USER MOD reduce.3.24.130724 H: found=0, std=0, add=854, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 855 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 30 ASN : amide:sc= -0.925 K(o=-0.16,f=-6.2!) USER MOD Set 1.2: A 81 THR OG1 : rot -68:sc= 0.761 USER MOD Single : A 29 SER OG : rot 160:sc= -1.73! USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 177:sc= 1.08 (180deg=1.03) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc= -0.233 K(o=-0.23,f=-1.2) USER MOD Single : A 51 THR OG1 : rot 47:sc= 0.344 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 64 GLN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ -171:sc=-0.00271 (180deg=-0.137) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 THR OG1 : rot 62:sc= 0.76 USER MOD Single : A 91 LYS NZ :NH3+ -150:sc= 1.27 (180deg=1.02) USER MOD Single : A 93 LYS NZ :NH3+ -118:sc= 1.15 (180deg=-0.18) USER MOD Single : A 94 LYS NZ :NH3+ -168:sc= -0.0277 (180deg=-0.203) USER MOD Single : A 101 LYS NZ :NH3+ -168:sc= -0.0217 (180deg=-0.218) USER MOD Single : A 103 ASN : amide:sc= 1.22 K(o=1.2,f=-6!) USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 THR OG1 : rot 180:sc= 0 USER MOD Single : A 111 SER OG : rot 180:sc= -0.322 USER MOD Single : A 116 LYS NZ :NH3+ -171:sc= 1.26 (180deg=1.12) USER MOD Single : A 120 LYS NZ :NH3+ 168:sc=-0.00809 (180deg=-0.157) USER MOD Single : A 123 SER OG : rot -113:sc= 1.24 USER MOD ----------------------------------------------------------------- ATOM 17 N ARG A 22 2.508 -14.036 -0.980 1.00 0.88 N ATOM 18 CA ARG A 22 2.550 -12.810 -1.765 1.00 0.73 C ATOM 19 C ARG A 22 2.560 -11.579 -0.865 1.00 0.55 C ATOM 20 O ARG A 22 1.585 -11.301 -0.164 1.00 0.56 O ATOM 21 CB ARG A 22 1.349 -12.750 -2.715 1.00 0.86 C ATOM 22 CG ARG A 22 1.313 -13.877 -3.735 1.00 1.33 C ATOM 23 CD ARG A 22 2.472 -13.787 -4.713 1.00 1.33 C ATOM 24 NE ARG A 22 2.446 -14.869 -5.695 1.00 1.91 N ATOM 25 CZ ARG A 22 2.776 -14.722 -6.979 1.00 2.43 C ATOM 26 NH1 ARG A 22 3.182 -13.541 -7.436 1.00 2.62 N ATOM 27 NH2 ARG A 22 2.709 -15.758 -7.803 1.00 3.31 N ATOM 0 HA ARG A 22 3.471 -12.815 -2.347 1.00 0.73 H new ATOM 0 HB2 ARG A 22 0.432 -12.776 -2.127 1.00 0.86 H new ATOM 0 HB3 ARG A 22 1.363 -11.796 -3.242 1.00 0.86 H new ATOM 0 HG2 ARG A 22 1.346 -14.836 -3.219 1.00 1.33 H new ATOM 0 HG3 ARG A 22 0.371 -13.842 -4.283 1.00 1.33 H new ATOM 0 HD2 ARG A 22 2.437 -12.828 -5.230 1.00 1.33 H new ATOM 0 HD3 ARG A 22 3.413 -13.819 -4.164 1.00 1.33 H new ATOM 0 HE ARG A 22 2.157 -15.795 -5.379 1.00 1.91 H new ATOM 0 HH11 ARG A 22 3.242 -12.743 -6.804 1.00 2.62 H new ATOM 0 HH12 ARG A 22 3.433 -13.433 -8.419 1.00 2.62 H new ATOM 0 HH21 ARG A 22 2.405 -16.667 -7.455 1.00 3.31 H new ATOM 0 HH22 ARG A 22 2.961 -15.646 -8.785 1.00 3.31 H new ATOM 41 N LEU A 23 3.672 -10.861 -0.874 1.00 0.51 N ATOM 42 CA LEU A 23 3.783 -9.603 -0.148 1.00 0.43 C ATOM 43 C LEU A 23 3.751 -8.441 -1.135 1.00 0.37 C ATOM 44 O LEU A 23 4.737 -8.161 -1.822 1.00 0.40 O ATOM 45 CB LEU A 23 5.069 -9.565 0.682 1.00 0.58 C ATOM 46 CG LEU A 23 5.212 -10.677 1.725 1.00 1.05 C ATOM 47 CD1 LEU A 23 6.507 -10.514 2.504 1.00 1.76 C ATOM 48 CD2 LEU A 23 4.021 -10.686 2.671 1.00 1.55 C ATOM 0 H LEU A 23 4.516 -11.129 -1.379 1.00 0.51 H new ATOM 0 HA LEU A 23 2.940 -9.516 0.537 1.00 0.43 H new ATOM 0 HB2 LEU A 23 5.921 -9.615 0.003 1.00 0.58 H new ATOM 0 HB3 LEU A 23 5.124 -8.603 1.192 1.00 0.58 H new ATOM 0 HG LEU A 23 5.240 -11.633 1.201 1.00 1.05 H new ATOM 0 HD11 LEU A 23 6.592 -11.313 3.241 1.00 1.76 H new ATOM 0 HD12 LEU A 23 7.353 -10.562 1.818 1.00 1.76 H new ATOM 0 HD13 LEU A 23 6.507 -9.550 3.013 1.00 1.76 H new ATOM 0 HD21 LEU A 23 4.144 -11.484 3.403 1.00 1.55 H new ATOM 0 HD22 LEU A 23 3.958 -9.727 3.186 1.00 1.55 H new ATOM 0 HD23 LEU A 23 3.106 -10.853 2.103 1.00 1.55 H new ATOM 60 N VAL A 24 2.611 -7.775 -1.200 1.00 0.35 N ATOM 61 CA VAL A 24 2.362 -6.770 -2.224 1.00 0.37 C ATOM 62 C VAL A 24 2.189 -5.386 -1.599 1.00 0.38 C ATOM 63 O VAL A 24 1.741 -5.265 -0.459 1.00 0.42 O ATOM 64 CB VAL A 24 1.098 -7.135 -3.036 1.00 0.42 C ATOM 65 CG1 VAL A 24 0.904 -6.193 -4.217 1.00 0.46 C ATOM 66 CG2 VAL A 24 1.169 -8.579 -3.511 1.00 0.45 C ATOM 0 H VAL A 24 1.836 -7.912 -0.551 1.00 0.35 H new ATOM 0 HA VAL A 24 3.224 -6.746 -2.890 1.00 0.37 H new ATOM 0 HB VAL A 24 0.236 -7.025 -2.378 1.00 0.42 H new ATOM 0 HG11 VAL A 24 0.007 -6.478 -4.766 1.00 0.46 H new ATOM 0 HG12 VAL A 24 0.798 -5.171 -3.854 1.00 0.46 H new ATOM 0 HG13 VAL A 24 1.769 -6.255 -4.878 1.00 0.46 H new ATOM 0 HG21 VAL A 24 0.271 -8.819 -4.081 1.00 0.45 H new ATOM 0 HG22 VAL A 24 2.047 -8.711 -4.144 1.00 0.45 H new ATOM 0 HG23 VAL A 24 1.240 -9.242 -2.649 1.00 0.45 H new ATOM 76 N VAL A 25 2.568 -4.349 -2.335 1.00 0.39 N ATOM 77 CA VAL A 25 2.395 -2.979 -1.878 1.00 0.41 C ATOM 78 C VAL A 25 1.836 -2.107 -3.001 1.00 0.39 C ATOM 79 O VAL A 25 2.482 -1.934 -4.028 1.00 0.42 O ATOM 80 CB VAL A 25 3.735 -2.365 -1.405 1.00 0.46 C ATOM 81 CG1 VAL A 25 3.516 -0.969 -0.848 1.00 0.51 C ATOM 82 CG2 VAL A 25 4.415 -3.253 -0.371 1.00 0.52 C ATOM 0 H VAL A 25 2.999 -4.433 -3.256 1.00 0.39 H new ATOM 0 HA VAL A 25 1.698 -3.008 -1.040 1.00 0.41 H new ATOM 0 HB VAL A 25 4.394 -2.294 -2.270 1.00 0.46 H new ATOM 0 HG11 VAL A 25 4.469 -0.554 -0.521 1.00 0.51 H new ATOM 0 HG12 VAL A 25 3.089 -0.331 -1.622 1.00 0.51 H new ATOM 0 HG13 VAL A 25 2.832 -1.018 -0.001 1.00 0.51 H new ATOM 0 HG21 VAL A 25 5.353 -2.795 -0.059 1.00 0.52 H new ATOM 0 HG22 VAL A 25 3.762 -3.370 0.494 1.00 0.52 H new ATOM 0 HG23 VAL A 25 4.617 -4.231 -0.808 1.00 0.52 H new ATOM 92 N LEU A 26 0.639 -1.568 -2.819 1.00 0.40 N ATOM 93 CA LEU A 26 0.110 -0.587 -3.759 1.00 0.38 C ATOM 94 C LEU A 26 0.162 0.786 -3.118 1.00 0.37 C ATOM 95 O LEU A 26 -0.433 1.019 -2.068 1.00 0.48 O ATOM 96 CB LEU A 26 -1.324 -0.904 -4.216 1.00 0.46 C ATOM 97 CG LEU A 26 -1.477 -2.138 -5.112 1.00 0.56 C ATOM 98 CD1 LEU A 26 -1.621 -3.405 -4.287 1.00 1.15 C ATOM 99 CD2 LEU A 26 -2.662 -1.968 -6.042 1.00 1.33 C ATOM 0 H LEU A 26 0.021 -1.789 -2.039 1.00 0.40 H new ATOM 0 HA LEU A 26 0.732 -0.618 -4.654 1.00 0.38 H new ATOM 0 HB2 LEU A 26 -1.946 -1.040 -3.331 1.00 0.46 H new ATOM 0 HB3 LEU A 26 -1.715 -0.038 -4.751 1.00 0.46 H new ATOM 0 HG LEU A 26 -0.572 -2.235 -5.711 1.00 0.56 H new ATOM 0 HD11 LEU A 26 -1.728 -4.262 -4.952 1.00 1.15 H new ATOM 0 HD12 LEU A 26 -0.736 -3.536 -3.665 1.00 1.15 H new ATOM 0 HD13 LEU A 26 -2.503 -3.327 -3.651 1.00 1.15 H new ATOM 0 HD21 LEU A 26 -2.759 -2.852 -6.673 1.00 1.33 H new ATOM 0 HD22 LEU A 26 -3.571 -1.840 -5.454 1.00 1.33 H new ATOM 0 HD23 LEU A 26 -2.509 -1.090 -6.669 1.00 1.33 H new ATOM 111 N ILE A 27 0.889 1.687 -3.743 1.00 0.33 N ATOM 112 CA ILE A 27 1.152 2.984 -3.152 1.00 0.36 C ATOM 113 C ILE A 27 0.488 4.106 -3.953 1.00 0.39 C ATOM 114 O ILE A 27 0.721 4.260 -5.155 1.00 0.40 O ATOM 115 CB ILE A 27 2.680 3.221 -3.024 1.00 0.44 C ATOM 116 CG1 ILE A 27 2.987 4.602 -2.438 1.00 0.93 C ATOM 117 CG2 ILE A 27 3.369 3.045 -4.369 1.00 1.32 C ATOM 118 CD1 ILE A 27 4.458 4.827 -2.159 1.00 1.36 C ATOM 0 H ILE A 27 1.310 1.546 -4.662 1.00 0.33 H new ATOM 0 HA ILE A 27 0.717 2.994 -2.153 1.00 0.36 H new ATOM 0 HB ILE A 27 3.071 2.473 -2.335 1.00 0.44 H new ATOM 0 HG12 ILE A 27 2.635 5.368 -3.130 1.00 0.93 H new ATOM 0 HG13 ILE A 27 2.426 4.728 -1.512 1.00 0.93 H new ATOM 0 HG21 ILE A 27 4.439 3.216 -4.255 1.00 1.32 H new ATOM 0 HG22 ILE A 27 3.200 2.032 -4.734 1.00 1.32 H new ATOM 0 HG23 ILE A 27 2.961 3.761 -5.083 1.00 1.32 H new ATOM 0 HD11 ILE A 27 4.601 5.825 -1.746 1.00 1.36 H new ATOM 0 HD12 ILE A 27 4.810 4.084 -1.444 1.00 1.36 H new ATOM 0 HD13 ILE A 27 5.023 4.734 -3.087 1.00 1.36 H new ATOM 130 N VAL A 28 -0.357 4.876 -3.281 1.00 0.48 N ATOM 131 CA VAL A 28 -0.956 6.060 -3.873 1.00 0.56 C ATOM 132 C VAL A 28 -0.016 7.222 -3.621 1.00 0.86 C ATOM 133 O VAL A 28 0.005 7.796 -2.533 1.00 1.37 O ATOM 134 CB VAL A 28 -2.344 6.367 -3.265 1.00 0.77 C ATOM 135 CG1 VAL A 28 -2.986 7.565 -3.950 1.00 1.12 C ATOM 136 CG2 VAL A 28 -3.252 5.150 -3.353 1.00 1.17 C ATOM 0 H VAL A 28 -0.644 4.698 -2.318 1.00 0.48 H new ATOM 0 HA VAL A 28 -1.105 5.894 -4.940 1.00 0.56 H new ATOM 0 HB VAL A 28 -2.203 6.614 -2.213 1.00 0.77 H new ATOM 0 HG11 VAL A 28 -3.961 7.760 -3.504 1.00 1.12 H new ATOM 0 HG12 VAL A 28 -2.348 8.440 -3.825 1.00 1.12 H new ATOM 0 HG13 VAL A 28 -3.109 7.354 -5.012 1.00 1.12 H new ATOM 0 HG21 VAL A 28 -4.223 5.389 -2.919 1.00 1.17 H new ATOM 0 HG22 VAL A 28 -3.381 4.867 -4.398 1.00 1.17 H new ATOM 0 HG23 VAL A 28 -2.804 4.321 -2.805 1.00 1.17 H new ATOM 146 N SER A 29 0.773 7.547 -4.628 1.00 0.85 N ATOM 147 CA SER A 29 1.945 8.375 -4.430 1.00 1.25 C ATOM 148 C SER A 29 1.772 9.798 -4.940 1.00 0.83 C ATOM 149 O SER A 29 1.143 10.045 -5.970 1.00 1.53 O ATOM 150 CB SER A 29 3.120 7.731 -5.149 1.00 2.38 C ATOM 151 OG SER A 29 3.129 6.330 -4.952 1.00 3.23 O ATOM 0 H SER A 29 0.622 7.249 -5.592 1.00 0.85 H new ATOM 0 HA SER A 29 2.116 8.443 -3.356 1.00 1.25 H new ATOM 0 HB2 SER A 29 3.064 7.952 -6.215 1.00 2.38 H new ATOM 0 HB3 SER A 29 4.053 8.159 -4.784 1.00 2.38 H new ATOM 0 HG SER A 29 3.668 5.905 -5.652 1.00 3.23 H new ATOM 157 N ASN A 30 2.342 10.721 -4.183 1.00 1.19 N ATOM 158 CA ASN A 30 2.558 12.089 -4.623 1.00 1.67 C ATOM 159 C ASN A 30 3.791 12.126 -5.524 1.00 1.19 C ATOM 160 O ASN A 30 4.248 11.071 -5.963 1.00 1.38 O ATOM 161 CB ASN A 30 2.732 13.022 -3.416 1.00 2.93 C ATOM 162 CG ASN A 30 3.985 12.732 -2.606 1.00 3.86 C ATOM 163 OD1 ASN A 30 3.988 11.864 -1.736 1.00 4.32 O ATOM 164 ND2 ASN A 30 5.049 13.481 -2.860 1.00 4.58 N ATOM 0 H ASN A 30 2.671 10.539 -3.235 1.00 1.19 H new ATOM 0 HA ASN A 30 1.691 12.437 -5.184 1.00 1.67 H new ATOM 0 HB2 ASN A 30 2.765 14.054 -3.765 1.00 2.93 H new ATOM 0 HB3 ASN A 30 1.860 12.932 -2.768 1.00 2.93 H new ATOM 0 HD21 ASN A 30 5.907 13.346 -2.325 1.00 4.58 H new ATOM 0 HD22 ASN A 30 5.010 14.192 -3.590 1.00 4.58 H new ATOM 171 N ASP A 31 4.259 13.338 -5.847 1.00 1.45 N ATOM 172 CA ASP A 31 5.477 13.563 -6.655 1.00 1.18 C ATOM 173 C ASP A 31 6.460 12.382 -6.629 1.00 0.94 C ATOM 174 O ASP A 31 6.801 11.854 -5.566 1.00 1.28 O ATOM 175 CB ASP A 31 6.191 14.825 -6.171 1.00 1.61 C ATOM 176 CG ASP A 31 7.486 15.074 -6.912 1.00 1.74 C ATOM 177 OD1 ASP A 31 7.458 15.752 -7.959 1.00 2.03 O ATOM 178 OD2 ASP A 31 8.540 14.591 -6.455 1.00 2.29 O ATOM 0 H ASP A 31 3.803 14.202 -5.555 1.00 1.45 H new ATOM 0 HA ASP A 31 5.145 13.674 -7.687 1.00 1.18 H new ATOM 0 HB2 ASP A 31 5.532 15.684 -6.298 1.00 1.61 H new ATOM 0 HB3 ASP A 31 6.397 14.736 -5.104 1.00 1.61 H new ATOM 183 N LYS A 32 6.951 12.033 -7.817 1.00 0.79 N ATOM 184 CA LYS A 32 7.673 10.780 -8.060 1.00 0.82 C ATOM 185 C LYS A 32 8.931 10.602 -7.205 1.00 0.66 C ATOM 186 O LYS A 32 9.423 9.483 -7.071 1.00 0.68 O ATOM 187 CB LYS A 32 8.041 10.683 -9.541 1.00 1.24 C ATOM 188 CG LYS A 32 6.838 10.765 -10.465 1.00 1.77 C ATOM 189 CD LYS A 32 7.242 10.739 -11.931 1.00 2.22 C ATOM 190 CE LYS A 32 7.824 9.395 -12.335 1.00 3.17 C ATOM 191 NZ LYS A 32 8.102 9.328 -13.794 1.00 3.77 N ATOM 0 H LYS A 32 6.859 12.617 -8.648 1.00 0.79 H new ATOM 0 HA LYS A 32 6.995 9.977 -7.769 1.00 0.82 H new ATOM 0 HB2 LYS A 32 8.736 11.485 -9.789 1.00 1.24 H new ATOM 0 HB3 LYS A 32 8.563 9.743 -9.718 1.00 1.24 H new ATOM 0 HG2 LYS A 32 6.166 9.932 -10.260 1.00 1.77 H new ATOM 0 HG3 LYS A 32 6.284 11.680 -10.258 1.00 1.77 H new ATOM 0 HD2 LYS A 32 6.373 10.959 -12.551 1.00 2.22 H new ATOM 0 HD3 LYS A 32 7.975 11.523 -12.119 1.00 2.22 H new ATOM 0 HE2 LYS A 32 8.746 9.217 -11.781 1.00 3.17 H new ATOM 0 HE3 LYS A 32 7.129 8.601 -12.061 1.00 3.17 H new ATOM 0 HZ1 LYS A 32 8.498 8.396 -14.029 1.00 3.77 H new ATOM 0 HZ2 LYS A 32 7.218 9.472 -14.323 1.00 3.77 H new ATOM 0 HZ3 LYS A 32 8.785 10.069 -14.052 1.00 3.77 H new ATOM 205 N LYS A 33 9.449 11.681 -6.630 1.00 0.71 N ATOM 206 CA LYS A 33 10.650 11.593 -5.796 1.00 0.75 C ATOM 207 C LYS A 33 10.417 10.658 -4.611 1.00 0.68 C ATOM 208 O LYS A 33 11.316 9.921 -4.204 1.00 0.78 O ATOM 209 CB LYS A 33 11.069 12.992 -5.327 1.00 0.95 C ATOM 210 CG LYS A 33 12.300 13.015 -4.430 1.00 1.45 C ATOM 211 CD LYS A 33 11.926 13.019 -2.955 1.00 1.86 C ATOM 212 CE LYS A 33 13.159 12.970 -2.068 1.00 2.71 C ATOM 213 NZ LYS A 33 13.857 11.662 -2.158 1.00 3.23 N ATOM 0 H LYS A 33 9.063 12.621 -6.722 1.00 0.71 H new ATOM 0 HA LYS A 33 11.462 11.175 -6.391 1.00 0.75 H new ATOM 0 HB2 LYS A 33 11.261 13.612 -6.202 1.00 0.95 H new ATOM 0 HB3 LYS A 33 10.236 13.446 -4.791 1.00 0.95 H new ATOM 0 HG2 LYS A 33 12.922 12.146 -4.645 1.00 1.45 H new ATOM 0 HG3 LYS A 33 12.897 13.898 -4.656 1.00 1.45 H new ATOM 0 HD2 LYS A 33 11.348 13.915 -2.727 1.00 1.86 H new ATOM 0 HD3 LYS A 33 11.286 12.163 -2.738 1.00 1.86 H new ATOM 0 HE2 LYS A 33 13.844 13.767 -2.355 1.00 2.71 H new ATOM 0 HE3 LYS A 33 12.869 13.156 -1.034 1.00 2.71 H new ATOM 0 HZ1 LYS A 33 14.720 11.688 -1.578 1.00 3.23 H new ATOM 0 HZ2 LYS A 33 13.229 10.909 -1.811 1.00 3.23 H new ATOM 0 HZ3 LYS A 33 14.112 11.472 -3.148 1.00 3.23 H new ATOM 227 N LEU A 34 9.205 10.679 -4.072 1.00 0.61 N ATOM 228 CA LEU A 34 8.841 9.771 -2.995 1.00 0.64 C ATOM 229 C LEU A 34 8.764 8.341 -3.514 1.00 0.53 C ATOM 230 O LEU A 34 9.244 7.408 -2.868 1.00 0.62 O ATOM 231 CB LEU A 34 7.504 10.189 -2.367 1.00 0.70 C ATOM 232 CG LEU A 34 6.836 9.127 -1.484 1.00 0.82 C ATOM 233 CD1 LEU A 34 6.178 9.768 -0.279 1.00 1.39 C ATOM 234 CD2 LEU A 34 5.802 8.345 -2.280 1.00 1.38 C ATOM 0 H LEU A 34 8.460 11.313 -4.362 1.00 0.61 H new ATOM 0 HA LEU A 34 9.611 9.820 -2.225 1.00 0.64 H new ATOM 0 HB2 LEU A 34 7.667 11.086 -1.769 1.00 0.70 H new ATOM 0 HB3 LEU A 34 6.814 10.460 -3.166 1.00 0.70 H new ATOM 0 HG LEU A 34 7.610 8.442 -1.138 1.00 0.82 H new ATOM 0 HD11 LEU A 34 5.710 8.997 0.333 1.00 1.39 H new ATOM 0 HD12 LEU A 34 6.930 10.293 0.310 1.00 1.39 H new ATOM 0 HD13 LEU A 34 5.419 10.476 -0.612 1.00 1.39 H new ATOM 0 HD21 LEU A 34 5.338 7.596 -1.638 1.00 1.38 H new ATOM 0 HD22 LEU A 34 5.038 9.027 -2.652 1.00 1.38 H new ATOM 0 HD23 LEU A 34 6.288 7.851 -3.121 1.00 1.38 H new ATOM 246 N ILE A 35 8.164 8.187 -4.691 1.00 0.43 N ATOM 247 CA ILE A 35 7.978 6.877 -5.302 1.00 0.43 C ATOM 248 C ILE A 35 9.314 6.169 -5.460 1.00 0.46 C ATOM 249 O ILE A 35 9.437 4.985 -5.156 1.00 0.52 O ATOM 250 CB ILE A 35 7.324 6.987 -6.694 1.00 0.47 C ATOM 251 CG1 ILE A 35 6.053 7.828 -6.624 1.00 0.57 C ATOM 252 CG2 ILE A 35 7.015 5.599 -7.241 1.00 0.61 C ATOM 253 CD1 ILE A 35 5.368 8.012 -7.962 1.00 0.97 C ATOM 0 H ILE A 35 7.796 8.961 -5.244 1.00 0.43 H new ATOM 0 HA ILE A 35 7.323 6.309 -4.641 1.00 0.43 H new ATOM 0 HB ILE A 35 8.024 7.480 -7.369 1.00 0.47 H new ATOM 0 HG12 ILE A 35 5.355 7.358 -5.931 1.00 0.57 H new ATOM 0 HG13 ILE A 35 6.299 8.808 -6.214 1.00 0.57 H new ATOM 0 HG21 ILE A 35 6.553 5.690 -8.224 1.00 0.61 H new ATOM 0 HG22 ILE A 35 7.939 5.027 -7.325 1.00 0.61 H new ATOM 0 HG23 ILE A 35 6.331 5.086 -6.565 1.00 0.61 H new ATOM 0 HD11 ILE A 35 4.473 8.620 -7.832 1.00 0.97 H new ATOM 0 HD12 ILE A 35 6.048 8.510 -8.653 1.00 0.97 H new ATOM 0 HD13 ILE A 35 5.090 7.038 -8.365 1.00 0.97 H new ATOM 265 N GLU A 36 10.308 6.915 -5.929 1.00 0.51 N ATOM 266 CA GLU A 36 11.630 6.367 -6.184 1.00 0.62 C ATOM 267 C GLU A 36 12.201 5.694 -4.945 1.00 0.63 C ATOM 268 O GLU A 36 12.403 4.481 -4.929 1.00 0.64 O ATOM 269 CB GLU A 36 12.586 7.463 -6.654 1.00 0.79 C ATOM 270 CG GLU A 36 12.159 8.142 -7.942 1.00 0.87 C ATOM 271 CD GLU A 36 13.227 9.060 -8.486 1.00 1.64 C ATOM 272 OE1 GLU A 36 14.161 8.556 -9.147 1.00 2.22 O ATOM 273 OE2 GLU A 36 13.150 10.287 -8.259 1.00 2.42 O ATOM 0 H GLU A 36 10.219 7.909 -6.141 1.00 0.51 H new ATOM 0 HA GLU A 36 11.525 5.618 -6.969 1.00 0.62 H new ATOM 0 HB2 GLU A 36 12.674 8.215 -5.870 1.00 0.79 H new ATOM 0 HB3 GLU A 36 13.577 7.031 -6.794 1.00 0.79 H new ATOM 0 HG2 GLU A 36 11.920 7.384 -8.688 1.00 0.87 H new ATOM 0 HG3 GLU A 36 11.248 8.713 -7.764 1.00 0.87 H new ATOM 280 N GLU A 37 12.438 6.477 -3.901 1.00 0.68 N ATOM 281 CA GLU A 37 13.084 5.955 -2.703 1.00 0.77 C ATOM 282 C GLU A 37 12.213 4.913 -1.997 1.00 0.71 C ATOM 283 O GLU A 37 12.734 3.973 -1.395 1.00 0.79 O ATOM 284 CB GLU A 37 13.458 7.089 -1.746 1.00 0.91 C ATOM 285 CG GLU A 37 12.278 7.891 -1.231 1.00 1.41 C ATOM 286 CD GLU A 37 12.713 8.993 -0.293 1.00 1.84 C ATOM 287 OE1 GLU A 37 13.373 8.687 0.721 1.00 2.30 O ATOM 288 OE2 GLU A 37 12.412 10.170 -0.568 1.00 2.53 O ATOM 0 H GLU A 37 12.196 7.467 -3.858 1.00 0.68 H new ATOM 0 HA GLU A 37 14.000 5.456 -3.019 1.00 0.77 H new ATOM 0 HB2 GLU A 37 13.994 6.668 -0.895 1.00 0.91 H new ATOM 0 HB3 GLU A 37 14.146 7.764 -2.254 1.00 0.91 H new ATOM 0 HG2 GLU A 37 11.737 8.323 -2.073 1.00 1.41 H new ATOM 0 HG3 GLU A 37 11.585 7.227 -0.714 1.00 1.41 H new ATOM 295 N ALA A 38 10.894 5.068 -2.072 1.00 0.61 N ATOM 296 CA ALA A 38 9.987 4.090 -1.483 1.00 0.60 C ATOM 297 C ALA A 38 10.062 2.758 -2.225 1.00 0.54 C ATOM 298 O ALA A 38 10.221 1.701 -1.613 1.00 0.59 O ATOM 299 CB ALA A 38 8.558 4.611 -1.481 1.00 0.60 C ATOM 0 H ALA A 38 10.433 5.854 -2.531 1.00 0.61 H new ATOM 0 HA ALA A 38 10.299 3.927 -0.451 1.00 0.60 H new ATOM 0 HB1 ALA A 38 7.899 3.865 -1.037 1.00 0.60 H new ATOM 0 HB2 ALA A 38 8.507 5.532 -0.900 1.00 0.60 H new ATOM 0 HB3 ALA A 38 8.242 4.811 -2.505 1.00 0.60 H new ATOM 305 N ARG A 39 9.973 2.820 -3.548 1.00 0.49 N ATOM 306 CA ARG A 39 9.955 1.618 -4.372 1.00 0.53 C ATOM 307 C ARG A 39 11.295 0.894 -4.308 1.00 0.56 C ATOM 308 O ARG A 39 11.342 -0.335 -4.325 1.00 0.59 O ATOM 309 CB ARG A 39 9.600 1.969 -5.819 1.00 0.60 C ATOM 310 CG ARG A 39 9.386 0.755 -6.706 1.00 0.88 C ATOM 311 CD ARG A 39 8.847 1.155 -8.069 1.00 0.95 C ATOM 312 NE ARG A 39 8.565 -0.008 -8.909 1.00 1.37 N ATOM 313 CZ ARG A 39 7.729 0.003 -9.947 1.00 1.97 C ATOM 314 NH1 ARG A 39 7.097 1.122 -10.288 1.00 2.23 N ATOM 315 NH2 ARG A 39 7.530 -1.104 -10.650 1.00 2.73 N ATOM 0 H ARG A 39 9.912 3.692 -4.074 1.00 0.49 H new ATOM 0 HA ARG A 39 9.191 0.947 -3.980 1.00 0.53 H new ATOM 0 HB2 ARG A 39 8.695 2.576 -5.825 1.00 0.60 H new ATOM 0 HB3 ARG A 39 10.397 2.581 -6.241 1.00 0.60 H new ATOM 0 HG2 ARG A 39 10.328 0.220 -6.828 1.00 0.88 H new ATOM 0 HG3 ARG A 39 8.690 0.068 -6.224 1.00 0.88 H new ATOM 0 HD2 ARG A 39 7.936 1.740 -7.941 1.00 0.95 H new ATOM 0 HD3 ARG A 39 9.570 1.798 -8.571 1.00 0.95 H new ATOM 0 HE ARG A 39 9.038 -0.884 -8.686 1.00 1.37 H new ATOM 0 HH11 ARG A 39 7.251 1.978 -9.754 1.00 2.23 H new ATOM 0 HH12 ARG A 39 6.458 1.125 -11.083 1.00 2.23 H new ATOM 0 HH21 ARG A 39 8.017 -1.964 -10.396 1.00 2.73 H new ATOM 0 HH22 ARG A 39 6.890 -1.096 -11.444 1.00 2.73 H new ATOM 329 N LYS A 40 12.381 1.657 -4.219 1.00 0.59 N ATOM 330 CA LYS A 40 13.713 1.076 -4.076 1.00 0.67 C ATOM 331 C LYS A 40 13.801 0.232 -2.810 1.00 0.65 C ATOM 332 O LYS A 40 14.425 -0.832 -2.803 1.00 0.71 O ATOM 333 CB LYS A 40 14.782 2.169 -4.039 1.00 0.78 C ATOM 334 CG LYS A 40 14.935 2.915 -5.352 1.00 0.83 C ATOM 335 CD LYS A 40 15.956 4.033 -5.241 1.00 1.29 C ATOM 336 CE LYS A 40 16.045 4.832 -6.529 1.00 1.82 C ATOM 337 NZ LYS A 40 17.019 5.947 -6.422 1.00 2.52 N ATOM 0 H LYS A 40 12.365 2.677 -4.243 1.00 0.59 H new ATOM 0 HA LYS A 40 13.891 0.437 -4.941 1.00 0.67 H new ATOM 0 HB2 LYS A 40 14.534 2.882 -3.253 1.00 0.78 H new ATOM 0 HB3 LYS A 40 15.739 1.721 -3.772 1.00 0.78 H new ATOM 0 HG2 LYS A 40 15.239 2.219 -6.134 1.00 0.83 H new ATOM 0 HG3 LYS A 40 13.972 3.329 -5.651 1.00 0.83 H new ATOM 0 HD2 LYS A 40 15.685 4.695 -4.418 1.00 1.29 H new ATOM 0 HD3 LYS A 40 16.933 3.613 -5.003 1.00 1.29 H new ATOM 0 HE2 LYS A 40 16.337 4.172 -7.346 1.00 1.82 H new ATOM 0 HE3 LYS A 40 15.062 5.231 -6.777 1.00 1.82 H new ATOM 0 HZ1 LYS A 40 17.050 6.468 -7.322 1.00 2.52 H new ATOM 0 HZ2 LYS A 40 16.727 6.591 -5.659 1.00 2.52 H new ATOM 0 HZ3 LYS A 40 17.963 5.565 -6.210 1.00 2.52 H new ATOM 351 N MET A 41 13.155 0.699 -1.749 1.00 0.64 N ATOM 352 CA MET A 41 13.169 -0.010 -0.478 1.00 0.68 C ATOM 353 C MET A 41 12.283 -1.247 -0.538 1.00 0.63 C ATOM 354 O MET A 41 12.598 -2.272 0.059 1.00 0.67 O ATOM 355 CB MET A 41 12.727 0.906 0.664 1.00 0.82 C ATOM 356 CG MET A 41 13.708 2.031 0.946 1.00 0.99 C ATOM 357 SD MET A 41 15.371 1.426 1.303 1.00 1.64 S ATOM 358 CE MET A 41 16.230 2.966 1.615 1.00 2.61 C ATOM 0 H MET A 41 12.616 1.565 -1.744 1.00 0.64 H new ATOM 0 HA MET A 41 14.193 -0.329 -0.285 1.00 0.68 H new ATOM 0 HB2 MET A 41 11.754 1.334 0.422 1.00 0.82 H new ATOM 0 HB3 MET A 41 12.597 0.311 1.568 1.00 0.82 H new ATOM 0 HG2 MET A 41 13.745 2.700 0.086 1.00 0.99 H new ATOM 0 HG3 MET A 41 13.349 2.618 1.791 1.00 0.99 H new ATOM 0 HE1 MET A 41 17.274 2.759 1.851 1.00 2.61 H new ATOM 0 HE2 MET A 41 16.177 3.598 0.729 1.00 2.61 H new ATOM 0 HE3 MET A 41 15.763 3.479 2.455 1.00 2.61 H new ATOM 368 N ALA A 42 11.181 -1.151 -1.270 1.00 0.60 N ATOM 369 CA ALA A 42 10.298 -2.294 -1.467 1.00 0.64 C ATOM 370 C ALA A 42 10.991 -3.356 -2.308 1.00 0.61 C ATOM 371 O ALA A 42 10.858 -4.555 -2.062 1.00 0.66 O ATOM 372 CB ALA A 42 9.000 -1.859 -2.122 1.00 0.75 C ATOM 0 H ALA A 42 10.877 -0.296 -1.736 1.00 0.60 H new ATOM 0 HA ALA A 42 10.062 -2.722 -0.493 1.00 0.64 H new ATOM 0 HB1 ALA A 42 8.354 -2.726 -2.261 1.00 0.75 H new ATOM 0 HB2 ALA A 42 8.498 -1.130 -1.486 1.00 0.75 H new ATOM 0 HB3 ALA A 42 9.215 -1.408 -3.091 1.00 0.75 H new ATOM 378 N GLU A 43 11.737 -2.897 -3.300 1.00 0.62 N ATOM 379 CA GLU A 43 12.545 -3.771 -4.133 1.00 0.75 C ATOM 380 C GLU A 43 13.633 -4.433 -3.291 1.00 0.71 C ATOM 381 O GLU A 43 13.943 -5.614 -3.461 1.00 0.79 O ATOM 382 CB GLU A 43 13.164 -2.954 -5.268 1.00 0.93 C ATOM 383 CG GLU A 43 13.969 -3.769 -6.263 1.00 1.33 C ATOM 384 CD GLU A 43 14.637 -2.892 -7.296 1.00 1.88 C ATOM 385 OE1 GLU A 43 14.024 -2.634 -8.352 1.00 2.39 O ATOM 386 OE2 GLU A 43 15.774 -2.442 -7.049 1.00 2.57 O ATOM 0 H GLU A 43 11.799 -1.910 -3.550 1.00 0.62 H new ATOM 0 HA GLU A 43 11.919 -4.554 -4.560 1.00 0.75 H new ATOM 0 HB2 GLU A 43 12.368 -2.436 -5.802 1.00 0.93 H new ATOM 0 HB3 GLU A 43 13.810 -2.189 -4.838 1.00 0.93 H new ATOM 0 HG2 GLU A 43 14.726 -4.346 -5.732 1.00 1.33 H new ATOM 0 HG3 GLU A 43 13.314 -4.484 -6.762 1.00 1.33 H new ATOM 393 N LYS A 44 14.187 -3.663 -2.359 1.00 0.68 N ATOM 394 CA LYS A 44 15.233 -4.150 -1.466 1.00 0.77 C ATOM 395 C LYS A 44 14.654 -5.135 -0.451 1.00 0.69 C ATOM 396 O LYS A 44 15.370 -5.965 0.110 1.00 0.80 O ATOM 397 CB LYS A 44 15.876 -2.970 -0.731 1.00 0.92 C ATOM 398 CG LYS A 44 17.222 -3.289 -0.095 1.00 1.42 C ATOM 399 CD LYS A 44 18.315 -3.464 -1.142 1.00 1.99 C ATOM 400 CE LYS A 44 18.539 -2.183 -1.935 1.00 2.49 C ATOM 401 NZ LYS A 44 19.654 -2.309 -2.910 1.00 2.98 N ATOM 0 H LYS A 44 13.925 -2.690 -2.202 1.00 0.68 H new ATOM 0 HA LYS A 44 15.988 -4.664 -2.061 1.00 0.77 H new ATOM 0 HB2 LYS A 44 16.005 -2.146 -1.433 1.00 0.92 H new ATOM 0 HB3 LYS A 44 15.193 -2.624 0.045 1.00 0.92 H new ATOM 0 HG2 LYS A 44 17.500 -2.488 0.590 1.00 1.42 H new ATOM 0 HG3 LYS A 44 17.137 -4.200 0.498 1.00 1.42 H new ATOM 0 HD2 LYS A 44 19.244 -3.758 -0.654 1.00 1.99 H new ATOM 0 HD3 LYS A 44 18.043 -4.271 -1.822 1.00 1.99 H new ATOM 0 HE2 LYS A 44 17.623 -1.922 -2.466 1.00 2.49 H new ATOM 0 HE3 LYS A 44 18.752 -1.365 -1.247 1.00 2.49 H new ATOM 0 HZ1 LYS A 44 19.768 -1.413 -3.425 1.00 2.98 H new ATOM 0 HZ2 LYS A 44 20.535 -2.531 -2.403 1.00 2.98 H new ATOM 0 HZ3 LYS A 44 19.441 -3.071 -3.585 1.00 2.98 H new ATOM 415 N ALA A 45 13.354 -5.029 -0.220 1.00 0.61 N ATOM 416 CA ALA A 45 12.672 -5.885 0.740 1.00 0.64 C ATOM 417 C ALA A 45 12.043 -7.094 0.056 1.00 0.60 C ATOM 418 O ALA A 45 11.289 -7.845 0.674 1.00 0.71 O ATOM 419 CB ALA A 45 11.615 -5.088 1.488 1.00 0.76 C ATOM 0 H ALA A 45 12.747 -4.355 -0.687 1.00 0.61 H new ATOM 0 HA ALA A 45 13.411 -6.254 1.452 1.00 0.64 H new ATOM 0 HB1 ALA A 45 11.110 -5.736 2.204 1.00 0.76 H new ATOM 0 HB2 ALA A 45 12.089 -4.262 2.018 1.00 0.76 H new ATOM 0 HB3 ALA A 45 10.887 -4.694 0.779 1.00 0.76 H new ATOM 425 N ASN A 46 12.363 -7.266 -1.227 1.00 0.56 N ATOM 426 CA ASN A 46 11.869 -8.395 -2.020 1.00 0.65 C ATOM 427 C ASN A 46 10.339 -8.399 -2.064 1.00 0.62 C ATOM 428 O ASN A 46 9.695 -9.448 -1.995 1.00 0.80 O ATOM 429 CB ASN A 46 12.404 -9.725 -1.461 1.00 0.83 C ATOM 430 CG ASN A 46 12.164 -10.900 -2.392 1.00 1.46 C ATOM 431 OD1 ASN A 46 12.102 -10.742 -3.611 1.00 2.11 O ATOM 432 ND2 ASN A 46 12.031 -12.089 -1.823 1.00 2.22 N ATOM 0 H ASN A 46 12.969 -6.630 -1.745 1.00 0.56 H new ATOM 0 HA ASN A 46 12.236 -8.282 -3.040 1.00 0.65 H new ATOM 0 HB2 ASN A 46 13.474 -9.630 -1.274 1.00 0.83 H new ATOM 0 HB3 ASN A 46 11.929 -9.926 -0.501 1.00 0.83 H new ATOM 0 HD21 ASN A 46 11.871 -12.915 -2.399 1.00 2.22 H new ATOM 0 HD22 ASN A 46 12.089 -12.178 -0.809 1.00 2.22 H new ATOM 439 N LEU A 47 9.763 -7.212 -2.170 1.00 0.48 N ATOM 440 CA LEU A 47 8.318 -7.064 -2.233 1.00 0.48 C ATOM 441 C LEU A 47 7.875 -6.804 -3.664 1.00 0.45 C ATOM 442 O LEU A 47 8.700 -6.540 -4.545 1.00 0.53 O ATOM 443 CB LEU A 47 7.859 -5.905 -1.345 1.00 0.51 C ATOM 444 CG LEU A 47 8.269 -5.992 0.126 1.00 0.58 C ATOM 445 CD1 LEU A 47 7.785 -4.764 0.879 1.00 1.10 C ATOM 446 CD2 LEU A 47 7.720 -7.259 0.766 1.00 1.11 C ATOM 0 H LEU A 47 10.278 -6.333 -2.214 1.00 0.48 H new ATOM 0 HA LEU A 47 7.867 -7.990 -1.877 1.00 0.48 H new ATOM 0 HB2 LEU A 47 8.253 -4.977 -1.758 1.00 0.51 H new ATOM 0 HB3 LEU A 47 6.772 -5.841 -1.397 1.00 0.51 H new ATOM 0 HG LEU A 47 9.357 -6.029 0.178 1.00 0.58 H new ATOM 0 HD11 LEU A 47 8.083 -4.838 1.925 1.00 1.10 H new ATOM 0 HD12 LEU A 47 8.226 -3.870 0.438 1.00 1.10 H new ATOM 0 HD13 LEU A 47 6.699 -4.702 0.815 1.00 1.10 H new ATOM 0 HD21 LEU A 47 8.024 -7.300 1.812 1.00 1.11 H new ATOM 0 HD22 LEU A 47 6.632 -7.256 0.704 1.00 1.11 H new ATOM 0 HD23 LEU A 47 8.110 -8.131 0.241 1.00 1.11 H new ATOM 458 N GLU A 48 6.577 -6.895 -3.894 1.00 0.43 N ATOM 459 CA GLU A 48 6.001 -6.540 -5.177 1.00 0.47 C ATOM 460 C GLU A 48 5.211 -5.246 -5.027 1.00 0.45 C ATOM 461 O GLU A 48 4.094 -5.249 -4.509 1.00 0.49 O ATOM 462 CB GLU A 48 5.099 -7.665 -5.689 1.00 0.58 C ATOM 463 CG GLU A 48 4.504 -7.390 -7.059 1.00 0.80 C ATOM 464 CD GLU A 48 5.563 -7.200 -8.126 1.00 1.27 C ATOM 465 OE1 GLU A 48 5.982 -6.048 -8.356 1.00 2.13 O ATOM 466 OE2 GLU A 48 5.980 -8.203 -8.739 1.00 1.74 O ATOM 0 H GLU A 48 5.898 -7.214 -3.203 1.00 0.43 H new ATOM 0 HA GLU A 48 6.799 -6.393 -5.905 1.00 0.47 H new ATOM 0 HB2 GLU A 48 5.674 -8.590 -5.731 1.00 0.58 H new ATOM 0 HB3 GLU A 48 4.290 -7.824 -4.976 1.00 0.58 H new ATOM 0 HG2 GLU A 48 3.853 -8.218 -7.341 1.00 0.80 H new ATOM 0 HG3 GLU A 48 3.881 -6.497 -7.008 1.00 0.80 H new ATOM 473 N LEU A 49 5.800 -4.143 -5.452 1.00 0.46 N ATOM 474 CA LEU A 49 5.170 -2.848 -5.279 1.00 0.50 C ATOM 475 C LEU A 49 4.602 -2.345 -6.598 1.00 0.45 C ATOM 476 O LEU A 49 5.289 -2.307 -7.619 1.00 0.54 O ATOM 477 CB LEU A 49 6.159 -1.841 -4.683 1.00 0.67 C ATOM 478 CG LEU A 49 5.560 -0.483 -4.298 1.00 0.75 C ATOM 479 CD1 LEU A 49 6.214 0.050 -3.035 1.00 1.49 C ATOM 480 CD2 LEU A 49 5.727 0.517 -5.428 1.00 0.99 C ATOM 0 H LEU A 49 6.708 -4.118 -5.916 1.00 0.46 H new ATOM 0 HA LEU A 49 4.342 -2.959 -4.579 1.00 0.50 H new ATOM 0 HB2 LEU A 49 6.613 -2.284 -3.796 1.00 0.67 H new ATOM 0 HB3 LEU A 49 6.961 -1.675 -5.402 1.00 0.67 H new ATOM 0 HG LEU A 49 4.496 -0.625 -4.111 1.00 0.75 H new ATOM 0 HD11 LEU A 49 5.776 1.014 -2.778 1.00 1.49 H new ATOM 0 HD12 LEU A 49 6.052 -0.652 -2.217 1.00 1.49 H new ATOM 0 HD13 LEU A 49 7.284 0.171 -3.203 1.00 1.49 H new ATOM 0 HD21 LEU A 49 5.295 1.474 -5.134 1.00 0.99 H new ATOM 0 HD22 LEU A 49 6.787 0.648 -5.644 1.00 0.99 H new ATOM 0 HD23 LEU A 49 5.219 0.148 -6.319 1.00 0.99 H new ATOM 492 N ILE A 50 3.339 -1.964 -6.555 1.00 0.39 N ATOM 493 CA ILE A 50 2.628 -1.475 -7.719 1.00 0.43 C ATOM 494 C ILE A 50 2.202 -0.027 -7.502 1.00 0.40 C ATOM 495 O ILE A 50 1.619 0.316 -6.472 1.00 0.37 O ATOM 496 CB ILE A 50 1.393 -2.352 -8.013 1.00 0.50 C ATOM 497 CG1 ILE A 50 1.835 -3.755 -8.440 1.00 0.60 C ATOM 498 CG2 ILE A 50 0.514 -1.712 -9.077 1.00 0.62 C ATOM 499 CD1 ILE A 50 0.688 -4.712 -8.669 1.00 1.31 C ATOM 0 H ILE A 50 2.775 -1.986 -5.705 1.00 0.39 H new ATOM 0 HA ILE A 50 3.298 -1.525 -8.578 1.00 0.43 H new ATOM 0 HB ILE A 50 0.801 -2.437 -7.101 1.00 0.50 H new ATOM 0 HG12 ILE A 50 2.421 -3.678 -9.356 1.00 0.60 H new ATOM 0 HG13 ILE A 50 2.493 -4.167 -7.675 1.00 0.60 H new ATOM 0 HG21 ILE A 50 -0.350 -2.349 -9.267 1.00 0.62 H new ATOM 0 HG22 ILE A 50 0.176 -0.736 -8.730 1.00 0.62 H new ATOM 0 HG23 ILE A 50 1.086 -1.592 -9.997 1.00 0.62 H new ATOM 0 HD11 ILE A 50 1.080 -5.684 -8.969 1.00 1.31 H new ATOM 0 HD12 ILE A 50 0.115 -4.820 -7.748 1.00 1.31 H new ATOM 0 HD13 ILE A 50 0.041 -4.323 -9.456 1.00 1.31 H new ATOM 511 N THR A 51 2.503 0.820 -8.470 1.00 0.48 N ATOM 512 CA THR A 51 2.209 2.235 -8.359 1.00 0.52 C ATOM 513 C THR A 51 0.964 2.609 -9.159 1.00 0.56 C ATOM 514 O THR A 51 1.034 2.786 -10.376 1.00 0.66 O ATOM 515 CB THR A 51 3.402 3.071 -8.855 1.00 0.63 C ATOM 516 OG1 THR A 51 3.838 2.584 -10.134 1.00 1.19 O ATOM 517 CG2 THR A 51 4.559 3.010 -7.873 1.00 1.20 C ATOM 0 H THR A 51 2.953 0.550 -9.345 1.00 0.48 H new ATOM 0 HA THR A 51 2.024 2.449 -7.306 1.00 0.52 H new ATOM 0 HB THR A 51 3.076 4.107 -8.943 1.00 0.63 H new ATOM 0 HG1 THR A 51 3.061 2.459 -10.719 1.00 1.19 H new ATOM 0 HG21 THR A 51 5.388 3.610 -8.249 1.00 1.20 H new ATOM 0 HG22 THR A 51 4.238 3.401 -6.907 1.00 1.20 H new ATOM 0 HG23 THR A 51 4.883 1.976 -7.756 1.00 1.20 H new ATOM 525 N VAL A 52 -0.175 2.723 -8.483 1.00 0.68 N ATOM 526 CA VAL A 52 -1.397 3.182 -9.135 1.00 0.78 C ATOM 527 C VAL A 52 -2.105 4.222 -8.265 1.00 0.85 C ATOM 528 O VAL A 52 -3.006 3.894 -7.493 1.00 1.66 O ATOM 529 CB VAL A 52 -2.366 1.995 -9.393 1.00 1.35 C ATOM 530 CG1 VAL A 52 -3.671 2.467 -10.013 1.00 1.77 C ATOM 531 CG2 VAL A 52 -1.716 0.943 -10.278 1.00 1.95 C ATOM 0 H VAL A 52 -0.278 2.506 -7.492 1.00 0.68 H new ATOM 0 HA VAL A 52 -1.117 3.629 -10.089 1.00 0.78 H new ATOM 0 HB VAL A 52 -2.592 1.546 -8.426 1.00 1.35 H new ATOM 0 HG11 VAL A 52 -4.325 1.611 -10.180 1.00 1.77 H new ATOM 0 HG12 VAL A 52 -4.160 3.171 -9.340 1.00 1.77 H new ATOM 0 HG13 VAL A 52 -3.465 2.957 -10.964 1.00 1.77 H new ATOM 0 HG21 VAL A 52 -2.416 0.123 -10.443 1.00 1.95 H new ATOM 0 HG22 VAL A 52 -1.447 1.389 -11.236 1.00 1.95 H new ATOM 0 HG23 VAL A 52 -0.819 0.562 -9.791 1.00 1.95 H new ATOM 541 N PRO A 53 -1.671 5.489 -8.331 1.00 0.73 N ATOM 542 CA PRO A 53 -2.396 6.586 -7.718 1.00 0.90 C ATOM 543 C PRO A 53 -3.411 7.247 -8.652 1.00 0.88 C ATOM 544 O PRO A 53 -3.028 8.029 -9.525 1.00 1.64 O ATOM 545 CB PRO A 53 -1.274 7.562 -7.378 1.00 1.83 C ATOM 546 CG PRO A 53 -0.224 7.335 -8.422 1.00 2.29 C ATOM 547 CD PRO A 53 -0.439 5.949 -8.987 1.00 1.49 C ATOM 0 HA PRO A 53 -2.995 6.255 -6.869 1.00 0.90 H new ATOM 0 HB2 PRO A 53 -1.630 8.592 -7.395 1.00 1.83 H new ATOM 0 HB3 PRO A 53 -0.881 7.377 -6.378 1.00 1.83 H new ATOM 0 HG2 PRO A 53 -0.297 8.086 -9.209 1.00 2.29 H new ATOM 0 HG3 PRO A 53 0.773 7.423 -7.989 1.00 2.29 H new ATOM 0 HD2 PRO A 53 -0.548 5.972 -10.071 1.00 1.49 H new ATOM 0 HD3 PRO A 53 0.402 5.292 -8.765 1.00 1.49 H new ATOM 555 N GLY A 54 -4.689 6.950 -8.497 1.00 1.49 N ATOM 556 CA GLY A 54 -5.692 7.858 -9.013 1.00 2.14 C ATOM 557 C GLY A 54 -6.703 8.216 -7.950 1.00 1.80 C ATOM 558 O GLY A 54 -6.967 9.388 -7.683 1.00 2.08 O ATOM 0 H GLY A 54 -5.047 6.115 -8.033 1.00 1.49 H new ATOM 0 HA2 GLY A 54 -5.211 8.764 -9.381 1.00 2.14 H new ATOM 0 HA3 GLY A 54 -6.200 7.399 -9.862 1.00 2.14 H new ATOM 562 N SER A 55 -7.253 7.187 -7.329 1.00 1.36 N ATOM 563 CA SER A 55 -8.059 7.330 -6.132 1.00 0.97 C ATOM 564 C SER A 55 -7.417 6.551 -4.987 1.00 0.64 C ATOM 565 O SER A 55 -6.575 5.685 -5.235 1.00 0.50 O ATOM 566 CB SER A 55 -9.483 6.842 -6.389 1.00 1.19 C ATOM 567 OG SER A 55 -10.072 7.532 -7.479 1.00 1.75 O ATOM 0 H SER A 55 -7.151 6.222 -7.645 1.00 1.36 H new ATOM 0 HA SER A 55 -8.109 8.383 -5.856 1.00 0.97 H new ATOM 0 HB2 SER A 55 -9.472 5.772 -6.596 1.00 1.19 H new ATOM 0 HB3 SER A 55 -10.087 6.987 -5.494 1.00 1.19 H new ATOM 0 HG SER A 55 -10.982 7.199 -7.623 1.00 1.75 H new ATOM 573 N PRO A 56 -7.795 6.818 -3.732 1.00 0.66 N ATOM 574 CA PRO A 56 -7.397 5.958 -2.617 1.00 0.58 C ATOM 575 C PRO A 56 -8.035 4.577 -2.746 1.00 0.53 C ATOM 576 O PRO A 56 -7.361 3.551 -2.651 1.00 0.62 O ATOM 577 CB PRO A 56 -7.929 6.691 -1.380 1.00 0.70 C ATOM 578 CG PRO A 56 -9.006 7.585 -1.893 1.00 1.09 C ATOM 579 CD PRO A 56 -8.596 7.971 -3.289 1.00 0.87 C ATOM 0 HA PRO A 56 -6.321 5.791 -2.576 1.00 0.58 H new ATOM 0 HB2 PRO A 56 -8.317 5.989 -0.642 1.00 0.70 H new ATOM 0 HB3 PRO A 56 -7.141 7.263 -0.891 1.00 0.70 H new ATOM 0 HG2 PRO A 56 -9.969 7.074 -1.897 1.00 1.09 H new ATOM 0 HG3 PRO A 56 -9.115 8.466 -1.261 1.00 1.09 H new ATOM 0 HD2 PRO A 56 -9.460 8.133 -3.933 1.00 0.87 H new ATOM 0 HD3 PRO A 56 -8.015 8.893 -3.298 1.00 0.87 H new ATOM 587 N GLU A 57 -9.342 4.575 -3.010 1.00 0.62 N ATOM 588 CA GLU A 57 -10.116 3.349 -3.181 1.00 0.80 C ATOM 589 C GLU A 57 -9.563 2.502 -4.324 1.00 0.67 C ATOM 590 O GLU A 57 -9.549 1.277 -4.249 1.00 0.67 O ATOM 591 CB GLU A 57 -11.574 3.713 -3.474 1.00 1.14 C ATOM 592 CG GLU A 57 -12.497 2.518 -3.636 1.00 1.80 C ATOM 593 CD GLU A 57 -13.854 2.911 -4.179 1.00 1.95 C ATOM 594 OE1 GLU A 57 -14.045 2.847 -5.412 1.00 2.06 O ATOM 595 OE2 GLU A 57 -14.737 3.296 -3.384 1.00 2.70 O ATOM 0 H GLU A 57 -9.894 5.427 -3.111 1.00 0.62 H new ATOM 0 HA GLU A 57 -10.049 2.766 -2.263 1.00 0.80 H new ATOM 0 HB2 GLU A 57 -11.949 4.340 -2.665 1.00 1.14 H new ATOM 0 HB3 GLU A 57 -11.611 4.312 -4.384 1.00 1.14 H new ATOM 0 HG2 GLU A 57 -12.035 1.793 -4.307 1.00 1.80 H new ATOM 0 HG3 GLU A 57 -12.623 2.025 -2.672 1.00 1.80 H new ATOM 602 N GLU A 58 -9.098 3.174 -5.369 1.00 0.61 N ATOM 603 CA GLU A 58 -8.630 2.515 -6.584 1.00 0.56 C ATOM 604 C GLU A 58 -7.520 1.507 -6.285 1.00 0.50 C ATOM 605 O GLU A 58 -7.646 0.323 -6.604 1.00 0.54 O ATOM 606 CB GLU A 58 -8.145 3.576 -7.571 1.00 0.62 C ATOM 607 CG GLU A 58 -7.657 3.029 -8.896 1.00 1.18 C ATOM 608 CD GLU A 58 -7.299 4.139 -9.857 1.00 1.57 C ATOM 609 OE1 GLU A 58 -6.214 4.731 -9.705 1.00 2.30 O ATOM 610 OE2 GLU A 58 -8.116 4.443 -10.752 1.00 2.01 O ATOM 0 H GLU A 58 -9.034 4.192 -5.399 1.00 0.61 H new ATOM 0 HA GLU A 58 -9.458 1.958 -7.022 1.00 0.56 H new ATOM 0 HB2 GLU A 58 -8.958 4.277 -7.760 1.00 0.62 H new ATOM 0 HB3 GLU A 58 -7.337 4.143 -7.107 1.00 0.62 H new ATOM 0 HG2 GLU A 58 -6.786 2.395 -8.730 1.00 1.18 H new ATOM 0 HG3 GLU A 58 -8.430 2.400 -9.337 1.00 1.18 H new ATOM 617 N ALA A 59 -6.446 1.979 -5.662 1.00 0.52 N ATOM 618 CA ALA A 59 -5.328 1.119 -5.299 1.00 0.59 C ATOM 619 C ALA A 59 -5.770 -0.003 -4.362 1.00 0.50 C ATOM 620 O ALA A 59 -5.321 -1.140 -4.490 1.00 0.50 O ATOM 621 CB ALA A 59 -4.220 1.938 -4.657 1.00 0.78 C ATOM 0 H ALA A 59 -6.327 2.957 -5.397 1.00 0.52 H new ATOM 0 HA ALA A 59 -4.947 0.661 -6.212 1.00 0.59 H new ATOM 0 HB1 ALA A 59 -3.391 1.283 -4.391 1.00 0.78 H new ATOM 0 HB2 ALA A 59 -3.873 2.695 -5.360 1.00 0.78 H new ATOM 0 HB3 ALA A 59 -4.601 2.425 -3.759 1.00 0.78 H new ATOM 627 N ILE A 60 -6.663 0.314 -3.430 1.00 0.51 N ATOM 628 CA ILE A 60 -7.141 -0.673 -2.466 1.00 0.52 C ATOM 629 C ILE A 60 -7.980 -1.746 -3.154 1.00 0.50 C ATOM 630 O ILE A 60 -7.943 -2.916 -2.777 1.00 0.52 O ATOM 631 CB ILE A 60 -7.972 -0.020 -1.343 1.00 0.63 C ATOM 632 CG1 ILE A 60 -7.191 1.126 -0.702 1.00 0.79 C ATOM 633 CG2 ILE A 60 -8.342 -1.058 -0.291 1.00 0.74 C ATOM 634 CD1 ILE A 60 -7.999 1.928 0.291 1.00 1.03 C ATOM 0 H ILE A 60 -7.070 1.243 -3.321 1.00 0.51 H new ATOM 0 HA ILE A 60 -6.258 -1.133 -2.022 1.00 0.52 H new ATOM 0 HB ILE A 60 -8.888 0.382 -1.776 1.00 0.63 H new ATOM 0 HG12 ILE A 60 -6.313 0.720 -0.200 1.00 0.79 H new ATOM 0 HG13 ILE A 60 -6.830 1.792 -1.486 1.00 0.79 H new ATOM 0 HG21 ILE A 60 -8.929 -0.585 0.497 1.00 0.74 H new ATOM 0 HG22 ILE A 60 -8.929 -1.852 -0.754 1.00 0.74 H new ATOM 0 HG23 ILE A 60 -7.434 -1.481 0.138 1.00 0.74 H new ATOM 0 HD11 ILE A 60 -7.380 2.724 0.705 1.00 1.03 H new ATOM 0 HD12 ILE A 60 -8.863 2.364 -0.211 1.00 1.03 H new ATOM 0 HD13 ILE A 60 -8.338 1.276 1.096 1.00 1.03 H new ATOM 646 N ARG A 61 -8.732 -1.343 -4.169 1.00 0.51 N ATOM 647 CA ARG A 61 -9.533 -2.280 -4.943 1.00 0.57 C ATOM 648 C ARG A 61 -8.650 -3.313 -5.620 1.00 0.55 C ATOM 649 O ARG A 61 -8.907 -4.515 -5.530 1.00 0.67 O ATOM 650 CB ARG A 61 -10.368 -1.544 -5.985 1.00 0.63 C ATOM 651 CG ARG A 61 -11.619 -0.908 -5.414 1.00 0.68 C ATOM 652 CD ARG A 61 -12.403 -0.171 -6.485 1.00 0.85 C ATOM 653 NE ARG A 61 -12.840 -1.058 -7.564 1.00 1.75 N ATOM 654 CZ ARG A 61 -13.415 -0.632 -8.688 1.00 2.33 C ATOM 655 NH1 ARG A 61 -13.599 0.666 -8.891 1.00 2.28 N ATOM 656 NH2 ARG A 61 -13.801 -1.502 -9.612 1.00 3.35 N ATOM 0 H ARG A 61 -8.804 -0.373 -4.475 1.00 0.51 H new ATOM 0 HA ARG A 61 -10.205 -2.793 -4.255 1.00 0.57 H new ATOM 0 HB2 ARG A 61 -9.756 -0.771 -6.450 1.00 0.63 H new ATOM 0 HB3 ARG A 61 -10.651 -2.243 -6.772 1.00 0.63 H new ATOM 0 HG2 ARG A 61 -12.248 -1.677 -4.965 1.00 0.68 H new ATOM 0 HG3 ARG A 61 -11.346 -0.215 -4.618 1.00 0.68 H new ATOM 0 HD2 ARG A 61 -13.274 0.303 -6.033 1.00 0.85 H new ATOM 0 HD3 ARG A 61 -11.786 0.626 -6.900 1.00 0.85 H new ATOM 0 HE ARG A 61 -12.696 -2.061 -7.449 1.00 1.75 H new ATOM 0 HH11 ARG A 61 -13.300 1.340 -8.186 1.00 2.28 H new ATOM 0 HH12 ARG A 61 -14.039 0.990 -9.752 1.00 2.28 H new ATOM 0 HH21 ARG A 61 -13.658 -2.501 -9.463 1.00 3.35 H new ATOM 0 HH22 ARG A 61 -14.241 -1.172 -10.471 1.00 3.35 H new ATOM 670 N LEU A 62 -7.599 -2.846 -6.282 1.00 0.47 N ATOM 671 CA LEU A 62 -6.661 -3.746 -6.934 1.00 0.50 C ATOM 672 C LEU A 62 -5.908 -4.560 -5.887 1.00 0.43 C ATOM 673 O LEU A 62 -5.568 -5.719 -6.115 1.00 0.45 O ATOM 674 CB LEU A 62 -5.683 -2.967 -7.818 1.00 0.59 C ATOM 675 CG LEU A 62 -4.728 -3.828 -8.649 1.00 0.69 C ATOM 676 CD1 LEU A 62 -5.503 -4.748 -9.580 1.00 1.22 C ATOM 677 CD2 LEU A 62 -3.776 -2.951 -9.445 1.00 1.03 C ATOM 0 H LEU A 62 -7.377 -1.855 -6.380 1.00 0.47 H new ATOM 0 HA LEU A 62 -7.221 -4.428 -7.574 1.00 0.50 H new ATOM 0 HB2 LEU A 62 -6.256 -2.332 -8.494 1.00 0.59 H new ATOM 0 HB3 LEU A 62 -5.092 -2.306 -7.184 1.00 0.59 H new ATOM 0 HG LEU A 62 -4.144 -4.444 -7.965 1.00 0.69 H new ATOM 0 HD11 LEU A 62 -4.804 -5.350 -10.161 1.00 1.22 H new ATOM 0 HD12 LEU A 62 -6.146 -5.403 -8.992 1.00 1.22 H new ATOM 0 HD13 LEU A 62 -6.115 -4.150 -10.255 1.00 1.22 H new ATOM 0 HD21 LEU A 62 -3.105 -3.580 -10.030 1.00 1.03 H new ATOM 0 HD22 LEU A 62 -4.347 -2.309 -10.115 1.00 1.03 H new ATOM 0 HD23 LEU A 62 -3.192 -2.334 -8.762 1.00 1.03 H new ATOM 689 N ALA A 63 -5.664 -3.947 -4.733 1.00 0.41 N ATOM 690 CA ALA A 63 -5.049 -4.641 -3.608 1.00 0.42 C ATOM 691 C ALA A 63 -5.898 -5.838 -3.193 1.00 0.46 C ATOM 692 O ALA A 63 -5.380 -6.934 -2.968 1.00 0.49 O ATOM 693 CB ALA A 63 -4.865 -3.689 -2.433 1.00 0.49 C ATOM 0 H ALA A 63 -5.884 -2.967 -4.553 1.00 0.41 H new ATOM 0 HA ALA A 63 -4.069 -5.002 -3.919 1.00 0.42 H new ATOM 0 HB1 ALA A 63 -4.405 -4.222 -1.601 1.00 0.49 H new ATOM 0 HB2 ALA A 63 -4.223 -2.861 -2.733 1.00 0.49 H new ATOM 0 HB3 ALA A 63 -5.836 -3.302 -2.123 1.00 0.49 H new ATOM 699 N GLN A 64 -7.206 -5.616 -3.108 1.00 0.52 N ATOM 700 CA GLN A 64 -8.149 -6.676 -2.781 1.00 0.64 C ATOM 701 C GLN A 64 -8.136 -7.754 -3.861 1.00 0.62 C ATOM 702 O GLN A 64 -8.152 -8.944 -3.559 1.00 0.69 O ATOM 703 CB GLN A 64 -9.562 -6.105 -2.620 1.00 0.77 C ATOM 704 CG GLN A 64 -10.615 -7.169 -2.359 1.00 1.11 C ATOM 705 CD GLN A 64 -12.004 -6.595 -2.167 1.00 1.39 C ATOM 706 OE1 GLN A 64 -12.170 -5.478 -1.679 1.00 1.95 O ATOM 707 NE2 GLN A 64 -13.011 -7.355 -2.560 1.00 2.12 N ATOM 0 H GLN A 64 -7.637 -4.705 -3.262 1.00 0.52 H new ATOM 0 HA GLN A 64 -7.845 -7.126 -1.836 1.00 0.64 H new ATOM 0 HB2 GLN A 64 -9.566 -5.391 -1.797 1.00 0.77 H new ATOM 0 HB3 GLN A 64 -9.828 -5.554 -3.522 1.00 0.77 H new ATOM 0 HG2 GLN A 64 -10.630 -7.870 -3.194 1.00 1.11 H new ATOM 0 HG3 GLN A 64 -10.337 -7.737 -1.471 1.00 1.11 H new ATOM 0 HE21 GLN A 64 -12.829 -8.276 -2.960 1.00 2.12 H new ATOM 0 HE22 GLN A 64 -13.970 -7.021 -2.464 1.00 2.12 H new ATOM 716 N GLU A 65 -8.098 -7.323 -5.116 1.00 0.58 N ATOM 717 CA GLU A 65 -8.042 -8.242 -6.248 1.00 0.63 C ATOM 718 C GLU A 65 -6.795 -9.107 -6.189 1.00 0.55 C ATOM 719 O GLU A 65 -6.881 -10.322 -6.314 1.00 0.62 O ATOM 720 CB GLU A 65 -8.094 -7.463 -7.561 1.00 0.69 C ATOM 721 CG GLU A 65 -9.407 -6.726 -7.754 1.00 1.24 C ATOM 722 CD GLU A 65 -9.435 -5.878 -9.003 1.00 1.50 C ATOM 723 OE1 GLU A 65 -9.459 -6.446 -10.115 1.00 2.21 O ATOM 724 OE2 GLU A 65 -9.471 -4.640 -8.884 1.00 1.95 O ATOM 0 H GLU A 65 -8.105 -6.337 -5.377 1.00 0.58 H new ATOM 0 HA GLU A 65 -8.908 -8.902 -6.196 1.00 0.63 H new ATOM 0 HB2 GLU A 65 -7.273 -6.747 -7.586 1.00 0.69 H new ATOM 0 HB3 GLU A 65 -7.943 -8.151 -8.393 1.00 0.69 H new ATOM 0 HG2 GLU A 65 -10.220 -7.451 -7.796 1.00 1.24 H new ATOM 0 HG3 GLU A 65 -9.591 -6.091 -6.887 1.00 1.24 H new ATOM 731 N ILE A 66 -5.639 -8.493 -5.967 1.00 0.46 N ATOM 732 CA ILE A 66 -4.394 -9.244 -5.899 1.00 0.46 C ATOM 733 C ILE A 66 -4.438 -10.268 -4.764 1.00 0.43 C ATOM 734 O ILE A 66 -3.918 -11.376 -4.899 1.00 0.48 O ATOM 735 CB ILE A 66 -3.178 -8.308 -5.728 1.00 0.54 C ATOM 736 CG1 ILE A 66 -3.083 -7.354 -6.922 1.00 0.66 C ATOM 737 CG2 ILE A 66 -1.891 -9.111 -5.587 1.00 0.64 C ATOM 738 CD1 ILE A 66 -1.933 -6.377 -6.835 1.00 0.53 C ATOM 0 H ILE A 66 -5.539 -7.487 -5.832 1.00 0.46 H new ATOM 0 HA ILE A 66 -4.281 -9.775 -6.844 1.00 0.46 H new ATOM 0 HB ILE A 66 -3.314 -7.725 -4.817 1.00 0.54 H new ATOM 0 HG12 ILE A 66 -2.981 -7.940 -7.835 1.00 0.66 H new ATOM 0 HG13 ILE A 66 -4.016 -6.796 -7.004 1.00 0.66 H new ATOM 0 HG21 ILE A 66 -1.048 -8.430 -5.468 1.00 0.64 H new ATOM 0 HG22 ILE A 66 -1.960 -9.759 -4.713 1.00 0.64 H new ATOM 0 HG23 ILE A 66 -1.742 -9.720 -6.479 1.00 0.64 H new ATOM 0 HD11 ILE A 66 -1.933 -5.736 -7.717 1.00 0.53 H new ATOM 0 HD12 ILE A 66 -2.043 -5.764 -5.941 1.00 0.53 H new ATOM 0 HD13 ILE A 66 -0.992 -6.926 -6.785 1.00 0.53 H new ATOM 750 N ALA A 67 -5.089 -9.905 -3.665 1.00 0.44 N ATOM 751 CA ALA A 67 -5.232 -10.807 -2.527 1.00 0.51 C ATOM 752 C ALA A 67 -6.257 -11.903 -2.817 1.00 0.55 C ATOM 753 O ALA A 67 -6.063 -13.064 -2.452 1.00 0.63 O ATOM 754 CB ALA A 67 -5.621 -10.023 -1.285 1.00 0.60 C ATOM 0 H ALA A 67 -5.526 -8.992 -3.537 1.00 0.44 H new ATOM 0 HA ALA A 67 -4.271 -11.291 -2.351 1.00 0.51 H new ATOM 0 HB1 ALA A 67 -5.725 -10.706 -0.442 1.00 0.60 H new ATOM 0 HB2 ALA A 67 -4.849 -9.287 -1.063 1.00 0.60 H new ATOM 0 HB3 ALA A 67 -6.569 -9.513 -1.458 1.00 0.60 H new ATOM 760 N GLU A 68 -7.346 -11.525 -3.477 1.00 0.60 N ATOM 761 CA GLU A 68 -8.389 -12.469 -3.874 1.00 0.73 C ATOM 762 C GLU A 68 -7.835 -13.505 -4.854 1.00 0.73 C ATOM 763 O GLU A 68 -8.223 -14.676 -4.830 1.00 0.87 O ATOM 764 CB GLU A 68 -9.559 -11.707 -4.514 1.00 0.83 C ATOM 765 CG GLU A 68 -10.689 -12.591 -5.029 1.00 1.10 C ATOM 766 CD GLU A 68 -11.521 -13.212 -3.925 1.00 1.71 C ATOM 767 OE1 GLU A 68 -11.146 -14.291 -3.423 1.00 2.46 O ATOM 768 OE2 GLU A 68 -12.571 -12.632 -3.574 1.00 2.22 O ATOM 0 H GLU A 68 -7.532 -10.561 -3.752 1.00 0.60 H new ATOM 0 HA GLU A 68 -8.743 -12.994 -2.987 1.00 0.73 H new ATOM 0 HB2 GLU A 68 -9.966 -11.011 -3.781 1.00 0.83 H new ATOM 0 HB3 GLU A 68 -9.177 -11.110 -5.342 1.00 0.83 H new ATOM 0 HG2 GLU A 68 -11.339 -11.998 -5.673 1.00 1.10 H new ATOM 0 HG3 GLU A 68 -10.267 -13.385 -5.645 1.00 1.10 H new ATOM 775 N LYS A 69 -6.918 -13.072 -5.708 1.00 0.65 N ATOM 776 CA LYS A 69 -6.339 -13.954 -6.716 1.00 0.71 C ATOM 777 C LYS A 69 -5.086 -14.648 -6.184 1.00 0.73 C ATOM 778 O LYS A 69 -4.445 -15.424 -6.898 1.00 0.92 O ATOM 779 CB LYS A 69 -5.994 -13.172 -7.985 1.00 0.73 C ATOM 780 CG LYS A 69 -7.105 -12.252 -8.470 1.00 0.77 C ATOM 781 CD LYS A 69 -6.812 -11.730 -9.864 1.00 1.29 C ATOM 782 CE LYS A 69 -7.918 -10.819 -10.369 1.00 1.73 C ATOM 783 NZ LYS A 69 -7.605 -10.264 -11.710 1.00 2.41 N ATOM 0 H LYS A 69 -6.559 -12.118 -5.724 1.00 0.65 H new ATOM 0 HA LYS A 69 -7.083 -14.713 -6.956 1.00 0.71 H new ATOM 0 HB2 LYS A 69 -5.099 -12.577 -7.800 1.00 0.73 H new ATOM 0 HB3 LYS A 69 -5.749 -13.878 -8.779 1.00 0.73 H new ATOM 0 HG2 LYS A 69 -8.053 -12.791 -8.472 1.00 0.77 H new ATOM 0 HG3 LYS A 69 -7.215 -11.415 -7.781 1.00 0.77 H new ATOM 0 HD2 LYS A 69 -5.868 -11.186 -9.857 1.00 1.29 H new ATOM 0 HD3 LYS A 69 -6.691 -12.570 -10.549 1.00 1.29 H new ATOM 0 HE2 LYS A 69 -8.854 -11.375 -10.415 1.00 1.73 H new ATOM 0 HE3 LYS A 69 -8.067 -10.002 -9.663 1.00 1.73 H new ATOM 0 HZ1 LYS A 69 -8.383 -9.648 -12.021 1.00 2.41 H new ATOM 0 HZ2 LYS A 69 -6.725 -9.712 -11.661 1.00 2.41 H new ATOM 0 HZ3 LYS A 69 -7.488 -11.043 -12.389 1.00 2.41 H new ATOM 797 N ALA A 70 -4.738 -14.367 -4.937 1.00 0.67 N ATOM 798 CA ALA A 70 -3.565 -14.967 -4.319 1.00 0.71 C ATOM 799 C ALA A 70 -3.935 -16.247 -3.587 1.00 0.69 C ATOM 800 O ALA A 70 -4.778 -16.233 -2.688 1.00 0.68 O ATOM 801 CB ALA A 70 -2.905 -13.993 -3.358 1.00 0.78 C ATOM 0 H ALA A 70 -5.252 -13.726 -4.332 1.00 0.67 H new ATOM 0 HA ALA A 70 -2.858 -15.210 -5.112 1.00 0.71 H new ATOM 0 HB1 ALA A 70 -2.030 -14.463 -2.908 1.00 0.78 H new ATOM 0 HB2 ALA A 70 -2.598 -13.099 -3.900 1.00 0.78 H new ATOM 0 HB3 ALA A 70 -3.612 -13.718 -2.576 1.00 0.78 H new ATOM 807 N PRO A 71 -3.334 -17.372 -3.980 1.00 0.84 N ATOM 808 CA PRO A 71 -3.547 -18.641 -3.305 1.00 0.90 C ATOM 809 C PRO A 71 -2.652 -18.796 -2.079 1.00 0.81 C ATOM 810 O PRO A 71 -1.434 -18.961 -2.193 1.00 0.93 O ATOM 811 CB PRO A 71 -3.184 -19.664 -4.380 1.00 1.19 C ATOM 812 CG PRO A 71 -2.164 -18.985 -5.233 1.00 1.34 C ATOM 813 CD PRO A 71 -2.418 -17.500 -5.127 1.00 1.08 C ATOM 0 HA PRO A 71 -4.562 -18.748 -2.924 1.00 0.90 H new ATOM 0 HB2 PRO A 71 -2.784 -20.576 -3.937 1.00 1.19 H new ATOM 0 HB3 PRO A 71 -4.059 -19.950 -4.964 1.00 1.19 H new ATOM 0 HG2 PRO A 71 -1.156 -19.229 -4.897 1.00 1.34 H new ATOM 0 HG3 PRO A 71 -2.244 -19.317 -6.268 1.00 1.34 H new ATOM 0 HD2 PRO A 71 -1.493 -16.948 -4.961 1.00 1.08 H new ATOM 0 HD3 PRO A 71 -2.865 -17.106 -6.040 1.00 1.08 H new ATOM 821 N GLY A 72 -3.254 -18.721 -0.907 1.00 0.75 N ATOM 822 CA GLY A 72 -2.520 -18.956 0.318 1.00 0.77 C ATOM 823 C GLY A 72 -2.171 -17.673 1.045 1.00 0.63 C ATOM 824 O GLY A 72 -2.967 -16.730 1.056 1.00 0.62 O ATOM 0 H GLY A 72 -4.242 -18.501 -0.779 1.00 0.75 H new ATOM 0 HA2 GLY A 72 -3.113 -19.592 0.976 1.00 0.77 H new ATOM 0 HA3 GLY A 72 -1.604 -19.500 0.089 1.00 0.77 H new ATOM 828 N PRO A 73 -0.986 -17.615 1.672 1.00 0.61 N ATOM 829 CA PRO A 73 -0.544 -16.447 2.443 1.00 0.58 C ATOM 830 C PRO A 73 -0.326 -15.212 1.575 1.00 0.48 C ATOM 831 O PRO A 73 0.500 -15.216 0.658 1.00 0.54 O ATOM 832 CB PRO A 73 0.786 -16.896 3.066 1.00 0.71 C ATOM 833 CG PRO A 73 0.806 -18.380 2.931 1.00 0.90 C ATOM 834 CD PRO A 73 0.018 -18.689 1.693 1.00 0.73 C ATOM 0 HA PRO A 73 -1.296 -16.151 3.175 1.00 0.58 H new ATOM 0 HB2 PRO A 73 1.633 -16.443 2.551 1.00 0.71 H new ATOM 0 HB3 PRO A 73 0.851 -16.596 4.112 1.00 0.71 H new ATOM 0 HG2 PRO A 73 1.827 -18.751 2.847 1.00 0.90 H new ATOM 0 HG3 PRO A 73 0.364 -18.858 3.805 1.00 0.90 H new ATOM 0 HD2 PRO A 73 0.644 -18.676 0.801 1.00 0.73 H new ATOM 0 HD3 PRO A 73 -0.445 -19.675 1.743 1.00 0.73 H new ATOM 842 N VAL A 74 -1.068 -14.158 1.873 1.00 0.48 N ATOM 843 CA VAL A 74 -0.936 -12.902 1.158 1.00 0.46 C ATOM 844 C VAL A 74 -1.054 -11.728 2.126 1.00 0.44 C ATOM 845 O VAL A 74 -1.857 -11.759 3.062 1.00 0.56 O ATOM 846 CB VAL A 74 -1.990 -12.773 0.028 1.00 0.62 C ATOM 847 CG1 VAL A 74 -3.406 -12.870 0.579 1.00 1.50 C ATOM 848 CG2 VAL A 74 -1.800 -11.473 -0.745 1.00 1.31 C ATOM 0 H VAL A 74 -1.772 -14.149 2.611 1.00 0.48 H new ATOM 0 HA VAL A 74 0.051 -12.887 0.695 1.00 0.46 H new ATOM 0 HB VAL A 74 -1.842 -13.605 -0.660 1.00 0.62 H new ATOM 0 HG11 VAL A 74 -4.122 -12.776 -0.238 1.00 1.50 H new ATOM 0 HG12 VAL A 74 -3.540 -13.834 1.070 1.00 1.50 H new ATOM 0 HG13 VAL A 74 -3.571 -12.070 1.300 1.00 1.50 H new ATOM 0 HG21 VAL A 74 -2.551 -11.405 -1.532 1.00 1.31 H new ATOM 0 HG22 VAL A 74 -1.908 -10.627 -0.066 1.00 1.31 H new ATOM 0 HG23 VAL A 74 -0.805 -11.456 -1.190 1.00 1.31 H new ATOM 858 N LYS A 75 -0.227 -10.718 1.917 1.00 0.44 N ATOM 859 CA LYS A 75 -0.244 -9.524 2.740 1.00 0.52 C ATOM 860 C LYS A 75 0.110 -8.312 1.896 1.00 0.42 C ATOM 861 O LYS A 75 1.249 -8.159 1.451 1.00 0.45 O ATOM 862 CB LYS A 75 0.721 -9.676 3.923 1.00 0.76 C ATOM 863 CG LYS A 75 0.923 -8.402 4.735 1.00 1.20 C ATOM 864 CD LYS A 75 1.234 -8.709 6.197 1.00 1.52 C ATOM 865 CE LYS A 75 2.379 -9.702 6.351 1.00 1.90 C ATOM 866 NZ LYS A 75 3.695 -9.124 5.974 1.00 2.58 N ATOM 0 H LYS A 75 0.472 -10.704 1.175 1.00 0.44 H new ATOM 0 HA LYS A 75 -1.246 -9.381 3.144 1.00 0.52 H new ATOM 0 HB2 LYS A 75 0.347 -10.458 4.583 1.00 0.76 H new ATOM 0 HB3 LYS A 75 1.688 -10.011 3.547 1.00 0.76 H new ATOM 0 HG2 LYS A 75 1.738 -7.821 4.304 1.00 1.20 H new ATOM 0 HG3 LYS A 75 0.026 -7.786 4.675 1.00 1.20 H new ATOM 0 HD2 LYS A 75 1.487 -7.783 6.714 1.00 1.52 H new ATOM 0 HD3 LYS A 75 0.342 -9.109 6.679 1.00 1.52 H new ATOM 0 HE2 LYS A 75 2.420 -10.045 7.385 1.00 1.90 H new ATOM 0 HE3 LYS A 75 2.181 -10.577 5.732 1.00 1.90 H new ATOM 0 HZ1 LYS A 75 4.411 -9.878 5.950 1.00 2.58 H new ATOM 0 HZ2 LYS A 75 3.624 -8.684 5.034 1.00 2.58 H new ATOM 0 HZ3 LYS A 75 3.972 -8.405 6.673 1.00 2.58 H new ATOM 880 N VAL A 76 -0.879 -7.467 1.654 1.00 0.42 N ATOM 881 CA VAL A 76 -0.690 -6.288 0.832 1.00 0.39 C ATOM 882 C VAL A 76 -0.938 -5.010 1.631 1.00 0.38 C ATOM 883 O VAL A 76 -1.931 -4.888 2.355 1.00 0.50 O ATOM 884 CB VAL A 76 -1.597 -6.329 -0.424 1.00 0.53 C ATOM 885 CG1 VAL A 76 -3.043 -6.585 -0.047 1.00 0.88 C ATOM 886 CG2 VAL A 76 -1.475 -5.041 -1.225 1.00 1.16 C ATOM 0 H VAL A 76 -1.825 -7.579 2.018 1.00 0.42 H new ATOM 0 HA VAL A 76 0.349 -6.284 0.501 1.00 0.39 H new ATOM 0 HB VAL A 76 -1.259 -7.155 -1.049 1.00 0.53 H new ATOM 0 HG11 VAL A 76 -3.655 -6.608 -0.948 1.00 0.88 H new ATOM 0 HG12 VAL A 76 -3.120 -7.542 0.469 1.00 0.88 H new ATOM 0 HG13 VAL A 76 -3.394 -5.789 0.610 1.00 0.88 H new ATOM 0 HG21 VAL A 76 -2.121 -5.095 -2.101 1.00 1.16 H new ATOM 0 HG22 VAL A 76 -1.775 -4.197 -0.604 1.00 1.16 H new ATOM 0 HG23 VAL A 76 -0.441 -4.908 -1.544 1.00 1.16 H new ATOM 896 N LEU A 77 -0.009 -4.075 1.512 1.00 0.35 N ATOM 897 CA LEU A 77 -0.108 -2.790 2.186 1.00 0.41 C ATOM 898 C LEU A 77 -0.374 -1.687 1.169 1.00 0.39 C ATOM 899 O LEU A 77 0.297 -1.603 0.141 1.00 0.43 O ATOM 900 CB LEU A 77 1.184 -2.500 2.962 1.00 0.54 C ATOM 901 CG LEU A 77 1.279 -1.115 3.616 1.00 0.62 C ATOM 902 CD1 LEU A 77 0.232 -0.944 4.707 1.00 0.90 C ATOM 903 CD2 LEU A 77 2.675 -0.894 4.178 1.00 1.35 C ATOM 0 H LEU A 77 0.833 -4.185 0.947 1.00 0.35 H new ATOM 0 HA LEU A 77 -0.938 -2.823 2.892 1.00 0.41 H new ATOM 0 HB2 LEU A 77 1.295 -3.256 3.740 1.00 0.54 H new ATOM 0 HB3 LEU A 77 2.027 -2.617 2.281 1.00 0.54 H new ATOM 0 HG LEU A 77 1.084 -0.366 2.849 1.00 0.62 H new ATOM 0 HD11 LEU A 77 0.327 0.047 5.150 1.00 0.90 H new ATOM 0 HD12 LEU A 77 -0.763 -1.056 4.277 1.00 0.90 H new ATOM 0 HD13 LEU A 77 0.382 -1.701 5.477 1.00 0.90 H new ATOM 0 HD21 LEU A 77 2.730 0.092 4.639 1.00 1.35 H new ATOM 0 HD22 LEU A 77 2.891 -1.657 4.926 1.00 1.35 H new ATOM 0 HD23 LEU A 77 3.406 -0.959 3.372 1.00 1.35 H new ATOM 915 N VAL A 78 -1.373 -0.867 1.446 1.00 0.37 N ATOM 916 CA VAL A 78 -1.687 0.271 0.598 1.00 0.36 C ATOM 917 C VAL A 78 -1.270 1.558 1.293 1.00 0.36 C ATOM 918 O VAL A 78 -1.607 1.781 2.457 1.00 0.38 O ATOM 919 CB VAL A 78 -3.192 0.339 0.261 1.00 0.40 C ATOM 920 CG1 VAL A 78 -3.479 1.478 -0.707 1.00 1.00 C ATOM 921 CG2 VAL A 78 -3.674 -0.986 -0.309 1.00 1.01 C ATOM 0 H VAL A 78 -1.984 -0.969 2.256 1.00 0.37 H new ATOM 0 HA VAL A 78 -1.137 0.149 -0.335 1.00 0.36 H new ATOM 0 HB VAL A 78 -3.739 0.533 1.184 1.00 0.40 H new ATOM 0 HG11 VAL A 78 -4.546 1.506 -0.930 1.00 1.00 H new ATOM 0 HG12 VAL A 78 -3.177 2.423 -0.256 1.00 1.00 H new ATOM 0 HG13 VAL A 78 -2.920 1.321 -1.629 1.00 1.00 H new ATOM 0 HG21 VAL A 78 -4.737 -0.918 -0.540 1.00 1.01 H new ATOM 0 HG22 VAL A 78 -3.119 -1.214 -1.219 1.00 1.01 H new ATOM 0 HG23 VAL A 78 -3.512 -1.777 0.423 1.00 1.01 H new ATOM 931 N LEU A 79 -0.524 2.391 0.589 1.00 0.38 N ATOM 932 CA LEU A 79 -0.023 3.630 1.163 1.00 0.40 C ATOM 933 C LEU A 79 -0.729 4.833 0.565 1.00 0.37 C ATOM 934 O LEU A 79 -0.814 4.970 -0.652 1.00 0.41 O ATOM 935 CB LEU A 79 1.488 3.775 0.939 1.00 0.46 C ATOM 936 CG LEU A 79 2.396 2.852 1.762 1.00 0.58 C ATOM 937 CD1 LEU A 79 2.070 2.946 3.245 1.00 1.23 C ATOM 938 CD2 LEU A 79 2.298 1.415 1.278 1.00 1.37 C ATOM 0 H LEU A 79 -0.251 2.233 -0.381 1.00 0.38 H new ATOM 0 HA LEU A 79 -0.224 3.590 2.234 1.00 0.40 H new ATOM 0 HB2 LEU A 79 1.694 3.602 -0.117 1.00 0.46 H new ATOM 0 HB3 LEU A 79 1.767 4.807 1.153 1.00 0.46 H new ATOM 0 HG LEU A 79 3.424 3.185 1.620 1.00 0.58 H new ATOM 0 HD11 LEU A 79 2.728 2.282 3.805 1.00 1.23 H new ATOM 0 HD12 LEU A 79 2.215 3.971 3.585 1.00 1.23 H new ATOM 0 HD13 LEU A 79 1.033 2.652 3.409 1.00 1.23 H new ATOM 0 HD21 LEU A 79 2.952 0.783 1.879 1.00 1.37 H new ATOM 0 HD22 LEU A 79 1.269 1.068 1.374 1.00 1.37 H new ATOM 0 HD23 LEU A 79 2.602 1.362 0.233 1.00 1.37 H new ATOM 950 N ILE A 80 -1.243 5.692 1.425 1.00 0.41 N ATOM 951 CA ILE A 80 -1.790 6.969 0.995 1.00 0.43 C ATOM 952 C ILE A 80 -0.821 8.074 1.383 1.00 0.41 C ATOM 953 O ILE A 80 -0.633 8.350 2.566 1.00 0.42 O ATOM 954 CB ILE A 80 -3.173 7.247 1.624 1.00 0.54 C ATOM 955 CG1 ILE A 80 -4.152 6.124 1.269 1.00 1.23 C ATOM 956 CG2 ILE A 80 -3.710 8.596 1.157 1.00 1.39 C ATOM 957 CD1 ILE A 80 -5.517 6.282 1.907 1.00 1.40 C ATOM 0 H ILE A 80 -1.294 5.529 2.431 1.00 0.41 H new ATOM 0 HA ILE A 80 -1.923 6.936 -0.086 1.00 0.43 H new ATOM 0 HB ILE A 80 -3.063 7.280 2.708 1.00 0.54 H new ATOM 0 HG12 ILE A 80 -4.269 6.085 0.186 1.00 1.23 H new ATOM 0 HG13 ILE A 80 -3.724 5.170 1.578 1.00 1.23 H new ATOM 0 HG21 ILE A 80 -4.685 8.776 1.610 1.00 1.39 H new ATOM 0 HG22 ILE A 80 -3.020 9.385 1.456 1.00 1.39 H new ATOM 0 HG23 ILE A 80 -3.809 8.592 0.072 1.00 1.39 H new ATOM 0 HD11 ILE A 80 -6.156 5.450 1.610 1.00 1.40 H new ATOM 0 HD12 ILE A 80 -5.413 6.290 2.992 1.00 1.40 H new ATOM 0 HD13 ILE A 80 -5.966 7.219 1.578 1.00 1.40 H new ATOM 969 N THR A 81 -0.181 8.677 0.395 1.00 0.60 N ATOM 970 CA THR A 81 0.843 9.674 0.662 1.00 0.69 C ATOM 971 C THR A 81 0.237 11.054 0.884 1.00 0.79 C ATOM 972 O THR A 81 -0.581 11.529 0.091 1.00 1.20 O ATOM 973 CB THR A 81 1.876 9.736 -0.476 1.00 1.13 C ATOM 974 OG1 THR A 81 1.222 9.962 -1.729 1.00 2.07 O ATOM 975 CG2 THR A 81 2.675 8.444 -0.544 1.00 1.92 C ATOM 0 H THR A 81 -0.351 8.495 -0.594 1.00 0.60 H new ATOM 0 HA THR A 81 1.350 9.368 1.577 1.00 0.69 H new ATOM 0 HB THR A 81 2.557 10.563 -0.272 1.00 1.13 H new ATOM 0 HG1 THR A 81 0.694 9.172 -1.969 1.00 2.07 H new ATOM 0 HG21 THR A 81 3.400 8.507 -1.355 1.00 1.92 H new ATOM 0 HG22 THR A 81 3.198 8.290 0.400 1.00 1.92 H new ATOM 0 HG23 THR A 81 2.000 7.608 -0.725 1.00 1.92 H new ATOM 983 N GLY A 82 0.637 11.685 1.977 1.00 0.73 N ATOM 984 CA GLY A 82 0.139 13.001 2.302 1.00 1.09 C ATOM 985 C GLY A 82 -0.972 12.943 3.327 1.00 0.92 C ATOM 986 O GLY A 82 -0.979 12.066 4.192 1.00 1.03 O ATOM 0 H GLY A 82 1.303 11.304 2.649 1.00 0.73 H new ATOM 0 HA2 GLY A 82 0.955 13.614 2.684 1.00 1.09 H new ATOM 0 HA3 GLY A 82 -0.227 13.485 1.397 1.00 1.09 H new ATOM 990 N SER A 83 -1.897 13.883 3.243 1.00 1.03 N ATOM 991 CA SER A 83 -3.050 13.902 4.126 1.00 1.19 C ATOM 992 C SER A 83 -4.316 13.591 3.333 1.00 1.10 C ATOM 993 O SER A 83 -4.602 14.247 2.330 1.00 1.22 O ATOM 994 CB SER A 83 -3.157 15.267 4.804 1.00 1.61 C ATOM 995 OG SER A 83 -1.924 15.618 5.413 1.00 2.22 O ATOM 0 H SER A 83 -1.871 14.647 2.568 1.00 1.03 H new ATOM 0 HA SER A 83 -2.931 13.140 4.896 1.00 1.19 H new ATOM 0 HB2 SER A 83 -3.435 16.023 4.070 1.00 1.61 H new ATOM 0 HB3 SER A 83 -3.947 15.246 5.555 1.00 1.61 H new ATOM 0 HG SER A 83 -2.009 16.495 5.841 1.00 2.22 H new ATOM 1001 N ALA A 84 -5.061 12.589 3.773 1.00 1.02 N ATOM 1002 CA ALA A 84 -6.260 12.168 3.065 1.00 0.95 C ATOM 1003 C ALA A 84 -7.435 13.078 3.393 1.00 0.97 C ATOM 1004 O ALA A 84 -7.921 13.096 4.525 1.00 1.13 O ATOM 1005 CB ALA A 84 -6.596 10.723 3.398 1.00 0.97 C ATOM 0 H ALA A 84 -4.857 12.053 4.616 1.00 1.02 H new ATOM 0 HA ALA A 84 -6.064 12.241 1.995 1.00 0.95 H new ATOM 0 HB1 ALA A 84 -7.496 10.425 2.859 1.00 0.97 H new ATOM 0 HB2 ALA A 84 -5.767 10.079 3.103 1.00 0.97 H new ATOM 0 HB3 ALA A 84 -6.766 10.627 4.470 1.00 0.97 H new ATOM 1011 N ASP A 85 -7.872 13.840 2.399 1.00 0.89 N ATOM 1012 CA ASP A 85 -9.028 14.719 2.543 1.00 0.93 C ATOM 1013 C ASP A 85 -10.254 13.899 2.945 1.00 0.81 C ATOM 1014 O ASP A 85 -10.365 12.748 2.539 1.00 0.71 O ATOM 1015 CB ASP A 85 -9.279 15.451 1.219 1.00 1.02 C ATOM 1016 CG ASP A 85 -10.373 16.493 1.312 1.00 1.39 C ATOM 1017 OD1 ASP A 85 -11.504 16.219 0.865 1.00 2.07 O ATOM 1018 OD2 ASP A 85 -10.104 17.598 1.831 1.00 1.92 O ATOM 0 H ASP A 85 -7.440 13.868 1.476 1.00 0.89 H new ATOM 0 HA ASP A 85 -8.835 15.456 3.322 1.00 0.93 H new ATOM 0 HB2 ASP A 85 -8.355 15.931 0.896 1.00 1.02 H new ATOM 0 HB3 ASP A 85 -9.544 14.722 0.453 1.00 1.02 H new ATOM 1023 N PRO A 86 -11.162 14.464 3.775 1.00 0.92 N ATOM 1024 CA PRO A 86 -12.372 13.788 4.268 1.00 0.95 C ATOM 1025 C PRO A 86 -12.998 12.778 3.297 1.00 0.85 C ATOM 1026 O PRO A 86 -13.313 11.655 3.689 1.00 0.88 O ATOM 1027 CB PRO A 86 -13.312 14.961 4.504 1.00 1.11 C ATOM 1028 CG PRO A 86 -12.418 16.049 4.989 1.00 1.30 C ATOM 1029 CD PRO A 86 -11.070 15.826 4.339 1.00 1.11 C ATOM 0 HA PRO A 86 -12.154 13.173 5.141 1.00 0.95 H new ATOM 0 HB2 PRO A 86 -13.829 15.248 3.589 1.00 1.11 H new ATOM 0 HB3 PRO A 86 -14.078 14.716 5.240 1.00 1.11 H new ATOM 0 HG2 PRO A 86 -12.819 17.027 4.723 1.00 1.30 H new ATOM 0 HG3 PRO A 86 -12.333 16.024 6.075 1.00 1.30 H new ATOM 0 HD2 PRO A 86 -10.874 16.566 3.563 1.00 1.11 H new ATOM 0 HD3 PRO A 86 -10.260 15.903 5.064 1.00 1.11 H new ATOM 1037 N ASP A 87 -13.171 13.169 2.037 1.00 0.82 N ATOM 1038 CA ASP A 87 -13.766 12.277 1.042 1.00 0.86 C ATOM 1039 C ASP A 87 -12.877 11.068 0.780 1.00 0.74 C ATOM 1040 O ASP A 87 -13.341 9.926 0.797 1.00 0.79 O ATOM 1041 CB ASP A 87 -14.041 13.018 -0.266 1.00 1.02 C ATOM 1042 CG ASP A 87 -15.292 13.867 -0.192 1.00 1.66 C ATOM 1043 OD1 ASP A 87 -15.188 15.103 -0.329 1.00 2.43 O ATOM 1044 OD2 ASP A 87 -16.388 13.298 0.010 1.00 2.21 O ATOM 0 H ASP A 87 -12.911 14.089 1.682 1.00 0.82 H new ATOM 0 HA ASP A 87 -14.714 11.925 1.449 1.00 0.86 H new ATOM 0 HB2 ASP A 87 -13.188 13.652 -0.508 1.00 1.02 H new ATOM 0 HB3 ASP A 87 -14.142 12.296 -1.076 1.00 1.02 H new ATOM 1049 N GLU A 88 -11.599 11.325 0.551 1.00 0.68 N ATOM 1050 CA GLU A 88 -10.614 10.264 0.371 1.00 0.67 C ATOM 1051 C GLU A 88 -10.511 9.415 1.634 1.00 0.55 C ATOM 1052 O GLU A 88 -10.340 8.199 1.565 1.00 0.54 O ATOM 1053 CB GLU A 88 -9.246 10.863 0.022 1.00 0.80 C ATOM 1054 CG GLU A 88 -9.067 11.200 -1.454 1.00 1.02 C ATOM 1055 CD GLU A 88 -10.235 11.961 -2.045 1.00 1.68 C ATOM 1056 OE1 GLU A 88 -10.328 13.186 -1.829 1.00 2.37 O ATOM 1057 OE2 GLU A 88 -11.061 11.335 -2.741 1.00 2.32 O ATOM 0 H GLU A 88 -11.215 12.267 0.485 1.00 0.68 H new ATOM 0 HA GLU A 88 -10.937 9.626 -0.452 1.00 0.67 H new ATOM 0 HB2 GLU A 88 -9.098 11.769 0.610 1.00 0.80 H new ATOM 0 HB3 GLU A 88 -8.468 10.160 0.319 1.00 0.80 H new ATOM 0 HG2 GLU A 88 -8.159 11.791 -1.576 1.00 1.02 H new ATOM 0 HG3 GLU A 88 -8.924 10.276 -2.015 1.00 1.02 H new ATOM 1064 N LYS A 89 -10.639 10.071 2.781 1.00 0.57 N ATOM 1065 CA LYS A 89 -10.605 9.401 4.077 1.00 0.62 C ATOM 1066 C LYS A 89 -11.771 8.420 4.202 1.00 0.59 C ATOM 1067 O LYS A 89 -11.632 7.350 4.795 1.00 0.64 O ATOM 1068 CB LYS A 89 -10.667 10.442 5.199 1.00 0.77 C ATOM 1069 CG LYS A 89 -10.489 9.870 6.599 1.00 1.34 C ATOM 1070 CD LYS A 89 -9.076 9.351 6.818 1.00 1.77 C ATOM 1071 CE LYS A 89 -8.865 8.898 8.255 1.00 2.39 C ATOM 1072 NZ LYS A 89 -7.468 8.454 8.501 1.00 2.81 N ATOM 0 H LYS A 89 -10.769 11.081 2.840 1.00 0.57 H new ATOM 0 HA LYS A 89 -9.674 8.841 4.160 1.00 0.62 H new ATOM 0 HB2 LYS A 89 -9.895 11.192 5.025 1.00 0.77 H new ATOM 0 HB3 LYS A 89 -11.627 10.955 5.149 1.00 0.77 H new ATOM 0 HG2 LYS A 89 -10.713 10.639 7.338 1.00 1.34 H new ATOM 0 HG3 LYS A 89 -11.202 9.061 6.755 1.00 1.34 H new ATOM 0 HD2 LYS A 89 -8.884 8.519 6.141 1.00 1.77 H new ATOM 0 HD3 LYS A 89 -8.358 10.133 6.573 1.00 1.77 H new ATOM 0 HE2 LYS A 89 -9.110 9.716 8.932 1.00 2.39 H new ATOM 0 HE3 LYS A 89 -9.550 8.081 8.482 1.00 2.39 H new ATOM 0 HZ1 LYS A 89 -7.368 8.154 9.492 1.00 2.81 H new ATOM 0 HZ2 LYS A 89 -7.242 7.656 7.873 1.00 2.81 H new ATOM 0 HZ3 LYS A 89 -6.815 9.241 8.310 1.00 2.81 H new ATOM 1086 N THR A 90 -12.912 8.788 3.627 1.00 0.62 N ATOM 1087 CA THR A 90 -14.088 7.931 3.634 1.00 0.69 C ATOM 1088 C THR A 90 -13.783 6.596 2.958 1.00 0.62 C ATOM 1089 O THR A 90 -14.061 5.527 3.508 1.00 0.69 O ATOM 1090 CB THR A 90 -15.272 8.605 2.913 1.00 0.86 C ATOM 1091 OG1 THR A 90 -15.521 9.900 3.479 1.00 1.33 O ATOM 1092 CG2 THR A 90 -16.530 7.756 3.016 1.00 1.17 C ATOM 0 H THR A 90 -13.045 9.679 3.149 1.00 0.62 H new ATOM 0 HA THR A 90 -14.361 7.758 4.675 1.00 0.69 H new ATOM 0 HB THR A 90 -15.009 8.710 1.860 1.00 0.86 H new ATOM 0 HG1 THR A 90 -14.732 10.468 3.356 1.00 1.33 H new ATOM 0 HG21 THR A 90 -17.349 8.255 2.499 1.00 1.17 H new ATOM 0 HG22 THR A 90 -16.351 6.783 2.558 1.00 1.17 H new ATOM 0 HG23 THR A 90 -16.792 7.620 4.065 1.00 1.17 H new ATOM 1100 N LYS A 91 -13.186 6.662 1.774 1.00 0.57 N ATOM 1101 CA LYS A 91 -12.849 5.459 1.026 1.00 0.64 C ATOM 1102 C LYS A 91 -11.640 4.757 1.624 1.00 0.63 C ATOM 1103 O LYS A 91 -11.473 3.550 1.458 1.00 0.73 O ATOM 1104 CB LYS A 91 -12.599 5.782 -0.447 1.00 0.73 C ATOM 1105 CG LYS A 91 -13.813 5.535 -1.326 1.00 1.06 C ATOM 1106 CD LYS A 91 -14.967 6.458 -0.983 1.00 1.51 C ATOM 1107 CE LYS A 91 -16.276 5.948 -1.564 1.00 1.83 C ATOM 1108 NZ LYS A 91 -16.163 5.626 -3.013 1.00 2.41 N ATOM 0 H LYS A 91 -12.926 7.534 1.313 1.00 0.57 H new ATOM 0 HA LYS A 91 -13.702 4.784 1.092 1.00 0.64 H new ATOM 0 HB2 LYS A 91 -12.299 6.826 -0.538 1.00 0.73 H new ATOM 0 HB3 LYS A 91 -11.767 5.178 -0.809 1.00 0.73 H new ATOM 0 HG2 LYS A 91 -13.537 5.674 -2.371 1.00 1.06 H new ATOM 0 HG3 LYS A 91 -14.134 4.499 -1.217 1.00 1.06 H new ATOM 0 HD2 LYS A 91 -15.057 6.544 0.100 1.00 1.51 H new ATOM 0 HD3 LYS A 91 -14.762 7.458 -1.366 1.00 1.51 H new ATOM 0 HE2 LYS A 91 -16.590 5.058 -1.020 1.00 1.83 H new ATOM 0 HE3 LYS A 91 -17.052 6.700 -1.420 1.00 1.83 H new ATOM 0 HZ1 LYS A 91 -17.082 5.778 -3.475 1.00 2.41 H new ATOM 0 HZ2 LYS A 91 -15.449 6.243 -3.451 1.00 2.41 H new ATOM 0 HZ3 LYS A 91 -15.878 4.632 -3.127 1.00 2.41 H new ATOM 1122 N ALA A 92 -10.813 5.509 2.334 1.00 0.58 N ATOM 1123 CA ALA A 92 -9.651 4.944 2.994 1.00 0.67 C ATOM 1124 C ALA A 92 -10.102 4.012 4.102 1.00 0.68 C ATOM 1125 O ALA A 92 -9.480 2.987 4.363 1.00 0.78 O ATOM 1126 CB ALA A 92 -8.762 6.047 3.547 1.00 0.74 C ATOM 0 H ALA A 92 -10.927 6.514 2.467 1.00 0.58 H new ATOM 0 HA ALA A 92 -9.068 4.377 2.269 1.00 0.67 H new ATOM 0 HB1 ALA A 92 -7.896 5.604 4.038 1.00 0.74 H new ATOM 0 HB2 ALA A 92 -8.428 6.688 2.731 1.00 0.74 H new ATOM 0 HB3 ALA A 92 -9.324 6.640 4.268 1.00 0.74 H new ATOM 1132 N LYS A 93 -11.199 4.382 4.745 1.00 0.64 N ATOM 1133 CA LYS A 93 -11.804 3.552 5.769 1.00 0.71 C ATOM 1134 C LYS A 93 -12.636 2.435 5.144 1.00 0.70 C ATOM 1135 O LYS A 93 -12.436 1.257 5.447 1.00 0.79 O ATOM 1136 CB LYS A 93 -12.676 4.408 6.696 1.00 0.80 C ATOM 1137 CG LYS A 93 -13.782 3.627 7.394 1.00 1.09 C ATOM 1138 CD LYS A 93 -14.513 4.478 8.416 1.00 1.56 C ATOM 1139 CE LYS A 93 -13.700 4.626 9.689 1.00 2.00 C ATOM 1140 NZ LYS A 93 -13.598 3.340 10.428 1.00 2.44 N ATOM 0 H LYS A 93 -11.690 5.259 4.572 1.00 0.64 H new ATOM 0 HA LYS A 93 -11.006 3.095 6.355 1.00 0.71 H new ATOM 0 HB2 LYS A 93 -12.041 4.873 7.450 1.00 0.80 H new ATOM 0 HB3 LYS A 93 -13.124 5.214 6.116 1.00 0.80 H new ATOM 0 HG2 LYS A 93 -14.491 3.260 6.652 1.00 1.09 H new ATOM 0 HG3 LYS A 93 -13.355 2.753 7.887 1.00 1.09 H new ATOM 0 HD2 LYS A 93 -14.716 5.463 7.995 1.00 1.56 H new ATOM 0 HD3 LYS A 93 -15.477 4.025 8.648 1.00 1.56 H new ATOM 0 HE2 LYS A 93 -12.701 4.985 9.443 1.00 2.00 H new ATOM 0 HE3 LYS A 93 -14.160 5.378 10.329 1.00 2.00 H new ATOM 0 HZ1 LYS A 93 -14.042 3.441 11.363 1.00 2.44 H new ATOM 0 HZ2 LYS A 93 -14.084 2.592 9.892 1.00 2.44 H new ATOM 0 HZ3 LYS A 93 -12.596 3.086 10.546 1.00 2.44 H new ATOM 1154 N LYS A 94 -13.553 2.819 4.262 1.00 0.66 N ATOM 1155 CA LYS A 94 -14.504 1.884 3.669 1.00 0.71 C ATOM 1156 C LYS A 94 -13.792 0.716 2.995 1.00 0.67 C ATOM 1157 O LYS A 94 -14.085 -0.446 3.279 1.00 0.74 O ATOM 1158 CB LYS A 94 -15.391 2.607 2.651 1.00 0.78 C ATOM 1159 CG LYS A 94 -16.459 1.721 2.027 1.00 1.36 C ATOM 1160 CD LYS A 94 -17.520 1.319 3.039 1.00 1.79 C ATOM 1161 CE LYS A 94 -18.514 0.333 2.445 1.00 2.57 C ATOM 1162 NZ LYS A 94 -19.131 0.845 1.191 1.00 2.85 N ATOM 0 H LYS A 94 -13.658 3.781 3.939 1.00 0.66 H new ATOM 0 HA LYS A 94 -15.123 1.486 4.473 1.00 0.71 H new ATOM 0 HB2 LYS A 94 -15.874 3.453 3.140 1.00 0.78 H new ATOM 0 HB3 LYS A 94 -14.762 3.014 1.859 1.00 0.78 H new ATOM 0 HG2 LYS A 94 -16.929 2.248 1.197 1.00 1.36 H new ATOM 0 HG3 LYS A 94 -15.993 0.826 1.614 1.00 1.36 H new ATOM 0 HD2 LYS A 94 -17.042 0.874 3.911 1.00 1.79 H new ATOM 0 HD3 LYS A 94 -18.049 2.207 3.384 1.00 1.79 H new ATOM 0 HE2 LYS A 94 -18.009 -0.611 2.241 1.00 2.57 H new ATOM 0 HE3 LYS A 94 -19.297 0.124 3.174 1.00 2.57 H new ATOM 0 HZ1 LYS A 94 -19.940 0.245 0.932 1.00 2.85 H new ATOM 0 HZ2 LYS A 94 -19.458 1.821 1.338 1.00 2.85 H new ATOM 0 HZ3 LYS A 94 -18.427 0.827 0.426 1.00 2.85 H new ATOM 1176 N ALA A 95 -12.850 1.025 2.118 1.00 0.60 N ATOM 1177 CA ALA A 95 -12.166 -0.002 1.351 1.00 0.60 C ATOM 1178 C ALA A 95 -11.222 -0.817 2.232 1.00 0.57 C ATOM 1179 O ALA A 95 -11.076 -2.022 2.040 1.00 0.57 O ATOM 1180 CB ALA A 95 -11.417 0.621 0.185 1.00 0.63 C ATOM 0 H ALA A 95 -12.543 1.977 1.920 1.00 0.60 H new ATOM 0 HA ALA A 95 -12.917 -0.686 0.955 1.00 0.60 H new ATOM 0 HB1 ALA A 95 -10.909 -0.160 -0.381 1.00 0.63 H new ATOM 0 HB2 ALA A 95 -12.122 1.140 -0.465 1.00 0.63 H new ATOM 0 HB3 ALA A 95 -10.682 1.331 0.563 1.00 0.63 H new ATOM 1186 N ALA A 96 -10.598 -0.165 3.209 1.00 0.57 N ATOM 1187 CA ALA A 96 -9.660 -0.848 4.094 1.00 0.58 C ATOM 1188 C ALA A 96 -10.368 -1.884 4.956 1.00 0.56 C ATOM 1189 O ALA A 96 -9.954 -3.041 5.012 1.00 0.59 O ATOM 1190 CB ALA A 96 -8.924 0.144 4.975 1.00 0.64 C ATOM 0 H ALA A 96 -10.723 0.828 3.407 1.00 0.57 H new ATOM 0 HA ALA A 96 -8.934 -1.362 3.464 1.00 0.58 H new ATOM 0 HB1 ALA A 96 -8.231 -0.391 5.625 1.00 0.64 H new ATOM 0 HB2 ALA A 96 -8.369 0.844 4.350 1.00 0.64 H new ATOM 0 HB3 ALA A 96 -9.642 0.693 5.584 1.00 0.64 H new ATOM 1196 N GLU A 97 -11.448 -1.472 5.612 1.00 0.57 N ATOM 1197 CA GLU A 97 -12.175 -2.366 6.504 1.00 0.63 C ATOM 1198 C GLU A 97 -12.874 -3.476 5.725 1.00 0.55 C ATOM 1199 O GLU A 97 -13.219 -4.515 6.284 1.00 0.58 O ATOM 1200 CB GLU A 97 -13.185 -1.593 7.354 1.00 0.80 C ATOM 1201 CG GLU A 97 -12.538 -0.638 8.346 1.00 1.46 C ATOM 1202 CD GLU A 97 -13.521 -0.104 9.367 1.00 1.94 C ATOM 1203 OE1 GLU A 97 -14.106 0.974 9.135 1.00 2.62 O ATOM 1204 OE2 GLU A 97 -13.715 -0.764 10.411 1.00 2.39 O ATOM 0 H GLU A 97 -11.837 -0.531 5.543 1.00 0.57 H new ATOM 0 HA GLU A 97 -11.446 -2.826 7.171 1.00 0.63 H new ATOM 0 HB2 GLU A 97 -13.845 -1.028 6.696 1.00 0.80 H new ATOM 0 HB3 GLU A 97 -13.808 -2.302 7.898 1.00 0.80 H new ATOM 0 HG2 GLU A 97 -11.727 -1.151 8.862 1.00 1.46 H new ATOM 0 HG3 GLU A 97 -12.094 0.197 7.804 1.00 1.46 H new ATOM 1211 N GLU A 98 -13.071 -3.258 4.436 1.00 0.55 N ATOM 1212 CA GLU A 98 -13.668 -4.269 3.577 1.00 0.57 C ATOM 1213 C GLU A 98 -12.607 -5.270 3.119 1.00 0.52 C ATOM 1214 O GLU A 98 -12.772 -6.484 3.258 1.00 0.60 O ATOM 1215 CB GLU A 98 -14.324 -3.602 2.364 1.00 0.66 C ATOM 1216 CG GLU A 98 -15.023 -4.572 1.426 1.00 1.40 C ATOM 1217 CD GLU A 98 -16.197 -5.277 2.076 1.00 1.82 C ATOM 1218 OE1 GLU A 98 -17.293 -4.676 2.147 1.00 2.06 O ATOM 1219 OE2 GLU A 98 -16.035 -6.439 2.506 1.00 2.66 O ATOM 0 H GLU A 98 -12.826 -2.390 3.960 1.00 0.55 H new ATOM 0 HA GLU A 98 -14.430 -4.805 4.142 1.00 0.57 H new ATOM 0 HB2 GLU A 98 -15.048 -2.867 2.715 1.00 0.66 H new ATOM 0 HB3 GLU A 98 -13.562 -3.058 1.805 1.00 0.66 H new ATOM 0 HG2 GLU A 98 -15.372 -4.031 0.546 1.00 1.40 H new ATOM 0 HG3 GLU A 98 -14.305 -5.316 1.079 1.00 1.40 H new ATOM 1226 N ALA A 99 -11.504 -4.751 2.600 1.00 0.46 N ATOM 1227 CA ALA A 99 -10.458 -5.589 2.031 1.00 0.49 C ATOM 1228 C ALA A 99 -9.596 -6.249 3.108 1.00 0.46 C ATOM 1229 O ALA A 99 -8.848 -7.184 2.821 1.00 0.50 O ATOM 1230 CB ALA A 99 -9.595 -4.770 1.087 1.00 0.58 C ATOM 0 H ALA A 99 -11.310 -3.750 2.561 1.00 0.46 H new ATOM 0 HA ALA A 99 -10.943 -6.391 1.475 1.00 0.49 H new ATOM 0 HB1 ALA A 99 -8.815 -5.404 0.665 1.00 0.58 H new ATOM 0 HB2 ALA A 99 -10.213 -4.371 0.283 1.00 0.58 H new ATOM 0 HB3 ALA A 99 -9.137 -3.946 1.635 1.00 0.58 H new ATOM 1236 N ARG A 100 -9.709 -5.777 4.350 1.00 0.47 N ATOM 1237 CA ARG A 100 -8.901 -6.305 5.455 1.00 0.53 C ATOM 1238 C ARG A 100 -9.139 -7.802 5.658 1.00 0.51 C ATOM 1239 O ARG A 100 -8.308 -8.497 6.243 1.00 0.56 O ATOM 1240 CB ARG A 100 -9.193 -5.555 6.758 1.00 0.64 C ATOM 1241 CG ARG A 100 -10.570 -5.832 7.339 1.00 1.22 C ATOM 1242 CD ARG A 100 -10.771 -5.118 8.667 1.00 1.52 C ATOM 1243 NE ARG A 100 -9.738 -5.470 9.639 1.00 2.17 N ATOM 1244 CZ ARG A 100 -9.791 -5.158 10.932 1.00 2.86 C ATOM 1245 NH1 ARG A 100 -10.850 -4.530 11.426 1.00 2.99 N ATOM 1246 NH2 ARG A 100 -8.781 -5.483 11.729 1.00 3.77 N ATOM 0 H ARG A 100 -10.351 -5.031 4.618 1.00 0.47 H new ATOM 0 HA ARG A 100 -7.855 -6.154 5.186 1.00 0.53 H new ATOM 0 HB2 ARG A 100 -8.438 -5.824 7.497 1.00 0.64 H new ATOM 0 HB3 ARG A 100 -9.095 -4.484 6.578 1.00 0.64 H new ATOM 0 HG2 ARG A 100 -11.335 -5.510 6.633 1.00 1.22 H new ATOM 0 HG3 ARG A 100 -10.697 -6.905 7.479 1.00 1.22 H new ATOM 0 HD2 ARG A 100 -10.763 -4.040 8.504 1.00 1.52 H new ATOM 0 HD3 ARG A 100 -11.751 -5.373 9.071 1.00 1.52 H new ATOM 0 HE ARG A 100 -8.925 -5.988 9.305 1.00 2.17 H new ATOM 0 HH11 ARG A 100 -11.628 -4.284 10.814 1.00 2.99 H new ATOM 0 HH12 ARG A 100 -10.886 -4.293 12.417 1.00 2.99 H new ATOM 0 HH21 ARG A 100 -7.969 -5.970 11.350 1.00 3.77 H new ATOM 0 HH22 ARG A 100 -8.817 -5.246 12.720 1.00 3.77 H new ATOM 1260 N LYS A 101 -10.268 -8.295 5.160 1.00 0.51 N ATOM 1261 CA LYS A 101 -10.597 -9.714 5.249 1.00 0.58 C ATOM 1262 C LYS A 101 -9.590 -10.548 4.457 1.00 0.63 C ATOM 1263 O LYS A 101 -9.380 -11.727 4.738 1.00 0.81 O ATOM 1264 CB LYS A 101 -12.011 -9.963 4.717 1.00 0.74 C ATOM 1265 CG LYS A 101 -13.098 -9.191 5.456 1.00 1.37 C ATOM 1266 CD LYS A 101 -13.226 -9.625 6.913 1.00 1.81 C ATOM 1267 CE LYS A 101 -13.628 -11.089 7.037 1.00 2.63 C ATOM 1268 NZ LYS A 101 -14.919 -11.376 6.357 1.00 3.24 N ATOM 0 H LYS A 101 -10.974 -7.730 4.688 1.00 0.51 H new ATOM 0 HA LYS A 101 -10.553 -10.013 6.296 1.00 0.58 H new ATOM 0 HB2 LYS A 101 -12.043 -9.694 3.661 1.00 0.74 H new ATOM 0 HB3 LYS A 101 -12.230 -11.029 4.781 1.00 0.74 H new ATOM 0 HG2 LYS A 101 -12.875 -8.125 5.415 1.00 1.37 H new ATOM 0 HG3 LYS A 101 -14.052 -9.337 4.950 1.00 1.37 H new ATOM 0 HD2 LYS A 101 -12.277 -9.465 7.424 1.00 1.81 H new ATOM 0 HD3 LYS A 101 -13.967 -9.002 7.414 1.00 1.81 H new ATOM 0 HE2 LYS A 101 -12.846 -11.716 6.609 1.00 2.63 H new ATOM 0 HE3 LYS A 101 -13.708 -11.354 8.091 1.00 2.63 H new ATOM 0 HZ1 LYS A 101 -15.255 -12.321 6.634 1.00 3.24 H new ATOM 0 HZ2 LYS A 101 -15.624 -10.663 6.635 1.00 3.24 H new ATOM 0 HZ3 LYS A 101 -14.783 -11.345 5.326 1.00 3.24 H new ATOM 1282 N TRP A 102 -8.963 -9.915 3.474 1.00 0.57 N ATOM 1283 CA TRP A 102 -7.973 -10.578 2.639 1.00 0.71 C ATOM 1284 C TRP A 102 -6.572 -10.186 3.090 1.00 0.64 C ATOM 1285 O TRP A 102 -5.603 -10.319 2.344 1.00 0.73 O ATOM 1286 CB TRP A 102 -8.185 -10.195 1.174 1.00 0.84 C ATOM 1287 CG TRP A 102 -9.609 -10.332 0.733 1.00 1.11 C ATOM 1288 CD1 TRP A 102 -10.500 -9.322 0.511 1.00 2.13 C ATOM 1289 CD2 TRP A 102 -10.311 -11.552 0.481 1.00 1.10 C ATOM 1290 NE1 TRP A 102 -11.714 -9.839 0.132 1.00 2.16 N ATOM 1291 CE2 TRP A 102 -11.623 -11.207 0.106 1.00 1.38 C ATOM 1292 CE3 TRP A 102 -9.959 -12.902 0.536 1.00 2.00 C ATOM 1293 CZ2 TRP A 102 -12.579 -12.164 -0.213 1.00 1.59 C ATOM 1294 CZ3 TRP A 102 -10.910 -13.852 0.219 1.00 2.65 C ATOM 1295 CH2 TRP A 102 -12.207 -13.478 -0.151 1.00 2.21 C ATOM 0 H TRP A 102 -9.125 -8.937 3.235 1.00 0.57 H new ATOM 0 HA TRP A 102 -8.086 -11.658 2.738 1.00 0.71 H new ATOM 0 HB2 TRP A 102 -7.861 -9.165 1.023 1.00 0.84 H new ATOM 0 HB3 TRP A 102 -7.554 -10.823 0.545 1.00 0.84 H new ATOM 0 HD1 TRP A 102 -10.282 -8.270 0.618 1.00 2.13 H new ATOM 0 HE1 TRP A 102 -12.547 -9.295 -0.093 1.00 2.16 H new ATOM 0 HE3 TRP A 102 -8.960 -13.198 0.821 1.00 2.00 H new ATOM 0 HZ2 TRP A 102 -13.581 -11.880 -0.500 1.00 1.59 H new ATOM 0 HZ3 TRP A 102 -10.649 -14.899 0.257 1.00 2.65 H new ATOM 0 HH2 TRP A 102 -12.929 -14.244 -0.393 1.00 2.21 H new ATOM 1306 N ASN A 103 -6.498 -9.687 4.323 1.00 0.56 N ATOM 1307 CA ASN A 103 -5.248 -9.238 4.936 1.00 0.64 C ATOM 1308 C ASN A 103 -4.705 -8.004 4.214 1.00 0.56 C ATOM 1309 O ASN A 103 -3.493 -7.766 4.160 1.00 0.70 O ATOM 1310 CB ASN A 103 -4.209 -10.366 4.957 1.00 0.89 C ATOM 1311 CG ASN A 103 -3.063 -10.089 5.913 1.00 1.17 C ATOM 1312 OD1 ASN A 103 -3.226 -9.396 6.918 1.00 1.58 O ATOM 1313 ND2 ASN A 103 -1.897 -10.633 5.612 1.00 2.00 N ATOM 0 H ASN A 103 -7.311 -9.582 4.930 1.00 0.56 H new ATOM 0 HA ASN A 103 -5.458 -8.961 5.969 1.00 0.64 H new ATOM 0 HB2 ASN A 103 -4.697 -11.298 5.241 1.00 0.89 H new ATOM 0 HB3 ASN A 103 -3.812 -10.508 3.952 1.00 0.89 H new ATOM 0 HD21 ASN A 103 -1.093 -10.485 6.221 1.00 2.00 H new ATOM 0 HD22 ASN A 103 -1.801 -11.201 4.770 1.00 2.00 H new ATOM 1320 N VAL A 104 -5.617 -7.220 3.655 1.00 0.46 N ATOM 1321 CA VAL A 104 -5.264 -5.949 3.045 1.00 0.45 C ATOM 1322 C VAL A 104 -5.256 -4.865 4.113 1.00 0.48 C ATOM 1323 O VAL A 104 -6.161 -4.798 4.947 1.00 0.63 O ATOM 1324 CB VAL A 104 -6.252 -5.560 1.923 1.00 0.45 C ATOM 1325 CG1 VAL A 104 -5.848 -4.246 1.269 1.00 0.73 C ATOM 1326 CG2 VAL A 104 -6.349 -6.667 0.884 1.00 0.99 C ATOM 0 H VAL A 104 -6.611 -7.445 3.612 1.00 0.46 H new ATOM 0 HA VAL A 104 -4.274 -6.050 2.599 1.00 0.45 H new ATOM 0 HB VAL A 104 -7.235 -5.424 2.374 1.00 0.45 H new ATOM 0 HG11 VAL A 104 -6.561 -3.997 0.483 1.00 0.73 H new ATOM 0 HG12 VAL A 104 -5.841 -3.454 2.018 1.00 0.73 H new ATOM 0 HG13 VAL A 104 -4.852 -4.346 0.837 1.00 0.73 H new ATOM 0 HG21 VAL A 104 -7.050 -6.373 0.103 1.00 0.99 H new ATOM 0 HG22 VAL A 104 -5.367 -6.840 0.444 1.00 0.99 H new ATOM 0 HG23 VAL A 104 -6.700 -7.583 1.360 1.00 0.99 H new ATOM 1336 N ARG A 105 -4.230 -4.036 4.107 1.00 0.45 N ATOM 1337 CA ARG A 105 -4.095 -2.994 5.109 1.00 0.48 C ATOM 1338 C ARG A 105 -3.695 -1.676 4.466 1.00 0.44 C ATOM 1339 O ARG A 105 -2.840 -1.640 3.584 1.00 0.51 O ATOM 1340 CB ARG A 105 -3.083 -3.426 6.171 1.00 0.59 C ATOM 1341 CG ARG A 105 -1.784 -3.962 5.597 1.00 1.28 C ATOM 1342 CD ARG A 105 -1.005 -4.734 6.644 1.00 1.72 C ATOM 1343 NE ARG A 105 -1.729 -5.927 7.092 1.00 2.38 N ATOM 1344 CZ ARG A 105 -1.786 -6.336 8.362 1.00 3.11 C ATOM 1345 NH1 ARG A 105 -1.189 -5.637 9.321 1.00 3.33 N ATOM 1346 NH2 ARG A 105 -2.446 -7.442 8.673 1.00 4.06 N ATOM 0 H ARG A 105 -3.477 -4.063 3.420 1.00 0.45 H new ATOM 0 HA ARG A 105 -5.059 -2.840 5.594 1.00 0.48 H new ATOM 0 HB2 ARG A 105 -2.861 -2.575 6.815 1.00 0.59 H new ATOM 0 HB3 ARG A 105 -3.535 -4.193 6.800 1.00 0.59 H new ATOM 0 HG2 ARG A 105 -1.998 -4.610 4.747 1.00 1.28 H new ATOM 0 HG3 ARG A 105 -1.179 -3.136 5.224 1.00 1.28 H new ATOM 0 HD2 ARG A 105 -0.039 -5.028 6.234 1.00 1.72 H new ATOM 0 HD3 ARG A 105 -0.806 -4.088 7.499 1.00 1.72 H new ATOM 0 HE ARG A 105 -2.220 -6.480 6.389 1.00 2.38 H new ATOM 0 HH11 ARG A 105 -0.683 -4.782 9.089 1.00 3.33 H new ATOM 0 HH12 ARG A 105 -1.237 -5.955 10.289 1.00 3.33 H new ATOM 0 HH21 ARG A 105 -2.911 -7.981 7.942 1.00 4.06 H new ATOM 0 HH22 ARG A 105 -2.489 -7.754 9.643 1.00 4.06 H new ATOM 1360 N VAL A 106 -4.328 -0.599 4.902 1.00 0.47 N ATOM 1361 CA VAL A 106 -4.112 0.712 4.308 1.00 0.48 C ATOM 1362 C VAL A 106 -3.558 1.681 5.343 1.00 0.50 C ATOM 1363 O VAL A 106 -4.144 1.863 6.411 1.00 0.64 O ATOM 1364 CB VAL A 106 -5.422 1.284 3.727 1.00 0.63 C ATOM 1365 CG1 VAL A 106 -5.162 2.586 2.983 1.00 1.26 C ATOM 1366 CG2 VAL A 106 -6.092 0.266 2.816 1.00 1.58 C ATOM 0 H VAL A 106 -5.000 -0.607 5.670 1.00 0.47 H new ATOM 0 HA VAL A 106 -3.392 0.591 3.499 1.00 0.48 H new ATOM 0 HB VAL A 106 -6.097 1.499 4.555 1.00 0.63 H new ATOM 0 HG11 VAL A 106 -6.100 2.970 2.583 1.00 1.26 H new ATOM 0 HG12 VAL A 106 -4.734 3.317 3.668 1.00 1.26 H new ATOM 0 HG13 VAL A 106 -4.465 2.404 2.164 1.00 1.26 H new ATOM 0 HG21 VAL A 106 -7.014 0.687 2.416 1.00 1.58 H new ATOM 0 HG22 VAL A 106 -5.421 0.016 1.994 1.00 1.58 H new ATOM 0 HG23 VAL A 106 -6.322 -0.635 3.384 1.00 1.58 H new ATOM 1376 N ARG A 107 -2.437 2.303 5.021 1.00 0.46 N ATOM 1377 CA ARG A 107 -1.773 3.206 5.944 1.00 0.58 C ATOM 1378 C ARG A 107 -1.513 4.556 5.280 1.00 0.49 C ATOM 1379 O ARG A 107 -1.118 4.621 4.116 1.00 0.48 O ATOM 1380 CB ARG A 107 -0.464 2.575 6.428 1.00 0.74 C ATOM 1381 CG ARG A 107 0.285 3.414 7.447 1.00 1.02 C ATOM 1382 CD ARG A 107 0.699 2.587 8.651 1.00 0.90 C ATOM 1383 NE ARG A 107 -0.456 2.046 9.367 1.00 1.58 N ATOM 1384 CZ ARG A 107 -0.371 1.229 10.416 1.00 2.15 C ATOM 1385 NH1 ARG A 107 0.816 0.857 10.876 1.00 2.26 N ATOM 1386 NH2 ARG A 107 -1.476 0.789 11.005 1.00 3.00 N ATOM 0 H ARG A 107 -1.966 2.198 4.122 1.00 0.46 H new ATOM 0 HA ARG A 107 -2.420 3.377 6.804 1.00 0.58 H new ATOM 0 HB2 ARG A 107 -0.682 1.600 6.865 1.00 0.74 H new ATOM 0 HB3 ARG A 107 0.184 2.402 5.569 1.00 0.74 H new ATOM 0 HG2 ARG A 107 1.169 3.850 6.982 1.00 1.02 H new ATOM 0 HG3 ARG A 107 -0.345 4.242 7.772 1.00 1.02 H new ATOM 0 HD2 ARG A 107 1.340 1.768 8.325 1.00 0.90 H new ATOM 0 HD3 ARG A 107 1.290 3.204 9.329 1.00 0.90 H new ATOM 0 HE ARG A 107 -1.386 2.311 9.042 1.00 1.58 H new ATOM 0 HH11 ARG A 107 1.666 1.196 10.427 1.00 2.26 H new ATOM 0 HH12 ARG A 107 0.879 0.231 11.679 1.00 2.26 H new ATOM 0 HH21 ARG A 107 -2.390 1.076 10.655 1.00 3.00 H new ATOM 0 HH22 ARG A 107 -1.411 0.163 11.808 1.00 3.00 H new ATOM 1400 N THR A 108 -1.757 5.629 6.017 1.00 0.56 N ATOM 1401 CA THR A 108 -1.544 6.971 5.501 1.00 0.51 C ATOM 1402 C THR A 108 -0.160 7.470 5.884 1.00 0.52 C ATOM 1403 O THR A 108 0.150 7.618 7.065 1.00 0.66 O ATOM 1404 CB THR A 108 -2.599 7.949 6.044 1.00 0.59 C ATOM 1405 OG1 THR A 108 -3.897 7.342 5.970 1.00 0.86 O ATOM 1406 CG2 THR A 108 -2.597 9.246 5.248 1.00 0.68 C ATOM 0 H THR A 108 -2.103 5.595 6.976 1.00 0.56 H new ATOM 0 HA THR A 108 -1.632 6.925 4.416 1.00 0.51 H new ATOM 0 HB THR A 108 -2.356 8.180 7.081 1.00 0.59 H new ATOM 0 HG1 THR A 108 -4.569 7.964 6.318 1.00 0.86 H new ATOM 0 HG21 THR A 108 -3.352 9.921 5.651 1.00 0.68 H new ATOM 0 HG22 THR A 108 -1.615 9.715 5.319 1.00 0.68 H new ATOM 0 HG23 THR A 108 -2.823 9.032 4.203 1.00 0.68 H new ATOM 1414 N VAL A 109 0.670 7.720 4.887 1.00 0.47 N ATOM 1415 CA VAL A 109 2.022 8.186 5.123 1.00 0.55 C ATOM 1416 C VAL A 109 2.181 9.625 4.657 1.00 0.57 C ATOM 1417 O VAL A 109 2.168 9.919 3.463 1.00 0.62 O ATOM 1418 CB VAL A 109 3.069 7.275 4.446 1.00 0.67 C ATOM 1419 CG1 VAL A 109 3.189 5.970 5.210 1.00 1.51 C ATOM 1420 CG2 VAL A 109 2.705 6.996 2.996 1.00 1.05 C ATOM 0 H VAL A 109 0.429 7.607 3.902 1.00 0.47 H new ATOM 0 HA VAL A 109 2.200 8.145 6.198 1.00 0.55 H new ATOM 0 HB VAL A 109 4.027 7.794 4.459 1.00 0.67 H new ATOM 0 HG11 VAL A 109 3.929 5.332 4.727 1.00 1.51 H new ATOM 0 HG12 VAL A 109 3.500 6.175 6.234 1.00 1.51 H new ATOM 0 HG13 VAL A 109 2.224 5.463 5.219 1.00 1.51 H new ATOM 0 HG21 VAL A 109 3.462 6.352 2.548 1.00 1.05 H new ATOM 0 HG22 VAL A 109 1.735 6.500 2.953 1.00 1.05 H new ATOM 0 HG23 VAL A 109 2.656 7.936 2.446 1.00 1.05 H new ATOM 1430 N THR A 110 2.320 10.521 5.615 1.00 0.70 N ATOM 1431 CA THR A 110 2.393 11.940 5.331 1.00 0.84 C ATOM 1432 C THR A 110 3.786 12.329 4.830 1.00 0.84 C ATOM 1433 O THR A 110 3.978 13.407 4.264 1.00 0.97 O ATOM 1434 CB THR A 110 2.035 12.749 6.593 1.00 1.02 C ATOM 1435 OG1 THR A 110 0.941 12.111 7.273 1.00 1.55 O ATOM 1436 CG2 THR A 110 1.637 14.173 6.238 1.00 1.45 C ATOM 0 H THR A 110 2.385 10.287 6.606 1.00 0.70 H new ATOM 0 HA THR A 110 1.675 12.169 4.544 1.00 0.84 H new ATOM 0 HB THR A 110 2.914 12.785 7.237 1.00 1.02 H new ATOM 0 HG1 THR A 110 0.713 12.623 8.077 1.00 1.55 H new ATOM 0 HG21 THR A 110 1.390 14.719 7.148 1.00 1.45 H new ATOM 0 HG22 THR A 110 2.466 14.667 5.732 1.00 1.45 H new ATOM 0 HG23 THR A 110 0.769 14.155 5.579 1.00 1.45 H new ATOM 1444 N SER A 111 4.749 11.436 5.021 1.00 0.79 N ATOM 1445 CA SER A 111 6.118 11.692 4.602 1.00 0.85 C ATOM 1446 C SER A 111 6.720 10.453 3.935 1.00 0.76 C ATOM 1447 O SER A 111 6.265 9.330 4.175 1.00 0.69 O ATOM 1448 CB SER A 111 6.956 12.101 5.813 1.00 0.96 C ATOM 1449 OG SER A 111 6.920 11.100 6.815 1.00 1.52 O ATOM 0 H SER A 111 4.606 10.528 5.464 1.00 0.79 H new ATOM 0 HA SER A 111 6.118 12.503 3.874 1.00 0.85 H new ATOM 0 HB2 SER A 111 7.987 12.275 5.505 1.00 0.96 H new ATOM 0 HB3 SER A 111 6.581 13.041 6.219 1.00 0.96 H new ATOM 0 HG SER A 111 7.464 11.383 7.579 1.00 1.52 H new ATOM 1455 N PRO A 112 7.747 10.641 3.084 1.00 0.82 N ATOM 1456 CA PRO A 112 8.441 9.530 2.422 1.00 0.80 C ATOM 1457 C PRO A 112 9.108 8.592 3.421 1.00 0.70 C ATOM 1458 O PRO A 112 9.158 7.378 3.213 1.00 0.74 O ATOM 1459 CB PRO A 112 9.507 10.217 1.557 1.00 0.95 C ATOM 1460 CG PRO A 112 9.058 11.633 1.426 1.00 1.05 C ATOM 1461 CD PRO A 112 8.300 11.948 2.683 1.00 0.97 C ATOM 0 HA PRO A 112 7.748 8.911 1.851 1.00 0.80 H new ATOM 0 HB2 PRO A 112 10.490 10.158 2.024 1.00 0.95 H new ATOM 0 HB3 PRO A 112 9.589 9.739 0.581 1.00 0.95 H new ATOM 0 HG2 PRO A 112 9.910 12.302 1.307 1.00 1.05 H new ATOM 0 HG3 PRO A 112 8.426 11.762 0.547 1.00 1.05 H new ATOM 0 HD2 PRO A 112 8.952 12.362 3.452 1.00 0.97 H new ATOM 0 HD3 PRO A 112 7.512 12.680 2.505 1.00 0.97 H new ATOM 1469 N ASP A 113 9.605 9.161 4.516 1.00 0.67 N ATOM 1470 CA ASP A 113 10.320 8.390 5.527 1.00 0.66 C ATOM 1471 C ASP A 113 9.408 7.350 6.167 1.00 0.59 C ATOM 1472 O ASP A 113 9.814 6.208 6.379 1.00 0.63 O ATOM 1473 CB ASP A 113 10.899 9.312 6.600 1.00 0.74 C ATOM 1474 CG ASP A 113 11.692 8.553 7.645 1.00 1.73 C ATOM 1475 OD1 ASP A 113 12.788 8.051 7.317 1.00 2.48 O ATOM 1476 OD2 ASP A 113 11.234 8.464 8.799 1.00 2.44 O ATOM 0 H ASP A 113 9.525 10.156 4.725 1.00 0.67 H new ATOM 0 HA ASP A 113 11.140 7.871 5.031 1.00 0.66 H new ATOM 0 HB2 ASP A 113 11.542 10.055 6.129 1.00 0.74 H new ATOM 0 HB3 ASP A 113 10.088 9.854 7.086 1.00 0.74 H new ATOM 1481 N GLU A 114 8.172 7.744 6.455 1.00 0.57 N ATOM 1482 CA GLU A 114 7.198 6.824 7.031 1.00 0.60 C ATOM 1483 C GLU A 114 6.858 5.710 6.046 1.00 0.52 C ATOM 1484 O GLU A 114 6.699 4.556 6.436 1.00 0.52 O ATOM 1485 CB GLU A 114 5.929 7.566 7.448 1.00 0.73 C ATOM 1486 CG GLU A 114 6.131 8.506 8.625 1.00 1.18 C ATOM 1487 CD GLU A 114 6.623 7.790 9.867 1.00 1.99 C ATOM 1488 OE1 GLU A 114 5.868 6.968 10.426 1.00 2.63 O ATOM 1489 OE2 GLU A 114 7.762 8.059 10.301 1.00 2.70 O ATOM 0 H GLU A 114 7.822 8.690 6.300 1.00 0.57 H new ATOM 0 HA GLU A 114 7.644 6.377 7.919 1.00 0.60 H new ATOM 0 HB2 GLU A 114 5.557 8.137 6.598 1.00 0.73 H new ATOM 0 HB3 GLU A 114 5.160 6.837 7.704 1.00 0.73 H new ATOM 0 HG2 GLU A 114 6.848 9.279 8.348 1.00 1.18 H new ATOM 0 HG3 GLU A 114 5.190 9.009 8.849 1.00 1.18 H new ATOM 1496 N ALA A 115 6.764 6.059 4.766 1.00 0.55 N ATOM 1497 CA ALA A 115 6.494 5.074 3.727 1.00 0.58 C ATOM 1498 C ALA A 115 7.567 3.992 3.728 1.00 0.51 C ATOM 1499 O ALA A 115 7.265 2.801 3.805 1.00 0.51 O ATOM 1500 CB ALA A 115 6.415 5.748 2.364 1.00 0.70 C ATOM 0 H ALA A 115 6.871 7.015 4.425 1.00 0.55 H new ATOM 0 HA ALA A 115 5.532 4.605 3.935 1.00 0.58 H new ATOM 0 HB1 ALA A 115 6.213 4.999 1.599 1.00 0.70 H new ATOM 0 HB2 ALA A 115 5.613 6.487 2.369 1.00 0.70 H new ATOM 0 HB3 ALA A 115 7.362 6.242 2.147 1.00 0.70 H new ATOM 1506 N LYS A 116 8.820 4.422 3.680 1.00 0.51 N ATOM 1507 CA LYS A 116 9.956 3.506 3.693 1.00 0.51 C ATOM 1508 C LYS A 116 10.002 2.729 5.005 1.00 0.44 C ATOM 1509 O LYS A 116 10.405 1.564 5.039 1.00 0.49 O ATOM 1510 CB LYS A 116 11.248 4.297 3.494 1.00 0.64 C ATOM 1511 CG LYS A 116 11.252 5.107 2.208 1.00 1.38 C ATOM 1512 CD LYS A 116 12.255 6.247 2.258 1.00 1.43 C ATOM 1513 CE LYS A 116 13.691 5.752 2.226 1.00 1.80 C ATOM 1514 NZ LYS A 116 14.655 6.883 2.226 1.00 2.33 N ATOM 0 H LYS A 116 9.079 5.407 3.631 1.00 0.51 H new ATOM 0 HA LYS A 116 9.846 2.789 2.880 1.00 0.51 H new ATOM 0 HB2 LYS A 116 11.392 4.968 4.341 1.00 0.64 H new ATOM 0 HB3 LYS A 116 12.093 3.608 3.486 1.00 0.64 H new ATOM 0 HG2 LYS A 116 11.487 4.453 1.368 1.00 1.38 H new ATOM 0 HG3 LYS A 116 10.255 5.509 2.029 1.00 1.38 H new ATOM 0 HD2 LYS A 116 12.084 6.916 1.414 1.00 1.43 H new ATOM 0 HD3 LYS A 116 12.094 6.830 3.165 1.00 1.43 H new ATOM 0 HE2 LYS A 116 13.877 5.114 3.090 1.00 1.80 H new ATOM 0 HE3 LYS A 116 13.847 5.139 1.338 1.00 1.80 H new ATOM 0 HZ1 LYS A 116 15.614 6.522 2.051 1.00 2.33 H new ATOM 0 HZ2 LYS A 116 14.398 7.559 1.478 1.00 2.33 H new ATOM 0 HZ3 LYS A 116 14.629 7.362 3.149 1.00 2.33 H new ATOM 1528 N ARG A 117 9.580 3.392 6.076 1.00 0.42 N ATOM 1529 CA ARG A 117 9.500 2.782 7.397 1.00 0.44 C ATOM 1530 C ARG A 117 8.599 1.554 7.374 1.00 0.43 C ATOM 1531 O ARG A 117 9.021 0.451 7.726 1.00 0.50 O ATOM 1532 CB ARG A 117 8.947 3.795 8.401 1.00 0.57 C ATOM 1533 CG ARG A 117 8.729 3.238 9.797 1.00 0.90 C ATOM 1534 CD ARG A 117 7.778 4.117 10.591 1.00 1.39 C ATOM 1535 NE ARG A 117 7.743 3.753 12.004 1.00 1.99 N ATOM 1536 CZ ARG A 117 7.154 4.479 12.953 1.00 2.83 C ATOM 1537 NH1 ARG A 117 6.525 5.610 12.648 1.00 3.30 N ATOM 1538 NH2 ARG A 117 7.200 4.068 14.213 1.00 3.61 N ATOM 0 H ARG A 117 9.284 4.368 6.052 1.00 0.42 H new ATOM 0 HA ARG A 117 10.503 2.475 7.693 1.00 0.44 H new ATOM 0 HB2 ARG A 117 9.634 4.639 8.463 1.00 0.57 H new ATOM 0 HB3 ARG A 117 8.000 4.181 8.025 1.00 0.57 H new ATOM 0 HG2 ARG A 117 8.326 2.227 9.730 1.00 0.90 H new ATOM 0 HG3 ARG A 117 9.684 3.167 10.317 1.00 0.90 H new ATOM 0 HD2 ARG A 117 8.082 5.159 10.493 1.00 1.39 H new ATOM 0 HD3 ARG A 117 6.775 4.036 10.172 1.00 1.39 H new ATOM 0 HE ARG A 117 8.200 2.885 12.283 1.00 1.99 H new ATOM 0 HH11 ARG A 117 6.490 5.929 11.680 1.00 3.30 H new ATOM 0 HH12 ARG A 117 6.077 6.158 13.382 1.00 3.30 H new ATOM 0 HH21 ARG A 117 7.684 3.202 14.450 1.00 3.61 H new ATOM 0 HH22 ARG A 117 6.752 4.618 14.946 1.00 3.61 H new ATOM 1552 N TRP A 118 7.358 1.752 6.945 1.00 0.43 N ATOM 1553 CA TRP A 118 6.369 0.688 6.970 1.00 0.51 C ATOM 1554 C TRP A 118 6.739 -0.426 6.001 1.00 0.51 C ATOM 1555 O TRP A 118 6.526 -1.601 6.288 1.00 0.60 O ATOM 1556 CB TRP A 118 4.977 1.229 6.648 1.00 0.59 C ATOM 1557 CG TRP A 118 4.522 2.283 7.608 1.00 0.89 C ATOM 1558 CD1 TRP A 118 4.063 3.524 7.294 1.00 0.98 C ATOM 1559 CD2 TRP A 118 4.499 2.195 9.039 1.00 1.69 C ATOM 1560 NE1 TRP A 118 3.755 4.219 8.434 1.00 1.51 N ATOM 1561 CE2 TRP A 118 4.013 3.426 9.520 1.00 2.00 C ATOM 1562 CE3 TRP A 118 4.841 1.200 9.961 1.00 2.34 C ATOM 1563 CZ2 TRP A 118 3.861 3.686 10.877 1.00 2.83 C ATOM 1564 CZ3 TRP A 118 4.688 1.460 11.307 1.00 3.18 C ATOM 1565 CH2 TRP A 118 4.202 2.694 11.755 1.00 3.39 C ATOM 0 H TRP A 118 7.016 2.639 6.577 1.00 0.43 H new ATOM 0 HA TRP A 118 6.354 0.274 7.978 1.00 0.51 H new ATOM 0 HB2 TRP A 118 4.978 1.641 5.639 1.00 0.59 H new ATOM 0 HB3 TRP A 118 4.263 0.406 6.656 1.00 0.59 H new ATOM 0 HD1 TRP A 118 3.956 3.907 6.290 1.00 0.98 H new ATOM 0 HE1 TRP A 118 3.393 5.172 8.468 1.00 1.51 H new ATOM 0 HE3 TRP A 118 5.218 0.245 9.625 1.00 2.34 H new ATOM 0 HZ2 TRP A 118 3.487 4.637 11.226 1.00 2.83 H new ATOM 0 HZ3 TRP A 118 4.948 0.699 12.028 1.00 3.18 H new ATOM 0 HH2 TRP A 118 4.094 2.866 12.816 1.00 3.39 H new ATOM 1576 N ILE A 119 7.309 -0.054 4.862 1.00 0.48 N ATOM 1577 CA ILE A 119 7.769 -1.032 3.883 1.00 0.54 C ATOM 1578 C ILE A 119 8.757 -2.006 4.525 1.00 0.53 C ATOM 1579 O ILE A 119 8.726 -3.205 4.257 1.00 0.58 O ATOM 1580 CB ILE A 119 8.418 -0.342 2.660 1.00 0.60 C ATOM 1581 CG1 ILE A 119 7.358 0.430 1.869 1.00 0.67 C ATOM 1582 CG2 ILE A 119 9.117 -1.357 1.766 1.00 0.69 C ATOM 1583 CD1 ILE A 119 7.914 1.216 0.701 1.00 0.81 C ATOM 0 H ILE A 119 7.464 0.918 4.593 1.00 0.48 H new ATOM 0 HA ILE A 119 6.899 -1.588 3.534 1.00 0.54 H new ATOM 0 HB ILE A 119 9.170 0.359 3.021 1.00 0.60 H new ATOM 0 HG12 ILE A 119 6.612 -0.273 1.499 1.00 0.67 H new ATOM 0 HG13 ILE A 119 6.844 1.115 2.543 1.00 0.67 H new ATOM 0 HG21 ILE A 119 9.564 -0.845 0.914 1.00 0.69 H new ATOM 0 HG22 ILE A 119 9.896 -1.866 2.333 1.00 0.69 H new ATOM 0 HG23 ILE A 119 8.392 -2.088 1.409 1.00 0.69 H new ATOM 0 HD11 ILE A 119 7.102 1.735 0.192 1.00 0.81 H new ATOM 0 HD12 ILE A 119 8.638 1.945 1.065 1.00 0.81 H new ATOM 0 HD13 ILE A 119 8.403 0.535 0.004 1.00 0.81 H new ATOM 1595 N LYS A 120 9.609 -1.485 5.397 1.00 0.52 N ATOM 1596 CA LYS A 120 10.570 -2.312 6.112 1.00 0.57 C ATOM 1597 C LYS A 120 9.879 -3.100 7.227 1.00 0.56 C ATOM 1598 O LYS A 120 10.106 -4.298 7.388 1.00 0.61 O ATOM 1599 CB LYS A 120 11.690 -1.438 6.691 1.00 0.66 C ATOM 1600 CG LYS A 120 12.742 -2.212 7.476 1.00 1.08 C ATOM 1601 CD LYS A 120 13.451 -3.248 6.614 1.00 1.68 C ATOM 1602 CE LYS A 120 14.303 -2.604 5.532 1.00 2.25 C ATOM 1603 NZ LYS A 120 15.440 -1.835 6.101 1.00 2.76 N ATOM 0 H LYS A 120 9.654 -0.492 5.626 1.00 0.52 H new ATOM 0 HA LYS A 120 11.006 -3.023 5.410 1.00 0.57 H new ATOM 0 HB2 LYS A 120 12.180 -0.906 5.875 1.00 0.66 H new ATOM 0 HB3 LYS A 120 11.248 -0.684 7.343 1.00 0.66 H new ATOM 0 HG2 LYS A 120 13.476 -1.516 7.883 1.00 1.08 H new ATOM 0 HG3 LYS A 120 12.269 -2.708 8.324 1.00 1.08 H new ATOM 0 HD2 LYS A 120 14.080 -3.875 7.245 1.00 1.68 H new ATOM 0 HD3 LYS A 120 12.712 -3.902 6.152 1.00 1.68 H new ATOM 0 HE2 LYS A 120 14.686 -3.376 4.865 1.00 2.25 H new ATOM 0 HE3 LYS A 120 13.683 -1.941 4.929 1.00 2.25 H new ATOM 0 HZ1 LYS A 120 16.105 -1.585 5.341 1.00 2.76 H new ATOM 0 HZ2 LYS A 120 15.083 -0.967 6.548 1.00 2.76 H new ATOM 0 HZ3 LYS A 120 15.929 -2.414 6.813 1.00 2.76 H new ATOM 1617 N GLU A 121 9.016 -2.421 7.972 1.00 0.56 N ATOM 1618 CA GLU A 121 8.325 -3.024 9.110 1.00 0.63 C ATOM 1619 C GLU A 121 7.443 -4.199 8.676 1.00 0.67 C ATOM 1620 O GLU A 121 7.399 -5.236 9.339 1.00 0.79 O ATOM 1621 CB GLU A 121 7.470 -1.964 9.812 1.00 0.71 C ATOM 1622 CG GLU A 121 6.820 -2.445 11.100 1.00 1.18 C ATOM 1623 CD GLU A 121 7.833 -2.768 12.178 1.00 1.87 C ATOM 1624 OE1 GLU A 121 8.325 -1.827 12.833 1.00 2.50 O ATOM 1625 OE2 GLU A 121 8.136 -3.961 12.381 1.00 2.57 O ATOM 0 H GLU A 121 8.775 -1.444 7.808 1.00 0.56 H new ATOM 0 HA GLU A 121 9.078 -3.408 9.798 1.00 0.63 H new ATOM 0 HB2 GLU A 121 8.094 -1.098 10.034 1.00 0.71 H new ATOM 0 HB3 GLU A 121 6.691 -1.629 9.127 1.00 0.71 H new ATOM 0 HG2 GLU A 121 6.137 -1.678 11.466 1.00 1.18 H new ATOM 0 HG3 GLU A 121 6.222 -3.332 10.891 1.00 1.18 H new ATOM 1632 N PHE A 122 6.747 -4.037 7.561 1.00 0.65 N ATOM 1633 CA PHE A 122 5.807 -5.049 7.091 1.00 0.76 C ATOM 1634 C PHE A 122 6.498 -6.172 6.321 1.00 0.78 C ATOM 1635 O PHE A 122 5.908 -7.232 6.105 1.00 0.89 O ATOM 1636 CB PHE A 122 4.700 -4.410 6.247 1.00 0.86 C ATOM 1637 CG PHE A 122 3.699 -3.647 7.073 1.00 1.36 C ATOM 1638 CD1 PHE A 122 2.630 -4.301 7.659 1.00 2.24 C ATOM 1639 CD2 PHE A 122 3.834 -2.283 7.273 1.00 1.98 C ATOM 1640 CE1 PHE A 122 1.712 -3.609 8.424 1.00 2.95 C ATOM 1641 CE2 PHE A 122 2.918 -1.585 8.037 1.00 2.74 C ATOM 1642 CZ PHE A 122 1.857 -2.249 8.615 1.00 3.02 C ATOM 0 H PHE A 122 6.814 -3.214 6.962 1.00 0.65 H new ATOM 0 HA PHE A 122 5.356 -5.501 7.974 1.00 0.76 H new ATOM 0 HB2 PHE A 122 5.150 -3.737 5.517 1.00 0.86 H new ATOM 0 HB3 PHE A 122 4.183 -5.188 5.686 1.00 0.86 H new ATOM 0 HD1 PHE A 122 2.512 -5.365 7.517 1.00 2.24 H new ATOM 0 HD2 PHE A 122 4.666 -1.758 6.826 1.00 1.98 H new ATOM 0 HE1 PHE A 122 0.880 -4.132 8.873 1.00 2.95 H new ATOM 0 HE2 PHE A 122 3.033 -0.521 8.181 1.00 2.74 H new ATOM 0 HZ PHE A 122 1.141 -1.707 9.215 1.00 3.02 H new ATOM 1652 N SER A 123 7.732 -5.944 5.893 1.00 0.72 N ATOM 1653 CA SER A 123 8.493 -6.986 5.215 1.00 0.79 C ATOM 1654 C SER A 123 9.293 -7.807 6.224 1.00 0.81 C ATOM 1655 O SER A 123 9.469 -9.016 6.058 1.00 1.02 O ATOM 1656 CB SER A 123 9.415 -6.378 4.155 1.00 0.82 C ATOM 1657 OG SER A 123 10.203 -5.332 4.696 1.00 1.40 O ATOM 0 H SER A 123 8.224 -5.057 6.001 1.00 0.72 H new ATOM 0 HA SER A 123 7.792 -7.652 4.712 1.00 0.79 H new ATOM 0 HB2 SER A 123 10.065 -7.153 3.748 1.00 0.82 H new ATOM 0 HB3 SER A 123 8.818 -5.995 3.327 1.00 0.82 H new ATOM 0 HG SER A 123 9.937 -4.480 4.292 1.00 1.40 H new ATOM 1663 N GLU A 124 9.772 -7.141 7.271 1.00 0.80 N ATOM 1664 CA GLU A 124 10.500 -7.813 8.339 1.00 1.00 C ATOM 1665 C GLU A 124 9.530 -8.587 9.227 1.00 1.48 C ATOM 1666 O GLU A 124 9.841 -9.688 9.688 1.00 2.09 O ATOM 1667 CB GLU A 124 11.286 -6.797 9.169 1.00 1.88 C ATOM 1668 CG GLU A 124 12.238 -7.432 10.167 1.00 2.61 C ATOM 1669 CD GLU A 124 13.272 -8.310 9.495 1.00 3.54 C ATOM 1670 OE1 GLU A 124 13.044 -9.532 9.390 1.00 4.12 O ATOM 1671 OE2 GLU A 124 14.319 -7.780 9.062 1.00 4.14 O ATOM 0 H GLU A 124 9.668 -6.135 7.401 1.00 0.80 H new ATOM 0 HA GLU A 124 11.206 -8.515 7.895 1.00 1.00 H new ATOM 0 HB2 GLU A 124 11.854 -6.153 8.497 1.00 1.88 H new ATOM 0 HB3 GLU A 124 10.584 -6.158 9.705 1.00 1.88 H new ATOM 0 HG2 GLU A 124 12.742 -6.649 10.734 1.00 2.61 H new ATOM 0 HG3 GLU A 124 11.669 -8.026 10.881 1.00 2.61 H new