USER MOD reduce.3.24.130724 H: found=0, std=0, add=839, rem=0, adj=30 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 14 LYS NZ :NH3+ 159:sc= 1.36 (180deg=-0.329!) USER MOD Set 1.2: B 81 ASN : amide:sc= 1.87 K(o=5.8,f=-9.3!) USER MOD Set 1.3: B 83 SER OG : rot -84:sc= 1.37 USER MOD Set 1.4: B 84 THR OG1 : rot 39:sc= 1.16 USER MOD Set 2.1: B 54 LYS NZ :NH3+ 147:sc= 1.09 (180deg=-1.57!) USER MOD Set 2.2: B 66 GLN : amide:sc= -2.56! C(o=-4.5!,f=-16!) USER MOD Set 2.3: B 76 ASN : amide:sc= -3! C(o=-4.5!,f=-5.6!) USER MOD Set 3.1: B 51 LYS NZ :NH3+ -109:sc= 0.229 (180deg=-2.77!) USER MOD Set 3.2: B 52 CYS SG : rot 81:sc= -6.66! USER MOD Set 4.1: B 45 HIS : no HE2:sc= -2.14 K(o=-2.1,f=-3.9!) USER MOD Set 4.2: B 75 THR OG1 : rot 160:sc= 0 USER MOD Set 5.1: B 25 TYR OH : rot 36:sc= 0.373 USER MOD Set 5.2: B 38 LYS NZ :NH3+ -162:sc= 2 (180deg=0.366) USER MOD Single : A 404 ASN : amide:sc= -0.251 X(o=-0.25,f=0) USER MOD Single : B 13 LYS NZ :NH3+ -161:sc= 2.3 (180deg=2.13) USER MOD Single : B 17 GLN :FLIP amide:sc= -0.746 F(o=-2.2!,f=-0.75) USER MOD Single : B 18 LYS NZ :NH3+ 157:sc= -0.323 (180deg=-1.34) USER MOD Single : B 19 LYS NZ :NH3+ -166:sc= -0.0126 (180deg=-0.171) USER MOD Single : B 20 GLN : amide:sc= 0.607 K(o=0.61,f=0) USER MOD Single : B 27 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 42 THR OG1 : rot 140:sc= -0.359 USER MOD Single : B 44 SER OG : rot 180:sc= 0 USER MOD Single : B 46 MET CE :methyl -156:sc= -0.271 (180deg=-0.939) USER MOD Single : B 47 TYR OH : rot -31:sc= 1.15 USER MOD Single : B 53 GLN : amide:sc= -2.11 K(o=-2.1,f=-8.7!) USER MOD Single : B 56 SER OG : rot 160:sc= -0.466 USER MOD Single : B 60 LYS NZ :NH3+ 164:sc= 3.09 (180deg=2.24) USER MOD Single : B 62 LYS NZ :NH3+ -125:sc= 1.27 (180deg=-1.58) USER MOD Single : B 64 GLN :FLIP amide:sc= -0.957 F(o=-2.1!,f=-0.96) USER MOD Single : B 70 HIS : no HE2:sc= -5.8! C(o=-5.8!,f=-11!) USER MOD Single : B 74 THR OG1 : rot 180:sc= 0 USER MOD Single : B 78 HIS : no HE2:sc= -1.67 K(o=-1.7,f=-3.9!) USER MOD Single : B 80 SER OG : rot 162:sc= 1.27 USER MOD Single : B 87 LYS NZ :NH3+ 179:sc= 1.21 (180deg=1.14) USER MOD Single : B 93 LYS NZ :NH3+ 173:sc= 1.91 (180deg=1.83) USER MOD Single : B 97 GLN :FLIP amide:sc= -2.37! C(o=-5.5!,f=-2.4!) USER MOD Single : B 98 GLN : amide:sc= -0.243 K(o=-0.24,f=-1.1!) USER MOD Single : B 102 LYS NZ :NH3+ -177:sc= 1.25 (180deg=1.21) USER MOD ----------------------------------------------------------------- ATOM 101 N GLU A 399 1.277 12.789 11.777 1.00 0.00 N ATOM 102 CA GLU A 399 0.243 12.646 12.794 1.00 0.00 C ATOM 103 C GLU A 399 -0.641 11.492 12.390 1.00 0.00 C ATOM 104 O GLU A 399 -1.510 11.637 11.543 1.00 0.00 O ATOM 105 CB GLU A 399 -0.546 13.944 12.889 1.00 0.00 C ATOM 106 CG GLU A 399 -1.615 13.965 13.953 1.00 0.00 C ATOM 107 CD GLU A 399 -2.492 15.193 13.826 1.00 0.00 C ATOM 108 OE1 GLU A 399 -2.035 16.190 13.215 1.00 0.00 O ATOM 109 OE2 GLU A 399 -3.644 15.152 14.298 1.00 0.00 O ATOM 0 HA GLU A 399 0.672 12.444 13.775 1.00 0.00 H new ATOM 0 HB2 GLU A 399 0.150 14.761 13.078 1.00 0.00 H new ATOM 0 HB3 GLU A 399 -1.012 14.140 11.923 1.00 0.00 H new ATOM 0 HG2 GLU A 399 -2.228 13.067 13.873 1.00 0.00 H new ATOM 0 HG3 GLU A 399 -1.151 13.947 14.939 1.00 0.00 H new ATOM 116 N ASP A 400 -0.425 10.344 12.998 1.00 0.00 N ATOM 117 CA ASP A 400 -1.152 9.154 12.615 1.00 0.00 C ATOM 118 C ASP A 400 -1.691 8.390 13.813 1.00 0.00 C ATOM 119 O ASP A 400 -1.022 7.512 14.356 1.00 0.00 O ATOM 120 CB ASP A 400 -0.226 8.238 11.827 1.00 0.00 C ATOM 121 CG ASP A 400 0.725 8.978 10.898 1.00 0.00 C ATOM 122 OD1 ASP A 400 1.717 9.568 11.387 1.00 0.00 O ATOM 123 OD2 ASP A 400 0.492 8.943 9.674 1.00 0.00 O ATOM 0 H ASP A 400 0.245 10.211 13.756 1.00 0.00 H new ATOM 0 HA ASP A 400 -2.003 9.471 12.012 1.00 0.00 H new ATOM 0 HB2 ASP A 400 0.357 7.638 12.526 1.00 0.00 H new ATOM 0 HB3 ASP A 400 -0.829 7.546 11.239 1.00 0.00 H new ATOM 128 N ASP A 401 -2.903 8.715 14.211 1.00 0.00 N ATOM 129 CA ASP A 401 -3.531 8.046 15.352 1.00 0.00 C ATOM 130 C ASP A 401 -5.007 7.744 15.114 1.00 0.00 C ATOM 131 O ASP A 401 -5.448 6.620 15.342 1.00 0.00 O ATOM 132 CB ASP A 401 -3.350 8.861 16.638 1.00 0.00 C ATOM 133 CG ASP A 401 -3.376 10.358 16.394 1.00 0.00 C ATOM 134 OD1 ASP A 401 -4.314 10.839 15.721 1.00 0.00 O ATOM 135 OD2 ASP A 401 -2.451 11.053 16.863 1.00 0.00 O ATOM 0 H ASP A 401 -3.478 9.433 13.770 1.00 0.00 H new ATOM 0 HA ASP A 401 -3.022 7.089 15.469 1.00 0.00 H new ATOM 0 HB2 ASP A 401 -4.139 8.599 17.343 1.00 0.00 H new ATOM 0 HB3 ASP A 401 -2.403 8.590 17.104 1.00 0.00 H new ATOM 140 N ASP A 402 -5.768 8.733 14.647 1.00 0.00 N ATOM 141 CA ASP A 402 -7.203 8.545 14.362 1.00 0.00 C ATOM 142 C ASP A 402 -7.393 7.688 13.115 1.00 0.00 C ATOM 143 O ASP A 402 -8.480 7.596 12.549 1.00 0.00 O ATOM 144 CB ASP A 402 -7.920 9.889 14.185 1.00 0.00 C ATOM 145 CG ASP A 402 -7.244 10.807 13.183 1.00 0.00 C ATOM 146 OD1 ASP A 402 -7.260 12.032 13.409 1.00 0.00 O ATOM 147 OD2 ASP A 402 -6.675 10.312 12.185 1.00 0.00 O ATOM 0 H ASP A 402 -5.422 9.673 14.456 1.00 0.00 H new ATOM 0 HA ASP A 402 -7.643 8.034 15.218 1.00 0.00 H new ATOM 0 HB2 ASP A 402 -8.945 9.706 13.864 1.00 0.00 H new ATOM 0 HB3 ASP A 402 -7.974 10.393 15.150 1.00 0.00 H new ATOM 152 N PHE A 403 -6.306 7.067 12.718 1.00 0.00 N ATOM 153 CA PHE A 403 -6.235 6.199 11.580 1.00 0.00 C ATOM 154 C PHE A 403 -7.161 4.990 11.752 1.00 0.00 C ATOM 155 O PHE A 403 -6.989 4.193 12.672 1.00 0.00 O ATOM 156 CB PHE A 403 -4.795 5.749 11.490 1.00 0.00 C ATOM 157 CG PHE A 403 -4.053 6.203 10.291 1.00 0.00 C ATOM 158 CD1 PHE A 403 -2.780 6.710 10.416 1.00 0.00 C ATOM 159 CD2 PHE A 403 -4.602 6.069 9.041 1.00 0.00 C ATOM 160 CE1 PHE A 403 -2.062 7.073 9.304 1.00 0.00 C ATOM 161 CE2 PHE A 403 -3.897 6.439 7.925 1.00 0.00 C ATOM 162 CZ PHE A 403 -2.621 6.938 8.057 1.00 0.00 C ATOM 0 H PHE A 403 -5.414 7.161 13.204 1.00 0.00 H new ATOM 0 HA PHE A 403 -6.555 6.714 10.674 1.00 0.00 H new ATOM 0 HB2 PHE A 403 -4.267 6.102 12.376 1.00 0.00 H new ATOM 0 HB3 PHE A 403 -4.772 4.660 11.518 1.00 0.00 H new ATOM 0 HD1 PHE A 403 -2.342 6.823 11.397 1.00 0.00 H new ATOM 0 HD2 PHE A 403 -5.599 5.668 8.935 1.00 0.00 H new ATOM 0 HE1 PHE A 403 -1.061 7.464 9.409 1.00 0.00 H new ATOM 0 HE2 PHE A 403 -4.341 6.339 6.946 1.00 0.00 H new ATOM 0 HZ PHE A 403 -2.059 7.223 7.180 1.00 0.00 H new ATOM 172 N ASN A 404 -8.121 4.848 10.849 1.00 0.00 N ATOM 173 CA ASN A 404 -9.084 3.747 10.911 1.00 0.00 C ATOM 174 C ASN A 404 -8.819 2.736 9.807 1.00 0.00 C ATOM 175 O ASN A 404 -8.627 3.119 8.656 1.00 0.00 O ATOM 176 CB ASN A 404 -10.517 4.273 10.771 1.00 0.00 C ATOM 177 CG ASN A 404 -11.042 4.922 12.036 1.00 0.00 C ATOM 178 OD1 ASN A 404 -11.592 4.253 12.908 1.00 0.00 O ATOM 179 ND2 ASN A 404 -10.887 6.233 12.138 1.00 0.00 N ATOM 0 H ASN A 404 -8.257 5.481 10.061 1.00 0.00 H new ATOM 0 HA ASN A 404 -8.968 3.262 11.880 1.00 0.00 H new ATOM 0 HB2 ASN A 404 -10.553 4.997 9.957 1.00 0.00 H new ATOM 0 HB3 ASN A 404 -11.174 3.449 10.494 1.00 0.00 H new ATOM 0 HD21 ASN A 404 -11.230 6.724 12.963 1.00 0.00 H new ATOM 0 HD22 ASN A 404 -10.425 6.752 11.391 1.00 0.00 H new ATOM 361 N VAL B 8 -0.436 0.362 -13.624 1.00 0.00 N ATOM 362 CA VAL B 8 -0.816 1.344 -12.632 1.00 0.00 C ATOM 363 C VAL B 8 -2.285 1.679 -12.798 1.00 0.00 C ATOM 364 O VAL B 8 -2.675 2.379 -13.732 1.00 0.00 O ATOM 365 CB VAL B 8 0.007 2.638 -12.735 1.00 0.00 C ATOM 366 CG1 VAL B 8 -0.583 3.693 -11.817 1.00 0.00 C ATOM 367 CG2 VAL B 8 1.468 2.380 -12.396 1.00 0.00 C ATOM 0 HA VAL B 8 -0.622 0.908 -11.652 1.00 0.00 H new ATOM 0 HB VAL B 8 -0.034 3.001 -13.762 1.00 0.00 H new ATOM 0 HG11 VAL B 8 0.003 4.609 -11.892 1.00 0.00 H new ATOM 0 HG12 VAL B 8 -1.613 3.896 -12.110 1.00 0.00 H new ATOM 0 HG13 VAL B 8 -0.563 3.333 -10.788 1.00 0.00 H new ATOM 0 HG21 VAL B 8 2.030 3.311 -12.476 1.00 0.00 H new ATOM 0 HG22 VAL B 8 1.543 1.997 -11.378 1.00 0.00 H new ATOM 0 HG23 VAL B 8 1.879 1.647 -13.091 1.00 0.00 H new ATOM 377 N LEU B 9 -3.095 1.148 -11.907 1.00 0.00 N ATOM 378 CA LEU B 9 -4.523 1.383 -11.954 1.00 0.00 C ATOM 379 C LEU B 9 -4.893 2.706 -11.298 1.00 0.00 C ATOM 380 O LEU B 9 -5.860 3.353 -11.694 1.00 0.00 O ATOM 381 CB LEU B 9 -5.274 0.234 -11.270 1.00 0.00 C ATOM 382 CG LEU B 9 -4.829 -1.176 -11.673 1.00 0.00 C ATOM 383 CD1 LEU B 9 -5.543 -2.221 -10.830 1.00 0.00 C ATOM 384 CD2 LEU B 9 -5.089 -1.415 -13.152 1.00 0.00 C ATOM 0 H LEU B 9 -2.789 0.550 -11.140 1.00 0.00 H new ATOM 0 HA LEU B 9 -4.815 1.432 -13.003 1.00 0.00 H new ATOM 0 HB2 LEU B 9 -5.158 0.338 -10.191 1.00 0.00 H new ATOM 0 HB3 LEU B 9 -6.337 0.337 -11.488 1.00 0.00 H new ATOM 0 HG LEU B 9 -3.757 -1.263 -11.494 1.00 0.00 H new ATOM 0 HD11 LEU B 9 -5.215 -3.216 -11.130 1.00 0.00 H new ATOM 0 HD12 LEU B 9 -5.307 -2.063 -9.778 1.00 0.00 H new ATOM 0 HD13 LEU B 9 -6.619 -2.134 -10.978 1.00 0.00 H new ATOM 0 HD21 LEU B 9 -4.767 -2.421 -13.420 1.00 0.00 H new ATOM 0 HD22 LEU B 9 -6.154 -1.309 -13.356 1.00 0.00 H new ATOM 0 HD23 LEU B 9 -4.532 -0.687 -13.742 1.00 0.00 H new ATOM 396 N LEU B 10 -4.128 3.112 -10.297 1.00 0.00 N ATOM 397 CA LEU B 10 -4.418 4.353 -9.600 1.00 0.00 C ATOM 398 C LEU B 10 -3.186 5.222 -9.424 1.00 0.00 C ATOM 399 O LEU B 10 -2.187 4.792 -8.850 1.00 0.00 O ATOM 400 CB LEU B 10 -5.007 4.048 -8.231 1.00 0.00 C ATOM 401 CG LEU B 10 -5.482 5.276 -7.449 1.00 0.00 C ATOM 402 CD1 LEU B 10 -6.913 5.636 -7.801 1.00 0.00 C ATOM 403 CD2 LEU B 10 -5.357 5.041 -5.961 1.00 0.00 C ATOM 0 H LEU B 10 -3.311 2.607 -9.953 1.00 0.00 H new ATOM 0 HA LEU B 10 -5.131 4.904 -10.213 1.00 0.00 H new ATOM 0 HB2 LEU B 10 -5.848 3.367 -8.357 1.00 0.00 H new ATOM 0 HB3 LEU B 10 -4.258 3.524 -7.637 1.00 0.00 H new ATOM 0 HG LEU B 10 -4.842 6.113 -7.730 1.00 0.00 H new ATOM 0 HD11 LEU B 10 -7.219 6.512 -7.229 1.00 0.00 H new ATOM 0 HD12 LEU B 10 -6.981 5.857 -8.866 1.00 0.00 H new ATOM 0 HD13 LEU B 10 -7.568 4.799 -7.561 1.00 0.00 H new ATOM 0 HD21 LEU B 10 -5.699 5.925 -5.423 1.00 0.00 H new ATOM 0 HD22 LEU B 10 -5.967 4.184 -5.676 1.00 0.00 H new ATOM 0 HD23 LEU B 10 -4.315 4.845 -5.710 1.00 0.00 H new ATOM 415 N ILE B 11 -3.262 6.446 -9.923 1.00 0.00 N ATOM 416 CA ILE B 11 -2.175 7.393 -9.772 1.00 0.00 C ATOM 417 C ILE B 11 -2.598 8.485 -8.806 1.00 0.00 C ATOM 418 O ILE B 11 -3.589 9.182 -9.036 1.00 0.00 O ATOM 419 CB ILE B 11 -1.750 8.053 -11.099 1.00 0.00 C ATOM 420 CG1 ILE B 11 -1.343 6.991 -12.123 1.00 0.00 C ATOM 421 CG2 ILE B 11 -0.602 9.029 -10.842 1.00 0.00 C ATOM 422 CD1 ILE B 11 -1.046 7.550 -13.498 1.00 0.00 C ATOM 0 H ILE B 11 -4.067 6.805 -10.436 1.00 0.00 H new ATOM 0 HA ILE B 11 -1.319 6.831 -9.398 1.00 0.00 H new ATOM 0 HB ILE B 11 -2.596 8.605 -11.509 1.00 0.00 H new ATOM 0 HG12 ILE B 11 -0.461 6.465 -11.756 1.00 0.00 H new ATOM 0 HG13 ILE B 11 -2.142 6.254 -12.205 1.00 0.00 H new ATOM 0 HG21 ILE B 11 -0.303 9.494 -11.781 1.00 0.00 H new ATOM 0 HG22 ILE B 11 -0.929 9.799 -10.143 1.00 0.00 H new ATOM 0 HG23 ILE B 11 0.246 8.490 -10.418 1.00 0.00 H new ATOM 0 HD11 ILE B 11 -0.765 6.738 -14.168 1.00 0.00 H new ATOM 0 HD12 ILE B 11 -1.933 8.051 -13.887 1.00 0.00 H new ATOM 0 HD13 ILE B 11 -0.226 8.265 -13.431 1.00 0.00 H new ATOM 434 N VAL B 12 -1.857 8.621 -7.731 1.00 0.00 N ATOM 435 CA VAL B 12 -2.138 9.618 -6.726 1.00 0.00 C ATOM 436 C VAL B 12 -1.028 10.647 -6.723 1.00 0.00 C ATOM 437 O VAL B 12 0.117 10.334 -7.043 1.00 0.00 O ATOM 438 CB VAL B 12 -2.257 8.991 -5.328 1.00 0.00 C ATOM 439 CG1 VAL B 12 -2.880 9.963 -4.347 1.00 0.00 C ATOM 440 CG2 VAL B 12 -3.061 7.704 -5.388 1.00 0.00 C ATOM 0 H VAL B 12 -1.042 8.043 -7.529 1.00 0.00 H new ATOM 0 HA VAL B 12 -3.092 10.088 -6.967 1.00 0.00 H new ATOM 0 HB VAL B 12 -1.252 8.756 -4.977 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -2.952 9.494 -3.366 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -2.260 10.857 -4.277 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -3.877 10.239 -4.691 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -3.135 7.274 -4.389 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -4.061 7.917 -5.766 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -2.565 6.996 -6.052 1.00 0.00 H new ATOM 450 N LYS B 13 -1.367 11.866 -6.377 1.00 0.00 N ATOM 451 CA LYS B 13 -0.390 12.933 -6.350 1.00 0.00 C ATOM 452 C LYS B 13 -0.100 13.331 -4.923 1.00 0.00 C ATOM 453 O LYS B 13 -0.721 12.805 -4.007 1.00 0.00 O ATOM 454 CB LYS B 13 -0.872 14.149 -7.139 1.00 0.00 C ATOM 455 CG LYS B 13 -1.042 13.886 -8.623 1.00 0.00 C ATOM 456 CD LYS B 13 -2.504 13.704 -8.978 1.00 0.00 C ATOM 457 CE LYS B 13 -2.822 12.264 -9.338 1.00 0.00 C ATOM 458 NZ LYS B 13 -4.105 11.815 -8.735 1.00 0.00 N ATOM 0 H LYS B 13 -2.311 12.146 -6.110 1.00 0.00 H new ATOM 0 HA LYS B 13 0.523 12.565 -6.819 1.00 0.00 H new ATOM 0 HB2 LYS B 13 -1.824 14.484 -6.727 1.00 0.00 H new ATOM 0 HB3 LYS B 13 -0.161 14.964 -7.003 1.00 0.00 H new ATOM 0 HG2 LYS B 13 -0.626 14.717 -9.193 1.00 0.00 H new ATOM 0 HG3 LYS B 13 -0.482 12.994 -8.904 1.00 0.00 H new ATOM 0 HD2 LYS B 13 -3.124 14.013 -8.136 1.00 0.00 H new ATOM 0 HD3 LYS B 13 -2.758 14.353 -9.816 1.00 0.00 H new ATOM 0 HE2 LYS B 13 -2.875 12.163 -10.422 1.00 0.00 H new ATOM 0 HE3 LYS B 13 -2.014 11.617 -8.997 1.00 0.00 H new ATOM 0 HZ1 LYS B 13 -4.137 10.776 -8.721 1.00 0.00 H new ATOM 0 HZ2 LYS B 13 -4.177 12.176 -7.762 1.00 0.00 H new ATOM 0 HZ3 LYS B 13 -4.900 12.179 -9.299 1.00 0.00 H new ATOM 472 N LYS B 14 0.789 14.310 -4.788 1.00 0.00 N ATOM 473 CA LYS B 14 1.249 14.854 -3.505 1.00 0.00 C ATOM 474 C LYS B 14 0.964 13.937 -2.316 1.00 0.00 C ATOM 475 O LYS B 14 0.021 14.145 -1.557 1.00 0.00 O ATOM 476 CB LYS B 14 0.597 16.211 -3.266 1.00 0.00 C ATOM 477 CG LYS B 14 1.152 17.332 -4.124 1.00 0.00 C ATOM 478 CD LYS B 14 0.739 18.693 -3.586 1.00 0.00 C ATOM 479 CE LYS B 14 0.294 19.628 -4.700 1.00 0.00 C ATOM 480 NZ LYS B 14 -1.187 19.749 -4.766 1.00 0.00 N ATOM 0 H LYS B 14 1.226 14.764 -5.590 1.00 0.00 H new ATOM 0 HA LYS B 14 2.333 14.948 -3.576 1.00 0.00 H new ATOM 0 HB2 LYS B 14 -0.474 16.124 -3.451 1.00 0.00 H new ATOM 0 HB3 LYS B 14 0.718 16.479 -2.216 1.00 0.00 H new ATOM 0 HG2 LYS B 14 2.240 17.265 -4.155 1.00 0.00 H new ATOM 0 HG3 LYS B 14 0.796 17.220 -5.148 1.00 0.00 H new ATOM 0 HD2 LYS B 14 -0.073 18.570 -2.869 1.00 0.00 H new ATOM 0 HD3 LYS B 14 1.575 19.140 -3.048 1.00 0.00 H new ATOM 0 HE2 LYS B 14 0.732 20.614 -4.543 1.00 0.00 H new ATOM 0 HE3 LYS B 14 0.671 19.260 -5.654 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 -1.442 20.625 -5.265 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 -1.580 18.933 -5.277 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 -1.577 19.774 -3.802 1.00 0.00 H new ATOM 494 N VAL B 15 1.768 12.896 -2.202 1.00 0.00 N ATOM 495 CA VAL B 15 1.666 11.947 -1.107 1.00 0.00 C ATOM 496 C VAL B 15 3.038 11.803 -0.470 1.00 0.00 C ATOM 497 O VAL B 15 4.009 11.513 -1.160 1.00 0.00 O ATOM 498 CB VAL B 15 1.160 10.559 -1.573 1.00 0.00 C ATOM 499 CG1 VAL B 15 1.381 9.509 -0.495 1.00 0.00 C ATOM 500 CG2 VAL B 15 -0.311 10.618 -1.942 1.00 0.00 C ATOM 0 H VAL B 15 2.512 12.684 -2.867 1.00 0.00 H new ATOM 0 HA VAL B 15 0.937 12.327 -0.391 1.00 0.00 H new ATOM 0 HB VAL B 15 1.733 10.277 -2.456 1.00 0.00 H new ATOM 0 HG11 VAL B 15 1.017 8.544 -0.847 1.00 0.00 H new ATOM 0 HG12 VAL B 15 2.445 9.436 -0.271 1.00 0.00 H new ATOM 0 HG13 VAL B 15 0.839 9.794 0.407 1.00 0.00 H new ATOM 0 HG21 VAL B 15 -0.645 9.632 -2.266 1.00 0.00 H new ATOM 0 HG22 VAL B 15 -0.892 10.930 -1.074 1.00 0.00 H new ATOM 0 HG23 VAL B 15 -0.455 11.334 -2.751 1.00 0.00 H new ATOM 510 N ARG B 16 3.125 12.023 0.828 1.00 0.00 N ATOM 511 CA ARG B 16 4.395 11.934 1.519 1.00 0.00 C ATOM 512 C ARG B 16 4.571 10.603 2.226 1.00 0.00 C ATOM 513 O ARG B 16 3.613 10.003 2.709 1.00 0.00 O ATOM 514 CB ARG B 16 4.549 13.052 2.553 1.00 0.00 C ATOM 515 CG ARG B 16 3.849 14.347 2.193 1.00 0.00 C ATOM 516 CD ARG B 16 4.350 15.491 3.056 1.00 0.00 C ATOM 517 NE ARG B 16 3.262 16.345 3.527 1.00 0.00 N ATOM 518 CZ ARG B 16 3.121 17.624 3.190 1.00 0.00 C ATOM 519 NH1 ARG B 16 3.955 18.184 2.320 1.00 0.00 N ATOM 520 NH2 ARG B 16 2.116 18.331 3.698 1.00 0.00 N ATOM 0 H ARG B 16 2.333 12.264 1.423 1.00 0.00 H new ATOM 0 HA ARG B 16 5.160 12.033 0.749 1.00 0.00 H new ATOM 0 HB2 ARG B 16 4.163 12.700 3.510 1.00 0.00 H new ATOM 0 HB3 ARG B 16 5.611 13.255 2.693 1.00 0.00 H new ATOM 0 HG2 ARG B 16 4.020 14.577 1.141 1.00 0.00 H new ATOM 0 HG3 ARG B 16 2.773 14.232 2.323 1.00 0.00 H new ATOM 0 HD2 ARG B 16 4.890 15.088 3.913 1.00 0.00 H new ATOM 0 HD3 ARG B 16 5.059 16.091 2.485 1.00 0.00 H new ATOM 0 HE ARG B 16 2.568 15.935 4.152 1.00 0.00 H new ATOM 0 HH11 ARG B 16 4.707 17.633 1.907 1.00 0.00 H new ATOM 0 HH12 ARG B 16 3.843 19.165 2.065 1.00 0.00 H new ATOM 0 HH21 ARG B 16 1.458 17.892 4.342 1.00 0.00 H new ATOM 0 HH22 ARG B 16 2.003 19.312 3.443 1.00 0.00 H new ATOM 534 N GLN B 17 5.808 10.151 2.259 1.00 0.00 N ATOM 535 CA GLN B 17 6.175 8.932 2.949 1.00 0.00 C ATOM 536 C GLN B 17 7.189 9.302 4.020 1.00 0.00 C ATOM 537 O GLN B 17 8.356 9.547 3.717 1.00 0.00 O ATOM 538 CB GLN B 17 6.771 7.914 1.968 1.00 0.00 C ATOM 539 CG GLN B 17 7.360 6.676 2.630 1.00 0.00 C ATOM 540 CD GLN B 17 6.308 5.788 3.261 1.00 0.00 C ATOM 541 OE1 GLN B 17 5.128 5.761 2.668 1.00 0.00 O flip ATOM 542 NE2 GLN B 17 6.558 5.124 4.263 1.00 0.00 N flip ATOM 0 H GLN B 17 6.591 10.622 1.805 1.00 0.00 H new ATOM 0 HA GLN B 17 5.297 8.470 3.400 1.00 0.00 H new ATOM 0 HB2 GLN B 17 5.995 7.603 1.269 1.00 0.00 H new ATOM 0 HB3 GLN B 17 7.549 8.404 1.383 1.00 0.00 H new ATOM 0 HG2 GLN B 17 7.915 6.102 1.888 1.00 0.00 H new ATOM 0 HG3 GLN B 17 8.074 6.984 3.394 1.00 0.00 H new ATOM 0 HE21 GLN B 17 7.483 5.174 4.690 1.00 0.00 H new ATOM 0 HE22 GLN B 17 5.841 4.522 4.668 1.00 0.00 H new ATOM 551 N LYS B 18 6.734 9.363 5.261 1.00 0.00 N ATOM 552 CA LYS B 18 7.588 9.734 6.384 1.00 0.00 C ATOM 553 C LYS B 18 8.255 11.097 6.145 1.00 0.00 C ATOM 554 O LYS B 18 9.480 11.210 6.145 1.00 0.00 O ATOM 555 CB LYS B 18 8.638 8.650 6.659 1.00 0.00 C ATOM 556 CG LYS B 18 8.167 7.583 7.637 1.00 0.00 C ATOM 557 CD LYS B 18 7.401 6.477 6.931 1.00 0.00 C ATOM 558 CE LYS B 18 6.520 5.699 7.896 1.00 0.00 C ATOM 559 NZ LYS B 18 5.430 6.537 8.444 1.00 0.00 N ATOM 0 H LYS B 18 5.769 9.159 5.520 1.00 0.00 H new ATOM 0 HA LYS B 18 6.956 9.821 7.268 1.00 0.00 H new ATOM 0 HB2 LYS B 18 8.912 8.173 5.718 1.00 0.00 H new ATOM 0 HB3 LYS B 18 9.539 9.120 7.052 1.00 0.00 H new ATOM 0 HG2 LYS B 18 9.027 7.158 8.155 1.00 0.00 H new ATOM 0 HG3 LYS B 18 7.532 8.039 8.396 1.00 0.00 H new ATOM 0 HD2 LYS B 18 6.785 6.908 6.142 1.00 0.00 H new ATOM 0 HD3 LYS B 18 8.104 5.797 6.451 1.00 0.00 H new ATOM 0 HE2 LYS B 18 6.093 4.837 7.384 1.00 0.00 H new ATOM 0 HE3 LYS B 18 7.129 5.314 8.714 1.00 0.00 H new ATOM 0 HZ1 LYS B 18 4.651 5.927 8.765 1.00 0.00 H new ATOM 0 HZ2 LYS B 18 5.789 7.092 9.247 1.00 0.00 H new ATOM 0 HZ3 LYS B 18 5.083 7.182 7.706 1.00 0.00 H new ATOM 573 N LYS B 19 7.415 12.112 5.912 1.00 0.00 N ATOM 574 CA LYS B 19 7.853 13.506 5.700 1.00 0.00 C ATOM 575 C LYS B 19 8.449 13.785 4.308 1.00 0.00 C ATOM 576 O LYS B 19 8.997 14.864 4.092 1.00 0.00 O ATOM 577 CB LYS B 19 8.856 13.947 6.782 1.00 0.00 C ATOM 578 CG LYS B 19 8.225 14.661 7.973 1.00 0.00 C ATOM 579 CD LYS B 19 7.497 13.687 8.885 1.00 0.00 C ATOM 580 CE LYS B 19 7.093 14.324 10.208 1.00 0.00 C ATOM 581 NZ LYS B 19 8.264 14.652 11.060 1.00 0.00 N ATOM 0 H LYS B 19 6.403 11.993 5.864 1.00 0.00 H new ATOM 0 HA LYS B 19 6.938 14.094 5.771 1.00 0.00 H new ATOM 0 HB2 LYS B 19 9.392 13.069 7.143 1.00 0.00 H new ATOM 0 HB3 LYS B 19 9.595 14.607 6.328 1.00 0.00 H new ATOM 0 HG2 LYS B 19 8.998 15.181 8.538 1.00 0.00 H new ATOM 0 HG3 LYS B 19 7.527 15.418 7.616 1.00 0.00 H new ATOM 0 HD2 LYS B 19 6.607 13.314 8.378 1.00 0.00 H new ATOM 0 HD3 LYS B 19 8.138 12.827 9.079 1.00 0.00 H new ATOM 0 HE2 LYS B 19 6.524 15.233 10.012 1.00 0.00 H new ATOM 0 HE3 LYS B 19 6.433 13.645 10.748 1.00 0.00 H new ATOM 0 HZ1 LYS B 19 7.943 14.857 12.028 1.00 0.00 H new ATOM 0 HZ2 LYS B 19 8.918 13.844 11.077 1.00 0.00 H new ATOM 0 HZ3 LYS B 19 8.752 15.485 10.673 1.00 0.00 H new ATOM 595 N GLN B 20 8.350 12.854 3.361 1.00 0.00 N ATOM 596 CA GLN B 20 8.892 13.114 2.020 1.00 0.00 C ATOM 597 C GLN B 20 7.786 13.043 0.965 1.00 0.00 C ATOM 598 O GLN B 20 7.132 12.018 0.800 1.00 0.00 O ATOM 599 CB GLN B 20 10.060 12.168 1.686 1.00 0.00 C ATOM 600 CG GLN B 20 9.655 10.755 1.312 1.00 0.00 C ATOM 601 CD GLN B 20 10.796 9.771 1.436 1.00 0.00 C ATOM 602 OE1 GLN B 20 11.542 9.538 0.487 1.00 0.00 O ATOM 603 NE2 GLN B 20 10.935 9.186 2.611 1.00 0.00 N ATOM 0 H GLN B 20 7.915 11.940 3.485 1.00 0.00 H new ATOM 0 HA GLN B 20 9.295 14.127 2.013 1.00 0.00 H new ATOM 0 HB2 GLN B 20 10.630 12.596 0.862 1.00 0.00 H new ATOM 0 HB3 GLN B 20 10.728 12.123 2.546 1.00 0.00 H new ATOM 0 HG2 GLN B 20 8.833 10.435 1.952 1.00 0.00 H new ATOM 0 HG3 GLN B 20 9.283 10.747 0.288 1.00 0.00 H new ATOM 0 HE21 GLN B 20 10.293 9.409 3.371 1.00 0.00 H new ATOM 0 HE22 GLN B 20 11.685 8.510 2.759 1.00 0.00 H new ATOM 612 N ASP B 21 7.580 14.152 0.267 1.00 0.00 N ATOM 613 CA ASP B 21 6.528 14.254 -0.754 1.00 0.00 C ATOM 614 C ASP B 21 6.857 13.465 -2.020 1.00 0.00 C ATOM 615 O ASP B 21 8.021 13.296 -2.385 1.00 0.00 O ATOM 616 CB ASP B 21 6.280 15.722 -1.126 1.00 0.00 C ATOM 617 CG ASP B 21 5.331 16.419 -0.169 1.00 0.00 C ATOM 618 OD1 ASP B 21 4.105 16.396 -0.412 1.00 0.00 O ATOM 619 OD2 ASP B 21 5.807 16.987 0.839 1.00 0.00 O ATOM 0 H ASP B 21 8.129 15.004 0.386 1.00 0.00 H new ATOM 0 HA ASP B 21 5.629 13.821 -0.315 1.00 0.00 H new ATOM 0 HB2 ASP B 21 7.231 16.254 -1.139 1.00 0.00 H new ATOM 0 HB3 ASP B 21 5.872 15.772 -2.136 1.00 0.00 H new ATOM 624 N GLY B 22 5.808 12.986 -2.678 1.00 0.00 N ATOM 625 CA GLY B 22 5.953 12.227 -3.906 1.00 0.00 C ATOM 626 C GLY B 22 4.605 11.877 -4.514 1.00 0.00 C ATOM 627 O GLY B 22 3.591 12.490 -4.178 1.00 0.00 O ATOM 0 H GLY B 22 4.842 13.113 -2.376 1.00 0.00 H new ATOM 0 HA2 GLY B 22 6.537 12.804 -4.623 1.00 0.00 H new ATOM 0 HA3 GLY B 22 6.510 11.312 -3.704 1.00 0.00 H new ATOM 631 N ALA B 23 4.591 10.888 -5.396 1.00 0.00 N ATOM 632 CA ALA B 23 3.365 10.444 -6.050 1.00 0.00 C ATOM 633 C ALA B 23 3.179 8.949 -5.837 1.00 0.00 C ATOM 634 O ALA B 23 4.139 8.176 -5.899 1.00 0.00 O ATOM 635 CB ALA B 23 3.401 10.773 -7.534 1.00 0.00 C ATOM 0 H ALA B 23 5.424 10.372 -5.679 1.00 0.00 H new ATOM 0 HA ALA B 23 2.519 10.971 -5.608 1.00 0.00 H new ATOM 0 HB1 ALA B 23 2.478 10.434 -8.004 1.00 0.00 H new ATOM 0 HB2 ALA B 23 3.501 11.850 -7.665 1.00 0.00 H new ATOM 0 HB3 ALA B 23 4.250 10.271 -7.998 1.00 0.00 H new ATOM 641 N LEU B 24 1.946 8.553 -5.585 1.00 0.00 N ATOM 642 CA LEU B 24 1.610 7.161 -5.328 1.00 0.00 C ATOM 643 C LEU B 24 1.012 6.508 -6.577 1.00 0.00 C ATOM 644 O LEU B 24 0.203 7.114 -7.271 1.00 0.00 O ATOM 645 CB LEU B 24 0.624 7.106 -4.161 1.00 0.00 C ATOM 646 CG LEU B 24 0.179 5.710 -3.739 1.00 0.00 C ATOM 647 CD1 LEU B 24 1.086 5.133 -2.679 1.00 0.00 C ATOM 648 CD2 LEU B 24 -1.253 5.750 -3.239 1.00 0.00 C ATOM 0 H LEU B 24 1.147 9.186 -5.552 1.00 0.00 H new ATOM 0 HA LEU B 24 2.513 6.607 -5.071 1.00 0.00 H new ATOM 0 HB2 LEU B 24 1.079 7.598 -3.301 1.00 0.00 H new ATOM 0 HB3 LEU B 24 -0.260 7.684 -4.429 1.00 0.00 H new ATOM 0 HG LEU B 24 0.238 5.062 -4.613 1.00 0.00 H new ATOM 0 HD11 LEU B 24 0.737 4.138 -2.404 1.00 0.00 H new ATOM 0 HD12 LEU B 24 2.103 5.067 -3.067 1.00 0.00 H new ATOM 0 HD13 LEU B 24 1.074 5.777 -1.800 1.00 0.00 H new ATOM 0 HD21 LEU B 24 -1.562 4.748 -2.940 1.00 0.00 H new ATOM 0 HD22 LEU B 24 -1.321 6.421 -2.383 1.00 0.00 H new ATOM 0 HD23 LEU B 24 -1.906 6.109 -4.034 1.00 0.00 H new ATOM 660 N TYR B 25 1.425 5.283 -6.871 1.00 0.00 N ATOM 661 CA TYR B 25 0.927 4.558 -8.037 1.00 0.00 C ATOM 662 C TYR B 25 0.548 3.130 -7.654 1.00 0.00 C ATOM 663 O TYR B 25 1.414 2.297 -7.391 1.00 0.00 O ATOM 664 CB TYR B 25 1.982 4.514 -9.151 1.00 0.00 C ATOM 665 CG TYR B 25 2.755 5.800 -9.361 1.00 0.00 C ATOM 666 CD1 TYR B 25 2.277 6.798 -10.198 1.00 0.00 C ATOM 667 CD2 TYR B 25 3.979 6.002 -8.732 1.00 0.00 C ATOM 668 CE1 TYR B 25 2.995 7.963 -10.403 1.00 0.00 C ATOM 669 CE2 TYR B 25 4.700 7.163 -8.929 1.00 0.00 C ATOM 670 CZ TYR B 25 4.206 8.140 -9.765 1.00 0.00 C ATOM 671 OH TYR B 25 4.927 9.298 -9.967 1.00 0.00 O ATOM 0 H TYR B 25 2.107 4.766 -6.316 1.00 0.00 H new ATOM 0 HA TYR B 25 0.046 5.086 -8.402 1.00 0.00 H new ATOM 0 HB2 TYR B 25 2.690 3.716 -8.927 1.00 0.00 H new ATOM 0 HB3 TYR B 25 1.488 4.249 -10.086 1.00 0.00 H new ATOM 0 HD1 TYR B 25 1.329 6.663 -10.698 1.00 0.00 H new ATOM 0 HD2 TYR B 25 4.372 5.238 -8.078 1.00 0.00 H new ATOM 0 HE1 TYR B 25 2.610 8.730 -11.059 1.00 0.00 H new ATOM 0 HE2 TYR B 25 5.647 7.304 -8.430 1.00 0.00 H new ATOM 0 HH TYR B 25 4.311 10.055 -10.058 1.00 0.00 H new ATOM 681 N LEU B 26 -0.743 2.842 -7.629 1.00 0.00 N ATOM 682 CA LEU B 26 -1.203 1.509 -7.268 1.00 0.00 C ATOM 683 C LEU B 26 -1.182 0.596 -8.483 1.00 0.00 C ATOM 684 O LEU B 26 -1.832 0.872 -9.494 1.00 0.00 O ATOM 685 CB LEU B 26 -2.599 1.554 -6.650 1.00 0.00 C ATOM 686 CG LEU B 26 -2.752 2.533 -5.488 1.00 0.00 C ATOM 687 CD1 LEU B 26 -3.976 2.213 -4.661 1.00 0.00 C ATOM 688 CD2 LEU B 26 -1.536 2.534 -4.595 1.00 0.00 C ATOM 0 H LEU B 26 -1.485 3.505 -7.852 1.00 0.00 H new ATOM 0 HA LEU B 26 -0.522 1.107 -6.518 1.00 0.00 H new ATOM 0 HB2 LEU B 26 -3.317 1.818 -7.427 1.00 0.00 H new ATOM 0 HB3 LEU B 26 -2.860 0.555 -6.302 1.00 0.00 H new ATOM 0 HG LEU B 26 -2.864 3.524 -5.928 1.00 0.00 H new ATOM 0 HD11 LEU B 26 -4.058 2.927 -3.841 1.00 0.00 H new ATOM 0 HD12 LEU B 26 -4.865 2.276 -5.288 1.00 0.00 H new ATOM 0 HD13 LEU B 26 -3.888 1.205 -4.256 1.00 0.00 H new ATOM 0 HD21 LEU B 26 -1.683 3.243 -3.780 1.00 0.00 H new ATOM 0 HD22 LEU B 26 -1.385 1.536 -4.184 1.00 0.00 H new ATOM 0 HD23 LEU B 26 -0.659 2.824 -5.174 1.00 0.00 H new ATOM 700 N MET B 27 -0.430 -0.485 -8.368 1.00 0.00 N ATOM 701 CA MET B 27 -0.275 -1.454 -9.444 1.00 0.00 C ATOM 702 C MET B 27 -1.184 -2.653 -9.216 1.00 0.00 C ATOM 703 O MET B 27 -1.697 -2.848 -8.116 1.00 0.00 O ATOM 704 CB MET B 27 1.178 -1.916 -9.525 1.00 0.00 C ATOM 705 CG MET B 27 2.171 -0.860 -9.074 1.00 0.00 C ATOM 706 SD MET B 27 3.841 -1.177 -9.654 1.00 0.00 S ATOM 707 CE MET B 27 4.084 0.280 -10.657 1.00 0.00 C ATOM 0 H MET B 27 0.093 -0.718 -7.524 1.00 0.00 H new ATOM 0 HA MET B 27 -0.554 -0.976 -10.383 1.00 0.00 H new ATOM 0 HB2 MET B 27 1.303 -2.808 -8.911 1.00 0.00 H new ATOM 0 HB3 MET B 27 1.404 -2.202 -10.552 1.00 0.00 H new ATOM 0 HG2 MET B 27 1.845 0.115 -9.435 1.00 0.00 H new ATOM 0 HG3 MET B 27 2.173 -0.812 -7.985 1.00 0.00 H new ATOM 0 HE1 MET B 27 5.079 0.254 -11.102 1.00 0.00 H new ATOM 0 HE2 MET B 27 3.334 0.307 -11.447 1.00 0.00 H new ATOM 0 HE3 MET B 27 3.988 1.170 -10.035 1.00 0.00 H new ATOM 717 N ALA B 28 -1.341 -3.459 -10.256 1.00 0.00 N ATOM 718 CA ALA B 28 -2.196 -4.646 -10.233 1.00 0.00 C ATOM 719 C ALA B 28 -2.030 -5.507 -8.977 1.00 0.00 C ATOM 720 O ALA B 28 -3.014 -5.816 -8.305 1.00 0.00 O ATOM 721 CB ALA B 28 -1.927 -5.485 -11.471 1.00 0.00 C ATOM 0 H ALA B 28 -0.875 -3.309 -11.151 1.00 0.00 H new ATOM 0 HA ALA B 28 -3.225 -4.288 -10.221 1.00 0.00 H new ATOM 0 HB1 ALA B 28 -2.563 -6.370 -11.456 1.00 0.00 H new ATOM 0 HB2 ALA B 28 -2.144 -4.897 -12.363 1.00 0.00 H new ATOM 0 HB3 ALA B 28 -0.881 -5.790 -11.483 1.00 0.00 H new ATOM 727 N GLU B 29 -0.803 -5.897 -8.652 1.00 0.00 N ATOM 728 CA GLU B 29 -0.580 -6.754 -7.493 1.00 0.00 C ATOM 729 C GLU B 29 0.211 -6.057 -6.389 1.00 0.00 C ATOM 730 O GLU B 29 0.558 -6.687 -5.385 1.00 0.00 O ATOM 731 CB GLU B 29 0.186 -8.014 -7.909 1.00 0.00 C ATOM 732 CG GLU B 29 -0.062 -8.451 -9.344 1.00 0.00 C ATOM 733 CD GLU B 29 1.003 -7.924 -10.288 1.00 0.00 C ATOM 734 OE1 GLU B 29 1.486 -6.787 -10.073 1.00 0.00 O ATOM 735 OE2 GLU B 29 1.381 -8.643 -11.232 1.00 0.00 O ATOM 0 H GLU B 29 0.040 -5.639 -9.165 1.00 0.00 H new ATOM 0 HA GLU B 29 -1.566 -7.007 -7.102 1.00 0.00 H new ATOM 0 HB2 GLU B 29 1.253 -7.837 -7.774 1.00 0.00 H new ATOM 0 HB3 GLU B 29 -0.089 -8.830 -7.240 1.00 0.00 H new ATOM 0 HG2 GLU B 29 -0.084 -9.540 -9.393 1.00 0.00 H new ATOM 0 HG3 GLU B 29 -1.041 -8.097 -9.667 1.00 0.00 H new ATOM 742 N ARG B 30 0.471 -4.764 -6.529 1.00 0.00 N ATOM 743 CA ARG B 30 1.270 -4.078 -5.519 1.00 0.00 C ATOM 744 C ARG B 30 1.061 -2.576 -5.529 1.00 0.00 C ATOM 745 O ARG B 30 0.640 -2.003 -6.521 1.00 0.00 O ATOM 746 CB ARG B 30 2.754 -4.387 -5.744 1.00 0.00 C ATOM 747 CG ARG B 30 3.321 -3.792 -7.026 1.00 0.00 C ATOM 748 CD ARG B 30 4.416 -4.669 -7.606 1.00 0.00 C ATOM 749 NE ARG B 30 3.878 -5.765 -8.416 1.00 0.00 N ATOM 750 CZ ARG B 30 4.519 -6.907 -8.645 1.00 0.00 C ATOM 751 NH1 ARG B 30 5.677 -7.155 -8.047 1.00 0.00 N ATOM 752 NH2 ARG B 30 3.993 -7.809 -9.460 1.00 0.00 N ATOM 0 H ARG B 30 0.153 -4.183 -7.305 1.00 0.00 H new ATOM 0 HA ARG B 30 0.944 -4.445 -4.546 1.00 0.00 H new ATOM 0 HB2 ARG B 30 3.326 -4.010 -4.896 1.00 0.00 H new ATOM 0 HB3 ARG B 30 2.891 -5.468 -5.765 1.00 0.00 H new ATOM 0 HG2 ARG B 30 2.522 -3.673 -7.758 1.00 0.00 H new ATOM 0 HG3 ARG B 30 3.718 -2.798 -6.823 1.00 0.00 H new ATOM 0 HD2 ARG B 30 5.081 -4.060 -8.218 1.00 0.00 H new ATOM 0 HD3 ARG B 30 5.017 -5.080 -6.795 1.00 0.00 H new ATOM 0 HE ARG B 30 2.954 -5.644 -8.830 1.00 0.00 H new ATOM 0 HH11 ARG B 30 6.079 -6.468 -7.409 1.00 0.00 H new ATOM 0 HH12 ARG B 30 6.166 -8.032 -8.225 1.00 0.00 H new ATOM 0 HH21 ARG B 30 3.097 -7.627 -9.912 1.00 0.00 H new ATOM 0 HH22 ARG B 30 4.484 -8.685 -9.636 1.00 0.00 H new ATOM 766 N ILE B 31 1.365 -1.951 -4.409 1.00 0.00 N ATOM 767 CA ILE B 31 1.253 -0.510 -4.273 1.00 0.00 C ATOM 768 C ILE B 31 2.651 0.095 -4.345 1.00 0.00 C ATOM 769 O ILE B 31 3.523 -0.235 -3.535 1.00 0.00 O ATOM 770 CB ILE B 31 0.558 -0.111 -2.945 1.00 0.00 C ATOM 771 CG1 ILE B 31 0.979 1.299 -2.512 1.00 0.00 C ATOM 772 CG2 ILE B 31 0.857 -1.128 -1.848 1.00 0.00 C ATOM 773 CD1 ILE B 31 0.191 1.836 -1.340 1.00 0.00 C ATOM 0 H ILE B 31 1.696 -2.425 -3.569 1.00 0.00 H new ATOM 0 HA ILE B 31 0.634 -0.126 -5.084 1.00 0.00 H new ATOM 0 HB ILE B 31 -0.519 -0.106 -3.115 1.00 0.00 H new ATOM 0 HG12 ILE B 31 2.038 1.289 -2.252 1.00 0.00 H new ATOM 0 HG13 ILE B 31 0.865 1.978 -3.357 1.00 0.00 H new ATOM 0 HG21 ILE B 31 0.359 -0.826 -0.927 1.00 0.00 H new ATOM 0 HG22 ILE B 31 0.493 -2.109 -2.153 1.00 0.00 H new ATOM 0 HG23 ILE B 31 1.933 -1.176 -1.680 1.00 0.00 H new ATOM 0 HD11 ILE B 31 0.545 2.836 -1.091 1.00 0.00 H new ATOM 0 HD12 ILE B 31 -0.866 1.880 -1.602 1.00 0.00 H new ATOM 0 HD13 ILE B 31 0.325 1.180 -0.480 1.00 0.00 H new ATOM 785 N ALA B 32 2.875 0.944 -5.335 1.00 0.00 N ATOM 786 CA ALA B 32 4.171 1.574 -5.513 1.00 0.00 C ATOM 787 C ALA B 32 4.072 3.077 -5.315 1.00 0.00 C ATOM 788 O ALA B 32 3.045 3.682 -5.595 1.00 0.00 O ATOM 789 CB ALA B 32 4.731 1.256 -6.892 1.00 0.00 C ATOM 0 H ALA B 32 2.175 1.212 -6.027 1.00 0.00 H new ATOM 0 HA ALA B 32 4.851 1.175 -4.760 1.00 0.00 H new ATOM 0 HB1 ALA B 32 5.703 1.736 -7.010 1.00 0.00 H new ATOM 0 HB2 ALA B 32 4.843 0.177 -6.999 1.00 0.00 H new ATOM 0 HB3 ALA B 32 4.048 1.627 -7.656 1.00 0.00 H new ATOM 795 N TRP B 33 5.124 3.670 -4.793 1.00 0.00 N ATOM 796 CA TRP B 33 5.156 5.103 -4.570 1.00 0.00 C ATOM 797 C TRP B 33 6.581 5.614 -4.757 1.00 0.00 C ATOM 798 O TRP B 33 7.544 4.909 -4.446 1.00 0.00 O ATOM 799 CB TRP B 33 4.596 5.428 -3.175 1.00 0.00 C ATOM 800 CG TRP B 33 4.766 6.853 -2.742 1.00 0.00 C ATOM 801 CD1 TRP B 33 3.825 7.833 -2.816 1.00 0.00 C ATOM 802 CD2 TRP B 33 5.929 7.462 -2.161 1.00 0.00 C ATOM 803 NE1 TRP B 33 4.325 9.011 -2.337 1.00 0.00 N ATOM 804 CE2 TRP B 33 5.615 8.811 -1.925 1.00 0.00 C ATOM 805 CE3 TRP B 33 7.204 7.001 -1.821 1.00 0.00 C ATOM 806 CZ2 TRP B 33 6.526 9.702 -1.367 1.00 0.00 C ATOM 807 CZ3 TRP B 33 8.107 7.886 -1.266 1.00 0.00 C ATOM 808 CH2 TRP B 33 7.763 9.224 -1.045 1.00 0.00 C ATOM 0 H TRP B 33 5.974 3.180 -4.513 1.00 0.00 H new ATOM 0 HA TRP B 33 4.524 5.612 -5.297 1.00 0.00 H new ATOM 0 HB2 TRP B 33 3.534 5.183 -3.160 1.00 0.00 H new ATOM 0 HB3 TRP B 33 5.082 4.781 -2.445 1.00 0.00 H new ATOM 0 HD1 TRP B 33 2.824 7.699 -3.199 1.00 0.00 H new ATOM 0 HE1 TRP B 33 3.819 9.896 -2.294 1.00 0.00 H new ATOM 0 HE3 TRP B 33 7.478 5.970 -1.990 1.00 0.00 H new ATOM 0 HZ2 TRP B 33 6.264 10.735 -1.195 1.00 0.00 H new ATOM 0 HZ3 TRP B 33 9.094 7.540 -0.998 1.00 0.00 H new ATOM 0 HH2 TRP B 33 8.492 9.892 -0.611 1.00 0.00 H new ATOM 819 N ALA B 34 6.717 6.825 -5.281 1.00 0.00 N ATOM 820 CA ALA B 34 8.030 7.407 -5.515 1.00 0.00 C ATOM 821 C ALA B 34 8.012 8.921 -5.290 1.00 0.00 C ATOM 822 O ALA B 34 7.123 9.616 -5.787 1.00 0.00 O ATOM 823 CB ALA B 34 8.497 7.075 -6.924 1.00 0.00 C ATOM 0 H ALA B 34 5.935 7.422 -5.551 1.00 0.00 H new ATOM 0 HA ALA B 34 8.732 6.978 -4.800 1.00 0.00 H new ATOM 0 HB1 ALA B 34 9.480 7.513 -7.094 1.00 0.00 H new ATOM 0 HB2 ALA B 34 8.556 5.993 -7.042 1.00 0.00 H new ATOM 0 HB3 ALA B 34 7.789 7.481 -7.647 1.00 0.00 H new ATOM 829 N PRO B 35 9.006 9.446 -4.548 1.00 0.00 N ATOM 830 CA PRO B 35 9.118 10.885 -4.239 1.00 0.00 C ATOM 831 C PRO B 35 9.499 11.699 -5.468 1.00 0.00 C ATOM 832 O PRO B 35 10.429 11.336 -6.177 1.00 0.00 O ATOM 833 CB PRO B 35 10.247 10.929 -3.205 1.00 0.00 C ATOM 834 CG PRO B 35 11.086 9.746 -3.537 1.00 0.00 C ATOM 835 CD PRO B 35 10.123 8.679 -3.968 1.00 0.00 C ATOM 0 HA PRO B 35 8.178 11.309 -3.887 1.00 0.00 H new ATOM 0 HB2 PRO B 35 10.817 11.855 -3.276 1.00 0.00 H new ATOM 0 HB3 PRO B 35 9.859 10.871 -2.188 1.00 0.00 H new ATOM 0 HG2 PRO B 35 11.795 9.979 -4.331 1.00 0.00 H new ATOM 0 HG3 PRO B 35 11.668 9.423 -2.674 1.00 0.00 H new ATOM 0 HD2 PRO B 35 10.570 8.005 -4.698 1.00 0.00 H new ATOM 0 HD3 PRO B 35 9.797 8.067 -3.127 1.00 0.00 H new ATOM 843 N GLU B 36 8.796 12.801 -5.708 1.00 0.00 N ATOM 844 CA GLU B 36 9.057 13.638 -6.880 1.00 0.00 C ATOM 845 C GLU B 36 10.533 13.988 -7.020 1.00 0.00 C ATOM 846 O GLU B 36 11.188 14.407 -6.066 1.00 0.00 O ATOM 847 CB GLU B 36 8.182 14.890 -6.858 1.00 0.00 C ATOM 848 CG GLU B 36 6.852 14.681 -7.570 1.00 0.00 C ATOM 849 CD GLU B 36 6.725 13.280 -8.149 1.00 0.00 C ATOM 850 OE1 GLU B 36 6.133 12.409 -7.484 1.00 0.00 O ATOM 851 OE2 GLU B 36 7.252 13.031 -9.256 1.00 0.00 O ATOM 0 H GLU B 36 8.042 13.137 -5.109 1.00 0.00 H new ATOM 0 HA GLU B 36 8.791 13.056 -7.762 1.00 0.00 H new ATOM 0 HB2 GLU B 36 7.996 15.182 -5.824 1.00 0.00 H new ATOM 0 HB3 GLU B 36 8.718 15.713 -7.330 1.00 0.00 H new ATOM 0 HG2 GLU B 36 6.035 14.859 -6.870 1.00 0.00 H new ATOM 0 HG3 GLU B 36 6.751 15.414 -8.371 1.00 0.00 H new ATOM 858 N GLY B 37 11.035 13.807 -8.236 1.00 0.00 N ATOM 859 CA GLY B 37 12.438 14.040 -8.518 1.00 0.00 C ATOM 860 C GLY B 37 13.175 12.718 -8.579 1.00 0.00 C ATOM 861 O GLY B 37 14.403 12.667 -8.608 1.00 0.00 O ATOM 0 H GLY B 37 10.487 13.499 -9.040 1.00 0.00 H new ATOM 0 HA2 GLY B 37 12.545 14.571 -9.464 1.00 0.00 H new ATOM 0 HA3 GLY B 37 12.873 14.674 -7.746 1.00 0.00 H new ATOM 865 N LYS B 38 12.390 11.649 -8.600 1.00 0.00 N ATOM 866 CA LYS B 38 12.902 10.287 -8.637 1.00 0.00 C ATOM 867 C LYS B 38 12.872 9.706 -10.043 1.00 0.00 C ATOM 868 O LYS B 38 12.228 10.247 -10.944 1.00 0.00 O ATOM 869 CB LYS B 38 12.046 9.393 -7.734 1.00 0.00 C ATOM 870 CG LYS B 38 10.751 8.907 -8.394 1.00 0.00 C ATOM 871 CD LYS B 38 9.741 10.033 -8.607 1.00 0.00 C ATOM 872 CE LYS B 38 8.480 9.547 -9.306 1.00 0.00 C ATOM 873 NZ LYS B 38 7.286 10.365 -8.948 1.00 0.00 N ATOM 0 H LYS B 38 11.372 11.704 -8.592 1.00 0.00 H new ATOM 0 HA LYS B 38 13.936 10.320 -8.293 1.00 0.00 H new ATOM 0 HB2 LYS B 38 12.635 8.528 -7.431 1.00 0.00 H new ATOM 0 HB3 LYS B 38 11.796 9.942 -6.826 1.00 0.00 H new ATOM 0 HG2 LYS B 38 10.987 8.449 -9.355 1.00 0.00 H new ATOM 0 HG3 LYS B 38 10.300 8.132 -7.774 1.00 0.00 H new ATOM 0 HD2 LYS B 38 9.476 10.468 -7.644 1.00 0.00 H new ATOM 0 HD3 LYS B 38 10.201 10.824 -9.199 1.00 0.00 H new ATOM 0 HE2 LYS B 38 8.630 9.579 -10.385 1.00 0.00 H new ATOM 0 HE3 LYS B 38 8.298 8.506 -9.040 1.00 0.00 H new ATOM 0 HZ1 LYS B 38 6.421 9.839 -9.186 1.00 0.00 H new ATOM 0 HZ2 LYS B 38 7.298 10.569 -7.928 1.00 0.00 H new ATOM 0 HZ3 LYS B 38 7.305 11.259 -9.480 1.00 0.00 H new ATOM 887 N ASP B 39 13.567 8.591 -10.204 1.00 0.00 N ATOM 888 CA ASP B 39 13.604 7.873 -11.466 1.00 0.00 C ATOM 889 C ASP B 39 13.161 6.432 -11.243 1.00 0.00 C ATOM 890 O ASP B 39 13.010 5.653 -12.184 1.00 0.00 O ATOM 891 CB ASP B 39 15.015 7.910 -12.067 1.00 0.00 C ATOM 892 CG ASP B 39 16.004 7.034 -11.313 1.00 0.00 C ATOM 893 OD1 ASP B 39 15.873 6.902 -10.074 1.00 0.00 O ATOM 894 OD2 ASP B 39 16.918 6.472 -11.951 1.00 0.00 O ATOM 0 H ASP B 39 14.120 8.160 -9.464 1.00 0.00 H new ATOM 0 HA ASP B 39 12.924 8.354 -12.169 1.00 0.00 H new ATOM 0 HB2 ASP B 39 14.970 7.586 -13.107 1.00 0.00 H new ATOM 0 HB3 ASP B 39 15.377 8.938 -12.069 1.00 0.00 H new ATOM 899 N ARG B 40 12.939 6.093 -9.978 1.00 0.00 N ATOM 900 CA ARG B 40 12.520 4.756 -9.596 1.00 0.00 C ATOM 901 C ARG B 40 11.587 4.819 -8.391 1.00 0.00 C ATOM 902 O ARG B 40 11.513 5.843 -7.710 1.00 0.00 O ATOM 903 CB ARG B 40 13.747 3.897 -9.270 1.00 0.00 C ATOM 904 CG ARG B 40 14.546 4.395 -8.073 1.00 0.00 C ATOM 905 CD ARG B 40 15.992 3.931 -8.135 1.00 0.00 C ATOM 906 NE ARG B 40 16.694 4.497 -9.284 1.00 0.00 N ATOM 907 CZ ARG B 40 17.764 3.952 -9.858 1.00 0.00 C ATOM 908 NH1 ARG B 40 18.309 2.848 -9.352 1.00 0.00 N ATOM 909 NH2 ARG B 40 18.289 4.518 -10.936 1.00 0.00 N ATOM 0 H ARG B 40 13.045 6.737 -9.194 1.00 0.00 H new ATOM 0 HA ARG B 40 11.982 4.304 -10.429 1.00 0.00 H new ATOM 0 HB2 ARG B 40 13.422 2.874 -9.078 1.00 0.00 H new ATOM 0 HB3 ARG B 40 14.399 3.866 -10.143 1.00 0.00 H new ATOM 0 HG2 ARG B 40 14.514 5.484 -8.041 1.00 0.00 H new ATOM 0 HG3 ARG B 40 14.087 4.035 -7.153 1.00 0.00 H new ATOM 0 HD2 ARG B 40 16.506 4.218 -7.218 1.00 0.00 H new ATOM 0 HD3 ARG B 40 16.023 2.843 -8.190 1.00 0.00 H new ATOM 0 HE ARG B 40 16.340 5.371 -9.674 1.00 0.00 H new ATOM 0 HH11 ARG B 40 17.907 2.416 -8.520 1.00 0.00 H new ATOM 0 HH12 ARG B 40 19.129 2.434 -9.796 1.00 0.00 H new ATOM 0 HH21 ARG B 40 17.873 5.366 -11.321 1.00 0.00 H new ATOM 0 HH22 ARG B 40 19.109 4.105 -11.381 1.00 0.00 H new ATOM 923 N PHE B 41 10.876 3.731 -8.135 1.00 0.00 N ATOM 924 CA PHE B 41 9.952 3.669 -7.011 1.00 0.00 C ATOM 925 C PHE B 41 10.678 3.199 -5.758 1.00 0.00 C ATOM 926 O PHE B 41 11.405 2.207 -5.793 1.00 0.00 O ATOM 927 CB PHE B 41 8.790 2.720 -7.318 1.00 0.00 C ATOM 928 CG PHE B 41 8.146 2.954 -8.655 1.00 0.00 C ATOM 929 CD1 PHE B 41 8.354 2.069 -9.701 1.00 0.00 C ATOM 930 CD2 PHE B 41 7.331 4.054 -8.865 1.00 0.00 C ATOM 931 CE1 PHE B 41 7.764 2.279 -10.932 1.00 0.00 C ATOM 932 CE2 PHE B 41 6.738 4.270 -10.095 1.00 0.00 C ATOM 933 CZ PHE B 41 6.955 3.380 -11.130 1.00 0.00 C ATOM 0 H PHE B 41 10.921 2.877 -8.691 1.00 0.00 H new ATOM 0 HA PHE B 41 9.554 4.670 -6.842 1.00 0.00 H new ATOM 0 HB2 PHE B 41 9.152 1.693 -7.276 1.00 0.00 H new ATOM 0 HB3 PHE B 41 8.034 2.824 -6.539 1.00 0.00 H new ATOM 0 HD1 PHE B 41 8.985 1.205 -9.552 1.00 0.00 H new ATOM 0 HD2 PHE B 41 7.157 4.751 -8.059 1.00 0.00 H new ATOM 0 HE1 PHE B 41 7.935 1.582 -11.739 1.00 0.00 H new ATOM 0 HE2 PHE B 41 6.106 5.133 -10.247 1.00 0.00 H new ATOM 0 HZ PHE B 41 6.493 3.546 -12.092 1.00 0.00 H new ATOM 943 N THR B 42 10.493 3.920 -4.664 1.00 0.00 N ATOM 944 CA THR B 42 11.124 3.564 -3.405 1.00 0.00 C ATOM 945 C THR B 42 10.180 2.717 -2.561 1.00 0.00 C ATOM 946 O THR B 42 10.609 1.928 -1.720 1.00 0.00 O ATOM 947 CB THR B 42 11.526 4.821 -2.618 1.00 0.00 C ATOM 948 OG1 THR B 42 10.546 5.847 -2.820 1.00 0.00 O ATOM 949 CG2 THR B 42 12.892 5.326 -3.058 1.00 0.00 C ATOM 0 H THR B 42 9.910 4.756 -4.623 1.00 0.00 H new ATOM 0 HA THR B 42 12.022 2.989 -3.631 1.00 0.00 H new ATOM 0 HB THR B 42 11.579 4.563 -1.560 1.00 0.00 H new ATOM 0 HG1 THR B 42 10.386 6.317 -1.975 1.00 0.00 H new ATOM 0 HG21 THR B 42 13.153 6.216 -2.486 1.00 0.00 H new ATOM 0 HG22 THR B 42 13.639 4.552 -2.885 1.00 0.00 H new ATOM 0 HG23 THR B 42 12.864 5.572 -4.119 1.00 0.00 H new ATOM 957 N ILE B 43 8.888 2.892 -2.798 1.00 0.00 N ATOM 958 CA ILE B 43 7.869 2.156 -2.076 1.00 0.00 C ATOM 959 C ILE B 43 7.258 1.086 -2.969 1.00 0.00 C ATOM 960 O ILE B 43 6.729 1.391 -4.037 1.00 0.00 O ATOM 961 CB ILE B 43 6.753 3.097 -1.563 1.00 0.00 C ATOM 962 CG1 ILE B 43 7.274 3.968 -0.418 1.00 0.00 C ATOM 963 CG2 ILE B 43 5.527 2.307 -1.121 1.00 0.00 C ATOM 964 CD1 ILE B 43 7.722 3.182 0.796 1.00 0.00 C ATOM 0 H ILE B 43 8.522 3.544 -3.492 1.00 0.00 H new ATOM 0 HA ILE B 43 8.348 1.685 -1.217 1.00 0.00 H new ATOM 0 HB ILE B 43 6.453 3.746 -2.386 1.00 0.00 H new ATOM 0 HG12 ILE B 43 8.110 4.566 -0.781 1.00 0.00 H new ATOM 0 HG13 ILE B 43 6.491 4.664 -0.119 1.00 0.00 H new ATOM 0 HG21 ILE B 43 4.760 2.995 -0.766 1.00 0.00 H new ATOM 0 HG22 ILE B 43 5.139 1.735 -1.964 1.00 0.00 H new ATOM 0 HG23 ILE B 43 5.804 1.625 -0.317 1.00 0.00 H new ATOM 0 HD11 ILE B 43 8.078 3.869 1.564 1.00 0.00 H new ATOM 0 HD12 ILE B 43 6.883 2.605 1.186 1.00 0.00 H new ATOM 0 HD13 ILE B 43 8.528 2.505 0.514 1.00 0.00 H new ATOM 976 N SER B 44 7.365 -0.160 -2.543 1.00 0.00 N ATOM 977 CA SER B 44 6.806 -1.274 -3.284 1.00 0.00 C ATOM 978 C SER B 44 6.362 -2.360 -2.315 1.00 0.00 C ATOM 979 O SER B 44 7.184 -3.115 -1.796 1.00 0.00 O ATOM 980 CB SER B 44 7.831 -1.828 -4.282 1.00 0.00 C ATOM 981 OG SER B 44 7.308 -2.938 -4.998 1.00 0.00 O ATOM 0 H SER B 44 7.839 -0.426 -1.680 1.00 0.00 H new ATOM 0 HA SER B 44 5.941 -0.926 -3.849 1.00 0.00 H new ATOM 0 HB2 SER B 44 8.120 -1.044 -4.982 1.00 0.00 H new ATOM 0 HB3 SER B 44 8.734 -2.129 -3.750 1.00 0.00 H new ATOM 0 HG SER B 44 7.983 -3.269 -5.627 1.00 0.00 H new ATOM 987 N HIS B 45 5.067 -2.422 -2.061 1.00 0.00 N ATOM 988 CA HIS B 45 4.515 -3.419 -1.155 1.00 0.00 C ATOM 989 C HIS B 45 3.461 -4.230 -1.877 1.00 0.00 C ATOM 990 O HIS B 45 2.655 -3.679 -2.628 1.00 0.00 O ATOM 991 CB HIS B 45 3.892 -2.763 0.085 1.00 0.00 C ATOM 992 CG HIS B 45 4.815 -1.838 0.814 1.00 0.00 C ATOM 993 ND1 HIS B 45 5.724 -2.244 1.764 1.00 0.00 N ATOM 994 CD2 HIS B 45 4.963 -0.495 0.700 1.00 0.00 C ATOM 995 CE1 HIS B 45 6.388 -1.160 2.186 1.00 0.00 C ATOM 996 NE2 HIS B 45 5.965 -0.073 1.569 1.00 0.00 N ATOM 0 H HIS B 45 4.375 -1.793 -2.469 1.00 0.00 H new ATOM 0 HA HIS B 45 5.328 -4.067 -0.827 1.00 0.00 H new ATOM 0 HB2 HIS B 45 3.004 -2.209 -0.218 1.00 0.00 H new ATOM 0 HB3 HIS B 45 3.562 -3.544 0.770 1.00 0.00 H new ATOM 0 HD1 HIS B 45 5.867 -3.200 2.089 1.00 0.00 H new ATOM 0 HD2 HIS B 45 4.395 0.144 0.041 1.00 0.00 H new ATOM 0 HE1 HIS B 45 7.168 -1.174 2.933 1.00 0.00 H new ATOM 1004 N MET B 46 3.464 -5.531 -1.664 1.00 0.00 N ATOM 1005 CA MET B 46 2.493 -6.391 -2.306 1.00 0.00 C ATOM 1006 C MET B 46 1.228 -6.428 -1.470 1.00 0.00 C ATOM 1007 O MET B 46 1.292 -6.438 -0.245 1.00 0.00 O ATOM 1008 CB MET B 46 3.045 -7.810 -2.483 1.00 0.00 C ATOM 1009 CG MET B 46 4.407 -7.865 -3.159 1.00 0.00 C ATOM 1010 SD MET B 46 4.335 -7.472 -4.919 1.00 0.00 S ATOM 1011 CE MET B 46 3.296 -8.802 -5.521 1.00 0.00 C ATOM 0 H MET B 46 4.125 -6.013 -1.054 1.00 0.00 H new ATOM 0 HA MET B 46 2.271 -5.991 -3.295 1.00 0.00 H new ATOM 0 HB2 MET B 46 3.117 -8.285 -1.505 1.00 0.00 H new ATOM 0 HB3 MET B 46 2.336 -8.394 -3.070 1.00 0.00 H new ATOM 0 HG2 MET B 46 5.081 -7.167 -2.663 1.00 0.00 H new ATOM 0 HG3 MET B 46 4.830 -8.861 -3.032 1.00 0.00 H new ATOM 0 HE1 MET B 46 3.491 -8.965 -6.581 1.00 0.00 H new ATOM 0 HE2 MET B 46 3.516 -9.715 -4.967 1.00 0.00 H new ATOM 0 HE3 MET B 46 2.248 -8.537 -5.381 1.00 0.00 H new ATOM 1021 N TYR B 47 0.082 -6.428 -2.133 1.00 0.00 N ATOM 1022 CA TYR B 47 -1.213 -6.477 -1.449 1.00 0.00 C ATOM 1023 C TYR B 47 -1.304 -7.719 -0.564 1.00 0.00 C ATOM 1024 O TYR B 47 -2.054 -7.749 0.407 1.00 0.00 O ATOM 1025 CB TYR B 47 -2.332 -6.482 -2.489 1.00 0.00 C ATOM 1026 CG TYR B 47 -2.348 -5.236 -3.343 1.00 0.00 C ATOM 1027 CD1 TYR B 47 -2.692 -5.292 -4.683 1.00 0.00 C ATOM 1028 CD2 TYR B 47 -2.005 -4.001 -2.806 1.00 0.00 C ATOM 1029 CE1 TYR B 47 -2.694 -4.155 -5.465 1.00 0.00 C ATOM 1030 CE2 TYR B 47 -2.007 -2.860 -3.581 1.00 0.00 C ATOM 1031 CZ TYR B 47 -2.352 -2.942 -4.908 1.00 0.00 C ATOM 1032 OH TYR B 47 -2.352 -1.807 -5.686 1.00 0.00 O ATOM 0 H TYR B 47 0.016 -6.395 -3.150 1.00 0.00 H new ATOM 0 HA TYR B 47 -1.316 -5.599 -0.812 1.00 0.00 H new ATOM 0 HB2 TYR B 47 -2.220 -7.355 -3.132 1.00 0.00 H new ATOM 0 HB3 TYR B 47 -3.292 -6.581 -1.982 1.00 0.00 H new ATOM 0 HD1 TYR B 47 -2.963 -6.240 -5.123 1.00 0.00 H new ATOM 0 HD2 TYR B 47 -1.732 -3.933 -1.763 1.00 0.00 H new ATOM 0 HE1 TYR B 47 -2.963 -4.216 -6.509 1.00 0.00 H new ATOM 0 HE2 TYR B 47 -1.739 -1.908 -3.147 1.00 0.00 H new ATOM 0 HH TYR B 47 -2.122 -2.043 -6.609 1.00 0.00 H new ATOM 1042 N ALA B 48 -0.501 -8.724 -0.896 1.00 0.00 N ATOM 1043 CA ALA B 48 -0.475 -9.974 -0.150 1.00 0.00 C ATOM 1044 C ALA B 48 0.203 -9.810 1.208 1.00 0.00 C ATOM 1045 O ALA B 48 -0.036 -10.602 2.110 1.00 0.00 O ATOM 1046 CB ALA B 48 0.229 -11.051 -0.962 1.00 0.00 C ATOM 0 H ALA B 48 0.145 -8.695 -1.684 1.00 0.00 H new ATOM 0 HA ALA B 48 -1.507 -10.274 0.032 1.00 0.00 H new ATOM 0 HB1 ALA B 48 0.244 -11.982 -0.396 1.00 0.00 H new ATOM 0 HB2 ALA B 48 -0.303 -11.205 -1.901 1.00 0.00 H new ATOM 0 HB3 ALA B 48 1.252 -10.738 -1.172 1.00 0.00 H new ATOM 1052 N ASP B 49 1.044 -8.784 1.345 1.00 0.00 N ATOM 1053 CA ASP B 49 1.749 -8.529 2.596 1.00 0.00 C ATOM 1054 C ASP B 49 0.999 -7.493 3.415 1.00 0.00 C ATOM 1055 O ASP B 49 1.355 -7.207 4.563 1.00 0.00 O ATOM 1056 CB ASP B 49 3.150 -7.983 2.369 1.00 0.00 C ATOM 1057 CG ASP B 49 3.807 -8.428 1.075 1.00 0.00 C ATOM 1058 OD1 ASP B 49 3.887 -9.647 0.822 1.00 0.00 O ATOM 1059 OD2 ASP B 49 4.253 -7.541 0.306 1.00 0.00 O ATOM 0 H ASP B 49 1.252 -8.117 0.602 1.00 0.00 H new ATOM 0 HA ASP B 49 1.811 -9.487 3.113 1.00 0.00 H new ATOM 0 HB2 ASP B 49 3.106 -6.894 2.382 1.00 0.00 H new ATOM 0 HB3 ASP B 49 3.782 -8.286 3.204 1.00 0.00 H new ATOM 1064 N ILE B 50 -0.031 -6.918 2.829 1.00 0.00 N ATOM 1065 CA ILE B 50 -0.810 -5.915 3.521 1.00 0.00 C ATOM 1066 C ILE B 50 -1.901 -6.613 4.325 1.00 0.00 C ATOM 1067 O ILE B 50 -2.764 -7.277 3.758 1.00 0.00 O ATOM 1068 CB ILE B 50 -1.464 -4.912 2.542 1.00 0.00 C ATOM 1069 CG1 ILE B 50 -0.525 -4.577 1.375 1.00 0.00 C ATOM 1070 CG2 ILE B 50 -1.876 -3.646 3.272 1.00 0.00 C ATOM 1071 CD1 ILE B 50 0.647 -3.695 1.742 1.00 0.00 C ATOM 0 H ILE B 50 -0.346 -7.127 1.882 1.00 0.00 H new ATOM 0 HA ILE B 50 -0.140 -5.354 4.173 1.00 0.00 H new ATOM 0 HB ILE B 50 -2.356 -5.384 2.129 1.00 0.00 H new ATOM 0 HG12 ILE B 50 -0.144 -5.507 0.954 1.00 0.00 H new ATOM 0 HG13 ILE B 50 -1.102 -4.085 0.592 1.00 0.00 H new ATOM 0 HG21 ILE B 50 -2.334 -2.952 2.567 1.00 0.00 H new ATOM 0 HG22 ILE B 50 -2.593 -3.894 4.055 1.00 0.00 H new ATOM 0 HG23 ILE B 50 -0.997 -3.181 3.719 1.00 0.00 H new ATOM 0 HD11 ILE B 50 1.255 -3.511 0.856 1.00 0.00 H new ATOM 0 HD12 ILE B 50 0.280 -2.746 2.134 1.00 0.00 H new ATOM 0 HD13 ILE B 50 1.252 -4.191 2.501 1.00 0.00 H new ATOM 1083 N LYS B 51 -1.871 -6.457 5.641 1.00 0.00 N ATOM 1084 CA LYS B 51 -2.846 -7.102 6.503 1.00 0.00 C ATOM 1085 C LYS B 51 -4.143 -6.317 6.481 1.00 0.00 C ATOM 1086 O LYS B 51 -5.227 -6.872 6.651 1.00 0.00 O ATOM 1087 CB LYS B 51 -2.316 -7.202 7.931 1.00 0.00 C ATOM 1088 CG LYS B 51 -3.313 -7.814 8.897 1.00 0.00 C ATOM 1089 CD LYS B 51 -3.728 -6.814 9.951 1.00 0.00 C ATOM 1090 CE LYS B 51 -5.147 -7.068 10.448 1.00 0.00 C ATOM 1091 NZ LYS B 51 -6.156 -6.887 9.370 1.00 0.00 N ATOM 0 H LYS B 51 -1.181 -5.889 6.133 1.00 0.00 H new ATOM 0 HA LYS B 51 -3.030 -8.111 6.134 1.00 0.00 H new ATOM 0 HB2 LYS B 51 -1.405 -7.800 7.932 1.00 0.00 H new ATOM 0 HB3 LYS B 51 -2.045 -6.206 8.281 1.00 0.00 H new ATOM 0 HG2 LYS B 51 -4.191 -8.157 8.350 1.00 0.00 H new ATOM 0 HG3 LYS B 51 -2.872 -8.689 9.374 1.00 0.00 H new ATOM 0 HD2 LYS B 51 -3.035 -6.863 10.791 1.00 0.00 H new ATOM 0 HD3 LYS B 51 -3.662 -5.806 9.541 1.00 0.00 H new ATOM 0 HE2 LYS B 51 -5.217 -8.081 10.843 1.00 0.00 H new ATOM 0 HE3 LYS B 51 -5.370 -6.389 11.271 1.00 0.00 H new ATOM 0 HZ1 LYS B 51 -6.705 -6.022 9.550 1.00 0.00 H new ATOM 0 HZ2 LYS B 51 -5.673 -6.805 8.453 1.00 0.00 H new ATOM 0 HZ3 LYS B 51 -6.796 -7.706 9.352 1.00 0.00 H new ATOM 1105 N CYS B 52 -4.006 -5.018 6.295 1.00 0.00 N ATOM 1106 CA CYS B 52 -5.129 -4.111 6.232 1.00 0.00 C ATOM 1107 C CYS B 52 -4.615 -2.720 5.914 1.00 0.00 C ATOM 1108 O CYS B 52 -3.406 -2.502 5.862 1.00 0.00 O ATOM 1109 CB CYS B 52 -5.878 -4.110 7.558 1.00 0.00 C ATOM 1110 SG CYS B 52 -4.828 -3.838 9.001 1.00 0.00 S ATOM 0 H CYS B 52 -3.101 -4.561 6.183 1.00 0.00 H new ATOM 0 HA CYS B 52 -5.820 -4.432 5.452 1.00 0.00 H new ATOM 0 HB2 CYS B 52 -6.644 -3.335 7.529 1.00 0.00 H new ATOM 0 HB3 CYS B 52 -6.393 -5.064 7.672 1.00 0.00 H new ATOM 0 HG CYS B 52 -4.594 -2.566 9.134 1.00 0.00 H new ATOM 1116 N GLN B 53 -5.507 -1.786 5.692 1.00 0.00 N ATOM 1117 CA GLN B 53 -5.099 -0.436 5.390 1.00 0.00 C ATOM 1118 C GLN B 53 -5.886 0.553 6.238 1.00 0.00 C ATOM 1119 O GLN B 53 -7.088 0.390 6.431 1.00 0.00 O ATOM 1120 CB GLN B 53 -5.275 -0.117 3.903 1.00 0.00 C ATOM 1121 CG GLN B 53 -6.722 0.056 3.449 1.00 0.00 C ATOM 1122 CD GLN B 53 -7.410 -1.253 3.091 1.00 0.00 C ATOM 1123 OE1 GLN B 53 -7.144 -2.303 3.669 1.00 0.00 O ATOM 1124 NE2 GLN B 53 -8.302 -1.197 2.119 1.00 0.00 N ATOM 0 H GLN B 53 -6.516 -1.934 5.714 1.00 0.00 H new ATOM 0 HA GLN B 53 -4.039 -0.346 5.627 1.00 0.00 H new ATOM 0 HB2 GLN B 53 -4.726 0.797 3.675 1.00 0.00 H new ATOM 0 HB3 GLN B 53 -4.819 -0.916 3.319 1.00 0.00 H new ATOM 0 HG2 GLN B 53 -7.286 0.548 4.241 1.00 0.00 H new ATOM 0 HG3 GLN B 53 -6.745 0.718 2.583 1.00 0.00 H new ATOM 0 HE21 GLN B 53 -8.500 -0.308 1.659 1.00 0.00 H new ATOM 0 HE22 GLN B 53 -8.793 -2.042 1.828 1.00 0.00 H new ATOM 1133 N LYS B 54 -5.212 1.562 6.758 1.00 0.00 N ATOM 1134 CA LYS B 54 -5.885 2.565 7.562 1.00 0.00 C ATOM 1135 C LYS B 54 -6.046 3.834 6.754 1.00 0.00 C ATOM 1136 O LYS B 54 -5.224 4.135 5.892 1.00 0.00 O ATOM 1137 CB LYS B 54 -5.101 2.952 8.818 1.00 0.00 C ATOM 1138 CG LYS B 54 -4.964 1.909 9.905 1.00 0.00 C ATOM 1139 CD LYS B 54 -4.460 2.587 11.170 1.00 0.00 C ATOM 1140 CE LYS B 54 -4.300 1.648 12.352 1.00 0.00 C ATOM 1141 NZ LYS B 54 -3.316 0.566 12.083 1.00 0.00 N ATOM 0 H LYS B 54 -4.209 1.708 6.640 1.00 0.00 H new ATOM 0 HA LYS B 54 -6.839 2.126 7.855 1.00 0.00 H new ATOM 0 HB2 LYS B 54 -4.099 3.251 8.510 1.00 0.00 H new ATOM 0 HB3 LYS B 54 -5.576 3.831 9.253 1.00 0.00 H new ATOM 0 HG2 LYS B 54 -5.924 1.428 10.091 1.00 0.00 H new ATOM 0 HG3 LYS B 54 -4.271 1.127 9.594 1.00 0.00 H new ATOM 0 HD2 LYS B 54 -3.499 3.057 10.960 1.00 0.00 H new ATOM 0 HD3 LYS B 54 -5.152 3.384 11.443 1.00 0.00 H new ATOM 0 HE2 LYS B 54 -3.981 2.217 13.225 1.00 0.00 H new ATOM 0 HE3 LYS B 54 -5.266 1.206 12.595 1.00 0.00 H new ATOM 0 HZ1 LYS B 54 -2.824 0.317 12.965 1.00 0.00 H new ATOM 0 HZ2 LYS B 54 -3.812 -0.271 11.715 1.00 0.00 H new ATOM 0 HZ3 LYS B 54 -2.623 0.894 11.381 1.00 0.00 H new ATOM 1155 N ILE B 55 -7.102 4.566 7.022 1.00 0.00 N ATOM 1156 CA ILE B 55 -7.315 5.839 6.376 1.00 0.00 C ATOM 1157 C ILE B 55 -7.549 6.865 7.478 1.00 0.00 C ATOM 1158 O ILE B 55 -8.347 6.632 8.391 1.00 0.00 O ATOM 1159 CB ILE B 55 -8.484 5.827 5.341 1.00 0.00 C ATOM 1160 CG1 ILE B 55 -9.831 6.206 5.959 1.00 0.00 C ATOM 1161 CG2 ILE B 55 -8.596 4.457 4.685 1.00 0.00 C ATOM 1162 CD1 ILE B 55 -10.737 6.936 4.989 1.00 0.00 C ATOM 0 H ILE B 55 -7.829 4.300 7.686 1.00 0.00 H new ATOM 0 HA ILE B 55 -6.435 6.091 5.784 1.00 0.00 H new ATOM 0 HB ILE B 55 -8.243 6.583 4.594 1.00 0.00 H new ATOM 0 HG12 ILE B 55 -10.332 5.303 6.308 1.00 0.00 H new ATOM 0 HG13 ILE B 55 -9.661 6.834 6.833 1.00 0.00 H new ATOM 0 HG21 ILE B 55 -9.415 4.464 3.966 1.00 0.00 H new ATOM 0 HG22 ILE B 55 -7.664 4.222 4.171 1.00 0.00 H new ATOM 0 HG23 ILE B 55 -8.789 3.703 5.448 1.00 0.00 H new ATOM 0 HD11 ILE B 55 -11.678 7.179 5.483 1.00 0.00 H new ATOM 0 HD12 ILE B 55 -10.252 7.855 4.659 1.00 0.00 H new ATOM 0 HD13 ILE B 55 -10.934 6.300 4.126 1.00 0.00 H new ATOM 1174 N SER B 56 -6.795 7.950 7.460 1.00 0.00 N ATOM 1175 CA SER B 56 -6.947 8.964 8.478 1.00 0.00 C ATOM 1176 C SER B 56 -8.009 9.946 8.023 1.00 0.00 C ATOM 1177 O SER B 56 -7.855 10.622 6.981 1.00 0.00 O ATOM 1178 CB SER B 56 -5.618 9.655 8.795 1.00 0.00 C ATOM 1179 OG SER B 56 -5.409 10.798 7.995 1.00 0.00 O ATOM 0 H SER B 56 -6.081 8.147 6.759 1.00 0.00 H new ATOM 0 HA SER B 56 -7.266 8.499 9.411 1.00 0.00 H new ATOM 0 HB2 SER B 56 -5.601 9.941 9.847 1.00 0.00 H new ATOM 0 HB3 SER B 56 -4.799 8.952 8.643 1.00 0.00 H new ATOM 0 HG SER B 56 -4.745 11.379 8.422 1.00 0.00 H new ATOM 1185 N PRO B 57 -9.098 9.988 8.806 1.00 0.00 N ATOM 1186 CA PRO B 57 -10.287 10.811 8.558 1.00 0.00 C ATOM 1187 C PRO B 57 -10.068 12.304 8.737 1.00 0.00 C ATOM 1188 O PRO B 57 -8.998 12.759 9.151 1.00 0.00 O ATOM 1189 CB PRO B 57 -11.282 10.311 9.608 1.00 0.00 C ATOM 1190 CG PRO B 57 -10.424 9.833 10.722 1.00 0.00 C ATOM 1191 CD PRO B 57 -9.232 9.218 10.059 1.00 0.00 C ATOM 0 HA PRO B 57 -10.611 10.710 7.522 1.00 0.00 H new ATOM 0 HB2 PRO B 57 -11.951 11.107 9.934 1.00 0.00 H new ATOM 0 HB3 PRO B 57 -11.908 9.510 9.215 1.00 0.00 H new ATOM 0 HG2 PRO B 57 -10.131 10.655 11.375 1.00 0.00 H new ATOM 0 HG3 PRO B 57 -10.950 9.106 11.341 1.00 0.00 H new ATOM 0 HD2 PRO B 57 -8.340 9.303 10.679 1.00 0.00 H new ATOM 0 HD3 PRO B 57 -9.385 8.157 9.863 1.00 0.00 H new ATOM 1199 N GLU B 58 -11.101 13.052 8.378 1.00 0.00 N ATOM 1200 CA GLU B 58 -11.105 14.496 8.495 1.00 0.00 C ATOM 1201 C GLU B 58 -10.927 14.904 9.956 1.00 0.00 C ATOM 1202 O GLU B 58 -11.182 14.121 10.871 1.00 0.00 O ATOM 1203 CB GLU B 58 -12.414 15.069 7.933 1.00 0.00 C ATOM 1204 CG GLU B 58 -12.535 14.974 6.414 1.00 0.00 C ATOM 1205 CD GLU B 58 -12.410 13.552 5.893 1.00 0.00 C ATOM 1206 OE1 GLU B 58 -11.679 13.339 4.905 1.00 0.00 O ATOM 1207 OE2 GLU B 58 -13.014 12.640 6.492 1.00 0.00 O ATOM 0 H GLU B 58 -11.965 12.667 7.995 1.00 0.00 H new ATOM 0 HA GLU B 58 -10.274 14.900 7.917 1.00 0.00 H new ATOM 0 HB2 GLU B 58 -13.253 14.542 8.387 1.00 0.00 H new ATOM 0 HB3 GLU B 58 -12.497 16.115 8.229 1.00 0.00 H new ATOM 0 HG2 GLU B 58 -13.497 15.384 6.106 1.00 0.00 H new ATOM 0 HG3 GLU B 58 -11.763 15.592 5.955 1.00 0.00 H new ATOM 1214 N GLY B 59 -10.515 16.138 10.161 1.00 0.00 N ATOM 1215 CA GLY B 59 -10.264 16.633 11.498 1.00 0.00 C ATOM 1216 C GLY B 59 -8.792 16.907 11.660 1.00 0.00 C ATOM 1217 O GLY B 59 -8.384 17.788 12.415 1.00 0.00 O ATOM 0 H GLY B 59 -10.347 16.817 9.418 1.00 0.00 H new ATOM 0 HA2 GLY B 59 -10.837 17.544 11.674 1.00 0.00 H new ATOM 0 HA3 GLY B 59 -10.593 15.902 12.236 1.00 0.00 H new ATOM 1221 N LYS B 60 -8.000 16.147 10.918 1.00 0.00 N ATOM 1222 CA LYS B 60 -6.565 16.322 10.898 1.00 0.00 C ATOM 1223 C LYS B 60 -6.235 17.337 9.828 1.00 0.00 C ATOM 1224 O LYS B 60 -6.978 17.484 8.856 1.00 0.00 O ATOM 1225 CB LYS B 60 -5.843 14.998 10.600 1.00 0.00 C ATOM 1226 CG LYS B 60 -5.493 14.189 11.838 1.00 0.00 C ATOM 1227 CD LYS B 60 -4.685 12.939 11.489 1.00 0.00 C ATOM 1228 CE LYS B 60 -4.094 12.281 12.732 1.00 0.00 C ATOM 1229 NZ LYS B 60 -4.793 12.706 13.975 1.00 0.00 N ATOM 0 H LYS B 60 -8.338 15.396 10.317 1.00 0.00 H new ATOM 0 HA LYS B 60 -6.229 16.665 11.877 1.00 0.00 H new ATOM 0 HB2 LYS B 60 -6.473 14.392 9.949 1.00 0.00 H new ATOM 0 HB3 LYS B 60 -4.928 15.212 10.048 1.00 0.00 H new ATOM 0 HG2 LYS B 60 -4.922 14.810 12.529 1.00 0.00 H new ATOM 0 HG3 LYS B 60 -6.409 13.898 12.353 1.00 0.00 H new ATOM 0 HD2 LYS B 60 -5.325 12.226 10.970 1.00 0.00 H new ATOM 0 HD3 LYS B 60 -3.882 13.205 10.802 1.00 0.00 H new ATOM 0 HE2 LYS B 60 -4.157 11.197 12.633 1.00 0.00 H new ATOM 0 HE3 LYS B 60 -3.036 12.533 12.807 1.00 0.00 H new ATOM 0 HZ1 LYS B 60 -4.556 12.052 14.748 1.00 0.00 H new ATOM 0 HZ2 LYS B 60 -4.492 13.668 14.231 1.00 0.00 H new ATOM 0 HZ3 LYS B 60 -5.821 12.696 13.816 1.00 0.00 H new ATOM 1243 N ALA B 61 -5.136 18.042 10.004 1.00 0.00 N ATOM 1244 CA ALA B 61 -4.718 19.041 9.036 1.00 0.00 C ATOM 1245 C ALA B 61 -4.267 18.390 7.748 1.00 0.00 C ATOM 1246 O ALA B 61 -4.020 19.062 6.749 1.00 0.00 O ATOM 1247 CB ALA B 61 -3.590 19.867 9.601 1.00 0.00 C ATOM 0 H ALA B 61 -4.515 17.943 10.807 1.00 0.00 H new ATOM 0 HA ALA B 61 -5.572 19.684 8.823 1.00 0.00 H new ATOM 0 HB1 ALA B 61 -3.283 20.613 8.868 1.00 0.00 H new ATOM 0 HB2 ALA B 61 -3.925 20.367 10.510 1.00 0.00 H new ATOM 0 HB3 ALA B 61 -2.745 19.219 9.834 1.00 0.00 H new ATOM 1253 N LYS B 62 -4.151 17.080 7.781 1.00 0.00 N ATOM 1254 CA LYS B 62 -3.728 16.348 6.623 1.00 0.00 C ATOM 1255 C LYS B 62 -4.493 15.038 6.509 1.00 0.00 C ATOM 1256 O LYS B 62 -4.773 14.380 7.512 1.00 0.00 O ATOM 1257 CB LYS B 62 -2.225 16.075 6.677 1.00 0.00 C ATOM 1258 CG LYS B 62 -1.759 15.421 7.971 1.00 0.00 C ATOM 1259 CD LYS B 62 -1.175 16.440 8.936 1.00 0.00 C ATOM 1260 CE LYS B 62 -0.806 15.793 10.258 1.00 0.00 C ATOM 1261 NZ LYS B 62 -0.270 16.778 11.237 1.00 0.00 N ATOM 0 H LYS B 62 -4.346 16.506 8.601 1.00 0.00 H new ATOM 0 HA LYS B 62 -3.941 16.955 5.743 1.00 0.00 H new ATOM 0 HB2 LYS B 62 -1.953 15.433 5.839 1.00 0.00 H new ATOM 0 HB3 LYS B 62 -1.691 17.016 6.545 1.00 0.00 H new ATOM 0 HG2 LYS B 62 -2.598 14.911 8.444 1.00 0.00 H new ATOM 0 HG3 LYS B 62 -1.010 14.662 7.746 1.00 0.00 H new ATOM 0 HD2 LYS B 62 -0.291 16.899 8.493 1.00 0.00 H new ATOM 0 HD3 LYS B 62 -1.897 17.238 9.107 1.00 0.00 H new ATOM 0 HE2 LYS B 62 -1.685 15.306 10.680 1.00 0.00 H new ATOM 0 HE3 LYS B 62 -0.063 15.015 10.085 1.00 0.00 H new ATOM 0 HZ1 LYS B 62 0.663 16.463 11.571 1.00 0.00 H new ATOM 0 HZ2 LYS B 62 -0.179 17.708 10.780 1.00 0.00 H new ATOM 0 HZ3 LYS B 62 -0.920 16.852 12.046 1.00 0.00 H new ATOM 1275 N ILE B 63 -4.845 14.682 5.290 1.00 0.00 N ATOM 1276 CA ILE B 63 -5.548 13.441 5.022 1.00 0.00 C ATOM 1277 C ILE B 63 -4.507 12.344 4.861 1.00 0.00 C ATOM 1278 O ILE B 63 -3.496 12.563 4.201 1.00 0.00 O ATOM 1279 CB ILE B 63 -6.408 13.571 3.748 1.00 0.00 C ATOM 1280 CG1 ILE B 63 -7.599 14.493 4.011 1.00 0.00 C ATOM 1281 CG2 ILE B 63 -6.883 12.215 3.263 1.00 0.00 C ATOM 1282 CD1 ILE B 63 -7.380 15.926 3.570 1.00 0.00 C ATOM 0 H ILE B 63 -4.653 15.242 4.459 1.00 0.00 H new ATOM 0 HA ILE B 63 -6.221 13.201 5.845 1.00 0.00 H new ATOM 0 HB ILE B 63 -5.789 14.006 2.963 1.00 0.00 H new ATOM 0 HG12 ILE B 63 -8.474 14.095 3.496 1.00 0.00 H new ATOM 0 HG13 ILE B 63 -7.825 14.483 5.077 1.00 0.00 H new ATOM 0 HG21 ILE B 63 -7.486 12.341 2.364 1.00 0.00 H new ATOM 0 HG22 ILE B 63 -6.021 11.587 3.037 1.00 0.00 H new ATOM 0 HG23 ILE B 63 -7.483 11.741 4.039 1.00 0.00 H new ATOM 0 HD11 ILE B 63 -8.270 16.515 3.791 1.00 0.00 H new ATOM 0 HD12 ILE B 63 -6.526 16.344 4.103 1.00 0.00 H new ATOM 0 HD13 ILE B 63 -7.186 15.951 2.498 1.00 0.00 H new ATOM 1294 N GLN B 64 -4.707 11.176 5.460 1.00 0.00 N ATOM 1295 CA GLN B 64 -3.673 10.141 5.358 1.00 0.00 C ATOM 1296 C GLN B 64 -4.219 8.743 5.152 1.00 0.00 C ATOM 1297 O GLN B 64 -5.403 8.475 5.330 1.00 0.00 O ATOM 1298 CB GLN B 64 -2.791 10.120 6.606 1.00 0.00 C ATOM 1299 CG GLN B 64 -2.299 11.479 7.059 1.00 0.00 C ATOM 1300 CD GLN B 64 -1.786 11.446 8.479 1.00 0.00 C ATOM 1301 OE1 GLN B 64 -2.286 10.496 9.267 1.00 0.00 O flip ATOM 1302 NE2 GLN B 64 -0.949 12.262 8.866 1.00 0.00 N flip ATOM 0 H GLN B 64 -5.535 10.923 6.000 1.00 0.00 H new ATOM 0 HA GLN B 64 -3.097 10.413 4.473 1.00 0.00 H new ATOM 0 HB2 GLN B 64 -3.350 9.661 7.421 1.00 0.00 H new ATOM 0 HB3 GLN B 64 -1.928 9.483 6.413 1.00 0.00 H new ATOM 0 HG2 GLN B 64 -1.505 11.818 6.394 1.00 0.00 H new ATOM 0 HG3 GLN B 64 -3.110 12.203 6.982 1.00 0.00 H new ATOM 0 HE21 GLN B 64 -0.595 12.972 8.225 1.00 0.00 H new ATOM 0 HE22 GLN B 64 -0.610 12.228 9.827 1.00 0.00 H new ATOM 1311 N LEU B 65 -3.325 7.875 4.718 1.00 0.00 N ATOM 1312 CA LEU B 65 -3.614 6.471 4.509 1.00 0.00 C ATOM 1313 C LEU B 65 -2.418 5.676 5.017 1.00 0.00 C ATOM 1314 O LEU B 65 -1.327 6.211 5.061 1.00 0.00 O ATOM 1315 CB LEU B 65 -3.793 6.175 3.028 1.00 0.00 C ATOM 1316 CG LEU B 65 -4.667 4.971 2.712 1.00 0.00 C ATOM 1317 CD1 LEU B 65 -6.109 5.400 2.532 1.00 0.00 C ATOM 1318 CD2 LEU B 65 -4.146 4.249 1.489 1.00 0.00 C ATOM 0 H LEU B 65 -2.363 8.131 4.498 1.00 0.00 H new ATOM 0 HA LEU B 65 -4.531 6.204 5.034 1.00 0.00 H new ATOM 0 HB2 LEU B 65 -4.224 7.053 2.547 1.00 0.00 H new ATOM 0 HB3 LEU B 65 -2.810 6.018 2.583 1.00 0.00 H new ATOM 0 HG LEU B 65 -4.629 4.275 3.550 1.00 0.00 H new ATOM 0 HD11 LEU B 65 -6.723 4.528 2.306 1.00 0.00 H new ATOM 0 HD12 LEU B 65 -6.467 5.868 3.449 1.00 0.00 H new ATOM 0 HD13 LEU B 65 -6.177 6.113 1.711 1.00 0.00 H new ATOM 0 HD21 LEU B 65 -4.782 3.390 1.275 1.00 0.00 H new ATOM 0 HD22 LEU B 65 -4.153 4.927 0.636 1.00 0.00 H new ATOM 0 HD23 LEU B 65 -3.127 3.909 1.674 1.00 0.00 H new ATOM 1330 N GLN B 66 -2.599 4.439 5.442 1.00 0.00 N ATOM 1331 CA GLN B 66 -1.455 3.654 5.894 1.00 0.00 C ATOM 1332 C GLN B 66 -1.638 2.181 5.571 1.00 0.00 C ATOM 1333 O GLN B 66 -2.745 1.647 5.632 1.00 0.00 O ATOM 1334 CB GLN B 66 -1.181 3.845 7.396 1.00 0.00 C ATOM 1335 CG GLN B 66 -1.898 2.853 8.296 1.00 0.00 C ATOM 1336 CD GLN B 66 -1.444 2.912 9.745 1.00 0.00 C ATOM 1337 OE1 GLN B 66 -1.465 1.904 10.452 1.00 0.00 O ATOM 1338 NE2 GLN B 66 -1.056 4.085 10.209 1.00 0.00 N ATOM 0 H GLN B 66 -3.500 3.962 5.485 1.00 0.00 H new ATOM 0 HA GLN B 66 -0.585 4.022 5.350 1.00 0.00 H new ATOM 0 HB2 GLN B 66 -0.108 3.765 7.570 1.00 0.00 H new ATOM 0 HB3 GLN B 66 -1.476 4.855 7.681 1.00 0.00 H new ATOM 0 HG2 GLN B 66 -2.970 3.043 8.251 1.00 0.00 H new ATOM 0 HG3 GLN B 66 -1.737 1.845 7.914 1.00 0.00 H new ATOM 0 HE21 GLN B 66 -1.051 4.900 9.595 1.00 0.00 H new ATOM 0 HE22 GLN B 66 -0.761 4.177 11.181 1.00 0.00 H new ATOM 1347 N LEU B 67 -0.545 1.543 5.211 1.00 0.00 N ATOM 1348 CA LEU B 67 -0.542 0.131 4.885 1.00 0.00 C ATOM 1349 C LEU B 67 -0.147 -0.680 6.104 1.00 0.00 C ATOM 1350 O LEU B 67 1.024 -0.733 6.460 1.00 0.00 O ATOM 1351 CB LEU B 67 0.455 -0.153 3.767 1.00 0.00 C ATOM 1352 CG LEU B 67 0.175 0.530 2.433 1.00 0.00 C ATOM 1353 CD1 LEU B 67 1.312 0.249 1.468 1.00 0.00 C ATOM 1354 CD2 LEU B 67 -1.150 0.054 1.855 1.00 0.00 C ATOM 0 H LEU B 67 0.369 1.989 5.136 1.00 0.00 H new ATOM 0 HA LEU B 67 -1.545 -0.147 4.560 1.00 0.00 H new ATOM 0 HB2 LEU B 67 1.446 0.148 4.106 1.00 0.00 H new ATOM 0 HB3 LEU B 67 0.488 -1.230 3.601 1.00 0.00 H new ATOM 0 HG LEU B 67 0.104 1.606 2.593 1.00 0.00 H new ATOM 0 HD11 LEU B 67 1.110 0.738 0.515 1.00 0.00 H new ATOM 0 HD12 LEU B 67 2.244 0.633 1.882 1.00 0.00 H new ATOM 0 HD13 LEU B 67 1.400 -0.826 1.312 1.00 0.00 H new ATOM 0 HD21 LEU B 67 -1.332 0.553 0.903 1.00 0.00 H new ATOM 0 HD22 LEU B 67 -1.112 -1.024 1.698 1.00 0.00 H new ATOM 0 HD23 LEU B 67 -1.956 0.292 2.549 1.00 0.00 H new ATOM 1366 N VAL B 68 -1.113 -1.295 6.747 1.00 0.00 N ATOM 1367 CA VAL B 68 -0.834 -2.105 7.915 1.00 0.00 C ATOM 1368 C VAL B 68 -0.497 -3.509 7.465 1.00 0.00 C ATOM 1369 O VAL B 68 -1.329 -4.194 6.880 1.00 0.00 O ATOM 1370 CB VAL B 68 -2.028 -2.133 8.875 1.00 0.00 C ATOM 1371 CG1 VAL B 68 -1.631 -2.741 10.206 1.00 0.00 C ATOM 1372 CG2 VAL B 68 -2.567 -0.730 9.065 1.00 0.00 C ATOM 0 H VAL B 68 -2.097 -1.251 6.483 1.00 0.00 H new ATOM 0 HA VAL B 68 0.009 -1.669 8.452 1.00 0.00 H new ATOM 0 HB VAL B 68 -2.812 -2.755 8.444 1.00 0.00 H new ATOM 0 HG11 VAL B 68 -2.493 -2.751 10.873 1.00 0.00 H new ATOM 0 HG12 VAL B 68 -1.281 -3.761 10.050 1.00 0.00 H new ATOM 0 HG13 VAL B 68 -0.833 -2.148 10.653 1.00 0.00 H new ATOM 0 HG21 VAL B 68 -3.416 -0.756 9.748 1.00 0.00 H new ATOM 0 HG22 VAL B 68 -1.786 -0.093 9.480 1.00 0.00 H new ATOM 0 HG23 VAL B 68 -2.888 -0.330 8.103 1.00 0.00 H new ATOM 1382 N LEU B 69 0.721 -3.935 7.718 1.00 0.00 N ATOM 1383 CA LEU B 69 1.160 -5.244 7.280 1.00 0.00 C ATOM 1384 C LEU B 69 1.138 -6.253 8.405 1.00 0.00 C ATOM 1385 O LEU B 69 1.241 -5.899 9.578 1.00 0.00 O ATOM 1386 CB LEU B 69 2.569 -5.152 6.703 1.00 0.00 C ATOM 1387 CG LEU B 69 2.854 -3.856 5.955 1.00 0.00 C ATOM 1388 CD1 LEU B 69 4.230 -3.883 5.345 1.00 0.00 C ATOM 1389 CD2 LEU B 69 1.828 -3.629 4.866 1.00 0.00 C ATOM 0 H LEU B 69 1.424 -3.396 8.223 1.00 0.00 H new ATOM 0 HA LEU B 69 0.464 -5.584 6.513 1.00 0.00 H new ATOM 0 HB2 LEU B 69 3.289 -5.256 7.514 1.00 0.00 H new ATOM 0 HB3 LEU B 69 2.728 -5.992 6.026 1.00 0.00 H new ATOM 0 HG LEU B 69 2.798 -3.040 6.675 1.00 0.00 H new ATOM 0 HD11 LEU B 69 4.412 -2.948 4.816 1.00 0.00 H new ATOM 0 HD12 LEU B 69 4.974 -4.006 6.132 1.00 0.00 H new ATOM 0 HD13 LEU B 69 4.301 -4.716 4.645 1.00 0.00 H new ATOM 0 HD21 LEU B 69 2.051 -2.698 4.345 1.00 0.00 H new ATOM 0 HD22 LEU B 69 1.859 -4.458 4.158 1.00 0.00 H new ATOM 0 HD23 LEU B 69 0.834 -3.568 5.309 1.00 0.00 H new ATOM 1401 N HIS B 70 1.011 -7.522 8.038 1.00 0.00 N ATOM 1402 CA HIS B 70 1.011 -8.596 9.022 1.00 0.00 C ATOM 1403 C HIS B 70 2.443 -8.869 9.447 1.00 0.00 C ATOM 1404 O HIS B 70 2.714 -9.713 10.298 1.00 0.00 O ATOM 1405 CB HIS B 70 0.356 -9.878 8.480 1.00 0.00 C ATOM 1406 CG HIS B 70 0.323 -9.962 6.986 1.00 0.00 C ATOM 1407 ND1 HIS B 70 -0.802 -9.723 6.234 1.00 0.00 N ATOM 1408 CD2 HIS B 70 1.316 -10.223 6.094 1.00 0.00 C ATOM 1409 CE1 HIS B 70 -0.461 -9.829 4.950 1.00 0.00 C ATOM 1410 NE2 HIS B 70 0.806 -10.142 4.821 1.00 0.00 N ATOM 0 H HIS B 70 0.907 -7.831 7.072 1.00 0.00 H new ATOM 0 HA HIS B 70 0.418 -8.280 9.880 1.00 0.00 H new ATOM 0 HB2 HIS B 70 0.895 -10.741 8.870 1.00 0.00 H new ATOM 0 HB3 HIS B 70 -0.664 -9.941 8.859 1.00 0.00 H new ATOM 0 HD1 HIS B 70 -1.731 -9.504 6.594 1.00 0.00 H new ATOM 0 HD2 HIS B 70 2.340 -10.456 6.346 1.00 0.00 H new ATOM 0 HE1 HIS B 70 -1.139 -9.677 4.124 1.00 0.00 H new ATOM 1418 N ALA B 71 3.351 -8.129 8.824 1.00 0.00 N ATOM 1419 CA ALA B 71 4.769 -8.218 9.108 1.00 0.00 C ATOM 1420 C ALA B 71 5.066 -7.552 10.447 1.00 0.00 C ATOM 1421 O ALA B 71 6.128 -7.748 11.035 1.00 0.00 O ATOM 1422 CB ALA B 71 5.553 -7.552 7.986 1.00 0.00 C ATOM 0 H ALA B 71 3.118 -7.446 8.103 1.00 0.00 H new ATOM 0 HA ALA B 71 5.069 -9.264 9.169 1.00 0.00 H new ATOM 0 HB1 ALA B 71 6.620 -7.618 8.199 1.00 0.00 H new ATOM 0 HB2 ALA B 71 5.339 -8.056 7.044 1.00 0.00 H new ATOM 0 HB3 ALA B 71 5.262 -6.504 7.911 1.00 0.00 H new ATOM 1428 N GLY B 72 4.099 -6.770 10.921 1.00 0.00 N ATOM 1429 CA GLY B 72 4.247 -6.076 12.183 1.00 0.00 C ATOM 1430 C GLY B 72 4.567 -4.613 11.988 1.00 0.00 C ATOM 1431 O GLY B 72 4.851 -3.898 12.948 1.00 0.00 O ATOM 0 H GLY B 72 3.211 -6.606 10.447 1.00 0.00 H new ATOM 0 HA2 GLY B 72 3.327 -6.172 12.760 1.00 0.00 H new ATOM 0 HA3 GLY B 72 5.040 -6.546 12.765 1.00 0.00 H new ATOM 1435 N ASP B 73 4.511 -4.163 10.743 1.00 0.00 N ATOM 1436 CA ASP B 73 4.813 -2.774 10.422 1.00 0.00 C ATOM 1437 C ASP B 73 3.687 -2.125 9.635 1.00 0.00 C ATOM 1438 O ASP B 73 2.766 -2.798 9.168 1.00 0.00 O ATOM 1439 CB ASP B 73 6.136 -2.664 9.659 1.00 0.00 C ATOM 1440 CG ASP B 73 6.019 -3.113 8.219 1.00 0.00 C ATOM 1441 OD1 ASP B 73 6.117 -2.250 7.321 1.00 0.00 O ATOM 1442 OD2 ASP B 73 5.826 -4.326 7.989 1.00 0.00 O ATOM 0 H ASP B 73 4.260 -4.738 9.939 1.00 0.00 H new ATOM 0 HA ASP B 73 4.913 -2.236 11.365 1.00 0.00 H new ATOM 0 HB2 ASP B 73 6.481 -1.631 9.686 1.00 0.00 H new ATOM 0 HB3 ASP B 73 6.892 -3.266 10.163 1.00 0.00 H new ATOM 1447 N THR B 74 3.754 -0.805 9.517 1.00 0.00 N ATOM 1448 CA THR B 74 2.749 -0.044 8.800 1.00 0.00 C ATOM 1449 C THR B 74 3.403 1.019 7.915 1.00 0.00 C ATOM 1450 O THR B 74 4.268 1.772 8.367 1.00 0.00 O ATOM 1451 CB THR B 74 1.791 0.661 9.783 1.00 0.00 C ATOM 1452 OG1 THR B 74 2.539 1.411 10.747 1.00 0.00 O ATOM 1453 CG2 THR B 74 0.909 -0.343 10.504 1.00 0.00 C ATOM 0 H THR B 74 4.503 -0.238 9.914 1.00 0.00 H new ATOM 0 HA THR B 74 2.190 -0.746 8.181 1.00 0.00 H new ATOM 0 HB THR B 74 1.156 1.333 9.206 1.00 0.00 H new ATOM 0 HG1 THR B 74 1.922 1.856 11.365 1.00 0.00 H new ATOM 0 HG21 THR B 74 0.245 0.183 11.190 1.00 0.00 H new ATOM 0 HG22 THR B 74 0.315 -0.895 9.775 1.00 0.00 H new ATOM 0 HG23 THR B 74 1.533 -1.039 11.065 1.00 0.00 H new ATOM 1461 N THR B 75 2.985 1.080 6.664 1.00 0.00 N ATOM 1462 CA THR B 75 3.505 2.058 5.724 1.00 0.00 C ATOM 1463 C THR B 75 2.518 3.216 5.585 1.00 0.00 C ATOM 1464 O THR B 75 1.533 3.110 4.859 1.00 0.00 O ATOM 1465 CB THR B 75 3.738 1.417 4.346 1.00 0.00 C ATOM 1466 OG1 THR B 75 4.357 0.133 4.504 1.00 0.00 O ATOM 1467 CG2 THR B 75 4.608 2.308 3.473 1.00 0.00 C ATOM 0 H THR B 75 2.279 0.457 6.272 1.00 0.00 H new ATOM 0 HA THR B 75 4.457 2.429 6.104 1.00 0.00 H new ATOM 0 HB THR B 75 2.772 1.295 3.856 1.00 0.00 H new ATOM 0 HG1 THR B 75 4.216 -0.400 3.694 1.00 0.00 H new ATOM 0 HG21 THR B 75 4.758 1.833 2.504 1.00 0.00 H new ATOM 0 HG22 THR B 75 4.117 3.271 3.333 1.00 0.00 H new ATOM 0 HG23 THR B 75 5.573 2.460 3.956 1.00 0.00 H new ATOM 1475 N ASN B 76 2.773 4.317 6.277 1.00 0.00 N ATOM 1476 CA ASN B 76 1.860 5.458 6.232 1.00 0.00 C ATOM 1477 C ASN B 76 2.109 6.323 5.005 1.00 0.00 C ATOM 1478 O ASN B 76 3.227 6.419 4.511 1.00 0.00 O ATOM 1479 CB ASN B 76 1.966 6.311 7.503 1.00 0.00 C ATOM 1480 CG ASN B 76 1.540 5.568 8.758 1.00 0.00 C ATOM 1481 OD1 ASN B 76 1.712 4.354 8.870 1.00 0.00 O ATOM 1482 ND2 ASN B 76 0.970 6.289 9.708 1.00 0.00 N ATOM 0 H ASN B 76 3.592 4.448 6.870 1.00 0.00 H new ATOM 0 HA ASN B 76 0.850 5.053 6.170 1.00 0.00 H new ATOM 0 HB2 ASN B 76 2.995 6.650 7.621 1.00 0.00 H new ATOM 0 HB3 ASN B 76 1.348 7.202 7.388 1.00 0.00 H new ATOM 0 HD21 ASN B 76 0.656 5.841 10.569 1.00 0.00 H new ATOM 0 HD22 ASN B 76 0.844 7.293 9.580 1.00 0.00 H new ATOM 1489 N PHE B 77 1.037 6.922 4.515 1.00 0.00 N ATOM 1490 CA PHE B 77 1.072 7.790 3.352 1.00 0.00 C ATOM 1491 C PHE B 77 0.328 9.085 3.653 1.00 0.00 C ATOM 1492 O PHE B 77 -0.890 9.088 3.855 1.00 0.00 O ATOM 1493 CB PHE B 77 0.442 7.091 2.145 1.00 0.00 C ATOM 1494 CG PHE B 77 1.329 6.053 1.527 1.00 0.00 C ATOM 1495 CD1 PHE B 77 1.113 4.705 1.762 1.00 0.00 C ATOM 1496 CD2 PHE B 77 2.383 6.426 0.710 1.00 0.00 C ATOM 1497 CE1 PHE B 77 1.932 3.751 1.193 1.00 0.00 C ATOM 1498 CE2 PHE B 77 3.204 5.476 0.139 1.00 0.00 C ATOM 1499 CZ PHE B 77 2.978 4.137 0.379 1.00 0.00 C ATOM 0 H PHE B 77 0.106 6.817 4.919 1.00 0.00 H new ATOM 0 HA PHE B 77 2.111 8.020 3.116 1.00 0.00 H new ATOM 0 HB2 PHE B 77 -0.493 6.622 2.453 1.00 0.00 H new ATOM 0 HB3 PHE B 77 0.191 7.838 1.392 1.00 0.00 H new ATOM 0 HD1 PHE B 77 0.295 4.397 2.397 1.00 0.00 H new ATOM 0 HD2 PHE B 77 2.564 7.473 0.518 1.00 0.00 H new ATOM 0 HE1 PHE B 77 1.755 2.703 1.384 1.00 0.00 H new ATOM 0 HE2 PHE B 77 4.023 5.781 -0.496 1.00 0.00 H new ATOM 0 HZ PHE B 77 3.618 3.392 -0.069 1.00 0.00 H new ATOM 1509 N HIS B 78 1.070 10.172 3.680 1.00 0.00 N ATOM 1510 CA HIS B 78 0.524 11.488 3.967 1.00 0.00 C ATOM 1511 C HIS B 78 0.011 12.144 2.686 1.00 0.00 C ATOM 1512 O HIS B 78 0.793 12.596 1.858 1.00 0.00 O ATOM 1513 CB HIS B 78 1.631 12.335 4.611 1.00 0.00 C ATOM 1514 CG HIS B 78 1.254 13.732 5.010 1.00 0.00 C ATOM 1515 ND1 HIS B 78 1.607 14.290 6.217 1.00 0.00 N ATOM 1516 CD2 HIS B 78 0.619 14.715 4.318 1.00 0.00 C ATOM 1517 CE1 HIS B 78 1.198 15.561 6.222 1.00 0.00 C ATOM 1518 NE2 HIS B 78 0.593 15.873 5.092 1.00 0.00 N ATOM 0 H HIS B 78 2.075 10.171 3.503 1.00 0.00 H new ATOM 0 HA HIS B 78 -0.320 11.404 4.651 1.00 0.00 H new ATOM 0 HB2 HIS B 78 1.990 11.812 5.497 1.00 0.00 H new ATOM 0 HB3 HIS B 78 2.467 12.392 3.914 1.00 0.00 H new ATOM 0 HD1 HIS B 78 2.096 13.815 6.976 1.00 0.00 H new ATOM 0 HD2 HIS B 78 0.202 14.614 3.327 1.00 0.00 H new ATOM 0 HE1 HIS B 78 1.344 16.245 7.045 1.00 0.00 H new ATOM 1526 N PHE B 79 -1.302 12.187 2.524 1.00 0.00 N ATOM 1527 CA PHE B 79 -1.909 12.799 1.347 1.00 0.00 C ATOM 1528 C PHE B 79 -1.857 14.326 1.474 1.00 0.00 C ATOM 1529 O PHE B 79 -2.704 14.931 2.133 1.00 0.00 O ATOM 1530 CB PHE B 79 -3.363 12.342 1.198 1.00 0.00 C ATOM 1531 CG PHE B 79 -3.531 11.000 0.542 1.00 0.00 C ATOM 1532 CD1 PHE B 79 -3.273 9.827 1.234 1.00 0.00 C ATOM 1533 CD2 PHE B 79 -3.965 10.917 -0.767 1.00 0.00 C ATOM 1534 CE1 PHE B 79 -3.448 8.595 0.626 1.00 0.00 C ATOM 1535 CE2 PHE B 79 -4.136 9.692 -1.377 1.00 0.00 C ATOM 1536 CZ PHE B 79 -3.880 8.530 -0.684 1.00 0.00 C ATOM 0 H PHE B 79 -1.971 11.805 3.193 1.00 0.00 H new ATOM 0 HA PHE B 79 -1.352 12.489 0.463 1.00 0.00 H new ATOM 0 HB2 PHE B 79 -3.823 12.310 2.186 1.00 0.00 H new ATOM 0 HB3 PHE B 79 -3.907 13.087 0.617 1.00 0.00 H new ATOM 0 HD1 PHE B 79 -2.932 9.874 2.258 1.00 0.00 H new ATOM 0 HD2 PHE B 79 -4.173 11.822 -1.319 1.00 0.00 H new ATOM 0 HE1 PHE B 79 -3.247 7.687 1.175 1.00 0.00 H new ATOM 0 HE2 PHE B 79 -4.472 9.644 -2.402 1.00 0.00 H new ATOM 0 HZ PHE B 79 -4.017 7.572 -1.163 1.00 0.00 H new ATOM 1546 N SER B 80 -0.860 14.939 0.851 1.00 0.00 N ATOM 1547 CA SER B 80 -0.684 16.384 0.912 1.00 0.00 C ATOM 1548 C SER B 80 -1.317 17.094 -0.284 1.00 0.00 C ATOM 1549 O SER B 80 -1.147 18.301 -0.461 1.00 0.00 O ATOM 1550 CB SER B 80 0.808 16.712 0.982 1.00 0.00 C ATOM 1551 OG SER B 80 1.579 15.724 0.316 1.00 0.00 O ATOM 0 H SER B 80 -0.156 14.454 0.294 1.00 0.00 H new ATOM 0 HA SER B 80 -1.191 16.744 1.808 1.00 0.00 H new ATOM 0 HB2 SER B 80 0.991 17.687 0.530 1.00 0.00 H new ATOM 0 HB3 SER B 80 1.120 16.780 2.024 1.00 0.00 H new ATOM 0 HG SER B 80 2.470 16.082 0.120 1.00 0.00 H new ATOM 1557 N ASN B 81 -2.044 16.352 -1.104 1.00 0.00 N ATOM 1558 CA ASN B 81 -2.687 16.930 -2.276 1.00 0.00 C ATOM 1559 C ASN B 81 -3.996 17.614 -1.884 1.00 0.00 C ATOM 1560 O ASN B 81 -5.059 17.005 -1.902 1.00 0.00 O ATOM 1561 CB ASN B 81 -2.935 15.844 -3.324 1.00 0.00 C ATOM 1562 CG ASN B 81 -3.116 16.408 -4.717 1.00 0.00 C ATOM 1563 OD1 ASN B 81 -2.512 17.421 -5.074 1.00 0.00 O ATOM 1564 ND2 ASN B 81 -3.929 15.746 -5.521 1.00 0.00 N ATOM 0 H ASN B 81 -2.204 15.352 -0.982 1.00 0.00 H new ATOM 0 HA ASN B 81 -2.027 17.684 -2.706 1.00 0.00 H new ATOM 0 HB2 ASN B 81 -2.097 15.147 -3.325 1.00 0.00 H new ATOM 0 HB3 ASN B 81 -3.823 15.275 -3.049 1.00 0.00 H new ATOM 0 HD21 ASN B 81 -4.076 16.070 -6.477 1.00 0.00 H new ATOM 0 HD22 ASN B 81 -4.410 14.911 -5.186 1.00 0.00 H new ATOM 1571 N GLU B 82 -3.906 18.902 -1.578 1.00 0.00 N ATOM 1572 CA GLU B 82 -5.055 19.706 -1.143 1.00 0.00 C ATOM 1573 C GLU B 82 -6.252 19.621 -2.100 1.00 0.00 C ATOM 1574 O GLU B 82 -7.397 19.817 -1.690 1.00 0.00 O ATOM 1575 CB GLU B 82 -4.626 21.172 -0.964 1.00 0.00 C ATOM 1576 CG GLU B 82 -4.364 21.931 -2.266 1.00 0.00 C ATOM 1577 CD GLU B 82 -3.335 21.261 -3.158 1.00 0.00 C ATOM 1578 OE1 GLU B 82 -3.649 20.981 -4.334 1.00 0.00 O ATOM 1579 OE2 GLU B 82 -2.215 20.980 -2.684 1.00 0.00 O ATOM 0 H GLU B 82 -3.032 19.426 -1.623 1.00 0.00 H new ATOM 0 HA GLU B 82 -5.388 19.291 -0.192 1.00 0.00 H new ATOM 0 HB2 GLU B 82 -5.401 21.696 -0.405 1.00 0.00 H new ATOM 0 HB3 GLU B 82 -3.721 21.199 -0.357 1.00 0.00 H new ATOM 0 HG2 GLU B 82 -5.300 22.030 -2.815 1.00 0.00 H new ATOM 0 HG3 GLU B 82 -4.026 22.940 -2.028 1.00 0.00 H new ATOM 1586 N SER B 83 -5.987 19.315 -3.357 1.00 0.00 N ATOM 1587 CA SER B 83 -7.030 19.229 -4.361 1.00 0.00 C ATOM 1588 C SER B 83 -7.918 17.998 -4.193 1.00 0.00 C ATOM 1589 O SER B 83 -9.136 18.118 -4.007 1.00 0.00 O ATOM 1590 CB SER B 83 -6.386 19.233 -5.747 1.00 0.00 C ATOM 1591 OG SER B 83 -4.975 19.115 -5.645 1.00 0.00 O ATOM 0 H SER B 83 -5.049 19.120 -3.708 1.00 0.00 H new ATOM 0 HA SER B 83 -7.681 20.095 -4.239 1.00 0.00 H new ATOM 0 HB2 SER B 83 -6.783 18.409 -6.340 1.00 0.00 H new ATOM 0 HB3 SER B 83 -6.642 20.155 -6.270 1.00 0.00 H new ATOM 0 HG SER B 83 -4.583 20.001 -5.497 1.00 0.00 H new ATOM 1597 N THR B 84 -7.335 16.814 -4.259 1.00 0.00 N ATOM 1598 CA THR B 84 -8.133 15.607 -4.178 1.00 0.00 C ATOM 1599 C THR B 84 -7.673 14.592 -3.131 1.00 0.00 C ATOM 1600 O THR B 84 -8.165 13.477 -3.142 1.00 0.00 O ATOM 1601 CB THR B 84 -8.192 14.957 -5.569 1.00 0.00 C ATOM 1602 OG1 THR B 84 -6.874 14.852 -6.121 1.00 0.00 O ATOM 1603 CG2 THR B 84 -9.052 15.807 -6.494 1.00 0.00 C ATOM 0 H THR B 84 -6.332 16.665 -4.366 1.00 0.00 H new ATOM 0 HA THR B 84 -9.123 15.916 -3.842 1.00 0.00 H new ATOM 0 HB THR B 84 -8.624 13.961 -5.473 1.00 0.00 H new ATOM 0 HG1 THR B 84 -6.241 14.608 -5.413 1.00 0.00 H new ATOM 0 HG21 THR B 84 -9.093 15.344 -7.480 1.00 0.00 H new ATOM 0 HG22 THR B 84 -10.060 15.882 -6.087 1.00 0.00 H new ATOM 0 HG23 THR B 84 -8.620 16.804 -6.579 1.00 0.00 H new ATOM 1611 N ALA B 85 -6.787 14.979 -2.211 1.00 0.00 N ATOM 1612 CA ALA B 85 -6.267 14.054 -1.181 1.00 0.00 C ATOM 1613 C ALA B 85 -7.358 13.225 -0.509 1.00 0.00 C ATOM 1614 O ALA B 85 -7.184 12.031 -0.308 1.00 0.00 O ATOM 1615 CB ALA B 85 -5.492 14.808 -0.113 1.00 0.00 C ATOM 0 H ALA B 85 -6.410 15.925 -2.152 1.00 0.00 H new ATOM 0 HA ALA B 85 -5.607 13.368 -1.711 1.00 0.00 H new ATOM 0 HB1 ALA B 85 -5.121 14.104 0.632 1.00 0.00 H new ATOM 0 HB2 ALA B 85 -4.651 15.328 -0.572 1.00 0.00 H new ATOM 0 HB3 ALA B 85 -6.148 15.534 0.368 1.00 0.00 H new ATOM 1621 N VAL B 86 -8.468 13.855 -0.147 1.00 0.00 N ATOM 1622 CA VAL B 86 -9.573 13.141 0.495 1.00 0.00 C ATOM 1623 C VAL B 86 -10.111 12.043 -0.429 1.00 0.00 C ATOM 1624 O VAL B 86 -10.162 10.873 -0.059 1.00 0.00 O ATOM 1625 CB VAL B 86 -10.711 14.119 0.890 1.00 0.00 C ATOM 1626 CG1 VAL B 86 -12.070 13.429 0.913 1.00 0.00 C ATOM 1627 CG2 VAL B 86 -10.427 14.752 2.239 1.00 0.00 C ATOM 0 H VAL B 86 -8.630 14.853 -0.284 1.00 0.00 H new ATOM 0 HA VAL B 86 -9.192 12.677 1.405 1.00 0.00 H new ATOM 0 HB VAL B 86 -10.745 14.899 0.129 1.00 0.00 H new ATOM 0 HG11 VAL B 86 -12.839 14.149 1.194 1.00 0.00 H new ATOM 0 HG12 VAL B 86 -12.292 13.029 -0.076 1.00 0.00 H new ATOM 0 HG13 VAL B 86 -12.053 12.615 1.638 1.00 0.00 H new ATOM 0 HG21 VAL B 86 -11.236 15.434 2.498 1.00 0.00 H new ATOM 0 HG22 VAL B 86 -10.352 13.973 2.998 1.00 0.00 H new ATOM 0 HG23 VAL B 86 -9.488 15.304 2.192 1.00 0.00 H new ATOM 1637 N LYS B 87 -10.458 12.435 -1.649 1.00 0.00 N ATOM 1638 CA LYS B 87 -10.993 11.512 -2.649 1.00 0.00 C ATOM 1639 C LYS B 87 -9.925 10.503 -3.062 1.00 0.00 C ATOM 1640 O LYS B 87 -10.222 9.346 -3.340 1.00 0.00 O ATOM 1641 CB LYS B 87 -11.469 12.310 -3.870 1.00 0.00 C ATOM 1642 CG LYS B 87 -12.272 13.557 -3.512 1.00 0.00 C ATOM 1643 CD LYS B 87 -11.653 14.812 -4.116 1.00 0.00 C ATOM 1644 CE LYS B 87 -12.360 16.075 -3.645 1.00 0.00 C ATOM 1645 NZ LYS B 87 -11.767 17.310 -4.240 1.00 0.00 N ATOM 0 H LYS B 87 -10.378 13.398 -1.975 1.00 0.00 H new ATOM 0 HA LYS B 87 -11.835 10.966 -2.223 1.00 0.00 H new ATOM 0 HB2 LYS B 87 -10.602 12.604 -4.461 1.00 0.00 H new ATOM 0 HB3 LYS B 87 -12.080 11.664 -4.500 1.00 0.00 H new ATOM 0 HG2 LYS B 87 -13.296 13.447 -3.869 1.00 0.00 H new ATOM 0 HG3 LYS B 87 -12.322 13.660 -2.428 1.00 0.00 H new ATOM 0 HD2 LYS B 87 -10.598 14.863 -3.845 1.00 0.00 H new ATOM 0 HD3 LYS B 87 -11.700 14.753 -5.203 1.00 0.00 H new ATOM 0 HE2 LYS B 87 -13.416 16.018 -3.909 1.00 0.00 H new ATOM 0 HE3 LYS B 87 -12.306 16.136 -2.558 1.00 0.00 H new ATOM 0 HZ1 LYS B 87 -12.291 18.143 -3.904 1.00 0.00 H new ATOM 0 HZ2 LYS B 87 -10.770 17.389 -3.954 1.00 0.00 H new ATOM 0 HZ3 LYS B 87 -11.826 17.259 -5.277 1.00 0.00 H new ATOM 1659 N GLU B 88 -8.684 10.961 -3.100 1.00 0.00 N ATOM 1660 CA GLU B 88 -7.562 10.112 -3.443 1.00 0.00 C ATOM 1661 C GLU B 88 -7.363 9.080 -2.342 1.00 0.00 C ATOM 1662 O GLU B 88 -7.178 7.901 -2.623 1.00 0.00 O ATOM 1663 CB GLU B 88 -6.310 10.963 -3.680 1.00 0.00 C ATOM 1664 CG GLU B 88 -6.157 11.390 -5.134 1.00 0.00 C ATOM 1665 CD GLU B 88 -5.076 12.431 -5.347 1.00 0.00 C ATOM 1666 OE1 GLU B 88 -4.163 12.187 -6.170 1.00 0.00 O ATOM 1667 OE2 GLU B 88 -5.151 13.506 -4.722 1.00 0.00 O ATOM 0 H GLU B 88 -8.430 11.927 -2.895 1.00 0.00 H new ATOM 0 HA GLU B 88 -7.762 9.577 -4.372 1.00 0.00 H new ATOM 0 HB2 GLU B 88 -6.353 11.850 -3.048 1.00 0.00 H new ATOM 0 HB3 GLU B 88 -5.429 10.398 -3.377 1.00 0.00 H new ATOM 0 HG2 GLU B 88 -5.930 10.513 -5.740 1.00 0.00 H new ATOM 0 HG3 GLU B 88 -7.108 11.787 -5.490 1.00 0.00 H new ATOM 1674 N ARG B 89 -7.434 9.534 -1.088 1.00 0.00 N ATOM 1675 CA ARG B 89 -7.324 8.648 0.069 1.00 0.00 C ATOM 1676 C ARG B 89 -8.370 7.568 -0.067 1.00 0.00 C ATOM 1677 O ARG B 89 -8.103 6.379 0.091 1.00 0.00 O ATOM 1678 CB ARG B 89 -7.590 9.421 1.367 1.00 0.00 C ATOM 1679 CG ARG B 89 -7.509 8.579 2.628 1.00 0.00 C ATOM 1680 CD ARG B 89 -8.362 9.181 3.736 1.00 0.00 C ATOM 1681 NE ARG B 89 -9.700 9.552 3.261 1.00 0.00 N ATOM 1682 CZ ARG B 89 -10.426 10.556 3.762 1.00 0.00 C ATOM 1683 NH1 ARG B 89 -9.971 11.283 4.775 1.00 0.00 N ATOM 1684 NH2 ARG B 89 -11.620 10.827 3.255 1.00 0.00 N ATOM 0 H ARG B 89 -7.568 10.517 -0.849 1.00 0.00 H new ATOM 0 HA ARG B 89 -6.319 8.227 0.107 1.00 0.00 H new ATOM 0 HB2 ARG B 89 -6.871 10.237 1.443 1.00 0.00 H new ATOM 0 HB3 ARG B 89 -8.580 9.873 1.310 1.00 0.00 H new ATOM 0 HG2 ARG B 89 -7.845 7.564 2.415 1.00 0.00 H new ATOM 0 HG3 ARG B 89 -6.473 8.509 2.958 1.00 0.00 H new ATOM 0 HD2 ARG B 89 -8.453 8.465 4.553 1.00 0.00 H new ATOM 0 HD3 ARG B 89 -7.863 10.062 4.139 1.00 0.00 H new ATOM 0 HE ARG B 89 -10.102 9.008 2.498 1.00 0.00 H new ATOM 0 HH11 ARG B 89 -9.058 11.078 5.180 1.00 0.00 H new ATOM 0 HH12 ARG B 89 -10.535 12.047 5.148 1.00 0.00 H new ATOM 0 HH21 ARG B 89 -11.985 10.269 2.483 1.00 0.00 H new ATOM 0 HH22 ARG B 89 -12.174 11.593 3.637 1.00 0.00 H new ATOM 1698 N ASP B 90 -9.565 8.028 -0.383 1.00 0.00 N ATOM 1699 CA ASP B 90 -10.713 7.176 -0.571 1.00 0.00 C ATOM 1700 C ASP B 90 -10.531 6.202 -1.724 1.00 0.00 C ATOM 1701 O ASP B 90 -10.865 5.035 -1.587 1.00 0.00 O ATOM 1702 CB ASP B 90 -11.957 8.044 -0.745 1.00 0.00 C ATOM 1703 CG ASP B 90 -12.636 8.289 0.585 1.00 0.00 C ATOM 1704 OD1 ASP B 90 -13.336 7.368 1.063 1.00 0.00 O ATOM 1705 OD2 ASP B 90 -12.439 9.372 1.174 1.00 0.00 O ATOM 0 H ASP B 90 -9.764 9.019 -0.517 1.00 0.00 H new ATOM 0 HA ASP B 90 -10.834 6.555 0.317 1.00 0.00 H new ATOM 0 HB2 ASP B 90 -11.680 8.996 -1.197 1.00 0.00 H new ATOM 0 HB3 ASP B 90 -12.652 7.557 -1.428 1.00 0.00 H new ATOM 1710 N ALA B 91 -9.978 6.661 -2.837 1.00 0.00 N ATOM 1711 CA ALA B 91 -9.756 5.793 -3.995 1.00 0.00 C ATOM 1712 C ALA B 91 -8.679 4.749 -3.701 1.00 0.00 C ATOM 1713 O ALA B 91 -8.842 3.583 -4.052 1.00 0.00 O ATOM 1714 CB ALA B 91 -9.387 6.618 -5.219 1.00 0.00 C ATOM 0 H ALA B 91 -9.674 7.626 -2.967 1.00 0.00 H new ATOM 0 HA ALA B 91 -10.686 5.264 -4.204 1.00 0.00 H new ATOM 0 HB1 ALA B 91 -9.226 5.955 -6.069 1.00 0.00 H new ATOM 0 HB2 ALA B 91 -10.196 7.312 -5.448 1.00 0.00 H new ATOM 0 HB3 ALA B 91 -8.474 7.179 -5.018 1.00 0.00 H new ATOM 1720 N VAL B 92 -7.578 5.164 -3.067 1.00 0.00 N ATOM 1721 CA VAL B 92 -6.515 4.225 -2.698 1.00 0.00 C ATOM 1722 C VAL B 92 -7.128 3.194 -1.764 1.00 0.00 C ATOM 1723 O VAL B 92 -6.927 1.994 -1.910 1.00 0.00 O ATOM 1724 CB VAL B 92 -5.339 4.922 -1.982 1.00 0.00 C ATOM 1725 CG1 VAL B 92 -4.203 3.942 -1.745 1.00 0.00 C ATOM 1726 CG2 VAL B 92 -4.844 6.110 -2.781 1.00 0.00 C ATOM 0 H VAL B 92 -7.401 6.133 -2.801 1.00 0.00 H new ATOM 0 HA VAL B 92 -6.113 3.771 -3.604 1.00 0.00 H new ATOM 0 HB VAL B 92 -5.700 5.283 -1.019 1.00 0.00 H new ATOM 0 HG11 VAL B 92 -3.383 4.451 -1.239 1.00 0.00 H new ATOM 0 HG12 VAL B 92 -4.556 3.118 -1.125 1.00 0.00 H new ATOM 0 HG13 VAL B 92 -3.854 3.552 -2.701 1.00 0.00 H new ATOM 0 HG21 VAL B 92 -4.015 6.583 -2.254 1.00 0.00 H new ATOM 0 HG22 VAL B 92 -4.506 5.774 -3.761 1.00 0.00 H new ATOM 0 HG23 VAL B 92 -5.654 6.829 -2.903 1.00 0.00 H new ATOM 1736 N LYS B 93 -7.916 3.707 -0.824 1.00 0.00 N ATOM 1737 CA LYS B 93 -8.631 2.898 0.152 1.00 0.00 C ATOM 1738 C LYS B 93 -9.546 1.909 -0.558 1.00 0.00 C ATOM 1739 O LYS B 93 -9.466 0.700 -0.348 1.00 0.00 O ATOM 1740 CB LYS B 93 -9.471 3.828 1.039 1.00 0.00 C ATOM 1741 CG LYS B 93 -10.548 3.130 1.856 1.00 0.00 C ATOM 1742 CD LYS B 93 -11.707 4.072 2.173 1.00 0.00 C ATOM 1743 CE LYS B 93 -12.914 3.817 1.273 1.00 0.00 C ATOM 1744 NZ LYS B 93 -13.067 4.856 0.216 1.00 0.00 N ATOM 0 H LYS B 93 -8.077 4.709 -0.719 1.00 0.00 H new ATOM 0 HA LYS B 93 -7.917 2.341 0.760 1.00 0.00 H new ATOM 0 HB2 LYS B 93 -8.804 4.357 1.720 1.00 0.00 H new ATOM 0 HB3 LYS B 93 -9.944 4.580 0.407 1.00 0.00 H new ATOM 0 HG2 LYS B 93 -10.920 2.265 1.307 1.00 0.00 H new ATOM 0 HG3 LYS B 93 -10.117 2.756 2.785 1.00 0.00 H new ATOM 0 HD2 LYS B 93 -12.000 3.949 3.216 1.00 0.00 H new ATOM 0 HD3 LYS B 93 -11.378 5.104 2.054 1.00 0.00 H new ATOM 0 HE2 LYS B 93 -12.813 2.838 0.804 1.00 0.00 H new ATOM 0 HE3 LYS B 93 -13.817 3.787 1.882 1.00 0.00 H new ATOM 0 HZ1 LYS B 93 -13.825 4.576 -0.439 1.00 0.00 H new ATOM 0 HZ2 LYS B 93 -13.308 5.767 0.657 1.00 0.00 H new ATOM 0 HZ3 LYS B 93 -12.174 4.951 -0.309 1.00 0.00 H new ATOM 1758 N ASP B 94 -10.395 2.459 -1.412 1.00 0.00 N ATOM 1759 CA ASP B 94 -11.369 1.700 -2.180 1.00 0.00 C ATOM 1760 C ASP B 94 -10.718 0.617 -3.021 1.00 0.00 C ATOM 1761 O ASP B 94 -11.080 -0.556 -2.920 1.00 0.00 O ATOM 1762 CB ASP B 94 -12.174 2.662 -3.053 1.00 0.00 C ATOM 1763 CG ASP B 94 -13.418 3.150 -2.338 1.00 0.00 C ATOM 1764 OD1 ASP B 94 -13.683 4.367 -2.358 1.00 0.00 O ATOM 1765 OD2 ASP B 94 -14.104 2.318 -1.708 1.00 0.00 O ATOM 0 H ASP B 94 -10.427 3.462 -1.594 1.00 0.00 H new ATOM 0 HA ASP B 94 -12.035 1.190 -1.484 1.00 0.00 H new ATOM 0 HB2 ASP B 94 -11.552 3.514 -3.327 1.00 0.00 H new ATOM 0 HB3 ASP B 94 -12.457 2.164 -3.980 1.00 0.00 H new ATOM 1770 N LEU B 95 -9.750 1.008 -3.831 1.00 0.00 N ATOM 1771 CA LEU B 95 -9.041 0.069 -4.685 1.00 0.00 C ATOM 1772 C LEU B 95 -8.321 -0.977 -3.844 1.00 0.00 C ATOM 1773 O LEU B 95 -8.208 -2.118 -4.254 1.00 0.00 O ATOM 1774 CB LEU B 95 -8.048 0.811 -5.582 1.00 0.00 C ATOM 1775 CG LEU B 95 -7.641 0.068 -6.855 1.00 0.00 C ATOM 1776 CD1 LEU B 95 -8.846 -0.155 -7.756 1.00 0.00 C ATOM 1777 CD2 LEU B 95 -6.558 0.837 -7.593 1.00 0.00 C ATOM 0 H LEU B 95 -9.435 1.974 -3.916 1.00 0.00 H new ATOM 0 HA LEU B 95 -9.767 -0.440 -5.319 1.00 0.00 H new ATOM 0 HB2 LEU B 95 -8.483 1.770 -5.863 1.00 0.00 H new ATOM 0 HB3 LEU B 95 -7.150 1.026 -5.003 1.00 0.00 H new ATOM 0 HG LEU B 95 -7.243 -0.906 -6.572 1.00 0.00 H new ATOM 0 HD11 LEU B 95 -8.534 -0.685 -8.656 1.00 0.00 H new ATOM 0 HD12 LEU B 95 -9.592 -0.747 -7.226 1.00 0.00 H new ATOM 0 HD13 LEU B 95 -9.277 0.807 -8.033 1.00 0.00 H new ATOM 0 HD21 LEU B 95 -6.279 0.295 -8.497 1.00 0.00 H new ATOM 0 HD22 LEU B 95 -6.932 1.824 -7.863 1.00 0.00 H new ATOM 0 HD23 LEU B 95 -5.685 0.943 -6.950 1.00 0.00 H new ATOM 1789 N LEU B 96 -7.858 -0.595 -2.661 1.00 0.00 N ATOM 1790 CA LEU B 96 -7.171 -1.533 -1.776 1.00 0.00 C ATOM 1791 C LEU B 96 -8.170 -2.513 -1.172 1.00 0.00 C ATOM 1792 O LEU B 96 -7.889 -3.696 -1.077 1.00 0.00 O ATOM 1793 CB LEU B 96 -6.422 -0.799 -0.664 1.00 0.00 C ATOM 1794 CG LEU B 96 -5.066 -0.225 -1.066 1.00 0.00 C ATOM 1795 CD1 LEU B 96 -4.539 0.704 0.015 1.00 0.00 C ATOM 1796 CD2 LEU B 96 -4.072 -1.338 -1.338 1.00 0.00 C ATOM 0 H LEU B 96 -7.944 0.352 -2.291 1.00 0.00 H new ATOM 0 HA LEU B 96 -6.442 -2.083 -2.371 1.00 0.00 H new ATOM 0 HB2 LEU B 96 -7.050 0.014 -0.300 1.00 0.00 H new ATOM 0 HB3 LEU B 96 -6.276 -1.486 0.169 1.00 0.00 H new ATOM 0 HG LEU B 96 -5.197 0.350 -1.983 1.00 0.00 H new ATOM 0 HD11 LEU B 96 -3.572 1.104 -0.289 1.00 0.00 H new ATOM 0 HD12 LEU B 96 -5.241 1.525 0.163 1.00 0.00 H new ATOM 0 HD13 LEU B 96 -4.426 0.150 0.947 1.00 0.00 H new ATOM 0 HD21 LEU B 96 -3.112 -0.907 -1.623 1.00 0.00 H new ATOM 0 HD22 LEU B 96 -3.946 -1.941 -0.439 1.00 0.00 H new ATOM 0 HD23 LEU B 96 -4.442 -1.967 -2.148 1.00 0.00 H new ATOM 1808 N GLN B 97 -9.347 -2.026 -0.774 1.00 0.00 N ATOM 1809 CA GLN B 97 -10.380 -2.908 -0.214 1.00 0.00 C ATOM 1810 C GLN B 97 -10.804 -3.904 -1.285 1.00 0.00 C ATOM 1811 O GLN B 97 -11.343 -4.970 -1.008 1.00 0.00 O ATOM 1812 CB GLN B 97 -11.620 -2.121 0.226 1.00 0.00 C ATOM 1813 CG GLN B 97 -11.365 -1.047 1.268 1.00 0.00 C ATOM 1814 CD GLN B 97 -12.446 0.019 1.268 1.00 0.00 C ATOM 1815 OE1 GLN B 97 -13.056 0.243 0.112 1.00 0.00 O flip ATOM 1816 NE2 GLN B 97 -12.729 0.636 2.291 1.00 0.00 N flip ATOM 0 H GLN B 97 -9.609 -1.042 -0.826 1.00 0.00 H new ATOM 0 HA GLN B 97 -9.960 -3.410 0.658 1.00 0.00 H new ATOM 0 HB2 GLN B 97 -12.066 -1.654 -0.653 1.00 0.00 H new ATOM 0 HB3 GLN B 97 -12.355 -2.822 0.622 1.00 0.00 H new ATOM 0 HG2 GLN B 97 -11.310 -1.506 2.255 1.00 0.00 H new ATOM 0 HG3 GLN B 97 -10.398 -0.581 1.079 1.00 0.00 H new ATOM 0 HE21 GLN B 97 -12.236 0.434 3.161 1.00 0.00 H new ATOM 0 HE22 GLN B 97 -13.457 1.350 2.271 1.00 0.00 H new ATOM 1825 N GLN B 98 -10.561 -3.499 -2.512 1.00 0.00 N ATOM 1826 CA GLN B 98 -10.874 -4.278 -3.689 1.00 0.00 C ATOM 1827 C GLN B 98 -9.744 -5.238 -4.038 1.00 0.00 C ATOM 1828 O GLN B 98 -9.954 -6.418 -4.316 1.00 0.00 O ATOM 1829 CB GLN B 98 -11.070 -3.303 -4.848 1.00 0.00 C ATOM 1830 CG GLN B 98 -12.497 -2.833 -5.027 1.00 0.00 C ATOM 1831 CD GLN B 98 -12.999 -3.038 -6.441 1.00 0.00 C ATOM 1832 OE1 GLN B 98 -12.602 -3.986 -7.120 1.00 0.00 O ATOM 1833 NE2 GLN B 98 -13.860 -2.143 -6.897 1.00 0.00 N ATOM 0 H GLN B 98 -10.131 -2.599 -2.724 1.00 0.00 H new ATOM 0 HA GLN B 98 -11.770 -4.869 -3.501 1.00 0.00 H new ATOM 0 HB2 GLN B 98 -10.430 -2.435 -4.690 1.00 0.00 H new ATOM 0 HB3 GLN B 98 -10.738 -3.780 -5.770 1.00 0.00 H new ATOM 0 HG2 GLN B 98 -13.143 -3.371 -4.333 1.00 0.00 H new ATOM 0 HG3 GLN B 98 -12.563 -1.776 -4.770 1.00 0.00 H new ATOM 0 HE21 GLN B 98 -14.161 -1.374 -6.299 1.00 0.00 H new ATOM 0 HE22 GLN B 98 -14.223 -2.222 -7.847 1.00 0.00 H new ATOM 1842 N LEU B 99 -8.554 -4.689 -4.033 1.00 0.00 N ATOM 1843 CA LEU B 99 -7.336 -5.389 -4.396 1.00 0.00 C ATOM 1844 C LEU B 99 -6.755 -6.278 -3.294 1.00 0.00 C ATOM 1845 O LEU B 99 -6.437 -7.437 -3.547 1.00 0.00 O ATOM 1846 CB LEU B 99 -6.322 -4.329 -4.815 1.00 0.00 C ATOM 1847 CG LEU B 99 -6.406 -3.928 -6.288 1.00 0.00 C ATOM 1848 CD1 LEU B 99 -5.609 -2.661 -6.545 1.00 0.00 C ATOM 1849 CD2 LEU B 99 -5.921 -5.061 -7.179 1.00 0.00 C ATOM 0 H LEU B 99 -8.397 -3.716 -3.770 1.00 0.00 H new ATOM 0 HA LEU B 99 -7.574 -6.081 -5.204 1.00 0.00 H new ATOM 0 HB2 LEU B 99 -6.466 -3.441 -4.200 1.00 0.00 H new ATOM 0 HB3 LEU B 99 -5.318 -4.701 -4.608 1.00 0.00 H new ATOM 0 HG LEU B 99 -7.450 -3.727 -6.530 1.00 0.00 H new ATOM 0 HD11 LEU B 99 -5.682 -2.393 -7.599 1.00 0.00 H new ATOM 0 HD12 LEU B 99 -6.008 -1.850 -5.936 1.00 0.00 H new ATOM 0 HD13 LEU B 99 -4.564 -2.829 -6.285 1.00 0.00 H new ATOM 0 HD21 LEU B 99 -5.988 -4.757 -8.224 1.00 0.00 H new ATOM 0 HD22 LEU B 99 -4.885 -5.297 -6.936 1.00 0.00 H new ATOM 0 HD23 LEU B 99 -6.542 -5.942 -7.017 1.00 0.00 H new ATOM 1861 N LEU B 100 -6.645 -5.750 -2.084 1.00 0.00 N ATOM 1862 CA LEU B 100 -6.044 -6.482 -0.967 1.00 0.00 C ATOM 1863 C LEU B 100 -6.655 -7.873 -0.736 1.00 0.00 C ATOM 1864 O LEU B 100 -5.930 -8.866 -0.771 1.00 0.00 O ATOM 1865 CB LEU B 100 -6.078 -5.648 0.315 1.00 0.00 C ATOM 1866 CG LEU B 100 -5.127 -4.457 0.292 1.00 0.00 C ATOM 1867 CD1 LEU B 100 -5.175 -3.673 1.586 1.00 0.00 C ATOM 1868 CD2 LEU B 100 -3.716 -4.915 0.031 1.00 0.00 C ATOM 0 H LEU B 100 -6.965 -4.811 -1.845 1.00 0.00 H new ATOM 0 HA LEU B 100 -5.006 -6.657 -1.249 1.00 0.00 H new ATOM 0 HB2 LEU B 100 -7.094 -5.288 0.478 1.00 0.00 H new ATOM 0 HB3 LEU B 100 -5.827 -6.287 1.161 1.00 0.00 H new ATOM 0 HG LEU B 100 -5.452 -3.800 -0.515 1.00 0.00 H new ATOM 0 HD11 LEU B 100 -4.483 -2.833 1.528 1.00 0.00 H new ATOM 0 HD12 LEU B 100 -6.186 -3.300 1.748 1.00 0.00 H new ATOM 0 HD13 LEU B 100 -4.891 -4.321 2.415 1.00 0.00 H new ATOM 0 HD21 LEU B 100 -3.050 -4.052 0.018 1.00 0.00 H new ATOM 0 HD22 LEU B 100 -3.405 -5.602 0.818 1.00 0.00 H new ATOM 0 HD23 LEU B 100 -3.671 -5.423 -0.932 1.00 0.00 H new ATOM 1880 N PRO B 101 -7.986 -7.987 -0.513 1.00 0.00 N ATOM 1881 CA PRO B 101 -8.646 -9.286 -0.266 1.00 0.00 C ATOM 1882 C PRO B 101 -8.430 -10.312 -1.380 1.00 0.00 C ATOM 1883 O PRO B 101 -8.704 -11.498 -1.200 1.00 0.00 O ATOM 1884 CB PRO B 101 -10.129 -8.922 -0.166 1.00 0.00 C ATOM 1885 CG PRO B 101 -10.134 -7.495 0.240 1.00 0.00 C ATOM 1886 CD PRO B 101 -8.957 -6.878 -0.456 1.00 0.00 C ATOM 0 HA PRO B 101 -8.237 -9.764 0.624 1.00 0.00 H new ATOM 0 HB2 PRO B 101 -10.638 -9.065 -1.119 1.00 0.00 H new ATOM 0 HB3 PRO B 101 -10.642 -9.545 0.566 1.00 0.00 H new ATOM 0 HG2 PRO B 101 -11.064 -7.007 -0.053 1.00 0.00 H new ATOM 0 HG3 PRO B 101 -10.048 -7.394 1.322 1.00 0.00 H new ATOM 0 HD2 PRO B 101 -9.219 -6.520 -1.451 1.00 0.00 H new ATOM 0 HD3 PRO B 101 -8.563 -6.025 0.096 1.00 0.00 H new ATOM 1894 N LYS B 102 -7.933 -9.864 -2.525 1.00 0.00 N ATOM 1895 CA LYS B 102 -7.689 -10.760 -3.646 1.00 0.00 C ATOM 1896 C LYS B 102 -6.302 -11.391 -3.550 1.00 0.00 C ATOM 1897 O LYS B 102 -5.979 -12.304 -4.306 1.00 0.00 O ATOM 1898 CB LYS B 102 -7.838 -10.017 -4.976 1.00 0.00 C ATOM 1899 CG LYS B 102 -9.277 -9.663 -5.320 1.00 0.00 C ATOM 1900 CD LYS B 102 -9.455 -9.435 -6.815 1.00 0.00 C ATOM 1901 CE LYS B 102 -8.965 -8.060 -7.243 1.00 0.00 C ATOM 1902 NZ LYS B 102 -9.955 -6.992 -6.925 1.00 0.00 N ATOM 0 H LYS B 102 -7.692 -8.889 -2.701 1.00 0.00 H new ATOM 0 HA LYS B 102 -8.433 -11.555 -3.604 1.00 0.00 H new ATOM 0 HB2 LYS B 102 -7.247 -9.102 -4.939 1.00 0.00 H new ATOM 0 HB3 LYS B 102 -7.424 -10.632 -5.774 1.00 0.00 H new ATOM 0 HG2 LYS B 102 -9.938 -10.465 -4.992 1.00 0.00 H new ATOM 0 HG3 LYS B 102 -9.572 -8.765 -4.777 1.00 0.00 H new ATOM 0 HD2 LYS B 102 -8.911 -10.202 -7.366 1.00 0.00 H new ATOM 0 HD3 LYS B 102 -10.508 -9.542 -7.075 1.00 0.00 H new ATOM 0 HE2 LYS B 102 -8.021 -7.840 -6.744 1.00 0.00 H new ATOM 0 HE3 LYS B 102 -8.766 -8.063 -8.315 1.00 0.00 H new ATOM 0 HZ1 LYS B 102 -9.605 -6.078 -7.278 1.00 0.00 H new ATOM 0 HZ2 LYS B 102 -10.864 -7.214 -7.380 1.00 0.00 H new ATOM 0 HZ3 LYS B 102 -10.088 -6.937 -5.895 1.00 0.00 H new ATOM 1916 N PHE B 103 -5.487 -10.902 -2.621 1.00 0.00 N ATOM 1917 CA PHE B 103 -4.136 -11.426 -2.443 1.00 0.00 C ATOM 1918 C PHE B 103 -3.904 -11.902 -1.008 1.00 0.00 C ATOM 1919 O PHE B 103 -3.002 -12.697 -0.753 1.00 0.00 O ATOM 1920 CB PHE B 103 -3.098 -10.365 -2.819 1.00 0.00 C ATOM 1921 CG PHE B 103 -3.171 -9.925 -4.257 1.00 0.00 C ATOM 1922 CD1 PHE B 103 -3.870 -8.782 -4.609 1.00 0.00 C ATOM 1923 CD2 PHE B 103 -2.541 -10.652 -5.254 1.00 0.00 C ATOM 1924 CE1 PHE B 103 -3.940 -8.371 -5.926 1.00 0.00 C ATOM 1925 CE2 PHE B 103 -2.608 -10.246 -6.575 1.00 0.00 C ATOM 1926 CZ PHE B 103 -3.309 -9.103 -6.911 1.00 0.00 C ATOM 0 H PHE B 103 -5.736 -10.147 -1.982 1.00 0.00 H new ATOM 0 HA PHE B 103 -4.025 -12.285 -3.105 1.00 0.00 H new ATOM 0 HB2 PHE B 103 -3.232 -9.495 -2.176 1.00 0.00 H new ATOM 0 HB3 PHE B 103 -2.101 -10.759 -2.620 1.00 0.00 H new ATOM 0 HD1 PHE B 103 -4.367 -8.204 -3.844 1.00 0.00 H new ATOM 0 HD2 PHE B 103 -1.991 -11.546 -4.997 1.00 0.00 H new ATOM 0 HE1 PHE B 103 -4.488 -7.477 -6.185 1.00 0.00 H new ATOM 0 HE2 PHE B 103 -2.113 -10.822 -7.343 1.00 0.00 H new ATOM 0 HZ PHE B 103 -3.363 -8.784 -7.941 1.00 0.00 H new