USER MOD reduce.3.24.130724 H: found=0, std=0, add=841, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 839 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 20 GLN : amide:sc= -6.1! C(o=-5.9!,f=-13!) USER MOD Set 1.2: A 62 CYS SG : rot 138:sc= 0.18 USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 180:sc= -0.765 USER MOD Single : A 8 LYS NZ :NH3+ -163:sc= -1.27 (180deg=-1.74) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 HIS : no HD1:sc= -10.6! C(o=-11!,f=-7.9!) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 148:sc= -0.304 (180deg=-1.37!) USER MOD Single : A 24 HIS : no HD1:sc= -10.6! C(o=-11!,f=-17!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 179:sc= -2.62! (180deg=-2.71) USER MOD Single : A 29 SER OG : rot 55:sc= 1.11 USER MOD Single : A 30 ASN : amide:sc= -2.07 K(o=-2.1,f=-5.1!) USER MOD Single : A 32 GLN : amide:sc= -7.27! C(o=-7.3!,f=-10!) USER MOD Single : A 36 GLN : amide:sc= -0.0521 K(o=-0.052,f=-1.4!) USER MOD Single : A 44 TYR OH : rot 30:sc= -0.392 USER MOD Single : A 45 TYR OH : rot 180:sc= -4! USER MOD Single : A 46 THR OG1 : rot -44:sc= 0.122 USER MOD Single : A 53 SER OG : rot 155:sc= 0.942 USER MOD Single : A 57 GLN : amide:sc= -5.05! C(o=-5.1!,f=-2.7!) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.196) USER MOD Single : A 75 LYS NZ :NH3+ -149:sc= 0 (180deg=-0.0315) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 THR OG1 : rot 180:sc=0.000785 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 ASN : amide:sc= -5.78! C(o=-5.8!,f=-9.4!) USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 90 LYS NZ :NH3+ -176:sc= -2.56! (180deg=-2.65) USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -18.055 -12.951 8.359 1.00 0.00 N ATOM 2 CA ALA A 1 -17.529 -14.322 8.101 1.00 0.00 C ATOM 3 C ALA A 1 -18.244 -14.923 6.891 1.00 0.00 C ATOM 4 O ALA A 1 -19.025 -15.847 7.015 1.00 0.00 O ATOM 5 CB ALA A 1 -17.774 -15.202 9.328 1.00 0.00 C ATOM 0 H1 ALA A 1 -17.569 -12.542 9.182 1.00 0.00 H new ATOM 0 H2 ALA A 1 -17.888 -12.352 7.525 1.00 0.00 H new ATOM 0 H3 ALA A 1 -19.076 -13.001 8.550 1.00 0.00 H new ATOM 0 HA ALA A 1 -16.459 -14.269 7.901 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -17.390 -16.204 9.139 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -17.263 -14.774 10.191 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -18.844 -15.256 9.529 1.00 0.00 H new ATOM 11 N GLY A 2 -17.987 -14.409 5.720 1.00 0.00 N ATOM 12 CA GLY A 2 -18.653 -14.953 4.504 1.00 0.00 C ATOM 13 C GLY A 2 -18.398 -14.021 3.319 1.00 0.00 C ATOM 14 O GLY A 2 -19.316 -13.500 2.717 1.00 0.00 O ATOM 0 H GLY A 2 -17.344 -13.635 5.553 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -18.272 -15.950 4.284 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -19.725 -15.052 4.678 1.00 0.00 H new ATOM 18 N TYR A 3 -17.156 -13.804 2.977 1.00 0.00 N ATOM 19 CA TYR A 3 -16.846 -12.905 1.830 1.00 0.00 C ATOM 20 C TYR A 3 -17.014 -13.678 0.520 1.00 0.00 C ATOM 21 O TYR A 3 -16.140 -14.413 0.105 1.00 0.00 O ATOM 22 CB TYR A 3 -15.402 -12.407 1.947 1.00 0.00 C ATOM 23 CG TYR A 3 -15.330 -11.294 2.967 1.00 0.00 C ATOM 24 CD1 TYR A 3 -15.982 -10.078 2.721 1.00 0.00 C ATOM 25 CD2 TYR A 3 -14.614 -11.475 4.157 1.00 0.00 C ATOM 26 CE1 TYR A 3 -15.916 -9.046 3.664 1.00 0.00 C ATOM 27 CE2 TYR A 3 -14.549 -10.442 5.099 1.00 0.00 C ATOM 28 CZ TYR A 3 -15.200 -9.227 4.852 1.00 0.00 C ATOM 29 OH TYR A 3 -15.137 -8.209 5.782 1.00 0.00 O ATOM 0 H TYR A 3 -16.344 -14.210 3.442 1.00 0.00 H new ATOM 0 HA TYR A 3 -17.526 -12.053 1.841 1.00 0.00 H new ATOM 0 HB2 TYR A 3 -14.747 -13.227 2.242 1.00 0.00 H new ATOM 0 HB3 TYR A 3 -15.050 -12.050 0.979 1.00 0.00 H new ATOM 0 HD1 TYR A 3 -16.535 -9.937 1.804 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -14.112 -12.412 4.348 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -16.418 -8.109 3.474 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -13.997 -10.582 6.017 1.00 0.00 H new ATOM 0 HH TYR A 3 -14.601 -8.500 6.549 1.00 0.00 H new ATOM 39 N THR A 4 -18.131 -13.517 -0.136 1.00 0.00 N ATOM 40 CA THR A 4 -18.353 -14.242 -1.419 1.00 0.00 C ATOM 41 C THR A 4 -17.632 -13.507 -2.550 1.00 0.00 C ATOM 42 O THR A 4 -17.430 -12.310 -2.497 1.00 0.00 O ATOM 43 CB THR A 4 -19.851 -14.300 -1.722 1.00 0.00 C ATOM 44 OG1 THR A 4 -20.412 -13.004 -1.572 1.00 0.00 O ATOM 45 CG2 THR A 4 -20.535 -15.268 -0.754 1.00 0.00 C ATOM 0 H THR A 4 -18.899 -12.915 0.161 1.00 0.00 H new ATOM 0 HA THR A 4 -17.961 -15.256 -1.335 1.00 0.00 H new ATOM 0 HB THR A 4 -20.001 -14.647 -2.744 1.00 0.00 H new ATOM 0 HG1 THR A 4 -21.372 -13.038 -1.767 1.00 0.00 H new ATOM 0 HG21 THR A 4 -21.602 -15.307 -0.972 1.00 0.00 H new ATOM 0 HG22 THR A 4 -20.104 -16.263 -0.869 1.00 0.00 H new ATOM 0 HG23 THR A 4 -20.386 -14.924 0.270 1.00 0.00 H new ATOM 53 N GLU A 5 -17.242 -14.214 -3.576 1.00 0.00 N ATOM 54 CA GLU A 5 -16.533 -13.554 -4.710 1.00 0.00 C ATOM 55 C GLU A 5 -17.308 -12.305 -5.140 1.00 0.00 C ATOM 56 O GLU A 5 -16.733 -11.267 -5.400 1.00 0.00 O ATOM 57 CB GLU A 5 -16.435 -14.527 -5.889 1.00 0.00 C ATOM 58 CG GLU A 5 -16.087 -15.930 -5.376 1.00 0.00 C ATOM 59 CD GLU A 5 -17.367 -16.665 -4.975 1.00 0.00 C ATOM 60 OE1 GLU A 5 -18.384 -16.008 -4.830 1.00 0.00 O ATOM 61 OE2 GLU A 5 -17.308 -17.874 -4.819 1.00 0.00 O ATOM 0 H GLU A 5 -17.383 -15.219 -3.678 1.00 0.00 H new ATOM 0 HA GLU A 5 -15.530 -13.267 -4.393 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -17.380 -14.552 -6.431 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -15.674 -14.187 -6.591 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -15.562 -16.490 -6.149 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -15.414 -15.859 -4.521 1.00 0.00 H new ATOM 68 N ILE A 6 -18.607 -12.398 -5.216 1.00 0.00 N ATOM 69 CA ILE A 6 -19.416 -11.218 -5.630 1.00 0.00 C ATOM 70 C ILE A 6 -19.182 -10.067 -4.649 1.00 0.00 C ATOM 71 O ILE A 6 -18.803 -8.979 -5.033 1.00 0.00 O ATOM 72 CB ILE A 6 -20.900 -11.592 -5.632 1.00 0.00 C ATOM 73 CG1 ILE A 6 -21.095 -12.921 -6.370 1.00 0.00 C ATOM 74 CG2 ILE A 6 -21.703 -10.495 -6.335 1.00 0.00 C ATOM 75 CD1 ILE A 6 -20.411 -12.862 -7.740 1.00 0.00 C ATOM 0 H ILE A 6 -19.143 -13.241 -5.009 1.00 0.00 H new ATOM 0 HA ILE A 6 -19.117 -10.908 -6.631 1.00 0.00 H new ATOM 0 HB ILE A 6 -21.248 -11.695 -4.604 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -20.679 -13.738 -5.781 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -22.158 -13.126 -6.493 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -22.760 -10.762 -6.336 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -21.568 -9.551 -5.808 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -21.354 -10.390 -7.362 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -20.554 -13.810 -8.259 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -20.847 -12.056 -8.330 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -19.345 -12.678 -7.607 1.00 0.00 H new ATOM 87 N GLU A 7 -19.407 -10.296 -3.384 1.00 0.00 N ATOM 88 CA GLU A 7 -19.199 -9.212 -2.381 1.00 0.00 C ATOM 89 C GLU A 7 -17.850 -8.536 -2.630 1.00 0.00 C ATOM 90 O GLU A 7 -17.779 -7.363 -2.942 1.00 0.00 O ATOM 91 CB GLU A 7 -19.215 -9.812 -0.973 1.00 0.00 C ATOM 92 CG GLU A 7 -20.642 -10.232 -0.614 1.00 0.00 C ATOM 93 CD GLU A 7 -21.484 -8.988 -0.327 1.00 0.00 C ATOM 94 OE1 GLU A 7 -20.966 -8.076 0.296 1.00 0.00 O ATOM 95 OE2 GLU A 7 -22.633 -8.968 -0.737 1.00 0.00 O ATOM 0 H GLU A 7 -19.726 -11.186 -3.001 1.00 0.00 H new ATOM 0 HA GLU A 7 -19.997 -8.475 -2.473 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -18.548 -10.673 -0.925 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -18.847 -9.083 -0.251 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -21.082 -10.801 -1.433 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -20.631 -10.886 0.258 1.00 0.00 H new ATOM 102 N LYS A 8 -16.777 -9.265 -2.490 1.00 0.00 N ATOM 103 CA LYS A 8 -15.431 -8.667 -2.714 1.00 0.00 C ATOM 104 C LYS A 8 -15.423 -7.879 -4.024 1.00 0.00 C ATOM 105 O LYS A 8 -14.834 -6.823 -4.116 1.00 0.00 O ATOM 106 CB LYS A 8 -14.384 -9.781 -2.786 1.00 0.00 C ATOM 107 CG LYS A 8 -14.436 -10.616 -1.503 1.00 0.00 C ATOM 108 CD LYS A 8 -13.175 -11.481 -1.388 1.00 0.00 C ATOM 109 CE LYS A 8 -13.296 -12.701 -2.305 1.00 0.00 C ATOM 110 NZ LYS A 8 -14.442 -13.545 -1.861 1.00 0.00 N ATOM 0 H LYS A 8 -16.775 -10.251 -2.230 1.00 0.00 H new ATOM 0 HA LYS A 8 -15.196 -7.995 -1.889 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -14.571 -10.415 -3.653 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -13.390 -9.352 -2.913 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -14.518 -9.961 -0.636 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -15.323 -11.250 -1.508 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -12.296 -10.896 -1.660 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -13.037 -11.803 -0.356 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -13.444 -12.381 -3.336 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -12.373 -13.280 -2.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -14.357 -14.493 -2.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -14.435 -13.622 -0.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -15.334 -13.109 -2.170 1.00 0.00 H new ATOM 124 N LEU A 9 -16.060 -8.381 -5.043 1.00 0.00 N ATOM 125 CA LEU A 9 -16.071 -7.649 -6.341 1.00 0.00 C ATOM 126 C LEU A 9 -16.843 -6.335 -6.190 1.00 0.00 C ATOM 127 O LEU A 9 -16.409 -5.294 -6.642 1.00 0.00 O ATOM 128 CB LEU A 9 -16.744 -8.517 -7.408 1.00 0.00 C ATOM 129 CG LEU A 9 -16.432 -7.964 -8.805 1.00 0.00 C ATOM 130 CD1 LEU A 9 -15.089 -8.515 -9.295 1.00 0.00 C ATOM 131 CD2 LEU A 9 -17.536 -8.387 -9.777 1.00 0.00 C ATOM 0 H LEU A 9 -16.572 -9.263 -5.035 1.00 0.00 H new ATOM 0 HA LEU A 9 -15.046 -7.430 -6.640 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -16.392 -9.545 -7.328 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -17.822 -8.536 -7.247 1.00 0.00 H new ATOM 0 HG LEU A 9 -16.380 -6.876 -8.756 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -14.873 -8.119 -10.287 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -14.300 -8.216 -8.605 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -15.137 -9.603 -9.341 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -17.316 -7.995 -10.770 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -17.586 -9.475 -9.819 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -18.493 -7.993 -9.435 1.00 0.00 H new ATOM 143 N GLU A 10 -17.985 -6.375 -5.562 1.00 0.00 N ATOM 144 CA GLU A 10 -18.788 -5.130 -5.389 1.00 0.00 C ATOM 145 C GLU A 10 -17.960 -4.072 -4.655 1.00 0.00 C ATOM 146 O GLU A 10 -17.846 -2.946 -5.097 1.00 0.00 O ATOM 147 CB GLU A 10 -20.046 -5.445 -4.578 1.00 0.00 C ATOM 148 CG GLU A 10 -21.036 -4.284 -4.697 1.00 0.00 C ATOM 149 CD GLU A 10 -21.613 -4.247 -6.114 1.00 0.00 C ATOM 150 OE1 GLU A 10 -21.366 -5.182 -6.858 1.00 0.00 O ATOM 151 OE2 GLU A 10 -22.292 -3.284 -6.430 1.00 0.00 O ATOM 0 H GLU A 10 -18.398 -7.217 -5.160 1.00 0.00 H new ATOM 0 HA GLU A 10 -19.070 -4.746 -6.370 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -20.504 -6.365 -4.940 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -19.786 -5.609 -3.532 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -21.839 -4.401 -3.969 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -20.536 -3.342 -4.472 1.00 0.00 H new ATOM 158 N ILE A 11 -17.391 -4.418 -3.533 1.00 0.00 N ATOM 159 CA ILE A 11 -16.586 -3.420 -2.772 1.00 0.00 C ATOM 160 C ILE A 11 -15.255 -3.162 -3.485 1.00 0.00 C ATOM 161 O ILE A 11 -14.996 -2.073 -3.942 1.00 0.00 O ATOM 162 CB ILE A 11 -16.313 -3.942 -1.353 1.00 0.00 C ATOM 163 CG1 ILE A 11 -16.250 -5.476 -1.360 1.00 0.00 C ATOM 164 CG2 ILE A 11 -17.432 -3.485 -0.413 1.00 0.00 C ATOM 165 CD1 ILE A 11 -15.283 -5.956 -0.273 1.00 0.00 C ATOM 0 H ILE A 11 -17.448 -5.345 -3.111 1.00 0.00 H new ATOM 0 HA ILE A 11 -17.148 -2.488 -2.714 1.00 0.00 H new ATOM 0 HB ILE A 11 -15.359 -3.545 -1.007 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -17.243 -5.892 -1.187 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -15.921 -5.832 -2.336 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -17.236 -3.856 0.593 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -17.471 -2.396 -0.397 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -18.386 -3.877 -0.765 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -15.240 -7.045 -0.280 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -14.289 -5.552 -0.466 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -15.631 -5.613 0.701 1.00 0.00 H new ATOM 177 N VAL A 12 -14.408 -4.148 -3.572 1.00 0.00 N ATOM 178 CA VAL A 12 -13.085 -3.951 -4.239 1.00 0.00 C ATOM 179 C VAL A 12 -13.229 -3.065 -5.479 1.00 0.00 C ATOM 180 O VAL A 12 -12.372 -2.256 -5.768 1.00 0.00 O ATOM 181 CB VAL A 12 -12.511 -5.308 -4.650 1.00 0.00 C ATOM 182 CG1 VAL A 12 -11.172 -5.100 -5.361 1.00 0.00 C ATOM 183 CG2 VAL A 12 -12.299 -6.171 -3.402 1.00 0.00 C ATOM 0 H VAL A 12 -14.573 -5.087 -3.209 1.00 0.00 H new ATOM 0 HA VAL A 12 -12.413 -3.461 -3.535 1.00 0.00 H new ATOM 0 HB VAL A 12 -13.206 -5.809 -5.324 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -10.762 -6.066 -5.654 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -11.323 -4.485 -6.248 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -10.476 -4.600 -4.687 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -11.890 -7.138 -3.694 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -11.603 -5.671 -2.728 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -13.253 -6.318 -2.895 1.00 0.00 H new ATOM 193 N LYS A 13 -14.281 -3.218 -6.228 1.00 0.00 N ATOM 194 CA LYS A 13 -14.432 -2.382 -7.452 1.00 0.00 C ATOM 195 C LYS A 13 -15.005 -0.995 -7.124 1.00 0.00 C ATOM 196 O LYS A 13 -14.616 -0.006 -7.711 1.00 0.00 O ATOM 197 CB LYS A 13 -15.356 -3.090 -8.445 1.00 0.00 C ATOM 198 CG LYS A 13 -15.257 -2.402 -9.808 1.00 0.00 C ATOM 199 CD LYS A 13 -16.154 -3.127 -10.814 1.00 0.00 C ATOM 200 CE LYS A 13 -15.792 -2.684 -12.234 1.00 0.00 C ATOM 201 NZ LYS A 13 -16.767 -3.266 -13.199 1.00 0.00 N ATOM 0 H LYS A 13 -15.038 -3.879 -6.050 1.00 0.00 H new ATOM 0 HA LYS A 13 -13.443 -2.245 -7.888 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -15.077 -4.140 -8.534 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -16.385 -3.063 -8.085 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -15.559 -1.358 -9.723 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -14.224 -2.408 -10.156 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -16.031 -4.206 -10.716 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -17.201 -2.906 -10.609 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -15.803 -1.596 -12.301 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -14.781 -3.009 -12.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -16.522 -2.966 -14.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -16.735 -4.304 -13.141 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -17.725 -2.935 -12.966 1.00 0.00 H new ATOM 215 N ASP A 14 -15.952 -0.911 -6.233 1.00 0.00 N ATOM 216 CA ASP A 14 -16.566 0.418 -5.919 1.00 0.00 C ATOM 217 C ASP A 14 -15.710 1.225 -4.930 1.00 0.00 C ATOM 218 O ASP A 14 -15.511 2.411 -5.099 1.00 0.00 O ATOM 219 CB ASP A 14 -17.953 0.197 -5.315 1.00 0.00 C ATOM 220 CG ASP A 14 -18.914 -0.280 -6.405 1.00 0.00 C ATOM 221 OD1 ASP A 14 -18.895 -1.462 -6.709 1.00 0.00 O ATOM 222 OD2 ASP A 14 -19.653 0.544 -6.919 1.00 0.00 O ATOM 0 H ASP A 14 -16.330 -1.700 -5.708 1.00 0.00 H new ATOM 0 HA ASP A 14 -16.633 0.986 -6.847 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -17.899 -0.541 -4.514 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -18.320 1.123 -4.871 1.00 0.00 H new ATOM 227 N HIS A 15 -15.245 0.608 -3.880 1.00 0.00 N ATOM 228 CA HIS A 15 -14.449 1.347 -2.851 1.00 0.00 C ATOM 229 C HIS A 15 -13.130 1.896 -3.416 1.00 0.00 C ATOM 230 O HIS A 15 -12.705 2.972 -3.052 1.00 0.00 O ATOM 231 CB HIS A 15 -14.160 0.413 -1.667 1.00 0.00 C ATOM 232 CG HIS A 15 -12.876 -0.339 -1.899 1.00 0.00 C ATOM 233 ND1 HIS A 15 -11.871 -0.399 -0.942 1.00 0.00 N ATOM 234 CD2 HIS A 15 -12.417 -1.065 -2.970 1.00 0.00 C ATOM 235 CE1 HIS A 15 -10.868 -1.138 -1.453 1.00 0.00 C ATOM 236 NE2 HIS A 15 -11.153 -1.565 -2.684 1.00 0.00 N ATOM 0 H HIS A 15 -15.381 -0.384 -3.686 1.00 0.00 H new ATOM 0 HA HIS A 15 -15.040 2.203 -2.524 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -14.089 0.992 -0.746 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -14.983 -0.290 -1.539 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -12.956 -1.223 -3.893 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -9.948 -1.357 -0.931 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -10.566 -2.139 -3.289 1.00 0.00 H new ATOM 245 N LEU A 16 -12.456 1.167 -4.263 1.00 0.00 N ATOM 246 CA LEU A 16 -11.145 1.663 -4.793 1.00 0.00 C ATOM 247 C LEU A 16 -11.191 3.173 -5.060 1.00 0.00 C ATOM 248 O LEU A 16 -10.218 3.870 -4.851 1.00 0.00 O ATOM 249 CB LEU A 16 -10.768 0.923 -6.086 1.00 0.00 C ATOM 250 CG LEU A 16 -11.958 0.865 -7.057 1.00 0.00 C ATOM 251 CD1 LEU A 16 -12.151 2.216 -7.772 1.00 0.00 C ATOM 252 CD2 LEU A 16 -11.690 -0.221 -8.105 1.00 0.00 C ATOM 0 H LEU A 16 -12.750 0.255 -4.612 1.00 0.00 H new ATOM 0 HA LEU A 16 -10.388 1.466 -4.034 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -9.928 1.426 -6.565 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -10.440 -0.089 -5.847 1.00 0.00 H new ATOM 0 HG LEU A 16 -12.862 0.639 -6.491 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -12.999 2.149 -8.454 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -12.340 2.995 -7.033 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -11.251 2.461 -8.336 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -12.528 -0.271 -8.800 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -10.779 0.019 -8.653 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -11.572 -1.184 -7.609 1.00 0.00 H new ATOM 264 N LEU A 17 -12.287 3.686 -5.541 1.00 0.00 N ATOM 265 CA LEU A 17 -12.346 5.148 -5.838 1.00 0.00 C ATOM 266 C LEU A 17 -12.301 5.975 -4.538 1.00 0.00 C ATOM 267 O LEU A 17 -11.332 6.659 -4.281 1.00 0.00 O ATOM 268 CB LEU A 17 -13.623 5.461 -6.637 1.00 0.00 C ATOM 269 CG LEU A 17 -13.304 5.506 -8.139 1.00 0.00 C ATOM 270 CD1 LEU A 17 -14.579 5.234 -8.941 1.00 0.00 C ATOM 271 CD2 LEU A 17 -12.761 6.889 -8.510 1.00 0.00 C ATOM 0 H LEU A 17 -13.140 3.164 -5.741 1.00 0.00 H new ATOM 0 HA LEU A 17 -11.476 5.421 -6.435 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -14.380 4.702 -6.440 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -14.038 6.416 -6.316 1.00 0.00 H new ATOM 0 HG LEU A 17 -12.556 4.747 -8.370 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -14.352 5.266 -10.007 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -14.968 4.249 -8.682 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -15.326 5.993 -8.706 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -12.536 6.917 -9.576 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -13.508 7.648 -8.277 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -11.852 7.088 -7.942 1.00 0.00 H new ATOM 283 N PRO A 18 -13.334 5.935 -3.728 1.00 0.00 N ATOM 284 CA PRO A 18 -13.384 6.721 -2.452 1.00 0.00 C ATOM 285 C PRO A 18 -12.355 6.253 -1.413 1.00 0.00 C ATOM 286 O PRO A 18 -11.703 7.051 -0.775 1.00 0.00 O ATOM 287 CB PRO A 18 -14.807 6.481 -1.932 1.00 0.00 C ATOM 288 CG PRO A 18 -15.220 5.185 -2.541 1.00 0.00 C ATOM 289 CD PRO A 18 -14.563 5.146 -3.917 1.00 0.00 C ATOM 0 HA PRO A 18 -13.145 7.770 -2.627 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -14.827 6.431 -0.843 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -15.477 7.288 -2.227 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -14.895 4.344 -1.928 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -16.305 5.119 -2.623 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -14.342 4.125 -4.228 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -15.206 5.580 -4.682 1.00 0.00 H new ATOM 297 N LYS A 19 -12.213 4.973 -1.226 1.00 0.00 N ATOM 298 CA LYS A 19 -11.236 4.473 -0.216 1.00 0.00 C ATOM 299 C LYS A 19 -9.893 5.193 -0.391 1.00 0.00 C ATOM 300 O LYS A 19 -9.328 5.712 0.550 1.00 0.00 O ATOM 301 CB LYS A 19 -11.043 2.962 -0.402 1.00 0.00 C ATOM 302 CG LYS A 19 -10.804 2.296 0.957 1.00 0.00 C ATOM 303 CD LYS A 19 -9.541 2.873 1.599 1.00 0.00 C ATOM 304 CE LYS A 19 -9.121 1.993 2.777 1.00 0.00 C ATOM 305 NZ LYS A 19 -8.053 2.683 3.556 1.00 0.00 N ATOM 0 H LYS A 19 -12.729 4.250 -1.727 1.00 0.00 H new ATOM 0 HA LYS A 19 -11.616 4.671 0.786 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -11.923 2.530 -0.879 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -10.197 2.773 -1.063 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -11.662 2.460 1.609 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -10.700 1.218 0.831 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -8.737 2.924 0.864 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -9.726 3.892 1.940 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -9.979 1.790 3.417 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -8.758 1.031 2.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -7.767 2.085 4.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -7.232 2.855 2.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -8.415 3.590 3.913 1.00 0.00 H new ATOM 319 N GLN A 20 -9.376 5.220 -1.588 1.00 0.00 N ATOM 320 CA GLN A 20 -8.068 5.894 -1.828 1.00 0.00 C ATOM 321 C GLN A 20 -8.271 7.410 -1.944 1.00 0.00 C ATOM 322 O GLN A 20 -7.644 8.185 -1.249 1.00 0.00 O ATOM 323 CB GLN A 20 -7.454 5.364 -3.128 1.00 0.00 C ATOM 324 CG GLN A 20 -7.664 3.850 -3.231 1.00 0.00 C ATOM 325 CD GLN A 20 -6.816 3.139 -2.174 1.00 0.00 C ATOM 326 OE1 GLN A 20 -5.910 2.400 -2.503 1.00 0.00 O ATOM 327 NE2 GLN A 20 -7.076 3.330 -0.909 1.00 0.00 N ATOM 0 H GLN A 20 -9.805 4.803 -2.414 1.00 0.00 H new ATOM 0 HA GLN A 20 -7.401 5.685 -0.992 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -7.910 5.861 -3.984 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -6.389 5.594 -3.156 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -8.717 3.609 -3.089 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -7.389 3.502 -4.227 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -7.837 3.951 -0.633 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -6.518 2.859 -0.197 1.00 0.00 H new ATOM 336 N ILE A 21 -9.129 7.834 -2.829 1.00 0.00 N ATOM 337 CA ILE A 21 -9.367 9.297 -3.013 1.00 0.00 C ATOM 338 C ILE A 21 -9.582 9.989 -1.662 1.00 0.00 C ATOM 339 O ILE A 21 -9.156 11.102 -1.465 1.00 0.00 O ATOM 340 CB ILE A 21 -10.600 9.508 -3.903 1.00 0.00 C ATOM 341 CG1 ILE A 21 -10.255 9.169 -5.363 1.00 0.00 C ATOM 342 CG2 ILE A 21 -11.068 10.965 -3.813 1.00 0.00 C ATOM 343 CD1 ILE A 21 -9.127 10.074 -5.879 1.00 0.00 C ATOM 0 H ILE A 21 -9.680 7.228 -3.437 1.00 0.00 H new ATOM 0 HA ILE A 21 -8.489 9.734 -3.489 1.00 0.00 H new ATOM 0 HB ILE A 21 -11.400 8.852 -3.559 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -9.952 8.124 -5.437 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -11.140 9.290 -5.988 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -11.943 11.106 -4.447 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -11.326 11.201 -2.781 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -10.268 11.625 -4.147 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -8.899 9.817 -6.913 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -9.443 11.116 -5.825 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -8.237 9.932 -5.265 1.00 0.00 H new ATOM 355 N LYS A 22 -10.260 9.363 -0.743 1.00 0.00 N ATOM 356 CA LYS A 22 -10.508 10.025 0.574 1.00 0.00 C ATOM 357 C LYS A 22 -9.199 10.179 1.354 1.00 0.00 C ATOM 358 O LYS A 22 -8.592 11.236 1.365 1.00 0.00 O ATOM 359 CB LYS A 22 -11.488 9.178 1.390 1.00 0.00 C ATOM 360 CG LYS A 22 -11.784 9.880 2.719 1.00 0.00 C ATOM 361 CD LYS A 22 -13.011 9.243 3.381 1.00 0.00 C ATOM 362 CE LYS A 22 -12.660 7.840 3.887 1.00 0.00 C ATOM 363 NZ LYS A 22 -11.417 7.901 4.706 1.00 0.00 N ATOM 0 H LYS A 22 -10.653 8.427 -0.842 1.00 0.00 H new ATOM 0 HA LYS A 22 -10.928 11.015 0.396 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -12.412 9.031 0.830 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -11.066 8.190 1.574 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -10.921 9.804 3.381 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -11.962 10.942 2.548 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -13.351 9.864 4.210 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -13.832 9.187 2.667 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -13.481 7.441 4.483 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -12.520 7.163 3.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -11.457 7.178 5.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -10.592 7.726 4.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -11.333 8.842 5.141 1.00 0.00 H new ATOM 377 N GLU A 23 -8.762 9.134 2.011 1.00 0.00 N ATOM 378 CA GLU A 23 -7.493 9.217 2.792 1.00 0.00 C ATOM 379 C GLU A 23 -6.464 10.010 1.989 1.00 0.00 C ATOM 380 O GLU A 23 -5.713 10.803 2.521 1.00 0.00 O ATOM 381 CB GLU A 23 -6.962 7.807 3.057 1.00 0.00 C ATOM 382 CG GLU A 23 -5.657 7.891 3.850 1.00 0.00 C ATOM 383 CD GLU A 23 -5.240 6.489 4.298 1.00 0.00 C ATOM 384 OE1 GLU A 23 -5.158 5.618 3.449 1.00 0.00 O ATOM 385 OE2 GLU A 23 -5.012 6.311 5.484 1.00 0.00 O ATOM 0 H GLU A 23 -9.230 8.228 2.039 1.00 0.00 H new ATOM 0 HA GLU A 23 -7.678 9.715 3.744 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -7.700 7.228 3.612 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -6.793 7.288 2.114 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -4.874 8.336 3.236 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -5.787 8.538 4.718 1.00 0.00 H new ATOM 392 N HIS A 24 -6.440 9.802 0.705 1.00 0.00 N ATOM 393 CA HIS A 24 -5.483 10.541 -0.160 1.00 0.00 C ATOM 394 C HIS A 24 -6.052 11.933 -0.434 1.00 0.00 C ATOM 395 O HIS A 24 -5.340 12.915 -0.473 1.00 0.00 O ATOM 396 CB HIS A 24 -5.296 9.776 -1.472 1.00 0.00 C ATOM 397 CG HIS A 24 -5.000 8.329 -1.170 1.00 0.00 C ATOM 398 ND1 HIS A 24 -5.561 7.667 -0.084 1.00 0.00 N ATOM 399 CD2 HIS A 24 -4.201 7.404 -1.797 1.00 0.00 C ATOM 400 CE1 HIS A 24 -5.095 6.404 -0.092 1.00 0.00 C ATOM 401 NE2 HIS A 24 -4.265 6.195 -1.113 1.00 0.00 N ATOM 0 H HIS A 24 -7.047 9.146 0.213 1.00 0.00 H new ATOM 0 HA HIS A 24 -4.515 10.635 0.333 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -6.195 9.855 -2.083 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -4.480 10.213 -2.048 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -3.614 7.588 -2.685 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -5.361 5.654 0.638 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -3.778 5.329 -1.345 1.00 0.00 H new ATOM 410 N GLY A 25 -7.342 12.011 -0.621 1.00 0.00 N ATOM 411 CA GLY A 25 -8.007 13.321 -0.890 1.00 0.00 C ATOM 412 C GLY A 25 -7.391 14.414 -0.020 1.00 0.00 C ATOM 413 O GLY A 25 -7.243 15.542 -0.447 1.00 0.00 O ATOM 0 H GLY A 25 -7.974 11.210 -0.599 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -7.901 13.581 -1.943 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -9.075 13.243 -0.687 1.00 0.00 H new ATOM 417 N LEU A 26 -7.044 14.096 1.201 1.00 0.00 N ATOM 418 CA LEU A 26 -6.449 15.134 2.101 1.00 0.00 C ATOM 419 C LEU A 26 -5.538 16.051 1.276 1.00 0.00 C ATOM 420 O LEU A 26 -5.530 17.253 1.453 1.00 0.00 O ATOM 421 CB LEU A 26 -5.630 14.448 3.202 1.00 0.00 C ATOM 422 CG LEU A 26 -6.541 14.101 4.381 1.00 0.00 C ATOM 423 CD1 LEU A 26 -7.678 13.198 3.898 1.00 0.00 C ATOM 424 CD2 LEU A 26 -5.730 13.371 5.453 1.00 0.00 C ATOM 0 H LEU A 26 -7.145 13.169 1.613 1.00 0.00 H new ATOM 0 HA LEU A 26 -7.243 15.724 2.559 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -5.164 13.543 2.812 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -4.825 15.104 3.533 1.00 0.00 H new ATOM 0 HG LEU A 26 -6.958 15.016 4.801 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -8.328 12.950 4.738 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -8.255 13.718 3.133 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -7.262 12.282 3.479 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -6.378 13.123 6.294 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -5.314 12.455 5.034 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -4.920 14.014 5.797 1.00 0.00 H new ATOM 436 N LYS A 27 -4.798 15.496 0.354 1.00 0.00 N ATOM 437 CA LYS A 27 -3.920 16.335 -0.507 1.00 0.00 C ATOM 438 C LYS A 27 -4.649 16.580 -1.829 1.00 0.00 C ATOM 439 O LYS A 27 -5.602 15.897 -2.150 1.00 0.00 O ATOM 440 CB LYS A 27 -2.606 15.599 -0.779 1.00 0.00 C ATOM 441 CG LYS A 27 -1.771 15.546 0.502 1.00 0.00 C ATOM 442 CD LYS A 27 -0.687 14.474 0.361 1.00 0.00 C ATOM 443 CE LYS A 27 0.195 14.793 -0.849 1.00 0.00 C ATOM 444 NZ LYS A 27 1.432 13.965 -0.793 1.00 0.00 N ATOM 0 H LYS A 27 -4.765 14.495 0.161 1.00 0.00 H new ATOM 0 HA LYS A 27 -3.698 17.280 -0.011 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -2.810 14.589 -1.134 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -2.050 16.107 -1.567 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -1.314 16.517 0.691 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -2.410 15.322 1.356 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -0.080 14.434 1.266 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -1.145 13.492 0.241 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -0.349 14.592 -1.772 1.00 0.00 H new ATOM 0 HE3 LYS A 27 0.453 15.852 -0.855 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 2.032 14.181 -1.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 1.953 14.178 0.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 1.176 12.957 -0.807 1.00 0.00 H new ATOM 458 N LYS A 28 -4.224 17.540 -2.600 1.00 0.00 N ATOM 459 CA LYS A 28 -4.914 17.802 -3.896 1.00 0.00 C ATOM 460 C LYS A 28 -5.122 16.474 -4.630 1.00 0.00 C ATOM 461 O LYS A 28 -4.437 15.504 -4.375 1.00 0.00 O ATOM 462 CB LYS A 28 -4.057 18.732 -4.757 1.00 0.00 C ATOM 463 CG LYS A 28 -4.629 18.787 -6.181 1.00 0.00 C ATOM 464 CD LYS A 28 -4.230 20.108 -6.855 1.00 0.00 C ATOM 465 CE LYS A 28 -5.301 21.171 -6.593 1.00 0.00 C ATOM 466 NZ LYS A 28 -5.797 21.050 -5.193 1.00 0.00 N ATOM 0 H LYS A 28 -3.435 18.152 -2.393 1.00 0.00 H new ATOM 0 HA LYS A 28 -5.878 18.275 -3.708 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -4.038 19.732 -4.323 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -3.027 18.376 -4.781 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -4.257 17.945 -6.764 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -5.715 18.698 -6.150 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -3.268 20.446 -6.471 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -4.110 19.957 -7.928 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -4.888 22.166 -6.758 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -6.127 21.049 -7.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -6.512 21.784 -5.013 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -6.223 20.111 -5.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -5.003 21.170 -4.532 1.00 0.00 H new ATOM 480 N SER A 29 -6.060 16.420 -5.540 1.00 0.00 N ATOM 481 CA SER A 29 -6.301 15.150 -6.288 1.00 0.00 C ATOM 482 C SER A 29 -4.959 14.572 -6.735 1.00 0.00 C ATOM 483 O SER A 29 -4.447 14.907 -7.785 1.00 0.00 O ATOM 484 CB SER A 29 -7.169 15.436 -7.515 1.00 0.00 C ATOM 485 OG SER A 29 -6.397 16.131 -8.484 1.00 0.00 O ATOM 0 H SER A 29 -6.668 17.198 -5.797 1.00 0.00 H new ATOM 0 HA SER A 29 -6.813 14.435 -5.644 1.00 0.00 H new ATOM 0 HB2 SER A 29 -7.545 14.503 -7.934 1.00 0.00 H new ATOM 0 HB3 SER A 29 -8.037 16.030 -7.230 1.00 0.00 H new ATOM 0 HG SER A 29 -5.584 15.621 -8.682 1.00 0.00 H new ATOM 491 N ASN A 30 -4.374 13.721 -5.933 1.00 0.00 N ATOM 492 CA ASN A 30 -3.050 13.134 -6.292 1.00 0.00 C ATOM 493 C ASN A 30 -3.169 11.621 -6.490 1.00 0.00 C ATOM 494 O ASN A 30 -2.388 10.856 -5.958 1.00 0.00 O ATOM 495 CB ASN A 30 -2.060 13.420 -5.160 1.00 0.00 C ATOM 496 CG ASN A 30 -0.637 13.108 -5.631 1.00 0.00 C ATOM 497 OD1 ASN A 30 0.017 12.240 -5.089 1.00 0.00 O ATOM 498 ND2 ASN A 30 -0.129 13.785 -6.624 1.00 0.00 N ATOM 0 H ASN A 30 -4.758 13.407 -5.042 1.00 0.00 H new ATOM 0 HA ASN A 30 -2.702 13.581 -7.223 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -2.132 14.464 -4.855 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -2.306 12.815 -4.287 1.00 0.00 H new ATOM 0 HD21 ASN A 30 0.818 13.585 -6.946 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -0.679 14.514 -7.079 1.00 0.00 H new ATOM 505 N LEU A 31 -4.126 11.179 -7.257 1.00 0.00 N ATOM 506 CA LEU A 31 -4.269 9.715 -7.486 1.00 0.00 C ATOM 507 C LEU A 31 -5.126 9.466 -8.731 1.00 0.00 C ATOM 508 O LEU A 31 -6.175 10.054 -8.902 1.00 0.00 O ATOM 509 CB LEU A 31 -4.933 9.073 -6.269 1.00 0.00 C ATOM 510 CG LEU A 31 -4.920 7.548 -6.412 1.00 0.00 C ATOM 511 CD1 LEU A 31 -3.478 7.025 -6.356 1.00 0.00 C ATOM 512 CD2 LEU A 31 -5.732 6.934 -5.271 1.00 0.00 C ATOM 0 H LEU A 31 -4.812 11.765 -7.733 1.00 0.00 H new ATOM 0 HA LEU A 31 -3.283 9.275 -7.637 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -4.408 9.366 -5.360 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -5.959 9.429 -6.173 1.00 0.00 H new ATOM 0 HG LEU A 31 -5.358 7.271 -7.371 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.480 5.940 -6.459 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -2.900 7.465 -7.168 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.029 7.298 -5.401 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -5.728 5.848 -5.365 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -5.289 7.217 -4.316 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -6.758 7.299 -5.318 1.00 0.00 H new ATOM 524 N GLN A 32 -4.689 8.593 -9.600 1.00 0.00 N ATOM 525 CA GLN A 32 -5.479 8.299 -10.831 1.00 0.00 C ATOM 526 C GLN A 32 -5.240 6.840 -11.240 1.00 0.00 C ATOM 527 O GLN A 32 -4.532 6.553 -12.184 1.00 0.00 O ATOM 528 CB GLN A 32 -5.043 9.253 -11.958 1.00 0.00 C ATOM 529 CG GLN A 32 -6.246 10.061 -12.453 1.00 0.00 C ATOM 530 CD GLN A 32 -6.784 10.928 -11.313 1.00 0.00 C ATOM 531 OE1 GLN A 32 -6.102 11.810 -10.832 1.00 0.00 O ATOM 532 NE2 GLN A 32 -7.988 10.712 -10.859 1.00 0.00 N ATOM 0 H GLN A 32 -3.818 8.070 -9.510 1.00 0.00 H new ATOM 0 HA GLN A 32 -6.542 8.447 -10.641 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -4.266 9.926 -11.596 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -4.613 8.684 -12.782 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -5.954 10.689 -13.295 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -7.026 9.389 -12.812 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -8.560 9.971 -11.264 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -8.357 11.284 -10.100 1.00 0.00 H new ATOM 541 N LEU A 33 -5.825 5.915 -10.529 1.00 0.00 N ATOM 542 CA LEU A 33 -5.631 4.478 -10.868 1.00 0.00 C ATOM 543 C LEU A 33 -6.748 4.015 -11.802 1.00 0.00 C ATOM 544 O LEU A 33 -7.683 4.741 -12.079 1.00 0.00 O ATOM 545 CB LEU A 33 -5.647 3.634 -9.586 1.00 0.00 C ATOM 546 CG LEU A 33 -6.900 3.949 -8.755 1.00 0.00 C ATOM 547 CD1 LEU A 33 -8.148 3.338 -9.410 1.00 0.00 C ATOM 548 CD2 LEU A 33 -6.726 3.366 -7.349 1.00 0.00 C ATOM 0 H LEU A 33 -6.430 6.093 -9.727 1.00 0.00 H new ATOM 0 HA LEU A 33 -4.669 4.354 -11.366 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -5.628 2.574 -9.840 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -4.752 3.837 -8.998 1.00 0.00 H new ATOM 0 HG LEU A 33 -7.028 5.030 -8.700 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -9.026 3.571 -8.808 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -8.274 3.752 -10.410 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -8.031 2.256 -9.477 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -7.611 3.585 -6.752 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -6.592 2.286 -7.417 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -5.850 3.811 -6.876 1.00 0.00 H new ATOM 560 N ARG A 34 -6.652 2.809 -12.286 1.00 0.00 N ATOM 561 CA ARG A 34 -7.700 2.274 -13.205 1.00 0.00 C ATOM 562 C ARG A 34 -8.173 0.911 -12.694 1.00 0.00 C ATOM 563 O ARG A 34 -7.504 0.265 -11.913 1.00 0.00 O ATOM 564 CB ARG A 34 -7.111 2.111 -14.608 1.00 0.00 C ATOM 565 CG ARG A 34 -6.949 3.487 -15.257 1.00 0.00 C ATOM 566 CD ARG A 34 -6.438 3.319 -16.690 1.00 0.00 C ATOM 567 NE ARG A 34 -6.574 4.611 -17.419 1.00 0.00 N ATOM 568 CZ ARG A 34 -5.690 5.554 -17.244 1.00 0.00 C ATOM 569 NH1 ARG A 34 -4.689 5.366 -16.428 1.00 0.00 N ATOM 570 NH2 ARG A 34 -5.807 6.685 -17.883 1.00 0.00 N ATOM 0 H ARG A 34 -5.888 2.165 -12.084 1.00 0.00 H new ATOM 0 HA ARG A 34 -8.542 2.965 -13.240 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -6.146 1.608 -14.552 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -7.763 1.484 -15.217 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -7.903 4.014 -15.259 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -6.251 4.093 -14.680 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -5.395 3.002 -16.681 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -7.004 2.540 -17.200 1.00 0.00 H new ATOM 0 HE ARG A 34 -7.358 4.758 -18.055 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -4.598 4.482 -15.927 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -3.997 6.103 -16.291 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -6.590 6.832 -18.520 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -5.115 7.422 -17.746 1.00 0.00 H new ATOM 584 N ASP A 35 -9.320 0.468 -13.130 1.00 0.00 N ATOM 585 CA ASP A 35 -9.830 -0.853 -12.667 1.00 0.00 C ATOM 586 C ASP A 35 -8.835 -1.947 -13.059 1.00 0.00 C ATOM 587 O ASP A 35 -8.468 -2.783 -12.257 1.00 0.00 O ATOM 588 CB ASP A 35 -11.183 -1.138 -13.322 1.00 0.00 C ATOM 589 CG ASP A 35 -12.114 0.057 -13.109 1.00 0.00 C ATOM 590 OD1 ASP A 35 -12.668 0.166 -12.028 1.00 0.00 O ATOM 591 OD2 ASP A 35 -12.256 0.843 -14.031 1.00 0.00 O ATOM 0 H ASP A 35 -9.925 0.963 -13.786 1.00 0.00 H new ATOM 0 HA ASP A 35 -9.948 -0.837 -11.584 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -11.051 -1.325 -14.388 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -11.624 -2.038 -12.893 1.00 0.00 H new ATOM 596 N GLN A 36 -8.395 -1.949 -14.288 1.00 0.00 N ATOM 597 CA GLN A 36 -7.426 -2.990 -14.729 1.00 0.00 C ATOM 598 C GLN A 36 -6.233 -3.015 -13.772 1.00 0.00 C ATOM 599 O GLN A 36 -5.744 -4.064 -13.407 1.00 0.00 O ATOM 600 CB GLN A 36 -6.938 -2.669 -16.145 1.00 0.00 C ATOM 601 CG GLN A 36 -6.215 -1.321 -16.144 1.00 0.00 C ATOM 602 CD GLN A 36 -6.055 -0.826 -17.584 1.00 0.00 C ATOM 603 OE1 GLN A 36 -6.922 -1.031 -18.409 1.00 0.00 O ATOM 604 NE2 GLN A 36 -4.974 -0.176 -17.921 1.00 0.00 N ATOM 0 H GLN A 36 -8.665 -1.275 -15.004 1.00 0.00 H new ATOM 0 HA GLN A 36 -7.915 -3.964 -14.726 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -6.267 -3.453 -16.496 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -7.782 -2.640 -16.834 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -6.779 -0.594 -15.559 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -5.238 -1.421 -15.672 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -4.246 -0.004 -17.228 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -4.858 0.160 -18.877 1.00 0.00 H new ATOM 613 N ALA A 37 -5.762 -1.870 -13.363 1.00 0.00 N ATOM 614 CA ALA A 37 -4.600 -1.833 -12.429 1.00 0.00 C ATOM 615 C ALA A 37 -4.893 -2.713 -11.212 1.00 0.00 C ATOM 616 O ALA A 37 -4.290 -3.752 -11.024 1.00 0.00 O ATOM 617 CB ALA A 37 -4.360 -0.394 -11.971 1.00 0.00 C ATOM 0 H ALA A 37 -6.130 -0.958 -13.634 1.00 0.00 H new ATOM 0 HA ALA A 37 -3.712 -2.205 -12.940 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -3.511 -0.366 -11.288 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -4.150 0.233 -12.837 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -5.248 -0.022 -11.461 1.00 0.00 H new ATOM 623 N ILE A 38 -5.816 -2.308 -10.382 1.00 0.00 N ATOM 624 CA ILE A 38 -6.145 -3.123 -9.180 1.00 0.00 C ATOM 625 C ILE A 38 -6.399 -4.570 -9.606 1.00 0.00 C ATOM 626 O ILE A 38 -5.836 -5.497 -9.058 1.00 0.00 O ATOM 627 CB ILE A 38 -7.398 -2.559 -8.505 1.00 0.00 C ATOM 628 CG1 ILE A 38 -7.054 -1.236 -7.816 1.00 0.00 C ATOM 629 CG2 ILE A 38 -7.914 -3.553 -7.462 1.00 0.00 C ATOM 630 CD1 ILE A 38 -8.339 -0.525 -7.384 1.00 0.00 C ATOM 0 H ILE A 38 -6.355 -1.448 -10.485 1.00 0.00 H new ATOM 0 HA ILE A 38 -5.313 -3.090 -8.477 1.00 0.00 H new ATOM 0 HB ILE A 38 -8.168 -2.391 -9.258 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -6.421 -1.422 -6.948 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -6.486 -0.599 -8.494 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -8.806 -3.148 -6.984 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -8.160 -4.497 -7.949 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -7.144 -3.723 -6.709 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -8.087 0.416 -6.894 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -8.956 -0.324 -8.260 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -8.890 -1.159 -6.690 1.00 0.00 H new ATOM 642 N LEU A 39 -7.243 -4.770 -10.581 1.00 0.00 N ATOM 643 CA LEU A 39 -7.531 -6.158 -11.042 1.00 0.00 C ATOM 644 C LEU A 39 -6.211 -6.910 -11.227 1.00 0.00 C ATOM 645 O LEU A 39 -6.092 -8.068 -10.882 1.00 0.00 O ATOM 646 CB LEU A 39 -8.295 -6.105 -12.377 1.00 0.00 C ATOM 647 CG LEU A 39 -9.709 -6.674 -12.203 1.00 0.00 C ATOM 648 CD1 LEU A 39 -10.583 -6.236 -13.379 1.00 0.00 C ATOM 649 CD2 LEU A 39 -9.646 -8.204 -12.163 1.00 0.00 C ATOM 0 H LEU A 39 -7.745 -4.034 -11.078 1.00 0.00 H new ATOM 0 HA LEU A 39 -8.141 -6.675 -10.301 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -8.351 -5.076 -12.732 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -7.757 -6.675 -13.135 1.00 0.00 H new ATOM 0 HG LEU A 39 -10.135 -6.302 -11.271 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -11.588 -6.640 -13.256 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -10.631 -5.148 -13.411 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -10.154 -6.608 -14.309 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -10.651 -8.606 -12.039 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -9.219 -8.575 -13.095 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -9.023 -8.521 -11.327 1.00 0.00 H new ATOM 661 N ASP A 40 -5.222 -6.257 -11.770 1.00 0.00 N ATOM 662 CA ASP A 40 -3.908 -6.929 -11.983 1.00 0.00 C ATOM 663 C ASP A 40 -3.284 -7.276 -10.629 1.00 0.00 C ATOM 664 O ASP A 40 -2.921 -8.409 -10.376 1.00 0.00 O ATOM 665 CB ASP A 40 -2.973 -5.991 -12.749 1.00 0.00 C ATOM 666 CG ASP A 40 -3.668 -5.504 -14.020 1.00 0.00 C ATOM 667 OD1 ASP A 40 -4.349 -6.302 -14.643 1.00 0.00 O ATOM 668 OD2 ASP A 40 -3.509 -4.340 -14.351 1.00 0.00 O ATOM 0 H ASP A 40 -5.266 -5.285 -12.076 1.00 0.00 H new ATOM 0 HA ASP A 40 -4.058 -7.843 -12.558 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -2.700 -5.142 -12.123 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -2.049 -6.510 -13.003 1.00 0.00 H new ATOM 673 N ILE A 41 -3.151 -6.310 -9.758 1.00 0.00 N ATOM 674 CA ILE A 41 -2.547 -6.587 -8.422 1.00 0.00 C ATOM 675 C ILE A 41 -3.121 -7.892 -7.863 1.00 0.00 C ATOM 676 O ILE A 41 -2.481 -8.923 -7.891 1.00 0.00 O ATOM 677 CB ILE A 41 -2.863 -5.433 -7.464 1.00 0.00 C ATOM 678 CG1 ILE A 41 -2.029 -4.209 -7.855 1.00 0.00 C ATOM 679 CG2 ILE A 41 -2.519 -5.844 -6.029 1.00 0.00 C ATOM 680 CD1 ILE A 41 -2.481 -2.992 -7.045 1.00 0.00 C ATOM 0 H ILE A 41 -3.434 -5.343 -9.914 1.00 0.00 H new ATOM 0 HA ILE A 41 -1.466 -6.682 -8.526 1.00 0.00 H new ATOM 0 HB ILE A 41 -3.924 -5.191 -7.526 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -0.972 -4.405 -7.674 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -2.138 -4.009 -8.921 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -2.745 -5.021 -5.351 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -3.109 -6.717 -5.749 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -1.458 -6.087 -5.964 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -1.884 -2.125 -7.328 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -3.533 -2.790 -7.248 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -2.348 -3.193 -5.982 1.00 0.00 H new ATOM 692 N ILE A 42 -4.326 -7.854 -7.359 1.00 0.00 N ATOM 693 CA ILE A 42 -4.948 -9.090 -6.799 1.00 0.00 C ATOM 694 C ILE A 42 -4.605 -10.290 -7.687 1.00 0.00 C ATOM 695 O ILE A 42 -4.349 -11.376 -7.208 1.00 0.00 O ATOM 696 CB ILE A 42 -6.467 -8.914 -6.741 1.00 0.00 C ATOM 697 CG1 ILE A 42 -7.112 -10.204 -6.231 1.00 0.00 C ATOM 698 CG2 ILE A 42 -6.998 -8.597 -8.141 1.00 0.00 C ATOM 699 CD1 ILE A 42 -8.598 -9.961 -5.959 1.00 0.00 C ATOM 0 H ILE A 42 -4.908 -7.018 -7.311 1.00 0.00 H new ATOM 0 HA ILE A 42 -4.562 -9.265 -5.795 1.00 0.00 H new ATOM 0 HB ILE A 42 -6.711 -8.094 -6.065 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -6.992 -10.999 -6.967 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -6.614 -10.536 -5.320 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -8.080 -8.472 -8.100 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -6.540 -7.677 -8.504 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -6.753 -9.416 -8.817 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -9.057 -10.881 -5.596 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -8.707 -9.179 -5.207 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -9.090 -9.649 -6.880 1.00 0.00 H new ATOM 711 N ARG A 43 -4.602 -10.102 -8.978 1.00 0.00 N ATOM 712 CA ARG A 43 -4.280 -11.234 -9.896 1.00 0.00 C ATOM 713 C ARG A 43 -2.932 -11.851 -9.505 1.00 0.00 C ATOM 714 O ARG A 43 -2.803 -13.054 -9.390 1.00 0.00 O ATOM 715 CB ARG A 43 -4.211 -10.715 -11.342 1.00 0.00 C ATOM 716 CG ARG A 43 -4.920 -11.691 -12.289 1.00 0.00 C ATOM 717 CD ARG A 43 -4.125 -12.994 -12.371 1.00 0.00 C ATOM 718 NE ARG A 43 -2.809 -12.732 -13.020 1.00 0.00 N ATOM 719 CZ ARG A 43 -1.949 -13.701 -13.166 1.00 0.00 C ATOM 720 NH1 ARG A 43 -2.239 -14.900 -12.741 1.00 0.00 N ATOM 721 NH2 ARG A 43 -0.799 -13.472 -13.738 1.00 0.00 N ATOM 0 H ARG A 43 -4.808 -9.215 -9.438 1.00 0.00 H new ATOM 0 HA ARG A 43 -5.057 -11.995 -9.819 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -4.677 -9.732 -11.406 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -3.171 -10.595 -11.644 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -5.930 -11.891 -11.932 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -5.015 -11.248 -13.280 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -3.975 -13.405 -11.373 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -4.682 -13.737 -12.941 1.00 0.00 H new ATOM 0 HE ARG A 43 -2.581 -11.794 -13.350 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -3.138 -15.079 -12.295 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -1.566 -15.658 -12.855 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -0.573 -12.535 -14.071 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -0.126 -14.230 -13.852 1.00 0.00 H new ATOM 735 N TYR A 44 -1.924 -11.044 -9.307 1.00 0.00 N ATOM 736 CA TYR A 44 -0.591 -11.601 -8.936 1.00 0.00 C ATOM 737 C TYR A 44 -0.566 -11.923 -7.442 1.00 0.00 C ATOM 738 O TYR A 44 -0.054 -12.943 -7.024 1.00 0.00 O ATOM 739 CB TYR A 44 0.500 -10.576 -9.256 1.00 0.00 C ATOM 740 CG TYR A 44 0.186 -9.891 -10.567 1.00 0.00 C ATOM 741 CD1 TYR A 44 -0.143 -10.652 -11.696 1.00 0.00 C ATOM 742 CD2 TYR A 44 0.229 -8.494 -10.654 1.00 0.00 C ATOM 743 CE1 TYR A 44 -0.431 -10.017 -12.910 1.00 0.00 C ATOM 744 CE2 TYR A 44 -0.059 -7.859 -11.868 1.00 0.00 C ATOM 745 CZ TYR A 44 -0.389 -8.620 -12.995 1.00 0.00 C ATOM 746 OH TYR A 44 -0.671 -7.994 -14.192 1.00 0.00 O ATOM 0 H TYR A 44 -1.965 -10.028 -9.386 1.00 0.00 H new ATOM 0 HA TYR A 44 -0.411 -12.513 -9.505 1.00 0.00 H new ATOM 0 HB2 TYR A 44 0.566 -9.839 -8.456 1.00 0.00 H new ATOM 0 HB3 TYR A 44 1.470 -11.069 -9.315 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -0.175 -11.730 -11.630 1.00 0.00 H new ATOM 0 HD2 TYR A 44 0.484 -7.906 -9.785 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -0.685 -10.604 -13.780 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -0.026 -6.782 -11.935 1.00 0.00 H new ATOM 0 HH TYR A 44 -1.306 -8.538 -14.704 1.00 0.00 H new ATOM 756 N TYR A 45 -1.108 -11.059 -6.633 1.00 0.00 N ATOM 757 CA TYR A 45 -1.108 -11.308 -5.166 1.00 0.00 C ATOM 758 C TYR A 45 -2.095 -12.426 -4.829 1.00 0.00 C ATOM 759 O TYR A 45 -1.752 -13.391 -4.176 1.00 0.00 O ATOM 760 CB TYR A 45 -1.519 -10.029 -4.438 1.00 0.00 C ATOM 761 CG TYR A 45 -0.393 -9.028 -4.518 1.00 0.00 C ATOM 762 CD1 TYR A 45 -0.054 -8.456 -5.749 1.00 0.00 C ATOM 763 CD2 TYR A 45 0.316 -8.677 -3.365 1.00 0.00 C ATOM 764 CE1 TYR A 45 0.992 -7.532 -5.828 1.00 0.00 C ATOM 765 CE2 TYR A 45 1.363 -7.755 -3.442 1.00 0.00 C ATOM 766 CZ TYR A 45 1.702 -7.181 -4.673 1.00 0.00 C ATOM 767 OH TYR A 45 2.737 -6.272 -4.748 1.00 0.00 O ATOM 0 H TYR A 45 -1.552 -10.189 -6.925 1.00 0.00 H new ATOM 0 HA TYR A 45 -0.108 -11.607 -4.850 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -2.422 -9.615 -4.887 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -1.753 -10.249 -3.396 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -0.601 -8.729 -6.639 1.00 0.00 H new ATOM 0 HD2 TYR A 45 0.054 -9.119 -2.415 1.00 0.00 H new ATOM 0 HE1 TYR A 45 1.252 -7.090 -6.778 1.00 0.00 H new ATOM 0 HE2 TYR A 45 1.911 -7.485 -2.551 1.00 0.00 H new ATOM 0 HH TYR A 45 3.122 -6.140 -3.856 1.00 0.00 H new ATOM 777 N THR A 46 -3.318 -12.303 -5.263 1.00 0.00 N ATOM 778 CA THR A 46 -4.321 -13.358 -4.959 1.00 0.00 C ATOM 779 C THR A 46 -4.310 -13.643 -3.456 1.00 0.00 C ATOM 780 O THR A 46 -4.910 -14.591 -2.989 1.00 0.00 O ATOM 781 CB THR A 46 -3.967 -14.633 -5.735 1.00 0.00 C ATOM 782 OG1 THR A 46 -3.328 -14.278 -6.953 1.00 0.00 O ATOM 783 CG2 THR A 46 -5.242 -15.421 -6.038 1.00 0.00 C ATOM 0 H THR A 46 -3.665 -11.518 -5.814 1.00 0.00 H new ATOM 0 HA THR A 46 -5.315 -13.023 -5.255 1.00 0.00 H new ATOM 0 HB THR A 46 -3.297 -15.250 -5.136 1.00 0.00 H new ATOM 0 HG1 THR A 46 -3.806 -13.530 -7.367 1.00 0.00 H new ATOM 0 HG21 THR A 46 -4.988 -16.326 -6.589 1.00 0.00 H new ATOM 0 HG22 THR A 46 -5.733 -15.691 -5.103 1.00 0.00 H new ATOM 0 HG23 THR A 46 -5.915 -14.808 -6.638 1.00 0.00 H new ATOM 791 N ARG A 47 -3.631 -12.828 -2.695 1.00 0.00 N ATOM 792 CA ARG A 47 -3.582 -13.049 -1.224 1.00 0.00 C ATOM 793 C ARG A 47 -4.869 -12.518 -0.591 1.00 0.00 C ATOM 794 O ARG A 47 -5.187 -11.350 -0.689 1.00 0.00 O ATOM 795 CB ARG A 47 -2.365 -12.319 -0.636 1.00 0.00 C ATOM 796 CG ARG A 47 -2.496 -10.801 -0.854 1.00 0.00 C ATOM 797 CD ARG A 47 -2.986 -10.121 0.432 1.00 0.00 C ATOM 798 NE ARG A 47 -1.820 -9.833 1.313 1.00 0.00 N ATOM 799 CZ ARG A 47 -0.974 -8.895 0.987 1.00 0.00 C ATOM 800 NH1 ARG A 47 -1.151 -8.207 -0.108 1.00 0.00 N ATOM 801 NH2 ARG A 47 0.050 -8.644 1.756 1.00 0.00 N ATOM 0 H ARG A 47 -3.108 -12.019 -3.030 1.00 0.00 H new ATOM 0 HA ARG A 47 -3.492 -14.115 -1.014 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -2.283 -12.535 0.429 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -1.452 -12.683 -1.106 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -1.533 -10.384 -1.150 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -3.193 -10.602 -1.668 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -3.511 -9.197 0.191 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -3.697 -10.765 0.949 1.00 0.00 H new ATOM 0 HE ARG A 47 -1.683 -10.369 2.170 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -1.951 -8.403 -0.709 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -0.489 -7.474 -0.362 1.00 0.00 H new ATOM 0 HH21 ARG A 47 0.189 -9.181 2.612 1.00 0.00 H new ATOM 0 HH22 ARG A 47 0.712 -7.911 1.501 1.00 0.00 H new ATOM 815 N GLU A 48 -5.622 -13.373 0.048 1.00 0.00 N ATOM 816 CA GLU A 48 -6.896 -12.923 0.680 1.00 0.00 C ATOM 817 C GLU A 48 -6.637 -12.539 2.139 1.00 0.00 C ATOM 818 O GLU A 48 -6.190 -11.448 2.432 1.00 0.00 O ATOM 819 CB GLU A 48 -7.923 -14.061 0.619 1.00 0.00 C ATOM 820 CG GLU A 48 -7.203 -15.408 0.714 1.00 0.00 C ATOM 821 CD GLU A 48 -8.236 -16.533 0.829 1.00 0.00 C ATOM 822 OE1 GLU A 48 -8.824 -16.663 1.890 1.00 0.00 O ATOM 823 OE2 GLU A 48 -8.419 -17.243 -0.144 1.00 0.00 O ATOM 0 H GLU A 48 -5.410 -14.364 0.160 1.00 0.00 H new ATOM 0 HA GLU A 48 -7.283 -12.056 0.144 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -8.639 -13.962 1.434 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -8.489 -14.004 -0.311 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -6.579 -15.562 -0.166 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -6.541 -15.418 1.580 1.00 0.00 H new ATOM 830 N ALA A 49 -6.917 -13.425 3.055 1.00 0.00 N ATOM 831 CA ALA A 49 -6.689 -13.105 4.492 1.00 0.00 C ATOM 832 C ALA A 49 -7.521 -11.880 4.876 1.00 0.00 C ATOM 833 O ALA A 49 -6.993 -10.826 5.174 1.00 0.00 O ATOM 834 CB ALA A 49 -5.204 -12.811 4.722 1.00 0.00 C ATOM 0 H ALA A 49 -7.293 -14.355 2.871 1.00 0.00 H new ATOM 0 HA ALA A 49 -6.987 -13.954 5.107 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -5.038 -12.577 5.774 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -4.613 -13.685 4.447 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -4.902 -11.962 4.109 1.00 0.00 H new ATOM 840 N GLY A 50 -8.820 -12.008 4.870 1.00 0.00 N ATOM 841 CA GLY A 50 -9.685 -10.850 5.232 1.00 0.00 C ATOM 842 C GLY A 50 -9.610 -9.794 4.130 1.00 0.00 C ATOM 843 O GLY A 50 -8.545 -9.328 3.775 1.00 0.00 O ATOM 0 H GLY A 50 -9.319 -12.864 4.630 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -10.715 -11.180 5.365 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -9.362 -10.424 6.182 1.00 0.00 H new ATOM 847 N VAL A 51 -10.732 -9.412 3.582 1.00 0.00 N ATOM 848 CA VAL A 51 -10.719 -8.386 2.501 1.00 0.00 C ATOM 849 C VAL A 51 -9.982 -7.138 2.989 1.00 0.00 C ATOM 850 O VAL A 51 -9.233 -6.522 2.258 1.00 0.00 O ATOM 851 CB VAL A 51 -12.155 -8.014 2.129 1.00 0.00 C ATOM 852 CG1 VAL A 51 -12.892 -9.259 1.630 1.00 0.00 C ATOM 853 CG2 VAL A 51 -12.871 -7.456 3.359 1.00 0.00 C ATOM 0 H VAL A 51 -11.655 -9.765 3.836 1.00 0.00 H new ATOM 0 HA VAL A 51 -10.210 -8.791 1.626 1.00 0.00 H new ATOM 0 HB VAL A 51 -12.143 -7.260 1.342 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -13.916 -8.994 1.365 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -12.381 -9.657 0.753 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -12.905 -10.014 2.416 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -13.895 -7.191 3.095 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -12.883 -8.210 4.146 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -12.346 -6.569 3.714 1.00 0.00 H new ATOM 863 N ARG A 52 -10.189 -6.760 4.222 1.00 0.00 N ATOM 864 CA ARG A 52 -9.500 -5.550 4.757 1.00 0.00 C ATOM 865 C ARG A 52 -8.024 -5.589 4.352 1.00 0.00 C ATOM 866 O ARG A 52 -7.441 -4.583 4.000 1.00 0.00 O ATOM 867 CB ARG A 52 -9.617 -5.530 6.288 1.00 0.00 C ATOM 868 CG ARG A 52 -10.893 -4.784 6.701 1.00 0.00 C ATOM 869 CD ARG A 52 -10.626 -3.276 6.740 1.00 0.00 C ATOM 870 NE ARG A 52 -11.898 -2.540 6.489 1.00 0.00 N ATOM 871 CZ ARG A 52 -12.746 -2.347 7.464 1.00 0.00 C ATOM 872 NH1 ARG A 52 -12.480 -2.799 8.659 1.00 0.00 N ATOM 873 NH2 ARG A 52 -13.858 -1.704 7.242 1.00 0.00 N ATOM 0 H ARG A 52 -10.805 -7.236 4.881 1.00 0.00 H new ATOM 0 HA ARG A 52 -9.964 -4.652 4.349 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -9.639 -6.549 6.674 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -8.744 -5.044 6.723 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -11.696 -5.002 5.997 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -11.225 -5.129 7.680 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -10.215 -2.993 7.709 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -9.884 -3.008 5.988 1.00 0.00 H new ATOM 0 HE ARG A 52 -12.106 -2.187 5.555 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -11.610 -3.303 8.832 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -13.142 -2.648 9.420 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -14.066 -1.352 6.308 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -14.520 -1.553 8.003 1.00 0.00 H new ATOM 887 N SER A 53 -7.418 -6.743 4.395 1.00 0.00 N ATOM 888 CA SER A 53 -5.983 -6.842 4.007 1.00 0.00 C ATOM 889 C SER A 53 -5.823 -6.409 2.553 1.00 0.00 C ATOM 890 O SER A 53 -5.050 -5.527 2.238 1.00 0.00 O ATOM 891 CB SER A 53 -5.508 -8.284 4.159 1.00 0.00 C ATOM 892 OG SER A 53 -5.827 -8.750 5.464 1.00 0.00 O ATOM 0 H SER A 53 -7.853 -7.620 4.681 1.00 0.00 H new ATOM 0 HA SER A 53 -5.388 -6.195 4.652 1.00 0.00 H new ATOM 0 HB2 SER A 53 -5.983 -8.916 3.409 1.00 0.00 H new ATOM 0 HB3 SER A 53 -4.433 -8.344 3.992 1.00 0.00 H new ATOM 0 HG SER A 53 -5.900 -9.727 5.454 1.00 0.00 H new ATOM 898 N LEU A 54 -6.552 -7.018 1.661 1.00 0.00 N ATOM 899 CA LEU A 54 -6.441 -6.629 0.228 1.00 0.00 C ATOM 900 C LEU A 54 -6.555 -5.109 0.128 1.00 0.00 C ATOM 901 O LEU A 54 -5.698 -4.444 -0.421 1.00 0.00 O ATOM 902 CB LEU A 54 -7.570 -7.286 -0.573 1.00 0.00 C ATOM 903 CG LEU A 54 -7.241 -7.235 -2.073 1.00 0.00 C ATOM 904 CD1 LEU A 54 -6.366 -8.433 -2.456 1.00 0.00 C ATOM 905 CD2 LEU A 54 -8.540 -7.278 -2.882 1.00 0.00 C ATOM 0 H LEU A 54 -7.217 -7.765 1.861 1.00 0.00 H new ATOM 0 HA LEU A 54 -5.484 -6.959 -0.176 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -7.700 -8.320 -0.255 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -8.512 -6.772 -0.380 1.00 0.00 H new ATOM 0 HG LEU A 54 -6.703 -6.312 -2.290 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -6.137 -8.390 -3.521 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -5.439 -8.404 -1.884 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -6.899 -9.358 -2.236 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -8.307 -7.242 -3.946 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -9.077 -8.200 -2.659 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -9.162 -6.423 -2.617 1.00 0.00 H new ATOM 917 N GLU A 55 -7.601 -4.553 0.672 1.00 0.00 N ATOM 918 CA GLU A 55 -7.768 -3.076 0.628 1.00 0.00 C ATOM 919 C GLU A 55 -6.498 -2.417 1.167 1.00 0.00 C ATOM 920 O GLU A 55 -6.045 -1.411 0.658 1.00 0.00 O ATOM 921 CB GLU A 55 -8.964 -2.669 1.491 1.00 0.00 C ATOM 922 CG GLU A 55 -10.195 -3.474 1.070 1.00 0.00 C ATOM 923 CD GLU A 55 -11.453 -2.827 1.651 1.00 0.00 C ATOM 924 OE1 GLU A 55 -11.786 -1.734 1.222 1.00 0.00 O ATOM 925 OE2 GLU A 55 -12.064 -3.435 2.515 1.00 0.00 O ATOM 0 H GLU A 55 -8.349 -5.060 1.146 1.00 0.00 H new ATOM 0 HA GLU A 55 -7.943 -2.755 -0.399 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -8.743 -2.846 2.544 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -9.159 -1.602 1.381 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -10.263 -3.513 -0.017 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -10.107 -4.502 1.421 1.00 0.00 H new ATOM 932 N ARG A 56 -5.916 -2.978 2.193 1.00 0.00 N ATOM 933 CA ARG A 56 -4.673 -2.380 2.758 1.00 0.00 C ATOM 934 C ARG A 56 -3.576 -2.397 1.692 1.00 0.00 C ATOM 935 O ARG A 56 -2.808 -1.466 1.565 1.00 0.00 O ATOM 936 CB ARG A 56 -4.219 -3.191 3.976 1.00 0.00 C ATOM 937 CG ARG A 56 -3.096 -2.444 4.699 1.00 0.00 C ATOM 938 CD ARG A 56 -2.871 -3.070 6.078 1.00 0.00 C ATOM 939 NE ARG A 56 -3.114 -4.539 6.000 1.00 0.00 N ATOM 940 CZ ARG A 56 -2.577 -5.338 6.882 1.00 0.00 C ATOM 941 NH1 ARG A 56 -1.827 -4.853 7.833 1.00 0.00 N ATOM 942 NH2 ARG A 56 -2.791 -6.623 6.812 1.00 0.00 N ATOM 0 H ARG A 56 -6.246 -3.821 2.662 1.00 0.00 H new ATOM 0 HA ARG A 56 -4.869 -1.353 3.065 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -5.058 -3.351 4.653 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -3.872 -4.175 3.662 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -2.178 -2.490 4.113 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -3.355 -1.390 4.804 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -1.853 -2.876 6.416 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -3.541 -2.618 6.809 1.00 0.00 H new ATOM 0 HE ARG A 56 -3.700 -4.920 5.257 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -1.659 -3.848 7.888 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -1.408 -5.478 8.521 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -3.377 -7.003 6.069 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -2.372 -7.248 7.501 1.00 0.00 H new ATOM 956 N GLN A 57 -3.496 -3.451 0.926 1.00 0.00 N ATOM 957 CA GLN A 57 -2.448 -3.526 -0.132 1.00 0.00 C ATOM 958 C GLN A 57 -2.683 -2.420 -1.164 1.00 0.00 C ATOM 959 O GLN A 57 -1.764 -1.742 -1.581 1.00 0.00 O ATOM 960 CB GLN A 57 -2.518 -4.891 -0.820 1.00 0.00 C ATOM 961 CG GLN A 57 -1.237 -5.127 -1.623 1.00 0.00 C ATOM 962 CD GLN A 57 -0.074 -5.398 -0.666 1.00 0.00 C ATOM 963 OE1 GLN A 57 1.056 -5.540 -1.090 1.00 0.00 O ATOM 964 NE2 GLN A 57 -0.304 -5.477 0.616 1.00 0.00 N ATOM 0 H GLN A 57 -4.110 -4.263 0.987 1.00 0.00 H new ATOM 0 HA GLN A 57 -1.464 -3.396 0.320 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -2.644 -5.678 -0.077 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -3.385 -4.933 -1.479 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -1.370 -5.972 -2.299 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -1.017 -4.256 -2.241 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -1.252 -5.358 0.972 1.00 0.00 H new ATOM 0 HE22 GLN A 57 0.465 -5.658 1.262 1.00 0.00 H new ATOM 973 N LEU A 58 -3.907 -2.229 -1.578 1.00 0.00 N ATOM 974 CA LEU A 58 -4.197 -1.162 -2.581 1.00 0.00 C ATOM 975 C LEU A 58 -3.974 0.203 -1.932 1.00 0.00 C ATOM 976 O LEU A 58 -3.435 1.108 -2.533 1.00 0.00 O ATOM 977 CB LEU A 58 -5.646 -1.279 -3.058 1.00 0.00 C ATOM 978 CG LEU A 58 -5.978 -2.748 -3.323 1.00 0.00 C ATOM 979 CD1 LEU A 58 -7.431 -2.872 -3.786 1.00 0.00 C ATOM 980 CD2 LEU A 58 -5.050 -3.292 -4.414 1.00 0.00 C ATOM 0 H LEU A 58 -4.717 -2.764 -1.266 1.00 0.00 H new ATOM 0 HA LEU A 58 -3.534 -1.274 -3.439 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -6.322 -0.872 -2.306 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -5.790 -0.693 -3.966 1.00 0.00 H new ATOM 0 HG LEU A 58 -5.840 -3.320 -2.405 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -7.665 -3.920 -3.974 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -8.094 -2.486 -3.012 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -7.571 -2.299 -4.703 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -5.286 -4.339 -4.604 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -5.189 -2.717 -5.330 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -4.014 -3.207 -4.086 1.00 0.00 H new ATOM 992 N ALA A 59 -4.369 0.353 -0.703 1.00 0.00 N ATOM 993 CA ALA A 59 -4.156 1.652 -0.014 1.00 0.00 C ATOM 994 C ALA A 59 -2.651 1.893 0.092 1.00 0.00 C ATOM 995 O ALA A 59 -2.172 3.002 -0.039 1.00 0.00 O ATOM 996 CB ALA A 59 -4.768 1.596 1.388 1.00 0.00 C ATOM 0 H ALA A 59 -4.830 -0.366 -0.146 1.00 0.00 H new ATOM 0 HA ALA A 59 -4.630 2.459 -0.573 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -4.611 2.550 1.892 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -5.837 1.398 1.311 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -4.292 0.800 1.961 1.00 0.00 H new ATOM 1002 N ALA A 60 -1.906 0.848 0.336 1.00 0.00 N ATOM 1003 CA ALA A 60 -0.426 0.984 0.465 1.00 0.00 C ATOM 1004 C ALA A 60 0.184 1.483 -0.849 1.00 0.00 C ATOM 1005 O ALA A 60 0.883 2.475 -0.875 1.00 0.00 O ATOM 1006 CB ALA A 60 0.176 -0.377 0.820 1.00 0.00 C ATOM 0 H ALA A 60 -2.262 -0.101 0.452 1.00 0.00 H new ATOM 0 HA ALA A 60 -0.205 1.707 1.250 1.00 0.00 H new ATOM 0 HB1 ALA A 60 1.258 -0.283 0.915 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -0.243 -0.725 1.764 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -0.058 -1.095 0.033 1.00 0.00 H new ATOM 1012 N ILE A 61 -0.057 0.804 -1.939 1.00 0.00 N ATOM 1013 CA ILE A 61 0.533 1.255 -3.234 1.00 0.00 C ATOM 1014 C ILE A 61 0.008 2.653 -3.580 1.00 0.00 C ATOM 1015 O ILE A 61 0.742 3.508 -4.040 1.00 0.00 O ATOM 1016 CB ILE A 61 0.164 0.263 -4.348 1.00 0.00 C ATOM 1017 CG1 ILE A 61 1.145 0.422 -5.516 1.00 0.00 C ATOM 1018 CG2 ILE A 61 -1.260 0.531 -4.840 1.00 0.00 C ATOM 1019 CD1 ILE A 61 0.615 -0.331 -6.743 1.00 0.00 C ATOM 0 H ILE A 61 -0.632 -0.037 -1.990 1.00 0.00 H new ATOM 0 HA ILE A 61 1.618 1.295 -3.142 1.00 0.00 H new ATOM 0 HB ILE A 61 0.220 -0.752 -3.955 1.00 0.00 H new ATOM 0 HG12 ILE A 61 1.275 1.478 -5.753 1.00 0.00 H new ATOM 0 HG13 ILE A 61 2.125 0.036 -5.236 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -1.512 -0.177 -5.629 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -1.959 0.415 -4.012 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -1.325 1.547 -5.230 1.00 0.00 H new ATOM 0 HD11 ILE A 61 1.315 -0.216 -7.571 1.00 0.00 H new ATOM 0 HD12 ILE A 61 0.508 -1.389 -6.503 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -0.355 0.076 -7.029 1.00 0.00 H new ATOM 1031 N CYS A 62 -1.256 2.891 -3.363 1.00 0.00 N ATOM 1032 CA CYS A 62 -1.831 4.229 -3.682 1.00 0.00 C ATOM 1033 C CYS A 62 -1.065 5.322 -2.932 1.00 0.00 C ATOM 1034 O CYS A 62 -0.348 6.106 -3.521 1.00 0.00 O ATOM 1035 CB CYS A 62 -3.303 4.262 -3.267 1.00 0.00 C ATOM 1036 SG CYS A 62 -4.285 3.311 -4.452 1.00 0.00 S ATOM 0 H CYS A 62 -1.917 2.216 -2.978 1.00 0.00 H new ATOM 0 HA CYS A 62 -1.747 4.407 -4.754 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -3.419 3.847 -2.266 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -3.658 5.292 -3.228 1.00 0.00 H new ATOM 0 HG CYS A 62 -5.156 2.588 -3.813 1.00 0.00 H new ATOM 1042 N ARG A 63 -1.214 5.391 -1.637 1.00 0.00 N ATOM 1043 CA ARG A 63 -0.494 6.447 -0.872 1.00 0.00 C ATOM 1044 C ARG A 63 1.004 6.342 -1.138 1.00 0.00 C ATOM 1045 O ARG A 63 1.661 7.330 -1.393 1.00 0.00 O ATOM 1046 CB ARG A 63 -0.761 6.284 0.619 1.00 0.00 C ATOM 1047 CG ARG A 63 -0.096 5.002 1.128 1.00 0.00 C ATOM 1048 CD ARG A 63 -0.711 4.597 2.469 1.00 0.00 C ATOM 1049 NE ARG A 63 -0.334 5.593 3.511 1.00 0.00 N ATOM 1050 CZ ARG A 63 -0.432 5.284 4.775 1.00 0.00 C ATOM 1051 NH1 ARG A 63 -0.863 4.103 5.125 1.00 0.00 N ATOM 1052 NH2 ARG A 63 -0.098 6.154 5.688 1.00 0.00 N ATOM 0 H ARG A 63 -1.798 4.767 -1.080 1.00 0.00 H new ATOM 0 HA ARG A 63 -0.852 7.425 -1.193 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -0.375 7.146 1.163 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -1.835 6.246 0.803 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -0.226 4.200 0.401 1.00 0.00 H new ATOM 0 HG3 ARG A 63 0.977 5.158 1.242 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -1.796 4.540 2.381 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -0.362 3.605 2.756 1.00 0.00 H new ATOM 0 HE ARG A 63 0.001 6.517 3.236 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -1.123 3.423 4.411 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -0.940 3.860 6.113 1.00 0.00 H new ATOM 0 HH21 ARG A 63 0.240 7.077 5.414 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -0.175 5.912 6.676 1.00 0.00 H new ATOM 1066 N LYS A 64 1.554 5.154 -1.095 1.00 0.00 N ATOM 1067 CA LYS A 64 3.011 5.013 -1.370 1.00 0.00 C ATOM 1068 C LYS A 64 3.334 5.886 -2.577 1.00 0.00 C ATOM 1069 O LYS A 64 4.344 6.559 -2.630 1.00 0.00 O ATOM 1070 CB LYS A 64 3.347 3.552 -1.680 1.00 0.00 C ATOM 1071 CG LYS A 64 4.805 3.448 -2.152 1.00 0.00 C ATOM 1072 CD LYS A 64 5.401 2.107 -1.711 1.00 0.00 C ATOM 1073 CE LYS A 64 4.617 0.963 -2.355 1.00 0.00 C ATOM 1074 NZ LYS A 64 5.256 -0.336 -1.999 1.00 0.00 N ATOM 0 H LYS A 64 1.061 4.286 -0.884 1.00 0.00 H new ATOM 0 HA LYS A 64 3.596 5.320 -0.503 1.00 0.00 H new ATOM 0 HB2 LYS A 64 3.197 2.937 -0.792 1.00 0.00 H new ATOM 0 HB3 LYS A 64 2.677 3.169 -2.450 1.00 0.00 H new ATOM 0 HG2 LYS A 64 4.852 3.538 -3.237 1.00 0.00 H new ATOM 0 HG3 LYS A 64 5.390 4.270 -1.738 1.00 0.00 H new ATOM 0 HD2 LYS A 64 6.450 2.051 -2.000 1.00 0.00 H new ATOM 0 HD3 LYS A 64 5.365 2.021 -0.625 1.00 0.00 H new ATOM 0 HE2 LYS A 64 3.582 0.978 -2.012 1.00 0.00 H new ATOM 0 HE3 LYS A 64 4.596 1.086 -3.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 4.724 -1.116 -2.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 6.236 -0.348 -2.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 5.254 -0.452 -0.966 1.00 0.00 H new ATOM 1088 N ALA A 65 2.448 5.899 -3.533 1.00 0.00 N ATOM 1089 CA ALA A 65 2.652 6.750 -4.732 1.00 0.00 C ATOM 1090 C ALA A 65 2.454 8.211 -4.327 1.00 0.00 C ATOM 1091 O ALA A 65 3.157 9.091 -4.781 1.00 0.00 O ATOM 1092 CB ALA A 65 1.634 6.373 -5.812 1.00 0.00 C ATOM 0 H ALA A 65 1.587 5.352 -3.533 1.00 0.00 H new ATOM 0 HA ALA A 65 3.657 6.603 -5.128 1.00 0.00 H new ATOM 0 HB1 ALA A 65 1.787 7.000 -6.691 1.00 0.00 H new ATOM 0 HB2 ALA A 65 1.765 5.326 -6.086 1.00 0.00 H new ATOM 0 HB3 ALA A 65 0.625 6.524 -5.429 1.00 0.00 H new ATOM 1098 N ALA A 66 1.501 8.478 -3.467 1.00 0.00 N ATOM 1099 CA ALA A 66 1.267 9.884 -3.035 1.00 0.00 C ATOM 1100 C ALA A 66 2.557 10.452 -2.437 1.00 0.00 C ATOM 1101 O ALA A 66 2.929 11.580 -2.696 1.00 0.00 O ATOM 1102 CB ALA A 66 0.157 9.918 -1.982 1.00 0.00 C ATOM 0 H ALA A 66 0.880 7.785 -3.050 1.00 0.00 H new ATOM 0 HA ALA A 66 0.968 10.484 -3.894 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -0.014 10.947 -1.666 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -0.761 9.512 -2.408 1.00 0.00 H new ATOM 0 HB3 ALA A 66 0.454 9.319 -1.121 1.00 0.00 H new ATOM 1108 N LYS A 67 3.242 9.679 -1.640 1.00 0.00 N ATOM 1109 CA LYS A 67 4.508 10.171 -1.026 1.00 0.00 C ATOM 1110 C LYS A 67 5.588 10.279 -2.102 1.00 0.00 C ATOM 1111 O LYS A 67 6.373 11.206 -2.121 1.00 0.00 O ATOM 1112 CB LYS A 67 4.965 9.192 0.058 1.00 0.00 C ATOM 1113 CG LYS A 67 3.939 9.168 1.192 1.00 0.00 C ATOM 1114 CD LYS A 67 4.173 7.934 2.068 1.00 0.00 C ATOM 1115 CE LYS A 67 3.074 7.844 3.127 1.00 0.00 C ATOM 1116 NZ LYS A 67 3.223 8.967 4.096 1.00 0.00 N ATOM 0 H LYS A 67 2.979 8.726 -1.387 1.00 0.00 H new ATOM 0 HA LYS A 67 4.338 11.152 -0.581 1.00 0.00 H new ATOM 0 HB2 LYS A 67 5.079 8.194 -0.364 1.00 0.00 H new ATOM 0 HB3 LYS A 67 5.941 9.489 0.443 1.00 0.00 H new ATOM 0 HG2 LYS A 67 4.023 10.074 1.792 1.00 0.00 H new ATOM 0 HG3 LYS A 67 2.929 9.150 0.782 1.00 0.00 H new ATOM 0 HD2 LYS A 67 4.175 7.034 1.453 1.00 0.00 H new ATOM 0 HD3 LYS A 67 5.150 7.995 2.547 1.00 0.00 H new ATOM 0 HE2 LYS A 67 2.093 7.887 2.653 1.00 0.00 H new ATOM 0 HE3 LYS A 67 3.135 6.889 3.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 2.640 8.780 4.936 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 4.220 9.052 4.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 2.913 9.854 3.650 1.00 0.00 H new ATOM 1130 N ALA A 68 5.632 9.335 -2.999 1.00 0.00 N ATOM 1131 CA ALA A 68 6.658 9.374 -4.078 1.00 0.00 C ATOM 1132 C ALA A 68 6.285 10.460 -5.086 1.00 0.00 C ATOM 1133 O ALA A 68 6.749 10.467 -6.209 1.00 0.00 O ATOM 1134 CB ALA A 68 6.713 8.018 -4.783 1.00 0.00 C ATOM 0 H ALA A 68 5.000 8.535 -3.032 1.00 0.00 H new ATOM 0 HA ALA A 68 7.635 9.594 -3.647 1.00 0.00 H new ATOM 0 HB1 ALA A 68 7.464 8.048 -5.572 1.00 0.00 H new ATOM 0 HB2 ALA A 68 6.975 7.244 -4.062 1.00 0.00 H new ATOM 0 HB3 ALA A 68 5.739 7.794 -5.218 1.00 0.00 H new ATOM 1140 N ILE A 69 5.443 11.376 -4.689 1.00 0.00 N ATOM 1141 CA ILE A 69 5.027 12.471 -5.613 1.00 0.00 C ATOM 1142 C ILE A 69 6.237 12.972 -6.406 1.00 0.00 C ATOM 1143 O ILE A 69 6.102 13.547 -7.467 1.00 0.00 O ATOM 1144 CB ILE A 69 4.438 13.625 -4.801 1.00 0.00 C ATOM 1145 CG1 ILE A 69 4.035 14.765 -5.751 1.00 0.00 C ATOM 1146 CG2 ILE A 69 5.483 14.128 -3.801 1.00 0.00 C ATOM 1147 CD1 ILE A 69 2.711 15.374 -5.290 1.00 0.00 C ATOM 0 H ILE A 69 5.023 11.413 -3.760 1.00 0.00 H new ATOM 0 HA ILE A 69 4.277 12.090 -6.306 1.00 0.00 H new ATOM 0 HB ILE A 69 3.557 13.280 -4.259 1.00 0.00 H new ATOM 0 HG12 ILE A 69 4.812 15.529 -5.768 1.00 0.00 H new ATOM 0 HG13 ILE A 69 3.938 14.387 -6.769 1.00 0.00 H new ATOM 0 HG21 ILE A 69 5.065 14.951 -3.221 1.00 0.00 H new ATOM 0 HG22 ILE A 69 5.764 13.317 -3.129 1.00 0.00 H new ATOM 0 HG23 ILE A 69 6.365 14.475 -4.340 1.00 0.00 H new ATOM 0 HD11 ILE A 69 2.428 16.182 -5.965 1.00 0.00 H new ATOM 0 HD12 ILE A 69 1.936 14.607 -5.296 1.00 0.00 H new ATOM 0 HD13 ILE A 69 2.824 15.768 -4.280 1.00 0.00 H new ATOM 1159 N VAL A 70 7.422 12.756 -5.900 1.00 0.00 N ATOM 1160 CA VAL A 70 8.636 13.218 -6.629 1.00 0.00 C ATOM 1161 C VAL A 70 8.751 12.459 -7.953 1.00 0.00 C ATOM 1162 O VAL A 70 9.712 12.605 -8.682 1.00 0.00 O ATOM 1163 CB VAL A 70 9.877 12.948 -5.775 1.00 0.00 C ATOM 1164 CG1 VAL A 70 9.771 13.720 -4.459 1.00 0.00 C ATOM 1165 CG2 VAL A 70 9.976 11.450 -5.480 1.00 0.00 C ATOM 0 H VAL A 70 7.600 12.281 -5.015 1.00 0.00 H new ATOM 0 HA VAL A 70 8.559 14.287 -6.827 1.00 0.00 H new ATOM 0 HB VAL A 70 10.766 13.273 -6.315 1.00 0.00 H new ATOM 0 HG11 VAL A 70 10.655 13.527 -3.852 1.00 0.00 H new ATOM 0 HG12 VAL A 70 9.700 14.787 -4.668 1.00 0.00 H new ATOM 0 HG13 VAL A 70 8.882 13.397 -3.918 1.00 0.00 H new ATOM 0 HG21 VAL A 70 10.860 11.257 -4.872 1.00 0.00 H new ATOM 0 HG22 VAL A 70 9.086 11.126 -4.941 1.00 0.00 H new ATOM 0 HG23 VAL A 70 10.053 10.899 -6.417 1.00 0.00 H new ATOM 1175 N ALA A 71 7.778 11.648 -8.268 1.00 0.00 N ATOM 1176 CA ALA A 71 7.831 10.879 -9.542 1.00 0.00 C ATOM 1177 C ALA A 71 7.938 11.847 -10.722 1.00 0.00 C ATOM 1178 O ALA A 71 8.324 12.989 -10.567 1.00 0.00 O ATOM 1179 CB ALA A 71 6.557 10.042 -9.683 1.00 0.00 C ATOM 0 H ALA A 71 6.948 11.485 -7.697 1.00 0.00 H new ATOM 0 HA ALA A 71 8.701 10.222 -9.534 1.00 0.00 H new ATOM 0 HB1 ALA A 71 6.593 9.478 -10.615 1.00 0.00 H new ATOM 0 HB2 ALA A 71 6.481 9.351 -8.843 1.00 0.00 H new ATOM 0 HB3 ALA A 71 5.688 10.700 -9.691 1.00 0.00 H new ATOM 1185 N GLU A 72 7.601 11.400 -11.900 1.00 0.00 N ATOM 1186 CA GLU A 72 7.686 12.294 -13.089 1.00 0.00 C ATOM 1187 C GLU A 72 6.891 13.574 -12.824 1.00 0.00 C ATOM 1188 O GLU A 72 7.448 14.613 -12.530 1.00 0.00 O ATOM 1189 CB GLU A 72 7.104 11.577 -14.309 1.00 0.00 C ATOM 1190 CG GLU A 72 7.366 12.411 -15.564 1.00 0.00 C ATOM 1191 CD GLU A 72 6.779 11.699 -16.784 1.00 0.00 C ATOM 1192 OE1 GLU A 72 7.484 10.896 -17.373 1.00 0.00 O ATOM 1193 OE2 GLU A 72 5.634 11.968 -17.108 1.00 0.00 O ATOM 0 H GLU A 72 7.270 10.454 -12.091 1.00 0.00 H new ATOM 0 HA GLU A 72 8.729 12.547 -13.279 1.00 0.00 H new ATOM 0 HB2 GLU A 72 7.556 10.591 -14.414 1.00 0.00 H new ATOM 0 HB3 GLU A 72 6.033 11.425 -14.178 1.00 0.00 H new ATOM 0 HG2 GLU A 72 6.918 13.399 -15.456 1.00 0.00 H new ATOM 0 HG3 GLU A 72 8.438 12.559 -15.697 1.00 0.00 H new ATOM 1200 N GLU A 73 5.590 13.508 -12.924 1.00 0.00 N ATOM 1201 CA GLU A 73 4.760 14.721 -12.678 1.00 0.00 C ATOM 1202 C GLU A 73 4.520 14.881 -11.175 1.00 0.00 C ATOM 1203 O GLU A 73 4.235 13.928 -10.477 1.00 0.00 O ATOM 1204 CB GLU A 73 3.415 14.571 -13.392 1.00 0.00 C ATOM 1205 CG GLU A 73 3.646 14.457 -14.900 1.00 0.00 C ATOM 1206 CD GLU A 73 2.301 14.319 -15.615 1.00 0.00 C ATOM 1207 OE1 GLU A 73 1.858 13.197 -15.791 1.00 0.00 O ATOM 1208 OE2 GLU A 73 1.737 15.340 -15.975 1.00 0.00 O ATOM 0 H GLU A 73 5.067 12.666 -13.165 1.00 0.00 H new ATOM 0 HA GLU A 73 5.281 15.599 -13.059 1.00 0.00 H new ATOM 0 HB2 GLU A 73 2.894 13.687 -13.026 1.00 0.00 H new ATOM 0 HB3 GLU A 73 2.779 15.429 -13.175 1.00 0.00 H new ATOM 0 HG2 GLU A 73 4.175 15.338 -15.265 1.00 0.00 H new ATOM 0 HG3 GLU A 73 4.275 13.594 -15.118 1.00 0.00 H new ATOM 1215 N ARG A 74 4.631 16.081 -10.672 1.00 0.00 N ATOM 1216 CA ARG A 74 4.407 16.302 -9.215 1.00 0.00 C ATOM 1217 C ARG A 74 2.918 16.554 -8.966 1.00 0.00 C ATOM 1218 O ARG A 74 2.544 17.311 -8.091 1.00 0.00 O ATOM 1219 CB ARG A 74 5.217 17.515 -8.748 1.00 0.00 C ATOM 1220 CG ARG A 74 6.615 17.490 -9.388 1.00 0.00 C ATOM 1221 CD ARG A 74 6.673 18.485 -10.551 1.00 0.00 C ATOM 1222 NE ARG A 74 7.966 18.326 -11.275 1.00 0.00 N ATOM 1223 CZ ARG A 74 8.320 19.201 -12.176 1.00 0.00 C ATOM 1224 NH1 ARG A 74 7.542 20.214 -12.444 1.00 0.00 N ATOM 1225 NH2 ARG A 74 9.453 19.064 -12.810 1.00 0.00 N ATOM 0 H ARG A 74 4.867 16.917 -11.207 1.00 0.00 H new ATOM 0 HA ARG A 74 4.727 15.421 -8.659 1.00 0.00 H new ATOM 0 HB2 ARG A 74 4.700 18.435 -9.020 1.00 0.00 H new ATOM 0 HB3 ARG A 74 5.305 17.508 -7.662 1.00 0.00 H new ATOM 0 HG2 ARG A 74 7.370 17.743 -8.644 1.00 0.00 H new ATOM 0 HG3 ARG A 74 6.843 16.486 -9.745 1.00 0.00 H new ATOM 0 HD2 ARG A 74 5.839 18.314 -11.232 1.00 0.00 H new ATOM 0 HD3 ARG A 74 6.576 19.504 -10.177 1.00 0.00 H new ATOM 0 HE ARG A 74 8.574 17.534 -11.066 1.00 0.00 H new ATOM 0 HH11 ARG A 74 6.657 20.322 -11.949 1.00 0.00 H new ATOM 0 HH12 ARG A 74 7.819 20.898 -13.148 1.00 0.00 H new ATOM 0 HH21 ARG A 74 10.062 18.273 -12.601 1.00 0.00 H new ATOM 0 HH22 ARG A 74 9.729 19.748 -13.514 1.00 0.00 H new ATOM 1239 N LYS A 75 2.066 15.931 -9.732 1.00 0.00 N ATOM 1240 CA LYS A 75 0.604 16.137 -9.543 1.00 0.00 C ATOM 1241 C LYS A 75 -0.166 15.097 -10.363 1.00 0.00 C ATOM 1242 O LYS A 75 0.293 14.644 -11.392 1.00 0.00 O ATOM 1243 CB LYS A 75 0.228 17.546 -10.015 1.00 0.00 C ATOM 1244 CG LYS A 75 -1.108 17.960 -9.391 1.00 0.00 C ATOM 1245 CD LYS A 75 -1.472 19.383 -9.838 1.00 0.00 C ATOM 1246 CE LYS A 75 -2.216 19.335 -11.176 1.00 0.00 C ATOM 1247 NZ LYS A 75 -3.642 18.970 -10.939 1.00 0.00 N ATOM 0 H LYS A 75 2.320 15.287 -10.481 1.00 0.00 H new ATOM 0 HA LYS A 75 0.349 16.026 -8.489 1.00 0.00 H new ATOM 0 HB2 LYS A 75 1.007 18.254 -9.733 1.00 0.00 H new ATOM 0 HB3 LYS A 75 0.155 17.568 -11.102 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -1.891 17.263 -9.690 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -1.041 17.916 -8.304 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -2.095 19.863 -9.083 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -0.569 19.985 -9.936 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -2.155 20.303 -11.673 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -1.748 18.607 -11.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -4.006 18.441 -11.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -3.712 18.379 -10.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -4.205 19.835 -10.808 1.00 0.00 H new ATOM 1261 N ARG A 76 -1.331 14.714 -9.915 1.00 0.00 N ATOM 1262 CA ARG A 76 -2.123 13.703 -10.672 1.00 0.00 C ATOM 1263 C ARG A 76 -1.235 12.500 -10.994 1.00 0.00 C ATOM 1264 O ARG A 76 -0.703 12.382 -12.080 1.00 0.00 O ATOM 1265 CB ARG A 76 -2.632 14.326 -11.976 1.00 0.00 C ATOM 1266 CG ARG A 76 -3.664 15.419 -11.663 1.00 0.00 C ATOM 1267 CD ARG A 76 -5.065 14.805 -11.591 1.00 0.00 C ATOM 1268 NE ARG A 76 -5.540 14.493 -12.968 1.00 0.00 N ATOM 1269 CZ ARG A 76 -6.659 13.844 -13.141 1.00 0.00 C ATOM 1270 NH1 ARG A 76 -7.361 13.469 -12.107 1.00 0.00 N ATOM 1271 NH2 ARG A 76 -7.074 13.570 -14.347 1.00 0.00 N ATOM 0 H ARG A 76 -1.768 15.057 -9.059 1.00 0.00 H new ATOM 0 HA ARG A 76 -2.971 13.378 -10.069 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -1.799 14.750 -12.537 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -3.082 13.558 -12.605 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -3.420 15.902 -10.717 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -3.634 16.191 -12.432 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -5.046 13.898 -10.987 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -5.753 15.497 -11.105 1.00 0.00 H new ATOM 0 HE ARG A 76 -4.991 14.787 -13.776 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -7.035 13.683 -11.164 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -8.236 12.962 -12.241 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -6.524 13.863 -15.154 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -7.949 13.063 -14.482 1.00 0.00 H new ATOM 1285 N ILE A 77 -1.068 11.606 -10.058 1.00 0.00 N ATOM 1286 CA ILE A 77 -0.212 10.410 -10.307 1.00 0.00 C ATOM 1287 C ILE A 77 -1.065 9.270 -10.866 1.00 0.00 C ATOM 1288 O ILE A 77 -1.997 8.813 -10.234 1.00 0.00 O ATOM 1289 CB ILE A 77 0.432 9.963 -8.994 1.00 0.00 C ATOM 1290 CG1 ILE A 77 1.019 11.182 -8.278 1.00 0.00 C ATOM 1291 CG2 ILE A 77 1.549 8.960 -9.290 1.00 0.00 C ATOM 1292 CD1 ILE A 77 1.765 10.728 -7.022 1.00 0.00 C ATOM 0 H ILE A 77 -1.488 11.652 -9.130 1.00 0.00 H new ATOM 0 HA ILE A 77 0.564 10.668 -11.028 1.00 0.00 H new ATOM 0 HB ILE A 77 -0.320 9.493 -8.360 1.00 0.00 H new ATOM 0 HG12 ILE A 77 1.698 11.716 -8.943 1.00 0.00 H new ATOM 0 HG13 ILE A 77 0.223 11.877 -8.010 1.00 0.00 H new ATOM 0 HG21 ILE A 77 2.009 8.641 -8.355 1.00 0.00 H new ATOM 0 HG22 ILE A 77 1.133 8.094 -9.804 1.00 0.00 H new ATOM 0 HG23 ILE A 77 2.302 9.430 -9.922 1.00 0.00 H new ATOM 0 HD11 ILE A 77 2.183 11.597 -6.513 1.00 0.00 H new ATOM 0 HD12 ILE A 77 1.074 10.214 -6.354 1.00 0.00 H new ATOM 0 HD13 ILE A 77 2.571 10.050 -7.303 1.00 0.00 H new ATOM 1304 N THR A 78 -0.754 8.807 -12.046 1.00 0.00 N ATOM 1305 CA THR A 78 -1.547 7.695 -12.645 1.00 0.00 C ATOM 1306 C THR A 78 -0.947 6.355 -12.213 1.00 0.00 C ATOM 1307 O THR A 78 0.252 6.221 -12.071 1.00 0.00 O ATOM 1308 CB THR A 78 -1.506 7.805 -14.171 1.00 0.00 C ATOM 1309 OG1 THR A 78 -1.702 9.159 -14.551 1.00 0.00 O ATOM 1310 CG2 THR A 78 -2.611 6.938 -14.778 1.00 0.00 C ATOM 0 H THR A 78 0.015 9.150 -12.622 1.00 0.00 H new ATOM 0 HA THR A 78 -2.581 7.758 -12.305 1.00 0.00 H new ATOM 0 HB THR A 78 -0.538 7.461 -14.534 1.00 0.00 H new ATOM 0 HG1 THR A 78 -1.674 9.232 -15.528 1.00 0.00 H new ATOM 0 HG21 THR A 78 -2.580 7.018 -15.865 1.00 0.00 H new ATOM 0 HG22 THR A 78 -2.460 5.899 -14.486 1.00 0.00 H new ATOM 0 HG23 THR A 78 -3.581 7.279 -14.416 1.00 0.00 H new ATOM 1318 N VAL A 79 -1.773 5.362 -12.001 1.00 0.00 N ATOM 1319 CA VAL A 79 -1.252 4.027 -11.575 1.00 0.00 C ATOM 1320 C VAL A 79 -1.718 2.954 -12.561 1.00 0.00 C ATOM 1321 O VAL A 79 -2.725 2.305 -12.358 1.00 0.00 O ATOM 1322 CB VAL A 79 -1.781 3.697 -10.178 1.00 0.00 C ATOM 1323 CG1 VAL A 79 -1.047 2.472 -9.630 1.00 0.00 C ATOM 1324 CG2 VAL A 79 -1.545 4.891 -9.250 1.00 0.00 C ATOM 0 H VAL A 79 -2.786 5.418 -12.104 1.00 0.00 H new ATOM 0 HA VAL A 79 -0.162 4.053 -11.557 1.00 0.00 H new ATOM 0 HB VAL A 79 -2.849 3.485 -10.234 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -1.424 2.237 -8.635 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -1.214 1.622 -10.291 1.00 0.00 H new ATOM 0 HG13 VAL A 79 0.021 2.683 -9.573 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -1.921 4.658 -8.254 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -0.477 5.103 -9.194 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -2.068 5.764 -9.640 1.00 0.00 H new ATOM 1334 N THR A 80 -0.988 2.756 -13.627 1.00 0.00 N ATOM 1335 CA THR A 80 -1.384 1.719 -14.624 1.00 0.00 C ATOM 1336 C THR A 80 -0.655 0.412 -14.308 1.00 0.00 C ATOM 1337 O THR A 80 0.101 0.328 -13.360 1.00 0.00 O ATOM 1338 CB THR A 80 -0.999 2.190 -16.029 1.00 0.00 C ATOM 1339 OG1 THR A 80 0.384 2.513 -16.055 1.00 0.00 O ATOM 1340 CG2 THR A 80 -1.821 3.426 -16.396 1.00 0.00 C ATOM 0 H THR A 80 -0.134 3.268 -13.850 1.00 0.00 H new ATOM 0 HA THR A 80 -2.461 1.558 -14.578 1.00 0.00 H new ATOM 0 HB THR A 80 -1.200 1.396 -16.748 1.00 0.00 H new ATOM 0 HG1 THR A 80 0.633 2.813 -16.954 1.00 0.00 H new ATOM 0 HG21 THR A 80 -1.547 3.761 -17.396 1.00 0.00 H new ATOM 0 HG22 THR A 80 -2.882 3.177 -16.375 1.00 0.00 H new ATOM 0 HG23 THR A 80 -1.621 4.222 -15.679 1.00 0.00 H new ATOM 1348 N GLU A 81 -0.870 -0.609 -15.092 1.00 0.00 N ATOM 1349 CA GLU A 81 -0.182 -1.905 -14.826 1.00 0.00 C ATOM 1350 C GLU A 81 1.330 -1.713 -14.959 1.00 0.00 C ATOM 1351 O GLU A 81 2.111 -2.459 -14.401 1.00 0.00 O ATOM 1352 CB GLU A 81 -0.658 -2.956 -15.830 1.00 0.00 C ATOM 1353 CG GLU A 81 -0.437 -2.443 -17.254 1.00 0.00 C ATOM 1354 CD GLU A 81 -0.912 -3.497 -18.256 1.00 0.00 C ATOM 1355 OE1 GLU A 81 -0.131 -4.378 -18.572 1.00 0.00 O ATOM 1356 OE2 GLU A 81 -2.049 -3.405 -18.689 1.00 0.00 O ATOM 0 H GLU A 81 -1.490 -0.603 -15.902 1.00 0.00 H new ATOM 0 HA GLU A 81 -0.418 -2.242 -13.817 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -0.114 -3.889 -15.680 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -1.714 -3.173 -15.671 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -0.982 -1.511 -17.405 1.00 0.00 H new ATOM 0 HG3 GLU A 81 0.619 -2.224 -17.413 1.00 0.00 H new ATOM 1363 N LYS A 82 1.752 -0.715 -15.686 1.00 0.00 N ATOM 1364 CA LYS A 82 3.214 -0.474 -15.845 1.00 0.00 C ATOM 1365 C LYS A 82 3.742 0.229 -14.594 1.00 0.00 C ATOM 1366 O LYS A 82 4.559 -0.304 -13.869 1.00 0.00 O ATOM 1367 CB LYS A 82 3.460 0.410 -17.071 1.00 0.00 C ATOM 1368 CG LYS A 82 2.986 -0.322 -18.331 1.00 0.00 C ATOM 1369 CD LYS A 82 3.505 0.398 -19.583 1.00 0.00 C ATOM 1370 CE LYS A 82 2.588 1.577 -19.920 1.00 0.00 C ATOM 1371 NZ LYS A 82 3.205 2.390 -21.005 1.00 0.00 N ATOM 0 H LYS A 82 1.148 -0.056 -16.177 1.00 0.00 H new ATOM 0 HA LYS A 82 3.730 -1.425 -15.980 1.00 0.00 H new ATOM 0 HB2 LYS A 82 2.927 1.355 -16.964 1.00 0.00 H new ATOM 0 HB3 LYS A 82 4.520 0.649 -17.153 1.00 0.00 H new ATOM 0 HG2 LYS A 82 3.343 -1.352 -18.319 1.00 0.00 H new ATOM 0 HG3 LYS A 82 1.897 -0.363 -18.350 1.00 0.00 H new ATOM 0 HD2 LYS A 82 4.522 0.753 -19.415 1.00 0.00 H new ATOM 0 HD3 LYS A 82 3.544 -0.296 -20.423 1.00 0.00 H new ATOM 0 HE2 LYS A 82 1.610 1.213 -20.235 1.00 0.00 H new ATOM 0 HE3 LYS A 82 2.429 2.193 -19.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 2.583 3.191 -21.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 4.128 2.748 -20.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 3.335 1.799 -21.851 1.00 0.00 H new ATOM 1385 N ASN A 83 3.272 1.418 -14.330 1.00 0.00 N ATOM 1386 CA ASN A 83 3.735 2.155 -13.120 1.00 0.00 C ATOM 1387 C ASN A 83 3.713 1.208 -11.918 1.00 0.00 C ATOM 1388 O ASN A 83 4.583 1.244 -11.068 1.00 0.00 O ATOM 1389 CB ASN A 83 2.804 3.344 -12.859 1.00 0.00 C ATOM 1390 CG ASN A 83 3.513 4.361 -11.962 1.00 0.00 C ATOM 1391 OD1 ASN A 83 4.219 3.991 -11.047 1.00 0.00 O ATOM 1392 ND2 ASN A 83 3.354 5.637 -12.189 1.00 0.00 N ATOM 0 H ASN A 83 2.586 1.911 -14.901 1.00 0.00 H new ATOM 0 HA ASN A 83 4.749 2.522 -13.277 1.00 0.00 H new ATOM 0 HB2 ASN A 83 2.520 3.811 -13.802 1.00 0.00 H new ATOM 0 HB3 ASN A 83 1.885 3.002 -12.383 1.00 0.00 H new ATOM 0 HD21 ASN A 83 3.823 6.323 -11.597 1.00 0.00 H new ATOM 0 HD22 ASN A 83 2.761 5.948 -12.958 1.00 0.00 H new ATOM 1399 N LEU A 84 2.719 0.361 -11.846 1.00 0.00 N ATOM 1400 CA LEU A 84 2.623 -0.600 -10.707 1.00 0.00 C ATOM 1401 C LEU A 84 4.016 -1.132 -10.367 1.00 0.00 C ATOM 1402 O LEU A 84 4.393 -1.224 -9.217 1.00 0.00 O ATOM 1403 CB LEU A 84 1.708 -1.764 -11.107 1.00 0.00 C ATOM 1404 CG LEU A 84 1.810 -2.901 -10.073 1.00 0.00 C ATOM 1405 CD1 LEU A 84 0.423 -3.503 -9.833 1.00 0.00 C ATOM 1406 CD2 LEU A 84 2.752 -3.995 -10.593 1.00 0.00 C ATOM 0 H LEU A 84 1.966 0.293 -12.531 1.00 0.00 H new ATOM 0 HA LEU A 84 2.210 -0.095 -9.834 1.00 0.00 H new ATOM 0 HB2 LEU A 84 0.677 -1.418 -11.177 1.00 0.00 H new ATOM 0 HB3 LEU A 84 1.988 -2.134 -12.093 1.00 0.00 H new ATOM 0 HG LEU A 84 2.202 -2.498 -9.139 1.00 0.00 H new ATOM 0 HD11 LEU A 84 0.497 -4.307 -9.101 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -0.249 -2.731 -9.457 1.00 0.00 H new ATOM 0 HD13 LEU A 84 0.032 -3.900 -10.770 1.00 0.00 H new ATOM 0 HD21 LEU A 84 2.820 -4.796 -9.857 1.00 0.00 H new ATOM 0 HD22 LEU A 84 2.364 -4.394 -11.530 1.00 0.00 H new ATOM 0 HD23 LEU A 84 3.742 -3.572 -10.762 1.00 0.00 H new ATOM 1418 N GLN A 85 4.788 -1.475 -11.361 1.00 0.00 N ATOM 1419 CA GLN A 85 6.157 -1.993 -11.092 1.00 0.00 C ATOM 1420 C GLN A 85 6.966 -0.916 -10.368 1.00 0.00 C ATOM 1421 O GLN A 85 7.727 -1.197 -9.464 1.00 0.00 O ATOM 1422 CB GLN A 85 6.840 -2.345 -12.415 1.00 0.00 C ATOM 1423 CG GLN A 85 5.982 -3.356 -13.179 1.00 0.00 C ATOM 1424 CD GLN A 85 6.746 -3.849 -14.409 1.00 0.00 C ATOM 1425 OE1 GLN A 85 7.906 -4.200 -14.318 1.00 0.00 O ATOM 1426 NE2 GLN A 85 6.141 -3.890 -15.564 1.00 0.00 N ATOM 0 H GLN A 85 4.530 -1.419 -12.346 1.00 0.00 H new ATOM 0 HA GLN A 85 6.097 -2.886 -10.470 1.00 0.00 H new ATOM 0 HB2 GLN A 85 6.981 -1.446 -13.014 1.00 0.00 H new ATOM 0 HB3 GLN A 85 7.830 -2.761 -12.226 1.00 0.00 H new ATOM 0 HG2 GLN A 85 5.731 -4.197 -12.533 1.00 0.00 H new ATOM 0 HG3 GLN A 85 5.042 -2.895 -13.482 1.00 0.00 H new ATOM 0 HE21 GLN A 85 5.167 -3.595 -15.641 1.00 0.00 H new ATOM 0 HE22 GLN A 85 6.641 -4.217 -16.391 1.00 0.00 H new ATOM 1435 N ASP A 86 6.804 0.318 -10.759 1.00 0.00 N ATOM 1436 CA ASP A 86 7.560 1.417 -10.097 1.00 0.00 C ATOM 1437 C ASP A 86 7.158 1.503 -8.623 1.00 0.00 C ATOM 1438 O ASP A 86 7.982 1.728 -7.759 1.00 0.00 O ATOM 1439 CB ASP A 86 7.247 2.744 -10.792 1.00 0.00 C ATOM 1440 CG ASP A 86 7.269 2.546 -12.309 1.00 0.00 C ATOM 1441 OD1 ASP A 86 7.652 1.472 -12.740 1.00 0.00 O ATOM 1442 OD2 ASP A 86 6.902 3.472 -13.013 1.00 0.00 O ATOM 0 H ASP A 86 6.179 0.613 -11.510 1.00 0.00 H new ATOM 0 HA ASP A 86 8.629 1.214 -10.168 1.00 0.00 H new ATOM 0 HB2 ASP A 86 6.270 3.110 -10.477 1.00 0.00 H new ATOM 0 HB3 ASP A 86 7.978 3.499 -10.503 1.00 0.00 H new ATOM 1447 N PHE A 87 5.897 1.329 -8.323 1.00 0.00 N ATOM 1448 CA PHE A 87 5.458 1.404 -6.900 1.00 0.00 C ATOM 1449 C PHE A 87 5.783 0.083 -6.204 1.00 0.00 C ATOM 1450 O PHE A 87 6.671 0.004 -5.378 1.00 0.00 O ATOM 1451 CB PHE A 87 3.947 1.650 -6.830 1.00 0.00 C ATOM 1452 CG PHE A 87 3.600 2.955 -7.515 1.00 0.00 C ATOM 1453 CD1 PHE A 87 4.159 4.157 -7.062 1.00 0.00 C ATOM 1454 CD2 PHE A 87 2.711 2.964 -8.598 1.00 0.00 C ATOM 1455 CE1 PHE A 87 3.832 5.364 -7.694 1.00 0.00 C ATOM 1456 CE2 PHE A 87 2.384 4.170 -9.228 1.00 0.00 C ATOM 1457 CZ PHE A 87 2.945 5.370 -8.777 1.00 0.00 C ATOM 0 H PHE A 87 5.157 1.139 -8.999 1.00 0.00 H new ATOM 0 HA PHE A 87 5.979 2.225 -6.407 1.00 0.00 H new ATOM 0 HB2 PHE A 87 3.414 0.827 -7.307 1.00 0.00 H new ATOM 0 HB3 PHE A 87 3.623 1.679 -5.790 1.00 0.00 H new ATOM 0 HD1 PHE A 87 4.842 4.153 -6.225 1.00 0.00 H new ATOM 0 HD2 PHE A 87 2.277 2.039 -8.947 1.00 0.00 H new ATOM 0 HE1 PHE A 87 4.264 6.290 -7.345 1.00 0.00 H new ATOM 0 HE2 PHE A 87 1.698 4.175 -10.063 1.00 0.00 H new ATOM 0 HZ PHE A 87 2.694 6.300 -9.264 1.00 0.00 H new ATOM 1467 N ILE A 88 5.070 -0.957 -6.534 1.00 0.00 N ATOM 1468 CA ILE A 88 5.333 -2.276 -5.898 1.00 0.00 C ATOM 1469 C ILE A 88 6.717 -2.773 -6.332 1.00 0.00 C ATOM 1470 O ILE A 88 7.570 -3.053 -5.513 1.00 0.00 O ATOM 1471 CB ILE A 88 4.234 -3.261 -6.326 1.00 0.00 C ATOM 1472 CG1 ILE A 88 3.196 -3.392 -5.205 1.00 0.00 C ATOM 1473 CG2 ILE A 88 4.824 -4.642 -6.629 1.00 0.00 C ATOM 1474 CD1 ILE A 88 1.910 -4.003 -5.767 1.00 0.00 C ATOM 0 H ILE A 88 4.314 -0.950 -7.219 1.00 0.00 H new ATOM 0 HA ILE A 88 5.321 -2.190 -4.811 1.00 0.00 H new ATOM 0 HB ILE A 88 3.762 -2.876 -7.230 1.00 0.00 H new ATOM 0 HG12 ILE A 88 3.588 -4.018 -4.403 1.00 0.00 H new ATOM 0 HG13 ILE A 88 2.987 -2.414 -4.772 1.00 0.00 H new ATOM 0 HG21 ILE A 88 4.026 -5.321 -6.930 1.00 0.00 H new ATOM 0 HG22 ILE A 88 5.552 -4.558 -7.436 1.00 0.00 H new ATOM 0 HG23 ILE A 88 5.315 -5.032 -5.737 1.00 0.00 H new ATOM 0 HD11 ILE A 88 1.173 -4.096 -4.970 1.00 0.00 H new ATOM 0 HD12 ILE A 88 1.515 -3.360 -6.553 1.00 0.00 H new ATOM 0 HD13 ILE A 88 2.125 -4.989 -6.179 1.00 0.00 H new ATOM 1486 N GLY A 89 6.948 -2.880 -7.613 1.00 0.00 N ATOM 1487 CA GLY A 89 8.276 -3.356 -8.099 1.00 0.00 C ATOM 1488 C GLY A 89 8.738 -4.552 -7.263 1.00 0.00 C ATOM 1489 O GLY A 89 9.914 -4.741 -7.030 1.00 0.00 O ATOM 0 H GLY A 89 6.273 -2.658 -8.345 1.00 0.00 H new ATOM 0 HA2 GLY A 89 8.208 -3.640 -9.149 1.00 0.00 H new ATOM 0 HA3 GLY A 89 9.007 -2.551 -8.033 1.00 0.00 H new ATOM 1493 N LYS A 90 7.819 -5.361 -6.809 1.00 0.00 N ATOM 1494 CA LYS A 90 8.206 -6.543 -5.988 1.00 0.00 C ATOM 1495 C LYS A 90 6.995 -7.463 -5.820 1.00 0.00 C ATOM 1496 O LYS A 90 6.274 -7.386 -4.845 1.00 0.00 O ATOM 1497 CB LYS A 90 8.682 -6.072 -4.610 1.00 0.00 C ATOM 1498 CG LYS A 90 9.362 -7.233 -3.871 1.00 0.00 C ATOM 1499 CD LYS A 90 10.842 -7.317 -4.273 1.00 0.00 C ATOM 1500 CE LYS A 90 11.692 -6.493 -3.301 1.00 0.00 C ATOM 1501 NZ LYS A 90 10.978 -5.229 -2.961 1.00 0.00 N ATOM 0 H LYS A 90 6.818 -5.254 -6.971 1.00 0.00 H new ATOM 0 HA LYS A 90 9.010 -7.085 -6.486 1.00 0.00 H new ATOM 0 HB2 LYS A 90 9.379 -5.241 -4.720 1.00 0.00 H new ATOM 0 HB3 LYS A 90 7.836 -5.704 -4.029 1.00 0.00 H new ATOM 0 HG2 LYS A 90 9.277 -7.089 -2.794 1.00 0.00 H new ATOM 0 HG3 LYS A 90 8.859 -8.170 -4.108 1.00 0.00 H new ATOM 0 HD2 LYS A 90 11.171 -8.356 -4.267 1.00 0.00 H new ATOM 0 HD3 LYS A 90 10.974 -6.946 -5.290 1.00 0.00 H new ATOM 0 HE2 LYS A 90 11.887 -7.067 -2.395 1.00 0.00 H new ATOM 0 HE3 LYS A 90 12.659 -6.267 -3.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 11.584 -4.640 -2.355 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 10.754 -4.711 -3.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 10.097 -5.453 -2.455 1.00 0.00 H new ATOM 1515 N ARG A 91 6.767 -8.339 -6.761 1.00 0.00 N ATOM 1516 CA ARG A 91 5.604 -9.265 -6.652 1.00 0.00 C ATOM 1517 C ARG A 91 6.014 -10.502 -5.852 1.00 0.00 C ATOM 1518 O ARG A 91 7.088 -10.558 -5.287 1.00 0.00 O ATOM 1519 CB ARG A 91 5.153 -9.691 -8.053 1.00 0.00 C ATOM 1520 CG ARG A 91 6.374 -10.076 -8.903 1.00 0.00 C ATOM 1521 CD ARG A 91 6.768 -8.905 -9.808 1.00 0.00 C ATOM 1522 NE ARG A 91 5.698 -8.677 -10.820 1.00 0.00 N ATOM 1523 CZ ARG A 91 5.524 -9.533 -11.790 1.00 0.00 C ATOM 1524 NH1 ARG A 91 6.287 -10.587 -11.876 1.00 0.00 N ATOM 1525 NH2 ARG A 91 4.586 -9.333 -12.676 1.00 0.00 N ATOM 0 H ARG A 91 7.336 -8.453 -7.600 1.00 0.00 H new ATOM 0 HA ARG A 91 4.783 -8.758 -6.146 1.00 0.00 H new ATOM 0 HB2 ARG A 91 4.468 -10.536 -7.982 1.00 0.00 H new ATOM 0 HB3 ARG A 91 4.608 -8.877 -8.532 1.00 0.00 H new ATOM 0 HG2 ARG A 91 7.209 -10.344 -8.256 1.00 0.00 H new ATOM 0 HG3 ARG A 91 6.145 -10.954 -9.508 1.00 0.00 H new ATOM 0 HD2 ARG A 91 6.917 -8.005 -9.212 1.00 0.00 H new ATOM 0 HD3 ARG A 91 7.714 -9.118 -10.305 1.00 0.00 H new ATOM 0 HE ARG A 91 5.102 -7.852 -10.755 1.00 0.00 H new ATOM 0 HH11 ARG A 91 7.021 -10.743 -11.185 1.00 0.00 H new ATOM 0 HH12 ARG A 91 6.150 -11.255 -12.634 1.00 0.00 H new ATOM 0 HH21 ARG A 91 3.990 -8.508 -12.610 1.00 0.00 H new ATOM 0 HH22 ARG A 91 4.450 -10.002 -13.434 1.00 0.00 H new ATOM 1539 N ILE A 92 5.167 -11.497 -5.802 1.00 0.00 N ATOM 1540 CA ILE A 92 5.503 -12.736 -5.039 1.00 0.00 C ATOM 1541 C ILE A 92 5.122 -13.962 -5.871 1.00 0.00 C ATOM 1542 O ILE A 92 5.841 -14.940 -5.918 1.00 0.00 O ATOM 1543 CB ILE A 92 4.723 -12.752 -3.723 1.00 0.00 C ATOM 1544 CG1 ILE A 92 5.170 -11.573 -2.851 1.00 0.00 C ATOM 1545 CG2 ILE A 92 4.997 -14.066 -2.987 1.00 0.00 C ATOM 1546 CD1 ILE A 92 4.241 -11.444 -1.640 1.00 0.00 C ATOM 0 H ILE A 92 4.255 -11.505 -6.258 1.00 0.00 H new ATOM 0 HA ILE A 92 6.572 -12.755 -4.828 1.00 0.00 H new ATOM 0 HB ILE A 92 3.656 -12.666 -3.929 1.00 0.00 H new ATOM 0 HG12 ILE A 92 6.197 -11.723 -2.519 1.00 0.00 H new ATOM 0 HG13 ILE A 92 5.154 -10.652 -3.433 1.00 0.00 H new ATOM 0 HG21 ILE A 92 4.442 -14.080 -2.049 1.00 0.00 H new ATOM 0 HG22 ILE A 92 4.680 -14.904 -3.608 1.00 0.00 H new ATOM 0 HG23 ILE A 92 6.064 -14.151 -2.779 1.00 0.00 H new ATOM 0 HD11 ILE A 92 4.562 -10.605 -1.023 1.00 0.00 H new ATOM 0 HD12 ILE A 92 3.220 -11.274 -1.981 1.00 0.00 H new ATOM 0 HD13 ILE A 92 4.279 -12.362 -1.053 1.00 0.00 H new ATOM 1558 N PHE A 93 3.994 -13.916 -6.526 1.00 0.00 N ATOM 1559 CA PHE A 93 3.564 -15.079 -7.355 1.00 0.00 C ATOM 1560 C PHE A 93 4.217 -14.989 -8.736 1.00 0.00 C ATOM 1561 O PHE A 93 3.583 -14.644 -9.713 1.00 0.00 O ATOM 1562 CB PHE A 93 2.041 -15.057 -7.509 1.00 0.00 C ATOM 1563 CG PHE A 93 1.394 -15.218 -6.153 1.00 0.00 C ATOM 1564 CD1 PHE A 93 1.421 -14.161 -5.235 1.00 0.00 C ATOM 1565 CD2 PHE A 93 0.768 -16.423 -5.814 1.00 0.00 C ATOM 1566 CE1 PHE A 93 0.823 -14.309 -3.978 1.00 0.00 C ATOM 1567 CE2 PHE A 93 0.169 -16.571 -4.556 1.00 0.00 C ATOM 1568 CZ PHE A 93 0.196 -15.514 -3.639 1.00 0.00 C ATOM 0 H PHE A 93 3.351 -13.124 -6.523 1.00 0.00 H new ATOM 0 HA PHE A 93 3.868 -16.006 -6.869 1.00 0.00 H new ATOM 0 HB2 PHE A 93 1.725 -14.119 -7.965 1.00 0.00 H new ATOM 0 HB3 PHE A 93 1.721 -15.859 -8.174 1.00 0.00 H new ATOM 0 HD1 PHE A 93 1.904 -13.231 -5.497 1.00 0.00 H new ATOM 0 HD2 PHE A 93 0.747 -17.238 -6.522 1.00 0.00 H new ATOM 0 HE1 PHE A 93 0.845 -13.494 -3.270 1.00 0.00 H new ATOM 0 HE2 PHE A 93 -0.314 -17.501 -4.294 1.00 0.00 H new ATOM 0 HZ PHE A 93 -0.267 -15.628 -2.670 1.00 0.00 H new ATOM 1578 N ARG A 94 5.484 -15.297 -8.824 1.00 0.00 N ATOM 1579 CA ARG A 94 6.179 -15.228 -10.142 1.00 0.00 C ATOM 1580 C ARG A 94 6.077 -16.584 -10.847 1.00 0.00 C ATOM 1581 O ARG A 94 7.047 -17.305 -10.966 1.00 0.00 O ATOM 1582 CB ARG A 94 7.652 -14.880 -9.922 1.00 0.00 C ATOM 1583 CG ARG A 94 7.762 -13.485 -9.304 1.00 0.00 C ATOM 1584 CD ARG A 94 9.182 -13.268 -8.781 1.00 0.00 C ATOM 1585 NE ARG A 94 9.403 -11.815 -8.532 1.00 0.00 N ATOM 1586 CZ ARG A 94 10.457 -11.419 -7.873 1.00 0.00 C ATOM 1587 NH1 ARG A 94 11.317 -12.295 -7.430 1.00 0.00 N ATOM 1588 NH2 ARG A 94 10.650 -10.147 -7.656 1.00 0.00 N ATOM 0 H ARG A 94 6.067 -15.593 -8.041 1.00 0.00 H new ATOM 0 HA ARG A 94 5.710 -14.462 -10.759 1.00 0.00 H new ATOM 0 HB2 ARG A 94 8.116 -15.617 -9.267 1.00 0.00 H new ATOM 0 HB3 ARG A 94 8.189 -14.913 -10.870 1.00 0.00 H new ATOM 0 HG2 ARG A 94 7.517 -12.726 -10.047 1.00 0.00 H new ATOM 0 HG3 ARG A 94 7.044 -13.378 -8.491 1.00 0.00 H new ATOM 0 HD2 ARG A 94 9.332 -13.833 -7.861 1.00 0.00 H new ATOM 0 HD3 ARG A 94 9.908 -13.639 -9.505 1.00 0.00 H new ATOM 0 HE ARG A 94 8.730 -11.130 -8.877 1.00 0.00 H new ATOM 0 HH11 ARG A 94 11.165 -13.289 -7.599 1.00 0.00 H new ATOM 0 HH12 ARG A 94 12.141 -11.985 -6.915 1.00 0.00 H new ATOM 0 HH21 ARG A 94 9.977 -9.463 -8.002 1.00 0.00 H new ATOM 0 HH22 ARG A 94 11.474 -9.837 -7.141 1.00 0.00 H new ATOM 1602 N TYR A 95 4.911 -16.933 -11.318 1.00 0.00 N ATOM 1603 CA TYR A 95 4.752 -18.240 -12.017 1.00 0.00 C ATOM 1604 C TYR A 95 5.290 -18.112 -13.446 1.00 0.00 C ATOM 1605 O TYR A 95 5.754 -17.065 -13.851 1.00 0.00 O ATOM 1606 CB TYR A 95 3.263 -18.622 -12.049 1.00 0.00 C ATOM 1607 CG TYR A 95 3.076 -20.010 -11.478 1.00 0.00 C ATOM 1608 CD1 TYR A 95 3.163 -20.214 -10.097 1.00 0.00 C ATOM 1609 CD2 TYR A 95 2.817 -21.090 -12.332 1.00 0.00 C ATOM 1610 CE1 TYR A 95 2.992 -21.499 -9.567 1.00 0.00 C ATOM 1611 CE2 TYR A 95 2.646 -22.375 -11.801 1.00 0.00 C ATOM 1612 CZ TYR A 95 2.734 -22.579 -10.419 1.00 0.00 C ATOM 1613 OH TYR A 95 2.566 -23.845 -9.897 1.00 0.00 O ATOM 0 H TYR A 95 4.063 -16.371 -11.249 1.00 0.00 H new ATOM 0 HA TYR A 95 5.308 -19.015 -11.489 1.00 0.00 H new ATOM 0 HB2 TYR A 95 2.681 -17.901 -11.474 1.00 0.00 H new ATOM 0 HB3 TYR A 95 2.892 -18.587 -13.073 1.00 0.00 H new ATOM 0 HD1 TYR A 95 3.362 -19.381 -9.439 1.00 0.00 H new ATOM 0 HD2 TYR A 95 2.749 -20.932 -13.398 1.00 0.00 H new ATOM 0 HE1 TYR A 95 3.059 -21.657 -8.501 1.00 0.00 H new ATOM 0 HE2 TYR A 95 2.446 -23.208 -12.458 1.00 0.00 H new ATOM 0 HH TYR A 95 2.393 -24.479 -10.624 1.00 0.00 H new TER 1623 TYR A 95