USER MOD reduce.3.24.130724 H: found=0, std=0, add=541, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 541 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 57 THR OG1 : rot 180:sc= 0.889 USER MOD Set 1.2: A 60 ASN :FLIP amide:sc= -6.04! C(o=-8.5!,f=-5.1!) USER MOD Set 2.1: A 21 SER OG : rot 145:sc= -3.97! USER MOD Set 2.2: A 59 GLN : amide:sc= -3.81! C(o=-7.8!,f=-8.3!) USER MOD Single : A 3 MET CE :methyl -131:sc=-0.00985 (180deg=-0.185) USER MOD Single : A 23 THR OG1 : rot -98:sc= -2.35 USER MOD Single : A 24 SER OG : rot 180:sc= 0.0248 USER MOD Single : A 27 GLN : amide:sc= -0.157 K(o=-0.16,f=-2.3!) USER MOD Single : A 29 LYS NZ :NH3+ -146:sc= -1.35 (180deg=-3.12!) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 GLN : amide:sc= -1.25 K(o=-1.2,f=-8.2!) USER MOD Single : A 42 GLN : amide:sc= -0.0958 K(o=-0.096,f=-1.7) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN : amide:sc= -1.96 K(o=-2,f=-3.7!) USER MOD Single : A 55 HIS :FLIP no HD1:sc= -4.19! C(o=-5!,f=-4.2!) USER MOD Single : A 61 CYS SG : rot -141:sc= -1.05 USER MOD Single : A 65 GLN : amide:sc= -1.05 X(o=-1.1,f=-0.55) USER MOD Single : A 66 GLN : amide:sc= -0.272 K(o=-0.27,f=-2.4!) USER MOD Single : A 67 SER OG : rot -101:sc= 0.404 USER MOD Single : A 70 HIS :FLIP no HD1:sc= -0.667 F(o=-1.9!,f=-0.67) USER MOD Single : A 73 GLN : amide:sc= -0.204 X(o=-0.2,f=-0.048) USER MOD ----------------------------------------------------------------- ATOM 27 N MET A 3 6.951 -10.897 24.914 1.00 0.00 N ATOM 28 CA MET A 3 5.812 -11.084 25.847 1.00 0.00 C ATOM 29 C MET A 3 4.537 -10.616 25.145 1.00 0.00 C ATOM 30 O MET A 3 4.579 -9.995 24.096 1.00 0.00 O ATOM 31 CB MET A 3 6.086 -10.303 27.152 1.00 0.00 C ATOM 32 CG MET A 3 4.834 -9.569 27.672 1.00 0.00 C ATOM 33 SD MET A 3 3.922 -10.653 28.799 1.00 0.00 S ATOM 34 CE MET A 3 4.959 -10.381 30.259 1.00 0.00 C ATOM 0 HA MET A 3 5.688 -12.132 26.119 1.00 0.00 H new ATOM 0 HB2 MET A 3 6.443 -10.993 27.917 1.00 0.00 H new ATOM 0 HB3 MET A 3 6.882 -9.579 26.979 1.00 0.00 H new ATOM 0 HG2 MET A 3 5.124 -8.653 28.187 1.00 0.00 H new ATOM 0 HG3 MET A 3 4.197 -9.277 26.837 1.00 0.00 H new ATOM 0 HE1 MET A 3 5.227 -11.342 30.699 1.00 0.00 H new ATOM 0 HE2 MET A 3 5.865 -9.849 29.968 1.00 0.00 H new ATOM 0 HE3 MET A 3 4.410 -9.788 30.990 1.00 0.00 H new ATOM 44 N ILE A 4 3.405 -10.951 25.687 1.00 0.00 N ATOM 45 CA ILE A 4 2.122 -10.572 25.041 1.00 0.00 C ATOM 46 C ILE A 4 1.864 -9.069 25.133 1.00 0.00 C ATOM 47 O ILE A 4 2.119 -8.435 26.137 1.00 0.00 O ATOM 48 CB ILE A 4 0.977 -11.272 25.762 1.00 0.00 C ATOM 49 CG1 ILE A 4 0.300 -12.267 24.814 1.00 0.00 C ATOM 50 CG2 ILE A 4 -0.034 -10.208 26.194 1.00 0.00 C ATOM 51 CD1 ILE A 4 1.141 -13.540 24.720 1.00 0.00 C ATOM 0 H ILE A 4 3.312 -11.475 26.557 1.00 0.00 H new ATOM 0 HA ILE A 4 2.184 -10.863 23.993 1.00 0.00 H new ATOM 0 HB ILE A 4 1.353 -11.814 26.630 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -0.700 -12.506 25.175 1.00 0.00 H new ATOM 0 HG13 ILE A 4 0.184 -11.822 23.826 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -0.865 -10.685 26.713 1.00 0.00 H new ATOM 0 HG22 ILE A 4 0.450 -9.496 26.862 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -0.409 -9.684 25.315 1.00 0.00 H new ATOM 0 HD11 ILE A 4 0.658 -14.246 24.045 1.00 0.00 H new ATOM 0 HD12 ILE A 4 2.132 -13.294 24.339 1.00 0.00 H new ATOM 0 HD13 ILE A 4 1.234 -13.989 25.709 1.00 0.00 H new ATOM 63 N VAL A 5 1.283 -8.525 24.104 1.00 0.00 N ATOM 64 CA VAL A 5 0.902 -7.095 24.107 1.00 0.00 C ATOM 65 C VAL A 5 -0.614 -7.083 24.210 1.00 0.00 C ATOM 66 O VAL A 5 -1.252 -8.088 23.966 1.00 0.00 O ATOM 67 CB VAL A 5 1.326 -6.414 22.805 1.00 0.00 C ATOM 68 CG1 VAL A 5 1.682 -4.956 23.089 1.00 0.00 C ATOM 69 CG2 VAL A 5 2.546 -7.125 22.213 1.00 0.00 C ATOM 0 H VAL A 5 1.053 -9.025 23.245 1.00 0.00 H new ATOM 0 HA VAL A 5 1.384 -6.560 24.925 1.00 0.00 H new ATOM 0 HB VAL A 5 0.502 -6.463 22.093 1.00 0.00 H new ATOM 0 HG11 VAL A 5 1.985 -4.468 22.162 1.00 0.00 H new ATOM 0 HG12 VAL A 5 0.813 -4.443 23.502 1.00 0.00 H new ATOM 0 HG13 VAL A 5 2.502 -4.915 23.805 1.00 0.00 H new ATOM 0 HG21 VAL A 5 2.840 -6.632 21.286 1.00 0.00 H new ATOM 0 HG22 VAL A 5 3.372 -7.084 22.924 1.00 0.00 H new ATOM 0 HG23 VAL A 5 2.296 -8.166 22.007 1.00 0.00 H new ATOM 79 N PHE A 6 -1.218 -5.998 24.562 1.00 0.00 N ATOM 80 CA PHE A 6 -2.691 -6.019 24.657 1.00 0.00 C ATOM 81 C PHE A 6 -3.288 -5.429 23.388 1.00 0.00 C ATOM 82 O PHE A 6 -3.079 -4.283 23.064 1.00 0.00 O ATOM 83 CB PHE A 6 -3.139 -5.214 25.865 1.00 0.00 C ATOM 84 CG PHE A 6 -4.532 -5.637 26.259 1.00 0.00 C ATOM 85 CD1 PHE A 6 -4.867 -6.998 26.312 1.00 0.00 C ATOM 86 CD2 PHE A 6 -5.491 -4.667 26.575 1.00 0.00 C ATOM 87 CE1 PHE A 6 -6.160 -7.385 26.683 1.00 0.00 C ATOM 88 CE2 PHE A 6 -6.784 -5.056 26.945 1.00 0.00 C ATOM 89 CZ PHE A 6 -7.118 -6.416 26.999 1.00 0.00 C ATOM 0 H PHE A 6 -0.767 -5.111 24.785 1.00 0.00 H new ATOM 0 HA PHE A 6 -3.034 -7.047 24.771 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -2.451 -5.370 26.696 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -3.122 -4.149 25.633 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -4.128 -7.747 26.067 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -5.233 -3.619 26.533 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -6.418 -8.433 26.725 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -7.524 -4.308 27.189 1.00 0.00 H new ATOM 0 HZ PHE A 6 -8.115 -6.716 27.285 1.00 0.00 H new ATOM 99 N VAL A 7 -4.032 -6.212 22.670 1.00 0.00 N ATOM 100 CA VAL A 7 -4.656 -5.708 21.420 1.00 0.00 C ATOM 101 C VAL A 7 -6.141 -5.500 21.679 1.00 0.00 C ATOM 102 O VAL A 7 -6.873 -6.451 21.870 1.00 0.00 O ATOM 103 CB VAL A 7 -4.471 -6.752 20.313 1.00 0.00 C ATOM 104 CG1 VAL A 7 -5.495 -6.520 19.190 1.00 0.00 C ATOM 105 CG2 VAL A 7 -3.053 -6.634 19.746 1.00 0.00 C ATOM 0 H VAL A 7 -4.237 -7.186 22.895 1.00 0.00 H new ATOM 0 HA VAL A 7 -4.194 -4.770 21.113 1.00 0.00 H new ATOM 0 HB VAL A 7 -4.623 -7.748 20.728 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -5.354 -7.267 18.409 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -6.504 -6.603 19.594 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -5.354 -5.524 18.769 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -2.914 -7.374 18.958 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -2.907 -5.635 19.336 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -2.328 -6.809 20.541 1.00 0.00 H new ATOM 115 N ARG A 8 -6.620 -4.286 21.685 1.00 0.00 N ATOM 116 CA ARG A 8 -8.069 -4.122 21.928 1.00 0.00 C ATOM 117 C ARG A 8 -8.810 -4.424 20.627 1.00 0.00 C ATOM 118 O ARG A 8 -8.871 -3.625 19.715 1.00 0.00 O ATOM 119 CB ARG A 8 -8.365 -2.709 22.426 1.00 0.00 C ATOM 120 CG ARG A 8 -8.274 -2.695 23.957 1.00 0.00 C ATOM 121 CD ARG A 8 -6.892 -2.197 24.388 1.00 0.00 C ATOM 122 NE ARG A 8 -6.898 -0.707 24.423 1.00 0.00 N ATOM 123 CZ ARG A 8 -7.861 -0.077 25.040 1.00 0.00 C ATOM 124 NH1 ARG A 8 -8.416 -0.609 26.095 1.00 0.00 N ATOM 125 NH2 ARG A 8 -8.268 1.084 24.604 1.00 0.00 N ATOM 0 H ARG A 8 -6.086 -3.430 21.537 1.00 0.00 H new ATOM 0 HA ARG A 8 -8.406 -4.813 22.701 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -7.654 -2.002 21.999 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -9.358 -2.396 22.104 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -9.049 -2.050 24.371 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -8.449 -3.696 24.350 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -6.639 -2.595 25.371 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -6.131 -2.554 23.694 1.00 0.00 H new ATOM 0 HE ARG A 8 -6.153 -0.181 23.967 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -8.097 -1.516 26.436 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -9.168 -0.118 26.578 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -7.834 1.500 23.780 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -9.020 1.575 25.087 1.00 0.00 H new ATOM 139 N PHE A 9 -9.344 -5.607 20.544 1.00 0.00 N ATOM 140 CA PHE A 9 -10.056 -6.054 19.318 1.00 0.00 C ATOM 141 C PHE A 9 -11.495 -5.526 19.292 1.00 0.00 C ATOM 142 O PHE A 9 -12.209 -5.571 20.274 1.00 0.00 O ATOM 143 CB PHE A 9 -10.081 -7.579 19.327 1.00 0.00 C ATOM 144 CG PHE A 9 -9.247 -8.192 18.215 1.00 0.00 C ATOM 145 CD1 PHE A 9 -8.741 -7.442 17.121 1.00 0.00 C ATOM 146 CD2 PHE A 9 -9.013 -9.573 18.268 1.00 0.00 C ATOM 147 CE1 PHE A 9 -8.030 -8.085 16.132 1.00 0.00 C ATOM 148 CE2 PHE A 9 -8.278 -10.204 17.263 1.00 0.00 C ATOM 149 CZ PHE A 9 -7.791 -9.460 16.196 1.00 0.00 C ATOM 0 H PHE A 9 -9.316 -6.299 21.292 1.00 0.00 H new ATOM 0 HA PHE A 9 -9.541 -5.670 18.437 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -9.714 -7.937 20.289 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -11.112 -7.921 19.232 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -8.912 -6.377 17.065 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -9.404 -10.152 19.091 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -7.652 -7.518 15.294 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -8.089 -11.266 17.315 1.00 0.00 H new ATOM 0 HZ PHE A 9 -7.226 -9.946 15.414 1.00 0.00 H new ATOM 223 N PHE A 15 -7.627 -9.133 22.529 1.00 0.00 N ATOM 224 CA PHE A 15 -7.013 -10.473 22.318 1.00 0.00 C ATOM 225 C PHE A 15 -5.503 -10.337 22.540 1.00 0.00 C ATOM 226 O PHE A 15 -4.900 -9.384 22.089 1.00 0.00 O ATOM 227 CB PHE A 15 -7.300 -10.954 20.890 1.00 0.00 C ATOM 228 CG PHE A 15 -6.060 -10.816 20.036 1.00 0.00 C ATOM 229 CD1 PHE A 15 -5.064 -11.801 20.082 1.00 0.00 C ATOM 230 CD2 PHE A 15 -5.907 -9.708 19.192 1.00 0.00 C ATOM 231 CE1 PHE A 15 -3.918 -11.676 19.289 1.00 0.00 C ATOM 232 CE2 PHE A 15 -4.760 -9.589 18.400 1.00 0.00 C ATOM 233 CZ PHE A 15 -3.767 -10.570 18.449 1.00 0.00 C ATOM 0 HA PHE A 15 -7.430 -11.202 23.013 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -7.625 -11.994 20.907 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -8.115 -10.372 20.459 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -5.181 -12.657 20.730 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -6.673 -8.948 19.153 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -3.150 -12.435 19.326 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -4.642 -8.736 17.749 1.00 0.00 H new ATOM 0 HZ PHE A 15 -2.882 -10.473 17.837 1.00 0.00 H new ATOM 243 N PRO A 16 -4.939 -11.276 23.252 1.00 0.00 N ATOM 244 CA PRO A 16 -3.501 -11.259 23.573 1.00 0.00 C ATOM 245 C PRO A 16 -2.663 -11.678 22.362 1.00 0.00 C ATOM 246 O PRO A 16 -2.884 -12.713 21.766 1.00 0.00 O ATOM 247 CB PRO A 16 -3.374 -12.285 24.703 1.00 0.00 C ATOM 248 CG PRO A 16 -4.599 -13.221 24.577 1.00 0.00 C ATOM 249 CD PRO A 16 -5.670 -12.437 23.795 1.00 0.00 C ATOM 0 HA PRO A 16 -3.143 -10.269 23.854 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -2.444 -12.847 24.616 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -3.359 -11.793 25.675 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -4.333 -14.140 24.055 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -4.970 -13.509 25.561 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -6.106 -13.042 23.000 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -6.489 -12.125 24.443 1.00 0.00 H new ATOM 257 N VAL A 17 -1.694 -10.880 22.008 1.00 0.00 N ATOM 258 CA VAL A 17 -0.824 -11.220 20.848 1.00 0.00 C ATOM 259 C VAL A 17 0.605 -11.430 21.342 1.00 0.00 C ATOM 260 O VAL A 17 1.070 -10.735 22.214 1.00 0.00 O ATOM 261 CB VAL A 17 -0.835 -10.062 19.853 1.00 0.00 C ATOM 262 CG1 VAL A 17 -0.311 -8.802 20.544 1.00 0.00 C ATOM 263 CG2 VAL A 17 0.063 -10.403 18.662 1.00 0.00 C ATOM 0 H VAL A 17 -1.466 -10.002 22.475 1.00 0.00 H new ATOM 0 HA VAL A 17 -1.192 -12.126 20.367 1.00 0.00 H new ATOM 0 HB VAL A 17 -1.852 -9.891 19.500 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -0.316 -7.971 19.838 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -0.950 -8.561 21.394 1.00 0.00 H new ATOM 0 HG13 VAL A 17 0.707 -8.975 20.893 1.00 0.00 H new ATOM 0 HG21 VAL A 17 0.055 -9.576 17.952 1.00 0.00 H new ATOM 0 HG22 VAL A 17 1.082 -10.572 19.011 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -0.307 -11.304 18.174 1.00 0.00 H new ATOM 273 N GLU A 18 1.317 -12.369 20.795 1.00 0.00 N ATOM 274 CA GLU A 18 2.715 -12.575 21.258 1.00 0.00 C ATOM 275 C GLU A 18 3.674 -11.926 20.259 1.00 0.00 C ATOM 276 O GLU A 18 3.746 -12.322 19.113 1.00 0.00 O ATOM 277 CB GLU A 18 3.013 -14.073 21.359 1.00 0.00 C ATOM 278 CG GLU A 18 4.341 -14.275 22.092 1.00 0.00 C ATOM 279 CD GLU A 18 4.691 -15.764 22.124 1.00 0.00 C ATOM 280 OE1 GLU A 18 4.271 -16.472 21.225 1.00 0.00 O ATOM 281 OE2 GLU A 18 5.377 -16.170 23.049 1.00 0.00 O ATOM 0 H GLU A 18 0.999 -12.997 20.057 1.00 0.00 H new ATOM 0 HA GLU A 18 2.844 -12.121 22.240 1.00 0.00 H new ATOM 0 HB2 GLU A 18 2.209 -14.580 21.892 1.00 0.00 H new ATOM 0 HB3 GLU A 18 3.063 -14.514 20.363 1.00 0.00 H new ATOM 0 HG2 GLU A 18 5.132 -13.716 21.592 1.00 0.00 H new ATOM 0 HG3 GLU A 18 4.270 -13.886 23.108 1.00 0.00 H new ATOM 288 N VAL A 19 4.414 -10.932 20.679 1.00 0.00 N ATOM 289 CA VAL A 19 5.366 -10.271 19.736 1.00 0.00 C ATOM 290 C VAL A 19 6.572 -9.746 20.509 1.00 0.00 C ATOM 291 O VAL A 19 6.559 -9.653 21.720 1.00 0.00 O ATOM 292 CB VAL A 19 4.685 -9.098 19.021 1.00 0.00 C ATOM 293 CG1 VAL A 19 3.178 -9.142 19.276 1.00 0.00 C ATOM 294 CG2 VAL A 19 5.258 -7.782 19.552 1.00 0.00 C ATOM 0 H VAL A 19 4.401 -10.552 21.625 1.00 0.00 H new ATOM 0 HA VAL A 19 5.686 -11.005 18.997 1.00 0.00 H new ATOM 0 HB VAL A 19 4.868 -9.170 17.949 1.00 0.00 H new ATOM 0 HG11 VAL A 19 2.698 -8.307 18.766 1.00 0.00 H new ATOM 0 HG12 VAL A 19 2.772 -10.080 18.897 1.00 0.00 H new ATOM 0 HG13 VAL A 19 2.988 -9.071 20.347 1.00 0.00 H new ATOM 0 HG21 VAL A 19 4.776 -6.945 19.046 1.00 0.00 H new ATOM 0 HG22 VAL A 19 5.075 -7.712 20.624 1.00 0.00 H new ATOM 0 HG23 VAL A 19 6.331 -7.750 19.364 1.00 0.00 H new ATOM 304 N ASP A 20 7.613 -9.402 19.810 1.00 0.00 N ATOM 305 CA ASP A 20 8.832 -8.881 20.483 1.00 0.00 C ATOM 306 C ASP A 20 9.121 -7.463 19.992 1.00 0.00 C ATOM 307 O ASP A 20 8.398 -6.910 19.186 1.00 0.00 O ATOM 308 CB ASP A 20 10.022 -9.784 20.156 1.00 0.00 C ATOM 309 CG ASP A 20 9.779 -10.479 18.816 1.00 0.00 C ATOM 310 OD1 ASP A 20 9.020 -11.433 18.794 1.00 0.00 O ATOM 311 OD2 ASP A 20 10.358 -10.044 17.833 1.00 0.00 O ATOM 0 H ASP A 20 7.673 -9.460 18.793 1.00 0.00 H new ATOM 0 HA ASP A 20 8.671 -8.867 21.561 1.00 0.00 H new ATOM 0 HB2 ASP A 20 10.938 -9.195 20.112 1.00 0.00 H new ATOM 0 HB3 ASP A 20 10.157 -10.525 20.943 1.00 0.00 H new ATOM 316 N SER A 21 10.179 -6.874 20.474 1.00 0.00 N ATOM 317 CA SER A 21 10.544 -5.489 20.052 1.00 0.00 C ATOM 318 C SER A 21 10.870 -5.447 18.552 1.00 0.00 C ATOM 319 O SER A 21 11.152 -4.400 18.001 1.00 0.00 O ATOM 320 CB SER A 21 11.784 -5.061 20.832 1.00 0.00 C ATOM 321 OG SER A 21 11.645 -5.459 22.190 1.00 0.00 O ATOM 0 H SER A 21 10.815 -7.296 21.150 1.00 0.00 H new ATOM 0 HA SER A 21 9.705 -4.822 20.249 1.00 0.00 H new ATOM 0 HB2 SER A 21 12.675 -5.514 20.398 1.00 0.00 H new ATOM 0 HB3 SER A 21 11.912 -3.980 20.769 1.00 0.00 H new ATOM 0 HG SER A 21 12.521 -5.716 22.547 1.00 0.00 H new ATOM 327 N ASP A 22 10.855 -6.571 17.893 1.00 0.00 N ATOM 328 CA ASP A 22 11.187 -6.595 16.438 1.00 0.00 C ATOM 329 C ASP A 22 9.913 -6.540 15.586 1.00 0.00 C ATOM 330 O ASP A 22 9.899 -5.937 14.532 1.00 0.00 O ATOM 331 CB ASP A 22 11.955 -7.879 16.113 1.00 0.00 C ATOM 332 CG ASP A 22 13.317 -7.855 16.812 1.00 0.00 C ATOM 333 OD1 ASP A 22 13.445 -7.140 17.793 1.00 0.00 O ATOM 334 OD2 ASP A 22 14.209 -8.550 16.353 1.00 0.00 O ATOM 0 H ASP A 22 10.627 -7.478 18.299 1.00 0.00 H new ATOM 0 HA ASP A 22 11.799 -5.723 16.208 1.00 0.00 H new ATOM 0 HB2 ASP A 22 11.384 -8.748 16.438 1.00 0.00 H new ATOM 0 HB3 ASP A 22 12.090 -7.971 15.035 1.00 0.00 H new ATOM 339 N THR A 23 8.841 -7.163 16.020 1.00 0.00 N ATOM 340 CA THR A 23 7.591 -7.132 15.209 1.00 0.00 C ATOM 341 C THR A 23 7.368 -5.719 14.674 1.00 0.00 C ATOM 342 O THR A 23 7.359 -4.755 15.410 1.00 0.00 O ATOM 343 CB THR A 23 6.405 -7.568 16.076 1.00 0.00 C ATOM 344 OG1 THR A 23 6.886 -8.165 17.270 1.00 0.00 O ATOM 345 CG2 THR A 23 5.567 -8.581 15.306 1.00 0.00 C ATOM 0 H THR A 23 8.782 -7.686 16.894 1.00 0.00 H new ATOM 0 HA THR A 23 7.681 -7.819 14.367 1.00 0.00 H new ATOM 0 HB THR A 23 5.795 -6.700 16.325 1.00 0.00 H new ATOM 0 HG1 THR A 23 6.876 -9.140 17.175 1.00 0.00 H new ATOM 0 HG21 THR A 23 4.722 -8.895 15.919 1.00 0.00 H new ATOM 0 HG22 THR A 23 5.200 -8.125 14.386 1.00 0.00 H new ATOM 0 HG23 THR A 23 6.179 -9.449 15.061 1.00 0.00 H new ATOM 353 N SER A 24 7.196 -5.589 13.390 1.00 0.00 N ATOM 354 CA SER A 24 6.977 -4.240 12.811 1.00 0.00 C ATOM 355 C SER A 24 5.699 -3.657 13.413 1.00 0.00 C ATOM 356 O SER A 24 5.406 -3.853 14.574 1.00 0.00 O ATOM 357 CB SER A 24 6.847 -4.354 11.288 1.00 0.00 C ATOM 358 OG SER A 24 7.450 -5.565 10.854 1.00 0.00 O ATOM 0 H SER A 24 7.198 -6.357 12.719 1.00 0.00 H new ATOM 0 HA SER A 24 7.818 -3.586 13.039 1.00 0.00 H new ATOM 0 HB2 SER A 24 5.796 -4.334 10.999 1.00 0.00 H new ATOM 0 HB3 SER A 24 7.327 -3.502 10.806 1.00 0.00 H new ATOM 0 HG SER A 24 7.367 -5.641 9.881 1.00 0.00 H new ATOM 364 N ILE A 25 4.932 -2.951 12.642 1.00 0.00 N ATOM 365 CA ILE A 25 3.682 -2.369 13.179 1.00 0.00 C ATOM 366 C ILE A 25 2.536 -2.727 12.243 1.00 0.00 C ATOM 367 O ILE A 25 1.446 -2.992 12.688 1.00 0.00 O ATOM 368 CB ILE A 25 3.831 -0.854 13.271 1.00 0.00 C ATOM 369 CG1 ILE A 25 4.916 -0.514 14.294 1.00 0.00 C ATOM 370 CG2 ILE A 25 2.501 -0.215 13.686 1.00 0.00 C ATOM 371 CD1 ILE A 25 4.605 -1.197 15.629 1.00 0.00 C ATOM 0 H ILE A 25 5.118 -2.751 11.659 1.00 0.00 H new ATOM 0 HA ILE A 25 3.476 -2.765 14.174 1.00 0.00 H new ATOM 0 HB ILE A 25 4.115 -0.461 12.295 1.00 0.00 H new ATOM 0 HG12 ILE A 25 5.889 -0.840 13.927 1.00 0.00 H new ATOM 0 HG13 ILE A 25 4.972 0.566 14.432 1.00 0.00 H new ATOM 0 HG21 ILE A 25 2.621 0.867 13.748 1.00 0.00 H new ATOM 0 HG22 ILE A 25 1.736 -0.454 12.947 1.00 0.00 H new ATOM 0 HG23 ILE A 25 2.199 -0.603 14.659 1.00 0.00 H new ATOM 0 HD11 ILE A 25 5.382 -0.951 16.353 1.00 0.00 H new ATOM 0 HD12 ILE A 25 3.640 -0.850 15.999 1.00 0.00 H new ATOM 0 HD13 ILE A 25 4.571 -2.277 15.486 1.00 0.00 H new ATOM 383 N LEU A 26 2.777 -2.815 10.954 1.00 0.00 N ATOM 384 CA LEU A 26 1.689 -3.245 10.058 1.00 0.00 C ATOM 385 C LEU A 26 1.691 -4.740 10.213 1.00 0.00 C ATOM 386 O LEU A 26 0.676 -5.394 10.254 1.00 0.00 O ATOM 387 CB LEU A 26 1.965 -2.842 8.614 1.00 0.00 C ATOM 388 CG LEU A 26 1.103 -3.682 7.673 1.00 0.00 C ATOM 389 CD1 LEU A 26 1.809 -5.012 7.449 1.00 0.00 C ATOM 390 CD2 LEU A 26 -0.296 -3.925 8.276 1.00 0.00 C ATOM 0 H LEU A 26 3.668 -2.609 10.503 1.00 0.00 H new ATOM 0 HA LEU A 26 0.730 -2.788 10.304 1.00 0.00 H new ATOM 0 HB2 LEU A 26 1.748 -1.783 8.474 1.00 0.00 H new ATOM 0 HB3 LEU A 26 3.020 -2.985 8.381 1.00 0.00 H new ATOM 0 HG LEU A 26 0.970 -3.153 6.729 1.00 0.00 H new ATOM 0 HD11 LEU A 26 1.213 -5.632 6.779 1.00 0.00 H new ATOM 0 HD12 LEU A 26 2.788 -4.834 7.004 1.00 0.00 H new ATOM 0 HD13 LEU A 26 1.932 -5.524 8.403 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -0.890 -4.525 7.587 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -0.197 -4.453 9.224 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -0.791 -2.969 8.444 1.00 0.00 H new ATOM 402 N GLN A 27 2.872 -5.263 10.392 1.00 0.00 N ATOM 403 CA GLN A 27 3.027 -6.699 10.650 1.00 0.00 C ATOM 404 C GLN A 27 2.180 -6.964 11.880 1.00 0.00 C ATOM 405 O GLN A 27 1.577 -8.001 12.037 1.00 0.00 O ATOM 406 CB GLN A 27 4.501 -6.958 10.943 1.00 0.00 C ATOM 407 CG GLN A 27 5.069 -7.921 9.898 1.00 0.00 C ATOM 408 CD GLN A 27 4.563 -9.337 10.177 1.00 0.00 C ATOM 409 OE1 GLN A 27 3.431 -9.660 9.876 1.00 0.00 O ATOM 410 NE2 GLN A 27 5.359 -10.201 10.747 1.00 0.00 N ATOM 0 H GLN A 27 3.745 -4.736 10.368 1.00 0.00 H new ATOM 0 HA GLN A 27 2.723 -7.336 9.819 1.00 0.00 H new ATOM 0 HB2 GLN A 27 5.056 -6.020 10.928 1.00 0.00 H new ATOM 0 HB3 GLN A 27 4.615 -7.380 11.942 1.00 0.00 H new ATOM 0 HG2 GLN A 27 4.769 -7.607 8.898 1.00 0.00 H new ATOM 0 HG3 GLN A 27 6.158 -7.901 9.925 1.00 0.00 H new ATOM 0 HE21 GLN A 27 6.309 -9.930 11.000 1.00 0.00 H new ATOM 0 HE22 GLN A 27 5.031 -11.147 10.940 1.00 0.00 H new ATOM 419 N LEU A 28 2.104 -5.975 12.727 1.00 0.00 N ATOM 420 CA LEU A 28 1.258 -6.072 13.942 1.00 0.00 C ATOM 421 C LEU A 28 -0.192 -6.196 13.488 1.00 0.00 C ATOM 422 O LEU A 28 -0.941 -7.019 13.974 1.00 0.00 O ATOM 423 CB LEU A 28 1.435 -4.784 14.751 1.00 0.00 C ATOM 424 CG LEU A 28 1.024 -5.027 16.188 1.00 0.00 C ATOM 425 CD1 LEU A 28 -0.416 -5.530 16.197 1.00 0.00 C ATOM 426 CD2 LEU A 28 1.958 -6.070 16.799 1.00 0.00 C ATOM 0 H LEU A 28 2.602 -5.091 12.624 1.00 0.00 H new ATOM 0 HA LEU A 28 1.534 -6.931 14.554 1.00 0.00 H new ATOM 0 HB2 LEU A 28 2.474 -4.456 14.710 1.00 0.00 H new ATOM 0 HB3 LEU A 28 0.831 -3.986 14.319 1.00 0.00 H new ATOM 0 HG LEU A 28 1.090 -4.110 16.773 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -0.732 -5.711 17.224 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -1.066 -4.781 15.745 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -0.481 -6.458 15.628 1.00 0.00 H new ATOM 0 HD21 LEU A 28 1.671 -6.253 17.835 1.00 0.00 H new ATOM 0 HD22 LEU A 28 1.886 -6.999 16.233 1.00 0.00 H new ATOM 0 HD23 LEU A 28 2.984 -5.703 16.766 1.00 0.00 H new ATOM 438 N LYS A 29 -0.585 -5.387 12.548 1.00 0.00 N ATOM 439 CA LYS A 29 -1.977 -5.455 12.039 1.00 0.00 C ATOM 440 C LYS A 29 -2.156 -6.764 11.267 1.00 0.00 C ATOM 441 O LYS A 29 -3.260 -7.207 11.035 1.00 0.00 O ATOM 442 CB LYS A 29 -2.243 -4.264 11.113 1.00 0.00 C ATOM 443 CG LYS A 29 -2.339 -2.978 11.936 1.00 0.00 C ATOM 444 CD LYS A 29 -1.161 -2.072 11.590 1.00 0.00 C ATOM 445 CE LYS A 29 -1.175 -0.802 12.449 1.00 0.00 C ATOM 446 NZ LYS A 29 -0.232 0.195 11.865 1.00 0.00 N ATOM 0 H LYS A 29 0.002 -4.678 12.109 1.00 0.00 H new ATOM 0 HA LYS A 29 -2.680 -5.420 12.871 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -1.443 -4.177 10.378 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -3.168 -4.422 10.559 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -3.279 -2.468 11.727 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -2.333 -3.212 13.001 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -0.226 -2.610 11.745 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -1.202 -1.802 10.535 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -2.182 -0.387 12.490 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -0.886 -1.038 13.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 0.207 0.747 12.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 0.508 -0.300 11.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -0.752 0.834 11.230 1.00 0.00 H new ATOM 460 N GLU A 30 -1.074 -7.379 10.858 1.00 0.00 N ATOM 461 CA GLU A 30 -1.177 -8.658 10.098 1.00 0.00 C ATOM 462 C GLU A 30 -1.482 -9.802 11.064 1.00 0.00 C ATOM 463 O GLU A 30 -2.405 -10.558 10.858 1.00 0.00 O ATOM 464 CB GLU A 30 0.148 -8.941 9.384 1.00 0.00 C ATOM 465 CG GLU A 30 0.359 -7.925 8.260 1.00 0.00 C ATOM 466 CD GLU A 30 -0.105 -8.525 6.932 1.00 0.00 C ATOM 467 OE1 GLU A 30 -1.178 -9.104 6.909 1.00 0.00 O ATOM 468 OE2 GLU A 30 0.620 -8.393 5.959 1.00 0.00 O ATOM 0 H GLU A 30 -0.123 -7.048 11.019 1.00 0.00 H new ATOM 0 HA GLU A 30 -1.977 -8.575 9.362 1.00 0.00 H new ATOM 0 HB2 GLU A 30 0.973 -8.888 10.094 1.00 0.00 H new ATOM 0 HB3 GLU A 30 0.143 -9.952 8.977 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -0.197 -7.012 8.472 1.00 0.00 H new ATOM 0 HG3 GLU A 30 1.412 -7.650 8.198 1.00 0.00 H new ATOM 475 N VAL A 31 -0.716 -9.915 12.123 1.00 0.00 N ATOM 476 CA VAL A 31 -0.951 -10.996 13.129 1.00 0.00 C ATOM 477 C VAL A 31 -2.310 -10.766 13.766 1.00 0.00 C ATOM 478 O VAL A 31 -3.118 -11.666 13.873 1.00 0.00 O ATOM 479 CB VAL A 31 0.140 -10.924 14.201 1.00 0.00 C ATOM 480 CG1 VAL A 31 -0.176 -11.920 15.317 1.00 0.00 C ATOM 481 CG2 VAL A 31 1.491 -11.275 13.574 1.00 0.00 C ATOM 0 H VAL A 31 0.069 -9.298 12.334 1.00 0.00 H new ATOM 0 HA VAL A 31 -0.924 -11.976 12.654 1.00 0.00 H new ATOM 0 HB VAL A 31 0.179 -9.916 14.614 1.00 0.00 H new ATOM 0 HG11 VAL A 31 0.600 -11.869 16.080 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -1.140 -11.674 15.763 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -0.214 -12.928 14.905 1.00 0.00 H new ATOM 0 HG21 VAL A 31 2.270 -11.224 14.335 1.00 0.00 H new ATOM 0 HG22 VAL A 31 1.450 -12.284 13.163 1.00 0.00 H new ATOM 0 HG23 VAL A 31 1.717 -10.567 12.776 1.00 0.00 H new ATOM 491 N VAL A 32 -2.587 -9.556 14.148 1.00 0.00 N ATOM 492 CA VAL A 32 -3.915 -9.266 14.724 1.00 0.00 C ATOM 493 C VAL A 32 -4.926 -9.503 13.608 1.00 0.00 C ATOM 494 O VAL A 32 -6.011 -9.995 13.821 1.00 0.00 O ATOM 495 CB VAL A 32 -3.974 -7.805 15.184 1.00 0.00 C ATOM 496 CG1 VAL A 32 -5.414 -7.467 15.582 1.00 0.00 C ATOM 497 CG2 VAL A 32 -3.030 -7.605 16.372 1.00 0.00 C ATOM 0 H VAL A 32 -1.952 -8.760 14.085 1.00 0.00 H new ATOM 0 HA VAL A 32 -4.123 -9.898 15.588 1.00 0.00 H new ATOM 0 HB VAL A 32 -3.661 -7.144 14.376 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -5.466 -6.429 15.911 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -6.072 -7.610 14.724 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -5.730 -8.121 16.394 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -3.072 -6.566 16.699 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -3.334 -8.256 17.192 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -2.011 -7.850 16.072 1.00 0.00 H new ATOM 507 N ALA A 33 -4.552 -9.179 12.405 1.00 0.00 N ATOM 508 CA ALA A 33 -5.467 -9.402 11.257 1.00 0.00 C ATOM 509 C ALA A 33 -5.777 -10.900 11.174 1.00 0.00 C ATOM 510 O ALA A 33 -6.817 -11.313 10.702 1.00 0.00 O ATOM 511 CB ALA A 33 -4.790 -8.941 9.958 1.00 0.00 C ATOM 0 H ALA A 33 -3.649 -8.768 12.167 1.00 0.00 H new ATOM 0 HA ALA A 33 -6.387 -8.834 11.394 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -5.464 -9.106 9.118 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -4.552 -7.880 10.029 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -3.873 -9.509 9.804 1.00 0.00 H new ATOM 517 N LYS A 34 -4.864 -11.709 11.643 1.00 0.00 N ATOM 518 CA LYS A 34 -5.065 -13.190 11.616 1.00 0.00 C ATOM 519 C LYS A 34 -6.221 -13.561 12.539 1.00 0.00 C ATOM 520 O LYS A 34 -7.128 -14.280 12.168 1.00 0.00 O ATOM 521 CB LYS A 34 -3.795 -13.887 12.126 1.00 0.00 C ATOM 522 CG LYS A 34 -2.574 -13.225 11.524 1.00 0.00 C ATOM 523 CD LYS A 34 -2.693 -13.190 9.999 1.00 0.00 C ATOM 524 CE LYS A 34 -2.327 -14.562 9.428 1.00 0.00 C ATOM 525 NZ LYS A 34 -0.886 -14.578 9.052 1.00 0.00 N ATOM 0 H LYS A 34 -3.979 -11.405 12.048 1.00 0.00 H new ATOM 0 HA LYS A 34 -5.282 -13.504 10.595 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -3.751 -13.833 13.214 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -3.816 -14.944 11.860 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -2.472 -12.211 11.912 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -1.675 -13.769 11.814 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -3.709 -12.923 9.709 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -2.033 -12.426 9.589 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -2.530 -15.340 10.164 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -2.943 -14.780 8.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -0.639 -15.511 8.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -0.706 -13.846 8.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -0.305 -14.388 9.894 1.00 0.00 H new ATOM 539 N ARG A 35 -6.176 -13.088 13.748 1.00 0.00 N ATOM 540 CA ARG A 35 -7.255 -13.422 14.727 1.00 0.00 C ATOM 541 C ARG A 35 -8.565 -12.707 14.368 1.00 0.00 C ATOM 542 O ARG A 35 -9.633 -13.123 14.770 1.00 0.00 O ATOM 543 CB ARG A 35 -6.819 -13.002 16.129 1.00 0.00 C ATOM 544 CG ARG A 35 -5.681 -13.908 16.595 1.00 0.00 C ATOM 545 CD ARG A 35 -4.381 -13.126 16.503 1.00 0.00 C ATOM 546 NE ARG A 35 -3.294 -13.852 17.219 1.00 0.00 N ATOM 547 CZ ARG A 35 -3.516 -15.032 17.728 1.00 0.00 C ATOM 548 NH1 ARG A 35 -3.635 -16.069 16.945 1.00 0.00 N ATOM 549 NH2 ARG A 35 -3.614 -15.177 19.021 1.00 0.00 N ATOM 0 H ARG A 35 -5.438 -12.482 14.107 1.00 0.00 H new ATOM 0 HA ARG A 35 -7.427 -14.498 14.694 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -6.493 -11.962 16.125 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -7.660 -13.070 16.820 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -5.854 -14.238 17.619 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -5.630 -14.803 15.975 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -4.107 -12.984 15.458 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -4.513 -12.134 16.936 1.00 0.00 H new ATOM 0 HE ARG A 35 -2.373 -13.424 17.311 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -3.554 -15.957 15.934 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -3.809 -16.992 17.344 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -3.517 -14.367 19.634 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -3.788 -16.100 19.419 1.00 0.00 H new ATOM 563 N GLN A 36 -8.499 -11.633 13.632 1.00 0.00 N ATOM 564 CA GLN A 36 -9.753 -10.902 13.276 1.00 0.00 C ATOM 565 C GLN A 36 -10.361 -11.474 11.995 1.00 0.00 C ATOM 566 O GLN A 36 -11.512 -11.236 11.684 1.00 0.00 O ATOM 567 CB GLN A 36 -9.429 -9.425 13.045 1.00 0.00 C ATOM 568 CG GLN A 36 -9.954 -8.594 14.214 1.00 0.00 C ATOM 569 CD GLN A 36 -11.428 -8.252 13.985 1.00 0.00 C ATOM 570 OE1 GLN A 36 -11.896 -8.246 12.864 1.00 0.00 O ATOM 571 NE2 GLN A 36 -12.186 -7.965 15.008 1.00 0.00 N ATOM 0 H GLN A 36 -7.638 -11.230 13.262 1.00 0.00 H new ATOM 0 HA GLN A 36 -10.465 -11.014 14.094 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -8.352 -9.290 12.945 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -9.880 -9.085 12.113 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -9.840 -9.148 15.146 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -9.370 -7.679 14.313 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -11.795 -7.970 15.950 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -13.170 -7.736 14.866 1.00 0.00 H new ATOM 580 N GLY A 37 -9.597 -12.200 11.234 1.00 0.00 N ATOM 581 CA GLY A 37 -10.134 -12.746 9.956 1.00 0.00 C ATOM 582 C GLY A 37 -10.237 -11.587 8.966 1.00 0.00 C ATOM 583 O GLY A 37 -10.929 -11.651 7.968 1.00 0.00 O ATOM 0 H GLY A 37 -8.627 -12.440 11.438 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -9.478 -13.525 9.567 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -11.111 -13.202 10.115 1.00 0.00 H new ATOM 587 N VAL A 38 -9.549 -10.517 9.262 1.00 0.00 N ATOM 588 CA VAL A 38 -9.572 -9.314 8.392 1.00 0.00 C ATOM 589 C VAL A 38 -8.140 -8.967 8.002 1.00 0.00 C ATOM 590 O VAL A 38 -7.195 -9.447 8.597 1.00 0.00 O ATOM 591 CB VAL A 38 -10.193 -8.161 9.181 1.00 0.00 C ATOM 592 CG1 VAL A 38 -11.319 -8.705 10.060 1.00 0.00 C ATOM 593 CG2 VAL A 38 -9.124 -7.527 10.073 1.00 0.00 C ATOM 0 H VAL A 38 -8.960 -10.428 10.090 1.00 0.00 H new ATOM 0 HA VAL A 38 -10.157 -9.497 7.490 1.00 0.00 H new ATOM 0 HB VAL A 38 -10.588 -7.415 8.492 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -11.766 -7.888 10.626 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -12.079 -9.170 9.432 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -10.916 -9.446 10.750 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -9.562 -6.704 10.638 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -8.736 -8.275 10.764 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -8.311 -7.149 9.454 1.00 0.00 H new ATOM 603 N PRO A 39 -8.038 -8.153 7.003 1.00 0.00 N ATOM 604 CA PRO A 39 -6.749 -7.706 6.464 1.00 0.00 C ATOM 605 C PRO A 39 -6.127 -6.631 7.360 1.00 0.00 C ATOM 606 O PRO A 39 -6.799 -5.745 7.850 1.00 0.00 O ATOM 607 CB PRO A 39 -7.119 -7.157 5.083 1.00 0.00 C ATOM 608 CG PRO A 39 -8.632 -6.822 5.136 1.00 0.00 C ATOM 609 CD PRO A 39 -9.216 -7.597 6.321 1.00 0.00 C ATOM 0 HA PRO A 39 -6.001 -8.497 6.411 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -6.533 -6.269 4.848 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -6.911 -7.891 4.305 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -8.786 -5.750 5.261 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -9.124 -7.108 4.207 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -9.787 -6.944 6.981 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -9.892 -8.384 5.988 1.00 0.00 H new ATOM 617 N ALA A 40 -4.841 -6.714 7.574 1.00 0.00 N ATOM 618 CA ALA A 40 -4.148 -5.714 8.436 1.00 0.00 C ATOM 619 C ALA A 40 -4.486 -4.303 7.965 1.00 0.00 C ATOM 620 O ALA A 40 -4.335 -3.342 8.692 1.00 0.00 O ATOM 621 CB ALA A 40 -2.645 -5.927 8.329 1.00 0.00 C ATOM 0 H ALA A 40 -4.237 -7.438 7.185 1.00 0.00 H new ATOM 0 HA ALA A 40 -4.473 -5.837 9.469 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -2.129 -5.200 8.956 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -2.396 -6.935 8.661 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -2.332 -5.799 7.293 1.00 0.00 H new ATOM 627 N ASP A 41 -4.937 -4.166 6.752 1.00 0.00 N ATOM 628 CA ASP A 41 -5.273 -2.811 6.244 1.00 0.00 C ATOM 629 C ASP A 41 -6.404 -2.222 7.093 1.00 0.00 C ATOM 630 O ASP A 41 -6.257 -1.189 7.711 1.00 0.00 O ATOM 631 CB ASP A 41 -5.714 -2.901 4.781 1.00 0.00 C ATOM 632 CG ASP A 41 -4.542 -2.520 3.873 1.00 0.00 C ATOM 633 OD1 ASP A 41 -3.637 -3.328 3.739 1.00 0.00 O ATOM 634 OD2 ASP A 41 -4.570 -1.429 3.328 1.00 0.00 O ATOM 0 H ASP A 41 -5.087 -4.930 6.093 1.00 0.00 H new ATOM 0 HA ASP A 41 -4.395 -2.168 6.309 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -6.052 -3.912 4.553 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -6.558 -2.235 4.602 1.00 0.00 H new ATOM 639 N GLN A 42 -7.529 -2.883 7.140 1.00 0.00 N ATOM 640 CA GLN A 42 -8.666 -2.377 7.965 1.00 0.00 C ATOM 641 C GLN A 42 -8.218 -2.308 9.422 1.00 0.00 C ATOM 642 O GLN A 42 -8.386 -1.317 10.103 1.00 0.00 O ATOM 643 CB GLN A 42 -9.831 -3.358 7.856 1.00 0.00 C ATOM 644 CG GLN A 42 -10.922 -2.768 6.963 1.00 0.00 C ATOM 645 CD GLN A 42 -11.520 -3.878 6.097 1.00 0.00 C ATOM 646 OE1 GLN A 42 -11.431 -5.041 6.436 1.00 0.00 O ATOM 647 NE2 GLN A 42 -12.124 -3.568 4.984 1.00 0.00 N ATOM 0 H GLN A 42 -7.711 -3.754 6.642 1.00 0.00 H new ATOM 0 HA GLN A 42 -8.974 -1.391 7.616 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -9.483 -4.305 7.444 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -10.234 -3.570 8.846 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -11.699 -2.309 7.574 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -10.506 -1.982 6.332 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -12.199 -2.591 4.699 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -12.522 -4.302 4.398 1.00 0.00 H new ATOM 656 N LEU A 43 -7.639 -3.373 9.880 1.00 0.00 N ATOM 657 CA LEU A 43 -7.141 -3.464 11.279 1.00 0.00 C ATOM 658 C LEU A 43 -6.024 -2.442 11.495 1.00 0.00 C ATOM 659 O LEU A 43 -5.186 -2.254 10.634 1.00 0.00 O ATOM 660 CB LEU A 43 -6.553 -4.858 11.421 1.00 0.00 C ATOM 661 CG LEU A 43 -6.844 -5.454 12.785 1.00 0.00 C ATOM 662 CD1 LEU A 43 -8.319 -5.866 12.875 1.00 0.00 C ATOM 663 CD2 LEU A 43 -5.954 -6.679 12.928 1.00 0.00 C ATOM 0 H LEU A 43 -7.483 -4.215 9.326 1.00 0.00 H new ATOM 0 HA LEU A 43 -7.938 -3.273 11.998 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -6.962 -5.506 10.646 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -5.475 -4.816 11.265 1.00 0.00 H new ATOM 0 HG LEU A 43 -6.648 -4.731 13.577 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -8.518 -6.293 13.858 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -8.951 -4.991 12.725 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -8.537 -6.608 12.106 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -6.128 -7.144 13.898 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -6.186 -7.392 12.137 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -4.909 -6.380 12.852 1.00 0.00 H new ATOM 675 N ARG A 44 -5.970 -1.792 12.629 1.00 0.00 N ATOM 676 CA ARG A 44 -4.858 -0.822 12.828 1.00 0.00 C ATOM 677 C ARG A 44 -4.514 -0.652 14.298 1.00 0.00 C ATOM 678 O ARG A 44 -5.307 -0.224 15.110 1.00 0.00 O ATOM 679 CB ARG A 44 -5.185 0.512 12.179 1.00 0.00 C ATOM 680 CG ARG A 44 -4.326 0.620 10.920 1.00 0.00 C ATOM 681 CD ARG A 44 -5.213 0.492 9.683 1.00 0.00 C ATOM 682 NE ARG A 44 -4.878 1.575 8.717 1.00 0.00 N ATOM 683 CZ ARG A 44 -4.033 1.344 7.749 1.00 0.00 C ATOM 684 NH1 ARG A 44 -3.131 0.410 7.879 1.00 0.00 N ATOM 685 NH2 ARG A 44 -4.094 2.045 6.649 1.00 0.00 N ATOM 0 H ARG A 44 -6.627 -1.887 13.403 1.00 0.00 H new ATOM 0 HA ARG A 44 -3.973 -1.229 12.339 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -6.244 0.570 11.929 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -4.973 1.335 12.862 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -3.801 1.575 10.906 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -3.566 -0.161 10.918 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -5.068 -0.483 9.217 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -6.263 0.556 9.967 1.00 0.00 H new ATOM 0 HE ARG A 44 -5.308 2.495 8.812 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -3.086 -0.140 8.737 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -2.471 0.230 7.123 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -4.802 2.773 6.546 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -3.434 1.865 5.892 1.00 0.00 H new ATOM 699 N VAL A 45 -3.311 -1.020 14.617 1.00 0.00 N ATOM 700 CA VAL A 45 -2.799 -0.960 16.003 1.00 0.00 C ATOM 701 C VAL A 45 -2.165 0.389 16.321 1.00 0.00 C ATOM 702 O VAL A 45 -1.174 0.783 15.738 1.00 0.00 O ATOM 703 CB VAL A 45 -1.741 -2.039 16.120 1.00 0.00 C ATOM 704 CG1 VAL A 45 -1.316 -2.215 17.574 1.00 0.00 C ATOM 705 CG2 VAL A 45 -2.348 -3.327 15.588 1.00 0.00 C ATOM 0 H VAL A 45 -2.634 -1.375 13.941 1.00 0.00 H new ATOM 0 HA VAL A 45 -3.623 -1.102 16.702 1.00 0.00 H new ATOM 0 HB VAL A 45 -0.853 -1.767 15.549 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -0.556 -2.994 17.639 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -0.908 -1.277 17.950 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -2.180 -2.501 18.174 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -1.614 -4.130 15.656 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -3.226 -3.587 16.179 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -2.640 -3.189 14.547 1.00 0.00 H new ATOM 715 N ILE A 46 -2.706 1.065 17.281 1.00 0.00 N ATOM 716 CA ILE A 46 -2.132 2.360 17.710 1.00 0.00 C ATOM 717 C ILE A 46 -1.967 2.261 19.226 1.00 0.00 C ATOM 718 O ILE A 46 -2.908 2.024 19.950 1.00 0.00 O ATOM 719 CB ILE A 46 -3.068 3.483 17.289 1.00 0.00 C ATOM 720 CG1 ILE A 46 -3.267 3.385 15.766 1.00 0.00 C ATOM 721 CG2 ILE A 46 -2.452 4.839 17.655 1.00 0.00 C ATOM 722 CD1 ILE A 46 -4.734 3.646 15.427 1.00 0.00 C ATOM 0 H ILE A 46 -3.536 0.772 17.797 1.00 0.00 H new ATOM 0 HA ILE A 46 -1.167 2.577 17.251 1.00 0.00 H new ATOM 0 HB ILE A 46 -4.026 3.394 17.801 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -2.631 4.109 15.258 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -2.971 2.397 15.412 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -3.127 5.639 17.351 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -2.293 4.888 18.732 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -1.497 4.955 17.142 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -4.876 3.577 14.349 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -5.360 2.904 15.924 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -5.014 4.643 15.767 1.00 0.00 H new ATOM 734 N PHE A 47 -0.760 2.342 19.693 1.00 0.00 N ATOM 735 CA PHE A 47 -0.499 2.138 21.146 1.00 0.00 C ATOM 736 C PHE A 47 -0.479 3.433 21.958 1.00 0.00 C ATOM 737 O PHE A 47 0.231 4.364 21.654 1.00 0.00 O ATOM 738 CB PHE A 47 0.858 1.492 21.267 1.00 0.00 C ATOM 739 CG PHE A 47 1.434 1.870 22.588 1.00 0.00 C ATOM 740 CD1 PHE A 47 2.163 3.056 22.718 1.00 0.00 C ATOM 741 CD2 PHE A 47 1.246 1.025 23.677 1.00 0.00 C ATOM 742 CE1 PHE A 47 2.712 3.398 23.960 1.00 0.00 C ATOM 743 CE2 PHE A 47 1.797 1.357 24.919 1.00 0.00 C ATOM 744 CZ PHE A 47 2.533 2.544 25.061 1.00 0.00 C ATOM 0 H PHE A 47 0.067 2.542 19.130 1.00 0.00 H new ATOM 0 HA PHE A 47 -1.309 1.528 21.545 1.00 0.00 H new ATOM 0 HB2 PHE A 47 0.772 0.408 21.185 1.00 0.00 H new ATOM 0 HB3 PHE A 47 1.510 1.822 20.459 1.00 0.00 H new ATOM 0 HD1 PHE A 47 2.302 3.704 21.866 1.00 0.00 H new ATOM 0 HD2 PHE A 47 0.676 0.115 23.564 1.00 0.00 H new ATOM 0 HE1 PHE A 47 3.271 4.315 24.071 1.00 0.00 H new ATOM 0 HE2 PHE A 47 1.657 0.702 25.766 1.00 0.00 H new ATOM 0 HZ PHE A 47 2.962 2.801 26.018 1.00 0.00 H new ATOM 754 N ALA A 48 -1.218 3.450 23.040 1.00 0.00 N ATOM 755 CA ALA A 48 -1.234 4.633 23.956 1.00 0.00 C ATOM 756 C ALA A 48 -1.711 5.894 23.242 1.00 0.00 C ATOM 757 O ALA A 48 -1.680 6.975 23.797 1.00 0.00 O ATOM 758 CB ALA A 48 0.172 4.865 24.495 1.00 0.00 C ATOM 0 H ALA A 48 -1.821 2.681 23.332 1.00 0.00 H new ATOM 0 HA ALA A 48 -1.929 4.422 24.769 1.00 0.00 H new ATOM 0 HB1 ALA A 48 0.168 5.726 25.164 1.00 0.00 H new ATOM 0 HB2 ALA A 48 0.502 3.982 25.042 1.00 0.00 H new ATOM 0 HB3 ALA A 48 0.853 5.053 23.665 1.00 0.00 H new ATOM 764 N GLY A 49 -2.169 5.778 22.037 1.00 0.00 N ATOM 765 CA GLY A 49 -2.659 6.986 21.325 1.00 0.00 C ATOM 766 C GLY A 49 -1.637 7.454 20.289 1.00 0.00 C ATOM 767 O GLY A 49 -1.887 8.390 19.555 1.00 0.00 O ATOM 0 H GLY A 49 -2.227 4.905 21.512 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -3.607 6.766 20.834 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -2.849 7.785 22.042 1.00 0.00 H new ATOM 771 N LYS A 50 -0.491 6.828 20.199 1.00 0.00 N ATOM 772 CA LYS A 50 0.486 7.293 19.183 1.00 0.00 C ATOM 773 C LYS A 50 0.339 6.434 17.935 1.00 0.00 C ATOM 774 O LYS A 50 0.604 5.249 17.947 1.00 0.00 O ATOM 775 CB LYS A 50 1.909 7.172 19.734 1.00 0.00 C ATOM 776 CG LYS A 50 2.268 8.447 20.499 1.00 0.00 C ATOM 777 CD LYS A 50 1.622 8.410 21.885 1.00 0.00 C ATOM 778 CE LYS A 50 2.711 8.460 22.958 1.00 0.00 C ATOM 779 NZ LYS A 50 3.117 9.874 23.190 1.00 0.00 N ATOM 0 H LYS A 50 -0.199 6.036 20.771 1.00 0.00 H new ATOM 0 HA LYS A 50 0.295 8.338 18.938 1.00 0.00 H new ATOM 0 HB2 LYS A 50 1.983 6.307 20.392 1.00 0.00 H new ATOM 0 HB3 LYS A 50 2.614 7.013 18.918 1.00 0.00 H new ATOM 0 HG2 LYS A 50 3.350 8.535 20.593 1.00 0.00 H new ATOM 0 HG3 LYS A 50 1.924 9.323 19.949 1.00 0.00 H new ATOM 0 HD2 LYS A 50 0.941 9.253 22.003 1.00 0.00 H new ATOM 0 HD3 LYS A 50 1.028 7.503 21.997 1.00 0.00 H new ATOM 0 HE2 LYS A 50 2.343 8.020 23.885 1.00 0.00 H new ATOM 0 HE3 LYS A 50 3.572 7.870 22.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 3.857 9.907 23.920 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 3.484 10.279 22.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 2.293 10.424 23.507 1.00 0.00 H new ATOM 793 N GLU A 51 -0.085 7.032 16.856 1.00 0.00 N ATOM 794 CA GLU A 51 -0.261 6.263 15.598 1.00 0.00 C ATOM 795 C GLU A 51 1.109 5.978 14.999 1.00 0.00 C ATOM 796 O GLU A 51 1.747 6.846 14.436 1.00 0.00 O ATOM 797 CB GLU A 51 -1.099 7.079 14.610 1.00 0.00 C ATOM 798 CG GLU A 51 -1.055 6.418 13.229 1.00 0.00 C ATOM 799 CD GLU A 51 -1.607 7.388 12.182 1.00 0.00 C ATOM 800 OE1 GLU A 51 -0.825 8.154 11.645 1.00 0.00 O ATOM 801 OE2 GLU A 51 -2.801 7.349 11.937 1.00 0.00 O ATOM 0 H GLU A 51 -0.317 8.023 16.794 1.00 0.00 H new ATOM 0 HA GLU A 51 -0.773 5.324 15.806 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -2.129 7.145 14.960 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -0.717 8.098 14.549 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -0.031 6.140 12.979 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -1.642 5.499 13.235 1.00 0.00 H new ATOM 808 N LEU A 52 1.564 4.767 15.112 1.00 0.00 N ATOM 809 CA LEU A 52 2.893 4.425 14.548 1.00 0.00 C ATOM 810 C LEU A 52 2.703 3.916 13.128 1.00 0.00 C ATOM 811 O LEU A 52 1.671 3.367 12.795 1.00 0.00 O ATOM 812 CB LEU A 52 3.566 3.339 15.391 1.00 0.00 C ATOM 813 CG LEU A 52 3.013 3.375 16.813 1.00 0.00 C ATOM 814 CD1 LEU A 52 3.761 2.362 17.680 1.00 0.00 C ATOM 815 CD2 LEU A 52 3.199 4.776 17.398 1.00 0.00 C ATOM 0 H LEU A 52 1.074 3.999 15.570 1.00 0.00 H new ATOM 0 HA LEU A 52 3.526 5.312 14.551 1.00 0.00 H new ATOM 0 HB2 LEU A 52 3.390 2.359 14.947 1.00 0.00 H new ATOM 0 HB3 LEU A 52 4.645 3.493 15.406 1.00 0.00 H new ATOM 0 HG LEU A 52 1.952 3.125 16.794 1.00 0.00 H new ATOM 0 HD11 LEU A 52 3.365 2.389 18.695 1.00 0.00 H new ATOM 0 HD12 LEU A 52 3.630 1.362 17.266 1.00 0.00 H new ATOM 0 HD13 LEU A 52 4.822 2.612 17.698 1.00 0.00 H new ATOM 0 HD21 LEU A 52 2.804 4.802 18.414 1.00 0.00 H new ATOM 0 HD22 LEU A 52 4.260 5.025 17.415 1.00 0.00 H new ATOM 0 HD23 LEU A 52 2.666 5.501 16.783 1.00 0.00 H new ATOM 827 N PRO A 53 3.712 4.107 12.337 1.00 0.00 N ATOM 828 CA PRO A 53 3.705 3.670 10.940 1.00 0.00 C ATOM 829 C PRO A 53 3.910 2.159 10.902 1.00 0.00 C ATOM 830 O PRO A 53 3.870 1.505 11.922 1.00 0.00 O ATOM 831 CB PRO A 53 4.881 4.424 10.318 1.00 0.00 C ATOM 832 CG PRO A 53 5.815 4.799 11.489 1.00 0.00 C ATOM 833 CD PRO A 53 4.955 4.767 12.768 1.00 0.00 C ATOM 0 HA PRO A 53 2.777 3.873 10.406 1.00 0.00 H new ATOM 0 HB2 PRO A 53 5.400 3.803 9.588 1.00 0.00 H new ATOM 0 HB3 PRO A 53 4.538 5.315 9.792 1.00 0.00 H new ATOM 0 HG2 PRO A 53 6.645 4.096 11.563 1.00 0.00 H new ATOM 0 HG3 PRO A 53 6.247 5.788 11.338 1.00 0.00 H new ATOM 0 HD2 PRO A 53 5.447 4.212 13.567 1.00 0.00 H new ATOM 0 HD3 PRO A 53 4.764 5.771 13.147 1.00 0.00 H new ATOM 841 N ASN A 54 4.115 1.591 9.751 1.00 0.00 N ATOM 842 CA ASN A 54 4.299 0.114 9.683 1.00 0.00 C ATOM 843 C ASN A 54 5.784 -0.244 9.785 1.00 0.00 C ATOM 844 O ASN A 54 6.158 -1.218 10.408 1.00 0.00 O ATOM 845 CB ASN A 54 3.764 -0.393 8.346 1.00 0.00 C ATOM 846 CG ASN A 54 4.459 0.352 7.207 1.00 0.00 C ATOM 847 OD1 ASN A 54 5.583 0.047 6.860 1.00 0.00 O ATOM 848 ND2 ASN A 54 3.832 1.325 6.606 1.00 0.00 N ATOM 0 H ASN A 54 4.163 2.080 8.857 1.00 0.00 H new ATOM 0 HA ASN A 54 3.761 -0.347 10.511 1.00 0.00 H new ATOM 0 HB2 ASN A 54 3.939 -1.465 8.254 1.00 0.00 H new ATOM 0 HB3 ASN A 54 2.686 -0.240 8.291 1.00 0.00 H new ATOM 0 HD21 ASN A 54 4.285 1.830 5.844 1.00 0.00 H new ATOM 0 HD22 ASN A 54 2.889 1.581 6.897 1.00 0.00 H new ATOM 855 N HIS A 55 6.629 0.519 9.151 1.00 0.00 N ATOM 856 CA HIS A 55 8.089 0.210 9.178 1.00 0.00 C ATOM 857 C HIS A 55 8.645 0.274 10.606 1.00 0.00 C ATOM 858 O HIS A 55 9.483 -0.521 10.984 1.00 0.00 O ATOM 859 CB HIS A 55 8.838 1.215 8.297 1.00 0.00 C ATOM 860 CG HIS A 55 8.648 2.607 8.837 1.00 0.00 C ATOM 861 ND1 HIS A 55 9.260 3.286 9.861 1.00 0.00 N flip ATOM 862 CD2 HIS A 55 7.720 3.488 8.302 1.00 0.00 C flip ATOM 863 CE1 HIS A 55 8.724 4.566 9.962 1.00 0.00 C flip ATOM 864 NE2 HIS A 55 7.800 4.636 9.000 1.00 0.00 N flip ATOM 0 H HIS A 55 6.372 1.347 8.613 1.00 0.00 H new ATOM 0 HA HIS A 55 8.231 -0.802 8.800 1.00 0.00 H new ATOM 0 HB2 HIS A 55 9.899 0.968 8.269 1.00 0.00 H new ATOM 0 HB3 HIS A 55 8.470 1.159 7.272 1.00 0.00 H new ATOM 0 HD2 HIS A 55 7.054 3.289 7.475 1.00 0.00 H new ATOM 0 HE1 HIS A 55 8.997 5.337 10.667 1.00 0.00 H new ATOM 0 HE2 HIS A 55 7.225 5.459 8.817 1.00 0.00 H new ATOM 872 N LEU A 56 8.214 1.215 11.401 1.00 0.00 N ATOM 873 CA LEU A 56 8.758 1.313 12.790 1.00 0.00 C ATOM 874 C LEU A 56 8.694 -0.054 13.483 1.00 0.00 C ATOM 875 O LEU A 56 7.937 -0.925 13.103 1.00 0.00 O ATOM 876 CB LEU A 56 7.959 2.341 13.593 1.00 0.00 C ATOM 877 CG LEU A 56 8.474 3.754 13.290 1.00 0.00 C ATOM 878 CD1 LEU A 56 7.845 4.744 14.269 1.00 0.00 C ATOM 879 CD2 LEU A 56 9.997 3.801 13.434 1.00 0.00 C ATOM 0 H LEU A 56 7.515 1.916 11.154 1.00 0.00 H new ATOM 0 HA LEU A 56 9.799 1.632 12.737 1.00 0.00 H new ATOM 0 HB2 LEU A 56 6.901 2.269 13.342 1.00 0.00 H new ATOM 0 HB3 LEU A 56 8.049 2.132 14.659 1.00 0.00 H new ATOM 0 HG LEU A 56 8.203 4.020 12.268 1.00 0.00 H new ATOM 0 HD11 LEU A 56 8.210 5.749 14.055 1.00 0.00 H new ATOM 0 HD12 LEU A 56 6.760 4.722 14.163 1.00 0.00 H new ATOM 0 HD13 LEU A 56 8.115 4.469 15.289 1.00 0.00 H new ATOM 0 HD21 LEU A 56 10.352 4.808 13.217 1.00 0.00 H new ATOM 0 HD22 LEU A 56 10.275 3.530 14.453 1.00 0.00 H new ATOM 0 HD23 LEU A 56 10.450 3.098 12.735 1.00 0.00 H new ATOM 891 N THR A 57 9.506 -0.247 14.495 1.00 0.00 N ATOM 892 CA THR A 57 9.527 -1.554 15.217 1.00 0.00 C ATOM 893 C THR A 57 8.574 -1.529 16.414 1.00 0.00 C ATOM 894 O THR A 57 8.012 -0.510 16.762 1.00 0.00 O ATOM 895 CB THR A 57 10.946 -1.832 15.715 1.00 0.00 C ATOM 896 OG1 THR A 57 11.667 -0.610 15.792 1.00 0.00 O ATOM 897 CG2 THR A 57 11.645 -2.783 14.745 1.00 0.00 C ATOM 0 H THR A 57 10.158 0.451 14.852 1.00 0.00 H new ATOM 0 HA THR A 57 9.206 -2.336 14.529 1.00 0.00 H new ATOM 0 HB THR A 57 10.906 -2.289 16.704 1.00 0.00 H new ATOM 0 HG1 THR A 57 12.576 -0.786 16.113 1.00 0.00 H new ATOM 0 HG21 THR A 57 12.657 -2.983 15.097 1.00 0.00 H new ATOM 0 HG22 THR A 57 11.089 -3.719 14.688 1.00 0.00 H new ATOM 0 HG23 THR A 57 11.689 -2.327 13.756 1.00 0.00 H new ATOM 905 N VAL A 58 8.393 -2.662 17.043 1.00 0.00 N ATOM 906 CA VAL A 58 7.481 -2.745 18.220 1.00 0.00 C ATOM 907 C VAL A 58 7.990 -1.844 19.353 1.00 0.00 C ATOM 908 O VAL A 58 7.239 -1.132 19.984 1.00 0.00 O ATOM 909 CB VAL A 58 7.427 -4.198 18.711 1.00 0.00 C ATOM 910 CG1 VAL A 58 6.861 -4.231 20.129 1.00 0.00 C ATOM 911 CG2 VAL A 58 6.517 -5.008 17.790 1.00 0.00 C ATOM 0 H VAL A 58 8.843 -3.541 16.788 1.00 0.00 H new ATOM 0 HA VAL A 58 6.486 -2.412 17.925 1.00 0.00 H new ATOM 0 HB VAL A 58 8.431 -4.623 18.705 1.00 0.00 H new ATOM 0 HG11 VAL A 58 6.821 -5.262 20.481 1.00 0.00 H new ATOM 0 HG12 VAL A 58 7.501 -3.646 20.790 1.00 0.00 H new ATOM 0 HG13 VAL A 58 5.856 -3.808 20.130 1.00 0.00 H new ATOM 0 HG21 VAL A 58 6.476 -6.041 18.136 1.00 0.00 H new ATOM 0 HG22 VAL A 58 5.514 -4.581 17.802 1.00 0.00 H new ATOM 0 HG23 VAL A 58 6.910 -4.981 16.774 1.00 0.00 H new ATOM 921 N GLN A 59 9.261 -1.873 19.620 1.00 0.00 N ATOM 922 CA GLN A 59 9.820 -1.029 20.717 1.00 0.00 C ATOM 923 C GLN A 59 10.237 0.326 20.163 1.00 0.00 C ATOM 924 O GLN A 59 11.106 0.990 20.693 1.00 0.00 O ATOM 925 CB GLN A 59 11.054 -1.711 21.260 1.00 0.00 C ATOM 926 CG GLN A 59 10.655 -2.719 22.339 1.00 0.00 C ATOM 927 CD GLN A 59 11.854 -2.994 23.249 1.00 0.00 C ATOM 928 OE1 GLN A 59 12.860 -2.317 23.168 1.00 0.00 O ATOM 929 NE2 GLN A 59 11.792 -3.966 24.119 1.00 0.00 N ATOM 0 H GLN A 59 9.944 -2.447 19.126 1.00 0.00 H new ATOM 0 HA GLN A 59 9.067 -0.896 21.494 1.00 0.00 H new ATOM 0 HB2 GLN A 59 11.585 -2.218 20.454 1.00 0.00 H new ATOM 0 HB3 GLN A 59 11.737 -0.970 21.676 1.00 0.00 H new ATOM 0 HG2 GLN A 59 9.822 -2.330 22.925 1.00 0.00 H new ATOM 0 HG3 GLN A 59 10.315 -3.646 21.878 1.00 0.00 H new ATOM 0 HE21 GLN A 59 10.948 -4.535 24.188 1.00 0.00 H new ATOM 0 HE22 GLN A 59 12.587 -4.156 24.729 1.00 0.00 H new ATOM 938 N ASN A 60 9.639 0.726 19.095 1.00 0.00 N ATOM 939 CA ASN A 60 10.013 2.035 18.483 1.00 0.00 C ATOM 940 C ASN A 60 9.254 3.169 19.168 1.00 0.00 C ATOM 941 O ASN A 60 9.840 4.027 19.799 1.00 0.00 O ATOM 942 CB ASN A 60 9.689 2.023 16.992 1.00 0.00 C ATOM 943 CG ASN A 60 10.776 2.789 16.238 1.00 0.00 C ATOM 944 OD1 ASN A 60 10.627 4.068 16.027 1.00 0.00 O flip ATOM 945 ND2 ASN A 60 11.772 2.219 15.839 1.00 0.00 N flip ATOM 0 H ASN A 60 8.905 0.211 18.609 1.00 0.00 H new ATOM 0 HA ASN A 60 11.083 2.193 18.615 1.00 0.00 H new ATOM 0 HB2 ASN A 60 9.631 0.997 16.628 1.00 0.00 H new ATOM 0 HB3 ASN A 60 8.715 2.480 16.815 1.00 0.00 H new ATOM 0 HD21 ASN A 60 11.888 1.219 16.004 1.00 0.00 H new ATOM 0 HD22 ASN A 60 12.492 2.740 15.339 1.00 0.00 H new ATOM 952 N CYS A 61 7.956 3.175 19.068 1.00 0.00 N ATOM 953 CA CYS A 61 7.181 4.250 19.741 1.00 0.00 C ATOM 954 C CYS A 61 7.162 3.939 21.231 1.00 0.00 C ATOM 955 O CYS A 61 7.455 4.778 22.059 1.00 0.00 O ATOM 956 CB CYS A 61 5.749 4.281 19.203 1.00 0.00 C ATOM 957 SG CYS A 61 4.733 5.335 20.267 1.00 0.00 S ATOM 0 H CYS A 61 7.403 2.489 18.555 1.00 0.00 H new ATOM 0 HA CYS A 61 7.638 5.222 19.554 1.00 0.00 H new ATOM 0 HB2 CYS A 61 5.740 4.660 18.181 1.00 0.00 H new ATOM 0 HB3 CYS A 61 5.338 3.272 19.172 1.00 0.00 H new ATOM 0 HG CYS A 61 3.554 4.804 20.406 1.00 0.00 H new ATOM 963 N ASP A 62 6.834 2.719 21.560 1.00 0.00 N ATOM 964 CA ASP A 62 6.798 2.292 22.983 1.00 0.00 C ATOM 965 C ASP A 62 5.838 1.115 23.134 1.00 0.00 C ATOM 966 O ASP A 62 5.151 0.998 24.129 1.00 0.00 O ATOM 967 CB ASP A 62 6.318 3.443 23.872 1.00 0.00 C ATOM 968 CG ASP A 62 7.523 4.099 24.548 1.00 0.00 C ATOM 969 OD1 ASP A 62 8.632 3.657 24.297 1.00 0.00 O ATOM 970 OD2 ASP A 62 7.317 5.032 25.309 1.00 0.00 O ATOM 0 H ASP A 62 6.586 1.991 20.890 1.00 0.00 H new ATOM 0 HA ASP A 62 7.803 1.999 23.287 1.00 0.00 H new ATOM 0 HB2 ASP A 62 5.778 4.177 23.275 1.00 0.00 H new ATOM 0 HB3 ASP A 62 5.623 3.071 24.625 1.00 0.00 H new ATOM 975 N LEU A 63 5.780 0.227 22.173 1.00 0.00 N ATOM 976 CA LEU A 63 4.853 -0.930 22.331 1.00 0.00 C ATOM 977 C LEU A 63 5.545 -1.984 23.183 1.00 0.00 C ATOM 978 O LEU A 63 5.061 -2.385 24.223 1.00 0.00 O ATOM 979 CB LEU A 63 4.520 -1.538 20.988 1.00 0.00 C ATOM 980 CG LEU A 63 3.906 -0.475 20.106 1.00 0.00 C ATOM 981 CD1 LEU A 63 4.624 -0.504 18.775 1.00 0.00 C ATOM 982 CD2 LEU A 63 2.421 -0.774 19.915 1.00 0.00 C ATOM 0 H LEU A 63 6.320 0.252 21.308 1.00 0.00 H new ATOM 0 HA LEU A 63 3.931 -0.586 22.799 1.00 0.00 H new ATOM 0 HB2 LEU A 63 5.420 -1.940 20.523 1.00 0.00 H new ATOM 0 HB3 LEU A 63 3.827 -2.370 21.113 1.00 0.00 H new ATOM 0 HG LEU A 63 4.005 0.512 20.559 1.00 0.00 H new ATOM 0 HD11 LEU A 63 4.201 0.255 18.117 1.00 0.00 H new ATOM 0 HD12 LEU A 63 5.684 -0.301 18.929 1.00 0.00 H new ATOM 0 HD13 LEU A 63 4.506 -1.487 18.319 1.00 0.00 H new ATOM 0 HD21 LEU A 63 1.975 -0.009 19.279 1.00 0.00 H new ATOM 0 HD22 LEU A 63 2.304 -1.750 19.445 1.00 0.00 H new ATOM 0 HD23 LEU A 63 1.923 -0.776 20.884 1.00 0.00 H new ATOM 994 N GLU A 64 6.688 -2.429 22.737 1.00 0.00 N ATOM 995 CA GLU A 64 7.440 -3.454 23.501 1.00 0.00 C ATOM 996 C GLU A 64 6.484 -4.566 23.913 1.00 0.00 C ATOM 997 O GLU A 64 5.462 -4.783 23.294 1.00 0.00 O ATOM 998 CB GLU A 64 8.048 -2.818 24.752 1.00 0.00 C ATOM 999 CG GLU A 64 8.390 -1.345 24.488 1.00 0.00 C ATOM 1000 CD GLU A 64 7.489 -0.445 25.339 1.00 0.00 C ATOM 1001 OE1 GLU A 64 6.801 -0.968 26.201 1.00 0.00 O ATOM 1002 OE2 GLU A 64 7.504 0.754 25.115 1.00 0.00 O ATOM 0 H GLU A 64 7.132 -2.123 21.871 1.00 0.00 H new ATOM 0 HA GLU A 64 8.238 -3.862 22.880 1.00 0.00 H new ATOM 0 HB2 GLU A 64 7.347 -2.892 25.583 1.00 0.00 H new ATOM 0 HB3 GLU A 64 8.947 -3.361 25.044 1.00 0.00 H new ATOM 0 HG2 GLU A 64 9.437 -1.157 24.726 1.00 0.00 H new ATOM 0 HG3 GLU A 64 8.256 -1.114 23.431 1.00 0.00 H new ATOM 1009 N GLN A 65 6.795 -5.254 24.968 1.00 0.00 N ATOM 1010 CA GLN A 65 5.883 -6.334 25.435 1.00 0.00 C ATOM 1011 C GLN A 65 4.966 -5.735 26.502 1.00 0.00 C ATOM 1012 O GLN A 65 5.396 -4.943 27.316 1.00 0.00 O ATOM 1013 CB GLN A 65 6.676 -7.517 26.004 1.00 0.00 C ATOM 1014 CG GLN A 65 8.116 -7.108 26.329 1.00 0.00 C ATOM 1015 CD GLN A 65 8.126 -6.224 27.577 1.00 0.00 C ATOM 1016 OE1 GLN A 65 7.646 -6.622 28.620 1.00 0.00 O ATOM 1017 NE2 GLN A 65 8.657 -5.034 27.515 1.00 0.00 N ATOM 0 H GLN A 65 7.637 -5.119 25.528 1.00 0.00 H new ATOM 0 HA GLN A 65 5.297 -6.717 24.600 1.00 0.00 H new ATOM 0 HB2 GLN A 65 6.187 -7.887 26.905 1.00 0.00 H new ATOM 0 HB3 GLN A 65 6.680 -8.336 25.285 1.00 0.00 H new ATOM 0 HG2 GLN A 65 8.729 -7.994 26.493 1.00 0.00 H new ATOM 0 HG3 GLN A 65 8.552 -6.571 25.486 1.00 0.00 H new ATOM 0 HE21 GLN A 65 9.060 -4.700 26.639 1.00 0.00 H new ATOM 0 HE22 GLN A 65 8.669 -4.437 28.342 1.00 0.00 H new ATOM 1026 N GLN A 66 3.697 -6.051 26.472 1.00 0.00 N ATOM 1027 CA GLN A 66 2.757 -5.441 27.446 1.00 0.00 C ATOM 1028 C GLN A 66 2.546 -4.002 26.981 1.00 0.00 C ATOM 1029 O GLN A 66 3.444 -3.184 27.029 1.00 0.00 O ATOM 1030 CB GLN A 66 3.344 -5.454 28.861 1.00 0.00 C ATOM 1031 CG GLN A 66 2.245 -5.104 29.868 1.00 0.00 C ATOM 1032 CD GLN A 66 1.315 -6.304 30.051 1.00 0.00 C ATOM 1033 OE1 GLN A 66 1.669 -7.418 29.719 1.00 0.00 O ATOM 1034 NE2 GLN A 66 0.131 -6.122 30.569 1.00 0.00 N ATOM 0 H GLN A 66 3.275 -6.706 25.813 1.00 0.00 H new ATOM 0 HA GLN A 66 1.821 -5.998 27.485 1.00 0.00 H new ATOM 0 HB2 GLN A 66 3.760 -6.436 29.086 1.00 0.00 H new ATOM 0 HB3 GLN A 66 4.162 -4.737 28.934 1.00 0.00 H new ATOM 0 HG2 GLN A 66 2.689 -4.826 30.824 1.00 0.00 H new ATOM 0 HG3 GLN A 66 1.678 -4.242 29.517 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -0.166 -5.187 30.847 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -0.498 -6.915 30.695 1.00 0.00 H new ATOM 1043 N SER A 67 1.388 -3.700 26.483 1.00 0.00 N ATOM 1044 CA SER A 67 1.123 -2.341 25.958 1.00 0.00 C ATOM 1045 C SER A 67 -0.332 -2.303 25.556 1.00 0.00 C ATOM 1046 O SER A 67 -0.807 -3.175 24.862 1.00 0.00 O ATOM 1047 CB SER A 67 2.000 -2.109 24.731 1.00 0.00 C ATOM 1048 OG SER A 67 2.922 -1.061 24.997 1.00 0.00 O ATOM 0 H SER A 67 0.602 -4.347 26.416 1.00 0.00 H new ATOM 0 HA SER A 67 1.341 -1.573 26.700 1.00 0.00 H new ATOM 0 HB2 SER A 67 2.536 -3.023 24.476 1.00 0.00 H new ATOM 0 HB3 SER A 67 1.380 -1.853 23.872 1.00 0.00 H new ATOM 0 HG SER A 67 2.604 -0.232 24.581 1.00 0.00 H new ATOM 1054 N ILE A 68 -1.067 -1.335 25.977 1.00 0.00 N ATOM 1055 CA ILE A 68 -2.480 -1.334 25.597 1.00 0.00 C ATOM 1056 C ILE A 68 -2.595 -0.723 24.207 1.00 0.00 C ATOM 1057 O ILE A 68 -2.150 0.379 23.951 1.00 0.00 O ATOM 1058 CB ILE A 68 -3.253 -0.539 26.635 1.00 0.00 C ATOM 1059 CG1 ILE A 68 -3.977 -1.499 27.581 1.00 0.00 C ATOM 1060 CG2 ILE A 68 -4.260 0.344 25.930 1.00 0.00 C ATOM 1061 CD1 ILE A 68 -3.095 -2.724 27.860 1.00 0.00 C ATOM 0 H ILE A 68 -0.756 -0.557 26.558 1.00 0.00 H new ATOM 0 HA ILE A 68 -2.896 -2.341 25.564 1.00 0.00 H new ATOM 0 HB ILE A 68 -2.567 0.079 27.214 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -4.215 -0.991 28.516 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -4.922 -1.814 27.140 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -4.820 0.919 26.668 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -3.739 1.026 25.258 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -4.948 -0.276 25.355 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -3.618 -3.403 28.534 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -2.879 -3.238 26.923 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -2.161 -2.402 28.321 1.00 0.00 H new ATOM 1073 N VAL A 69 -3.153 -1.466 23.300 1.00 0.00 N ATOM 1074 CA VAL A 69 -3.269 -0.991 21.902 1.00 0.00 C ATOM 1075 C VAL A 69 -4.721 -0.689 21.563 1.00 0.00 C ATOM 1076 O VAL A 69 -5.639 -1.187 22.184 1.00 0.00 O ATOM 1077 CB VAL A 69 -2.793 -2.095 20.952 1.00 0.00 C ATOM 1078 CG1 VAL A 69 -3.487 -1.943 19.596 1.00 0.00 C ATOM 1079 CG2 VAL A 69 -1.277 -1.992 20.766 1.00 0.00 C ATOM 0 H VAL A 69 -3.539 -2.395 23.471 1.00 0.00 H new ATOM 0 HA VAL A 69 -2.665 -0.090 21.794 1.00 0.00 H new ATOM 0 HB VAL A 69 -3.041 -3.068 21.377 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -3.146 -2.730 18.923 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -4.566 -2.021 19.729 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -3.243 -0.970 19.170 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -0.939 -2.778 20.090 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -1.027 -1.018 20.344 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -0.783 -2.107 21.731 1.00 0.00 H new ATOM 1089 N HIS A 70 -4.930 0.082 20.542 1.00 0.00 N ATOM 1090 CA HIS A 70 -6.310 0.374 20.102 1.00 0.00 C ATOM 1091 C HIS A 70 -6.407 -0.063 18.642 1.00 0.00 C ATOM 1092 O HIS A 70 -5.925 0.601 17.745 1.00 0.00 O ATOM 1093 CB HIS A 70 -6.595 1.872 20.234 1.00 0.00 C ATOM 1094 CG HIS A 70 -8.003 2.163 19.784 1.00 0.00 C ATOM 1095 ND1 HIS A 70 -8.690 1.831 18.642 1.00 0.00 N flip ATOM 1096 CD2 HIS A 70 -8.889 2.900 20.557 1.00 0.00 C flip ATOM 1097 CE1 HIS A 70 -9.980 2.352 18.702 1.00 0.00 C flip ATOM 1098 NE2 HIS A 70 -10.047 2.987 19.875 1.00 0.00 N flip ATOM 0 H HIS A 70 -4.196 0.526 19.989 1.00 0.00 H new ATOM 0 HA HIS A 70 -7.041 -0.155 20.713 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -6.461 2.188 21.269 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -5.886 2.441 19.633 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -8.687 3.326 21.529 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -10.759 2.262 17.959 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -10.875 3.478 20.213 1.00 0.00 H new ATOM 1106 N ILE A 71 -7.009 -1.190 18.406 1.00 0.00 N ATOM 1107 CA ILE A 71 -7.130 -1.711 17.031 1.00 0.00 C ATOM 1108 C ILE A 71 -8.421 -1.177 16.402 1.00 0.00 C ATOM 1109 O ILE A 71 -9.430 -1.031 17.065 1.00 0.00 O ATOM 1110 CB ILE A 71 -7.106 -3.243 17.074 1.00 0.00 C ATOM 1111 CG1 ILE A 71 -8.489 -3.798 16.850 1.00 0.00 C ATOM 1112 CG2 ILE A 71 -6.537 -3.767 18.403 1.00 0.00 C ATOM 1113 CD1 ILE A 71 -8.592 -4.175 15.379 1.00 0.00 C ATOM 0 H ILE A 71 -7.429 -1.780 19.125 1.00 0.00 H new ATOM 0 HA ILE A 71 -6.295 -1.377 16.415 1.00 0.00 H new ATOM 0 HB ILE A 71 -6.449 -3.582 16.273 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -8.661 -4.669 17.483 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -9.247 -3.059 17.111 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -6.537 -4.857 18.394 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -5.517 -3.405 18.530 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -7.154 -3.411 19.228 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -9.583 -4.582 15.176 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -8.431 -3.289 14.764 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -7.836 -4.924 15.142 1.00 0.00 H new ATOM 1125 N VAL A 72 -8.400 -0.872 15.136 1.00 0.00 N ATOM 1126 CA VAL A 72 -9.630 -0.343 14.480 1.00 0.00 C ATOM 1127 C VAL A 72 -9.766 -0.967 13.090 1.00 0.00 C ATOM 1128 O VAL A 72 -8.797 -1.111 12.371 1.00 0.00 O ATOM 1129 CB VAL A 72 -9.525 1.178 14.354 1.00 0.00 C ATOM 1130 CG1 VAL A 72 -8.407 1.533 13.375 1.00 0.00 C ATOM 1131 CG2 VAL A 72 -10.852 1.736 13.837 1.00 0.00 C ATOM 0 H VAL A 72 -7.587 -0.965 14.527 1.00 0.00 H new ATOM 0 HA VAL A 72 -10.505 -0.595 15.079 1.00 0.00 H new ATOM 0 HB VAL A 72 -9.302 1.610 15.330 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -8.332 2.617 13.285 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -7.462 1.133 13.742 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -8.628 1.103 12.398 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -10.780 2.820 13.746 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -11.073 1.304 12.861 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -11.650 1.482 14.535 1.00 0.00 H new ATOM 1141 N GLN A 73 -10.954 -1.355 12.708 1.00 0.00 N ATOM 1142 CA GLN A 73 -11.137 -1.981 11.368 1.00 0.00 C ATOM 1143 C GLN A 73 -12.120 -1.160 10.524 1.00 0.00 C ATOM 1144 O GLN A 73 -13.283 -1.041 10.855 1.00 0.00 O ATOM 1145 CB GLN A 73 -11.686 -3.397 11.547 1.00 0.00 C ATOM 1146 CG GLN A 73 -12.044 -3.985 10.181 1.00 0.00 C ATOM 1147 CD GLN A 73 -13.448 -4.587 10.234 1.00 0.00 C ATOM 1148 OE1 GLN A 73 -14.222 -4.438 9.308 1.00 0.00 O ATOM 1149 NE2 GLN A 73 -13.814 -5.267 11.286 1.00 0.00 N ATOM 0 H GLN A 73 -11.803 -1.265 13.266 1.00 0.00 H new ATOM 0 HA GLN A 73 -10.175 -2.013 10.857 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -10.945 -4.025 12.042 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -12.567 -3.378 12.188 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -11.999 -3.209 9.417 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -11.320 -4.750 9.902 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -13.165 -5.393 12.063 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -14.749 -5.673 11.331 1.00 0.00 H new