USER MOD reduce.3.24.130724 H: found=0, std=0, add=839, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 838 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 81 ASN : amide:sc= 1.78 K(o=3.6,f=0.62) USER MOD Set 1.2: B 83 SER OG : rot 92:sc= 0.936 USER MOD Set 1.3: B 84 THR OG1 : rot 43:sc= 0.841 USER MOD Set 2.1: B 56 SER OG : rot 120:sc= -0.49 USER MOD Set 2.2: B 64 GLN : amide:sc= -6.44! C(o=-6.9!,f=-12!) USER MOD Set 3.1: B 54 LYS NZ :NH3+ 166:sc= 0.957 (180deg=-0.65) USER MOD Set 3.2: B 66 GLN : amide:sc= -1.1 K(o=-0.14,f=-11!) USER MOD Set 4.1: B 45 HIS : no HE2:sc= -2.22 K(o=-2.1,f=-5.7!) USER MOD Set 4.2: B 75 THR OG1 : rot -148:sc= 0.0838 USER MOD Single : A 404 ASN : amide:sc= 0.0216 X(o=0.022,f=0) USER MOD Single : B 13 LYS NZ :NH3+ -152:sc= 2.29 (180deg=1.84) USER MOD Single : B 14 LYS NZ :NH3+ 150:sc= 0.482 (180deg=-0.476!) USER MOD Single : B 17 GLN :FLIP amide:sc= -1.8 F(o=-2.7!,f=-1.8) USER MOD Single : B 18 LYS NZ :NH3+ 154:sc= 0.83 (180deg=0.493) USER MOD Single : B 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 20 GLN : amide:sc= 0.584 K(o=0.58,f=0) USER MOD Single : B 25 TYR OH : rot 180:sc= 0 USER MOD Single : B 27 MET CE :methyl -127:sc= -2.36 (180deg=-4.97!) USER MOD Single : B 38 LYS NZ :NH3+ -167:sc= 1.95 (180deg=1.31) USER MOD Single : B 42 THR OG1 : rot 170:sc= -0.813 USER MOD Single : B 44 SER OG : rot 180:sc= 0 USER MOD Single : B 46 MET CE :methyl -154:sc= -0.212 (180deg=-1.05) USER MOD Single : B 47 TYR OH : rot -27:sc= 1.22 USER MOD Single : B 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 52 CYS SG : rot -40:sc= -9.47! USER MOD Single : B 53 GLN : amide:sc= -1.03 K(o=-1,f=-2.8!) USER MOD Single : B 60 LYS NZ :NH3+ 166:sc= 3.26 (180deg=1.83!) USER MOD Single : B 62 LYS NZ :NH3+ -124:sc= 0.555 (180deg=0.0621) USER MOD Single : B 70 HIS : no HE2:sc= -5.65! C(o=-5.7!,f=-9.1!) USER MOD Single : B 74 THR OG1 : rot 36:sc= 0.0769 USER MOD Single : B 76 ASN : amide:sc= -3.39! C(o=-3.4!,f=-4.3!) USER MOD Single : B 78 HIS : no HD1:sc= -3.86 K(o=-3.9,f=-4.6) USER MOD Single : B 80 SER OG : rot 23:sc= 0.881 USER MOD Single : B 87 LYS NZ :NH3+ -178:sc= 1.25 (180deg=1.24) USER MOD Single : B 93 LYS NZ :NH3+ 173:sc= 2.53 (180deg=2.29) USER MOD Single : B 97 GLN :FLIP amide:sc= -0.14 F(o=-0.69,f=-0.14) USER MOD Single : B 98 GLN : amide:sc= -0.0983 K(o=-0.098,f=-1.2!) USER MOD Single : B 102 LYS NZ :NH3+ 170:sc= 0.69 (180deg=0.568) USER MOD ----------------------------------------------------------------- ATOM 101 N GLU A 399 1.335 12.926 11.523 1.00 0.00 N ATOM 102 CA GLU A 399 0.186 12.976 12.434 1.00 0.00 C ATOM 103 C GLU A 399 -0.711 11.825 12.061 1.00 0.00 C ATOM 104 O GLU A 399 -1.507 11.935 11.141 1.00 0.00 O ATOM 105 CB GLU A 399 -0.582 14.292 12.304 1.00 0.00 C ATOM 106 CG GLU A 399 -1.693 14.433 13.323 1.00 0.00 C ATOM 107 CD GLU A 399 -2.653 15.563 13.007 1.00 0.00 C ATOM 108 OE1 GLU A 399 -2.383 16.342 12.069 1.00 0.00 O ATOM 109 OE2 GLU A 399 -3.698 15.651 13.688 1.00 0.00 O ATOM 0 HA GLU A 399 0.527 12.909 13.467 1.00 0.00 H new ATOM 0 HB2 GLU A 399 0.113 15.124 12.415 1.00 0.00 H new ATOM 0 HB3 GLU A 399 -1.005 14.362 11.302 1.00 0.00 H new ATOM 0 HG2 GLU A 399 -2.249 13.497 13.377 1.00 0.00 H new ATOM 0 HG3 GLU A 399 -1.256 14.601 14.307 1.00 0.00 H new ATOM 116 N ASP A 400 -0.565 10.705 12.744 1.00 0.00 N ATOM 117 CA ASP A 400 -1.323 9.523 12.378 1.00 0.00 C ATOM 118 C ASP A 400 -1.807 8.746 13.590 1.00 0.00 C ATOM 119 O ASP A 400 -1.091 7.893 14.120 1.00 0.00 O ATOM 120 CB ASP A 400 -0.443 8.623 11.520 1.00 0.00 C ATOM 121 CG ASP A 400 0.255 9.374 10.398 1.00 0.00 C ATOM 122 OD1 ASP A 400 1.211 10.135 10.680 1.00 0.00 O ATOM 123 OD2 ASP A 400 -0.150 9.205 9.233 1.00 0.00 O ATOM 0 H ASP A 400 0.060 10.589 13.542 1.00 0.00 H new ATOM 0 HA ASP A 400 -2.206 9.848 11.828 1.00 0.00 H new ATOM 0 HB2 ASP A 400 0.306 8.146 12.152 1.00 0.00 H new ATOM 0 HB3 ASP A 400 -1.053 7.827 11.093 1.00 0.00 H new ATOM 128 N ASP A 401 -3.007 9.059 14.035 1.00 0.00 N ATOM 129 CA ASP A 401 -3.591 8.378 15.196 1.00 0.00 C ATOM 130 C ASP A 401 -5.077 8.072 15.028 1.00 0.00 C ATOM 131 O ASP A 401 -5.498 6.942 15.267 1.00 0.00 O ATOM 132 CB ASP A 401 -3.359 9.193 16.472 1.00 0.00 C ATOM 133 CG ASP A 401 -3.322 10.685 16.208 1.00 0.00 C ATOM 134 OD1 ASP A 401 -4.281 11.208 15.598 1.00 0.00 O ATOM 135 OD2 ASP A 401 -2.328 11.330 16.588 1.00 0.00 O ATOM 0 H ASP A 401 -3.602 9.776 13.620 1.00 0.00 H new ATOM 0 HA ASP A 401 -3.080 7.419 15.278 1.00 0.00 H new ATOM 0 HB2 ASP A 401 -4.150 8.973 17.189 1.00 0.00 H new ATOM 0 HB3 ASP A 401 -2.419 8.885 16.930 1.00 0.00 H new ATOM 140 N ASP A 402 -5.869 9.059 14.605 1.00 0.00 N ATOM 141 CA ASP A 402 -7.319 8.871 14.420 1.00 0.00 C ATOM 142 C ASP A 402 -7.613 8.028 13.185 1.00 0.00 C ATOM 143 O ASP A 402 -8.733 8.004 12.670 1.00 0.00 O ATOM 144 CB ASP A 402 -8.044 10.218 14.320 1.00 0.00 C ATOM 145 CG ASP A 402 -7.406 11.166 13.325 1.00 0.00 C ATOM 146 OD1 ASP A 402 -7.334 12.374 13.629 1.00 0.00 O ATOM 147 OD2 ASP A 402 -6.951 10.708 12.254 1.00 0.00 O ATOM 0 H ASP A 402 -5.536 9.997 14.383 1.00 0.00 H new ATOM 0 HA ASP A 402 -7.691 8.341 15.297 1.00 0.00 H new ATOM 0 HB2 ASP A 402 -9.081 10.045 14.033 1.00 0.00 H new ATOM 0 HB3 ASP A 402 -8.059 10.689 15.303 1.00 0.00 H new ATOM 152 N PHE A 403 -6.585 7.337 12.736 1.00 0.00 N ATOM 153 CA PHE A 403 -6.645 6.465 11.598 1.00 0.00 C ATOM 154 C PHE A 403 -7.741 5.419 11.772 1.00 0.00 C ATOM 155 O PHE A 403 -7.788 4.718 12.782 1.00 0.00 O ATOM 156 CB PHE A 403 -5.307 5.782 11.482 1.00 0.00 C ATOM 157 CG PHE A 403 -4.482 6.209 10.323 1.00 0.00 C ATOM 158 CD1 PHE A 403 -3.221 6.729 10.512 1.00 0.00 C ATOM 159 CD2 PHE A 403 -4.953 6.048 9.041 1.00 0.00 C ATOM 160 CE1 PHE A 403 -2.443 7.077 9.434 1.00 0.00 C ATOM 161 CE2 PHE A 403 -4.186 6.400 7.961 1.00 0.00 C ATOM 162 CZ PHE A 403 -2.927 6.912 8.158 1.00 0.00 C ATOM 0 H PHE A 403 -5.663 7.373 13.170 1.00 0.00 H new ATOM 0 HA PHE A 403 -6.873 7.040 10.700 1.00 0.00 H new ATOM 0 HB2 PHE A 403 -4.743 5.964 12.397 1.00 0.00 H new ATOM 0 HB3 PHE A 403 -5.470 4.706 11.416 1.00 0.00 H new ATOM 0 HD1 PHE A 403 -2.841 6.864 11.514 1.00 0.00 H new ATOM 0 HD2 PHE A 403 -5.940 5.639 8.883 1.00 0.00 H new ATOM 0 HE1 PHE A 403 -1.453 7.479 9.589 1.00 0.00 H new ATOM 0 HE2 PHE A 403 -4.570 6.275 6.959 1.00 0.00 H new ATOM 0 HZ PHE A 403 -2.317 7.185 7.310 1.00 0.00 H new ATOM 172 N ASN A 404 -8.594 5.300 10.776 1.00 0.00 N ATOM 173 CA ASN A 404 -9.696 4.352 10.826 1.00 0.00 C ATOM 174 C ASN A 404 -9.374 3.126 10.003 1.00 0.00 C ATOM 175 O ASN A 404 -8.901 3.231 8.872 1.00 0.00 O ATOM 176 CB ASN A 404 -10.989 5.005 10.335 1.00 0.00 C ATOM 177 CG ASN A 404 -11.832 5.548 11.474 1.00 0.00 C ATOM 178 OD1 ASN A 404 -12.806 4.924 11.892 1.00 0.00 O ATOM 179 ND2 ASN A 404 -11.457 6.708 11.995 1.00 0.00 N ATOM 0 H ASN A 404 -8.548 5.849 9.917 1.00 0.00 H new ATOM 0 HA ASN A 404 -9.840 4.044 11.862 1.00 0.00 H new ATOM 0 HB2 ASN A 404 -10.745 5.816 9.648 1.00 0.00 H new ATOM 0 HB3 ASN A 404 -11.571 4.275 9.772 1.00 0.00 H new ATOM 0 HD21 ASN A 404 -11.982 7.113 12.770 1.00 0.00 H new ATOM 0 HD22 ASN A 404 -10.643 7.196 11.621 1.00 0.00 H new ATOM 361 N VAL B 8 -1.140 -0.044 -13.775 1.00 0.00 N ATOM 362 CA VAL B 8 -1.412 0.942 -12.748 1.00 0.00 C ATOM 363 C VAL B 8 -2.879 1.320 -12.809 1.00 0.00 C ATOM 364 O VAL B 8 -3.335 1.921 -13.781 1.00 0.00 O ATOM 365 CB VAL B 8 -0.548 2.201 -12.916 1.00 0.00 C ATOM 366 CG1 VAL B 8 -1.007 3.279 -11.949 1.00 0.00 C ATOM 367 CG2 VAL B 8 0.921 1.865 -12.705 1.00 0.00 C ATOM 0 HA VAL B 8 -1.167 0.504 -11.781 1.00 0.00 H new ATOM 0 HB VAL B 8 -0.664 2.581 -13.931 1.00 0.00 H new ATOM 0 HG11 VAL B 8 -0.389 4.168 -12.075 1.00 0.00 H new ATOM 0 HG12 VAL B 8 -2.048 3.529 -12.151 1.00 0.00 H new ATOM 0 HG13 VAL B 8 -0.913 2.914 -10.926 1.00 0.00 H new ATOM 0 HG21 VAL B 8 1.522 2.766 -12.827 1.00 0.00 H new ATOM 0 HG22 VAL B 8 1.063 1.468 -11.700 1.00 0.00 H new ATOM 0 HG23 VAL B 8 1.233 1.120 -13.437 1.00 0.00 H new ATOM 377 N LEU B 9 -3.610 0.951 -11.779 1.00 0.00 N ATOM 378 CA LEU B 9 -5.029 1.228 -11.729 1.00 0.00 C ATOM 379 C LEU B 9 -5.299 2.605 -11.144 1.00 0.00 C ATOM 380 O LEU B 9 -6.300 3.241 -11.471 1.00 0.00 O ATOM 381 CB LEU B 9 -5.757 0.159 -10.907 1.00 0.00 C ATOM 382 CG LEU B 9 -5.371 -1.295 -11.210 1.00 0.00 C ATOM 383 CD1 LEU B 9 -6.126 -2.244 -10.295 1.00 0.00 C ATOM 384 CD2 LEU B 9 -5.646 -1.636 -12.667 1.00 0.00 C ATOM 0 H LEU B 9 -3.244 0.458 -10.964 1.00 0.00 H new ATOM 0 HA LEU B 9 -5.407 1.209 -12.751 1.00 0.00 H new ATOM 0 HB2 LEU B 9 -5.572 0.352 -9.850 1.00 0.00 H new ATOM 0 HB3 LEU B 9 -6.829 0.271 -11.068 1.00 0.00 H new ATOM 0 HG LEU B 9 -4.302 -1.408 -11.028 1.00 0.00 H new ATOM 0 HD11 LEU B 9 -5.842 -3.271 -10.522 1.00 0.00 H new ATOM 0 HD12 LEU B 9 -5.881 -2.021 -9.257 1.00 0.00 H new ATOM 0 HD13 LEU B 9 -7.198 -2.122 -10.449 1.00 0.00 H new ATOM 0 HD21 LEU B 9 -5.364 -2.672 -12.858 1.00 0.00 H new ATOM 0 HD22 LEU B 9 -6.707 -1.504 -12.878 1.00 0.00 H new ATOM 0 HD23 LEU B 9 -5.064 -0.977 -13.311 1.00 0.00 H new ATOM 396 N LEU B 10 -4.414 3.069 -10.275 1.00 0.00 N ATOM 397 CA LEU B 10 -4.595 4.367 -9.651 1.00 0.00 C ATOM 398 C LEU B 10 -3.293 5.142 -9.525 1.00 0.00 C ATOM 399 O LEU B 10 -2.253 4.585 -9.175 1.00 0.00 O ATOM 400 CB LEU B 10 -5.193 4.188 -8.265 1.00 0.00 C ATOM 401 CG LEU B 10 -5.607 5.487 -7.566 1.00 0.00 C ATOM 402 CD1 LEU B 10 -7.042 5.852 -7.879 1.00 0.00 C ATOM 403 CD2 LEU B 10 -5.418 5.370 -6.072 1.00 0.00 C ATOM 0 H LEU B 10 -3.571 2.570 -9.989 1.00 0.00 H new ATOM 0 HA LEU B 10 -5.264 4.939 -10.294 1.00 0.00 H new ATOM 0 HB2 LEU B 10 -6.067 3.541 -8.343 1.00 0.00 H new ATOM 0 HB3 LEU B 10 -4.468 3.670 -7.637 1.00 0.00 H new ATOM 0 HG LEU B 10 -4.965 6.282 -7.945 1.00 0.00 H new ATOM 0 HD11 LEU B 10 -7.302 6.778 -7.367 1.00 0.00 H new ATOM 0 HD12 LEU B 10 -7.157 5.988 -8.954 1.00 0.00 H new ATOM 0 HD13 LEU B 10 -7.702 5.053 -7.542 1.00 0.00 H new ATOM 0 HD21 LEU B 10 -5.717 6.302 -5.593 1.00 0.00 H new ATOM 0 HD22 LEU B 10 -6.031 4.553 -5.691 1.00 0.00 H new ATOM 0 HD23 LEU B 10 -4.369 5.170 -5.852 1.00 0.00 H new ATOM 415 N ILE B 11 -3.371 6.433 -9.809 1.00 0.00 N ATOM 416 CA ILE B 11 -2.232 7.324 -9.687 1.00 0.00 C ATOM 417 C ILE B 11 -2.590 8.435 -8.720 1.00 0.00 C ATOM 418 O ILE B 11 -3.613 9.102 -8.887 1.00 0.00 O ATOM 419 CB ILE B 11 -1.815 7.960 -11.029 1.00 0.00 C ATOM 420 CG1 ILE B 11 -1.431 6.876 -12.042 1.00 0.00 C ATOM 421 CG2 ILE B 11 -0.660 8.936 -10.805 1.00 0.00 C ATOM 422 CD1 ILE B 11 -1.164 7.407 -13.435 1.00 0.00 C ATOM 0 H ILE B 11 -4.225 6.890 -10.130 1.00 0.00 H new ATOM 0 HA ILE B 11 -1.391 6.728 -9.333 1.00 0.00 H new ATOM 0 HB ILE B 11 -2.661 8.513 -11.438 1.00 0.00 H new ATOM 0 HG12 ILE B 11 -0.542 6.357 -11.685 1.00 0.00 H new ATOM 0 HG13 ILE B 11 -2.232 6.139 -12.092 1.00 0.00 H new ATOM 0 HG21 ILE B 11 -0.370 9.382 -11.757 1.00 0.00 H new ATOM 0 HG22 ILE B 11 -0.975 9.721 -10.118 1.00 0.00 H new ATOM 0 HG23 ILE B 11 0.190 8.402 -10.381 1.00 0.00 H new ATOM 0 HD11 ILE B 11 -0.898 6.581 -14.095 1.00 0.00 H new ATOM 0 HD12 ILE B 11 -2.059 7.901 -13.814 1.00 0.00 H new ATOM 0 HD13 ILE B 11 -0.342 8.122 -13.400 1.00 0.00 H new ATOM 434 N VAL B 12 -1.764 8.627 -7.713 1.00 0.00 N ATOM 435 CA VAL B 12 -1.998 9.654 -6.722 1.00 0.00 C ATOM 436 C VAL B 12 -0.862 10.655 -6.742 1.00 0.00 C ATOM 437 O VAL B 12 0.280 10.302 -7.032 1.00 0.00 O ATOM 438 CB VAL B 12 -2.130 9.061 -5.312 1.00 0.00 C ATOM 439 CG1 VAL B 12 -2.798 10.049 -4.381 1.00 0.00 C ATOM 440 CG2 VAL B 12 -2.904 7.756 -5.350 1.00 0.00 C ATOM 0 H VAL B 12 -0.917 8.079 -7.559 1.00 0.00 H new ATOM 0 HA VAL B 12 -2.937 10.149 -6.972 1.00 0.00 H new ATOM 0 HB VAL B 12 -1.129 8.854 -4.933 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -2.883 9.611 -3.386 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -2.201 10.959 -4.327 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -3.792 10.289 -4.758 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -2.986 7.352 -4.341 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -3.901 7.936 -5.751 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -2.381 7.041 -5.985 1.00 0.00 H new ATOM 450 N LYS B 13 -1.173 11.895 -6.437 1.00 0.00 N ATOM 451 CA LYS B 13 -0.169 12.942 -6.437 1.00 0.00 C ATOM 452 C LYS B 13 0.107 13.404 -5.028 1.00 0.00 C ATOM 453 O LYS B 13 -0.529 12.934 -4.093 1.00 0.00 O ATOM 454 CB LYS B 13 -0.605 14.139 -7.280 1.00 0.00 C ATOM 455 CG LYS B 13 -0.926 13.794 -8.718 1.00 0.00 C ATOM 456 CD LYS B 13 -2.419 13.612 -8.907 1.00 0.00 C ATOM 457 CE LYS B 13 -2.759 12.223 -9.418 1.00 0.00 C ATOM 458 NZ LYS B 13 -4.054 11.738 -8.872 1.00 0.00 N ATOM 0 H LYS B 13 -2.111 12.206 -6.186 1.00 0.00 H new ATOM 0 HA LYS B 13 0.737 12.522 -6.873 1.00 0.00 H new ATOM 0 HB2 LYS B 13 -1.483 14.593 -6.821 1.00 0.00 H new ATOM 0 HB3 LYS B 13 0.186 14.889 -7.265 1.00 0.00 H new ATOM 0 HG2 LYS B 13 -0.565 14.585 -9.376 1.00 0.00 H new ATOM 0 HG3 LYS B 13 -0.405 12.880 -9.003 1.00 0.00 H new ATOM 0 HD2 LYS B 13 -2.929 13.785 -7.959 1.00 0.00 H new ATOM 0 HD3 LYS B 13 -2.790 14.358 -9.610 1.00 0.00 H new ATOM 0 HE2 LYS B 13 -2.806 12.237 -10.507 1.00 0.00 H new ATOM 0 HE3 LYS B 13 -1.965 11.529 -9.142 1.00 0.00 H new ATOM 0 HZ1 LYS B 13 -4.044 10.699 -8.826 1.00 0.00 H new ATOM 0 HZ2 LYS B 13 -4.195 12.126 -7.917 1.00 0.00 H new ATOM 0 HZ3 LYS B 13 -4.830 12.050 -9.490 1.00 0.00 H new ATOM 472 N LYS B 14 0.999 14.386 -4.937 1.00 0.00 N ATOM 473 CA LYS B 14 1.450 14.993 -3.673 1.00 0.00 C ATOM 474 C LYS B 14 1.152 14.134 -2.441 1.00 0.00 C ATOM 475 O LYS B 14 0.303 14.473 -1.617 1.00 0.00 O ATOM 476 CB LYS B 14 0.790 16.361 -3.501 1.00 0.00 C ATOM 477 CG LYS B 14 1.456 17.474 -4.288 1.00 0.00 C ATOM 478 CD LYS B 14 0.826 18.828 -3.982 1.00 0.00 C ATOM 479 CE LYS B 14 1.082 19.255 -2.542 1.00 0.00 C ATOM 480 NZ LYS B 14 0.378 20.521 -2.203 1.00 0.00 N ATOM 0 H LYS B 14 1.444 14.798 -5.757 1.00 0.00 H new ATOM 0 HA LYS B 14 2.534 15.084 -3.742 1.00 0.00 H new ATOM 0 HB2 LYS B 14 -0.254 16.290 -3.806 1.00 0.00 H new ATOM 0 HB3 LYS B 14 0.796 16.625 -2.443 1.00 0.00 H new ATOM 0 HG2 LYS B 14 2.519 17.504 -4.050 1.00 0.00 H new ATOM 0 HG3 LYS B 14 1.374 17.266 -5.355 1.00 0.00 H new ATOM 0 HD2 LYS B 14 1.229 19.579 -4.662 1.00 0.00 H new ATOM 0 HD3 LYS B 14 -0.248 18.779 -4.162 1.00 0.00 H new ATOM 0 HE2 LYS B 14 0.754 18.465 -1.866 1.00 0.00 H new ATOM 0 HE3 LYS B 14 2.153 19.383 -2.387 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 0.138 20.525 -1.191 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 0.996 21.330 -2.415 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 -0.494 20.595 -2.765 1.00 0.00 H new ATOM 494 N VAL B 15 1.853 13.017 -2.334 1.00 0.00 N ATOM 495 CA VAL B 15 1.692 12.112 -1.209 1.00 0.00 C ATOM 496 C VAL B 15 3.009 11.990 -0.462 1.00 0.00 C ATOM 497 O VAL B 15 4.031 11.647 -1.052 1.00 0.00 O ATOM 498 CB VAL B 15 1.221 10.706 -1.652 1.00 0.00 C ATOM 499 CG1 VAL B 15 1.424 9.685 -0.543 1.00 0.00 C ATOM 500 CG2 VAL B 15 -0.238 10.735 -2.068 1.00 0.00 C ATOM 0 H VAL B 15 2.545 12.714 -3.020 1.00 0.00 H new ATOM 0 HA VAL B 15 0.923 12.530 -0.559 1.00 0.00 H new ATOM 0 HB VAL B 15 1.826 10.410 -2.509 1.00 0.00 H new ATOM 0 HG11 VAL B 15 1.084 8.707 -0.883 1.00 0.00 H new ATOM 0 HG12 VAL B 15 2.482 9.633 -0.286 1.00 0.00 H new ATOM 0 HG13 VAL B 15 0.851 9.983 0.335 1.00 0.00 H new ATOM 0 HG21 VAL B 15 -0.549 9.737 -2.376 1.00 0.00 H new ATOM 0 HG22 VAL B 15 -0.850 11.062 -1.227 1.00 0.00 H new ATOM 0 HG23 VAL B 15 -0.365 11.427 -2.900 1.00 0.00 H new ATOM 510 N ARG B 16 2.986 12.292 0.821 1.00 0.00 N ATOM 511 CA ARG B 16 4.180 12.206 1.638 1.00 0.00 C ATOM 512 C ARG B 16 4.195 10.893 2.404 1.00 0.00 C ATOM 513 O ARG B 16 3.275 10.596 3.149 1.00 0.00 O ATOM 514 CB ARG B 16 4.266 13.381 2.620 1.00 0.00 C ATOM 515 CG ARG B 16 3.738 14.694 2.067 1.00 0.00 C ATOM 516 CD ARG B 16 4.156 15.869 2.937 1.00 0.00 C ATOM 517 NE ARG B 16 5.557 16.219 2.730 1.00 0.00 N ATOM 518 CZ ARG B 16 6.492 16.179 3.675 1.00 0.00 C ATOM 519 NH1 ARG B 16 6.172 15.867 4.924 1.00 0.00 N ATOM 520 NH2 ARG B 16 7.752 16.454 3.366 1.00 0.00 N ATOM 0 H ARG B 16 2.152 12.600 1.321 1.00 0.00 H new ATOM 0 HA ARG B 16 5.045 12.250 0.976 1.00 0.00 H new ATOM 0 HB2 ARG B 16 3.708 13.128 3.521 1.00 0.00 H new ATOM 0 HB3 ARG B 16 5.306 13.517 2.917 1.00 0.00 H new ATOM 0 HG2 ARG B 16 4.110 14.839 1.053 1.00 0.00 H new ATOM 0 HG3 ARG B 16 2.651 14.654 2.005 1.00 0.00 H new ATOM 0 HD2 ARG B 16 3.528 16.731 2.712 1.00 0.00 H new ATOM 0 HD3 ARG B 16 3.993 15.622 3.986 1.00 0.00 H new ATOM 0 HE ARG B 16 5.839 16.515 1.796 1.00 0.00 H new ATOM 0 HH11 ARG B 16 5.204 15.656 5.165 1.00 0.00 H new ATOM 0 HH12 ARG B 16 6.894 15.838 5.644 1.00 0.00 H new ATOM 0 HH21 ARG B 16 8.001 16.695 2.407 1.00 0.00 H new ATOM 0 HH22 ARG B 16 8.472 16.425 4.088 1.00 0.00 H new ATOM 534 N GLN B 17 5.226 10.099 2.195 1.00 0.00 N ATOM 535 CA GLN B 17 5.351 8.830 2.887 1.00 0.00 C ATOM 536 C GLN B 17 6.416 8.952 3.963 1.00 0.00 C ATOM 537 O GLN B 17 7.610 8.960 3.660 1.00 0.00 O ATOM 538 CB GLN B 17 5.710 7.713 1.902 1.00 0.00 C ATOM 539 CG GLN B 17 5.550 6.307 2.469 1.00 0.00 C ATOM 540 CD GLN B 17 6.809 5.781 3.136 1.00 0.00 C ATOM 541 OE1 GLN B 17 7.965 6.216 2.659 1.00 0.00 O flip ATOM 542 NE2 GLN B 17 6.742 4.989 4.075 1.00 0.00 N flip ATOM 0 H GLN B 17 5.989 10.309 1.552 1.00 0.00 H new ATOM 0 HA GLN B 17 4.397 8.576 3.349 1.00 0.00 H new ATOM 0 HB2 GLN B 17 5.083 7.809 1.016 1.00 0.00 H new ATOM 0 HB3 GLN B 17 6.742 7.847 1.578 1.00 0.00 H new ATOM 0 HG2 GLN B 17 4.736 6.305 3.194 1.00 0.00 H new ATOM 0 HG3 GLN B 17 5.263 5.629 1.665 1.00 0.00 H new ATOM 0 HE21 GLN B 17 5.832 4.677 4.415 1.00 0.00 H new ATOM 0 HE22 GLN B 17 7.596 4.645 4.514 1.00 0.00 H new ATOM 551 N LYS B 18 5.970 9.073 5.207 1.00 0.00 N ATOM 552 CA LYS B 18 6.859 9.198 6.357 1.00 0.00 C ATOM 553 C LYS B 18 7.867 10.333 6.149 1.00 0.00 C ATOM 554 O LYS B 18 9.077 10.104 6.066 1.00 0.00 O ATOM 555 CB LYS B 18 7.565 7.862 6.650 1.00 0.00 C ATOM 556 CG LYS B 18 6.593 6.700 6.842 1.00 0.00 C ATOM 557 CD LYS B 18 7.246 5.494 7.512 1.00 0.00 C ATOM 558 CE LYS B 18 6.387 4.241 7.349 1.00 0.00 C ATOM 559 NZ LYS B 18 6.623 3.237 8.429 1.00 0.00 N ATOM 0 H LYS B 18 4.979 9.087 5.448 1.00 0.00 H new ATOM 0 HA LYS B 18 6.256 9.451 7.229 1.00 0.00 H new ATOM 0 HB2 LYS B 18 8.243 7.629 5.829 1.00 0.00 H new ATOM 0 HB3 LYS B 18 8.175 7.969 7.547 1.00 0.00 H new ATOM 0 HG2 LYS B 18 5.749 7.033 7.445 1.00 0.00 H new ATOM 0 HG3 LYS B 18 6.194 6.401 5.873 1.00 0.00 H new ATOM 0 HD2 LYS B 18 8.231 5.322 7.078 1.00 0.00 H new ATOM 0 HD3 LYS B 18 7.396 5.700 8.572 1.00 0.00 H new ATOM 0 HE2 LYS B 18 5.335 4.525 7.346 1.00 0.00 H new ATOM 0 HE3 LYS B 18 6.597 3.785 6.382 1.00 0.00 H new ATOM 0 HZ1 LYS B 18 5.773 2.649 8.548 1.00 0.00 H new ATOM 0 HZ2 LYS B 18 7.429 2.632 8.171 1.00 0.00 H new ATOM 0 HZ3 LYS B 18 6.832 3.729 9.321 1.00 0.00 H new ATOM 573 N LYS B 19 7.330 11.555 6.033 1.00 0.00 N ATOM 574 CA LYS B 19 8.127 12.777 5.851 1.00 0.00 C ATOM 575 C LYS B 19 8.825 12.843 4.484 1.00 0.00 C ATOM 576 O LYS B 19 9.830 13.537 4.336 1.00 0.00 O ATOM 577 CB LYS B 19 9.168 12.925 6.973 1.00 0.00 C ATOM 578 CG LYS B 19 8.659 13.656 8.210 1.00 0.00 C ATOM 579 CD LYS B 19 7.709 12.797 9.030 1.00 0.00 C ATOM 580 CE LYS B 19 7.188 13.530 10.254 1.00 0.00 C ATOM 581 NZ LYS B 19 8.222 13.664 11.311 1.00 0.00 N ATOM 0 H LYS B 19 6.325 11.725 6.063 1.00 0.00 H new ATOM 0 HA LYS B 19 7.421 13.606 5.895 1.00 0.00 H new ATOM 0 HB2 LYS B 19 9.511 11.933 7.267 1.00 0.00 H new ATOM 0 HB3 LYS B 19 10.034 13.458 6.581 1.00 0.00 H new ATOM 0 HG2 LYS B 19 9.505 13.953 8.829 1.00 0.00 H new ATOM 0 HG3 LYS B 19 8.150 14.571 7.906 1.00 0.00 H new ATOM 0 HD2 LYS B 19 6.869 12.490 8.407 1.00 0.00 H new ATOM 0 HD3 LYS B 19 8.222 11.888 9.344 1.00 0.00 H new ATOM 0 HE2 LYS B 19 6.840 14.521 9.961 1.00 0.00 H new ATOM 0 HE3 LYS B 19 6.327 12.996 10.656 1.00 0.00 H new ATOM 0 HZ1 LYS B 19 7.821 14.170 12.126 1.00 0.00 H new ATOM 0 HZ2 LYS B 19 8.537 12.719 11.611 1.00 0.00 H new ATOM 0 HZ3 LYS B 19 9.033 14.197 10.937 1.00 0.00 H new ATOM 595 N GLN B 20 8.289 12.148 3.484 1.00 0.00 N ATOM 596 CA GLN B 20 8.886 12.158 2.145 1.00 0.00 C ATOM 597 C GLN B 20 7.842 12.462 1.076 1.00 0.00 C ATOM 598 O GLN B 20 6.891 11.713 0.910 1.00 0.00 O ATOM 599 CB GLN B 20 9.540 10.809 1.845 1.00 0.00 C ATOM 600 CG GLN B 20 10.854 10.592 2.569 1.00 0.00 C ATOM 601 CD GLN B 20 11.121 9.129 2.849 1.00 0.00 C ATOM 602 OE1 GLN B 20 11.716 8.424 2.036 1.00 0.00 O ATOM 603 NE2 GLN B 20 10.671 8.659 4.002 1.00 0.00 N ATOM 0 H GLN B 20 7.450 11.575 3.570 1.00 0.00 H new ATOM 0 HA GLN B 20 9.642 12.943 2.127 1.00 0.00 H new ATOM 0 HB2 GLN B 20 8.849 10.012 2.119 1.00 0.00 H new ATOM 0 HB3 GLN B 20 9.710 10.729 0.771 1.00 0.00 H new ATOM 0 HG2 GLN B 20 11.668 10.999 1.969 1.00 0.00 H new ATOM 0 HG3 GLN B 20 10.844 11.144 3.509 1.00 0.00 H new ATOM 0 HE21 GLN B 20 10.182 9.278 4.649 1.00 0.00 H new ATOM 0 HE22 GLN B 20 10.813 7.678 4.243 1.00 0.00 H new ATOM 612 N ASP B 21 8.036 13.549 0.342 1.00 0.00 N ATOM 613 CA ASP B 21 7.100 13.949 -0.716 1.00 0.00 C ATOM 614 C ASP B 21 7.253 13.065 -1.949 1.00 0.00 C ATOM 615 O ASP B 21 8.362 12.635 -2.271 1.00 0.00 O ATOM 616 CB ASP B 21 7.337 15.408 -1.117 1.00 0.00 C ATOM 617 CG ASP B 21 7.205 16.363 0.047 1.00 0.00 C ATOM 618 OD1 ASP B 21 6.104 16.911 0.250 1.00 0.00 O ATOM 619 OD2 ASP B 21 8.200 16.551 0.781 1.00 0.00 O ATOM 0 H ASP B 21 8.833 14.175 0.455 1.00 0.00 H new ATOM 0 HA ASP B 21 6.091 13.835 -0.320 1.00 0.00 H new ATOM 0 HB2 ASP B 21 8.333 15.504 -1.549 1.00 0.00 H new ATOM 0 HB3 ASP B 21 6.624 15.687 -1.893 1.00 0.00 H new ATOM 624 N GLY B 22 6.142 12.790 -2.634 1.00 0.00 N ATOM 625 CA GLY B 22 6.194 11.968 -3.830 1.00 0.00 C ATOM 626 C GLY B 22 4.826 11.683 -4.434 1.00 0.00 C ATOM 627 O GLY B 22 3.825 12.295 -4.055 1.00 0.00 O ATOM 0 H GLY B 22 5.211 13.122 -2.381 1.00 0.00 H new ATOM 0 HA2 GLY B 22 6.815 12.465 -4.576 1.00 0.00 H new ATOM 0 HA3 GLY B 22 6.680 11.022 -3.590 1.00 0.00 H new ATOM 631 N ALA B 23 4.795 10.737 -5.367 1.00 0.00 N ATOM 632 CA ALA B 23 3.570 10.335 -6.057 1.00 0.00 C ATOM 633 C ALA B 23 3.322 8.844 -5.844 1.00 0.00 C ATOM 634 O ALA B 23 4.249 8.034 -5.916 1.00 0.00 O ATOM 635 CB ALA B 23 3.673 10.651 -7.541 1.00 0.00 C ATOM 0 H ALA B 23 5.623 10.223 -5.669 1.00 0.00 H new ATOM 0 HA ALA B 23 2.730 10.894 -5.645 1.00 0.00 H new ATOM 0 HB1 ALA B 23 2.754 10.347 -8.042 1.00 0.00 H new ATOM 0 HB2 ALA B 23 3.822 11.722 -7.675 1.00 0.00 H new ATOM 0 HB3 ALA B 23 4.517 10.111 -7.970 1.00 0.00 H new ATOM 641 N LEU B 24 2.075 8.491 -5.590 1.00 0.00 N ATOM 642 CA LEU B 24 1.697 7.107 -5.331 1.00 0.00 C ATOM 643 C LEU B 24 1.080 6.458 -6.575 1.00 0.00 C ATOM 644 O LEU B 24 0.333 7.098 -7.310 1.00 0.00 O ATOM 645 CB LEU B 24 0.710 7.075 -4.164 1.00 0.00 C ATOM 646 CG LEU B 24 0.240 5.687 -3.743 1.00 0.00 C ATOM 647 CD1 LEU B 24 1.133 5.095 -2.680 1.00 0.00 C ATOM 648 CD2 LEU B 24 -1.196 5.743 -3.252 1.00 0.00 C ATOM 0 H LEU B 24 1.297 9.149 -5.557 1.00 0.00 H new ATOM 0 HA LEU B 24 2.589 6.536 -5.075 1.00 0.00 H new ATOM 0 HB2 LEU B 24 1.174 7.559 -3.305 1.00 0.00 H new ATOM 0 HB3 LEU B 24 -0.163 7.670 -4.432 1.00 0.00 H new ATOM 0 HG LEU B 24 0.293 5.040 -4.619 1.00 0.00 H new ATOM 0 HD11 LEU B 24 0.766 4.106 -2.406 1.00 0.00 H new ATOM 0 HD12 LEU B 24 2.150 5.011 -3.064 1.00 0.00 H new ATOM 0 HD13 LEU B 24 1.129 5.740 -1.801 1.00 0.00 H new ATOM 0 HD21 LEU B 24 -1.518 4.745 -2.955 1.00 0.00 H new ATOM 0 HD22 LEU B 24 -1.262 6.415 -2.397 1.00 0.00 H new ATOM 0 HD23 LEU B 24 -1.840 6.109 -4.052 1.00 0.00 H new ATOM 660 N TYR B 25 1.409 5.192 -6.812 1.00 0.00 N ATOM 661 CA TYR B 25 0.897 4.448 -7.964 1.00 0.00 C ATOM 662 C TYR B 25 0.460 3.050 -7.530 1.00 0.00 C ATOM 663 O TYR B 25 1.245 2.298 -6.961 1.00 0.00 O ATOM 664 CB TYR B 25 1.973 4.325 -9.052 1.00 0.00 C ATOM 665 CG TYR B 25 2.335 5.623 -9.747 1.00 0.00 C ATOM 666 CD1 TYR B 25 1.893 5.884 -11.037 1.00 0.00 C ATOM 667 CD2 TYR B 25 3.128 6.577 -9.120 1.00 0.00 C ATOM 668 CE1 TYR B 25 2.230 7.059 -11.681 1.00 0.00 C ATOM 669 CE2 TYR B 25 3.465 7.755 -9.757 1.00 0.00 C ATOM 670 CZ TYR B 25 3.015 7.991 -11.037 1.00 0.00 C ATOM 671 OH TYR B 25 3.348 9.163 -11.675 1.00 0.00 O ATOM 0 H TYR B 25 2.036 4.652 -6.215 1.00 0.00 H new ATOM 0 HA TYR B 25 0.043 4.992 -8.369 1.00 0.00 H new ATOM 0 HB2 TYR B 25 2.875 3.907 -8.604 1.00 0.00 H new ATOM 0 HB3 TYR B 25 1.630 3.613 -9.802 1.00 0.00 H new ATOM 0 HD1 TYR B 25 1.276 5.157 -11.545 1.00 0.00 H new ATOM 0 HD2 TYR B 25 3.487 6.394 -8.118 1.00 0.00 H new ATOM 0 HE1 TYR B 25 1.880 7.246 -12.685 1.00 0.00 H new ATOM 0 HE2 TYR B 25 4.079 8.488 -9.254 1.00 0.00 H new ATOM 0 HH TYR B 25 3.904 9.711 -11.083 1.00 0.00 H new ATOM 681 N LEU B 26 -0.783 2.689 -7.807 1.00 0.00 N ATOM 682 CA LEU B 26 -1.283 1.377 -7.407 1.00 0.00 C ATOM 683 C LEU B 26 -1.454 0.450 -8.606 1.00 0.00 C ATOM 684 O LEU B 26 -2.170 0.774 -9.551 1.00 0.00 O ATOM 685 CB LEU B 26 -2.620 1.505 -6.673 1.00 0.00 C ATOM 686 CG LEU B 26 -2.692 2.622 -5.632 1.00 0.00 C ATOM 687 CD1 LEU B 26 -4.012 2.588 -4.902 1.00 0.00 C ATOM 688 CD2 LEU B 26 -1.574 2.515 -4.629 1.00 0.00 C ATOM 0 H LEU B 26 -1.458 3.274 -8.300 1.00 0.00 H new ATOM 0 HA LEU B 26 -0.540 0.945 -6.737 1.00 0.00 H new ATOM 0 HB2 LEU B 26 -3.406 1.668 -7.411 1.00 0.00 H new ATOM 0 HB3 LEU B 26 -2.837 0.557 -6.180 1.00 0.00 H new ATOM 0 HG LEU B 26 -2.594 3.566 -6.169 1.00 0.00 H new ATOM 0 HD11 LEU B 26 -4.042 3.391 -4.166 1.00 0.00 H new ATOM 0 HD12 LEU B 26 -4.826 2.719 -5.615 1.00 0.00 H new ATOM 0 HD13 LEU B 26 -4.124 1.629 -4.397 1.00 0.00 H new ATOM 0 HD21 LEU B 26 -1.657 3.325 -3.904 1.00 0.00 H new ATOM 0 HD22 LEU B 26 -1.639 1.558 -4.112 1.00 0.00 H new ATOM 0 HD23 LEU B 26 -0.616 2.585 -5.144 1.00 0.00 H new ATOM 700 N MET B 27 -0.788 -0.697 -8.556 1.00 0.00 N ATOM 701 CA MET B 27 -0.876 -1.700 -9.611 1.00 0.00 C ATOM 702 C MET B 27 -1.772 -2.828 -9.143 1.00 0.00 C ATOM 703 O MET B 27 -1.972 -2.998 -7.945 1.00 0.00 O ATOM 704 CB MET B 27 0.499 -2.262 -9.966 1.00 0.00 C ATOM 705 CG MET B 27 1.508 -1.206 -10.363 1.00 0.00 C ATOM 706 SD MET B 27 2.426 -0.569 -8.952 1.00 0.00 S ATOM 707 CE MET B 27 3.072 0.937 -9.659 1.00 0.00 C ATOM 0 H MET B 27 -0.173 -0.958 -7.785 1.00 0.00 H new ATOM 0 HA MET B 27 -1.287 -1.226 -10.502 1.00 0.00 H new ATOM 0 HB2 MET B 27 0.886 -2.817 -9.111 1.00 0.00 H new ATOM 0 HB3 MET B 27 0.390 -2.973 -10.785 1.00 0.00 H new ATOM 0 HG2 MET B 27 2.206 -1.628 -11.086 1.00 0.00 H new ATOM 0 HG3 MET B 27 0.993 -0.383 -10.859 1.00 0.00 H new ATOM 0 HE1 MET B 27 4.153 0.970 -9.520 1.00 0.00 H new ATOM 0 HE2 MET B 27 2.842 0.967 -10.724 1.00 0.00 H new ATOM 0 HE3 MET B 27 2.616 1.795 -9.165 1.00 0.00 H new ATOM 717 N ALA B 28 -2.275 -3.613 -10.076 1.00 0.00 N ATOM 718 CA ALA B 28 -3.172 -4.718 -9.754 1.00 0.00 C ATOM 719 C ALA B 28 -2.541 -5.734 -8.797 1.00 0.00 C ATOM 720 O ALA B 28 -3.253 -6.467 -8.110 1.00 0.00 O ATOM 721 CB ALA B 28 -3.617 -5.417 -11.028 1.00 0.00 C ATOM 0 H ALA B 28 -2.079 -3.509 -11.072 1.00 0.00 H new ATOM 0 HA ALA B 28 -4.034 -4.288 -9.244 1.00 0.00 H new ATOM 0 HB1 ALA B 28 -4.286 -6.240 -10.777 1.00 0.00 H new ATOM 0 HB2 ALA B 28 -4.140 -4.707 -11.669 1.00 0.00 H new ATOM 0 HB3 ALA B 28 -2.745 -5.806 -11.553 1.00 0.00 H new ATOM 727 N GLU B 29 -1.214 -5.774 -8.741 1.00 0.00 N ATOM 728 CA GLU B 29 -0.529 -6.735 -7.883 1.00 0.00 C ATOM 729 C GLU B 29 0.074 -6.084 -6.636 1.00 0.00 C ATOM 730 O GLU B 29 0.275 -6.755 -5.615 1.00 0.00 O ATOM 731 CB GLU B 29 0.602 -7.424 -8.656 1.00 0.00 C ATOM 732 CG GLU B 29 0.359 -7.535 -10.155 1.00 0.00 C ATOM 733 CD GLU B 29 1.092 -6.455 -10.927 1.00 0.00 C ATOM 734 OE1 GLU B 29 1.729 -6.765 -11.956 1.00 0.00 O ATOM 735 OE2 GLU B 29 1.058 -5.289 -10.488 1.00 0.00 O ATOM 0 H GLU B 29 -0.597 -5.160 -9.273 1.00 0.00 H new ATOM 0 HA GLU B 29 -1.282 -7.457 -7.567 1.00 0.00 H new ATOM 0 HB2 GLU B 29 1.528 -6.874 -8.490 1.00 0.00 H new ATOM 0 HB3 GLU B 29 0.748 -8.424 -8.248 1.00 0.00 H new ATOM 0 HG2 GLU B 29 0.684 -8.515 -10.504 1.00 0.00 H new ATOM 0 HG3 GLU B 29 -0.710 -7.463 -10.356 1.00 0.00 H new ATOM 742 N ARG B 30 0.340 -4.783 -6.686 1.00 0.00 N ATOM 743 CA ARG B 30 0.984 -4.133 -5.550 1.00 0.00 C ATOM 744 C ARG B 30 0.795 -2.625 -5.547 1.00 0.00 C ATOM 745 O ARG B 30 0.287 -2.040 -6.496 1.00 0.00 O ATOM 746 CB ARG B 30 2.485 -4.435 -5.572 1.00 0.00 C ATOM 747 CG ARG B 30 3.289 -3.498 -6.467 1.00 0.00 C ATOM 748 CD ARG B 30 4.198 -4.267 -7.405 1.00 0.00 C ATOM 749 NE ARG B 30 3.579 -4.467 -8.712 1.00 0.00 N ATOM 750 CZ ARG B 30 3.970 -3.844 -9.820 1.00 0.00 C ATOM 751 NH1 ARG B 30 4.947 -2.948 -9.779 1.00 0.00 N ATOM 752 NH2 ARG B 30 3.362 -4.089 -10.970 1.00 0.00 N ATOM 0 H ARG B 30 0.128 -4.173 -7.475 1.00 0.00 H new ATOM 0 HA ARG B 30 0.513 -4.530 -4.651 1.00 0.00 H new ATOM 0 HB2 ARG B 30 2.873 -4.373 -4.555 1.00 0.00 H new ATOM 0 HB3 ARG B 30 2.635 -5.461 -5.909 1.00 0.00 H new ATOM 0 HG2 ARG B 30 2.608 -2.876 -7.048 1.00 0.00 H new ATOM 0 HG3 ARG B 30 3.886 -2.827 -5.849 1.00 0.00 H new ATOM 0 HD2 ARG B 30 5.137 -3.727 -7.526 1.00 0.00 H new ATOM 0 HD3 ARG B 30 4.441 -5.234 -6.965 1.00 0.00 H new ATOM 0 HE ARG B 30 2.801 -5.123 -8.779 1.00 0.00 H new ATOM 0 HH11 ARG B 30 5.404 -2.732 -8.893 1.00 0.00 H new ATOM 0 HH12 ARG B 30 5.241 -2.475 -10.633 1.00 0.00 H new ATOM 0 HH21 ARG B 30 2.592 -4.757 -11.008 1.00 0.00 H new ATOM 0 HH22 ARG B 30 3.664 -3.610 -11.819 1.00 0.00 H new ATOM 766 N ILE B 31 1.232 -2.016 -4.459 1.00 0.00 N ATOM 767 CA ILE B 31 1.168 -0.580 -4.296 1.00 0.00 C ATOM 768 C ILE B 31 2.588 -0.024 -4.288 1.00 0.00 C ATOM 769 O ILE B 31 3.428 -0.452 -3.491 1.00 0.00 O ATOM 770 CB ILE B 31 0.424 -0.181 -2.997 1.00 0.00 C ATOM 771 CG1 ILE B 31 0.835 1.225 -2.545 1.00 0.00 C ATOM 772 CG2 ILE B 31 0.679 -1.197 -1.890 1.00 0.00 C ATOM 773 CD1 ILE B 31 -0.046 1.793 -1.456 1.00 0.00 C ATOM 0 H ILE B 31 1.641 -2.507 -3.664 1.00 0.00 H new ATOM 0 HA ILE B 31 0.604 -0.158 -5.128 1.00 0.00 H new ATOM 0 HB ILE B 31 -0.645 -0.173 -3.210 1.00 0.00 H new ATOM 0 HG12 ILE B 31 1.865 1.197 -2.189 1.00 0.00 H new ATOM 0 HG13 ILE B 31 0.813 1.895 -3.405 1.00 0.00 H new ATOM 0 HG21 ILE B 31 0.146 -0.894 -0.989 1.00 0.00 H new ATOM 0 HG22 ILE B 31 0.326 -2.178 -2.208 1.00 0.00 H new ATOM 0 HG23 ILE B 31 1.748 -1.246 -1.680 1.00 0.00 H new ATOM 0 HD11 ILE B 31 0.305 2.789 -1.187 1.00 0.00 H new ATOM 0 HD12 ILE B 31 -1.074 1.854 -1.814 1.00 0.00 H new ATOM 0 HD13 ILE B 31 -0.005 1.145 -0.580 1.00 0.00 H new ATOM 785 N ALA B 32 2.864 0.895 -5.197 1.00 0.00 N ATOM 786 CA ALA B 32 4.181 1.492 -5.292 1.00 0.00 C ATOM 787 C ALA B 32 4.097 3.002 -5.147 1.00 0.00 C ATOM 788 O ALA B 32 3.089 3.616 -5.481 1.00 0.00 O ATOM 789 CB ALA B 32 4.839 1.118 -6.611 1.00 0.00 C ATOM 0 H ALA B 32 2.191 1.243 -5.880 1.00 0.00 H new ATOM 0 HA ALA B 32 4.794 1.105 -4.478 1.00 0.00 H new ATOM 0 HB1 ALA B 32 5.827 1.574 -6.667 1.00 0.00 H new ATOM 0 HB2 ALA B 32 4.935 0.034 -6.675 1.00 0.00 H new ATOM 0 HB3 ALA B 32 4.226 1.477 -7.438 1.00 0.00 H new ATOM 795 N TRP B 33 5.147 3.595 -4.625 1.00 0.00 N ATOM 796 CA TRP B 33 5.194 5.031 -4.441 1.00 0.00 C ATOM 797 C TRP B 33 6.625 5.521 -4.626 1.00 0.00 C ATOM 798 O TRP B 33 7.574 4.885 -4.159 1.00 0.00 O ATOM 799 CB TRP B 33 4.620 5.393 -3.062 1.00 0.00 C ATOM 800 CG TRP B 33 4.815 6.822 -2.646 1.00 0.00 C ATOM 801 CD1 TRP B 33 3.906 7.827 -2.769 1.00 0.00 C ATOM 802 CD2 TRP B 33 5.971 7.401 -2.027 1.00 0.00 C ATOM 803 NE1 TRP B 33 4.421 8.996 -2.282 1.00 0.00 N ATOM 804 CE2 TRP B 33 5.690 8.763 -1.819 1.00 0.00 C ATOM 805 CE3 TRP B 33 7.218 6.905 -1.633 1.00 0.00 C ATOM 806 CZ2 TRP B 33 6.607 9.630 -1.236 1.00 0.00 C ATOM 807 CZ3 TRP B 33 8.127 7.767 -1.054 1.00 0.00 C ATOM 808 CH2 TRP B 33 7.819 9.117 -0.860 1.00 0.00 C ATOM 0 H TRP B 33 5.986 3.103 -4.318 1.00 0.00 H new ATOM 0 HA TRP B 33 4.579 5.532 -5.189 1.00 0.00 H new ATOM 0 HB2 TRP B 33 3.552 5.173 -3.061 1.00 0.00 H new ATOM 0 HB3 TRP B 33 5.079 4.747 -2.314 1.00 0.00 H new ATOM 0 HD1 TRP B 33 2.918 7.717 -3.191 1.00 0.00 H new ATOM 0 HE1 TRP B 33 3.939 9.895 -2.266 1.00 0.00 H new ATOM 0 HE3 TRP B 33 7.466 5.864 -1.780 1.00 0.00 H new ATOM 0 HZ2 TRP B 33 6.371 10.673 -1.085 1.00 0.00 H new ATOM 0 HZ3 TRP B 33 9.092 7.393 -0.746 1.00 0.00 H new ATOM 0 HH2 TRP B 33 8.551 9.767 -0.405 1.00 0.00 H new ATOM 819 N ALA B 34 6.779 6.628 -5.332 1.00 0.00 N ATOM 820 CA ALA B 34 8.094 7.191 -5.590 1.00 0.00 C ATOM 821 C ALA B 34 8.161 8.627 -5.107 1.00 0.00 C ATOM 822 O ALA B 34 7.182 9.364 -5.213 1.00 0.00 O ATOM 823 CB ALA B 34 8.416 7.126 -7.076 1.00 0.00 C ATOM 0 H ALA B 34 6.007 7.157 -5.738 1.00 0.00 H new ATOM 0 HA ALA B 34 8.832 6.603 -5.044 1.00 0.00 H new ATOM 0 HB1 ALA B 34 9.404 7.551 -7.253 1.00 0.00 H new ATOM 0 HB2 ALA B 34 8.404 6.087 -7.406 1.00 0.00 H new ATOM 0 HB3 ALA B 34 7.671 7.693 -7.635 1.00 0.00 H new ATOM 829 N PRO B 35 9.309 9.041 -4.548 1.00 0.00 N ATOM 830 CA PRO B 35 9.496 10.406 -4.066 1.00 0.00 C ATOM 831 C PRO B 35 9.448 11.407 -5.215 1.00 0.00 C ATOM 832 O PRO B 35 9.658 11.043 -6.375 1.00 0.00 O ATOM 833 CB PRO B 35 10.887 10.389 -3.417 1.00 0.00 C ATOM 834 CG PRO B 35 11.232 8.948 -3.248 1.00 0.00 C ATOM 835 CD PRO B 35 10.504 8.214 -4.338 1.00 0.00 C ATOM 0 HA PRO B 35 8.712 10.710 -3.372 1.00 0.00 H new ATOM 0 HB2 PRO B 35 11.619 10.896 -4.045 1.00 0.00 H new ATOM 0 HB3 PRO B 35 10.878 10.905 -2.457 1.00 0.00 H new ATOM 0 HG2 PRO B 35 12.308 8.793 -3.326 1.00 0.00 H new ATOM 0 HG3 PRO B 35 10.928 8.587 -2.265 1.00 0.00 H new ATOM 0 HD2 PRO B 35 11.105 8.135 -5.244 1.00 0.00 H new ATOM 0 HD3 PRO B 35 10.245 7.199 -4.038 1.00 0.00 H new ATOM 843 N GLU B 36 9.177 12.661 -4.892 1.00 0.00 N ATOM 844 CA GLU B 36 9.083 13.706 -5.901 1.00 0.00 C ATOM 845 C GLU B 36 10.387 13.842 -6.685 1.00 0.00 C ATOM 846 O GLU B 36 11.487 13.795 -6.114 1.00 0.00 O ATOM 847 CB GLU B 36 8.708 15.043 -5.257 1.00 0.00 C ATOM 848 CG GLU B 36 8.176 16.063 -6.252 1.00 0.00 C ATOM 849 CD GLU B 36 7.192 15.453 -7.233 1.00 0.00 C ATOM 850 OE1 GLU B 36 5.974 15.519 -6.971 1.00 0.00 O ATOM 851 OE2 GLU B 36 7.645 14.897 -8.259 1.00 0.00 O ATOM 0 H GLU B 36 9.018 12.982 -3.937 1.00 0.00 H new ATOM 0 HA GLU B 36 8.298 13.421 -6.601 1.00 0.00 H new ATOM 0 HB2 GLU B 36 7.955 14.869 -4.488 1.00 0.00 H new ATOM 0 HB3 GLU B 36 9.584 15.456 -4.758 1.00 0.00 H new ATOM 0 HG2 GLU B 36 7.690 16.875 -5.711 1.00 0.00 H new ATOM 0 HG3 GLU B 36 9.010 16.500 -6.802 1.00 0.00 H new ATOM 858 N GLY B 37 10.248 13.997 -7.996 1.00 0.00 N ATOM 859 CA GLY B 37 11.393 14.140 -8.871 1.00 0.00 C ATOM 860 C GLY B 37 12.282 12.910 -8.898 1.00 0.00 C ATOM 861 O GLY B 37 13.499 13.025 -9.049 1.00 0.00 O ATOM 0 H GLY B 37 9.347 14.026 -8.473 1.00 0.00 H new ATOM 0 HA2 GLY B 37 11.045 14.351 -9.882 1.00 0.00 H new ATOM 0 HA3 GLY B 37 11.982 14.999 -8.550 1.00 0.00 H new ATOM 865 N LYS B 38 11.697 11.738 -8.689 1.00 0.00 N ATOM 866 CA LYS B 38 12.460 10.496 -8.708 1.00 0.00 C ATOM 867 C LYS B 38 12.046 9.622 -9.881 1.00 0.00 C ATOM 868 O LYS B 38 10.909 9.686 -10.344 1.00 0.00 O ATOM 869 CB LYS B 38 12.302 9.733 -7.392 1.00 0.00 C ATOM 870 CG LYS B 38 12.906 10.460 -6.201 1.00 0.00 C ATOM 871 CD LYS B 38 14.383 10.751 -6.408 1.00 0.00 C ATOM 872 CE LYS B 38 14.796 12.046 -5.726 1.00 0.00 C ATOM 873 NZ LYS B 38 14.145 13.233 -6.345 1.00 0.00 N ATOM 0 H LYS B 38 10.701 11.621 -8.505 1.00 0.00 H new ATOM 0 HA LYS B 38 13.512 10.756 -8.827 1.00 0.00 H new ATOM 0 HB2 LYS B 38 11.242 9.561 -7.205 1.00 0.00 H new ATOM 0 HB3 LYS B 38 12.772 8.754 -7.488 1.00 0.00 H new ATOM 0 HG2 LYS B 38 12.371 11.395 -6.036 1.00 0.00 H new ATOM 0 HG3 LYS B 38 12.777 9.856 -5.303 1.00 0.00 H new ATOM 0 HD2 LYS B 38 14.976 9.926 -6.014 1.00 0.00 H new ATOM 0 HD3 LYS B 38 14.596 10.816 -7.475 1.00 0.00 H new ATOM 0 HE2 LYS B 38 14.534 11.999 -4.669 1.00 0.00 H new ATOM 0 HE3 LYS B 38 15.879 12.156 -5.782 1.00 0.00 H new ATOM 0 HZ1 LYS B 38 14.610 14.100 -6.008 1.00 0.00 H new ATOM 0 HZ2 LYS B 38 14.230 13.175 -7.380 1.00 0.00 H new ATOM 0 HZ3 LYS B 38 13.139 13.255 -6.081 1.00 0.00 H new ATOM 887 N ASP B 39 12.979 8.810 -10.350 1.00 0.00 N ATOM 888 CA ASP B 39 12.738 7.915 -11.475 1.00 0.00 C ATOM 889 C ASP B 39 12.451 6.498 -10.990 1.00 0.00 C ATOM 890 O ASP B 39 11.985 5.649 -11.749 1.00 0.00 O ATOM 891 CB ASP B 39 13.965 7.899 -12.395 1.00 0.00 C ATOM 892 CG ASP B 39 15.181 7.264 -11.737 1.00 0.00 C ATOM 893 OD1 ASP B 39 15.373 7.452 -10.511 1.00 0.00 O ATOM 894 OD2 ASP B 39 15.952 6.575 -12.436 1.00 0.00 O ATOM 0 H ASP B 39 13.922 8.751 -9.965 1.00 0.00 H new ATOM 0 HA ASP B 39 11.869 8.279 -12.023 1.00 0.00 H new ATOM 0 HB2 ASP B 39 13.724 7.353 -13.307 1.00 0.00 H new ATOM 0 HB3 ASP B 39 14.207 8.920 -12.689 1.00 0.00 H new ATOM 899 N ARG B 40 12.719 6.250 -9.717 1.00 0.00 N ATOM 900 CA ARG B 40 12.513 4.931 -9.141 1.00 0.00 C ATOM 901 C ARG B 40 11.582 4.985 -7.937 1.00 0.00 C ATOM 902 O ARG B 40 11.577 5.958 -7.180 1.00 0.00 O ATOM 903 CB ARG B 40 13.857 4.319 -8.743 1.00 0.00 C ATOM 904 CG ARG B 40 14.692 5.208 -7.832 1.00 0.00 C ATOM 905 CD ARG B 40 16.178 5.001 -8.067 1.00 0.00 C ATOM 906 NE ARG B 40 16.555 5.305 -9.447 1.00 0.00 N ATOM 907 CZ ARG B 40 17.506 4.669 -10.128 1.00 0.00 C ATOM 908 NH1 ARG B 40 18.237 3.726 -9.542 1.00 0.00 N ATOM 909 NH2 ARG B 40 17.724 4.982 -11.397 1.00 0.00 N ATOM 0 H ARG B 40 13.080 6.945 -9.064 1.00 0.00 H new ATOM 0 HA ARG B 40 12.040 4.304 -9.897 1.00 0.00 H new ATOM 0 HB2 ARG B 40 13.678 3.368 -8.242 1.00 0.00 H new ATOM 0 HB3 ARG B 40 14.428 4.102 -9.646 1.00 0.00 H new ATOM 0 HG2 ARG B 40 14.436 6.253 -8.007 1.00 0.00 H new ATOM 0 HG3 ARG B 40 14.453 4.991 -6.791 1.00 0.00 H new ATOM 0 HD2 ARG B 40 16.746 5.635 -7.386 1.00 0.00 H new ATOM 0 HD3 ARG B 40 16.443 3.969 -7.836 1.00 0.00 H new ATOM 0 HE ARG B 40 16.054 6.057 -9.921 1.00 0.00 H new ATOM 0 HH11 ARG B 40 18.071 3.486 -8.565 1.00 0.00 H new ATOM 0 HH12 ARG B 40 18.964 3.243 -10.070 1.00 0.00 H new ATOM 0 HH21 ARG B 40 17.165 5.707 -11.847 1.00 0.00 H new ATOM 0 HH22 ARG B 40 18.451 4.498 -11.924 1.00 0.00 H new ATOM 923 N PHE B 41 10.802 3.927 -7.771 1.00 0.00 N ATOM 924 CA PHE B 41 9.864 3.826 -6.663 1.00 0.00 C ATOM 925 C PHE B 41 10.559 3.237 -5.445 1.00 0.00 C ATOM 926 O PHE B 41 11.104 2.136 -5.510 1.00 0.00 O ATOM 927 CB PHE B 41 8.671 2.940 -7.045 1.00 0.00 C ATOM 928 CG PHE B 41 7.900 3.419 -8.244 1.00 0.00 C ATOM 929 CD1 PHE B 41 6.777 4.216 -8.090 1.00 0.00 C ATOM 930 CD2 PHE B 41 8.297 3.069 -9.526 1.00 0.00 C ATOM 931 CE1 PHE B 41 6.065 4.654 -9.188 1.00 0.00 C ATOM 932 CE2 PHE B 41 7.589 3.505 -10.629 1.00 0.00 C ATOM 933 CZ PHE B 41 6.471 4.299 -10.460 1.00 0.00 C ATOM 0 H PHE B 41 10.801 3.120 -8.395 1.00 0.00 H new ATOM 0 HA PHE B 41 9.502 4.827 -6.429 1.00 0.00 H new ATOM 0 HB2 PHE B 41 9.032 1.930 -7.240 1.00 0.00 H new ATOM 0 HB3 PHE B 41 7.993 2.877 -6.194 1.00 0.00 H new ATOM 0 HD1 PHE B 41 6.455 4.498 -7.098 1.00 0.00 H new ATOM 0 HD2 PHE B 41 9.170 2.448 -9.663 1.00 0.00 H new ATOM 0 HE1 PHE B 41 5.191 5.274 -9.053 1.00 0.00 H new ATOM 0 HE2 PHE B 41 7.909 3.226 -11.622 1.00 0.00 H new ATOM 0 HZ PHE B 41 5.916 4.641 -11.321 1.00 0.00 H new ATOM 943 N THR B 42 10.559 3.973 -4.345 1.00 0.00 N ATOM 944 CA THR B 42 11.182 3.501 -3.119 1.00 0.00 C ATOM 945 C THR B 42 10.199 2.649 -2.329 1.00 0.00 C ATOM 946 O THR B 42 10.588 1.810 -1.516 1.00 0.00 O ATOM 947 CB THR B 42 11.658 4.679 -2.254 1.00 0.00 C ATOM 948 OG1 THR B 42 10.728 5.765 -2.367 1.00 0.00 O ATOM 949 CG2 THR B 42 13.043 5.142 -2.685 1.00 0.00 C ATOM 0 H THR B 42 10.135 4.898 -4.276 1.00 0.00 H new ATOM 0 HA THR B 42 12.049 2.899 -3.390 1.00 0.00 H new ATOM 0 HB THR B 42 11.712 4.348 -1.217 1.00 0.00 H new ATOM 0 HG1 THR B 42 10.941 6.449 -1.698 1.00 0.00 H new ATOM 0 HG21 THR B 42 13.359 5.976 -2.059 1.00 0.00 H new ATOM 0 HG22 THR B 42 13.751 4.320 -2.579 1.00 0.00 H new ATOM 0 HG23 THR B 42 13.012 5.462 -3.727 1.00 0.00 H new ATOM 957 N ILE B 43 8.920 2.876 -2.579 1.00 0.00 N ATOM 958 CA ILE B 43 7.864 2.138 -1.916 1.00 0.00 C ATOM 959 C ILE B 43 7.287 1.095 -2.859 1.00 0.00 C ATOM 960 O ILE B 43 6.786 1.428 -3.930 1.00 0.00 O ATOM 961 CB ILE B 43 6.736 3.080 -1.431 1.00 0.00 C ATOM 962 CG1 ILE B 43 7.204 3.878 -0.212 1.00 0.00 C ATOM 963 CG2 ILE B 43 5.465 2.304 -1.105 1.00 0.00 C ATOM 964 CD1 ILE B 43 7.623 3.014 0.957 1.00 0.00 C ATOM 0 H ILE B 43 8.588 3.574 -3.244 1.00 0.00 H new ATOM 0 HA ILE B 43 8.297 1.646 -1.045 1.00 0.00 H new ATOM 0 HB ILE B 43 6.503 3.772 -2.240 1.00 0.00 H new ATOM 0 HG12 ILE B 43 8.042 4.511 -0.503 1.00 0.00 H new ATOM 0 HG13 ILE B 43 6.400 4.541 0.108 1.00 0.00 H new ATOM 0 HG21 ILE B 43 4.693 2.995 -0.767 1.00 0.00 H new ATOM 0 HG22 ILE B 43 5.119 1.781 -1.997 1.00 0.00 H new ATOM 0 HG23 ILE B 43 5.673 1.580 -0.317 1.00 0.00 H new ATOM 0 HD11 ILE B 43 7.942 3.649 1.783 1.00 0.00 H new ATOM 0 HD12 ILE B 43 6.781 2.400 1.276 1.00 0.00 H new ATOM 0 HD13 ILE B 43 8.449 2.369 0.655 1.00 0.00 H new ATOM 976 N SER B 44 7.400 -0.162 -2.474 1.00 0.00 N ATOM 977 CA SER B 44 6.875 -1.256 -3.266 1.00 0.00 C ATOM 978 C SER B 44 6.423 -2.374 -2.338 1.00 0.00 C ATOM 979 O SER B 44 7.241 -3.130 -1.818 1.00 0.00 O ATOM 980 CB SER B 44 7.932 -1.764 -4.254 1.00 0.00 C ATOM 981 OG SER B 44 7.409 -2.782 -5.095 1.00 0.00 O ATOM 0 H SER B 44 7.856 -0.452 -1.609 1.00 0.00 H new ATOM 0 HA SER B 44 6.021 -0.904 -3.845 1.00 0.00 H new ATOM 0 HB2 SER B 44 8.290 -0.935 -4.864 1.00 0.00 H new ATOM 0 HB3 SER B 44 8.791 -2.150 -3.704 1.00 0.00 H new ATOM 0 HG SER B 44 8.106 -3.084 -5.715 1.00 0.00 H new ATOM 987 N HIS B 45 5.122 -2.461 -2.115 1.00 0.00 N ATOM 988 CA HIS B 45 4.569 -3.483 -1.238 1.00 0.00 C ATOM 989 C HIS B 45 3.518 -4.290 -1.972 1.00 0.00 C ATOM 990 O HIS B 45 2.638 -3.722 -2.621 1.00 0.00 O ATOM 991 CB HIS B 45 3.935 -2.853 0.008 1.00 0.00 C ATOM 992 CG HIS B 45 4.805 -1.855 0.705 1.00 0.00 C ATOM 993 ND1 HIS B 45 5.841 -2.189 1.547 1.00 0.00 N ATOM 994 CD2 HIS B 45 4.780 -0.500 0.659 1.00 0.00 C ATOM 995 CE1 HIS B 45 6.403 -1.053 1.977 1.00 0.00 C ATOM 996 NE2 HIS B 45 5.797 0.001 1.464 1.00 0.00 N ATOM 0 H HIS B 45 4.429 -1.837 -2.528 1.00 0.00 H new ATOM 0 HA HIS B 45 5.386 -4.135 -0.930 1.00 0.00 H new ATOM 0 HB2 HIS B 45 3.003 -2.367 -0.280 1.00 0.00 H new ATOM 0 HB3 HIS B 45 3.677 -3.646 0.710 1.00 0.00 H new ATOM 0 HD1 HIS B 45 6.129 -3.134 1.799 1.00 0.00 H new ATOM 0 HD2 HIS B 45 4.082 0.095 0.089 1.00 0.00 H new ATOM 0 HE1 HIS B 45 7.242 -1.005 2.655 1.00 0.00 H new ATOM 1004 N MET B 46 3.605 -5.605 -1.878 1.00 0.00 N ATOM 1005 CA MET B 46 2.638 -6.463 -2.533 1.00 0.00 C ATOM 1006 C MET B 46 1.402 -6.558 -1.661 1.00 0.00 C ATOM 1007 O MET B 46 1.508 -6.579 -0.440 1.00 0.00 O ATOM 1008 CB MET B 46 3.218 -7.861 -2.774 1.00 0.00 C ATOM 1009 CG MET B 46 4.413 -7.881 -3.715 1.00 0.00 C ATOM 1010 SD MET B 46 3.951 -7.603 -5.437 1.00 0.00 S ATOM 1011 CE MET B 46 2.887 -9.016 -5.733 1.00 0.00 C ATOM 0 H MET B 46 4.331 -6.098 -1.358 1.00 0.00 H new ATOM 0 HA MET B 46 2.381 -6.036 -3.503 1.00 0.00 H new ATOM 0 HB2 MET B 46 3.515 -8.290 -1.817 1.00 0.00 H new ATOM 0 HB3 MET B 46 2.437 -8.502 -3.182 1.00 0.00 H new ATOM 0 HG2 MET B 46 5.125 -7.116 -3.407 1.00 0.00 H new ATOM 0 HG3 MET B 46 4.921 -8.842 -3.630 1.00 0.00 H new ATOM 0 HE1 MET B 46 2.892 -9.259 -6.796 1.00 0.00 H new ATOM 0 HE2 MET B 46 3.251 -9.871 -5.164 1.00 0.00 H new ATOM 0 HE3 MET B 46 1.870 -8.778 -5.420 1.00 0.00 H new ATOM 1021 N TYR B 47 0.233 -6.607 -2.284 1.00 0.00 N ATOM 1022 CA TYR B 47 -1.031 -6.703 -1.548 1.00 0.00 C ATOM 1023 C TYR B 47 -1.033 -7.932 -0.641 1.00 0.00 C ATOM 1024 O TYR B 47 -1.723 -7.968 0.375 1.00 0.00 O ATOM 1025 CB TYR B 47 -2.193 -6.772 -2.540 1.00 0.00 C ATOM 1026 CG TYR B 47 -2.346 -5.514 -3.368 1.00 0.00 C ATOM 1027 CD1 TYR B 47 -2.925 -5.551 -4.628 1.00 0.00 C ATOM 1028 CD2 TYR B 47 -1.910 -4.288 -2.885 1.00 0.00 C ATOM 1029 CE1 TYR B 47 -3.066 -4.399 -5.377 1.00 0.00 C ATOM 1030 CE2 TYR B 47 -2.048 -3.136 -3.626 1.00 0.00 C ATOM 1031 CZ TYR B 47 -2.627 -3.195 -4.870 1.00 0.00 C ATOM 1032 OH TYR B 47 -2.768 -2.047 -5.610 1.00 0.00 O ATOM 0 H TYR B 47 0.128 -6.582 -3.298 1.00 0.00 H new ATOM 0 HA TYR B 47 -1.145 -5.819 -0.920 1.00 0.00 H new ATOM 0 HB2 TYR B 47 -2.043 -7.622 -3.206 1.00 0.00 H new ATOM 0 HB3 TYR B 47 -3.118 -6.954 -1.994 1.00 0.00 H new ATOM 0 HD1 TYR B 47 -3.270 -6.493 -5.029 1.00 0.00 H new ATOM 0 HD2 TYR B 47 -1.453 -4.237 -1.908 1.00 0.00 H new ATOM 0 HE1 TYR B 47 -3.519 -4.442 -6.357 1.00 0.00 H new ATOM 0 HE2 TYR B 47 -1.703 -2.192 -3.231 1.00 0.00 H new ATOM 0 HH TYR B 47 -2.773 -2.271 -6.564 1.00 0.00 H new ATOM 1042 N ALA B 48 -0.219 -8.916 -1.002 1.00 0.00 N ATOM 1043 CA ALA B 48 -0.110 -10.151 -0.242 1.00 0.00 C ATOM 1044 C ALA B 48 0.583 -9.936 1.103 1.00 0.00 C ATOM 1045 O ALA B 48 0.317 -10.667 2.051 1.00 0.00 O ATOM 1046 CB ALA B 48 0.640 -11.195 -1.056 1.00 0.00 C ATOM 0 H ALA B 48 0.381 -8.879 -1.826 1.00 0.00 H new ATOM 0 HA ALA B 48 -1.121 -10.503 -0.036 1.00 0.00 H new ATOM 0 HB1 ALA B 48 0.718 -12.118 -0.481 1.00 0.00 H new ATOM 0 HB2 ALA B 48 0.101 -11.390 -1.983 1.00 0.00 H new ATOM 0 HB3 ALA B 48 1.639 -10.826 -1.288 1.00 0.00 H new ATOM 1052 N ASP B 49 1.454 -8.924 1.180 1.00 0.00 N ATOM 1053 CA ASP B 49 2.197 -8.624 2.401 1.00 0.00 C ATOM 1054 C ASP B 49 1.464 -7.584 3.234 1.00 0.00 C ATOM 1055 O ASP B 49 1.864 -7.274 4.363 1.00 0.00 O ATOM 1056 CB ASP B 49 3.576 -8.055 2.102 1.00 0.00 C ATOM 1057 CG ASP B 49 4.184 -8.525 0.791 1.00 0.00 C ATOM 1058 OD1 ASP B 49 4.281 -9.750 0.572 1.00 0.00 O ATOM 1059 OD2 ASP B 49 4.571 -7.653 -0.024 1.00 0.00 O ATOM 0 H ASP B 49 1.660 -8.297 0.403 1.00 0.00 H new ATOM 0 HA ASP B 49 2.290 -9.568 2.938 1.00 0.00 H new ATOM 0 HB2 ASP B 49 3.510 -6.967 2.087 1.00 0.00 H new ATOM 0 HB3 ASP B 49 4.249 -8.323 2.916 1.00 0.00 H new ATOM 1064 N ILE B 50 0.405 -7.031 2.682 1.00 0.00 N ATOM 1065 CA ILE B 50 -0.368 -6.036 3.396 1.00 0.00 C ATOM 1066 C ILE B 50 -1.419 -6.766 4.222 1.00 0.00 C ATOM 1067 O ILE B 50 -2.121 -7.630 3.700 1.00 0.00 O ATOM 1068 CB ILE B 50 -1.079 -5.053 2.442 1.00 0.00 C ATOM 1069 CG1 ILE B 50 -0.227 -4.763 1.200 1.00 0.00 C ATOM 1070 CG2 ILE B 50 -1.420 -3.764 3.169 1.00 0.00 C ATOM 1071 CD1 ILE B 50 0.893 -3.772 1.419 1.00 0.00 C ATOM 0 H ILE B 50 0.061 -7.251 1.747 1.00 0.00 H new ATOM 0 HA ILE B 50 0.310 -5.454 4.021 1.00 0.00 H new ATOM 0 HB ILE B 50 -2.004 -5.522 2.106 1.00 0.00 H new ATOM 0 HG12 ILE B 50 0.200 -5.700 0.842 1.00 0.00 H new ATOM 0 HG13 ILE B 50 -0.877 -4.387 0.410 1.00 0.00 H new ATOM 0 HG21 ILE B 50 -1.921 -3.081 2.483 1.00 0.00 H new ATOM 0 HG22 ILE B 50 -2.079 -3.983 4.009 1.00 0.00 H new ATOM 0 HG23 ILE B 50 -0.505 -3.301 3.538 1.00 0.00 H new ATOM 0 HD11 ILE B 50 1.440 -3.630 0.487 1.00 0.00 H new ATOM 0 HD12 ILE B 50 0.477 -2.819 1.744 1.00 0.00 H new ATOM 0 HD13 ILE B 50 1.571 -4.152 2.184 1.00 0.00 H new ATOM 1083 N LYS B 51 -1.536 -6.443 5.498 1.00 0.00 N ATOM 1084 CA LYS B 51 -2.507 -7.115 6.340 1.00 0.00 C ATOM 1085 C LYS B 51 -3.843 -6.404 6.252 1.00 0.00 C ATOM 1086 O LYS B 51 -4.900 -7.029 6.260 1.00 0.00 O ATOM 1087 CB LYS B 51 -2.057 -7.160 7.795 1.00 0.00 C ATOM 1088 CG LYS B 51 -2.902 -8.106 8.625 1.00 0.00 C ATOM 1089 CD LYS B 51 -3.226 -7.529 9.984 1.00 0.00 C ATOM 1090 CE LYS B 51 -4.611 -6.901 9.992 1.00 0.00 C ATOM 1091 NZ LYS B 51 -5.216 -6.880 11.351 1.00 0.00 N ATOM 0 H LYS B 51 -0.979 -5.730 5.968 1.00 0.00 H new ATOM 0 HA LYS B 51 -2.602 -8.140 5.981 1.00 0.00 H new ATOM 0 HB2 LYS B 51 -1.013 -7.471 7.842 1.00 0.00 H new ATOM 0 HB3 LYS B 51 -2.110 -6.158 8.221 1.00 0.00 H new ATOM 0 HG2 LYS B 51 -3.828 -8.326 8.094 1.00 0.00 H new ATOM 0 HG3 LYS B 51 -2.373 -9.051 8.749 1.00 0.00 H new ATOM 0 HD2 LYS B 51 -3.174 -8.314 10.738 1.00 0.00 H new ATOM 0 HD3 LYS B 51 -2.481 -6.780 10.252 1.00 0.00 H new ATOM 0 HE2 LYS B 51 -4.547 -5.882 9.610 1.00 0.00 H new ATOM 0 HE3 LYS B 51 -5.262 -7.455 9.316 1.00 0.00 H new ATOM 0 HZ1 LYS B 51 -6.159 -6.443 11.305 1.00 0.00 H new ATOM 0 HZ2 LYS B 51 -5.303 -7.853 11.707 1.00 0.00 H new ATOM 0 HZ3 LYS B 51 -4.610 -6.329 11.992 1.00 0.00 H new ATOM 1105 N CYS B 52 -3.771 -5.090 6.175 1.00 0.00 N ATOM 1106 CA CYS B 52 -4.944 -4.255 6.101 1.00 0.00 C ATOM 1107 C CYS B 52 -4.510 -2.825 5.821 1.00 0.00 C ATOM 1108 O CYS B 52 -3.319 -2.562 5.658 1.00 0.00 O ATOM 1109 CB CYS B 52 -5.702 -4.342 7.422 1.00 0.00 C ATOM 1110 SG CYS B 52 -4.704 -3.922 8.866 1.00 0.00 S ATOM 0 H CYS B 52 -2.892 -4.573 6.162 1.00 0.00 H new ATOM 0 HA CYS B 52 -5.603 -4.588 5.299 1.00 0.00 H new ATOM 0 HB2 CYS B 52 -6.563 -3.674 7.381 1.00 0.00 H new ATOM 0 HB3 CYS B 52 -6.089 -5.354 7.542 1.00 0.00 H new ATOM 0 HG CYS B 52 -3.512 -4.423 8.730 1.00 0.00 H new ATOM 1116 N GLN B 53 -5.452 -1.903 5.756 1.00 0.00 N ATOM 1117 CA GLN B 53 -5.110 -0.518 5.504 1.00 0.00 C ATOM 1118 C GLN B 53 -6.010 0.427 6.295 1.00 0.00 C ATOM 1119 O GLN B 53 -7.205 0.175 6.456 1.00 0.00 O ATOM 1120 CB GLN B 53 -5.180 -0.202 4.009 1.00 0.00 C ATOM 1121 CG GLN B 53 -6.359 -0.835 3.280 1.00 0.00 C ATOM 1122 CD GLN B 53 -7.506 0.128 3.038 1.00 0.00 C ATOM 1123 OE1 GLN B 53 -7.315 1.341 2.952 1.00 0.00 O ATOM 1124 NE2 GLN B 53 -8.705 -0.412 2.909 1.00 0.00 N ATOM 0 H GLN B 53 -6.449 -2.086 5.873 1.00 0.00 H new ATOM 0 HA GLN B 53 -4.084 -0.365 5.839 1.00 0.00 H new ATOM 0 HB2 GLN B 53 -5.230 0.879 3.882 1.00 0.00 H new ATOM 0 HB3 GLN B 53 -4.256 -0.536 3.537 1.00 0.00 H new ATOM 0 HG2 GLN B 53 -6.016 -1.228 2.323 1.00 0.00 H new ATOM 0 HG3 GLN B 53 -6.723 -1.683 3.861 1.00 0.00 H new ATOM 0 HE21 GLN B 53 -8.820 -1.422 2.987 1.00 0.00 H new ATOM 0 HE22 GLN B 53 -9.515 0.182 2.731 1.00 0.00 H new ATOM 1133 N LYS B 54 -5.421 1.498 6.814 1.00 0.00 N ATOM 1134 CA LYS B 54 -6.168 2.494 7.568 1.00 0.00 C ATOM 1135 C LYS B 54 -6.315 3.751 6.730 1.00 0.00 C ATOM 1136 O LYS B 54 -5.509 4.000 5.835 1.00 0.00 O ATOM 1137 CB LYS B 54 -5.443 2.929 8.847 1.00 0.00 C ATOM 1138 CG LYS B 54 -5.357 1.930 9.982 1.00 0.00 C ATOM 1139 CD LYS B 54 -4.888 2.655 11.239 1.00 0.00 C ATOM 1140 CE LYS B 54 -4.547 1.733 12.400 1.00 0.00 C ATOM 1141 NZ LYS B 54 -3.760 0.545 11.968 1.00 0.00 N ATOM 0 H LYS B 54 -4.425 1.698 6.725 1.00 0.00 H new ATOM 0 HA LYS B 54 -7.123 2.035 7.821 1.00 0.00 H new ATOM 0 HB2 LYS B 54 -4.427 3.216 8.575 1.00 0.00 H new ATOM 0 HB3 LYS B 54 -5.937 3.824 9.225 1.00 0.00 H new ATOM 0 HG2 LYS B 54 -6.329 1.468 10.153 1.00 0.00 H new ATOM 0 HG3 LYS B 54 -4.664 1.128 9.728 1.00 0.00 H new ATOM 0 HD2 LYS B 54 -4.010 3.252 10.994 1.00 0.00 H new ATOM 0 HD3 LYS B 54 -5.667 3.348 11.557 1.00 0.00 H new ATOM 0 HE2 LYS B 54 -3.981 2.289 13.148 1.00 0.00 H new ATOM 0 HE3 LYS B 54 -5.468 1.401 12.879 1.00 0.00 H new ATOM 0 HZ1 LYS B 54 -3.352 0.077 12.802 1.00 0.00 H new ATOM 0 HZ2 LYS B 54 -4.383 -0.121 11.468 1.00 0.00 H new ATOM 0 HZ3 LYS B 54 -2.995 0.848 11.332 1.00 0.00 H new ATOM 1155 N ILE B 55 -7.329 4.541 7.023 1.00 0.00 N ATOM 1156 CA ILE B 55 -7.520 5.807 6.343 1.00 0.00 C ATOM 1157 C ILE B 55 -7.766 6.865 7.412 1.00 0.00 C ATOM 1158 O ILE B 55 -8.534 6.639 8.349 1.00 0.00 O ATOM 1159 CB ILE B 55 -8.674 5.788 5.294 1.00 0.00 C ATOM 1160 CG1 ILE B 55 -10.020 6.208 5.885 1.00 0.00 C ATOM 1161 CG2 ILE B 55 -8.805 4.403 4.679 1.00 0.00 C ATOM 1162 CD1 ILE B 55 -10.837 7.057 4.931 1.00 0.00 C ATOM 0 H ILE B 55 -8.034 4.328 7.728 1.00 0.00 H new ATOM 0 HA ILE B 55 -6.624 6.030 5.763 1.00 0.00 H new ATOM 0 HB ILE B 55 -8.409 6.517 4.528 1.00 0.00 H new ATOM 0 HG12 ILE B 55 -10.589 5.317 6.151 1.00 0.00 H new ATOM 0 HG13 ILE B 55 -9.850 6.765 6.806 1.00 0.00 H new ATOM 0 HG21 ILE B 55 -9.614 4.404 3.949 1.00 0.00 H new ATOM 0 HG22 ILE B 55 -7.871 4.134 4.185 1.00 0.00 H new ATOM 0 HG23 ILE B 55 -9.024 3.677 5.462 1.00 0.00 H new ATOM 0 HD11 ILE B 55 -11.782 7.327 5.402 1.00 0.00 H new ATOM 0 HD12 ILE B 55 -10.283 7.963 4.685 1.00 0.00 H new ATOM 0 HD13 ILE B 55 -11.034 6.493 4.019 1.00 0.00 H new ATOM 1174 N SER B 56 -7.070 7.982 7.329 1.00 0.00 N ATOM 1175 CA SER B 56 -7.238 9.022 8.318 1.00 0.00 C ATOM 1176 C SER B 56 -8.278 10.010 7.830 1.00 0.00 C ATOM 1177 O SER B 56 -8.126 10.623 6.749 1.00 0.00 O ATOM 1178 CB SER B 56 -5.918 9.714 8.639 1.00 0.00 C ATOM 1179 OG SER B 56 -5.701 10.833 7.812 1.00 0.00 O ATOM 0 H SER B 56 -6.392 8.189 6.596 1.00 0.00 H new ATOM 0 HA SER B 56 -7.584 8.571 9.248 1.00 0.00 H new ATOM 0 HB2 SER B 56 -5.916 10.027 9.683 1.00 0.00 H new ATOM 0 HB3 SER B 56 -5.098 9.007 8.517 1.00 0.00 H new ATOM 0 HG SER B 56 -5.623 11.638 8.365 1.00 0.00 H new ATOM 1185 N PRO B 57 -9.340 10.141 8.641 1.00 0.00 N ATOM 1186 CA PRO B 57 -10.508 10.993 8.380 1.00 0.00 C ATOM 1187 C PRO B 57 -10.236 12.488 8.479 1.00 0.00 C ATOM 1188 O PRO B 57 -9.149 12.926 8.862 1.00 0.00 O ATOM 1189 CB PRO B 57 -11.483 10.582 9.489 1.00 0.00 C ATOM 1190 CG PRO B 57 -10.599 10.148 10.604 1.00 0.00 C ATOM 1191 CD PRO B 57 -9.459 9.448 9.940 1.00 0.00 C ATOM 0 HA PRO B 57 -10.864 10.852 7.360 1.00 0.00 H new ATOM 0 HB2 PRO B 57 -12.122 11.413 9.787 1.00 0.00 H new ATOM 0 HB3 PRO B 57 -12.140 9.776 9.164 1.00 0.00 H new ATOM 0 HG2 PRO B 57 -10.253 11.000 11.188 1.00 0.00 H new ATOM 0 HG3 PRO B 57 -11.125 9.484 11.290 1.00 0.00 H new ATOM 0 HD2 PRO B 57 -8.542 9.530 10.524 1.00 0.00 H new ATOM 0 HD3 PRO B 57 -9.661 8.385 9.811 1.00 0.00 H new ATOM 1199 N GLU B 58 -11.247 13.254 8.097 1.00 0.00 N ATOM 1200 CA GLU B 58 -11.201 14.702 8.144 1.00 0.00 C ATOM 1201 C GLU B 58 -11.072 15.177 9.587 1.00 0.00 C ATOM 1202 O GLU B 58 -11.390 14.447 10.528 1.00 0.00 O ATOM 1203 CB GLU B 58 -12.458 15.299 7.497 1.00 0.00 C ATOM 1204 CG GLU B 58 -12.524 15.122 5.983 1.00 0.00 C ATOM 1205 CD GLU B 58 -12.508 13.666 5.552 1.00 0.00 C ATOM 1206 OE1 GLU B 58 -11.820 13.346 4.564 1.00 0.00 O ATOM 1207 OE2 GLU B 58 -13.157 12.837 6.222 1.00 0.00 O ATOM 0 H GLU B 58 -12.128 12.882 7.743 1.00 0.00 H new ATOM 0 HA GLU B 58 -10.330 15.041 7.584 1.00 0.00 H new ATOM 0 HB2 GLU B 58 -13.338 14.837 7.945 1.00 0.00 H new ATOM 0 HB3 GLU B 58 -12.503 16.363 7.730 1.00 0.00 H new ATOM 0 HG2 GLU B 58 -13.431 15.596 5.607 1.00 0.00 H new ATOM 0 HG3 GLU B 58 -11.681 15.639 5.526 1.00 0.00 H new ATOM 1214 N GLY B 59 -10.626 16.405 9.751 1.00 0.00 N ATOM 1215 CA GLY B 59 -10.420 16.959 11.073 1.00 0.00 C ATOM 1216 C GLY B 59 -8.949 17.199 11.295 1.00 0.00 C ATOM 1217 O GLY B 59 -8.552 18.099 12.031 1.00 0.00 O ATOM 0 H GLY B 59 -10.399 17.039 8.985 1.00 0.00 H new ATOM 0 HA2 GLY B 59 -10.971 17.894 11.177 1.00 0.00 H new ATOM 0 HA3 GLY B 59 -10.806 16.275 11.829 1.00 0.00 H new ATOM 1221 N LYS B 60 -8.148 16.382 10.631 1.00 0.00 N ATOM 1222 CA LYS B 60 -6.706 16.507 10.678 1.00 0.00 C ATOM 1223 C LYS B 60 -6.277 17.486 9.612 1.00 0.00 C ATOM 1224 O LYS B 60 -7.021 17.753 8.666 1.00 0.00 O ATOM 1225 CB LYS B 60 -6.026 15.156 10.430 1.00 0.00 C ATOM 1226 CG LYS B 60 -5.762 14.350 11.686 1.00 0.00 C ATOM 1227 CD LYS B 60 -4.955 13.093 11.380 1.00 0.00 C ATOM 1228 CE LYS B 60 -4.239 12.558 12.615 1.00 0.00 C ATOM 1229 NZ LYS B 60 -4.815 13.106 13.873 1.00 0.00 N ATOM 0 H LYS B 60 -8.481 15.616 10.046 1.00 0.00 H new ATOM 0 HA LYS B 60 -6.412 16.858 11.667 1.00 0.00 H new ATOM 0 HB2 LYS B 60 -6.650 14.566 9.759 1.00 0.00 H new ATOM 0 HB3 LYS B 60 -5.080 15.328 9.917 1.00 0.00 H new ATOM 0 HG2 LYS B 60 -5.223 14.964 12.408 1.00 0.00 H new ATOM 0 HG3 LYS B 60 -6.709 14.073 12.148 1.00 0.00 H new ATOM 0 HD2 LYS B 60 -5.618 12.324 10.984 1.00 0.00 H new ATOM 0 HD3 LYS B 60 -4.223 13.313 10.603 1.00 0.00 H new ATOM 0 HE2 LYS B 60 -4.305 11.470 12.630 1.00 0.00 H new ATOM 0 HE3 LYS B 60 -3.181 12.813 12.560 1.00 0.00 H new ATOM 0 HZ1 LYS B 60 -4.471 12.551 14.683 1.00 0.00 H new ATOM 0 HZ2 LYS B 60 -4.524 14.098 13.985 1.00 0.00 H new ATOM 0 HZ3 LYS B 60 -5.853 13.052 13.832 1.00 0.00 H new ATOM 1243 N ALA B 61 -5.086 18.021 9.761 1.00 0.00 N ATOM 1244 CA ALA B 61 -4.561 18.960 8.790 1.00 0.00 C ATOM 1245 C ALA B 61 -4.043 18.210 7.587 1.00 0.00 C ATOM 1246 O ALA B 61 -3.716 18.798 6.557 1.00 0.00 O ATOM 1247 CB ALA B 61 -3.451 19.776 9.404 1.00 0.00 C ATOM 0 H ALA B 61 -4.462 17.824 10.543 1.00 0.00 H new ATOM 0 HA ALA B 61 -5.360 19.633 8.478 1.00 0.00 H new ATOM 0 HB1 ALA B 61 -3.064 20.478 8.665 1.00 0.00 H new ATOM 0 HB2 ALA B 61 -3.836 20.327 10.262 1.00 0.00 H new ATOM 0 HB3 ALA B 61 -2.649 19.113 9.729 1.00 0.00 H new ATOM 1253 N LYS B 62 -3.975 16.904 7.730 1.00 0.00 N ATOM 1254 CA LYS B 62 -3.486 16.064 6.674 1.00 0.00 C ATOM 1255 C LYS B 62 -4.388 14.846 6.474 1.00 0.00 C ATOM 1256 O LYS B 62 -4.750 14.168 7.432 1.00 0.00 O ATOM 1257 CB LYS B 62 -2.055 15.616 6.992 1.00 0.00 C ATOM 1258 CG LYS B 62 -1.832 15.248 8.454 1.00 0.00 C ATOM 1259 CD LYS B 62 -0.458 14.636 8.689 1.00 0.00 C ATOM 1260 CE LYS B 62 -0.231 13.410 7.818 1.00 0.00 C ATOM 1261 NZ LYS B 62 0.463 12.315 8.548 1.00 0.00 N ATOM 0 H LYS B 62 -4.255 16.405 8.574 1.00 0.00 H new ATOM 0 HA LYS B 62 -3.489 16.638 5.748 1.00 0.00 H new ATOM 0 HB2 LYS B 62 -1.807 14.756 6.370 1.00 0.00 H new ATOM 0 HB3 LYS B 62 -1.366 16.415 6.720 1.00 0.00 H new ATOM 0 HG2 LYS B 62 -1.942 16.139 9.072 1.00 0.00 H new ATOM 0 HG3 LYS B 62 -2.601 14.543 8.771 1.00 0.00 H new ATOM 0 HD2 LYS B 62 0.312 15.379 8.479 1.00 0.00 H new ATOM 0 HD3 LYS B 62 -0.357 14.360 9.739 1.00 0.00 H new ATOM 0 HE2 LYS B 62 -1.191 13.046 7.450 1.00 0.00 H new ATOM 0 HE3 LYS B 62 0.359 13.692 6.946 1.00 0.00 H new ATOM 0 HZ1 LYS B 62 1.326 12.047 8.033 1.00 0.00 H new ATOM 0 HZ2 LYS B 62 0.716 12.640 9.503 1.00 0.00 H new ATOM 0 HZ3 LYS B 62 -0.167 11.491 8.619 1.00 0.00 H new ATOM 1275 N ILE B 63 -4.783 14.601 5.234 1.00 0.00 N ATOM 1276 CA ILE B 63 -5.592 13.433 4.909 1.00 0.00 C ATOM 1277 C ILE B 63 -4.629 12.269 4.738 1.00 0.00 C ATOM 1278 O ILE B 63 -3.628 12.411 4.039 1.00 0.00 O ATOM 1279 CB ILE B 63 -6.421 13.663 3.625 1.00 0.00 C ATOM 1280 CG1 ILE B 63 -7.555 14.651 3.904 1.00 0.00 C ATOM 1281 CG2 ILE B 63 -6.980 12.355 3.092 1.00 0.00 C ATOM 1282 CD1 ILE B 63 -7.347 16.015 3.280 1.00 0.00 C ATOM 0 H ILE B 63 -4.557 15.194 4.436 1.00 0.00 H new ATOM 0 HA ILE B 63 -6.311 13.230 5.703 1.00 0.00 H new ATOM 0 HB ILE B 63 -5.762 14.081 2.864 1.00 0.00 H new ATOM 0 HG12 ILE B 63 -8.490 14.231 3.532 1.00 0.00 H new ATOM 0 HG13 ILE B 63 -7.665 14.768 4.982 1.00 0.00 H new ATOM 0 HG21 ILE B 63 -7.559 12.548 2.189 1.00 0.00 H new ATOM 0 HG22 ILE B 63 -6.159 11.676 2.859 1.00 0.00 H new ATOM 0 HG23 ILE B 63 -7.624 11.901 3.845 1.00 0.00 H new ATOM 0 HD11 ILE B 63 -8.193 16.659 3.522 1.00 0.00 H new ATOM 0 HD12 ILE B 63 -6.430 16.458 3.670 1.00 0.00 H new ATOM 0 HD13 ILE B 63 -7.268 15.912 2.198 1.00 0.00 H new ATOM 1294 N GLN B 64 -4.885 11.123 5.358 1.00 0.00 N ATOM 1295 CA GLN B 64 -3.900 10.041 5.271 1.00 0.00 C ATOM 1296 C GLN B 64 -4.477 8.668 5.053 1.00 0.00 C ATOM 1297 O GLN B 64 -5.669 8.424 5.196 1.00 0.00 O ATOM 1298 CB GLN B 64 -3.050 9.965 6.532 1.00 0.00 C ATOM 1299 CG GLN B 64 -2.588 11.295 7.066 1.00 0.00 C ATOM 1300 CD GLN B 64 -2.870 11.430 8.542 1.00 0.00 C ATOM 1301 OE1 GLN B 64 -3.123 12.519 9.034 1.00 0.00 O ATOM 1302 NE2 GLN B 64 -2.819 10.320 9.265 1.00 0.00 N ATOM 0 H GLN B 64 -5.723 10.919 5.903 1.00 0.00 H new ATOM 0 HA GLN B 64 -3.312 10.306 4.392 1.00 0.00 H new ATOM 0 HB2 GLN B 64 -3.622 9.457 7.308 1.00 0.00 H new ATOM 0 HB3 GLN B 64 -2.175 9.349 6.326 1.00 0.00 H new ATOM 0 HG2 GLN B 64 -1.519 11.408 6.888 1.00 0.00 H new ATOM 0 HG3 GLN B 64 -3.088 12.098 6.525 1.00 0.00 H new ATOM 0 HE21 GLN B 64 -2.604 9.429 8.817 1.00 0.00 H new ATOM 0 HE22 GLN B 64 -2.994 10.357 10.269 1.00 0.00 H new ATOM 1311 N LEU B 65 -3.584 7.793 4.649 1.00 0.00 N ATOM 1312 CA LEU B 65 -3.869 6.398 4.446 1.00 0.00 C ATOM 1313 C LEU B 65 -2.672 5.622 4.975 1.00 0.00 C ATOM 1314 O LEU B 65 -1.583 6.174 5.029 1.00 0.00 O ATOM 1315 CB LEU B 65 -4.035 6.088 2.970 1.00 0.00 C ATOM 1316 CG LEU B 65 -4.930 4.903 2.663 1.00 0.00 C ATOM 1317 CD1 LEU B 65 -6.360 5.364 2.465 1.00 0.00 C ATOM 1318 CD2 LEU B 65 -4.412 4.153 1.459 1.00 0.00 C ATOM 0 H LEU B 65 -2.616 8.042 4.448 1.00 0.00 H new ATOM 0 HA LEU B 65 -4.793 6.128 4.957 1.00 0.00 H new ATOM 0 HB2 LEU B 65 -4.440 6.969 2.472 1.00 0.00 H new ATOM 0 HB3 LEU B 65 -3.051 5.903 2.540 1.00 0.00 H new ATOM 0 HG LEU B 65 -4.918 4.216 3.509 1.00 0.00 H new ATOM 0 HD11 LEU B 65 -6.992 4.504 2.245 1.00 0.00 H new ATOM 0 HD12 LEU B 65 -6.714 5.852 3.373 1.00 0.00 H new ATOM 0 HD13 LEU B 65 -6.404 6.068 1.634 1.00 0.00 H new ATOM 0 HD21 LEU B 65 -5.064 3.305 1.250 1.00 0.00 H new ATOM 0 HD22 LEU B 65 -4.394 4.818 0.596 1.00 0.00 H new ATOM 0 HD23 LEU B 65 -3.403 3.794 1.661 1.00 0.00 H new ATOM 1330 N GLN B 66 -2.843 4.387 5.403 1.00 0.00 N ATOM 1331 CA GLN B 66 -1.699 3.631 5.892 1.00 0.00 C ATOM 1332 C GLN B 66 -1.831 2.150 5.568 1.00 0.00 C ATOM 1333 O GLN B 66 -2.904 1.565 5.686 1.00 0.00 O ATOM 1334 CB GLN B 66 -1.488 3.842 7.399 1.00 0.00 C ATOM 1335 CG GLN B 66 -2.215 2.848 8.287 1.00 0.00 C ATOM 1336 CD GLN B 66 -1.809 2.948 9.746 1.00 0.00 C ATOM 1337 OE1 GLN B 66 -1.851 1.962 10.483 1.00 0.00 O ATOM 1338 NE2 GLN B 66 -1.431 4.136 10.182 1.00 0.00 N ATOM 0 H GLN B 66 -3.735 3.893 5.424 1.00 0.00 H new ATOM 0 HA GLN B 66 -0.818 4.010 5.374 1.00 0.00 H new ATOM 0 HB2 GLN B 66 -0.421 3.787 7.614 1.00 0.00 H new ATOM 0 HB3 GLN B 66 -1.815 4.849 7.660 1.00 0.00 H new ATOM 0 HG2 GLN B 66 -3.289 3.012 8.203 1.00 0.00 H new ATOM 0 HG3 GLN B 66 -2.018 1.838 7.929 1.00 0.00 H new ATOM 0 HE21 GLN B 66 -1.408 4.930 9.543 1.00 0.00 H new ATOM 0 HE22 GLN B 66 -1.162 4.259 11.158 1.00 0.00 H new ATOM 1347 N LEU B 67 -0.726 1.564 5.148 1.00 0.00 N ATOM 1348 CA LEU B 67 -0.675 0.155 4.815 1.00 0.00 C ATOM 1349 C LEU B 67 -0.212 -0.642 6.015 1.00 0.00 C ATOM 1350 O LEU B 67 0.976 -0.692 6.309 1.00 0.00 O ATOM 1351 CB LEU B 67 0.301 -0.095 3.672 1.00 0.00 C ATOM 1352 CG LEU B 67 -0.050 0.544 2.336 1.00 0.00 C ATOM 1353 CD1 LEU B 67 1.085 0.321 1.354 1.00 0.00 C ATOM 1354 CD2 LEU B 67 -1.350 -0.029 1.796 1.00 0.00 C ATOM 0 H LEU B 67 0.161 2.052 5.028 1.00 0.00 H new ATOM 0 HA LEU B 67 -1.676 -0.155 4.515 1.00 0.00 H new ATOM 0 HB2 LEU B 67 1.284 0.265 3.976 1.00 0.00 H new ATOM 0 HB3 LEU B 67 0.387 -1.172 3.525 1.00 0.00 H new ATOM 0 HG LEU B 67 -0.190 1.616 2.478 1.00 0.00 H new ATOM 0 HD11 LEU B 67 0.834 0.779 0.397 1.00 0.00 H new ATOM 0 HD12 LEU B 67 1.997 0.773 1.744 1.00 0.00 H new ATOM 0 HD13 LEU B 67 1.241 -0.749 1.215 1.00 0.00 H new ATOM 0 HD21 LEU B 67 -1.585 0.440 0.840 1.00 0.00 H new ATOM 0 HD22 LEU B 67 -1.243 -1.105 1.656 1.00 0.00 H new ATOM 0 HD23 LEU B 67 -2.156 0.167 2.504 1.00 0.00 H new ATOM 1366 N VAL B 68 -1.141 -1.252 6.708 1.00 0.00 N ATOM 1367 CA VAL B 68 -0.803 -2.049 7.867 1.00 0.00 C ATOM 1368 C VAL B 68 -0.410 -3.441 7.413 1.00 0.00 C ATOM 1369 O VAL B 68 -1.256 -4.241 7.034 1.00 0.00 O ATOM 1370 CB VAL B 68 -1.980 -2.125 8.849 1.00 0.00 C ATOM 1371 CG1 VAL B 68 -1.520 -2.645 10.197 1.00 0.00 C ATOM 1372 CG2 VAL B 68 -2.625 -0.759 8.990 1.00 0.00 C ATOM 0 H VAL B 68 -2.137 -1.214 6.492 1.00 0.00 H new ATOM 0 HA VAL B 68 0.032 -1.579 8.386 1.00 0.00 H new ATOM 0 HB VAL B 68 -2.721 -2.822 8.456 1.00 0.00 H new ATOM 0 HG11 VAL B 68 -2.370 -2.691 10.878 1.00 0.00 H new ATOM 0 HG12 VAL B 68 -1.096 -3.642 10.077 1.00 0.00 H new ATOM 0 HG13 VAL B 68 -0.763 -1.976 10.606 1.00 0.00 H new ATOM 0 HG21 VAL B 68 -3.459 -0.821 9.688 1.00 0.00 H new ATOM 0 HG22 VAL B 68 -1.890 -0.047 9.365 1.00 0.00 H new ATOM 0 HG23 VAL B 68 -2.989 -0.427 8.018 1.00 0.00 H new ATOM 1382 N LEU B 69 0.878 -3.720 7.429 1.00 0.00 N ATOM 1383 CA LEU B 69 1.381 -5.005 6.978 1.00 0.00 C ATOM 1384 C LEU B 69 1.477 -5.991 8.119 1.00 0.00 C ATOM 1385 O LEU B 69 1.549 -5.604 9.284 1.00 0.00 O ATOM 1386 CB LEU B 69 2.758 -4.835 6.348 1.00 0.00 C ATOM 1387 CG LEU B 69 2.980 -3.493 5.670 1.00 0.00 C ATOM 1388 CD1 LEU B 69 4.412 -3.360 5.218 1.00 0.00 C ATOM 1389 CD2 LEU B 69 2.049 -3.332 4.490 1.00 0.00 C ATOM 0 H LEU B 69 1.598 -3.073 7.750 1.00 0.00 H new ATOM 0 HA LEU B 69 0.679 -5.394 6.240 1.00 0.00 H new ATOM 0 HB2 LEU B 69 3.516 -4.967 7.120 1.00 0.00 H new ATOM 0 HB3 LEU B 69 2.908 -5.627 5.615 1.00 0.00 H new ATOM 0 HG LEU B 69 2.765 -2.707 6.394 1.00 0.00 H new ATOM 0 HD11 LEU B 69 4.553 -2.393 4.735 1.00 0.00 H new ATOM 0 HD12 LEU B 69 5.074 -3.434 6.081 1.00 0.00 H new ATOM 0 HD13 LEU B 69 4.646 -4.156 4.511 1.00 0.00 H new ATOM 0 HD21 LEU B 69 2.223 -2.365 4.018 1.00 0.00 H new ATOM 0 HD22 LEU B 69 2.236 -4.127 3.768 1.00 0.00 H new ATOM 0 HD23 LEU B 69 1.015 -3.388 4.832 1.00 0.00 H new ATOM 1401 N HIS B 70 1.494 -7.273 7.783 1.00 0.00 N ATOM 1402 CA HIS B 70 1.624 -8.305 8.798 1.00 0.00 C ATOM 1403 C HIS B 70 3.093 -8.450 9.171 1.00 0.00 C ATOM 1404 O HIS B 70 3.464 -9.255 10.020 1.00 0.00 O ATOM 1405 CB HIS B 70 1.053 -9.656 8.344 1.00 0.00 C ATOM 1406 CG HIS B 70 0.959 -9.830 6.860 1.00 0.00 C ATOM 1407 ND1 HIS B 70 -0.183 -9.580 6.139 1.00 0.00 N ATOM 1408 CD2 HIS B 70 1.887 -10.239 5.954 1.00 0.00 C ATOM 1409 CE1 HIS B 70 0.083 -9.838 4.859 1.00 0.00 C ATOM 1410 NE2 HIS B 70 1.318 -10.248 4.703 1.00 0.00 N ATOM 0 H HIS B 70 1.420 -7.619 6.826 1.00 0.00 H new ATOM 0 HA HIS B 70 1.041 -7.998 9.666 1.00 0.00 H new ATOM 0 HB2 HIS B 70 1.676 -10.453 8.751 1.00 0.00 H new ATOM 0 HB3 HIS B 70 0.059 -9.777 8.774 1.00 0.00 H new ATOM 0 HD1 HIS B 70 -1.074 -9.255 6.515 1.00 0.00 H new ATOM 0 HD2 HIS B 70 2.907 -10.513 6.181 1.00 0.00 H new ATOM 0 HE1 HIS B 70 -0.628 -9.724 4.054 1.00 0.00 H new ATOM 1418 N ALA B 71 3.914 -7.645 8.508 1.00 0.00 N ATOM 1419 CA ALA B 71 5.349 -7.627 8.732 1.00 0.00 C ATOM 1420 C ALA B 71 5.683 -6.859 10.006 1.00 0.00 C ATOM 1421 O ALA B 71 6.822 -6.866 10.468 1.00 0.00 O ATOM 1422 CB ALA B 71 6.042 -6.992 7.533 1.00 0.00 C ATOM 0 H ALA B 71 3.599 -6.985 7.797 1.00 0.00 H new ATOM 0 HA ALA B 71 5.703 -8.651 8.851 1.00 0.00 H new ATOM 0 HB1 ALA B 71 7.119 -6.978 7.700 1.00 0.00 H new ATOM 0 HB2 ALA B 71 5.822 -7.571 6.636 1.00 0.00 H new ATOM 0 HB3 ALA B 71 5.682 -5.971 7.403 1.00 0.00 H new ATOM 1428 N GLY B 72 4.676 -6.195 10.566 1.00 0.00 N ATOM 1429 CA GLY B 72 4.875 -5.425 11.777 1.00 0.00 C ATOM 1430 C GLY B 72 5.124 -3.963 11.484 1.00 0.00 C ATOM 1431 O GLY B 72 5.481 -3.194 12.375 1.00 0.00 O ATOM 0 H GLY B 72 3.724 -6.178 10.200 1.00 0.00 H new ATOM 0 HA2 GLY B 72 3.998 -5.522 12.417 1.00 0.00 H new ATOM 0 HA3 GLY B 72 5.720 -5.833 12.331 1.00 0.00 H new ATOM 1435 N ASP B 73 4.927 -3.578 10.231 1.00 0.00 N ATOM 1436 CA ASP B 73 5.137 -2.192 9.814 1.00 0.00 C ATOM 1437 C ASP B 73 3.906 -1.645 9.119 1.00 0.00 C ATOM 1438 O ASP B 73 3.120 -2.396 8.539 1.00 0.00 O ATOM 1439 CB ASP B 73 6.359 -2.071 8.884 1.00 0.00 C ATOM 1440 CG ASP B 73 6.439 -0.718 8.176 1.00 0.00 C ATOM 1441 OD1 ASP B 73 6.241 -0.677 6.945 1.00 0.00 O ATOM 1442 OD2 ASP B 73 6.686 0.307 8.854 1.00 0.00 O ATOM 0 H ASP B 73 4.623 -4.202 9.484 1.00 0.00 H new ATOM 0 HA ASP B 73 5.325 -1.604 10.713 1.00 0.00 H new ATOM 0 HB2 ASP B 73 7.268 -2.225 9.466 1.00 0.00 H new ATOM 0 HB3 ASP B 73 6.320 -2.864 8.137 1.00 0.00 H new ATOM 1447 N THR B 74 3.724 -0.343 9.217 1.00 0.00 N ATOM 1448 CA THR B 74 2.619 0.320 8.573 1.00 0.00 C ATOM 1449 C THR B 74 3.169 1.376 7.623 1.00 0.00 C ATOM 1450 O THR B 74 4.014 2.186 8.007 1.00 0.00 O ATOM 1451 CB THR B 74 1.693 0.993 9.606 1.00 0.00 C ATOM 1452 OG1 THR B 74 2.465 1.775 10.526 1.00 0.00 O ATOM 1453 CG2 THR B 74 0.894 -0.044 10.377 1.00 0.00 C ATOM 0 H THR B 74 4.338 0.278 9.744 1.00 0.00 H new ATOM 0 HA THR B 74 2.035 -0.421 8.027 1.00 0.00 H new ATOM 0 HB THR B 74 1.002 1.639 9.065 1.00 0.00 H new ATOM 0 HG1 THR B 74 3.216 2.190 10.052 1.00 0.00 H new ATOM 0 HG21 THR B 74 0.249 0.457 11.099 1.00 0.00 H new ATOM 0 HG22 THR B 74 0.283 -0.622 9.684 1.00 0.00 H new ATOM 0 HG23 THR B 74 1.576 -0.712 10.902 1.00 0.00 H new ATOM 1461 N THR B 75 2.698 1.376 6.394 1.00 0.00 N ATOM 1462 CA THR B 75 3.154 2.344 5.418 1.00 0.00 C ATOM 1463 C THR B 75 2.149 3.482 5.312 1.00 0.00 C ATOM 1464 O THR B 75 1.133 3.363 4.632 1.00 0.00 O ATOM 1465 CB THR B 75 3.342 1.680 4.043 1.00 0.00 C ATOM 1466 OG1 THR B 75 3.898 0.367 4.214 1.00 0.00 O ATOM 1467 CG2 THR B 75 4.255 2.516 3.160 1.00 0.00 C ATOM 0 H THR B 75 2.000 0.718 6.047 1.00 0.00 H new ATOM 0 HA THR B 75 4.115 2.741 5.744 1.00 0.00 H new ATOM 0 HB THR B 75 2.369 1.605 3.557 1.00 0.00 H new ATOM 0 HG1 THR B 75 4.465 0.149 3.445 1.00 0.00 H new ATOM 0 HG21 THR B 75 4.373 2.027 2.193 1.00 0.00 H new ATOM 0 HG22 THR B 75 3.817 3.504 3.016 1.00 0.00 H new ATOM 0 HG23 THR B 75 5.230 2.617 3.637 1.00 0.00 H new ATOM 1475 N ASN B 76 2.432 4.581 5.990 1.00 0.00 N ATOM 1476 CA ASN B 76 1.531 5.724 5.984 1.00 0.00 C ATOM 1477 C ASN B 76 1.764 6.603 4.768 1.00 0.00 C ATOM 1478 O ASN B 76 2.895 6.766 4.308 1.00 0.00 O ATOM 1479 CB ASN B 76 1.676 6.552 7.264 1.00 0.00 C ATOM 1480 CG ASN B 76 1.205 5.817 8.508 1.00 0.00 C ATOM 1481 OD1 ASN B 76 1.388 4.608 8.643 1.00 0.00 O ATOM 1482 ND2 ASN B 76 0.578 6.543 9.420 1.00 0.00 N ATOM 0 H ASN B 76 3.275 4.707 6.550 1.00 0.00 H new ATOM 0 HA ASN B 76 0.515 5.332 5.938 1.00 0.00 H new ATOM 0 HB2 ASN B 76 2.721 6.834 7.390 1.00 0.00 H new ATOM 0 HB3 ASN B 76 1.107 7.476 7.158 1.00 0.00 H new ATOM 0 HD21 ASN B 76 0.228 6.102 10.270 1.00 0.00 H new ATOM 0 HD22 ASN B 76 0.445 7.544 9.272 1.00 0.00 H new ATOM 1489 N PHE B 77 0.677 7.139 4.249 1.00 0.00 N ATOM 1490 CA PHE B 77 0.706 8.007 3.093 1.00 0.00 C ATOM 1491 C PHE B 77 -0.057 9.291 3.383 1.00 0.00 C ATOM 1492 O PHE B 77 -1.278 9.277 3.563 1.00 0.00 O ATOM 1493 CB PHE B 77 0.108 7.298 1.878 1.00 0.00 C ATOM 1494 CG PHE B 77 0.972 6.190 1.355 1.00 0.00 C ATOM 1495 CD1 PHE B 77 2.171 6.473 0.724 1.00 0.00 C ATOM 1496 CD2 PHE B 77 0.589 4.867 1.498 1.00 0.00 C ATOM 1497 CE1 PHE B 77 2.974 5.458 0.244 1.00 0.00 C ATOM 1498 CE2 PHE B 77 1.388 3.848 1.019 1.00 0.00 C ATOM 1499 CZ PHE B 77 2.582 4.144 0.391 1.00 0.00 C ATOM 0 H PHE B 77 -0.259 6.982 4.623 1.00 0.00 H new ATOM 0 HA PHE B 77 1.743 8.257 2.871 1.00 0.00 H new ATOM 0 HB2 PHE B 77 -0.868 6.893 2.146 1.00 0.00 H new ATOM 0 HB3 PHE B 77 -0.056 8.027 1.085 1.00 0.00 H new ATOM 0 HD1 PHE B 77 2.482 7.500 0.606 1.00 0.00 H new ATOM 0 HD2 PHE B 77 -0.343 4.630 1.989 1.00 0.00 H new ATOM 0 HE1 PHE B 77 3.908 5.692 -0.246 1.00 0.00 H new ATOM 0 HE2 PHE B 77 1.079 2.820 1.135 1.00 0.00 H new ATOM 0 HZ PHE B 77 3.208 3.348 0.016 1.00 0.00 H new ATOM 1509 N HIS B 78 0.675 10.387 3.438 1.00 0.00 N ATOM 1510 CA HIS B 78 0.105 11.695 3.699 1.00 0.00 C ATOM 1511 C HIS B 78 -0.365 12.319 2.391 1.00 0.00 C ATOM 1512 O HIS B 78 0.439 12.775 1.578 1.00 0.00 O ATOM 1513 CB HIS B 78 1.163 12.579 4.393 1.00 0.00 C ATOM 1514 CG HIS B 78 0.814 14.038 4.557 1.00 0.00 C ATOM 1515 ND1 HIS B 78 1.640 14.950 5.183 1.00 0.00 N ATOM 1516 CD2 HIS B 78 -0.272 14.747 4.151 1.00 0.00 C ATOM 1517 CE1 HIS B 78 1.046 16.147 5.137 1.00 0.00 C ATOM 1518 NE2 HIS B 78 -0.116 16.079 4.520 1.00 0.00 N ATOM 0 H HIS B 78 1.686 10.395 3.302 1.00 0.00 H new ATOM 0 HA HIS B 78 -0.758 11.605 4.359 1.00 0.00 H new ATOM 0 HB2 HIS B 78 1.362 12.162 5.380 1.00 0.00 H new ATOM 0 HB3 HIS B 78 2.091 12.511 3.825 1.00 0.00 H new ATOM 0 HD2 HIS B 78 -1.123 14.340 3.624 1.00 0.00 H new ATOM 0 HE1 HIS B 78 1.464 17.052 5.552 1.00 0.00 H new ATOM 0 HE2 HIS B 78 -0.767 16.845 4.348 1.00 0.00 H new ATOM 1526 N PHE B 79 -1.669 12.319 2.194 1.00 0.00 N ATOM 1527 CA PHE B 79 -2.270 12.896 1.006 1.00 0.00 C ATOM 1528 C PHE B 79 -2.268 14.417 1.135 1.00 0.00 C ATOM 1529 O PHE B 79 -3.172 14.998 1.737 1.00 0.00 O ATOM 1530 CB PHE B 79 -3.702 12.385 0.839 1.00 0.00 C ATOM 1531 CG PHE B 79 -3.797 10.989 0.295 1.00 0.00 C ATOM 1532 CD1 PHE B 79 -3.656 9.886 1.125 1.00 0.00 C ATOM 1533 CD2 PHE B 79 -4.041 10.783 -1.047 1.00 0.00 C ATOM 1534 CE1 PHE B 79 -3.758 8.603 0.616 1.00 0.00 C ATOM 1535 CE2 PHE B 79 -4.142 9.506 -1.558 1.00 0.00 C ATOM 1536 CZ PHE B 79 -4.002 8.416 -0.732 1.00 0.00 C ATOM 0 H PHE B 79 -2.340 11.921 2.850 1.00 0.00 H new ATOM 0 HA PHE B 79 -1.694 12.603 0.128 1.00 0.00 H new ATOM 0 HB2 PHE B 79 -4.204 12.421 1.806 1.00 0.00 H new ATOM 0 HB3 PHE B 79 -4.242 13.060 0.174 1.00 0.00 H new ATOM 0 HD1 PHE B 79 -3.465 10.030 2.178 1.00 0.00 H new ATOM 0 HD2 PHE B 79 -4.154 11.632 -1.705 1.00 0.00 H new ATOM 0 HE1 PHE B 79 -3.647 7.751 1.270 1.00 0.00 H new ATOM 0 HE2 PHE B 79 -4.332 9.362 -2.611 1.00 0.00 H new ATOM 0 HZ PHE B 79 -4.082 7.417 -1.135 1.00 0.00 H new ATOM 1546 N SER B 80 -1.245 15.059 0.589 1.00 0.00 N ATOM 1547 CA SER B 80 -1.124 16.508 0.678 1.00 0.00 C ATOM 1548 C SER B 80 -1.600 17.205 -0.595 1.00 0.00 C ATOM 1549 O SER B 80 -1.342 18.390 -0.792 1.00 0.00 O ATOM 1550 CB SER B 80 0.326 16.898 0.985 1.00 0.00 C ATOM 1551 OG SER B 80 1.241 16.149 0.202 1.00 0.00 O ATOM 0 H SER B 80 -0.488 14.601 0.081 1.00 0.00 H new ATOM 0 HA SER B 80 -1.770 16.840 1.491 1.00 0.00 H new ATOM 0 HB2 SER B 80 0.467 17.962 0.793 1.00 0.00 H new ATOM 0 HB3 SER B 80 0.532 16.735 2.043 1.00 0.00 H new ATOM 0 HG SER B 80 0.789 15.818 -0.602 1.00 0.00 H new ATOM 1557 N ASN B 81 -2.280 16.471 -1.466 1.00 0.00 N ATOM 1558 CA ASN B 81 -2.794 17.056 -2.700 1.00 0.00 C ATOM 1559 C ASN B 81 -4.146 17.707 -2.433 1.00 0.00 C ATOM 1560 O ASN B 81 -5.187 17.064 -2.528 1.00 0.00 O ATOM 1561 CB ASN B 81 -2.911 16.003 -3.804 1.00 0.00 C ATOM 1562 CG ASN B 81 -3.465 16.575 -5.099 1.00 0.00 C ATOM 1563 OD1 ASN B 81 -3.232 17.736 -5.435 1.00 0.00 O ATOM 1564 ND2 ASN B 81 -4.212 15.767 -5.827 1.00 0.00 N ATOM 0 H ASN B 81 -2.488 15.480 -1.344 1.00 0.00 H new ATOM 0 HA ASN B 81 -2.092 17.816 -3.044 1.00 0.00 H new ATOM 0 HB2 ASN B 81 -1.929 15.569 -3.993 1.00 0.00 H new ATOM 0 HB3 ASN B 81 -3.557 15.194 -3.463 1.00 0.00 H new ATOM 0 HD21 ASN B 81 -4.619 16.098 -6.702 1.00 0.00 H new ATOM 0 HD22 ASN B 81 -4.383 14.811 -5.515 1.00 0.00 H new ATOM 1571 N GLU B 82 -4.106 18.991 -2.112 1.00 0.00 N ATOM 1572 CA GLU B 82 -5.289 19.785 -1.781 1.00 0.00 C ATOM 1573 C GLU B 82 -6.447 19.568 -2.761 1.00 0.00 C ATOM 1574 O GLU B 82 -7.617 19.621 -2.377 1.00 0.00 O ATOM 1575 CB GLU B 82 -4.909 21.271 -1.752 1.00 0.00 C ATOM 1576 CG GLU B 82 -3.774 21.605 -0.786 1.00 0.00 C ATOM 1577 CD GLU B 82 -2.388 21.490 -1.409 1.00 0.00 C ATOM 1578 OE1 GLU B 82 -2.233 20.773 -2.424 1.00 0.00 O ATOM 1579 OE2 GLU B 82 -1.438 22.098 -0.879 1.00 0.00 O ATOM 0 H GLU B 82 -3.237 19.524 -2.072 1.00 0.00 H new ATOM 0 HA GLU B 82 -5.637 19.456 -0.802 1.00 0.00 H new ATOM 0 HB2 GLU B 82 -4.620 21.581 -2.756 1.00 0.00 H new ATOM 0 HB3 GLU B 82 -5.788 21.855 -1.479 1.00 0.00 H new ATOM 0 HG2 GLU B 82 -3.912 22.620 -0.413 1.00 0.00 H new ATOM 0 HG3 GLU B 82 -3.833 20.939 0.075 1.00 0.00 H new ATOM 1586 N SER B 83 -6.117 19.309 -4.016 1.00 0.00 N ATOM 1587 CA SER B 83 -7.117 19.107 -5.050 1.00 0.00 C ATOM 1588 C SER B 83 -7.991 17.872 -4.823 1.00 0.00 C ATOM 1589 O SER B 83 -9.217 17.985 -4.688 1.00 0.00 O ATOM 1590 CB SER B 83 -6.411 18.996 -6.402 1.00 0.00 C ATOM 1591 OG SER B 83 -5.149 19.645 -6.367 1.00 0.00 O ATOM 0 H SER B 83 -5.154 19.233 -4.345 1.00 0.00 H new ATOM 0 HA SER B 83 -7.788 19.966 -5.022 1.00 0.00 H new ATOM 0 HB2 SER B 83 -6.278 17.946 -6.663 1.00 0.00 H new ATOM 0 HB3 SER B 83 -7.032 19.441 -7.179 1.00 0.00 H new ATOM 0 HG SER B 83 -4.457 19.000 -6.111 1.00 0.00 H new ATOM 1597 N THR B 84 -7.392 16.694 -4.779 1.00 0.00 N ATOM 1598 CA THR B 84 -8.181 15.483 -4.639 1.00 0.00 C ATOM 1599 C THR B 84 -7.739 14.543 -3.514 1.00 0.00 C ATOM 1600 O THR B 84 -8.241 13.435 -3.445 1.00 0.00 O ATOM 1601 CB THR B 84 -8.194 14.742 -5.985 1.00 0.00 C ATOM 1602 OG1 THR B 84 -6.861 14.638 -6.500 1.00 0.00 O ATOM 1603 CG2 THR B 84 -9.054 15.507 -6.980 1.00 0.00 C ATOM 0 H THR B 84 -6.384 16.551 -4.837 1.00 0.00 H new ATOM 0 HA THR B 84 -9.182 15.802 -4.350 1.00 0.00 H new ATOM 0 HB THR B 84 -8.603 13.743 -5.835 1.00 0.00 H new ATOM 0 HG1 THR B 84 -6.247 14.403 -5.773 1.00 0.00 H new ATOM 0 HG21 THR B 84 -9.062 14.980 -7.934 1.00 0.00 H new ATOM 0 HG22 THR B 84 -10.072 15.582 -6.598 1.00 0.00 H new ATOM 0 HG23 THR B 84 -8.644 16.507 -7.121 1.00 0.00 H new ATOM 1611 N ALA B 85 -6.859 14.996 -2.622 1.00 0.00 N ATOM 1612 CA ALA B 85 -6.333 14.158 -1.525 1.00 0.00 C ATOM 1613 C ALA B 85 -7.394 13.307 -0.831 1.00 0.00 C ATOM 1614 O ALA B 85 -7.204 12.111 -0.652 1.00 0.00 O ATOM 1615 CB ALA B 85 -5.629 15.021 -0.491 1.00 0.00 C ATOM 0 H ALA B 85 -6.488 15.946 -2.631 1.00 0.00 H new ATOM 0 HA ALA B 85 -5.631 13.468 -1.993 1.00 0.00 H new ATOM 0 HB1 ALA B 85 -5.247 14.389 0.311 1.00 0.00 H new ATOM 0 HB2 ALA B 85 -4.801 15.550 -0.962 1.00 0.00 H new ATOM 0 HB3 ALA B 85 -6.334 15.743 -0.079 1.00 0.00 H new ATOM 1621 N VAL B 86 -8.496 13.923 -0.427 1.00 0.00 N ATOM 1622 CA VAL B 86 -9.574 13.199 0.247 1.00 0.00 C ATOM 1623 C VAL B 86 -10.108 12.062 -0.638 1.00 0.00 C ATOM 1624 O VAL B 86 -10.151 10.906 -0.222 1.00 0.00 O ATOM 1625 CB VAL B 86 -10.718 14.170 0.640 1.00 0.00 C ATOM 1626 CG1 VAL B 86 -12.073 13.473 0.680 1.00 0.00 C ATOM 1627 CG2 VAL B 86 -10.426 14.818 1.981 1.00 0.00 C ATOM 0 H VAL B 86 -8.671 14.920 -0.552 1.00 0.00 H new ATOM 0 HA VAL B 86 -9.169 12.756 1.157 1.00 0.00 H new ATOM 0 HB VAL B 86 -10.766 14.940 -0.130 1.00 0.00 H new ATOM 0 HG11 VAL B 86 -12.844 14.191 0.960 1.00 0.00 H new ATOM 0 HG12 VAL B 86 -12.300 13.062 -0.304 1.00 0.00 H new ATOM 0 HG13 VAL B 86 -12.046 12.667 1.413 1.00 0.00 H new ATOM 0 HG21 VAL B 86 -11.238 15.496 2.242 1.00 0.00 H new ATOM 0 HG22 VAL B 86 -10.337 14.047 2.746 1.00 0.00 H new ATOM 0 HG23 VAL B 86 -9.492 15.377 1.919 1.00 0.00 H new ATOM 1637 N LYS B 87 -10.465 12.401 -1.871 1.00 0.00 N ATOM 1638 CA LYS B 87 -10.991 11.428 -2.831 1.00 0.00 C ATOM 1639 C LYS B 87 -9.905 10.424 -3.200 1.00 0.00 C ATOM 1640 O LYS B 87 -10.179 9.248 -3.422 1.00 0.00 O ATOM 1641 CB LYS B 87 -11.481 12.160 -4.087 1.00 0.00 C ATOM 1642 CG LYS B 87 -12.291 13.416 -3.791 1.00 0.00 C ATOM 1643 CD LYS B 87 -11.689 14.639 -4.475 1.00 0.00 C ATOM 1644 CE LYS B 87 -12.395 15.923 -4.061 1.00 0.00 C ATOM 1645 NZ LYS B 87 -11.816 17.124 -4.731 1.00 0.00 N ATOM 0 H LYS B 87 -10.400 13.351 -2.236 1.00 0.00 H new ATOM 0 HA LYS B 87 -11.826 10.892 -2.381 1.00 0.00 H new ATOM 0 HB2 LYS B 87 -10.620 12.430 -4.698 1.00 0.00 H new ATOM 0 HB3 LYS B 87 -12.090 11.477 -4.679 1.00 0.00 H new ATOM 0 HG2 LYS B 87 -13.318 13.277 -4.129 1.00 0.00 H new ATOM 0 HG3 LYS B 87 -12.329 13.581 -2.714 1.00 0.00 H new ATOM 0 HD2 LYS B 87 -10.630 14.710 -4.226 1.00 0.00 H new ATOM 0 HD3 LYS B 87 -11.755 14.520 -5.556 1.00 0.00 H new ATOM 0 HE2 LYS B 87 -13.455 15.848 -4.305 1.00 0.00 H new ATOM 0 HE3 LYS B 87 -12.324 16.042 -2.980 1.00 0.00 H new ATOM 0 HZ1 LYS B 87 -12.304 17.978 -4.394 1.00 0.00 H new ATOM 0 HZ2 LYS B 87 -10.803 17.193 -4.506 1.00 0.00 H new ATOM 0 HZ3 LYS B 87 -11.937 17.039 -5.760 1.00 0.00 H new ATOM 1659 N GLU B 88 -8.675 10.908 -3.274 1.00 0.00 N ATOM 1660 CA GLU B 88 -7.533 10.072 -3.581 1.00 0.00 C ATOM 1661 C GLU B 88 -7.341 9.061 -2.459 1.00 0.00 C ATOM 1662 O GLU B 88 -7.140 7.878 -2.715 1.00 0.00 O ATOM 1663 CB GLU B 88 -6.293 10.943 -3.811 1.00 0.00 C ATOM 1664 CG GLU B 88 -6.125 11.343 -5.272 1.00 0.00 C ATOM 1665 CD GLU B 88 -5.037 12.374 -5.498 1.00 0.00 C ATOM 1666 OE1 GLU B 88 -4.114 12.110 -6.302 1.00 0.00 O ATOM 1667 OE2 GLU B 88 -5.119 13.466 -4.906 1.00 0.00 O ATOM 0 H GLU B 88 -8.444 11.890 -3.123 1.00 0.00 H new ATOM 0 HA GLU B 88 -7.702 9.516 -4.503 1.00 0.00 H new ATOM 0 HB2 GLU B 88 -6.365 11.841 -3.197 1.00 0.00 H new ATOM 0 HB3 GLU B 88 -5.406 10.402 -3.481 1.00 0.00 H new ATOM 0 HG2 GLU B 88 -5.899 10.453 -5.860 1.00 0.00 H new ATOM 0 HG3 GLU B 88 -7.071 11.738 -5.643 1.00 0.00 H new ATOM 1674 N ARG B 89 -7.443 9.533 -1.213 1.00 0.00 N ATOM 1675 CA ARG B 89 -7.340 8.665 -0.043 1.00 0.00 C ATOM 1676 C ARG B 89 -8.376 7.575 -0.169 1.00 0.00 C ATOM 1677 O ARG B 89 -8.096 6.389 -0.020 1.00 0.00 O ATOM 1678 CB ARG B 89 -7.624 9.451 1.244 1.00 0.00 C ATOM 1679 CG ARG B 89 -7.565 8.618 2.509 1.00 0.00 C ATOM 1680 CD ARG B 89 -8.440 9.219 3.600 1.00 0.00 C ATOM 1681 NE ARG B 89 -9.761 9.606 3.094 1.00 0.00 N ATOM 1682 CZ ARG B 89 -10.487 10.616 3.580 1.00 0.00 C ATOM 1683 NH1 ARG B 89 -10.053 11.325 4.616 1.00 0.00 N ATOM 1684 NH2 ARG B 89 -11.662 10.910 3.045 1.00 0.00 N ATOM 0 H ARG B 89 -7.598 10.517 -0.991 1.00 0.00 H new ATOM 0 HA ARG B 89 -6.332 8.254 0.006 1.00 0.00 H new ATOM 0 HB2 ARG B 89 -6.904 10.265 1.325 1.00 0.00 H new ATOM 0 HB3 ARG B 89 -8.612 9.906 1.168 1.00 0.00 H new ATOM 0 HG2 ARG B 89 -7.893 7.601 2.294 1.00 0.00 H new ATOM 0 HG3 ARG B 89 -6.535 8.554 2.859 1.00 0.00 H new ATOM 0 HD2 ARG B 89 -8.559 8.497 4.408 1.00 0.00 H new ATOM 0 HD3 ARG B 89 -7.944 10.092 4.023 1.00 0.00 H new ATOM 0 HE ARG B 89 -10.151 9.068 2.320 1.00 0.00 H new ATOM 0 HH11 ARG B 89 -9.157 11.100 5.048 1.00 0.00 H new ATOM 0 HH12 ARG B 89 -10.616 12.094 4.979 1.00 0.00 H new ATOM 0 HH21 ARG B 89 -12.015 10.364 2.259 1.00 0.00 H new ATOM 0 HH22 ARG B 89 -12.214 11.682 3.419 1.00 0.00 H new ATOM 1698 N ASP B 90 -9.578 8.021 -0.470 1.00 0.00 N ATOM 1699 CA ASP B 90 -10.718 7.154 -0.639 1.00 0.00 C ATOM 1700 C ASP B 90 -10.525 6.147 -1.764 1.00 0.00 C ATOM 1701 O ASP B 90 -10.820 4.975 -1.581 1.00 0.00 O ATOM 1702 CB ASP B 90 -11.967 8.007 -0.838 1.00 0.00 C ATOM 1703 CG ASP B 90 -12.646 8.282 0.486 1.00 0.00 C ATOM 1704 OD1 ASP B 90 -12.526 9.413 1.001 1.00 0.00 O ATOM 1705 OD2 ASP B 90 -13.264 7.341 1.035 1.00 0.00 O ATOM 0 H ASP B 90 -9.790 9.010 -0.605 1.00 0.00 H new ATOM 0 HA ASP B 90 -10.836 6.555 0.264 1.00 0.00 H new ATOM 0 HB2 ASP B 90 -11.697 8.949 -1.316 1.00 0.00 H new ATOM 0 HB3 ASP B 90 -12.659 7.496 -1.508 1.00 0.00 H new ATOM 1710 N ALA B 91 -10.001 6.584 -2.898 1.00 0.00 N ATOM 1711 CA ALA B 91 -9.776 5.685 -4.030 1.00 0.00 C ATOM 1712 C ALA B 91 -8.689 4.660 -3.713 1.00 0.00 C ATOM 1713 O ALA B 91 -8.830 3.488 -4.051 1.00 0.00 O ATOM 1714 CB ALA B 91 -9.424 6.478 -5.278 1.00 0.00 C ATOM 0 H ALA B 91 -9.723 7.551 -3.064 1.00 0.00 H new ATOM 0 HA ALA B 91 -10.701 5.140 -4.218 1.00 0.00 H new ATOM 0 HB1 ALA B 91 -9.260 5.793 -6.110 1.00 0.00 H new ATOM 0 HB2 ALA B 91 -10.242 7.155 -5.522 1.00 0.00 H new ATOM 0 HB3 ALA B 91 -8.517 7.055 -5.099 1.00 0.00 H new ATOM 1720 N VAL B 92 -7.601 5.099 -3.071 1.00 0.00 N ATOM 1721 CA VAL B 92 -6.529 4.178 -2.685 1.00 0.00 C ATOM 1722 C VAL B 92 -7.122 3.170 -1.709 1.00 0.00 C ATOM 1723 O VAL B 92 -6.902 1.969 -1.819 1.00 0.00 O ATOM 1724 CB VAL B 92 -5.341 4.904 -2.016 1.00 0.00 C ATOM 1725 CG1 VAL B 92 -4.201 3.935 -1.756 1.00 0.00 C ATOM 1726 CG2 VAL B 92 -4.851 6.050 -2.876 1.00 0.00 C ATOM 0 H VAL B 92 -7.441 6.072 -2.811 1.00 0.00 H new ATOM 0 HA VAL B 92 -6.140 3.695 -3.581 1.00 0.00 H new ATOM 0 HB VAL B 92 -5.691 5.306 -1.065 1.00 0.00 H new ATOM 0 HG11 VAL B 92 -3.373 4.465 -1.284 1.00 0.00 H new ATOM 0 HG12 VAL B 92 -4.544 3.138 -1.097 1.00 0.00 H new ATOM 0 HG13 VAL B 92 -3.866 3.506 -2.700 1.00 0.00 H new ATOM 0 HG21 VAL B 92 -4.014 6.544 -2.382 1.00 0.00 H new ATOM 0 HG22 VAL B 92 -4.526 5.666 -3.843 1.00 0.00 H new ATOM 0 HG23 VAL B 92 -5.660 6.766 -3.023 1.00 0.00 H new ATOM 1736 N LYS B 93 -7.913 3.700 -0.779 1.00 0.00 N ATOM 1737 CA LYS B 93 -8.611 2.903 0.226 1.00 0.00 C ATOM 1738 C LYS B 93 -9.506 1.878 -0.453 1.00 0.00 C ATOM 1739 O LYS B 93 -9.424 0.683 -0.192 1.00 0.00 O ATOM 1740 CB LYS B 93 -9.475 3.831 1.091 1.00 0.00 C ATOM 1741 CG LYS B 93 -10.522 3.113 1.932 1.00 0.00 C ATOM 1742 CD LYS B 93 -11.724 4.008 2.221 1.00 0.00 C ATOM 1743 CE LYS B 93 -12.868 3.760 1.243 1.00 0.00 C ATOM 1744 NZ LYS B 93 -12.970 4.823 0.206 1.00 0.00 N ATOM 0 H LYS B 93 -8.089 4.702 -0.701 1.00 0.00 H new ATOM 0 HA LYS B 93 -7.879 2.385 0.846 1.00 0.00 H new ATOM 0 HB2 LYS B 93 -8.823 4.401 1.753 1.00 0.00 H new ATOM 0 HB3 LYS B 93 -9.977 4.549 0.442 1.00 0.00 H new ATOM 0 HG2 LYS B 93 -10.854 2.215 1.411 1.00 0.00 H new ATOM 0 HG3 LYS B 93 -10.075 2.790 2.872 1.00 0.00 H new ATOM 0 HD2 LYS B 93 -12.072 3.831 3.239 1.00 0.00 H new ATOM 0 HD3 LYS B 93 -11.420 5.053 2.166 1.00 0.00 H new ATOM 0 HE2 LYS B 93 -12.724 2.795 0.757 1.00 0.00 H new ATOM 0 HE3 LYS B 93 -13.807 3.702 1.794 1.00 0.00 H new ATOM 0 HZ1 LYS B 93 -13.682 4.551 -0.501 1.00 0.00 H new ATOM 0 HZ2 LYS B 93 -13.251 5.719 0.653 1.00 0.00 H new ATOM 0 HZ3 LYS B 93 -12.048 4.943 -0.260 1.00 0.00 H new ATOM 1758 N ASP B 94 -10.353 2.386 -1.332 1.00 0.00 N ATOM 1759 CA ASP B 94 -11.302 1.585 -2.088 1.00 0.00 C ATOM 1760 C ASP B 94 -10.612 0.493 -2.884 1.00 0.00 C ATOM 1761 O ASP B 94 -10.929 -0.681 -2.738 1.00 0.00 O ATOM 1762 CB ASP B 94 -12.098 2.507 -3.015 1.00 0.00 C ATOM 1763 CG ASP B 94 -13.369 3.012 -2.364 1.00 0.00 C ATOM 1764 OD1 ASP B 94 -13.549 4.243 -2.274 1.00 0.00 O ATOM 1765 OD2 ASP B 94 -14.173 2.179 -1.908 1.00 0.00 O ATOM 0 H ASP B 94 -10.402 3.383 -1.544 1.00 0.00 H new ATOM 0 HA ASP B 94 -11.975 1.088 -1.389 1.00 0.00 H new ATOM 0 HB2 ASP B 94 -11.477 3.355 -3.302 1.00 0.00 H new ATOM 0 HB3 ASP B 94 -12.349 1.971 -3.930 1.00 0.00 H new ATOM 1770 N LEU B 95 -9.650 0.884 -3.698 1.00 0.00 N ATOM 1771 CA LEU B 95 -8.916 -0.052 -4.533 1.00 0.00 C ATOM 1772 C LEU B 95 -8.157 -1.069 -3.691 1.00 0.00 C ATOM 1773 O LEU B 95 -8.069 -2.226 -4.064 1.00 0.00 O ATOM 1774 CB LEU B 95 -7.949 0.713 -5.441 1.00 0.00 C ATOM 1775 CG LEU B 95 -7.500 -0.030 -6.698 1.00 0.00 C ATOM 1776 CD1 LEU B 95 -8.683 -0.292 -7.617 1.00 0.00 C ATOM 1777 CD2 LEU B 95 -6.424 0.761 -7.424 1.00 0.00 C ATOM 0 H LEU B 95 -9.355 1.855 -3.800 1.00 0.00 H new ATOM 0 HA LEU B 95 -9.633 -0.598 -5.146 1.00 0.00 H new ATOM 0 HB2 LEU B 95 -8.423 1.647 -5.742 1.00 0.00 H new ATOM 0 HB3 LEU B 95 -7.065 0.977 -4.861 1.00 0.00 H new ATOM 0 HG LEU B 95 -7.081 -0.991 -6.400 1.00 0.00 H new ATOM 0 HD11 LEU B 95 -8.342 -0.822 -8.506 1.00 0.00 H new ATOM 0 HD12 LEU B 95 -9.423 -0.898 -7.094 1.00 0.00 H new ATOM 0 HD13 LEU B 95 -9.133 0.656 -7.910 1.00 0.00 H new ATOM 0 HD21 LEU B 95 -6.114 0.219 -8.317 1.00 0.00 H new ATOM 0 HD22 LEU B 95 -6.819 1.736 -7.710 1.00 0.00 H new ATOM 0 HD23 LEU B 95 -5.566 0.896 -6.766 1.00 0.00 H new ATOM 1789 N LEU B 96 -7.640 -0.649 -2.547 1.00 0.00 N ATOM 1790 CA LEU B 96 -6.890 -1.552 -1.673 1.00 0.00 C ATOM 1791 C LEU B 96 -7.837 -2.499 -0.959 1.00 0.00 C ATOM 1792 O LEU B 96 -7.611 -3.693 -0.936 1.00 0.00 O ATOM 1793 CB LEU B 96 -6.073 -0.772 -0.644 1.00 0.00 C ATOM 1794 CG LEU B 96 -4.755 -0.203 -1.158 1.00 0.00 C ATOM 1795 CD1 LEU B 96 -4.205 0.815 -0.174 1.00 0.00 C ATOM 1796 CD2 LEU B 96 -3.748 -1.314 -1.385 1.00 0.00 C ATOM 0 H LEU B 96 -7.723 0.306 -2.199 1.00 0.00 H new ATOM 0 HA LEU B 96 -6.204 -2.126 -2.296 1.00 0.00 H new ATOM 0 HB2 LEU B 96 -6.682 0.049 -0.267 1.00 0.00 H new ATOM 0 HB3 LEU B 96 -5.862 -1.427 0.201 1.00 0.00 H new ATOM 0 HG LEU B 96 -4.939 0.294 -2.111 1.00 0.00 H new ATOM 0 HD11 LEU B 96 -3.264 1.214 -0.552 1.00 0.00 H new ATOM 0 HD12 LEU B 96 -4.921 1.628 -0.053 1.00 0.00 H new ATOM 0 HD13 LEU B 96 -4.035 0.335 0.789 1.00 0.00 H new ATOM 0 HD21 LEU B 96 -2.814 -0.889 -1.752 1.00 0.00 H new ATOM 0 HD22 LEU B 96 -3.565 -1.837 -0.446 1.00 0.00 H new ATOM 0 HD23 LEU B 96 -4.141 -2.016 -2.121 1.00 0.00 H new ATOM 1808 N GLN B 97 -8.910 -1.966 -0.393 1.00 0.00 N ATOM 1809 CA GLN B 97 -9.903 -2.787 0.296 1.00 0.00 C ATOM 1810 C GLN B 97 -10.498 -3.793 -0.695 1.00 0.00 C ATOM 1811 O GLN B 97 -11.028 -4.840 -0.329 1.00 0.00 O ATOM 1812 CB GLN B 97 -10.984 -1.873 0.896 1.00 0.00 C ATOM 1813 CG GLN B 97 -12.341 -2.525 1.093 1.00 0.00 C ATOM 1814 CD GLN B 97 -12.722 -2.680 2.554 1.00 0.00 C ATOM 1815 OE1 GLN B 97 -11.742 -2.915 3.417 1.00 0.00 O flip ATOM 1816 NE2 GLN B 97 -13.896 -2.593 2.906 1.00 0.00 N flip ATOM 0 H GLN B 97 -9.118 -0.967 -0.396 1.00 0.00 H new ATOM 0 HA GLN B 97 -9.442 -3.346 1.110 1.00 0.00 H new ATOM 0 HB2 GLN B 97 -10.632 -1.504 1.859 1.00 0.00 H new ATOM 0 HB3 GLN B 97 -11.106 -1.006 0.247 1.00 0.00 H new ATOM 0 HG2 GLN B 97 -13.100 -1.929 0.587 1.00 0.00 H new ATOM 0 HG3 GLN B 97 -12.338 -3.506 0.619 1.00 0.00 H new ATOM 0 HE21 GLN B 97 -14.624 -2.411 2.215 1.00 0.00 H new ATOM 0 HE22 GLN B 97 -14.143 -2.702 3.890 1.00 0.00 H new ATOM 1825 N GLN B 98 -10.369 -3.445 -1.961 1.00 0.00 N ATOM 1826 CA GLN B 98 -10.836 -4.252 -3.072 1.00 0.00 C ATOM 1827 C GLN B 98 -9.784 -5.269 -3.505 1.00 0.00 C ATOM 1828 O GLN B 98 -10.069 -6.440 -3.763 1.00 0.00 O ATOM 1829 CB GLN B 98 -11.100 -3.316 -4.249 1.00 0.00 C ATOM 1830 CG GLN B 98 -12.510 -2.771 -4.312 1.00 0.00 C ATOM 1831 CD GLN B 98 -12.883 -2.305 -5.704 1.00 0.00 C ATOM 1832 OE1 GLN B 98 -12.444 -2.877 -6.701 1.00 0.00 O ATOM 1833 NE2 GLN B 98 -13.682 -1.253 -5.781 1.00 0.00 N ATOM 0 H GLN B 98 -9.926 -2.573 -2.252 1.00 0.00 H new ATOM 0 HA GLN B 98 -11.732 -4.790 -2.763 1.00 0.00 H new ATOM 0 HB2 GLN B 98 -10.403 -2.480 -4.196 1.00 0.00 H new ATOM 0 HB3 GLN B 98 -10.888 -3.849 -5.176 1.00 0.00 H new ATOM 0 HG2 GLN B 98 -13.210 -3.542 -3.989 1.00 0.00 H new ATOM 0 HG3 GLN B 98 -12.607 -1.939 -3.614 1.00 0.00 H new ATOM 0 HE21 GLN B 98 -14.024 -0.809 -4.929 1.00 0.00 H new ATOM 0 HE22 GLN B 98 -13.956 -0.887 -6.693 1.00 0.00 H new ATOM 1842 N LEU B 99 -8.571 -4.776 -3.609 1.00 0.00 N ATOM 1843 CA LEU B 99 -7.422 -5.536 -4.076 1.00 0.00 C ATOM 1844 C LEU B 99 -6.708 -6.363 -3.004 1.00 0.00 C ATOM 1845 O LEU B 99 -6.368 -7.518 -3.249 1.00 0.00 O ATOM 1846 CB LEU B 99 -6.453 -4.536 -4.695 1.00 0.00 C ATOM 1847 CG LEU B 99 -6.668 -4.282 -6.188 1.00 0.00 C ATOM 1848 CD1 LEU B 99 -5.939 -3.025 -6.628 1.00 0.00 C ATOM 1849 CD2 LEU B 99 -6.215 -5.480 -7.009 1.00 0.00 C ATOM 0 H LEU B 99 -8.345 -3.811 -3.366 1.00 0.00 H new ATOM 0 HA LEU B 99 -7.784 -6.276 -4.789 1.00 0.00 H new ATOM 0 HB2 LEU B 99 -6.539 -3.589 -4.163 1.00 0.00 H new ATOM 0 HB3 LEU B 99 -5.435 -4.895 -4.544 1.00 0.00 H new ATOM 0 HG LEU B 99 -7.735 -4.136 -6.358 1.00 0.00 H new ATOM 0 HD11 LEU B 99 -6.105 -2.862 -7.693 1.00 0.00 H new ATOM 0 HD12 LEU B 99 -6.317 -2.170 -6.067 1.00 0.00 H new ATOM 0 HD13 LEU B 99 -4.871 -3.139 -6.440 1.00 0.00 H new ATOM 0 HD21 LEU B 99 -6.377 -5.278 -8.068 1.00 0.00 H new ATOM 0 HD22 LEU B 99 -5.155 -5.662 -6.832 1.00 0.00 H new ATOM 0 HD23 LEU B 99 -6.788 -6.360 -6.716 1.00 0.00 H new ATOM 1861 N LEU B 100 -6.496 -5.781 -1.835 1.00 0.00 N ATOM 1862 CA LEU B 100 -5.766 -6.440 -0.751 1.00 0.00 C ATOM 1863 C LEU B 100 -6.275 -7.843 -0.415 1.00 0.00 C ATOM 1864 O LEU B 100 -5.525 -8.802 -0.570 1.00 0.00 O ATOM 1865 CB LEU B 100 -5.734 -5.567 0.503 1.00 0.00 C ATOM 1866 CG LEU B 100 -4.748 -4.412 0.414 1.00 0.00 C ATOM 1867 CD1 LEU B 100 -4.656 -3.661 1.725 1.00 0.00 C ATOM 1868 CD2 LEU B 100 -3.385 -4.919 0.017 1.00 0.00 C ATOM 0 H LEU B 100 -6.822 -4.842 -1.606 1.00 0.00 H new ATOM 0 HA LEU B 100 -4.751 -6.571 -1.126 1.00 0.00 H new ATOM 0 HB2 LEU B 100 -6.732 -5.169 0.684 1.00 0.00 H new ATOM 0 HB3 LEU B 100 -5.478 -6.188 1.362 1.00 0.00 H new ATOM 0 HG LEU B 100 -5.113 -3.722 -0.347 1.00 0.00 H new ATOM 0 HD11 LEU B 100 -3.943 -2.843 1.626 1.00 0.00 H new ATOM 0 HD12 LEU B 100 -5.636 -3.259 1.984 1.00 0.00 H new ATOM 0 HD13 LEU B 100 -4.323 -4.339 2.510 1.00 0.00 H new ATOM 0 HD21 LEU B 100 -2.689 -4.082 -0.043 1.00 0.00 H new ATOM 0 HD22 LEU B 100 -3.031 -5.633 0.761 1.00 0.00 H new ATOM 0 HD23 LEU B 100 -3.448 -5.409 -0.955 1.00 0.00 H new ATOM 1880 N PRO B 101 -7.551 -8.009 0.000 1.00 0.00 N ATOM 1881 CA PRO B 101 -8.096 -9.328 0.383 1.00 0.00 C ATOM 1882 C PRO B 101 -8.051 -10.374 -0.735 1.00 0.00 C ATOM 1883 O PRO B 101 -8.382 -11.534 -0.514 1.00 0.00 O ATOM 1884 CB PRO B 101 -9.550 -9.027 0.765 1.00 0.00 C ATOM 1885 CG PRO B 101 -9.859 -7.727 0.113 1.00 0.00 C ATOM 1886 CD PRO B 101 -8.573 -6.953 0.127 1.00 0.00 C ATOM 0 HA PRO B 101 -7.501 -9.767 1.184 1.00 0.00 H new ATOM 0 HB2 PRO B 101 -10.220 -9.813 0.416 1.00 0.00 H new ATOM 0 HB3 PRO B 101 -9.669 -8.964 1.847 1.00 0.00 H new ATOM 0 HG2 PRO B 101 -10.217 -7.875 -0.906 1.00 0.00 H new ATOM 0 HG3 PRO B 101 -10.643 -7.195 0.652 1.00 0.00 H new ATOM 0 HD2 PRO B 101 -8.522 -6.240 -0.696 1.00 0.00 H new ATOM 0 HD3 PRO B 101 -8.454 -6.384 1.049 1.00 0.00 H new ATOM 1894 N LYS B 102 -7.651 -9.970 -1.935 1.00 0.00 N ATOM 1895 CA LYS B 102 -7.567 -10.901 -3.053 1.00 0.00 C ATOM 1896 C LYS B 102 -6.220 -11.621 -3.049 1.00 0.00 C ATOM 1897 O LYS B 102 -6.070 -12.680 -3.653 1.00 0.00 O ATOM 1898 CB LYS B 102 -7.779 -10.178 -4.384 1.00 0.00 C ATOM 1899 CG LYS B 102 -9.220 -9.763 -4.628 1.00 0.00 C ATOM 1900 CD LYS B 102 -9.502 -9.562 -6.110 1.00 0.00 C ATOM 1901 CE LYS B 102 -8.803 -8.327 -6.656 1.00 0.00 C ATOM 1902 NZ LYS B 102 -9.542 -7.077 -6.328 1.00 0.00 N ATOM 0 H LYS B 102 -7.382 -9.012 -2.158 1.00 0.00 H new ATOM 0 HA LYS B 102 -8.359 -11.641 -2.937 1.00 0.00 H new ATOM 0 HB2 LYS B 102 -7.145 -9.292 -4.412 1.00 0.00 H new ATOM 0 HB3 LYS B 102 -7.454 -10.828 -5.197 1.00 0.00 H new ATOM 0 HG2 LYS B 102 -9.891 -10.524 -4.229 1.00 0.00 H new ATOM 0 HG3 LYS B 102 -9.429 -8.839 -4.089 1.00 0.00 H new ATOM 0 HD2 LYS B 102 -9.173 -10.441 -6.665 1.00 0.00 H new ATOM 0 HD3 LYS B 102 -10.577 -9.470 -6.266 1.00 0.00 H new ATOM 0 HE2 LYS B 102 -7.795 -8.270 -6.246 1.00 0.00 H new ATOM 0 HE3 LYS B 102 -8.703 -8.416 -7.738 1.00 0.00 H new ATOM 0 HZ1 LYS B 102 -8.954 -6.253 -6.566 1.00 0.00 H new ATOM 0 HZ2 LYS B 102 -10.425 -7.042 -6.876 1.00 0.00 H new ATOM 0 HZ3 LYS B 102 -9.764 -7.061 -5.312 1.00 0.00 H new ATOM 1916 N PHE B 103 -5.241 -11.025 -2.377 1.00 0.00 N ATOM 1917 CA PHE B 103 -3.905 -11.610 -2.281 1.00 0.00 C ATOM 1918 C PHE B 103 -3.475 -11.723 -0.818 1.00 0.00 C ATOM 1919 O PHE B 103 -2.526 -12.431 -0.488 1.00 0.00 O ATOM 1920 CB PHE B 103 -2.882 -10.756 -3.044 1.00 0.00 C ATOM 1921 CG PHE B 103 -3.336 -10.308 -4.407 1.00 0.00 C ATOM 1922 CD1 PHE B 103 -3.919 -9.063 -4.578 1.00 0.00 C ATOM 1923 CD2 PHE B 103 -3.176 -11.126 -5.515 1.00 0.00 C ATOM 1924 CE1 PHE B 103 -4.333 -8.640 -5.825 1.00 0.00 C ATOM 1925 CE2 PHE B 103 -3.591 -10.707 -6.767 1.00 0.00 C ATOM 1926 CZ PHE B 103 -4.171 -9.462 -6.921 1.00 0.00 C ATOM 0 H PHE B 103 -5.346 -10.135 -1.889 1.00 0.00 H new ATOM 0 HA PHE B 103 -3.943 -12.605 -2.725 1.00 0.00 H new ATOM 0 HB2 PHE B 103 -2.645 -9.876 -2.446 1.00 0.00 H new ATOM 0 HB3 PHE B 103 -1.959 -11.326 -3.152 1.00 0.00 H new ATOM 0 HD1 PHE B 103 -4.051 -8.415 -3.724 1.00 0.00 H new ATOM 0 HD2 PHE B 103 -2.723 -12.100 -5.400 1.00 0.00 H new ATOM 0 HE1 PHE B 103 -4.784 -7.666 -5.943 1.00 0.00 H new ATOM 0 HE2 PHE B 103 -3.462 -11.353 -7.623 1.00 0.00 H new ATOM 0 HZ PHE B 103 -4.497 -9.133 -7.897 1.00 0.00 H new