USER MOD reduce.3.24.130724 H: found=0, std=0, add=673, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 674 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 Single : A 9 MET CE :methyl -152:sc= -0.628 (180deg=-1.27) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= -0.378 X(o=-0.38,f=-0.22) USER MOD Single : A 17 LYS NZ :NH3+ 162:sc= 0.996 (180deg=0.932) USER MOD Single : A 19 GLN : amide:sc= 0.323 X(o=0.32,f=0) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ -160:sc= -0.0277 (180deg=-0.201) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 ASN : amide:sc= -1.76 K(o=-1.8,f=-2.9!) USER MOD Single : A 35 THR OG1 : rot -170:sc= 0.541 USER MOD Single : A 38 GLN : amide:sc= -0.779 K(o=-0.78,f=-3.8!) USER MOD Single : A 39 LYS NZ :NH3+ -151:sc= -1.37 (180deg=-2.78!) USER MOD Single : A 46 ASN : amide:sc= -1.39 K(o=-1.4,f=-7!) USER MOD Single : A 47 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 SER OG : rot 71:sc= 0.186 USER MOD Single : A 56 SER OG : rot 180:sc= 0.0782 USER MOD Single : A 57 LYS NZ :NH3+ 147:sc= 0.127 (180deg=0) USER MOD Single : A 58 THR OG1 : rot -160:sc= 0.0299 USER MOD Single : A 60 MET CE :methyl -126:sc= -0.669 (180deg=-3.82!) USER MOD Single : A 62 ASN : amide:sc= 0.277 K(o=0.28,f=-0.25) USER MOD Single : A 63 TYR OH : rot 90:sc= -0.588 USER MOD Single : A 66 SER OG : rot -51:sc= 1.06 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 80 MET CE :methyl -122:sc= -2.36! (180deg=-5.58!) USER MOD Single : A 82 TYR OH : rot 5:sc= 0.262 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 GLN : amide:sc= -1.17 X(o=-1.2,f=-1.4) USER MOD ----------------------------------------------------------------- ATOM 68 N ASP A 8 2.336 8.072 1.455 1.00 0.00 N ATOM 69 CA ASP A 8 1.025 8.689 1.629 1.00 0.00 C ATOM 70 C ASP A 8 0.014 7.675 2.159 1.00 0.00 C ATOM 71 O ASP A 8 -1.128 7.626 1.702 1.00 0.00 O ATOM 72 CB ASP A 8 0.536 9.277 0.303 1.00 0.00 C ATOM 73 CG ASP A 8 -0.043 10.669 0.467 1.00 0.00 C ATOM 74 OD1 ASP A 8 -0.588 10.961 1.552 1.00 0.00 O ATOM 75 OD2 ASP A 8 0.049 11.466 -0.490 1.00 0.00 O ATOM 0 HA ASP A 8 1.120 9.493 2.359 1.00 0.00 H new ATOM 0 HB2 ASP A 8 1.365 9.312 -0.404 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -0.221 8.620 -0.126 1.00 0.00 H new ATOM 80 N MET A 9 0.443 6.869 3.124 1.00 0.00 N ATOM 81 CA MET A 9 -0.424 5.857 3.716 1.00 0.00 C ATOM 82 C MET A 9 -1.167 6.414 4.928 1.00 0.00 C ATOM 83 O MET A 9 -2.251 5.944 5.272 1.00 0.00 O ATOM 84 CB MET A 9 0.393 4.630 4.124 1.00 0.00 C ATOM 85 CG MET A 9 0.600 3.633 2.994 1.00 0.00 C ATOM 86 SD MET A 9 0.225 1.938 3.480 1.00 0.00 S ATOM 87 CE MET A 9 -0.529 1.314 1.981 1.00 0.00 C ATOM 0 H MET A 9 1.386 6.897 3.513 1.00 0.00 H new ATOM 0 HA MET A 9 -1.159 5.563 2.967 1.00 0.00 H new ATOM 0 HB2 MET A 9 1.366 4.957 4.491 1.00 0.00 H new ATOM 0 HB3 MET A 9 -0.108 4.129 4.952 1.00 0.00 H new ATOM 0 HG2 MET A 9 -0.030 3.912 2.150 1.00 0.00 H new ATOM 0 HG3 MET A 9 1.634 3.688 2.652 1.00 0.00 H new ATOM 0 HE1 MET A 9 -1.234 0.521 2.231 1.00 0.00 H new ATOM 0 HE2 MET A 9 -1.057 2.123 1.476 1.00 0.00 H new ATOM 0 HE3 MET A 9 0.244 0.918 1.322 1.00 0.00 H new ATOM 97 N LYS A 10 -0.576 7.416 5.572 1.00 0.00 N ATOM 98 CA LYS A 10 -1.183 8.035 6.745 1.00 0.00 C ATOM 99 C LYS A 10 -2.580 8.559 6.427 1.00 0.00 C ATOM 100 O LYS A 10 -3.454 8.591 7.293 1.00 0.00 O ATOM 101 CB LYS A 10 -0.303 9.177 7.258 1.00 0.00 C ATOM 102 CG LYS A 10 0.778 8.726 8.226 1.00 0.00 C ATOM 103 CD LYS A 10 2.052 9.536 8.057 1.00 0.00 C ATOM 104 CE LYS A 10 3.084 8.785 7.229 1.00 0.00 C ATOM 105 NZ LYS A 10 4.176 9.681 6.757 1.00 0.00 N ATOM 0 H LYS A 10 0.322 7.816 5.301 1.00 0.00 H new ATOM 0 HA LYS A 10 -1.269 7.274 7.520 1.00 0.00 H new ATOM 0 HB2 LYS A 10 0.166 9.673 6.408 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -0.934 9.917 7.750 1.00 0.00 H new ATOM 0 HG2 LYS A 10 0.416 8.825 9.249 1.00 0.00 H new ATOM 0 HG3 LYS A 10 0.994 7.670 8.065 1.00 0.00 H new ATOM 0 HD2 LYS A 10 1.819 10.486 7.576 1.00 0.00 H new ATOM 0 HD3 LYS A 10 2.469 9.769 9.037 1.00 0.00 H new ATOM 0 HE2 LYS A 10 3.509 7.977 7.825 1.00 0.00 H new ATOM 0 HE3 LYS A 10 2.595 8.325 6.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 4.858 9.131 6.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 3.774 10.438 6.168 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 4.659 10.101 7.577 1.00 0.00 H new ATOM 119 N GLN A 11 -2.783 8.969 5.179 1.00 0.00 N ATOM 120 CA GLN A 11 -4.075 9.491 4.748 1.00 0.00 C ATOM 121 C GLN A 11 -5.109 8.374 4.645 1.00 0.00 C ATOM 122 O GLN A 11 -6.303 8.600 4.834 1.00 0.00 O ATOM 123 CB GLN A 11 -3.938 10.201 3.399 1.00 0.00 C ATOM 124 CG GLN A 11 -3.431 9.301 2.285 1.00 0.00 C ATOM 125 CD GLN A 11 -4.087 9.599 0.950 1.00 0.00 C ATOM 126 OE1 GLN A 11 -3.407 9.794 -0.058 1.00 0.00 O ATOM 127 NE2 GLN A 11 -5.414 9.638 0.938 1.00 0.00 N ATOM 0 H GLN A 11 -2.071 8.950 4.449 1.00 0.00 H new ATOM 0 HA GLN A 11 -4.415 10.207 5.496 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -4.908 10.608 3.112 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -3.258 11.045 3.510 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -2.352 9.420 2.190 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -3.615 8.260 2.552 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -5.937 9.470 1.798 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -5.911 9.836 0.069 1.00 0.00 H new ATOM 136 N LEU A 12 -4.641 7.166 4.345 1.00 0.00 N ATOM 137 CA LEU A 12 -5.525 6.013 4.218 1.00 0.00 C ATOM 138 C LEU A 12 -6.119 5.632 5.572 1.00 0.00 C ATOM 139 O LEU A 12 -5.435 5.673 6.594 1.00 0.00 O ATOM 140 CB LEU A 12 -4.765 4.824 3.626 1.00 0.00 C ATOM 141 CG LEU A 12 -4.918 4.647 2.115 1.00 0.00 C ATOM 142 CD1 LEU A 12 -4.147 3.425 1.640 1.00 0.00 C ATOM 143 CD2 LEU A 12 -6.388 4.532 1.739 1.00 0.00 C ATOM 0 H LEU A 12 -3.655 6.961 4.185 1.00 0.00 H new ATOM 0 HA LEU A 12 -6.341 6.283 3.547 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -3.706 4.937 3.858 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -5.104 3.913 4.120 1.00 0.00 H new ATOM 0 HG LEU A 12 -4.504 5.526 1.621 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -4.268 3.315 0.562 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -3.090 3.547 1.876 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -4.530 2.536 2.141 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -6.479 4.407 0.660 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -6.826 3.670 2.243 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -6.914 5.437 2.045 1.00 0.00 H new ATOM 155 N ALA A 13 -7.395 5.260 5.569 1.00 0.00 N ATOM 156 CA ALA A 13 -8.081 4.872 6.795 1.00 0.00 C ATOM 157 C ALA A 13 -7.746 3.434 7.178 1.00 0.00 C ATOM 158 O ALA A 13 -7.427 2.610 6.321 1.00 0.00 O ATOM 159 CB ALA A 13 -9.584 5.042 6.636 1.00 0.00 C ATOM 0 H ALA A 13 -7.975 5.219 4.731 1.00 0.00 H new ATOM 0 HA ALA A 13 -7.737 5.524 7.597 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -10.083 4.748 7.559 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -9.811 6.085 6.417 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -9.937 4.414 5.818 1.00 0.00 H new ATOM 165 N GLU A 14 -7.820 3.139 8.471 1.00 0.00 N ATOM 166 CA GLU A 14 -7.524 1.800 8.968 1.00 0.00 C ATOM 167 C GLU A 14 -8.471 0.771 8.356 1.00 0.00 C ATOM 168 O GLU A 14 -8.068 -0.351 8.048 1.00 0.00 O ATOM 169 CB GLU A 14 -7.632 1.764 10.493 1.00 0.00 C ATOM 170 CG GLU A 14 -6.653 0.802 11.149 1.00 0.00 C ATOM 171 CD GLU A 14 -7.287 -0.003 12.266 1.00 0.00 C ATOM 172 OE1 GLU A 14 -8.132 0.557 12.996 1.00 0.00 O ATOM 173 OE2 GLU A 14 -6.941 -1.194 12.410 1.00 0.00 O ATOM 0 H GLU A 14 -8.082 3.809 9.194 1.00 0.00 H new ATOM 0 HA GLU A 14 -6.504 1.549 8.676 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -7.461 2.767 10.885 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -8.648 1.482 10.771 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -6.258 0.121 10.395 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -5.808 1.364 11.546 1.00 0.00 H new ATOM 180 N ASP A 15 -9.729 1.160 8.184 1.00 0.00 N ATOM 181 CA ASP A 15 -10.732 0.272 7.609 1.00 0.00 C ATOM 182 C ASP A 15 -10.336 -0.160 6.201 1.00 0.00 C ATOM 183 O ASP A 15 -10.661 -1.265 5.766 1.00 0.00 O ATOM 184 CB ASP A 15 -12.098 0.962 7.578 1.00 0.00 C ATOM 185 CG ASP A 15 -12.926 0.662 8.812 1.00 0.00 C ATOM 186 OD1 ASP A 15 -12.339 0.253 9.836 1.00 0.00 O ATOM 187 OD2 ASP A 15 -14.161 0.836 8.755 1.00 0.00 O ATOM 0 H ASP A 15 -10.079 2.085 8.435 1.00 0.00 H new ATOM 0 HA ASP A 15 -10.795 -0.617 8.237 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -11.956 2.039 7.492 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -12.644 0.641 6.691 1.00 0.00 H new ATOM 192 N VAL A 16 -9.631 0.718 5.495 1.00 0.00 N ATOM 193 CA VAL A 16 -9.189 0.426 4.136 1.00 0.00 C ATOM 194 C VAL A 16 -8.141 -0.680 4.124 1.00 0.00 C ATOM 195 O VAL A 16 -8.265 -1.659 3.387 1.00 0.00 O ATOM 196 CB VAL A 16 -8.606 1.677 3.453 1.00 0.00 C ATOM 197 CG1 VAL A 16 -8.340 1.408 1.981 1.00 0.00 C ATOM 198 CG2 VAL A 16 -9.540 2.865 3.626 1.00 0.00 C ATOM 0 H VAL A 16 -9.354 1.637 5.841 1.00 0.00 H new ATOM 0 HA VAL A 16 -10.068 0.096 3.583 1.00 0.00 H new ATOM 0 HB VAL A 16 -7.657 1.919 3.931 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -7.928 2.304 1.516 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -7.628 0.589 1.884 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -9.273 1.138 1.486 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -9.111 3.739 3.137 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -10.507 2.636 3.178 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -9.673 3.072 4.688 1.00 0.00 H new ATOM 208 N LYS A 17 -7.108 -0.519 4.944 1.00 0.00 N ATOM 209 CA LYS A 17 -6.036 -1.505 5.027 1.00 0.00 C ATOM 210 C LYS A 17 -6.526 -2.790 5.688 1.00 0.00 C ATOM 211 O LYS A 17 -6.022 -3.877 5.404 1.00 0.00 O ATOM 212 CB LYS A 17 -4.851 -0.936 5.809 1.00 0.00 C ATOM 213 CG LYS A 17 -4.198 0.262 5.139 1.00 0.00 C ATOM 214 CD LYS A 17 -4.545 1.559 5.852 1.00 0.00 C ATOM 215 CE LYS A 17 -3.362 2.512 5.882 1.00 0.00 C ATOM 216 NZ LYS A 17 -3.555 3.608 6.871 1.00 0.00 N ATOM 0 H LYS A 17 -6.990 0.285 5.561 1.00 0.00 H new ATOM 0 HA LYS A 17 -5.715 -1.740 4.012 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -5.189 -0.646 6.804 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -4.104 -1.719 5.942 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -3.116 0.129 5.129 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -4.521 0.320 4.100 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -5.386 2.037 5.350 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -4.864 1.341 6.871 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -2.456 1.958 6.127 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -3.216 2.940 4.890 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -2.637 4.048 7.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -4.198 4.324 6.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -3.965 3.219 7.744 1.00 0.00 H new ATOM 230 N LEU A 18 -7.511 -2.658 6.572 1.00 0.00 N ATOM 231 CA LEU A 18 -8.068 -3.809 7.274 1.00 0.00 C ATOM 232 C LEU A 18 -8.616 -4.838 6.289 1.00 0.00 C ATOM 233 O LEU A 18 -8.424 -6.041 6.461 1.00 0.00 O ATOM 234 CB LEU A 18 -9.174 -3.363 8.231 1.00 0.00 C ATOM 235 CG LEU A 18 -8.694 -2.928 9.617 1.00 0.00 C ATOM 236 CD1 LEU A 18 -9.822 -2.258 10.385 1.00 0.00 C ATOM 237 CD2 LEU A 18 -8.153 -4.121 10.390 1.00 0.00 C ATOM 0 H LEU A 18 -7.939 -1.766 6.819 1.00 0.00 H new ATOM 0 HA LEU A 18 -7.266 -4.274 7.847 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -9.716 -2.535 7.775 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -9.883 -4.182 8.349 1.00 0.00 H new ATOM 0 HG LEU A 18 -7.888 -2.205 9.493 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -9.463 -1.955 11.369 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -10.164 -1.380 9.837 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -10.649 -2.958 10.501 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -7.816 -3.795 11.374 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -8.939 -4.867 10.505 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -7.316 -4.558 9.846 1.00 0.00 H new ATOM 249 N GLN A 19 -9.299 -4.355 5.256 1.00 0.00 N ATOM 250 CA GLN A 19 -9.877 -5.234 4.244 1.00 0.00 C ATOM 251 C GLN A 19 -8.786 -5.873 3.392 1.00 0.00 C ATOM 252 O GLN A 19 -8.933 -7.002 2.923 1.00 0.00 O ATOM 253 CB GLN A 19 -10.843 -4.452 3.353 1.00 0.00 C ATOM 254 CG GLN A 19 -11.932 -3.725 4.126 1.00 0.00 C ATOM 255 CD GLN A 19 -12.694 -2.734 3.269 1.00 0.00 C ATOM 256 OE1 GLN A 19 -13.149 -3.064 2.174 1.00 0.00 O ATOM 257 NE2 GLN A 19 -12.835 -1.510 3.764 1.00 0.00 N ATOM 0 H GLN A 19 -9.466 -3.361 5.097 1.00 0.00 H new ATOM 0 HA GLN A 19 -10.424 -6.026 4.755 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -10.278 -3.726 2.768 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -11.308 -5.139 2.645 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -12.629 -4.455 4.537 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -11.484 -3.201 4.970 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -12.441 -1.280 4.676 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -13.337 -0.799 3.232 1.00 0.00 H new ATOM 266 N LEU A 20 -7.691 -5.146 3.196 1.00 0.00 N ATOM 267 CA LEU A 20 -6.575 -5.644 2.400 1.00 0.00 C ATOM 268 C LEU A 20 -6.005 -6.924 3.003 1.00 0.00 C ATOM 269 O LEU A 20 -5.613 -7.841 2.282 1.00 0.00 O ATOM 270 CB LEU A 20 -5.479 -4.582 2.301 1.00 0.00 C ATOM 271 CG LEU A 20 -5.687 -3.536 1.204 1.00 0.00 C ATOM 272 CD1 LEU A 20 -4.852 -2.297 1.483 1.00 0.00 C ATOM 273 CD2 LEU A 20 -5.341 -4.118 -0.158 1.00 0.00 C ATOM 0 H LEU A 20 -7.553 -4.210 3.577 1.00 0.00 H new ATOM 0 HA LEU A 20 -6.946 -5.869 1.400 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -5.403 -4.070 3.260 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -4.525 -5.081 2.130 1.00 0.00 H new ATOM 0 HG LEU A 20 -6.738 -3.247 1.198 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -5.013 -1.564 0.692 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -5.146 -1.868 2.441 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -3.797 -2.569 1.516 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -5.495 -3.361 -0.927 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -4.298 -4.435 -0.164 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -5.982 -4.976 -0.361 1.00 0.00 H new ATOM 285 N TYR A 21 -5.963 -6.978 4.330 1.00 0.00 N ATOM 286 CA TYR A 21 -5.441 -8.145 5.032 1.00 0.00 C ATOM 287 C TYR A 21 -6.257 -9.390 4.703 1.00 0.00 C ATOM 288 O TYR A 21 -5.731 -10.504 4.688 1.00 0.00 O ATOM 289 CB TYR A 21 -5.447 -7.903 6.542 1.00 0.00 C ATOM 290 CG TYR A 21 -4.729 -6.639 6.957 1.00 0.00 C ATOM 291 CD1 TYR A 21 -3.494 -6.309 6.414 1.00 0.00 C ATOM 292 CD2 TYR A 21 -5.287 -5.776 7.893 1.00 0.00 C ATOM 293 CE1 TYR A 21 -2.834 -5.155 6.791 1.00 0.00 C ATOM 294 CE2 TYR A 21 -4.633 -4.620 8.275 1.00 0.00 C ATOM 295 CZ TYR A 21 -3.407 -4.314 7.722 1.00 0.00 C ATOM 296 OH TYR A 21 -2.754 -3.164 8.100 1.00 0.00 O ATOM 0 H TYR A 21 -6.284 -6.227 4.941 1.00 0.00 H new ATOM 0 HA TYR A 21 -4.415 -8.307 4.700 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -6.479 -7.855 6.889 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -4.983 -8.754 7.039 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -3.042 -6.965 5.685 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -6.247 -6.013 8.328 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -1.874 -4.913 6.359 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -5.080 -3.959 9.003 1.00 0.00 H new ATOM 0 HH TYR A 21 -3.294 -2.684 8.762 1.00 0.00 H new ATOM 306 N LYS A 22 -7.546 -9.196 4.441 1.00 0.00 N ATOM 307 CA LYS A 22 -8.435 -10.306 4.114 1.00 0.00 C ATOM 308 C LYS A 22 -8.240 -10.754 2.669 1.00 0.00 C ATOM 309 O LYS A 22 -8.397 -11.931 2.347 1.00 0.00 O ATOM 310 CB LYS A 22 -9.893 -9.904 4.345 1.00 0.00 C ATOM 311 CG LYS A 22 -10.433 -10.332 5.702 1.00 0.00 C ATOM 312 CD LYS A 22 -10.671 -9.138 6.612 1.00 0.00 C ATOM 313 CE LYS A 22 -11.943 -9.305 7.428 1.00 0.00 C ATOM 314 NZ LYS A 22 -13.163 -9.213 6.578 1.00 0.00 N ATOM 0 H LYS A 22 -7.998 -8.282 4.449 1.00 0.00 H new ATOM 0 HA LYS A 22 -8.188 -11.141 4.769 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -9.982 -8.822 4.252 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -10.511 -10.343 3.562 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -11.366 -10.879 5.567 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -9.729 -11.016 6.175 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -9.821 -9.015 7.283 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -10.738 -8.230 6.013 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -11.925 -10.270 7.935 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -11.981 -8.539 8.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -13.986 -8.992 7.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -13.037 -8.462 5.870 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -13.319 -10.121 6.095 1.00 0.00 H new ATOM 328 N LEU A 23 -7.896 -9.808 1.800 1.00 0.00 N ATOM 329 CA LEU A 23 -7.679 -10.108 0.390 1.00 0.00 C ATOM 330 C LEU A 23 -6.379 -10.881 0.190 1.00 0.00 C ATOM 331 O LEU A 23 -6.355 -11.911 -0.482 1.00 0.00 O ATOM 332 CB LEU A 23 -7.647 -8.817 -0.430 1.00 0.00 C ATOM 333 CG LEU A 23 -8.953 -8.019 -0.435 1.00 0.00 C ATOM 334 CD1 LEU A 23 -8.679 -6.549 -0.711 1.00 0.00 C ATOM 335 CD2 LEU A 23 -9.919 -8.587 -1.464 1.00 0.00 C ATOM 0 H LEU A 23 -7.762 -8.828 2.048 1.00 0.00 H new ATOM 0 HA LEU A 23 -8.507 -10.729 0.047 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -6.851 -8.180 -0.045 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -7.387 -9.065 -1.459 1.00 0.00 H new ATOM 0 HG LEU A 23 -9.412 -8.102 0.550 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -9.619 -5.997 -0.711 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -8.024 -6.149 0.063 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -8.198 -6.445 -1.683 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -10.843 -8.008 -1.455 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -9.468 -8.534 -2.455 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -10.140 -9.626 -1.221 1.00 0.00 H new ATOM 347 N LEU A 24 -5.301 -10.376 0.781 1.00 0.00 N ATOM 348 CA LEU A 24 -3.997 -11.018 0.669 1.00 0.00 C ATOM 349 C LEU A 24 -3.994 -12.375 1.367 1.00 0.00 C ATOM 350 O LEU A 24 -3.246 -13.276 0.988 1.00 0.00 O ATOM 351 CB LEU A 24 -2.912 -10.121 1.268 1.00 0.00 C ATOM 352 CG LEU A 24 -2.917 -8.677 0.765 1.00 0.00 C ATOM 353 CD1 LEU A 24 -1.979 -7.818 1.599 1.00 0.00 C ATOM 354 CD2 LEU A 24 -2.526 -8.624 -0.704 1.00 0.00 C ATOM 0 H LEU A 24 -5.305 -9.524 1.342 1.00 0.00 H new ATOM 0 HA LEU A 24 -3.787 -11.175 -0.389 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -3.026 -10.113 2.352 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -1.938 -10.561 1.053 1.00 0.00 H new ATOM 0 HG LEU A 24 -3.927 -8.280 0.867 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -1.996 -6.794 1.226 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -2.303 -7.831 2.640 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -0.965 -8.213 1.529 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -2.535 -7.589 -1.046 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -1.526 -9.039 -0.830 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -3.237 -9.206 -1.291 1.00 0.00 H new ATOM 366 N GLU A 25 -4.835 -12.514 2.387 1.00 0.00 N ATOM 367 CA GLU A 25 -4.928 -13.763 3.137 1.00 0.00 C ATOM 368 C GLU A 25 -5.266 -14.933 2.217 1.00 0.00 C ATOM 369 O GLU A 25 -4.949 -16.083 2.518 1.00 0.00 O ATOM 370 CB GLU A 25 -5.985 -13.641 4.239 1.00 0.00 C ATOM 371 CG GLU A 25 -5.468 -14.011 5.619 1.00 0.00 C ATOM 372 CD GLU A 25 -6.517 -13.841 6.700 1.00 0.00 C ATOM 373 OE1 GLU A 25 -7.364 -14.747 6.854 1.00 0.00 O ATOM 374 OE2 GLU A 25 -6.492 -12.802 7.394 1.00 0.00 O ATOM 0 H GLU A 25 -5.462 -11.778 2.713 1.00 0.00 H new ATOM 0 HA GLU A 25 -3.957 -13.956 3.592 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -6.358 -12.617 4.262 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -6.831 -14.283 3.993 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -5.126 -15.046 5.609 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -4.603 -13.392 5.857 1.00 0.00 H new ATOM 381 N ILE A 26 -5.912 -14.632 1.093 1.00 0.00 N ATOM 382 CA ILE A 26 -6.290 -15.660 0.130 1.00 0.00 C ATOM 383 C ILE A 26 -5.063 -16.430 -0.361 1.00 0.00 C ATOM 384 O ILE A 26 -4.094 -15.831 -0.828 1.00 0.00 O ATOM 385 CB ILE A 26 -7.024 -15.049 -1.083 1.00 0.00 C ATOM 386 CG1 ILE A 26 -8.255 -14.267 -0.620 1.00 0.00 C ATOM 387 CG2 ILE A 26 -7.423 -16.136 -2.074 1.00 0.00 C ATOM 388 CD1 ILE A 26 -8.733 -13.243 -1.626 1.00 0.00 C ATOM 0 H ILE A 26 -6.184 -13.685 0.828 1.00 0.00 H new ATOM 0 HA ILE A 26 -6.963 -16.346 0.643 1.00 0.00 H new ATOM 0 HB ILE A 26 -6.345 -14.361 -1.587 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -9.064 -14.968 -0.414 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -8.024 -13.763 0.318 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -7.939 -15.684 -2.921 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -6.530 -16.653 -2.426 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -8.086 -16.849 -1.584 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -9.608 -12.727 -1.232 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -7.939 -12.520 -1.814 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -8.996 -13.744 -2.558 1.00 0.00 H new ATOM 400 N PRO A 27 -5.087 -17.772 -0.266 1.00 0.00 N ATOM 401 CA PRO A 27 -3.971 -18.614 -0.706 1.00 0.00 C ATOM 402 C PRO A 27 -3.931 -18.778 -2.222 1.00 0.00 C ATOM 403 O PRO A 27 -3.973 -19.896 -2.737 1.00 0.00 O ATOM 404 CB PRO A 27 -4.261 -19.951 -0.028 1.00 0.00 C ATOM 405 CG PRO A 27 -5.745 -20.000 0.083 1.00 0.00 C ATOM 406 CD PRO A 27 -6.200 -18.577 0.278 1.00 0.00 C ATOM 0 HA PRO A 27 -3.003 -18.186 -0.445 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -3.879 -20.785 -0.617 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -3.788 -20.010 0.952 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -6.188 -20.431 -0.815 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -6.052 -20.625 0.921 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -7.132 -18.379 -0.251 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -6.377 -18.355 1.330 1.00 0.00 H new ATOM 414 N ASP A 28 -3.847 -17.658 -2.933 1.00 0.00 N ATOM 415 CA ASP A 28 -3.799 -17.680 -4.391 1.00 0.00 C ATOM 416 C ASP A 28 -2.520 -17.020 -4.900 1.00 0.00 C ATOM 417 O ASP A 28 -1.999 -16.097 -4.275 1.00 0.00 O ATOM 418 CB ASP A 28 -5.022 -16.969 -4.973 1.00 0.00 C ATOM 419 CG ASP A 28 -6.137 -17.933 -5.326 1.00 0.00 C ATOM 420 OD1 ASP A 28 -5.830 -19.079 -5.716 1.00 0.00 O ATOM 421 OD2 ASP A 28 -7.318 -17.541 -5.214 1.00 0.00 O ATOM 0 H ASP A 28 -3.811 -16.724 -2.524 1.00 0.00 H new ATOM 0 HA ASP A 28 -3.805 -18.720 -4.717 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -5.391 -16.239 -4.253 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -4.727 -16.416 -5.865 1.00 0.00 H new ATOM 426 N PRO A 29 -1.997 -17.485 -6.048 1.00 0.00 N ATOM 427 CA PRO A 29 -0.771 -16.933 -6.636 1.00 0.00 C ATOM 428 C PRO A 29 -0.935 -15.475 -7.054 1.00 0.00 C ATOM 429 O PRO A 29 -0.029 -14.662 -6.870 1.00 0.00 O ATOM 430 CB PRO A 29 -0.528 -17.817 -7.864 1.00 0.00 C ATOM 431 CG PRO A 29 -1.856 -18.418 -8.177 1.00 0.00 C ATOM 432 CD PRO A 29 -2.555 -18.581 -6.858 1.00 0.00 C ATOM 0 HA PRO A 29 0.055 -16.936 -5.925 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -0.152 -17.232 -8.703 1.00 0.00 H new ATOM 0 HB3 PRO A 29 0.214 -18.587 -7.655 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -2.428 -17.775 -8.845 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -1.741 -19.378 -8.680 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -3.637 -18.496 -6.962 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -2.353 -19.555 -6.412 1.00 0.00 H new ATOM 440 N ASP A 30 -2.094 -15.150 -7.616 1.00 0.00 N ATOM 441 CA ASP A 30 -2.372 -13.788 -8.059 1.00 0.00 C ATOM 442 C ASP A 30 -3.228 -13.046 -7.037 1.00 0.00 C ATOM 443 O ASP A 30 -3.988 -12.143 -7.389 1.00 0.00 O ATOM 444 CB ASP A 30 -3.078 -13.806 -9.415 1.00 0.00 C ATOM 445 CG ASP A 30 -2.180 -14.307 -10.529 1.00 0.00 C ATOM 446 OD1 ASP A 30 -1.723 -15.467 -10.447 1.00 0.00 O ATOM 447 OD2 ASP A 30 -1.931 -13.540 -11.483 1.00 0.00 O ATOM 0 H ASP A 30 -2.855 -15.810 -7.776 1.00 0.00 H new ATOM 0 HA ASP A 30 -1.421 -13.264 -8.158 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -3.962 -14.440 -9.352 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -3.423 -12.800 -9.655 1.00 0.00 H new ATOM 452 N LYS A 31 -3.100 -13.429 -5.770 1.00 0.00 N ATOM 453 CA LYS A 31 -3.863 -12.798 -4.699 1.00 0.00 C ATOM 454 C LYS A 31 -3.317 -13.200 -3.332 1.00 0.00 C ATOM 455 O LYS A 31 -4.077 -13.423 -2.390 1.00 0.00 O ATOM 456 CB LYS A 31 -5.341 -13.181 -4.804 1.00 0.00 C ATOM 457 CG LYS A 31 -6.147 -12.259 -5.704 1.00 0.00 C ATOM 458 CD LYS A 31 -7.613 -12.231 -5.304 1.00 0.00 C ATOM 459 CE LYS A 31 -8.480 -11.638 -6.402 1.00 0.00 C ATOM 460 NZ LYS A 31 -9.841 -12.244 -6.425 1.00 0.00 N ATOM 0 H LYS A 31 -2.475 -14.173 -5.460 1.00 0.00 H new ATOM 0 HA LYS A 31 -3.766 -11.718 -4.805 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -5.417 -14.201 -5.181 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -5.780 -13.176 -3.807 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -5.736 -11.251 -5.655 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -6.057 -12.590 -6.739 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -7.949 -13.243 -5.081 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -7.731 -11.647 -4.391 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -8.565 -10.561 -6.256 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -7.998 -11.792 -7.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -10.400 -11.812 -7.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -9.762 -13.268 -6.590 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -10.311 -12.076 -5.513 1.00 0.00 H new ATOM 474 N ASN A 32 -1.994 -13.291 -3.232 1.00 0.00 N ATOM 475 CA ASN A 32 -1.345 -13.667 -1.981 1.00 0.00 C ATOM 476 C ASN A 32 -0.531 -12.507 -1.419 1.00 0.00 C ATOM 477 O ASN A 32 -0.073 -11.640 -2.162 1.00 0.00 O ATOM 478 CB ASN A 32 -0.444 -14.885 -2.198 1.00 0.00 C ATOM 479 CG ASN A 32 -1.000 -16.138 -1.550 1.00 0.00 C ATOM 480 OD1 ASN A 32 -1.141 -17.176 -2.197 1.00 0.00 O ATOM 481 ND2 ASN A 32 -1.317 -16.047 -0.264 1.00 0.00 N ATOM 0 H ASN A 32 -1.351 -13.109 -4.003 1.00 0.00 H new ATOM 0 HA ASN A 32 -2.121 -13.922 -1.259 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -0.321 -15.056 -3.267 1.00 0.00 H new ATOM 0 HB3 ASN A 32 0.546 -14.678 -1.792 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -1.694 -16.858 0.227 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -1.183 -15.166 0.233 1.00 0.00 H new ATOM 488 N TRP A 33 -0.355 -12.496 -0.101 1.00 0.00 N ATOM 489 CA TRP A 33 0.404 -11.442 0.561 1.00 0.00 C ATOM 490 C TRP A 33 1.876 -11.502 0.164 1.00 0.00 C ATOM 491 O TRP A 33 2.549 -10.475 0.083 1.00 0.00 O ATOM 492 CB TRP A 33 0.269 -11.562 2.080 1.00 0.00 C ATOM 493 CG TRP A 33 0.791 -12.858 2.623 1.00 0.00 C ATOM 494 CD1 TRP A 33 0.059 -13.960 2.956 1.00 0.00 C ATOM 495 CD2 TRP A 33 2.158 -13.184 2.897 1.00 0.00 C ATOM 496 NE1 TRP A 33 0.887 -14.953 3.421 1.00 0.00 N ATOM 497 CE2 TRP A 33 2.180 -14.501 3.394 1.00 0.00 C ATOM 498 CE3 TRP A 33 3.366 -12.492 2.770 1.00 0.00 C ATOM 499 CZ2 TRP A 33 3.363 -15.138 3.764 1.00 0.00 C ATOM 500 CZ3 TRP A 33 4.538 -13.126 3.138 1.00 0.00 C ATOM 501 CH2 TRP A 33 4.529 -14.437 3.628 1.00 0.00 C ATOM 0 H TRP A 33 -0.728 -13.206 0.529 1.00 0.00 H new ATOM 0 HA TRP A 33 -0.002 -10.482 0.243 1.00 0.00 H new ATOM 0 HB2 TRP A 33 0.804 -10.737 2.551 1.00 0.00 H new ATOM 0 HB3 TRP A 33 -0.781 -11.459 2.353 1.00 0.00 H new ATOM 0 HD1 TRP A 33 -1.014 -14.040 2.867 1.00 0.00 H new ATOM 0 HE1 TRP A 33 0.588 -15.876 3.735 1.00 0.00 H new ATOM 0 HE3 TRP A 33 3.383 -11.481 2.391 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 3.359 -16.149 4.144 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 5.477 -12.601 3.046 1.00 0.00 H new ATOM 0 HH2 TRP A 33 5.462 -14.905 3.904 1.00 0.00 H new ATOM 512 N ALA A 34 2.368 -12.711 -0.083 1.00 0.00 N ATOM 513 CA ALA A 34 3.759 -12.905 -0.472 1.00 0.00 C ATOM 514 C ALA A 34 4.021 -12.344 -1.866 1.00 0.00 C ATOM 515 O ALA A 34 5.078 -11.770 -2.127 1.00 0.00 O ATOM 516 CB ALA A 34 4.121 -14.381 -0.417 1.00 0.00 C ATOM 0 H ALA A 34 1.824 -13.571 -0.021 1.00 0.00 H new ATOM 0 HA ALA A 34 4.388 -12.362 0.234 1.00 0.00 H new ATOM 0 HB1 ALA A 34 5.163 -14.511 -0.710 1.00 0.00 H new ATOM 0 HB2 ALA A 34 3.980 -14.753 0.598 1.00 0.00 H new ATOM 0 HB3 ALA A 34 3.480 -14.939 -1.100 1.00 0.00 H new ATOM 522 N THR A 35 3.050 -12.515 -2.757 1.00 0.00 N ATOM 523 CA THR A 35 3.175 -12.025 -4.126 1.00 0.00 C ATOM 524 C THR A 35 3.152 -10.501 -4.163 1.00 0.00 C ATOM 525 O THR A 35 3.829 -9.879 -4.981 1.00 0.00 O ATOM 526 CB THR A 35 2.047 -12.585 -4.994 1.00 0.00 C ATOM 527 OG1 THR A 35 1.753 -13.923 -4.633 1.00 0.00 O ATOM 528 CG2 THR A 35 2.368 -12.570 -6.473 1.00 0.00 C ATOM 0 H THR A 35 2.169 -12.988 -2.557 1.00 0.00 H new ATOM 0 HA THR A 35 4.132 -12.365 -4.521 1.00 0.00 H new ATOM 0 HB THR A 35 1.193 -11.931 -4.816 1.00 0.00 H new ATOM 0 HG1 THR A 35 1.151 -14.317 -5.299 1.00 0.00 H new ATOM 0 HG21 THR A 35 1.527 -12.980 -7.032 1.00 0.00 H new ATOM 0 HG22 THR A 35 2.552 -11.545 -6.795 1.00 0.00 H new ATOM 0 HG23 THR A 35 3.256 -13.174 -6.659 1.00 0.00 H new ATOM 536 N LEU A 36 2.367 -9.905 -3.270 1.00 0.00 N ATOM 537 CA LEU A 36 2.255 -8.453 -3.200 1.00 0.00 C ATOM 538 C LEU A 36 3.563 -7.828 -2.724 1.00 0.00 C ATOM 539 O LEU A 36 3.923 -6.727 -3.138 1.00 0.00 O ATOM 540 CB LEU A 36 1.114 -8.053 -2.263 1.00 0.00 C ATOM 541 CG LEU A 36 0.716 -6.577 -2.319 1.00 0.00 C ATOM 542 CD1 LEU A 36 0.150 -6.229 -3.687 1.00 0.00 C ATOM 543 CD2 LEU A 36 -0.291 -6.255 -1.225 1.00 0.00 C ATOM 0 H LEU A 36 1.800 -10.405 -2.586 1.00 0.00 H new ATOM 0 HA LEU A 36 2.040 -8.082 -4.202 1.00 0.00 H new ATOM 0 HB2 LEU A 36 0.240 -8.658 -2.501 1.00 0.00 H new ATOM 0 HB3 LEU A 36 1.402 -8.297 -1.240 1.00 0.00 H new ATOM 0 HG LEU A 36 1.608 -5.973 -2.153 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -0.128 -5.175 -3.709 1.00 0.00 H new ATOM 0 HD12 LEU A 36 0.902 -6.422 -4.452 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -0.731 -6.840 -3.883 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -0.563 -5.201 -1.280 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -1.183 -6.867 -1.360 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.150 -6.466 -0.251 1.00 0.00 H new ATOM 555 N ALA A 37 4.269 -8.540 -1.851 1.00 0.00 N ATOM 556 CA ALA A 37 5.536 -8.055 -1.319 1.00 0.00 C ATOM 557 C ALA A 37 6.549 -7.828 -2.436 1.00 0.00 C ATOM 558 O ALA A 37 7.258 -6.822 -2.449 1.00 0.00 O ATOM 559 CB ALA A 37 6.088 -9.035 -0.295 1.00 0.00 C ATOM 0 H ALA A 37 3.985 -9.454 -1.498 1.00 0.00 H new ATOM 0 HA ALA A 37 5.354 -7.099 -0.829 1.00 0.00 H new ATOM 0 HB1 ALA A 37 7.035 -8.660 0.094 1.00 0.00 H new ATOM 0 HB2 ALA A 37 5.377 -9.145 0.524 1.00 0.00 H new ATOM 0 HB3 ALA A 37 6.248 -10.004 -0.768 1.00 0.00 H new ATOM 565 N GLN A 38 6.612 -8.770 -3.372 1.00 0.00 N ATOM 566 CA GLN A 38 7.538 -8.672 -4.494 1.00 0.00 C ATOM 567 C GLN A 38 7.145 -7.531 -5.426 1.00 0.00 C ATOM 568 O GLN A 38 8.001 -6.903 -6.049 1.00 0.00 O ATOM 569 CB GLN A 38 7.574 -9.992 -5.268 1.00 0.00 C ATOM 570 CG GLN A 38 7.836 -11.204 -4.391 1.00 0.00 C ATOM 571 CD GLN A 38 7.440 -12.506 -5.059 1.00 0.00 C ATOM 572 OE1 GLN A 38 6.254 -12.805 -5.207 1.00 0.00 O ATOM 573 NE2 GLN A 38 8.432 -13.287 -5.469 1.00 0.00 N ATOM 0 H GLN A 38 6.033 -9.610 -3.375 1.00 0.00 H new ATOM 0 HA GLN A 38 8.532 -8.465 -4.097 1.00 0.00 H new ATOM 0 HB2 GLN A 38 6.624 -10.127 -5.785 1.00 0.00 H new ATOM 0 HB3 GLN A 38 8.348 -9.934 -6.033 1.00 0.00 H new ATOM 0 HG2 GLN A 38 8.895 -11.239 -4.134 1.00 0.00 H new ATOM 0 HG3 GLN A 38 7.285 -11.097 -3.457 1.00 0.00 H new ATOM 0 HE21 GLN A 38 9.400 -12.999 -5.326 1.00 0.00 H new ATOM 0 HE22 GLN A 38 8.226 -14.175 -5.927 1.00 0.00 H new ATOM 582 N LYS A 39 5.845 -7.271 -5.518 1.00 0.00 N ATOM 583 CA LYS A 39 5.338 -6.204 -6.374 1.00 0.00 C ATOM 584 C LYS A 39 5.535 -4.841 -5.720 1.00 0.00 C ATOM 585 O LYS A 39 5.868 -3.863 -6.388 1.00 0.00 O ATOM 586 CB LYS A 39 3.856 -6.429 -6.681 1.00 0.00 C ATOM 587 CG LYS A 39 3.610 -7.179 -7.979 1.00 0.00 C ATOM 588 CD LYS A 39 3.656 -8.684 -7.770 1.00 0.00 C ATOM 589 CE LYS A 39 3.550 -9.433 -9.089 1.00 0.00 C ATOM 590 NZ LYS A 39 3.441 -10.904 -8.886 1.00 0.00 N ATOM 0 H LYS A 39 5.124 -7.784 -5.011 1.00 0.00 H new ATOM 0 HA LYS A 39 5.901 -6.222 -7.307 1.00 0.00 H new ATOM 0 HB2 LYS A 39 3.404 -6.984 -5.859 1.00 0.00 H new ATOM 0 HB3 LYS A 39 3.353 -5.463 -6.728 1.00 0.00 H new ATOM 0 HG2 LYS A 39 2.639 -6.897 -8.385 1.00 0.00 H new ATOM 0 HG3 LYS A 39 4.360 -6.890 -8.715 1.00 0.00 H new ATOM 0 HD2 LYS A 39 4.586 -8.955 -7.270 1.00 0.00 H new ATOM 0 HD3 LYS A 39 2.841 -8.986 -7.112 1.00 0.00 H new ATOM 0 HE2 LYS A 39 2.679 -9.077 -9.639 1.00 0.00 H new ATOM 0 HE3 LYS A 39 4.425 -9.215 -9.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 3.850 -11.399 -9.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 3.957 -11.175 -8.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 2.440 -11.168 -8.787 1.00 0.00 H new ATOM 604 N LEU A 40 5.326 -4.784 -4.408 1.00 0.00 N ATOM 605 CA LEU A 40 5.480 -3.541 -3.662 1.00 0.00 C ATOM 606 C LEU A 40 6.955 -3.203 -3.465 1.00 0.00 C ATOM 607 O LEU A 40 7.404 -2.112 -3.816 1.00 0.00 O ATOM 608 CB LEU A 40 4.783 -3.646 -2.305 1.00 0.00 C ATOM 609 CG LEU A 40 3.256 -3.727 -2.366 1.00 0.00 C ATOM 610 CD1 LEU A 40 2.672 -3.835 -0.966 1.00 0.00 C ATOM 611 CD2 LEU A 40 2.688 -2.515 -3.090 1.00 0.00 C ATOM 0 H LEU A 40 5.049 -5.585 -3.840 1.00 0.00 H new ATOM 0 HA LEU A 40 5.017 -2.741 -4.239 1.00 0.00 H new ATOM 0 HB2 LEU A 40 5.158 -4.529 -1.788 1.00 0.00 H new ATOM 0 HB3 LEU A 40 5.062 -2.782 -1.702 1.00 0.00 H new ATOM 0 HG LEU A 40 2.979 -4.622 -2.923 1.00 0.00 H new ATOM 0 HD11 LEU A 40 1.585 -3.892 -1.028 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.055 -4.733 -0.480 1.00 0.00 H new ATOM 0 HD13 LEU A 40 2.957 -2.958 -0.384 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.601 -2.588 -3.125 1.00 0.00 H new ATOM 0 HD22 LEU A 40 2.974 -1.607 -2.559 1.00 0.00 H new ATOM 0 HD23 LEU A 40 3.082 -2.480 -4.106 1.00 0.00 H new ATOM 623 N GLY A 41 7.702 -4.147 -2.902 1.00 0.00 N ATOM 624 CA GLY A 41 9.118 -3.930 -2.668 1.00 0.00 C ATOM 625 C GLY A 41 9.570 -4.455 -1.320 1.00 0.00 C ATOM 626 O GLY A 41 10.310 -3.783 -0.602 1.00 0.00 O ATOM 0 H GLY A 41 7.353 -5.058 -2.604 1.00 0.00 H new ATOM 0 HA2 GLY A 41 9.692 -4.418 -3.456 1.00 0.00 H new ATOM 0 HA3 GLY A 41 9.334 -2.863 -2.730 1.00 0.00 H new ATOM 630 N LEU A 42 9.124 -5.659 -0.976 1.00 0.00 N ATOM 631 CA LEU A 42 9.488 -6.274 0.296 1.00 0.00 C ATOM 632 C LEU A 42 9.579 -7.790 0.160 1.00 0.00 C ATOM 633 O LEU A 42 9.315 -8.525 1.111 1.00 0.00 O ATOM 634 CB LEU A 42 8.467 -5.908 1.374 1.00 0.00 C ATOM 635 CG LEU A 42 8.163 -4.414 1.499 1.00 0.00 C ATOM 636 CD1 LEU A 42 6.948 -4.188 2.387 1.00 0.00 C ATOM 637 CD2 LEU A 42 9.372 -3.670 2.047 1.00 0.00 C ATOM 0 H LEU A 42 8.511 -6.228 -1.560 1.00 0.00 H new ATOM 0 HA LEU A 42 10.467 -5.893 0.588 1.00 0.00 H new ATOM 0 HB2 LEU A 42 7.537 -6.436 1.166 1.00 0.00 H new ATOM 0 HB3 LEU A 42 8.831 -6.271 2.335 1.00 0.00 H new ATOM 0 HG LEU A 42 7.939 -4.023 0.506 1.00 0.00 H new ATOM 0 HD11 LEU A 42 6.747 -3.119 2.464 1.00 0.00 H new ATOM 0 HD12 LEU A 42 6.083 -4.689 1.954 1.00 0.00 H new ATOM 0 HD13 LEU A 42 7.143 -4.593 3.380 1.00 0.00 H new ATOM 0 HD21 LEU A 42 9.139 -2.608 2.130 1.00 0.00 H new ATOM 0 HD22 LEU A 42 9.626 -4.064 3.031 1.00 0.00 H new ATOM 0 HD23 LEU A 42 10.218 -3.804 1.373 1.00 0.00 H new ATOM 649 N GLY A 43 9.955 -8.252 -1.028 1.00 0.00 N ATOM 650 CA GLY A 43 10.076 -9.678 -1.265 1.00 0.00 C ATOM 651 C GLY A 43 11.256 -10.289 -0.537 1.00 0.00 C ATOM 652 O GLY A 43 11.224 -11.462 -0.164 1.00 0.00 O ATOM 0 H GLY A 43 10.178 -7.664 -1.831 1.00 0.00 H new ATOM 0 HA2 GLY A 43 9.160 -10.175 -0.946 1.00 0.00 H new ATOM 0 HA3 GLY A 43 10.181 -9.858 -2.335 1.00 0.00 H new ATOM 656 N ILE A 44 12.301 -9.493 -0.336 1.00 0.00 N ATOM 657 CA ILE A 44 13.498 -9.961 0.352 1.00 0.00 C ATOM 658 C ILE A 44 13.201 -10.278 1.815 1.00 0.00 C ATOM 659 O ILE A 44 13.814 -11.167 2.406 1.00 0.00 O ATOM 660 CB ILE A 44 14.632 -8.918 0.277 1.00 0.00 C ATOM 661 CG1 ILE A 44 15.921 -9.483 0.879 1.00 0.00 C ATOM 662 CG2 ILE A 44 14.225 -7.633 0.986 1.00 0.00 C ATOM 663 CD1 ILE A 44 16.903 -9.982 -0.158 1.00 0.00 C ATOM 0 H ILE A 44 12.343 -8.520 -0.640 1.00 0.00 H new ATOM 0 HA ILE A 44 13.821 -10.871 -0.153 1.00 0.00 H new ATOM 0 HB ILE A 44 14.817 -8.685 -0.772 1.00 0.00 H new ATOM 0 HG12 ILE A 44 16.401 -8.711 1.480 1.00 0.00 H new ATOM 0 HG13 ILE A 44 15.669 -10.302 1.553 1.00 0.00 H new ATOM 0 HG21 ILE A 44 15.038 -6.909 0.923 1.00 0.00 H new ATOM 0 HG22 ILE A 44 13.335 -7.221 0.511 1.00 0.00 H new ATOM 0 HG23 ILE A 44 14.011 -7.847 2.033 1.00 0.00 H new ATOM 0 HD11 ILE A 44 17.793 -10.368 0.339 1.00 0.00 H new ATOM 0 HD12 ILE A 44 16.441 -10.777 -0.744 1.00 0.00 H new ATOM 0 HD13 ILE A 44 17.184 -9.161 -0.818 1.00 0.00 H new ATOM 675 N LEU A 45 12.255 -9.545 2.394 1.00 0.00 N ATOM 676 CA LEU A 45 11.875 -9.749 3.787 1.00 0.00 C ATOM 677 C LEU A 45 10.598 -10.575 3.888 1.00 0.00 C ATOM 678 O LEU A 45 9.814 -10.414 4.824 1.00 0.00 O ATOM 679 CB LEU A 45 11.683 -8.403 4.486 1.00 0.00 C ATOM 680 CG LEU A 45 12.864 -7.439 4.372 1.00 0.00 C ATOM 681 CD1 LEU A 45 12.413 -6.009 4.633 1.00 0.00 C ATOM 682 CD2 LEU A 45 13.970 -7.836 5.338 1.00 0.00 C ATOM 0 H LEU A 45 11.738 -8.805 1.920 1.00 0.00 H new ATOM 0 HA LEU A 45 12.678 -10.296 4.281 1.00 0.00 H new ATOM 0 HB2 LEU A 45 10.798 -7.919 4.073 1.00 0.00 H new ATOM 0 HB3 LEU A 45 11.483 -8.585 5.542 1.00 0.00 H new ATOM 0 HG LEU A 45 13.258 -7.494 3.357 1.00 0.00 H new ATOM 0 HD11 LEU A 45 13.267 -5.337 4.548 1.00 0.00 H new ATOM 0 HD12 LEU A 45 11.655 -5.727 3.902 1.00 0.00 H new ATOM 0 HD13 LEU A 45 11.994 -5.937 5.637 1.00 0.00 H new ATOM 0 HD21 LEU A 45 14.803 -7.139 5.244 1.00 0.00 H new ATOM 0 HD22 LEU A 45 13.588 -7.809 6.359 1.00 0.00 H new ATOM 0 HD23 LEU A 45 14.312 -8.844 5.105 1.00 0.00 H new ATOM 694 N ASN A 46 10.393 -11.461 2.918 1.00 0.00 N ATOM 695 CA ASN A 46 9.210 -12.313 2.897 1.00 0.00 C ATOM 696 C ASN A 46 9.249 -13.322 4.040 1.00 0.00 C ATOM 697 O ASN A 46 8.209 -13.716 4.569 1.00 0.00 O ATOM 698 CB ASN A 46 9.107 -13.042 1.555 1.00 0.00 C ATOM 699 CG ASN A 46 8.062 -12.428 0.644 1.00 0.00 C ATOM 700 OD1 ASN A 46 7.901 -11.209 0.598 1.00 0.00 O ATOM 701 ND2 ASN A 46 7.346 -13.274 -0.089 1.00 0.00 N ATOM 0 H ASN A 46 11.031 -11.607 2.136 1.00 0.00 H new ATOM 0 HA ASN A 46 8.331 -11.681 3.026 1.00 0.00 H new ATOM 0 HB2 ASN A 46 10.077 -13.021 1.058 1.00 0.00 H new ATOM 0 HB3 ASN A 46 8.862 -14.089 1.731 1.00 0.00 H new ATOM 0 HD21 ASN A 46 6.629 -12.920 -0.722 1.00 0.00 H new ATOM 0 HD22 ASN A 46 7.514 -14.278 -0.019 1.00 0.00 H new ATOM 708 N ASN A 47 10.454 -13.738 4.417 1.00 0.00 N ATOM 709 CA ASN A 47 10.627 -14.701 5.497 1.00 0.00 C ATOM 710 C ASN A 47 10.300 -14.070 6.847 1.00 0.00 C ATOM 711 O ASN A 47 9.752 -14.726 7.733 1.00 0.00 O ATOM 712 CB ASN A 47 12.060 -15.235 5.507 1.00 0.00 C ATOM 713 CG ASN A 47 12.160 -16.613 6.131 1.00 0.00 C ATOM 714 OD1 ASN A 47 12.517 -16.754 7.301 1.00 0.00 O ATOM 715 ND2 ASN A 47 11.844 -17.641 5.351 1.00 0.00 N ATOM 0 H ASN A 47 11.325 -13.423 3.990 1.00 0.00 H new ATOM 0 HA ASN A 47 9.938 -15.528 5.326 1.00 0.00 H new ATOM 0 HB2 ASN A 47 12.437 -15.274 4.485 1.00 0.00 H new ATOM 0 HB3 ASN A 47 12.699 -14.543 6.056 1.00 0.00 H new ATOM 0 HD21 ASN A 47 11.892 -18.592 5.716 1.00 0.00 H new ATOM 0 HD22 ASN A 47 11.553 -17.479 4.387 1.00 0.00 H new ATOM 722 N ALA A 48 10.637 -12.793 6.995 1.00 0.00 N ATOM 723 CA ALA A 48 10.379 -12.073 8.235 1.00 0.00 C ATOM 724 C ALA A 48 8.885 -12.007 8.530 1.00 0.00 C ATOM 725 O ALA A 48 8.460 -12.151 9.676 1.00 0.00 O ATOM 726 CB ALA A 48 10.968 -10.673 8.165 1.00 0.00 C ATOM 0 H ALA A 48 11.090 -12.236 6.270 1.00 0.00 H new ATOM 0 HA ALA A 48 10.860 -12.616 9.049 1.00 0.00 H new ATOM 0 HB1 ALA A 48 10.768 -10.147 9.098 1.00 0.00 H new ATOM 0 HB2 ALA A 48 12.045 -10.739 8.010 1.00 0.00 H new ATOM 0 HB3 ALA A 48 10.514 -10.128 7.337 1.00 0.00 H new ATOM 732 N PHE A 49 8.090 -11.788 7.486 1.00 0.00 N ATOM 733 CA PHE A 49 6.642 -11.702 7.633 1.00 0.00 C ATOM 734 C PHE A 49 6.027 -13.091 7.771 1.00 0.00 C ATOM 735 O PHE A 49 5.063 -13.281 8.513 1.00 0.00 O ATOM 736 CB PHE A 49 6.030 -10.976 6.434 1.00 0.00 C ATOM 737 CG PHE A 49 6.756 -9.715 6.060 1.00 0.00 C ATOM 738 CD1 PHE A 49 7.019 -8.745 7.013 1.00 0.00 C ATOM 739 CD2 PHE A 49 7.175 -9.502 4.756 1.00 0.00 C ATOM 740 CE1 PHE A 49 7.687 -7.584 6.672 1.00 0.00 C ATOM 741 CE2 PHE A 49 7.844 -8.343 4.411 1.00 0.00 C ATOM 742 CZ PHE A 49 8.100 -7.383 5.369 1.00 0.00 C ATOM 0 H PHE A 49 8.425 -11.667 6.530 1.00 0.00 H new ATOM 0 HA PHE A 49 6.425 -11.137 8.540 1.00 0.00 H new ATOM 0 HB2 PHE A 49 6.023 -11.649 5.577 1.00 0.00 H new ATOM 0 HB3 PHE A 49 4.991 -10.734 6.658 1.00 0.00 H new ATOM 0 HD1 PHE A 49 6.699 -8.897 8.033 1.00 0.00 H new ATOM 0 HD2 PHE A 49 6.977 -10.249 4.002 1.00 0.00 H new ATOM 0 HE1 PHE A 49 7.886 -6.834 7.424 1.00 0.00 H new ATOM 0 HE2 PHE A 49 8.166 -8.188 3.392 1.00 0.00 H new ATOM 0 HZ PHE A 49 8.622 -6.476 5.101 1.00 0.00 H new ATOM 752 N ARG A 50 6.590 -14.057 7.053 1.00 0.00 N ATOM 753 CA ARG A 50 6.096 -15.429 7.096 1.00 0.00 C ATOM 754 C ARG A 50 6.136 -15.979 8.518 1.00 0.00 C ATOM 755 O ARG A 50 5.211 -16.661 8.957 1.00 0.00 O ATOM 756 CB ARG A 50 6.925 -16.320 6.169 1.00 0.00 C ATOM 757 CG ARG A 50 6.122 -17.432 5.515 1.00 0.00 C ATOM 758 CD ARG A 50 6.816 -17.963 4.271 1.00 0.00 C ATOM 759 NE ARG A 50 6.083 -19.073 3.666 1.00 0.00 N ATOM 760 CZ ARG A 50 6.121 -20.323 4.121 1.00 0.00 C ATOM 761 NH1 ARG A 50 6.855 -20.627 5.184 1.00 0.00 N ATOM 762 NH2 ARG A 50 5.424 -21.272 3.511 1.00 0.00 N ATOM 0 H ARG A 50 7.389 -13.916 6.434 1.00 0.00 H new ATOM 0 HA ARG A 50 5.060 -15.426 6.757 1.00 0.00 H new ATOM 0 HB2 ARG A 50 7.374 -15.702 5.391 1.00 0.00 H new ATOM 0 HB3 ARG A 50 7.743 -16.761 6.739 1.00 0.00 H new ATOM 0 HG2 ARG A 50 5.977 -18.245 6.227 1.00 0.00 H new ATOM 0 HG3 ARG A 50 5.132 -17.060 5.250 1.00 0.00 H new ATOM 0 HD2 ARG A 50 6.921 -17.158 3.543 1.00 0.00 H new ATOM 0 HD3 ARG A 50 7.822 -18.292 4.530 1.00 0.00 H new ATOM 0 HE ARG A 50 5.508 -18.878 2.846 1.00 0.00 H new ATOM 0 HH11 ARG A 50 7.394 -19.901 5.656 1.00 0.00 H new ATOM 0 HH12 ARG A 50 6.881 -21.587 5.529 1.00 0.00 H new ATOM 0 HH21 ARG A 50 4.859 -21.044 2.693 1.00 0.00 H new ATOM 0 HH22 ARG A 50 5.453 -22.230 3.860 1.00 0.00 H new ATOM 776 N LEU A 51 7.215 -15.677 9.234 1.00 0.00 N ATOM 777 CA LEU A 51 7.377 -16.140 10.607 1.00 0.00 C ATOM 778 C LEU A 51 6.320 -15.521 11.518 1.00 0.00 C ATOM 779 O LEU A 51 5.902 -16.130 12.503 1.00 0.00 O ATOM 780 CB LEU A 51 8.775 -15.797 11.121 1.00 0.00 C ATOM 781 CG LEU A 51 9.919 -16.549 10.438 1.00 0.00 C ATOM 782 CD1 LEU A 51 11.185 -15.705 10.433 1.00 0.00 C ATOM 783 CD2 LEU A 51 10.168 -17.881 11.130 1.00 0.00 C ATOM 0 H LEU A 51 7.990 -15.113 8.885 1.00 0.00 H new ATOM 0 HA LEU A 51 7.250 -17.223 10.617 1.00 0.00 H new ATOM 0 HB2 LEU A 51 8.939 -14.727 10.996 1.00 0.00 H new ATOM 0 HB3 LEU A 51 8.813 -16.003 12.191 1.00 0.00 H new ATOM 0 HG LEU A 51 9.634 -16.746 9.405 1.00 0.00 H new ATOM 0 HD11 LEU A 51 11.988 -16.256 9.943 1.00 0.00 H new ATOM 0 HD12 LEU A 51 11.001 -14.776 9.893 1.00 0.00 H new ATOM 0 HD13 LEU A 51 11.475 -15.477 11.459 1.00 0.00 H new ATOM 0 HD21 LEU A 51 10.985 -18.403 10.631 1.00 0.00 H new ATOM 0 HD22 LEU A 51 10.432 -17.705 12.173 1.00 0.00 H new ATOM 0 HD23 LEU A 51 9.265 -18.490 11.082 1.00 0.00 H new ATOM 795 N SER A 52 5.895 -14.308 11.182 1.00 0.00 N ATOM 796 CA SER A 52 4.888 -13.606 11.970 1.00 0.00 C ATOM 797 C SER A 52 3.504 -14.214 11.754 1.00 0.00 C ATOM 798 O SER A 52 3.254 -14.862 10.737 1.00 0.00 O ATOM 799 CB SER A 52 4.867 -12.121 11.603 1.00 0.00 C ATOM 800 OG SER A 52 6.167 -11.561 11.670 1.00 0.00 O ATOM 0 H SER A 52 6.232 -13.791 10.370 1.00 0.00 H new ATOM 0 HA SER A 52 5.150 -13.710 13.023 1.00 0.00 H new ATOM 0 HB2 SER A 52 4.466 -11.997 10.597 1.00 0.00 H new ATOM 0 HB3 SER A 52 4.201 -11.585 12.280 1.00 0.00 H new ATOM 0 HG SER A 52 6.709 -11.904 10.929 1.00 0.00 H new ATOM 806 N PRO A 53 2.584 -14.014 12.713 1.00 0.00 N ATOM 807 CA PRO A 53 1.220 -14.546 12.623 1.00 0.00 C ATOM 808 C PRO A 53 0.532 -14.159 11.318 1.00 0.00 C ATOM 809 O PRO A 53 0.151 -15.020 10.526 1.00 0.00 O ATOM 810 CB PRO A 53 0.506 -13.903 13.814 1.00 0.00 C ATOM 811 CG PRO A 53 1.592 -13.591 14.784 1.00 0.00 C ATOM 812 CD PRO A 53 2.801 -13.253 13.957 1.00 0.00 C ATOM 0 HA PRO A 53 1.207 -15.636 12.640 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -0.029 -13.001 13.515 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -0.229 -14.581 14.248 1.00 0.00 H new ATOM 0 HG2 PRO A 53 1.313 -12.756 15.427 1.00 0.00 H new ATOM 0 HG3 PRO A 53 1.790 -14.442 15.435 1.00 0.00 H new ATOM 0 HD2 PRO A 53 2.872 -12.182 13.766 1.00 0.00 H new ATOM 0 HD3 PRO A 53 3.724 -13.550 14.454 1.00 0.00 H new ATOM 820 N ALA A 54 0.376 -12.856 11.101 1.00 0.00 N ATOM 821 CA ALA A 54 -0.267 -12.354 9.893 1.00 0.00 C ATOM 822 C ALA A 54 0.725 -11.587 9.021 1.00 0.00 C ATOM 823 O ALA A 54 0.875 -10.373 9.160 1.00 0.00 O ATOM 824 CB ALA A 54 -1.450 -11.468 10.254 1.00 0.00 C ATOM 0 H ALA A 54 0.686 -12.130 11.746 1.00 0.00 H new ATOM 0 HA ALA A 54 -0.629 -13.209 9.321 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -1.921 -11.100 9.342 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -2.174 -12.045 10.829 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -1.104 -10.623 10.850 1.00 0.00 H new ATOM 830 N PRO A 55 1.417 -12.288 8.107 1.00 0.00 N ATOM 831 CA PRO A 55 2.396 -11.664 7.212 1.00 0.00 C ATOM 832 C PRO A 55 1.818 -10.470 6.462 1.00 0.00 C ATOM 833 O PRO A 55 2.533 -9.525 6.131 1.00 0.00 O ATOM 834 CB PRO A 55 2.753 -12.786 6.234 1.00 0.00 C ATOM 835 CG PRO A 55 2.467 -14.044 6.978 1.00 0.00 C ATOM 836 CD PRO A 55 1.299 -13.740 7.874 1.00 0.00 C ATOM 0 HA PRO A 55 3.252 -11.269 7.759 1.00 0.00 H new ATOM 0 HB2 PRO A 55 2.158 -12.721 5.323 1.00 0.00 H new ATOM 0 HB3 PRO A 55 3.800 -12.732 5.935 1.00 0.00 H new ATOM 0 HG2 PRO A 55 2.231 -14.858 6.292 1.00 0.00 H new ATOM 0 HG3 PRO A 55 3.333 -14.359 7.560 1.00 0.00 H new ATOM 0 HD2 PRO A 55 0.351 -13.995 7.400 1.00 0.00 H new ATOM 0 HD3 PRO A 55 1.351 -14.302 8.806 1.00 0.00 H new ATOM 844 N SER A 56 0.516 -10.520 6.196 1.00 0.00 N ATOM 845 CA SER A 56 -0.161 -9.443 5.483 1.00 0.00 C ATOM 846 C SER A 56 -0.221 -8.179 6.336 1.00 0.00 C ATOM 847 O SER A 56 -0.107 -7.066 5.822 1.00 0.00 O ATOM 848 CB SER A 56 -1.576 -9.874 5.091 1.00 0.00 C ATOM 849 OG SER A 56 -2.086 -10.836 5.997 1.00 0.00 O ATOM 0 H SER A 56 -0.091 -11.295 6.464 1.00 0.00 H new ATOM 0 HA SER A 56 0.409 -9.224 4.580 1.00 0.00 H new ATOM 0 HB2 SER A 56 -2.232 -9.004 5.072 1.00 0.00 H new ATOM 0 HB3 SER A 56 -1.567 -10.288 4.083 1.00 0.00 H new ATOM 0 HG SER A 56 -2.992 -11.093 5.725 1.00 0.00 H new ATOM 855 N LYS A 57 -0.402 -8.358 7.640 1.00 0.00 N ATOM 856 CA LYS A 57 -0.478 -7.231 8.563 1.00 0.00 C ATOM 857 C LYS A 57 0.895 -6.599 8.765 1.00 0.00 C ATOM 858 O LYS A 57 1.022 -5.377 8.836 1.00 0.00 O ATOM 859 CB LYS A 57 -1.046 -7.685 9.908 1.00 0.00 C ATOM 860 CG LYS A 57 -1.898 -6.631 10.596 1.00 0.00 C ATOM 861 CD LYS A 57 -2.716 -7.227 11.732 1.00 0.00 C ATOM 862 CE LYS A 57 -4.190 -7.317 11.370 1.00 0.00 C ATOM 863 NZ LYS A 57 -4.429 -8.254 10.237 1.00 0.00 N ATOM 0 H LYS A 57 -0.499 -9.272 8.082 1.00 0.00 H new ATOM 0 HA LYS A 57 -1.142 -6.483 8.130 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -1.646 -8.582 9.755 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -0.222 -7.961 10.566 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -1.256 -5.840 10.985 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -2.566 -6.170 9.868 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -2.338 -8.221 11.972 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -2.597 -6.616 12.627 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -4.758 -7.647 12.240 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -4.560 -6.326 11.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -5.351 -8.719 10.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -4.424 -7.725 9.342 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -3.678 -8.974 10.217 1.00 0.00 H new ATOM 877 N THR A 58 1.921 -7.440 8.856 1.00 0.00 N ATOM 878 CA THR A 58 3.285 -6.964 9.050 1.00 0.00 C ATOM 879 C THR A 58 3.787 -6.228 7.811 1.00 0.00 C ATOM 880 O THR A 58 4.591 -5.301 7.911 1.00 0.00 O ATOM 881 CB THR A 58 4.214 -8.134 9.374 1.00 0.00 C ATOM 882 OG1 THR A 58 3.506 -9.168 10.035 1.00 0.00 O ATOM 883 CG2 THR A 58 5.383 -7.745 10.253 1.00 0.00 C ATOM 0 H THR A 58 1.833 -8.455 8.798 1.00 0.00 H new ATOM 0 HA THR A 58 3.284 -6.267 9.888 1.00 0.00 H new ATOM 0 HB THR A 58 4.600 -8.471 8.412 1.00 0.00 H new ATOM 0 HG1 THR A 58 4.139 -9.747 10.509 1.00 0.00 H new ATOM 0 HG21 THR A 58 6.002 -8.622 10.444 1.00 0.00 H new ATOM 0 HG22 THR A 58 5.979 -6.983 9.750 1.00 0.00 H new ATOM 0 HG23 THR A 58 5.012 -7.350 11.199 1.00 0.00 H new ATOM 891 N LEU A 59 3.308 -6.648 6.645 1.00 0.00 N ATOM 892 CA LEU A 59 3.709 -6.030 5.387 1.00 0.00 C ATOM 893 C LEU A 59 3.312 -4.557 5.352 1.00 0.00 C ATOM 894 O LEU A 59 4.123 -3.693 5.019 1.00 0.00 O ATOM 895 CB LEU A 59 3.074 -6.768 4.207 1.00 0.00 C ATOM 896 CG LEU A 59 3.763 -6.550 2.860 1.00 0.00 C ATOM 897 CD1 LEU A 59 5.112 -7.252 2.830 1.00 0.00 C ATOM 898 CD2 LEU A 59 2.880 -7.043 1.724 1.00 0.00 C ATOM 0 H LEU A 59 2.642 -7.414 6.545 1.00 0.00 H new ATOM 0 HA LEU A 59 4.794 -6.097 5.309 1.00 0.00 H new ATOM 0 HB2 LEU A 59 3.069 -7.836 4.426 1.00 0.00 H new ATOM 0 HB3 LEU A 59 2.033 -6.455 4.120 1.00 0.00 H new ATOM 0 HG LEU A 59 3.929 -5.481 2.728 1.00 0.00 H new ATOM 0 HD11 LEU A 59 5.587 -7.085 1.863 1.00 0.00 H new ATOM 0 HD12 LEU A 59 5.748 -6.853 3.620 1.00 0.00 H new ATOM 0 HD13 LEU A 59 4.969 -8.321 2.985 1.00 0.00 H new ATOM 0 HD21 LEU A 59 3.386 -6.880 0.773 1.00 0.00 H new ATOM 0 HD22 LEU A 59 2.683 -8.107 1.852 1.00 0.00 H new ATOM 0 HD23 LEU A 59 1.937 -6.496 1.732 1.00 0.00 H new ATOM 910 N MET A 60 2.059 -4.279 5.697 1.00 0.00 N ATOM 911 CA MET A 60 1.554 -2.911 5.705 1.00 0.00 C ATOM 912 C MET A 60 2.295 -2.062 6.733 1.00 0.00 C ATOM 913 O MET A 60 2.469 -0.857 6.549 1.00 0.00 O ATOM 914 CB MET A 60 0.054 -2.901 6.004 1.00 0.00 C ATOM 915 CG MET A 60 -0.809 -3.240 4.800 1.00 0.00 C ATOM 916 SD MET A 60 -0.605 -2.067 3.446 1.00 0.00 S ATOM 917 CE MET A 60 -0.682 -3.164 2.033 1.00 0.00 C ATOM 0 H MET A 60 1.375 -4.983 5.975 1.00 0.00 H new ATOM 0 HA MET A 60 1.724 -2.482 4.717 1.00 0.00 H new ATOM 0 HB2 MET A 60 -0.154 -3.614 6.802 1.00 0.00 H new ATOM 0 HB3 MET A 60 -0.227 -1.916 6.376 1.00 0.00 H new ATOM 0 HG2 MET A 60 -0.559 -4.241 4.449 1.00 0.00 H new ATOM 0 HG3 MET A 60 -1.856 -3.261 5.103 1.00 0.00 H new ATOM 0 HE1 MET A 60 0.201 -3.018 1.411 1.00 0.00 H new ATOM 0 HE2 MET A 60 -0.718 -4.198 2.377 1.00 0.00 H new ATOM 0 HE3 MET A 60 -1.577 -2.944 1.450 1.00 0.00 H new ATOM 927 N ASP A 61 2.730 -2.698 7.816 1.00 0.00 N ATOM 928 CA ASP A 61 3.453 -2.000 8.873 1.00 0.00 C ATOM 929 C ASP A 61 4.875 -1.667 8.433 1.00 0.00 C ATOM 930 O ASP A 61 5.426 -0.634 8.811 1.00 0.00 O ATOM 931 CB ASP A 61 3.483 -2.850 10.145 1.00 0.00 C ATOM 932 CG ASP A 61 2.407 -2.448 11.134 1.00 0.00 C ATOM 933 OD1 ASP A 61 2.302 -1.241 11.440 1.00 0.00 O ATOM 934 OD2 ASP A 61 1.668 -3.341 11.602 1.00 0.00 O ATOM 0 H ASP A 61 2.595 -3.695 7.985 1.00 0.00 H new ATOM 0 HA ASP A 61 2.931 -1.066 9.081 1.00 0.00 H new ATOM 0 HB2 ASP A 61 3.356 -3.900 9.880 1.00 0.00 H new ATOM 0 HB3 ASP A 61 4.461 -2.757 10.618 1.00 0.00 H new ATOM 939 N ASN A 62 5.462 -2.550 7.633 1.00 0.00 N ATOM 940 CA ASN A 62 6.820 -2.350 7.141 1.00 0.00 C ATOM 941 C ASN A 62 6.830 -1.419 5.933 1.00 0.00 C ATOM 942 O ASN A 62 7.702 -0.558 5.809 1.00 0.00 O ATOM 943 CB ASN A 62 7.452 -3.694 6.768 1.00 0.00 C ATOM 944 CG ASN A 62 8.113 -4.370 7.953 1.00 0.00 C ATOM 945 OD1 ASN A 62 9.336 -4.352 8.090 1.00 0.00 O ATOM 946 ND2 ASN A 62 7.304 -4.973 8.817 1.00 0.00 N ATOM 0 H ASN A 62 5.019 -3.411 7.311 1.00 0.00 H new ATOM 0 HA ASN A 62 7.404 -1.889 7.937 1.00 0.00 H new ATOM 0 HB2 ASN A 62 6.685 -4.352 6.359 1.00 0.00 H new ATOM 0 HB3 ASN A 62 8.192 -3.539 5.982 1.00 0.00 H new ATOM 0 HD21 ASN A 62 7.691 -5.446 9.634 1.00 0.00 H new ATOM 0 HD22 ASN A 62 6.296 -4.963 8.664 1.00 0.00 H new ATOM 953 N TYR A 63 5.858 -1.599 5.046 1.00 0.00 N ATOM 954 CA TYR A 63 5.756 -0.776 3.846 1.00 0.00 C ATOM 955 C TYR A 63 5.583 0.696 4.208 1.00 0.00 C ATOM 956 O TYR A 63 6.032 1.581 3.480 1.00 0.00 O ATOM 957 CB TYR A 63 4.583 -1.241 2.982 1.00 0.00 C ATOM 958 CG TYR A 63 4.657 -0.761 1.550 1.00 0.00 C ATOM 959 CD1 TYR A 63 5.819 -0.916 0.805 1.00 0.00 C ATOM 960 CD2 TYR A 63 3.565 -0.151 0.945 1.00 0.00 C ATOM 961 CE1 TYR A 63 5.891 -0.477 -0.503 1.00 0.00 C ATOM 962 CE2 TYR A 63 3.629 0.290 -0.363 1.00 0.00 C ATOM 963 CZ TYR A 63 4.793 0.124 -1.083 1.00 0.00 C ATOM 964 OH TYR A 63 4.861 0.561 -2.386 1.00 0.00 O ATOM 0 H TYR A 63 5.129 -2.307 5.135 1.00 0.00 H new ATOM 0 HA TYR A 63 6.681 -0.886 3.281 1.00 0.00 H new ATOM 0 HB2 TYR A 63 4.547 -2.330 2.990 1.00 0.00 H new ATOM 0 HB3 TYR A 63 3.653 -0.888 3.427 1.00 0.00 H new ATOM 0 HD1 TYR A 63 6.680 -1.387 1.255 1.00 0.00 H new ATOM 0 HD2 TYR A 63 2.652 -0.019 1.506 1.00 0.00 H new ATOM 0 HE1 TYR A 63 6.802 -0.604 -1.069 1.00 0.00 H new ATOM 0 HE2 TYR A 63 2.771 0.762 -0.819 1.00 0.00 H new ATOM 0 HH TYR A 63 4.581 -0.160 -2.988 1.00 0.00 H new ATOM 974 N GLU A 64 4.929 0.951 5.336 1.00 0.00 N ATOM 975 CA GLU A 64 4.697 2.316 5.794 1.00 0.00 C ATOM 976 C GLU A 64 6.005 2.979 6.214 1.00 0.00 C ATOM 977 O GLU A 64 6.320 4.085 5.777 1.00 0.00 O ATOM 978 CB GLU A 64 3.709 2.323 6.962 1.00 0.00 C ATOM 979 CG GLU A 64 3.200 3.710 7.320 1.00 0.00 C ATOM 980 CD GLU A 64 1.774 3.692 7.833 1.00 0.00 C ATOM 981 OE1 GLU A 64 1.495 2.936 8.787 1.00 0.00 O ATOM 982 OE2 GLU A 64 0.935 4.435 7.281 1.00 0.00 O ATOM 0 H GLU A 64 4.550 0.230 5.950 1.00 0.00 H new ATOM 0 HA GLU A 64 4.273 2.884 4.966 1.00 0.00 H new ATOM 0 HB2 GLU A 64 2.860 1.687 6.713 1.00 0.00 H new ATOM 0 HB3 GLU A 64 4.190 1.885 7.836 1.00 0.00 H new ATOM 0 HG2 GLU A 64 3.850 4.147 8.078 1.00 0.00 H new ATOM 0 HG3 GLU A 64 3.258 4.353 6.441 1.00 0.00 H new ATOM 989 N VAL A 65 6.763 2.294 7.064 1.00 0.00 N ATOM 990 CA VAL A 65 8.037 2.817 7.543 1.00 0.00 C ATOM 991 C VAL A 65 9.029 2.984 6.397 1.00 0.00 C ATOM 992 O VAL A 65 9.929 3.821 6.459 1.00 0.00 O ATOM 993 CB VAL A 65 8.657 1.896 8.612 1.00 0.00 C ATOM 994 CG1 VAL A 65 9.877 2.551 9.239 1.00 0.00 C ATOM 995 CG2 VAL A 65 7.626 1.542 9.673 1.00 0.00 C ATOM 0 H VAL A 65 6.517 1.376 7.435 1.00 0.00 H new ATOM 0 HA VAL A 65 7.831 3.791 7.987 1.00 0.00 H new ATOM 0 HB VAL A 65 8.979 0.973 8.129 1.00 0.00 H new ATOM 0 HG11 VAL A 65 10.301 1.886 9.991 1.00 0.00 H new ATOM 0 HG12 VAL A 65 10.621 2.747 8.467 1.00 0.00 H new ATOM 0 HG13 VAL A 65 9.585 3.490 9.709 1.00 0.00 H new ATOM 0 HG21 VAL A 65 8.081 0.891 10.420 1.00 0.00 H new ATOM 0 HG22 VAL A 65 7.271 2.454 10.154 1.00 0.00 H new ATOM 0 HG23 VAL A 65 6.786 1.027 9.207 1.00 0.00 H new ATOM 1005 N SER A 66 8.860 2.182 5.350 1.00 0.00 N ATOM 1006 CA SER A 66 9.742 2.244 4.189 1.00 0.00 C ATOM 1007 C SER A 66 9.132 3.103 3.086 1.00 0.00 C ATOM 1008 O SER A 66 9.270 2.800 1.901 1.00 0.00 O ATOM 1009 CB SER A 66 10.020 0.836 3.659 1.00 0.00 C ATOM 1010 OG SER A 66 10.897 0.874 2.546 1.00 0.00 O ATOM 0 H SER A 66 8.121 1.482 5.282 1.00 0.00 H new ATOM 0 HA SER A 66 10.681 2.700 4.502 1.00 0.00 H new ATOM 0 HB2 SER A 66 10.457 0.226 4.450 1.00 0.00 H new ATOM 0 HB3 SER A 66 9.082 0.361 3.371 1.00 0.00 H new ATOM 0 HG SER A 66 10.559 1.513 1.885 1.00 0.00 H new ATOM 1016 N GLY A 67 8.456 4.177 3.483 1.00 0.00 N ATOM 1017 CA GLY A 67 7.837 5.064 2.516 1.00 0.00 C ATOM 1018 C GLY A 67 6.733 4.385 1.731 1.00 0.00 C ATOM 1019 O GLY A 67 6.859 4.176 0.524 1.00 0.00 O ATOM 0 H GLY A 67 8.326 4.448 4.458 1.00 0.00 H new ATOM 0 HA2 GLY A 67 7.430 5.933 3.033 1.00 0.00 H new ATOM 0 HA3 GLY A 67 8.597 5.431 1.826 1.00 0.00 H new ATOM 1023 N GLY A 68 5.647 4.043 2.414 1.00 0.00 N ATOM 1024 CA GLY A 68 4.531 3.390 1.757 1.00 0.00 C ATOM 1025 C GLY A 68 3.640 4.368 1.017 1.00 0.00 C ATOM 1026 O GLY A 68 2.941 5.170 1.636 1.00 0.00 O ATOM 0 H GLY A 68 5.519 4.207 3.413 1.00 0.00 H new ATOM 0 HA2 GLY A 68 4.911 2.647 1.056 1.00 0.00 H new ATOM 0 HA3 GLY A 68 3.939 2.854 2.499 1.00 0.00 H new ATOM 1030 N THR A 69 3.666 4.304 -0.310 1.00 0.00 N ATOM 1031 CA THR A 69 2.855 5.192 -1.135 1.00 0.00 C ATOM 1032 C THR A 69 1.652 4.452 -1.712 1.00 0.00 C ATOM 1033 O THR A 69 1.715 3.251 -1.973 1.00 0.00 O ATOM 1034 CB THR A 69 3.698 5.781 -2.267 1.00 0.00 C ATOM 1035 OG1 THR A 69 5.074 5.755 -1.934 1.00 0.00 O ATOM 1036 CG2 THR A 69 3.333 7.211 -2.602 1.00 0.00 C ATOM 0 H THR A 69 4.240 3.646 -0.837 1.00 0.00 H new ATOM 0 HA THR A 69 2.491 6.002 -0.503 1.00 0.00 H new ATOM 0 HB THR A 69 3.491 5.157 -3.136 1.00 0.00 H new ATOM 0 HG1 THR A 69 5.596 6.134 -2.671 1.00 0.00 H new ATOM 0 HG21 THR A 69 3.968 7.568 -3.413 1.00 0.00 H new ATOM 0 HG22 THR A 69 2.289 7.257 -2.912 1.00 0.00 H new ATOM 0 HG23 THR A 69 3.479 7.839 -1.723 1.00 0.00 H new ATOM 1044 N VAL A 70 0.556 5.179 -1.909 1.00 0.00 N ATOM 1045 CA VAL A 70 -0.661 4.592 -2.455 1.00 0.00 C ATOM 1046 C VAL A 70 -0.524 4.332 -3.952 1.00 0.00 C ATOM 1047 O VAL A 70 -1.130 3.405 -4.489 1.00 0.00 O ATOM 1048 CB VAL A 70 -1.881 5.501 -2.213 1.00 0.00 C ATOM 1049 CG1 VAL A 70 -3.165 4.786 -2.603 1.00 0.00 C ATOM 1050 CG2 VAL A 70 -1.932 5.952 -0.762 1.00 0.00 C ATOM 0 H VAL A 70 0.487 6.175 -1.699 1.00 0.00 H new ATOM 0 HA VAL A 70 -0.814 3.645 -1.937 1.00 0.00 H new ATOM 0 HB VAL A 70 -1.781 6.387 -2.840 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -4.016 5.443 -2.425 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -3.127 4.520 -3.659 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -3.274 3.882 -2.005 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -2.800 6.593 -0.611 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -2.007 5.080 -0.112 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -1.025 6.507 -0.521 1.00 0.00 H new ATOM 1060 N ARG A 71 0.277 5.157 -4.620 1.00 0.00 N ATOM 1061 CA ARG A 71 0.493 5.018 -6.055 1.00 0.00 C ATOM 1062 C ARG A 71 1.101 3.658 -6.385 1.00 0.00 C ATOM 1063 O ARG A 71 0.707 3.008 -7.353 1.00 0.00 O ATOM 1064 CB ARG A 71 1.404 6.136 -6.567 1.00 0.00 C ATOM 1065 CG ARG A 71 0.648 7.308 -7.172 1.00 0.00 C ATOM 1066 CD ARG A 71 1.597 8.379 -7.689 1.00 0.00 C ATOM 1067 NE ARG A 71 1.318 8.732 -9.078 1.00 0.00 N ATOM 1068 CZ ARG A 71 0.213 9.357 -9.477 1.00 0.00 C ATOM 1069 NH1 ARG A 71 -0.718 9.701 -8.597 1.00 0.00 N ATOM 1070 NH2 ARG A 71 0.040 9.641 -10.762 1.00 0.00 N ATOM 0 H ARG A 71 0.787 5.929 -4.190 1.00 0.00 H new ATOM 0 HA ARG A 71 -0.475 5.093 -6.551 1.00 0.00 H new ATOM 0 HB2 ARG A 71 2.019 6.498 -5.743 1.00 0.00 H new ATOM 0 HB3 ARG A 71 2.082 5.726 -7.316 1.00 0.00 H new ATOM 0 HG2 ARG A 71 0.019 6.954 -7.988 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -0.015 7.740 -6.423 1.00 0.00 H new ATOM 0 HD2 ARG A 71 1.514 9.269 -7.065 1.00 0.00 H new ATOM 0 HD3 ARG A 71 2.624 8.025 -7.604 1.00 0.00 H new ATOM 0 HE ARG A 71 2.011 8.485 -9.784 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -0.589 9.487 -7.608 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -1.563 10.180 -8.909 1.00 0.00 H new ATOM 0 HH21 ARG A 71 0.754 9.380 -11.443 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -0.807 10.120 -11.069 1.00 0.00 H new ATOM 1084 N GLU A 72 2.062 3.238 -5.573 1.00 0.00 N ATOM 1085 CA GLU A 72 2.729 1.957 -5.774 1.00 0.00 C ATOM 1086 C GLU A 72 1.812 0.801 -5.387 1.00 0.00 C ATOM 1087 O GLU A 72 1.895 -0.288 -5.957 1.00 0.00 O ATOM 1088 CB GLU A 72 4.020 1.897 -4.956 1.00 0.00 C ATOM 1089 CG GLU A 72 5.002 3.009 -5.286 1.00 0.00 C ATOM 1090 CD GLU A 72 5.493 2.945 -6.719 1.00 0.00 C ATOM 1091 OE1 GLU A 72 5.539 1.831 -7.282 1.00 0.00 O ATOM 1092 OE2 GLU A 72 5.832 4.009 -7.279 1.00 0.00 O ATOM 0 H GLU A 72 2.398 3.766 -4.768 1.00 0.00 H new ATOM 0 HA GLU A 72 2.974 1.864 -6.832 1.00 0.00 H new ATOM 0 HB2 GLU A 72 3.771 1.946 -3.896 1.00 0.00 H new ATOM 0 HB3 GLU A 72 4.503 0.935 -5.126 1.00 0.00 H new ATOM 0 HG2 GLU A 72 4.525 3.974 -5.112 1.00 0.00 H new ATOM 0 HG3 GLU A 72 5.855 2.948 -4.610 1.00 0.00 H new ATOM 1099 N LEU A 73 0.939 1.045 -4.417 1.00 0.00 N ATOM 1100 CA LEU A 73 0.006 0.025 -3.953 1.00 0.00 C ATOM 1101 C LEU A 73 -1.046 -0.273 -5.018 1.00 0.00 C ATOM 1102 O LEU A 73 -1.340 -1.433 -5.306 1.00 0.00 O ATOM 1103 CB LEU A 73 -0.674 0.476 -2.660 1.00 0.00 C ATOM 1104 CG LEU A 73 -1.271 -0.650 -1.816 1.00 0.00 C ATOM 1105 CD1 LEU A 73 -0.179 -1.379 -1.049 1.00 0.00 C ATOM 1106 CD2 LEU A 73 -2.320 -0.100 -0.861 1.00 0.00 C ATOM 0 H LEU A 73 0.858 1.941 -3.936 1.00 0.00 H new ATOM 0 HA LEU A 73 0.570 -0.887 -3.759 1.00 0.00 H new ATOM 0 HB2 LEU A 73 0.053 1.017 -2.055 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -1.467 1.181 -2.911 1.00 0.00 H new ATOM 0 HG LEU A 73 -1.754 -1.363 -2.484 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -0.623 -2.177 -0.454 1.00 0.00 H new ATOM 0 HD12 LEU A 73 0.537 -1.806 -1.752 1.00 0.00 H new ATOM 0 HD13 LEU A 73 0.333 -0.678 -0.391 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -2.735 -0.915 -0.268 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -1.860 0.633 -0.199 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -3.118 0.376 -1.431 1.00 0.00 H new ATOM 1118 N VAL A 74 -1.610 0.782 -5.597 1.00 0.00 N ATOM 1119 CA VAL A 74 -2.629 0.634 -6.629 1.00 0.00 C ATOM 1120 C VAL A 74 -2.057 -0.039 -7.873 1.00 0.00 C ATOM 1121 O VAL A 74 -2.748 -0.793 -8.557 1.00 0.00 O ATOM 1122 CB VAL A 74 -3.230 1.996 -7.026 1.00 0.00 C ATOM 1123 CG1 VAL A 74 -4.403 1.806 -7.977 1.00 0.00 C ATOM 1124 CG2 VAL A 74 -3.656 2.775 -5.791 1.00 0.00 C ATOM 0 H VAL A 74 -1.378 1.749 -5.369 1.00 0.00 H new ATOM 0 HA VAL A 74 -3.416 0.008 -6.209 1.00 0.00 H new ATOM 0 HB VAL A 74 -2.463 2.573 -7.542 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -4.814 2.779 -8.246 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -4.062 1.294 -8.877 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -5.173 1.209 -7.490 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -4.078 3.734 -6.093 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -4.406 2.205 -5.242 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -2.790 2.945 -5.151 1.00 0.00 H new ATOM 1134 N GLU A 75 -0.789 0.240 -8.160 1.00 0.00 N ATOM 1135 CA GLU A 75 -0.123 -0.339 -9.321 1.00 0.00 C ATOM 1136 C GLU A 75 0.254 -1.794 -9.064 1.00 0.00 C ATOM 1137 O GLU A 75 0.053 -2.658 -9.919 1.00 0.00 O ATOM 1138 CB GLU A 75 1.128 0.471 -9.673 1.00 0.00 C ATOM 1139 CG GLU A 75 0.895 1.508 -10.759 1.00 0.00 C ATOM 1140 CD GLU A 75 2.038 1.578 -11.753 1.00 0.00 C ATOM 1141 OE1 GLU A 75 3.078 2.184 -11.419 1.00 0.00 O ATOM 1142 OE2 GLU A 75 1.893 1.028 -12.864 1.00 0.00 O ATOM 0 H GLU A 75 -0.203 0.863 -7.605 1.00 0.00 H new ATOM 0 HA GLU A 75 -0.817 -0.307 -10.161 1.00 0.00 H new ATOM 0 HB2 GLU A 75 1.491 0.972 -8.776 1.00 0.00 H new ATOM 0 HB3 GLU A 75 1.914 -0.212 -9.997 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -0.028 1.273 -11.289 1.00 0.00 H new ATOM 0 HG3 GLU A 75 0.758 2.486 -10.299 1.00 0.00 H new ATOM 1149 N ALA A 76 0.801 -2.059 -7.882 1.00 0.00 N ATOM 1150 CA ALA A 76 1.206 -3.411 -7.513 1.00 0.00 C ATOM 1151 C ALA A 76 0.019 -4.367 -7.542 1.00 0.00 C ATOM 1152 O ALA A 76 0.118 -5.480 -8.058 1.00 0.00 O ATOM 1153 CB ALA A 76 1.852 -3.410 -6.136 1.00 0.00 C ATOM 0 H ALA A 76 0.974 -1.356 -7.164 1.00 0.00 H new ATOM 0 HA ALA A 76 1.936 -3.758 -8.245 1.00 0.00 H new ATOM 0 HB1 ALA A 76 2.149 -4.425 -5.873 1.00 0.00 H new ATOM 0 HB2 ALA A 76 2.731 -2.766 -6.147 1.00 0.00 H new ATOM 0 HB3 ALA A 76 1.139 -3.039 -5.400 1.00 0.00 H new ATOM 1159 N LEU A 77 -1.104 -3.925 -6.984 1.00 0.00 N ATOM 1160 CA LEU A 77 -2.312 -4.742 -6.947 1.00 0.00 C ATOM 1161 C LEU A 77 -2.821 -5.026 -8.356 1.00 0.00 C ATOM 1162 O LEU A 77 -3.350 -6.103 -8.630 1.00 0.00 O ATOM 1163 CB LEU A 77 -3.400 -4.043 -6.130 1.00 0.00 C ATOM 1164 CG LEU A 77 -3.118 -3.939 -4.630 1.00 0.00 C ATOM 1165 CD1 LEU A 77 -4.027 -2.903 -3.988 1.00 0.00 C ATOM 1166 CD2 LEU A 77 -3.294 -5.294 -3.961 1.00 0.00 C ATOM 0 H LEU A 77 -1.202 -3.006 -6.552 1.00 0.00 H new ATOM 0 HA LEU A 77 -2.064 -5.691 -6.472 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -3.542 -3.038 -6.528 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -4.339 -4.578 -6.271 1.00 0.00 H new ATOM 0 HG LEU A 77 -2.085 -3.620 -4.494 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -3.813 -2.842 -2.921 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -3.853 -1.931 -4.449 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -5.068 -3.192 -4.133 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -3.090 -5.202 -2.894 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -4.317 -5.641 -4.106 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -2.602 -6.011 -4.403 1.00 0.00 H new ATOM 1178 N ARG A 78 -2.659 -4.052 -9.245 1.00 0.00 N ATOM 1179 CA ARG A 78 -3.102 -4.198 -10.627 1.00 0.00 C ATOM 1180 C ARG A 78 -2.203 -5.166 -11.388 1.00 0.00 C ATOM 1181 O ARG A 78 -2.652 -5.861 -12.299 1.00 0.00 O ATOM 1182 CB ARG A 78 -3.116 -2.837 -11.326 1.00 0.00 C ATOM 1183 CG ARG A 78 -4.307 -2.640 -12.250 1.00 0.00 C ATOM 1184 CD ARG A 78 -4.153 -1.390 -13.100 1.00 0.00 C ATOM 1185 NE ARG A 78 -4.686 -1.576 -14.448 1.00 0.00 N ATOM 1186 CZ ARG A 78 -4.177 -2.427 -15.336 1.00 0.00 C ATOM 1187 NH1 ARG A 78 -3.124 -3.172 -15.023 1.00 0.00 N ATOM 1188 NH2 ARG A 78 -4.723 -2.533 -16.541 1.00 0.00 N ATOM 0 H ARG A 78 -2.225 -3.154 -9.034 1.00 0.00 H new ATOM 0 HA ARG A 78 -4.114 -4.604 -10.617 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -3.118 -2.050 -10.571 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -2.197 -2.724 -11.902 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -4.414 -3.510 -12.897 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -5.220 -2.569 -11.658 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -4.667 -0.558 -12.618 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -3.099 -1.121 -13.161 1.00 0.00 H new ATOM 0 HE ARG A 78 -5.496 -1.021 -14.725 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -2.701 -3.094 -14.098 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -2.738 -3.823 -15.707 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -5.532 -1.963 -16.786 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -4.333 -3.185 -17.222 1.00 0.00 H new ATOM 1202 N GLN A 79 -0.930 -5.206 -11.007 1.00 0.00 N ATOM 1203 CA GLN A 79 0.033 -6.088 -11.654 1.00 0.00 C ATOM 1204 C GLN A 79 -0.304 -7.552 -11.387 1.00 0.00 C ATOM 1205 O GLN A 79 -0.039 -8.422 -12.217 1.00 0.00 O ATOM 1206 CB GLN A 79 1.448 -5.781 -11.160 1.00 0.00 C ATOM 1207 CG GLN A 79 2.056 -4.541 -11.794 1.00 0.00 C ATOM 1208 CD GLN A 79 3.460 -4.260 -11.294 1.00 0.00 C ATOM 1209 OE1 GLN A 79 4.379 -5.050 -11.512 1.00 0.00 O ATOM 1210 NE2 GLN A 79 3.633 -3.129 -10.618 1.00 0.00 N ATOM 0 H GLN A 79 -0.542 -4.638 -10.254 1.00 0.00 H new ATOM 0 HA GLN A 79 -0.016 -5.913 -12.729 1.00 0.00 H new ATOM 0 HB2 GLN A 79 1.427 -5.653 -10.078 1.00 0.00 H new ATOM 0 HB3 GLN A 79 2.090 -6.637 -11.367 1.00 0.00 H new ATOM 0 HG2 GLN A 79 2.078 -4.664 -12.877 1.00 0.00 H new ATOM 0 HG3 GLN A 79 1.420 -3.681 -11.584 1.00 0.00 H new ATOM 0 HE21 GLN A 79 2.843 -2.503 -10.460 1.00 0.00 H new ATOM 0 HE22 GLN A 79 4.556 -2.887 -10.257 1.00 0.00 H new ATOM 1219 N MET A 80 -0.889 -7.817 -10.224 1.00 0.00 N ATOM 1220 CA MET A 80 -1.263 -9.176 -9.849 1.00 0.00 C ATOM 1221 C MET A 80 -2.645 -9.529 -10.388 1.00 0.00 C ATOM 1222 O MET A 80 -2.924 -10.687 -10.699 1.00 0.00 O ATOM 1223 CB MET A 80 -1.240 -9.332 -8.327 1.00 0.00 C ATOM 1224 CG MET A 80 0.161 -9.357 -7.739 1.00 0.00 C ATOM 1225 SD MET A 80 0.265 -8.500 -6.156 1.00 0.00 S ATOM 1226 CE MET A 80 -0.417 -9.737 -5.056 1.00 0.00 C ATOM 0 H MET A 80 -1.114 -7.109 -9.525 1.00 0.00 H new ATOM 0 HA MET A 80 -0.537 -9.860 -10.288 1.00 0.00 H new ATOM 0 HB2 MET A 80 -1.799 -8.511 -7.878 1.00 0.00 H new ATOM 0 HB3 MET A 80 -1.755 -10.254 -8.057 1.00 0.00 H new ATOM 0 HG2 MET A 80 0.478 -10.392 -7.609 1.00 0.00 H new ATOM 0 HG3 MET A 80 0.855 -8.897 -8.443 1.00 0.00 H new ATOM 0 HE1 MET A 80 -1.281 -9.324 -4.535 1.00 0.00 H new ATOM 0 HE2 MET A 80 -0.724 -10.609 -5.634 1.00 0.00 H new ATOM 0 HE3 MET A 80 0.338 -10.032 -4.328 1.00 0.00 H new ATOM 1236 N GLY A 81 -3.506 -8.523 -10.498 1.00 0.00 N ATOM 1237 CA GLY A 81 -4.850 -8.747 -11.001 1.00 0.00 C ATOM 1238 C GLY A 81 -5.915 -8.497 -9.952 1.00 0.00 C ATOM 1239 O GLY A 81 -7.004 -9.067 -10.016 1.00 0.00 O ATOM 0 H GLY A 81 -3.298 -7.556 -10.248 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -5.027 -8.094 -11.856 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -4.933 -9.773 -11.360 1.00 0.00 H new ATOM 1243 N TYR A 82 -5.603 -7.641 -8.984 1.00 0.00 N ATOM 1244 CA TYR A 82 -6.544 -7.316 -7.918 1.00 0.00 C ATOM 1245 C TYR A 82 -7.542 -6.259 -8.381 1.00 0.00 C ATOM 1246 O TYR A 82 -7.158 -5.234 -8.945 1.00 0.00 O ATOM 1247 CB TYR A 82 -5.794 -6.823 -6.679 1.00 0.00 C ATOM 1248 CG TYR A 82 -5.636 -7.878 -5.607 1.00 0.00 C ATOM 1249 CD1 TYR A 82 -6.745 -8.423 -4.974 1.00 0.00 C ATOM 1250 CD2 TYR A 82 -4.377 -8.329 -5.229 1.00 0.00 C ATOM 1251 CE1 TYR A 82 -6.605 -9.387 -3.993 1.00 0.00 C ATOM 1252 CE2 TYR A 82 -4.229 -9.292 -4.250 1.00 0.00 C ATOM 1253 CZ TYR A 82 -5.345 -9.818 -3.635 1.00 0.00 C ATOM 1254 OH TYR A 82 -5.202 -10.778 -2.660 1.00 0.00 O ATOM 0 H TYR A 82 -4.706 -7.160 -8.916 1.00 0.00 H new ATOM 0 HA TYR A 82 -7.094 -8.221 -7.661 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -4.807 -6.471 -6.978 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -6.324 -5.968 -6.260 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -7.733 -8.088 -5.253 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -3.500 -7.920 -5.709 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -7.478 -9.800 -3.510 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -3.243 -9.631 -3.968 1.00 0.00 H new ATOM 0 HH TYR A 82 -6.086 -11.100 -2.386 1.00 0.00 H new ATOM 1264 N THR A 83 -8.823 -6.514 -8.137 1.00 0.00 N ATOM 1265 CA THR A 83 -9.876 -5.584 -8.529 1.00 0.00 C ATOM 1266 C THR A 83 -10.583 -5.014 -7.304 1.00 0.00 C ATOM 1267 O THR A 83 -10.907 -3.827 -7.259 1.00 0.00 O ATOM 1268 CB THR A 83 -10.888 -6.282 -9.438 1.00 0.00 C ATOM 1269 OG1 THR A 83 -10.238 -6.896 -10.536 1.00 0.00 O ATOM 1270 CG2 THR A 83 -11.940 -5.346 -9.992 1.00 0.00 C ATOM 0 H THR A 83 -9.157 -7.357 -7.670 1.00 0.00 H new ATOM 0 HA THR A 83 -9.415 -4.761 -9.075 1.00 0.00 H new ATOM 0 HB THR A 83 -11.379 -7.022 -8.807 1.00 0.00 H new ATOM 0 HG1 THR A 83 -10.903 -7.338 -11.104 1.00 0.00 H new ATOM 0 HG21 THR A 83 -12.626 -5.905 -10.628 1.00 0.00 H new ATOM 0 HG22 THR A 83 -12.495 -4.894 -9.170 1.00 0.00 H new ATOM 0 HG23 THR A 83 -11.458 -4.563 -10.578 1.00 0.00 H new ATOM 1278 N GLU A 84 -10.820 -5.866 -6.313 1.00 0.00 N ATOM 1279 CA GLU A 84 -11.489 -5.447 -5.088 1.00 0.00 C ATOM 1280 C GLU A 84 -10.543 -4.650 -4.195 1.00 0.00 C ATOM 1281 O GLU A 84 -10.938 -3.655 -3.586 1.00 0.00 O ATOM 1282 CB GLU A 84 -12.022 -6.664 -4.329 1.00 0.00 C ATOM 1283 CG GLU A 84 -13.353 -6.417 -3.640 1.00 0.00 C ATOM 1284 CD GLU A 84 -13.202 -6.171 -2.152 1.00 0.00 C ATOM 1285 OE1 GLU A 84 -12.779 -7.102 -1.436 1.00 0.00 O ATOM 1286 OE2 GLU A 84 -13.508 -5.046 -1.701 1.00 0.00 O ATOM 0 H GLU A 84 -10.558 -6.852 -6.334 1.00 0.00 H new ATOM 0 HA GLU A 84 -12.326 -4.805 -5.364 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -12.132 -7.496 -5.025 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -11.287 -6.967 -3.583 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -13.842 -5.557 -4.099 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -14.005 -7.276 -3.798 1.00 0.00 H new ATOM 1293 N ALA A 85 -9.292 -5.093 -4.123 1.00 0.00 N ATOM 1294 CA ALA A 85 -8.289 -4.422 -3.305 1.00 0.00 C ATOM 1295 C ALA A 85 -8.089 -2.979 -3.756 1.00 0.00 C ATOM 1296 O ALA A 85 -7.918 -2.079 -2.933 1.00 0.00 O ATOM 1297 CB ALA A 85 -6.972 -5.180 -3.357 1.00 0.00 C ATOM 0 H ALA A 85 -8.949 -5.914 -4.622 1.00 0.00 H new ATOM 0 HA ALA A 85 -8.646 -4.407 -2.275 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -6.233 -4.667 -2.742 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -7.119 -6.192 -2.980 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -6.618 -5.225 -4.387 1.00 0.00 H new ATOM 1303 N ILE A 86 -8.112 -2.765 -5.067 1.00 0.00 N ATOM 1304 CA ILE A 86 -7.932 -1.432 -5.628 1.00 0.00 C ATOM 1305 C ILE A 86 -9.162 -0.563 -5.382 1.00 0.00 C ATOM 1306 O ILE A 86 -9.055 0.655 -5.235 1.00 0.00 O ATOM 1307 CB ILE A 86 -7.655 -1.490 -7.142 1.00 0.00 C ATOM 1308 CG1 ILE A 86 -6.545 -2.501 -7.440 1.00 0.00 C ATOM 1309 CG2 ILE A 86 -7.279 -0.112 -7.666 1.00 0.00 C ATOM 1310 CD1 ILE A 86 -6.215 -2.619 -8.912 1.00 0.00 C ATOM 0 H ILE A 86 -8.254 -3.499 -5.761 1.00 0.00 H new ATOM 0 HA ILE A 86 -7.070 -0.992 -5.126 1.00 0.00 H new ATOM 0 HB ILE A 86 -8.563 -1.814 -7.651 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -5.646 -2.212 -6.896 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -6.845 -3.479 -7.063 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -7.086 -0.170 -8.737 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -8.098 0.583 -7.482 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -6.383 0.240 -7.155 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -5.421 -3.353 -9.049 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -7.102 -2.938 -9.459 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -5.884 -1.651 -9.289 1.00 0.00 H new ATOM 1322 N GLU A 87 -10.328 -1.197 -5.337 1.00 0.00 N ATOM 1323 CA GLU A 87 -11.578 -0.482 -5.107 1.00 0.00 C ATOM 1324 C GLU A 87 -11.640 0.062 -3.684 1.00 0.00 C ATOM 1325 O GLU A 87 -12.210 1.125 -3.439 1.00 0.00 O ATOM 1326 CB GLU A 87 -12.773 -1.403 -5.365 1.00 0.00 C ATOM 1327 CG GLU A 87 -13.141 -1.525 -6.835 1.00 0.00 C ATOM 1328 CD GLU A 87 -14.533 -2.087 -7.042 1.00 0.00 C ATOM 1329 OE1 GLU A 87 -15.020 -2.811 -6.148 1.00 0.00 O ATOM 1330 OE2 GLU A 87 -15.136 -1.807 -8.099 1.00 0.00 O ATOM 0 H GLU A 87 -10.434 -2.204 -5.457 1.00 0.00 H new ATOM 0 HA GLU A 87 -11.619 0.358 -5.800 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -12.548 -2.394 -4.972 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -13.635 -1.029 -4.813 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -13.076 -0.544 -7.305 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -12.416 -2.167 -7.335 1.00 0.00 H new ATOM 1337 N VAL A 88 -11.051 -0.676 -2.748 1.00 0.00 N ATOM 1338 CA VAL A 88 -11.039 -0.268 -1.349 1.00 0.00 C ATOM 1339 C VAL A 88 -10.236 1.014 -1.156 1.00 0.00 C ATOM 1340 O VAL A 88 -10.620 1.887 -0.379 1.00 0.00 O ATOM 1341 CB VAL A 88 -10.447 -1.369 -0.448 1.00 0.00 C ATOM 1342 CG1 VAL A 88 -10.627 -1.011 1.019 1.00 0.00 C ATOM 1343 CG2 VAL A 88 -11.086 -2.714 -0.759 1.00 0.00 C ATOM 0 H VAL A 88 -10.576 -1.559 -2.934 1.00 0.00 H new ATOM 0 HA VAL A 88 -12.076 -0.091 -1.063 1.00 0.00 H new ATOM 0 HB VAL A 88 -9.379 -1.445 -0.651 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -10.203 -1.800 1.641 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -10.118 -0.070 1.229 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -11.689 -0.906 1.240 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -10.656 -3.479 -0.113 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -12.161 -2.655 -0.586 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -10.900 -2.973 -1.801 1.00 0.00 H new ATOM 1353 N ILE A 89 -9.119 1.120 -1.868 1.00 0.00 N ATOM 1354 CA ILE A 89 -8.263 2.296 -1.775 1.00 0.00 C ATOM 1355 C ILE A 89 -8.866 3.475 -2.531 1.00 0.00 C ATOM 1356 O ILE A 89 -8.787 4.618 -2.082 1.00 0.00 O ATOM 1357 CB ILE A 89 -6.852 2.012 -2.327 1.00 0.00 C ATOM 1358 CG1 ILE A 89 -6.276 0.743 -1.695 1.00 0.00 C ATOM 1359 CG2 ILE A 89 -5.934 3.198 -2.074 1.00 0.00 C ATOM 1360 CD1 ILE A 89 -5.405 -0.059 -2.636 1.00 0.00 C ATOM 0 H ILE A 89 -8.786 0.406 -2.515 1.00 0.00 H new ATOM 0 HA ILE A 89 -8.185 2.547 -0.717 1.00 0.00 H new ATOM 0 HB ILE A 89 -6.926 1.857 -3.403 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -5.691 1.017 -0.817 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -7.097 0.115 -1.348 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -4.942 2.981 -2.470 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -6.337 4.082 -2.569 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -5.865 3.382 -1.002 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -5.031 -0.944 -2.121 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -5.991 -0.364 -3.503 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -4.564 0.552 -2.963 1.00 0.00 H new ATOM 1372 N GLN A 90 -9.469 3.188 -3.679 1.00 0.00 N ATOM 1373 CA GLN A 90 -10.087 4.226 -4.497 1.00 0.00 C ATOM 1374 C GLN A 90 -11.320 4.800 -3.807 1.00 0.00 C ATOM 1375 O GLN A 90 -11.658 5.969 -3.992 1.00 0.00 O ATOM 1376 CB GLN A 90 -10.471 3.663 -5.867 1.00 0.00 C ATOM 1377 CG GLN A 90 -9.282 3.444 -6.789 1.00 0.00 C ATOM 1378 CD GLN A 90 -9.667 2.752 -8.081 1.00 0.00 C ATOM 1379 OE1 GLN A 90 -10.847 2.533 -8.355 1.00 0.00 O ATOM 1380 NE2 GLN A 90 -8.669 2.405 -8.886 1.00 0.00 N ATOM 0 H GLN A 90 -9.543 2.247 -4.064 1.00 0.00 H new ATOM 0 HA GLN A 90 -9.361 5.028 -4.631 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -10.992 2.716 -5.728 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -11.172 4.345 -6.348 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -8.823 4.406 -7.019 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -8.531 2.848 -6.272 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -7.705 2.606 -8.619 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -8.866 1.938 -9.771 1.00 0.00 H new ATOM 1389 N ALA A 91 -11.989 3.971 -3.012 1.00 0.00 N ATOM 1390 CA ALA A 91 -13.185 4.397 -2.295 1.00 0.00 C ATOM 1391 C ALA A 91 -12.885 5.582 -1.383 1.00 0.00 C ATOM 1392 O ALA A 91 -13.747 6.427 -1.142 1.00 0.00 O ATOM 1393 CB ALA A 91 -13.758 3.240 -1.491 1.00 0.00 C ATOM 0 H ALA A 91 -11.723 3.000 -2.848 1.00 0.00 H new ATOM 0 HA ALA A 91 -13.925 4.716 -3.029 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -14.651 3.572 -0.961 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -14.019 2.423 -2.164 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -13.016 2.894 -0.771 1.00 0.00 H new