USER MOD reduce.3.24.130724 H: found=0, std=0, add=673, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 674 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 80 GLN : amide:sc= 1.42 K(o=2.6,f=-1.2) USER MOD Set 1.2: A 102 THR OG1 : rot 112:sc= 1.22 USER MOD Set 2.1: A 30 THR OG1 : rot -127:sc= 2.06 USER MOD Set 2.2: A 63 TYR OH : rot -153:sc= 1.28 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.229 USER MOD Single : A 29 GLN : amide:sc= 0.481 K(o=0.48,f=-0.17) USER MOD Single : A 37 THR OG1 : rot 76:sc= 1.29 USER MOD Single : A 38 GLN : amide:sc= 0.514 K(o=0.51,f=-0.13) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot 180:sc=-0.00325 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 16:sc= 1.29 USER MOD Single : A 59 CYS SG : rot 180:sc= 0 USER MOD Single : A 62 MET CE :methyl -172:sc= -0.0236 (180deg=-0.156) USER MOD Single : A 66 LYS NZ :NH3+ 165:sc= 1.23 (180deg=0.955) USER MOD Single : A 69 SER OG : rot -156:sc= 1.26 USER MOD Single : A 73 LYS NZ :NH3+ 166:sc= 1.1 (180deg=0.984) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 81 HIS : no HD1:sc= -0.0355 X(o=-0.035,f=-0.13) USER MOD Single : A 82 GLN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 83 MET CE :methyl 180:sc= -0.139 (180deg=-0.139) USER MOD Single : A 85 ASN : amide:sc= 0.42 K(o=0.42,f=-0.17) USER MOD Single : A 86 GLN : amide:sc= 0.554 K(o=0.55,f=-0.77) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 LYS NZ :NH3+ 163:sc= -0.0205 (180deg=-0.219) USER MOD Single : A 95 MET CE :methyl -156:sc= -0.62 (180deg=-1.81) USER MOD Single : A 96 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 103 SER OG : rot 137:sc= 1.22 USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 27 15.341 7.752 9.474 1.00 4.83 N ATOM 2 CA ALA A 27 14.164 7.184 8.788 1.00 3.60 C ATOM 3 C ALA A 27 14.411 5.764 8.267 1.00 2.65 C ATOM 4 O ALA A 27 13.516 4.931 8.410 1.00 3.38 O ATOM 5 CB ALA A 27 13.649 8.098 7.668 1.00 3.70 C ATOM 0 HA ALA A 27 13.384 7.116 9.546 1.00 3.60 H new ATOM 0 HB1 ALA A 27 12.783 7.638 7.193 1.00 3.70 H new ATOM 0 HB2 ALA A 27 13.363 9.062 8.088 1.00 3.70 H new ATOM 0 HB3 ALA A 27 14.435 8.244 6.927 1.00 3.70 H new ATOM 13 N THR A 28 15.573 5.485 7.654 1.00 2.18 N ATOM 14 CA THR A 28 15.952 4.215 6.988 1.00 1.55 C ATOM 15 C THR A 28 14.981 3.710 5.903 1.00 1.21 C ATOM 16 O THR A 28 13.948 4.322 5.614 1.00 1.92 O ATOM 17 CB THR A 28 16.411 3.130 7.992 1.00 2.35 C ATOM 18 OG1 THR A 28 17.178 2.164 7.304 1.00 3.50 O ATOM 19 CG2 THR A 28 15.301 2.376 8.724 1.00 2.68 C ATOM 0 H THR A 28 16.321 6.176 7.604 1.00 2.18 H new ATOM 0 HA THR A 28 16.833 4.473 6.400 1.00 1.55 H new ATOM 0 HB THR A 28 16.966 3.681 8.752 1.00 2.35 H new ATOM 0 HG1 THR A 28 17.475 1.473 7.933 1.00 3.50 H new ATOM 0 HG21 THR A 28 15.743 1.643 9.399 1.00 2.68 H new ATOM 0 HG22 THR A 28 14.699 3.081 9.298 1.00 2.68 H new ATOM 0 HG23 THR A 28 14.668 1.865 7.998 1.00 2.68 H new ATOM 27 N GLN A 29 15.347 2.617 5.232 1.00 0.91 N ATOM 28 CA GLN A 29 14.631 1.979 4.126 1.00 0.64 C ATOM 29 C GLN A 29 14.946 0.475 4.102 1.00 0.45 C ATOM 30 O GLN A 29 16.049 0.056 4.466 1.00 0.65 O ATOM 31 CB GLN A 29 15.037 2.653 2.795 1.00 0.76 C ATOM 32 CG GLN A 29 13.785 2.999 1.985 1.00 0.90 C ATOM 33 CD GLN A 29 13.989 4.083 0.935 1.00 1.43 C ATOM 34 OE1 GLN A 29 15.092 4.439 0.530 1.00 1.93 O ATOM 35 NE2 GLN A 29 12.898 4.655 0.497 1.00 1.96 N ATOM 0 H GLN A 29 16.208 2.121 5.462 1.00 0.91 H new ATOM 0 HA GLN A 29 13.556 2.099 4.262 1.00 0.64 H new ATOM 0 HB2 GLN A 29 15.613 3.557 2.995 1.00 0.76 H new ATOM 0 HB3 GLN A 29 15.680 1.986 2.221 1.00 0.76 H new ATOM 0 HG2 GLN A 29 13.427 2.096 1.491 1.00 0.90 H new ATOM 0 HG3 GLN A 29 13.001 3.319 2.671 1.00 0.90 H new ATOM 0 HE21 GLN A 29 11.988 4.349 0.842 1.00 1.96 H new ATOM 0 HE22 GLN A 29 12.957 5.407 -0.190 1.00 1.96 H new ATOM 44 N THR A 30 14.013 -0.346 3.622 1.00 0.39 N ATOM 45 CA THR A 30 14.223 -1.783 3.347 1.00 0.40 C ATOM 46 C THR A 30 14.084 -2.072 1.853 1.00 0.52 C ATOM 47 O THR A 30 13.553 -1.247 1.117 1.00 0.66 O ATOM 48 CB THR A 30 13.299 -2.677 4.188 1.00 0.52 C ATOM 49 OG1 THR A 30 11.958 -2.261 4.121 1.00 0.89 O ATOM 50 CG2 THR A 30 13.694 -2.614 5.658 1.00 0.61 C ATOM 0 H THR A 30 13.067 -0.032 3.406 1.00 0.39 H new ATOM 0 HA THR A 30 15.242 -2.029 3.645 1.00 0.40 H new ATOM 0 HB THR A 30 13.401 -3.684 3.783 1.00 0.52 H new ATOM 0 HG1 THR A 30 11.607 -2.141 5.028 1.00 0.89 H new ATOM 0 HG21 THR A 30 13.030 -3.253 6.241 1.00 0.61 H new ATOM 0 HG22 THR A 30 14.722 -2.958 5.774 1.00 0.61 H new ATOM 0 HG23 THR A 30 13.613 -1.587 6.013 1.00 0.61 H new ATOM 58 N GLU A 31 14.542 -3.226 1.366 1.00 0.52 N ATOM 59 CA GLU A 31 14.337 -3.610 -0.041 1.00 0.54 C ATOM 60 C GLU A 31 12.849 -3.826 -0.351 1.00 0.46 C ATOM 61 O GLU A 31 12.381 -3.473 -1.435 1.00 0.52 O ATOM 62 CB GLU A 31 15.154 -4.870 -0.353 1.00 0.68 C ATOM 63 CG GLU A 31 16.614 -4.524 -0.657 1.00 0.87 C ATOM 64 CD GLU A 31 17.430 -5.779 -0.984 1.00 1.75 C ATOM 65 OE1 GLU A 31 17.577 -6.099 -2.192 1.00 2.89 O ATOM 66 OE2 GLU A 31 17.950 -6.415 -0.032 1.00 2.87 O ATOM 0 H GLU A 31 15.056 -3.912 1.918 1.00 0.52 H new ATOM 0 HA GLU A 31 14.682 -2.796 -0.679 1.00 0.54 H new ATOM 0 HB2 GLU A 31 15.109 -5.554 0.494 1.00 0.68 H new ATOM 0 HB3 GLU A 31 14.716 -5.389 -1.206 1.00 0.68 H new ATOM 0 HG2 GLU A 31 16.658 -3.831 -1.497 1.00 0.87 H new ATOM 0 HG3 GLU A 31 17.055 -4.015 0.200 1.00 0.87 H new ATOM 73 N GLY A 32 12.089 -4.308 0.638 1.00 0.42 N ATOM 74 CA GLY A 32 10.640 -4.421 0.580 1.00 0.39 C ATOM 75 C GLY A 32 9.960 -3.063 0.421 1.00 0.33 C ATOM 76 O GLY A 32 9.002 -2.975 -0.326 1.00 0.41 O ATOM 0 H GLY A 32 12.481 -4.637 1.520 1.00 0.42 H new ATOM 0 HA2 GLY A 32 10.361 -5.065 -0.254 1.00 0.39 H new ATOM 0 HA3 GLY A 32 10.278 -4.902 1.489 1.00 0.39 H new ATOM 80 N GLU A 33 10.479 -1.983 1.015 1.00 0.27 N ATOM 81 CA GLU A 33 9.981 -0.614 0.837 1.00 0.28 C ATOM 82 C GLU A 33 9.899 -0.223 -0.652 1.00 0.29 C ATOM 83 O GLU A 33 8.850 0.171 -1.176 1.00 0.29 O ATOM 84 CB GLU A 33 10.948 0.303 1.610 1.00 0.29 C ATOM 85 CG GLU A 33 10.328 1.515 2.279 1.00 0.37 C ATOM 86 CD GLU A 33 10.252 2.771 1.392 1.00 0.34 C ATOM 87 OE1 GLU A 33 10.534 3.875 1.915 1.00 1.26 O ATOM 88 OE2 GLU A 33 10.020 2.694 0.169 1.00 1.14 O ATOM 0 H GLU A 33 11.277 -2.038 1.648 1.00 0.27 H new ATOM 0 HA GLU A 33 8.964 -0.521 1.218 1.00 0.28 H new ATOM 0 HB2 GLU A 33 11.448 -0.292 2.374 1.00 0.29 H new ATOM 0 HB3 GLU A 33 11.718 0.648 0.920 1.00 0.29 H new ATOM 0 HG2 GLU A 33 9.321 1.257 2.607 1.00 0.37 H new ATOM 0 HG3 GLU A 33 10.903 1.753 3.174 1.00 0.37 H new ATOM 95 N LEU A 34 11.012 -0.444 -1.354 1.00 0.33 N ATOM 96 CA LEU A 34 11.216 -0.097 -2.756 1.00 0.42 C ATOM 97 C LEU A 34 10.365 -0.986 -3.659 1.00 0.43 C ATOM 98 O LEU A 34 9.603 -0.487 -4.487 1.00 0.49 O ATOM 99 CB LEU A 34 12.703 -0.273 -3.110 1.00 0.49 C ATOM 100 CG LEU A 34 13.713 0.246 -2.080 1.00 0.50 C ATOM 101 CD1 LEU A 34 15.137 0.022 -2.587 1.00 0.58 C ATOM 102 CD2 LEU A 34 13.520 1.728 -1.765 1.00 0.55 C ATOM 0 H LEU A 34 11.830 -0.890 -0.939 1.00 0.33 H new ATOM 0 HA LEU A 34 10.918 0.940 -2.911 1.00 0.42 H new ATOM 0 HB2 LEU A 34 12.893 -1.334 -3.271 1.00 0.49 H new ATOM 0 HB3 LEU A 34 12.891 0.232 -4.058 1.00 0.49 H new ATOM 0 HG LEU A 34 13.544 -0.314 -1.160 1.00 0.50 H new ATOM 0 HD11 LEU A 34 15.848 0.393 -1.849 1.00 0.58 H new ATOM 0 HD12 LEU A 34 15.303 -1.043 -2.747 1.00 0.58 H new ATOM 0 HD13 LEU A 34 15.277 0.556 -3.527 1.00 0.58 H new ATOM 0 HD21 LEU A 34 14.261 2.043 -1.030 1.00 0.55 H new ATOM 0 HD22 LEU A 34 13.641 2.313 -2.677 1.00 0.55 H new ATOM 0 HD23 LEU A 34 12.520 1.887 -1.362 1.00 0.55 H new ATOM 114 N ARG A 35 10.459 -2.302 -3.436 1.00 0.40 N ATOM 115 CA ARG A 35 9.708 -3.356 -4.135 1.00 0.43 C ATOM 116 C ARG A 35 8.206 -3.150 -4.007 1.00 0.40 C ATOM 117 O ARG A 35 7.492 -3.176 -5.006 1.00 0.45 O ATOM 118 CB ARG A 35 10.137 -4.712 -3.560 1.00 0.45 C ATOM 119 CG ARG A 35 9.275 -5.886 -4.060 1.00 0.49 C ATOM 120 CD ARG A 35 10.116 -7.039 -4.633 1.00 0.57 C ATOM 121 NE ARG A 35 10.418 -8.065 -3.616 1.00 1.28 N ATOM 122 CZ ARG A 35 11.313 -8.001 -2.645 1.00 2.30 C ATOM 123 NH1 ARG A 35 12.239 -7.095 -2.569 1.00 3.15 N ATOM 124 NH2 ARG A 35 11.305 -8.862 -1.674 1.00 3.09 N ATOM 0 H ARG A 35 11.090 -2.681 -2.730 1.00 0.40 H new ATOM 0 HA ARG A 35 9.933 -3.320 -5.201 1.00 0.43 H new ATOM 0 HB2 ARG A 35 11.178 -4.897 -3.823 1.00 0.45 H new ATOM 0 HB3 ARG A 35 10.086 -4.670 -2.472 1.00 0.45 H new ATOM 0 HG2 ARG A 35 8.666 -6.260 -3.237 1.00 0.49 H new ATOM 0 HG3 ARG A 35 8.589 -5.527 -4.827 1.00 0.49 H new ATOM 0 HD2 ARG A 35 9.581 -7.499 -5.464 1.00 0.57 H new ATOM 0 HD3 ARG A 35 11.048 -6.642 -5.035 1.00 0.57 H new ATOM 0 HE ARG A 35 9.872 -8.925 -3.668 1.00 1.28 H new ATOM 0 HH11 ARG A 35 12.307 -6.374 -3.287 1.00 3.15 H new ATOM 0 HH12 ARG A 35 12.899 -7.104 -1.791 1.00 3.15 H new ATOM 0 HH21 ARG A 35 10.602 -9.601 -1.653 1.00 3.09 H new ATOM 0 HH22 ARG A 35 12.002 -8.800 -0.932 1.00 3.09 H new ATOM 138 N VAL A 36 7.732 -2.907 -2.788 1.00 0.34 N ATOM 139 CA VAL A 36 6.314 -2.665 -2.534 1.00 0.32 C ATOM 140 C VAL A 36 5.914 -1.393 -3.281 1.00 0.34 C ATOM 141 O VAL A 36 4.912 -1.406 -3.991 1.00 0.36 O ATOM 142 CB VAL A 36 6.002 -2.562 -1.027 1.00 0.27 C ATOM 143 CG1 VAL A 36 4.624 -1.951 -0.746 1.00 0.30 C ATOM 144 CG2 VAL A 36 6.045 -3.967 -0.408 1.00 0.24 C ATOM 0 H VAL A 36 8.316 -2.872 -1.952 1.00 0.34 H new ATOM 0 HA VAL A 36 5.730 -3.511 -2.897 1.00 0.32 H new ATOM 0 HB VAL A 36 6.754 -1.906 -0.588 1.00 0.27 H new ATOM 0 HG11 VAL A 36 4.460 -1.904 0.330 1.00 0.30 H new ATOM 0 HG12 VAL A 36 4.580 -0.945 -1.164 1.00 0.30 H new ATOM 0 HG13 VAL A 36 3.852 -2.569 -1.204 1.00 0.30 H new ATOM 0 HG21 VAL A 36 5.825 -3.902 0.658 1.00 0.24 H new ATOM 0 HG22 VAL A 36 5.303 -4.601 -0.893 1.00 0.24 H new ATOM 0 HG23 VAL A 36 7.037 -4.396 -0.548 1.00 0.24 H new ATOM 154 N THR A 37 6.734 -0.330 -3.225 1.00 0.33 N ATOM 155 CA THR A 37 6.451 0.906 -3.967 1.00 0.34 C ATOM 156 C THR A 37 6.327 0.658 -5.472 1.00 0.35 C ATOM 157 O THR A 37 5.420 1.196 -6.100 1.00 0.36 O ATOM 158 CB THR A 37 7.495 2.003 -3.706 1.00 0.36 C ATOM 159 OG1 THR A 37 7.681 2.318 -2.345 1.00 0.36 O ATOM 160 CG2 THR A 37 7.164 3.329 -4.391 1.00 0.42 C ATOM 0 H THR A 37 7.593 -0.303 -2.676 1.00 0.33 H new ATOM 0 HA THR A 37 5.490 1.258 -3.592 1.00 0.34 H new ATOM 0 HB THR A 37 8.400 1.556 -4.118 1.00 0.36 H new ATOM 0 HG1 THR A 37 8.214 1.616 -1.917 1.00 0.36 H new ATOM 0 HG21 THR A 37 7.941 4.059 -4.165 1.00 0.42 H new ATOM 0 HG22 THR A 37 7.110 3.178 -5.469 1.00 0.42 H new ATOM 0 HG23 THR A 37 6.204 3.697 -4.028 1.00 0.42 H new ATOM 168 N GLN A 38 7.177 -0.193 -6.049 1.00 0.36 N ATOM 169 CA GLN A 38 7.162 -0.490 -7.484 1.00 0.37 C ATOM 170 C GLN A 38 5.868 -1.183 -7.930 1.00 0.36 C ATOM 171 O GLN A 38 5.275 -0.774 -8.934 1.00 0.45 O ATOM 172 CB GLN A 38 8.357 -1.370 -7.879 1.00 0.42 C ATOM 173 CG GLN A 38 9.769 -0.779 -7.740 1.00 0.61 C ATOM 174 CD GLN A 38 9.835 0.742 -7.821 1.00 0.84 C ATOM 175 OE1 GLN A 38 9.762 1.346 -8.888 1.00 1.90 O ATOM 176 NE2 GLN A 38 9.943 1.404 -6.692 1.00 0.74 N ATOM 0 H GLN A 38 7.898 -0.698 -5.533 1.00 0.36 H new ATOM 0 HA GLN A 38 7.227 0.474 -7.989 1.00 0.37 H new ATOM 0 HB2 GLN A 38 8.315 -2.278 -7.278 1.00 0.42 H new ATOM 0 HB3 GLN A 38 8.222 -1.669 -8.918 1.00 0.42 H new ATOM 0 HG2 GLN A 38 10.189 -1.097 -6.785 1.00 0.61 H new ATOM 0 HG3 GLN A 38 10.402 -1.199 -8.522 1.00 0.61 H new ATOM 0 HE21 GLN A 38 10.003 0.898 -5.808 1.00 0.74 H new ATOM 0 HE22 GLN A 38 9.967 2.424 -6.699 1.00 0.74 H new ATOM 185 N ILE A 39 5.400 -2.189 -7.181 1.00 0.33 N ATOM 186 CA ILE A 39 4.170 -2.916 -7.534 1.00 0.34 C ATOM 187 C ILE A 39 2.945 -2.023 -7.282 1.00 0.32 C ATOM 188 O ILE A 39 1.964 -2.074 -8.022 1.00 0.33 O ATOM 189 CB ILE A 39 4.055 -4.276 -6.807 1.00 0.37 C ATOM 190 CG1 ILE A 39 5.315 -5.156 -6.960 1.00 0.39 C ATOM 191 CG2 ILE A 39 2.845 -5.027 -7.397 1.00 0.43 C ATOM 192 CD1 ILE A 39 5.336 -6.334 -5.979 1.00 0.63 C ATOM 0 H ILE A 39 5.852 -2.519 -6.328 1.00 0.33 H new ATOM 0 HA ILE A 39 4.213 -3.154 -8.597 1.00 0.34 H new ATOM 0 HB ILE A 39 3.937 -4.077 -5.742 1.00 0.37 H new ATOM 0 HG12 ILE A 39 5.366 -5.537 -7.980 1.00 0.39 H new ATOM 0 HG13 ILE A 39 6.203 -4.543 -6.804 1.00 0.39 H new ATOM 0 HG21 ILE A 39 2.739 -5.992 -6.902 1.00 0.43 H new ATOM 0 HG22 ILE A 39 1.941 -4.439 -7.242 1.00 0.43 H new ATOM 0 HG23 ILE A 39 2.998 -5.182 -8.465 1.00 0.43 H new ATOM 0 HD11 ILE A 39 6.244 -6.918 -6.131 1.00 0.63 H new ATOM 0 HD12 ILE A 39 5.315 -5.957 -4.957 1.00 0.63 H new ATOM 0 HD13 ILE A 39 4.465 -6.966 -6.151 1.00 0.63 H new ATOM 204 N LEU A 40 3.014 -1.126 -6.294 1.00 0.30 N ATOM 205 CA LEU A 40 1.971 -0.134 -6.042 1.00 0.27 C ATOM 206 C LEU A 40 1.734 0.815 -7.220 1.00 0.28 C ATOM 207 O LEU A 40 0.579 1.110 -7.521 1.00 0.29 O ATOM 208 CB LEU A 40 2.302 0.636 -4.754 1.00 0.27 C ATOM 209 CG LEU A 40 1.987 -0.186 -3.493 1.00 0.30 C ATOM 210 CD1 LEU A 40 2.389 0.617 -2.257 1.00 0.48 C ATOM 211 CD2 LEU A 40 0.511 -0.566 -3.352 1.00 0.26 C ATOM 0 H LEU A 40 3.799 -1.069 -5.645 1.00 0.30 H new ATOM 0 HA LEU A 40 1.031 -0.671 -5.916 1.00 0.27 H new ATOM 0 HB2 LEU A 40 3.358 0.907 -4.755 1.00 0.27 H new ATOM 0 HB3 LEU A 40 1.734 1.566 -4.732 1.00 0.27 H new ATOM 0 HG LEU A 40 2.554 -1.113 -3.586 1.00 0.30 H new ATOM 0 HD11 LEU A 40 2.168 0.039 -1.360 1.00 0.48 H new ATOM 0 HD12 LEU A 40 3.457 0.834 -2.295 1.00 0.48 H new ATOM 0 HD13 LEU A 40 1.830 1.552 -2.233 1.00 0.48 H new ATOM 0 HD21 LEU A 40 0.370 -1.144 -2.439 1.00 0.26 H new ATOM 0 HD22 LEU A 40 -0.095 0.339 -3.306 1.00 0.26 H new ATOM 0 HD23 LEU A 40 0.206 -1.164 -4.211 1.00 0.26 H new ATOM 223 N LYS A 41 2.783 1.230 -7.938 1.00 0.30 N ATOM 224 CA LYS A 41 2.643 2.071 -9.149 1.00 0.32 C ATOM 225 C LYS A 41 1.916 1.377 -10.292 1.00 0.37 C ATOM 226 O LYS A 41 1.333 2.043 -11.142 1.00 0.44 O ATOM 227 CB LYS A 41 3.982 2.585 -9.676 1.00 0.41 C ATOM 228 CG LYS A 41 4.774 3.199 -8.536 1.00 0.48 C ATOM 229 CD LYS A 41 5.643 4.375 -8.970 1.00 0.74 C ATOM 230 CE LYS A 41 6.579 4.733 -7.819 1.00 0.98 C ATOM 231 NZ LYS A 41 7.283 6.019 -8.051 1.00 1.45 N ATOM 0 H LYS A 41 3.749 0.999 -7.705 1.00 0.30 H new ATOM 0 HA LYS A 41 2.039 2.912 -8.809 1.00 0.32 H new ATOM 0 HB2 LYS A 41 4.546 1.767 -10.125 1.00 0.41 H new ATOM 0 HB3 LYS A 41 3.817 3.326 -10.458 1.00 0.41 H new ATOM 0 HG2 LYS A 41 4.083 3.533 -7.761 1.00 0.48 H new ATOM 0 HG3 LYS A 41 5.408 2.433 -8.089 1.00 0.48 H new ATOM 0 HD2 LYS A 41 6.217 4.114 -9.859 1.00 0.74 H new ATOM 0 HD3 LYS A 41 5.020 5.230 -9.232 1.00 0.74 H new ATOM 0 HE2 LYS A 41 6.007 4.795 -6.893 1.00 0.98 H new ATOM 0 HE3 LYS A 41 7.312 3.937 -7.688 1.00 0.98 H new ATOM 0 HZ1 LYS A 41 7.908 6.223 -7.245 1.00 1.45 H new ATOM 0 HZ2 LYS A 41 7.850 5.953 -8.920 1.00 1.45 H new ATOM 0 HZ3 LYS A 41 6.585 6.784 -8.150 1.00 1.45 H new ATOM 245 N GLU A 42 1.959 0.049 -10.332 1.00 0.41 N ATOM 246 CA GLU A 42 1.290 -0.782 -11.288 1.00 0.39 C ATOM 247 C GLU A 42 -0.127 -1.134 -10.891 1.00 0.39 C ATOM 248 O GLU A 42 -1.006 -1.138 -11.756 1.00 0.44 O ATOM 249 CB GLU A 42 2.087 -2.055 -11.372 1.00 0.35 C ATOM 250 CG GLU A 42 3.259 -2.080 -12.327 1.00 0.47 C ATOM 251 CD GLU A 42 3.796 -3.495 -12.630 1.00 1.05 C ATOM 252 OE1 GLU A 42 2.992 -4.378 -13.036 1.00 2.21 O ATOM 253 OE2 GLU A 42 5.024 -3.742 -12.523 1.00 1.69 O ATOM 0 H GLU A 42 2.496 -0.492 -9.654 1.00 0.41 H new ATOM 0 HA GLU A 42 1.225 -0.243 -12.233 1.00 0.39 H new ATOM 0 HB2 GLU A 42 2.461 -2.285 -10.374 1.00 0.35 H new ATOM 0 HB3 GLU A 42 1.407 -2.860 -11.651 1.00 0.35 H new ATOM 0 HG2 GLU A 42 2.961 -1.608 -13.263 1.00 0.47 H new ATOM 0 HG3 GLU A 42 4.067 -1.478 -11.910 1.00 0.47 H new ATOM 260 N LYS A 43 -0.373 -1.417 -9.605 1.00 0.38 N ATOM 261 CA LYS A 43 -1.737 -1.656 -9.179 1.00 0.37 C ATOM 262 C LYS A 43 -2.544 -0.365 -9.090 1.00 0.33 C ATOM 263 O LYS A 43 -3.758 -0.419 -9.292 1.00 0.37 O ATOM 264 CB LYS A 43 -1.844 -2.504 -7.905 1.00 0.35 C ATOM 265 CG LYS A 43 -1.103 -3.841 -7.885 1.00 0.48 C ATOM 266 CD LYS A 43 -1.421 -4.745 -9.081 1.00 0.73 C ATOM 267 CE LYS A 43 -0.384 -5.865 -9.223 1.00 1.01 C ATOM 268 NZ LYS A 43 -0.597 -6.631 -10.472 1.00 1.48 N ATOM 0 H LYS A 43 0.334 -1.482 -8.873 1.00 0.38 H new ATOM 0 HA LYS A 43 -2.189 -2.262 -9.964 1.00 0.37 H new ATOM 0 HB2 LYS A 43 -1.480 -1.905 -7.070 1.00 0.35 H new ATOM 0 HB3 LYS A 43 -2.900 -2.701 -7.720 1.00 0.35 H new ATOM 0 HG2 LYS A 43 -0.030 -3.650 -7.861 1.00 0.48 H new ATOM 0 HG3 LYS A 43 -1.353 -4.370 -6.965 1.00 0.48 H new ATOM 0 HD2 LYS A 43 -2.413 -5.179 -8.958 1.00 0.73 H new ATOM 0 HD3 LYS A 43 -1.444 -4.150 -9.994 1.00 0.73 H new ATOM 0 HE2 LYS A 43 0.619 -5.439 -9.220 1.00 1.01 H new ATOM 0 HE3 LYS A 43 -0.448 -6.535 -8.366 1.00 1.01 H new ATOM 0 HZ1 LYS A 43 0.118 -7.383 -10.544 1.00 1.48 H new ATOM 0 HZ2 LYS A 43 -1.546 -7.056 -10.461 1.00 1.48 H new ATOM 0 HZ3 LYS A 43 -0.512 -5.993 -11.289 1.00 1.48 H new ATOM 282 N PHE A 44 -1.885 0.781 -8.881 1.00 0.29 N ATOM 283 CA PHE A 44 -2.548 2.084 -8.756 1.00 0.25 C ATOM 284 C PHE A 44 -2.062 3.265 -9.635 1.00 0.29 C ATOM 285 O PHE A 44 -1.906 4.380 -9.140 1.00 0.34 O ATOM 286 CB PHE A 44 -2.680 2.433 -7.258 1.00 0.22 C ATOM 287 CG PHE A 44 -3.309 1.346 -6.400 1.00 0.20 C ATOM 288 CD1 PHE A 44 -2.513 0.441 -5.666 1.00 2.11 C ATOM 289 CD2 PHE A 44 -4.708 1.215 -6.378 1.00 1.93 C ATOM 290 CE1 PHE A 44 -3.112 -0.596 -4.930 1.00 2.11 C ATOM 291 CE2 PHE A 44 -5.308 0.178 -5.645 1.00 1.93 C ATOM 292 CZ PHE A 44 -4.510 -0.727 -4.929 1.00 0.22 C ATOM 0 H PHE A 44 -0.870 0.830 -8.793 1.00 0.29 H new ATOM 0 HA PHE A 44 -3.527 1.940 -9.214 1.00 0.25 H new ATOM 0 HB2 PHE A 44 -1.689 2.659 -6.864 1.00 0.22 H new ATOM 0 HB3 PHE A 44 -3.275 3.341 -7.163 1.00 0.22 H new ATOM 0 HD1 PHE A 44 -1.438 0.546 -5.670 1.00 2.11 H new ATOM 0 HD2 PHE A 44 -5.323 1.913 -6.926 1.00 1.93 H new ATOM 0 HE1 PHE A 44 -2.501 -1.287 -4.369 1.00 2.11 H new ATOM 0 HE2 PHE A 44 -6.383 0.077 -5.633 1.00 1.93 H new ATOM 0 HZ PHE A 44 -4.974 -1.529 -4.374 1.00 0.22 H new ATOM 302 N PRO A 45 -1.909 3.093 -10.962 1.00 0.37 N ATOM 303 CA PRO A 45 -1.555 4.162 -11.911 1.00 0.47 C ATOM 304 C PRO A 45 -2.628 5.239 -12.114 1.00 0.53 C ATOM 305 O PRO A 45 -2.323 6.294 -12.677 1.00 0.73 O ATOM 306 CB PRO A 45 -1.235 3.449 -13.231 1.00 0.53 C ATOM 307 CG PRO A 45 -2.078 2.182 -13.133 1.00 0.49 C ATOM 308 CD PRO A 45 -1.936 1.829 -11.663 1.00 0.40 C ATOM 0 HA PRO A 45 -0.712 4.725 -11.510 1.00 0.47 H new ATOM 0 HB2 PRO A 45 -1.509 4.053 -14.096 1.00 0.53 H new ATOM 0 HB3 PRO A 45 -0.173 3.224 -13.324 1.00 0.53 H new ATOM 0 HG2 PRO A 45 -3.117 2.359 -13.413 1.00 0.49 H new ATOM 0 HG3 PRO A 45 -1.704 1.390 -13.782 1.00 0.49 H new ATOM 0 HD2 PRO A 45 -2.768 1.211 -11.326 1.00 0.40 H new ATOM 0 HD3 PRO A 45 -1.024 1.261 -11.482 1.00 0.40 H new ATOM 316 N ARG A 46 -3.869 5.032 -11.658 1.00 0.47 N ATOM 317 CA ARG A 46 -4.883 6.101 -11.617 1.00 0.56 C ATOM 318 C ARG A 46 -4.688 7.108 -10.473 1.00 0.41 C ATOM 319 O ARG A 46 -5.274 8.195 -10.519 1.00 0.55 O ATOM 320 CB ARG A 46 -6.292 5.490 -11.560 1.00 0.77 C ATOM 321 CG ARG A 46 -6.697 4.676 -12.773 1.00 1.03 C ATOM 322 CD ARG A 46 -7.125 5.547 -13.931 1.00 1.74 C ATOM 323 NE ARG A 46 -8.383 6.258 -13.665 1.00 3.62 N ATOM 324 CZ ARG A 46 -8.613 7.555 -13.611 1.00 5.18 C ATOM 325 NH1 ARG A 46 -7.715 8.476 -13.840 1.00 5.48 N ATOM 326 NH2 ARG A 46 -9.810 7.921 -13.291 1.00 7.01 N ATOM 0 H ARG A 46 -4.199 4.132 -11.310 1.00 0.47 H new ATOM 0 HA ARG A 46 -4.758 6.672 -12.537 1.00 0.56 H new ATOM 0 HB2 ARG A 46 -6.358 4.853 -10.678 1.00 0.77 H new ATOM 0 HB3 ARG A 46 -7.014 6.296 -11.427 1.00 0.77 H new ATOM 0 HG2 ARG A 46 -5.861 4.049 -13.083 1.00 1.03 H new ATOM 0 HG3 ARG A 46 -7.514 4.007 -12.503 1.00 1.03 H new ATOM 0 HD2 ARG A 46 -6.340 6.272 -14.146 1.00 1.74 H new ATOM 0 HD3 ARG A 46 -7.241 4.930 -14.822 1.00 1.74 H new ATOM 0 HE ARG A 46 -9.194 5.663 -13.498 1.00 3.62 H new ATOM 0 HH11 ARG A 46 -6.760 8.209 -14.080 1.00 5.48 H new ATOM 0 HH12 ARG A 46 -7.969 9.462 -13.779 1.00 5.48 H new ATOM 0 HH21 ARG A 46 -10.523 7.218 -13.095 1.00 7.01 H new ATOM 0 HH22 ARG A 46 -10.042 8.913 -13.235 1.00 7.01 H new ATOM 340 N ALA A 47 -3.886 6.768 -9.465 1.00 0.27 N ATOM 341 CA ALA A 47 -3.808 7.464 -8.182 1.00 0.27 C ATOM 342 C ALA A 47 -3.286 8.911 -8.233 1.00 0.29 C ATOM 343 O ALA A 47 -2.453 9.276 -9.071 1.00 0.42 O ATOM 344 CB ALA A 47 -2.954 6.612 -7.242 1.00 0.32 C ATOM 0 H ALA A 47 -3.250 5.972 -9.522 1.00 0.27 H new ATOM 0 HA ALA A 47 -4.831 7.577 -7.823 1.00 0.27 H new ATOM 0 HB1 ALA A 47 -2.876 7.106 -6.273 1.00 0.32 H new ATOM 0 HB2 ALA A 47 -3.418 5.634 -7.115 1.00 0.32 H new ATOM 0 HB3 ALA A 47 -1.958 6.488 -7.667 1.00 0.32 H new ATOM 350 N THR A 48 -3.723 9.720 -7.260 1.00 0.24 N ATOM 351 CA THR A 48 -3.157 11.051 -6.984 1.00 0.25 C ATOM 352 C THR A 48 -2.185 11.037 -5.802 1.00 0.30 C ATOM 353 O THR A 48 -1.285 11.873 -5.785 1.00 0.49 O ATOM 354 CB THR A 48 -4.228 12.131 -6.791 1.00 0.40 C ATOM 355 OG1 THR A 48 -4.914 11.915 -5.590 1.00 0.63 O ATOM 356 CG2 THR A 48 -5.263 12.167 -7.914 1.00 0.45 C ATOM 0 H THR A 48 -4.488 9.468 -6.634 1.00 0.24 H new ATOM 0 HA THR A 48 -2.593 11.314 -7.879 1.00 0.25 H new ATOM 0 HB THR A 48 -3.694 13.081 -6.788 1.00 0.40 H new ATOM 0 HG1 THR A 48 -5.595 12.610 -5.473 1.00 0.63 H new ATOM 0 HG21 THR A 48 -5.990 12.954 -7.713 1.00 0.45 H new ATOM 0 HG22 THR A 48 -4.764 12.367 -8.862 1.00 0.45 H new ATOM 0 HG23 THR A 48 -5.774 11.206 -7.969 1.00 0.45 H new ATOM 364 N ALA A 49 -2.268 10.068 -4.879 1.00 0.24 N ATOM 365 CA ALA A 49 -1.171 9.736 -3.955 1.00 0.26 C ATOM 366 C ALA A 49 -0.812 8.238 -4.018 1.00 0.24 C ATOM 367 O ALA A 49 -1.709 7.406 -4.125 1.00 0.24 O ATOM 368 CB ALA A 49 -1.553 10.170 -2.534 1.00 0.31 C ATOM 0 H ALA A 49 -3.099 9.491 -4.751 1.00 0.24 H new ATOM 0 HA ALA A 49 -0.277 10.280 -4.258 1.00 0.26 H new ATOM 0 HB1 ALA A 49 -0.742 9.925 -1.848 1.00 0.31 H new ATOM 0 HB2 ALA A 49 -1.730 11.245 -2.517 1.00 0.31 H new ATOM 0 HB3 ALA A 49 -2.459 9.648 -2.225 1.00 0.31 H new ATOM 374 N ILE A 50 0.484 7.903 -3.937 1.00 0.28 N ATOM 375 CA ILE A 50 1.051 6.541 -3.808 1.00 0.30 C ATOM 376 C ILE A 50 2.463 6.605 -3.201 1.00 0.34 C ATOM 377 O ILE A 50 3.427 6.967 -3.884 1.00 0.46 O ATOM 378 CB ILE A 50 1.121 5.770 -5.162 1.00 0.34 C ATOM 379 CG1 ILE A 50 1.328 6.683 -6.397 1.00 0.39 C ATOM 380 CG2 ILE A 50 -0.097 4.850 -5.336 1.00 0.34 C ATOM 381 CD1 ILE A 50 1.653 5.925 -7.690 1.00 0.56 C ATOM 0 H ILE A 50 1.214 8.615 -3.961 1.00 0.28 H new ATOM 0 HA ILE A 50 0.373 5.995 -3.152 1.00 0.30 H new ATOM 0 HB ILE A 50 2.018 5.153 -5.108 1.00 0.34 H new ATOM 0 HG12 ILE A 50 0.426 7.275 -6.553 1.00 0.39 H new ATOM 0 HG13 ILE A 50 2.136 7.383 -6.186 1.00 0.39 H new ATOM 0 HG21 ILE A 50 -0.023 4.324 -6.288 1.00 0.34 H new ATOM 0 HG22 ILE A 50 -0.125 4.125 -4.523 1.00 0.34 H new ATOM 0 HG23 ILE A 50 -1.009 5.447 -5.321 1.00 0.34 H new ATOM 0 HD11 ILE A 50 1.783 6.636 -8.506 1.00 0.56 H new ATOM 0 HD12 ILE A 50 2.572 5.355 -7.556 1.00 0.56 H new ATOM 0 HD13 ILE A 50 0.835 5.245 -7.928 1.00 0.56 H new ATOM 393 N LYS A 51 2.599 6.271 -1.912 1.00 0.26 N ATOM 394 CA LYS A 51 3.851 6.364 -1.138 1.00 0.26 C ATOM 395 C LYS A 51 3.924 5.349 0.016 1.00 0.25 C ATOM 396 O LYS A 51 2.899 4.845 0.477 1.00 0.25 O ATOM 397 CB LYS A 51 4.044 7.811 -0.673 1.00 0.40 C ATOM 398 CG LYS A 51 2.920 8.321 0.236 1.00 0.47 C ATOM 399 CD LYS A 51 2.855 9.847 0.258 1.00 0.57 C ATOM 400 CE LYS A 51 2.247 10.369 -1.052 1.00 0.69 C ATOM 401 NZ LYS A 51 1.771 11.762 -0.916 1.00 1.14 N ATOM 0 H LYS A 51 1.819 5.917 -1.358 1.00 0.26 H new ATOM 0 HA LYS A 51 4.682 6.091 -1.788 1.00 0.26 H new ATOM 0 HB2 LYS A 51 4.993 7.889 -0.142 1.00 0.40 H new ATOM 0 HB3 LYS A 51 4.114 8.458 -1.547 1.00 0.40 H new ATOM 0 HG2 LYS A 51 1.966 7.922 -0.107 1.00 0.47 H new ATOM 0 HG3 LYS A 51 3.075 7.949 1.249 1.00 0.47 H new ATOM 0 HD2 LYS A 51 2.255 10.181 1.105 1.00 0.57 H new ATOM 0 HD3 LYS A 51 3.855 10.259 0.393 1.00 0.57 H new ATOM 0 HE2 LYS A 51 2.992 10.315 -1.846 1.00 0.69 H new ATOM 0 HE3 LYS A 51 1.417 9.728 -1.349 1.00 0.69 H new ATOM 0 HZ1 LYS A 51 1.367 12.081 -1.820 1.00 1.14 H new ATOM 0 HZ2 LYS A 51 1.042 11.809 -0.175 1.00 1.14 H new ATOM 0 HZ3 LYS A 51 2.568 12.378 -0.657 1.00 1.14 H new ATOM 415 N VAL A 52 5.146 5.036 0.453 1.00 0.34 N ATOM 416 CA VAL A 52 5.496 3.946 1.386 1.00 0.30 C ATOM 417 C VAL A 52 6.533 4.423 2.404 1.00 0.33 C ATOM 418 O VAL A 52 7.433 5.184 2.052 1.00 0.38 O ATOM 419 CB VAL A 52 6.058 2.726 0.607 1.00 0.36 C ATOM 420 CG1 VAL A 52 6.273 1.504 1.512 1.00 0.41 C ATOM 421 CG2 VAL A 52 5.167 2.276 -0.566 1.00 0.35 C ATOM 0 H VAL A 52 5.967 5.561 0.153 1.00 0.34 H new ATOM 0 HA VAL A 52 4.590 3.648 1.914 1.00 0.30 H new ATOM 0 HB VAL A 52 7.010 3.085 0.215 1.00 0.36 H new ATOM 0 HG11 VAL A 52 6.667 0.678 0.920 1.00 0.41 H new ATOM 0 HG12 VAL A 52 6.982 1.756 2.301 1.00 0.41 H new ATOM 0 HG13 VAL A 52 5.323 1.210 1.958 1.00 0.41 H new ATOM 0 HG21 VAL A 52 5.624 1.420 -1.062 1.00 0.35 H new ATOM 0 HG22 VAL A 52 4.184 1.995 -0.189 1.00 0.35 H new ATOM 0 HG23 VAL A 52 5.062 3.095 -1.278 1.00 0.35 H new ATOM 431 N THR A 53 6.463 3.951 3.655 1.00 0.34 N ATOM 432 CA THR A 53 7.563 4.090 4.620 1.00 0.30 C ATOM 433 C THR A 53 7.772 2.764 5.324 1.00 0.26 C ATOM 434 O THR A 53 6.832 2.216 5.889 1.00 0.26 O ATOM 435 CB THR A 53 7.235 5.197 5.635 1.00 0.33 C ATOM 436 OG1 THR A 53 7.002 6.434 4.991 1.00 0.41 O ATOM 437 CG2 THR A 53 8.304 5.423 6.682 1.00 0.35 C ATOM 0 H THR A 53 5.647 3.464 4.026 1.00 0.34 H new ATOM 0 HA THR A 53 8.479 4.367 4.099 1.00 0.30 H new ATOM 0 HB THR A 53 6.338 4.836 6.138 1.00 0.33 H new ATOM 0 HG1 THR A 53 6.794 7.118 5.662 1.00 0.41 H new ATOM 0 HG21 THR A 53 7.990 6.220 7.356 1.00 0.35 H new ATOM 0 HG22 THR A 53 8.456 4.506 7.251 1.00 0.35 H new ATOM 0 HG23 THR A 53 9.237 5.706 6.194 1.00 0.35 H new ATOM 445 N ASP A 54 8.997 2.247 5.312 1.00 0.27 N ATOM 446 CA ASP A 54 9.372 1.124 6.165 1.00 0.27 C ATOM 447 C ASP A 54 9.439 1.582 7.623 1.00 0.24 C ATOM 448 O ASP A 54 10.063 2.599 7.953 1.00 0.30 O ATOM 449 CB ASP A 54 10.740 0.559 5.749 1.00 0.31 C ATOM 450 CG ASP A 54 11.232 -0.478 6.761 1.00 0.62 C ATOM 451 OD1 ASP A 54 11.857 -0.074 7.766 1.00 1.31 O ATOM 452 OD2 ASP A 54 10.934 -1.679 6.577 1.00 2.15 O ATOM 0 H ASP A 54 9.751 2.590 4.717 1.00 0.27 H new ATOM 0 HA ASP A 54 8.619 0.343 6.056 1.00 0.27 H new ATOM 0 HB2 ASP A 54 10.665 0.103 4.762 1.00 0.31 H new ATOM 0 HB3 ASP A 54 11.465 1.370 5.671 1.00 0.31 H new ATOM 457 N ILE A 55 8.835 0.765 8.478 1.00 0.27 N ATOM 458 CA ILE A 55 8.848 0.872 9.936 1.00 0.42 C ATOM 459 C ILE A 55 9.291 -0.483 10.542 1.00 0.64 C ATOM 460 O ILE A 55 8.820 -0.909 11.596 1.00 0.86 O ATOM 461 CB ILE A 55 7.516 1.512 10.429 1.00 0.42 C ATOM 462 CG1 ILE A 55 6.239 0.770 9.954 1.00 0.28 C ATOM 463 CG2 ILE A 55 7.466 2.981 9.947 1.00 0.47 C ATOM 464 CD1 ILE A 55 4.918 1.559 10.048 1.00 0.28 C ATOM 0 H ILE A 55 8.292 -0.036 8.156 1.00 0.27 H new ATOM 0 HA ILE A 55 9.598 1.569 10.312 1.00 0.42 H new ATOM 0 HB ILE A 55 7.516 1.441 11.517 1.00 0.42 H new ATOM 0 HG12 ILE A 55 6.384 0.468 8.917 1.00 0.28 H new ATOM 0 HG13 ILE A 55 6.135 -0.143 10.540 1.00 0.28 H new ATOM 0 HG21 ILE A 55 6.538 3.443 10.285 1.00 0.47 H new ATOM 0 HG22 ILE A 55 8.315 3.528 10.358 1.00 0.47 H new ATOM 0 HG23 ILE A 55 7.510 3.008 8.858 1.00 0.47 H new ATOM 0 HD11 ILE A 55 4.097 0.938 9.689 1.00 0.28 H new ATOM 0 HD12 ILE A 55 4.734 1.839 11.085 1.00 0.28 H new ATOM 0 HD13 ILE A 55 4.987 2.459 9.437 1.00 0.28 H new ATOM 476 N SER A 56 10.210 -1.171 9.838 1.00 0.65 N ATOM 477 CA SER A 56 10.732 -2.525 10.096 1.00 0.90 C ATOM 478 C SER A 56 12.212 -2.770 9.767 1.00 1.02 C ATOM 479 O SER A 56 12.575 -3.843 9.293 1.00 1.00 O ATOM 480 CB SER A 56 9.808 -3.579 9.498 1.00 0.92 C ATOM 481 OG SER A 56 9.504 -3.411 8.126 1.00 2.77 O ATOM 0 H SER A 56 10.640 -0.761 9.009 1.00 0.65 H new ATOM 0 HA SER A 56 10.728 -2.619 11.182 1.00 0.90 H new ATOM 0 HB2 SER A 56 10.266 -4.559 9.634 1.00 0.92 H new ATOM 0 HB3 SER A 56 8.875 -3.582 10.062 1.00 0.92 H new ATOM 0 HG SER A 56 10.136 -2.777 7.726 1.00 2.77 H new ATOM 487 N GLY A 57 13.103 -1.840 10.102 1.00 1.27 N ATOM 488 CA GLY A 57 14.539 -1.896 9.792 1.00 1.47 C ATOM 489 C GLY A 57 15.323 -3.175 10.167 1.00 1.55 C ATOM 490 O GLY A 57 16.360 -3.437 9.552 1.00 2.03 O ATOM 0 H GLY A 57 12.842 -0.997 10.614 1.00 1.27 H new ATOM 0 HA2 GLY A 57 14.653 -1.739 8.719 1.00 1.47 H new ATOM 0 HA3 GLY A 57 15.019 -1.054 10.290 1.00 1.47 H new ATOM 494 N GLY A 58 14.850 -3.984 11.126 1.00 1.21 N ATOM 495 CA GLY A 58 15.444 -5.262 11.566 1.00 1.28 C ATOM 496 C GLY A 58 14.642 -6.525 11.196 1.00 1.03 C ATOM 497 O GLY A 58 15.058 -7.642 11.523 1.00 1.16 O ATOM 0 H GLY A 58 14.001 -3.757 11.644 1.00 1.21 H new ATOM 0 HA2 GLY A 58 16.442 -5.347 11.136 1.00 1.28 H new ATOM 0 HA3 GLY A 58 15.565 -5.233 12.649 1.00 1.28 H new ATOM 501 N CYS A 59 13.497 -6.377 10.522 1.00 0.85 N ATOM 502 CA CYS A 59 12.585 -7.480 10.172 1.00 0.86 C ATOM 503 C CYS A 59 12.119 -7.456 8.713 1.00 0.96 C ATOM 504 O CYS A 59 11.995 -8.494 8.057 1.00 1.17 O ATOM 505 CB CYS A 59 11.351 -7.390 11.076 1.00 0.98 C ATOM 506 SG CYS A 59 10.511 -8.994 11.045 1.00 1.88 S ATOM 0 H CYS A 59 13.168 -5.468 10.196 1.00 0.85 H new ATOM 0 HA CYS A 59 13.138 -8.408 10.313 1.00 0.86 H new ATOM 0 HB2 CYS A 59 11.643 -7.133 12.094 1.00 0.98 H new ATOM 0 HB3 CYS A 59 10.681 -6.603 10.729 1.00 0.98 H new ATOM 0 HG CYS A 59 9.459 -8.948 11.807 1.00 1.88 H new ATOM 512 N GLY A 60 11.828 -6.251 8.241 1.00 0.96 N ATOM 513 CA GLY A 60 11.133 -5.909 7.017 1.00 1.07 C ATOM 514 C GLY A 60 9.724 -6.514 6.922 1.00 0.97 C ATOM 515 O GLY A 60 9.399 -7.145 5.910 1.00 1.18 O ATOM 0 H GLY A 60 12.100 -5.414 8.757 1.00 0.96 H new ATOM 0 HA2 GLY A 60 11.060 -4.824 6.941 1.00 1.07 H new ATOM 0 HA3 GLY A 60 11.724 -6.249 6.166 1.00 1.07 H new ATOM 519 N ALA A 61 8.914 -6.388 7.985 1.00 0.79 N ATOM 520 CA ALA A 61 7.551 -6.919 8.065 1.00 0.79 C ATOM 521 C ALA A 61 6.479 -5.855 8.405 1.00 0.61 C ATOM 522 O ALA A 61 5.399 -6.215 8.870 1.00 1.02 O ATOM 523 CB ALA A 61 7.565 -8.086 9.062 1.00 1.04 C ATOM 0 H ALA A 61 9.200 -5.900 8.834 1.00 0.79 H new ATOM 0 HA ALA A 61 7.251 -7.270 7.077 1.00 0.79 H new ATOM 0 HB1 ALA A 61 6.562 -8.505 9.145 1.00 1.04 H new ATOM 0 HB2 ALA A 61 8.252 -8.856 8.711 1.00 1.04 H new ATOM 0 HB3 ALA A 61 7.890 -7.727 10.038 1.00 1.04 H new ATOM 529 N MET A 62 6.759 -4.554 8.242 1.00 0.82 N ATOM 530 CA MET A 62 5.912 -3.451 8.710 1.00 0.46 C ATOM 531 C MET A 62 6.095 -2.181 7.862 1.00 0.35 C ATOM 532 O MET A 62 7.200 -1.643 7.770 1.00 0.38 O ATOM 533 CB MET A 62 6.326 -3.157 10.170 1.00 0.71 C ATOM 534 CG MET A 62 5.167 -2.875 11.107 1.00 0.81 C ATOM 535 SD MET A 62 5.589 -2.174 12.726 1.00 1.78 S ATOM 536 CE MET A 62 6.726 -3.455 13.310 1.00 0.92 C ATOM 0 H MET A 62 7.603 -4.233 7.768 1.00 0.82 H new ATOM 0 HA MET A 62 4.864 -3.738 8.629 1.00 0.46 H new ATOM 0 HB2 MET A 62 6.888 -4.008 10.554 1.00 0.71 H new ATOM 0 HB3 MET A 62 7.000 -2.300 10.178 1.00 0.71 H new ATOM 0 HG2 MET A 62 4.482 -2.190 10.607 1.00 0.81 H new ATOM 0 HG3 MET A 62 4.625 -3.806 11.269 1.00 0.81 H new ATOM 0 HE1 MET A 62 6.981 -3.267 14.353 1.00 0.92 H new ATOM 0 HE2 MET A 62 6.250 -4.432 13.223 1.00 0.92 H new ATOM 0 HE3 MET A 62 7.633 -3.439 12.706 1.00 0.92 H new ATOM 546 N TYR A 63 5.011 -1.662 7.274 1.00 0.32 N ATOM 547 CA TYR A 63 5.071 -0.455 6.444 1.00 0.31 C ATOM 548 C TYR A 63 3.862 0.464 6.620 1.00 0.29 C ATOM 549 O TYR A 63 2.728 0.022 6.799 1.00 0.34 O ATOM 550 CB TYR A 63 5.205 -0.808 4.960 1.00 0.38 C ATOM 551 CG TYR A 63 6.434 -1.609 4.561 1.00 0.42 C ATOM 552 CD1 TYR A 63 6.396 -3.009 4.694 1.00 1.76 C ATOM 553 CD2 TYR A 63 7.614 -0.992 4.101 1.00 1.87 C ATOM 554 CE1 TYR A 63 7.513 -3.803 4.401 1.00 1.77 C ATOM 555 CE2 TYR A 63 8.762 -1.773 3.888 1.00 1.87 C ATOM 556 CZ TYR A 63 8.718 -3.176 4.039 1.00 0.45 C ATOM 557 OH TYR A 63 9.842 -3.913 3.858 1.00 0.49 O ATOM 0 H TYR A 63 4.077 -2.062 7.359 1.00 0.32 H new ATOM 0 HA TYR A 63 5.955 0.083 6.786 1.00 0.31 H new ATOM 0 HB2 TYR A 63 4.320 -1.370 4.662 1.00 0.38 H new ATOM 0 HB3 TYR A 63 5.202 0.119 4.387 1.00 0.38 H new ATOM 0 HD1 TYR A 63 5.485 -3.483 5.030 1.00 1.76 H new ATOM 0 HD2 TYR A 63 7.636 0.071 3.914 1.00 1.87 H new ATOM 0 HE1 TYR A 63 7.449 -4.880 4.453 1.00 1.77 H new ATOM 0 HE2 TYR A 63 9.688 -1.295 3.606 1.00 1.87 H new ATOM 0 HH TYR A 63 10.629 -3.359 4.041 1.00 0.49 H new ATOM 567 N GLU A 64 4.122 1.758 6.468 1.00 0.26 N ATOM 568 CA GLU A 64 3.146 2.833 6.356 1.00 0.35 C ATOM 569 C GLU A 64 2.840 3.105 4.871 1.00 0.54 C ATOM 570 O GLU A 64 3.730 3.552 4.149 1.00 0.92 O ATOM 571 CB GLU A 64 3.765 4.082 6.998 1.00 0.48 C ATOM 572 CG GLU A 64 2.712 5.079 7.432 1.00 0.42 C ATOM 573 CD GLU A 64 3.292 6.492 7.565 1.00 0.74 C ATOM 574 OE1 GLU A 64 3.481 7.153 6.513 1.00 2.38 O ATOM 575 OE2 GLU A 64 3.574 6.959 8.696 1.00 1.35 O ATOM 0 H GLU A 64 5.080 2.104 6.417 1.00 0.26 H new ATOM 0 HA GLU A 64 2.215 2.565 6.855 1.00 0.35 H new ATOM 0 HB2 GLU A 64 4.363 3.788 7.861 1.00 0.48 H new ATOM 0 HB3 GLU A 64 4.442 4.556 6.288 1.00 0.48 H new ATOM 0 HG2 GLU A 64 1.897 5.086 6.708 1.00 0.42 H new ATOM 0 HG3 GLU A 64 2.288 4.768 8.387 1.00 0.42 H new ATOM 582 N ILE A 65 1.624 2.861 4.383 1.00 0.35 N ATOM 583 CA ILE A 65 1.300 2.901 2.940 1.00 0.31 C ATOM 584 C ILE A 65 0.132 3.849 2.677 1.00 0.31 C ATOM 585 O ILE A 65 -0.949 3.652 3.227 1.00 0.36 O ATOM 586 CB ILE A 65 0.991 1.484 2.408 1.00 0.38 C ATOM 587 CG1 ILE A 65 2.205 0.549 2.606 1.00 0.54 C ATOM 588 CG2 ILE A 65 0.580 1.531 0.921 1.00 0.48 C ATOM 589 CD1 ILE A 65 1.946 -0.916 2.240 1.00 0.71 C ATOM 0 H ILE A 65 0.825 2.628 4.973 1.00 0.35 H new ATOM 0 HA ILE A 65 2.171 3.279 2.404 1.00 0.31 H new ATOM 0 HB ILE A 65 0.153 1.085 2.980 1.00 0.38 H new ATOM 0 HG12 ILE A 65 3.035 0.919 2.004 1.00 0.54 H new ATOM 0 HG13 ILE A 65 2.520 0.600 3.648 1.00 0.54 H new ATOM 0 HG21 ILE A 65 0.368 0.521 0.570 1.00 0.48 H new ATOM 0 HG22 ILE A 65 -0.311 2.149 0.809 1.00 0.48 H new ATOM 0 HG23 ILE A 65 1.393 1.956 0.332 1.00 0.48 H new ATOM 0 HD11 ILE A 65 2.851 -1.499 2.410 1.00 0.71 H new ATOM 0 HD12 ILE A 65 1.140 -1.309 2.860 1.00 0.71 H new ATOM 0 HD13 ILE A 65 1.662 -0.984 1.190 1.00 0.71 H new ATOM 601 N LYS A 66 0.326 4.843 1.806 1.00 0.29 N ATOM 602 CA LYS A 66 -0.624 5.940 1.555 1.00 0.21 C ATOM 603 C LYS A 66 -0.970 6.035 0.074 1.00 0.17 C ATOM 604 O LYS A 66 -0.080 6.227 -0.753 1.00 0.23 O ATOM 605 CB LYS A 66 -0.038 7.252 2.101 1.00 0.36 C ATOM 606 CG LYS A 66 -0.136 7.378 3.630 1.00 0.84 C ATOM 607 CD LYS A 66 0.852 8.420 4.164 1.00 1.35 C ATOM 608 CE LYS A 66 0.613 8.659 5.659 1.00 1.88 C ATOM 609 NZ LYS A 66 1.768 9.349 6.273 1.00 2.64 N ATOM 0 H LYS A 66 1.170 4.912 1.238 1.00 0.29 H new ATOM 0 HA LYS A 66 -1.560 5.740 2.077 1.00 0.21 H new ATOM 0 HB2 LYS A 66 1.008 7.324 1.805 1.00 0.36 H new ATOM 0 HB3 LYS A 66 -0.558 8.092 1.641 1.00 0.36 H new ATOM 0 HG2 LYS A 66 -1.151 7.659 3.910 1.00 0.84 H new ATOM 0 HG3 LYS A 66 0.066 6.411 4.091 1.00 0.84 H new ATOM 0 HD2 LYS A 66 1.874 8.079 4.002 1.00 1.35 H new ATOM 0 HD3 LYS A 66 0.737 9.355 3.616 1.00 1.35 H new ATOM 0 HE2 LYS A 66 -0.288 9.257 5.797 1.00 1.88 H new ATOM 0 HE3 LYS A 66 0.444 7.707 6.161 1.00 1.88 H new ATOM 0 HZ1 LYS A 66 1.493 9.725 7.203 1.00 2.64 H new ATOM 0 HZ2 LYS A 66 2.552 8.676 6.389 1.00 2.64 H new ATOM 0 HZ3 LYS A 66 2.071 10.132 5.659 1.00 2.64 H new ATOM 623 N ILE A 67 -2.255 5.872 -0.243 1.00 0.16 N ATOM 624 CA ILE A 67 -2.837 5.843 -1.584 1.00 0.18 C ATOM 625 C ILE A 67 -4.042 6.803 -1.655 1.00 0.20 C ATOM 626 O ILE A 67 -4.718 7.030 -0.654 1.00 0.26 O ATOM 627 CB ILE A 67 -3.223 4.407 -2.013 1.00 0.20 C ATOM 628 CG1 ILE A 67 -2.127 3.394 -1.606 1.00 0.18 C ATOM 629 CG2 ILE A 67 -3.525 4.374 -3.521 1.00 0.25 C ATOM 630 CD1 ILE A 67 -2.000 2.126 -2.446 1.00 0.25 C ATOM 0 H ILE A 67 -2.964 5.748 0.480 1.00 0.16 H new ATOM 0 HA ILE A 67 -2.082 6.184 -2.293 1.00 0.18 H new ATOM 0 HB ILE A 67 -4.130 4.107 -1.489 1.00 0.20 H new ATOM 0 HG12 ILE A 67 -1.167 3.910 -1.626 1.00 0.18 H new ATOM 0 HG13 ILE A 67 -2.308 3.098 -0.573 1.00 0.18 H new ATOM 0 HG21 ILE A 67 -3.796 3.360 -3.816 1.00 0.25 H new ATOM 0 HG22 ILE A 67 -4.352 5.049 -3.741 1.00 0.25 H new ATOM 0 HG23 ILE A 67 -2.641 4.689 -4.076 1.00 0.25 H new ATOM 0 HD11 ILE A 67 -1.195 1.507 -2.051 1.00 0.25 H new ATOM 0 HD12 ILE A 67 -2.937 1.570 -2.409 1.00 0.25 H new ATOM 0 HD13 ILE A 67 -1.778 2.394 -3.479 1.00 0.25 H new ATOM 642 N GLU A 68 -4.370 7.333 -2.829 1.00 0.21 N ATOM 643 CA GLU A 68 -5.633 8.037 -3.119 1.00 0.21 C ATOM 644 C GLU A 68 -5.926 7.924 -4.617 1.00 0.24 C ATOM 645 O GLU A 68 -5.031 8.208 -5.402 1.00 0.31 O ATOM 646 CB GLU A 68 -5.471 9.497 -2.690 1.00 0.24 C ATOM 647 CG GLU A 68 -6.599 10.511 -3.017 1.00 0.31 C ATOM 648 CD GLU A 68 -6.439 11.842 -2.246 1.00 0.44 C ATOM 649 OE1 GLU A 68 -6.593 11.840 -0.999 1.00 1.85 O ATOM 650 OE2 GLU A 68 -6.182 12.908 -2.862 1.00 1.66 O ATOM 0 H GLU A 68 -3.749 7.288 -3.637 1.00 0.21 H new ATOM 0 HA GLU A 68 -6.470 7.600 -2.574 1.00 0.21 H new ATOM 0 HB2 GLU A 68 -5.323 9.507 -1.610 1.00 0.24 H new ATOM 0 HB3 GLU A 68 -4.552 9.872 -3.141 1.00 0.24 H new ATOM 0 HG2 GLU A 68 -6.602 10.713 -4.088 1.00 0.31 H new ATOM 0 HG3 GLU A 68 -7.564 10.067 -2.773 1.00 0.31 H new ATOM 657 N SER A 69 -7.113 7.481 -5.042 1.00 0.22 N ATOM 658 CA SER A 69 -7.399 7.188 -6.463 1.00 0.25 C ATOM 659 C SER A 69 -8.882 7.189 -6.772 1.00 0.24 C ATOM 660 O SER A 69 -9.660 6.677 -5.968 1.00 0.21 O ATOM 661 CB SER A 69 -6.900 5.783 -6.811 1.00 0.25 C ATOM 662 OG SER A 69 -7.005 5.517 -8.198 1.00 0.30 O ATOM 0 H SER A 69 -7.904 7.314 -4.420 1.00 0.22 H new ATOM 0 HA SER A 69 -6.900 7.968 -7.038 1.00 0.25 H new ATOM 0 HB2 SER A 69 -5.861 5.678 -6.498 1.00 0.25 H new ATOM 0 HB3 SER A 69 -7.476 5.044 -6.254 1.00 0.25 H new ATOM 0 HG SER A 69 -7.051 4.549 -8.343 1.00 0.30 H new ATOM 668 N GLU A 70 -9.269 7.697 -7.948 1.00 0.32 N ATOM 669 CA GLU A 70 -10.662 7.743 -8.419 1.00 0.36 C ATOM 670 C GLU A 70 -11.368 6.374 -8.312 1.00 0.37 C ATOM 671 O GLU A 70 -12.575 6.298 -8.082 1.00 0.62 O ATOM 672 CB GLU A 70 -10.722 8.189 -9.888 1.00 0.58 C ATOM 673 CG GLU A 70 -10.899 9.694 -10.110 1.00 1.41 C ATOM 674 CD GLU A 70 -11.513 10.022 -11.483 1.00 1.98 C ATOM 675 OE1 GLU A 70 -12.758 9.984 -11.646 1.00 2.65 O ATOM 676 OE2 GLU A 70 -10.752 10.354 -12.427 1.00 2.73 O ATOM 0 H GLU A 70 -8.609 8.097 -8.615 1.00 0.32 H new ATOM 0 HA GLU A 70 -11.175 8.457 -7.774 1.00 0.36 H new ATOM 0 HB2 GLU A 70 -9.805 7.871 -10.385 1.00 0.58 H new ATOM 0 HB3 GLU A 70 -11.546 7.668 -10.375 1.00 0.58 H new ATOM 0 HG2 GLU A 70 -11.536 10.101 -9.325 1.00 1.41 H new ATOM 0 HG3 GLU A 70 -9.931 10.187 -10.022 1.00 1.41 H new ATOM 683 N GLU A 71 -10.620 5.277 -8.460 1.00 0.29 N ATOM 684 CA GLU A 71 -11.147 3.907 -8.472 1.00 0.36 C ATOM 685 C GLU A 71 -11.733 3.433 -7.130 1.00 0.40 C ATOM 686 O GLU A 71 -12.362 2.371 -7.075 1.00 0.64 O ATOM 687 CB GLU A 71 -10.054 2.956 -8.968 1.00 0.42 C ATOM 688 CG GLU A 71 -9.069 2.574 -7.858 1.00 0.30 C ATOM 689 CD GLU A 71 -7.753 2.093 -8.476 1.00 0.38 C ATOM 690 OE1 GLU A 71 -6.836 2.925 -8.666 1.00 1.66 O ATOM 691 OE2 GLU A 71 -7.664 0.890 -8.841 1.00 1.65 O ATOM 0 H GLU A 71 -9.608 5.316 -8.578 1.00 0.29 H new ATOM 0 HA GLU A 71 -11.997 3.902 -9.155 1.00 0.36 H new ATOM 0 HB2 GLU A 71 -10.515 2.053 -9.368 1.00 0.42 H new ATOM 0 HB3 GLU A 71 -9.510 3.426 -9.787 1.00 0.42 H new ATOM 0 HG2 GLU A 71 -8.886 3.432 -7.211 1.00 0.30 H new ATOM 0 HG3 GLU A 71 -9.497 1.789 -7.234 1.00 0.30 H new ATOM 698 N PHE A 72 -11.518 4.192 -6.049 1.00 0.28 N ATOM 699 CA PHE A 72 -11.930 3.846 -4.685 1.00 0.29 C ATOM 700 C PHE A 72 -13.286 4.441 -4.205 1.00 0.31 C ATOM 701 O PHE A 72 -13.594 4.335 -3.016 1.00 0.35 O ATOM 702 CB PHE A 72 -10.759 4.232 -3.762 1.00 0.27 C ATOM 703 CG PHE A 72 -9.536 3.336 -3.701 1.00 0.27 C ATOM 704 CD1 PHE A 72 -9.644 1.933 -3.601 1.00 2.08 C ATOM 705 CD2 PHE A 72 -8.271 3.941 -3.580 1.00 1.81 C ATOM 706 CE1 PHE A 72 -8.499 1.149 -3.367 1.00 2.09 C ATOM 707 CE2 PHE A 72 -7.129 3.159 -3.352 1.00 1.80 C ATOM 708 CZ PHE A 72 -7.243 1.767 -3.237 1.00 0.26 C ATOM 0 H PHE A 72 -11.038 5.091 -6.102 1.00 0.28 H new ATOM 0 HA PHE A 72 -12.139 2.777 -4.657 1.00 0.29 H new ATOM 0 HB2 PHE A 72 -10.423 5.226 -4.057 1.00 0.27 H new ATOM 0 HB3 PHE A 72 -11.154 4.317 -2.750 1.00 0.27 H new ATOM 0 HD1 PHE A 72 -10.609 1.459 -3.704 1.00 2.08 H new ATOM 0 HD2 PHE A 72 -8.179 5.014 -3.663 1.00 1.81 H new ATOM 0 HE1 PHE A 72 -8.585 0.075 -3.287 1.00 2.09 H new ATOM 0 HE2 PHE A 72 -6.161 3.630 -3.265 1.00 1.80 H new ATOM 0 HZ PHE A 72 -6.364 1.168 -3.048 1.00 0.26 H new ATOM 718 N LYS A 73 -14.117 5.052 -5.073 1.00 0.36 N ATOM 719 CA LYS A 73 -15.348 5.794 -4.667 1.00 0.43 C ATOM 720 C LYS A 73 -16.498 4.923 -4.185 1.00 0.54 C ATOM 721 O LYS A 73 -17.190 5.281 -3.232 1.00 0.78 O ATOM 722 CB LYS A 73 -15.817 6.828 -5.717 1.00 0.55 C ATOM 723 CG LYS A 73 -15.966 6.336 -7.162 1.00 0.68 C ATOM 724 CD LYS A 73 -17.376 5.904 -7.597 1.00 1.39 C ATOM 725 CE LYS A 73 -17.259 5.294 -9.003 1.00 1.52 C ATOM 726 NZ LYS A 73 -18.521 4.693 -9.499 1.00 2.88 N ATOM 0 H LYS A 73 -13.961 5.050 -6.081 1.00 0.36 H new ATOM 0 HA LYS A 73 -15.022 6.350 -3.788 1.00 0.43 H new ATOM 0 HB2 LYS A 73 -16.779 7.226 -5.394 1.00 0.55 H new ATOM 0 HB3 LYS A 73 -15.111 7.658 -5.713 1.00 0.55 H new ATOM 0 HG2 LYS A 73 -15.631 7.130 -7.829 1.00 0.68 H new ATOM 0 HG3 LYS A 73 -15.291 5.493 -7.307 1.00 0.68 H new ATOM 0 HD2 LYS A 73 -17.787 5.177 -6.897 1.00 1.39 H new ATOM 0 HD3 LYS A 73 -18.053 6.758 -7.605 1.00 1.39 H new ATOM 0 HE2 LYS A 73 -16.937 6.068 -9.700 1.00 1.52 H new ATOM 0 HE3 LYS A 73 -16.482 4.530 -8.994 1.00 1.52 H new ATOM 0 HZ1 LYS A 73 -18.444 4.517 -10.521 1.00 2.88 H new ATOM 0 HZ2 LYS A 73 -18.695 3.794 -9.006 1.00 2.88 H new ATOM 0 HZ3 LYS A 73 -19.311 5.345 -9.319 1.00 2.88 H new ATOM 740 N GLU A 74 -16.681 3.766 -4.800 1.00 0.54 N ATOM 741 CA GLU A 74 -17.792 2.838 -4.560 1.00 0.71 C ATOM 742 C GLU A 74 -17.504 1.870 -3.391 1.00 0.86 C ATOM 743 O GLU A 74 -18.167 0.839 -3.245 1.00 1.36 O ATOM 744 CB GLU A 74 -18.061 2.118 -5.895 1.00 0.83 C ATOM 745 CG GLU A 74 -19.519 1.717 -6.129 1.00 2.35 C ATOM 746 CD GLU A 74 -19.753 1.387 -7.607 1.00 2.68 C ATOM 747 OE1 GLU A 74 -19.503 2.251 -8.485 1.00 3.36 O ATOM 748 OE2 GLU A 74 -20.215 0.263 -7.917 1.00 3.20 O ATOM 0 H GLU A 74 -16.035 3.426 -5.513 1.00 0.54 H new ATOM 0 HA GLU A 74 -18.686 3.375 -4.242 1.00 0.71 H new ATOM 0 HB2 GLU A 74 -17.742 2.766 -6.711 1.00 0.83 H new ATOM 0 HB3 GLU A 74 -17.442 1.222 -5.939 1.00 0.83 H new ATOM 0 HG2 GLU A 74 -19.768 0.853 -5.513 1.00 2.35 H new ATOM 0 HG3 GLU A 74 -20.179 2.528 -5.822 1.00 2.35 H new ATOM 755 N LYS A 75 -16.460 2.163 -2.597 1.00 0.64 N ATOM 756 CA LYS A 75 -15.761 1.216 -1.722 1.00 0.54 C ATOM 757 C LYS A 75 -15.650 1.706 -0.286 1.00 0.64 C ATOM 758 O LYS A 75 -15.148 2.799 -0.015 1.00 0.81 O ATOM 759 CB LYS A 75 -14.359 0.921 -2.289 1.00 0.38 C ATOM 760 CG LYS A 75 -14.357 0.366 -3.717 1.00 0.63 C ATOM 761 CD LYS A 75 -14.977 -1.035 -3.822 1.00 0.93 C ATOM 762 CE LYS A 75 -15.464 -1.251 -5.259 1.00 1.36 C ATOM 763 NZ LYS A 75 -16.291 -2.475 -5.388 1.00 2.23 N ATOM 0 H LYS A 75 -16.067 3.103 -2.548 1.00 0.64 H new ATOM 0 HA LYS A 75 -16.356 0.303 -1.698 1.00 0.54 H new ATOM 0 HB2 LYS A 75 -13.772 1.839 -2.268 1.00 0.38 H new ATOM 0 HB3 LYS A 75 -13.859 0.208 -1.634 1.00 0.38 H new ATOM 0 HG2 LYS A 75 -14.906 1.049 -4.366 1.00 0.63 H new ATOM 0 HG3 LYS A 75 -13.332 0.331 -4.085 1.00 0.63 H new ATOM 0 HD2 LYS A 75 -14.242 -1.794 -3.554 1.00 0.93 H new ATOM 0 HD3 LYS A 75 -15.807 -1.134 -3.123 1.00 0.93 H new ATOM 0 HE2 LYS A 75 -16.045 -0.386 -5.579 1.00 1.36 H new ATOM 0 HE3 LYS A 75 -14.605 -1.322 -5.926 1.00 1.36 H new ATOM 0 HZ1 LYS A 75 -16.599 -2.583 -6.375 1.00 2.23 H new ATOM 0 HZ2 LYS A 75 -15.730 -3.304 -5.108 1.00 2.23 H new ATOM 0 HZ3 LYS A 75 -17.125 -2.397 -4.771 1.00 2.23 H new ATOM 777 N ARG A 76 -16.014 0.816 0.640 1.00 0.66 N ATOM 778 CA ARG A 76 -15.739 0.922 2.058 1.00 0.69 C ATOM 779 C ARG A 76 -14.247 0.892 2.341 1.00 0.55 C ATOM 780 O ARG A 76 -13.483 0.337 1.556 1.00 0.37 O ATOM 781 CB ARG A 76 -16.354 -0.283 2.771 1.00 0.72 C ATOM 782 CG ARG A 76 -17.782 -0.695 2.402 1.00 0.94 C ATOM 783 CD ARG A 76 -18.824 0.387 2.731 1.00 2.16 C ATOM 784 NE ARG A 76 -20.079 0.108 2.018 1.00 2.59 N ATOM 785 CZ ARG A 76 -21.001 0.969 1.638 1.00 4.01 C ATOM 786 NH1 ARG A 76 -21.058 2.201 2.047 1.00 5.27 N ATOM 787 NH2 ARG A 76 -21.902 0.570 0.795 1.00 4.48 N ATOM 0 H ARG A 76 -16.530 -0.031 0.403 1.00 0.66 H new ATOM 0 HA ARG A 76 -16.157 1.866 2.408 1.00 0.69 H new ATOM 0 HB2 ARG A 76 -15.705 -1.141 2.594 1.00 0.72 H new ATOM 0 HB3 ARG A 76 -16.332 -0.082 3.842 1.00 0.72 H new ATOM 0 HG2 ARG A 76 -17.825 -0.921 1.337 1.00 0.94 H new ATOM 0 HG3 ARG A 76 -18.038 -1.612 2.933 1.00 0.94 H new ATOM 0 HD2 ARG A 76 -19.005 0.415 3.806 1.00 2.16 H new ATOM 0 HD3 ARG A 76 -18.444 1.368 2.446 1.00 2.16 H new ATOM 0 HE ARG A 76 -20.257 -0.870 1.790 1.00 2.59 H new ATOM 0 HH11 ARG A 76 -20.361 2.553 2.703 1.00 5.27 H new ATOM 0 HH12 ARG A 76 -21.800 2.816 1.712 1.00 5.27 H new ATOM 0 HH21 ARG A 76 -21.884 -0.388 0.445 1.00 4.48 H new ATOM 0 HH22 ARG A 76 -22.629 1.214 0.482 1.00 4.48 H new ATOM 801 N THR A 77 -13.865 1.317 3.534 1.00 0.66 N ATOM 802 CA THR A 77 -12.521 1.164 4.103 1.00 0.62 C ATOM 803 C THR A 77 -11.903 -0.219 3.887 1.00 0.47 C ATOM 804 O THR A 77 -10.864 -0.332 3.241 1.00 0.43 O ATOM 805 CB THR A 77 -12.625 1.534 5.582 1.00 0.71 C ATOM 806 OG1 THR A 77 -12.920 2.912 5.654 1.00 1.03 O ATOM 807 CG2 THR A 77 -11.353 1.326 6.396 1.00 0.73 C ATOM 0 H THR A 77 -14.505 1.800 4.165 1.00 0.66 H new ATOM 0 HA THR A 77 -11.831 1.827 3.581 1.00 0.62 H new ATOM 0 HB THR A 77 -13.387 0.877 6.002 1.00 0.71 H new ATOM 0 HG1 THR A 77 -12.995 3.182 6.593 1.00 1.03 H new ATOM 0 HG21 THR A 77 -11.532 1.618 7.431 1.00 0.73 H new ATOM 0 HG22 THR A 77 -11.065 0.275 6.360 1.00 0.73 H new ATOM 0 HG23 THR A 77 -10.551 1.936 5.980 1.00 0.73 H new ATOM 815 N VAL A 78 -12.583 -1.284 4.307 1.00 0.44 N ATOM 816 CA VAL A 78 -12.146 -2.679 4.080 1.00 0.38 C ATOM 817 C VAL A 78 -12.006 -3.045 2.595 1.00 0.31 C ATOM 818 O VAL A 78 -11.060 -3.746 2.221 1.00 0.37 O ATOM 819 CB VAL A 78 -13.113 -3.643 4.788 1.00 0.43 C ATOM 820 CG1 VAL A 78 -14.540 -3.514 4.254 1.00 0.48 C ATOM 821 CG2 VAL A 78 -12.680 -5.108 4.688 1.00 0.51 C ATOM 0 H VAL A 78 -13.462 -1.213 4.820 1.00 0.44 H new ATOM 0 HA VAL A 78 -11.146 -2.773 4.504 1.00 0.38 H new ATOM 0 HB VAL A 78 -13.087 -3.348 5.837 1.00 0.43 H new ATOM 0 HG11 VAL A 78 -15.190 -4.212 4.781 1.00 0.48 H new ATOM 0 HG12 VAL A 78 -14.897 -2.496 4.412 1.00 0.48 H new ATOM 0 HG13 VAL A 78 -14.552 -3.741 3.188 1.00 0.48 H new ATOM 0 HG21 VAL A 78 -13.403 -5.737 5.207 1.00 0.51 H new ATOM 0 HG22 VAL A 78 -12.630 -5.402 3.640 1.00 0.51 H new ATOM 0 HG23 VAL A 78 -11.698 -5.229 5.146 1.00 0.51 H new ATOM 831 N GLN A 79 -12.914 -2.552 1.742 1.00 0.30 N ATOM 832 CA GLN A 79 -12.923 -2.861 0.306 1.00 0.31 C ATOM 833 C GLN A 79 -11.817 -2.118 -0.456 1.00 0.31 C ATOM 834 O GLN A 79 -11.256 -2.662 -1.406 1.00 0.46 O ATOM 835 CB GLN A 79 -14.298 -2.585 -0.330 1.00 0.41 C ATOM 836 CG GLN A 79 -15.446 -3.405 0.264 1.00 0.67 C ATOM 837 CD GLN A 79 -16.287 -4.105 -0.800 1.00 0.82 C ATOM 838 OE1 GLN A 79 -16.042 -5.246 -1.178 1.00 1.05 O ATOM 839 NE2 GLN A 79 -17.276 -3.460 -1.365 1.00 0.93 N ATOM 0 H GLN A 79 -13.666 -1.925 2.030 1.00 0.30 H new ATOM 0 HA GLN A 79 -12.720 -3.929 0.223 1.00 0.31 H new ATOM 0 HB2 GLN A 79 -14.530 -1.526 -0.220 1.00 0.41 H new ATOM 0 HB3 GLN A 79 -14.238 -2.789 -1.399 1.00 0.41 H new ATOM 0 HG2 GLN A 79 -15.038 -4.151 0.947 1.00 0.67 H new ATOM 0 HG3 GLN A 79 -16.087 -2.750 0.854 1.00 0.67 H new ATOM 0 HE21 GLN A 79 -17.501 -2.510 -1.069 1.00 0.93 H new ATOM 0 HE22 GLN A 79 -17.822 -3.907 -2.101 1.00 0.93 H new ATOM 848 N GLN A 80 -11.470 -0.907 -0.008 1.00 0.26 N ATOM 849 CA GLN A 80 -10.290 -0.172 -0.453 1.00 0.29 C ATOM 850 C GLN A 80 -9.017 -0.907 -0.001 1.00 0.32 C ATOM 851 O GLN A 80 -8.198 -1.277 -0.842 1.00 0.37 O ATOM 852 CB GLN A 80 -10.323 1.267 0.098 1.00 0.30 C ATOM 853 CG GLN A 80 -11.485 2.137 -0.418 1.00 0.29 C ATOM 854 CD GLN A 80 -11.550 3.505 0.275 1.00 0.34 C ATOM 855 OE1 GLN A 80 -10.934 3.743 1.311 1.00 0.47 O ATOM 856 NE2 GLN A 80 -12.287 4.455 -0.258 1.00 0.64 N ATOM 0 H GLN A 80 -12.017 -0.402 0.690 1.00 0.26 H new ATOM 0 HA GLN A 80 -10.288 -0.118 -1.542 1.00 0.29 H new ATOM 0 HB2 GLN A 80 -10.378 1.222 1.186 1.00 0.30 H new ATOM 0 HB3 GLN A 80 -9.383 1.758 -0.153 1.00 0.30 H new ATOM 0 HG2 GLN A 80 -11.376 2.283 -1.493 1.00 0.29 H new ATOM 0 HG3 GLN A 80 -12.426 1.610 -0.262 1.00 0.29 H new ATOM 0 HE21 GLN A 80 -12.806 4.276 -1.118 1.00 0.64 H new ATOM 0 HE22 GLN A 80 -12.340 5.371 0.189 1.00 0.64 H new ATOM 865 N HIS A 81 -8.887 -1.196 1.304 1.00 0.31 N ATOM 866 CA HIS A 81 -7.725 -1.867 1.905 1.00 0.30 C ATOM 867 C HIS A 81 -7.370 -3.189 1.208 1.00 0.29 C ATOM 868 O HIS A 81 -6.198 -3.400 0.898 1.00 0.29 O ATOM 869 CB HIS A 81 -7.981 -2.119 3.403 1.00 0.33 C ATOM 870 CG HIS A 81 -7.909 -0.913 4.309 1.00 0.36 C ATOM 871 ND1 HIS A 81 -8.537 -0.787 5.532 1.00 0.42 N ATOM 872 CD2 HIS A 81 -7.141 0.210 4.141 1.00 0.41 C ATOM 873 CE1 HIS A 81 -8.150 0.374 6.081 1.00 0.51 C ATOM 874 NE2 HIS A 81 -7.295 1.019 5.272 1.00 0.50 N ATOM 0 H HIS A 81 -9.607 -0.963 1.988 1.00 0.31 H new ATOM 0 HA HIS A 81 -6.873 -1.200 1.776 1.00 0.30 H new ATOM 0 HB2 HIS A 81 -8.968 -2.568 3.510 1.00 0.33 H new ATOM 0 HB3 HIS A 81 -7.257 -2.854 3.754 1.00 0.33 H new ATOM 0 HD2 HIS A 81 -6.523 0.432 3.283 1.00 0.41 H new ATOM 0 HE1 HIS A 81 -8.481 0.740 7.042 1.00 0.51 H new ATOM 0 HE2 HIS A 81 -6.847 1.919 5.447 1.00 0.50 H new ATOM 882 N GLN A 82 -8.352 -4.045 0.899 1.00 0.33 N ATOM 883 CA GLN A 82 -8.160 -5.327 0.210 1.00 0.34 C ATOM 884 C GLN A 82 -7.385 -5.184 -1.112 1.00 0.31 C ATOM 885 O GLN A 82 -6.498 -5.991 -1.383 1.00 0.34 O ATOM 886 CB GLN A 82 -9.532 -5.992 0.001 1.00 0.43 C ATOM 887 CG GLN A 82 -9.508 -7.250 -0.892 1.00 0.52 C ATOM 888 CD GLN A 82 -8.598 -8.383 -0.410 1.00 0.81 C ATOM 889 OE1 GLN A 82 -8.218 -8.484 0.752 1.00 1.20 O ATOM 890 NE2 GLN A 82 -8.229 -9.293 -1.282 1.00 0.90 N ATOM 0 H GLN A 82 -9.329 -3.860 1.128 1.00 0.33 H new ATOM 0 HA GLN A 82 -7.539 -5.966 0.838 1.00 0.34 H new ATOM 0 HB2 GLN A 82 -9.942 -6.261 0.974 1.00 0.43 H new ATOM 0 HB3 GLN A 82 -10.211 -5.262 -0.440 1.00 0.43 H new ATOM 0 HG2 GLN A 82 -10.525 -7.634 -0.976 1.00 0.52 H new ATOM 0 HG3 GLN A 82 -9.195 -6.957 -1.894 1.00 0.52 H new ATOM 0 HE21 GLN A 82 -8.536 -9.224 -2.252 1.00 0.90 H new ATOM 0 HE22 GLN A 82 -7.635 -10.069 -0.989 1.00 0.90 H new ATOM 899 N MET A 83 -7.637 -4.138 -1.905 1.00 0.30 N ATOM 900 CA MET A 83 -6.922 -3.928 -3.174 1.00 0.30 C ATOM 901 C MET A 83 -5.431 -3.628 -2.933 1.00 0.26 C ATOM 902 O MET A 83 -4.558 -4.166 -3.614 1.00 0.32 O ATOM 903 CB MET A 83 -7.594 -2.809 -3.990 1.00 0.36 C ATOM 904 CG MET A 83 -9.101 -3.032 -4.179 1.00 0.42 C ATOM 905 SD MET A 83 -9.761 -2.658 -5.826 1.00 1.51 S ATOM 906 CE MET A 83 -9.673 -0.852 -5.823 1.00 0.44 C ATOM 0 H MET A 83 -8.331 -3.421 -1.693 1.00 0.30 H new ATOM 0 HA MET A 83 -6.976 -4.850 -3.753 1.00 0.30 H new ATOM 0 HB2 MET A 83 -7.433 -1.854 -3.490 1.00 0.36 H new ATOM 0 HB3 MET A 83 -7.116 -2.741 -4.967 1.00 0.36 H new ATOM 0 HG2 MET A 83 -9.326 -4.073 -3.947 1.00 0.42 H new ATOM 0 HG3 MET A 83 -9.633 -2.421 -3.449 1.00 0.42 H new ATOM 0 HE1 MET A 83 -10.045 -0.468 -6.773 1.00 0.44 H new ATOM 0 HE2 MET A 83 -10.282 -0.459 -5.009 1.00 0.44 H new ATOM 0 HE3 MET A 83 -8.638 -0.538 -5.686 1.00 0.44 H new ATOM 916 N VAL A 84 -5.135 -2.807 -1.919 1.00 0.20 N ATOM 917 CA VAL A 84 -3.768 -2.426 -1.500 1.00 0.20 C ATOM 918 C VAL A 84 -3.039 -3.583 -0.804 1.00 0.20 C ATOM 919 O VAL A 84 -1.819 -3.663 -0.846 1.00 0.28 O ATOM 920 CB VAL A 84 -3.805 -1.223 -0.526 1.00 0.20 C ATOM 921 CG1 VAL A 84 -2.478 -0.462 -0.489 1.00 0.17 C ATOM 922 CG2 VAL A 84 -4.910 -0.209 -0.809 1.00 0.29 C ATOM 0 H VAL A 84 -5.858 -2.372 -1.345 1.00 0.20 H new ATOM 0 HA VAL A 84 -3.230 -2.159 -2.410 1.00 0.20 H new ATOM 0 HB VAL A 84 -4.009 -1.692 0.437 1.00 0.20 H new ATOM 0 HG11 VAL A 84 -2.556 0.372 0.209 1.00 0.17 H new ATOM 0 HG12 VAL A 84 -1.683 -1.133 -0.165 1.00 0.17 H new ATOM 0 HG13 VAL A 84 -2.249 -0.082 -1.485 1.00 0.17 H new ATOM 0 HG21 VAL A 84 -4.859 0.598 -0.078 1.00 0.29 H new ATOM 0 HG22 VAL A 84 -4.780 0.200 -1.811 1.00 0.29 H new ATOM 0 HG23 VAL A 84 -5.881 -0.700 -0.741 1.00 0.29 H new ATOM 932 N ASN A 85 -3.790 -4.500 -0.190 1.00 0.22 N ATOM 933 CA ASN A 85 -3.304 -5.721 0.452 1.00 0.23 C ATOM 934 C ASN A 85 -2.813 -6.696 -0.627 1.00 0.24 C ATOM 935 O ASN A 85 -1.651 -7.091 -0.661 1.00 0.28 O ATOM 936 CB ASN A 85 -4.477 -6.329 1.256 1.00 0.36 C ATOM 937 CG ASN A 85 -4.537 -5.955 2.715 1.00 0.52 C ATOM 938 OD1 ASN A 85 -4.410 -6.784 3.607 1.00 0.83 O ATOM 939 ND2 ASN A 85 -4.817 -4.711 2.982 1.00 0.42 N ATOM 0 H ASN A 85 -4.803 -4.405 -0.124 1.00 0.22 H new ATOM 0 HA ASN A 85 -2.472 -5.512 1.124 1.00 0.23 H new ATOM 0 HB2 ASN A 85 -5.412 -6.026 0.784 1.00 0.36 H new ATOM 0 HB3 ASN A 85 -4.420 -7.415 1.181 1.00 0.36 H new ATOM 0 HD21 ASN A 85 -4.935 -4.411 3.950 1.00 0.42 H new ATOM 0 HD22 ASN A 85 -4.918 -4.037 2.223 1.00 0.42 H new ATOM 946 N GLN A 86 -3.692 -7.023 -1.572 1.00 0.27 N ATOM 947 CA GLN A 86 -3.414 -7.967 -2.660 1.00 0.33 C ATOM 948 C GLN A 86 -2.448 -7.424 -3.734 1.00 0.30 C ATOM 949 O GLN A 86 -2.030 -8.152 -4.636 1.00 0.61 O ATOM 950 CB GLN A 86 -4.739 -8.390 -3.303 1.00 0.56 C ATOM 951 CG GLN A 86 -5.071 -9.884 -3.128 1.00 1.06 C ATOM 952 CD GLN A 86 -3.976 -10.894 -3.493 1.00 1.50 C ATOM 953 OE1 GLN A 86 -3.740 -11.875 -2.800 1.00 2.79 O ATOM 954 NE2 GLN A 86 -3.258 -10.712 -4.574 1.00 1.98 N ATOM 0 H GLN A 86 -4.634 -6.634 -1.607 1.00 0.27 H new ATOM 0 HA GLN A 86 -2.905 -8.822 -2.215 1.00 0.33 H new ATOM 0 HB2 GLN A 86 -5.546 -7.796 -2.873 1.00 0.56 H new ATOM 0 HB3 GLN A 86 -4.705 -8.158 -4.367 1.00 0.56 H new ATOM 0 HG2 GLN A 86 -5.348 -10.048 -2.087 1.00 1.06 H new ATOM 0 HG3 GLN A 86 -5.951 -10.107 -3.731 1.00 1.06 H new ATOM 0 HE21 GLN A 86 -3.431 -9.904 -5.171 1.00 1.98 H new ATOM 0 HE22 GLN A 86 -2.526 -11.379 -4.818 1.00 1.98 H new ATOM 963 N ALA A 87 -2.074 -6.154 -3.654 1.00 0.23 N ATOM 964 CA ALA A 87 -1.009 -5.561 -4.462 1.00 0.27 C ATOM 965 C ALA A 87 0.374 -6.158 -4.153 1.00 0.29 C ATOM 966 O ALA A 87 1.191 -6.303 -5.061 1.00 0.48 O ATOM 967 CB ALA A 87 -1.020 -4.044 -4.251 1.00 0.28 C ATOM 0 H ALA A 87 -2.510 -5.491 -3.013 1.00 0.23 H new ATOM 0 HA ALA A 87 -1.202 -5.792 -5.510 1.00 0.27 H new ATOM 0 HB1 ALA A 87 -0.230 -3.588 -4.848 1.00 0.28 H new ATOM 0 HB2 ALA A 87 -1.985 -3.641 -4.558 1.00 0.28 H new ATOM 0 HB3 ALA A 87 -0.852 -3.822 -3.197 1.00 0.28 H new ATOM 973 N LEU A 88 0.635 -6.536 -2.897 1.00 0.23 N ATOM 974 CA LEU A 88 1.944 -7.058 -2.472 1.00 0.26 C ATOM 975 C LEU A 88 1.898 -8.256 -1.521 1.00 0.33 C ATOM 976 O LEU A 88 2.949 -8.776 -1.170 1.00 0.40 O ATOM 977 CB LEU A 88 2.805 -5.903 -1.948 1.00 0.29 C ATOM 978 CG LEU A 88 2.564 -5.328 -0.534 1.00 0.33 C ATOM 979 CD1 LEU A 88 1.111 -5.022 -0.195 1.00 0.39 C ATOM 980 CD2 LEU A 88 3.175 -6.205 0.554 1.00 0.34 C ATOM 0 H LEU A 88 -0.053 -6.490 -2.145 1.00 0.23 H new ATOM 0 HA LEU A 88 2.414 -7.485 -3.358 1.00 0.26 H new ATOM 0 HB2 LEU A 88 3.844 -6.230 -1.990 1.00 0.29 H new ATOM 0 HB3 LEU A 88 2.702 -5.078 -2.653 1.00 0.29 H new ATOM 0 HG LEU A 88 3.076 -4.366 -0.561 1.00 0.33 H new ATOM 0 HD11 LEU A 88 1.050 -4.624 0.818 1.00 0.39 H new ATOM 0 HD12 LEU A 88 0.720 -4.287 -0.898 1.00 0.39 H new ATOM 0 HD13 LEU A 88 0.522 -5.936 -0.261 1.00 0.39 H new ATOM 0 HD21 LEU A 88 2.981 -5.762 1.531 1.00 0.34 H new ATOM 0 HD22 LEU A 88 2.731 -7.199 0.512 1.00 0.34 H new ATOM 0 HD23 LEU A 88 4.251 -6.282 0.398 1.00 0.34 H new ATOM 992 N LYS A 89 0.722 -8.742 -1.128 1.00 0.43 N ATOM 993 CA LYS A 89 0.538 -9.911 -0.265 1.00 0.59 C ATOM 994 C LYS A 89 1.326 -11.129 -0.735 1.00 0.64 C ATOM 995 O LYS A 89 1.887 -11.862 0.080 1.00 0.75 O ATOM 996 CB LYS A 89 -0.975 -10.177 -0.218 1.00 0.71 C ATOM 997 CG LYS A 89 -1.343 -11.620 0.117 1.00 0.59 C ATOM 998 CD LYS A 89 -2.844 -11.756 0.398 1.00 0.67 C ATOM 999 CE LYS A 89 -3.250 -13.200 0.124 1.00 2.06 C ATOM 1000 NZ LYS A 89 -4.655 -13.466 0.509 1.00 2.20 N ATOM 0 H LYS A 89 -0.162 -8.318 -1.411 1.00 0.43 H new ATOM 0 HA LYS A 89 0.931 -9.711 0.732 1.00 0.59 H new ATOM 0 HB2 LYS A 89 -1.426 -9.517 0.523 1.00 0.71 H new ATOM 0 HB3 LYS A 89 -1.409 -9.917 -1.183 1.00 0.71 H new ATOM 0 HG2 LYS A 89 -1.065 -12.271 -0.712 1.00 0.59 H new ATOM 0 HG3 LYS A 89 -0.776 -11.951 0.987 1.00 0.59 H new ATOM 0 HD2 LYS A 89 -3.063 -11.489 1.432 1.00 0.67 H new ATOM 0 HD3 LYS A 89 -3.413 -11.074 -0.235 1.00 0.67 H new ATOM 0 HE2 LYS A 89 -3.117 -13.419 -0.936 1.00 2.06 H new ATOM 0 HE3 LYS A 89 -2.591 -13.872 0.673 1.00 2.06 H new ATOM 0 HZ1 LYS A 89 -4.889 -14.459 0.306 1.00 2.20 H new ATOM 0 HZ2 LYS A 89 -4.777 -13.283 1.525 1.00 2.20 H new ATOM 0 HZ3 LYS A 89 -5.287 -12.844 -0.033 1.00 2.20 H new ATOM 1014 N GLU A 90 1.401 -11.340 -2.044 1.00 0.65 N ATOM 1015 CA GLU A 90 2.064 -12.483 -2.622 1.00 0.78 C ATOM 1016 C GLU A 90 3.603 -12.334 -2.561 1.00 0.82 C ATOM 1017 O GLU A 90 4.348 -13.311 -2.643 1.00 1.15 O ATOM 1018 CB GLU A 90 1.542 -12.593 -4.054 1.00 0.83 C ATOM 1019 CG GLU A 90 0.090 -13.101 -4.162 1.00 0.95 C ATOM 1020 CD GLU A 90 -0.422 -13.115 -5.612 1.00 1.06 C ATOM 1021 OE1 GLU A 90 0.261 -13.689 -6.497 1.00 1.71 O ATOM 1022 OE2 GLU A 90 -1.512 -12.551 -5.888 1.00 1.89 O ATOM 0 H GLU A 90 0.995 -10.709 -2.735 1.00 0.65 H new ATOM 0 HA GLU A 90 1.848 -13.396 -2.067 1.00 0.78 H new ATOM 0 HB2 GLU A 90 1.609 -11.614 -4.529 1.00 0.83 H new ATOM 0 HB3 GLU A 90 2.192 -13.264 -4.615 1.00 0.83 H new ATOM 0 HG2 GLU A 90 0.029 -14.108 -3.749 1.00 0.95 H new ATOM 0 HG3 GLU A 90 -0.559 -12.468 -3.557 1.00 0.95 H new ATOM 1029 N GLU A 91 4.078 -11.100 -2.370 1.00 0.57 N ATOM 1030 CA GLU A 91 5.460 -10.659 -2.218 1.00 0.57 C ATOM 1031 C GLU A 91 5.896 -10.705 -0.736 1.00 0.58 C ATOM 1032 O GLU A 91 6.924 -11.306 -0.405 1.00 0.68 O ATOM 1033 CB GLU A 91 5.502 -9.223 -2.786 1.00 0.61 C ATOM 1034 CG GLU A 91 6.821 -8.692 -3.314 1.00 1.05 C ATOM 1035 CD GLU A 91 7.494 -9.618 -4.333 1.00 1.49 C ATOM 1036 OE1 GLU A 91 8.543 -10.205 -3.974 1.00 2.43 O ATOM 1037 OE2 GLU A 91 6.982 -9.777 -5.468 1.00 2.06 O ATOM 0 H GLU A 91 3.437 -10.309 -2.313 1.00 0.57 H new ATOM 0 HA GLU A 91 6.155 -11.310 -2.748 1.00 0.57 H new ATOM 0 HB2 GLU A 91 4.774 -9.165 -3.595 1.00 0.61 H new ATOM 0 HB3 GLU A 91 5.162 -8.546 -2.002 1.00 0.61 H new ATOM 0 HG2 GLU A 91 6.652 -7.719 -3.776 1.00 1.05 H new ATOM 0 HG3 GLU A 91 7.500 -8.533 -2.476 1.00 1.05 H new ATOM 1044 N ILE A 92 5.100 -10.081 0.146 1.00 0.57 N ATOM 1045 CA ILE A 92 5.268 -9.957 1.603 1.00 0.64 C ATOM 1046 C ILE A 92 3.875 -9.928 2.249 1.00 0.70 C ATOM 1047 O ILE A 92 3.101 -8.997 2.058 1.00 0.76 O ATOM 1048 CB ILE A 92 6.056 -8.682 1.983 1.00 0.66 C ATOM 1049 CG1 ILE A 92 7.383 -8.598 1.198 1.00 0.82 C ATOM 1050 CG2 ILE A 92 6.293 -8.662 3.509 1.00 0.74 C ATOM 1051 CD1 ILE A 92 8.238 -7.387 1.546 1.00 1.02 C ATOM 0 H ILE A 92 4.251 -9.611 -0.168 1.00 0.57 H new ATOM 0 HA ILE A 92 5.842 -10.809 1.966 1.00 0.64 H new ATOM 0 HB ILE A 92 5.472 -7.803 1.711 1.00 0.66 H new ATOM 0 HG12 ILE A 92 7.961 -9.503 1.385 1.00 0.82 H new ATOM 0 HG13 ILE A 92 7.160 -8.577 0.131 1.00 0.82 H new ATOM 0 HG21 ILE A 92 6.848 -7.764 3.779 1.00 0.74 H new ATOM 0 HG22 ILE A 92 5.334 -8.665 4.026 1.00 0.74 H new ATOM 0 HG23 ILE A 92 6.865 -9.543 3.800 1.00 0.74 H new ATOM 0 HD11 ILE A 92 9.151 -7.403 0.951 1.00 1.02 H new ATOM 0 HD12 ILE A 92 7.681 -6.475 1.331 1.00 1.02 H new ATOM 0 HD13 ILE A 92 8.494 -7.415 2.605 1.00 1.02 H new ATOM 1063 N LYS A 93 3.534 -10.941 3.039 1.00 0.78 N ATOM 1064 CA LYS A 93 2.151 -11.242 3.438 1.00 0.72 C ATOM 1065 C LYS A 93 1.703 -10.594 4.762 1.00 0.72 C ATOM 1066 O LYS A 93 0.555 -10.720 5.185 1.00 0.70 O ATOM 1067 CB LYS A 93 2.136 -12.776 3.580 1.00 0.95 C ATOM 1068 CG LYS A 93 0.952 -13.525 3.004 1.00 1.81 C ATOM 1069 CD LYS A 93 -0.380 -13.311 3.737 1.00 3.45 C ATOM 1070 CE LYS A 93 -1.404 -14.410 3.427 1.00 4.10 C ATOM 1071 NZ LYS A 93 -1.015 -15.733 3.976 1.00 4.06 N ATOM 0 H LYS A 93 4.217 -11.590 3.430 1.00 0.78 H new ATOM 0 HA LYS A 93 1.457 -10.840 2.700 1.00 0.72 H new ATOM 0 HB2 LYS A 93 3.040 -13.165 3.111 1.00 0.95 H new ATOM 0 HB3 LYS A 93 2.200 -13.015 4.642 1.00 0.95 H new ATOM 0 HG2 LYS A 93 0.827 -13.228 1.963 1.00 1.81 H new ATOM 0 HG3 LYS A 93 1.182 -14.591 3.006 1.00 1.81 H new ATOM 0 HD2 LYS A 93 -0.199 -13.280 4.811 1.00 3.45 H new ATOM 0 HD3 LYS A 93 -0.794 -12.343 3.456 1.00 3.45 H new ATOM 0 HE2 LYS A 93 -2.373 -14.123 3.836 1.00 4.10 H new ATOM 0 HE3 LYS A 93 -1.526 -14.492 2.347 1.00 4.10 H new ATOM 0 HZ1 LYS A 93 -1.846 -16.358 3.996 1.00 4.06 H new ATOM 0 HZ2 LYS A 93 -0.278 -16.155 3.376 1.00 4.06 H new ATOM 0 HZ3 LYS A 93 -0.648 -15.614 4.942 1.00 4.06 H new ATOM 1085 N GLU A 94 2.643 -9.975 5.469 1.00 0.83 N ATOM 1086 CA GLU A 94 2.625 -9.539 6.852 1.00 0.89 C ATOM 1087 C GLU A 94 1.693 -8.337 7.161 1.00 0.78 C ATOM 1088 O GLU A 94 2.134 -7.313 7.679 1.00 0.95 O ATOM 1089 CB GLU A 94 4.096 -9.237 7.167 1.00 1.25 C ATOM 1090 CG GLU A 94 5.119 -10.383 7.033 1.00 1.64 C ATOM 1091 CD GLU A 94 4.998 -11.434 8.145 1.00 1.97 C ATOM 1092 OE1 GLU A 94 4.230 -12.409 7.976 1.00 2.58 O ATOM 1093 OE2 GLU A 94 5.697 -11.340 9.181 1.00 3.13 O ATOM 0 H GLU A 94 3.535 -9.743 5.032 1.00 0.83 H new ATOM 0 HA GLU A 94 2.196 -10.314 7.487 1.00 0.89 H new ATOM 0 HB2 GLU A 94 4.417 -8.426 6.513 1.00 1.25 H new ATOM 0 HB3 GLU A 94 4.148 -8.862 8.189 1.00 1.25 H new ATOM 0 HG2 GLU A 94 4.986 -10.869 6.066 1.00 1.64 H new ATOM 0 HG3 GLU A 94 6.126 -9.966 7.044 1.00 1.64 H new ATOM 1100 N MET A 95 0.386 -8.418 6.877 1.00 0.76 N ATOM 1101 CA MET A 95 -0.562 -7.306 7.113 1.00 0.90 C ATOM 1102 C MET A 95 -0.989 -7.065 8.575 1.00 0.88 C ATOM 1103 O MET A 95 -1.704 -6.097 8.849 1.00 1.02 O ATOM 1104 CB MET A 95 -1.729 -7.327 6.111 1.00 1.02 C ATOM 1105 CG MET A 95 -1.230 -6.914 4.718 1.00 1.11 C ATOM 1106 SD MET A 95 -0.911 -8.266 3.560 1.00 1.23 S ATOM 1107 CE MET A 95 -0.035 -7.309 2.303 1.00 1.84 C ATOM 0 H MET A 95 -0.049 -9.250 6.479 1.00 0.76 H new ATOM 0 HA MET A 95 0.021 -6.408 6.910 1.00 0.90 H new ATOM 0 HB2 MET A 95 -2.166 -8.325 6.069 1.00 1.02 H new ATOM 0 HB3 MET A 95 -2.515 -6.648 6.441 1.00 1.02 H new ATOM 0 HG2 MET A 95 -1.967 -6.246 4.272 1.00 1.11 H new ATOM 0 HG3 MET A 95 -0.311 -6.340 4.838 1.00 1.11 H new ATOM 0 HE1 MET A 95 -0.116 -7.813 1.340 1.00 1.84 H new ATOM 0 HE2 MET A 95 -0.475 -6.315 2.230 1.00 1.84 H new ATOM 0 HE3 MET A 95 1.016 -7.221 2.579 1.00 1.84 H new ATOM 1117 N HIS A 96 -0.432 -7.811 9.537 1.00 0.76 N ATOM 1118 CA HIS A 96 -0.254 -7.335 10.923 1.00 0.72 C ATOM 1119 C HIS A 96 0.617 -6.060 11.000 1.00 0.54 C ATOM 1120 O HIS A 96 0.430 -5.197 11.863 1.00 0.72 O ATOM 1121 CB HIS A 96 0.381 -8.464 11.752 1.00 0.88 C ATOM 1122 CG HIS A 96 0.730 -8.047 13.162 1.00 2.11 C ATOM 1123 ND1 HIS A 96 -0.160 -7.626 14.121 1.00 3.57 N ATOM 1124 CD2 HIS A 96 1.984 -7.949 13.708 1.00 2.66 C ATOM 1125 CE1 HIS A 96 0.532 -7.279 15.216 1.00 4.69 C ATOM 1126 NE2 HIS A 96 1.851 -7.463 15.018 1.00 4.12 N ATOM 0 H HIS A 96 -0.091 -8.760 9.382 1.00 0.76 H new ATOM 0 HA HIS A 96 -1.233 -7.070 11.323 1.00 0.72 H new ATOM 0 HB2 HIS A 96 -0.307 -9.308 11.790 1.00 0.88 H new ATOM 0 HB3 HIS A 96 1.284 -8.811 11.249 1.00 0.88 H new ATOM 0 HD2 HIS A 96 2.912 -8.202 13.216 1.00 2.66 H new ATOM 0 HE1 HIS A 96 0.093 -6.904 16.129 1.00 4.69 H new ATOM 0 HE2 HIS A 96 2.602 -7.285 15.685 1.00 4.12 H new ATOM 1134 N GLY A 97 1.541 -5.941 10.050 1.00 0.37 N ATOM 1135 CA GLY A 97 2.507 -4.863 9.870 1.00 0.41 C ATOM 1136 C GLY A 97 2.014 -3.627 9.131 1.00 0.41 C ATOM 1137 O GLY A 97 2.524 -2.525 9.333 1.00 0.50 O ATOM 0 H GLY A 97 1.641 -6.655 9.328 1.00 0.37 H new ATOM 0 HA2 GLY A 97 2.861 -4.554 10.854 1.00 0.41 H new ATOM 0 HA3 GLY A 97 3.367 -5.262 9.332 1.00 0.41 H new ATOM 1141 N LEU A 98 1.074 -3.818 8.215 1.00 0.41 N ATOM 1142 CA LEU A 98 0.737 -2.812 7.208 1.00 0.48 C ATOM 1143 C LEU A 98 -0.343 -1.868 7.707 1.00 0.47 C ATOM 1144 O LEU A 98 -1.476 -2.249 8.013 1.00 0.68 O ATOM 1145 CB LEU A 98 0.368 -3.485 5.881 1.00 0.65 C ATOM 1146 CG LEU A 98 1.534 -4.306 5.311 1.00 0.95 C ATOM 1147 CD1 LEU A 98 1.436 -4.418 3.809 1.00 2.18 C ATOM 1148 CD2 LEU A 98 2.872 -3.610 5.458 1.00 1.37 C ATOM 0 H LEU A 98 0.522 -4.673 8.146 1.00 0.41 H new ATOM 0 HA LEU A 98 1.617 -2.196 7.023 1.00 0.48 H new ATOM 0 HB2 LEU A 98 -0.494 -4.135 6.031 1.00 0.65 H new ATOM 0 HB3 LEU A 98 0.072 -2.725 5.158 1.00 0.65 H new ATOM 0 HG LEU A 98 1.474 -5.250 5.852 1.00 0.95 H new ATOM 0 HD11 LEU A 98 2.274 -5.004 3.432 1.00 2.18 H new ATOM 0 HD12 LEU A 98 0.500 -4.909 3.541 1.00 2.18 H new ATOM 0 HD13 LEU A 98 1.463 -3.422 3.367 1.00 2.18 H new ATOM 0 HD21 LEU A 98 3.657 -4.238 5.037 1.00 1.37 H new ATOM 0 HD22 LEU A 98 2.847 -2.658 4.929 1.00 1.37 H new ATOM 0 HD23 LEU A 98 3.076 -3.433 6.514 1.00 1.37 H new ATOM 1160 N ARG A 99 0.050 -0.602 7.726 1.00 0.34 N ATOM 1161 CA ARG A 99 -0.742 0.537 8.164 1.00 0.31 C ATOM 1162 C ARG A 99 -1.130 1.297 6.914 1.00 0.29 C ATOM 1163 O ARG A 99 -0.286 1.970 6.324 1.00 0.33 O ATOM 1164 CB ARG A 99 0.086 1.341 9.161 1.00 0.30 C ATOM 1165 CG ARG A 99 -0.862 1.998 10.166 1.00 0.47 C ATOM 1166 CD ARG A 99 -0.071 2.738 11.230 1.00 0.74 C ATOM 1167 NE ARG A 99 0.844 1.850 11.969 1.00 2.59 N ATOM 1168 CZ ARG A 99 1.616 2.177 12.981 1.00 3.37 C ATOM 1169 NH1 ARG A 99 1.628 3.375 13.487 1.00 2.65 N ATOM 1170 NH2 ARG A 99 2.399 1.265 13.473 1.00 5.28 N ATOM 0 H ARG A 99 0.983 -0.328 7.419 1.00 0.34 H new ATOM 0 HA ARG A 99 -1.659 0.265 8.686 1.00 0.31 H new ATOM 0 HB2 ARG A 99 0.793 0.691 9.677 1.00 0.30 H new ATOM 0 HB3 ARG A 99 0.671 2.100 8.642 1.00 0.30 H new ATOM 0 HG2 ARG A 99 -1.527 2.691 9.650 1.00 0.47 H new ATOM 0 HG3 ARG A 99 -1.491 1.240 10.632 1.00 0.47 H new ATOM 0 HD2 ARG A 99 0.503 3.538 10.762 1.00 0.74 H new ATOM 0 HD3 ARG A 99 -0.761 3.208 11.930 1.00 0.74 H new ATOM 0 HE ARG A 99 0.882 0.878 11.662 1.00 2.59 H new ATOM 0 HH11 ARG A 99 1.024 4.099 13.098 1.00 2.65 H new ATOM 0 HH12 ARG A 99 2.241 3.591 14.273 1.00 2.65 H new ATOM 0 HH21 ARG A 99 2.403 0.326 13.074 1.00 5.28 H new ATOM 0 HH22 ARG A 99 3.010 1.487 14.259 1.00 5.28 H new ATOM 1184 N ILE A 100 -2.353 1.074 6.446 1.00 0.28 N ATOM 1185 CA ILE A 100 -2.768 1.476 5.103 1.00 0.23 C ATOM 1186 C ILE A 100 -3.818 2.564 5.160 1.00 0.23 C ATOM 1187 O ILE A 100 -4.702 2.594 6.015 1.00 0.27 O ATOM 1188 CB ILE A 100 -3.202 0.280 4.213 1.00 0.25 C ATOM 1189 CG1 ILE A 100 -2.506 -1.064 4.545 1.00 0.46 C ATOM 1190 CG2 ILE A 100 -2.940 0.629 2.741 1.00 0.38 C ATOM 1191 CD1 ILE A 100 -2.902 -2.215 3.605 1.00 0.58 C ATOM 0 H ILE A 100 -3.085 0.610 6.984 1.00 0.28 H new ATOM 0 HA ILE A 100 -1.887 1.893 4.614 1.00 0.23 H new ATOM 0 HB ILE A 100 -4.262 0.127 4.415 1.00 0.25 H new ATOM 0 HG12 ILE A 100 -1.426 -0.925 4.499 1.00 0.46 H new ATOM 0 HG13 ILE A 100 -2.748 -1.345 5.570 1.00 0.46 H new ATOM 0 HG21 ILE A 100 -3.242 -0.206 2.110 1.00 0.38 H new ATOM 0 HG22 ILE A 100 -3.514 1.515 2.470 1.00 0.38 H new ATOM 0 HG23 ILE A 100 -1.878 0.826 2.597 1.00 0.38 H new ATOM 0 HD11 ILE A 100 -2.375 -3.123 3.899 1.00 0.58 H new ATOM 0 HD12 ILE A 100 -3.977 -2.383 3.668 1.00 0.58 H new ATOM 0 HD13 ILE A 100 -2.635 -1.956 2.580 1.00 0.58 H new ATOM 1203 N PHE A 101 -3.633 3.476 4.225 1.00 0.21 N ATOM 1204 CA PHE A 101 -4.257 4.768 4.160 1.00 0.18 C ATOM 1205 C PHE A 101 -4.721 4.982 2.715 1.00 0.17 C ATOM 1206 O PHE A 101 -3.919 4.964 1.785 1.00 0.32 O ATOM 1207 CB PHE A 101 -3.176 5.759 4.593 1.00 0.25 C ATOM 1208 CG PHE A 101 -2.732 5.698 6.041 1.00 0.31 C ATOM 1209 CD1 PHE A 101 -3.358 6.491 7.018 1.00 1.71 C ATOM 1210 CD2 PHE A 101 -1.651 4.876 6.402 1.00 1.93 C ATOM 1211 CE1 PHE A 101 -2.909 6.451 8.350 1.00 1.72 C ATOM 1212 CE2 PHE A 101 -1.218 4.815 7.736 1.00 1.99 C ATOM 1213 CZ PHE A 101 -1.844 5.606 8.713 1.00 0.56 C ATOM 0 H PHE A 101 -2.999 3.315 3.442 1.00 0.21 H new ATOM 0 HA PHE A 101 -5.131 4.885 4.800 1.00 0.18 H new ATOM 0 HB2 PHE A 101 -2.301 5.603 3.963 1.00 0.25 H new ATOM 0 HB3 PHE A 101 -3.539 6.767 4.391 1.00 0.25 H new ATOM 0 HD1 PHE A 101 -4.184 7.131 6.746 1.00 1.71 H new ATOM 0 HD2 PHE A 101 -1.150 4.287 5.648 1.00 1.93 H new ATOM 0 HE1 PHE A 101 -3.383 7.071 9.097 1.00 1.72 H new ATOM 0 HE2 PHE A 101 -0.404 4.160 8.011 1.00 1.99 H new ATOM 0 HZ PHE A 101 -1.509 5.566 9.739 1.00 0.56 H new ATOM 1223 N THR A 102 -6.025 5.116 2.513 1.00 0.16 N ATOM 1224 CA THR A 102 -6.696 5.232 1.207 1.00 0.18 C ATOM 1225 C THR A 102 -7.725 6.343 1.246 1.00 0.19 C ATOM 1226 O THR A 102 -8.392 6.594 2.254 1.00 0.27 O ATOM 1227 CB THR A 102 -7.453 3.939 0.843 1.00 0.21 C ATOM 1228 OG1 THR A 102 -8.247 3.470 1.920 1.00 0.24 O ATOM 1229 CG2 THR A 102 -6.499 2.809 0.472 1.00 0.25 C ATOM 0 H THR A 102 -6.685 5.149 3.290 1.00 0.16 H new ATOM 0 HA THR A 102 -5.918 5.432 0.471 1.00 0.18 H new ATOM 0 HB THR A 102 -8.082 4.203 -0.007 1.00 0.21 H new ATOM 0 HG1 THR A 102 -9.195 3.558 1.690 1.00 0.24 H new ATOM 0 HG21 THR A 102 -7.072 1.916 0.222 1.00 0.25 H new ATOM 0 HG22 THR A 102 -5.899 3.107 -0.388 1.00 0.25 H new ATOM 0 HG23 THR A 102 -5.843 2.595 1.316 1.00 0.25 H new ATOM 1237 N SER A 103 -7.881 6.974 0.094 1.00 0.21 N ATOM 1238 CA SER A 103 -8.886 7.992 -0.161 1.00 0.22 C ATOM 1239 C SER A 103 -9.235 8.033 -1.651 1.00 0.20 C ATOM 1240 O SER A 103 -8.690 7.270 -2.453 1.00 0.20 O ATOM 1241 CB SER A 103 -8.395 9.354 0.363 1.00 0.26 C ATOM 1242 OG SER A 103 -7.002 9.554 0.226 1.00 0.59 O ATOM 0 H SER A 103 -7.291 6.785 -0.717 1.00 0.21 H new ATOM 0 HA SER A 103 -9.803 7.745 0.375 1.00 0.22 H new ATOM 0 HB2 SER A 103 -8.920 10.147 -0.169 1.00 0.26 H new ATOM 0 HB3 SER A 103 -8.663 9.445 1.416 1.00 0.26 H new ATOM 0 HG SER A 103 -6.832 10.463 -0.099 1.00 0.59 H new ATOM 1248 N VAL A 104 -10.160 8.906 -2.039 1.00 0.24 N ATOM 1249 CA VAL A 104 -10.612 9.028 -3.431 1.00 0.22 C ATOM 1250 C VAL A 104 -10.957 10.472 -3.791 1.00 0.28 C ATOM 1251 O VAL A 104 -11.686 11.126 -3.041 1.00 0.38 O ATOM 1252 CB VAL A 104 -11.791 8.074 -3.690 1.00 0.25 C ATOM 1253 CG1 VAL A 104 -12.979 8.241 -2.753 1.00 0.32 C ATOM 1254 CG2 VAL A 104 -12.346 8.176 -5.106 1.00 0.28 C ATOM 0 H VAL A 104 -10.621 9.553 -1.399 1.00 0.24 H new ATOM 0 HA VAL A 104 -9.790 8.737 -4.085 1.00 0.22 H new ATOM 0 HB VAL A 104 -11.330 7.102 -3.513 1.00 0.25 H new ATOM 0 HG11 VAL A 104 -13.755 7.523 -3.018 1.00 0.32 H new ATOM 0 HG12 VAL A 104 -12.659 8.066 -1.726 1.00 0.32 H new ATOM 0 HG13 VAL A 104 -13.374 9.253 -2.843 1.00 0.32 H new ATOM 0 HG21 VAL A 104 -13.175 7.478 -5.223 1.00 0.28 H new ATOM 0 HG22 VAL A 104 -12.699 9.191 -5.286 1.00 0.28 H new ATOM 0 HG23 VAL A 104 -11.562 7.932 -5.823 1.00 0.28 H new ATOM 1264 N PRO A 105 -10.483 10.971 -4.945 1.00 0.32 N ATOM 1265 CA PRO A 105 -10.974 12.203 -5.525 1.00 0.60 C ATOM 1266 C PRO A 105 -12.323 11.929 -6.208 1.00 0.87 C ATOM 1267 O PRO A 105 -12.446 11.046 -7.063 1.00 1.01 O ATOM 1268 CB PRO A 105 -9.892 12.634 -6.513 1.00 0.65 C ATOM 1269 CG PRO A 105 -9.348 11.298 -7.023 1.00 0.42 C ATOM 1270 CD PRO A 105 -9.574 10.329 -5.879 1.00 0.31 C ATOM 0 HA PRO A 105 -11.153 12.993 -4.795 1.00 0.60 H new ATOM 0 HB2 PRO A 105 -10.301 13.240 -7.322 1.00 0.65 H new ATOM 0 HB3 PRO A 105 -9.117 13.229 -6.030 1.00 0.65 H new ATOM 0 HG2 PRO A 105 -9.870 10.976 -7.924 1.00 0.42 H new ATOM 0 HG3 PRO A 105 -8.290 11.372 -7.277 1.00 0.42 H new ATOM 0 HD2 PRO A 105 -9.996 9.393 -6.245 1.00 0.31 H new ATOM 0 HD3 PRO A 105 -8.631 10.084 -5.391 1.00 0.31 H new ATOM 1278 N LYS A 106 -13.360 12.663 -5.821 1.00 1.20 N ATOM 1279 CA LYS A 106 -14.716 12.552 -6.334 1.00 1.50 C ATOM 1280 C LYS A 106 -15.318 13.961 -6.443 1.00 1.80 C ATOM 1281 O LYS A 106 -16.238 14.321 -5.699 1.00 2.05 O ATOM 1282 CB LYS A 106 -15.482 11.571 -5.424 1.00 1.71 C ATOM 1283 CG LYS A 106 -16.782 11.174 -6.112 1.00 2.00 C ATOM 1284 CD LYS A 106 -17.765 10.456 -5.177 1.00 1.95 C ATOM 1285 CE LYS A 106 -18.955 9.912 -5.979 1.00 2.23 C ATOM 1286 NZ LYS A 106 -20.037 9.411 -5.102 1.00 3.22 N ATOM 0 H LYS A 106 -13.271 13.386 -5.107 1.00 1.20 H new ATOM 0 HA LYS A 106 -14.767 12.139 -7.342 1.00 1.50 H new ATOM 0 HB2 LYS A 106 -14.875 10.688 -5.226 1.00 1.71 H new ATOM 0 HB3 LYS A 106 -15.692 12.036 -4.461 1.00 1.71 H new ATOM 0 HG2 LYS A 106 -17.260 12.067 -6.515 1.00 2.00 H new ATOM 0 HG3 LYS A 106 -16.555 10.525 -6.958 1.00 2.00 H new ATOM 0 HD2 LYS A 106 -17.259 9.639 -4.663 1.00 1.95 H new ATOM 0 HD3 LYS A 106 -18.118 11.145 -4.410 1.00 1.95 H new ATOM 0 HE2 LYS A 106 -19.347 10.699 -6.624 1.00 2.23 H new ATOM 0 HE3 LYS A 106 -18.615 9.107 -6.630 1.00 2.23 H new ATOM 0 HZ1 LYS A 106 -20.820 9.053 -5.686 1.00 3.22 H new ATOM 0 HZ2 LYS A 106 -19.672 8.642 -4.504 1.00 3.22 H new ATOM 0 HZ3 LYS A 106 -20.381 10.185 -4.498 1.00 3.22 H new ATOM 1300 N ARG A 107 -14.731 14.777 -7.327 1.00 2.00 N ATOM 1301 CA ARG A 107 -15.160 16.149 -7.650 1.00 2.46 C ATOM 1302 C ARG A 107 -14.941 16.484 -9.124 1.00 3.18 C ATOM 1303 O ARG A 107 -15.950 16.479 -9.868 1.00 3.71 O ATOM 1304 CB ARG A 107 -14.455 17.144 -6.708 1.00 2.54 C ATOM 1305 CG ARG A 107 -14.967 18.576 -6.925 1.00 3.30 C ATOM 1306 CD ARG A 107 -14.187 19.583 -6.082 1.00 4.21 C ATOM 1307 NE ARG A 107 -14.655 20.950 -6.356 1.00 5.27 N ATOM 1308 CZ ARG A 107 -14.049 21.873 -7.071 1.00 6.03 C ATOM 1309 NH1 ARG A 107 -12.943 21.647 -7.715 1.00 6.20 N ATOM 1310 NH2 ARG A 107 -14.588 23.049 -7.136 1.00 7.18 N ATOM 1311 OXT ARG A 107 -13.780 16.748 -9.517 1.00 4.22 O ATOM 0 H ARG A 107 -13.910 14.490 -7.860 1.00 2.00 H new ATOM 0 HA ARG A 107 -16.235 16.229 -7.488 1.00 2.46 H new ATOM 0 HB2 ARG A 107 -14.622 16.849 -5.672 1.00 2.54 H new ATOM 0 HB3 ARG A 107 -13.379 17.110 -6.879 1.00 2.54 H new ATOM 0 HG2 ARG A 107 -14.881 18.838 -7.979 1.00 3.30 H new ATOM 0 HG3 ARG A 107 -16.025 18.628 -6.669 1.00 3.30 H new ATOM 0 HD2 ARG A 107 -14.311 19.354 -5.023 1.00 4.21 H new ATOM 0 HD3 ARG A 107 -13.122 19.505 -6.303 1.00 4.21 H new ATOM 0 HE ARG A 107 -15.551 21.212 -5.945 1.00 5.27 H new ATOM 0 HH11 ARG A 107 -12.511 20.724 -7.678 1.00 6.20 H new ATOM 0 HH12 ARG A 107 -12.507 22.393 -8.258 1.00 6.20 H new ATOM 0 HH21 ARG A 107 -15.459 23.239 -6.641 1.00 7.18 H new ATOM 0 HH22 ARG A 107 -14.141 23.785 -7.683 1.00 7.18 H new TER 1325 ARG A 107