USER MOD reduce.3.24.130724 H: found=0, std=0, add=839, rem=0, adj=27 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 53 GLN : amide:sc= -1.74 K(o=-0.65,f=-2.8!) USER MOD Set 1.2: B 97 GLN : amide:sc= 1.09 K(o=-0.65,f=-2.8) USER MOD Set 2.1: B 13 LYS NZ :NH3+ 140:sc= 1.14 (180deg=-2.73!) USER MOD Set 2.2: B 81 ASN : amide:sc= -1.01! C(o=1.4!,f=-10!) USER MOD Set 2.3: B 84 THR OG1 : rot 33:sc= 1.27 USER MOD Set 3.1: B 54 LYS NZ :NH3+ 165:sc= 0.231 (180deg=-0.38) USER MOD Set 3.2: B 66 GLN : amide:sc= -1.64 K(o=-8.9,f=-11!) USER MOD Set 3.3: B 76 ASN : amide:sc= -7.51! C(o=-8.9!,f=-11!) USER MOD Set 4.1: B 51 LYS NZ :NH3+ -165:sc= -2.4! (180deg=-4.02!) USER MOD Set 4.2: B 52 CYS SG : rot 180:sc= -3.42! USER MOD Set 5.1: B 45 HIS : no HE2:sc= -2.18! C(o=-2.2!,f=-4.8!) USER MOD Set 5.2: B 75 THR OG1 : rot 180:sc= 0 USER MOD Set 6.1: B 20 GLN : amide:sc= -0.255 K(o=2.2,f=-5.7) USER MOD Set 6.2: B 38 LYS NZ :NH3+ -155:sc= 2.44 (180deg=0.929) USER MOD Set 7.1: B 17 GLN : amide:sc= 0.444 K(o=0.23,f=-3) USER MOD Set 7.2: B 18 LYS NZ :NH3+ -139:sc= -0.214 (180deg=-1.68) USER MOD Single : A 404 ASN : amide:sc= 0.317 X(o=0.32,f=0) USER MOD Single : B 14 LYS NZ :NH3+ 160:sc= 1.82 (180deg=0.0603!) USER MOD Single : B 19 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.119) USER MOD Single : B 25 TYR OH : rot 180:sc= 0 USER MOD Single : B 27 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 42 THR OG1 : rot 77:sc= 0.0344 USER MOD Single : B 44 SER OG : rot -170:sc= 0.279 USER MOD Single : B 46 MET CE :methyl -155:sc= -0.333 (180deg=-1.41!) USER MOD Single : B 47 TYR OH : rot -32:sc= 1.15 USER MOD Single : B 56 SER OG : rot 160:sc= -1.29 USER MOD Single : B 60 LYS NZ :NH3+ 166:sc= 3.02 (180deg=1.55!) USER MOD Single : B 62 LYS NZ :NH3+ -126:sc= 1.13 (180deg=-0.74) USER MOD Single : B 64 GLN : amide:sc= -2.57! K(o=-2.6!,f=-0.64) USER MOD Single : B 70 HIS : no HE2:sc= -5.74! C(o=-5.7!,f=-10!) USER MOD Single : B 74 THR OG1 : rot 180:sc= 0 USER MOD Single : B 78 HIS : no HE2:sc= -3.77! C(o=-3.8!,f=-3.2!) USER MOD Single : B 80 SER OG : rot 25:sc= 1.05 USER MOD Single : B 83 SER OG : rot 59:sc= 1.23 USER MOD Single : B 87 LYS NZ :NH3+ -169:sc= 1.32 (180deg=1.14) USER MOD Single : B 93 LYS NZ :NH3+ -161:sc= 2.25 (180deg=2.13) USER MOD Single : B 98 GLN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : B 102 LYS NZ :NH3+ -137:sc= 0 (180deg=-0.0352) USER MOD ----------------------------------------------------------------- ATOM 101 N GLU A 399 1.661 12.603 11.741 1.00 0.00 N ATOM 102 CA GLU A 399 0.574 12.534 12.714 1.00 0.00 C ATOM 103 C GLU A 399 -0.378 11.426 12.316 1.00 0.00 C ATOM 104 O GLU A 399 -1.180 11.586 11.408 1.00 0.00 O ATOM 105 CB GLU A 399 -0.124 13.885 12.739 1.00 0.00 C ATOM 106 CG GLU A 399 -1.255 14.012 13.729 1.00 0.00 C ATOM 107 CD GLU A 399 -2.114 15.224 13.425 1.00 0.00 C ATOM 108 OE1 GLU A 399 -3.224 15.321 13.980 1.00 0.00 O ATOM 109 OE2 GLU A 399 -1.688 16.060 12.591 1.00 0.00 O ATOM 0 HA GLU A 399 0.950 12.311 13.713 1.00 0.00 H new ATOM 0 HB2 GLU A 399 0.617 14.653 12.959 1.00 0.00 H new ATOM 0 HB3 GLU A 399 -0.512 14.093 11.742 1.00 0.00 H new ATOM 0 HG2 GLU A 399 -1.869 13.112 13.702 1.00 0.00 H new ATOM 0 HG3 GLU A 399 -0.851 14.093 14.738 1.00 0.00 H new ATOM 116 N ASP A 400 -0.290 10.303 13.003 1.00 0.00 N ATOM 117 CA ASP A 400 -1.098 9.146 12.662 1.00 0.00 C ATOM 118 C ASP A 400 -1.711 8.469 13.878 1.00 0.00 C ATOM 119 O ASP A 400 -1.108 7.587 14.485 1.00 0.00 O ATOM 120 CB ASP A 400 -0.223 8.150 11.917 1.00 0.00 C ATOM 121 CG ASP A 400 1.215 8.154 12.414 1.00 0.00 C ATOM 122 OD1 ASP A 400 1.507 7.458 13.409 1.00 0.00 O ATOM 123 OD2 ASP A 400 2.050 8.867 11.814 1.00 0.00 O ATOM 0 H ASP A 400 0.332 10.167 13.800 1.00 0.00 H new ATOM 0 HA ASP A 400 -1.926 9.491 12.043 1.00 0.00 H new ATOM 0 HB2 ASP A 400 -0.640 7.149 12.029 1.00 0.00 H new ATOM 0 HB3 ASP A 400 -0.237 8.384 10.852 1.00 0.00 H new ATOM 128 N ASP A 401 -2.907 8.885 14.232 1.00 0.00 N ATOM 129 CA ASP A 401 -3.600 8.297 15.381 1.00 0.00 C ATOM 130 C ASP A 401 -5.088 8.078 15.126 1.00 0.00 C ATOM 131 O ASP A 401 -5.614 7.010 15.434 1.00 0.00 O ATOM 132 CB ASP A 401 -3.389 9.153 16.639 1.00 0.00 C ATOM 133 CG ASP A 401 -3.965 10.555 16.511 1.00 0.00 C ATOM 134 OD1 ASP A 401 -4.016 11.086 15.376 1.00 0.00 O ATOM 135 OD2 ASP A 401 -4.362 11.129 17.540 1.00 0.00 O ATOM 0 H ASP A 401 -3.425 9.621 13.752 1.00 0.00 H new ATOM 0 HA ASP A 401 -3.159 7.313 15.541 1.00 0.00 H new ATOM 0 HB2 ASP A 401 -3.849 8.654 17.492 1.00 0.00 H new ATOM 0 HB3 ASP A 401 -2.322 9.223 16.849 1.00 0.00 H new ATOM 140 N ASP A 402 -5.763 9.069 14.552 1.00 0.00 N ATOM 141 CA ASP A 402 -7.196 8.960 14.257 1.00 0.00 C ATOM 142 C ASP A 402 -7.437 8.006 13.097 1.00 0.00 C ATOM 143 O ASP A 402 -8.555 7.882 12.592 1.00 0.00 O ATOM 144 CB ASP A 402 -7.805 10.331 13.940 1.00 0.00 C ATOM 145 CG ASP A 402 -7.044 11.096 12.871 1.00 0.00 C ATOM 146 OD1 ASP A 402 -6.417 10.462 11.993 1.00 0.00 O ATOM 147 OD2 ASP A 402 -7.057 12.340 12.924 1.00 0.00 O ATOM 0 H ASP A 402 -5.345 9.959 14.280 1.00 0.00 H new ATOM 0 HA ASP A 402 -7.684 8.564 15.148 1.00 0.00 H new ATOM 0 HB2 ASP A 402 -8.837 10.196 13.615 1.00 0.00 H new ATOM 0 HB3 ASP A 402 -7.834 10.927 14.852 1.00 0.00 H new ATOM 152 N PHE A 403 -6.370 7.337 12.693 1.00 0.00 N ATOM 153 CA PHE A 403 -6.389 6.383 11.625 1.00 0.00 C ATOM 154 C PHE A 403 -7.472 5.337 11.855 1.00 0.00 C ATOM 155 O PHE A 403 -7.450 4.608 12.846 1.00 0.00 O ATOM 156 CB PHE A 403 -5.029 5.737 11.582 1.00 0.00 C ATOM 157 CG PHE A 403 -4.184 6.129 10.429 1.00 0.00 C ATOM 158 CD1 PHE A 403 -4.663 6.004 9.146 1.00 0.00 C ATOM 159 CD2 PHE A 403 -2.894 6.566 10.627 1.00 0.00 C ATOM 160 CE1 PHE A 403 -3.867 6.306 8.069 1.00 0.00 C ATOM 161 CE2 PHE A 403 -2.095 6.881 9.554 1.00 0.00 C ATOM 162 CZ PHE A 403 -2.580 6.746 8.275 1.00 0.00 C ATOM 0 H PHE A 403 -5.450 7.454 13.117 1.00 0.00 H new ATOM 0 HA PHE A 403 -6.613 6.873 10.678 1.00 0.00 H new ATOM 0 HB2 PHE A 403 -4.498 5.982 12.502 1.00 0.00 H new ATOM 0 HB3 PHE A 403 -5.158 4.655 11.567 1.00 0.00 H new ATOM 0 HD1 PHE A 403 -5.675 5.665 8.984 1.00 0.00 H new ATOM 0 HD2 PHE A 403 -2.508 6.662 11.631 1.00 0.00 H new ATOM 0 HE1 PHE A 403 -4.249 6.199 7.065 1.00 0.00 H new ATOM 0 HE2 PHE A 403 -1.087 7.234 9.716 1.00 0.00 H new ATOM 0 HZ PHE A 403 -1.950 6.986 7.431 1.00 0.00 H new ATOM 172 N ASN A 404 -8.400 5.261 10.922 1.00 0.00 N ATOM 173 CA ASN A 404 -9.520 4.340 11.025 1.00 0.00 C ATOM 174 C ASN A 404 -9.289 3.094 10.191 1.00 0.00 C ATOM 175 O ASN A 404 -8.721 3.157 9.100 1.00 0.00 O ATOM 176 CB ASN A 404 -10.810 5.033 10.581 1.00 0.00 C ATOM 177 CG ASN A 404 -11.599 5.601 11.745 1.00 0.00 C ATOM 178 OD1 ASN A 404 -12.563 4.998 12.210 1.00 0.00 O ATOM 179 ND2 ASN A 404 -11.188 6.762 12.232 1.00 0.00 N ATOM 0 H ASN A 404 -8.402 5.831 10.076 1.00 0.00 H new ATOM 0 HA ASN A 404 -9.611 4.036 12.068 1.00 0.00 H new ATOM 0 HB2 ASN A 404 -10.565 5.837 9.886 1.00 0.00 H new ATOM 0 HB3 ASN A 404 -11.432 4.321 10.039 1.00 0.00 H new ATOM 0 HD21 ASN A 404 -11.677 7.186 13.021 1.00 0.00 H new ATOM 0 HD22 ASN A 404 -10.383 7.232 11.818 1.00 0.00 H new ATOM 361 N VAL B 8 -0.431 0.221 -13.598 1.00 0.00 N ATOM 362 CA VAL B 8 -0.957 1.208 -12.674 1.00 0.00 C ATOM 363 C VAL B 8 -2.431 1.464 -12.941 1.00 0.00 C ATOM 364 O VAL B 8 -2.810 1.920 -14.019 1.00 0.00 O ATOM 365 CB VAL B 8 -0.183 2.532 -12.768 1.00 0.00 C ATOM 366 CG1 VAL B 8 -0.811 3.578 -11.863 1.00 0.00 C ATOM 367 CG2 VAL B 8 1.277 2.310 -12.411 1.00 0.00 C ATOM 0 HA VAL B 8 -0.838 0.805 -11.668 1.00 0.00 H new ATOM 0 HB VAL B 8 -0.233 2.899 -13.793 1.00 0.00 H new ATOM 0 HG11 VAL B 8 -0.251 4.510 -11.941 1.00 0.00 H new ATOM 0 HG12 VAL B 8 -1.844 3.749 -12.166 1.00 0.00 H new ATOM 0 HG13 VAL B 8 -0.789 3.227 -10.831 1.00 0.00 H new ATOM 0 HG21 VAL B 8 1.816 3.255 -12.481 1.00 0.00 H new ATOM 0 HG22 VAL B 8 1.348 1.926 -11.393 1.00 0.00 H new ATOM 0 HG23 VAL B 8 1.715 1.590 -13.102 1.00 0.00 H new ATOM 377 N LEU B 9 -3.254 1.154 -11.953 1.00 0.00 N ATOM 378 CA LEU B 9 -4.687 1.349 -12.065 1.00 0.00 C ATOM 379 C LEU B 9 -5.089 2.684 -11.448 1.00 0.00 C ATOM 380 O LEU B 9 -6.042 3.323 -11.888 1.00 0.00 O ATOM 381 CB LEU B 9 -5.445 0.211 -11.366 1.00 0.00 C ATOM 382 CG LEU B 9 -4.950 -1.209 -11.667 1.00 0.00 C ATOM 383 CD1 LEU B 9 -5.725 -2.226 -10.844 1.00 0.00 C ATOM 384 CD2 LEU B 9 -5.076 -1.519 -13.151 1.00 0.00 C ATOM 0 H LEU B 9 -2.951 0.764 -11.061 1.00 0.00 H new ATOM 0 HA LEU B 9 -4.947 1.349 -13.123 1.00 0.00 H new ATOM 0 HB2 LEU B 9 -5.392 0.373 -10.289 1.00 0.00 H new ATOM 0 HB3 LEU B 9 -6.496 0.275 -11.646 1.00 0.00 H new ATOM 0 HG LEU B 9 -3.897 -1.270 -11.393 1.00 0.00 H new ATOM 0 HD11 LEU B 9 -5.362 -3.229 -11.069 1.00 0.00 H new ATOM 0 HD12 LEU B 9 -5.584 -2.019 -9.783 1.00 0.00 H new ATOM 0 HD13 LEU B 9 -6.785 -2.160 -11.089 1.00 0.00 H new ATOM 0 HD21 LEU B 9 -4.719 -2.531 -13.343 1.00 0.00 H new ATOM 0 HD22 LEU B 9 -6.121 -1.439 -13.452 1.00 0.00 H new ATOM 0 HD23 LEU B 9 -4.478 -0.809 -13.723 1.00 0.00 H new ATOM 396 N LEU B 10 -4.355 3.096 -10.425 1.00 0.00 N ATOM 397 CA LEU B 10 -4.645 4.342 -9.737 1.00 0.00 C ATOM 398 C LEU B 10 -3.399 5.197 -9.561 1.00 0.00 C ATOM 399 O LEU B 10 -2.374 4.719 -9.080 1.00 0.00 O ATOM 400 CB LEU B 10 -5.236 4.040 -8.369 1.00 0.00 C ATOM 401 CG LEU B 10 -5.628 5.274 -7.554 1.00 0.00 C ATOM 402 CD1 LEU B 10 -7.056 5.696 -7.834 1.00 0.00 C ATOM 403 CD2 LEU B 10 -5.443 5.012 -6.077 1.00 0.00 C ATOM 0 H LEU B 10 -3.554 2.584 -10.054 1.00 0.00 H new ATOM 0 HA LEU B 10 -5.355 4.899 -10.348 1.00 0.00 H new ATOM 0 HB2 LEU B 10 -6.118 3.413 -8.500 1.00 0.00 H new ATOM 0 HB3 LEU B 10 -4.513 3.458 -7.797 1.00 0.00 H new ATOM 0 HG LEU B 10 -4.972 6.090 -7.856 1.00 0.00 H new ATOM 0 HD11 LEU B 10 -7.299 6.575 -7.238 1.00 0.00 H new ATOM 0 HD12 LEU B 10 -7.164 5.934 -8.892 1.00 0.00 H new ATOM 0 HD13 LEU B 10 -7.733 4.883 -7.574 1.00 0.00 H new ATOM 0 HD21 LEU B 10 -5.726 5.900 -5.512 1.00 0.00 H new ATOM 0 HD22 LEU B 10 -6.071 4.174 -5.775 1.00 0.00 H new ATOM 0 HD23 LEU B 10 -4.398 4.773 -5.878 1.00 0.00 H new ATOM 415 N ILE B 11 -3.497 6.458 -9.952 1.00 0.00 N ATOM 416 CA ILE B 11 -2.393 7.388 -9.802 1.00 0.00 C ATOM 417 C ILE B 11 -2.769 8.466 -8.800 1.00 0.00 C ATOM 418 O ILE B 11 -3.769 9.163 -8.966 1.00 0.00 O ATOM 419 CB ILE B 11 -1.985 8.058 -11.128 1.00 0.00 C ATOM 420 CG1 ILE B 11 -1.597 6.999 -12.165 1.00 0.00 C ATOM 421 CG2 ILE B 11 -0.828 9.023 -10.882 1.00 0.00 C ATOM 422 CD1 ILE B 11 -1.292 7.563 -13.536 1.00 0.00 C ATOM 0 H ILE B 11 -4.333 6.860 -10.376 1.00 0.00 H new ATOM 0 HA ILE B 11 -1.538 6.809 -9.452 1.00 0.00 H new ATOM 0 HB ILE B 11 -2.833 8.619 -11.520 1.00 0.00 H new ATOM 0 HG12 ILE B 11 -0.724 6.455 -11.805 1.00 0.00 H new ATOM 0 HG13 ILE B 11 -2.409 6.277 -12.253 1.00 0.00 H new ATOM 0 HG21 ILE B 11 -0.542 9.495 -11.822 1.00 0.00 H new ATOM 0 HG22 ILE B 11 -1.138 9.789 -10.171 1.00 0.00 H new ATOM 0 HG23 ILE B 11 0.023 8.475 -10.477 1.00 0.00 H new ATOM 0 HD11 ILE B 11 -1.026 6.751 -14.213 1.00 0.00 H new ATOM 0 HD12 ILE B 11 -2.170 8.082 -13.920 1.00 0.00 H new ATOM 0 HD13 ILE B 11 -0.460 8.263 -13.465 1.00 0.00 H new ATOM 434 N VAL B 12 -1.968 8.587 -7.764 1.00 0.00 N ATOM 435 CA VAL B 12 -2.191 9.558 -6.719 1.00 0.00 C ATOM 436 C VAL B 12 -1.077 10.585 -6.747 1.00 0.00 C ATOM 437 O VAL B 12 0.049 10.279 -7.133 1.00 0.00 O ATOM 438 CB VAL B 12 -2.248 8.885 -5.339 1.00 0.00 C ATOM 439 CG1 VAL B 12 -2.819 9.824 -4.298 1.00 0.00 C ATOM 440 CG2 VAL B 12 -3.065 7.607 -5.410 1.00 0.00 C ATOM 0 H VAL B 12 -1.139 8.010 -7.624 1.00 0.00 H new ATOM 0 HA VAL B 12 -3.150 10.045 -6.894 1.00 0.00 H new ATOM 0 HB VAL B 12 -1.230 8.634 -5.041 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -2.848 9.321 -3.331 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -2.192 10.713 -4.227 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -3.829 10.115 -4.586 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -3.097 7.141 -4.425 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -4.079 7.841 -5.734 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -2.606 6.921 -6.122 1.00 0.00 H new ATOM 450 N LYS B 13 -1.388 11.791 -6.339 1.00 0.00 N ATOM 451 CA LYS B 13 -0.413 12.864 -6.356 1.00 0.00 C ATOM 452 C LYS B 13 -0.119 13.366 -4.960 1.00 0.00 C ATOM 453 O LYS B 13 -0.759 12.940 -4.005 1.00 0.00 O ATOM 454 CB LYS B 13 -0.916 14.003 -7.231 1.00 0.00 C ATOM 455 CG LYS B 13 -1.019 13.614 -8.690 1.00 0.00 C ATOM 456 CD LYS B 13 -2.230 14.240 -9.357 1.00 0.00 C ATOM 457 CE LYS B 13 -3.522 13.494 -9.030 1.00 0.00 C ATOM 458 NZ LYS B 13 -4.144 13.953 -7.756 1.00 0.00 N ATOM 0 H LYS B 13 -2.308 12.058 -5.990 1.00 0.00 H new ATOM 0 HA LYS B 13 0.516 12.473 -6.770 1.00 0.00 H new ATOM 0 HB2 LYS B 13 -1.894 14.325 -6.875 1.00 0.00 H new ATOM 0 HB3 LYS B 13 -0.244 14.856 -7.133 1.00 0.00 H new ATOM 0 HG2 LYS B 13 -0.115 13.925 -9.214 1.00 0.00 H new ATOM 0 HG3 LYS B 13 -1.079 12.529 -8.773 1.00 0.00 H new ATOM 0 HD2 LYS B 13 -2.322 15.278 -9.038 1.00 0.00 H new ATOM 0 HD3 LYS B 13 -2.082 14.250 -10.437 1.00 0.00 H new ATOM 0 HE2 LYS B 13 -4.232 13.630 -9.846 1.00 0.00 H new ATOM 0 HE3 LYS B 13 -3.313 12.426 -8.964 1.00 0.00 H new ATOM 0 HZ1 LYS B 13 -5.177 13.999 -7.871 1.00 0.00 H new ATOM 0 HZ2 LYS B 13 -3.909 13.285 -6.995 1.00 0.00 H new ATOM 0 HZ3 LYS B 13 -3.781 14.897 -7.513 1.00 0.00 H new ATOM 472 N LYS B 14 0.796 14.338 -4.902 1.00 0.00 N ATOM 473 CA LYS B 14 1.276 14.965 -3.660 1.00 0.00 C ATOM 474 C LYS B 14 0.988 14.135 -2.410 1.00 0.00 C ATOM 475 O LYS B 14 0.113 14.463 -1.604 1.00 0.00 O ATOM 476 CB LYS B 14 0.658 16.354 -3.518 1.00 0.00 C ATOM 477 CG LYS B 14 1.370 17.420 -4.330 1.00 0.00 C ATOM 478 CD LYS B 14 2.128 18.387 -3.438 1.00 0.00 C ATOM 479 CE LYS B 14 3.346 18.957 -4.146 1.00 0.00 C ATOM 480 NZ LYS B 14 4.442 17.960 -4.239 1.00 0.00 N ATOM 0 H LYS B 14 1.237 14.723 -5.737 1.00 0.00 H new ATOM 0 HA LYS B 14 2.361 15.035 -3.739 1.00 0.00 H new ATOM 0 HB2 LYS B 14 -0.387 16.311 -3.826 1.00 0.00 H new ATOM 0 HB3 LYS B 14 0.669 16.642 -2.467 1.00 0.00 H new ATOM 0 HG2 LYS B 14 2.063 16.946 -5.026 1.00 0.00 H new ATOM 0 HG3 LYS B 14 0.643 17.969 -4.928 1.00 0.00 H new ATOM 0 HD2 LYS B 14 1.467 19.200 -3.136 1.00 0.00 H new ATOM 0 HD3 LYS B 14 2.441 17.876 -2.528 1.00 0.00 H new ATOM 0 HE2 LYS B 14 3.065 19.284 -5.147 1.00 0.00 H new ATOM 0 HE3 LYS B 14 3.700 19.838 -3.610 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 5.101 18.238 -4.994 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 4.951 17.918 -3.333 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 4.043 17.024 -4.456 1.00 0.00 H new ATOM 494 N VAL B 15 1.731 13.048 -2.281 1.00 0.00 N ATOM 495 CA VAL B 15 1.613 12.142 -1.154 1.00 0.00 C ATOM 496 C VAL B 15 2.971 11.999 -0.485 1.00 0.00 C ATOM 497 O VAL B 15 3.955 11.669 -1.143 1.00 0.00 O ATOM 498 CB VAL B 15 1.108 10.744 -1.592 1.00 0.00 C ATOM 499 CG1 VAL B 15 1.356 9.701 -0.510 1.00 0.00 C ATOM 500 CG2 VAL B 15 -0.369 10.790 -1.936 1.00 0.00 C ATOM 0 H VAL B 15 2.438 12.769 -2.961 1.00 0.00 H new ATOM 0 HA VAL B 15 0.885 12.559 -0.458 1.00 0.00 H new ATOM 0 HB VAL B 15 1.670 10.457 -2.481 1.00 0.00 H new ATOM 0 HG11 VAL B 15 0.990 8.732 -0.848 1.00 0.00 H new ATOM 0 HG12 VAL B 15 2.425 9.635 -0.307 1.00 0.00 H new ATOM 0 HG13 VAL B 15 0.831 9.989 0.400 1.00 0.00 H new ATOM 0 HG21 VAL B 15 -0.703 9.798 -2.241 1.00 0.00 H new ATOM 0 HG22 VAL B 15 -0.936 11.111 -1.062 1.00 0.00 H new ATOM 0 HG23 VAL B 15 -0.531 11.494 -2.752 1.00 0.00 H new ATOM 510 N ARG B 16 3.027 12.262 0.808 1.00 0.00 N ATOM 511 CA ARG B 16 4.269 12.151 1.543 1.00 0.00 C ATOM 512 C ARG B 16 4.392 10.781 2.180 1.00 0.00 C ATOM 513 O ARG B 16 3.443 10.274 2.778 1.00 0.00 O ATOM 514 CB ARG B 16 4.387 13.229 2.626 1.00 0.00 C ATOM 515 CG ARG B 16 4.746 14.598 2.089 1.00 0.00 C ATOM 516 CD ARG B 16 3.506 15.417 1.793 1.00 0.00 C ATOM 517 NE ARG B 16 3.787 16.489 0.848 1.00 0.00 N ATOM 518 CZ ARG B 16 3.624 17.782 1.108 1.00 0.00 C ATOM 519 NH1 ARG B 16 3.100 18.170 2.268 1.00 0.00 N ATOM 520 NH2 ARG B 16 3.976 18.684 0.200 1.00 0.00 N ATOM 0 H ARG B 16 2.226 12.554 1.369 1.00 0.00 H new ATOM 0 HA ARG B 16 5.078 12.294 0.827 1.00 0.00 H new ATOM 0 HB2 ARG B 16 3.441 13.296 3.163 1.00 0.00 H new ATOM 0 HB3 ARG B 16 5.143 12.923 3.349 1.00 0.00 H new ATOM 0 HG2 ARG B 16 5.367 15.124 2.814 1.00 0.00 H new ATOM 0 HG3 ARG B 16 5.339 14.490 1.181 1.00 0.00 H new ATOM 0 HD2 ARG B 16 2.729 14.769 1.389 1.00 0.00 H new ATOM 0 HD3 ARG B 16 3.118 15.840 2.720 1.00 0.00 H new ATOM 0 HE ARG B 16 4.132 16.230 -0.076 1.00 0.00 H new ATOM 0 HH11 ARG B 16 2.822 17.474 2.960 1.00 0.00 H new ATOM 0 HH12 ARG B 16 2.976 19.163 2.465 1.00 0.00 H new ATOM 0 HH21 ARG B 16 4.369 18.383 -0.692 1.00 0.00 H new ATOM 0 HH22 ARG B 16 3.853 19.678 0.394 1.00 0.00 H new ATOM 534 N GLN B 17 5.549 10.178 2.013 1.00 0.00 N ATOM 535 CA GLN B 17 5.829 8.885 2.595 1.00 0.00 C ATOM 536 C GLN B 17 7.148 8.961 3.333 1.00 0.00 C ATOM 537 O GLN B 17 8.195 9.185 2.726 1.00 0.00 O ATOM 538 CB GLN B 17 5.881 7.791 1.532 1.00 0.00 C ATOM 539 CG GLN B 17 5.310 6.467 2.007 1.00 0.00 C ATOM 540 CD GLN B 17 6.164 5.790 3.062 1.00 0.00 C ATOM 541 OE1 GLN B 17 7.392 5.802 2.998 1.00 0.00 O ATOM 542 NE2 GLN B 17 5.516 5.220 4.061 1.00 0.00 N ATOM 0 H GLN B 17 6.320 10.569 1.471 1.00 0.00 H new ATOM 0 HA GLN B 17 5.026 8.628 3.285 1.00 0.00 H new ATOM 0 HB2 GLN B 17 5.330 8.122 0.652 1.00 0.00 H new ATOM 0 HB3 GLN B 17 6.916 7.643 1.223 1.00 0.00 H new ATOM 0 HG2 GLN B 17 4.311 6.634 2.410 1.00 0.00 H new ATOM 0 HG3 GLN B 17 5.202 5.798 1.153 1.00 0.00 H new ATOM 0 HE21 GLN B 17 4.496 5.230 4.079 1.00 0.00 H new ATOM 0 HE22 GLN B 17 6.035 4.769 4.814 1.00 0.00 H new ATOM 551 N LYS B 18 7.070 8.823 4.647 1.00 0.00 N ATOM 552 CA LYS B 18 8.237 8.872 5.511 1.00 0.00 C ATOM 553 C LYS B 18 8.840 10.268 5.490 1.00 0.00 C ATOM 554 O LYS B 18 10.060 10.434 5.447 1.00 0.00 O ATOM 555 CB LYS B 18 9.266 7.815 5.091 1.00 0.00 C ATOM 556 CG LYS B 18 9.986 7.157 6.259 1.00 0.00 C ATOM 557 CD LYS B 18 9.013 6.678 7.331 1.00 0.00 C ATOM 558 CE LYS B 18 7.933 5.770 6.758 1.00 0.00 C ATOM 559 NZ LYS B 18 6.591 6.407 6.813 1.00 0.00 N ATOM 0 H LYS B 18 6.193 8.673 5.145 1.00 0.00 H new ATOM 0 HA LYS B 18 7.931 8.646 6.533 1.00 0.00 H new ATOM 0 HB2 LYS B 18 8.763 7.045 4.506 1.00 0.00 H new ATOM 0 HB3 LYS B 18 10.004 8.280 4.437 1.00 0.00 H new ATOM 0 HG2 LYS B 18 10.570 6.312 5.895 1.00 0.00 H new ATOM 0 HG3 LYS B 18 10.689 7.865 6.697 1.00 0.00 H new ATOM 0 HD2 LYS B 18 9.562 6.143 8.106 1.00 0.00 H new ATOM 0 HD3 LYS B 18 8.546 7.540 7.808 1.00 0.00 H new ATOM 0 HE2 LYS B 18 8.176 5.523 5.725 1.00 0.00 H new ATOM 0 HE3 LYS B 18 7.914 4.832 7.314 1.00 0.00 H new ATOM 0 HZ1 LYS B 18 5.883 5.701 7.098 1.00 0.00 H new ATOM 0 HZ2 LYS B 18 6.604 7.184 7.504 1.00 0.00 H new ATOM 0 HZ3 LYS B 18 6.346 6.783 5.875 1.00 0.00 H new ATOM 573 N LYS B 19 7.953 11.266 5.512 1.00 0.00 N ATOM 574 CA LYS B 19 8.348 12.673 5.505 1.00 0.00 C ATOM 575 C LYS B 19 8.971 13.064 4.158 1.00 0.00 C ATOM 576 O LYS B 19 9.812 13.959 4.087 1.00 0.00 O ATOM 577 CB LYS B 19 9.322 12.968 6.661 1.00 0.00 C ATOM 578 CG LYS B 19 8.659 13.525 7.917 1.00 0.00 C ATOM 579 CD LYS B 19 8.187 12.432 8.880 1.00 0.00 C ATOM 580 CE LYS B 19 7.867 13.008 10.244 1.00 0.00 C ATOM 581 NZ LYS B 19 6.844 14.078 10.150 1.00 0.00 N ATOM 0 H LYS B 19 6.944 11.120 5.535 1.00 0.00 H new ATOM 0 HA LYS B 19 7.451 13.276 5.648 1.00 0.00 H new ATOM 0 HB2 LYS B 19 9.849 12.049 6.920 1.00 0.00 H new ATOM 0 HB3 LYS B 19 10.072 13.679 6.315 1.00 0.00 H new ATOM 0 HG2 LYS B 19 9.363 14.177 8.434 1.00 0.00 H new ATOM 0 HG3 LYS B 19 7.807 14.140 7.629 1.00 0.00 H new ATOM 0 HD2 LYS B 19 7.303 11.941 8.473 1.00 0.00 H new ATOM 0 HD3 LYS B 19 8.960 11.669 8.976 1.00 0.00 H new ATOM 0 HE2 LYS B 19 7.508 12.216 10.901 1.00 0.00 H new ATOM 0 HE3 LYS B 19 8.775 13.409 10.694 1.00 0.00 H new ATOM 0 HZ1 LYS B 19 6.497 14.312 11.102 1.00 0.00 H new ATOM 0 HZ2 LYS B 19 7.266 14.925 9.718 1.00 0.00 H new ATOM 0 HZ3 LYS B 19 6.050 13.749 9.564 1.00 0.00 H new ATOM 595 N GLN B 20 8.535 12.400 3.090 1.00 0.00 N ATOM 596 CA GLN B 20 9.046 12.673 1.748 1.00 0.00 C ATOM 597 C GLN B 20 7.894 12.846 0.760 1.00 0.00 C ATOM 598 O GLN B 20 7.031 11.984 0.658 1.00 0.00 O ATOM 599 CB GLN B 20 9.962 11.531 1.298 1.00 0.00 C ATOM 600 CG GLN B 20 10.619 11.754 -0.056 1.00 0.00 C ATOM 601 CD GLN B 20 11.623 12.893 -0.049 1.00 0.00 C ATOM 602 OE1 GLN B 20 11.859 13.539 -1.074 1.00 0.00 O ATOM 603 NE2 GLN B 20 12.227 13.145 1.104 1.00 0.00 N ATOM 0 H GLN B 20 7.827 11.667 3.128 1.00 0.00 H new ATOM 0 HA GLN B 20 9.618 13.600 1.774 1.00 0.00 H new ATOM 0 HB2 GLN B 20 10.740 11.388 2.048 1.00 0.00 H new ATOM 0 HB3 GLN B 20 9.382 10.609 1.260 1.00 0.00 H new ATOM 0 HG2 GLN B 20 11.121 10.837 -0.365 1.00 0.00 H new ATOM 0 HG3 GLN B 20 9.848 11.962 -0.798 1.00 0.00 H new ATOM 0 HE21 GLN B 20 12.004 12.588 1.929 1.00 0.00 H new ATOM 0 HE22 GLN B 20 12.915 13.896 1.166 1.00 0.00 H new ATOM 612 N ASP B 21 7.890 13.960 0.033 1.00 0.00 N ATOM 613 CA ASP B 21 6.829 14.253 -0.940 1.00 0.00 C ATOM 614 C ASP B 21 6.966 13.392 -2.196 1.00 0.00 C ATOM 615 O ASP B 21 8.082 13.071 -2.612 1.00 0.00 O ATOM 616 CB ASP B 21 6.871 15.735 -1.326 1.00 0.00 C ATOM 617 CG ASP B 21 5.498 16.301 -1.624 1.00 0.00 C ATOM 618 OD1 ASP B 21 5.382 17.532 -1.818 1.00 0.00 O ATOM 619 OD2 ASP B 21 4.520 15.533 -1.628 1.00 0.00 O ATOM 0 H ASP B 21 8.610 14.680 0.096 1.00 0.00 H new ATOM 0 HA ASP B 21 5.873 14.020 -0.472 1.00 0.00 H new ATOM 0 HB2 ASP B 21 7.326 16.304 -0.516 1.00 0.00 H new ATOM 0 HB3 ASP B 21 7.509 15.860 -2.201 1.00 0.00 H new ATOM 624 N GLY B 22 5.837 13.025 -2.804 1.00 0.00 N ATOM 625 CA GLY B 22 5.874 12.206 -4.003 1.00 0.00 C ATOM 626 C GLY B 22 4.499 11.897 -4.580 1.00 0.00 C ATOM 627 O GLY B 22 3.505 12.523 -4.219 1.00 0.00 O ATOM 0 H GLY B 22 4.902 13.280 -2.487 1.00 0.00 H new ATOM 0 HA2 GLY B 22 6.470 12.715 -4.761 1.00 0.00 H new ATOM 0 HA3 GLY B 22 6.381 11.268 -3.776 1.00 0.00 H new ATOM 631 N ALA B 23 4.456 10.910 -5.470 1.00 0.00 N ATOM 632 CA ALA B 23 3.227 10.483 -6.130 1.00 0.00 C ATOM 633 C ALA B 23 3.044 8.980 -5.939 1.00 0.00 C ATOM 634 O ALA B 23 3.997 8.208 -6.071 1.00 0.00 O ATOM 635 CB ALA B 23 3.276 10.831 -7.610 1.00 0.00 C ATOM 0 H ALA B 23 5.280 10.380 -5.755 1.00 0.00 H new ATOM 0 HA ALA B 23 2.379 11.004 -5.686 1.00 0.00 H new ATOM 0 HB1 ALA B 23 2.353 10.507 -8.091 1.00 0.00 H new ATOM 0 HB2 ALA B 23 3.387 11.909 -7.727 1.00 0.00 H new ATOM 0 HB3 ALA B 23 4.123 10.327 -8.074 1.00 0.00 H new ATOM 641 N LEU B 24 1.826 8.573 -5.631 1.00 0.00 N ATOM 642 CA LEU B 24 1.513 7.168 -5.387 1.00 0.00 C ATOM 643 C LEU B 24 0.891 6.522 -6.626 1.00 0.00 C ATOM 644 O LEU B 24 0.148 7.162 -7.358 1.00 0.00 O ATOM 645 CB LEU B 24 0.567 7.076 -4.188 1.00 0.00 C ATOM 646 CG LEU B 24 0.103 5.668 -3.831 1.00 0.00 C ATOM 647 CD1 LEU B 24 1.031 5.011 -2.839 1.00 0.00 C ATOM 648 CD2 LEU B 24 -1.312 5.702 -3.285 1.00 0.00 C ATOM 0 H LEU B 24 1.026 9.200 -5.542 1.00 0.00 H new ATOM 0 HA LEU B 24 2.432 6.624 -5.168 1.00 0.00 H new ATOM 0 HB2 LEU B 24 1.064 7.508 -3.320 1.00 0.00 H new ATOM 0 HB3 LEU B 24 -0.311 7.690 -4.391 1.00 0.00 H new ATOM 0 HG LEU B 24 0.119 5.073 -4.744 1.00 0.00 H new ATOM 0 HD11 LEU B 24 0.668 4.009 -2.609 1.00 0.00 H new ATOM 0 HD12 LEU B 24 2.032 4.945 -3.266 1.00 0.00 H new ATOM 0 HD13 LEU B 24 1.065 5.604 -1.925 1.00 0.00 H new ATOM 0 HD21 LEU B 24 -1.630 4.690 -3.035 1.00 0.00 H new ATOM 0 HD22 LEU B 24 -1.342 6.324 -2.390 1.00 0.00 H new ATOM 0 HD23 LEU B 24 -1.982 6.117 -4.038 1.00 0.00 H new ATOM 660 N TYR B 25 1.216 5.259 -6.871 1.00 0.00 N ATOM 661 CA TYR B 25 0.685 4.533 -8.022 1.00 0.00 C ATOM 662 C TYR B 25 0.289 3.117 -7.614 1.00 0.00 C ATOM 663 O TYR B 25 1.137 2.309 -7.238 1.00 0.00 O ATOM 664 CB TYR B 25 1.720 4.452 -9.154 1.00 0.00 C ATOM 665 CG TYR B 25 2.361 5.769 -9.533 1.00 0.00 C ATOM 666 CD1 TYR B 25 1.821 6.564 -10.535 1.00 0.00 C ATOM 667 CD2 TYR B 25 3.516 6.210 -8.898 1.00 0.00 C ATOM 668 CE1 TYR B 25 2.413 7.760 -10.892 1.00 0.00 C ATOM 669 CE2 TYR B 25 4.110 7.406 -9.247 1.00 0.00 C ATOM 670 CZ TYR B 25 3.556 8.177 -10.245 1.00 0.00 C ATOM 671 OH TYR B 25 4.147 9.368 -10.598 1.00 0.00 O ATOM 0 H TYR B 25 1.848 4.712 -6.286 1.00 0.00 H new ATOM 0 HA TYR B 25 -0.189 5.077 -8.380 1.00 0.00 H new ATOM 0 HB2 TYR B 25 2.505 3.755 -8.859 1.00 0.00 H new ATOM 0 HB3 TYR B 25 1.238 4.033 -10.037 1.00 0.00 H new ATOM 0 HD1 TYR B 25 0.924 6.242 -11.043 1.00 0.00 H new ATOM 0 HD2 TYR B 25 3.956 5.606 -8.118 1.00 0.00 H new ATOM 0 HE1 TYR B 25 1.982 8.366 -11.675 1.00 0.00 H new ATOM 0 HE2 TYR B 25 5.005 7.736 -8.740 1.00 0.00 H new ATOM 0 HH TYR B 25 4.943 9.515 -10.045 1.00 0.00 H new ATOM 681 N LEU B 26 -0.994 2.808 -7.695 1.00 0.00 N ATOM 682 CA LEU B 26 -1.465 1.482 -7.317 1.00 0.00 C ATOM 683 C LEU B 26 -1.546 0.572 -8.532 1.00 0.00 C ATOM 684 O LEU B 26 -2.144 0.929 -9.545 1.00 0.00 O ATOM 685 CB LEU B 26 -2.830 1.555 -6.635 1.00 0.00 C ATOM 686 CG LEU B 26 -2.919 2.526 -5.462 1.00 0.00 C ATOM 687 CD1 LEU B 26 -4.147 2.246 -4.626 1.00 0.00 C ATOM 688 CD2 LEU B 26 -1.692 2.452 -4.590 1.00 0.00 C ATOM 0 H LEU B 26 -1.722 3.447 -8.015 1.00 0.00 H new ATOM 0 HA LEU B 26 -0.746 1.068 -6.611 1.00 0.00 H new ATOM 0 HB2 LEU B 26 -3.575 1.839 -7.378 1.00 0.00 H new ATOM 0 HB3 LEU B 26 -3.096 0.559 -6.282 1.00 0.00 H new ATOM 0 HG LEU B 26 -2.988 3.530 -5.880 1.00 0.00 H new ATOM 0 HD11 LEU B 26 -4.190 2.950 -3.795 1.00 0.00 H new ATOM 0 HD12 LEU B 26 -5.039 2.356 -5.242 1.00 0.00 H new ATOM 0 HD13 LEU B 26 -4.098 1.229 -4.237 1.00 0.00 H new ATOM 0 HD21 LEU B 26 -1.789 3.157 -3.764 1.00 0.00 H new ATOM 0 HD22 LEU B 26 -1.587 1.442 -4.194 1.00 0.00 H new ATOM 0 HD23 LEU B 26 -0.811 2.704 -5.180 1.00 0.00 H new ATOM 700 N MET B 27 -0.938 -0.597 -8.422 1.00 0.00 N ATOM 701 CA MET B 27 -0.935 -1.573 -9.497 1.00 0.00 C ATOM 702 C MET B 27 -1.868 -2.724 -9.150 1.00 0.00 C ATOM 703 O MET B 27 -2.269 -2.865 -7.997 1.00 0.00 O ATOM 704 CB MET B 27 0.482 -2.083 -9.759 1.00 0.00 C ATOM 705 CG MET B 27 1.388 -1.016 -10.345 1.00 0.00 C ATOM 706 SD MET B 27 3.116 -1.218 -9.888 1.00 0.00 S ATOM 707 CE MET B 27 3.798 0.287 -10.577 1.00 0.00 C ATOM 0 H MET B 27 -0.434 -0.895 -7.587 1.00 0.00 H new ATOM 0 HA MET B 27 -1.292 -1.095 -10.409 1.00 0.00 H new ATOM 0 HB2 MET B 27 0.912 -2.446 -8.825 1.00 0.00 H new ATOM 0 HB3 MET B 27 0.438 -2.932 -10.441 1.00 0.00 H new ATOM 0 HG2 MET B 27 1.303 -1.034 -11.432 1.00 0.00 H new ATOM 0 HG3 MET B 27 1.044 -0.036 -10.014 1.00 0.00 H new ATOM 0 HE1 MET B 27 4.870 0.323 -10.382 1.00 0.00 H new ATOM 0 HE2 MET B 27 3.624 0.306 -11.653 1.00 0.00 H new ATOM 0 HE3 MET B 27 3.316 1.149 -10.116 1.00 0.00 H new ATOM 717 N ALA B 28 -2.160 -3.565 -10.129 1.00 0.00 N ATOM 718 CA ALA B 28 -3.094 -4.677 -9.955 1.00 0.00 C ATOM 719 C ALA B 28 -2.734 -5.603 -8.790 1.00 0.00 C ATOM 720 O ALA B 28 -3.620 -6.097 -8.099 1.00 0.00 O ATOM 721 CB ALA B 28 -3.216 -5.464 -11.250 1.00 0.00 C ATOM 0 H ALA B 28 -1.760 -3.501 -11.065 1.00 0.00 H new ATOM 0 HA ALA B 28 -4.058 -4.237 -9.700 1.00 0.00 H new ATOM 0 HB1 ALA B 28 -3.914 -6.290 -11.110 1.00 0.00 H new ATOM 0 HB2 ALA B 28 -3.583 -4.809 -12.040 1.00 0.00 H new ATOM 0 HB3 ALA B 28 -2.239 -5.858 -11.530 1.00 0.00 H new ATOM 727 N GLU B 29 -1.448 -5.842 -8.562 1.00 0.00 N ATOM 728 CA GLU B 29 -1.040 -6.723 -7.468 1.00 0.00 C ATOM 729 C GLU B 29 -0.124 -6.031 -6.465 1.00 0.00 C ATOM 730 O GLU B 29 0.339 -6.669 -5.514 1.00 0.00 O ATOM 731 CB GLU B 29 -0.315 -7.956 -8.005 1.00 0.00 C ATOM 732 CG GLU B 29 -1.226 -9.059 -8.509 1.00 0.00 C ATOM 733 CD GLU B 29 -0.442 -10.243 -9.032 1.00 0.00 C ATOM 734 OE1 GLU B 29 0.647 -10.030 -9.615 1.00 0.00 O ATOM 735 OE2 GLU B 29 -0.901 -11.389 -8.869 1.00 0.00 O ATOM 0 H GLU B 29 -0.681 -5.448 -9.107 1.00 0.00 H new ATOM 0 HA GLU B 29 -1.960 -7.011 -6.958 1.00 0.00 H new ATOM 0 HB2 GLU B 29 0.344 -7.648 -8.817 1.00 0.00 H new ATOM 0 HB3 GLU B 29 0.319 -8.360 -7.216 1.00 0.00 H new ATOM 0 HG2 GLU B 29 -1.882 -9.386 -7.702 1.00 0.00 H new ATOM 0 HG3 GLU B 29 -1.865 -8.669 -9.301 1.00 0.00 H new ATOM 742 N ARG B 30 0.126 -4.739 -6.626 1.00 0.00 N ATOM 743 CA ARG B 30 1.037 -4.067 -5.703 1.00 0.00 C ATOM 744 C ARG B 30 0.822 -2.566 -5.658 1.00 0.00 C ATOM 745 O ARG B 30 0.306 -1.970 -6.591 1.00 0.00 O ATOM 746 CB ARG B 30 2.497 -4.358 -6.078 1.00 0.00 C ATOM 747 CG ARG B 30 2.950 -3.700 -7.374 1.00 0.00 C ATOM 748 CD ARG B 30 4.458 -3.499 -7.399 1.00 0.00 C ATOM 749 NE ARG B 30 5.086 -4.150 -8.550 1.00 0.00 N ATOM 750 CZ ARG B 30 6.373 -4.489 -8.603 1.00 0.00 C ATOM 751 NH1 ARG B 30 7.189 -4.177 -7.599 1.00 0.00 N ATOM 752 NH2 ARG B 30 6.854 -5.120 -9.669 1.00 0.00 N ATOM 0 H ARG B 30 -0.271 -4.150 -7.358 1.00 0.00 H new ATOM 0 HA ARG B 30 0.820 -4.465 -4.712 1.00 0.00 H new ATOM 0 HB2 ARG B 30 3.143 -4.021 -5.267 1.00 0.00 H new ATOM 0 HB3 ARG B 30 2.630 -5.436 -6.165 1.00 0.00 H new ATOM 0 HG2 ARG B 30 2.650 -4.317 -8.221 1.00 0.00 H new ATOM 0 HG3 ARG B 30 2.451 -2.737 -7.488 1.00 0.00 H new ATOM 0 HD2 ARG B 30 4.680 -2.432 -7.422 1.00 0.00 H new ATOM 0 HD3 ARG B 30 4.890 -3.895 -6.480 1.00 0.00 H new ATOM 0 HE ARG B 30 4.503 -4.357 -9.361 1.00 0.00 H new ATOM 0 HH11 ARG B 30 6.829 -3.677 -6.786 1.00 0.00 H new ATOM 0 HH12 ARG B 30 8.174 -4.438 -7.642 1.00 0.00 H new ATOM 0 HH21 ARG B 30 6.237 -5.346 -10.449 1.00 0.00 H new ATOM 0 HH22 ARG B 30 7.840 -5.378 -9.707 1.00 0.00 H new ATOM 766 N ILE B 31 1.233 -1.973 -4.555 1.00 0.00 N ATOM 767 CA ILE B 31 1.134 -0.540 -4.360 1.00 0.00 C ATOM 768 C ILE B 31 2.536 0.056 -4.415 1.00 0.00 C ATOM 769 O ILE B 31 3.420 -0.336 -3.647 1.00 0.00 O ATOM 770 CB ILE B 31 0.451 -0.186 -3.012 1.00 0.00 C ATOM 771 CG1 ILE B 31 0.841 1.226 -2.561 1.00 0.00 C ATOM 772 CG2 ILE B 31 0.796 -1.212 -1.939 1.00 0.00 C ATOM 773 CD1 ILE B 31 0.023 1.742 -1.398 1.00 0.00 C ATOM 0 H ILE B 31 1.646 -2.472 -3.767 1.00 0.00 H new ATOM 0 HA ILE B 31 0.513 -0.121 -5.151 1.00 0.00 H new ATOM 0 HB ILE B 31 -0.628 -0.209 -3.164 1.00 0.00 H new ATOM 0 HG12 ILE B 31 1.895 1.230 -2.283 1.00 0.00 H new ATOM 0 HG13 ILE B 31 0.731 1.910 -3.403 1.00 0.00 H new ATOM 0 HG21 ILE B 31 0.305 -0.940 -1.005 1.00 0.00 H new ATOM 0 HG22 ILE B 31 0.455 -2.198 -2.255 1.00 0.00 H new ATOM 0 HG23 ILE B 31 1.875 -1.233 -1.789 1.00 0.00 H new ATOM 0 HD11 ILE B 31 0.357 2.746 -1.136 1.00 0.00 H new ATOM 0 HD12 ILE B 31 -1.030 1.771 -1.678 1.00 0.00 H new ATOM 0 HD13 ILE B 31 0.152 1.081 -0.541 1.00 0.00 H new ATOM 785 N ALA B 32 2.750 0.969 -5.346 1.00 0.00 N ATOM 786 CA ALA B 32 4.045 1.602 -5.503 1.00 0.00 C ATOM 787 C ALA B 32 3.925 3.106 -5.337 1.00 0.00 C ATOM 788 O ALA B 32 2.879 3.685 -5.603 1.00 0.00 O ATOM 789 CB ALA B 32 4.642 1.263 -6.860 1.00 0.00 C ATOM 0 H ALA B 32 2.041 1.288 -6.006 1.00 0.00 H new ATOM 0 HA ALA B 32 4.711 1.221 -4.728 1.00 0.00 H new ATOM 0 HB1 ALA B 32 5.614 1.746 -6.961 1.00 0.00 H new ATOM 0 HB2 ALA B 32 4.763 0.183 -6.945 1.00 0.00 H new ATOM 0 HB3 ALA B 32 3.977 1.616 -7.648 1.00 0.00 H new ATOM 795 N TRP B 33 4.980 3.732 -4.866 1.00 0.00 N ATOM 796 CA TRP B 33 4.987 5.171 -4.681 1.00 0.00 C ATOM 797 C TRP B 33 6.390 5.710 -4.929 1.00 0.00 C ATOM 798 O TRP B 33 7.380 5.122 -4.485 1.00 0.00 O ATOM 799 CB TRP B 33 4.456 5.521 -3.279 1.00 0.00 C ATOM 800 CG TRP B 33 4.662 6.946 -2.852 1.00 0.00 C ATOM 801 CD1 TRP B 33 3.753 7.953 -2.946 1.00 0.00 C ATOM 802 CD2 TRP B 33 5.831 7.518 -2.247 1.00 0.00 C ATOM 803 NE1 TRP B 33 4.279 9.117 -2.457 1.00 0.00 N ATOM 804 CE2 TRP B 33 5.554 8.879 -2.020 1.00 0.00 C ATOM 805 CE3 TRP B 33 7.083 7.019 -1.880 1.00 0.00 C ATOM 806 CZ2 TRP B 33 6.479 9.741 -1.443 1.00 0.00 C ATOM 807 CZ3 TRP B 33 8.001 7.877 -1.307 1.00 0.00 C ATOM 808 CH2 TRP B 33 7.695 9.225 -1.095 1.00 0.00 C ATOM 0 H TRP B 33 5.849 3.268 -4.602 1.00 0.00 H new ATOM 0 HA TRP B 33 4.323 5.648 -5.402 1.00 0.00 H new ATOM 0 HB2 TRP B 33 3.389 5.300 -3.247 1.00 0.00 H new ATOM 0 HB3 TRP B 33 4.939 4.868 -2.552 1.00 0.00 H new ATOM 0 HD1 TRP B 33 2.757 7.848 -3.350 1.00 0.00 H new ATOM 0 HE1 TRP B 33 3.799 10.016 -2.423 1.00 0.00 H new ATOM 0 HE3 TRP B 33 7.329 5.980 -2.042 1.00 0.00 H new ATOM 0 HZ2 TRP B 33 6.245 10.782 -1.276 1.00 0.00 H new ATOM 0 HZ3 TRP B 33 8.971 7.501 -1.018 1.00 0.00 H new ATOM 0 HH2 TRP B 33 8.435 9.871 -0.647 1.00 0.00 H new ATOM 819 N ALA B 34 6.470 6.807 -5.666 1.00 0.00 N ATOM 820 CA ALA B 34 7.745 7.423 -5.988 1.00 0.00 C ATOM 821 C ALA B 34 7.755 8.872 -5.534 1.00 0.00 C ATOM 822 O ALA B 34 6.793 9.602 -5.762 1.00 0.00 O ATOM 823 CB ALA B 34 8.016 7.337 -7.483 1.00 0.00 C ATOM 0 H ALA B 34 5.660 7.291 -6.054 1.00 0.00 H new ATOM 0 HA ALA B 34 8.534 6.884 -5.463 1.00 0.00 H new ATOM 0 HB1 ALA B 34 8.975 7.803 -7.706 1.00 0.00 H new ATOM 0 HB2 ALA B 34 8.041 6.291 -7.789 1.00 0.00 H new ATOM 0 HB3 ALA B 34 7.226 7.855 -8.026 1.00 0.00 H new ATOM 829 N PRO B 35 8.838 9.308 -4.883 1.00 0.00 N ATOM 830 CA PRO B 35 8.958 10.677 -4.401 1.00 0.00 C ATOM 831 C PRO B 35 9.177 11.658 -5.547 1.00 0.00 C ATOM 832 O PRO B 35 9.847 11.343 -6.532 1.00 0.00 O ATOM 833 CB PRO B 35 10.181 10.645 -3.474 1.00 0.00 C ATOM 834 CG PRO B 35 10.583 9.211 -3.364 1.00 0.00 C ATOM 835 CD PRO B 35 10.030 8.516 -4.573 1.00 0.00 C ATOM 0 HA PRO B 35 8.052 11.012 -3.896 1.00 0.00 H new ATOM 0 HB2 PRO B 35 10.994 11.247 -3.881 1.00 0.00 H new ATOM 0 HB3 PRO B 35 9.938 11.057 -2.495 1.00 0.00 H new ATOM 0 HG2 PRO B 35 11.668 9.115 -3.324 1.00 0.00 H new ATOM 0 HG3 PRO B 35 10.190 8.768 -2.449 1.00 0.00 H new ATOM 0 HD2 PRO B 35 10.741 8.514 -5.399 1.00 0.00 H new ATOM 0 HD3 PRO B 35 9.782 7.476 -4.364 1.00 0.00 H new ATOM 843 N GLU B 36 8.616 12.850 -5.410 1.00 0.00 N ATOM 844 CA GLU B 36 8.741 13.872 -6.434 1.00 0.00 C ATOM 845 C GLU B 36 10.193 14.304 -6.587 1.00 0.00 C ATOM 846 O GLU B 36 10.877 14.608 -5.603 1.00 0.00 O ATOM 847 CB GLU B 36 7.851 15.072 -6.105 1.00 0.00 C ATOM 848 CG GLU B 36 6.415 14.900 -6.577 1.00 0.00 C ATOM 849 CD GLU B 36 5.532 16.070 -6.196 1.00 0.00 C ATOM 850 OE1 GLU B 36 6.007 17.224 -6.259 1.00 0.00 O ATOM 851 OE2 GLU B 36 4.360 15.846 -5.819 1.00 0.00 O ATOM 0 H GLU B 36 8.069 13.132 -4.597 1.00 0.00 H new ATOM 0 HA GLU B 36 8.410 13.450 -7.383 1.00 0.00 H new ATOM 0 HB2 GLU B 36 7.855 15.235 -5.027 1.00 0.00 H new ATOM 0 HB3 GLU B 36 8.273 15.966 -6.564 1.00 0.00 H new ATOM 0 HG2 GLU B 36 6.405 14.780 -7.660 1.00 0.00 H new ATOM 0 HG3 GLU B 36 6.004 13.985 -6.151 1.00 0.00 H new ATOM 858 N GLY B 37 10.663 14.297 -7.825 1.00 0.00 N ATOM 859 CA GLY B 37 12.031 14.680 -8.105 1.00 0.00 C ATOM 860 C GLY B 37 12.957 13.482 -8.161 1.00 0.00 C ATOM 861 O GLY B 37 14.162 13.634 -8.341 1.00 0.00 O ATOM 0 H GLY B 37 10.118 14.031 -8.645 1.00 0.00 H new ATOM 0 HA2 GLY B 37 12.071 15.213 -9.055 1.00 0.00 H new ATOM 0 HA3 GLY B 37 12.378 15.371 -7.337 1.00 0.00 H new ATOM 865 N LYS B 38 12.398 12.292 -7.981 1.00 0.00 N ATOM 866 CA LYS B 38 13.184 11.066 -8.020 1.00 0.00 C ATOM 867 C LYS B 38 12.789 10.222 -9.226 1.00 0.00 C ATOM 868 O LYS B 38 11.650 10.285 -9.690 1.00 0.00 O ATOM 869 CB LYS B 38 13.022 10.270 -6.719 1.00 0.00 C ATOM 870 CG LYS B 38 13.689 10.928 -5.517 1.00 0.00 C ATOM 871 CD LYS B 38 12.817 12.027 -4.930 1.00 0.00 C ATOM 872 CE LYS B 38 13.624 13.039 -4.137 1.00 0.00 C ATOM 873 NZ LYS B 38 12.761 14.131 -3.606 1.00 0.00 N ATOM 0 H LYS B 38 11.403 12.150 -7.807 1.00 0.00 H new ATOM 0 HA LYS B 38 14.236 11.335 -8.117 1.00 0.00 H new ATOM 0 HB2 LYS B 38 11.960 10.142 -6.510 1.00 0.00 H new ATOM 0 HB3 LYS B 38 13.442 9.274 -6.857 1.00 0.00 H new ATOM 0 HG2 LYS B 38 13.891 10.176 -4.754 1.00 0.00 H new ATOM 0 HG3 LYS B 38 14.651 11.345 -5.816 1.00 0.00 H new ATOM 0 HD2 LYS B 38 12.288 12.537 -5.735 1.00 0.00 H new ATOM 0 HD3 LYS B 38 12.061 11.582 -4.284 1.00 0.00 H new ATOM 0 HE2 LYS B 38 14.127 12.537 -3.311 1.00 0.00 H new ATOM 0 HE3 LYS B 38 14.401 13.464 -4.772 1.00 0.00 H new ATOM 0 HZ1 LYS B 38 13.335 14.985 -3.454 1.00 0.00 H new ATOM 0 HZ2 LYS B 38 12.005 14.340 -4.289 1.00 0.00 H new ATOM 0 HZ3 LYS B 38 12.339 13.832 -2.704 1.00 0.00 H new ATOM 887 N ASP B 39 13.734 9.437 -9.720 1.00 0.00 N ATOM 888 CA ASP B 39 13.519 8.591 -10.891 1.00 0.00 C ATOM 889 C ASP B 39 13.241 7.140 -10.502 1.00 0.00 C ATOM 890 O ASP B 39 13.173 6.262 -11.361 1.00 0.00 O ATOM 891 CB ASP B 39 14.759 8.638 -11.792 1.00 0.00 C ATOM 892 CG ASP B 39 15.965 7.970 -11.149 1.00 0.00 C ATOM 893 OD1 ASP B 39 16.747 7.314 -11.868 1.00 0.00 O ATOM 894 OD2 ASP B 39 16.132 8.089 -9.913 1.00 0.00 O ATOM 0 H ASP B 39 14.671 9.366 -9.324 1.00 0.00 H new ATOM 0 HA ASP B 39 12.646 8.974 -11.420 1.00 0.00 H new ATOM 0 HB2 ASP B 39 14.536 8.147 -12.739 1.00 0.00 H new ATOM 0 HB3 ASP B 39 15.000 9.676 -12.021 1.00 0.00 H new ATOM 899 N ARG B 40 13.069 6.885 -9.215 1.00 0.00 N ATOM 900 CA ARG B 40 12.828 5.525 -8.755 1.00 0.00 C ATOM 901 C ARG B 40 11.765 5.469 -7.667 1.00 0.00 C ATOM 902 O ARG B 40 11.576 6.424 -6.911 1.00 0.00 O ATOM 903 CB ARG B 40 14.134 4.902 -8.253 1.00 0.00 C ATOM 904 CG ARG B 40 14.906 5.783 -7.283 1.00 0.00 C ATOM 905 CD ARG B 40 16.405 5.554 -7.402 1.00 0.00 C ATOM 906 NE ARG B 40 16.897 5.860 -8.744 1.00 0.00 N ATOM 907 CZ ARG B 40 17.807 5.142 -9.398 1.00 0.00 C ATOM 908 NH1 ARG B 40 18.378 4.090 -8.818 1.00 0.00 N ATOM 909 NH2 ARG B 40 18.145 5.480 -10.636 1.00 0.00 N ATOM 0 H ARG B 40 13.091 7.590 -8.478 1.00 0.00 H new ATOM 0 HA ARG B 40 12.454 4.952 -9.604 1.00 0.00 H new ATOM 0 HB2 ARG B 40 13.908 3.953 -7.766 1.00 0.00 H new ATOM 0 HB3 ARG B 40 14.770 4.677 -9.109 1.00 0.00 H new ATOM 0 HG2 ARG B 40 14.679 6.831 -7.480 1.00 0.00 H new ATOM 0 HG3 ARG B 40 14.584 5.574 -6.263 1.00 0.00 H new ATOM 0 HD2 ARG B 40 16.926 6.175 -6.674 1.00 0.00 H new ATOM 0 HD3 ARG B 40 16.634 4.517 -7.159 1.00 0.00 H new ATOM 0 HE ARG B 40 16.516 6.682 -9.212 1.00 0.00 H new ATOM 0 HH11 ARG B 40 18.119 3.829 -7.866 1.00 0.00 H new ATOM 0 HH12 ARG B 40 19.075 3.544 -9.325 1.00 0.00 H new ATOM 0 HH21 ARG B 40 17.708 6.287 -11.082 1.00 0.00 H new ATOM 0 HH22 ARG B 40 18.842 4.933 -11.142 1.00 0.00 H new ATOM 923 N PHE B 41 11.075 4.337 -7.603 1.00 0.00 N ATOM 924 CA PHE B 41 10.033 4.116 -6.611 1.00 0.00 C ATOM 925 C PHE B 41 10.655 3.589 -5.327 1.00 0.00 C ATOM 926 O PHE B 41 11.314 2.552 -5.335 1.00 0.00 O ATOM 927 CB PHE B 41 8.998 3.104 -7.123 1.00 0.00 C ATOM 928 CG PHE B 41 8.310 3.507 -8.398 1.00 0.00 C ATOM 929 CD1 PHE B 41 7.046 4.072 -8.367 1.00 0.00 C ATOM 930 CD2 PHE B 41 8.921 3.311 -9.627 1.00 0.00 C ATOM 931 CE1 PHE B 41 6.406 4.437 -9.537 1.00 0.00 C ATOM 932 CE2 PHE B 41 8.288 3.675 -10.798 1.00 0.00 C ATOM 933 CZ PHE B 41 7.028 4.237 -10.753 1.00 0.00 C ATOM 0 H PHE B 41 11.222 3.550 -8.235 1.00 0.00 H new ATOM 0 HA PHE B 41 9.532 5.065 -6.421 1.00 0.00 H new ATOM 0 HB2 PHE B 41 9.492 2.145 -7.279 1.00 0.00 H new ATOM 0 HB3 PHE B 41 8.244 2.952 -6.351 1.00 0.00 H new ATOM 0 HD1 PHE B 41 6.555 4.229 -7.418 1.00 0.00 H new ATOM 0 HD2 PHE B 41 9.905 2.868 -9.668 1.00 0.00 H new ATOM 0 HE1 PHE B 41 5.421 4.878 -9.500 1.00 0.00 H new ATOM 0 HE2 PHE B 41 8.778 3.520 -11.748 1.00 0.00 H new ATOM 0 HZ PHE B 41 6.529 4.520 -11.668 1.00 0.00 H new ATOM 943 N THR B 42 10.458 4.303 -4.235 1.00 0.00 N ATOM 944 CA THR B 42 11.000 3.885 -2.955 1.00 0.00 C ATOM 945 C THR B 42 10.000 3.009 -2.212 1.00 0.00 C ATOM 946 O THR B 42 10.348 2.307 -1.265 1.00 0.00 O ATOM 947 CB THR B 42 11.365 5.102 -2.090 1.00 0.00 C ATOM 948 OG1 THR B 42 10.486 6.191 -2.400 1.00 0.00 O ATOM 949 CG2 THR B 42 12.807 5.522 -2.329 1.00 0.00 C ATOM 0 H THR B 42 9.928 5.174 -4.208 1.00 0.00 H new ATOM 0 HA THR B 42 11.905 3.309 -3.148 1.00 0.00 H new ATOM 0 HB THR B 42 11.256 4.828 -1.041 1.00 0.00 H new ATOM 0 HG1 THR B 42 9.616 6.041 -1.974 1.00 0.00 H new ATOM 0 HG21 THR B 42 13.043 6.385 -1.706 1.00 0.00 H new ATOM 0 HG22 THR B 42 13.473 4.698 -2.074 1.00 0.00 H new ATOM 0 HG23 THR B 42 12.940 5.785 -3.378 1.00 0.00 H new ATOM 957 N ILE B 43 8.753 3.054 -2.660 1.00 0.00 N ATOM 958 CA ILE B 43 7.693 2.273 -2.049 1.00 0.00 C ATOM 959 C ILE B 43 7.183 1.211 -3.011 1.00 0.00 C ATOM 960 O ILE B 43 6.710 1.526 -4.104 1.00 0.00 O ATOM 961 CB ILE B 43 6.521 3.176 -1.603 1.00 0.00 C ATOM 962 CG1 ILE B 43 6.921 3.998 -0.375 1.00 0.00 C ATOM 963 CG2 ILE B 43 5.270 2.355 -1.311 1.00 0.00 C ATOM 964 CD1 ILE B 43 7.331 3.159 0.815 1.00 0.00 C ATOM 0 H ILE B 43 8.452 3.627 -3.449 1.00 0.00 H new ATOM 0 HA ILE B 43 8.111 1.785 -1.169 1.00 0.00 H new ATOM 0 HB ILE B 43 6.290 3.857 -2.422 1.00 0.00 H new ATOM 0 HG12 ILE B 43 7.746 4.658 -0.644 1.00 0.00 H new ATOM 0 HG13 ILE B 43 6.084 4.635 -0.088 1.00 0.00 H new ATOM 0 HG21 ILE B 43 4.464 3.019 -1.000 1.00 0.00 H new ATOM 0 HG22 ILE B 43 4.970 1.817 -2.210 1.00 0.00 H new ATOM 0 HG23 ILE B 43 5.481 1.642 -0.514 1.00 0.00 H new ATOM 0 HD11 ILE B 43 7.600 3.812 1.645 1.00 0.00 H new ATOM 0 HD12 ILE B 43 6.501 2.518 1.112 1.00 0.00 H new ATOM 0 HD13 ILE B 43 8.188 2.541 0.547 1.00 0.00 H new ATOM 976 N SER B 44 7.320 -0.041 -2.612 1.00 0.00 N ATOM 977 CA SER B 44 6.854 -1.160 -3.408 1.00 0.00 C ATOM 978 C SER B 44 6.411 -2.285 -2.484 1.00 0.00 C ATOM 979 O SER B 44 7.239 -3.018 -1.945 1.00 0.00 O ATOM 980 CB SER B 44 7.958 -1.644 -4.358 1.00 0.00 C ATOM 981 OG SER B 44 7.591 -2.852 -5.010 1.00 0.00 O ATOM 0 H SER B 44 7.756 -0.309 -1.730 1.00 0.00 H new ATOM 0 HA SER B 44 6.007 -0.840 -4.015 1.00 0.00 H new ATOM 0 HB2 SER B 44 8.162 -0.875 -5.103 1.00 0.00 H new ATOM 0 HB3 SER B 44 8.880 -1.797 -3.798 1.00 0.00 H new ATOM 0 HG SER B 44 8.368 -3.218 -5.483 1.00 0.00 H new ATOM 987 N HIS B 45 5.109 -2.410 -2.295 1.00 0.00 N ATOM 988 CA HIS B 45 4.563 -3.448 -1.432 1.00 0.00 C ATOM 989 C HIS B 45 3.496 -4.224 -2.177 1.00 0.00 C ATOM 990 O HIS B 45 2.691 -3.641 -2.903 1.00 0.00 O ATOM 991 CB HIS B 45 3.945 -2.848 -0.160 1.00 0.00 C ATOM 992 CG HIS B 45 4.818 -1.860 0.555 1.00 0.00 C ATOM 993 ND1 HIS B 45 5.760 -2.202 1.501 1.00 0.00 N ATOM 994 CD2 HIS B 45 4.875 -0.510 0.441 1.00 0.00 C ATOM 995 CE1 HIS B 45 6.347 -1.075 1.921 1.00 0.00 C ATOM 996 NE2 HIS B 45 5.848 -0.020 1.307 1.00 0.00 N ATOM 0 H HIS B 45 4.409 -1.807 -2.726 1.00 0.00 H new ATOM 0 HA HIS B 45 5.381 -4.109 -1.145 1.00 0.00 H new ATOM 0 HB2 HIS B 45 3.007 -2.359 -0.424 1.00 0.00 H new ATOM 0 HB3 HIS B 45 3.700 -3.659 0.526 1.00 0.00 H new ATOM 0 HD1 HIS B 45 5.972 -3.146 1.824 1.00 0.00 H new ATOM 0 HD2 HIS B 45 4.263 0.089 -0.217 1.00 0.00 H new ATOM 0 HE1 HIS B 45 7.128 -1.035 2.666 1.00 0.00 H new ATOM 1004 N MET B 46 3.490 -5.533 -2.014 1.00 0.00 N ATOM 1005 CA MET B 46 2.496 -6.362 -2.663 1.00 0.00 C ATOM 1006 C MET B 46 1.280 -6.462 -1.762 1.00 0.00 C ATOM 1007 O MET B 46 1.414 -6.503 -0.543 1.00 0.00 O ATOM 1008 CB MET B 46 3.050 -7.761 -2.953 1.00 0.00 C ATOM 1009 CG MET B 46 4.216 -7.778 -3.930 1.00 0.00 C ATOM 1010 SD MET B 46 3.692 -7.652 -5.654 1.00 0.00 S ATOM 1011 CE MET B 46 2.706 -9.140 -5.817 1.00 0.00 C ATOM 0 H MET B 46 4.161 -6.043 -1.439 1.00 0.00 H new ATOM 0 HA MET B 46 2.221 -5.908 -3.615 1.00 0.00 H new ATOM 0 HB2 MET B 46 3.369 -8.215 -2.015 1.00 0.00 H new ATOM 0 HB3 MET B 46 2.248 -8.382 -3.351 1.00 0.00 H new ATOM 0 HG2 MET B 46 4.889 -6.952 -3.699 1.00 0.00 H new ATOM 0 HG3 MET B 46 4.783 -8.699 -3.795 1.00 0.00 H new ATOM 0 HE1 MET B 46 2.682 -9.448 -6.862 1.00 0.00 H new ATOM 0 HE2 MET B 46 3.145 -9.935 -5.214 1.00 0.00 H new ATOM 0 HE3 MET B 46 1.690 -8.943 -5.474 1.00 0.00 H new ATOM 1021 N TYR B 47 0.096 -6.488 -2.356 1.00 0.00 N ATOM 1022 CA TYR B 47 -1.149 -6.591 -1.593 1.00 0.00 C ATOM 1023 C TYR B 47 -1.162 -7.877 -0.772 1.00 0.00 C ATOM 1024 O TYR B 47 -1.861 -7.981 0.231 1.00 0.00 O ATOM 1025 CB TYR B 47 -2.339 -6.559 -2.549 1.00 0.00 C ATOM 1026 CG TYR B 47 -2.431 -5.277 -3.345 1.00 0.00 C ATOM 1027 CD1 TYR B 47 -2.934 -5.274 -4.635 1.00 0.00 C ATOM 1028 CD2 TYR B 47 -2.004 -4.070 -2.805 1.00 0.00 C ATOM 1029 CE1 TYR B 47 -3.012 -4.108 -5.364 1.00 0.00 C ATOM 1030 CE2 TYR B 47 -2.081 -2.898 -3.529 1.00 0.00 C ATOM 1031 CZ TYR B 47 -2.585 -2.923 -4.807 1.00 0.00 C ATOM 1032 OH TYR B 47 -2.661 -1.760 -5.535 1.00 0.00 O ATOM 0 H TYR B 47 -0.034 -6.439 -3.367 1.00 0.00 H new ATOM 0 HA TYR B 47 -1.219 -5.746 -0.908 1.00 0.00 H new ATOM 0 HB2 TYR B 47 -2.267 -7.401 -3.237 1.00 0.00 H new ATOM 0 HB3 TYR B 47 -3.258 -6.691 -1.979 1.00 0.00 H new ATOM 0 HD1 TYR B 47 -3.270 -6.200 -5.076 1.00 0.00 H new ATOM 0 HD2 TYR B 47 -1.605 -4.049 -1.802 1.00 0.00 H new ATOM 0 HE1 TYR B 47 -3.407 -4.123 -6.369 1.00 0.00 H new ATOM 0 HE2 TYR B 47 -1.747 -1.967 -3.094 1.00 0.00 H new ATOM 0 HH TYR B 47 -2.533 -1.960 -6.486 1.00 0.00 H new ATOM 1042 N ALA B 48 -0.352 -8.840 -1.196 1.00 0.00 N ATOM 1043 CA ALA B 48 -0.254 -10.122 -0.517 1.00 0.00 C ATOM 1044 C ALA B 48 0.522 -10.003 0.794 1.00 0.00 C ATOM 1045 O ALA B 48 0.468 -10.904 1.621 1.00 0.00 O ATOM 1046 CB ALA B 48 0.400 -11.147 -1.431 1.00 0.00 C ATOM 0 H ALA B 48 0.250 -8.753 -2.014 1.00 0.00 H new ATOM 0 HA ALA B 48 -1.263 -10.453 -0.274 1.00 0.00 H new ATOM 0 HB1 ALA B 48 0.469 -12.104 -0.914 1.00 0.00 H new ATOM 0 HB2 ALA B 48 -0.200 -11.265 -2.334 1.00 0.00 H new ATOM 0 HB3 ALA B 48 1.400 -10.808 -1.701 1.00 0.00 H new ATOM 1052 N ASP B 49 1.242 -8.889 0.965 1.00 0.00 N ATOM 1053 CA ASP B 49 2.018 -8.639 2.173 1.00 0.00 C ATOM 1054 C ASP B 49 1.284 -7.638 3.050 1.00 0.00 C ATOM 1055 O ASP B 49 1.653 -7.406 4.206 1.00 0.00 O ATOM 1056 CB ASP B 49 3.390 -8.051 1.870 1.00 0.00 C ATOM 1057 CG ASP B 49 3.981 -8.459 0.531 1.00 0.00 C ATOM 1058 OD1 ASP B 49 4.425 -7.551 -0.216 1.00 0.00 O ATOM 1059 OD2 ASP B 49 4.009 -9.667 0.221 1.00 0.00 O ATOM 0 H ASP B 49 1.300 -8.143 0.272 1.00 0.00 H new ATOM 0 HA ASP B 49 2.144 -9.601 2.670 1.00 0.00 H new ATOM 0 HB2 ASP B 49 3.318 -6.964 1.903 1.00 0.00 H new ATOM 0 HB3 ASP B 49 4.079 -8.349 2.660 1.00 0.00 H new ATOM 1064 N ILE B 50 0.248 -7.035 2.497 1.00 0.00 N ATOM 1065 CA ILE B 50 -0.537 -6.071 3.240 1.00 0.00 C ATOM 1066 C ILE B 50 -1.662 -6.822 3.938 1.00 0.00 C ATOM 1067 O ILE B 50 -2.407 -7.559 3.296 1.00 0.00 O ATOM 1068 CB ILE B 50 -1.158 -4.983 2.335 1.00 0.00 C ATOM 1069 CG1 ILE B 50 -0.246 -4.645 1.147 1.00 0.00 C ATOM 1070 CG2 ILE B 50 -1.462 -3.734 3.147 1.00 0.00 C ATOM 1071 CD1 ILE B 50 0.925 -3.751 1.487 1.00 0.00 C ATOM 0 H ILE B 50 -0.067 -7.196 1.540 1.00 0.00 H new ATOM 0 HA ILE B 50 0.124 -5.569 3.946 1.00 0.00 H new ATOM 0 HB ILE B 50 -2.090 -5.378 1.930 1.00 0.00 H new ATOM 0 HG12 ILE B 50 0.134 -5.574 0.722 1.00 0.00 H new ATOM 0 HG13 ILE B 50 -0.843 -4.161 0.374 1.00 0.00 H new ATOM 0 HG21 ILE B 50 -1.899 -2.975 2.498 1.00 0.00 H new ATOM 0 HG22 ILE B 50 -2.165 -3.980 3.943 1.00 0.00 H new ATOM 0 HG23 ILE B 50 -0.540 -3.350 3.584 1.00 0.00 H new ATOM 0 HD11 ILE B 50 1.514 -3.565 0.589 1.00 0.00 H new ATOM 0 HD12 ILE B 50 0.557 -2.804 1.882 1.00 0.00 H new ATOM 0 HD13 ILE B 50 1.549 -4.238 2.236 1.00 0.00 H new ATOM 1083 N LYS B 51 -1.787 -6.657 5.238 1.00 0.00 N ATOM 1084 CA LYS B 51 -2.823 -7.355 5.976 1.00 0.00 C ATOM 1085 C LYS B 51 -4.113 -6.554 5.947 1.00 0.00 C ATOM 1086 O LYS B 51 -5.204 -7.105 5.810 1.00 0.00 O ATOM 1087 CB LYS B 51 -2.396 -7.592 7.419 1.00 0.00 C ATOM 1088 CG LYS B 51 -3.391 -8.427 8.199 1.00 0.00 C ATOM 1089 CD LYS B 51 -3.650 -7.832 9.565 1.00 0.00 C ATOM 1090 CE LYS B 51 -5.141 -7.747 9.856 1.00 0.00 C ATOM 1091 NZ LYS B 51 -5.922 -7.395 8.638 1.00 0.00 N ATOM 0 H LYS B 51 -1.191 -6.052 5.803 1.00 0.00 H new ATOM 0 HA LYS B 51 -2.987 -8.322 5.500 1.00 0.00 H new ATOM 0 HB2 LYS B 51 -1.426 -8.089 7.429 1.00 0.00 H new ATOM 0 HB3 LYS B 51 -2.267 -6.631 7.917 1.00 0.00 H new ATOM 0 HG2 LYS B 51 -4.327 -8.494 7.645 1.00 0.00 H new ATOM 0 HG3 LYS B 51 -3.011 -9.443 8.308 1.00 0.00 H new ATOM 0 HD2 LYS B 51 -3.162 -8.440 10.327 1.00 0.00 H new ATOM 0 HD3 LYS B 51 -3.209 -6.837 9.620 1.00 0.00 H new ATOM 0 HE2 LYS B 51 -5.490 -8.702 10.248 1.00 0.00 H new ATOM 0 HE3 LYS B 51 -5.318 -7.000 10.630 1.00 0.00 H new ATOM 0 HZ1 LYS B 51 -6.880 -7.099 8.914 1.00 0.00 H new ATOM 0 HZ2 LYS B 51 -5.450 -6.616 8.136 1.00 0.00 H new ATOM 0 HZ3 LYS B 51 -5.982 -8.224 8.013 1.00 0.00 H new ATOM 1105 N CYS B 52 -3.968 -5.251 6.097 1.00 0.00 N ATOM 1106 CA CYS B 52 -5.084 -4.336 6.106 1.00 0.00 C ATOM 1107 C CYS B 52 -4.591 -2.930 5.818 1.00 0.00 C ATOM 1108 O CYS B 52 -3.404 -2.726 5.570 1.00 0.00 O ATOM 1109 CB CYS B 52 -5.777 -4.391 7.461 1.00 0.00 C ATOM 1110 SG CYS B 52 -4.656 -4.490 8.871 1.00 0.00 S ATOM 0 H CYS B 52 -3.062 -4.798 6.217 1.00 0.00 H new ATOM 0 HA CYS B 52 -5.799 -4.621 5.334 1.00 0.00 H new ATOM 0 HB2 CYS B 52 -6.402 -3.505 7.571 1.00 0.00 H new ATOM 0 HB3 CYS B 52 -6.442 -5.255 7.480 1.00 0.00 H new ATOM 0 HG CYS B 52 -5.346 -4.529 9.972 1.00 0.00 H new ATOM 1116 N GLN B 53 -5.486 -1.963 5.834 1.00 0.00 N ATOM 1117 CA GLN B 53 -5.099 -0.592 5.576 1.00 0.00 C ATOM 1118 C GLN B 53 -5.953 0.375 6.392 1.00 0.00 C ATOM 1119 O GLN B 53 -7.152 0.159 6.563 1.00 0.00 O ATOM 1120 CB GLN B 53 -5.218 -0.272 4.085 1.00 0.00 C ATOM 1121 CG GLN B 53 -6.614 -0.487 3.520 1.00 0.00 C ATOM 1122 CD GLN B 53 -7.341 0.815 3.252 1.00 0.00 C ATOM 1123 OE1 GLN B 53 -8.540 0.927 3.479 1.00 0.00 O ATOM 1124 NE2 GLN B 53 -6.624 1.806 2.748 1.00 0.00 N ATOM 0 H GLN B 53 -6.479 -2.100 6.022 1.00 0.00 H new ATOM 0 HA GLN B 53 -4.058 -0.472 5.877 1.00 0.00 H new ATOM 0 HB2 GLN B 53 -4.926 0.765 3.921 1.00 0.00 H new ATOM 0 HB3 GLN B 53 -4.513 -0.893 3.532 1.00 0.00 H new ATOM 0 HG2 GLN B 53 -6.543 -1.057 2.593 1.00 0.00 H new ATOM 0 HG3 GLN B 53 -7.197 -1.087 4.219 1.00 0.00 H new ATOM 0 HE21 GLN B 53 -5.628 1.676 2.572 1.00 0.00 H new ATOM 0 HE22 GLN B 53 -7.068 2.700 2.535 1.00 0.00 H new ATOM 1133 N LYS B 54 -5.331 1.424 6.915 1.00 0.00 N ATOM 1134 CA LYS B 54 -6.056 2.427 7.679 1.00 0.00 C ATOM 1135 C LYS B 54 -6.224 3.679 6.846 1.00 0.00 C ATOM 1136 O LYS B 54 -5.454 3.923 5.915 1.00 0.00 O ATOM 1137 CB LYS B 54 -5.315 2.858 8.946 1.00 0.00 C ATOM 1138 CG LYS B 54 -5.280 1.873 10.089 1.00 0.00 C ATOM 1139 CD LYS B 54 -4.823 2.591 11.349 1.00 0.00 C ATOM 1140 CE LYS B 54 -4.680 1.676 12.552 1.00 0.00 C ATOM 1141 NZ LYS B 54 -4.045 0.376 12.199 1.00 0.00 N ATOM 0 H LYS B 54 -4.331 1.601 6.824 1.00 0.00 H new ATOM 0 HA LYS B 54 -7.008 1.969 7.949 1.00 0.00 H new ATOM 0 HB2 LYS B 54 -4.287 3.096 8.673 1.00 0.00 H new ATOM 0 HB3 LYS B 54 -5.770 3.780 9.307 1.00 0.00 H new ATOM 0 HG2 LYS B 54 -6.268 1.438 10.241 1.00 0.00 H new ATOM 0 HG3 LYS B 54 -4.602 1.052 9.857 1.00 0.00 H new ATOM 0 HD2 LYS B 54 -3.865 3.074 11.155 1.00 0.00 H new ATOM 0 HD3 LYS B 54 -5.536 3.380 11.586 1.00 0.00 H new ATOM 0 HE2 LYS B 54 -4.083 2.174 13.316 1.00 0.00 H new ATOM 0 HE3 LYS B 54 -5.663 1.492 12.985 1.00 0.00 H new ATOM 0 HZ1 LYS B 54 -3.737 -0.107 13.067 1.00 0.00 H new ATOM 0 HZ2 LYS B 54 -4.732 -0.221 11.696 1.00 0.00 H new ATOM 0 HZ3 LYS B 54 -3.222 0.547 11.587 1.00 0.00 H new ATOM 1155 N ILE B 55 -7.222 4.469 7.181 1.00 0.00 N ATOM 1156 CA ILE B 55 -7.441 5.732 6.512 1.00 0.00 C ATOM 1157 C ILE B 55 -7.654 6.791 7.588 1.00 0.00 C ATOM 1158 O ILE B 55 -8.448 6.596 8.509 1.00 0.00 O ATOM 1159 CB ILE B 55 -8.628 5.701 5.498 1.00 0.00 C ATOM 1160 CG1 ILE B 55 -9.965 6.094 6.134 1.00 0.00 C ATOM 1161 CG2 ILE B 55 -8.751 4.321 4.866 1.00 0.00 C ATOM 1162 CD1 ILE B 55 -10.890 6.812 5.170 1.00 0.00 C ATOM 0 H ILE B 55 -7.897 4.257 7.916 1.00 0.00 H new ATOM 0 HA ILE B 55 -6.566 5.964 5.905 1.00 0.00 H new ATOM 0 HB ILE B 55 -8.400 6.443 4.733 1.00 0.00 H new ATOM 0 HG12 ILE B 55 -10.461 5.198 6.506 1.00 0.00 H new ATOM 0 HG13 ILE B 55 -9.777 6.736 6.995 1.00 0.00 H new ATOM 0 HG21 ILE B 55 -9.583 4.316 4.162 1.00 0.00 H new ATOM 0 HG22 ILE B 55 -7.828 4.079 4.339 1.00 0.00 H new ATOM 0 HG23 ILE B 55 -8.930 3.579 5.644 1.00 0.00 H new ATOM 0 HD11 ILE B 55 -11.820 7.065 5.678 1.00 0.00 H new ATOM 0 HD12 ILE B 55 -10.410 7.725 4.817 1.00 0.00 H new ATOM 0 HD13 ILE B 55 -11.105 6.163 4.321 1.00 0.00 H new ATOM 1174 N SER B 56 -6.895 7.870 7.532 1.00 0.00 N ATOM 1175 CA SER B 56 -7.039 8.911 8.523 1.00 0.00 C ATOM 1176 C SER B 56 -8.061 9.914 8.023 1.00 0.00 C ATOM 1177 O SER B 56 -7.885 10.531 6.954 1.00 0.00 O ATOM 1178 CB SER B 56 -5.700 9.572 8.855 1.00 0.00 C ATOM 1179 OG SER B 56 -5.442 10.691 8.038 1.00 0.00 O ATOM 0 H SER B 56 -6.184 8.044 6.821 1.00 0.00 H new ATOM 0 HA SER B 56 -7.391 8.475 9.458 1.00 0.00 H new ATOM 0 HB2 SER B 56 -5.698 9.879 9.901 1.00 0.00 H new ATOM 0 HB3 SER B 56 -4.898 8.844 8.735 1.00 0.00 H new ATOM 0 HG SER B 56 -4.772 11.262 8.468 1.00 0.00 H new ATOM 1185 N PRO B 57 -9.145 10.045 8.800 1.00 0.00 N ATOM 1186 CA PRO B 57 -10.288 10.910 8.497 1.00 0.00 C ATOM 1187 C PRO B 57 -9.990 12.397 8.590 1.00 0.00 C ATOM 1188 O PRO B 57 -8.904 12.818 9.001 1.00 0.00 O ATOM 1189 CB PRO B 57 -11.309 10.524 9.571 1.00 0.00 C ATOM 1190 CG PRO B 57 -10.476 10.067 10.714 1.00 0.00 C ATOM 1191 CD PRO B 57 -9.320 9.353 10.089 1.00 0.00 C ATOM 0 HA PRO B 57 -10.617 10.765 7.468 1.00 0.00 H new ATOM 0 HB2 PRO B 57 -11.936 11.371 9.848 1.00 0.00 H new ATOM 0 HB3 PRO B 57 -11.975 9.735 9.223 1.00 0.00 H new ATOM 0 HG2 PRO B 57 -10.140 10.909 11.319 1.00 0.00 H new ATOM 0 HG3 PRO B 57 -11.039 9.406 11.373 1.00 0.00 H new ATOM 0 HD2 PRO B 57 -8.424 9.422 10.706 1.00 0.00 H new ATOM 0 HD3 PRO B 57 -9.531 8.293 9.950 1.00 0.00 H new ATOM 1199 N GLU B 58 -10.976 13.173 8.172 1.00 0.00 N ATOM 1200 CA GLU B 58 -10.907 14.618 8.203 1.00 0.00 C ATOM 1201 C GLU B 58 -10.728 15.110 9.638 1.00 0.00 C ATOM 1202 O GLU B 58 -11.028 14.399 10.599 1.00 0.00 O ATOM 1203 CB GLU B 58 -12.159 15.225 7.562 1.00 0.00 C ATOM 1204 CG GLU B 58 -12.167 15.146 6.036 1.00 0.00 C ATOM 1205 CD GLU B 58 -11.877 13.749 5.512 1.00 0.00 C ATOM 1206 OE1 GLU B 58 -12.626 12.814 5.865 1.00 0.00 O ATOM 1207 OE2 GLU B 58 -10.889 13.579 4.766 1.00 0.00 O ATOM 0 H GLU B 58 -11.853 12.811 7.799 1.00 0.00 H new ATOM 0 HA GLU B 58 -10.042 14.942 7.625 1.00 0.00 H new ATOM 0 HB2 GLU B 58 -13.040 14.712 7.948 1.00 0.00 H new ATOM 0 HB3 GLU B 58 -12.241 16.269 7.863 1.00 0.00 H new ATOM 0 HG2 GLU B 58 -13.139 15.472 5.666 1.00 0.00 H new ATOM 0 HG3 GLU B 58 -11.425 15.839 5.638 1.00 0.00 H new ATOM 1214 N GLY B 59 -10.269 16.337 9.768 1.00 0.00 N ATOM 1215 CA GLY B 59 -9.994 16.907 11.070 1.00 0.00 C ATOM 1216 C GLY B 59 -8.513 17.155 11.192 1.00 0.00 C ATOM 1217 O GLY B 59 -8.071 18.070 11.886 1.00 0.00 O ATOM 0 H GLY B 59 -10.078 16.961 8.984 1.00 0.00 H new ATOM 0 HA2 GLY B 59 -10.544 17.840 11.197 1.00 0.00 H new ATOM 0 HA3 GLY B 59 -10.329 16.230 11.856 1.00 0.00 H new ATOM 1221 N LYS B 60 -7.749 16.332 10.490 1.00 0.00 N ATOM 1222 CA LYS B 60 -6.313 16.489 10.420 1.00 0.00 C ATOM 1223 C LYS B 60 -6.029 17.408 9.252 1.00 0.00 C ATOM 1224 O LYS B 60 -6.760 17.398 8.262 1.00 0.00 O ATOM 1225 CB LYS B 60 -5.599 15.141 10.208 1.00 0.00 C ATOM 1226 CG LYS B 60 -5.213 14.424 11.494 1.00 0.00 C ATOM 1227 CD LYS B 60 -4.373 13.173 11.224 1.00 0.00 C ATOM 1228 CE LYS B 60 -3.849 12.550 12.513 1.00 0.00 C ATOM 1229 NZ LYS B 60 -4.628 12.988 13.704 1.00 0.00 N ATOM 0 H LYS B 60 -8.110 15.541 9.956 1.00 0.00 H new ATOM 0 HA LYS B 60 -5.941 16.899 11.359 1.00 0.00 H new ATOM 0 HB2 LYS B 60 -6.247 14.488 9.623 1.00 0.00 H new ATOM 0 HB3 LYS B 60 -4.699 15.310 9.616 1.00 0.00 H new ATOM 0 HG2 LYS B 60 -4.653 15.105 12.135 1.00 0.00 H new ATOM 0 HG3 LYS B 60 -6.115 14.144 12.038 1.00 0.00 H new ATOM 0 HD2 LYS B 60 -4.975 12.441 10.686 1.00 0.00 H new ATOM 0 HD3 LYS B 60 -3.534 13.432 10.579 1.00 0.00 H new ATOM 0 HE2 LYS B 60 -3.890 11.464 12.433 1.00 0.00 H new ATOM 0 HE3 LYS B 60 -2.801 12.820 12.646 1.00 0.00 H new ATOM 0 HZ1 LYS B 60 -4.402 12.373 14.512 1.00 0.00 H new ATOM 0 HZ2 LYS B 60 -4.382 13.971 13.937 1.00 0.00 H new ATOM 0 HZ3 LYS B 60 -5.645 12.926 13.496 1.00 0.00 H new ATOM 1243 N ALA B 61 -4.990 18.213 9.363 1.00 0.00 N ATOM 1244 CA ALA B 61 -4.626 19.129 8.290 1.00 0.00 C ATOM 1245 C ALA B 61 -4.091 18.362 7.101 1.00 0.00 C ATOM 1246 O ALA B 61 -3.791 18.932 6.055 1.00 0.00 O ATOM 1247 CB ALA B 61 -3.580 20.102 8.774 1.00 0.00 C ATOM 0 H ALA B 61 -4.382 18.254 10.181 1.00 0.00 H new ATOM 0 HA ALA B 61 -5.518 19.678 7.987 1.00 0.00 H new ATOM 0 HB1 ALA B 61 -3.314 20.783 7.965 1.00 0.00 H new ATOM 0 HB2 ALA B 61 -3.975 20.673 9.614 1.00 0.00 H new ATOM 0 HB3 ALA B 61 -2.693 19.554 9.093 1.00 0.00 H new ATOM 1253 N LYS B 62 -3.974 17.068 7.283 1.00 0.00 N ATOM 1254 CA LYS B 62 -3.470 16.201 6.261 1.00 0.00 C ATOM 1255 C LYS B 62 -4.271 14.907 6.228 1.00 0.00 C ATOM 1256 O LYS B 62 -4.429 14.244 7.255 1.00 0.00 O ATOM 1257 CB LYS B 62 -2.005 15.889 6.539 1.00 0.00 C ATOM 1258 CG LYS B 62 -1.734 15.635 8.010 1.00 0.00 C ATOM 1259 CD LYS B 62 -0.325 15.148 8.253 1.00 0.00 C ATOM 1260 CE LYS B 62 -0.057 15.008 9.735 1.00 0.00 C ATOM 1261 NZ LYS B 62 -0.104 16.321 10.436 1.00 0.00 N ATOM 0 H LYS B 62 -4.228 16.592 8.149 1.00 0.00 H new ATOM 0 HA LYS B 62 -3.562 16.697 5.295 1.00 0.00 H new ATOM 0 HB2 LYS B 62 -1.707 15.014 5.962 1.00 0.00 H new ATOM 0 HB3 LYS B 62 -1.389 16.721 6.198 1.00 0.00 H new ATOM 0 HG2 LYS B 62 -1.902 16.553 8.573 1.00 0.00 H new ATOM 0 HG3 LYS B 62 -2.442 14.897 8.386 1.00 0.00 H new ATOM 0 HD2 LYS B 62 -0.176 14.188 7.759 1.00 0.00 H new ATOM 0 HD3 LYS B 62 0.387 15.846 7.814 1.00 0.00 H new ATOM 0 HE2 LYS B 62 -0.793 14.335 10.175 1.00 0.00 H new ATOM 0 HE3 LYS B 62 0.921 14.551 9.885 1.00 0.00 H new ATOM 0 HZ1 LYS B 62 0.779 16.462 10.968 1.00 0.00 H new ATOM 0 HZ2 LYS B 62 -0.214 17.084 9.738 1.00 0.00 H new ATOM 0 HZ3 LYS B 62 -0.910 16.335 11.093 1.00 0.00 H new ATOM 1275 N ILE B 63 -4.797 14.569 5.069 1.00 0.00 N ATOM 1276 CA ILE B 63 -5.550 13.336 4.911 1.00 0.00 C ATOM 1277 C ILE B 63 -4.544 12.191 4.804 1.00 0.00 C ATOM 1278 O ILE B 63 -3.529 12.341 4.135 1.00 0.00 O ATOM 1279 CB ILE B 63 -6.454 13.405 3.662 1.00 0.00 C ATOM 1280 CG1 ILE B 63 -7.531 14.479 3.848 1.00 0.00 C ATOM 1281 CG2 ILE B 63 -7.099 12.064 3.386 1.00 0.00 C ATOM 1282 CD1 ILE B 63 -7.311 15.723 3.014 1.00 0.00 C ATOM 0 H ILE B 63 -4.719 15.129 4.220 1.00 0.00 H new ATOM 0 HA ILE B 63 -6.206 13.176 5.767 1.00 0.00 H new ATOM 0 HB ILE B 63 -5.833 13.668 2.806 1.00 0.00 H new ATOM 0 HG12 ILE B 63 -8.502 14.052 3.596 1.00 0.00 H new ATOM 0 HG13 ILE B 63 -7.570 14.762 4.900 1.00 0.00 H new ATOM 0 HG21 ILE B 63 -7.731 12.139 2.501 1.00 0.00 H new ATOM 0 HG22 ILE B 63 -6.325 11.316 3.216 1.00 0.00 H new ATOM 0 HG23 ILE B 63 -7.707 11.770 4.242 1.00 0.00 H new ATOM 0 HD11 ILE B 63 -8.115 16.434 3.202 1.00 0.00 H new ATOM 0 HD12 ILE B 63 -6.356 16.176 3.281 1.00 0.00 H new ATOM 0 HD13 ILE B 63 -7.303 15.456 1.957 1.00 0.00 H new ATOM 1294 N GLN B 64 -4.782 11.058 5.456 1.00 0.00 N ATOM 1295 CA GLN B 64 -3.782 9.985 5.406 1.00 0.00 C ATOM 1296 C GLN B 64 -4.357 8.604 5.190 1.00 0.00 C ATOM 1297 O GLN B 64 -5.551 8.360 5.338 1.00 0.00 O ATOM 1298 CB GLN B 64 -2.954 9.922 6.684 1.00 0.00 C ATOM 1299 CG GLN B 64 -2.241 11.200 7.060 1.00 0.00 C ATOM 1300 CD GLN B 64 -1.628 11.091 8.435 1.00 0.00 C ATOM 1301 OE1 GLN B 64 -0.606 11.714 8.723 1.00 0.00 O ATOM 1302 NE2 GLN B 64 -2.246 10.279 9.295 1.00 0.00 N ATOM 0 H GLN B 64 -5.619 10.857 6.004 1.00 0.00 H new ATOM 0 HA GLN B 64 -3.169 10.249 4.544 1.00 0.00 H new ATOM 0 HB2 GLN B 64 -3.609 9.636 7.507 1.00 0.00 H new ATOM 0 HB3 GLN B 64 -2.212 9.130 6.577 1.00 0.00 H new ATOM 0 HG2 GLN B 64 -1.464 11.416 6.327 1.00 0.00 H new ATOM 0 HG3 GLN B 64 -2.943 12.033 7.036 1.00 0.00 H new ATOM 0 HE21 GLN B 64 -3.091 9.783 9.011 1.00 0.00 H new ATOM 0 HE22 GLN B 64 -1.873 10.154 10.236 1.00 0.00 H new ATOM 1311 N LEU B 65 -3.464 7.716 4.801 1.00 0.00 N ATOM 1312 CA LEU B 65 -3.763 6.323 4.591 1.00 0.00 C ATOM 1313 C LEU B 65 -2.568 5.518 5.093 1.00 0.00 C ATOM 1314 O LEU B 65 -1.467 6.049 5.137 1.00 0.00 O ATOM 1315 CB LEU B 65 -3.958 6.045 3.110 1.00 0.00 C ATOM 1316 CG LEU B 65 -4.925 4.920 2.782 1.00 0.00 C ATOM 1317 CD1 LEU B 65 -6.327 5.471 2.600 1.00 0.00 C ATOM 1318 CD2 LEU B 65 -4.462 4.170 1.553 1.00 0.00 C ATOM 0 H LEU B 65 -2.489 7.954 4.619 1.00 0.00 H new ATOM 0 HA LEU B 65 -4.676 6.051 5.120 1.00 0.00 H new ATOM 0 HB2 LEU B 65 -4.311 6.957 2.629 1.00 0.00 H new ATOM 0 HB3 LEU B 65 -2.989 5.808 2.671 1.00 0.00 H new ATOM 0 HG LEU B 65 -4.947 4.215 3.613 1.00 0.00 H new ATOM 0 HD11 LEU B 65 -7.011 4.655 2.365 1.00 0.00 H new ATOM 0 HD12 LEU B 65 -6.648 5.960 3.520 1.00 0.00 H new ATOM 0 HD13 LEU B 65 -6.331 6.194 1.784 1.00 0.00 H new ATOM 0 HD21 LEU B 65 -5.165 3.367 1.330 1.00 0.00 H new ATOM 0 HD22 LEU B 65 -4.413 4.854 0.706 1.00 0.00 H new ATOM 0 HD23 LEU B 65 -3.474 3.747 1.735 1.00 0.00 H new ATOM 1330 N GLN B 66 -2.760 4.277 5.509 1.00 0.00 N ATOM 1331 CA GLN B 66 -1.628 3.477 5.966 1.00 0.00 C ATOM 1332 C GLN B 66 -1.804 2.012 5.599 1.00 0.00 C ATOM 1333 O GLN B 66 -2.913 1.483 5.607 1.00 0.00 O ATOM 1334 CB GLN B 66 -1.392 3.629 7.478 1.00 0.00 C ATOM 1335 CG GLN B 66 -2.139 2.626 8.342 1.00 0.00 C ATOM 1336 CD GLN B 66 -1.753 2.684 9.814 1.00 0.00 C ATOM 1337 OE1 GLN B 66 -1.861 1.690 10.532 1.00 0.00 O ATOM 1338 NE2 GLN B 66 -1.312 3.841 10.278 1.00 0.00 N ATOM 0 H GLN B 66 -3.665 3.807 5.541 1.00 0.00 H new ATOM 0 HA GLN B 66 -0.744 3.856 5.453 1.00 0.00 H new ATOM 0 HB2 GLN B 66 -0.324 3.535 7.676 1.00 0.00 H new ATOM 0 HB3 GLN B 66 -1.684 4.635 7.778 1.00 0.00 H new ATOM 0 HG2 GLN B 66 -3.210 2.805 8.248 1.00 0.00 H new ATOM 0 HG3 GLN B 66 -1.949 1.621 7.964 1.00 0.00 H new ATOM 0 HE21 GLN B 66 -1.235 4.645 9.655 1.00 0.00 H new ATOM 0 HE22 GLN B 66 -1.049 3.930 11.259 1.00 0.00 H new ATOM 1347 N LEU B 67 -0.698 1.377 5.260 1.00 0.00 N ATOM 1348 CA LEU B 67 -0.683 -0.025 4.897 1.00 0.00 C ATOM 1349 C LEU B 67 -0.276 -0.865 6.092 1.00 0.00 C ATOM 1350 O LEU B 67 0.887 -0.877 6.477 1.00 0.00 O ATOM 1351 CB LEU B 67 0.310 -0.272 3.765 1.00 0.00 C ATOM 1352 CG LEU B 67 0.005 0.431 2.446 1.00 0.00 C ATOM 1353 CD1 LEU B 67 1.128 0.181 1.454 1.00 0.00 C ATOM 1354 CD2 LEU B 67 -1.324 -0.044 1.880 1.00 0.00 C ATOM 0 H LEU B 67 0.219 1.823 5.229 1.00 0.00 H new ATOM 0 HA LEU B 67 -1.685 -0.303 4.570 1.00 0.00 H new ATOM 0 HB2 LEU B 67 1.299 0.040 4.101 1.00 0.00 H new ATOM 0 HB3 LEU B 67 0.360 -1.345 3.579 1.00 0.00 H new ATOM 0 HG LEU B 67 -0.070 1.503 2.630 1.00 0.00 H new ATOM 0 HD11 LEU B 67 0.903 0.686 0.515 1.00 0.00 H new ATOM 0 HD12 LEU B 67 2.064 0.567 1.859 1.00 0.00 H new ATOM 0 HD13 LEU B 67 1.224 -0.890 1.276 1.00 0.00 H new ATOM 0 HD21 LEU B 67 -1.523 0.469 0.939 1.00 0.00 H new ATOM 0 HD22 LEU B 67 -1.281 -1.119 1.705 1.00 0.00 H new ATOM 0 HD23 LEU B 67 -2.121 0.177 2.590 1.00 0.00 H new ATOM 1366 N VAL B 68 -1.226 -1.551 6.684 1.00 0.00 N ATOM 1367 CA VAL B 68 -0.939 -2.392 7.827 1.00 0.00 C ATOM 1368 C VAL B 68 -0.598 -3.786 7.338 1.00 0.00 C ATOM 1369 O VAL B 68 -1.446 -4.494 6.807 1.00 0.00 O ATOM 1370 CB VAL B 68 -2.124 -2.438 8.800 1.00 0.00 C ATOM 1371 CG1 VAL B 68 -1.729 -3.131 10.090 1.00 0.00 C ATOM 1372 CG2 VAL B 68 -2.627 -1.033 9.077 1.00 0.00 C ATOM 0 H VAL B 68 -2.204 -1.545 6.395 1.00 0.00 H new ATOM 0 HA VAL B 68 -0.092 -1.973 8.370 1.00 0.00 H new ATOM 0 HB VAL B 68 -2.930 -3.011 8.342 1.00 0.00 H new ATOM 0 HG11 VAL B 68 -2.583 -3.154 10.767 1.00 0.00 H new ATOM 0 HG12 VAL B 68 -1.411 -4.151 9.873 1.00 0.00 H new ATOM 0 HG13 VAL B 68 -0.909 -2.587 10.559 1.00 0.00 H new ATOM 0 HG21 VAL B 68 -3.468 -1.077 9.769 1.00 0.00 H new ATOM 0 HG22 VAL B 68 -1.826 -0.440 9.518 1.00 0.00 H new ATOM 0 HG23 VAL B 68 -2.949 -0.571 8.144 1.00 0.00 H new ATOM 1382 N LEU B 69 0.647 -4.174 7.504 1.00 0.00 N ATOM 1383 CA LEU B 69 1.112 -5.464 7.028 1.00 0.00 C ATOM 1384 C LEU B 69 1.041 -6.531 8.103 1.00 0.00 C ATOM 1385 O LEU B 69 1.062 -6.233 9.295 1.00 0.00 O ATOM 1386 CB LEU B 69 2.550 -5.337 6.541 1.00 0.00 C ATOM 1387 CG LEU B 69 2.867 -4.016 5.852 1.00 0.00 C ATOM 1388 CD1 LEU B 69 4.319 -3.958 5.457 1.00 0.00 C ATOM 1389 CD2 LEU B 69 1.992 -3.830 4.635 1.00 0.00 C ATOM 0 H LEU B 69 1.362 -3.613 7.968 1.00 0.00 H new ATOM 0 HA LEU B 69 0.456 -5.769 6.212 1.00 0.00 H new ATOM 0 HB2 LEU B 69 3.221 -5.459 7.391 1.00 0.00 H new ATOM 0 HB3 LEU B 69 2.760 -6.153 5.849 1.00 0.00 H new ATOM 0 HG LEU B 69 2.665 -3.209 6.556 1.00 0.00 H new ATOM 0 HD11 LEU B 69 4.525 -3.007 4.966 1.00 0.00 H new ATOM 0 HD12 LEU B 69 4.942 -4.050 6.347 1.00 0.00 H new ATOM 0 HD13 LEU B 69 4.543 -4.775 4.772 1.00 0.00 H new ATOM 0 HD21 LEU B 69 2.232 -2.881 4.156 1.00 0.00 H new ATOM 0 HD22 LEU B 69 2.167 -4.646 3.933 1.00 0.00 H new ATOM 0 HD23 LEU B 69 0.945 -3.829 4.937 1.00 0.00 H new ATOM 1401 N HIS B 70 0.971 -7.785 7.668 1.00 0.00 N ATOM 1402 CA HIS B 70 0.936 -8.909 8.597 1.00 0.00 C ATOM 1403 C HIS B 70 2.345 -9.176 9.098 1.00 0.00 C ATOM 1404 O HIS B 70 2.577 -10.035 9.945 1.00 0.00 O ATOM 1405 CB HIS B 70 0.359 -10.179 7.951 1.00 0.00 C ATOM 1406 CG HIS B 70 0.417 -10.198 6.455 1.00 0.00 C ATOM 1407 ND1 HIS B 70 -0.650 -9.873 5.651 1.00 0.00 N ATOM 1408 CD2 HIS B 70 1.437 -10.501 5.609 1.00 0.00 C ATOM 1409 CE1 HIS B 70 -0.249 -9.983 4.385 1.00 0.00 C ATOM 1410 NE2 HIS B 70 1.001 -10.369 4.315 1.00 0.00 N ATOM 0 H HIS B 70 0.938 -8.048 6.683 1.00 0.00 H new ATOM 0 HA HIS B 70 0.279 -8.645 9.426 1.00 0.00 H new ATOM 0 HB2 HIS B 70 0.901 -11.044 8.334 1.00 0.00 H new ATOM 0 HB3 HIS B 70 -0.680 -10.290 8.263 1.00 0.00 H new ATOM 0 HD1 HIS B 70 -1.580 -9.598 5.966 1.00 0.00 H new ATOM 0 HD2 HIS B 70 2.431 -10.798 5.908 1.00 0.00 H new ATOM 0 HE1 HIS B 70 -0.874 -9.780 3.528 1.00 0.00 H new ATOM 1418 N ALA B 71 3.278 -8.410 8.549 1.00 0.00 N ATOM 1419 CA ALA B 71 4.681 -8.505 8.901 1.00 0.00 C ATOM 1420 C ALA B 71 4.959 -7.759 10.202 1.00 0.00 C ATOM 1421 O ALA B 71 6.072 -7.787 10.720 1.00 0.00 O ATOM 1422 CB ALA B 71 5.523 -7.929 7.769 1.00 0.00 C ATOM 0 H ALA B 71 3.077 -7.702 7.843 1.00 0.00 H new ATOM 0 HA ALA B 71 4.943 -9.553 9.050 1.00 0.00 H new ATOM 0 HB1 ALA B 71 6.579 -7.998 8.029 1.00 0.00 H new ATOM 0 HB2 ALA B 71 5.337 -8.492 6.854 1.00 0.00 H new ATOM 0 HB3 ALA B 71 5.256 -6.884 7.612 1.00 0.00 H new ATOM 1428 N GLY B 72 3.933 -7.092 10.722 1.00 0.00 N ATOM 1429 CA GLY B 72 4.081 -6.335 11.949 1.00 0.00 C ATOM 1430 C GLY B 72 4.561 -4.928 11.675 1.00 0.00 C ATOM 1431 O GLY B 72 5.082 -4.254 12.562 1.00 0.00 O ATOM 0 H GLY B 72 2.999 -7.063 10.313 1.00 0.00 H new ATOM 0 HA2 GLY B 72 3.126 -6.300 12.474 1.00 0.00 H new ATOM 0 HA3 GLY B 72 4.788 -6.840 12.607 1.00 0.00 H new ATOM 1435 N ASP B 73 4.372 -4.490 10.439 1.00 0.00 N ATOM 1436 CA ASP B 73 4.795 -3.159 10.013 1.00 0.00 C ATOM 1437 C ASP B 73 3.626 -2.403 9.393 1.00 0.00 C ATOM 1438 O ASP B 73 2.649 -3.013 8.951 1.00 0.00 O ATOM 1439 CB ASP B 73 5.953 -3.272 9.013 1.00 0.00 C ATOM 1440 CG ASP B 73 6.357 -1.933 8.423 1.00 0.00 C ATOM 1441 OD1 ASP B 73 6.362 -1.808 7.181 1.00 0.00 O ATOM 1442 OD2 ASP B 73 6.648 -1.005 9.205 1.00 0.00 O ATOM 0 H ASP B 73 3.925 -5.040 9.706 1.00 0.00 H new ATOM 0 HA ASP B 73 5.138 -2.603 10.885 1.00 0.00 H new ATOM 0 HB2 ASP B 73 6.814 -3.719 9.511 1.00 0.00 H new ATOM 0 HB3 ASP B 73 5.666 -3.947 8.207 1.00 0.00 H new ATOM 1447 N THR B 74 3.723 -1.083 9.373 1.00 0.00 N ATOM 1448 CA THR B 74 2.682 -0.246 8.807 1.00 0.00 C ATOM 1449 C THR B 74 3.306 0.853 7.944 1.00 0.00 C ATOM 1450 O THR B 74 4.234 1.534 8.373 1.00 0.00 O ATOM 1451 CB THR B 74 1.820 0.403 9.911 1.00 0.00 C ATOM 1452 OG1 THR B 74 2.659 0.957 10.931 1.00 0.00 O ATOM 1453 CG2 THR B 74 0.877 -0.612 10.534 1.00 0.00 C ATOM 0 H THR B 74 4.520 -0.567 9.746 1.00 0.00 H new ATOM 0 HA THR B 74 2.041 -0.881 8.195 1.00 0.00 H new ATOM 0 HB THR B 74 1.229 1.195 9.451 1.00 0.00 H new ATOM 0 HG1 THR B 74 2.102 1.368 11.625 1.00 0.00 H new ATOM 0 HG21 THR B 74 0.282 -0.128 11.308 1.00 0.00 H new ATOM 0 HG22 THR B 74 0.216 -1.014 9.766 1.00 0.00 H new ATOM 0 HG23 THR B 74 1.456 -1.423 10.975 1.00 0.00 H new ATOM 1461 N THR B 75 2.790 1.024 6.738 1.00 0.00 N ATOM 1462 CA THR B 75 3.299 2.029 5.815 1.00 0.00 C ATOM 1463 C THR B 75 2.325 3.203 5.683 1.00 0.00 C ATOM 1464 O THR B 75 1.270 3.066 5.071 1.00 0.00 O ATOM 1465 CB THR B 75 3.526 1.396 4.427 1.00 0.00 C ATOM 1466 OG1 THR B 75 4.179 0.127 4.571 1.00 0.00 O ATOM 1467 CG2 THR B 75 4.360 2.306 3.540 1.00 0.00 C ATOM 0 H THR B 75 2.012 0.475 6.372 1.00 0.00 H new ATOM 0 HA THR B 75 4.242 2.404 6.211 1.00 0.00 H new ATOM 0 HB THR B 75 2.554 1.255 3.954 1.00 0.00 H new ATOM 0 HG1 THR B 75 4.319 -0.271 3.686 1.00 0.00 H new ATOM 0 HG21 THR B 75 4.504 1.834 2.568 1.00 0.00 H new ATOM 0 HG22 THR B 75 3.845 3.258 3.409 1.00 0.00 H new ATOM 0 HG23 THR B 75 5.330 2.480 4.006 1.00 0.00 H new ATOM 1475 N ASN B 76 2.677 4.359 6.236 1.00 0.00 N ATOM 1476 CA ASN B 76 1.797 5.529 6.167 1.00 0.00 C ATOM 1477 C ASN B 76 1.934 6.269 4.842 1.00 0.00 C ATOM 1478 O ASN B 76 2.956 6.182 4.165 1.00 0.00 O ATOM 1479 CB ASN B 76 2.079 6.508 7.312 1.00 0.00 C ATOM 1480 CG ASN B 76 1.247 6.242 8.547 1.00 0.00 C ATOM 1481 OD1 ASN B 76 0.844 5.113 8.811 1.00 0.00 O ATOM 1482 ND2 ASN B 76 0.977 7.285 9.318 1.00 0.00 N ATOM 0 H ASN B 76 3.554 4.514 6.732 1.00 0.00 H new ATOM 0 HA ASN B 76 0.779 5.149 6.255 1.00 0.00 H new ATOM 0 HB2 ASN B 76 3.135 6.453 7.576 1.00 0.00 H new ATOM 0 HB3 ASN B 76 1.889 7.524 6.967 1.00 0.00 H new ATOM 0 HD21 ASN B 76 0.417 7.164 10.162 1.00 0.00 H new ATOM 0 HD22 ASN B 76 1.329 8.209 9.067 1.00 0.00 H new ATOM 1489 N PHE B 77 0.869 6.971 4.480 1.00 0.00 N ATOM 1490 CA PHE B 77 0.809 7.763 3.262 1.00 0.00 C ATOM 1491 C PHE B 77 0.074 9.070 3.540 1.00 0.00 C ATOM 1492 O PHE B 77 -1.131 9.077 3.803 1.00 0.00 O ATOM 1493 CB PHE B 77 0.106 6.989 2.144 1.00 0.00 C ATOM 1494 CG PHE B 77 0.982 5.960 1.495 1.00 0.00 C ATOM 1495 CD1 PHE B 77 1.986 6.345 0.623 1.00 0.00 C ATOM 1496 CD2 PHE B 77 0.811 4.612 1.760 1.00 0.00 C ATOM 1497 CE1 PHE B 77 2.801 5.405 0.026 1.00 0.00 C ATOM 1498 CE2 PHE B 77 1.623 3.668 1.165 1.00 0.00 C ATOM 1499 CZ PHE B 77 2.620 4.065 0.296 1.00 0.00 C ATOM 0 H PHE B 77 0.012 7.006 5.032 1.00 0.00 H new ATOM 0 HA PHE B 77 1.826 7.981 2.935 1.00 0.00 H new ATOM 0 HB2 PHE B 77 -0.778 6.499 2.551 1.00 0.00 H new ATOM 0 HB3 PHE B 77 -0.240 7.692 1.386 1.00 0.00 H new ATOM 0 HD1 PHE B 77 2.133 7.393 0.408 1.00 0.00 H new ATOM 0 HD2 PHE B 77 0.034 4.296 2.440 1.00 0.00 H new ATOM 0 HE1 PHE B 77 3.580 5.719 -0.653 1.00 0.00 H new ATOM 0 HE2 PHE B 77 1.479 2.619 1.379 1.00 0.00 H new ATOM 0 HZ PHE B 77 3.256 3.328 -0.171 1.00 0.00 H new ATOM 1509 N HIS B 78 0.813 10.165 3.498 1.00 0.00 N ATOM 1510 CA HIS B 78 0.270 11.493 3.758 1.00 0.00 C ATOM 1511 C HIS B 78 -0.264 12.119 2.467 1.00 0.00 C ATOM 1512 O HIS B 78 0.501 12.558 1.612 1.00 0.00 O ATOM 1513 CB HIS B 78 1.384 12.347 4.402 1.00 0.00 C ATOM 1514 CG HIS B 78 1.117 13.826 4.570 1.00 0.00 C ATOM 1515 ND1 HIS B 78 1.722 14.594 5.545 1.00 0.00 N ATOM 1516 CD2 HIS B 78 0.362 14.691 3.841 1.00 0.00 C ATOM 1517 CE1 HIS B 78 1.331 15.863 5.378 1.00 0.00 C ATOM 1518 NE2 HIS B 78 0.506 15.976 4.357 1.00 0.00 N ATOM 0 H HIS B 78 1.810 10.161 3.282 1.00 0.00 H new ATOM 0 HA HIS B 78 -0.575 11.435 4.444 1.00 0.00 H new ATOM 0 HB2 HIS B 78 1.602 11.930 5.385 1.00 0.00 H new ATOM 0 HB3 HIS B 78 2.286 12.234 3.800 1.00 0.00 H new ATOM 0 HD1 HIS B 78 2.357 14.253 6.267 1.00 0.00 H new ATOM 0 HD2 HIS B 78 -0.253 14.423 2.995 1.00 0.00 H new ATOM 0 HE1 HIS B 78 1.650 16.687 5.999 1.00 0.00 H new ATOM 1526 N PHE B 79 -1.580 12.145 2.333 1.00 0.00 N ATOM 1527 CA PHE B 79 -2.235 12.733 1.170 1.00 0.00 C ATOM 1528 C PHE B 79 -2.287 14.251 1.341 1.00 0.00 C ATOM 1529 O PHE B 79 -3.042 14.758 2.172 1.00 0.00 O ATOM 1530 CB PHE B 79 -3.661 12.190 1.031 1.00 0.00 C ATOM 1531 CG PHE B 79 -3.750 10.814 0.436 1.00 0.00 C ATOM 1532 CD1 PHE B 79 -3.480 9.685 1.194 1.00 0.00 C ATOM 1533 CD2 PHE B 79 -4.122 10.654 -0.883 1.00 0.00 C ATOM 1534 CE1 PHE B 79 -3.584 8.422 0.639 1.00 0.00 C ATOM 1535 CE2 PHE B 79 -4.224 9.398 -1.440 1.00 0.00 C ATOM 1536 CZ PHE B 79 -3.957 8.281 -0.684 1.00 0.00 C ATOM 0 H PHE B 79 -2.225 11.761 3.024 1.00 0.00 H new ATOM 0 HA PHE B 79 -1.671 12.475 0.274 1.00 0.00 H new ATOM 0 HB2 PHE B 79 -4.128 12.177 2.016 1.00 0.00 H new ATOM 0 HB3 PHE B 79 -4.239 12.877 0.413 1.00 0.00 H new ATOM 0 HD1 PHE B 79 -3.186 9.792 2.228 1.00 0.00 H new ATOM 0 HD2 PHE B 79 -4.336 11.524 -1.486 1.00 0.00 H new ATOM 0 HE1 PHE B 79 -3.374 7.548 1.238 1.00 0.00 H new ATOM 0 HE2 PHE B 79 -4.515 9.290 -2.475 1.00 0.00 H new ATOM 0 HZ PHE B 79 -4.038 7.297 -1.122 1.00 0.00 H new ATOM 1546 N SER B 80 -1.501 14.978 0.564 1.00 0.00 N ATOM 1547 CA SER B 80 -1.468 16.431 0.693 1.00 0.00 C ATOM 1548 C SER B 80 -1.950 17.152 -0.560 1.00 0.00 C ATOM 1549 O SER B 80 -1.867 18.377 -0.638 1.00 0.00 O ATOM 1550 CB SER B 80 -0.055 16.889 1.044 1.00 0.00 C ATOM 1551 OG SER B 80 0.912 16.180 0.288 1.00 0.00 O ATOM 0 H SER B 80 -0.885 14.596 -0.153 1.00 0.00 H new ATOM 0 HA SER B 80 -2.159 16.693 1.494 1.00 0.00 H new ATOM 0 HB2 SER B 80 0.042 17.958 0.854 1.00 0.00 H new ATOM 0 HB3 SER B 80 0.127 16.736 2.108 1.00 0.00 H new ATOM 0 HG SER B 80 0.504 15.855 -0.542 1.00 0.00 H new ATOM 1557 N ASN B 81 -2.443 16.414 -1.545 1.00 0.00 N ATOM 1558 CA ASN B 81 -2.932 17.048 -2.764 1.00 0.00 C ATOM 1559 C ASN B 81 -4.311 17.644 -2.518 1.00 0.00 C ATOM 1560 O ASN B 81 -5.325 16.978 -2.690 1.00 0.00 O ATOM 1561 CB ASN B 81 -2.972 16.056 -3.930 1.00 0.00 C ATOM 1562 CG ASN B 81 -3.185 16.739 -5.275 1.00 0.00 C ATOM 1563 OD1 ASN B 81 -3.628 16.114 -6.239 1.00 0.00 O ATOM 1564 ND2 ASN B 81 -2.873 18.024 -5.355 1.00 0.00 N ATOM 0 H ASN B 81 -2.515 15.397 -1.528 1.00 0.00 H new ATOM 0 HA ASN B 81 -2.242 17.847 -3.037 1.00 0.00 H new ATOM 0 HB2 ASN B 81 -2.038 15.494 -3.956 1.00 0.00 H new ATOM 0 HB3 ASN B 81 -3.773 15.336 -3.762 1.00 0.00 H new ATOM 0 HD21 ASN B 81 -2.998 18.525 -6.235 1.00 0.00 H new ATOM 0 HD22 ASN B 81 -2.508 18.512 -4.537 1.00 0.00 H new ATOM 1571 N GLU B 82 -4.318 18.911 -2.124 1.00 0.00 N ATOM 1572 CA GLU B 82 -5.536 19.664 -1.808 1.00 0.00 C ATOM 1573 C GLU B 82 -6.685 19.404 -2.792 1.00 0.00 C ATOM 1574 O GLU B 82 -7.846 19.305 -2.389 1.00 0.00 O ATOM 1575 CB GLU B 82 -5.209 21.170 -1.747 1.00 0.00 C ATOM 1576 CG GLU B 82 -4.828 21.813 -3.086 1.00 0.00 C ATOM 1577 CD GLU B 82 -3.757 21.047 -3.848 1.00 0.00 C ATOM 1578 OE1 GLU B 82 -2.632 20.905 -3.328 1.00 0.00 O ATOM 1579 OE2 GLU B 82 -4.059 20.549 -4.954 1.00 0.00 O ATOM 0 H GLU B 82 -3.465 19.458 -2.011 1.00 0.00 H new ATOM 0 HA GLU B 82 -5.886 19.315 -0.836 1.00 0.00 H new ATOM 0 HB2 GLU B 82 -6.074 21.697 -1.343 1.00 0.00 H new ATOM 0 HB3 GLU B 82 -4.389 21.319 -1.045 1.00 0.00 H new ATOM 0 HG2 GLU B 82 -5.719 21.891 -3.709 1.00 0.00 H new ATOM 0 HG3 GLU B 82 -4.476 22.829 -2.905 1.00 0.00 H new ATOM 1586 N SER B 83 -6.352 19.278 -4.066 1.00 0.00 N ATOM 1587 CA SER B 83 -7.335 19.042 -5.107 1.00 0.00 C ATOM 1588 C SER B 83 -8.157 17.772 -4.884 1.00 0.00 C ATOM 1589 O SER B 83 -9.388 17.833 -4.775 1.00 0.00 O ATOM 1590 CB SER B 83 -6.634 18.973 -6.466 1.00 0.00 C ATOM 1591 OG SER B 83 -5.956 20.184 -6.753 1.00 0.00 O ATOM 0 H SER B 83 -5.392 19.337 -4.406 1.00 0.00 H new ATOM 0 HA SER B 83 -8.035 19.877 -5.078 1.00 0.00 H new ATOM 0 HB2 SER B 83 -5.925 18.146 -6.471 1.00 0.00 H new ATOM 0 HB3 SER B 83 -7.367 18.769 -7.247 1.00 0.00 H new ATOM 0 HG SER B 83 -5.293 20.362 -6.053 1.00 0.00 H new ATOM 1597 N THR B 84 -7.507 16.622 -4.818 1.00 0.00 N ATOM 1598 CA THR B 84 -8.250 15.381 -4.689 1.00 0.00 C ATOM 1599 C THR B 84 -7.818 14.467 -3.537 1.00 0.00 C ATOM 1600 O THR B 84 -8.323 13.363 -3.449 1.00 0.00 O ATOM 1601 CB THR B 84 -8.171 14.623 -6.025 1.00 0.00 C ATOM 1602 OG1 THR B 84 -6.808 14.552 -6.467 1.00 0.00 O ATOM 1603 CG2 THR B 84 -9.001 15.347 -7.075 1.00 0.00 C ATOM 0 H THR B 84 -6.492 16.522 -4.851 1.00 0.00 H new ATOM 0 HA THR B 84 -9.272 15.665 -4.440 1.00 0.00 H new ATOM 0 HB THR B 84 -8.559 13.614 -5.883 1.00 0.00 H new ATOM 0 HG1 THR B 84 -6.214 14.503 -5.689 1.00 0.00 H new ATOM 0 HG21 THR B 84 -8.943 14.807 -8.020 1.00 0.00 H new ATOM 0 HG22 THR B 84 -10.040 15.395 -6.748 1.00 0.00 H new ATOM 0 HG23 THR B 84 -8.616 16.358 -7.210 1.00 0.00 H new ATOM 1611 N ALA B 85 -6.946 14.935 -2.644 1.00 0.00 N ATOM 1612 CA ALA B 85 -6.428 14.115 -1.526 1.00 0.00 C ATOM 1613 C ALA B 85 -7.504 13.289 -0.824 1.00 0.00 C ATOM 1614 O ALA B 85 -7.314 12.099 -0.587 1.00 0.00 O ATOM 1615 CB ALA B 85 -5.717 14.989 -0.505 1.00 0.00 C ATOM 0 H ALA B 85 -6.575 15.885 -2.666 1.00 0.00 H new ATOM 0 HA ALA B 85 -5.726 13.412 -1.975 1.00 0.00 H new ATOM 0 HB1 ALA B 85 -5.344 14.367 0.309 1.00 0.00 H new ATOM 0 HB2 ALA B 85 -4.882 15.501 -0.983 1.00 0.00 H new ATOM 0 HB3 ALA B 85 -6.415 15.726 -0.108 1.00 0.00 H new ATOM 1621 N VAL B 86 -8.616 13.918 -0.480 1.00 0.00 N ATOM 1622 CA VAL B 86 -9.711 13.223 0.190 1.00 0.00 C ATOM 1623 C VAL B 86 -10.230 12.066 -0.678 1.00 0.00 C ATOM 1624 O VAL B 86 -10.278 10.921 -0.237 1.00 0.00 O ATOM 1625 CB VAL B 86 -10.855 14.210 0.525 1.00 0.00 C ATOM 1626 CG1 VAL B 86 -12.189 13.493 0.695 1.00 0.00 C ATOM 1627 CG2 VAL B 86 -10.522 15.001 1.778 1.00 0.00 C ATOM 0 H VAL B 86 -8.787 14.909 -0.652 1.00 0.00 H new ATOM 0 HA VAL B 86 -9.333 12.806 1.123 1.00 0.00 H new ATOM 0 HB VAL B 86 -10.952 14.896 -0.316 1.00 0.00 H new ATOM 0 HG11 VAL B 86 -12.966 14.221 0.929 1.00 0.00 H new ATOM 0 HG12 VAL B 86 -12.444 12.975 -0.229 1.00 0.00 H new ATOM 0 HG13 VAL B 86 -12.112 12.770 1.507 1.00 0.00 H new ATOM 0 HG21 VAL B 86 -11.336 15.691 2.000 1.00 0.00 H new ATOM 0 HG22 VAL B 86 -10.388 14.316 2.615 1.00 0.00 H new ATOM 0 HG23 VAL B 86 -9.603 15.565 1.619 1.00 0.00 H new ATOM 1637 N LYS B 87 -10.562 12.374 -1.928 1.00 0.00 N ATOM 1638 CA LYS B 87 -11.068 11.377 -2.874 1.00 0.00 C ATOM 1639 C LYS B 87 -9.975 10.370 -3.210 1.00 0.00 C ATOM 1640 O LYS B 87 -10.249 9.200 -3.465 1.00 0.00 O ATOM 1641 CB LYS B 87 -11.550 12.075 -4.151 1.00 0.00 C ATOM 1642 CG LYS B 87 -12.373 13.331 -3.891 1.00 0.00 C ATOM 1643 CD LYS B 87 -11.803 14.536 -4.628 1.00 0.00 C ATOM 1644 CE LYS B 87 -12.514 15.825 -4.234 1.00 0.00 C ATOM 1645 NZ LYS B 87 -11.958 17.015 -4.943 1.00 0.00 N ATOM 0 H LYS B 87 -10.490 13.315 -2.315 1.00 0.00 H new ATOM 0 HA LYS B 87 -11.904 10.846 -2.419 1.00 0.00 H new ATOM 0 HB2 LYS B 87 -10.685 12.338 -4.759 1.00 0.00 H new ATOM 0 HB3 LYS B 87 -12.148 11.374 -4.734 1.00 0.00 H new ATOM 0 HG2 LYS B 87 -13.403 13.164 -4.207 1.00 0.00 H new ATOM 0 HG3 LYS B 87 -12.397 13.536 -2.821 1.00 0.00 H new ATOM 0 HD2 LYS B 87 -10.739 14.626 -4.410 1.00 0.00 H new ATOM 0 HD3 LYS B 87 -11.896 14.383 -5.703 1.00 0.00 H new ATOM 0 HE2 LYS B 87 -13.577 15.735 -4.458 1.00 0.00 H new ATOM 0 HE3 LYS B 87 -12.426 15.972 -3.157 1.00 0.00 H new ATOM 0 HZ1 LYS B 87 -12.337 17.883 -4.514 1.00 0.00 H new ATOM 0 HZ2 LYS B 87 -10.921 17.013 -4.863 1.00 0.00 H new ATOM 0 HZ3 LYS B 87 -12.228 16.979 -5.947 1.00 0.00 H new ATOM 1659 N GLU B 88 -8.739 10.843 -3.219 1.00 0.00 N ATOM 1660 CA GLU B 88 -7.591 10.000 -3.485 1.00 0.00 C ATOM 1661 C GLU B 88 -7.455 8.984 -2.359 1.00 0.00 C ATOM 1662 O GLU B 88 -7.289 7.794 -2.608 1.00 0.00 O ATOM 1663 CB GLU B 88 -6.330 10.859 -3.640 1.00 0.00 C ATOM 1664 CG GLU B 88 -6.083 11.289 -5.080 1.00 0.00 C ATOM 1665 CD GLU B 88 -5.034 12.377 -5.215 1.00 0.00 C ATOM 1666 OE1 GLU B 88 -5.251 13.486 -4.693 1.00 0.00 O ATOM 1667 OE2 GLU B 88 -4.010 12.146 -5.889 1.00 0.00 O ATOM 0 H GLU B 88 -8.507 11.820 -3.042 1.00 0.00 H new ATOM 0 HA GLU B 88 -7.727 9.459 -4.422 1.00 0.00 H new ATOM 0 HB2 GLU B 88 -6.420 11.745 -3.011 1.00 0.00 H new ATOM 0 HB3 GLU B 88 -5.467 10.298 -3.280 1.00 0.00 H new ATOM 0 HG2 GLU B 88 -5.772 10.421 -5.662 1.00 0.00 H new ATOM 0 HG3 GLU B 88 -7.020 11.643 -5.511 1.00 0.00 H new ATOM 1674 N ARG B 89 -7.568 9.462 -1.119 1.00 0.00 N ATOM 1675 CA ARG B 89 -7.508 8.594 0.054 1.00 0.00 C ATOM 1676 C ARG B 89 -8.598 7.548 -0.060 1.00 0.00 C ATOM 1677 O ARG B 89 -8.399 6.378 0.252 1.00 0.00 O ATOM 1678 CB ARG B 89 -7.721 9.410 1.334 1.00 0.00 C ATOM 1679 CG ARG B 89 -7.300 8.710 2.610 1.00 0.00 C ATOM 1680 CD ARG B 89 -8.479 8.510 3.556 1.00 0.00 C ATOM 1681 NE ARG B 89 -9.222 9.749 3.822 1.00 0.00 N ATOM 1682 CZ ARG B 89 -10.390 10.056 3.246 1.00 0.00 C ATOM 1683 NH1 ARG B 89 -10.936 9.219 2.379 1.00 0.00 N ATOM 1684 NH2 ARG B 89 -11.014 11.193 3.536 1.00 0.00 N ATOM 0 H ARG B 89 -7.702 10.450 -0.902 1.00 0.00 H new ATOM 0 HA ARG B 89 -6.528 8.119 0.101 1.00 0.00 H new ATOM 0 HB2 ARG B 89 -7.167 10.345 1.249 1.00 0.00 H new ATOM 0 HB3 ARG B 89 -8.776 9.671 1.410 1.00 0.00 H new ATOM 0 HG2 ARG B 89 -6.860 7.743 2.367 1.00 0.00 H new ATOM 0 HG3 ARG B 89 -6.528 9.295 3.109 1.00 0.00 H new ATOM 0 HD2 ARG B 89 -9.158 7.771 3.130 1.00 0.00 H new ATOM 0 HD3 ARG B 89 -8.115 8.102 4.499 1.00 0.00 H new ATOM 0 HE ARG B 89 -8.824 10.414 4.485 1.00 0.00 H new ATOM 0 HH11 ARG B 89 -10.467 8.342 2.151 1.00 0.00 H new ATOM 0 HH12 ARG B 89 -11.826 9.450 1.938 1.00 0.00 H new ATOM 0 HH21 ARG B 89 -10.603 11.844 4.205 1.00 0.00 H new ATOM 0 HH22 ARG B 89 -11.904 11.415 3.090 1.00 0.00 H new ATOM 1698 N ASP B 90 -9.752 8.005 -0.519 1.00 0.00 N ATOM 1699 CA ASP B 90 -10.912 7.158 -0.715 1.00 0.00 C ATOM 1700 C ASP B 90 -10.677 6.108 -1.795 1.00 0.00 C ATOM 1701 O ASP B 90 -10.949 4.938 -1.575 1.00 0.00 O ATOM 1702 CB ASP B 90 -12.137 8.022 -1.042 1.00 0.00 C ATOM 1703 CG ASP B 90 -12.914 8.399 0.203 1.00 0.00 C ATOM 1704 OD1 ASP B 90 -12.865 9.576 0.610 1.00 0.00 O ATOM 1705 OD2 ASP B 90 -13.549 7.501 0.798 1.00 0.00 O ATOM 0 H ASP B 90 -9.909 8.982 -0.767 1.00 0.00 H new ATOM 0 HA ASP B 90 -11.096 6.617 0.213 1.00 0.00 H new ATOM 0 HB2 ASP B 90 -11.815 8.927 -1.557 1.00 0.00 H new ATOM 0 HB3 ASP B 90 -12.790 7.481 -1.727 1.00 0.00 H new ATOM 1710 N ALA B 91 -10.145 6.514 -2.939 1.00 0.00 N ATOM 1711 CA ALA B 91 -9.889 5.581 -4.037 1.00 0.00 C ATOM 1712 C ALA B 91 -8.790 4.583 -3.678 1.00 0.00 C ATOM 1713 O ALA B 91 -8.918 3.396 -3.967 1.00 0.00 O ATOM 1714 CB ALA B 91 -9.535 6.339 -5.305 1.00 0.00 C ATOM 0 H ALA B 91 -9.881 7.480 -3.135 1.00 0.00 H new ATOM 0 HA ALA B 91 -10.803 5.013 -4.214 1.00 0.00 H new ATOM 0 HB1 ALA B 91 -9.348 5.631 -6.112 1.00 0.00 H new ATOM 0 HB2 ALA B 91 -10.362 6.993 -5.581 1.00 0.00 H new ATOM 0 HB3 ALA B 91 -8.641 6.938 -5.133 1.00 0.00 H new ATOM 1720 N VAL B 92 -7.705 5.062 -3.064 1.00 0.00 N ATOM 1721 CA VAL B 92 -6.622 4.170 -2.644 1.00 0.00 C ATOM 1722 C VAL B 92 -7.198 3.177 -1.642 1.00 0.00 C ATOM 1723 O VAL B 92 -6.905 1.986 -1.684 1.00 0.00 O ATOM 1724 CB VAL B 92 -5.447 4.934 -2.000 1.00 0.00 C ATOM 1725 CG1 VAL B 92 -4.302 3.989 -1.680 1.00 0.00 C ATOM 1726 CG2 VAL B 92 -4.961 6.039 -2.915 1.00 0.00 C ATOM 0 H VAL B 92 -7.554 6.048 -2.849 1.00 0.00 H new ATOM 0 HA VAL B 92 -6.225 3.665 -3.524 1.00 0.00 H new ATOM 0 HB VAL B 92 -5.805 5.378 -1.071 1.00 0.00 H new ATOM 0 HG11 VAL B 92 -3.484 4.549 -1.227 1.00 0.00 H new ATOM 0 HG12 VAL B 92 -4.646 3.223 -0.985 1.00 0.00 H new ATOM 0 HG13 VAL B 92 -3.953 3.516 -2.598 1.00 0.00 H new ATOM 0 HG21 VAL B 92 -4.132 6.565 -2.442 1.00 0.00 H new ATOM 0 HG22 VAL B 92 -4.626 5.609 -3.859 1.00 0.00 H new ATOM 0 HG23 VAL B 92 -5.775 6.739 -3.104 1.00 0.00 H new ATOM 1736 N LYS B 93 -8.049 3.698 -0.759 1.00 0.00 N ATOM 1737 CA LYS B 93 -8.731 2.894 0.247 1.00 0.00 C ATOM 1738 C LYS B 93 -9.603 1.855 -0.442 1.00 0.00 C ATOM 1739 O LYS B 93 -9.442 0.656 -0.240 1.00 0.00 O ATOM 1740 CB LYS B 93 -9.609 3.799 1.125 1.00 0.00 C ATOM 1741 CG LYS B 93 -10.527 3.056 2.087 1.00 0.00 C ATOM 1742 CD LYS B 93 -11.988 3.203 1.686 1.00 0.00 C ATOM 1743 CE LYS B 93 -12.420 4.662 1.681 1.00 0.00 C ATOM 1744 NZ LYS B 93 -13.635 4.890 0.853 1.00 0.00 N ATOM 0 H LYS B 93 -8.283 4.690 -0.723 1.00 0.00 H new ATOM 0 HA LYS B 93 -7.991 2.394 0.872 1.00 0.00 H new ATOM 0 HB2 LYS B 93 -8.963 4.462 1.700 1.00 0.00 H new ATOM 0 HB3 LYS B 93 -10.218 4.430 0.478 1.00 0.00 H new ATOM 0 HG2 LYS B 93 -10.258 2.000 2.106 1.00 0.00 H new ATOM 0 HG3 LYS B 93 -10.385 3.440 3.097 1.00 0.00 H new ATOM 0 HD2 LYS B 93 -12.140 2.774 0.695 1.00 0.00 H new ATOM 0 HD3 LYS B 93 -12.615 2.639 2.377 1.00 0.00 H new ATOM 0 HE2 LYS B 93 -12.615 4.984 2.704 1.00 0.00 H new ATOM 0 HE3 LYS B 93 -11.605 5.278 1.303 1.00 0.00 H new ATOM 0 HZ1 LYS B 93 -13.707 5.899 0.614 1.00 0.00 H new ATOM 0 HZ2 LYS B 93 -13.569 4.331 -0.021 1.00 0.00 H new ATOM 0 HZ3 LYS B 93 -14.479 4.600 1.387 1.00 0.00 H new ATOM 1758 N ASP B 94 -10.503 2.353 -1.277 1.00 0.00 N ATOM 1759 CA ASP B 94 -11.434 1.533 -2.034 1.00 0.00 C ATOM 1760 C ASP B 94 -10.734 0.420 -2.785 1.00 0.00 C ATOM 1761 O ASP B 94 -11.037 -0.752 -2.588 1.00 0.00 O ATOM 1762 CB ASP B 94 -12.224 2.421 -3.003 1.00 0.00 C ATOM 1763 CG ASP B 94 -13.525 2.920 -2.405 1.00 0.00 C ATOM 1764 OD1 ASP B 94 -14.588 2.669 -3.006 1.00 0.00 O ATOM 1765 OD2 ASP B 94 -13.488 3.548 -1.326 1.00 0.00 O ATOM 0 H ASP B 94 -10.608 3.353 -1.449 1.00 0.00 H new ATOM 0 HA ASP B 94 -12.117 1.059 -1.329 1.00 0.00 H new ATOM 0 HB2 ASP B 94 -11.610 3.274 -3.292 1.00 0.00 H new ATOM 0 HB3 ASP B 94 -12.438 1.860 -3.913 1.00 0.00 H new ATOM 1770 N LEU B 95 -9.769 0.787 -3.609 1.00 0.00 N ATOM 1771 CA LEU B 95 -9.032 -0.179 -4.406 1.00 0.00 C ATOM 1772 C LEU B 95 -8.273 -1.169 -3.527 1.00 0.00 C ATOM 1773 O LEU B 95 -8.119 -2.317 -3.894 1.00 0.00 O ATOM 1774 CB LEU B 95 -8.065 0.547 -5.346 1.00 0.00 C ATOM 1775 CG LEU B 95 -7.693 -0.213 -6.618 1.00 0.00 C ATOM 1776 CD1 LEU B 95 -8.921 -0.447 -7.485 1.00 0.00 C ATOM 1777 CD2 LEU B 95 -6.628 0.546 -7.395 1.00 0.00 C ATOM 0 H LEU B 95 -9.475 1.754 -3.745 1.00 0.00 H new ATOM 0 HA LEU B 95 -9.751 -0.746 -4.997 1.00 0.00 H new ATOM 0 HB2 LEU B 95 -8.509 1.501 -5.630 1.00 0.00 H new ATOM 0 HB3 LEU B 95 -7.151 0.771 -4.797 1.00 0.00 H new ATOM 0 HG LEU B 95 -7.289 -1.184 -6.332 1.00 0.00 H new ATOM 0 HD11 LEU B 95 -8.633 -0.990 -8.385 1.00 0.00 H new ATOM 0 HD12 LEU B 95 -9.654 -1.031 -6.928 1.00 0.00 H new ATOM 0 HD13 LEU B 95 -9.358 0.512 -7.764 1.00 0.00 H new ATOM 0 HD21 LEU B 95 -6.373 -0.008 -8.299 1.00 0.00 H new ATOM 0 HD22 LEU B 95 -7.009 1.530 -7.668 1.00 0.00 H new ATOM 0 HD23 LEU B 95 -5.738 0.660 -6.776 1.00 0.00 H new ATOM 1789 N LEU B 96 -7.835 -0.738 -2.354 1.00 0.00 N ATOM 1790 CA LEU B 96 -7.086 -1.619 -1.456 1.00 0.00 C ATOM 1791 C LEU B 96 -8.026 -2.560 -0.716 1.00 0.00 C ATOM 1792 O LEU B 96 -7.747 -3.740 -0.605 1.00 0.00 O ATOM 1793 CB LEU B 96 -6.268 -0.811 -0.448 1.00 0.00 C ATOM 1794 CG LEU B 96 -4.931 -0.287 -0.967 1.00 0.00 C ATOM 1795 CD1 LEU B 96 -4.365 0.755 -0.017 1.00 0.00 C ATOM 1796 CD2 LEU B 96 -3.945 -1.427 -1.147 1.00 0.00 C ATOM 0 H LEU B 96 -7.981 0.207 -1.999 1.00 0.00 H new ATOM 0 HA LEU B 96 -6.403 -2.208 -2.068 1.00 0.00 H new ATOM 0 HB2 LEU B 96 -6.867 0.036 -0.114 1.00 0.00 H new ATOM 0 HB3 LEU B 96 -6.081 -1.434 0.427 1.00 0.00 H new ATOM 0 HG LEU B 96 -5.099 0.181 -1.937 1.00 0.00 H new ATOM 0 HD11 LEU B 96 -3.412 1.118 -0.401 1.00 0.00 H new ATOM 0 HD12 LEU B 96 -5.063 1.588 0.068 1.00 0.00 H new ATOM 0 HD13 LEU B 96 -4.213 0.308 0.965 1.00 0.00 H new ATOM 0 HD21 LEU B 96 -2.998 -1.034 -1.517 1.00 0.00 H new ATOM 0 HD22 LEU B 96 -3.783 -1.922 -0.190 1.00 0.00 H new ATOM 0 HD23 LEU B 96 -4.345 -2.144 -1.863 1.00 0.00 H new ATOM 1808 N GLN B 97 -9.144 -2.047 -0.214 1.00 0.00 N ATOM 1809 CA GLN B 97 -10.113 -2.893 0.487 1.00 0.00 C ATOM 1810 C GLN B 97 -10.708 -3.888 -0.505 1.00 0.00 C ATOM 1811 O GLN B 97 -11.310 -4.893 -0.139 1.00 0.00 O ATOM 1812 CB GLN B 97 -11.218 -2.055 1.140 1.00 0.00 C ATOM 1813 CG GLN B 97 -10.687 -0.921 2.002 1.00 0.00 C ATOM 1814 CD GLN B 97 -11.620 -0.539 3.135 1.00 0.00 C ATOM 1815 OE1 GLN B 97 -12.831 -0.747 3.068 1.00 0.00 O ATOM 1816 NE2 GLN B 97 -11.059 0.048 4.181 1.00 0.00 N ATOM 0 H GLN B 97 -9.403 -1.062 -0.276 1.00 0.00 H new ATOM 0 HA GLN B 97 -9.602 -3.430 1.286 1.00 0.00 H new ATOM 0 HB2 GLN B 97 -11.857 -1.640 0.361 1.00 0.00 H new ATOM 0 HB3 GLN B 97 -11.843 -2.705 1.753 1.00 0.00 H new ATOM 0 HG2 GLN B 97 -9.722 -1.211 2.418 1.00 0.00 H new ATOM 0 HG3 GLN B 97 -10.513 -0.047 1.374 1.00 0.00 H new ATOM 0 HE21 GLN B 97 -10.051 0.203 4.199 1.00 0.00 H new ATOM 0 HE22 GLN B 97 -11.635 0.345 4.969 1.00 0.00 H new ATOM 1825 N GLN B 98 -10.538 -3.555 -1.770 1.00 0.00 N ATOM 1826 CA GLN B 98 -10.993 -4.364 -2.884 1.00 0.00 C ATOM 1827 C GLN B 98 -9.931 -5.392 -3.272 1.00 0.00 C ATOM 1828 O GLN B 98 -10.194 -6.587 -3.413 1.00 0.00 O ATOM 1829 CB GLN B 98 -11.231 -3.429 -4.072 1.00 0.00 C ATOM 1830 CG GLN B 98 -12.624 -2.829 -4.119 1.00 0.00 C ATOM 1831 CD GLN B 98 -12.827 -1.921 -5.317 1.00 0.00 C ATOM 1832 OE1 GLN B 98 -12.285 -2.160 -6.394 1.00 0.00 O ATOM 1833 NE2 GLN B 98 -13.600 -0.860 -5.133 1.00 0.00 N ATOM 0 H GLN B 98 -10.070 -2.696 -2.058 1.00 0.00 H new ATOM 0 HA GLN B 98 -11.904 -4.894 -2.604 1.00 0.00 H new ATOM 0 HB2 GLN B 98 -10.500 -2.621 -4.037 1.00 0.00 H new ATOM 0 HB3 GLN B 98 -11.053 -3.980 -4.996 1.00 0.00 H new ATOM 0 HG2 GLN B 98 -13.361 -3.632 -4.147 1.00 0.00 H new ATOM 0 HG3 GLN B 98 -12.803 -2.264 -3.205 1.00 0.00 H new ATOM 0 HE21 GLN B 98 -14.033 -0.696 -4.224 1.00 0.00 H new ATOM 0 HE22 GLN B 98 -13.762 -0.208 -5.900 1.00 0.00 H new ATOM 1842 N LEU B 99 -8.727 -4.881 -3.427 1.00 0.00 N ATOM 1843 CA LEU B 99 -7.565 -5.642 -3.862 1.00 0.00 C ATOM 1844 C LEU B 99 -6.861 -6.452 -2.766 1.00 0.00 C ATOM 1845 O LEU B 99 -6.334 -7.526 -3.042 1.00 0.00 O ATOM 1846 CB LEU B 99 -6.596 -4.644 -4.482 1.00 0.00 C ATOM 1847 CG LEU B 99 -6.814 -4.403 -5.977 1.00 0.00 C ATOM 1848 CD1 LEU B 99 -6.048 -3.177 -6.442 1.00 0.00 C ATOM 1849 CD2 LEU B 99 -6.413 -5.628 -6.781 1.00 0.00 C ATOM 0 H LEU B 99 -8.520 -3.898 -3.250 1.00 0.00 H new ATOM 0 HA LEU B 99 -7.910 -6.398 -4.567 1.00 0.00 H new ATOM 0 HB2 LEU B 99 -6.685 -3.694 -3.956 1.00 0.00 H new ATOM 0 HB3 LEU B 99 -5.577 -5.000 -4.328 1.00 0.00 H new ATOM 0 HG LEU B 99 -7.876 -4.220 -6.142 1.00 0.00 H new ATOM 0 HD11 LEU B 99 -6.218 -3.025 -7.508 1.00 0.00 H new ATOM 0 HD12 LEU B 99 -6.393 -2.302 -5.891 1.00 0.00 H new ATOM 0 HD13 LEU B 99 -4.983 -3.323 -6.261 1.00 0.00 H new ATOM 0 HD21 LEU B 99 -6.576 -5.436 -7.842 1.00 0.00 H new ATOM 0 HD22 LEU B 99 -5.359 -5.847 -6.609 1.00 0.00 H new ATOM 0 HD23 LEU B 99 -7.016 -6.481 -6.470 1.00 0.00 H new ATOM 1861 N LEU B 100 -6.842 -5.963 -1.543 1.00 0.00 N ATOM 1862 CA LEU B 100 -6.145 -6.665 -0.468 1.00 0.00 C ATOM 1863 C LEU B 100 -6.792 -8.006 -0.101 1.00 0.00 C ATOM 1864 O LEU B 100 -6.131 -9.041 -0.183 1.00 0.00 O ATOM 1865 CB LEU B 100 -5.983 -5.774 0.763 1.00 0.00 C ATOM 1866 CG LEU B 100 -4.988 -4.638 0.554 1.00 0.00 C ATOM 1867 CD1 LEU B 100 -4.830 -3.790 1.801 1.00 0.00 C ATOM 1868 CD2 LEU B 100 -3.649 -5.189 0.137 1.00 0.00 C ATOM 0 H LEU B 100 -7.294 -5.092 -1.263 1.00 0.00 H new ATOM 0 HA LEU B 100 -5.154 -6.901 -0.854 1.00 0.00 H new ATOM 0 HB2 LEU B 100 -6.953 -5.355 1.030 1.00 0.00 H new ATOM 0 HB3 LEU B 100 -5.657 -6.384 1.605 1.00 0.00 H new ATOM 0 HG LEU B 100 -5.382 -3.999 -0.237 1.00 0.00 H new ATOM 0 HD11 LEU B 100 -4.113 -2.992 1.610 1.00 0.00 H new ATOM 0 HD12 LEU B 100 -5.793 -3.356 2.070 1.00 0.00 H new ATOM 0 HD13 LEU B 100 -4.471 -4.412 2.621 1.00 0.00 H new ATOM 0 HD21 LEU B 100 -2.947 -4.368 -0.009 1.00 0.00 H new ATOM 0 HD22 LEU B 100 -3.272 -5.855 0.913 1.00 0.00 H new ATOM 0 HD23 LEU B 100 -3.758 -5.743 -0.795 1.00 0.00 H new ATOM 1880 N PRO B 101 -8.089 -8.033 0.282 1.00 0.00 N ATOM 1881 CA PRO B 101 -8.770 -9.278 0.674 1.00 0.00 C ATOM 1882 C PRO B 101 -8.781 -10.352 -0.408 1.00 0.00 C ATOM 1883 O PRO B 101 -8.957 -11.533 -0.112 1.00 0.00 O ATOM 1884 CB PRO B 101 -10.199 -8.830 0.995 1.00 0.00 C ATOM 1885 CG PRO B 101 -10.080 -7.378 1.292 1.00 0.00 C ATOM 1886 CD PRO B 101 -8.992 -6.873 0.392 1.00 0.00 C ATOM 0 HA PRO B 101 -8.250 -9.750 1.508 1.00 0.00 H new ATOM 0 HB2 PRO B 101 -10.869 -9.009 0.154 1.00 0.00 H new ATOM 0 HB3 PRO B 101 -10.604 -9.377 1.847 1.00 0.00 H new ATOM 0 HG2 PRO B 101 -11.020 -6.860 1.101 1.00 0.00 H new ATOM 0 HG3 PRO B 101 -9.832 -7.211 2.340 1.00 0.00 H new ATOM 0 HD2 PRO B 101 -9.380 -6.570 -0.580 1.00 0.00 H new ATOM 0 HD3 PRO B 101 -8.486 -6.006 0.817 1.00 0.00 H new ATOM 1894 N LYS B 102 -8.589 -9.957 -1.651 1.00 0.00 N ATOM 1895 CA LYS B 102 -8.584 -10.920 -2.737 1.00 0.00 C ATOM 1896 C LYS B 102 -7.217 -11.602 -2.844 1.00 0.00 C ATOM 1897 O LYS B 102 -7.088 -12.682 -3.425 1.00 0.00 O ATOM 1898 CB LYS B 102 -8.970 -10.244 -4.053 1.00 0.00 C ATOM 1899 CG LYS B 102 -7.839 -9.468 -4.701 1.00 0.00 C ATOM 1900 CD LYS B 102 -8.323 -8.617 -5.871 1.00 0.00 C ATOM 1901 CE LYS B 102 -9.391 -9.318 -6.698 1.00 0.00 C ATOM 1902 NZ LYS B 102 -8.870 -10.529 -7.389 1.00 0.00 N ATOM 0 H LYS B 102 -8.436 -8.989 -1.933 1.00 0.00 H new ATOM 0 HA LYS B 102 -9.326 -11.690 -2.524 1.00 0.00 H new ATOM 0 HB2 LYS B 102 -9.322 -11.004 -4.751 1.00 0.00 H new ATOM 0 HB3 LYS B 102 -9.804 -9.567 -3.871 1.00 0.00 H new ATOM 0 HG2 LYS B 102 -7.368 -8.826 -3.957 1.00 0.00 H new ATOM 0 HG3 LYS B 102 -7.076 -10.164 -5.051 1.00 0.00 H new ATOM 0 HD2 LYS B 102 -8.721 -7.676 -5.492 1.00 0.00 H new ATOM 0 HD3 LYS B 102 -7.476 -8.370 -6.511 1.00 0.00 H new ATOM 0 HE2 LYS B 102 -10.220 -9.601 -6.050 1.00 0.00 H new ATOM 0 HE3 LYS B 102 -9.788 -8.623 -7.438 1.00 0.00 H new ATOM 0 HZ1 LYS B 102 -9.231 -10.555 -8.364 1.00 0.00 H new ATOM 0 HZ2 LYS B 102 -7.831 -10.499 -7.406 1.00 0.00 H new ATOM 0 HZ3 LYS B 102 -9.184 -11.381 -6.881 1.00 0.00 H new ATOM 1916 N PHE B 103 -6.191 -10.976 -2.274 1.00 0.00 N ATOM 1917 CA PHE B 103 -4.853 -11.548 -2.308 1.00 0.00 C ATOM 1918 C PHE B 103 -4.488 -12.130 -0.946 1.00 0.00 C ATOM 1919 O PHE B 103 -3.836 -13.171 -0.869 1.00 0.00 O ATOM 1920 CB PHE B 103 -3.822 -10.507 -2.750 1.00 0.00 C ATOM 1921 CG PHE B 103 -3.996 -10.067 -4.178 1.00 0.00 C ATOM 1922 CD1 PHE B 103 -3.956 -8.725 -4.510 1.00 0.00 C ATOM 1923 CD2 PHE B 103 -4.206 -10.994 -5.188 1.00 0.00 C ATOM 1924 CE1 PHE B 103 -4.123 -8.312 -5.816 1.00 0.00 C ATOM 1925 CE2 PHE B 103 -4.373 -10.587 -6.499 1.00 0.00 C ATOM 1926 CZ PHE B 103 -4.331 -9.242 -6.813 1.00 0.00 C ATOM 0 H PHE B 103 -6.261 -10.082 -1.788 1.00 0.00 H new ATOM 0 HA PHE B 103 -4.846 -12.355 -3.040 1.00 0.00 H new ATOM 0 HB2 PHE B 103 -3.892 -9.637 -2.098 1.00 0.00 H new ATOM 0 HB3 PHE B 103 -2.821 -10.920 -2.624 1.00 0.00 H new ATOM 0 HD1 PHE B 103 -3.792 -7.990 -3.736 1.00 0.00 H new ATOM 0 HD2 PHE B 103 -4.240 -12.046 -4.948 1.00 0.00 H new ATOM 0 HE1 PHE B 103 -4.091 -7.260 -6.058 1.00 0.00 H new ATOM 0 HE2 PHE B 103 -4.536 -11.319 -7.276 1.00 0.00 H new ATOM 0 HZ PHE B 103 -4.461 -8.920 -7.836 1.00 0.00 H new