3.495 -10.255 1.00 0.00 N ATOM 718 CA ALA B 28 -2.952 -4.595 -10.089 1.00 0.00 C ATOM 719 C ALA B 28 -2.570 -5.559 -8.964 1.00 0.00 C ATOM 720 O ALA B 28 -3.432 -6.010 -8.216 1.00 0.00 O ATOM 721 CB ALA B 28 -3.098 -5.351 -11.400 1.00 0.00 C ATOM 0 H ALA B 28 -1.659 -3.386 -11.208 1.00 0.00 H new ATOM 0 HA ALA B 28 -3.905 -4.150 -9.803 1.00 0.00 H new ATOM 0 HB1 ALA B 28 -3.804 -6.171 -11.270 1.00 0.00 H new ATOM 0 HB2 ALA B 28 -3.465 -4.674 -12.171 1.00 0.00 H new ATOM 0 HB3 ALA B 28 -2.129 -5.751 -11.699 1.00 0.00 H new ATOM 727 N GLU B 29 -1.287 -5.865 -8.828 1.00 0.00 N ATOM 728 CA GLU B 29 -0.848 -6.807 -7.805 1.00 0.00 C ATOM 729 C GLU B 29 -0.052 -6.152 -6.672 1.00 0.00 C ATOM 730 O GLU B 29 0.266 -6.815 -5.676 1.00 0.00 O ATOM 731 CB GLU B 29 0.000 -7.914 -8.441 1.00 0.00 C ATOM 732 CG GLU B 29 -0.765 -8.806 -9.410 1.00 0.00 C ATOM 733 CD GLU B 29 -0.877 -8.217 -10.805 1.00 0.00 C ATOM 734 OE1 GLU B 29 -1.653 -8.761 -11.621 1.00 0.00 O ATOM 735 OE2 GLU B 29 -0.193 -7.211 -11.097 1.00 0.00 O ATOM 0 H GLU B 29 -0.539 -5.481 -9.405 1.00 0.00 H new ATOM 0 HA GLU B 29 -1.755 -7.220 -7.362 1.00 0.00 H new ATOM 0 HB2 GLU B 29 0.837 -7.457 -8.969 1.00 0.00 H new ATOM 0 HB3 GLU B 29 0.422 -8.534 -7.650 1.00 0.00 H new ATOM 0 HG2 GLU B 29 -0.269 -9.775 -9.471 1.00 0.00 H new ATOM 0 HG3 GLU B 29 -1.766 -8.984 -9.017 1.00 0.00 H new ATOM 742 N ARG B 30 0.245 -4.860 -6.772 1.00 0.00 N ATOM 743 CA ARG B 30 1.041 -4.223 -5.723 1.00 0.00 C ATOM 744 C ARG B 30 0.911 -2.707 -5.730 1.00 0.00 C ATOM 745 O ARG B 30 0.548 -2.109 -6.731 1.00 0.00 O ATOM 746 CB ARG B 30 2.520 -4.624 -5.861 1.00 0.00 C ATOM 747 CG ARG B 30 3.325 -3.770 -6.834 1.00 0.00 C ATOM 748 CD ARG B 30 4.772 -4.239 -6.911 1.00 0.00 C ATOM 749 NE ARG B 30 5.611 -3.319 -7.676 1.00 0.00 N ATOM 750 CZ ARG B 30 6.103 -3.592 -8.888 1.00 0.00 C ATOM 751 NH1 ARG B 30 5.896 -4.776 -9.447 1.00 0.00 N ATOM 752 NH2 ARG B 30 6.812 -2.681 -9.541 1.00 0.00 N ATOM 0 H ARG B 30 -0.040 -4.250 -7.538 1.00 0.00 H new ATOM 0 HA ARG B 30 0.651 -4.576 -4.768 1.00 0.00 H new ATOM 0 HB2 ARG B 30 2.990 -4.571 -4.879 1.00 0.00 H new ATOM 0 HB3 ARG B 30 2.572 -5.664 -6.184 1.00 0.00 H new ATOM 0 HG2 ARG B 30 2.872 -3.817 -7.824 1.00 0.00 H new ATOM 0 HG3 ARG B 30 3.294 -2.727 -6.518 1.00 0.00 H new ATOM 0 HD2 ARG B 30 5.173 -4.341 -5.903 1.00 0.00 H new ATOM 0 HD3 ARG B 30 4.808 -5.227 -7.369 1.00 0.00 H new ATOM 0 HE ARG B 30 5.834 -2.415 -7.260 1.00 0.00 H new ATOM 0 HH11 ARG B 30 5.358 -5.487 -8.952 1.00 0.00 H new ATOM 0 HH12 ARG B 30 6.275 -4.976 -10.373 1.00 0.00 H new ATOM 0 HH21 ARG B 30 6.983 -1.769 -9.118 1.00 0.00 H new ATOM 0 HH22 ARG B 30 7.186 -2.893 -10.466 1.00 0.00 H new ATOM 766 N ILE B 31 1.222 -2.104 -4.595 1.00 0.00 N ATOM 767 CA ILE B 31 1.168 -0.660 -4.438 1.00 0.00 C ATOM 768 C ILE B 31 2.590 -0.105 -4.423 1.00 0.00 C ATOM 769 O ILE B 31 3.451 -0.601 -3.689 1.00 0.00 O ATOM 770 CB ILE B 31 0.430 -0.253 -3.135 1.00 0.00 C ATOM 771 CG1 ILE B 31 0.874 1.142 -2.673 1.00 0.00 C ATOM 772 CG2 ILE B 31 0.661 -1.286 -2.035 1.00 0.00 C ATOM 773 CD1 ILE B 31 0.065 1.692 -1.520 1.00 0.00 C ATOM 0 H ILE B 31 1.519 -2.602 -3.756 1.00 0.00 H new ATOM 0 HA ILE B 31 0.610 -0.244 -5.277 1.00 0.00 H new ATOM 0 HB ILE B 31 -0.639 -0.218 -3.347 1.00 0.00 H new ATOM 0 HG12 ILE B 31 1.923 1.100 -2.381 1.00 0.00 H new ATOM 0 HG13 ILE B 31 0.805 1.832 -3.514 1.00 0.00 H new ATOM 0 HG21 ILE B 31 0.134 -0.979 -1.131 1.00 0.00 H new ATOM 0 HG22 ILE B 31 0.286 -2.256 -2.362 1.00 0.00 H new ATOM 0 HG23 ILE B 31 1.728 -1.361 -1.825 1.00 0.00 H new ATOM 0 HD11 ILE B 31 0.439 2.680 -1.252 1.00 0.00 H new ATOM 0 HD12 ILE B 31 -0.982 1.768 -1.814 1.00 0.00 H new ATOM 0 HD13 ILE B 31 0.154 1.025 -0.662 1.00 0.00 H new ATOM 785 N ALA B 32 2.841 0.897 -5.249 1.00 0.00 N ATOM 786 CA ALA B 32 4.154 1.511 -5.316 1.00 0.00 C ATOM 787 C ALA B 32 4.041 3.022 -5.209 1.00 0.00 C ATOM 788 O ALA B 32 3.010 3.601 -5.534 1.00 0.00 O ATOM 789 CB ALA B 32 4.863 1.117 -6.602 1.00 0.00 C ATOM 0 H ALA B 32 2.152 1.302 -5.882 1.00 0.00 H new ATOM 0 HA ALA B 32 4.746 1.150 -4.475 1.00 0.00 H new ATOM 0 HB1 ALA B 32 5.846 1.587 -6.634 1.00 0.00 H new ATOM 0 HB2 ALA B 32 4.978 0.034 -6.637 1.00 0.00 H new ATOM 0 HB3 ALA B 32 4.275 1.448 -7.458 1.00 0.00 H new ATOM 795 N TRP B 33 5.087 3.657 -4.727 1.00 0.00 N ATOM 796 CA TRP B 33 5.093 5.102 -4.584 1.00 0.00 C ATOM 797 C TRP B 33 6.501 5.643 -4.810 1.00 0.00 C ATOM 798 O TRP B 33 7.487 5.016 -4.410 1.00 0.00 O ATOM 799 CB TRP B 33 4.534 5.482 -3.204 1.00 0.00 C ATOM 800 CG TRP B 33 4.728 6.917 -2.817 1.00 0.00 C ATOM 801 CD1 TRP B 33 3.827 7.922 -2.981 1.00 0.00 C ATOM 802 CD2 TRP B 33 5.877 7.508 -2.192 1.00 0.00 C ATOM 803 NE1 TRP B 33 4.339 9.101 -2.516 1.00 0.00 N ATOM 804 CE2 TRP B 33 5.598 8.876 -2.023 1.00 0.00 C ATOM 805 CE3 TRP B 33 7.116 7.018 -1.765 1.00 0.00 C ATOM 806 CZ2 TRP B 33 6.508 9.757 -1.445 1.00 0.00 C ATOM 807 CZ3 TRP B 33 8.017 7.893 -1.191 1.00 0.00 C ATOM 808 CH2 TRP B 33 7.709 9.249 -1.036 1.00 0.00 C ATOM 0 H TRP B 33 5.947 3.198 -4.426 1.00 0.00 H new ATOM 0 HA TRP B 33 4.450 5.557 -5.338 1.00 0.00 H new ATOM 0 HB2 TRP B 33 3.468 5.257 -3.186 1.00 0.00 H new ATOM 0 HB3 TRP B 33 5.006 4.851 -2.451 1.00 0.00 H new ATOM 0 HD1 TRP B 33 2.846 7.805 -3.417 1.00 0.00 H new ATOM 0 HE1 TRP B 33 3.862 10.002 -2.533 1.00 0.00 H new ATOM 0 HE3 TRP B 33 7.363 5.973 -1.882 1.00 0.00 H new ATOM 0 HZ2 TRP B 33 6.273 10.804 -1.324 1.00 0.00 H new ATOM 0 HZ3 TRP B 33 8.975 7.525 -0.856 1.00 0.00 H new ATOM 0 HH2 TRP B 33 8.435 9.908 -0.584 1.00 0.00 H new ATOM 819 N ALA B 34 6.591 6.791 -5.466 1.00 0.00 N ATOM 820 CA ALA B 34 7.875 7.411 -5.752 1.00 0.00 C ATOM 821 C ALA B 34 7.889 8.864 -5.297 1.00 0.00 C ATOM 822 O ALA B 34 6.873 9.555 -5.381 1.00 0.00 O ATOM 823 CB ALA B 34 8.180 7.325 -7.240 1.00 0.00 C ATOM 0 H ALA B 34 5.786 7.313 -5.811 1.00 0.00 H new ATOM 0 HA ALA B 34 8.645 6.872 -5.200 1.00 0.00 H new ATOM 0 HB1 ALA B 34 9.144 7.793 -7.441 1.00 0.00 H new ATOM 0 HB2 ALA B 34 8.213 6.279 -7.545 1.00 0.00 H new ATOM 0 HB3 ALA B 34 7.402 7.842 -7.801 1.00 0.00 H new ATOM 829 N PRO B 35 9.039 9.341 -4.795 1.00 0.00 N ATOM 830 CA PRO B 35 9.189 10.724 -4.337 1.00 0.00 C ATOM 831 C PRO B 35 9.056 11.710 -5.494 1.00 0.00 C ATOM 832 O PRO B 35 9.341 11.370 -6.647 1.00 0.00 O ATOM 833 CB PRO B 35 10.608 10.775 -3.755 1.00 0.00 C ATOM 834 CG PRO B 35 11.032 9.353 -3.597 1.00 0.00 C ATOM 835 CD PRO B 35 10.278 8.571 -4.633 1.00 0.00 C ATOM 0 HA PRO B 35 8.421 11.001 -3.615 1.00 0.00 H new ATOM 0 HB2 PRO B 35 11.284 11.314 -4.419 1.00 0.00 H new ATOM 0 HB3 PRO B 35 10.620 11.296 -2.797 1.00 0.00 H new ATOM 0 HG2 PRO B 35 12.108 9.250 -3.739 1.00 0.00 H new ATOM 0 HG3 PRO B 35 10.806 8.989 -2.595 1.00 0.00 H new ATOM 0 HD2 PRO B 35 10.834 8.500 -5.568 1.00 0.00 H new ATOM 0 HD3 PRO B 35 10.079 7.552 -4.303 1.00 0.00 H new ATOM 843 N GLU B 36 8.626 12.926 -5.188 1.00 0.00 N ATOM 844 CA GLU B 36 8.455 13.947 -6.208 1.00 0.00 C ATOM 845 C GLU B 36 9.804 14.319 -6.812 1.00 0.00 C ATOM 846 O GLU B 36 10.692 14.819 -6.120 1.00 0.00 O ATOM 847 CB GLU B 36 7.769 15.182 -5.621 1.00 0.00 C ATOM 848 CG GLU B 36 7.181 16.110 -6.671 1.00 0.00 C ATOM 849 CD GLU B 36 6.070 16.978 -6.119 1.00 0.00 C ATOM 850 OE1 GLU B 36 4.886 16.700 -6.413 1.00 0.00 O ATOM 851 OE2 GLU B 36 6.369 17.931 -5.368 1.00 0.00 O ATOM 0 H GLU B 36 8.390 13.228 -4.243 1.00 0.00 H new ATOM 0 HA GLU B 36 7.820 13.547 -6.998 1.00 0.00 H new ATOM 0 HB2 GLU B 36 6.975 14.860 -4.947 1.00 0.00 H new ATOM 0 HB3 GLU B 36 8.490 15.737 -5.021 1.00 0.00 H new ATOM 0 HG2 GLU B 36 7.970 16.746 -7.072 1.00 0.00 H new ATOM 0 HG3 GLU B 36 6.797 15.517 -7.501 1.00 0.00 H new ATOM 858 N GLY B 37 9.957 14.044 -8.099 1.00 0.00 N ATOM 859 CA GLY B 37 11.197 14.348 -8.779 1.00 0.00 C ATOM 860 C GLY B 37 12.102 13.137 -8.894 1.00 0.00 C ATOM 861 O GLY B 37 13.260 13.255 -9.293 1.00 0.00 O ATOM 0 H GLY B 37 9.241 13.614 -8.685 1.00 0.00 H new ATOM 0 HA2 GLY B 37 10.978 14.731 -9.776 1.00 0.00 H new ATOM 0 HA3 GLY B 37 11.719 15.139 -8.241 1.00 0.00 H new ATOM 865 N LYS B 38 11.586 11.967 -8.539 1.00 0.00 N ATOM 866 CA LYS B 38 12.375 10.750 -8.620 1.00 0.00 C ATOM 867 C LYS B 38 11.959 9.892 -9.804 1.00 0.00 C ATOM 868 O LYS B 38 10.788 9.821 -10.170 1.00 0.00 O ATOM 869 CB LYS B 38 12.302 9.948 -7.321 1.00 0.00 C ATOM 870 CG LYS B 38 13.582 10.018 -6.492 1.00 0.00 C ATOM 871 CD LYS B 38 14.772 9.396 -7.218 1.00 0.00 C ATOM 872 CE LYS B 38 15.526 10.422 -8.062 1.00 0.00 C ATOM 873 NZ LYS B 38 16.539 9.782 -8.950 1.00 0.00 N ATOM 0 H LYS B 38 10.634 11.838 -8.196 1.00 0.00 H new ATOM 0 HA LYS B 38 13.411 11.051 -8.772 1.00 0.00 H new ATOM 0 HB2 LYS B 38 11.469 10.316 -6.722 1.00 0.00 H new ATOM 0 HB3 LYS B 38 12.088 8.906 -7.558 1.00 0.00 H new ATOM 0 HG2 LYS B 38 13.805 11.059 -6.258 1.00 0.00 H new ATOM 0 HG3 LYS B 38 13.428 9.504 -5.544 1.00 0.00 H new ATOM 0 HD2 LYS B 38 15.452 8.956 -6.489 1.00 0.00 H new ATOM 0 HD3 LYS B 38 14.423 8.586 -7.858 1.00 0.00 H new ATOM 0 HE2 LYS B 38 14.816 10.984 -8.669 1.00 0.00 H new ATOM 0 HE3 LYS B 38 16.021 11.138 -7.405 1.00 0.00 H new ATOM 0 HZ1 LYS B 38 16.558 10.274 -9.866 1.00 0.00 H new ATOM 0 HZ2 LYS B 38 17.477 9.841 -8.505 1.00 0.00 H new ATOM 0 HZ3 LYS B 38 16.289 8.784 -9.099 1.00 0.00 H new ATOM 887 N ASP B 39 12.956 9.247 -10.381 1.00 0.00 N ATOM 888 CA ASP B 39 12.797 8.384 -11.543 1.00 0.00 C ATOM 889 C ASP B 39 12.417 6.966 -11.138 1.00 0.00 C ATOM 890 O ASP B 39 11.848 6.212 -11.926 1.00 0.00 O ATOM 891 CB ASP B 39 14.124 8.346 -12.311 1.00 0.00 C ATOM 892 CG ASP B 39 15.320 8.516 -11.383 1.00 0.00 C ATOM 893 OD1 ASP B 39 15.382 7.828 -10.335 1.00 0.00 O ATOM 894 OD2 ASP B 39 16.176 9.377 -11.654 1.00 0.00 O ATOM 0 H ASP B 39 13.919 9.308 -10.051 1.00 0.00 H new ATOM 0 HA ASP B 39 11.997 8.785 -12.165 1.00 0.00 H new ATOM 0 HB2 ASP B 39 14.209 7.399 -12.843 1.00 0.00 H new ATOM 0 HB3 ASP B 39 14.132 9.136 -13.062 1.00 0.00 H new ATOM 899 N ARG B 40 12.728 6.607 -9.903 1.00 0.00 N ATOM 900 CA ARG B 40 12.440 5.273 -9.412 1.00 0.00 C ATOM 901 C ARG B 40 11.552 5.310 -8.177 1.00 0.00 C ATOM 902 O ARG B 40 11.600 6.255 -7.389 1.00 0.00 O ATOM 903 CB ARG B 40 13.742 4.536 -9.091 1.00 0.00 C ATOM 904 CG ARG B 40 14.565 5.196 -7.996 1.00 0.00 C ATOM 905 CD ARG B 40 15.316 4.167 -7.165 1.00 0.00 C ATOM 906 NE ARG B 40 14.413 3.361 -6.340 1.00 0.00 N ATOM 907 CZ ARG B 40 14.819 2.444 -5.462 1.00 0.00 C ATOM 908 NH1 ARG B 40 16.116 2.222 -5.274 1.00 0.00 N ATOM 909 NH2 ARG B 40 13.921 1.751 -4.771 1.00 0.00 N ATOM 0 H ARG B 40 13.179 7.221 -9.225 1.00 0.00 H new ATOM 0 HA ARG B 40 11.904 4.741 -10.198 1.00 0.00 H new ATOM 0 HB2 ARG B 40 13.506 3.515 -8.791 1.00 0.00 H new ATOM 0 HB3 ARG B 40 14.345 4.471 -9.997 1.00 0.00 H new ATOM 0 HG2 ARG B 40 15.275 5.892 -8.443 1.00 0.00 H new ATOM 0 HG3 ARG B 40 13.910 5.780 -7.349 1.00 0.00 H new ATOM 0 HD2 ARG B 40 15.884 3.512 -7.826 1.00 0.00 H new ATOM 0 HD3 ARG B 40 16.036 4.675 -6.524 1.00 0.00 H new ATOM 0 HE ARG B 40 13.409 3.511 -6.444 1.00 0.00 H new ATOM 0 HH11 ARG B 40 16.807 2.755 -5.803 1.00 0.00 H new ATOM 0 HH12 ARG B 40 16.421 1.519 -4.601 1.00 0.00 H new ATOM 0 HH21 ARG B 40 12.925 1.922 -4.913 1.00 0.00 H new ATOM 0 HH22 ARG B 40 14.227 1.048 -4.098 1.00 0.00 H new ATOM 923 N PHE B 41 10.756 4.263 -8.015 1.00 0.00 N ATOM 924 CA PHE B 41 9.859 4.149 -6.876 1.00 0.00 C ATOM 925 C PHE B 41 10.626 3.674 -5.649 1.00 0.00 C ATOM 926 O PHE B 41 11.547 2.860 -5.758 1.00 0.00 O ATOM 927 CB PHE B 41 8.724 3.162 -7.178 1.00 0.00 C ATOM 928 CG PHE B 41 8.111 3.318 -8.543 1.00 0.00 C ATOM 929 CD1 PHE B 41 7.147 4.285 -8.780 1.00 0.00 C ATOM 930 CD2 PHE B 41 8.496 2.491 -9.586 1.00 0.00 C ATOM 931 CE1 PHE B 41 6.578 4.421 -10.033 1.00 0.00 C ATOM 932 CE2 PHE B 41 7.930 2.624 -10.841 1.00 0.00 C ATOM 933 CZ PHE B 41 6.971 3.592 -11.064 1.00 0.00 C ATOM 0 H PHE B 41 10.714 3.476 -8.663 1.00 0.00 H new ATOM 0 HA PHE B 41 9.432 5.133 -6.680 1.00 0.00 H new ATOM 0 HB2 PHE B 41 9.106 2.146 -7.079 1.00 0.00 H new ATOM 0 HB3 PHE B 41 7.944 3.284 -6.427 1.00 0.00 H new ATOM 0 HD1 PHE B 41 6.837 4.939 -7.978 1.00 0.00 H new ATOM 0 HD2 PHE B 41 9.247 1.734 -9.417 1.00 0.00 H new ATOM 0 HE1 PHE B 41 5.826 5.176 -10.205 1.00 0.00 H new ATOM 0 HE2 PHE B 41 8.238 1.972 -11.645 1.00 0.00 H new ATOM 0 HZ PHE B 41 6.529 3.700 -12.044 1.00 0.00 H new ATOM 943 N THR B 42 10.258 4.190 -4.491 1.00 0.00 N ATOM 944 CA THR B 42 10.901 3.808 -3.244 1.00 0.00 C ATOM 945 C THR B 42 10.007 2.864 -2.451 1.00 0.00 C ATOM 946 O THR B 42 10.481 2.068 -1.644 1.00 0.00 O ATOM 947 CB THR B 42 11.226 5.045 -2.393 1.00 0.00 C ATOM 948 OG1 THR B 42 10.268 6.076 -2.664 1.00 0.00 O ATOM 949 CG2 THR B 42 12.630 5.554 -2.680 1.00 0.00 C ATOM 0 H THR B 42 9.513 4.879 -4.386 1.00 0.00 H new ATOM 0 HA THR B 42 11.832 3.298 -3.491 1.00 0.00 H new ATOM 0 HB THR B 42 11.177 4.764 -1.341 1.00 0.00 H new ATOM 0 HG1 THR B 42 9.525 6.008 -2.028 1.00 0.00 H new ATOM 0 HG21 THR B 42 12.833 6.430 -2.064 1.00 0.00 H new ATOM 0 HG22 THR B 42 13.354 4.773 -2.450 1.00 0.00 H new ATOM 0 HG23 THR B 42 12.711 5.825 -3.733 1.00 0.00 H new ATOM 957 N ILE B 43 8.710 2.961 -2.697 1.00 0.00 N ATOM 958 CA ILE B 43 7.731 2.129 -2.020 1.00 0.00 C ATOM 959 C ILE B 43 7.238 1.027 -2.949 1.00 0.00 C ATOM 960 O ILE B 43 6.806 1.306 -4.064 1.00 0.00 O ATOM 961 CB ILE B 43 6.530 2.978 -1.539 1.00 0.00 C ATOM 962 CG1 ILE B 43 6.926 3.829 -0.329 1.00 0.00 C ATOM 963 CG2 ILE B 43 5.330 2.102 -1.208 1.00 0.00 C ATOM 964 CD1 ILE B 43 7.415 3.019 0.852 1.00 0.00 C ATOM 0 H ILE B 43 8.309 3.616 -3.368 1.00 0.00 H new ATOM 0 HA ILE B 43 8.213 1.678 -1.153 1.00 0.00 H new ATOM 0 HB ILE B 43 6.242 3.643 -2.354 1.00 0.00 H new ATOM 0 HG12 ILE B 43 7.708 4.527 -0.628 1.00 0.00 H new ATOM 0 HG13 ILE B 43 6.068 4.425 -0.019 1.00 0.00 H new ATOM 0 HG21 ILE B 43 4.503 2.729 -0.873 1.00 0.00 H new ATOM 0 HG22 ILE B 43 5.028 1.547 -2.097 1.00 0.00 H new ATOM 0 HG23 ILE B 43 5.598 1.402 -0.417 1.00 0.00 H new ATOM 0 HD11 ILE B 43 7.677 3.690 1.670 1.00 0.00 H new ATOM 0 HD12 ILE B 43 6.628 2.339 1.178 1.00 0.00 H new ATOM 0 HD13 ILE B 43 8.293 2.443 0.560 1.00 0.00 H new ATOM 976 N SER B 44 7.351 -0.217 -2.506 1.00 0.00 N ATOM 977 CA SER B 44 6.895 -1.353 -3.288 1.00 0.00 C ATOM 978 C SER B 44 6.408 -2.462 -2.363 1.00 0.00 C ATOM 979 O SER B 44 7.210 -3.190 -1.778 1.00 0.00 O ATOM 980 CB SER B 44 8.027 -1.863 -4.185 1.00 0.00 C ATOM 981 OG SER B 44 7.541 -2.754 -5.177 1.00 0.00 O ATOM 0 H SER B 44 7.757 -0.464 -1.604 1.00 0.00 H new ATOM 0 HA SER B 44 6.065 -1.038 -3.921 1.00 0.00 H new ATOM 0 HB2 SER B 44 8.522 -1.018 -4.664 1.00 0.00 H new ATOM 0 HB3 SER B 44 8.776 -2.368 -3.576 1.00 0.00 H new ATOM 0 HG SER B 44 8.286 -3.061 -5.735 1.00 0.00 H new ATOM 987 N HIS B 45 5.095 -2.580 -2.223 1.00 0.00 N ATOM 988 CA HIS B 45 4.507 -3.605 -1.367 1.00 0.00 C ATOM 989 C HIS B 45 3.427 -4.353 -2.129 1.00 0.00 C ATOM 990 O HIS B 45 2.645 -3.741 -2.857 1.00 0.00 O ATOM 991 CB HIS B 45 3.885 -2.990 -0.104 1.00 0.00 C ATOM 992 CG HIS B 45 4.773 -2.034 0.628 1.00 0.00 C ATOM 993 ND1 HIS B 45 5.718 -2.412 1.557 1.00 0.00 N ATOM 994 CD2 HIS B 45 4.845 -0.682 0.551 1.00 0.00 C ATOM 995 CE1 HIS B 45 6.322 -1.302 2.004 1.00 0.00 C ATOM 996 NE2 HIS B 45 5.829 -0.226 1.421 1.00 0.00 N ATOM 0 H HIS B 45 4.416 -1.980 -2.690 1.00 0.00 H new ATOM 0 HA HIS B 45 5.304 -4.287 -1.069 1.00 0.00 H new ATOM 0 HB2 HIS B 45 2.967 -2.472 -0.383 1.00 0.00 H new ATOM 0 HB3 HIS B 45 3.603 -3.795 0.575 1.00 0.00 H new ATOM 0 HD1 HIS B 45 5.922 -3.367 1.852 1.00 0.00 H new ATOM 0 HD2 HIS B 45 4.235 -0.058 -0.085 1.00 0.00 H new ATOM 0 HE1 HIS B 45 7.109 -1.290 2.744 1.00 0.00 H new ATOM 1004 N MET B 46 3.376 -5.664 -1.976 1.00 0.00 N ATOM 1005 CA MET B 46 2.364 -6.450 -2.657 1.00 0.00 C ATOM 1006 C MET B 46 1.142 -6.574 -1.766 1.00 0.00 C ATOM 1007 O MET B 46 1.262 -6.646 -0.548 1.00 0.00 O ATOM 1008 CB MET B 46 2.893 -7.835 -3.044 1.00 0.00 C ATOM 1009 CG MET B 46 3.918 -7.797 -4.168 1.00 0.00 C ATOM 1010 SD MET B 46 4.020 -9.351 -5.081 1.00 0.00 S ATOM 1011 CE MET B 46 2.348 -9.496 -5.707 1.00 0.00 C ATOM 0 H MET B 46 4.016 -6.202 -1.392 1.00 0.00 H new ATOM 0 HA MET B 46 2.091 -5.940 -3.581 1.00 0.00 H new ATOM 0 HB2 MET B 46 3.343 -8.302 -2.168 1.00 0.00 H new ATOM 0 HB3 MET B 46 2.056 -8.464 -3.346 1.00 0.00 H new ATOM 0 HG2 MET B 46 3.663 -6.993 -4.858 1.00 0.00 H new ATOM 0 HG3 MET B 46 4.897 -7.561 -3.752 1.00 0.00 H new ATOM 0 HE1 MET B 46 2.341 -10.153 -6.577 1.00 0.00 H new ATOM 0 HE2 MET B 46 1.704 -9.912 -4.932 1.00 0.00 H new ATOM 0 HE3 MET B 46 1.980 -8.511 -5.994 1.00 0.00 H new ATOM 1021 N TYR B 47 -0.033 -6.590 -2.378 1.00 0.00 N ATOM 1022 CA TYR B 47 -1.297 -6.687 -1.642 1.00 0.00 C ATOM 1023 C TYR B 47 -1.350 -7.943 -0.776 1.00 0.00 C ATOM 1024 O TYR B 47 -2.057 -7.984 0.227 1.00 0.00 O ATOM 1025 CB TYR B 47 -2.459 -6.675 -2.633 1.00 0.00 C ATOM 1026 CG TYR B 47 -2.510 -5.411 -3.459 1.00 0.00 C ATOM 1027 CD1 TYR B 47 -2.151 -4.189 -2.904 1.00 0.00 C ATOM 1028 CD2 TYR B 47 -2.906 -5.435 -4.785 1.00 0.00 C ATOM 1029 CE1 TYR B 47 -2.187 -3.029 -3.647 1.00 0.00 C ATOM 1030 CE2 TYR B 47 -2.946 -4.276 -5.535 1.00 0.00 C ATOM 1031 CZ TYR B 47 -2.585 -3.077 -4.959 1.00 0.00 C ATOM 1032 OH TYR B 47 -2.620 -1.920 -5.701 1.00 0.00 O ATOM 0 H TYR B 47 -0.143 -6.537 -3.391 1.00 0.00 H new ATOM 0 HA TYR B 47 -1.373 -5.829 -0.974 1.00 0.00 H new ATOM 0 HB2 TYR B 47 -2.373 -7.535 -3.297 1.00 0.00 H new ATOM 0 HB3 TYR B 47 -3.397 -6.786 -2.088 1.00 0.00 H new ATOM 0 HD1 TYR B 47 -1.838 -4.147 -1.871 1.00 0.00 H new ATOM 0 HD2 TYR B 47 -3.188 -6.373 -5.240 1.00 0.00 H new ATOM 0 HE1 TYR B 47 -1.904 -2.088 -3.199 1.00 0.00 H new ATOM 0 HE2 TYR B 47 -3.259 -4.309 -6.568 1.00 0.00 H new ATOM 0 HH TYR B 47 -2.212 -2.081 -6.577 1.00 0.00 H new ATOM 1042 N ALA B 48 -0.576 -8.949 -1.153 1.00 0.00 N ATOM 1043 CA ALA B 48 -0.538 -10.204 -0.419 1.00 0.00 C ATOM 1044 C ALA B 48 0.130 -10.045 0.947 1.00 0.00 C ATOM 1045 O ALA B 48 -0.165 -10.803 1.868 1.00 0.00 O ATOM 1046 CB ALA B 48 0.176 -11.264 -1.239 1.00 0.00 C ATOM 0 H ALA B 48 0.037 -8.920 -1.967 1.00 0.00 H new ATOM 0 HA ALA B 48 -1.567 -10.518 -0.242 1.00 0.00 H new ATOM 0 HB1 ALA B 48 0.200 -12.200 -0.682 1.00 0.00 H new ATOM 0 HB2 ALA B 48 -0.354 -11.415 -2.179 1.00 0.00 H new ATOM 0 HB3 ALA B 48 1.196 -10.939 -1.445 1.00 0.00 H new ATOM 1052 N ASP B 49 1.018 -9.055 1.073 1.00 0.00 N ATOM 1053 CA ASP B 49 1.732 -8.806 2.319 1.00 0.00 C ATOM 1054 C ASP B 49 1.036 -7.731 3.131 1.00 0.00 C ATOM 1055 O ASP B 49 1.414 -7.452 4.274 1.00 0.00 O ATOM 1056 CB ASP B 49 3.146 -8.314 2.072 1.00 0.00 C ATOM 1057 CG ASP B 49 3.765 -8.809 0.777 1.00 0.00 C ATOM 1058 OD1 ASP B 49 4.017 -7.965 -0.116 1.00 0.00 O ATOM 1059 OD2 ASP B 49 4.003 -10.027 0.650 1.00 0.00 O ATOM 0 H ASP B 49 1.258 -8.411 0.319 1.00 0.00 H new ATOM 0 HA ASP B 49 1.751 -9.757 2.851 1.00 0.00 H new ATOM 0 HB2 ASP B 49 3.142 -7.224 2.065 1.00 0.00 H new ATOM 0 HB3 ASP B 49 3.777 -8.626 2.904 1.00 0.00 H new ATOM 1064 N ILE B 50 0.036 -7.106 2.547 1.00 0.00 N ATOM 1065 CA ILE B 50 -0.689 -6.072 3.249 1.00 0.00 C ATOM 1066 C ILE B 50 -1.798 -6.729 4.053 1.00 0.00 C ATOM 1067 O ILE B 50 -2.587 -7.503 3.512 1.00 0.00 O ATOM 1068 CB ILE B 50 -1.306 -5.027 2.296 1.00 0.00 C ATOM 1069 CG1 ILE B 50 -0.382 -4.744 1.103 1.00 0.00 C ATOM 1070 CG2 ILE B 50 -1.614 -3.742 3.049 1.00 0.00 C ATOM 1071 CD1 ILE B 50 0.766 -3.805 1.404 1.00 0.00 C ATOM 0 H ILE B 50 -0.290 -7.294 1.599 1.00 0.00 H new ATOM 0 HA ILE B 50 0.015 -5.544 3.893 1.00 0.00 H new ATOM 0 HB ILE B 50 -2.237 -5.437 1.905 1.00 0.00 H new ATOM 0 HG12 ILE B 50 0.024 -5.689 0.743 1.00 0.00 H new ATOM 0 HG13 ILE B 50 -0.976 -4.322 0.292 1.00 0.00 H new ATOM 0 HG21 ILE B 50 -2.049 -3.014 2.364 1.00 0.00 H new ATOM 0 HG22 ILE B 50 -2.320 -3.951 3.852 1.00 0.00 H new ATOM 0 HG23 ILE B 50 -0.694 -3.338 3.471 1.00 0.00 H new ATOM 0 HD11 ILE B 50 1.365 -3.663 0.505 1.00 0.00 H new ATOM 0 HD12 ILE B 50 0.373 -2.843 1.734 1.00 0.00 H new ATOM 0 HD13 ILE B 50 1.388 -4.231 2.191 1.00 0.00 H new ATOM 1083 N LYS B 51 -1.857 -6.432 5.335 1.00 0.00 N ATOM 1084 CA LYS B 51 -2.860 -7.012 6.201 1.00 0.00 C ATOM 1085 C LYS B 51 -4.151 -6.238 6.035 1.00 0.00 C ATOM 1086 O LYS B 51 -5.238 -6.804 5.970 1.00 0.00 O ATOM 1087 CB LYS B 51 -2.393 -6.958 7.656 1.00 0.00 C ATOM 1088 CG LYS B 51 -3.407 -7.506 8.640 1.00 0.00 C ATOM 1089 CD LYS B 51 -3.747 -6.488 9.702 1.00 0.00 C ATOM 1090 CE LYS B 51 -5.253 -6.350 9.862 1.00 0.00 C ATOM 1091 NZ LYS B 51 -5.636 -5.628 11.106 1.00 0.00 N ATOM 0 H LYS B 51 -1.218 -5.788 5.801 1.00 0.00 H new ATOM 0 HA LYS B 51 -3.021 -8.056 5.933 1.00 0.00 H new ATOM 0 HB2 LYS B 51 -1.465 -7.522 7.752 1.00 0.00 H new ATOM 0 HB3 LYS B 51 -2.167 -5.924 7.918 1.00 0.00 H new ATOM 0 HG2 LYS B 51 -4.313 -7.796 8.108 1.00 0.00 H new ATOM 0 HG3 LYS B 51 -3.011 -8.406 9.110 1.00 0.00 H new ATOM 0 HD2 LYS B 51 -3.303 -6.786 10.652 1.00 0.00 H new ATOM 0 HD3 LYS B 51 -3.316 -5.523 9.437 1.00 0.00 H new ATOM 0 HE2 LYS B 51 -5.659 -5.820 9.000 1.00 0.00 H new ATOM 0 HE3 LYS B 51 -5.706 -7.342 9.869 1.00 0.00 H new ATOM 0 HZ1 LYS B 51 -6.672 -5.563 11.164 1.00 0.00 H new ATOM 0 HZ2 LYS B 51 -5.275 -6.145 11.933 1.00 0.00 H new ATOM 0 HZ3 LYS B 51 -5.229 -4.671 11.091 1.00 0.00 H new ATOM 1105 N CYS B 52 -3.994 -4.932 5.935 1.00 0.00 N ATOM 1106 CA CYS B 52 -5.102 -4.025 5.782 1.00 0.00 C ATOM 1107 C CYS B 52 -4.554 -2.637 5.533 1.00 0.00 C ATOM 1108 O CYS B 52 -3.339 -2.449 5.451 1.00 0.00 O ATOM 1109 CB CYS B 52 -5.954 -4.016 7.044 1.00 0.00 C ATOM 1110 SG CYS B 52 -5.083 -3.383 8.494 1.00 0.00 S ATOM 0 H CYS B 52 -3.084 -4.472 5.959 1.00 0.00 H new ATOM 0 HA CYS B 52 -5.723 -4.344 4.945 1.00 0.00 H new ATOM 0 HB2 CYS B 52 -6.842 -3.409 6.869 1.00 0.00 H new ATOM 0 HB3 CYS B 52 -6.297 -5.030 7.249 1.00 0.00 H new ATOM 0 HG CYS B 52 -5.878 -3.407 9.522 1.00 0.00 H new ATOM 1116 N GLN B 53 -5.424 -1.668 5.412 1.00 0.00 N ATOM 1117 CA GLN B 53 -4.988 -0.313 5.197 1.00 0.00 C ATOM 1118 C GLN B 53 -5.814 0.637 6.052 1.00 0.00 C ATOM 1119 O GLN B 53 -7.019 0.448 6.203 1.00 0.00 O ATOM 1120 CB GLN B 53 -5.095 0.055 3.720 1.00 0.00 C ATOM 1121 CG GLN B 53 -6.473 -0.191 3.120 1.00 0.00 C ATOM 1122 CD GLN B 53 -7.280 1.082 2.974 1.00 0.00 C ATOM 1123 OE1 GLN B 53 -8.496 1.084 3.134 1.00 0.00 O ATOM 1124 NE2 GLN B 53 -6.610 2.173 2.648 1.00 0.00 N ATOM 0 H GLN B 53 -6.435 -1.791 5.458 1.00 0.00 H new ATOM 0 HA GLN B 53 -3.942 -0.226 5.490 1.00 0.00 H new ATOM 0 HB2 GLN B 53 -4.840 1.108 3.599 1.00 0.00 H new ATOM 0 HB3 GLN B 53 -4.358 -0.519 3.159 1.00 0.00 H new ATOM 0 HG2 GLN B 53 -6.361 -0.660 2.142 1.00 0.00 H new ATOM 0 HG3 GLN B 53 -7.019 -0.893 3.750 1.00 0.00 H new ATOM 0 HE21 GLN B 53 -5.598 2.132 2.523 1.00 0.00 H new ATOM 0 HE22 GLN B 53 -7.104 3.056 2.521 1.00 0.00 H new ATOM 1133 N LYS B 54 -5.172 1.632 6.638 1.00 0.00 N ATOM 1134 CA LYS B 54 -5.887 2.595 7.455 1.00 0.00 C ATOM 1135 C LYS B 54 -6.076 3.876 6.678 1.00 0.00 C ATOM 1136 O LYS B 54 -5.274 4.201 5.806 1.00 0.00 O ATOM 1137 CB LYS B 54 -5.128 2.977 8.728 1.00 0.00 C ATOM 1138 CG LYS B 54 -4.954 1.909 9.782 1.00 0.00 C ATOM 1139 CD LYS B 54 -4.479 2.570 11.069 1.00 0.00 C ATOM 1140 CE LYS B 54 -4.296 1.602 12.226 1.00 0.00 C ATOM 1141 NZ LYS B 54 -3.298 0.543 11.923 1.00 0.00 N ATOM 0 H LYS B 54 -4.168 1.793 6.565 1.00 0.00 H new ATOM 0 HA LYS B 54 -6.831 2.120 7.724 1.00 0.00 H new ATOM 0 HB2 LYS B 54 -4.138 3.327 8.437 1.00 0.00 H new ATOM 0 HB3 LYS B 54 -5.643 3.821 9.186 1.00 0.00 H new ATOM 0 HG2 LYS B 54 -5.896 1.386 9.950 1.00 0.00 H new ATOM 0 HG3 LYS B 54 -4.231 1.164 9.450 1.00 0.00 H new ATOM 0 HD2 LYS B 54 -3.533 3.076 10.878 1.00 0.00 H new ATOM 0 HD3 LYS B 54 -5.198 3.336 11.359 1.00 0.00 H new ATOM 0 HE2 LYS B 54 -3.980 2.153 13.112 1.00 0.00 H new ATOM 0 HE3 LYS B 54 -5.253 1.139 12.464 1.00 0.00 H new ATOM 0 HZ1 LYS B 54 -2.796 0.279 12.795 1.00 0.00 H new ATOM 0 HZ2 LYS B 54 -3.784 -0.292 11.537 1.00 0.00 H new ATOM 0 HZ3 LYS B 54 -2.615 0.900 11.225 1.00 0.00 H new ATOM 1155 N ILE B 55 -7.133 4.596 6.982 1.00 0.00 N ATOM 1156 CA ILE B 55 -7.363 5.878 6.365 1.00 0.00 C ATOM 1157 C ILE B 55 -7.600 6.874 7.492 1.00 0.00 C ATOM 1158 O ILE B 55 -8.361 6.593 8.421 1.00 0.00 O ATOM 1159 CB ILE B 55 -8.546 5.886 5.346 1.00 0.00 C ATOM 1160 CG1 ILE B 55 -9.882 6.264 5.987 1.00 0.00 C ATOM 1161 CG2 ILE B 55 -8.680 4.524 4.683 1.00 0.00 C ATOM 1162 CD1 ILE B 55 -10.783 7.031 5.038 1.00 0.00 C ATOM 0 H ILE B 55 -7.846 4.313 7.654 1.00 0.00 H new ATOM 0 HA ILE B 55 -6.491 6.144 5.768 1.00 0.00 H new ATOM 0 HB ILE B 55 -8.308 6.648 4.604 1.00 0.00 H new ATOM 0 HG12 ILE B 55 -10.393 5.359 6.317 1.00 0.00 H new ATOM 0 HG13 ILE B 55 -9.697 6.867 6.876 1.00 0.00 H new ATOM 0 HG21 ILE B 55 -9.509 4.544 3.975 1.00 0.00 H new ATOM 0 HG22 ILE B 55 -7.757 4.284 4.155 1.00 0.00 H new ATOM 0 HG23 ILE B 55 -8.870 3.766 5.443 1.00 0.00 H new ATOM 0 HD11 ILE B 55 -11.718 7.275 5.542 1.00 0.00 H new ATOM 0 HD12 ILE B 55 -10.287 7.951 4.729 1.00 0.00 H new ATOM 0 HD13 ILE B 55 -10.993 6.419 4.161 1.00 0.00 H new ATOM 1174 N SER B 56 -6.887 7.984 7.474 1.00 0.00 N ATOM 1175 CA SER B 56 -7.055 8.978 8.507 1.00 0.00 C ATOM 1176 C SER B 56 -8.134 9.947 8.053 1.00 0.00 C ATOM 1177 O SER B 56 -7.974 10.659 7.039 1.00 0.00 O ATOM 1178 CB SER B 56 -5.735 9.681 8.839 1.00 0.00 C ATOM 1179 OG SER B 56 -5.533 10.840 8.062 1.00 0.00 O ATOM 0 H SER B 56 -6.194 8.215 6.762 1.00 0.00 H new ATOM 0 HA SER B 56 -7.367 8.503 9.437 1.00 0.00 H new ATOM 0 HB2 SER B 56 -5.725 9.949 9.896 1.00 0.00 H new ATOM 0 HB3 SER B 56 -4.908 8.990 8.677 1.00 0.00 H new ATOM 0 HG SER B 56 -5.004 11.488 8.573 1.00 0.00 H new ATOM 1185 N PRO B 57 -9.253 9.925 8.795 1.00 0.00 N ATOM 1186 CA PRO B 57 -10.458 10.722 8.530 1.00 0.00 C ATOM 1187 C PRO B 57 -10.285 12.217 8.746 1.00 0.00 C ATOM 1188 O PRO B 57 -9.241 12.687 9.210 1.00 0.00 O ATOM 1189 CB PRO B 57 -11.465 10.173 9.546 1.00 0.00 C ATOM 1190 CG PRO B 57 -10.621 9.682 10.667 1.00 0.00 C ATOM 1191 CD PRO B 57 -9.408 9.105 10.011 1.00 0.00 C ATOM 0 HA PRO B 57 -10.752 10.635 7.484 1.00 0.00 H new ATOM 0 HB2 PRO B 57 -12.158 10.946 9.878 1.00 0.00 H new ATOM 0 HB3 PRO B 57 -12.065 9.370 9.118 1.00 0.00 H new ATOM 0 HG2 PRO B 57 -10.355 10.492 11.346 1.00 0.00 H new ATOM 0 HG3 PRO B 57 -11.146 8.931 11.257 1.00 0.00 H new ATOM 0 HD2 PRO B 57 -8.532 9.173 10.656 1.00 0.00 H new ATOM 0 HD3 PRO B 57 -9.545 8.051 9.770 1.00 0.00 H new ATOM 1199 N GLU B 58 -11.322 12.952 8.368 1.00 0.00 N ATOM 1200 CA GLU B 58 -11.360 14.393 8.520 1.00 0.00 C ATOM 1201 C GLU B 58 -11.198 14.768 9.990 1.00 0.00 C ATOM 1202 O GLU B 58 -11.484 13.973 10.885 1.00 0.00 O ATOM 1203 CB GLU B 58 -12.677 14.953 7.967 1.00 0.00 C ATOM 1204 CG GLU B 58 -12.759 14.968 6.443 1.00 0.00 C ATOM 1205 CD GLU B 58 -12.492 13.609 5.819 1.00 0.00 C ATOM 1206 OE1 GLU B 58 -11.677 13.535 4.879 1.00 0.00 O ATOM 1207 OE2 GLU B 58 -13.074 12.610 6.287 1.00 0.00 O ATOM 0 H GLU B 58 -12.163 12.559 7.945 1.00 0.00 H new ATOM 0 HA GLU B 58 -10.536 14.828 7.955 1.00 0.00 H new ATOM 0 HB2 GLU B 58 -13.504 14.360 8.358 1.00 0.00 H new ATOM 0 HB3 GLU B 58 -12.810 15.970 8.337 1.00 0.00 H new ATOM 0 HG2 GLU B 58 -13.749 15.312 6.142 1.00 0.00 H new ATOM 0 HG3 GLU B 58 -12.039 15.688 6.053 1.00 0.00 H new ATOM 1214 N GLY B 59 -10.767 15.990 10.226 1.00 0.00 N ATOM 1215 CA GLY B 59 -10.527 16.452 11.575 1.00 0.00 C ATOM 1216 C GLY B 59 -9.052 16.691 11.761 1.00 0.00 C ATOM 1217 O GLY B 59 -8.635 17.541 12.546 1.00 0.00 O ATOM 0 H GLY B 59 -10.576 16.681 9.500 1.00 0.00 H new ATOM 0 HA2 GLY B 59 -11.083 17.371 11.762 1.00 0.00 H new ATOM 0 HA3 GLY B 59 -10.881 15.713 12.294 1.00 0.00 H new ATOM 1221 N LYS B 60 -8.270 15.928 11.012 1.00 0.00 N ATOM 1222 CA LYS B 60 -6.827 16.065 11.011 1.00 0.00 C ATOM 1223 C LYS B 60 -6.454 17.146 10.028 1.00 0.00 C ATOM 1224 O LYS B 60 -7.240 17.485 9.138 1.00 0.00 O ATOM 1225 CB LYS B 60 -6.142 14.755 10.603 1.00 0.00 C ATOM 1226 CG LYS B 60 -5.821 13.836 11.765 1.00 0.00 C ATOM 1227 CD LYS B 60 -4.757 12.803 11.394 1.00 0.00 C ATOM 1228 CE LYS B 60 -4.137 12.164 12.631 1.00 0.00 C ATOM 1229 NZ LYS B 60 -4.696 12.727 13.889 1.00 0.00 N ATOM 0 H LYS B 60 -8.620 15.199 10.390 1.00 0.00 H new ATOM 0 HA LYS B 60 -6.496 16.320 12.018 1.00 0.00 H new ATOM 0 HB2 LYS B 60 -6.785 14.224 9.901 1.00 0.00 H new ATOM 0 HB3 LYS B 60 -5.219 14.990 10.074 1.00 0.00 H new ATOM 0 HG2 LYS B 60 -5.473 14.428 12.612 1.00 0.00 H new ATOM 0 HG3 LYS B 60 -6.729 13.324 12.085 1.00 0.00 H new ATOM 0 HD2 LYS B 60 -5.203 12.029 10.769 1.00 0.00 H new ATOM 0 HD3 LYS B 60 -3.977 13.281 10.801 1.00 0.00 H new ATOM 0 HE2 LYS B 60 -4.309 11.088 12.608 1.00 0.00 H new ATOM 0 HE3 LYS B 60 -3.058 12.315 12.615 1.00 0.00 H new ATOM 0 HZ1 LYS B 60 -4.324 12.196 14.702 1.00 0.00 H new ATOM 0 HZ2 LYS B 60 -4.423 13.727 13.973 1.00 0.00 H new ATOM 0 HZ3 LYS B 60 -5.733 12.652 13.872 1.00 0.00 H new ATOM 1243 N ALA B 61 -5.267 17.685 10.177 1.00 0.00 N ATOM 1244 CA ALA B 61 -4.804 18.715 9.274 1.00 0.00 C ATOM 1245 C ALA B 61 -4.306 18.073 8.005 1.00 0.00 C ATOM 1246 O ALA B 61 -4.090 18.737 6.990 1.00 0.00 O ATOM 1247 CB ALA B 61 -3.699 19.517 9.918 1.00 0.00 C ATOM 0 H ALA B 61 -4.606 17.430 10.911 1.00 0.00 H new ATOM 0 HA ALA B 61 -5.628 19.389 9.042 1.00 0.00 H new ATOM 0 HB1 ALA B 61 -3.360 20.289 9.227 1.00 0.00 H new ATOM 0 HB2 ALA B 61 -4.072 19.984 10.829 1.00 0.00 H new ATOM 0 HB3 ALA B 61 -2.866 18.858 10.163 1.00 0.00 H new ATOM 1253 N LYS B 62 -4.130 16.769 8.074 1.00 0.00 N ATOM 1254 CA LYS B 62 -3.646 16.022 6.948 1.00 0.00 C ATOM 1255 C LYS B 62 -4.496 14.787 6.689 1.00 0.00 C ATOM 1256 O LYS B 62 -4.744 13.994 7.598 1.00 0.00 O ATOM 1257 CB LYS B 62 -2.209 15.573 7.193 1.00 0.00 C ATOM 1258 CG LYS B 62 -1.255 16.691 7.576 1.00 0.00 C ATOM 1259 CD LYS B 62 -0.790 16.552 9.016 1.00 0.00 C ATOM 1260 CE LYS B 62 -0.350 15.129 9.324 1.00 0.00 C ATOM 1261 NZ LYS B 62 0.717 14.662 8.403 1.00 0.00 N ATOM 0 H LYS B 62 -4.318 16.209 8.906 1.00 0.00 H new ATOM 0 HA LYS B 62 -3.698 16.678 6.079 1.00 0.00 H new ATOM 0 HB2 LYS B 62 -2.206 14.823 7.984 1.00 0.00 H new ATOM 0 HB3 LYS B 62 -1.835 15.087 6.292 1.00 0.00 H new ATOM 0 HG2 LYS B 62 -0.392 16.679 6.910 1.00 0.00 H new ATOM 0 HG3 LYS B 62 -1.748 17.654 7.442 1.00 0.00 H new ATOM 0 HD2 LYS B 62 0.037 17.238 9.200 1.00 0.00 H new ATOM 0 HD3 LYS B 62 -1.598 16.838 9.690 1.00 0.00 H new ATOM 0 HE2 LYS B 62 0.010 15.076 10.351 1.00 0.00 H new ATOM 0 HE3 LYS B 62 -1.208 14.461 9.252 1.00 0.00 H new ATOM 0 HZ1 LYS B 62 0.449 13.741 8.000 1.00 0.00 H new ATOM 0 HZ2 LYS B 62 0.840 15.353 7.636 1.00 0.00 H new ATOM 0 HZ3 LYS B 62 1.610 14.564 8.927 1.00 0.00 H new ATOM 1275 N ILE B 63 -4.952 14.638 5.458 1.00 0.00 N ATOM 1276 CA ILE B 63 -5.710 13.462 5.069 1.00 0.00 C ATOM 1277 C ILE B 63 -4.695 12.346 4.864 1.00 0.00 C ATOM 1278 O ILE B 63 -3.747 12.518 4.102 1.00 0.00 O ATOM 1279 CB ILE B 63 -6.520 13.721 3.779 1.00 0.00 C ATOM 1280 CG1 ILE B 63 -7.710 14.634 4.081 1.00 0.00 C ATOM 1281 CG2 ILE B 63 -6.995 12.419 3.157 1.00 0.00 C ATOM 1282 CD1 ILE B 63 -7.537 16.052 3.579 1.00 0.00 C ATOM 0 H ILE B 63 -4.811 15.317 4.710 1.00 0.00 H new ATOM 0 HA ILE B 63 -6.437 13.195 5.836 1.00 0.00 H new ATOM 0 HB ILE B 63 -5.866 14.215 3.060 1.00 0.00 H new ATOM 0 HG12 ILE B 63 -8.607 14.207 3.632 1.00 0.00 H new ATOM 0 HG13 ILE B 63 -7.873 14.658 5.158 1.00 0.00 H new ATOM 0 HG21 ILE B 63 -7.562 12.634 2.251 1.00 0.00 H new ATOM 0 HG22 ILE B 63 -6.134 11.799 2.908 1.00 0.00 H new ATOM 0 HG23 ILE B 63 -7.631 11.888 3.865 1.00 0.00 H new ATOM 0 HD11 ILE B 63 -8.421 16.638 3.831 1.00 0.00 H new ATOM 0 HD12 ILE B 63 -6.660 16.499 4.047 1.00 0.00 H new ATOM 0 HD13 ILE B 63 -7.405 16.041 2.497 1.00 0.00 H new ATOM 1294 N GLN B 64 -4.851 11.214 5.534 1.00 0.00 N ATOM 1295 CA GLN B 64 -3.826 10.174 5.418 1.00 0.00 C ATOM 1296 C GLN B 64 -4.365 8.779 5.178 1.00 0.00 C ATOM 1297 O GLN B 64 -5.550 8.503 5.325 1.00 0.00 O ATOM 1298 CB GLN B 64 -2.954 10.118 6.671 1.00 0.00 C ATOM 1299 CG GLN B 64 -2.368 11.445 7.112 1.00 0.00 C ATOM 1300 CD GLN B 64 -1.442 11.275 8.297 1.00 0.00 C ATOM 1301 OE1 GLN B 64 -0.507 12.055 8.479 1.00 0.00 O ATOM 1302 NE2 GLN B 64 -1.697 10.251 9.109 1.00 0.00 N ATOM 0 H GLN B 64 -5.640 10.991 6.141 1.00 0.00 H new ATOM 0 HA GLN B 64 -3.251 10.468 4.540 1.00 0.00 H new ATOM 0 HB2 GLN B 64 -3.548 9.712 7.490 1.00 0.00 H new ATOM 0 HB3 GLN B 64 -2.136 9.419 6.494 1.00 0.00 H new ATOM 0 HG2 GLN B 64 -1.822 11.896 6.284 1.00 0.00 H new ATOM 0 HG3 GLN B 64 -3.174 12.131 7.374 1.00 0.00 H new ATOM 0 HE21 GLN B 64 -2.484 9.631 8.917 1.00 0.00 H new ATOM 0 HE22 GLN B 64 -1.105 10.086 9.923 1.00 0.00 H new ATOM 1311 N LEU B 65 -3.456 7.928 4.740 1.00 0.00 N ATOM 1312 CA LEU B 65 -3.718 6.528 4.503 1.00 0.00 C ATOM 1313 C LEU B 65 -2.496 5.746 4.974 1.00 0.00 C ATOM 1314 O LEU B 65 -1.416 6.307 5.022 1.00 0.00 O ATOM 1315 CB LEU B 65 -3.920 6.265 3.020 1.00 0.00 C ATOM 1316 CG LEU B 65 -4.786 5.062 2.690 1.00 0.00 C ATOM 1317 CD1 LEU B 65 -6.235 5.481 2.554 1.00 0.00 C ATOM 1318 CD2 LEU B 65 -4.291 4.380 1.433 1.00 0.00 C ATOM 0 H LEU B 65 -2.495 8.201 4.536 1.00 0.00 H new ATOM 0 HA LEU B 65 -4.619 6.227 5.037 1.00 0.00 H new ATOM 0 HB2 LEU B 65 -4.368 7.150 2.568 1.00 0.00 H new ATOM 0 HB3 LEU B 65 -2.944 6.129 2.555 1.00 0.00 H new ATOM 0 HG LEU B 65 -4.717 4.344 3.507 1.00 0.00 H new ATOM 0 HD11 LEU B 65 -6.845 4.609 2.317 1.00 0.00 H new ATOM 0 HD12 LEU B 65 -6.577 5.919 3.492 1.00 0.00 H new ATOM 0 HD13 LEU B 65 -6.328 6.216 1.755 1.00 0.00 H new ATOM 0 HD21 LEU B 65 -4.924 3.520 1.212 1.00 0.00 H new ATOM 0 HD22 LEU B 65 -4.328 5.082 0.600 1.00 0.00 H new ATOM 0 HD23 LEU B 65 -3.264 4.046 1.581 1.00 0.00 H new ATOM 1330 N GLN B 66 -2.643 4.493 5.368 1.00 0.00 N ATOM 1331 CA GLN B 66 -1.478 3.722 5.791 1.00 0.00 C ATOM 1332 C GLN B 66 -1.630 2.254 5.426 1.00 0.00 C ATOM 1333 O GLN B 66 -2.730 1.709 5.435 1.00 0.00 O ATOM 1334 CB GLN B 66 -1.207 3.873 7.296 1.00 0.00 C ATOM 1335 CG GLN B 66 -1.900 2.841 8.170 1.00 0.00 C ATOM 1336 CD GLN B 66 -1.454 2.884 9.623 1.00 0.00 C ATOM 1337 OE1 GLN B 66 -1.447 1.863 10.310 1.00 0.00 O ATOM 1338 NE2 GLN B 66 -1.104 4.060 10.111 1.00 0.00 N ATOM 0 H GLN B 66 -3.532 3.994 5.405 1.00 0.00 H new ATOM 0 HA GLN B 66 -0.619 4.126 5.256 1.00 0.00 H new ATOM 0 HB2 GLN B 66 -0.132 3.811 7.466 1.00 0.00 H new ATOM 0 HB3 GLN B 66 -1.523 4.868 7.611 1.00 0.00 H new ATOM 0 HG2 GLN B 66 -2.977 3.001 8.123 1.00 0.00 H new ATOM 0 HG3 GLN B 66 -1.707 1.846 7.768 1.00 0.00 H new ATOM 0 HE21 GLN B 66 -1.121 4.886 9.513 1.00 0.00 H new ATOM 0 HE22 GLN B 66 -0.816 4.142 11.086 1.00 0.00 H new ATOM 1347 N LEU B 67 -0.515 1.635 5.090 1.00 0.00 N ATOM 1348 CA LEU B 67 -0.482 0.231 4.733 1.00 0.00 C ATOM 1349 C LEU B 67 -0.096 -0.603 5.940 1.00 0.00 C ATOM 1350 O LEU B 67 1.058 -0.603 6.349 1.00 0.00 O ATOM 1351 CB LEU B 67 0.538 -0.012 3.627 1.00 0.00 C ATOM 1352 CG LEU B 67 0.173 0.524 2.248 1.00 0.00 C ATOM 1353 CD1 LEU B 67 1.308 0.253 1.277 1.00 0.00 C ATOM 1354 CD2 LEU B 67 -1.121 -0.107 1.752 1.00 0.00 C ATOM 0 H LEU B 67 0.396 2.093 5.057 1.00 0.00 H new ATOM 0 HA LEU B 67 -1.474 -0.055 4.385 1.00 0.00 H new ATOM 0 HB2 LEU B 67 1.485 0.435 3.929 1.00 0.00 H new ATOM 0 HB3 LEU B 67 0.705 -1.086 3.544 1.00 0.00 H new ATOM 0 HG LEU B 67 0.016 1.600 2.317 1.00 0.00 H new ATOM 0 HD11 LEU B 67 1.044 0.638 0.292 1.00 0.00 H new ATOM 0 HD12 LEU B 67 2.214 0.747 1.629 1.00 0.00 H new ATOM 0 HD13 LEU B 67 1.483 -0.821 1.212 1.00 0.00 H new ATOM 0 HD21 LEU B 67 -1.364 0.289 0.766 1.00 0.00 H new ATOM 0 HD22 LEU B 67 -0.998 -1.188 1.689 1.00 0.00 H new ATOM 0 HD23 LEU B 67 -1.929 0.126 2.446 1.00 0.00 H new ATOM 1366 N VAL B 68 -1.050 -1.299 6.514 1.00 0.00 N ATOM 1367 CA VAL B 68 -0.773 -2.133 7.666 1.00 0.00 C ATOM 1368 C VAL B 68 -0.474 -3.541 7.193 1.00 0.00 C ATOM 1369 O VAL B 68 -1.289 -4.155 6.517 1.00 0.00 O ATOM 1370 CB VAL B 68 -1.952 -2.145 8.648 1.00 0.00 C ATOM 1371 CG1 VAL B 68 -1.539 -2.761 9.969 1.00 0.00 C ATOM 1372 CG2 VAL B 68 -2.469 -0.735 8.854 1.00 0.00 C ATOM 0 H VAL B 68 -2.022 -1.306 6.205 1.00 0.00 H new ATOM 0 HA VAL B 68 0.088 -1.724 8.194 1.00 0.00 H new ATOM 0 HB VAL B 68 -2.753 -2.753 8.227 1.00 0.00 H new ATOM 0 HG11 VAL B 68 -2.388 -2.761 10.652 1.00 0.00 H new ATOM 0 HG12 VAL B 68 -1.206 -3.786 9.804 1.00 0.00 H new ATOM 0 HG13 VAL B 68 -0.725 -2.180 10.402 1.00 0.00 H new ATOM 0 HG21 VAL B 68 -3.306 -0.753 9.552 1.00 0.00 H new ATOM 0 HG22 VAL B 68 -1.672 -0.111 9.258 1.00 0.00 H new ATOM 0 HG23 VAL B 68 -2.801 -0.326 7.900 1.00 0.00 H new ATOM 1382 N LEU B 69 0.697 -4.043 7.529 1.00 0.00 N ATOM 1383 CA LEU B 69 1.103 -5.367 7.086 1.00 0.00 C ATOM 1384 C LEU B 69 1.104 -6.373 8.223 1.00 0.00 C ATOM 1385 O LEU B 69 1.276 -6.010 9.386 1.00 0.00 O ATOM 1386 CB LEU B 69 2.499 -5.297 6.478 1.00 0.00 C ATOM 1387 CG LEU B 69 2.809 -3.993 5.753 1.00 0.00 C ATOM 1388 CD1 LEU B 69 4.245 -3.969 5.292 1.00 0.00 C ATOM 1389 CD2 LEU B 69 1.883 -3.807 4.575 1.00 0.00 C ATOM 0 H LEU B 69 1.385 -3.558 8.106 1.00 0.00 H new ATOM 0 HA LEU B 69 0.379 -5.701 6.342 1.00 0.00 H new ATOM 0 HB2 LEU B 69 3.234 -5.441 7.270 1.00 0.00 H new ATOM 0 HB3 LEU B 69 2.618 -6.124 5.778 1.00 0.00 H new ATOM 0 HG LEU B 69 2.654 -3.171 6.452 1.00 0.00 H new ATOM 0 HD11 LEU B 69 4.446 -3.030 4.777 1.00 0.00 H new ATOM 0 HD12 LEU B 69 4.906 -4.058 6.154 1.00 0.00 H new ATOM 0 HD13 LEU B 69 4.423 -4.802 4.611 1.00 0.00 H new ATOM 0 HD21 LEU B 69 2.120 -2.870 4.070 1.00 0.00 H new ATOM 0 HD22 LEU B 69 2.009 -4.636 3.879 1.00 0.00 H new ATOM 0 HD23 LEU B 69 0.851 -3.780 4.924 1.00 0.00 H new ATOM 1401 N HIS B 70 0.935 -7.645 7.872 1.00 0.00 N ATOM 1402 CA HIS B 70 0.952 -8.723 8.860 1.00 0.00 C ATOM 1403 C HIS B 70 2.390 -8.979 9.287 1.00 0.00 C ATOM 1404 O HIS B 70 2.666 -9.768 10.185 1.00 0.00 O ATOM 1405 CB HIS B 70 0.334 -10.020 8.310 1.00 0.00 C ATOM 1406 CG HIS B 70 0.244 -10.074 6.817 1.00 0.00 C ATOM 1407 ND1 HIS B 70 -0.872 -9.696 6.112 1.00 0.00 N ATOM 1408 CD2 HIS B 70 1.167 -10.433 5.884 1.00 0.00 C ATOM 1409 CE1 HIS B 70 -0.591 -9.822 4.812 1.00 0.00 C ATOM 1410 NE2 HIS B 70 0.624 -10.277 4.632 1.00 0.00 N ATOM 0 H HIS B 70 0.785 -7.956 6.912 1.00 0.00 H new ATOM 0 HA HIS B 70 0.349 -8.412 9.713 1.00 0.00 H new ATOM 0 HB2 HIS B 70 0.926 -10.867 8.658 1.00 0.00 H new ATOM 0 HB3 HIS B 70 -0.666 -10.138 8.727 1.00 0.00 H new ATOM 0 HD1 HIS B 70 -1.756 -9.377 6.509 1.00 0.00 H new ATOM 0 HD2 HIS B 70 2.166 -10.784 6.094 1.00 0.00 H new ATOM 0 HE1 HIS B 70 -1.277 -9.580 4.013 1.00 0.00 H new ATOM 1418 N ALA B 71 3.297 -8.286 8.611 1.00 0.00 N ATOM 1419 CA ALA B 71 4.722 -8.381 8.876 1.00 0.00 C ATOM 1420 C ALA B 71 5.089 -7.585 10.125 1.00 0.00 C ATOM 1421 O ALA B 71 6.235 -7.601 10.568 1.00 0.00 O ATOM 1422 CB ALA B 71 5.492 -7.860 7.669 1.00 0.00 C ATOM 0 H ALA B 71 3.061 -7.639 7.859 1.00 0.00 H new ATOM 0 HA ALA B 71 4.986 -9.424 9.051 1.00 0.00 H new ATOM 0 HB1 ALA B 71 6.562 -7.929 7.863 1.00 0.00 H new ATOM 0 HB2 ALA B 71 5.243 -8.458 6.792 1.00 0.00 H new ATOM 0 HB3 ALA B 71 5.223 -6.820 7.487 1.00 0.00 H new ATOM 1428 N GLY B 72 4.101 -6.896 10.686 1.00 0.00 N ATOM 1429 CA GLY B 72 4.333 -6.090 11.868 1.00 0.00 C ATOM 1430 C GLY B 72 4.833 -4.712 11.505 1.00 0.00 C ATOM 1431 O GLY B 72 5.429 -4.017 12.325 1.00 0.00 O ATOM 0 H GLY B 72 3.141 -6.882 10.341 1.00 0.00 H new ATOM 0 HA2 GLY B 72 3.409 -6.005 12.439 1.00 0.00 H new ATOM 0 HA3 GLY B 72 5.061 -6.585 12.511 1.00 0.00 H new ATOM 1435 N ASP B 73 4.570 -4.317 10.268 1.00 0.00 N ATOM 1436 CA ASP B 73 5.002 -3.021 9.761 1.00 0.00 C ATOM 1437 C ASP B 73 3.819 -2.248 9.194 1.00 0.00 C ATOM 1438 O ASP B 73 2.798 -2.838 8.832 1.00 0.00 O ATOM 1439 CB ASP B 73 6.079 -3.210 8.684 1.00 0.00 C ATOM 1440 CG ASP B 73 6.492 -1.903 8.031 1.00 0.00 C ATOM 1441 OD1 ASP B 73 6.444 -1.820 6.786 1.00 0.00 O ATOM 1442 OD2 ASP B 73 6.842 -0.957 8.765 1.00 0.00 O ATOM 0 H ASP B 73 4.055 -4.880 9.591 1.00 0.00 H new ATOM 0 HA ASP B 73 5.424 -2.447 10.586 1.00 0.00 H new ATOM 0 HB2 ASP B 73 6.955 -3.681 9.131 1.00 0.00 H new ATOM 0 HB3 ASP B 73 5.706 -3.891 7.919 1.00 0.00 H new ATOM 1447 N THR B 74 3.955 -0.932 9.134 1.00 0.00 N ATOM 1448 CA THR B 74 2.912 -0.072 8.609 1.00 0.00 C ATOM 1449 C THR B 74 3.536 1.040 7.763 1.00 0.00 C ATOM 1450 O THR B 74 4.472 1.707 8.197 1.00 0.00 O ATOM 1451 CB THR B 74 2.085 0.567 9.744 1.00 0.00 C ATOM 1452 OG1 THR B 74 2.956 1.124 10.735 1.00 0.00 O ATOM 1453 CG2 THR B 74 1.164 -0.451 10.398 1.00 0.00 C ATOM 0 H THR B 74 4.789 -0.434 9.447 1.00 0.00 H new ATOM 0 HA THR B 74 2.250 -0.686 7.999 1.00 0.00 H new ATOM 0 HB THR B 74 1.474 1.356 9.305 1.00 0.00 H new ATOM 0 HG1 THR B 74 3.662 1.643 10.296 1.00 0.00 H new ATOM 0 HG21 THR B 74 0.595 0.031 11.193 1.00 0.00 H new ATOM 0 HG22 THR B 74 0.477 -0.852 9.653 1.00 0.00 H new ATOM 0 HG23 THR B 74 1.758 -1.263 10.817 1.00 0.00 H new ATOM 1461 N THR B 75 3.010 1.240 6.568 1.00 0.00 N ATOM 1462 CA THR B 75 3.511 2.267 5.670 1.00 0.00 C ATOM 1463 C THR B 75 2.514 3.420 5.568 1.00 0.00 C ATOM 1464 O THR B 75 1.502 3.308 4.879 1.00 0.00 O ATOM 1465 CB THR B 75 3.759 1.674 4.270 1.00 0.00 C ATOM 1466 OG1 THR B 75 4.330 0.364 4.390 1.00 0.00 O ATOM 1467 CG2 THR B 75 4.688 2.565 3.458 1.00 0.00 C ATOM 0 H THR B 75 2.230 0.700 6.194 1.00 0.00 H new ATOM 0 HA THR B 75 4.451 2.646 6.072 1.00 0.00 H new ATOM 0 HB THR B 75 2.802 1.610 3.752 1.00 0.00 H new ATOM 0 HG1 THR B 75 4.712 0.094 3.529 1.00 0.00 H new ATOM 0 HG21 THR B 75 4.847 2.124 2.474 1.00 0.00 H new ATOM 0 HG22 THR B 75 4.239 3.552 3.345 1.00 0.00 H new ATOM 0 HG23 THR B 75 5.644 2.658 3.973 1.00 0.00 H new ATOM 1475 N ASN B 76 2.791 4.526 6.250 1.00 0.00 N ATOM 1476 CA ASN B 76 1.876 5.667 6.233 1.00 0.00 C ATOM 1477 C ASN B 76 2.079 6.531 4.996 1.00 0.00 C ATOM 1478 O ASN B 76 3.205 6.773 4.562 1.00 0.00 O ATOM 1479 CB ASN B 76 2.015 6.516 7.503 1.00 0.00 C ATOM 1480 CG ASN B 76 1.448 5.824 8.731 1.00 0.00 C ATOM 1481 OD1 ASN B 76 1.440 4.597 8.821 1.00 0.00 O ATOM 1482 ND2 ASN B 76 0.959 6.602 9.687 1.00 0.00 N ATOM 0 H ASN B 76 3.630 4.659 6.815 1.00 0.00 H new ATOM 0 HA ASN B 76 0.865 5.261 6.201 1.00 0.00 H new ATOM 0 HB2 ASN B 76 3.068 6.742 7.671 1.00 0.00 H new ATOM 0 HB3 ASN B 76 1.504 7.468 7.358 1.00 0.00 H new ATOM 0 HD21 ASN B 76 0.561 6.186 10.529 1.00 0.00 H new ATOM 0 HD22 ASN B 76 0.981 7.616 9.580 1.00 0.00 H new ATOM 1489 N PHE B 77 0.963 6.974 4.437 1.00 0.00 N ATOM 1490 CA PHE B 77 0.938 7.811 3.252 1.00 0.00 C ATOM 1491 C PHE B 77 0.057 9.032 3.494 1.00 0.00 C ATOM 1492 O PHE B 77 -1.163 8.919 3.620 1.00 0.00 O ATOM 1493 CB PHE B 77 0.387 7.033 2.056 1.00 0.00 C ATOM 1494 CG PHE B 77 1.342 6.036 1.471 1.00 0.00 C ATOM 1495 CD1 PHE B 77 2.446 6.457 0.750 1.00 0.00 C ATOM 1496 CD2 PHE B 77 1.125 4.677 1.625 1.00 0.00 C ATOM 1497 CE1 PHE B 77 3.316 5.544 0.194 1.00 0.00 C ATOM 1498 CE2 PHE B 77 1.995 3.759 1.073 1.00 0.00 C ATOM 1499 CZ PHE B 77 3.091 4.194 0.355 1.00 0.00 C ATOM 0 H PHE B 77 0.035 6.757 4.802 1.00 0.00 H new ATOM 0 HA PHE B 77 1.959 8.127 3.038 1.00 0.00 H new ATOM 0 HB2 PHE B 77 -0.520 6.512 2.364 1.00 0.00 H new ATOM 0 HB3 PHE B 77 0.099 7.741 1.279 1.00 0.00 H new ATOM 0 HD1 PHE B 77 2.628 7.514 0.622 1.00 0.00 H new ATOM 0 HD2 PHE B 77 0.267 4.332 2.182 1.00 0.00 H new ATOM 0 HE1 PHE B 77 4.173 5.886 -0.367 1.00 0.00 H new ATOM 0 HE2 PHE B 77 1.819 2.701 1.203 1.00 0.00 H new ATOM 0 HZ PHE B 77 3.771 3.477 -0.080 1.00 0.00 H new ATOM 1509 N HIS B 78 0.678 10.188 3.570 1.00 0.00 N ATOM 1510 CA HIS B 78 -0.035 11.433 3.788 1.00 0.00 C ATOM 1511 C HIS B 78 -0.485 12.018 2.452 1.00 0.00 C ATOM 1512 O HIS B 78 0.329 12.289 1.581 1.00 0.00 O ATOM 1513 CB HIS B 78 0.875 12.417 4.541 1.00 0.00 C ATOM 1514 CG HIS B 78 0.423 13.851 4.517 1.00 0.00 C ATOM 1515 ND1 HIS B 78 1.285 14.924 4.550 1.00 0.00 N ATOM 1516 CD2 HIS B 78 -0.824 14.381 4.446 1.00 0.00 C ATOM 1517 CE1 HIS B 78 0.555 16.043 4.497 1.00 0.00 C ATOM 1518 NE2 HIS B 78 -0.730 15.769 4.433 1.00 0.00 N ATOM 0 H HIS B 78 1.689 10.295 3.483 1.00 0.00 H new ATOM 0 HA HIS B 78 -0.923 11.247 4.392 1.00 0.00 H new ATOM 0 HB2 HIS B 78 0.952 12.094 5.579 1.00 0.00 H new ATOM 0 HB3 HIS B 78 1.876 12.361 4.114 1.00 0.00 H new ATOM 0 HD2 HIS B 78 -1.743 13.815 4.406 1.00 0.00 H new ATOM 0 HE1 HIS B 78 0.967 17.041 4.506 1.00 0.00 H new ATOM 0 HE2 HIS B 78 -1.499 16.437 4.384 1.00 0.00 H new ATOM 1526 N PHE B 79 -1.780 12.208 2.298 1.00 0.00 N ATOM 1527 CA PHE B 79 -2.327 12.779 1.081 1.00 0.00 C ATOM 1528 C PHE B 79 -2.278 14.304 1.166 1.00 0.00 C ATOM 1529 O PHE B 79 -3.186 14.932 1.713 1.00 0.00 O ATOM 1530 CB PHE B 79 -3.766 12.309 0.882 1.00 0.00 C ATOM 1531 CG PHE B 79 -3.882 10.933 0.293 1.00 0.00 C ATOM 1532 CD1 PHE B 79 -4.014 10.773 -1.071 1.00 0.00 C ATOM 1533 CD2 PHE B 79 -3.869 9.804 1.098 1.00 0.00 C ATOM 1534 CE1 PHE B 79 -4.134 9.518 -1.626 1.00 0.00 C ATOM 1535 CE2 PHE B 79 -3.986 8.541 0.542 1.00 0.00 C ATOM 1536 CZ PHE B 79 -4.120 8.401 -0.825 1.00 0.00 C ATOM 0 H PHE B 79 -2.478 11.974 3.004 1.00 0.00 H new ATOM 0 HA PHE B 79 -1.732 12.448 0.230 1.00 0.00 H new ATOM 0 HB2 PHE B 79 -4.279 12.326 1.843 1.00 0.00 H new ATOM 0 HB3 PHE B 79 -4.282 13.016 0.232 1.00 0.00 H new ATOM 0 HD1 PHE B 79 -4.023 11.643 -1.712 1.00 0.00 H new ATOM 0 HD2 PHE B 79 -3.767 9.911 2.168 1.00 0.00 H new ATOM 0 HE1 PHE B 79 -4.240 9.411 -2.696 1.00 0.00 H new ATOM 0 HE2 PHE B 79 -3.972 7.667 1.177 1.00 0.00 H new ATOM 0 HZ PHE B 79 -4.213 7.418 -1.263 1.00 0.00 H new ATOM 1546 N SER B 80 -1.211 14.893 0.643 1.00 0.00 N ATOM 1547 CA SER B 80 -1.030 16.337 0.682 1.00 0.00 C ATOM 1548 C SER B 80 -1.508 17.026 -0.601 1.00 0.00 C ATOM 1549 O SER B 80 -1.205 18.197 -0.829 1.00 0.00 O ATOM 1550 CB SER B 80 0.444 16.655 0.948 1.00 0.00 C ATOM 1551 OG SER B 80 1.290 15.633 0.435 1.00 0.00 O ATOM 0 H SER B 80 -0.453 14.388 0.184 1.00 0.00 H new ATOM 0 HA SER B 80 -1.647 16.729 1.491 1.00 0.00 H new ATOM 0 HB2 SER B 80 0.702 17.609 0.489 1.00 0.00 H new ATOM 0 HB3 SER B 80 0.608 16.763 2.020 1.00 0.00 H new ATOM 0 HG SER B 80 2.116 16.034 0.092 1.00 0.00 H new ATOM 1557 N ASN B 81 -2.258 16.310 -1.436 1.00 0.00 N ATOM 1558 CA ASN B 81 -2.764 16.895 -2.675 1.00 0.00 C ATOM 1559 C ASN B 81 -4.079 17.626 -2.423 1.00 0.00 C ATOM 1560 O ASN B 81 -5.154 17.036 -2.461 1.00 0.00 O ATOM 1561 CB ASN B 81 -2.939 15.833 -3.764 1.00 0.00 C ATOM 1562 CG ASN B 81 -3.009 16.440 -5.158 1.00 0.00 C ATOM 1563 OD1 ASN B 81 -3.469 15.804 -6.106 1.00 0.00 O ATOM 1564 ND2 ASN B 81 -2.550 17.677 -5.300 1.00 0.00 N ATOM 0 H ASN B 81 -2.526 15.338 -1.281 1.00 0.00 H new ATOM 0 HA ASN B 81 -2.026 17.615 -3.029 1.00 0.00 H new ATOM 0 HB2 ASN B 81 -2.108 15.129 -3.718 1.00 0.00 H new ATOM 0 HB3 ASN B 81 -3.849 15.265 -3.571 1.00 0.00 H new ATOM 0 HD21 ASN B 81 -2.572 18.127 -6.215 1.00 0.00 H new ATOM 0 HD22 ASN B 81 -2.175 18.177 -4.494 1.00 0.00 H new ATOM 1571 N GLU B 82 -3.963 18.923 -2.188 1.00 0.00 N ATOM 1572 CA GLU B 82 -5.094 19.807 -1.892 1.00 0.00 C ATOM 1573 C GLU B 82 -6.303 19.613 -2.824 1.00 0.00 C ATOM 1574 O GLU B 82 -7.449 19.799 -2.408 1.00 0.00 O ATOM 1575 CB GLU B 82 -4.621 21.271 -1.947 1.00 0.00 C ATOM 1576 CG GLU B 82 -4.280 21.790 -3.348 1.00 0.00 C ATOM 1577 CD GLU B 82 -3.316 20.895 -4.113 1.00 0.00 C ATOM 1578 OE1 GLU B 82 -3.690 20.417 -5.206 1.00 0.00 O ATOM 1579 OE2 GLU B 82 -2.203 20.639 -3.608 1.00 0.00 O ATOM 0 H GLU B 82 -3.065 19.407 -2.196 1.00 0.00 H new ATOM 0 HA GLU B 82 -5.441 19.544 -0.893 1.00 0.00 H new ATOM 0 HB2 GLU B 82 -5.399 21.904 -1.521 1.00 0.00 H new ATOM 0 HB3 GLU B 82 -3.741 21.377 -1.313 1.00 0.00 H new ATOM 0 HG2 GLU B 82 -5.201 21.892 -3.922 1.00 0.00 H new ATOM 0 HG3 GLU B 82 -3.846 22.786 -3.261 1.00 0.00 H new ATOM 1586 N SER B 83 -6.053 19.230 -4.066 1.00 0.00 N ATOM 1587 CA SER B 83 -7.116 19.054 -5.042 1.00 0.00 C ATOM 1588 C SER B 83 -7.984 17.821 -4.792 1.00 0.00 C ATOM 1589 O SER B 83 -9.203 17.940 -4.608 1.00 0.00 O ATOM 1590 CB SER B 83 -6.513 18.995 -6.446 1.00 0.00 C ATOM 1591 OG SER B 83 -5.152 18.606 -6.398 1.00 0.00 O ATOM 0 H SER B 83 -5.118 19.034 -4.423 1.00 0.00 H new ATOM 0 HA SER B 83 -7.778 19.914 -4.943 1.00 0.00 H new ATOM 0 HB2 SER B 83 -7.075 18.289 -7.058 1.00 0.00 H new ATOM 0 HB3 SER B 83 -6.599 19.971 -6.924 1.00 0.00 H new ATOM 0 HG SER B 83 -4.588 19.401 -6.301 1.00 0.00 H new ATOM 1597 N THR B 84 -7.392 16.641 -4.787 1.00 0.00 N ATOM 1598 CA THR B 84 -8.186 15.436 -4.636 1.00 0.00 C ATOM 1599 C THR B 84 -7.733 14.489 -3.521 1.00 0.00 C ATOM 1600 O THR B 84 -8.218 13.371 -3.465 1.00 0.00 O ATOM 1601 CB THR B 84 -8.216 14.698 -5.987 1.00 0.00 C ATOM 1602 OG1 THR B 84 -6.884 14.556 -6.502 1.00 0.00 O ATOM 1603 CG2 THR B 84 -9.052 15.490 -6.984 1.00 0.00 C ATOM 0 H THR B 84 -6.388 16.492 -4.883 1.00 0.00 H new ATOM 0 HA THR B 84 -9.181 15.759 -4.330 1.00 0.00 H new ATOM 0 HB THR B 84 -8.653 13.711 -5.838 1.00 0.00 H new ATOM 0 HG1 THR B 84 -6.259 14.423 -5.759 1.00 0.00 H new ATOM 0 HG21 THR B 84 -9.072 14.966 -7.940 1.00 0.00 H new ATOM 0 HG22 THR B 84 -10.069 15.593 -6.605 1.00 0.00 H new ATOM 0 HG23 THR B 84 -8.614 16.479 -7.122 1.00 0.00 H new ATOM 1611 N ALA B 85 -6.870 14.949 -2.616 1.00 0.00 N ATOM 1612 CA ALA B 85 -6.344 14.105 -1.523 1.00 0.00 C ATOM 1613 C ALA B 85 -7.415 13.276 -0.817 1.00 0.00 C ATOM 1614 O ALA B 85 -7.240 12.079 -0.625 1.00 0.00 O ATOM 1615 CB ALA B 85 -5.613 14.953 -0.497 1.00 0.00 C ATOM 0 H ALA B 85 -6.514 15.905 -2.611 1.00 0.00 H new ATOM 0 HA ALA B 85 -5.657 13.405 -1.998 1.00 0.00 H new ATOM 0 HB1 ALA B 85 -5.233 14.313 0.300 1.00 0.00 H new ATOM 0 HB2 ALA B 85 -4.781 15.468 -0.977 1.00 0.00 H new ATOM 0 HB3 ALA B 85 -6.300 15.687 -0.076 1.00 0.00 H new ATOM 1621 N VAL B 86 -8.511 13.909 -0.413 1.00 0.00 N ATOM 1622 CA VAL B 86 -9.590 13.200 0.275 1.00 0.00 C ATOM 1623 C VAL B 86 -10.149 12.071 -0.602 1.00 0.00 C ATOM 1624 O VAL B 86 -10.216 10.919 -0.179 1.00 0.00 O ATOM 1625 CB VAL B 86 -10.717 14.181 0.694 1.00 0.00 C ATOM 1626 CG1 VAL B 86 -12.083 13.505 0.717 1.00 0.00 C ATOM 1627 CG2 VAL B 86 -10.416 14.781 2.052 1.00 0.00 C ATOM 0 H VAL B 86 -8.678 14.906 -0.548 1.00 0.00 H new ATOM 0 HA VAL B 86 -9.176 12.753 1.179 1.00 0.00 H new ATOM 0 HB VAL B 86 -10.751 14.973 -0.054 1.00 0.00 H new ATOM 0 HG11 VAL B 86 -12.842 14.228 1.015 1.00 0.00 H new ATOM 0 HG12 VAL B 86 -12.317 13.123 -0.277 1.00 0.00 H new ATOM 0 HG13 VAL B 86 -12.069 12.680 1.429 1.00 0.00 H new ATOM 0 HG21 VAL B 86 -11.216 15.467 2.332 1.00 0.00 H new ATOM 0 HG22 VAL B 86 -10.344 13.985 2.793 1.00 0.00 H new ATOM 0 HG23 VAL B 86 -9.471 15.323 2.009 1.00 0.00 H new ATOM 1637 N LYS B 87 -10.500 12.406 -1.838 1.00 0.00 N ATOM 1638 CA LYS B 87 -11.045 11.433 -2.788 1.00 0.00 C ATOM 1639 C LYS B 87 -9.981 10.404 -3.147 1.00 0.00 C ATOM 1640 O LYS B 87 -10.281 9.237 -3.375 1.00 0.00 O ATOM 1641 CB LYS B 87 -11.523 12.167 -4.046 1.00 0.00 C ATOM 1642 CG LYS B 87 -12.309 13.439 -3.749 1.00 0.00 C ATOM 1643 CD LYS B 87 -11.733 14.641 -4.488 1.00 0.00 C ATOM 1644 CE LYS B 87 -12.347 15.948 -4.002 1.00 0.00 C ATOM 1645 NZ LYS B 87 -11.816 17.131 -4.743 1.00 0.00 N ATOM 0 H LYS B 87 -10.417 13.351 -2.212 1.00 0.00 H new ATOM 0 HA LYS B 87 -11.889 10.913 -2.334 1.00 0.00 H new ATOM 0 HB2 LYS B 87 -10.658 12.419 -4.660 1.00 0.00 H new ATOM 0 HB3 LYS B 87 -12.146 11.494 -4.635 1.00 0.00 H new ATOM 0 HG2 LYS B 87 -13.351 13.299 -4.037 1.00 0.00 H new ATOM 0 HG3 LYS B 87 -12.298 13.632 -2.676 1.00 0.00 H new ATOM 0 HD2 LYS B 87 -10.653 14.672 -4.347 1.00 0.00 H new ATOM 0 HD3 LYS B 87 -11.912 14.531 -5.558 1.00 0.00 H new ATOM 0 HE2 LYS B 87 -13.430 15.904 -4.119 1.00 0.00 H new ATOM 0 HE3 LYS B 87 -12.146 16.068 -2.937 1.00 0.00 H new ATOM 0 HZ1 LYS B 87 -12.223 18.001 -4.345 1.00 0.00 H new ATOM 0 HZ2 LYS B 87 -10.780 17.161 -4.653 1.00 0.00 H new ATOM 0 HZ3 LYS B 87 -12.074 17.056 -5.748 1.00 0.00 H new ATOM 1659 N GLU B 88 -8.740 10.858 -3.203 1.00 0.00 N ATOM 1660 CA GLU B 88 -7.614 9.994 -3.496 1.00 0.00 C ATOM 1661 C GLU B 88 -7.445 8.995 -2.362 1.00 0.00 C ATOM 1662 O GLU B 88 -7.267 7.805 -2.601 1.00 0.00 O ATOM 1663 CB GLU B 88 -6.355 10.836 -3.714 1.00 0.00 C ATOM 1664 CG GLU B 88 -6.152 11.232 -5.169 1.00 0.00 C ATOM 1665 CD GLU B 88 -5.072 12.278 -5.358 1.00 0.00 C ATOM 1666 OE1 GLU B 88 -5.248 13.410 -4.873 1.00 0.00 O ATOM 1667 OE2 GLU B 88 -4.063 11.987 -6.036 1.00 0.00 O ATOM 0 H GLU B 88 -8.487 11.834 -3.047 1.00 0.00 H new ATOM 0 HA GLU B 88 -7.793 9.436 -4.415 1.00 0.00 H new ATOM 0 HB2 GLU B 88 -6.416 11.736 -3.103 1.00 0.00 H new ATOM 0 HB3 GLU B 88 -5.485 10.276 -3.370 1.00 0.00 H new ATOM 0 HG2 GLU B 88 -5.895 10.345 -5.748 1.00 0.00 H new ATOM 0 HG3 GLU B 88 -7.092 11.613 -5.570 1.00 0.00 H new ATOM 1674 N ARG B 89 -7.530 9.490 -1.126 1.00 0.00 N ATOM 1675 CA ARG B 89 -7.444 8.639 0.058 1.00 0.00 C ATOM 1676 C ARG B 89 -8.500 7.563 -0.053 1.00 0.00 C ATOM 1677 O ARG B 89 -8.249 6.384 0.176 1.00 0.00 O ATOM 1678 CB ARG B 89 -7.704 9.461 1.326 1.00 0.00 C ATOM 1679 CG ARG B 89 -7.623 8.664 2.615 1.00 0.00 C ATOM 1680 CD ARG B 89 -8.470 9.306 3.702 1.00 0.00 C ATOM 1681 NE ARG B 89 -9.804 9.665 3.214 1.00 0.00 N ATOM 1682 CZ ARG B 89 -10.538 10.667 3.701 1.00 0.00 C ATOM 1683 NH1 ARG B 89 -10.101 11.396 4.720 1.00 0.00 N ATOM 1684 NH2 ARG B 89 -11.723 10.932 3.173 1.00 0.00 N ATOM 0 H ARG B 89 -7.659 10.481 -0.920 1.00 0.00 H new ATOM 0 HA ARG B 89 -6.448 8.202 0.119 1.00 0.00 H new ATOM 0 HB2 ARG B 89 -6.982 10.276 1.371 1.00 0.00 H new ATOM 0 HB3 ARG B 89 -8.693 9.914 1.255 1.00 0.00 H new ATOM 0 HG2 ARG B 89 -7.963 7.643 2.439 1.00 0.00 H new ATOM 0 HG3 ARG B 89 -6.586 8.602 2.945 1.00 0.00 H new ATOM 0 HD2 ARG B 89 -8.564 8.619 4.543 1.00 0.00 H new ATOM 0 HD3 ARG B 89 -7.967 10.199 4.074 1.00 0.00 H new ATOM 0 HE ARG B 89 -10.197 9.113 2.452 1.00 0.00 H new ATOM 0 HH11 ARG B 89 -9.194 11.193 5.140 1.00 0.00 H new ATOM 0 HH12 ARG B 89 -10.672 12.159 5.083 1.00 0.00 H new ATOM 0 HH21 ARG B 89 -12.072 10.371 2.396 1.00 0.00 H new ATOM 0 HH22 ARG B 89 -12.287 11.697 3.543 1.00 0.00 H new ATOM 1698 N ASP B 90 -9.679 8.014 -0.431 1.00 0.00 N ATOM 1699 CA ASP B 90 -10.830 7.159 -0.608 1.00 0.00 C ATOM 1700 C ASP B 90 -10.632 6.135 -1.724 1.00 0.00 C ATOM 1701 O ASP B 90 -10.908 4.963 -1.524 1.00 0.00 O ATOM 1702 CB ASP B 90 -12.066 8.032 -0.842 1.00 0.00 C ATOM 1703 CG ASP B 90 -12.775 8.349 0.459 1.00 0.00 C ATOM 1704 OD1 ASP B 90 -13.746 7.635 0.792 1.00 0.00 O ATOM 1705 OD2 ASP B 90 -12.339 9.279 1.170 1.00 0.00 O ATOM 0 H ASP B 90 -9.865 8.998 -0.626 1.00 0.00 H new ATOM 0 HA ASP B 90 -10.972 6.573 0.300 1.00 0.00 H new ATOM 0 HB2 ASP B 90 -11.770 8.960 -1.332 1.00 0.00 H new ATOM 0 HB3 ASP B 90 -12.752 7.520 -1.516 1.00 0.00 H new ATOM 1710 N ALA B 91 -10.121 6.559 -2.873 1.00 0.00 N ATOM 1711 CA ALA B 91 -9.899 5.639 -3.994 1.00 0.00 C ATOM 1712 C ALA B 91 -8.794 4.632 -3.679 1.00 0.00 C ATOM 1713 O ALA B 91 -8.927 3.455 -4.003 1.00 0.00 O ATOM 1714 CB ALA B 91 -9.576 6.414 -5.263 1.00 0.00 C ATOM 0 H ALA B 91 -9.853 7.526 -3.058 1.00 0.00 H new ATOM 0 HA ALA B 91 -10.820 5.078 -4.154 1.00 0.00 H new ATOM 0 HB1 ALA B 91 -9.414 5.716 -6.084 1.00 0.00 H new ATOM 0 HB2 ALA B 91 -10.407 7.075 -5.507 1.00 0.00 H new ATOM 0 HB3 ALA B 91 -8.675 7.007 -5.108 1.00 0.00 H new ATOM 1720 N VAL B 92 -7.701 5.087 -3.064 1.00 0.00 N ATOM 1721 CA VAL B 92 -6.615 4.182 -2.686 1.00 0.00 C ATOM 1722 C VAL B 92 -7.174 3.188 -1.675 1.00 0.00 C ATOM 1723 O VAL B 92 -6.877 2.000 -1.714 1.00 0.00 O ATOM 1724 CB VAL B 92 -5.414 4.933 -2.071 1.00 0.00 C ATOM 1725 CG1 VAL B 92 -4.275 3.971 -1.776 1.00 0.00 C ATOM 1726 CG2 VAL B 92 -4.932 6.027 -3.003 1.00 0.00 C ATOM 0 H VAL B 92 -7.545 6.065 -2.819 1.00 0.00 H new ATOM 0 HA VAL B 92 -6.247 3.678 -3.580 1.00 0.00 H new ATOM 0 HB VAL B 92 -5.744 5.387 -1.137 1.00 0.00 H new ATOM 0 HG11 VAL B 92 -3.438 4.519 -1.343 1.00 0.00 H new ATOM 0 HG12 VAL B 92 -4.614 3.211 -1.072 1.00 0.00 H new ATOM 0 HG13 VAL B 92 -3.955 3.492 -2.701 1.00 0.00 H new ATOM 0 HG21 VAL B 92 -4.086 6.544 -2.551 1.00 0.00 H new ATOM 0 HG22 VAL B 92 -4.624 5.587 -3.952 1.00 0.00 H new ATOM 0 HG23 VAL B 92 -5.740 6.738 -3.178 1.00 0.00 H new ATOM 1736 N LYS B 93 -8.022 3.711 -0.788 1.00 0.00 N ATOM 1737 CA LYS B 93 -8.693 2.916 0.231 1.00 0.00 C ATOM 1738 C LYS B 93 -9.583 1.880 -0.436 1.00 0.00 C ATOM 1739 O LYS B 93 -9.439 0.680 -0.223 1.00 0.00 O ATOM 1740 CB LYS B 93 -9.547 3.837 1.119 1.00 0.00 C ATOM 1741 CG LYS B 93 -10.572 3.118 1.992 1.00 0.00 C ATOM 1742 CD LYS B 93 -11.993 3.295 1.460 1.00 0.00 C ATOM 1743 CE LYS B 93 -12.419 4.755 1.475 1.00 0.00 C ATOM 1744 NZ LYS B 93 -13.606 5.009 0.612 1.00 0.00 N ATOM 0 H LYS B 93 -8.261 4.702 -0.760 1.00 0.00 H new ATOM 0 HA LYS B 93 -7.949 2.409 0.845 1.00 0.00 H new ATOM 0 HB2 LYS B 93 -8.883 4.414 1.763 1.00 0.00 H new ATOM 0 HB3 LYS B 93 -10.070 4.549 0.481 1.00 0.00 H new ATOM 0 HG2 LYS B 93 -10.330 2.056 2.037 1.00 0.00 H new ATOM 0 HG3 LYS B 93 -10.515 3.501 3.011 1.00 0.00 H new ATOM 0 HD2 LYS B 93 -12.052 2.909 0.442 1.00 0.00 H new ATOM 0 HD3 LYS B 93 -12.684 2.708 2.064 1.00 0.00 H new ATOM 0 HE2 LYS B 93 -12.647 5.054 2.498 1.00 0.00 H new ATOM 0 HE3 LYS B 93 -11.589 5.376 1.139 1.00 0.00 H new ATOM 0 HZ1 LYS B 93 -13.745 6.034 0.506 1.00 0.00 H new ATOM 0 HZ2 LYS B 93 -13.453 4.582 -0.324 1.00 0.00 H new ATOM 0 HZ3 LYS B 93 -14.450 4.589 1.050 1.00 0.00 H new ATOM 1758 N ASP B 94 -10.487 2.381 -1.262 1.00 0.00 N ATOM 1759 CA ASP B 94 -11.437 1.567 -1.995 1.00 0.00 C ATOM 1760 C ASP B 94 -10.747 0.484 -2.800 1.00 0.00 C ATOM 1761 O ASP B 94 -11.055 -0.694 -2.654 1.00 0.00 O ATOM 1762 CB ASP B 94 -12.273 2.468 -2.905 1.00 0.00 C ATOM 1763 CG ASP B 94 -13.540 2.949 -2.226 1.00 0.00 C ATOM 1764 OD1 ASP B 94 -14.478 2.143 -2.076 1.00 0.00 O ATOM 1765 OD2 ASP B 94 -13.590 4.130 -1.819 1.00 0.00 O ATOM 0 H ASP B 94 -10.581 3.380 -1.443 1.00 0.00 H new ATOM 0 HA ASP B 94 -12.087 1.064 -1.279 1.00 0.00 H new ATOM 0 HB2 ASP B 94 -11.677 3.328 -3.209 1.00 0.00 H new ATOM 0 HB3 ASP B 94 -12.533 1.924 -3.813 1.00 0.00 H new ATOM 1770 N LEU B 95 -9.796 0.884 -3.625 1.00 0.00 N ATOM 1771 CA LEU B 95 -9.064 -0.053 -4.460 1.00 0.00 C ATOM 1772 C LEU B 95 -8.299 -1.064 -3.614 1.00 0.00 C ATOM 1773 O LEU B 95 -8.254 -2.231 -3.959 1.00 0.00 O ATOM 1774 CB LEU B 95 -8.110 0.698 -5.391 1.00 0.00 C ATOM 1775 CG LEU B 95 -7.712 -0.055 -6.660 1.00 0.00 C ATOM 1776 CD1 LEU B 95 -8.931 -0.323 -7.529 1.00 0.00 C ATOM 1777 CD2 LEU B 95 -6.665 0.727 -7.437 1.00 0.00 C ATOM 0 H LEU B 95 -9.511 1.857 -3.735 1.00 0.00 H new ATOM 0 HA LEU B 95 -9.786 -0.602 -5.065 1.00 0.00 H new ATOM 0 HB2 LEU B 95 -8.575 1.641 -5.678 1.00 0.00 H new ATOM 0 HB3 LEU B 95 -7.205 0.945 -4.836 1.00 0.00 H new ATOM 0 HG LEU B 95 -7.281 -1.013 -6.369 1.00 0.00 H new ATOM 0 HD11 LEU B 95 -8.626 -0.860 -8.427 1.00 0.00 H new ATOM 0 HD12 LEU B 95 -9.649 -0.925 -6.972 1.00 0.00 H new ATOM 0 HD13 LEU B 95 -9.392 0.624 -7.811 1.00 0.00 H new ATOM 0 HD21 LEU B 95 -6.393 0.176 -8.337 1.00 0.00 H new ATOM 0 HD22 LEU B 95 -7.070 1.700 -7.715 1.00 0.00 H new ATOM 0 HD23 LEU B 95 -5.780 0.866 -6.816 1.00 0.00 H new ATOM 1789 N LEU B 96 -7.709 -0.629 -2.506 1.00 0.00 N ATOM 1790 CA LEU B 96 -6.970 -1.547 -1.639 1.00 0.00 C ATOM 1791 C LEU B 96 -7.928 -2.505 -0.942 1.00 0.00 C ATOM 1792 O LEU B 96 -7.680 -3.698 -0.898 1.00 0.00 O ATOM 1793 CB LEU B 96 -6.156 -0.783 -0.593 1.00 0.00 C ATOM 1794 CG LEU B 96 -4.802 -0.261 -1.068 1.00 0.00 C ATOM 1795 CD1 LEU B 96 -4.264 0.775 -0.096 1.00 0.00 C ATOM 1796 CD2 LEU B 96 -3.816 -1.407 -1.218 1.00 0.00 C ATOM 0 H LEU B 96 -7.725 0.340 -2.188 1.00 0.00 H new ATOM 0 HA LEU B 96 -6.283 -2.116 -2.265 1.00 0.00 H new ATOM 0 HB2 LEU B 96 -6.749 0.062 -0.242 1.00 0.00 H new ATOM 0 HB3 LEU B 96 -5.994 -1.436 0.264 1.00 0.00 H new ATOM 0 HG LEU B 96 -4.935 0.212 -2.041 1.00 0.00 H new ATOM 0 HD11 LEU B 96 -3.298 1.138 -0.448 1.00 0.00 H new ATOM 0 HD12 LEU B 96 -4.963 1.609 -0.030 1.00 0.00 H new ATOM 0 HD13 LEU B 96 -4.144 0.323 0.889 1.00 0.00 H new ATOM 0 HD21 LEU B 96 -2.856 -1.019 -1.557 1.00 0.00 H new ATOM 0 HD22 LEU B 96 -3.687 -1.904 -0.257 1.00 0.00 H new ATOM 0 HD23 LEU B 96 -4.197 -2.121 -1.948 1.00 0.00 H new ATOM 1808 N GLN B 97 -9.032 -1.986 -0.411 1.00 0.00 N ATOM 1809 CA GLN B 97 -10.024 -2.831 0.259 1.00 0.00 C ATOM 1810 C GLN B 97 -10.637 -3.793 -0.751 1.00 0.00 C ATOM 1811 O GLN B 97 -11.241 -4.803 -0.400 1.00 0.00 O ATOM 1812 CB GLN B 97 -11.111 -1.979 0.914 1.00 0.00 C ATOM 1813 CG GLN B 97 -10.603 -1.149 2.080 1.00 0.00 C ATOM 1814 CD GLN B 97 -10.129 -2.002 3.240 1.00 0.00 C ATOM 1815 OE1 GLN B 97 -8.982 -2.446 3.276 1.00 0.00 O ATOM 1816 NE2 GLN B 97 -11.008 -2.231 4.200 1.00 0.00 N ATOM 0 H GLN B 97 -9.264 -0.993 -0.430 1.00 0.00 H new ATOM 0 HA GLN B 97 -9.528 -3.402 1.044 1.00 0.00 H new ATOM 0 HB2 GLN B 97 -11.543 -1.315 0.165 1.00 0.00 H new ATOM 0 HB3 GLN B 97 -11.913 -2.630 1.263 1.00 0.00 H new ATOM 0 HG2 GLN B 97 -9.783 -0.516 1.741 1.00 0.00 H new ATOM 0 HG3 GLN B 97 -11.397 -0.486 2.422 1.00 0.00 H new ATOM 0 HE21 GLN B 97 -11.949 -1.844 4.132 1.00 0.00 H new ATOM 0 HE22 GLN B 97 -10.745 -2.794 5.009 1.00 0.00 H new ATOM 1825 N GLN B 98 -10.475 -3.439 -2.011 1.00 0.00 N ATOM 1826 CA GLN B 98 -10.948 -4.231 -3.125 1.00 0.00 C ATOM 1827 C GLN B 98 -9.907 -5.281 -3.494 1.00 0.00 C ATOM 1828 O GLN B 98 -10.185 -6.475 -3.598 1.00 0.00 O ATOM 1829 CB GLN B 98 -11.149 -3.307 -4.337 1.00 0.00 C ATOM 1830 CG GLN B 98 -12.514 -2.649 -4.424 1.00 0.00 C ATOM 1831 CD GLN B 98 -13.662 -3.606 -4.205 1.00 0.00 C ATOM 1832 OE1 GLN B 98 -13.594 -4.784 -4.574 1.00 0.00 O ATOM 1833 NE2 GLN B 98 -14.722 -3.098 -3.602 1.00 0.00 N ATOM 0 H GLN B 98 -10.003 -2.579 -2.292 1.00 0.00 H new ATOM 0 HA GLN B 98 -11.882 -4.719 -2.848 1.00 0.00 H new ATOM 0 HB2 GLN B 98 -10.388 -2.527 -4.310 1.00 0.00 H new ATOM 0 HB3 GLN B 98 -10.982 -3.884 -5.246 1.00 0.00 H new ATOM 0 HG2 GLN B 98 -12.571 -1.851 -3.684 1.00 0.00 H new ATOM 0 HG3 GLN B 98 -12.622 -2.184 -5.404 1.00 0.00 H new ATOM 0 HE21 GLN B 98 -14.726 -2.118 -3.318 1.00 0.00 H new ATOM 0 HE22 GLN B 98 -15.536 -3.685 -3.421 1.00 0.00 H new ATOM 1842 N LEU B 99 -8.704 -4.784 -3.670 1.00 0.00 N ATOM 1843 CA LEU B 99 -7.544 -5.546 -4.097 1.00 0.00 C ATOM 1844 C LEU B 99 -6.910 -6.433 -3.022 1.00 0.00 C ATOM 1845 O LEU B 99 -6.636 -7.605 -3.278 1.00 0.00 O ATOM 1846 CB LEU B 99 -6.528 -4.528 -4.614 1.00 0.00 C ATOM 1847 CG LEU B 99 -6.709 -4.144 -6.084 1.00 0.00 C ATOM 1848 CD1 LEU B 99 -5.901 -2.903 -6.420 1.00 0.00 C ATOM 1849 CD2 LEU B 99 -6.322 -5.298 -6.994 1.00 0.00 C ATOM 0 H LEU B 99 -8.494 -3.798 -3.514 1.00 0.00 H new ATOM 0 HA LEU B 99 -7.868 -6.254 -4.859 1.00 0.00 H new ATOM 0 HB2 LEU B 99 -6.593 -3.626 -4.005 1.00 0.00 H new ATOM 0 HB3 LEU B 99 -5.525 -4.933 -4.478 1.00 0.00 H new ATOM 0 HG LEU B 99 -7.763 -3.919 -6.248 1.00 0.00 H new ATOM 0 HD11 LEU B 99 -6.045 -2.648 -7.470 1.00 0.00 H new ATOM 0 HD12 LEU B 99 -6.233 -2.073 -5.797 1.00 0.00 H new ATOM 0 HD13 LEU B 99 -4.844 -3.096 -6.235 1.00 0.00 H new ATOM 0 HD21 LEU B 99 -6.459 -5.003 -8.034 1.00 0.00 H new ATOM 0 HD22 LEU B 99 -5.277 -5.560 -6.825 1.00 0.00 H new ATOM 0 HD23 LEU B 99 -6.952 -6.160 -6.776 1.00 0.00 H new ATOM 1861 N LEU B 100 -6.701 -5.891 -1.830 1.00 0.00 N ATOM 1862 CA LEU B 100 -6.036 -6.619 -0.744 1.00 0.00 C ATOM 1863 C LEU B 100 -6.620 -8.013 -0.477 1.00 0.00 C ATOM 1864 O LEU B 100 -5.907 -9.006 -0.624 1.00 0.00 O ATOM 1865 CB LEU B 100 -5.996 -5.783 0.536 1.00 0.00 C ATOM 1866 CG LEU B 100 -5.011 -4.623 0.463 1.00 0.00 C ATOM 1867 CD1 LEU B 100 -4.896 -3.894 1.787 1.00 0.00 C ATOM 1868 CD2 LEU B 100 -3.655 -5.120 0.037 1.00 0.00 C ATOM 0 H LEU B 100 -6.983 -4.942 -1.584 1.00 0.00 H new ATOM 0 HA LEU B 100 -5.015 -6.789 -1.086 1.00 0.00 H new ATOM 0 HB2 LEU B 100 -6.993 -5.393 0.739 1.00 0.00 H new ATOM 0 HB3 LEU B 100 -5.729 -6.426 1.374 1.00 0.00 H new ATOM 0 HG LEU B 100 -5.392 -3.917 -0.275 1.00 0.00 H new ATOM 0 HD11 LEU B 100 -4.184 -3.075 1.691 1.00 0.00 H new ATOM 0 HD12 LEU B 100 -5.871 -3.496 2.069 1.00 0.00 H new ATOM 0 HD13 LEU B 100 -4.551 -4.586 2.555 1.00 0.00 H new ATOM 0 HD21 LEU B 100 -2.959 -4.282 -0.012 1.00 0.00 H new ATOM 0 HD22 LEU B 100 -3.292 -5.851 0.759 1.00 0.00 H new ATOM 0 HD23 LEU B 100 -3.731 -5.586 -0.945 1.00 0.00 H new ATOM 1880 N PRO B 101 -7.919 -8.135 -0.119 1.00 0.00 N ATOM 1881 CA PRO B 101 -8.528 -9.443 0.175 1.00 0.00 C ATOM 1882 C PRO B 101 -8.512 -10.396 -1.021 1.00 0.00 C ATOM 1883 O PRO B 101 -8.716 -11.601 -0.869 1.00 0.00 O ATOM 1884 CB PRO B 101 -9.970 -9.097 0.563 1.00 0.00 C ATOM 1885 CG PRO B 101 -10.215 -7.751 -0.019 1.00 0.00 C ATOM 1886 CD PRO B 101 -8.894 -7.038 0.025 1.00 0.00 C ATOM 0 HA PRO B 101 -7.975 -9.968 0.954 1.00 0.00 H new ATOM 0 HB2 PRO B 101 -10.672 -9.831 0.167 1.00 0.00 H new ATOM 0 HB3 PRO B 101 -10.095 -9.087 1.646 1.00 0.00 H new ATOM 0 HG2 PRO B 101 -10.583 -7.829 -1.042 1.00 0.00 H new ATOM 0 HG3 PRO B 101 -10.970 -7.210 0.551 1.00 0.00 H new ATOM 0 HD2 PRO B 101 -8.802 -6.309 -0.780 1.00 0.00 H new ATOM 0 HD3 PRO B 101 -8.758 -6.498 0.962 1.00 0.00 H new ATOM 1894 N LYS B 102 -8.249 -9.863 -2.205 1.00 0.00 N ATOM 1895 CA LYS B 102 -8.213 -10.679 -3.407 1.00 0.00 C ATOM 1896 C LYS B 102 -6.830 -11.285 -3.620 1.00 0.00 C ATOM 1897 O LYS B 102 -6.675 -12.222 -4.404 1.00 0.00 O ATOM 1898 CB LYS B 102 -8.628 -9.859 -4.634 1.00 0.00 C ATOM 1899 CG LYS B 102 -10.136 -9.701 -4.775 1.00 0.00 C ATOM 1900 CD LYS B 102 -10.536 -9.355 -6.203 1.00 0.00 C ATOM 1901 CE LYS B 102 -10.617 -7.853 -6.428 1.00 0.00 C ATOM 1902 NZ LYS B 102 -11.709 -7.226 -5.628 1.00 0.00 N ATOM 0 H LYS B 102 -8.058 -8.873 -2.358 1.00 0.00 H new ATOM 0 HA LYS B 102 -8.925 -11.493 -3.275 1.00 0.00 H new ATOM 0 HB2 LYS B 102 -8.171 -8.871 -4.573 1.00 0.00 H new ATOM 0 HB3 LYS B 102 -8.235 -10.337 -5.531 1.00 0.00 H new ATOM 0 HG2 LYS B 102 -10.628 -10.625 -4.473 1.00 0.00 H new ATOM 0 HG3 LYS B 102 -10.484 -8.919 -4.100 1.00 0.00 H new ATOM 0 HD2 LYS B 102 -9.813 -9.786 -6.896 1.00 0.00 H new ATOM 0 HD3 LYS B 102 -11.502 -9.807 -6.428 1.00 0.00 H new ATOM 0 HE2 LYS B 102 -9.664 -7.395 -6.163 1.00 0.00 H new ATOM 0 HE3 LYS B 102 -10.783 -7.653 -7.487 1.00 0.00 H new ATOM 0 HZ1 LYS B 102 -12.039 -6.364 -6.107 1.00 0.00 H new ATOM 0 HZ2 LYS B 102 -12.500 -7.895 -5.536 1.00 0.00 H new ATOM 0 HZ3 LYS B 102 -11.350 -6.981 -4.683 1.00 0.00 H new ATOM 1916 N PHE B 103 -5.830 -10.772 -2.907 1.00 0.00 N ATOM 1917 CA PHE B 103 -4.468 -11.277 -3.049 1.00 0.00 C ATOM 1918 C PHE B 103 -3.938 -11.891 -1.755 1.00 0.00 C ATOM 1919 O PHE B 103 -2.965 -12.641 -1.785 1.00 0.00 O ATOM 1920 CB PHE B 103 -3.530 -10.172 -3.533 1.00 0.00 C ATOM 1921 CG PHE B 103 -3.754 -9.804 -4.972 1.00 0.00 C ATOM 1922 CD1 PHE B 103 -3.127 -10.513 -5.984 1.00 0.00 C ATOM 1923 CD2 PHE B 103 -4.600 -8.763 -5.313 1.00 0.00 C ATOM 1924 CE1 PHE B 103 -3.341 -10.189 -7.309 1.00 0.00 C ATOM 1925 CE2 PHE B 103 -4.815 -8.433 -6.636 1.00 0.00 C ATOM 1926 CZ PHE B 103 -4.186 -9.147 -7.636 1.00 0.00 C ATOM 0 H PHE B 103 -5.936 -10.015 -2.232 1.00 0.00 H new ATOM 0 HA PHE B 103 -4.501 -12.070 -3.796 1.00 0.00 H new ATOM 0 HB2 PHE B 103 -3.668 -9.287 -2.911 1.00 0.00 H new ATOM 0 HB3 PHE B 103 -2.497 -10.496 -3.402 1.00 0.00 H new ATOM 0 HD1 PHE B 103 -2.464 -11.328 -5.734 1.00 0.00 H new ATOM 0 HD2 PHE B 103 -5.097 -8.203 -4.535 1.00 0.00 H new ATOM 0 HE1 PHE B 103 -2.848 -10.750 -8.089 1.00 0.00 H new ATOM 0 HE2 PHE B 103 -5.475 -7.616 -6.889 1.00 0.00 H new ATOM 0 HZ PHE B 103 -4.354 -8.891 -8.672 1.00 0.00 H new