USER MOD reduce.3.24.130724 H: found=0, std=0, add=728, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 726 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 42 GLN : amide:sc= -1.77 X(o=-2.2,f=-2.5) USER MOD Set 1.2: A 98 THR OG1 : rot 180:sc= -0.402 USER MOD Set 2.1: A 9 MET CE :methyl -128:sc= -0.332 (180deg=-1.38!) USER MOD Set 2.2: A 85 HIS : no HE2:sc= -2.05 K(o=-2.4,f=-4.6!) USER MOD Set 3.1: A 53 ASN : amide:sc= 0.191 K(o=0.36,f=-7.7) USER MOD Set 3.2: A 55 ASN : amide:sc= 0.173 K(o=0.36,f=-5.8!) USER MOD Single : A 8 THR OG1 : rot 38:sc= 0.303 USER MOD Single : A 14 SER OG : rot -168:sc= 0.274 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 27 HIS : no HE2:sc= -5.92! C(o=-5.9!,f=-5.3!) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0.00861 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 GLN : amide:sc=-0.000775 X(o=-0.00078,f=0) USER MOD Single : A 34 LYS NZ :NH3+ 136:sc= 1.06 (180deg=-0.0494) USER MOD Single : A 35 THR OG1 : rot 101:sc= 0.0812 USER MOD Single : A 38 GLN : amide:sc= -0.58 X(o=-0.58,f=-0.67) USER MOD Single : A 40 GLN : amide:sc= -4.19! C(o=-4.2!,f=-4.9!) USER MOD Single : A 46 HIS : no HD1:sc= -3.37! C(o=-3.4!,f=-8.2!) USER MOD Single : A 47 ASN : amide:sc= -4.08! C(o=-4.1!,f=-5.6!) USER MOD Single : A 48 GLN : amide:sc= -3.16! C(o=-3.2!,f=-11!) USER MOD Single : A 49 THR OG1 : rot 180:sc= -0.0345 USER MOD Single : A 51 SER OG : rot 6:sc= -0.337 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0.103 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 180:sc= -0.306 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 61:sc= 0.131 USER MOD Single : A 71 MET CE :methyl -175:sc= -4.92! (180deg=-5.58!) USER MOD Single : A 75 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 79 SER OG : rot -33:sc= 0.0346 USER MOD Single : A 80 SER OG : rot 140:sc= 0 USER MOD Single : A 82 ASN : amide:sc= -0.0868 K(o=-0.087,f=-1) USER MOD Single : A 87 SER OG : rot 130:sc= -0.694 USER MOD Single : A 88 MET CE :methyl -136:sc= -5.62! (180deg=-10.5!) USER MOD Single : A 90 TYR OH : rot 180:sc= -0.76 USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 66 N THR A 8 -9.326 8.921 8.231 1.00 0.00 N ATOM 67 CA THR A 8 -9.207 7.551 8.701 1.00 0.00 C ATOM 68 C THR A 8 -7.821 6.993 8.370 1.00 0.00 C ATOM 69 O THR A 8 -7.307 7.208 7.274 1.00 0.00 O ATOM 70 CB THR A 8 -10.351 6.740 8.088 1.00 0.00 C ATOM 71 OG1 THR A 8 -11.527 7.414 8.527 1.00 0.00 O ATOM 72 CG2 THR A 8 -10.471 5.343 8.700 1.00 0.00 C ATOM 0 HA THR A 8 -9.295 7.495 9.786 1.00 0.00 H new ATOM 0 HB THR A 8 -10.199 6.653 7.012 1.00 0.00 H new ATOM 0 HG1 THR A 8 -11.372 8.382 8.519 1.00 0.00 H new ATOM 0 HG21 THR A 8 -11.297 4.810 8.230 1.00 0.00 H new ATOM 0 HG22 THR A 8 -9.544 4.793 8.536 1.00 0.00 H new ATOM 0 HG23 THR A 8 -10.657 5.430 9.771 1.00 0.00 H new ATOM 80 N MET A 9 -7.257 6.286 9.339 1.00 0.00 N ATOM 81 CA MET A 9 -5.941 5.695 9.165 1.00 0.00 C ATOM 82 C MET A 9 -6.010 4.169 9.251 1.00 0.00 C ATOM 83 O MET A 9 -6.861 3.621 9.949 1.00 0.00 O ATOM 84 CB MET A 9 -4.996 6.225 10.245 1.00 0.00 C ATOM 85 CG MET A 9 -3.568 5.725 10.018 1.00 0.00 C ATOM 86 SD MET A 9 -3.338 4.150 10.826 1.00 0.00 S ATOM 87 CE MET A 9 -3.513 4.647 12.531 1.00 0.00 C ATOM 0 H MET A 9 -7.687 6.109 10.247 1.00 0.00 H new ATOM 0 HA MET A 9 -5.568 5.968 8.178 1.00 0.00 H new ATOM 0 HB2 MET A 9 -5.008 7.315 10.241 1.00 0.00 H new ATOM 0 HB3 MET A 9 -5.345 5.906 11.227 1.00 0.00 H new ATOM 0 HG2 MET A 9 -3.373 5.627 8.950 1.00 0.00 H new ATOM 0 HG3 MET A 9 -2.854 6.451 10.407 1.00 0.00 H new ATOM 0 HE1 MET A 9 -2.658 4.288 13.104 1.00 0.00 H new ATOM 0 HE2 MET A 9 -3.559 5.734 12.590 1.00 0.00 H new ATOM 0 HE3 MET A 9 -4.429 4.222 12.942 1.00 0.00 H new ATOM 97 N LEU A 10 -5.102 3.526 8.530 1.00 0.00 N ATOM 98 CA LEU A 10 -5.049 2.075 8.516 1.00 0.00 C ATOM 99 C LEU A 10 -3.611 1.619 8.769 1.00 0.00 C ATOM 100 O LEU A 10 -2.663 2.317 8.413 1.00 0.00 O ATOM 101 CB LEU A 10 -5.648 1.529 7.218 1.00 0.00 C ATOM 102 CG LEU A 10 -7.174 1.439 7.169 1.00 0.00 C ATOM 103 CD1 LEU A 10 -7.638 0.638 5.951 1.00 0.00 C ATOM 104 CD2 LEU A 10 -7.732 0.871 8.475 1.00 0.00 C ATOM 0 H LEU A 10 -4.398 3.984 7.952 1.00 0.00 H new ATOM 0 HA LEU A 10 -5.660 1.664 9.319 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -5.315 2.160 6.394 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -5.239 0.534 7.043 1.00 0.00 H new ATOM 0 HG LEU A 10 -7.572 2.448 7.061 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -8.727 0.590 5.941 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -7.288 1.124 5.041 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -7.230 -0.372 6.003 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -8.819 0.818 8.414 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -7.328 -0.128 8.639 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -7.447 1.518 9.304 1.00 0.00 H new ATOM 116 N ARG A 11 -3.493 0.450 9.382 1.00 0.00 N ATOM 117 CA ARG A 11 -2.186 -0.107 9.687 1.00 0.00 C ATOM 118 C ARG A 11 -1.889 -1.295 8.770 1.00 0.00 C ATOM 119 O ARG A 11 -2.391 -2.396 8.990 1.00 0.00 O ATOM 120 CB ARG A 11 -2.109 -0.566 11.145 1.00 0.00 C ATOM 121 CG ARG A 11 -1.175 0.335 11.954 1.00 0.00 C ATOM 122 CD ARG A 11 -0.907 -0.256 13.340 1.00 0.00 C ATOM 123 NE ARG A 11 -0.385 0.791 14.245 1.00 0.00 N ATOM 124 CZ ARG A 11 0.327 0.541 15.353 1.00 0.00 C ATOM 125 NH1 ARG A 11 0.605 -0.724 15.698 1.00 0.00 N ATOM 126 NH2 ARG A 11 0.760 1.554 16.114 1.00 0.00 N ATOM 0 H ARG A 11 -4.281 -0.127 9.676 1.00 0.00 H new ATOM 0 HA ARG A 11 -1.446 0.676 9.525 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -3.105 -0.554 11.587 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -1.754 -1.596 11.188 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -0.233 0.461 11.420 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -1.618 1.326 12.057 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -1.826 -0.676 13.749 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -0.189 -1.073 13.263 1.00 0.00 H new ATOM 0 HE ARG A 11 -0.579 1.765 14.011 1.00 0.00 H new ATOM 0 HH11 ARG A 11 0.275 -1.495 15.118 1.00 0.00 H new ATOM 0 HH12 ARG A 11 1.147 -0.915 16.541 1.00 0.00 H new ATOM 0 HH21 ARG A 11 0.548 2.516 15.851 1.00 0.00 H new ATOM 0 HH22 ARG A 11 1.302 1.363 16.957 1.00 0.00 H new ATOM 140 N VAL A 12 -1.072 -1.032 7.760 1.00 0.00 N ATOM 141 CA VAL A 12 -0.702 -2.065 6.808 1.00 0.00 C ATOM 142 C VAL A 12 0.572 -2.762 7.289 1.00 0.00 C ATOM 143 O VAL A 12 1.358 -2.182 8.037 1.00 0.00 O ATOM 144 CB VAL A 12 -0.561 -1.462 5.409 1.00 0.00 C ATOM 145 CG1 VAL A 12 -1.700 -0.483 5.116 1.00 0.00 C ATOM 146 CG2 VAL A 12 0.801 -0.785 5.238 1.00 0.00 C ATOM 0 H VAL A 12 -0.656 -0.118 7.581 1.00 0.00 H new ATOM 0 HA VAL A 12 -1.483 -2.822 6.743 1.00 0.00 H new ATOM 0 HB VAL A 12 -0.624 -2.275 4.686 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -1.576 -0.069 4.115 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -2.654 -1.006 5.176 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -1.683 0.325 5.848 1.00 0.00 H new ATOM 0 HG21 VAL A 12 0.875 -0.365 4.235 1.00 0.00 H new ATOM 0 HG22 VAL A 12 0.906 0.012 5.974 1.00 0.00 H new ATOM 0 HG23 VAL A 12 1.593 -1.520 5.383 1.00 0.00 H new ATOM 156 N ARG A 13 0.738 -3.998 6.841 1.00 0.00 N ATOM 157 CA ARG A 13 1.903 -4.781 7.217 1.00 0.00 C ATOM 158 C ARG A 13 2.688 -5.196 5.971 1.00 0.00 C ATOM 159 O ARG A 13 2.137 -5.818 5.064 1.00 0.00 O ATOM 160 CB ARG A 13 1.497 -6.034 7.996 1.00 0.00 C ATOM 161 CG ARG A 13 2.724 -6.868 8.371 1.00 0.00 C ATOM 162 CD ARG A 13 3.119 -6.635 9.830 1.00 0.00 C ATOM 163 NE ARG A 13 3.252 -7.932 10.531 1.00 0.00 N ATOM 164 CZ ARG A 13 3.506 -8.055 11.841 1.00 0.00 C ATOM 165 NH1 ARG A 13 3.656 -6.961 12.600 1.00 0.00 N ATOM 166 NH2 ARG A 13 3.611 -9.272 12.392 1.00 0.00 N ATOM 0 H ARG A 13 0.085 -4.477 6.221 1.00 0.00 H new ATOM 0 HA ARG A 13 2.529 -4.158 7.855 1.00 0.00 H new ATOM 0 HB2 ARG A 13 0.958 -5.747 8.899 1.00 0.00 H new ATOM 0 HB3 ARG A 13 0.814 -6.635 7.395 1.00 0.00 H new ATOM 0 HG2 ARG A 13 2.512 -7.925 8.212 1.00 0.00 H new ATOM 0 HG3 ARG A 13 3.558 -6.609 7.719 1.00 0.00 H new ATOM 0 HD2 ARG A 13 4.061 -6.088 9.878 1.00 0.00 H new ATOM 0 HD3 ARG A 13 2.368 -6.020 10.325 1.00 0.00 H new ATOM 0 HE ARG A 13 3.144 -8.785 9.983 1.00 0.00 H new ATOM 0 HH11 ARG A 13 3.577 -6.035 12.181 1.00 0.00 H new ATOM 0 HH12 ARG A 13 3.849 -7.055 13.597 1.00 0.00 H new ATOM 0 HH21 ARG A 13 3.498 -10.105 11.814 1.00 0.00 H new ATOM 0 HH22 ARG A 13 3.804 -9.365 13.389 1.00 0.00 H new ATOM 180 N SER A 14 3.963 -4.834 5.966 1.00 0.00 N ATOM 181 CA SER A 14 4.829 -5.161 4.846 1.00 0.00 C ATOM 182 C SER A 14 6.009 -6.009 5.327 1.00 0.00 C ATOM 183 O SER A 14 6.300 -6.052 6.522 1.00 0.00 O ATOM 184 CB SER A 14 5.334 -3.895 4.152 1.00 0.00 C ATOM 185 OG SER A 14 5.827 -2.936 5.084 1.00 0.00 O ATOM 0 H SER A 14 4.417 -4.318 6.720 1.00 0.00 H new ATOM 0 HA SER A 14 4.249 -5.733 4.122 1.00 0.00 H new ATOM 0 HB2 SER A 14 6.125 -4.158 3.449 1.00 0.00 H new ATOM 0 HB3 SER A 14 4.525 -3.453 3.571 1.00 0.00 H new ATOM 0 HG SER A 14 5.965 -2.079 4.629 1.00 0.00 H new ATOM 191 N ARG A 15 6.655 -6.661 4.373 1.00 0.00 N ATOM 192 CA ARG A 15 7.797 -7.505 4.684 1.00 0.00 C ATOM 193 C ARG A 15 8.794 -6.746 5.562 1.00 0.00 C ATOM 194 O ARG A 15 9.348 -7.308 6.506 1.00 0.00 O ATOM 195 CB ARG A 15 8.502 -7.970 3.408 1.00 0.00 C ATOM 196 CG ARG A 15 8.877 -6.779 2.524 1.00 0.00 C ATOM 197 CD ARG A 15 9.472 -7.249 1.195 1.00 0.00 C ATOM 198 NE ARG A 15 10.799 -7.864 1.424 1.00 0.00 N ATOM 199 CZ ARG A 15 11.657 -8.186 0.446 1.00 0.00 C ATOM 200 NH1 ARG A 15 11.332 -7.953 -0.833 1.00 0.00 N ATOM 201 NH2 ARG A 15 12.839 -8.741 0.747 1.00 0.00 N ATOM 0 H ARG A 15 6.410 -6.623 3.384 1.00 0.00 H new ATOM 0 HA ARG A 15 7.427 -8.379 5.220 1.00 0.00 H new ATOM 0 HB2 ARG A 15 9.399 -8.531 3.668 1.00 0.00 H new ATOM 0 HB3 ARG A 15 7.851 -8.647 2.855 1.00 0.00 H new ATOM 0 HG2 ARG A 15 7.994 -6.169 2.336 1.00 0.00 H new ATOM 0 HG3 ARG A 15 9.596 -6.147 3.045 1.00 0.00 H new ATOM 0 HD2 ARG A 15 8.804 -7.970 0.723 1.00 0.00 H new ATOM 0 HD3 ARG A 15 9.566 -6.406 0.511 1.00 0.00 H new ATOM 0 HE ARG A 15 11.078 -8.055 2.386 1.00 0.00 H new ATOM 0 HH11 ARG A 15 10.432 -7.531 -1.062 1.00 0.00 H new ATOM 0 HH12 ARG A 15 11.985 -8.198 -1.578 1.00 0.00 H new ATOM 0 HH21 ARG A 15 13.086 -8.919 1.721 1.00 0.00 H new ATOM 0 HH22 ARG A 15 13.492 -8.986 0.002 1.00 0.00 H new ATOM 215 N ASP A 16 8.992 -5.481 5.220 1.00 0.00 N ATOM 216 CA ASP A 16 9.912 -4.640 5.966 1.00 0.00 C ATOM 217 C ASP A 16 9.429 -4.519 7.413 1.00 0.00 C ATOM 218 O ASP A 16 10.222 -4.626 8.347 1.00 0.00 O ATOM 219 CB ASP A 16 9.977 -3.232 5.370 1.00 0.00 C ATOM 220 CG ASP A 16 11.178 -2.396 5.817 1.00 0.00 C ATOM 221 OD1 ASP A 16 12.191 -3.019 6.203 1.00 0.00 O ATOM 222 OD2 ASP A 16 11.057 -1.153 5.761 1.00 0.00 O ATOM 0 H ASP A 16 8.531 -5.019 4.436 1.00 0.00 H new ATOM 0 HA ASP A 16 10.900 -5.098 5.920 1.00 0.00 H new ATOM 0 HB2 ASP A 16 9.995 -3.314 4.283 1.00 0.00 H new ATOM 0 HB3 ASP A 16 9.064 -2.699 5.635 1.00 0.00 H new ATOM 227 N GLY A 17 8.130 -4.299 7.552 1.00 0.00 N ATOM 228 CA GLY A 17 7.531 -4.163 8.869 1.00 0.00 C ATOM 229 C GLY A 17 6.050 -3.796 8.763 1.00 0.00 C ATOM 230 O GLY A 17 5.296 -4.444 8.038 1.00 0.00 O ATOM 0 H GLY A 17 7.476 -4.212 6.775 1.00 0.00 H new ATOM 0 HA2 GLY A 17 7.639 -5.097 9.420 1.00 0.00 H new ATOM 0 HA3 GLY A 17 8.060 -3.396 9.435 1.00 0.00 H new ATOM 234 N LEU A 18 5.676 -2.757 9.495 1.00 0.00 N ATOM 235 CA LEU A 18 4.298 -2.296 9.493 1.00 0.00 C ATOM 236 C LEU A 18 4.260 -0.819 9.095 1.00 0.00 C ATOM 237 O LEU A 18 5.012 -0.008 9.634 1.00 0.00 O ATOM 238 CB LEU A 18 3.633 -2.587 10.839 1.00 0.00 C ATOM 239 CG LEU A 18 2.342 -1.819 11.129 1.00 0.00 C ATOM 240 CD1 LEU A 18 1.116 -2.618 10.681 1.00 0.00 C ATOM 241 CD2 LEU A 18 2.260 -1.423 12.605 1.00 0.00 C ATOM 0 H LEU A 18 6.304 -2.221 10.094 1.00 0.00 H new ATOM 0 HA LEU A 18 3.715 -2.842 8.751 1.00 0.00 H new ATOM 0 HB2 LEU A 18 3.417 -3.654 10.892 1.00 0.00 H new ATOM 0 HB3 LEU A 18 4.349 -2.367 11.631 1.00 0.00 H new ATOM 0 HG LEU A 18 2.355 -0.897 10.548 1.00 0.00 H new ATOM 0 HD11 LEU A 18 0.212 -2.050 10.899 1.00 0.00 H new ATOM 0 HD12 LEU A 18 1.177 -2.807 9.609 1.00 0.00 H new ATOM 0 HD13 LEU A 18 1.085 -3.567 11.216 1.00 0.00 H new ATOM 0 HD21 LEU A 18 1.333 -0.878 12.785 1.00 0.00 H new ATOM 0 HD22 LEU A 18 2.280 -2.320 13.224 1.00 0.00 H new ATOM 0 HD23 LEU A 18 3.109 -0.788 12.859 1.00 0.00 H new ATOM 253 N GLU A 19 3.377 -0.514 8.156 1.00 0.00 N ATOM 254 CA GLU A 19 3.231 0.851 7.680 1.00 0.00 C ATOM 255 C GLU A 19 1.785 1.321 7.852 1.00 0.00 C ATOM 256 O GLU A 19 0.874 0.505 7.976 1.00 0.00 O ATOM 257 CB GLU A 19 3.678 0.974 6.221 1.00 0.00 C ATOM 258 CG GLU A 19 5.202 1.067 6.121 1.00 0.00 C ATOM 259 CD GLU A 19 5.673 0.812 4.688 1.00 0.00 C ATOM 260 OE1 GLU A 19 5.132 1.485 3.784 1.00 0.00 O ATOM 261 OE2 GLU A 19 6.563 -0.051 4.528 1.00 0.00 O ATOM 0 H GLU A 19 2.755 -1.189 7.712 1.00 0.00 H new ATOM 0 HA GLU A 19 3.876 1.495 8.278 1.00 0.00 H new ATOM 0 HB2 GLU A 19 3.325 0.112 5.655 1.00 0.00 H new ATOM 0 HB3 GLU A 19 3.226 1.858 5.772 1.00 0.00 H new ATOM 0 HG2 GLU A 19 5.532 2.054 6.446 1.00 0.00 H new ATOM 0 HG3 GLU A 19 5.659 0.341 6.793 1.00 0.00 H new ATOM 268 N ARG A 20 1.621 2.636 7.853 1.00 0.00 N ATOM 269 CA ARG A 20 0.302 3.225 8.008 1.00 0.00 C ATOM 270 C ARG A 20 0.043 4.246 6.899 1.00 0.00 C ATOM 271 O ARG A 20 0.972 4.889 6.412 1.00 0.00 O ATOM 272 CB ARG A 20 0.161 3.912 9.368 1.00 0.00 C ATOM 273 CG ARG A 20 1.208 5.016 9.535 1.00 0.00 C ATOM 274 CD ARG A 20 0.635 6.201 10.316 1.00 0.00 C ATOM 275 NE ARG A 20 0.947 7.467 9.615 1.00 0.00 N ATOM 276 CZ ARG A 20 2.171 8.009 9.552 1.00 0.00 C ATOM 277 NH1 ARG A 20 3.205 7.399 10.147 1.00 0.00 N ATOM 278 NH2 ARG A 20 2.361 9.161 8.895 1.00 0.00 N ATOM 0 H ARG A 20 2.380 3.310 7.749 1.00 0.00 H new ATOM 0 HA ARG A 20 -0.430 2.420 7.943 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -0.839 4.336 9.463 1.00 0.00 H new ATOM 0 HB3 ARG A 20 0.273 3.176 10.165 1.00 0.00 H new ATOM 0 HG2 ARG A 20 2.080 4.620 10.056 1.00 0.00 H new ATOM 0 HG3 ARG A 20 1.547 5.352 8.555 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -0.444 6.090 10.421 1.00 0.00 H new ATOM 0 HD3 ARG A 20 1.053 6.220 11.322 1.00 0.00 H new ATOM 0 HE ARG A 20 0.182 7.957 9.151 1.00 0.00 H new ATOM 0 HH11 ARG A 20 3.060 6.522 10.648 1.00 0.00 H new ATOM 0 HH12 ARG A 20 4.137 7.811 10.099 1.00 0.00 H new ATOM 0 HH21 ARG A 20 1.574 9.626 8.443 1.00 0.00 H new ATOM 0 HH22 ARG A 20 3.293 9.573 8.847 1.00 0.00 H new ATOM 292 N VAL A 21 -1.225 4.365 6.531 1.00 0.00 N ATOM 293 CA VAL A 21 -1.618 5.297 5.489 1.00 0.00 C ATOM 294 C VAL A 21 -2.969 5.918 5.848 1.00 0.00 C ATOM 295 O VAL A 21 -3.747 5.329 6.597 1.00 0.00 O ATOM 296 CB VAL A 21 -1.626 4.591 4.131 1.00 0.00 C ATOM 297 CG1 VAL A 21 -2.369 5.424 3.084 1.00 0.00 C ATOM 298 CG2 VAL A 21 -0.202 4.274 3.670 1.00 0.00 C ATOM 0 H VAL A 21 -1.993 3.831 6.937 1.00 0.00 H new ATOM 0 HA VAL A 21 -0.897 6.111 5.413 1.00 0.00 H new ATOM 0 HB VAL A 21 -2.159 3.647 4.247 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -2.360 4.900 2.128 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -3.400 5.576 3.405 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -1.877 6.390 2.972 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -0.236 3.773 2.703 1.00 0.00 H new ATOM 0 HG22 VAL A 21 0.366 5.200 3.579 1.00 0.00 H new ATOM 0 HG23 VAL A 21 0.280 3.623 4.399 1.00 0.00 H new ATOM 308 N SER A 22 -3.207 7.099 5.297 1.00 0.00 N ATOM 309 CA SER A 22 -4.451 7.805 5.550 1.00 0.00 C ATOM 310 C SER A 22 -5.423 7.587 4.388 1.00 0.00 C ATOM 311 O SER A 22 -5.037 7.689 3.224 1.00 0.00 O ATOM 312 CB SER A 22 -4.203 9.300 5.760 1.00 0.00 C ATOM 313 OG SER A 22 -5.336 9.956 6.322 1.00 0.00 O ATOM 0 H SER A 22 -2.559 7.585 4.676 1.00 0.00 H new ATOM 0 HA SER A 22 -4.891 7.405 6.463 1.00 0.00 H new ATOM 0 HB2 SER A 22 -3.343 9.436 6.416 1.00 0.00 H new ATOM 0 HB3 SER A 22 -3.952 9.763 4.806 1.00 0.00 H new ATOM 0 HG SER A 22 -5.137 10.908 6.442 1.00 0.00 H new ATOM 319 N VAL A 23 -6.664 7.291 4.744 1.00 0.00 N ATOM 320 CA VAL A 23 -7.693 7.058 3.745 1.00 0.00 C ATOM 321 C VAL A 23 -8.872 7.999 4.004 1.00 0.00 C ATOM 322 O VAL A 23 -8.751 8.955 4.768 1.00 0.00 O ATOM 323 CB VAL A 23 -8.096 5.582 3.744 1.00 0.00 C ATOM 324 CG1 VAL A 23 -6.876 4.681 3.543 1.00 0.00 C ATOM 325 CG2 VAL A 23 -8.843 5.216 5.028 1.00 0.00 C ATOM 0 H VAL A 23 -6.980 7.207 5.710 1.00 0.00 H new ATOM 0 HA VAL A 23 -7.314 7.279 2.747 1.00 0.00 H new ATOM 0 HB VAL A 23 -8.774 5.420 2.906 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -7.190 3.637 3.546 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -6.404 4.915 2.589 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -6.163 4.848 4.351 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -9.118 4.162 5.001 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -8.200 5.402 5.888 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -9.744 5.824 5.111 1.00 0.00 H new ATOM 335 N ASP A 24 -9.985 7.695 3.353 1.00 0.00 N ATOM 336 CA ASP A 24 -11.184 8.502 3.503 1.00 0.00 C ATOM 337 C ASP A 24 -12.174 7.772 4.412 1.00 0.00 C ATOM 338 O ASP A 24 -12.477 8.240 5.508 1.00 0.00 O ATOM 339 CB ASP A 24 -11.864 8.734 2.152 1.00 0.00 C ATOM 340 CG ASP A 24 -10.933 8.674 0.940 1.00 0.00 C ATOM 341 OD1 ASP A 24 -10.642 7.540 0.503 1.00 0.00 O ATOM 342 OD2 ASP A 24 -10.533 9.765 0.478 1.00 0.00 O ATOM 0 H ASP A 24 -10.082 6.901 2.720 1.00 0.00 H new ATOM 0 HA ASP A 24 -10.894 9.462 3.930 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -12.649 7.989 2.025 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -12.350 9.709 2.170 1.00 0.00 H new ATOM 347 N GLY A 25 -12.651 6.636 3.923 1.00 0.00 N ATOM 348 CA GLY A 25 -13.601 5.837 4.678 1.00 0.00 C ATOM 349 C GLY A 25 -13.924 4.533 3.945 1.00 0.00 C ATOM 350 O GLY A 25 -13.190 4.122 3.048 1.00 0.00 O ATOM 0 H GLY A 25 -12.397 6.250 3.013 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -13.192 5.613 5.663 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -14.517 6.407 4.835 1.00 0.00 H new ATOM 354 N PRO A 26 -15.054 3.902 4.366 1.00 0.00 N ATOM 355 CA PRO A 26 -15.483 2.654 3.759 1.00 0.00 C ATOM 356 C PRO A 26 -16.092 2.896 2.377 1.00 0.00 C ATOM 357 O PRO A 26 -16.098 2.003 1.532 1.00 0.00 O ATOM 358 CB PRO A 26 -16.472 2.057 4.747 1.00 0.00 C ATOM 359 CG PRO A 26 -16.911 3.204 5.643 1.00 0.00 C ATOM 360 CD PRO A 26 -15.948 4.360 5.425 1.00 0.00 C ATOM 0 HA PRO A 26 -14.655 1.968 3.579 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -17.325 1.618 4.229 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -16.009 1.261 5.330 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -17.931 3.506 5.404 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -16.907 2.895 6.688 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -16.477 5.267 5.132 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -15.396 4.593 6.336 1.00 0.00 H new ATOM 368 N HIS A 27 -16.589 4.110 2.189 1.00 0.00 N ATOM 369 CA HIS A 27 -17.199 4.482 0.924 1.00 0.00 C ATOM 370 C HIS A 27 -16.203 4.249 -0.214 1.00 0.00 C ATOM 371 O HIS A 27 -16.591 4.174 -1.379 1.00 0.00 O ATOM 372 CB HIS A 27 -17.718 5.920 0.972 1.00 0.00 C ATOM 373 CG HIS A 27 -16.751 6.901 1.590 1.00 0.00 C ATOM 374 ND1 HIS A 27 -17.024 8.254 1.702 1.00 0.00 N ATOM 375 CD2 HIS A 27 -15.512 6.713 2.129 1.00 0.00 C ATOM 376 CE1 HIS A 27 -15.989 8.843 2.282 1.00 0.00 C ATOM 377 NE2 HIS A 27 -15.053 7.886 2.545 1.00 0.00 N ATOM 0 H HIS A 27 -16.582 4.849 2.892 1.00 0.00 H new ATOM 0 HA HIS A 27 -18.067 3.851 0.736 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -17.951 6.245 -0.042 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -18.651 5.940 1.536 1.00 0.00 H new ATOM 0 HD1 HIS A 27 -17.877 8.718 1.391 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -14.993 5.769 2.204 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -15.902 9.896 2.507 1.00 0.00 H new ATOM 385 N ILE A 28 -14.937 4.141 0.164 1.00 0.00 N ATOM 386 CA ILE A 28 -13.882 3.918 -0.810 1.00 0.00 C ATOM 387 C ILE A 28 -13.696 2.414 -1.019 1.00 0.00 C ATOM 388 O ILE A 28 -13.956 1.621 -0.115 1.00 0.00 O ATOM 389 CB ILE A 28 -12.603 4.644 -0.389 1.00 0.00 C ATOM 390 CG1 ILE A 28 -11.902 3.903 0.751 1.00 0.00 C ATOM 391 CG2 ILE A 28 -12.892 6.103 -0.033 1.00 0.00 C ATOM 392 CD1 ILE A 28 -10.622 3.223 0.259 1.00 0.00 C ATOM 0 H ILE A 28 -14.619 4.204 1.131 1.00 0.00 H new ATOM 0 HA ILE A 28 -14.158 4.342 -1.775 1.00 0.00 H new ATOM 0 HB ILE A 28 -11.919 4.650 -1.237 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -11.661 4.603 1.551 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -12.575 3.157 1.173 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -11.966 6.596 0.263 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -13.313 6.612 -0.900 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -13.603 6.142 0.792 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -10.144 2.704 1.089 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -10.869 2.506 -0.524 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -9.941 3.975 -0.140 1.00 0.00 H new ATOM 404 N THR A 29 -13.247 2.066 -2.216 1.00 0.00 N ATOM 405 CA THR A 29 -13.022 0.671 -2.554 1.00 0.00 C ATOM 406 C THR A 29 -11.526 0.351 -2.534 1.00 0.00 C ATOM 407 O THR A 29 -10.697 1.252 -2.423 1.00 0.00 O ATOM 408 CB THR A 29 -13.683 0.401 -3.908 1.00 0.00 C ATOM 409 OG1 THR A 29 -13.051 1.322 -4.793 1.00 0.00 O ATOM 410 CG2 THR A 29 -15.156 0.812 -3.933 1.00 0.00 C ATOM 0 H THR A 29 -13.033 2.726 -2.964 1.00 0.00 H new ATOM 0 HA THR A 29 -13.474 0.008 -1.816 1.00 0.00 H new ATOM 0 HB THR A 29 -13.598 -0.659 -4.148 1.00 0.00 H new ATOM 0 HG1 THR A 29 -13.419 1.214 -5.695 1.00 0.00 H new ATOM 0 HG21 THR A 29 -15.576 0.599 -4.916 1.00 0.00 H new ATOM 0 HG22 THR A 29 -15.703 0.251 -3.175 1.00 0.00 H new ATOM 0 HG23 THR A 29 -15.240 1.879 -3.726 1.00 0.00 H new ATOM 418 N VAL A 30 -11.227 -0.936 -2.642 1.00 0.00 N ATOM 419 CA VAL A 30 -9.846 -1.386 -2.637 1.00 0.00 C ATOM 420 C VAL A 30 -9.054 -0.598 -3.683 1.00 0.00 C ATOM 421 O VAL A 30 -7.904 -0.231 -3.448 1.00 0.00 O ATOM 422 CB VAL A 30 -9.788 -2.899 -2.857 1.00 0.00 C ATOM 423 CG1 VAL A 30 -8.350 -3.363 -3.096 1.00 0.00 C ATOM 424 CG2 VAL A 30 -10.419 -3.649 -1.683 1.00 0.00 C ATOM 0 H VAL A 30 -11.918 -1.681 -2.733 1.00 0.00 H new ATOM 0 HA VAL A 30 -9.385 -1.194 -1.668 1.00 0.00 H new ATOM 0 HB VAL A 30 -10.367 -3.130 -3.751 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -8.337 -4.442 -3.249 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -7.949 -2.866 -3.979 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -7.738 -3.112 -2.230 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -10.364 -4.722 -1.865 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -9.881 -3.409 -0.766 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -11.462 -3.351 -1.580 1.00 0.00 H new ATOM 434 N SER A 31 -9.701 -0.362 -4.814 1.00 0.00 N ATOM 435 CA SER A 31 -9.071 0.375 -5.897 1.00 0.00 C ATOM 436 C SER A 31 -8.564 1.725 -5.385 1.00 0.00 C ATOM 437 O SER A 31 -7.457 2.143 -5.719 1.00 0.00 O ATOM 438 CB SER A 31 -10.042 0.579 -7.062 1.00 0.00 C ATOM 439 OG SER A 31 -9.859 1.843 -7.693 1.00 0.00 O ATOM 0 H SER A 31 -10.655 -0.668 -5.005 1.00 0.00 H new ATOM 0 HA SER A 31 -8.226 -0.208 -6.262 1.00 0.00 H new ATOM 0 HB2 SER A 31 -9.902 -0.216 -7.795 1.00 0.00 H new ATOM 0 HB3 SER A 31 -11.067 0.500 -6.698 1.00 0.00 H new ATOM 0 HG SER A 31 -10.496 1.935 -8.432 1.00 0.00 H new ATOM 445 N GLN A 32 -9.399 2.369 -4.583 1.00 0.00 N ATOM 446 CA GLN A 32 -9.050 3.663 -4.022 1.00 0.00 C ATOM 447 C GLN A 32 -7.974 3.502 -2.946 1.00 0.00 C ATOM 448 O GLN A 32 -7.127 4.377 -2.774 1.00 0.00 O ATOM 449 CB GLN A 32 -10.286 4.369 -3.461 1.00 0.00 C ATOM 450 CG GLN A 32 -11.286 4.691 -4.573 1.00 0.00 C ATOM 451 CD GLN A 32 -11.951 6.048 -4.336 1.00 0.00 C ATOM 452 OE1 GLN A 32 -11.359 7.099 -4.521 1.00 0.00 O ATOM 453 NE2 GLN A 32 -13.211 5.968 -3.918 1.00 0.00 N ATOM 0 H GLN A 32 -10.317 2.019 -4.308 1.00 0.00 H new ATOM 0 HA GLN A 32 -8.647 4.287 -4.820 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -10.762 3.736 -2.711 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -9.987 5.289 -2.958 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -10.775 4.695 -5.536 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -12.047 3.912 -4.619 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -13.647 5.056 -3.783 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -13.742 6.819 -3.732 1.00 0.00 H new ATOM 462 N LEU A 33 -8.043 2.377 -2.250 1.00 0.00 N ATOM 463 CA LEU A 33 -7.085 2.090 -1.195 1.00 0.00 C ATOM 464 C LEU A 33 -5.694 1.917 -1.809 1.00 0.00 C ATOM 465 O LEU A 33 -4.839 2.790 -1.672 1.00 0.00 O ATOM 466 CB LEU A 33 -7.545 0.889 -0.366 1.00 0.00 C ATOM 467 CG LEU A 33 -7.049 0.843 1.080 1.00 0.00 C ATOM 468 CD1 LEU A 33 -7.705 -0.305 1.849 1.00 0.00 C ATOM 469 CD2 LEU A 33 -5.521 0.770 1.134 1.00 0.00 C ATOM 0 H LEU A 33 -8.747 1.653 -2.396 1.00 0.00 H new ATOM 0 HA LEU A 33 -7.025 2.925 -0.497 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -8.635 0.876 -0.356 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -7.220 -0.021 -0.870 1.00 0.00 H new ATOM 0 HG LEU A 33 -7.345 1.770 1.572 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -7.335 -0.315 2.874 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -8.786 -0.168 1.855 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -7.462 -1.252 1.366 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -5.195 0.738 2.174 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -5.181 -0.129 0.620 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -5.097 1.649 0.647 1.00 0.00 H new ATOM 481 N LYS A 34 -5.511 0.784 -2.471 1.00 0.00 N ATOM 482 CA LYS A 34 -4.239 0.486 -3.106 1.00 0.00 C ATOM 483 C LYS A 34 -3.685 1.758 -3.752 1.00 0.00 C ATOM 484 O LYS A 34 -2.497 2.053 -3.631 1.00 0.00 O ATOM 485 CB LYS A 34 -4.387 -0.684 -4.081 1.00 0.00 C ATOM 486 CG LYS A 34 -4.131 -2.019 -3.378 1.00 0.00 C ATOM 487 CD LYS A 34 -5.318 -2.968 -3.553 1.00 0.00 C ATOM 488 CE LYS A 34 -4.866 -4.428 -3.492 1.00 0.00 C ATOM 489 NZ LYS A 34 -5.774 -5.285 -4.288 1.00 0.00 N ATOM 0 H LYS A 34 -6.223 0.062 -2.581 1.00 0.00 H new ATOM 0 HA LYS A 34 -3.510 0.162 -2.363 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -5.389 -0.681 -4.509 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -3.687 -0.564 -4.908 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -3.230 -2.480 -3.782 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -3.952 -1.847 -2.317 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -6.057 -2.779 -2.774 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -5.805 -2.774 -4.508 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -3.848 -4.516 -3.871 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -4.851 -4.767 -2.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -5.213 -5.954 -4.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -6.402 -5.813 -3.649 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -6.345 -4.691 -4.922 1.00 0.00 H new ATOM 503 N THR A 35 -4.573 2.477 -4.423 1.00 0.00 N ATOM 504 CA THR A 35 -4.188 3.710 -5.088 1.00 0.00 C ATOM 505 C THR A 35 -3.531 4.670 -4.093 1.00 0.00 C ATOM 506 O THR A 35 -2.469 5.225 -4.370 1.00 0.00 O ATOM 507 CB THR A 35 -5.432 4.291 -5.763 1.00 0.00 C ATOM 508 OG1 THR A 35 -5.513 3.592 -7.002 1.00 0.00 O ATOM 509 CG2 THR A 35 -5.246 5.754 -6.172 1.00 0.00 C ATOM 0 H THR A 35 -5.558 2.229 -4.520 1.00 0.00 H new ATOM 0 HA THR A 35 -3.438 3.527 -5.858 1.00 0.00 H new ATOM 0 HB THR A 35 -6.284 4.208 -5.088 1.00 0.00 H new ATOM 0 HG1 THR A 35 -6.183 2.880 -6.933 1.00 0.00 H new ATOM 0 HG21 THR A 35 -6.157 6.118 -6.646 1.00 0.00 H new ATOM 0 HG22 THR A 35 -5.032 6.355 -5.288 1.00 0.00 H new ATOM 0 HG23 THR A 35 -4.416 5.833 -6.874 1.00 0.00 H new ATOM 517 N LEU A 36 -4.192 4.836 -2.957 1.00 0.00 N ATOM 518 CA LEU A 36 -3.686 5.719 -1.920 1.00 0.00 C ATOM 519 C LEU A 36 -2.288 5.259 -1.502 1.00 0.00 C ATOM 520 O LEU A 36 -1.323 6.015 -1.609 1.00 0.00 O ATOM 521 CB LEU A 36 -4.678 5.805 -0.758 1.00 0.00 C ATOM 522 CG LEU A 36 -5.716 6.925 -0.844 1.00 0.00 C ATOM 523 CD1 LEU A 36 -6.782 6.770 0.242 1.00 0.00 C ATOM 524 CD2 LEU A 36 -5.044 8.299 -0.795 1.00 0.00 C ATOM 0 H LEU A 36 -5.073 4.374 -2.732 1.00 0.00 H new ATOM 0 HA LEU A 36 -3.587 6.736 -2.300 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -5.205 4.853 -0.685 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -4.114 5.929 0.167 1.00 0.00 H new ATOM 0 HG LEU A 36 -6.223 6.848 -1.806 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -7.507 7.579 0.158 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -7.290 5.813 0.119 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -6.309 6.807 1.224 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -5.804 9.078 -0.858 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -4.495 8.402 0.141 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -4.354 8.397 -1.633 1.00 0.00 H new ATOM 536 N ILE A 37 -2.222 4.021 -1.033 1.00 0.00 N ATOM 537 CA ILE A 37 -0.958 3.452 -0.599 1.00 0.00 C ATOM 538 C ILE A 37 0.024 3.446 -1.772 1.00 0.00 C ATOM 539 O ILE A 37 1.235 3.532 -1.573 1.00 0.00 O ATOM 540 CB ILE A 37 -1.178 2.072 0.026 1.00 0.00 C ATOM 541 CG1 ILE A 37 -1.398 2.183 1.536 1.00 0.00 C ATOM 542 CG2 ILE A 37 -0.027 1.124 -0.318 1.00 0.00 C ATOM 543 CD1 ILE A 37 -2.755 1.599 1.936 1.00 0.00 C ATOM 0 H ILE A 37 -3.024 3.397 -0.944 1.00 0.00 H new ATOM 0 HA ILE A 37 -0.514 4.065 0.185 1.00 0.00 H new ATOM 0 HB ILE A 37 -2.085 1.644 -0.401 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -0.602 1.657 2.063 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -1.344 3.229 1.839 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -0.208 0.151 0.138 1.00 0.00 H new ATOM 0 HG22 ILE A 37 0.040 1.011 -1.400 1.00 0.00 H new ATOM 0 HG23 ILE A 37 0.908 1.534 0.062 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -2.887 1.690 3.014 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -3.550 2.143 1.426 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -2.796 0.547 1.653 1.00 0.00 H new ATOM 555 N GLN A 38 -0.534 3.343 -2.969 1.00 0.00 N ATOM 556 CA GLN A 38 0.278 3.325 -4.174 1.00 0.00 C ATOM 557 C GLN A 38 0.901 4.701 -4.415 1.00 0.00 C ATOM 558 O GLN A 38 1.928 4.813 -5.083 1.00 0.00 O ATOM 559 CB GLN A 38 -0.546 2.876 -5.383 1.00 0.00 C ATOM 560 CG GLN A 38 0.164 3.229 -6.692 1.00 0.00 C ATOM 561 CD GLN A 38 -0.381 4.534 -7.277 1.00 0.00 C ATOM 562 OE1 GLN A 38 0.205 5.595 -7.148 1.00 0.00 O ATOM 563 NE2 GLN A 38 -1.534 4.395 -7.926 1.00 0.00 N ATOM 0 H GLN A 38 -1.539 3.271 -3.130 1.00 0.00 H new ATOM 0 HA GLN A 38 1.083 2.603 -4.036 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -0.713 1.800 -5.334 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -1.526 3.352 -5.357 1.00 0.00 H new ATOM 0 HG2 GLN A 38 1.235 3.325 -6.514 1.00 0.00 H new ATOM 0 HG3 GLN A 38 0.032 2.421 -7.411 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -1.972 3.476 -7.997 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -1.980 5.207 -8.353 1.00 0.00 H new ATOM 572 N ASP A 39 0.254 5.714 -3.857 1.00 0.00 N ATOM 573 CA ASP A 39 0.733 7.078 -4.003 1.00 0.00 C ATOM 574 C ASP A 39 1.621 7.433 -2.809 1.00 0.00 C ATOM 575 O ASP A 39 2.600 8.163 -2.955 1.00 0.00 O ATOM 576 CB ASP A 39 -0.432 8.070 -4.037 1.00 0.00 C ATOM 577 CG ASP A 39 -0.097 9.442 -4.624 1.00 0.00 C ATOM 578 OD1 ASP A 39 -0.174 9.561 -5.866 1.00 0.00 O ATOM 579 OD2 ASP A 39 0.229 10.340 -3.819 1.00 0.00 O ATOM 0 H ASP A 39 -0.597 5.617 -3.303 1.00 0.00 H new ATOM 0 HA ASP A 39 1.289 7.142 -4.938 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -1.245 7.633 -4.616 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -0.802 8.207 -3.021 1.00 0.00 H new ATOM 584 N GLN A 40 1.248 6.900 -1.655 1.00 0.00 N ATOM 585 CA GLN A 40 1.999 7.151 -0.437 1.00 0.00 C ATOM 586 C GLN A 40 3.193 6.199 -0.344 1.00 0.00 C ATOM 587 O GLN A 40 4.340 6.641 -0.285 1.00 0.00 O ATOM 588 CB GLN A 40 1.101 7.027 0.796 1.00 0.00 C ATOM 589 CG GLN A 40 0.258 8.288 0.990 1.00 0.00 C ATOM 590 CD GLN A 40 -0.702 8.131 2.171 1.00 0.00 C ATOM 591 OE1 GLN A 40 -0.308 7.843 3.289 1.00 0.00 O ATOM 592 NE2 GLN A 40 -1.979 8.334 1.862 1.00 0.00 N ATOM 0 H GLN A 40 0.435 6.295 -1.538 1.00 0.00 H new ATOM 0 HA GLN A 40 2.376 8.173 -0.470 1.00 0.00 H new ATOM 0 HB2 GLN A 40 0.447 6.161 0.688 1.00 0.00 H new ATOM 0 HB3 GLN A 40 1.714 6.856 1.681 1.00 0.00 H new ATOM 0 HG2 GLN A 40 0.911 9.144 1.160 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -0.308 8.494 0.082 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -2.241 8.572 0.905 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -2.697 8.251 2.582 1.00 0.00 H new ATOM 601 N LEU A 41 2.883 4.911 -0.334 1.00 0.00 N ATOM 602 CA LEU A 41 3.917 3.894 -0.249 1.00 0.00 C ATOM 603 C LEU A 41 4.676 3.832 -1.576 1.00 0.00 C ATOM 604 O LEU A 41 5.723 3.192 -1.667 1.00 0.00 O ATOM 605 CB LEU A 41 3.315 2.553 0.179 1.00 0.00 C ATOM 606 CG LEU A 41 2.537 2.557 1.496 1.00 0.00 C ATOM 607 CD1 LEU A 41 2.328 1.132 2.013 1.00 0.00 C ATOM 608 CD2 LEU A 41 3.220 3.449 2.534 1.00 0.00 C ATOM 0 H LEU A 41 1.931 4.549 -0.383 1.00 0.00 H new ATOM 0 HA LEU A 41 4.643 4.152 0.522 1.00 0.00 H new ATOM 0 HB2 LEU A 41 2.650 2.207 -0.612 1.00 0.00 H new ATOM 0 HB3 LEU A 41 4.122 1.824 0.259 1.00 0.00 H new ATOM 0 HG LEU A 41 1.550 2.980 1.309 1.00 0.00 H new ATOM 0 HD11 LEU A 41 1.772 1.163 2.950 1.00 0.00 H new ATOM 0 HD12 LEU A 41 1.766 0.557 1.277 1.00 0.00 H new ATOM 0 HD13 LEU A 41 3.296 0.660 2.180 1.00 0.00 H new ATOM 0 HD21 LEU A 41 2.646 3.434 3.461 1.00 0.00 H new ATOM 0 HD22 LEU A 41 4.228 3.079 2.725 1.00 0.00 H new ATOM 0 HD23 LEU A 41 3.274 4.470 2.157 1.00 0.00 H new ATOM 620 N GLN A 42 4.119 4.505 -2.571 1.00 0.00 N ATOM 621 CA GLN A 42 4.730 4.535 -3.889 1.00 0.00 C ATOM 622 C GLN A 42 4.943 3.111 -4.408 1.00 0.00 C ATOM 623 O GLN A 42 6.070 2.715 -4.699 1.00 0.00 O ATOM 624 CB GLN A 42 6.048 5.312 -3.865 1.00 0.00 C ATOM 625 CG GLN A 42 5.796 6.815 -3.730 1.00 0.00 C ATOM 626 CD GLN A 42 5.050 7.358 -4.950 1.00 0.00 C ATOM 627 OE1 GLN A 42 5.057 6.777 -6.023 1.00 0.00 O ATOM 628 NE2 GLN A 42 4.407 8.501 -4.727 1.00 0.00 N ATOM 0 H GLN A 42 3.251 5.034 -2.491 1.00 0.00 H new ATOM 0 HA GLN A 42 4.054 5.052 -4.570 1.00 0.00 H new ATOM 0 HB2 GLN A 42 6.663 4.967 -3.034 1.00 0.00 H new ATOM 0 HB3 GLN A 42 6.608 5.114 -4.779 1.00 0.00 H new ATOM 0 HG2 GLN A 42 5.216 7.010 -2.828 1.00 0.00 H new ATOM 0 HG3 GLN A 42 6.746 7.338 -3.618 1.00 0.00 H new ATOM 0 HE21 GLN A 42 4.442 8.934 -3.804 1.00 0.00 H new ATOM 0 HE22 GLN A 42 3.879 8.944 -5.479 1.00 0.00 H new ATOM 637 N ILE A 43 3.841 2.382 -4.509 1.00 0.00 N ATOM 638 CA ILE A 43 3.892 1.011 -4.987 1.00 0.00 C ATOM 639 C ILE A 43 2.762 0.784 -5.994 1.00 0.00 C ATOM 640 O ILE A 43 1.658 1.298 -5.819 1.00 0.00 O ATOM 641 CB ILE A 43 3.875 0.032 -3.812 1.00 0.00 C ATOM 642 CG1 ILE A 43 5.030 0.311 -2.848 1.00 0.00 C ATOM 643 CG2 ILE A 43 3.876 -1.416 -4.305 1.00 0.00 C ATOM 644 CD1 ILE A 43 4.741 -0.270 -1.463 1.00 0.00 C ATOM 0 H ILE A 43 2.908 2.715 -4.268 1.00 0.00 H new ATOM 0 HA ILE A 43 4.829 0.826 -5.512 1.00 0.00 H new ATOM 0 HB ILE A 43 2.949 0.182 -3.256 1.00 0.00 H new ATOM 0 HG12 ILE A 43 5.950 -0.121 -3.243 1.00 0.00 H new ATOM 0 HG13 ILE A 43 5.191 1.386 -2.769 1.00 0.00 H new ATOM 0 HG21 ILE A 43 3.864 -2.092 -3.450 1.00 0.00 H new ATOM 0 HG22 ILE A 43 2.993 -1.592 -4.919 1.00 0.00 H new ATOM 0 HG23 ILE A 43 4.772 -1.598 -4.898 1.00 0.00 H new ATOM 0 HD11 ILE A 43 5.578 -0.058 -0.798 1.00 0.00 H new ATOM 0 HD12 ILE A 43 3.834 0.181 -1.061 1.00 0.00 H new ATOM 0 HD13 ILE A 43 4.605 -1.349 -1.542 1.00 0.00 H new ATOM 656 N PRO A 44 3.086 -0.006 -7.052 1.00 0.00 N ATOM 657 CA PRO A 44 2.111 -0.307 -8.087 1.00 0.00 C ATOM 658 C PRO A 44 1.085 -1.329 -7.593 1.00 0.00 C ATOM 659 O PRO A 44 1.453 -2.406 -7.125 1.00 0.00 O ATOM 660 CB PRO A 44 2.929 -0.809 -9.265 1.00 0.00 C ATOM 661 CG PRO A 44 4.280 -1.209 -8.694 1.00 0.00 C ATOM 662 CD PRO A 44 4.383 -0.631 -7.292 1.00 0.00 C ATOM 0 HA PRO A 44 1.519 0.563 -8.372 1.00 0.00 H new ATOM 0 HB2 PRO A 44 2.442 -1.657 -9.746 1.00 0.00 H new ATOM 0 HB3 PRO A 44 3.039 -0.033 -10.023 1.00 0.00 H new ATOM 0 HG2 PRO A 44 4.377 -2.294 -8.668 1.00 0.00 H new ATOM 0 HG3 PRO A 44 5.087 -0.832 -9.323 1.00 0.00 H new ATOM 0 HD2 PRO A 44 4.589 -1.409 -6.557 1.00 0.00 H new ATOM 0 HD3 PRO A 44 5.192 0.096 -7.222 1.00 0.00 H new ATOM 670 N ILE A 45 -0.180 -0.956 -7.713 1.00 0.00 N ATOM 671 CA ILE A 45 -1.261 -1.827 -7.285 1.00 0.00 C ATOM 672 C ILE A 45 -1.051 -3.223 -7.876 1.00 0.00 C ATOM 673 O ILE A 45 -0.994 -4.209 -7.144 1.00 0.00 O ATOM 674 CB ILE A 45 -2.617 -1.210 -7.633 1.00 0.00 C ATOM 675 CG1 ILE A 45 -2.720 0.222 -7.102 1.00 0.00 C ATOM 676 CG2 ILE A 45 -3.765 -2.090 -7.134 1.00 0.00 C ATOM 677 CD1 ILE A 45 -4.171 0.707 -7.110 1.00 0.00 C ATOM 0 H ILE A 45 -0.481 -0.062 -8.101 1.00 0.00 H new ATOM 0 HA ILE A 45 -1.255 -1.935 -6.200 1.00 0.00 H new ATOM 0 HB ILE A 45 -2.700 -1.158 -8.719 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -2.323 0.267 -6.088 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -2.108 0.885 -7.713 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -4.717 -1.628 -7.395 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -3.699 -3.073 -7.600 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -3.698 -2.197 -6.051 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -4.216 1.727 -6.728 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -4.557 0.684 -8.129 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -4.776 0.056 -6.478 1.00 0.00 H new ATOM 689 N HIS A 46 -0.942 -3.261 -9.196 1.00 0.00 N ATOM 690 CA HIS A 46 -0.740 -4.519 -9.894 1.00 0.00 C ATOM 691 C HIS A 46 0.229 -5.397 -9.099 1.00 0.00 C ATOM 692 O HIS A 46 0.151 -6.623 -9.157 1.00 0.00 O ATOM 693 CB HIS A 46 -0.275 -4.274 -11.331 1.00 0.00 C ATOM 694 CG HIS A 46 0.372 -2.927 -11.546 1.00 0.00 C ATOM 695 ND1 HIS A 46 -0.348 -1.745 -11.575 1.00 0.00 N ATOM 696 CD2 HIS A 46 1.678 -2.586 -11.742 1.00 0.00 C ATOM 697 CE1 HIS A 46 0.497 -0.745 -11.780 1.00 0.00 C ATOM 698 NE2 HIS A 46 1.752 -1.268 -11.884 1.00 0.00 N ATOM 0 H HIS A 46 -0.990 -2.441 -9.800 1.00 0.00 H new ATOM 0 HA HIS A 46 -1.686 -5.055 -9.966 1.00 0.00 H new ATOM 0 HB2 HIS A 46 0.433 -5.054 -11.611 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -1.131 -4.365 -12.000 1.00 0.00 H new ATOM 0 HD2 HIS A 46 2.511 -3.272 -11.776 1.00 0.00 H new ATOM 0 HE1 HIS A 46 0.237 0.301 -11.852 1.00 0.00 H new ATOM 0 HE2 HIS A 46 2.607 -0.735 -12.044 1.00 0.00 H new ATOM 706 N ASN A 47 1.119 -4.735 -8.376 1.00 0.00 N ATOM 707 CA ASN A 47 2.102 -5.439 -7.570 1.00 0.00 C ATOM 708 C ASN A 47 1.571 -5.593 -6.144 1.00 0.00 C ATOM 709 O ASN A 47 1.725 -6.647 -5.530 1.00 0.00 O ATOM 710 CB ASN A 47 3.419 -4.663 -7.503 1.00 0.00 C ATOM 711 CG ASN A 47 4.337 -5.039 -8.667 1.00 0.00 C ATOM 712 OD1 ASN A 47 4.043 -5.913 -9.467 1.00 0.00 O ATOM 713 ND2 ASN A 47 5.464 -4.334 -8.718 1.00 0.00 N ATOM 0 H ASN A 47 1.180 -3.718 -8.331 1.00 0.00 H new ATOM 0 HA ASN A 47 2.280 -6.411 -8.030 1.00 0.00 H new ATOM 0 HB2 ASN A 47 3.216 -3.592 -7.527 1.00 0.00 H new ATOM 0 HB3 ASN A 47 3.920 -4.872 -6.558 1.00 0.00 H new ATOM 0 HD21 ASN A 47 6.143 -4.511 -9.458 1.00 0.00 H new ATOM 0 HD22 ASN A 47 5.649 -3.616 -8.017 1.00 0.00 H new ATOM 720 N GLN A 48 0.955 -4.525 -5.658 1.00 0.00 N ATOM 721 CA GLN A 48 0.400 -4.528 -4.315 1.00 0.00 C ATOM 722 C GLN A 48 -0.568 -5.700 -4.143 1.00 0.00 C ATOM 723 O GLN A 48 -1.360 -5.992 -5.039 1.00 0.00 O ATOM 724 CB GLN A 48 -0.290 -3.197 -4.004 1.00 0.00 C ATOM 725 CG GLN A 48 0.650 -2.019 -4.265 1.00 0.00 C ATOM 726 CD GLN A 48 0.344 -0.854 -3.321 1.00 0.00 C ATOM 727 OE1 GLN A 48 1.079 -0.565 -2.392 1.00 0.00 O ATOM 728 NE2 GLN A 48 -0.779 -0.204 -3.611 1.00 0.00 N ATOM 0 H GLN A 48 0.828 -3.652 -6.170 1.00 0.00 H new ATOM 0 HA GLN A 48 1.218 -4.651 -3.605 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -1.185 -3.095 -4.617 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -0.613 -3.185 -2.963 1.00 0.00 H new ATOM 0 HG2 GLN A 48 1.684 -2.338 -4.132 1.00 0.00 H new ATOM 0 HG3 GLN A 48 0.548 -1.690 -5.299 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -1.349 -0.499 -4.404 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -1.071 0.589 -3.040 1.00 0.00 H new ATOM 737 N THR A 49 -0.474 -6.340 -2.987 1.00 0.00 N ATOM 738 CA THR A 49 -1.331 -7.473 -2.686 1.00 0.00 C ATOM 739 C THR A 49 -1.878 -7.366 -1.262 1.00 0.00 C ATOM 740 O THR A 49 -1.192 -7.713 -0.302 1.00 0.00 O ATOM 741 CB THR A 49 -0.528 -8.752 -2.934 1.00 0.00 C ATOM 742 OG1 THR A 49 -0.195 -8.690 -4.318 1.00 0.00 O ATOM 743 CG2 THR A 49 -1.385 -10.014 -2.814 1.00 0.00 C ATOM 0 H THR A 49 0.184 -6.095 -2.247 1.00 0.00 H new ATOM 0 HA THR A 49 -2.206 -7.490 -3.335 1.00 0.00 H new ATOM 0 HB THR A 49 0.298 -8.805 -2.225 1.00 0.00 H new ATOM 0 HG1 THR A 49 0.328 -9.481 -4.564 1.00 0.00 H new ATOM 0 HG21 THR A 49 -0.767 -10.893 -2.999 1.00 0.00 H new ATOM 0 HG22 THR A 49 -1.808 -10.073 -1.811 1.00 0.00 H new ATOM 0 HG23 THR A 49 -2.192 -9.977 -3.546 1.00 0.00 H new ATOM 751 N LEU A 50 -3.108 -6.883 -1.169 1.00 0.00 N ATOM 752 CA LEU A 50 -3.755 -6.725 0.122 1.00 0.00 C ATOM 753 C LEU A 50 -4.419 -8.045 0.520 1.00 0.00 C ATOM 754 O LEU A 50 -4.973 -8.745 -0.326 1.00 0.00 O ATOM 755 CB LEU A 50 -4.717 -5.535 0.098 1.00 0.00 C ATOM 756 CG LEU A 50 -4.070 -4.151 0.027 1.00 0.00 C ATOM 757 CD1 LEU A 50 -5.081 -3.055 0.369 1.00 0.00 C ATOM 758 CD2 LEU A 50 -2.826 -4.081 0.915 1.00 0.00 C ATOM 0 H LEU A 50 -3.674 -6.596 -1.967 1.00 0.00 H new ATOM 0 HA LEU A 50 -3.018 -6.494 0.891 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -5.382 -5.648 -0.758 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -5.339 -5.578 0.992 1.00 0.00 H new ATOM 0 HG LEU A 50 -3.743 -3.979 -0.999 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -4.595 -2.081 0.311 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -5.909 -3.090 -0.339 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -5.460 -3.212 1.379 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -2.385 -3.086 0.846 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -3.105 -4.283 1.949 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -2.100 -4.823 0.583 1.00 0.00 H new ATOM 770 N SER A 51 -4.342 -8.344 1.808 1.00 0.00 N ATOM 771 CA SER A 51 -4.929 -9.568 2.328 1.00 0.00 C ATOM 772 C SER A 51 -5.088 -9.468 3.847 1.00 0.00 C ATOM 773 O SER A 51 -4.226 -8.916 4.530 1.00 0.00 O ATOM 774 CB SER A 51 -4.078 -10.786 1.963 1.00 0.00 C ATOM 775 OG SER A 51 -4.821 -11.999 2.044 1.00 0.00 O ATOM 0 H SER A 51 -3.882 -7.761 2.507 1.00 0.00 H new ATOM 0 HA SER A 51 -5.911 -9.696 1.873 1.00 0.00 H new ATOM 0 HB2 SER A 51 -3.688 -10.666 0.952 1.00 0.00 H new ATOM 0 HB3 SER A 51 -3.219 -10.842 2.631 1.00 0.00 H new ATOM 0 HG SER A 51 -5.760 -11.795 2.234 1.00 0.00 H new ATOM 781 N THR A 52 -6.196 -10.010 4.331 1.00 0.00 N ATOM 782 CA THR A 52 -6.478 -9.988 5.756 1.00 0.00 C ATOM 783 C THR A 52 -5.895 -11.229 6.434 1.00 0.00 C ATOM 784 O THR A 52 -6.484 -11.763 7.373 1.00 0.00 O ATOM 785 CB THR A 52 -7.992 -9.852 5.936 1.00 0.00 C ATOM 786 OG1 THR A 52 -8.539 -10.653 4.892 1.00 0.00 O ATOM 787 CG2 THR A 52 -8.494 -8.441 5.625 1.00 0.00 C ATOM 0 H THR A 52 -6.909 -10.467 3.762 1.00 0.00 H new ATOM 0 HA THR A 52 -6.000 -9.137 6.241 1.00 0.00 H new ATOM 0 HB THR A 52 -8.261 -10.116 6.959 1.00 0.00 H new ATOM 0 HG1 THR A 52 -9.518 -10.623 4.935 1.00 0.00 H new ATOM 0 HG21 THR A 52 -9.574 -8.399 5.768 1.00 0.00 H new ATOM 0 HG22 THR A 52 -8.011 -7.728 6.293 1.00 0.00 H new ATOM 0 HG23 THR A 52 -8.255 -8.189 4.592 1.00 0.00 H new ATOM 795 N ASN A 53 -4.744 -11.652 5.933 1.00 0.00 N ATOM 796 CA ASN A 53 -4.074 -12.821 6.478 1.00 0.00 C ATOM 797 C ASN A 53 -2.561 -12.601 6.438 1.00 0.00 C ATOM 798 O ASN A 53 -2.002 -12.297 5.385 1.00 0.00 O ATOM 799 CB ASN A 53 -4.392 -14.072 5.657 1.00 0.00 C ATOM 800 CG ASN A 53 -4.638 -15.277 6.566 1.00 0.00 C ATOM 801 OD1 ASN A 53 -3.849 -15.601 7.439 1.00 0.00 O ATOM 802 ND2 ASN A 53 -5.775 -15.921 6.315 1.00 0.00 N ATOM 0 H ASN A 53 -4.258 -11.206 5.155 1.00 0.00 H new ATOM 0 HA ASN A 53 -4.423 -12.963 7.501 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -5.272 -13.892 5.040 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -3.566 -14.286 4.979 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -6.031 -16.739 6.868 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -6.391 -15.597 5.569 1.00 0.00 H new ATOM 809 N ARG A 54 -1.940 -12.763 7.597 1.00 0.00 N ATOM 810 CA ARG A 54 -0.502 -12.586 7.707 1.00 0.00 C ATOM 811 C ARG A 54 0.227 -13.598 6.821 1.00 0.00 C ATOM 812 O ARG A 54 1.414 -13.441 6.541 1.00 0.00 O ATOM 813 CB ARG A 54 -0.035 -12.757 9.154 1.00 0.00 C ATOM 814 CG ARG A 54 -0.182 -14.210 9.610 1.00 0.00 C ATOM 815 CD ARG A 54 -1.279 -14.344 10.668 1.00 0.00 C ATOM 816 NE ARG A 54 -1.274 -15.713 11.231 1.00 0.00 N ATOM 817 CZ ARG A 54 -0.402 -16.143 12.152 1.00 0.00 C ATOM 818 NH1 ARG A 54 0.541 -15.315 12.620 1.00 0.00 N ATOM 819 NH2 ARG A 54 -0.472 -17.402 12.606 1.00 0.00 N ATOM 0 H ARG A 54 -2.407 -13.015 8.468 1.00 0.00 H new ATOM 0 HA ARG A 54 -0.267 -11.574 7.378 1.00 0.00 H new ATOM 0 HB2 ARG A 54 1.007 -12.448 9.243 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -0.617 -12.107 9.807 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -0.419 -14.842 8.754 1.00 0.00 H new ATOM 0 HG3 ARG A 54 0.765 -14.565 10.016 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -1.121 -13.615 11.462 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -2.251 -14.127 10.225 1.00 0.00 H new ATOM 0 HE ARG A 54 -1.979 -16.370 10.897 1.00 0.00 H new ATOM 0 HH11 ARG A 54 0.595 -14.357 12.275 1.00 0.00 H new ATOM 0 HH12 ARG A 54 1.205 -15.643 13.321 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -1.190 -18.033 12.250 1.00 0.00 H new ATOM 0 HH22 ARG A 54 0.192 -17.729 13.307 1.00 0.00 H new ATOM 833 N ASN A 55 -0.515 -14.613 6.403 1.00 0.00 N ATOM 834 CA ASN A 55 0.046 -15.650 5.554 1.00 0.00 C ATOM 835 C ASN A 55 0.459 -15.038 4.215 1.00 0.00 C ATOM 836 O ASN A 55 1.193 -15.657 3.446 1.00 0.00 O ATOM 837 CB ASN A 55 -0.982 -16.749 5.275 1.00 0.00 C ATOM 838 CG ASN A 55 -1.099 -17.705 6.464 1.00 0.00 C ATOM 839 OD1 ASN A 55 -0.178 -18.429 6.805 1.00 0.00 O ATOM 840 ND2 ASN A 55 -2.280 -17.666 7.075 1.00 0.00 N ATOM 0 H ASN A 55 -1.500 -14.739 6.636 1.00 0.00 H new ATOM 0 HA ASN A 55 0.904 -16.081 6.070 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -1.953 -16.299 5.068 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -0.692 -17.305 4.384 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -2.457 -18.266 7.881 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -3.008 -17.036 6.738 1.00 0.00 H new ATOM 847 N LEU A 56 -0.030 -13.830 3.976 1.00 0.00 N ATOM 848 CA LEU A 56 0.280 -13.128 2.742 1.00 0.00 C ATOM 849 C LEU A 56 1.776 -12.809 2.704 1.00 0.00 C ATOM 850 O LEU A 56 2.382 -12.788 1.634 1.00 0.00 O ATOM 851 CB LEU A 56 -0.615 -11.897 2.587 1.00 0.00 C ATOM 852 CG LEU A 56 -0.184 -10.883 1.525 1.00 0.00 C ATOM 853 CD1 LEU A 56 -0.155 -11.523 0.136 1.00 0.00 C ATOM 854 CD2 LEU A 56 -1.072 -9.638 1.564 1.00 0.00 C ATOM 0 H LEU A 56 -0.639 -13.320 4.616 1.00 0.00 H new ATOM 0 HA LEU A 56 0.066 -13.760 1.880 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -1.624 -12.234 2.351 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -0.666 -11.386 3.549 1.00 0.00 H new ATOM 0 HG LEU A 56 0.832 -10.561 1.752 1.00 0.00 H new ATOM 0 HD11 LEU A 56 0.154 -10.781 -0.600 1.00 0.00 H new ATOM 0 HD12 LEU A 56 0.551 -12.354 0.133 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -1.150 -11.891 -0.116 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -0.744 -8.933 0.800 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -2.107 -9.923 1.375 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -0.998 -9.169 2.545 1.00 0.00 H new ATOM 866 N LEU A 57 2.328 -12.568 3.884 1.00 0.00 N ATOM 867 CA LEU A 57 3.741 -12.252 3.998 1.00 0.00 C ATOM 868 C LEU A 57 4.566 -13.505 3.701 1.00 0.00 C ATOM 869 O LEU A 57 5.790 -13.439 3.605 1.00 0.00 O ATOM 870 CB LEU A 57 4.041 -11.627 5.362 1.00 0.00 C ATOM 871 CG LEU A 57 3.013 -10.619 5.880 1.00 0.00 C ATOM 872 CD1 LEU A 57 3.479 -9.984 7.191 1.00 0.00 C ATOM 873 CD2 LEU A 57 2.692 -9.568 4.816 1.00 0.00 C ATOM 0 H LEU A 57 1.822 -12.585 4.769 1.00 0.00 H new ATOM 0 HA LEU A 57 4.024 -11.502 3.260 1.00 0.00 H new ATOM 0 HB2 LEU A 57 4.134 -12.429 6.094 1.00 0.00 H new ATOM 0 HB3 LEU A 57 5.010 -11.131 5.307 1.00 0.00 H new ATOM 0 HG LEU A 57 2.088 -11.154 6.094 1.00 0.00 H new ATOM 0 HD11 LEU A 57 2.730 -9.272 7.537 1.00 0.00 H new ATOM 0 HD12 LEU A 57 3.616 -10.761 7.943 1.00 0.00 H new ATOM 0 HD13 LEU A 57 4.424 -9.466 7.029 1.00 0.00 H new ATOM 0 HD21 LEU A 57 1.959 -8.864 5.210 1.00 0.00 H new ATOM 0 HD22 LEU A 57 3.602 -9.032 4.548 1.00 0.00 H new ATOM 0 HD23 LEU A 57 2.286 -10.058 3.931 1.00 0.00 H new ATOM 885 N LEU A 58 3.862 -14.619 3.564 1.00 0.00 N ATOM 886 CA LEU A 58 4.514 -15.886 3.280 1.00 0.00 C ATOM 887 C LEU A 58 4.659 -16.052 1.766 1.00 0.00 C ATOM 888 O LEU A 58 5.703 -16.489 1.283 1.00 0.00 O ATOM 889 CB LEU A 58 3.766 -17.037 3.955 1.00 0.00 C ATOM 890 CG LEU A 58 3.496 -16.875 5.452 1.00 0.00 C ATOM 891 CD1 LEU A 58 2.786 -18.106 6.018 1.00 0.00 C ATOM 892 CD2 LEU A 58 4.786 -16.558 6.211 1.00 0.00 C ATOM 0 H LEU A 58 2.846 -14.670 3.644 1.00 0.00 H new ATOM 0 HA LEU A 58 5.519 -15.899 3.701 1.00 0.00 H new ATOM 0 HB2 LEU A 58 2.811 -17.171 3.446 1.00 0.00 H new ATOM 0 HB3 LEU A 58 4.338 -17.953 3.806 1.00 0.00 H new ATOM 0 HG LEU A 58 2.826 -16.026 5.588 1.00 0.00 H new ATOM 0 HD11 LEU A 58 2.606 -17.964 7.084 1.00 0.00 H new ATOM 0 HD12 LEU A 58 1.835 -18.245 5.505 1.00 0.00 H new ATOM 0 HD13 LEU A 58 3.411 -18.987 5.869 1.00 0.00 H new ATOM 0 HD21 LEU A 58 4.566 -16.448 7.273 1.00 0.00 H new ATOM 0 HD22 LEU A 58 5.500 -17.370 6.071 1.00 0.00 H new ATOM 0 HD23 LEU A 58 5.213 -15.630 5.831 1.00 0.00 H new ATOM 904 N ALA A 59 3.597 -15.694 1.059 1.00 0.00 N ATOM 905 CA ALA A 59 3.593 -15.798 -0.390 1.00 0.00 C ATOM 906 C ALA A 59 4.840 -15.110 -0.950 1.00 0.00 C ATOM 907 O ALA A 59 5.029 -13.909 -0.761 1.00 0.00 O ATOM 908 CB ALA A 59 2.299 -15.196 -0.942 1.00 0.00 C ATOM 0 H ALA A 59 2.733 -15.332 1.463 1.00 0.00 H new ATOM 0 HA ALA A 59 3.625 -16.843 -0.699 1.00 0.00 H new ATOM 0 HB1 ALA A 59 2.296 -15.274 -2.029 1.00 0.00 H new ATOM 0 HB2 ALA A 59 1.444 -15.738 -0.537 1.00 0.00 H new ATOM 0 HB3 ALA A 59 2.234 -14.147 -0.653 1.00 0.00 H new ATOM 914 N LYS A 60 5.659 -15.901 -1.628 1.00 0.00 N ATOM 915 CA LYS A 60 6.883 -15.383 -2.216 1.00 0.00 C ATOM 916 C LYS A 60 6.749 -15.380 -3.740 1.00 0.00 C ATOM 917 O LYS A 60 7.394 -14.585 -4.422 1.00 0.00 O ATOM 918 CB LYS A 60 8.095 -16.165 -1.706 1.00 0.00 C ATOM 919 CG LYS A 60 8.548 -15.645 -0.340 1.00 0.00 C ATOM 920 CD LYS A 60 9.653 -14.598 -0.491 1.00 0.00 C ATOM 921 CE LYS A 60 10.976 -15.251 -0.895 1.00 0.00 C ATOM 922 NZ LYS A 60 11.590 -14.522 -2.027 1.00 0.00 N ATOM 0 H LYS A 60 5.499 -16.896 -1.783 1.00 0.00 H new ATOM 0 HA LYS A 60 7.047 -14.350 -1.908 1.00 0.00 H new ATOM 0 HB2 LYS A 60 7.844 -17.223 -1.631 1.00 0.00 H new ATOM 0 HB3 LYS A 60 8.914 -16.081 -2.421 1.00 0.00 H new ATOM 0 HG2 LYS A 60 7.699 -15.210 0.187 1.00 0.00 H new ATOM 0 HG3 LYS A 60 8.909 -16.475 0.268 1.00 0.00 H new ATOM 0 HD2 LYS A 60 9.362 -13.863 -1.241 1.00 0.00 H new ATOM 0 HD3 LYS A 60 9.781 -14.061 0.449 1.00 0.00 H new ATOM 0 HE2 LYS A 60 11.659 -15.258 -0.046 1.00 0.00 H new ATOM 0 HE3 LYS A 60 10.805 -16.291 -1.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 12.487 -14.979 -2.288 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 10.943 -14.538 -2.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 11.772 -13.537 -1.748 1.00 0.00 H new ATOM 936 N SER A 61 5.908 -16.279 -4.230 1.00 0.00 N ATOM 937 CA SER A 61 5.682 -16.390 -5.661 1.00 0.00 C ATOM 938 C SER A 61 4.446 -15.582 -6.060 1.00 0.00 C ATOM 939 O SER A 61 3.756 -15.033 -5.203 1.00 0.00 O ATOM 940 CB SER A 61 5.518 -17.853 -6.081 1.00 0.00 C ATOM 941 OG SER A 61 6.536 -18.265 -6.989 1.00 0.00 O ATOM 0 H SER A 61 5.375 -16.937 -3.662 1.00 0.00 H new ATOM 0 HA SER A 61 6.554 -15.987 -6.177 1.00 0.00 H new ATOM 0 HB2 SER A 61 5.542 -18.489 -5.196 1.00 0.00 H new ATOM 0 HB3 SER A 61 4.541 -17.990 -6.545 1.00 0.00 H new ATOM 0 HG SER A 61 6.397 -19.204 -7.232 1.00 0.00 H new ATOM 947 N PRO A 62 4.198 -15.533 -7.397 1.00 0.00 N ATOM 948 CA PRO A 62 3.057 -14.800 -7.919 1.00 0.00 C ATOM 949 C PRO A 62 1.755 -15.563 -7.671 1.00 0.00 C ATOM 950 O PRO A 62 0.781 -14.994 -7.180 1.00 0.00 O ATOM 951 CB PRO A 62 3.358 -14.605 -9.397 1.00 0.00 C ATOM 952 CG PRO A 62 4.425 -15.631 -9.743 1.00 0.00 C ATOM 953 CD PRO A 62 4.994 -16.171 -8.441 1.00 0.00 C ATOM 0 HA PRO A 62 2.912 -13.839 -7.425 1.00 0.00 H new ATOM 0 HB2 PRO A 62 2.463 -14.753 -10.001 1.00 0.00 H new ATOM 0 HB3 PRO A 62 3.711 -13.593 -9.594 1.00 0.00 H new ATOM 0 HG2 PRO A 62 3.999 -16.439 -10.337 1.00 0.00 H new ATOM 0 HG3 PRO A 62 5.212 -15.175 -10.343 1.00 0.00 H new ATOM 0 HD2 PRO A 62 4.913 -17.257 -8.393 1.00 0.00 H new ATOM 0 HD3 PRO A 62 6.051 -15.926 -8.339 1.00 0.00 H new ATOM 961 N SER A 63 1.779 -16.841 -8.020 1.00 0.00 N ATOM 962 CA SER A 63 0.612 -17.688 -7.841 1.00 0.00 C ATOM 963 C SER A 63 0.207 -17.715 -6.366 1.00 0.00 C ATOM 964 O SER A 63 -0.979 -17.787 -6.046 1.00 0.00 O ATOM 965 CB SER A 63 0.880 -19.108 -8.343 1.00 0.00 C ATOM 966 OG SER A 63 0.063 -19.442 -9.462 1.00 0.00 O ATOM 0 H SER A 63 2.588 -17.311 -8.426 1.00 0.00 H new ATOM 0 HA SER A 63 -0.206 -17.272 -8.429 1.00 0.00 H new ATOM 0 HB2 SER A 63 1.930 -19.202 -8.620 1.00 0.00 H new ATOM 0 HB3 SER A 63 0.698 -19.818 -7.536 1.00 0.00 H new ATOM 0 HG SER A 63 0.265 -20.355 -9.754 1.00 0.00 H new ATOM 972 N ASP A 64 1.214 -17.655 -5.507 1.00 0.00 N ATOM 973 CA ASP A 64 0.977 -17.672 -4.074 1.00 0.00 C ATOM 974 C ASP A 64 0.102 -16.476 -3.692 1.00 0.00 C ATOM 975 O ASP A 64 -0.854 -16.620 -2.930 1.00 0.00 O ATOM 976 CB ASP A 64 2.290 -17.564 -3.297 1.00 0.00 C ATOM 977 CG ASP A 64 2.342 -18.370 -1.997 1.00 0.00 C ATOM 978 OD1 ASP A 64 1.419 -18.181 -1.176 1.00 0.00 O ATOM 979 OD2 ASP A 64 3.303 -19.156 -1.855 1.00 0.00 O ATOM 0 H ASP A 64 2.196 -17.595 -5.776 1.00 0.00 H new ATOM 0 HA ASP A 64 0.487 -18.613 -3.825 1.00 0.00 H new ATOM 0 HB2 ASP A 64 3.105 -17.892 -3.943 1.00 0.00 H new ATOM 0 HB3 ASP A 64 2.471 -16.515 -3.064 1.00 0.00 H new ATOM 984 N PHE A 65 0.460 -15.323 -4.238 1.00 0.00 N ATOM 985 CA PHE A 65 -0.281 -14.104 -3.965 1.00 0.00 C ATOM 986 C PHE A 65 -1.694 -14.178 -4.546 1.00 0.00 C ATOM 987 O PHE A 65 -2.579 -13.430 -4.134 1.00 0.00 O ATOM 988 CB PHE A 65 0.476 -12.959 -4.641 1.00 0.00 C ATOM 989 CG PHE A 65 1.731 -12.513 -3.888 1.00 0.00 C ATOM 990 CD1 PHE A 65 1.663 -12.230 -2.560 1.00 0.00 C ATOM 991 CD2 PHE A 65 2.915 -12.399 -4.548 1.00 0.00 C ATOM 992 CE1 PHE A 65 2.828 -11.815 -1.862 1.00 0.00 C ATOM 993 CE2 PHE A 65 4.080 -11.985 -3.850 1.00 0.00 C ATOM 994 CZ PHE A 65 4.012 -11.702 -2.521 1.00 0.00 C ATOM 0 H PHE A 65 1.254 -15.208 -4.868 1.00 0.00 H new ATOM 0 HA PHE A 65 -0.368 -13.955 -2.889 1.00 0.00 H new ATOM 0 HB2 PHE A 65 0.759 -13.268 -5.647 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -0.194 -12.106 -4.746 1.00 0.00 H new ATOM 0 HD1 PHE A 65 0.723 -12.321 -2.036 1.00 0.00 H new ATOM 0 HD2 PHE A 65 2.969 -12.623 -5.603 1.00 0.00 H new ATOM 0 HE1 PHE A 65 2.774 -11.589 -0.807 1.00 0.00 H new ATOM 0 HE2 PHE A 65 5.020 -11.895 -4.374 1.00 0.00 H new ATOM 0 HZ PHE A 65 4.898 -11.388 -1.990 1.00 0.00 H new ATOM 1004 N LEU A 66 -1.863 -15.088 -5.494 1.00 0.00 N ATOM 1005 CA LEU A 66 -3.153 -15.270 -6.136 1.00 0.00 C ATOM 1006 C LEU A 66 -4.082 -16.041 -5.195 1.00 0.00 C ATOM 1007 O LEU A 66 -5.298 -16.042 -5.382 1.00 0.00 O ATOM 1008 CB LEU A 66 -2.982 -15.929 -7.506 1.00 0.00 C ATOM 1009 CG LEU A 66 -2.157 -15.145 -8.529 1.00 0.00 C ATOM 1010 CD1 LEU A 66 -1.791 -16.023 -9.727 1.00 0.00 C ATOM 1011 CD2 LEU A 66 -2.884 -13.868 -8.956 1.00 0.00 C ATOM 0 H LEU A 66 -1.127 -15.708 -5.833 1.00 0.00 H new ATOM 0 HA LEU A 66 -3.622 -14.305 -6.328 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -2.515 -16.904 -7.363 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -3.971 -16.108 -7.927 1.00 0.00 H new ATOM 0 HG LEU A 66 -1.224 -14.842 -8.055 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -1.205 -15.442 -10.439 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -1.205 -16.877 -9.387 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -2.702 -16.377 -10.210 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -2.276 -13.329 -9.683 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -3.842 -14.128 -9.405 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -3.052 -13.236 -8.084 1.00 0.00 H new ATOM 1023 N ALA A 67 -3.474 -16.677 -4.205 1.00 0.00 N ATOM 1024 CA ALA A 67 -4.231 -17.449 -3.235 1.00 0.00 C ATOM 1025 C ALA A 67 -5.024 -16.496 -2.338 1.00 0.00 C ATOM 1026 O ALA A 67 -6.113 -16.834 -1.877 1.00 0.00 O ATOM 1027 CB ALA A 67 -3.278 -18.342 -2.438 1.00 0.00 C ATOM 0 H ALA A 67 -2.465 -16.673 -4.054 1.00 0.00 H new ATOM 0 HA ALA A 67 -4.946 -18.101 -3.737 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -3.846 -18.921 -1.710 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -2.761 -19.020 -3.117 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -2.548 -17.722 -1.918 1.00 0.00 H new ATOM 1033 N PHE A 68 -4.446 -15.324 -2.117 1.00 0.00 N ATOM 1034 CA PHE A 68 -5.086 -14.320 -1.284 1.00 0.00 C ATOM 1035 C PHE A 68 -5.966 -13.391 -2.122 1.00 0.00 C ATOM 1036 O PHE A 68 -5.493 -12.380 -2.639 1.00 0.00 O ATOM 1037 CB PHE A 68 -3.969 -13.498 -0.637 1.00 0.00 C ATOM 1038 CG PHE A 68 -2.964 -14.332 0.159 1.00 0.00 C ATOM 1039 CD1 PHE A 68 -1.873 -14.857 -0.461 1.00 0.00 C ATOM 1040 CD2 PHE A 68 -3.161 -14.549 1.487 1.00 0.00 C ATOM 1041 CE1 PHE A 68 -0.940 -15.631 0.279 1.00 0.00 C ATOM 1042 CE2 PHE A 68 -2.228 -15.323 2.227 1.00 0.00 C ATOM 1043 CZ PHE A 68 -1.137 -15.848 1.607 1.00 0.00 C ATOM 0 H PHE A 68 -3.542 -15.048 -2.500 1.00 0.00 H new ATOM 0 HA PHE A 68 -5.720 -14.803 -0.540 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -3.436 -12.952 -1.415 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -4.415 -12.756 0.025 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -1.716 -14.685 -1.516 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -4.027 -14.133 1.979 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -0.074 -16.047 -0.213 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -2.385 -15.495 3.282 1.00 0.00 H new ATOM 0 HZ PHE A 68 -0.427 -16.437 2.169 1.00 0.00 H new ATOM 1053 N THR A 69 -7.232 -13.767 -2.231 1.00 0.00 N ATOM 1054 CA THR A 69 -8.183 -12.981 -2.998 1.00 0.00 C ATOM 1055 C THR A 69 -9.273 -12.421 -2.082 1.00 0.00 C ATOM 1056 O THR A 69 -10.456 -12.700 -2.275 1.00 0.00 O ATOM 1057 CB THR A 69 -8.729 -13.863 -4.122 1.00 0.00 C ATOM 1058 OG1 THR A 69 -9.292 -14.983 -3.443 1.00 0.00 O ATOM 1059 CG2 THR A 69 -7.618 -14.469 -4.982 1.00 0.00 C ATOM 0 H THR A 69 -7.621 -14.606 -1.801 1.00 0.00 H new ATOM 0 HA THR A 69 -7.704 -12.113 -3.451 1.00 0.00 H new ATOM 0 HB THR A 69 -9.397 -13.276 -4.752 1.00 0.00 H new ATOM 0 HG1 THR A 69 -10.012 -14.679 -2.852 1.00 0.00 H new ATOM 0 HG21 THR A 69 -8.059 -15.086 -5.765 1.00 0.00 H new ATOM 0 HG22 THR A 69 -7.033 -13.670 -5.437 1.00 0.00 H new ATOM 0 HG23 THR A 69 -6.969 -15.084 -4.358 1.00 0.00 H new ATOM 1067 N ASP A 70 -8.836 -11.640 -1.104 1.00 0.00 N ATOM 1068 CA ASP A 70 -9.760 -11.038 -0.158 1.00 0.00 C ATOM 1069 C ASP A 70 -9.961 -9.564 -0.515 1.00 0.00 C ATOM 1070 O ASP A 70 -11.073 -9.046 -0.427 1.00 0.00 O ATOM 1071 CB ASP A 70 -9.211 -11.108 1.268 1.00 0.00 C ATOM 1072 CG ASP A 70 -8.359 -12.342 1.573 1.00 0.00 C ATOM 1073 OD1 ASP A 70 -8.551 -13.353 0.865 1.00 0.00 O ATOM 1074 OD2 ASP A 70 -7.534 -12.245 2.508 1.00 0.00 O ATOM 0 H ASP A 70 -7.855 -11.411 -0.947 1.00 0.00 H new ATOM 0 HA ASP A 70 -10.701 -11.586 -0.210 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -8.612 -10.216 1.455 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -10.048 -11.082 1.965 1.00 0.00 H new ATOM 1079 N MET A 71 -8.868 -8.930 -0.911 1.00 0.00 N ATOM 1080 CA MET A 71 -8.910 -7.526 -1.282 1.00 0.00 C ATOM 1081 C MET A 71 -8.294 -7.305 -2.666 1.00 0.00 C ATOM 1082 O MET A 71 -7.677 -6.272 -2.917 1.00 0.00 O ATOM 1083 CB MET A 71 -8.145 -6.700 -0.246 1.00 0.00 C ATOM 1084 CG MET A 71 -8.903 -6.650 1.082 1.00 0.00 C ATOM 1085 SD MET A 71 -7.810 -6.118 2.389 1.00 0.00 S ATOM 1086 CE MET A 71 -7.496 -4.440 1.868 1.00 0.00 C ATOM 0 H MET A 71 -7.947 -9.363 -0.983 1.00 0.00 H new ATOM 0 HA MET A 71 -9.953 -7.210 -1.314 1.00 0.00 H new ATOM 0 HB2 MET A 71 -7.157 -7.132 -0.089 1.00 0.00 H new ATOM 0 HB3 MET A 71 -7.995 -5.688 -0.621 1.00 0.00 H new ATOM 0 HG2 MET A 71 -9.748 -5.966 1.002 1.00 0.00 H new ATOM 0 HG3 MET A 71 -9.310 -7.634 1.315 1.00 0.00 H new ATOM 0 HE1 MET A 71 -6.757 -3.986 2.528 1.00 0.00 H new ATOM 0 HE2 MET A 71 -7.118 -4.441 0.846 1.00 0.00 H new ATOM 0 HE3 MET A 71 -8.422 -3.866 1.911 1.00 0.00 H new ATOM 1096 N ALA A 72 -8.484 -8.294 -3.527 1.00 0.00 N ATOM 1097 CA ALA A 72 -7.956 -8.221 -4.878 1.00 0.00 C ATOM 1098 C ALA A 72 -8.932 -7.443 -5.762 1.00 0.00 C ATOM 1099 O ALA A 72 -8.516 -6.724 -6.670 1.00 0.00 O ATOM 1100 CB ALA A 72 -7.695 -9.635 -5.402 1.00 0.00 C ATOM 0 H ALA A 72 -8.996 -9.150 -3.315 1.00 0.00 H new ATOM 0 HA ALA A 72 -7.005 -7.688 -4.889 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -7.299 -9.580 -6.416 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -6.972 -10.135 -4.757 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -8.628 -10.199 -5.407 1.00 0.00 H new ATOM 1106 N ASP A 73 -10.213 -7.613 -5.467 1.00 0.00 N ATOM 1107 CA ASP A 73 -11.252 -6.935 -6.223 1.00 0.00 C ATOM 1108 C ASP A 73 -11.189 -5.433 -5.935 1.00 0.00 C ATOM 1109 O ASP A 73 -11.284 -5.014 -4.783 1.00 0.00 O ATOM 1110 CB ASP A 73 -12.641 -7.436 -5.822 1.00 0.00 C ATOM 1111 CG ASP A 73 -13.796 -6.874 -6.653 1.00 0.00 C ATOM 1112 OD1 ASP A 73 -13.895 -7.278 -7.832 1.00 0.00 O ATOM 1113 OD2 ASP A 73 -14.553 -6.053 -6.091 1.00 0.00 O ATOM 0 H ASP A 73 -10.555 -8.211 -4.714 1.00 0.00 H new ATOM 0 HA ASP A 73 -11.087 -7.139 -7.281 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -12.654 -8.523 -5.898 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -12.812 -7.187 -4.775 1.00 0.00 H new ATOM 1118 N PRO A 74 -11.026 -4.645 -7.031 1.00 0.00 N ATOM 1119 CA PRO A 74 -10.949 -3.199 -6.907 1.00 0.00 C ATOM 1120 C PRO A 74 -12.331 -2.598 -6.638 1.00 0.00 C ATOM 1121 O PRO A 74 -12.438 -1.465 -6.172 1.00 0.00 O ATOM 1122 CB PRO A 74 -10.340 -2.724 -8.216 1.00 0.00 C ATOM 1123 CG PRO A 74 -10.527 -3.866 -9.202 1.00 0.00 C ATOM 1124 CD PRO A 74 -10.909 -5.106 -8.411 1.00 0.00 C ATOM 0 HA PRO A 74 -10.340 -2.881 -6.061 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -10.832 -1.818 -8.570 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -9.284 -2.485 -8.091 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -11.303 -3.621 -9.927 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -9.609 -4.039 -9.764 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -11.848 -5.529 -8.768 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -10.152 -5.885 -8.505 1.00 0.00 H new ATOM 1132 N ASN A 75 -13.352 -3.384 -6.944 1.00 0.00 N ATOM 1133 CA ASN A 75 -14.722 -2.944 -6.741 1.00 0.00 C ATOM 1134 C ASN A 75 -15.179 -3.345 -5.337 1.00 0.00 C ATOM 1135 O ASN A 75 -16.302 -3.041 -4.936 1.00 0.00 O ATOM 1136 CB ASN A 75 -15.667 -3.598 -7.751 1.00 0.00 C ATOM 1137 CG ASN A 75 -15.730 -2.788 -9.047 1.00 0.00 C ATOM 1138 OD1 ASN A 75 -16.605 -1.963 -9.252 1.00 0.00 O ATOM 1139 ND2 ASN A 75 -14.756 -3.069 -9.909 1.00 0.00 N ATOM 0 H ASN A 75 -13.258 -4.323 -7.331 1.00 0.00 H new ATOM 0 HA ASN A 75 -14.751 -1.862 -6.869 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -15.329 -4.611 -7.967 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -16.665 -3.680 -7.320 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -14.711 -2.582 -10.804 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -14.054 -3.771 -9.675 1.00 0.00 H new ATOM 1146 N LEU A 76 -14.287 -4.022 -4.630 1.00 0.00 N ATOM 1147 CA LEU A 76 -14.585 -4.468 -3.279 1.00 0.00 C ATOM 1148 C LEU A 76 -14.325 -3.322 -2.299 1.00 0.00 C ATOM 1149 O LEU A 76 -13.314 -2.629 -2.403 1.00 0.00 O ATOM 1150 CB LEU A 76 -13.807 -5.744 -2.953 1.00 0.00 C ATOM 1151 CG LEU A 76 -13.774 -6.151 -1.478 1.00 0.00 C ATOM 1152 CD1 LEU A 76 -14.332 -7.562 -1.286 1.00 0.00 C ATOM 1153 CD2 LEU A 76 -12.363 -6.009 -0.902 1.00 0.00 C ATOM 0 H LEU A 76 -13.357 -4.273 -4.967 1.00 0.00 H new ATOM 0 HA LEU A 76 -15.639 -4.732 -3.189 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -14.238 -6.565 -3.526 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -12.781 -5.618 -3.298 1.00 0.00 H new ATOM 0 HG LEU A 76 -14.419 -5.471 -0.921 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -14.297 -7.826 -0.229 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -15.364 -7.596 -1.635 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -13.733 -8.271 -1.857 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -12.367 -6.304 0.147 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -11.677 -6.650 -1.457 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -12.039 -4.972 -0.986 1.00 0.00 H new ATOM 1165 N ARG A 77 -15.255 -3.158 -1.370 1.00 0.00 N ATOM 1166 CA ARG A 77 -15.140 -2.108 -0.373 1.00 0.00 C ATOM 1167 C ARG A 77 -14.492 -2.655 0.901 1.00 0.00 C ATOM 1168 O ARG A 77 -14.603 -3.844 1.197 1.00 0.00 O ATOM 1169 CB ARG A 77 -16.510 -1.522 -0.028 1.00 0.00 C ATOM 1170 CG ARG A 77 -17.136 -0.838 -1.246 1.00 0.00 C ATOM 1171 CD ARG A 77 -18.661 -0.803 -1.132 1.00 0.00 C ATOM 1172 NE ARG A 77 -19.221 0.151 -2.116 1.00 0.00 N ATOM 1173 CZ ARG A 77 -20.513 0.500 -2.172 1.00 0.00 C ATOM 1174 NH1 ARG A 77 -21.387 -0.025 -1.303 1.00 0.00 N ATOM 1175 NH2 ARG A 77 -20.931 1.373 -3.099 1.00 0.00 N ATOM 0 H ARG A 77 -16.092 -3.735 -1.287 1.00 0.00 H new ATOM 0 HA ARG A 77 -14.516 -1.319 -0.793 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -17.169 -2.314 0.328 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -16.408 -0.803 0.785 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -16.751 0.178 -1.335 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -16.848 -1.369 -2.154 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -19.070 -1.799 -1.305 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -18.952 -0.510 -0.123 1.00 0.00 H new ATOM 0 HE ARG A 77 -18.583 0.569 -2.794 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -21.069 -0.691 -0.599 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -22.371 0.241 -1.346 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -20.265 1.771 -3.761 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -21.915 1.639 -3.142 1.00 0.00 H new ATOM 1189 N ILE A 78 -13.830 -1.761 1.621 1.00 0.00 N ATOM 1190 CA ILE A 78 -13.165 -2.140 2.856 1.00 0.00 C ATOM 1191 C ILE A 78 -14.214 -2.570 3.884 1.00 0.00 C ATOM 1192 O ILE A 78 -13.895 -3.264 4.848 1.00 0.00 O ATOM 1193 CB ILE A 78 -12.255 -1.010 3.342 1.00 0.00 C ATOM 1194 CG1 ILE A 78 -12.979 0.337 3.297 1.00 0.00 C ATOM 1195 CG2 ILE A 78 -10.945 -0.983 2.552 1.00 0.00 C ATOM 1196 CD1 ILE A 78 -12.542 1.234 4.456 1.00 0.00 C ATOM 0 H ILE A 78 -13.740 -0.776 1.373 1.00 0.00 H new ATOM 0 HA ILE A 78 -12.511 -2.996 2.690 1.00 0.00 H new ATOM 0 HB ILE A 78 -11.999 -1.203 4.384 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -12.771 0.834 2.350 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -14.056 0.177 3.343 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -10.317 -0.171 2.917 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -10.423 -1.931 2.680 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -11.161 -0.828 1.495 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -13.072 2.185 4.400 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -12.774 0.745 5.402 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -11.469 1.413 4.393 1.00 0.00 H new ATOM 1208 N SER A 79 -15.443 -2.139 3.643 1.00 0.00 N ATOM 1209 CA SER A 79 -16.541 -2.471 4.536 1.00 0.00 C ATOM 1210 C SER A 79 -16.825 -3.974 4.479 1.00 0.00 C ATOM 1211 O SER A 79 -17.535 -4.507 5.331 1.00 0.00 O ATOM 1212 CB SER A 79 -17.800 -1.679 4.180 1.00 0.00 C ATOM 1213 OG SER A 79 -18.764 -1.709 5.228 1.00 0.00 O ATOM 0 H SER A 79 -15.703 -1.563 2.843 1.00 0.00 H new ATOM 0 HA SER A 79 -16.250 -2.200 5.551 1.00 0.00 H new ATOM 0 HB2 SER A 79 -17.529 -0.645 3.966 1.00 0.00 H new ATOM 0 HB3 SER A 79 -18.240 -2.088 3.271 1.00 0.00 H new ATOM 0 HG SER A 79 -18.718 -2.572 5.690 1.00 0.00 H new ATOM 1219 N SER A 80 -16.257 -4.613 3.468 1.00 0.00 N ATOM 1220 CA SER A 80 -16.441 -6.044 3.289 1.00 0.00 C ATOM 1221 C SER A 80 -15.786 -6.804 4.444 1.00 0.00 C ATOM 1222 O SER A 80 -16.264 -7.865 4.844 1.00 0.00 O ATOM 1223 CB SER A 80 -15.863 -6.510 1.951 1.00 0.00 C ATOM 1224 OG SER A 80 -15.810 -7.931 1.859 1.00 0.00 O ATOM 0 H SER A 80 -15.669 -4.167 2.764 1.00 0.00 H new ATOM 0 HA SER A 80 -17.511 -6.254 3.285 1.00 0.00 H new ATOM 0 HB2 SER A 80 -16.471 -6.116 1.136 1.00 0.00 H new ATOM 0 HB3 SER A 80 -14.860 -6.101 1.827 1.00 0.00 H new ATOM 0 HG SER A 80 -16.067 -8.210 0.956 1.00 0.00 H new ATOM 1230 N LEU A 81 -14.702 -6.232 4.948 1.00 0.00 N ATOM 1231 CA LEU A 81 -13.977 -6.843 6.049 1.00 0.00 C ATOM 1232 C LEU A 81 -14.222 -6.035 7.325 1.00 0.00 C ATOM 1233 O LEU A 81 -13.965 -6.517 8.427 1.00 0.00 O ATOM 1234 CB LEU A 81 -12.497 -6.999 5.694 1.00 0.00 C ATOM 1235 CG LEU A 81 -12.158 -6.972 4.202 1.00 0.00 C ATOM 1236 CD1 LEU A 81 -10.652 -6.818 3.985 1.00 0.00 C ATOM 1237 CD2 LEU A 81 -12.717 -8.207 3.491 1.00 0.00 C ATOM 0 H LEU A 81 -14.309 -5.352 4.614 1.00 0.00 H new ATOM 0 HA LEU A 81 -14.344 -7.852 6.235 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -11.940 -6.203 6.187 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -12.142 -7.942 6.110 1.00 0.00 H new ATOM 0 HG LEU A 81 -12.638 -6.100 3.758 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -10.438 -6.802 2.916 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -10.313 -5.886 4.437 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -10.130 -7.656 4.447 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -12.462 -8.164 2.432 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -12.286 -9.106 3.931 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -13.801 -8.232 3.603 1.00 0.00 H new ATOM 1249 N ASN A 82 -14.715 -4.820 7.133 1.00 0.00 N ATOM 1250 CA ASN A 82 -14.997 -3.941 8.255 1.00 0.00 C ATOM 1251 C ASN A 82 -13.678 -3.450 8.856 1.00 0.00 C ATOM 1252 O ASN A 82 -13.386 -3.716 10.021 1.00 0.00 O ATOM 1253 CB ASN A 82 -15.771 -4.677 9.351 1.00 0.00 C ATOM 1254 CG ASN A 82 -16.579 -3.697 10.204 1.00 0.00 C ATOM 1255 OD1 ASN A 82 -17.131 -2.723 9.720 1.00 0.00 O ATOM 1256 ND2 ASN A 82 -16.617 -4.009 11.496 1.00 0.00 N ATOM 0 H ASN A 82 -14.926 -4.424 6.217 1.00 0.00 H new ATOM 0 HA ASN A 82 -15.596 -3.108 7.888 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -16.440 -5.409 8.899 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -15.076 -5.229 9.984 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -17.131 -3.417 12.149 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -16.132 -4.840 11.834 1.00 0.00 H new ATOM 1263 N LEU A 83 -12.917 -2.742 8.034 1.00 0.00 N ATOM 1264 CA LEU A 83 -11.637 -2.212 8.470 1.00 0.00 C ATOM 1265 C LEU A 83 -11.851 -0.843 9.120 1.00 0.00 C ATOM 1266 O LEU A 83 -12.123 0.139 8.432 1.00 0.00 O ATOM 1267 CB LEU A 83 -10.642 -2.191 7.309 1.00 0.00 C ATOM 1268 CG LEU A 83 -10.361 -3.539 6.642 1.00 0.00 C ATOM 1269 CD1 LEU A 83 -10.118 -4.629 7.689 1.00 0.00 C ATOM 1270 CD2 LEU A 83 -11.483 -3.916 5.673 1.00 0.00 C ATOM 0 H LEU A 83 -13.163 -2.523 7.068 1.00 0.00 H new ATOM 0 HA LEU A 83 -11.195 -2.860 9.227 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -11.014 -1.503 6.550 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -9.698 -1.784 7.673 1.00 0.00 H new ATOM 0 HG LEU A 83 -9.447 -3.446 6.056 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -9.921 -5.577 7.188 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -9.260 -4.358 8.304 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -11.000 -4.729 8.321 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -11.258 -4.878 5.213 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -12.425 -3.985 6.217 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -11.566 -3.154 4.898 1.00 0.00 H new ATOM 1282 N ALA A 84 -11.721 -0.823 10.439 1.00 0.00 N ATOM 1283 CA ALA A 84 -11.898 0.409 11.189 1.00 0.00 C ATOM 1284 C ALA A 84 -10.526 1.005 11.512 1.00 0.00 C ATOM 1285 O ALA A 84 -9.499 0.368 11.284 1.00 0.00 O ATOM 1286 CB ALA A 84 -12.721 0.126 12.448 1.00 0.00 C ATOM 0 H ALA A 84 -11.495 -1.640 11.007 1.00 0.00 H new ATOM 0 HA ALA A 84 -12.446 1.143 10.598 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -12.854 1.050 13.011 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -13.696 -0.270 12.164 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -12.200 -0.604 13.067 1.00 0.00 H new ATOM 1292 N HIS A 85 -10.554 2.221 12.036 1.00 0.00 N ATOM 1293 CA HIS A 85 -9.325 2.911 12.392 1.00 0.00 C ATOM 1294 C HIS A 85 -8.590 2.122 13.477 1.00 0.00 C ATOM 1295 O HIS A 85 -9.024 2.089 14.628 1.00 0.00 O ATOM 1296 CB HIS A 85 -9.613 4.357 12.802 1.00 0.00 C ATOM 1297 CG HIS A 85 -8.379 5.218 12.924 1.00 0.00 C ATOM 1298 ND1 HIS A 85 -8.313 6.508 12.428 1.00 0.00 N ATOM 1299 CD2 HIS A 85 -7.165 4.961 13.490 1.00 0.00 C ATOM 1300 CE1 HIS A 85 -7.109 6.996 12.688 1.00 0.00 C ATOM 1301 NE2 HIS A 85 -6.399 6.035 13.346 1.00 0.00 N ATOM 0 H HIS A 85 -11.408 2.747 12.223 1.00 0.00 H new ATOM 0 HA HIS A 85 -8.669 2.965 11.523 1.00 0.00 H new ATOM 0 HB2 HIS A 85 -10.285 4.805 12.070 1.00 0.00 H new ATOM 0 HB3 HIS A 85 -10.138 4.355 13.757 1.00 0.00 H new ATOM 0 HD1 HIS A 85 -9.064 7.000 11.944 1.00 0.00 H new ATOM 0 HD2 HIS A 85 -6.876 4.040 13.973 1.00 0.00 H new ATOM 0 HE1 HIS A 85 -6.753 7.981 12.425 1.00 0.00 H new ATOM 1309 N GLY A 86 -7.489 1.506 13.073 1.00 0.00 N ATOM 1310 CA GLY A 86 -6.689 0.720 13.996 1.00 0.00 C ATOM 1311 C GLY A 86 -6.636 -0.747 13.564 1.00 0.00 C ATOM 1312 O GLY A 86 -5.859 -1.531 14.107 1.00 0.00 O ATOM 0 H GLY A 86 -7.132 1.535 12.118 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -5.678 1.126 14.043 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -7.109 0.792 14.999 1.00 0.00 H new ATOM 1316 N SER A 87 -7.473 -1.074 12.590 1.00 0.00 N ATOM 1317 CA SER A 87 -7.531 -2.433 12.079 1.00 0.00 C ATOM 1318 C SER A 87 -6.153 -2.862 11.573 1.00 0.00 C ATOM 1319 O SER A 87 -5.228 -2.052 11.518 1.00 0.00 O ATOM 1320 CB SER A 87 -8.569 -2.557 10.961 1.00 0.00 C ATOM 1321 OG SER A 87 -8.728 -3.905 10.527 1.00 0.00 O ATOM 0 H SER A 87 -8.116 -0.422 12.142 1.00 0.00 H new ATOM 0 HA SER A 87 -7.833 -3.092 12.894 1.00 0.00 H new ATOM 0 HB2 SER A 87 -9.527 -2.174 11.312 1.00 0.00 H new ATOM 0 HB3 SER A 87 -8.268 -1.937 10.116 1.00 0.00 H new ATOM 0 HG SER A 87 -9.681 -4.135 10.517 1.00 0.00 H new ATOM 1327 N MET A 88 -6.057 -4.134 11.216 1.00 0.00 N ATOM 1328 CA MET A 88 -4.807 -4.680 10.717 1.00 0.00 C ATOM 1329 C MET A 88 -4.929 -5.070 9.242 1.00 0.00 C ATOM 1330 O MET A 88 -5.986 -5.517 8.800 1.00 0.00 O ATOM 1331 CB MET A 88 -4.421 -5.910 11.541 1.00 0.00 C ATOM 1332 CG MET A 88 -3.058 -6.454 11.110 1.00 0.00 C ATOM 1333 SD MET A 88 -1.764 -5.691 12.074 1.00 0.00 S ATOM 1334 CE MET A 88 -0.816 -4.924 10.771 1.00 0.00 C ATOM 0 H MET A 88 -6.826 -4.803 11.263 1.00 0.00 H new ATOM 0 HA MET A 88 -4.036 -3.915 10.808 1.00 0.00 H new ATOM 0 HB2 MET A 88 -4.394 -5.649 12.599 1.00 0.00 H new ATOM 0 HB3 MET A 88 -5.179 -6.684 11.422 1.00 0.00 H new ATOM 0 HG2 MET A 88 -3.031 -7.536 11.241 1.00 0.00 H new ATOM 0 HG3 MET A 88 -2.897 -6.257 10.050 1.00 0.00 H new ATOM 0 HE1 MET A 88 0.246 -5.095 10.945 1.00 0.00 H new ATOM 0 HE2 MET A 88 -1.101 -5.356 9.811 1.00 0.00 H new ATOM 0 HE3 MET A 88 -1.014 -3.852 10.759 1.00 0.00 H new ATOM 1344 N VAL A 89 -3.832 -4.887 8.522 1.00 0.00 N ATOM 1345 CA VAL A 89 -3.803 -5.215 7.107 1.00 0.00 C ATOM 1346 C VAL A 89 -2.374 -5.585 6.703 1.00 0.00 C ATOM 1347 O VAL A 89 -1.414 -5.159 7.343 1.00 0.00 O ATOM 1348 CB VAL A 89 -4.373 -4.054 6.289 1.00 0.00 C ATOM 1349 CG1 VAL A 89 -4.488 -4.429 4.811 1.00 0.00 C ATOM 1350 CG2 VAL A 89 -5.725 -3.603 6.847 1.00 0.00 C ATOM 0 H VAL A 89 -2.957 -4.516 8.892 1.00 0.00 H new ATOM 0 HA VAL A 89 -4.434 -6.080 6.903 1.00 0.00 H new ATOM 0 HB VAL A 89 -3.681 -3.216 6.369 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -4.896 -3.586 4.252 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -3.501 -4.679 4.421 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -5.149 -5.289 4.704 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -6.109 -2.777 6.248 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -6.429 -4.434 6.812 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -5.602 -3.276 7.879 1.00 0.00 H new ATOM 1360 N TYR A 90 -2.279 -6.375 5.643 1.00 0.00 N ATOM 1361 CA TYR A 90 -0.984 -6.808 5.146 1.00 0.00 C ATOM 1362 C TYR A 90 -0.819 -6.455 3.667 1.00 0.00 C ATOM 1363 O TYR A 90 -1.699 -6.738 2.855 1.00 0.00 O ATOM 1364 CB TYR A 90 -0.960 -8.330 5.301 1.00 0.00 C ATOM 1365 CG TYR A 90 -0.968 -8.808 6.755 1.00 0.00 C ATOM 1366 CD1 TYR A 90 0.221 -8.950 7.441 1.00 0.00 C ATOM 1367 CD2 TYR A 90 -2.164 -9.097 7.379 1.00 0.00 C ATOM 1368 CE1 TYR A 90 0.214 -9.400 8.809 1.00 0.00 C ATOM 1369 CE2 TYR A 90 -2.172 -9.547 8.747 1.00 0.00 C ATOM 1370 CZ TYR A 90 -0.982 -9.676 9.394 1.00 0.00 C ATOM 1371 OH TYR A 90 -0.989 -10.101 10.686 1.00 0.00 O ATOM 0 H TYR A 90 -3.078 -6.726 5.115 1.00 0.00 H new ATOM 0 HA TYR A 90 -0.179 -6.319 5.695 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -1.824 -8.751 4.786 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -0.072 -8.721 4.806 1.00 0.00 H new ATOM 0 HD1 TYR A 90 1.157 -8.724 6.952 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -3.094 -8.986 6.842 1.00 0.00 H new ATOM 0 HE1 TYR A 90 1.137 -9.516 9.357 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -3.101 -9.777 9.248 1.00 0.00 H new ATOM 0 HH TYR A 90 -1.912 -10.259 10.973 1.00 0.00 H new ATOM 1381 N LEU A 91 0.315 -5.842 3.361 1.00 0.00 N ATOM 1382 CA LEU A 91 0.607 -5.447 1.993 1.00 0.00 C ATOM 1383 C LEU A 91 1.689 -6.367 1.422 1.00 0.00 C ATOM 1384 O LEU A 91 2.477 -6.943 2.169 1.00 0.00 O ATOM 1385 CB LEU A 91 0.967 -3.962 1.930 1.00 0.00 C ATOM 1386 CG LEU A 91 1.440 -3.444 0.570 1.00 0.00 C ATOM 1387 CD1 LEU A 91 0.278 -3.363 -0.421 1.00 0.00 C ATOM 1388 CD2 LEU A 91 2.164 -2.104 0.715 1.00 0.00 C ATOM 0 H LEU A 91 1.043 -5.609 4.037 1.00 0.00 H new ATOM 0 HA LEU A 91 -0.276 -5.564 1.365 1.00 0.00 H new ATOM 0 HB2 LEU A 91 0.094 -3.384 2.233 1.00 0.00 H new ATOM 0 HB3 LEU A 91 1.750 -3.767 2.663 1.00 0.00 H new ATOM 0 HG LEU A 91 2.159 -4.156 0.165 1.00 0.00 H new ATOM 0 HD11 LEU A 91 0.642 -2.992 -1.379 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -0.154 -4.354 -0.556 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -0.483 -2.685 -0.035 1.00 0.00 H new ATOM 0 HD21 LEU A 91 2.490 -1.758 -0.266 1.00 0.00 H new ATOM 0 HD22 LEU A 91 1.487 -1.370 1.152 1.00 0.00 H new ATOM 0 HD23 LEU A 91 3.032 -2.228 1.363 1.00 0.00 H new ATOM 1400 N ALA A 92 1.691 -6.475 0.101 1.00 0.00 N ATOM 1401 CA ALA A 92 2.662 -7.314 -0.579 1.00 0.00 C ATOM 1402 C ALA A 92 2.927 -6.750 -1.976 1.00 0.00 C ATOM 1403 O ALA A 92 1.995 -6.530 -2.748 1.00 0.00 O ATOM 1404 CB ALA A 92 2.152 -8.756 -0.619 1.00 0.00 C ATOM 0 H ALA A 92 1.035 -5.995 -0.516 1.00 0.00 H new ATOM 0 HA ALA A 92 3.610 -7.319 -0.040 1.00 0.00 H new ATOM 0 HB1 ALA A 92 2.881 -9.386 -1.129 1.00 0.00 H new ATOM 0 HB2 ALA A 92 2.008 -9.119 0.399 1.00 0.00 H new ATOM 0 HB3 ALA A 92 1.203 -8.792 -1.155 1.00 0.00 H new ATOM 1410 N TYR A 93 4.203 -6.533 -2.260 1.00 0.00 N ATOM 1411 CA TYR A 93 4.602 -5.999 -3.551 1.00 0.00 C ATOM 1412 C TYR A 93 5.944 -6.585 -3.996 1.00 0.00 C ATOM 1413 O TYR A 93 6.800 -6.885 -3.165 1.00 0.00 O ATOM 1414 CB TYR A 93 4.759 -4.490 -3.353 1.00 0.00 C ATOM 1415 CG TYR A 93 5.736 -4.107 -2.239 1.00 0.00 C ATOM 1416 CD1 TYR A 93 5.406 -4.345 -0.920 1.00 0.00 C ATOM 1417 CD2 TYR A 93 6.946 -3.524 -2.553 1.00 0.00 C ATOM 1418 CE1 TYR A 93 6.325 -3.985 0.129 1.00 0.00 C ATOM 1419 CE2 TYR A 93 7.865 -3.163 -1.504 1.00 0.00 C ATOM 1420 CZ TYR A 93 7.509 -3.412 -0.215 1.00 0.00 C ATOM 1421 OH TYR A 93 8.377 -3.071 0.775 1.00 0.00 O ATOM 0 H TYR A 93 4.974 -6.717 -1.618 1.00 0.00 H new ATOM 0 HA TYR A 93 3.863 -6.246 -4.313 1.00 0.00 H new ATOM 0 HB2 TYR A 93 5.098 -4.044 -4.288 1.00 0.00 H new ATOM 0 HB3 TYR A 93 3.783 -4.060 -3.130 1.00 0.00 H new ATOM 0 HD1 TYR A 93 4.458 -4.801 -0.674 1.00 0.00 H new ATOM 0 HD2 TYR A 93 7.204 -3.338 -3.585 1.00 0.00 H new ATOM 0 HE1 TYR A 93 6.079 -4.166 1.165 1.00 0.00 H new ATOM 0 HE2 TYR A 93 8.815 -2.705 -1.736 1.00 0.00 H new ATOM 0 HH TYR A 93 9.182 -2.673 0.382 1.00 0.00 H new ATOM 1431 N GLU A 94 6.084 -6.732 -5.305 1.00 0.00 N ATOM 1432 CA GLU A 94 7.307 -7.277 -5.870 1.00 0.00 C ATOM 1433 C GLU A 94 8.292 -6.151 -6.189 1.00 0.00 C ATOM 1434 O GLU A 94 7.909 -5.126 -6.750 1.00 0.00 O ATOM 1435 CB GLU A 94 7.009 -8.114 -7.116 1.00 0.00 C ATOM 1436 CG GLU A 94 6.978 -7.238 -8.370 1.00 0.00 C ATOM 1437 CD GLU A 94 6.168 -7.905 -9.484 1.00 0.00 C ATOM 1438 OE1 GLU A 94 5.218 -8.638 -9.134 1.00 0.00 O ATOM 1439 OE2 GLU A 94 6.516 -7.666 -10.660 1.00 0.00 O ATOM 0 H GLU A 94 5.371 -6.483 -5.991 1.00 0.00 H new ATOM 0 HA GLU A 94 7.764 -7.935 -5.131 1.00 0.00 H new ATOM 0 HB2 GLU A 94 7.767 -8.889 -7.228 1.00 0.00 H new ATOM 0 HB3 GLU A 94 6.051 -8.620 -6.998 1.00 0.00 H new ATOM 0 HG2 GLU A 94 6.543 -6.268 -8.130 1.00 0.00 H new ATOM 0 HG3 GLU A 94 7.995 -7.054 -8.715 1.00 0.00 H new ATOM 1446 N GLY A 95 9.543 -6.379 -5.816 1.00 0.00 N ATOM 1447 CA GLY A 95 10.587 -5.397 -6.056 1.00 0.00 C ATOM 1448 C GLY A 95 10.475 -4.229 -5.074 1.00 0.00 C ATOM 1449 O GLY A 95 9.543 -4.173 -4.273 1.00 0.00 O ATOM 0 H GLY A 95 9.857 -7.230 -5.349 1.00 0.00 H new ATOM 0 HA2 GLY A 95 11.565 -5.868 -5.957 1.00 0.00 H new ATOM 0 HA3 GLY A 95 10.515 -5.026 -7.078 1.00 0.00 H new ATOM 1453 N GLU A 96 11.439 -3.324 -5.168 1.00 0.00 N ATOM 1454 CA GLU A 96 11.461 -2.161 -4.298 1.00 0.00 C ATOM 1455 C GLU A 96 10.337 -1.194 -4.677 1.00 0.00 C ATOM 1456 O GLU A 96 9.491 -1.515 -5.510 1.00 0.00 O ATOM 1457 CB GLU A 96 12.822 -1.465 -4.348 1.00 0.00 C ATOM 1458 CG GLU A 96 13.743 -1.983 -3.241 1.00 0.00 C ATOM 1459 CD GLU A 96 14.463 -0.828 -2.541 1.00 0.00 C ATOM 1460 OE1 GLU A 96 13.766 -0.078 -1.823 1.00 0.00 O ATOM 1461 OE2 GLU A 96 15.692 -0.722 -2.739 1.00 0.00 O ATOM 0 H GLU A 96 12.210 -3.373 -5.834 1.00 0.00 H new ATOM 0 HA GLU A 96 11.298 -2.495 -3.273 1.00 0.00 H new ATOM 0 HB2 GLU A 96 13.285 -1.634 -5.320 1.00 0.00 H new ATOM 0 HB3 GLU A 96 12.688 -0.389 -4.241 1.00 0.00 H new ATOM 0 HG2 GLU A 96 13.160 -2.548 -2.513 1.00 0.00 H new ATOM 0 HG3 GLU A 96 14.476 -2.670 -3.664 1.00 0.00 H new ATOM 1468 N ARG A 97 10.364 -0.029 -4.046 1.00 0.00 N ATOM 1469 CA ARG A 97 9.358 0.987 -4.307 1.00 0.00 C ATOM 1470 C ARG A 97 9.792 1.877 -5.473 1.00 0.00 C ATOM 1471 O ARG A 97 10.957 1.865 -5.868 1.00 0.00 O ATOM 1472 CB ARG A 97 9.121 1.857 -3.071 1.00 0.00 C ATOM 1473 CG ARG A 97 8.819 0.995 -1.843 1.00 0.00 C ATOM 1474 CD ARG A 97 8.447 1.865 -0.641 1.00 0.00 C ATOM 1475 NE ARG A 97 9.364 1.588 0.488 1.00 0.00 N ATOM 1476 CZ ARG A 97 9.437 2.335 1.597 1.00 0.00 C ATOM 1477 NH1 ARG A 97 8.648 3.410 1.734 1.00 0.00 N ATOM 1478 NH2 ARG A 97 10.298 2.008 2.570 1.00 0.00 N ATOM 0 H ARG A 97 11.067 0.234 -3.355 1.00 0.00 H new ATOM 0 HA ARG A 97 8.429 0.476 -4.562 1.00 0.00 H new ATOM 0 HB2 ARG A 97 10.001 2.472 -2.881 1.00 0.00 H new ATOM 0 HB3 ARG A 97 8.290 2.538 -3.255 1.00 0.00 H new ATOM 0 HG2 ARG A 97 8.002 0.310 -2.067 1.00 0.00 H new ATOM 0 HG3 ARG A 97 9.689 0.385 -1.600 1.00 0.00 H new ATOM 0 HD2 ARG A 97 8.501 2.919 -0.914 1.00 0.00 H new ATOM 0 HD3 ARG A 97 7.418 1.666 -0.342 1.00 0.00 H new ATOM 0 HE ARG A 97 9.979 0.777 0.417 1.00 0.00 H new ATOM 0 HH11 ARG A 97 7.992 3.659 0.994 1.00 0.00 H new ATOM 0 HH12 ARG A 97 8.704 3.979 2.579 1.00 0.00 H new ATOM 0 HH21 ARG A 97 10.898 1.190 2.466 1.00 0.00 H new ATOM 0 HH22 ARG A 97 10.353 2.577 3.415 1.00 0.00 H new ATOM 1492 N THR A 98 8.831 2.628 -5.992 1.00 0.00 N ATOM 1493 CA THR A 98 9.099 3.522 -7.105 1.00 0.00 C ATOM 1494 C THR A 98 9.593 4.877 -6.594 1.00 0.00 C ATOM 1495 O THR A 98 9.915 5.020 -5.415 1.00 0.00 O ATOM 1496 CB THR A 98 7.828 3.618 -7.951 1.00 0.00 C ATOM 1497 OG1 THR A 98 6.774 3.637 -6.992 1.00 0.00 O ATOM 1498 CG2 THR A 98 7.569 2.349 -8.766 1.00 0.00 C ATOM 0 H THR A 98 7.866 2.635 -5.662 1.00 0.00 H new ATOM 0 HA THR A 98 9.899 3.137 -7.737 1.00 0.00 H new ATOM 0 HB THR A 98 7.904 4.472 -8.625 1.00 0.00 H new ATOM 0 HG1 THR A 98 5.912 3.699 -7.454 1.00 0.00 H new ATOM 0 HG21 THR A 98 6.655 2.470 -9.348 1.00 0.00 H new ATOM 0 HG22 THR A 98 8.407 2.172 -9.440 1.00 0.00 H new ATOM 0 HG23 THR A 98 7.459 1.500 -8.092 1.00 0.00 H new