USER MOD reduce.3.24.130724 H: found=0, std=0, add=922, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 922 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 12 GLN : amide:sc= -4.48! C(o=-11!,f=-14!) USER MOD Set 1.2: A 32 GLN : amide:sc= -6.49! C(o=-11!,f=-20!) USER MOD Set 2.1: A 20 ASN : amide:sc= 1.17 K(o=2.4,f=-1.8) USER MOD Set 2.2: A 24 ASN : amide:sc= 0 X(o=2.4,f=2.3) USER MOD Set 2.3: A 30 THR OG1 : rot 160:sc= 1.21 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 TYR OH : rot 160:sc= 0.0556 USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 ASN : amide:sc= -0.148 K(o=-0.15,f=-1.4) USER MOD Single : A 38 GLN : amide:sc= -0.253 K(o=-0.25,f=-2.8!) USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.0902 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 MET CE :methyl 144:sc= -11! (180deg=-14.4!) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 MET CE :methyl -102:sc= -2.01! (180deg=-4.42!) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 MET CE :methyl -175:sc= -0.754 (180deg=-0.916) USER MOD Single : A 70 LYS NZ :NH3+ -164:sc= 0.923 (180deg=0.477!) USER MOD Single : A 75 ASN : amide:sc= 0.525 K(o=0.52,f=-0.011) USER MOD Single : A 81 MET CE :methyl 180:sc= -17.6! (180deg=-17.6!) USER MOD Single : A 82 THR OG1 : rot -180:sc= 1.13 USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 MET CE :methyl -173:sc= -4.38! (180deg=-4.42!) USER MOD Single : A 91 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 93 SER OG : rot 83:sc= 0.62 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 THR OG1 : rot -128:sc= -0.467 USER MOD Single : A 101 HIS : no HD1:sc= -8.87! C(o=-8.9!,f=-9.1!) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 49 N GLU A 4 -5.017 -8.795 11.902 1.00 0.00 N ATOM 50 CA GLU A 4 -4.798 -8.061 10.668 1.00 0.00 C ATOM 51 C GLU A 4 -3.523 -7.221 10.769 1.00 0.00 C ATOM 52 O GLU A 4 -3.124 -6.822 11.862 1.00 0.00 O ATOM 53 CB GLU A 4 -6.006 -7.186 10.328 1.00 0.00 C ATOM 54 CG GLU A 4 -6.451 -7.403 8.881 1.00 0.00 C ATOM 55 CD GLU A 4 -7.974 -7.325 8.758 1.00 0.00 C ATOM 56 OE1 GLU A 4 -8.637 -8.195 9.363 1.00 0.00 O ATOM 57 OE2 GLU A 4 -8.441 -6.398 8.062 1.00 0.00 O ATOM 0 HA GLU A 4 -4.673 -8.780 9.858 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -6.829 -7.418 11.004 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -5.754 -6.137 10.481 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -5.992 -6.651 8.239 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -6.104 -8.375 8.532 1.00 0.00 H new ATOM 64 N LYS A 5 -2.919 -6.978 9.615 1.00 0.00 N ATOM 65 CA LYS A 5 -1.698 -6.193 9.560 1.00 0.00 C ATOM 66 C LYS A 5 -1.695 -5.350 8.283 1.00 0.00 C ATOM 67 O LYS A 5 -2.431 -5.642 7.341 1.00 0.00 O ATOM 68 CB LYS A 5 -0.472 -7.098 9.701 1.00 0.00 C ATOM 69 CG LYS A 5 -0.155 -7.365 11.174 1.00 0.00 C ATOM 70 CD LYS A 5 0.067 -8.857 11.426 1.00 0.00 C ATOM 71 CE LYS A 5 1.487 -9.123 11.930 1.00 0.00 C ATOM 72 NZ LYS A 5 1.466 -9.515 13.357 1.00 0.00 N ATOM 0 H LYS A 5 -3.253 -7.311 8.711 1.00 0.00 H new ATOM 0 HA LYS A 5 -1.653 -5.500 10.400 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -0.651 -8.042 9.187 1.00 0.00 H new ATOM 0 HB3 LYS A 5 0.387 -6.631 9.219 1.00 0.00 H new ATOM 0 HG2 LYS A 5 0.735 -6.807 11.465 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -0.974 -7.005 11.797 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -0.656 -9.217 12.158 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -0.106 -9.415 10.506 1.00 0.00 H new ATOM 0 HE2 LYS A 5 1.948 -9.913 11.337 1.00 0.00 H new ATOM 0 HE3 LYS A 5 2.098 -8.230 11.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 2.438 -9.692 13.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 1.046 -8.749 13.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 0.900 -10.380 13.471 1.00 0.00 H new ATOM 86 N ILE A 6 -0.860 -4.322 8.292 1.00 0.00 N ATOM 87 CA ILE A 6 -0.753 -3.435 7.147 1.00 0.00 C ATOM 88 C ILE A 6 0.572 -2.673 7.220 1.00 0.00 C ATOM 89 O ILE A 6 1.136 -2.503 8.300 1.00 0.00 O ATOM 90 CB ILE A 6 -1.980 -2.526 7.055 1.00 0.00 C ATOM 91 CG1 ILE A 6 -2.928 -2.995 5.950 1.00 0.00 C ATOM 92 CG2 ILE A 6 -1.568 -1.064 6.875 1.00 0.00 C ATOM 93 CD1 ILE A 6 -4.099 -3.789 6.532 1.00 0.00 C ATOM 0 H ILE A 6 -0.251 -4.083 9.075 1.00 0.00 H new ATOM 0 HA ILE A 6 -0.741 -4.010 6.221 1.00 0.00 H new ATOM 0 HB ILE A 6 -2.525 -2.592 7.997 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -3.306 -2.133 5.400 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -2.383 -3.614 5.237 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -2.459 -0.440 6.812 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -0.963 -0.749 7.725 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -0.987 -0.960 5.959 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -4.757 -4.110 5.725 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -3.719 -4.663 7.060 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -4.656 -3.160 7.226 1.00 0.00 H new ATOM 105 N LEU A 7 1.031 -2.234 6.057 1.00 0.00 N ATOM 106 CA LEU A 7 2.279 -1.494 5.975 1.00 0.00 C ATOM 107 C LEU A 7 2.069 -0.242 5.122 1.00 0.00 C ATOM 108 O LEU A 7 1.332 -0.273 4.138 1.00 0.00 O ATOM 109 CB LEU A 7 3.406 -2.399 5.474 1.00 0.00 C ATOM 110 CG LEU A 7 4.669 -2.438 6.338 1.00 0.00 C ATOM 111 CD1 LEU A 7 4.593 -3.568 7.367 1.00 0.00 C ATOM 112 CD2 LEU A 7 5.924 -2.537 5.469 1.00 0.00 C ATOM 0 H LEU A 7 0.561 -2.377 5.163 1.00 0.00 H new ATOM 0 HA LEU A 7 2.589 -1.157 6.964 1.00 0.00 H new ATOM 0 HB2 LEU A 7 3.018 -3.414 5.386 1.00 0.00 H new ATOM 0 HB3 LEU A 7 3.686 -2.077 4.471 1.00 0.00 H new ATOM 0 HG LEU A 7 4.734 -1.502 6.892 1.00 0.00 H new ATOM 0 HD11 LEU A 7 5.502 -3.574 7.968 1.00 0.00 H new ATOM 0 HD12 LEU A 7 3.730 -3.413 8.015 1.00 0.00 H new ATOM 0 HD13 LEU A 7 4.492 -4.523 6.852 1.00 0.00 H new ATOM 0 HD21 LEU A 7 6.807 -2.563 6.107 1.00 0.00 H new ATOM 0 HD22 LEU A 7 5.881 -3.447 4.871 1.00 0.00 H new ATOM 0 HD23 LEU A 7 5.979 -1.671 4.809 1.00 0.00 H new ATOM 124 N ILE A 8 2.732 0.831 5.529 1.00 0.00 N ATOM 125 CA ILE A 8 2.628 2.091 4.814 1.00 0.00 C ATOM 126 C ILE A 8 4.028 2.569 4.425 1.00 0.00 C ATOM 127 O ILE A 8 4.833 2.913 5.289 1.00 0.00 O ATOM 128 CB ILE A 8 1.836 3.110 5.636 1.00 0.00 C ATOM 129 CG1 ILE A 8 0.360 2.716 5.724 1.00 0.00 C ATOM 130 CG2 ILE A 8 2.020 4.524 5.081 1.00 0.00 C ATOM 131 CD1 ILE A 8 -0.290 3.302 6.979 1.00 0.00 C ATOM 0 H ILE A 8 3.343 0.853 6.345 1.00 0.00 H new ATOM 0 HA ILE A 8 2.068 1.959 3.888 1.00 0.00 H new ATOM 0 HB ILE A 8 2.230 3.109 6.652 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -0.168 3.069 4.838 1.00 0.00 H new ATOM 0 HG13 ILE A 8 0.270 1.630 5.737 1.00 0.00 H new ATOM 0 HG21 ILE A 8 1.447 5.229 5.683 1.00 0.00 H new ATOM 0 HG22 ILE A 8 3.076 4.793 5.114 1.00 0.00 H new ATOM 0 HG23 ILE A 8 1.669 4.559 4.050 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -1.339 3.007 7.017 1.00 0.00 H new ATOM 0 HD12 ILE A 8 0.225 2.928 7.864 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -0.220 4.389 6.951 1.00 0.00 H new ATOM 143 N VAL A 9 4.276 2.576 3.123 1.00 0.00 N ATOM 144 CA VAL A 9 5.565 3.006 2.609 1.00 0.00 C ATOM 145 C VAL A 9 5.384 4.292 1.801 1.00 0.00 C ATOM 146 O VAL A 9 4.493 4.378 0.957 1.00 0.00 O ATOM 147 CB VAL A 9 6.210 1.878 1.801 1.00 0.00 C ATOM 148 CG1 VAL A 9 7.552 2.320 1.216 1.00 0.00 C ATOM 149 CG2 VAL A 9 6.371 0.617 2.653 1.00 0.00 C ATOM 0 H VAL A 9 3.606 2.291 2.409 1.00 0.00 H new ATOM 0 HA VAL A 9 6.247 3.231 3.429 1.00 0.00 H new ATOM 0 HB VAL A 9 5.546 1.639 0.970 1.00 0.00 H new ATOM 0 HG11 VAL A 9 7.989 1.499 0.647 1.00 0.00 H new ATOM 0 HG12 VAL A 9 7.398 3.176 0.559 1.00 0.00 H new ATOM 0 HG13 VAL A 9 8.227 2.600 2.025 1.00 0.00 H new ATOM 0 HG21 VAL A 9 6.832 -0.170 2.055 1.00 0.00 H new ATOM 0 HG22 VAL A 9 7.004 0.837 3.513 1.00 0.00 H new ATOM 0 HG23 VAL A 9 5.392 0.284 2.999 1.00 0.00 H new ATOM 159 N ASP A 10 6.243 5.259 2.087 1.00 0.00 N ATOM 160 CA ASP A 10 6.188 6.537 1.397 1.00 0.00 C ATOM 161 C ASP A 10 4.757 7.076 1.442 1.00 0.00 C ATOM 162 O ASP A 10 3.859 6.420 1.969 1.00 0.00 O ATOM 163 CB ASP A 10 6.591 6.387 -0.072 1.00 0.00 C ATOM 164 CG ASP A 10 7.835 5.531 -0.317 1.00 0.00 C ATOM 165 OD1 ASP A 10 8.561 5.289 0.671 1.00 0.00 O ATOM 166 OD2 ASP A 10 8.031 5.137 -1.487 1.00 0.00 O ATOM 0 H ASP A 10 6.981 5.184 2.787 1.00 0.00 H new ATOM 0 HA ASP A 10 6.879 7.218 1.893 1.00 0.00 H new ATOM 0 HB2 ASP A 10 5.755 5.952 -0.620 1.00 0.00 H new ATOM 0 HB3 ASP A 10 6.763 7.379 -0.489 1.00 0.00 H new ATOM 171 N ASP A 11 4.589 8.265 0.884 1.00 0.00 N ATOM 172 CA ASP A 11 3.282 8.899 0.854 1.00 0.00 C ATOM 173 C ASP A 11 2.870 9.276 2.278 1.00 0.00 C ATOM 174 O ASP A 11 1.734 9.686 2.512 1.00 0.00 O ATOM 175 CB ASP A 11 2.222 7.951 0.290 1.00 0.00 C ATOM 176 CG ASP A 11 0.989 8.637 -0.301 1.00 0.00 C ATOM 177 OD1 ASP A 11 0.103 9.002 0.501 1.00 0.00 O ATOM 178 OD2 ASP A 11 0.961 8.781 -1.543 1.00 0.00 O ATOM 0 H ASP A 11 5.336 8.806 0.449 1.00 0.00 H new ATOM 0 HA ASP A 11 3.350 9.782 0.218 1.00 0.00 H new ATOM 0 HB2 ASP A 11 2.682 7.335 -0.483 1.00 0.00 H new ATOM 0 HB3 ASP A 11 1.899 7.278 1.084 1.00 0.00 H new ATOM 183 N GLN A 12 3.816 9.124 3.193 1.00 0.00 N ATOM 184 CA GLN A 12 3.566 9.443 4.589 1.00 0.00 C ATOM 185 C GLN A 12 3.607 10.958 4.803 1.00 0.00 C ATOM 186 O GLN A 12 4.655 11.582 4.644 1.00 0.00 O ATOM 187 CB GLN A 12 4.567 8.733 5.502 1.00 0.00 C ATOM 188 CG GLN A 12 5.985 8.822 4.935 1.00 0.00 C ATOM 189 CD GLN A 12 7.026 8.809 6.057 1.00 0.00 C ATOM 190 OE1 GLN A 12 7.816 7.890 6.195 1.00 0.00 O ATOM 191 NE2 GLN A 12 6.982 9.877 6.848 1.00 0.00 N ATOM 0 H GLN A 12 4.757 8.784 2.995 1.00 0.00 H new ATOM 0 HA GLN A 12 2.570 9.086 4.850 1.00 0.00 H new ATOM 0 HB2 GLN A 12 4.540 9.181 6.495 1.00 0.00 H new ATOM 0 HB3 GLN A 12 4.282 7.687 5.616 1.00 0.00 H new ATOM 0 HG2 GLN A 12 6.163 7.986 4.259 1.00 0.00 H new ATOM 0 HG3 GLN A 12 6.089 9.734 4.348 1.00 0.00 H new ATOM 0 HE21 GLN A 12 6.295 10.611 6.676 1.00 0.00 H new ATOM 0 HE22 GLN A 12 7.636 9.962 7.626 1.00 0.00 H new ATOM 200 N TYR A 13 2.454 11.505 5.159 1.00 0.00 N ATOM 201 CA TYR A 13 2.346 12.934 5.396 1.00 0.00 C ATOM 202 C TYR A 13 1.082 13.264 6.193 1.00 0.00 C ATOM 203 O TYR A 13 0.540 14.362 6.079 1.00 0.00 O ATOM 204 CB TYR A 13 2.247 13.585 4.015 1.00 0.00 C ATOM 205 CG TYR A 13 3.299 14.666 3.759 1.00 0.00 C ATOM 206 CD1 TYR A 13 3.329 15.799 4.546 1.00 0.00 C ATOM 207 CD2 TYR A 13 4.217 14.508 2.741 1.00 0.00 C ATOM 208 CE1 TYR A 13 4.319 16.817 4.305 1.00 0.00 C ATOM 209 CE2 TYR A 13 5.207 15.525 2.501 1.00 0.00 C ATOM 210 CZ TYR A 13 5.210 16.629 3.295 1.00 0.00 C ATOM 211 OH TYR A 13 6.145 17.590 3.067 1.00 0.00 O ATOM 0 H TYR A 13 1.587 10.984 5.289 1.00 0.00 H new ATOM 0 HA TYR A 13 3.202 13.293 5.967 1.00 0.00 H new ATOM 0 HB2 TYR A 13 2.343 12.812 3.253 1.00 0.00 H new ATOM 0 HB3 TYR A 13 1.256 14.023 3.902 1.00 0.00 H new ATOM 0 HD1 TYR A 13 2.610 15.922 5.343 1.00 0.00 H new ATOM 0 HD2 TYR A 13 4.193 13.622 2.124 1.00 0.00 H new ATOM 0 HE1 TYR A 13 4.353 17.709 4.913 1.00 0.00 H new ATOM 0 HE2 TYR A 13 5.931 15.414 1.708 1.00 0.00 H new ATOM 0 HH TYR A 13 6.714 17.321 2.316 1.00 0.00 H new ATOM 221 N GLY A 14 0.649 12.292 6.983 1.00 0.00 N ATOM 222 CA GLY A 14 -0.540 12.465 7.799 1.00 0.00 C ATOM 223 C GLY A 14 -1.691 11.599 7.281 1.00 0.00 C ATOM 224 O GLY A 14 -2.735 11.499 7.924 1.00 0.00 O ATOM 0 H GLY A 14 1.101 11.382 7.075 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -0.318 12.200 8.833 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -0.839 13.513 7.795 1.00 0.00 H new ATOM 228 N ILE A 15 -1.461 10.997 6.124 1.00 0.00 N ATOM 229 CA ILE A 15 -2.466 10.144 5.512 1.00 0.00 C ATOM 230 C ILE A 15 -2.265 8.704 5.990 1.00 0.00 C ATOM 231 O ILE A 15 -3.234 7.981 6.218 1.00 0.00 O ATOM 232 CB ILE A 15 -2.442 10.295 3.990 1.00 0.00 C ATOM 233 CG1 ILE A 15 -2.593 11.762 3.582 1.00 0.00 C ATOM 234 CG2 ILE A 15 -3.501 9.406 3.334 1.00 0.00 C ATOM 235 CD1 ILE A 15 -1.463 12.190 2.644 1.00 0.00 C ATOM 0 H ILE A 15 -0.594 11.083 5.594 1.00 0.00 H new ATOM 0 HA ILE A 15 -3.465 10.448 5.824 1.00 0.00 H new ATOM 0 HB ILE A 15 -1.470 9.959 3.629 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -3.554 11.909 3.090 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -2.591 12.392 4.471 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -3.463 9.532 2.252 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -3.307 8.363 3.585 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -4.489 9.688 3.697 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -1.595 13.237 2.370 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -0.505 12.065 3.148 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -1.483 11.574 1.745 1.00 0.00 H new ATOM 247 N ARG A 16 -1.002 8.331 6.128 1.00 0.00 N ATOM 248 CA ARG A 16 -0.662 6.990 6.574 1.00 0.00 C ATOM 249 C ARG A 16 -1.353 6.683 7.905 1.00 0.00 C ATOM 250 O ARG A 16 -1.818 5.565 8.123 1.00 0.00 O ATOM 251 CB ARG A 16 0.850 6.833 6.745 1.00 0.00 C ATOM 252 CG ARG A 16 1.439 8.008 7.529 1.00 0.00 C ATOM 253 CD ARG A 16 2.863 7.697 7.995 1.00 0.00 C ATOM 254 NE ARG A 16 2.829 7.039 9.320 1.00 0.00 N ATOM 255 CZ ARG A 16 2.787 7.698 10.486 1.00 0.00 C ATOM 256 NH1 ARG A 16 2.773 9.038 10.497 1.00 0.00 N ATOM 257 NH2 ARG A 16 2.759 7.018 11.640 1.00 0.00 N ATOM 0 H ARG A 16 -0.201 8.934 5.939 1.00 0.00 H new ATOM 0 HA ARG A 16 -1.005 6.290 5.812 1.00 0.00 H new ATOM 0 HB2 ARG A 16 1.066 5.900 7.265 1.00 0.00 H new ATOM 0 HB3 ARG A 16 1.325 6.770 5.766 1.00 0.00 H new ATOM 0 HG2 ARG A 16 1.444 8.901 6.904 1.00 0.00 H new ATOM 0 HG3 ARG A 16 0.810 8.226 8.392 1.00 0.00 H new ATOM 0 HD2 ARG A 16 3.358 7.050 7.271 1.00 0.00 H new ATOM 0 HD3 ARG A 16 3.445 8.617 8.051 1.00 0.00 H new ATOM 0 HE ARG A 16 2.838 6.019 9.347 1.00 0.00 H new ATOM 0 HH11 ARG A 16 2.794 9.555 9.618 1.00 0.00 H new ATOM 0 HH12 ARG A 16 2.741 9.540 11.384 1.00 0.00 H new ATOM 0 HH21 ARG A 16 2.770 5.998 11.631 1.00 0.00 H new ATOM 0 HH22 ARG A 16 2.727 7.520 12.527 1.00 0.00 H new ATOM 271 N ILE A 17 -1.397 7.695 8.759 1.00 0.00 N ATOM 272 CA ILE A 17 -2.024 7.547 10.062 1.00 0.00 C ATOM 273 C ILE A 17 -3.532 7.370 9.881 1.00 0.00 C ATOM 274 O ILE A 17 -4.141 6.511 10.517 1.00 0.00 O ATOM 275 CB ILE A 17 -1.646 8.716 10.974 1.00 0.00 C ATOM 276 CG1 ILE A 17 -0.130 8.800 11.158 1.00 0.00 C ATOM 277 CG2 ILE A 17 -2.383 8.628 12.312 1.00 0.00 C ATOM 278 CD1 ILE A 17 0.333 10.257 11.233 1.00 0.00 C ATOM 0 H ILE A 17 -1.009 8.620 8.575 1.00 0.00 H new ATOM 0 HA ILE A 17 -1.656 6.651 10.562 1.00 0.00 H new ATOM 0 HB ILE A 17 -1.963 9.641 10.493 1.00 0.00 H new ATOM 0 HG12 ILE A 17 0.159 8.275 12.069 1.00 0.00 H new ATOM 0 HG13 ILE A 17 0.369 8.298 10.329 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -2.096 9.471 12.941 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -3.459 8.655 12.137 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -2.120 7.696 12.812 1.00 0.00 H new ATOM 0 HD11 ILE A 17 1.415 10.289 11.364 1.00 0.00 H new ATOM 0 HD12 ILE A 17 0.064 10.772 10.311 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -0.149 10.749 12.078 1.00 0.00 H new ATOM 290 N LEU A 18 -4.092 8.196 9.009 1.00 0.00 N ATOM 291 CA LEU A 18 -5.518 8.142 8.736 1.00 0.00 C ATOM 292 C LEU A 18 -5.950 6.681 8.588 1.00 0.00 C ATOM 293 O LEU A 18 -6.826 6.213 9.313 1.00 0.00 O ATOM 294 CB LEU A 18 -5.866 9.012 7.527 1.00 0.00 C ATOM 295 CG LEU A 18 -7.309 9.514 7.454 1.00 0.00 C ATOM 296 CD1 LEU A 18 -7.444 10.891 8.107 1.00 0.00 C ATOM 297 CD2 LEU A 18 -7.819 9.511 6.011 1.00 0.00 C ATOM 0 H LEU A 18 -3.584 8.906 8.482 1.00 0.00 H new ATOM 0 HA LEU A 18 -6.081 8.558 9.571 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -5.201 9.876 7.523 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -5.654 8.443 6.622 1.00 0.00 H new ATOM 0 HG LEU A 18 -7.939 8.827 8.019 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -8.480 11.225 8.041 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -7.149 10.828 9.154 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -6.800 11.603 7.591 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -8.847 9.872 5.988 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -7.192 10.162 5.402 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -7.782 8.497 5.614 1.00 0.00 H new ATOM 309 N LEU A 19 -5.314 6.003 7.644 1.00 0.00 N ATOM 310 CA LEU A 19 -5.621 4.606 7.391 1.00 0.00 C ATOM 311 C LEU A 19 -5.078 3.753 8.540 1.00 0.00 C ATOM 312 O LEU A 19 -5.546 2.637 8.764 1.00 0.00 O ATOM 313 CB LEU A 19 -5.104 4.184 6.014 1.00 0.00 C ATOM 314 CG LEU A 19 -3.722 4.714 5.626 1.00 0.00 C ATOM 315 CD1 LEU A 19 -2.845 3.596 5.060 1.00 0.00 C ATOM 316 CD2 LEU A 19 -3.840 5.895 4.660 1.00 0.00 C ATOM 0 H LEU A 19 -4.587 6.395 7.045 1.00 0.00 H new ATOM 0 HA LEU A 19 -6.700 4.452 7.361 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -5.078 3.095 5.976 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -5.822 4.512 5.262 1.00 0.00 H new ATOM 0 HG LEU A 19 -3.232 5.082 6.527 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -1.869 4.000 4.792 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -2.721 2.815 5.810 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -3.319 3.175 4.173 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.844 6.253 4.400 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -4.358 5.575 3.756 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -4.402 6.699 5.135 1.00 0.00 H new ATOM 328 N ASN A 20 -4.099 4.310 9.237 1.00 0.00 N ATOM 329 CA ASN A 20 -3.488 3.615 10.356 1.00 0.00 C ATOM 330 C ASN A 20 -4.516 3.460 11.478 1.00 0.00 C ATOM 331 O ASN A 20 -4.831 2.343 11.887 1.00 0.00 O ATOM 332 CB ASN A 20 -2.299 4.402 10.911 1.00 0.00 C ATOM 333 CG ASN A 20 -1.470 3.542 11.867 1.00 0.00 C ATOM 334 OD1 ASN A 20 -1.708 2.359 12.044 1.00 0.00 O ATOM 335 ND2 ASN A 20 -0.486 4.202 12.473 1.00 0.00 N ATOM 0 H ASN A 20 -3.714 5.235 9.048 1.00 0.00 H new ATOM 0 HA ASN A 20 -3.144 2.643 10.001 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -1.671 4.747 10.089 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -2.657 5.289 11.433 1.00 0.00 H new ATOM 0 HD21 ASN A 20 0.124 3.717 13.131 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -0.342 5.193 12.279 1.00 0.00 H new ATOM 342 N GLU A 21 -5.012 4.597 11.944 1.00 0.00 N ATOM 343 CA GLU A 21 -5.999 4.602 13.011 1.00 0.00 C ATOM 344 C GLU A 21 -7.182 3.703 12.644 1.00 0.00 C ATOM 345 O GLU A 21 -7.893 3.218 13.522 1.00 0.00 O ATOM 346 CB GLU A 21 -6.466 6.025 13.319 1.00 0.00 C ATOM 347 CG GLU A 21 -7.432 6.041 14.506 1.00 0.00 C ATOM 348 CD GLU A 21 -7.446 7.413 15.183 1.00 0.00 C ATOM 349 OE1 GLU A 21 -6.338 7.948 15.403 1.00 0.00 O ATOM 350 OE2 GLU A 21 -8.564 7.894 15.466 1.00 0.00 O ATOM 0 H GLU A 21 -4.749 5.521 11.602 1.00 0.00 H new ATOM 0 HA GLU A 21 -5.533 4.205 13.913 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -5.604 6.655 13.539 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -6.955 6.449 12.442 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -8.436 5.789 14.165 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -7.140 5.278 15.228 1.00 0.00 H new ATOM 357 N VAL A 22 -7.355 3.509 11.345 1.00 0.00 N ATOM 358 CA VAL A 22 -8.439 2.678 10.851 1.00 0.00 C ATOM 359 C VAL A 22 -8.140 1.212 11.172 1.00 0.00 C ATOM 360 O VAL A 22 -8.972 0.518 11.756 1.00 0.00 O ATOM 361 CB VAL A 22 -8.653 2.930 9.357 1.00 0.00 C ATOM 362 CG1 VAL A 22 -9.661 1.938 8.772 1.00 0.00 C ATOM 363 CG2 VAL A 22 -9.093 4.373 9.102 1.00 0.00 C ATOM 0 H VAL A 22 -6.763 3.913 10.620 1.00 0.00 H new ATOM 0 HA VAL A 22 -9.374 2.936 11.348 1.00 0.00 H new ATOM 0 HB VAL A 22 -7.700 2.776 8.852 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -9.795 2.139 7.709 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -9.290 0.922 8.905 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -10.617 2.046 9.285 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -9.238 4.526 8.033 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -10.029 4.566 9.626 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -8.326 5.057 9.465 1.00 0.00 H new ATOM 373 N PHE A 23 -6.950 0.784 10.778 1.00 0.00 N ATOM 374 CA PHE A 23 -6.530 -0.586 11.017 1.00 0.00 C ATOM 375 C PHE A 23 -6.076 -0.776 12.466 1.00 0.00 C ATOM 376 O PHE A 23 -6.180 -1.871 13.015 1.00 0.00 O ATOM 377 CB PHE A 23 -5.349 -0.862 10.084 1.00 0.00 C ATOM 378 CG PHE A 23 -5.745 -1.047 8.618 1.00 0.00 C ATOM 379 CD1 PHE A 23 -6.724 -1.930 8.284 1.00 0.00 C ATOM 380 CD2 PHE A 23 -5.117 -0.329 7.648 1.00 0.00 C ATOM 381 CE1 PHE A 23 -7.091 -2.102 6.923 1.00 0.00 C ATOM 382 CE2 PHE A 23 -5.484 -0.501 6.287 1.00 0.00 C ATOM 383 CZ PHE A 23 -6.463 -1.384 5.953 1.00 0.00 C ATOM 0 H PHE A 23 -6.263 1.362 10.294 1.00 0.00 H new ATOM 0 HA PHE A 23 -7.361 -1.267 10.833 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -4.641 -0.037 10.157 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -4.831 -1.758 10.426 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -7.222 -2.500 9.054 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -4.339 0.372 7.913 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -7.869 -2.803 6.658 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -4.986 0.069 5.517 1.00 0.00 H new ATOM 0 HZ PHE A 23 -6.742 -1.515 4.918 1.00 0.00 H new ATOM 393 N ASN A 24 -5.581 0.309 13.043 1.00 0.00 N ATOM 394 CA ASN A 24 -5.110 0.276 14.418 1.00 0.00 C ATOM 395 C ASN A 24 -6.311 0.211 15.363 1.00 0.00 C ATOM 396 O ASN A 24 -6.239 -0.410 16.422 1.00 0.00 O ATOM 397 CB ASN A 24 -4.310 1.536 14.756 1.00 0.00 C ATOM 398 CG ASN A 24 -3.138 1.208 15.683 1.00 0.00 C ATOM 399 OD1 ASN A 24 -2.007 1.034 15.259 1.00 0.00 O ATOM 400 ND2 ASN A 24 -3.469 1.135 16.969 1.00 0.00 N ATOM 0 H ASN A 24 -5.496 1.216 12.584 1.00 0.00 H new ATOM 0 HA ASN A 24 -4.471 -0.599 14.535 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -3.937 1.991 13.839 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -4.962 2.268 15.233 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -2.757 0.922 17.668 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -4.435 1.292 17.257 1.00 0.00 H new ATOM 407 N LYS A 25 -7.388 0.860 14.945 1.00 0.00 N ATOM 408 CA LYS A 25 -8.603 0.883 15.741 1.00 0.00 C ATOM 409 C LYS A 25 -9.003 -0.550 16.096 1.00 0.00 C ATOM 410 O LYS A 25 -9.739 -0.774 17.055 1.00 0.00 O ATOM 411 CB LYS A 25 -9.701 1.667 15.019 1.00 0.00 C ATOM 412 CG LYS A 25 -9.858 3.067 15.615 1.00 0.00 C ATOM 413 CD LYS A 25 -11.105 3.761 15.064 1.00 0.00 C ATOM 414 CE LYS A 25 -12.322 3.484 15.949 1.00 0.00 C ATOM 415 NZ LYS A 25 -13.569 3.571 15.156 1.00 0.00 N ATOM 0 H LYS A 25 -7.444 1.374 14.066 1.00 0.00 H new ATOM 0 HA LYS A 25 -8.433 1.408 16.681 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -9.460 1.744 13.959 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -10.646 1.128 15.093 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -9.926 2.998 16.701 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -8.975 3.664 15.388 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -10.931 4.835 15.004 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -11.301 3.413 14.050 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -12.236 2.494 16.396 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -12.354 4.202 16.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -14.386 3.380 15.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -13.656 4.524 14.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -13.542 2.869 14.389 1.00 0.00 H new ATOM 429 N GLU A 26 -8.500 -1.485 15.302 1.00 0.00 N ATOM 430 CA GLU A 26 -8.795 -2.891 15.521 1.00 0.00 C ATOM 431 C GLU A 26 -7.705 -3.535 16.379 1.00 0.00 C ATOM 432 O GLU A 26 -7.929 -4.576 16.995 1.00 0.00 O ATOM 433 CB GLU A 26 -8.955 -3.630 14.191 1.00 0.00 C ATOM 434 CG GLU A 26 -10.075 -3.013 13.351 1.00 0.00 C ATOM 435 CD GLU A 26 -11.248 -3.983 13.203 1.00 0.00 C ATOM 436 OE1 GLU A 26 -11.794 -4.380 14.255 1.00 0.00 O ATOM 437 OE2 GLU A 26 -11.573 -4.307 12.040 1.00 0.00 O ATOM 0 H GLU A 26 -7.890 -1.296 14.506 1.00 0.00 H new ATOM 0 HA GLU A 26 -9.741 -2.965 16.057 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -8.018 -3.594 13.636 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -9.174 -4.681 14.379 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -10.419 -2.090 13.818 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -9.691 -2.748 12.366 1.00 0.00 H new ATOM 444 N GLY A 27 -6.548 -2.889 16.392 1.00 0.00 N ATOM 445 CA GLY A 27 -5.422 -3.386 17.165 1.00 0.00 C ATOM 446 C GLY A 27 -4.402 -4.082 16.261 1.00 0.00 C ATOM 447 O GLY A 27 -3.610 -4.899 16.728 1.00 0.00 O ATOM 0 H GLY A 27 -6.366 -2.026 15.880 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -4.944 -2.559 17.690 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -5.777 -4.083 17.924 1.00 0.00 H new ATOM 451 N TYR A 28 -4.454 -3.732 14.985 1.00 0.00 N ATOM 452 CA TYR A 28 -3.544 -4.312 14.012 1.00 0.00 C ATOM 453 C TYR A 28 -2.176 -3.628 14.064 1.00 0.00 C ATOM 454 O TYR A 28 -2.082 -2.443 14.379 1.00 0.00 O ATOM 455 CB TYR A 28 -4.175 -4.060 12.641 1.00 0.00 C ATOM 456 CG TYR A 28 -5.605 -4.588 12.508 1.00 0.00 C ATOM 457 CD1 TYR A 28 -6.079 -5.530 13.398 1.00 0.00 C ATOM 458 CD2 TYR A 28 -6.421 -4.122 11.497 1.00 0.00 C ATOM 459 CE1 TYR A 28 -7.424 -6.026 13.273 1.00 0.00 C ATOM 460 CE2 TYR A 28 -7.767 -4.619 11.372 1.00 0.00 C ATOM 461 CZ TYR A 28 -8.202 -5.547 12.266 1.00 0.00 C ATOM 462 OH TYR A 28 -9.473 -6.016 12.147 1.00 0.00 O ATOM 0 H TYR A 28 -5.112 -3.054 14.602 1.00 0.00 H new ATOM 0 HA TYR A 28 -3.392 -5.372 14.214 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -4.175 -2.988 12.444 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -3.554 -4.525 11.875 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -5.440 -5.895 14.189 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -6.050 -3.385 10.800 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -7.807 -6.763 13.964 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -8.416 -4.263 10.586 1.00 0.00 H new ATOM 0 HH TYR A 28 -10.006 -5.386 11.618 1.00 0.00 H new ATOM 472 N GLN A 29 -1.150 -4.405 13.749 1.00 0.00 N ATOM 473 CA GLN A 29 0.209 -3.889 13.756 1.00 0.00 C ATOM 474 C GLN A 29 0.571 -3.329 12.379 1.00 0.00 C ATOM 475 O GLN A 29 0.577 -4.060 11.390 1.00 0.00 O ATOM 476 CB GLN A 29 1.203 -4.968 14.188 1.00 0.00 C ATOM 477 CG GLN A 29 1.984 -4.529 15.429 1.00 0.00 C ATOM 478 CD GLN A 29 2.660 -5.725 16.102 1.00 0.00 C ATOM 479 OE1 GLN A 29 3.781 -6.094 15.792 1.00 0.00 O ATOM 480 NE2 GLN A 29 1.918 -6.309 17.039 1.00 0.00 N ATOM 0 H GLN A 29 -1.232 -5.387 13.487 1.00 0.00 H new ATOM 0 HA GLN A 29 0.265 -3.078 14.482 1.00 0.00 H new ATOM 0 HB2 GLN A 29 0.670 -5.895 14.399 1.00 0.00 H new ATOM 0 HB3 GLN A 29 1.896 -5.177 13.373 1.00 0.00 H new ATOM 0 HG2 GLN A 29 2.736 -3.792 15.148 1.00 0.00 H new ATOM 0 HG3 GLN A 29 1.310 -4.043 16.134 1.00 0.00 H new ATOM 0 HE21 GLN A 29 0.987 -5.950 17.250 1.00 0.00 H new ATOM 0 HE22 GLN A 29 2.280 -7.116 17.547 1.00 0.00 H new ATOM 489 N THR A 30 0.864 -2.037 12.359 1.00 0.00 N ATOM 490 CA THR A 30 1.227 -1.371 11.120 1.00 0.00 C ATOM 491 C THR A 30 2.625 -0.761 11.232 1.00 0.00 C ATOM 492 O THR A 30 3.015 -0.283 12.296 1.00 0.00 O ATOM 493 CB THR A 30 0.139 -0.344 10.800 1.00 0.00 C ATOM 494 OG1 THR A 30 -0.039 0.366 12.022 1.00 0.00 O ATOM 495 CG2 THR A 30 -1.223 -0.993 10.544 1.00 0.00 C ATOM 0 H THR A 30 0.857 -1.434 13.181 1.00 0.00 H new ATOM 0 HA THR A 30 1.281 -2.078 10.292 1.00 0.00 H new ATOM 0 HB THR A 30 0.434 0.236 9.926 1.00 0.00 H new ATOM 0 HG1 THR A 30 -0.462 1.231 11.839 1.00 0.00 H new ATOM 0 HG21 THR A 30 -1.958 -0.220 10.322 1.00 0.00 H new ATOM 0 HG22 THR A 30 -1.147 -1.676 9.698 1.00 0.00 H new ATOM 0 HG23 THR A 30 -1.535 -1.546 11.430 1.00 0.00 H new ATOM 503 N PHE A 31 3.342 -0.796 10.118 1.00 0.00 N ATOM 504 CA PHE A 31 4.689 -0.252 10.077 1.00 0.00 C ATOM 505 C PHE A 31 4.850 0.727 8.912 1.00 0.00 C ATOM 506 O PHE A 31 4.019 0.761 8.006 1.00 0.00 O ATOM 507 CB PHE A 31 5.642 -1.431 9.873 1.00 0.00 C ATOM 508 CG PHE A 31 6.789 -1.486 10.884 1.00 0.00 C ATOM 509 CD1 PHE A 31 7.948 -0.819 10.634 1.00 0.00 C ATOM 510 CD2 PHE A 31 6.651 -2.203 12.031 1.00 0.00 C ATOM 511 CE1 PHE A 31 9.013 -0.870 11.572 1.00 0.00 C ATOM 512 CE2 PHE A 31 7.716 -2.254 12.969 1.00 0.00 C ATOM 513 CZ PHE A 31 8.875 -1.586 12.719 1.00 0.00 C ATOM 0 H PHE A 31 3.015 -1.193 9.237 1.00 0.00 H new ATOM 0 HA PHE A 31 4.901 0.287 11.001 1.00 0.00 H new ATOM 0 HB2 PHE A 31 5.074 -2.359 9.933 1.00 0.00 H new ATOM 0 HB3 PHE A 31 6.060 -1.378 8.868 1.00 0.00 H new ATOM 0 HD1 PHE A 31 8.058 -0.251 9.722 1.00 0.00 H new ATOM 0 HD2 PHE A 31 5.731 -2.734 12.229 1.00 0.00 H new ATOM 0 HE1 PHE A 31 9.933 -0.340 11.374 1.00 0.00 H new ATOM 0 HE2 PHE A 31 7.606 -2.823 13.881 1.00 0.00 H new ATOM 0 HZ PHE A 31 9.685 -1.625 13.432 1.00 0.00 H new ATOM 523 N GLN A 32 5.926 1.498 8.974 1.00 0.00 N ATOM 524 CA GLN A 32 6.207 2.474 7.935 1.00 0.00 C ATOM 525 C GLN A 32 7.623 2.276 7.389 1.00 0.00 C ATOM 526 O GLN A 32 8.530 1.901 8.130 1.00 0.00 O ATOM 527 CB GLN A 32 6.015 3.900 8.455 1.00 0.00 C ATOM 528 CG GLN A 32 6.982 4.868 7.772 1.00 0.00 C ATOM 529 CD GLN A 32 6.510 6.315 7.927 1.00 0.00 C ATOM 530 OE1 GLN A 32 5.740 6.832 7.135 1.00 0.00 O ATOM 531 NE2 GLN A 32 7.013 6.938 8.989 1.00 0.00 N ATOM 0 H GLN A 32 6.613 1.467 9.727 1.00 0.00 H new ATOM 0 HA GLN A 32 5.499 2.321 7.120 1.00 0.00 H new ATOM 0 HB2 GLN A 32 4.988 4.220 8.277 1.00 0.00 H new ATOM 0 HB3 GLN A 32 6.174 3.922 9.533 1.00 0.00 H new ATOM 0 HG2 GLN A 32 7.977 4.758 8.203 1.00 0.00 H new ATOM 0 HG3 GLN A 32 7.064 4.620 6.714 1.00 0.00 H new ATOM 0 HE21 GLN A 32 7.653 6.447 9.613 1.00 0.00 H new ATOM 0 HE22 GLN A 32 6.758 7.907 9.180 1.00 0.00 H new ATOM 540 N ALA A 33 7.767 2.537 6.098 1.00 0.00 N ATOM 541 CA ALA A 33 9.056 2.392 5.445 1.00 0.00 C ATOM 542 C ALA A 33 9.371 3.666 4.658 1.00 0.00 C ATOM 543 O ALA A 33 8.501 4.514 4.470 1.00 0.00 O ATOM 544 CB ALA A 33 9.041 1.146 4.556 1.00 0.00 C ATOM 0 H ALA A 33 7.012 2.848 5.487 1.00 0.00 H new ATOM 0 HA ALA A 33 9.847 2.257 6.183 1.00 0.00 H new ATOM 0 HB1 ALA A 33 10.008 1.037 4.066 1.00 0.00 H new ATOM 0 HB2 ALA A 33 8.843 0.265 5.167 1.00 0.00 H new ATOM 0 HB3 ALA A 33 8.261 1.247 3.801 1.00 0.00 H new ATOM 550 N ALA A 34 10.618 3.759 4.219 1.00 0.00 N ATOM 551 CA ALA A 34 11.058 4.915 3.457 1.00 0.00 C ATOM 552 C ALA A 34 11.713 4.445 2.157 1.00 0.00 C ATOM 553 O ALA A 34 12.775 4.937 1.780 1.00 0.00 O ATOM 554 CB ALA A 34 12.002 5.762 4.313 1.00 0.00 C ATOM 0 H ALA A 34 11.337 3.053 4.377 1.00 0.00 H new ATOM 0 HA ALA A 34 10.209 5.544 3.189 1.00 0.00 H new ATOM 0 HB1 ALA A 34 12.332 6.629 3.741 1.00 0.00 H new ATOM 0 HB2 ALA A 34 11.479 6.096 5.209 1.00 0.00 H new ATOM 0 HB3 ALA A 34 12.868 5.165 4.599 1.00 0.00 H new ATOM 560 N ASN A 35 11.053 3.497 1.508 1.00 0.00 N ATOM 561 CA ASN A 35 11.558 2.954 0.259 1.00 0.00 C ATOM 562 C ASN A 35 10.842 1.637 -0.047 1.00 0.00 C ATOM 563 O ASN A 35 9.919 1.248 0.667 1.00 0.00 O ATOM 564 CB ASN A 35 13.058 2.667 0.349 1.00 0.00 C ATOM 565 CG ASN A 35 13.862 3.691 -0.455 1.00 0.00 C ATOM 566 OD1 ASN A 35 14.692 4.416 0.068 1.00 0.00 O ATOM 567 ND2 ASN A 35 13.569 3.710 -1.752 1.00 0.00 N ATOM 0 H ASN A 35 10.172 3.091 1.824 1.00 0.00 H new ATOM 0 HA ASN A 35 11.378 3.690 -0.525 1.00 0.00 H new ATOM 0 HB2 ASN A 35 13.374 2.689 1.392 1.00 0.00 H new ATOM 0 HB3 ASN A 35 13.263 1.664 -0.025 1.00 0.00 H new ATOM 0 HD21 ASN A 35 14.050 4.359 -2.374 1.00 0.00 H new ATOM 0 HD22 ASN A 35 12.863 3.075 -2.125 1.00 0.00 H new ATOM 574 N GLY A 36 11.295 0.987 -1.108 1.00 0.00 N ATOM 575 CA GLY A 36 10.709 -0.279 -1.517 1.00 0.00 C ATOM 576 C GLY A 36 11.364 -1.449 -0.780 1.00 0.00 C ATOM 577 O GLY A 36 10.675 -2.272 -0.178 1.00 0.00 O ATOM 0 H GLY A 36 12.061 1.313 -1.697 1.00 0.00 H new ATOM 0 HA2 GLY A 36 9.638 -0.271 -1.314 1.00 0.00 H new ATOM 0 HA3 GLY A 36 10.829 -0.409 -2.593 1.00 0.00 H new ATOM 581 N LEU A 37 12.686 -1.486 -0.851 1.00 0.00 N ATOM 582 CA LEU A 37 13.442 -2.542 -0.199 1.00 0.00 C ATOM 583 C LEU A 37 13.036 -2.617 1.275 1.00 0.00 C ATOM 584 O LEU A 37 12.594 -3.663 1.748 1.00 0.00 O ATOM 585 CB LEU A 37 14.943 -2.339 -0.414 1.00 0.00 C ATOM 586 CG LEU A 37 15.719 -3.556 -0.921 1.00 0.00 C ATOM 587 CD1 LEU A 37 16.986 -3.129 -1.663 1.00 0.00 C ATOM 588 CD2 LEU A 37 16.023 -4.527 0.222 1.00 0.00 C ATOM 0 H LEU A 37 13.254 -0.801 -1.350 1.00 0.00 H new ATOM 0 HA LEU A 37 13.209 -3.509 -0.645 1.00 0.00 H new ATOM 0 HB2 LEU A 37 15.081 -1.523 -1.124 1.00 0.00 H new ATOM 0 HB3 LEU A 37 15.385 -2.019 0.529 1.00 0.00 H new ATOM 0 HG LEU A 37 15.092 -4.087 -1.637 1.00 0.00 H new ATOM 0 HD11 LEU A 37 17.518 -4.014 -2.013 1.00 0.00 H new ATOM 0 HD12 LEU A 37 16.716 -2.507 -2.516 1.00 0.00 H new ATOM 0 HD13 LEU A 37 17.628 -2.561 -0.990 1.00 0.00 H new ATOM 0 HD21 LEU A 37 16.575 -5.383 -0.165 1.00 0.00 H new ATOM 0 HD22 LEU A 37 16.622 -4.021 0.979 1.00 0.00 H new ATOM 0 HD23 LEU A 37 15.089 -4.869 0.667 1.00 0.00 H new ATOM 600 N GLN A 38 13.202 -1.495 1.959 1.00 0.00 N ATOM 601 CA GLN A 38 12.859 -1.420 3.369 1.00 0.00 C ATOM 602 C GLN A 38 11.456 -1.984 3.604 1.00 0.00 C ATOM 603 O GLN A 38 11.154 -2.472 4.692 1.00 0.00 O ATOM 604 CB GLN A 38 12.966 0.017 3.884 1.00 0.00 C ATOM 605 CG GLN A 38 14.325 0.263 4.541 1.00 0.00 C ATOM 606 CD GLN A 38 14.688 1.749 4.510 1.00 0.00 C ATOM 607 OE1 GLN A 38 14.512 2.437 3.517 1.00 0.00 O ATOM 608 NE2 GLN A 38 15.203 2.205 5.648 1.00 0.00 N ATOM 0 H GLN A 38 13.570 -0.630 1.563 1.00 0.00 H new ATOM 0 HA GLN A 38 13.572 -2.025 3.929 1.00 0.00 H new ATOM 0 HB2 GLN A 38 12.825 0.715 3.058 1.00 0.00 H new ATOM 0 HB3 GLN A 38 12.170 0.210 4.603 1.00 0.00 H new ATOM 0 HG2 GLN A 38 14.303 -0.088 5.573 1.00 0.00 H new ATOM 0 HG3 GLN A 38 15.092 -0.313 4.024 1.00 0.00 H new ATOM 0 HE21 GLN A 38 15.324 1.576 6.442 1.00 0.00 H new ATOM 0 HE22 GLN A 38 15.477 3.184 5.727 1.00 0.00 H new ATOM 617 N ALA A 39 10.636 -1.897 2.567 1.00 0.00 N ATOM 618 CA ALA A 39 9.273 -2.393 2.647 1.00 0.00 C ATOM 619 C ALA A 39 9.263 -3.895 2.360 1.00 0.00 C ATOM 620 O ALA A 39 8.435 -4.629 2.899 1.00 0.00 O ATOM 621 CB ALA A 39 8.386 -1.608 1.678 1.00 0.00 C ATOM 0 H ALA A 39 10.890 -1.490 1.667 1.00 0.00 H new ATOM 0 HA ALA A 39 8.870 -2.247 3.649 1.00 0.00 H new ATOM 0 HB1 ALA A 39 7.363 -1.980 1.738 1.00 0.00 H new ATOM 0 HB2 ALA A 39 8.404 -0.551 1.944 1.00 0.00 H new ATOM 0 HB3 ALA A 39 8.758 -1.733 0.661 1.00 0.00 H new ATOM 627 N LEU A 40 10.192 -4.310 1.512 1.00 0.00 N ATOM 628 CA LEU A 40 10.301 -5.712 1.146 1.00 0.00 C ATOM 629 C LEU A 40 10.604 -6.538 2.398 1.00 0.00 C ATOM 630 O LEU A 40 10.033 -7.611 2.591 1.00 0.00 O ATOM 631 CB LEU A 40 11.326 -5.895 0.025 1.00 0.00 C ATOM 632 CG LEU A 40 10.815 -5.656 -1.397 1.00 0.00 C ATOM 633 CD1 LEU A 40 11.834 -6.132 -2.434 1.00 0.00 C ATOM 634 CD2 LEU A 40 9.443 -6.302 -1.603 1.00 0.00 C ATOM 0 H LEU A 40 10.877 -3.699 1.067 1.00 0.00 H new ATOM 0 HA LEU A 40 9.356 -6.076 0.744 1.00 0.00 H new ATOM 0 HB2 LEU A 40 12.160 -5.218 0.209 1.00 0.00 H new ATOM 0 HB3 LEU A 40 11.720 -6.910 0.082 1.00 0.00 H new ATOM 0 HG LEU A 40 10.690 -4.582 -1.538 1.00 0.00 H new ATOM 0 HD11 LEU A 40 11.445 -5.950 -3.436 1.00 0.00 H new ATOM 0 HD12 LEU A 40 12.769 -5.587 -2.303 1.00 0.00 H new ATOM 0 HD13 LEU A 40 12.015 -7.199 -2.303 1.00 0.00 H new ATOM 0 HD21 LEU A 40 9.103 -6.117 -2.622 1.00 0.00 H new ATOM 0 HD22 LEU A 40 9.518 -7.376 -1.435 1.00 0.00 H new ATOM 0 HD23 LEU A 40 8.730 -5.873 -0.899 1.00 0.00 H new ATOM 646 N ASP A 41 11.501 -6.008 3.216 1.00 0.00 N ATOM 647 CA ASP A 41 11.887 -6.683 4.443 1.00 0.00 C ATOM 648 C ASP A 41 10.745 -6.580 5.457 1.00 0.00 C ATOM 649 O ASP A 41 10.270 -7.593 5.967 1.00 0.00 O ATOM 650 CB ASP A 41 13.128 -6.037 5.061 1.00 0.00 C ATOM 651 CG ASP A 41 14.144 -7.018 5.649 1.00 0.00 C ATOM 652 OD1 ASP A 41 15.006 -7.477 4.870 1.00 0.00 O ATOM 653 OD2 ASP A 41 14.034 -7.288 6.865 1.00 0.00 O ATOM 0 H ASP A 41 11.972 -5.118 3.053 1.00 0.00 H new ATOM 0 HA ASP A 41 12.105 -7.723 4.201 1.00 0.00 H new ATOM 0 HB2 ASP A 41 13.625 -5.437 4.298 1.00 0.00 H new ATOM 0 HB3 ASP A 41 12.809 -5.353 5.847 1.00 0.00 H new ATOM 658 N ILE A 42 10.339 -5.346 5.719 1.00 0.00 N ATOM 659 CA ILE A 42 9.263 -5.097 6.663 1.00 0.00 C ATOM 660 C ILE A 42 8.003 -5.830 6.198 1.00 0.00 C ATOM 661 O ILE A 42 7.148 -6.179 7.010 1.00 0.00 O ATOM 662 CB ILE A 42 9.062 -3.593 6.862 1.00 0.00 C ATOM 663 CG1 ILE A 42 10.311 -2.948 7.465 1.00 0.00 C ATOM 664 CG2 ILE A 42 7.811 -3.313 7.697 1.00 0.00 C ATOM 665 CD1 ILE A 42 10.093 -2.605 8.940 1.00 0.00 C ATOM 0 H ILE A 42 10.736 -4.508 5.294 1.00 0.00 H new ATOM 0 HA ILE A 42 9.519 -5.493 7.646 1.00 0.00 H new ATOM 0 HB ILE A 42 8.905 -3.137 5.885 1.00 0.00 H new ATOM 0 HG12 ILE A 42 11.158 -3.627 7.367 1.00 0.00 H new ATOM 0 HG13 ILE A 42 10.561 -2.043 6.911 1.00 0.00 H new ATOM 0 HG21 ILE A 42 7.691 -2.237 7.824 1.00 0.00 H new ATOM 0 HG22 ILE A 42 6.936 -3.718 7.189 1.00 0.00 H new ATOM 0 HG23 ILE A 42 7.913 -3.784 8.675 1.00 0.00 H new ATOM 0 HD11 ILE A 42 10.996 -2.148 9.345 1.00 0.00 H new ATOM 0 HD12 ILE A 42 9.260 -1.907 9.032 1.00 0.00 H new ATOM 0 HD13 ILE A 42 9.867 -3.515 9.496 1.00 0.00 H new ATOM 677 N VAL A 43 7.928 -6.042 4.892 1.00 0.00 N ATOM 678 CA VAL A 43 6.787 -6.727 4.309 1.00 0.00 C ATOM 679 C VAL A 43 6.601 -8.079 5.001 1.00 0.00 C ATOM 680 O VAL A 43 5.539 -8.354 5.557 1.00 0.00 O ATOM 681 CB VAL A 43 6.968 -6.850 2.795 1.00 0.00 C ATOM 682 CG1 VAL A 43 6.497 -8.218 2.296 1.00 0.00 C ATOM 683 CG2 VAL A 43 6.244 -5.720 2.062 1.00 0.00 C ATOM 0 H VAL A 43 8.639 -5.751 4.221 1.00 0.00 H new ATOM 0 HA VAL A 43 5.875 -6.152 4.468 1.00 0.00 H new ATOM 0 HB VAL A 43 8.032 -6.762 2.577 1.00 0.00 H new ATOM 0 HG11 VAL A 43 6.637 -8.279 1.217 1.00 0.00 H new ATOM 0 HG12 VAL A 43 7.077 -9.002 2.782 1.00 0.00 H new ATOM 0 HG13 VAL A 43 5.441 -8.348 2.533 1.00 0.00 H new ATOM 0 HG21 VAL A 43 6.389 -5.832 0.987 1.00 0.00 H new ATOM 0 HG22 VAL A 43 5.179 -5.762 2.291 1.00 0.00 H new ATOM 0 HG23 VAL A 43 6.647 -4.760 2.385 1.00 0.00 H new ATOM 693 N THR A 44 7.650 -8.886 4.945 1.00 0.00 N ATOM 694 CA THR A 44 7.616 -10.202 5.559 1.00 0.00 C ATOM 695 C THR A 44 7.754 -10.085 7.078 1.00 0.00 C ATOM 696 O THR A 44 7.128 -10.839 7.822 1.00 0.00 O ATOM 697 CB THR A 44 8.711 -11.054 4.913 1.00 0.00 C ATOM 698 OG1 THR A 44 8.506 -10.880 3.514 1.00 0.00 O ATOM 699 CG2 THR A 44 8.496 -12.552 5.139 1.00 0.00 C ATOM 0 H THR A 44 8.529 -8.654 4.483 1.00 0.00 H new ATOM 0 HA THR A 44 6.658 -10.694 5.388 1.00 0.00 H new ATOM 0 HB THR A 44 9.682 -10.763 5.313 1.00 0.00 H new ATOM 0 HG1 THR A 44 9.175 -11.397 3.019 1.00 0.00 H new ATOM 0 HG21 THR A 44 9.300 -13.111 4.661 1.00 0.00 H new ATOM 0 HG22 THR A 44 8.494 -12.762 6.209 1.00 0.00 H new ATOM 0 HG23 THR A 44 7.540 -12.851 4.709 1.00 0.00 H new ATOM 707 N LYS A 45 8.577 -9.134 7.494 1.00 0.00 N ATOM 708 CA LYS A 45 8.805 -8.908 8.911 1.00 0.00 C ATOM 709 C LYS A 45 7.467 -8.632 9.601 1.00 0.00 C ATOM 710 O LYS A 45 7.220 -9.122 10.702 1.00 0.00 O ATOM 711 CB LYS A 45 9.843 -7.803 9.118 1.00 0.00 C ATOM 712 CG LYS A 45 10.997 -8.292 9.996 1.00 0.00 C ATOM 713 CD LYS A 45 11.302 -7.288 11.109 1.00 0.00 C ATOM 714 CE LYS A 45 12.142 -7.932 12.214 1.00 0.00 C ATOM 715 NZ LYS A 45 13.583 -7.709 11.966 1.00 0.00 N ATOM 0 H LYS A 45 9.094 -8.511 6.874 1.00 0.00 H new ATOM 0 HA LYS A 45 9.226 -9.800 9.376 1.00 0.00 H new ATOM 0 HB2 LYS A 45 10.229 -7.476 8.152 1.00 0.00 H new ATOM 0 HB3 LYS A 45 9.370 -6.937 9.582 1.00 0.00 H new ATOM 0 HG2 LYS A 45 10.743 -9.258 10.432 1.00 0.00 H new ATOM 0 HG3 LYS A 45 11.886 -8.443 9.384 1.00 0.00 H new ATOM 0 HD2 LYS A 45 11.834 -6.432 10.695 1.00 0.00 H new ATOM 0 HD3 LYS A 45 10.370 -6.911 11.529 1.00 0.00 H new ATOM 0 HE2 LYS A 45 11.864 -7.513 13.181 1.00 0.00 H new ATOM 0 HE3 LYS A 45 11.936 -9.001 12.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 14.139 -8.152 12.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 13.847 -8.130 11.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 13.778 -6.688 11.946 1.00 0.00 H new ATOM 729 N GLU A 46 6.640 -7.849 8.925 1.00 0.00 N ATOM 730 CA GLU A 46 5.334 -7.502 9.459 1.00 0.00 C ATOM 731 C GLU A 46 4.244 -8.327 8.773 1.00 0.00 C ATOM 732 O GLU A 46 3.075 -8.254 9.150 1.00 0.00 O ATOM 733 CB GLU A 46 5.062 -6.004 9.313 1.00 0.00 C ATOM 734 CG GLU A 46 5.458 -5.248 10.583 1.00 0.00 C ATOM 735 CD GLU A 46 4.237 -4.604 11.241 1.00 0.00 C ATOM 736 OE1 GLU A 46 3.470 -3.952 10.500 1.00 0.00 O ATOM 737 OE2 GLU A 46 4.097 -4.777 12.471 1.00 0.00 O ATOM 0 H GLU A 46 6.849 -7.445 8.012 1.00 0.00 H new ATOM 0 HA GLU A 46 5.324 -7.737 10.523 1.00 0.00 H new ATOM 0 HB2 GLU A 46 5.619 -5.611 8.463 1.00 0.00 H new ATOM 0 HB3 GLU A 46 4.005 -5.842 9.104 1.00 0.00 H new ATOM 0 HG2 GLU A 46 5.935 -5.933 11.284 1.00 0.00 H new ATOM 0 HG3 GLU A 46 6.192 -4.480 10.339 1.00 0.00 H new ATOM 744 N ARG A 47 4.664 -9.093 7.777 1.00 0.00 N ATOM 745 CA ARG A 47 3.738 -9.930 7.034 1.00 0.00 C ATOM 746 C ARG A 47 2.318 -9.372 7.137 1.00 0.00 C ATOM 747 O ARG A 47 1.420 -10.040 7.647 1.00 0.00 O ATOM 748 CB ARG A 47 3.753 -11.368 7.558 1.00 0.00 C ATOM 749 CG ARG A 47 3.479 -11.405 9.063 1.00 0.00 C ATOM 750 CD ARG A 47 2.288 -12.311 9.381 1.00 0.00 C ATOM 751 NE ARG A 47 2.659 -13.728 9.170 1.00 0.00 N ATOM 752 CZ ARG A 47 1.798 -14.751 9.259 1.00 0.00 C ATOM 753 NH1 ARG A 47 0.511 -14.520 9.554 1.00 0.00 N ATOM 754 NH2 ARG A 47 2.224 -16.004 9.052 1.00 0.00 N ATOM 0 H ARG A 47 5.634 -9.151 7.467 1.00 0.00 H new ATOM 0 HA ARG A 47 4.056 -9.932 5.992 1.00 0.00 H new ATOM 0 HB2 ARG A 47 3.002 -11.958 7.033 1.00 0.00 H new ATOM 0 HB3 ARG A 47 4.720 -11.825 7.349 1.00 0.00 H new ATOM 0 HG2 ARG A 47 4.364 -11.764 9.589 1.00 0.00 H new ATOM 0 HG3 ARG A 47 3.280 -10.396 9.425 1.00 0.00 H new ATOM 0 HD2 ARG A 47 1.971 -12.159 10.413 1.00 0.00 H new ATOM 0 HD3 ARG A 47 1.442 -12.050 8.746 1.00 0.00 H new ATOM 0 HE ARG A 47 3.631 -13.939 8.943 1.00 0.00 H new ATOM 0 HH11 ARG A 47 0.187 -13.566 9.711 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -0.144 -15.299 9.622 1.00 0.00 H new ATOM 0 HH21 ARG A 47 3.203 -16.179 8.827 1.00 0.00 H new ATOM 0 HH22 ARG A 47 1.569 -16.783 9.120 1.00 0.00 H new ATOM 768 N PRO A 48 2.154 -8.120 6.632 1.00 0.00 N ATOM 769 CA PRO A 48 0.858 -7.464 6.662 1.00 0.00 C ATOM 770 C PRO A 48 -0.079 -8.051 5.604 1.00 0.00 C ATOM 771 O PRO A 48 0.374 -8.687 4.654 1.00 0.00 O ATOM 772 CB PRO A 48 1.157 -5.991 6.439 1.00 0.00 C ATOM 773 CG PRO A 48 2.549 -5.936 5.831 1.00 0.00 C ATOM 774 CD PRO A 48 3.195 -7.299 6.020 1.00 0.00 C ATOM 0 HA PRO A 48 0.334 -7.612 7.606 1.00 0.00 H new ATOM 0 HB2 PRO A 48 0.422 -5.540 5.773 1.00 0.00 H new ATOM 0 HB3 PRO A 48 1.119 -5.438 7.378 1.00 0.00 H new ATOM 0 HG2 PRO A 48 2.493 -5.684 4.772 1.00 0.00 H new ATOM 0 HG3 PRO A 48 3.145 -5.161 6.312 1.00 0.00 H new ATOM 0 HD2 PRO A 48 3.522 -7.718 5.068 1.00 0.00 H new ATOM 0 HD3 PRO A 48 4.076 -7.235 6.659 1.00 0.00 H new ATOM 782 N ASP A 49 -1.367 -7.816 5.804 1.00 0.00 N ATOM 783 CA ASP A 49 -2.371 -8.314 4.879 1.00 0.00 C ATOM 784 C ASP A 49 -2.566 -7.299 3.751 1.00 0.00 C ATOM 785 O ASP A 49 -3.289 -7.563 2.791 1.00 0.00 O ATOM 786 CB ASP A 49 -3.718 -8.506 5.580 1.00 0.00 C ATOM 787 CG ASP A 49 -3.771 -9.671 6.570 1.00 0.00 C ATOM 788 OD1 ASP A 49 -3.339 -9.456 7.723 1.00 0.00 O ATOM 789 OD2 ASP A 49 -4.242 -10.751 6.151 1.00 0.00 O ATOM 0 H ASP A 49 -1.739 -7.287 6.593 1.00 0.00 H new ATOM 0 HA ASP A 49 -2.027 -9.272 4.490 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -3.969 -7.587 6.110 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -4.487 -8.658 4.822 1.00 0.00 H new ATOM 794 N LEU A 50 -1.909 -6.159 3.903 1.00 0.00 N ATOM 795 CA LEU A 50 -2.001 -5.103 2.909 1.00 0.00 C ATOM 796 C LEU A 50 -0.777 -4.192 3.024 1.00 0.00 C ATOM 797 O LEU A 50 -0.234 -4.010 4.113 1.00 0.00 O ATOM 798 CB LEU A 50 -3.333 -4.362 3.036 1.00 0.00 C ATOM 799 CG LEU A 50 -4.468 -4.865 2.142 1.00 0.00 C ATOM 800 CD1 LEU A 50 -5.517 -3.774 1.920 1.00 0.00 C ATOM 801 CD2 LEU A 50 -3.924 -5.414 0.821 1.00 0.00 C ATOM 0 H LEU A 50 -1.310 -5.943 4.700 1.00 0.00 H new ATOM 0 HA LEU A 50 -1.992 -5.524 1.904 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -3.661 -4.421 4.074 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -3.163 -3.308 2.815 1.00 0.00 H new ATOM 0 HG LEU A 50 -4.965 -5.690 2.653 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -6.312 -4.158 1.281 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -5.936 -3.472 2.880 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -5.051 -2.913 1.441 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -4.752 -5.765 0.204 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -3.387 -4.626 0.293 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -3.246 -6.243 1.023 1.00 0.00 H new ATOM 813 N VAL A 51 -0.378 -3.644 1.886 1.00 0.00 N ATOM 814 CA VAL A 51 0.772 -2.756 1.846 1.00 0.00 C ATOM 815 C VAL A 51 0.436 -1.533 0.990 1.00 0.00 C ATOM 816 O VAL A 51 -0.178 -1.660 -0.068 1.00 0.00 O ATOM 817 CB VAL A 51 2.002 -3.516 1.346 1.00 0.00 C ATOM 818 CG1 VAL A 51 3.270 -2.675 1.512 1.00 0.00 C ATOM 819 CG2 VAL A 51 2.140 -4.863 2.057 1.00 0.00 C ATOM 0 H VAL A 51 -0.830 -3.797 0.985 1.00 0.00 H new ATOM 0 HA VAL A 51 1.013 -2.397 2.846 1.00 0.00 H new ATOM 0 HB VAL A 51 1.866 -3.712 0.282 1.00 0.00 H new ATOM 0 HG11 VAL A 51 4.130 -3.238 1.149 1.00 0.00 H new ATOM 0 HG12 VAL A 51 3.172 -1.753 0.940 1.00 0.00 H new ATOM 0 HG13 VAL A 51 3.412 -2.435 2.566 1.00 0.00 H new ATOM 0 HG21 VAL A 51 3.022 -5.383 1.683 1.00 0.00 H new ATOM 0 HG22 VAL A 51 2.243 -4.699 3.130 1.00 0.00 H new ATOM 0 HG23 VAL A 51 1.254 -5.468 1.865 1.00 0.00 H new ATOM 829 N LEU A 52 0.854 -0.375 1.480 1.00 0.00 N ATOM 830 CA LEU A 52 0.605 0.870 0.773 1.00 0.00 C ATOM 831 C LEU A 52 1.941 1.540 0.444 1.00 0.00 C ATOM 832 O LEU A 52 2.691 1.913 1.344 1.00 0.00 O ATOM 833 CB LEU A 52 -0.348 1.760 1.574 1.00 0.00 C ATOM 834 CG LEU A 52 -0.252 3.262 1.301 1.00 0.00 C ATOM 835 CD1 LEU A 52 -1.618 3.935 1.451 1.00 0.00 C ATOM 836 CD2 LEU A 52 0.809 3.915 2.189 1.00 0.00 C ATOM 0 H LEU A 52 1.363 -0.273 2.358 1.00 0.00 H new ATOM 0 HA LEU A 52 0.102 0.676 -0.175 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -1.370 1.439 1.372 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -0.165 1.591 2.635 1.00 0.00 H new ATOM 0 HG LEU A 52 0.064 3.401 0.267 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -1.522 5.002 1.252 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -2.320 3.495 0.742 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -1.987 3.787 2.466 1.00 0.00 H new ATOM 0 HD21 LEU A 52 0.856 4.983 1.974 1.00 0.00 H new ATOM 0 HD22 LEU A 52 0.548 3.767 3.237 1.00 0.00 H new ATOM 0 HD23 LEU A 52 1.780 3.461 1.989 1.00 0.00 H new ATOM 848 N LEU A 53 2.197 1.673 -0.849 1.00 0.00 N ATOM 849 CA LEU A 53 3.428 2.291 -1.309 1.00 0.00 C ATOM 850 C LEU A 53 3.106 3.307 -2.406 1.00 0.00 C ATOM 851 O LEU A 53 2.190 3.098 -3.201 1.00 0.00 O ATOM 852 CB LEU A 53 4.437 1.223 -1.737 1.00 0.00 C ATOM 853 CG LEU A 53 5.717 1.736 -2.400 1.00 0.00 C ATOM 854 CD1 LEU A 53 5.470 2.093 -3.867 1.00 0.00 C ATOM 855 CD2 LEU A 53 6.307 2.910 -1.616 1.00 0.00 C ATOM 0 H LEU A 53 1.572 1.363 -1.593 1.00 0.00 H new ATOM 0 HA LEU A 53 3.904 2.840 -0.496 1.00 0.00 H new ATOM 0 HB2 LEU A 53 4.715 0.641 -0.858 1.00 0.00 H new ATOM 0 HB3 LEU A 53 3.942 0.540 -2.428 1.00 0.00 H new ATOM 0 HG LEU A 53 6.455 0.934 -2.384 1.00 0.00 H new ATOM 0 HD11 LEU A 53 6.396 2.455 -4.314 1.00 0.00 H new ATOM 0 HD12 LEU A 53 5.129 1.208 -4.404 1.00 0.00 H new ATOM 0 HD13 LEU A 53 4.709 2.871 -3.929 1.00 0.00 H new ATOM 0 HD21 LEU A 53 7.216 3.256 -2.108 1.00 0.00 H new ATOM 0 HD22 LEU A 53 5.582 3.723 -1.579 1.00 0.00 H new ATOM 0 HD23 LEU A 53 6.544 2.588 -0.602 1.00 0.00 H new ATOM 867 N ASP A 54 3.875 4.386 -2.414 1.00 0.00 N ATOM 868 CA ASP A 54 3.682 5.435 -3.401 1.00 0.00 C ATOM 869 C ASP A 54 4.827 5.392 -4.415 1.00 0.00 C ATOM 870 O ASP A 54 5.870 4.793 -4.155 1.00 0.00 O ATOM 871 CB ASP A 54 3.685 6.816 -2.744 1.00 0.00 C ATOM 872 CG ASP A 54 4.224 7.949 -3.620 1.00 0.00 C ATOM 873 OD1 ASP A 54 3.635 8.157 -4.703 1.00 0.00 O ATOM 874 OD2 ASP A 54 5.212 8.580 -3.187 1.00 0.00 O ATOM 0 H ASP A 54 4.633 4.556 -1.753 1.00 0.00 H new ATOM 0 HA ASP A 54 2.721 5.268 -3.887 1.00 0.00 H new ATOM 0 HB2 ASP A 54 2.666 7.062 -2.445 1.00 0.00 H new ATOM 0 HB3 ASP A 54 4.281 6.767 -1.833 1.00 0.00 H new ATOM 879 N MET A 55 4.595 6.035 -5.550 1.00 0.00 N ATOM 880 CA MET A 55 5.594 6.078 -6.604 1.00 0.00 C ATOM 881 C MET A 55 6.675 7.114 -6.293 1.00 0.00 C ATOM 882 O MET A 55 7.663 6.805 -5.628 1.00 0.00 O ATOM 883 CB MET A 55 4.919 6.427 -7.932 1.00 0.00 C ATOM 884 CG MET A 55 4.121 5.238 -8.471 1.00 0.00 C ATOM 885 SD MET A 55 2.704 4.932 -7.429 1.00 0.00 S ATOM 886 CE MET A 55 3.407 3.751 -6.290 1.00 0.00 C ATOM 0 H MET A 55 3.729 6.531 -5.763 1.00 0.00 H new ATOM 0 HA MET A 55 6.066 5.098 -6.672 1.00 0.00 H new ATOM 0 HB2 MET A 55 4.256 7.281 -7.794 1.00 0.00 H new ATOM 0 HB3 MET A 55 5.674 6.723 -8.661 1.00 0.00 H new ATOM 0 HG2 MET A 55 3.796 5.440 -9.491 1.00 0.00 H new ATOM 0 HG3 MET A 55 4.754 4.351 -8.508 1.00 0.00 H new ATOM 0 HE1 MET A 55 2.993 3.914 -5.295 1.00 0.00 H new ATOM 0 HE2 MET A 55 3.169 2.740 -6.621 1.00 0.00 H new ATOM 0 HE3 MET A 55 4.489 3.877 -6.257 1.00 0.00 H new ATOM 896 N LYS A 56 6.452 8.323 -6.787 1.00 0.00 N ATOM 897 CA LYS A 56 7.396 9.406 -6.570 1.00 0.00 C ATOM 898 C LYS A 56 8.019 9.263 -5.180 1.00 0.00 C ATOM 899 O LYS A 56 7.315 9.007 -4.204 1.00 0.00 O ATOM 900 CB LYS A 56 6.721 10.759 -6.806 1.00 0.00 C ATOM 901 CG LYS A 56 7.307 11.458 -8.035 1.00 0.00 C ATOM 902 CD LYS A 56 6.725 12.863 -8.196 1.00 0.00 C ATOM 903 CE LYS A 56 7.243 13.528 -9.473 1.00 0.00 C ATOM 904 NZ LYS A 56 6.214 14.426 -10.044 1.00 0.00 N ATOM 0 H LYS A 56 5.631 8.576 -7.337 1.00 0.00 H new ATOM 0 HA LYS A 56 8.211 9.352 -7.292 1.00 0.00 H new ATOM 0 HB2 LYS A 56 5.649 10.616 -6.941 1.00 0.00 H new ATOM 0 HB3 LYS A 56 6.850 11.392 -5.928 1.00 0.00 H new ATOM 0 HG2 LYS A 56 8.391 11.518 -7.941 1.00 0.00 H new ATOM 0 HG3 LYS A 56 7.097 10.869 -8.928 1.00 0.00 H new ATOM 0 HD2 LYS A 56 5.637 12.809 -8.226 1.00 0.00 H new ATOM 0 HD3 LYS A 56 6.990 13.472 -7.331 1.00 0.00 H new ATOM 0 HE2 LYS A 56 8.148 14.095 -9.254 1.00 0.00 H new ATOM 0 HE3 LYS A 56 7.514 12.765 -10.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 6.582 14.869 -10.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 5.361 13.876 -10.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 5.975 15.165 -9.352 1.00 0.00 H new ATOM 918 N ILE A 57 9.332 9.435 -5.135 1.00 0.00 N ATOM 919 CA ILE A 57 10.057 9.329 -3.880 1.00 0.00 C ATOM 920 C ILE A 57 11.555 9.486 -4.148 1.00 0.00 C ATOM 921 O ILE A 57 12.077 8.938 -5.117 1.00 0.00 O ATOM 922 CB ILE A 57 9.694 8.029 -3.160 1.00 0.00 C ATOM 923 CG1 ILE A 57 9.226 8.306 -1.730 1.00 0.00 C ATOM 924 CG2 ILE A 57 10.859 7.037 -3.200 1.00 0.00 C ATOM 925 CD1 ILE A 57 7.909 9.084 -1.726 1.00 0.00 C ATOM 0 H ILE A 57 9.912 9.647 -5.947 1.00 0.00 H new ATOM 0 HA ILE A 57 9.767 10.133 -3.203 1.00 0.00 H new ATOM 0 HB ILE A 57 8.859 7.568 -3.688 1.00 0.00 H new ATOM 0 HG12 ILE A 57 9.098 7.364 -1.196 1.00 0.00 H new ATOM 0 HG13 ILE A 57 9.989 8.873 -1.197 1.00 0.00 H new ATOM 0 HG21 ILE A 57 10.575 6.121 -2.681 1.00 0.00 H new ATOM 0 HG22 ILE A 57 11.105 6.806 -4.236 1.00 0.00 H new ATOM 0 HG23 ILE A 57 11.728 7.477 -2.711 1.00 0.00 H new ATOM 0 HD11 ILE A 57 7.598 9.268 -0.698 1.00 0.00 H new ATOM 0 HD12 ILE A 57 8.047 10.036 -2.239 1.00 0.00 H new ATOM 0 HD13 ILE A 57 7.142 8.503 -2.238 1.00 0.00 H new ATOM 937 N PRO A 58 12.222 10.258 -3.248 1.00 0.00 N ATOM 938 CA PRO A 58 13.649 10.495 -3.377 1.00 0.00 C ATOM 939 C PRO A 58 14.450 9.259 -2.962 1.00 0.00 C ATOM 940 O PRO A 58 14.272 8.741 -1.861 1.00 0.00 O ATOM 941 CB PRO A 58 13.929 11.705 -2.501 1.00 0.00 C ATOM 942 CG PRO A 58 12.744 11.817 -1.554 1.00 0.00 C ATOM 943 CD PRO A 58 11.636 10.923 -2.088 1.00 0.00 C ATOM 0 HA PRO A 58 13.951 10.687 -4.406 1.00 0.00 H new ATOM 0 HB2 PRO A 58 14.860 11.580 -1.948 1.00 0.00 H new ATOM 0 HB3 PRO A 58 14.034 12.607 -3.103 1.00 0.00 H new ATOM 0 HG2 PRO A 58 13.029 11.512 -0.547 1.00 0.00 H new ATOM 0 HG3 PRO A 58 12.403 12.850 -1.489 1.00 0.00 H new ATOM 0 HD2 PRO A 58 11.314 10.200 -1.338 1.00 0.00 H new ATOM 0 HD3 PRO A 58 10.758 11.505 -2.367 1.00 0.00 H new ATOM 951 N GLY A 59 15.315 8.822 -3.866 1.00 0.00 N ATOM 952 CA GLY A 59 16.143 7.656 -3.607 1.00 0.00 C ATOM 953 C GLY A 59 15.432 6.372 -4.038 1.00 0.00 C ATOM 954 O GLY A 59 14.628 5.821 -3.287 1.00 0.00 O ATOM 0 H GLY A 59 15.460 9.254 -4.778 1.00 0.00 H new ATOM 0 HA2 GLY A 59 17.088 7.750 -4.143 1.00 0.00 H new ATOM 0 HA3 GLY A 59 16.383 7.604 -2.545 1.00 0.00 H new ATOM 958 N MET A 60 15.753 5.932 -5.246 1.00 0.00 N ATOM 959 CA MET A 60 15.155 4.723 -5.785 1.00 0.00 C ATOM 960 C MET A 60 13.637 4.868 -5.905 1.00 0.00 C ATOM 961 O MET A 60 12.904 4.554 -4.969 1.00 0.00 O ATOM 962 CB MET A 60 15.485 3.539 -4.873 1.00 0.00 C ATOM 963 CG MET A 60 14.585 2.341 -5.183 1.00 0.00 C ATOM 964 SD MET A 60 15.578 0.942 -5.673 1.00 0.00 S ATOM 965 CE MET A 60 14.537 0.253 -6.948 1.00 0.00 C ATOM 0 H MET A 60 16.420 6.391 -5.866 1.00 0.00 H new ATOM 0 HA MET A 60 15.564 4.551 -6.781 1.00 0.00 H new ATOM 0 HB2 MET A 60 16.530 3.256 -5.002 1.00 0.00 H new ATOM 0 HB3 MET A 60 15.360 3.832 -3.831 1.00 0.00 H new ATOM 0 HG2 MET A 60 13.990 2.086 -4.306 1.00 0.00 H new ATOM 0 HG3 MET A 60 13.886 2.597 -5.979 1.00 0.00 H new ATOM 0 HE1 MET A 60 14.004 -0.612 -6.554 1.00 0.00 H new ATOM 0 HE2 MET A 60 13.818 1.004 -7.276 1.00 0.00 H new ATOM 0 HE3 MET A 60 15.152 -0.054 -7.794 1.00 0.00 H new ATOM 975 N ASP A 61 13.210 5.345 -7.065 1.00 0.00 N ATOM 976 CA ASP A 61 11.792 5.535 -7.320 1.00 0.00 C ATOM 977 C ASP A 61 11.059 4.207 -7.122 1.00 0.00 C ATOM 978 O ASP A 61 11.685 3.184 -6.849 1.00 0.00 O ATOM 979 CB ASP A 61 11.548 6.001 -8.757 1.00 0.00 C ATOM 980 CG ASP A 61 12.615 5.573 -9.765 1.00 0.00 C ATOM 981 OD1 ASP A 61 12.748 4.346 -9.965 1.00 0.00 O ATOM 982 OD2 ASP A 61 13.275 6.482 -10.314 1.00 0.00 O ATOM 0 H ASP A 61 13.821 5.606 -7.839 1.00 0.00 H new ATOM 0 HA ASP A 61 11.424 6.293 -6.628 1.00 0.00 H new ATOM 0 HB2 ASP A 61 10.583 5.618 -9.088 1.00 0.00 H new ATOM 0 HB3 ASP A 61 11.479 7.089 -8.764 1.00 0.00 H new ATOM 987 N GLY A 62 9.744 4.266 -7.269 1.00 0.00 N ATOM 988 CA GLY A 62 8.919 3.080 -7.110 1.00 0.00 C ATOM 989 C GLY A 62 8.775 2.331 -8.437 1.00 0.00 C ATOM 990 O GLY A 62 8.546 1.122 -8.449 1.00 0.00 O ATOM 0 H GLY A 62 9.229 5.116 -7.497 1.00 0.00 H new ATOM 0 HA2 GLY A 62 9.362 2.422 -6.363 1.00 0.00 H new ATOM 0 HA3 GLY A 62 7.934 3.365 -6.740 1.00 0.00 H new ATOM 994 N ILE A 63 8.915 3.080 -9.520 1.00 0.00 N ATOM 995 CA ILE A 63 8.802 2.502 -10.849 1.00 0.00 C ATOM 996 C ILE A 63 9.568 1.178 -10.891 1.00 0.00 C ATOM 997 O ILE A 63 9.075 0.189 -11.431 1.00 0.00 O ATOM 998 CB ILE A 63 9.254 3.507 -11.910 1.00 0.00 C ATOM 999 CG1 ILE A 63 8.053 4.103 -12.648 1.00 0.00 C ATOM 1000 CG2 ILE A 63 10.261 2.874 -12.873 1.00 0.00 C ATOM 1001 CD1 ILE A 63 7.701 3.272 -13.883 1.00 0.00 C ATOM 0 H ILE A 63 9.106 4.082 -9.505 1.00 0.00 H new ATOM 0 HA ILE A 63 7.761 2.276 -11.079 1.00 0.00 H new ATOM 0 HB ILE A 63 9.763 4.328 -11.406 1.00 0.00 H new ATOM 0 HG12 ILE A 63 7.195 4.146 -11.978 1.00 0.00 H new ATOM 0 HG13 ILE A 63 8.277 5.127 -12.946 1.00 0.00 H new ATOM 0 HG21 ILE A 63 10.566 3.610 -13.617 1.00 0.00 H new ATOM 0 HG22 ILE A 63 11.135 2.538 -12.316 1.00 0.00 H new ATOM 0 HG23 ILE A 63 9.800 2.022 -13.373 1.00 0.00 H new ATOM 0 HD11 ILE A 63 6.844 3.717 -14.389 1.00 0.00 H new ATOM 0 HD12 ILE A 63 8.553 3.251 -14.562 1.00 0.00 H new ATOM 0 HD13 ILE A 63 7.454 2.255 -13.579 1.00 0.00 H new ATOM 1013 N GLU A 64 10.760 1.202 -10.314 1.00 0.00 N ATOM 1014 CA GLU A 64 11.599 0.016 -10.278 1.00 0.00 C ATOM 1015 C GLU A 64 11.269 -0.831 -9.047 1.00 0.00 C ATOM 1016 O GLU A 64 11.099 -2.045 -9.152 1.00 0.00 O ATOM 1017 CB GLU A 64 13.082 0.392 -10.304 1.00 0.00 C ATOM 1018 CG GLU A 64 13.554 0.661 -11.734 1.00 0.00 C ATOM 1019 CD GLU A 64 13.788 -0.649 -12.490 1.00 0.00 C ATOM 1020 OE1 GLU A 64 14.504 -1.507 -11.930 1.00 0.00 O ATOM 1021 OE2 GLU A 64 13.246 -0.762 -13.611 1.00 0.00 O ATOM 0 H GLU A 64 11.165 2.025 -9.867 1.00 0.00 H new ATOM 0 HA GLU A 64 11.393 -0.578 -11.169 1.00 0.00 H new ATOM 0 HB2 GLU A 64 13.247 1.277 -9.690 1.00 0.00 H new ATOM 0 HB3 GLU A 64 13.673 -0.413 -9.868 1.00 0.00 H new ATOM 0 HG2 GLU A 64 12.811 1.260 -12.259 1.00 0.00 H new ATOM 0 HG3 GLU A 64 14.476 1.243 -11.713 1.00 0.00 H new ATOM 1028 N ILE A 65 11.188 -0.157 -7.910 1.00 0.00 N ATOM 1029 CA ILE A 65 10.881 -0.832 -6.660 1.00 0.00 C ATOM 1030 C ILE A 65 9.693 -1.772 -6.871 1.00 0.00 C ATOM 1031 O ILE A 65 9.821 -2.985 -6.716 1.00 0.00 O ATOM 1032 CB ILE A 65 10.668 0.187 -5.539 1.00 0.00 C ATOM 1033 CG1 ILE A 65 11.974 0.458 -4.788 1.00 0.00 C ATOM 1034 CG2 ILE A 65 9.548 -0.260 -4.597 1.00 0.00 C ATOM 1035 CD1 ILE A 65 12.549 -0.834 -4.205 1.00 0.00 C ATOM 0 H ILE A 65 11.330 0.850 -7.828 1.00 0.00 H new ATOM 0 HA ILE A 65 11.723 -1.448 -6.343 1.00 0.00 H new ATOM 0 HB ILE A 65 10.354 1.129 -5.989 1.00 0.00 H new ATOM 0 HG12 ILE A 65 12.699 0.911 -5.464 1.00 0.00 H new ATOM 0 HG13 ILE A 65 11.795 1.175 -3.987 1.00 0.00 H new ATOM 0 HG21 ILE A 65 9.417 0.482 -3.809 1.00 0.00 H new ATOM 0 HG22 ILE A 65 8.619 -0.361 -5.158 1.00 0.00 H new ATOM 0 HG23 ILE A 65 9.809 -1.220 -4.151 1.00 0.00 H new ATOM 0 HD11 ILE A 65 13.477 -0.614 -3.677 1.00 0.00 H new ATOM 0 HD12 ILE A 65 11.831 -1.271 -3.511 1.00 0.00 H new ATOM 0 HD13 ILE A 65 12.750 -1.539 -5.011 1.00 0.00 H new ATOM 1047 N LEU A 66 8.563 -1.175 -7.222 1.00 0.00 N ATOM 1048 CA LEU A 66 7.352 -1.944 -7.457 1.00 0.00 C ATOM 1049 C LEU A 66 7.631 -3.018 -8.510 1.00 0.00 C ATOM 1050 O LEU A 66 7.127 -4.135 -8.411 1.00 0.00 O ATOM 1051 CB LEU A 66 6.190 -1.016 -7.816 1.00 0.00 C ATOM 1052 CG LEU A 66 5.572 -0.234 -6.655 1.00 0.00 C ATOM 1053 CD1 LEU A 66 5.607 -1.052 -5.363 1.00 0.00 C ATOM 1054 CD2 LEU A 66 6.248 1.128 -6.491 1.00 0.00 C ATOM 0 H LEU A 66 8.460 -0.168 -7.349 1.00 0.00 H new ATOM 0 HA LEU A 66 7.046 -2.462 -6.548 1.00 0.00 H new ATOM 0 HB2 LEU A 66 6.538 -0.303 -8.563 1.00 0.00 H new ATOM 0 HB3 LEU A 66 5.407 -1.612 -8.284 1.00 0.00 H new ATOM 0 HG LEU A 66 4.524 -0.047 -6.888 1.00 0.00 H new ATOM 0 HD11 LEU A 66 5.162 -0.473 -4.554 1.00 0.00 H new ATOM 0 HD12 LEU A 66 5.044 -1.975 -5.501 1.00 0.00 H new ATOM 0 HD13 LEU A 66 6.640 -1.292 -5.112 1.00 0.00 H new ATOM 0 HD21 LEU A 66 5.790 1.664 -5.659 1.00 0.00 H new ATOM 0 HD22 LEU A 66 7.310 0.985 -6.290 1.00 0.00 H new ATOM 0 HD23 LEU A 66 6.126 1.707 -7.406 1.00 0.00 H new ATOM 1066 N LYS A 67 8.433 -2.641 -9.495 1.00 0.00 N ATOM 1067 CA LYS A 67 8.785 -3.558 -10.566 1.00 0.00 C ATOM 1068 C LYS A 67 9.490 -4.779 -9.975 1.00 0.00 C ATOM 1069 O LYS A 67 8.976 -5.894 -10.050 1.00 0.00 O ATOM 1070 CB LYS A 67 9.600 -2.837 -11.642 1.00 0.00 C ATOM 1071 CG LYS A 67 8.829 -2.770 -12.961 1.00 0.00 C ATOM 1072 CD LYS A 67 9.785 -2.771 -14.156 1.00 0.00 C ATOM 1073 CE LYS A 67 9.114 -3.369 -15.394 1.00 0.00 C ATOM 1074 NZ LYS A 67 9.905 -3.069 -16.608 1.00 0.00 N ATOM 0 H LYS A 67 8.849 -1.713 -9.574 1.00 0.00 H new ATOM 0 HA LYS A 67 7.888 -3.920 -11.068 1.00 0.00 H new ATOM 0 HB2 LYS A 67 9.841 -1.828 -11.306 1.00 0.00 H new ATOM 0 HB3 LYS A 67 10.546 -3.356 -11.796 1.00 0.00 H new ATOM 0 HG2 LYS A 67 8.150 -3.620 -13.033 1.00 0.00 H new ATOM 0 HG3 LYS A 67 8.215 -1.869 -12.982 1.00 0.00 H new ATOM 0 HD2 LYS A 67 10.107 -1.752 -14.369 1.00 0.00 H new ATOM 0 HD3 LYS A 67 10.679 -3.344 -13.910 1.00 0.00 H new ATOM 0 HE2 LYS A 67 9.014 -4.448 -15.275 1.00 0.00 H new ATOM 0 HE3 LYS A 67 8.107 -2.965 -15.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 9.436 -3.482 -17.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 9.979 -2.039 -16.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 10.857 -3.475 -16.511 1.00 0.00 H new ATOM 1088 N ARG A 68 10.657 -4.528 -9.399 1.00 0.00 N ATOM 1089 CA ARG A 68 11.438 -5.594 -8.795 1.00 0.00 C ATOM 1090 C ARG A 68 10.601 -6.342 -7.755 1.00 0.00 C ATOM 1091 O ARG A 68 10.714 -7.559 -7.622 1.00 0.00 O ATOM 1092 CB ARG A 68 12.697 -5.041 -8.124 1.00 0.00 C ATOM 1093 CG ARG A 68 13.899 -5.115 -9.069 1.00 0.00 C ATOM 1094 CD ARG A 68 15.108 -4.389 -8.476 1.00 0.00 C ATOM 1095 NE ARG A 68 15.876 -5.309 -7.608 1.00 0.00 N ATOM 1096 CZ ARG A 68 15.590 -5.542 -6.320 1.00 0.00 C ATOM 1097 NH1 ARG A 68 14.551 -4.924 -5.742 1.00 0.00 N ATOM 1098 NH2 ARG A 68 16.342 -6.394 -5.610 1.00 0.00 N ATOM 0 H ARG A 68 11.080 -3.602 -9.338 1.00 0.00 H new ATOM 0 HA ARG A 68 11.734 -6.279 -9.589 1.00 0.00 H new ATOM 0 HB2 ARG A 68 12.529 -4.007 -7.824 1.00 0.00 H new ATOM 0 HB3 ARG A 68 12.908 -5.606 -7.216 1.00 0.00 H new ATOM 0 HG2 ARG A 68 14.153 -6.158 -9.259 1.00 0.00 H new ATOM 0 HG3 ARG A 68 13.639 -4.671 -10.030 1.00 0.00 H new ATOM 0 HD2 ARG A 68 15.746 -4.014 -9.276 1.00 0.00 H new ATOM 0 HD3 ARG A 68 14.777 -3.524 -7.901 1.00 0.00 H new ATOM 0 HE ARG A 68 16.674 -5.797 -8.016 1.00 0.00 H new ATOM 0 HH11 ARG A 68 13.978 -4.276 -6.283 1.00 0.00 H new ATOM 0 HH12 ARG A 68 14.333 -5.101 -4.761 1.00 0.00 H new ATOM 0 HH21 ARG A 68 17.132 -6.865 -6.050 1.00 0.00 H new ATOM 0 HH22 ARG A 68 16.124 -6.571 -4.629 1.00 0.00 H new ATOM 1112 N MET A 69 9.781 -5.582 -7.045 1.00 0.00 N ATOM 1113 CA MET A 69 8.925 -6.157 -6.021 1.00 0.00 C ATOM 1114 C MET A 69 8.064 -7.284 -6.596 1.00 0.00 C ATOM 1115 O MET A 69 8.086 -8.406 -6.093 1.00 0.00 O ATOM 1116 CB MET A 69 8.021 -5.069 -5.440 1.00 0.00 C ATOM 1117 CG MET A 69 8.376 -4.783 -3.980 1.00 0.00 C ATOM 1118 SD MET A 69 8.039 -3.073 -3.593 1.00 0.00 S ATOM 1119 CE MET A 69 6.342 -3.205 -3.057 1.00 0.00 C ATOM 0 H MET A 69 9.691 -4.572 -7.158 1.00 0.00 H new ATOM 0 HA MET A 69 9.558 -6.572 -5.236 1.00 0.00 H new ATOM 0 HB2 MET A 69 8.121 -4.156 -6.028 1.00 0.00 H new ATOM 0 HB3 MET A 69 6.979 -5.381 -5.510 1.00 0.00 H new ATOM 0 HG2 MET A 69 7.799 -5.434 -3.323 1.00 0.00 H new ATOM 0 HG3 MET A 69 9.429 -5.004 -3.803 1.00 0.00 H new ATOM 0 HE1 MET A 69 5.944 -2.209 -2.861 1.00 0.00 H new ATOM 0 HE2 MET A 69 5.751 -3.685 -3.837 1.00 0.00 H new ATOM 0 HE3 MET A 69 6.294 -3.801 -2.146 1.00 0.00 H new ATOM 1129 N LYS A 70 7.325 -6.945 -7.643 1.00 0.00 N ATOM 1130 CA LYS A 70 6.458 -7.914 -8.291 1.00 0.00 C ATOM 1131 C LYS A 70 7.314 -8.933 -9.046 1.00 0.00 C ATOM 1132 O LYS A 70 7.052 -10.133 -8.988 1.00 0.00 O ATOM 1133 CB LYS A 70 5.426 -7.205 -9.172 1.00 0.00 C ATOM 1134 CG LYS A 70 5.966 -6.995 -10.588 1.00 0.00 C ATOM 1135 CD LYS A 70 6.001 -8.314 -11.362 1.00 0.00 C ATOM 1136 CE LYS A 70 5.157 -8.226 -12.635 1.00 0.00 C ATOM 1137 NZ LYS A 70 3.978 -9.116 -12.538 1.00 0.00 N ATOM 0 H LYS A 70 7.309 -6.013 -8.058 1.00 0.00 H new ATOM 0 HA LYS A 70 5.883 -8.467 -7.548 1.00 0.00 H new ATOM 0 HB2 LYS A 70 4.510 -7.795 -9.212 1.00 0.00 H new ATOM 0 HB3 LYS A 70 5.166 -6.242 -8.731 1.00 0.00 H new ATOM 0 HG2 LYS A 70 5.341 -6.275 -11.117 1.00 0.00 H new ATOM 0 HG3 LYS A 70 6.969 -6.571 -10.540 1.00 0.00 H new ATOM 0 HD2 LYS A 70 7.031 -8.561 -11.621 1.00 0.00 H new ATOM 0 HD3 LYS A 70 5.629 -9.120 -10.730 1.00 0.00 H new ATOM 0 HE2 LYS A 70 4.832 -7.198 -12.792 1.00 0.00 H new ATOM 0 HE3 LYS A 70 5.761 -8.505 -13.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 3.570 -9.257 -13.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 4.268 -10.035 -12.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 3.266 -8.683 -11.916 1.00 0.00 H new ATOM 1151 N VAL A 71 8.319 -8.417 -9.737 1.00 0.00 N ATOM 1152 CA VAL A 71 9.215 -9.267 -10.502 1.00 0.00 C ATOM 1153 C VAL A 71 9.885 -10.272 -9.563 1.00 0.00 C ATOM 1154 O VAL A 71 10.240 -11.375 -9.978 1.00 0.00 O ATOM 1155 CB VAL A 71 10.220 -8.409 -11.273 1.00 0.00 C ATOM 1156 CG1 VAL A 71 11.116 -9.276 -12.160 1.00 0.00 C ATOM 1157 CG2 VAL A 71 9.506 -7.336 -12.098 1.00 0.00 C ATOM 0 H VAL A 71 8.533 -7.421 -9.783 1.00 0.00 H new ATOM 0 HA VAL A 71 8.657 -9.838 -11.245 1.00 0.00 H new ATOM 0 HB VAL A 71 10.856 -7.905 -10.546 1.00 0.00 H new ATOM 0 HG11 VAL A 71 11.821 -8.641 -12.697 1.00 0.00 H new ATOM 0 HG12 VAL A 71 11.665 -9.985 -11.540 1.00 0.00 H new ATOM 0 HG13 VAL A 71 10.501 -9.821 -12.876 1.00 0.00 H new ATOM 0 HG21 VAL A 71 10.243 -6.740 -12.636 1.00 0.00 H new ATOM 0 HG22 VAL A 71 8.834 -7.813 -12.812 1.00 0.00 H new ATOM 0 HG23 VAL A 71 8.931 -6.690 -11.435 1.00 0.00 H new ATOM 1167 N ILE A 72 10.037 -9.856 -8.314 1.00 0.00 N ATOM 1168 CA ILE A 72 10.657 -10.706 -7.312 1.00 0.00 C ATOM 1169 C ILE A 72 9.621 -11.699 -6.780 1.00 0.00 C ATOM 1170 O ILE A 72 9.866 -12.904 -6.757 1.00 0.00 O ATOM 1171 CB ILE A 72 11.312 -9.857 -6.221 1.00 0.00 C ATOM 1172 CG1 ILE A 72 12.648 -9.284 -6.700 1.00 0.00 C ATOM 1173 CG2 ILE A 72 11.463 -10.653 -4.923 1.00 0.00 C ATOM 1174 CD1 ILE A 72 13.710 -10.380 -6.801 1.00 0.00 C ATOM 0 H ILE A 72 9.741 -8.941 -7.973 1.00 0.00 H new ATOM 0 HA ILE A 72 11.463 -11.292 -7.755 1.00 0.00 H new ATOM 0 HB ILE A 72 10.657 -9.012 -6.007 1.00 0.00 H new ATOM 0 HG12 ILE A 72 12.516 -8.809 -7.672 1.00 0.00 H new ATOM 0 HG13 ILE A 72 12.984 -8.510 -6.010 1.00 0.00 H new ATOM 0 HG21 ILE A 72 11.931 -10.026 -4.164 1.00 0.00 H new ATOM 0 HG22 ILE A 72 10.480 -10.971 -4.575 1.00 0.00 H new ATOM 0 HG23 ILE A 72 12.085 -11.529 -5.104 1.00 0.00 H new ATOM 0 HD11 ILE A 72 14.649 -9.946 -7.143 1.00 0.00 H new ATOM 0 HD12 ILE A 72 13.857 -10.836 -5.822 1.00 0.00 H new ATOM 0 HD13 ILE A 72 13.382 -11.140 -7.510 1.00 0.00 H new ATOM 1186 N ASP A 73 8.486 -11.155 -6.364 1.00 0.00 N ATOM 1187 CA ASP A 73 7.413 -11.978 -5.834 1.00 0.00 C ATOM 1188 C ASP A 73 6.097 -11.592 -6.513 1.00 0.00 C ATOM 1189 O ASP A 73 5.735 -10.417 -6.549 1.00 0.00 O ATOM 1190 CB ASP A 73 7.248 -11.765 -4.328 1.00 0.00 C ATOM 1191 CG ASP A 73 8.229 -10.770 -3.704 1.00 0.00 C ATOM 1192 OD1 ASP A 73 8.078 -9.565 -3.998 1.00 0.00 O ATOM 1193 OD2 ASP A 73 9.108 -11.238 -2.949 1.00 0.00 O ATOM 0 H ASP A 73 8.287 -10.155 -6.384 1.00 0.00 H new ATOM 0 HA ASP A 73 7.662 -13.022 -6.025 1.00 0.00 H new ATOM 0 HB2 ASP A 73 6.232 -11.421 -4.134 1.00 0.00 H new ATOM 0 HB3 ASP A 73 7.360 -12.726 -3.826 1.00 0.00 H new ATOM 1198 N GLU A 74 5.418 -12.604 -7.034 1.00 0.00 N ATOM 1199 CA GLU A 74 4.150 -12.385 -7.709 1.00 0.00 C ATOM 1200 C GLU A 74 2.990 -12.544 -6.725 1.00 0.00 C ATOM 1201 O GLU A 74 1.827 -12.410 -7.103 1.00 0.00 O ATOM 1202 CB GLU A 74 3.993 -13.333 -8.900 1.00 0.00 C ATOM 1203 CG GLU A 74 3.436 -14.686 -8.454 1.00 0.00 C ATOM 1204 CD GLU A 74 3.391 -15.673 -9.622 1.00 0.00 C ATOM 1205 OE1 GLU A 74 4.487 -16.020 -10.113 1.00 0.00 O ATOM 1206 OE2 GLU A 74 2.263 -16.057 -9.998 1.00 0.00 O ATOM 0 H GLU A 74 5.722 -13.577 -7.002 1.00 0.00 H new ATOM 0 HA GLU A 74 4.136 -11.365 -8.094 1.00 0.00 H new ATOM 0 HB2 GLU A 74 3.327 -12.887 -9.639 1.00 0.00 H new ATOM 0 HB3 GLU A 74 4.958 -13.475 -9.386 1.00 0.00 H new ATOM 0 HG2 GLU A 74 4.055 -15.092 -7.654 1.00 0.00 H new ATOM 0 HG3 GLU A 74 2.434 -14.554 -8.046 1.00 0.00 H new ATOM 1213 N ASN A 75 3.346 -12.827 -5.480 1.00 0.00 N ATOM 1214 CA ASN A 75 2.349 -13.006 -4.439 1.00 0.00 C ATOM 1215 C ASN A 75 2.275 -11.737 -3.587 1.00 0.00 C ATOM 1216 O ASN A 75 1.370 -11.587 -2.767 1.00 0.00 O ATOM 1217 CB ASN A 75 2.716 -14.172 -3.519 1.00 0.00 C ATOM 1218 CG ASN A 75 1.461 -14.886 -3.012 1.00 0.00 C ATOM 1219 OD1 ASN A 75 1.131 -15.985 -3.426 1.00 0.00 O ATOM 1220 ND2 ASN A 75 0.784 -14.203 -2.094 1.00 0.00 N ATOM 0 H ASN A 75 4.311 -12.937 -5.169 1.00 0.00 H new ATOM 0 HA ASN A 75 1.393 -13.213 -4.920 1.00 0.00 H new ATOM 0 HB2 ASN A 75 3.349 -14.879 -4.056 1.00 0.00 H new ATOM 0 HB3 ASN A 75 3.296 -13.804 -2.673 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -0.068 -14.595 -1.692 1.00 0.00 H new ATOM 0 HD22 ASN A 75 1.116 -13.287 -1.792 1.00 0.00 H new ATOM 1227 N ILE A 76 3.238 -10.855 -3.810 1.00 0.00 N ATOM 1228 CA ILE A 76 3.293 -9.604 -3.073 1.00 0.00 C ATOM 1229 C ILE A 76 2.038 -8.783 -3.376 1.00 0.00 C ATOM 1230 O ILE A 76 1.620 -8.685 -4.528 1.00 0.00 O ATOM 1231 CB ILE A 76 4.599 -8.864 -3.371 1.00 0.00 C ATOM 1232 CG1 ILE A 76 4.900 -7.826 -2.288 1.00 0.00 C ATOM 1233 CG2 ILE A 76 4.570 -8.243 -4.769 1.00 0.00 C ATOM 1234 CD1 ILE A 76 5.977 -6.844 -2.754 1.00 0.00 C ATOM 0 H ILE A 76 3.987 -10.982 -4.491 1.00 0.00 H new ATOM 0 HA ILE A 76 3.299 -9.794 -2.000 1.00 0.00 H new ATOM 0 HB ILE A 76 5.413 -9.588 -3.358 1.00 0.00 H new ATOM 0 HG12 ILE A 76 3.990 -7.281 -2.038 1.00 0.00 H new ATOM 0 HG13 ILE A 76 5.230 -8.329 -1.379 1.00 0.00 H new ATOM 0 HG21 ILE A 76 5.510 -7.723 -4.956 1.00 0.00 H new ATOM 0 HG22 ILE A 76 4.436 -9.028 -5.513 1.00 0.00 H new ATOM 0 HG23 ILE A 76 3.744 -7.535 -4.835 1.00 0.00 H new ATOM 0 HD11 ILE A 76 6.172 -6.117 -1.966 1.00 0.00 H new ATOM 0 HD12 ILE A 76 6.893 -7.389 -2.980 1.00 0.00 H new ATOM 0 HD13 ILE A 76 5.634 -6.325 -3.649 1.00 0.00 H new ATOM 1246 N ARG A 77 1.473 -8.215 -2.321 1.00 0.00 N ATOM 1247 CA ARG A 77 0.274 -7.406 -2.459 1.00 0.00 C ATOM 1248 C ARG A 77 0.525 -5.991 -1.934 1.00 0.00 C ATOM 1249 O ARG A 77 0.651 -5.786 -0.728 1.00 0.00 O ATOM 1250 CB ARG A 77 -0.899 -8.025 -1.697 1.00 0.00 C ATOM 1251 CG ARG A 77 -1.992 -6.986 -1.435 1.00 0.00 C ATOM 1252 CD ARG A 77 -3.358 -7.656 -1.276 1.00 0.00 C ATOM 1253 NE ARG A 77 -3.303 -8.666 -0.195 1.00 0.00 N ATOM 1254 CZ ARG A 77 -3.106 -9.976 -0.401 1.00 0.00 C ATOM 1255 NH1 ARG A 77 -2.944 -10.442 -1.646 1.00 0.00 N ATOM 1256 NH2 ARG A 77 -3.071 -10.819 0.640 1.00 0.00 N ATOM 0 H ARG A 77 1.823 -8.299 -1.367 1.00 0.00 H new ATOM 0 HA ARG A 77 0.022 -7.365 -3.519 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -1.312 -8.856 -2.270 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -0.547 -8.434 -0.750 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -1.753 -6.421 -0.534 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -2.026 -6.273 -2.259 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -4.115 -6.907 -1.047 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -3.651 -8.129 -2.213 1.00 0.00 H new ATOM 0 HE ARG A 77 -3.422 -8.345 0.766 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -2.970 -9.800 -2.438 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -2.794 -11.439 -1.802 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -3.194 -10.464 1.588 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -2.921 -11.816 0.484 1.00 0.00 H new ATOM 1270 N VAL A 78 0.591 -5.052 -2.866 1.00 0.00 N ATOM 1271 CA VAL A 78 0.825 -3.662 -2.513 1.00 0.00 C ATOM 1272 C VAL A 78 0.007 -2.760 -3.440 1.00 0.00 C ATOM 1273 O VAL A 78 -0.132 -3.047 -4.627 1.00 0.00 O ATOM 1274 CB VAL A 78 2.324 -3.357 -2.552 1.00 0.00 C ATOM 1275 CG1 VAL A 78 2.752 -2.888 -3.943 1.00 0.00 C ATOM 1276 CG2 VAL A 78 2.702 -2.327 -1.485 1.00 0.00 C ATOM 0 H VAL A 78 0.487 -5.226 -3.866 1.00 0.00 H new ATOM 0 HA VAL A 78 0.494 -3.466 -1.493 1.00 0.00 H new ATOM 0 HB VAL A 78 2.860 -4.280 -2.331 1.00 0.00 H new ATOM 0 HG11 VAL A 78 3.822 -2.678 -3.943 1.00 0.00 H new ATOM 0 HG12 VAL A 78 2.535 -3.668 -4.673 1.00 0.00 H new ATOM 0 HG13 VAL A 78 2.205 -1.983 -4.206 1.00 0.00 H new ATOM 0 HG21 VAL A 78 3.773 -2.128 -1.534 1.00 0.00 H new ATOM 0 HG22 VAL A 78 2.153 -1.402 -1.661 1.00 0.00 H new ATOM 0 HG23 VAL A 78 2.450 -2.716 -0.498 1.00 0.00 H new ATOM 1286 N ILE A 79 -0.512 -1.687 -2.861 1.00 0.00 N ATOM 1287 CA ILE A 79 -1.312 -0.741 -3.620 1.00 0.00 C ATOM 1288 C ILE A 79 -0.469 0.496 -3.935 1.00 0.00 C ATOM 1289 O ILE A 79 0.345 0.922 -3.117 1.00 0.00 O ATOM 1290 CB ILE A 79 -2.614 -0.426 -2.881 1.00 0.00 C ATOM 1291 CG1 ILE A 79 -3.771 -1.266 -3.426 1.00 0.00 C ATOM 1292 CG2 ILE A 79 -2.923 1.072 -2.928 1.00 0.00 C ATOM 1293 CD1 ILE A 79 -5.118 -0.724 -2.943 1.00 0.00 C ATOM 0 H ILE A 79 -0.394 -1.452 -1.875 1.00 0.00 H new ATOM 0 HA ILE A 79 -1.611 -1.175 -4.574 1.00 0.00 H new ATOM 0 HB ILE A 79 -2.485 -0.696 -1.833 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -3.744 -1.265 -4.516 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -3.656 -2.301 -3.106 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -3.854 1.268 -2.395 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -2.111 1.626 -2.457 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -3.025 1.390 -3.966 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -5.923 -1.339 -3.345 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -5.151 -0.749 -1.854 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -5.241 0.303 -3.286 1.00 0.00 H new ATOM 1305 N ILE A 80 -0.693 1.039 -5.123 1.00 0.00 N ATOM 1306 CA ILE A 80 0.036 2.219 -5.556 1.00 0.00 C ATOM 1307 C ILE A 80 -0.842 3.457 -5.359 1.00 0.00 C ATOM 1308 O ILE A 80 -2.068 3.361 -5.375 1.00 0.00 O ATOM 1309 CB ILE A 80 0.537 2.043 -6.991 1.00 0.00 C ATOM 1310 CG1 ILE A 80 -0.605 2.213 -7.995 1.00 0.00 C ATOM 1311 CG2 ILE A 80 1.255 0.702 -7.160 1.00 0.00 C ATOM 1312 CD1 ILE A 80 -1.040 3.677 -8.088 1.00 0.00 C ATOM 0 H ILE A 80 -1.369 0.683 -5.799 1.00 0.00 H new ATOM 0 HA ILE A 80 0.928 2.360 -4.946 1.00 0.00 H new ATOM 0 HB ILE A 80 1.266 2.827 -7.197 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -0.286 1.862 -8.976 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -1.452 1.596 -7.695 1.00 0.00 H new ATOM 0 HG21 ILE A 80 1.601 0.602 -8.189 1.00 0.00 H new ATOM 0 HG22 ILE A 80 2.109 0.659 -6.484 1.00 0.00 H new ATOM 0 HG23 ILE A 80 0.567 -0.111 -6.928 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -1.853 3.770 -8.808 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -1.381 4.018 -7.110 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -0.197 4.287 -8.412 1.00 0.00 H new ATOM 1324 N MET A 81 -0.180 4.590 -5.178 1.00 0.00 N ATOM 1325 CA MET A 81 -0.885 5.845 -4.978 1.00 0.00 C ATOM 1326 C MET A 81 -0.195 6.986 -5.728 1.00 0.00 C ATOM 1327 O MET A 81 0.997 7.224 -5.544 1.00 0.00 O ATOM 1328 CB MET A 81 -0.933 6.171 -3.484 1.00 0.00 C ATOM 1329 CG MET A 81 -0.145 5.141 -2.672 1.00 0.00 C ATOM 1330 SD MET A 81 -0.046 5.655 -0.966 1.00 0.00 S ATOM 1331 CE MET A 81 1.603 5.098 -0.570 1.00 0.00 C ATOM 0 H MET A 81 0.837 4.665 -5.166 1.00 0.00 H new ATOM 0 HA MET A 81 -1.897 5.738 -5.368 1.00 0.00 H new ATOM 0 HB2 MET A 81 -0.523 7.166 -3.312 1.00 0.00 H new ATOM 0 HB3 MET A 81 -1.969 6.191 -3.146 1.00 0.00 H new ATOM 0 HG2 MET A 81 -0.628 4.166 -2.739 1.00 0.00 H new ATOM 0 HG3 MET A 81 0.857 5.029 -3.086 1.00 0.00 H new ATOM 0 HE1 MET A 81 1.830 5.341 0.468 1.00 0.00 H new ATOM 0 HE2 MET A 81 1.667 4.019 -0.712 1.00 0.00 H new ATOM 0 HE3 MET A 81 2.321 5.593 -1.224 1.00 0.00 H new ATOM 1341 N THR A 82 -0.976 7.662 -6.559 1.00 0.00 N ATOM 1342 CA THR A 82 -0.455 8.773 -7.337 1.00 0.00 C ATOM 1343 C THR A 82 -1.577 9.431 -8.144 1.00 0.00 C ATOM 1344 O THR A 82 -2.519 8.761 -8.565 1.00 0.00 O ATOM 1345 CB THR A 82 0.689 8.247 -8.206 1.00 0.00 C ATOM 1346 OG1 THR A 82 0.724 9.142 -9.314 1.00 0.00 O ATOM 1347 CG2 THR A 82 0.370 6.889 -8.834 1.00 0.00 C ATOM 0 H THR A 82 -1.965 7.462 -6.710 1.00 0.00 H new ATOM 0 HA THR A 82 -0.058 9.556 -6.691 1.00 0.00 H new ATOM 0 HB THR A 82 1.594 8.165 -7.604 1.00 0.00 H new ATOM 0 HG1 THR A 82 1.440 8.875 -9.928 1.00 0.00 H new ATOM 0 HG21 THR A 82 1.214 6.561 -9.440 1.00 0.00 H new ATOM 0 HG22 THR A 82 0.184 6.159 -8.047 1.00 0.00 H new ATOM 0 HG23 THR A 82 -0.516 6.978 -9.463 1.00 0.00 H new ATOM 1355 N ALA A 83 -1.439 10.735 -8.334 1.00 0.00 N ATOM 1356 CA ALA A 83 -2.429 11.491 -9.083 1.00 0.00 C ATOM 1357 C ALA A 83 -2.617 10.853 -10.461 1.00 0.00 C ATOM 1358 O ALA A 83 -1.738 10.141 -10.944 1.00 0.00 O ATOM 1359 CB ALA A 83 -1.993 12.955 -9.172 1.00 0.00 C ATOM 0 H ALA A 83 -0.657 11.287 -7.982 1.00 0.00 H new ATOM 0 HA ALA A 83 -3.394 11.468 -8.576 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -2.735 13.522 -9.734 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -1.903 13.370 -8.168 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -1.030 13.018 -9.678 1.00 0.00 H new ATOM 1365 N TYR A 84 -3.768 11.131 -11.054 1.00 0.00 N ATOM 1366 CA TYR A 84 -4.082 10.593 -12.367 1.00 0.00 C ATOM 1367 C TYR A 84 -3.436 11.432 -13.472 1.00 0.00 C ATOM 1368 O TYR A 84 -4.066 11.716 -14.489 1.00 0.00 O ATOM 1369 CB TYR A 84 -5.604 10.677 -12.504 1.00 0.00 C ATOM 1370 CG TYR A 84 -6.112 12.041 -12.974 1.00 0.00 C ATOM 1371 CD1 TYR A 84 -6.170 13.098 -12.088 1.00 0.00 C ATOM 1372 CD2 TYR A 84 -6.513 12.215 -14.283 1.00 0.00 C ATOM 1373 CE1 TYR A 84 -6.649 14.382 -12.530 1.00 0.00 C ATOM 1374 CE2 TYR A 84 -6.992 13.499 -14.725 1.00 0.00 C ATOM 1375 CZ TYR A 84 -7.036 14.519 -13.827 1.00 0.00 C ATOM 1376 OH TYR A 84 -7.488 15.732 -14.244 1.00 0.00 O ATOM 0 H TYR A 84 -4.495 11.722 -10.650 1.00 0.00 H new ATOM 0 HA TYR A 84 -3.709 9.573 -12.463 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -5.938 9.914 -13.208 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -6.059 10.443 -11.541 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -5.856 12.962 -11.064 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -6.468 11.388 -14.976 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -6.700 15.217 -11.847 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -7.309 13.648 -15.747 1.00 0.00 H new ATOM 0 HH TYR A 84 -7.728 15.683 -15.193 1.00 0.00 H new ATOM 1386 N GLY A 85 -2.187 11.804 -13.234 1.00 0.00 N ATOM 1387 CA GLY A 85 -1.448 12.604 -14.196 1.00 0.00 C ATOM 1388 C GLY A 85 -0.397 11.760 -14.920 1.00 0.00 C ATOM 1389 O GLY A 85 0.104 12.154 -15.971 1.00 0.00 O ATOM 0 H GLY A 85 -1.668 11.566 -12.389 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -2.137 13.034 -14.922 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -0.963 13.436 -13.686 1.00 0.00 H new ATOM 1393 N GLU A 86 -0.095 10.614 -14.327 1.00 0.00 N ATOM 1394 CA GLU A 86 0.887 9.711 -14.902 1.00 0.00 C ATOM 1395 C GLU A 86 0.288 8.313 -15.071 1.00 0.00 C ATOM 1396 O GLU A 86 0.871 7.326 -14.626 1.00 0.00 O ATOM 1397 CB GLU A 86 2.155 9.664 -14.047 1.00 0.00 C ATOM 1398 CG GLU A 86 1.811 9.543 -12.561 1.00 0.00 C ATOM 1399 CD GLU A 86 3.050 9.184 -11.738 1.00 0.00 C ATOM 1400 OE1 GLU A 86 4.131 9.710 -12.082 1.00 0.00 O ATOM 1401 OE2 GLU A 86 2.888 8.392 -10.785 1.00 0.00 O ATOM 0 H GLU A 86 -0.513 10.291 -13.455 1.00 0.00 H new ATOM 0 HA GLU A 86 1.165 10.087 -15.886 1.00 0.00 H new ATOM 0 HB2 GLU A 86 2.772 8.818 -14.351 1.00 0.00 H new ATOM 0 HB3 GLU A 86 2.745 10.565 -14.215 1.00 0.00 H new ATOM 0 HG2 GLU A 86 1.393 10.484 -12.203 1.00 0.00 H new ATOM 0 HG3 GLU A 86 1.045 8.780 -12.423 1.00 0.00 H new ATOM 1408 N LEU A 87 -0.869 8.274 -15.716 1.00 0.00 N ATOM 1409 CA LEU A 87 -1.553 7.014 -15.949 1.00 0.00 C ATOM 1410 C LEU A 87 -0.545 5.975 -16.444 1.00 0.00 C ATOM 1411 O LEU A 87 -0.599 4.813 -16.044 1.00 0.00 O ATOM 1412 CB LEU A 87 -2.741 7.216 -16.893 1.00 0.00 C ATOM 1413 CG LEU A 87 -3.795 8.226 -16.437 1.00 0.00 C ATOM 1414 CD1 LEU A 87 -4.384 8.981 -17.630 1.00 0.00 C ATOM 1415 CD2 LEU A 87 -4.879 7.546 -15.598 1.00 0.00 C ATOM 0 H LEU A 87 -1.350 9.095 -16.084 1.00 0.00 H new ATOM 0 HA LEU A 87 -1.975 6.632 -15.019 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -2.359 7.533 -17.863 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -3.229 6.253 -17.042 1.00 0.00 H new ATOM 0 HG LEU A 87 -3.308 8.963 -15.798 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -5.131 9.693 -17.278 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -3.590 9.516 -18.150 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -4.852 8.273 -18.314 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -5.616 8.286 -15.287 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -5.369 6.774 -16.192 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -4.426 7.092 -14.717 1.00 0.00 H new ATOM 1427 N ASP A 88 0.352 6.431 -17.306 1.00 0.00 N ATOM 1428 CA ASP A 88 1.371 5.555 -17.859 1.00 0.00 C ATOM 1429 C ASP A 88 1.969 4.704 -16.737 1.00 0.00 C ATOM 1430 O ASP A 88 1.935 3.476 -16.799 1.00 0.00 O ATOM 1431 CB ASP A 88 2.504 6.362 -18.496 1.00 0.00 C ATOM 1432 CG ASP A 88 2.679 6.154 -20.001 1.00 0.00 C ATOM 1433 OD1 ASP A 88 1.662 6.292 -20.715 1.00 0.00 O ATOM 1434 OD2 ASP A 88 3.826 5.862 -20.404 1.00 0.00 O ATOM 0 H ASP A 88 0.394 7.396 -17.635 1.00 0.00 H new ATOM 0 HA ASP A 88 0.902 4.930 -18.619 1.00 0.00 H new ATOM 0 HB2 ASP A 88 2.325 7.421 -18.309 1.00 0.00 H new ATOM 0 HB3 ASP A 88 3.438 6.104 -17.998 1.00 0.00 H new ATOM 1439 N MET A 89 2.504 5.390 -15.737 1.00 0.00 N ATOM 1440 CA MET A 89 3.108 4.712 -14.603 1.00 0.00 C ATOM 1441 C MET A 89 2.070 3.889 -13.839 1.00 0.00 C ATOM 1442 O MET A 89 2.302 2.721 -13.531 1.00 0.00 O ATOM 1443 CB MET A 89 3.733 5.746 -13.664 1.00 0.00 C ATOM 1444 CG MET A 89 3.935 5.163 -12.264 1.00 0.00 C ATOM 1445 SD MET A 89 4.710 3.560 -12.376 1.00 0.00 S ATOM 1446 CE MET A 89 5.151 3.308 -10.665 1.00 0.00 C ATOM 0 H MET A 89 2.532 6.408 -15.689 1.00 0.00 H new ATOM 0 HA MET A 89 3.877 4.035 -14.976 1.00 0.00 H new ATOM 0 HB2 MET A 89 4.691 6.076 -14.066 1.00 0.00 H new ATOM 0 HB3 MET A 89 3.091 6.625 -13.607 1.00 0.00 H new ATOM 0 HG2 MET A 89 4.553 5.834 -11.668 1.00 0.00 H new ATOM 0 HG3 MET A 89 2.975 5.077 -11.755 1.00 0.00 H new ATOM 0 HE1 MET A 89 5.757 2.407 -10.574 1.00 0.00 H new ATOM 0 HE2 MET A 89 5.720 4.165 -10.306 1.00 0.00 H new ATOM 0 HE3 MET A 89 4.246 3.198 -10.068 1.00 0.00 H new ATOM 1456 N ILE A 90 0.947 4.531 -13.553 1.00 0.00 N ATOM 1457 CA ILE A 90 -0.129 3.874 -12.830 1.00 0.00 C ATOM 1458 C ILE A 90 -0.454 2.542 -13.509 1.00 0.00 C ATOM 1459 O ILE A 90 -0.482 1.499 -12.857 1.00 0.00 O ATOM 1460 CB ILE A 90 -1.334 4.806 -12.697 1.00 0.00 C ATOM 1461 CG1 ILE A 90 -1.029 5.964 -11.743 1.00 0.00 C ATOM 1462 CG2 ILE A 90 -2.584 4.031 -12.276 1.00 0.00 C ATOM 1463 CD1 ILE A 90 -1.492 7.297 -12.334 1.00 0.00 C ATOM 0 H ILE A 90 0.759 5.500 -13.809 1.00 0.00 H new ATOM 0 HA ILE A 90 0.181 3.646 -11.810 1.00 0.00 H new ATOM 0 HB ILE A 90 -1.539 5.240 -13.676 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -1.526 5.793 -10.788 1.00 0.00 H new ATOM 0 HG13 ILE A 90 0.042 6.003 -11.543 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -3.426 4.718 -12.189 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -2.811 3.272 -13.025 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -2.407 3.550 -11.314 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -1.264 8.103 -11.637 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -0.976 7.476 -13.277 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -2.567 7.263 -12.510 1.00 0.00 H new ATOM 1475 N GLN A 91 -0.691 2.620 -14.810 1.00 0.00 N ATOM 1476 CA GLN A 91 -1.013 1.433 -15.585 1.00 0.00 C ATOM 1477 C GLN A 91 0.013 0.330 -15.317 1.00 0.00 C ATOM 1478 O GLN A 91 -0.354 -0.805 -15.017 1.00 0.00 O ATOM 1479 CB GLN A 91 -1.093 1.758 -17.078 1.00 0.00 C ATOM 1480 CG GLN A 91 -2.523 2.115 -17.486 1.00 0.00 C ATOM 1481 CD GLN A 91 -3.064 1.121 -18.516 1.00 0.00 C ATOM 1482 OE1 GLN A 91 -3.862 0.248 -18.215 1.00 0.00 O ATOM 1483 NE2 GLN A 91 -2.585 1.300 -19.744 1.00 0.00 N ATOM 0 H GLN A 91 -0.667 3.487 -15.347 1.00 0.00 H new ATOM 0 HA GLN A 91 -1.993 1.073 -15.273 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -0.427 2.589 -17.309 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -0.748 0.903 -17.659 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -3.166 2.118 -16.606 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -2.546 3.123 -17.901 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -1.919 2.051 -19.927 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -2.884 0.687 -20.502 1.00 0.00 H new ATOM 1492 N GLU A 92 1.279 0.702 -15.437 1.00 0.00 N ATOM 1493 CA GLU A 92 2.361 -0.241 -15.212 1.00 0.00 C ATOM 1494 C GLU A 92 2.169 -0.961 -13.875 1.00 0.00 C ATOM 1495 O GLU A 92 2.149 -2.190 -13.825 1.00 0.00 O ATOM 1496 CB GLU A 92 3.720 0.459 -15.266 1.00 0.00 C ATOM 1497 CG GLU A 92 4.440 0.158 -16.582 1.00 0.00 C ATOM 1498 CD GLU A 92 5.318 1.336 -17.009 1.00 0.00 C ATOM 1499 OE1 GLU A 92 6.353 1.543 -16.341 1.00 0.00 O ATOM 1500 OE2 GLU A 92 4.934 2.002 -17.995 1.00 0.00 O ATOM 0 H GLU A 92 1.580 1.644 -15.687 1.00 0.00 H new ATOM 0 HA GLU A 92 2.340 -0.984 -16.010 1.00 0.00 H new ATOM 0 HB2 GLU A 92 3.583 1.535 -15.160 1.00 0.00 H new ATOM 0 HB3 GLU A 92 4.335 0.132 -14.428 1.00 0.00 H new ATOM 0 HG2 GLU A 92 5.054 -0.735 -16.469 1.00 0.00 H new ATOM 0 HG3 GLU A 92 3.708 -0.055 -17.361 1.00 0.00 H new ATOM 1507 N SER A 93 2.031 -0.164 -12.825 1.00 0.00 N ATOM 1508 CA SER A 93 1.841 -0.710 -11.492 1.00 0.00 C ATOM 1509 C SER A 93 0.714 -1.745 -11.506 1.00 0.00 C ATOM 1510 O SER A 93 0.731 -2.696 -10.726 1.00 0.00 O ATOM 1511 CB SER A 93 1.531 0.398 -10.483 1.00 0.00 C ATOM 1512 OG SER A 93 1.222 1.633 -11.123 1.00 0.00 O ATOM 0 H SER A 93 2.047 0.855 -12.871 1.00 0.00 H new ATOM 0 HA SER A 93 2.768 -1.195 -11.186 1.00 0.00 H new ATOM 0 HB2 SER A 93 0.692 0.094 -9.858 1.00 0.00 H new ATOM 0 HB3 SER A 93 2.387 0.536 -9.822 1.00 0.00 H new ATOM 0 HG SER A 93 0.279 1.637 -11.388 1.00 0.00 H new ATOM 1518 N LYS A 94 -0.237 -1.525 -12.401 1.00 0.00 N ATOM 1519 CA LYS A 94 -1.370 -2.427 -12.527 1.00 0.00 C ATOM 1520 C LYS A 94 -0.927 -3.695 -13.261 1.00 0.00 C ATOM 1521 O LYS A 94 -1.253 -4.804 -12.842 1.00 0.00 O ATOM 1522 CB LYS A 94 -2.551 -1.715 -13.188 1.00 0.00 C ATOM 1523 CG LYS A 94 -3.810 -1.826 -12.325 1.00 0.00 C ATOM 1524 CD LYS A 94 -5.048 -2.071 -13.191 1.00 0.00 C ATOM 1525 CE LYS A 94 -5.226 -3.562 -13.483 1.00 0.00 C ATOM 1526 NZ LYS A 94 -5.014 -3.838 -14.921 1.00 0.00 N ATOM 0 H LYS A 94 -0.247 -0.735 -13.046 1.00 0.00 H new ATOM 0 HA LYS A 94 -1.724 -2.734 -11.543 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -2.305 -0.665 -13.346 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -2.739 -2.149 -14.170 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -3.695 -2.641 -11.610 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -3.941 -0.911 -11.747 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -5.933 -1.688 -12.683 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -4.955 -1.522 -14.128 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -4.521 -4.142 -12.888 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -6.227 -3.879 -13.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -5.139 -4.855 -15.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -5.704 -3.299 -15.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -4.050 -3.554 -15.191 1.00 0.00 H new ATOM 1540 N GLU A 95 -0.192 -3.487 -14.343 1.00 0.00 N ATOM 1541 CA GLU A 95 0.299 -4.599 -15.139 1.00 0.00 C ATOM 1542 C GLU A 95 1.459 -5.294 -14.423 1.00 0.00 C ATOM 1543 O GLU A 95 1.879 -6.379 -14.822 1.00 0.00 O ATOM 1544 CB GLU A 95 0.717 -4.132 -16.535 1.00 0.00 C ATOM 1545 CG GLU A 95 2.204 -3.774 -16.571 1.00 0.00 C ATOM 1546 CD GLU A 95 3.050 -4.985 -16.970 1.00 0.00 C ATOM 1547 OE1 GLU A 95 2.745 -5.564 -18.035 1.00 0.00 O ATOM 1548 OE2 GLU A 95 3.982 -5.304 -16.201 1.00 0.00 O ATOM 0 H GLU A 95 0.076 -2.565 -14.687 1.00 0.00 H new ATOM 0 HA GLU A 95 -0.511 -5.319 -15.260 1.00 0.00 H new ATOM 0 HB2 GLU A 95 0.511 -4.917 -17.262 1.00 0.00 H new ATOM 0 HB3 GLU A 95 0.123 -3.265 -16.825 1.00 0.00 H new ATOM 0 HG2 GLU A 95 2.369 -2.962 -17.279 1.00 0.00 H new ATOM 0 HG3 GLU A 95 2.519 -3.413 -15.592 1.00 0.00 H new ATOM 1555 N LEU A 96 1.945 -4.639 -13.379 1.00 0.00 N ATOM 1556 CA LEU A 96 3.048 -5.180 -12.603 1.00 0.00 C ATOM 1557 C LEU A 96 2.530 -6.301 -11.701 1.00 0.00 C ATOM 1558 O LEU A 96 3.310 -7.110 -11.200 1.00 0.00 O ATOM 1559 CB LEU A 96 3.768 -4.063 -11.845 1.00 0.00 C ATOM 1560 CG LEU A 96 5.200 -3.764 -12.292 1.00 0.00 C ATOM 1561 CD1 LEU A 96 5.331 -3.860 -13.813 1.00 0.00 C ATOM 1562 CD2 LEU A 96 5.668 -2.407 -11.761 1.00 0.00 C ATOM 0 H LEU A 96 1.595 -3.738 -13.052 1.00 0.00 H new ATOM 0 HA LEU A 96 3.797 -5.621 -13.261 1.00 0.00 H new ATOM 0 HB2 LEU A 96 3.181 -3.150 -11.940 1.00 0.00 H new ATOM 0 HB3 LEU A 96 3.786 -4.322 -10.786 1.00 0.00 H new ATOM 0 HG LEU A 96 5.857 -4.521 -11.864 1.00 0.00 H new ATOM 0 HD11 LEU A 96 6.359 -3.643 -14.104 1.00 0.00 H new ATOM 0 HD12 LEU A 96 5.067 -4.866 -14.138 1.00 0.00 H new ATOM 0 HD13 LEU A 96 4.661 -3.139 -14.282 1.00 0.00 H new ATOM 0 HD21 LEU A 96 6.689 -2.219 -12.093 1.00 0.00 H new ATOM 0 HD22 LEU A 96 5.013 -1.623 -12.140 1.00 0.00 H new ATOM 0 HD23 LEU A 96 5.636 -2.412 -10.671 1.00 0.00 H new ATOM 1574 N GLY A 97 1.217 -6.314 -11.520 1.00 0.00 N ATOM 1575 CA GLY A 97 0.586 -7.323 -10.687 1.00 0.00 C ATOM 1576 C GLY A 97 0.071 -6.712 -9.382 1.00 0.00 C ATOM 1577 O GLY A 97 -0.027 -7.400 -8.367 1.00 0.00 O ATOM 0 H GLY A 97 0.573 -5.641 -11.936 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -0.241 -7.782 -11.229 1.00 0.00 H new ATOM 0 HA3 GLY A 97 1.301 -8.115 -10.465 1.00 0.00 H new ATOM 1581 N ALA A 98 -0.245 -5.427 -9.452 1.00 0.00 N ATOM 1582 CA ALA A 98 -0.748 -4.716 -8.289 1.00 0.00 C ATOM 1583 C ALA A 98 -2.240 -5.012 -8.121 1.00 0.00 C ATOM 1584 O ALA A 98 -2.842 -5.682 -8.959 1.00 0.00 O ATOM 1585 CB ALA A 98 -0.464 -3.221 -8.442 1.00 0.00 C ATOM 0 H ALA A 98 -0.162 -4.860 -10.296 1.00 0.00 H new ATOM 0 HA ALA A 98 -0.241 -5.053 -7.385 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -0.841 -2.688 -7.569 1.00 0.00 H new ATOM 0 HB2 ALA A 98 0.611 -3.062 -8.528 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -0.959 -2.846 -9.338 1.00 0.00 H new ATOM 1591 N LEU A 99 -2.794 -4.499 -7.032 1.00 0.00 N ATOM 1592 CA LEU A 99 -4.204 -4.700 -6.744 1.00 0.00 C ATOM 1593 C LEU A 99 -5.024 -3.628 -7.464 1.00 0.00 C ATOM 1594 O LEU A 99 -5.965 -3.945 -8.190 1.00 0.00 O ATOM 1595 CB LEU A 99 -4.440 -4.744 -5.233 1.00 0.00 C ATOM 1596 CG LEU A 99 -3.366 -5.453 -4.406 1.00 0.00 C ATOM 1597 CD1 LEU A 99 -3.030 -6.822 -5.001 1.00 0.00 C ATOM 1598 CD2 LEU A 99 -2.123 -4.574 -4.254 1.00 0.00 C ATOM 0 H LEU A 99 -2.292 -3.945 -6.339 1.00 0.00 H new ATOM 0 HA LEU A 99 -4.538 -5.666 -7.124 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -4.533 -3.720 -4.870 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -5.395 -5.235 -5.049 1.00 0.00 H new ATOM 0 HG LEU A 99 -3.764 -5.626 -3.406 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -2.264 -7.304 -4.394 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -3.926 -7.442 -5.015 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -2.660 -6.696 -6.019 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -1.375 -5.101 -3.662 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -1.714 -4.349 -5.239 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -2.394 -3.645 -3.753 1.00 0.00 H new ATOM 1610 N THR A 100 -4.639 -2.381 -7.237 1.00 0.00 N ATOM 1611 CA THR A 100 -5.328 -1.261 -7.854 1.00 0.00 C ATOM 1612 C THR A 100 -4.487 0.012 -7.738 1.00 0.00 C ATOM 1613 O THR A 100 -3.488 0.037 -7.020 1.00 0.00 O ATOM 1614 CB THR A 100 -6.708 -1.138 -7.206 1.00 0.00 C ATOM 1615 OG1 THR A 100 -7.192 0.125 -7.655 1.00 0.00 O ATOM 1616 CG2 THR A 100 -6.629 -0.988 -5.685 1.00 0.00 C ATOM 0 H THR A 100 -3.858 -2.122 -6.634 1.00 0.00 H new ATOM 0 HA THR A 100 -5.469 -1.424 -8.922 1.00 0.00 H new ATOM 0 HB THR A 100 -7.305 -2.016 -7.454 1.00 0.00 H new ATOM 0 HG1 THR A 100 -7.480 0.658 -6.884 1.00 0.00 H new ATOM 0 HG21 THR A 100 -7.635 -0.905 -5.275 1.00 0.00 H new ATOM 0 HG22 THR A 100 -6.135 -1.861 -5.259 1.00 0.00 H new ATOM 0 HG23 THR A 100 -6.061 -0.092 -5.437 1.00 0.00 H new ATOM 1624 N HIS A 101 -4.922 1.038 -8.454 1.00 0.00 N ATOM 1625 CA HIS A 101 -4.222 2.311 -8.440 1.00 0.00 C ATOM 1626 C HIS A 101 -5.195 3.428 -8.060 1.00 0.00 C ATOM 1627 O HIS A 101 -6.199 3.640 -8.739 1.00 0.00 O ATOM 1628 CB HIS A 101 -3.524 2.563 -9.779 1.00 0.00 C ATOM 1629 CG HIS A 101 -4.299 2.068 -10.977 1.00 0.00 C ATOM 1630 ND1 HIS A 101 -3.713 1.349 -12.004 1.00 0.00 N ATOM 1631 CD2 HIS A 101 -5.618 2.197 -11.301 1.00 0.00 C ATOM 1632 CE1 HIS A 101 -4.647 1.063 -12.900 1.00 0.00 C ATOM 1633 NE2 HIS A 101 -5.826 1.590 -12.463 1.00 0.00 N ATOM 0 H HIS A 101 -5.751 1.014 -9.048 1.00 0.00 H new ATOM 0 HA HIS A 101 -3.436 2.289 -7.685 1.00 0.00 H new ATOM 0 HB2 HIS A 101 -3.348 3.633 -9.890 1.00 0.00 H new ATOM 0 HB3 HIS A 101 -2.548 2.079 -9.765 1.00 0.00 H new ATOM 0 HD2 HIS A 101 -6.366 2.707 -10.712 1.00 0.00 H new ATOM 0 HE1 HIS A 101 -4.500 0.510 -13.816 1.00 0.00 H new ATOM 0 HE2 HIS A 101 -6.721 1.528 -12.949 1.00 0.00 H new ATOM 1641 N PHE A 102 -4.865 4.114 -6.975 1.00 0.00 N ATOM 1642 CA PHE A 102 -5.698 5.204 -6.497 1.00 0.00 C ATOM 1643 C PHE A 102 -5.055 6.559 -6.801 1.00 0.00 C ATOM 1644 O PHE A 102 -3.840 6.650 -6.972 1.00 0.00 O ATOM 1645 CB PHE A 102 -5.821 5.040 -4.980 1.00 0.00 C ATOM 1646 CG PHE A 102 -6.552 3.767 -4.550 1.00 0.00 C ATOM 1647 CD1 PHE A 102 -7.559 3.269 -5.316 1.00 0.00 C ATOM 1648 CD2 PHE A 102 -6.195 3.134 -3.400 1.00 0.00 C ATOM 1649 CE1 PHE A 102 -8.238 2.087 -4.916 1.00 0.00 C ATOM 1650 CE2 PHE A 102 -6.874 1.952 -3.000 1.00 0.00 C ATOM 1651 CZ PHE A 102 -7.881 1.454 -3.767 1.00 0.00 C ATOM 0 H PHE A 102 -4.032 3.936 -6.414 1.00 0.00 H new ATOM 0 HA PHE A 102 -6.670 5.174 -6.990 1.00 0.00 H new ATOM 0 HB2 PHE A 102 -4.823 5.039 -4.543 1.00 0.00 H new ATOM 0 HB3 PHE A 102 -6.346 5.904 -4.573 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -7.843 3.772 -6.229 1.00 0.00 H new ATOM 0 HD2 PHE A 102 -5.396 3.530 -2.791 1.00 0.00 H new ATOM 0 HE1 PHE A 102 -9.038 1.691 -5.525 1.00 0.00 H new ATOM 0 HE2 PHE A 102 -6.591 1.449 -2.087 1.00 0.00 H new ATOM 0 HZ PHE A 102 -8.397 0.555 -3.463 1.00 0.00 H new ATOM 1661 N ALA A 103 -5.899 7.579 -6.858 1.00 0.00 N ATOM 1662 CA ALA A 103 -5.429 8.925 -7.138 1.00 0.00 C ATOM 1663 C ALA A 103 -5.260 9.685 -5.822 1.00 0.00 C ATOM 1664 O ALA A 103 -5.999 9.452 -4.867 1.00 0.00 O ATOM 1665 CB ALA A 103 -6.405 9.618 -8.091 1.00 0.00 C ATOM 0 H ALA A 103 -6.906 7.500 -6.715 1.00 0.00 H new ATOM 0 HA ALA A 103 -4.457 8.898 -7.630 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -6.053 10.628 -8.301 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -6.467 9.054 -9.022 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -7.391 9.666 -7.630 1.00 0.00 H new ATOM 1671 N LYS A 104 -4.282 10.580 -5.814 1.00 0.00 N ATOM 1672 CA LYS A 104 -4.006 11.376 -4.630 1.00 0.00 C ATOM 1673 C LYS A 104 -5.324 11.715 -3.930 1.00 0.00 C ATOM 1674 O LYS A 104 -5.511 11.387 -2.760 1.00 0.00 O ATOM 1675 CB LYS A 104 -3.170 12.605 -4.994 1.00 0.00 C ATOM 1676 CG LYS A 104 -1.798 12.554 -4.318 1.00 0.00 C ATOM 1677 CD LYS A 104 -0.738 13.245 -5.177 1.00 0.00 C ATOM 1678 CE LYS A 104 0.298 13.955 -4.303 1.00 0.00 C ATOM 1679 NZ LYS A 104 1.277 12.983 -3.767 1.00 0.00 N ATOM 0 H LYS A 104 -3.671 10.771 -6.608 1.00 0.00 H new ATOM 0 HA LYS A 104 -3.404 10.808 -3.921 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -3.045 12.657 -6.076 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -3.696 13.510 -4.690 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -1.851 13.036 -3.342 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -1.512 11.516 -4.146 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -0.242 12.510 -5.810 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -1.216 13.966 -5.840 1.00 0.00 H new ATOM 0 HE2 LYS A 104 0.815 14.716 -4.887 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -0.201 14.468 -3.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 1.973 13.481 -3.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 0.781 12.272 -3.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 1.766 12.512 -4.555 1.00 0.00 H new ATOM 1693 N PRO A 105 -6.227 12.384 -4.697 1.00 0.00 N ATOM 1694 CA PRO A 105 -7.521 12.770 -4.162 1.00 0.00 C ATOM 1695 C PRO A 105 -8.454 11.562 -4.057 1.00 0.00 C ATOM 1696 O PRO A 105 -9.261 11.316 -4.952 1.00 0.00 O ATOM 1697 CB PRO A 105 -8.037 13.837 -5.114 1.00 0.00 C ATOM 1698 CG PRO A 105 -7.232 13.679 -6.394 1.00 0.00 C ATOM 1699 CD PRO A 105 -6.039 12.788 -6.087 1.00 0.00 C ATOM 0 HA PRO A 105 -7.457 13.158 -3.145 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -9.102 13.708 -5.304 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -7.907 14.833 -4.691 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -7.846 13.238 -7.179 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -6.899 14.651 -6.758 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -6.009 11.923 -6.750 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -5.099 13.324 -6.220 1.00 0.00 H new ATOM 1707 N PHE A 106 -8.312 10.839 -2.956 1.00 0.00 N ATOM 1708 CA PHE A 106 -9.132 9.663 -2.722 1.00 0.00 C ATOM 1709 C PHE A 106 -9.743 9.690 -1.319 1.00 0.00 C ATOM 1710 O PHE A 106 -9.284 10.432 -0.453 1.00 0.00 O ATOM 1711 CB PHE A 106 -8.212 8.446 -2.841 1.00 0.00 C ATOM 1712 CG PHE A 106 -8.613 7.469 -3.948 1.00 0.00 C ATOM 1713 CD1 PHE A 106 -8.681 7.894 -5.238 1.00 0.00 C ATOM 1714 CD2 PHE A 106 -8.901 6.175 -3.642 1.00 0.00 C ATOM 1715 CE1 PHE A 106 -9.053 6.987 -6.266 1.00 0.00 C ATOM 1716 CE2 PHE A 106 -9.273 5.269 -4.670 1.00 0.00 C ATOM 1717 CZ PHE A 106 -9.341 5.694 -5.960 1.00 0.00 C ATOM 0 H PHE A 106 -7.641 11.045 -2.216 1.00 0.00 H new ATOM 0 HA PHE A 106 -9.948 9.629 -3.444 1.00 0.00 H new ATOM 0 HB2 PHE A 106 -7.194 8.789 -3.025 1.00 0.00 H new ATOM 0 HB3 PHE A 106 -8.202 7.916 -1.889 1.00 0.00 H new ATOM 0 HD1 PHE A 106 -8.452 8.921 -5.481 1.00 0.00 H new ATOM 0 HD2 PHE A 106 -8.847 5.837 -2.618 1.00 0.00 H new ATOM 0 HE1 PHE A 106 -9.107 7.324 -7.290 1.00 0.00 H new ATOM 0 HE2 PHE A 106 -9.502 4.242 -4.427 1.00 0.00 H new ATOM 0 HZ PHE A 106 -9.624 5.004 -6.742 1.00 0.00 H new ATOM 1727 N ASP A 107 -10.769 8.871 -1.140 1.00 0.00 N ATOM 1728 CA ASP A 107 -11.447 8.792 0.143 1.00 0.00 C ATOM 1729 C ASP A 107 -11.246 7.396 0.736 1.00 0.00 C ATOM 1730 O ASP A 107 -11.217 6.406 0.007 1.00 0.00 O ATOM 1731 CB ASP A 107 -12.951 9.026 -0.014 1.00 0.00 C ATOM 1732 CG ASP A 107 -13.543 10.079 0.924 1.00 0.00 C ATOM 1733 OD1 ASP A 107 -12.824 10.465 1.871 1.00 0.00 O ATOM 1734 OD2 ASP A 107 -14.702 10.475 0.674 1.00 0.00 O ATOM 0 H ASP A 107 -11.147 8.257 -1.861 1.00 0.00 H new ATOM 0 HA ASP A 107 -11.028 9.560 0.794 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -13.152 9.324 -1.043 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -13.470 8.082 0.151 1.00 0.00 H new ATOM 1739 N ILE A 108 -11.111 7.362 2.054 1.00 0.00 N ATOM 1740 CA ILE A 108 -10.913 6.105 2.754 1.00 0.00 C ATOM 1741 C ILE A 108 -12.212 5.296 2.718 1.00 0.00 C ATOM 1742 O ILE A 108 -12.182 4.072 2.603 1.00 0.00 O ATOM 1743 CB ILE A 108 -10.384 6.355 4.167 1.00 0.00 C ATOM 1744 CG1 ILE A 108 -8.854 6.378 4.184 1.00 0.00 C ATOM 1745 CG2 ILE A 108 -10.952 5.335 5.155 1.00 0.00 C ATOM 1746 CD1 ILE A 108 -8.306 7.242 3.046 1.00 0.00 C ATOM 0 H ILE A 108 -11.135 8.186 2.655 1.00 0.00 H new ATOM 0 HA ILE A 108 -10.150 5.508 2.255 1.00 0.00 H new ATOM 0 HB ILE A 108 -10.725 7.339 4.489 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -8.503 6.765 5.141 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -8.470 5.362 4.091 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -10.559 5.536 6.152 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -12.039 5.411 5.171 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -10.663 4.330 4.847 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -7.217 7.241 3.081 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -8.639 6.838 2.090 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -8.672 8.263 3.156 1.00 0.00 H new ATOM 1758 N ASP A 109 -13.321 6.013 2.819 1.00 0.00 N ATOM 1759 CA ASP A 109 -14.627 5.378 2.800 1.00 0.00 C ATOM 1760 C ASP A 109 -14.745 4.500 1.552 1.00 0.00 C ATOM 1761 O ASP A 109 -15.277 3.393 1.615 1.00 0.00 O ATOM 1762 CB ASP A 109 -15.746 6.420 2.752 1.00 0.00 C ATOM 1763 CG ASP A 109 -17.160 5.847 2.634 1.00 0.00 C ATOM 1764 OD1 ASP A 109 -17.580 5.171 3.598 1.00 0.00 O ATOM 1765 OD2 ASP A 109 -17.788 6.096 1.583 1.00 0.00 O ATOM 0 H ASP A 109 -13.342 7.028 2.914 1.00 0.00 H new ATOM 0 HA ASP A 109 -14.726 4.784 3.709 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -15.692 7.031 3.653 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -15.568 7.084 1.906 1.00 0.00 H new ATOM 1770 N GLU A 110 -14.239 5.028 0.447 1.00 0.00 N ATOM 1771 CA GLU A 110 -14.280 4.307 -0.814 1.00 0.00 C ATOM 1772 C GLU A 110 -13.304 3.129 -0.784 1.00 0.00 C ATOM 1773 O GLU A 110 -13.604 2.056 -1.306 1.00 0.00 O ATOM 1774 CB GLU A 110 -13.978 5.239 -1.989 1.00 0.00 C ATOM 1775 CG GLU A 110 -14.556 6.634 -1.744 1.00 0.00 C ATOM 1776 CD GLU A 110 -15.479 7.054 -2.890 1.00 0.00 C ATOM 1777 OE1 GLU A 110 -16.605 6.513 -2.939 1.00 0.00 O ATOM 1778 OE2 GLU A 110 -15.038 7.906 -3.691 1.00 0.00 O ATOM 0 H GLU A 110 -13.798 5.947 0.399 1.00 0.00 H new ATOM 0 HA GLU A 110 -15.288 3.915 -0.953 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -12.900 5.308 -2.135 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -14.398 4.823 -2.905 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -15.109 6.643 -0.805 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -13.745 7.355 -1.643 1.00 0.00 H new ATOM 1785 N ILE A 111 -12.156 3.368 -0.167 1.00 0.00 N ATOM 1786 CA ILE A 111 -11.135 2.340 -0.062 1.00 0.00 C ATOM 1787 C ILE A 111 -11.652 1.202 0.820 1.00 0.00 C ATOM 1788 O ILE A 111 -11.203 0.063 0.696 1.00 0.00 O ATOM 1789 CB ILE A 111 -9.815 2.944 0.424 1.00 0.00 C ATOM 1790 CG1 ILE A 111 -9.055 3.601 -0.730 1.00 0.00 C ATOM 1791 CG2 ILE A 111 -8.967 1.897 1.148 1.00 0.00 C ATOM 1792 CD1 ILE A 111 -8.025 4.604 -0.207 1.00 0.00 C ATOM 0 H ILE A 111 -11.911 4.259 0.265 1.00 0.00 H new ATOM 0 HA ILE A 111 -10.922 1.913 -1.042 1.00 0.00 H new ATOM 0 HB ILE A 111 -10.043 3.728 1.146 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -8.554 2.836 -1.323 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -9.758 4.107 -1.392 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -8.035 2.352 1.483 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -9.516 1.517 2.010 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -8.745 1.075 0.468 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -7.499 5.057 -1.047 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -8.532 5.381 0.365 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -7.310 4.090 0.435 1.00 0.00 H new ATOM 1804 N ARG A 112 -12.587 1.549 1.691 1.00 0.00 N ATOM 1805 CA ARG A 112 -13.170 0.570 2.594 1.00 0.00 C ATOM 1806 C ARG A 112 -13.902 -0.513 1.800 1.00 0.00 C ATOM 1807 O ARG A 112 -14.052 -1.639 2.272 1.00 0.00 O ATOM 1808 CB ARG A 112 -14.150 1.231 3.565 1.00 0.00 C ATOM 1809 CG ARG A 112 -13.428 2.214 4.489 1.00 0.00 C ATOM 1810 CD ARG A 112 -14.002 2.157 5.906 1.00 0.00 C ATOM 1811 NE ARG A 112 -14.705 3.422 6.218 1.00 0.00 N ATOM 1812 CZ ARG A 112 -15.500 3.596 7.283 1.00 0.00 C ATOM 1813 NH1 ARG A 112 -15.698 2.589 8.144 1.00 0.00 N ATOM 1814 NH2 ARG A 112 -16.097 4.779 7.486 1.00 0.00 N ATOM 0 H ARG A 112 -12.956 2.495 1.791 1.00 0.00 H new ATOM 0 HA ARG A 112 -12.358 0.121 3.166 1.00 0.00 H new ATOM 0 HB2 ARG A 112 -14.925 1.755 3.005 1.00 0.00 H new ATOM 0 HB3 ARG A 112 -14.649 0.466 4.160 1.00 0.00 H new ATOM 0 HG2 ARG A 112 -12.364 1.980 4.514 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -13.523 3.226 4.095 1.00 0.00 H new ATOM 0 HD2 ARG A 112 -14.691 1.317 5.995 1.00 0.00 H new ATOM 0 HD3 ARG A 112 -13.201 1.990 6.626 1.00 0.00 H new ATOM 0 HE ARG A 112 -14.576 4.210 5.583 1.00 0.00 H new ATOM 0 HH11 ARG A 112 -15.244 1.689 7.989 1.00 0.00 H new ATOM 0 HH12 ARG A 112 -16.303 2.722 8.954 1.00 0.00 H new ATOM 0 HH21 ARG A 112 -15.946 5.546 6.830 1.00 0.00 H new ATOM 0 HH22 ARG A 112 -16.702 4.912 8.296 1.00 0.00 H new ATOM 1828 N ASP A 113 -14.340 -0.135 0.608 1.00 0.00 N ATOM 1829 CA ASP A 113 -15.053 -1.061 -0.256 1.00 0.00 C ATOM 1830 C ASP A 113 -14.044 -1.863 -1.081 1.00 0.00 C ATOM 1831 O ASP A 113 -14.202 -3.069 -1.260 1.00 0.00 O ATOM 1832 CB ASP A 113 -15.969 -0.314 -1.227 1.00 0.00 C ATOM 1833 CG ASP A 113 -17.442 -0.724 -1.172 1.00 0.00 C ATOM 1834 OD1 ASP A 113 -17.690 -1.903 -0.839 1.00 0.00 O ATOM 1835 OD2 ASP A 113 -18.286 0.150 -1.464 1.00 0.00 O ATOM 0 H ASP A 113 -14.215 0.800 0.220 1.00 0.00 H new ATOM 0 HA ASP A 113 -15.653 -1.716 0.375 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -15.897 0.754 -1.022 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -15.602 -0.469 -2.241 1.00 0.00 H new ATOM 1840 N ALA A 114 -13.028 -1.160 -1.561 1.00 0.00 N ATOM 1841 CA ALA A 114 -11.993 -1.791 -2.362 1.00 0.00 C ATOM 1842 C ALA A 114 -11.155 -2.710 -1.472 1.00 0.00 C ATOM 1843 O ALA A 114 -10.511 -3.637 -1.962 1.00 0.00 O ATOM 1844 CB ALA A 114 -11.150 -0.714 -3.047 1.00 0.00 C ATOM 0 H ALA A 114 -12.900 -0.159 -1.410 1.00 0.00 H new ATOM 0 HA ALA A 114 -12.435 -2.406 -3.146 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -10.373 -1.187 -3.648 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -11.787 -0.107 -3.690 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -10.687 -0.079 -2.292 1.00 0.00 H new ATOM 1850 N VAL A 115 -11.189 -2.421 -0.179 1.00 0.00 N ATOM 1851 CA VAL A 115 -10.439 -3.210 0.784 1.00 0.00 C ATOM 1852 C VAL A 115 -11.037 -4.616 0.860 1.00 0.00 C ATOM 1853 O VAL A 115 -10.332 -5.579 1.158 1.00 0.00 O ATOM 1854 CB VAL A 115 -10.414 -2.497 2.137 1.00 0.00 C ATOM 1855 CG1 VAL A 115 -10.111 -3.481 3.269 1.00 0.00 C ATOM 1856 CG2 VAL A 115 -9.411 -1.342 2.131 1.00 0.00 C ATOM 0 H VAL A 115 -11.724 -1.652 0.224 1.00 0.00 H new ATOM 0 HA VAL A 115 -9.401 -3.315 0.467 1.00 0.00 H new ATOM 0 HB VAL A 115 -11.405 -2.078 2.313 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -10.099 -2.949 4.220 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -10.880 -4.253 3.295 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -9.138 -3.943 3.099 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -9.414 -0.853 3.105 1.00 0.00 H new ATOM 0 HG22 VAL A 115 -8.413 -1.728 1.921 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -9.690 -0.622 1.362 1.00 0.00 H new