USER MOD reduce.3.24.130724 H: found=0, std=0, add=869, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 869 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 75 LYS NZ :NH3+ -176:sc= 1.25 (180deg=-0.039) USER MOD Set 1.2: A 103 ASN : amide:sc= -0.678! C(o=0.57!,f=-6.1!) USER MOD Single : A 21 MET CE :methyl 156:sc= -0.169 (180deg=-0.78) USER MOD Single : A 29 SER OG : rot 37:sc= 1.24 USER MOD Single : A 30 ASN : amide:sc= -2.95! C(o=-3!,f=-3.6!) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ -143:sc= 0.321 (180deg=-1.19!) USER MOD Single : A 40 LYS NZ :NH3+ 176:sc= 0.26 (180deg=0.00461) USER MOD Single : A 41 MET CE :methyl -171:sc= 0 (180deg=-0.175) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc= -0.306 K(o=-0.31,f=-1.1) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0.0195 USER MOD Single : A 64 GLN : amide:sc= -0.271 K(o=-0.27,f=-1.2) USER MOD Single : A 69 LYS NZ :NH3+ 154:sc= -1.4 (180deg=-2.23!) USER MOD Single : A 81 THR OG1 : rot 36:sc= 0.983 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 71:sc= 0.944 USER MOD Single : A 91 LYS NZ :NH3+ 171:sc= -0.0308 (180deg=-0.186) USER MOD Single : A 93 LYS NZ :NH3+ -163:sc= -0.0367 (180deg=-0.347) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 LYS NZ :NH3+ -169:sc= -0.009 (180deg=-0.129) USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 THR OG1 : rot 21:sc= 1.17 USER MOD Single : A 111 SER OG : rot -48:sc= 0.416 USER MOD Single : A 116 LYS NZ :NH3+ -132:sc= -0.258 (180deg=-1.65) USER MOD Single : A 120 LYS NZ :NH3+ 161:sc= 0.107 (180deg=-0.217) USER MOD Single : A 123 SER OG : rot 72:sc= 0.0128 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 21 5.278 -16.715 -1.561 1.00 1.82 N ATOM 2 CA MET A 21 5.226 -15.522 -0.686 1.00 1.48 C ATOM 3 C MET A 21 4.602 -14.355 -1.432 1.00 1.22 C ATOM 4 O MET A 21 5.169 -13.858 -2.403 1.00 1.47 O ATOM 5 CB MET A 21 6.632 -15.134 -0.216 1.00 1.86 C ATOM 6 CG MET A 21 6.654 -13.895 0.672 1.00 1.95 C ATOM 7 SD MET A 21 8.325 -13.329 1.058 1.00 2.87 S ATOM 8 CE MET A 21 8.928 -12.902 -0.576 1.00 3.09 C ATOM 0 HA MET A 21 4.617 -15.764 0.185 1.00 1.48 H new ATOM 0 HB2 MET A 21 7.068 -15.971 0.330 1.00 1.86 H new ATOM 0 HB3 MET A 21 7.263 -14.958 -1.088 1.00 1.86 H new ATOM 0 HG2 MET A 21 6.110 -13.091 0.177 1.00 1.95 H new ATOM 0 HG3 MET A 21 6.127 -14.112 1.601 1.00 1.95 H new ATOM 0 HE1 MET A 21 9.730 -12.170 -0.488 1.00 3.09 H new ATOM 0 HE2 MET A 21 9.306 -13.797 -1.070 1.00 3.09 H new ATOM 0 HE3 MET A 21 8.114 -12.479 -1.165 1.00 3.09 H new ATOM 17 N ARG A 22 3.435 -13.918 -0.986 1.00 0.88 N ATOM 18 CA ARG A 22 2.756 -12.812 -1.634 1.00 0.73 C ATOM 19 C ARG A 22 2.626 -11.630 -0.682 1.00 0.55 C ATOM 20 O ARG A 22 1.643 -11.499 0.046 1.00 0.56 O ATOM 21 CB ARG A 22 1.377 -13.250 -2.140 1.00 0.86 C ATOM 22 CG ARG A 22 1.432 -14.396 -3.142 1.00 1.33 C ATOM 23 CD ARG A 22 2.173 -14.002 -4.409 1.00 1.33 C ATOM 24 NE ARG A 22 2.376 -15.142 -5.302 1.00 1.91 N ATOM 25 CZ ARG A 22 2.722 -15.034 -6.584 1.00 2.43 C ATOM 26 NH1 ARG A 22 2.884 -13.839 -7.137 1.00 2.62 N ATOM 27 NH2 ARG A 22 2.911 -16.128 -7.310 1.00 3.31 N ATOM 0 H ARG A 22 2.943 -14.310 -0.183 1.00 0.88 H new ATOM 0 HA ARG A 22 3.353 -12.498 -2.490 1.00 0.73 H new ATOM 0 HB2 ARG A 22 0.766 -13.551 -1.289 1.00 0.86 H new ATOM 0 HB3 ARG A 22 0.881 -12.397 -2.603 1.00 0.86 H new ATOM 0 HG2 ARG A 22 1.924 -15.255 -2.685 1.00 1.33 H new ATOM 0 HG3 ARG A 22 0.418 -14.707 -3.395 1.00 1.33 H new ATOM 0 HD2 ARG A 22 1.611 -13.228 -4.932 1.00 1.33 H new ATOM 0 HD3 ARG A 22 3.139 -13.572 -4.145 1.00 1.33 H new ATOM 0 HE ARG A 22 2.244 -16.078 -4.919 1.00 1.91 H new ATOM 0 HH11 ARG A 22 2.744 -12.996 -6.580 1.00 2.62 H new ATOM 0 HH12 ARG A 22 3.149 -13.763 -8.119 1.00 2.62 H new ATOM 0 HH21 ARG A 22 2.791 -17.048 -6.886 1.00 3.31 H new ATOM 0 HH22 ARG A 22 3.176 -16.049 -8.292 1.00 3.31 H new ATOM 41 N LEU A 23 3.636 -10.779 -0.687 1.00 0.51 N ATOM 42 CA LEU A 23 3.607 -9.545 0.080 1.00 0.43 C ATOM 43 C LEU A 23 3.581 -8.369 -0.879 1.00 0.37 C ATOM 44 O LEU A 23 4.539 -8.138 -1.622 1.00 0.40 O ATOM 45 CB LEU A 23 4.816 -9.459 1.011 1.00 0.58 C ATOM 46 CG LEU A 23 4.893 -10.547 2.082 1.00 1.05 C ATOM 47 CD1 LEU A 23 6.170 -10.405 2.893 1.00 1.76 C ATOM 48 CD2 LEU A 23 3.675 -10.485 2.992 1.00 1.55 C ATOM 0 H LEU A 23 4.495 -10.921 -1.219 1.00 0.51 H new ATOM 0 HA LEU A 23 2.711 -9.525 0.701 1.00 0.43 H new ATOM 0 HB2 LEU A 23 5.723 -9.501 0.407 1.00 0.58 H new ATOM 0 HB3 LEU A 23 4.806 -8.487 1.504 1.00 0.58 H new ATOM 0 HG LEU A 23 4.905 -11.518 1.587 1.00 1.05 H new ATOM 0 HD11 LEU A 23 6.209 -11.187 3.651 1.00 1.76 H new ATOM 0 HD12 LEU A 23 7.032 -10.496 2.233 1.00 1.76 H new ATOM 0 HD13 LEU A 23 6.186 -9.429 3.378 1.00 1.76 H new ATOM 0 HD21 LEU A 23 3.746 -11.266 3.749 1.00 1.55 H new ATOM 0 HD22 LEU A 23 3.634 -9.511 3.479 1.00 1.55 H new ATOM 0 HD23 LEU A 23 2.771 -10.633 2.401 1.00 1.55 H new ATOM 60 N VAL A 24 2.478 -7.645 -0.870 1.00 0.35 N ATOM 61 CA VAL A 24 2.212 -6.643 -1.887 1.00 0.37 C ATOM 62 C VAL A 24 2.095 -5.250 -1.280 1.00 0.38 C ATOM 63 O VAL A 24 1.621 -5.091 -0.158 1.00 0.42 O ATOM 64 CB VAL A 24 0.912 -6.997 -2.641 1.00 0.42 C ATOM 65 CG1 VAL A 24 0.644 -6.013 -3.772 1.00 0.46 C ATOM 66 CG2 VAL A 24 0.987 -8.423 -3.172 1.00 0.45 C ATOM 0 H VAL A 24 1.746 -7.733 -0.165 1.00 0.35 H new ATOM 0 HA VAL A 24 3.051 -6.637 -2.583 1.00 0.37 H new ATOM 0 HB VAL A 24 0.080 -6.927 -1.940 1.00 0.42 H new ATOM 0 HG11 VAL A 24 -0.278 -6.289 -4.284 1.00 0.46 H new ATOM 0 HG12 VAL A 24 0.545 -5.007 -3.363 1.00 0.46 H new ATOM 0 HG13 VAL A 24 1.473 -6.037 -4.479 1.00 0.46 H new ATOM 0 HG21 VAL A 24 0.065 -8.663 -3.702 1.00 0.45 H new ATOM 0 HG22 VAL A 24 1.832 -8.513 -3.854 1.00 0.45 H new ATOM 0 HG23 VAL A 24 1.117 -9.115 -2.340 1.00 0.45 H new ATOM 76 N VAL A 25 2.543 -4.248 -2.026 1.00 0.39 N ATOM 77 CA VAL A 25 2.444 -2.864 -1.594 1.00 0.41 C ATOM 78 C VAL A 25 1.749 -2.024 -2.664 1.00 0.39 C ATOM 79 O VAL A 25 2.193 -1.972 -3.813 1.00 0.42 O ATOM 80 CB VAL A 25 3.833 -2.252 -1.297 1.00 0.46 C ATOM 81 CG1 VAL A 25 3.695 -0.832 -0.764 1.00 0.51 C ATOM 82 CG2 VAL A 25 4.612 -3.118 -0.316 1.00 0.52 C ATOM 0 H VAL A 25 2.981 -4.372 -2.939 1.00 0.39 H new ATOM 0 HA VAL A 25 1.860 -2.856 -0.674 1.00 0.41 H new ATOM 0 HB VAL A 25 4.390 -2.215 -2.233 1.00 0.46 H new ATOM 0 HG11 VAL A 25 4.684 -0.421 -0.562 1.00 0.51 H new ATOM 0 HG12 VAL A 25 3.189 -0.213 -1.505 1.00 0.51 H new ATOM 0 HG13 VAL A 25 3.112 -0.844 0.157 1.00 0.51 H new ATOM 0 HG21 VAL A 25 5.585 -2.665 -0.124 1.00 0.52 H new ATOM 0 HG22 VAL A 25 4.058 -3.197 0.619 1.00 0.52 H new ATOM 0 HG23 VAL A 25 4.752 -4.112 -0.740 1.00 0.52 H new ATOM 92 N LEU A 26 0.660 -1.380 -2.276 1.00 0.40 N ATOM 93 CA LEU A 26 -0.074 -0.491 -3.163 1.00 0.38 C ATOM 94 C LEU A 26 0.183 0.956 -2.767 1.00 0.37 C ATOM 95 O LEU A 26 -0.250 1.401 -1.708 1.00 0.48 O ATOM 96 CB LEU A 26 -1.582 -0.780 -3.109 1.00 0.46 C ATOM 97 CG LEU A 26 -2.143 -1.700 -4.206 1.00 0.56 C ATOM 98 CD1 LEU A 26 -1.845 -1.136 -5.583 1.00 1.15 C ATOM 99 CD2 LEU A 26 -1.602 -3.114 -4.086 1.00 1.33 C ATOM 0 H LEU A 26 0.261 -1.458 -1.341 1.00 0.40 H new ATOM 0 HA LEU A 26 0.273 -0.661 -4.182 1.00 0.38 H new ATOM 0 HB2 LEU A 26 -1.810 -1.225 -2.141 1.00 0.46 H new ATOM 0 HB3 LEU A 26 -2.114 0.170 -3.156 1.00 0.46 H new ATOM 0 HG LEU A 26 -3.224 -1.746 -4.071 1.00 0.56 H new ATOM 0 HD11 LEU A 26 -2.250 -1.802 -6.345 1.00 1.15 H new ATOM 0 HD12 LEU A 26 -2.304 -0.152 -5.680 1.00 1.15 H new ATOM 0 HD13 LEU A 26 -0.767 -1.048 -5.715 1.00 1.15 H new ATOM 0 HD21 LEU A 26 -2.022 -3.733 -4.879 1.00 1.33 H new ATOM 0 HD22 LEU A 26 -0.516 -3.097 -4.176 1.00 1.33 H new ATOM 0 HD23 LEU A 26 -1.879 -3.529 -3.117 1.00 1.33 H new ATOM 111 N ILE A 27 0.896 1.681 -3.609 1.00 0.33 N ATOM 112 CA ILE A 27 1.251 3.063 -3.317 1.00 0.36 C ATOM 113 C ILE A 27 0.583 4.006 -4.314 1.00 0.39 C ATOM 114 O ILE A 27 0.534 3.733 -5.516 1.00 0.40 O ATOM 115 CB ILE A 27 2.794 3.245 -3.319 1.00 0.44 C ATOM 116 CG1 ILE A 27 3.214 4.720 -3.222 1.00 0.93 C ATOM 117 CG2 ILE A 27 3.406 2.617 -4.562 1.00 1.32 C ATOM 118 CD1 ILE A 27 2.759 5.433 -1.968 1.00 1.36 C ATOM 0 H ILE A 27 1.243 1.337 -4.504 1.00 0.33 H new ATOM 0 HA ILE A 27 0.888 3.312 -2.320 1.00 0.36 H new ATOM 0 HB ILE A 27 3.169 2.737 -2.430 1.00 0.44 H new ATOM 0 HG12 ILE A 27 4.301 4.777 -3.280 1.00 0.93 H new ATOM 0 HG13 ILE A 27 2.820 5.252 -4.088 1.00 0.93 H new ATOM 0 HG21 ILE A 27 4.487 2.755 -4.545 1.00 1.32 H new ATOM 0 HG22 ILE A 27 3.177 1.552 -4.582 1.00 1.32 H new ATOM 0 HG23 ILE A 27 2.994 3.094 -5.451 1.00 1.32 H new ATOM 0 HD11 ILE A 27 3.104 6.467 -1.992 1.00 1.36 H new ATOM 0 HD12 ILE A 27 1.671 5.414 -1.913 1.00 1.36 H new ATOM 0 HD13 ILE A 27 3.175 4.932 -1.094 1.00 1.36 H new ATOM 130 N VAL A 28 0.044 5.102 -3.797 1.00 0.48 N ATOM 131 CA VAL A 28 -0.625 6.093 -4.622 1.00 0.56 C ATOM 132 C VAL A 28 0.385 7.123 -5.122 1.00 0.86 C ATOM 133 O VAL A 28 1.410 7.357 -4.486 1.00 1.37 O ATOM 134 CB VAL A 28 -1.757 6.801 -3.839 1.00 0.77 C ATOM 135 CG1 VAL A 28 -2.793 5.793 -3.369 1.00 1.12 C ATOM 136 CG2 VAL A 28 -1.202 7.583 -2.660 1.00 1.17 C ATOM 0 H VAL A 28 0.059 5.326 -2.802 1.00 0.48 H new ATOM 0 HA VAL A 28 -1.071 5.580 -5.474 1.00 0.56 H new ATOM 0 HB VAL A 28 -2.241 7.507 -4.514 1.00 0.77 H new ATOM 0 HG11 VAL A 28 -3.581 6.310 -2.821 1.00 1.12 H new ATOM 0 HG12 VAL A 28 -3.224 5.285 -4.232 1.00 1.12 H new ATOM 0 HG13 VAL A 28 -2.318 5.060 -2.717 1.00 1.12 H new ATOM 0 HG21 VAL A 28 -2.020 8.070 -2.129 1.00 1.17 H new ATOM 0 HG22 VAL A 28 -0.684 6.903 -1.984 1.00 1.17 H new ATOM 0 HG23 VAL A 28 -0.504 8.338 -3.021 1.00 1.17 H new ATOM 146 N SER A 29 0.095 7.718 -6.268 1.00 0.85 N ATOM 147 CA SER A 29 1.034 8.616 -6.925 1.00 1.25 C ATOM 148 C SER A 29 1.226 9.931 -6.173 1.00 0.83 C ATOM 149 O SER A 29 0.296 10.467 -5.566 1.00 1.53 O ATOM 150 CB SER A 29 0.578 8.912 -8.345 1.00 2.38 C ATOM 151 OG SER A 29 0.633 7.751 -9.160 1.00 3.23 O ATOM 0 H SER A 29 -0.787 7.595 -6.765 1.00 0.85 H new ATOM 0 HA SER A 29 1.995 8.101 -6.937 1.00 1.25 H new ATOM 0 HB2 SER A 29 -0.441 9.299 -8.328 1.00 2.38 H new ATOM 0 HB3 SER A 29 1.207 9.691 -8.776 1.00 2.38 H new ATOM 0 HG SER A 29 0.377 6.967 -8.631 1.00 3.23 H new ATOM 157 N ASN A 30 2.449 10.439 -6.261 1.00 1.19 N ATOM 158 CA ASN A 30 2.861 11.687 -5.631 1.00 1.67 C ATOM 159 C ASN A 30 4.288 11.973 -6.067 1.00 1.19 C ATOM 160 O ASN A 30 4.761 11.323 -7.002 1.00 1.38 O ATOM 161 CB ASN A 30 2.754 11.612 -4.104 1.00 2.93 C ATOM 162 CG ASN A 30 3.722 10.626 -3.470 1.00 3.86 C ATOM 163 OD1 ASN A 30 3.451 9.430 -3.403 1.00 4.32 O ATOM 164 ND2 ASN A 30 4.838 11.126 -2.964 1.00 4.58 N ATOM 0 H ASN A 30 3.198 9.985 -6.784 1.00 1.19 H new ATOM 0 HA ASN A 30 2.200 12.495 -5.943 1.00 1.67 H new ATOM 0 HB2 ASN A 30 2.934 12.603 -3.687 1.00 2.93 H new ATOM 0 HB3 ASN A 30 1.736 11.333 -3.833 1.00 2.93 H new ATOM 0 HD21 ASN A 30 5.507 10.512 -2.499 1.00 4.58 H new ATOM 0 HD22 ASN A 30 5.029 12.125 -3.039 1.00 4.58 H new ATOM 171 N ASP A 31 4.934 12.975 -5.462 1.00 1.45 N ATOM 172 CA ASP A 31 6.353 13.262 -5.720 1.00 1.18 C ATOM 173 C ASP A 31 7.139 11.971 -5.962 1.00 0.94 C ATOM 174 O ASP A 31 7.226 11.104 -5.088 1.00 1.28 O ATOM 175 CB ASP A 31 6.961 14.035 -4.546 1.00 1.61 C ATOM 176 CG ASP A 31 8.455 14.251 -4.696 1.00 1.74 C ATOM 177 OD1 ASP A 31 8.862 15.106 -5.514 1.00 2.03 O ATOM 178 OD2 ASP A 31 9.230 13.576 -3.992 1.00 2.29 O ATOM 0 H ASP A 31 4.497 13.604 -4.788 1.00 1.45 H new ATOM 0 HA ASP A 31 6.415 13.875 -6.619 1.00 1.18 H new ATOM 0 HB2 ASP A 31 6.466 15.002 -4.458 1.00 1.61 H new ATOM 0 HB3 ASP A 31 6.768 13.492 -3.621 1.00 1.61 H new ATOM 183 N LYS A 32 7.703 11.860 -7.162 1.00 0.79 N ATOM 184 CA LYS A 32 8.275 10.606 -7.647 1.00 0.82 C ATOM 185 C LYS A 32 9.424 10.114 -6.775 1.00 0.66 C ATOM 186 O LYS A 32 9.716 8.919 -6.749 1.00 0.68 O ATOM 187 CB LYS A 32 8.748 10.766 -9.092 1.00 1.24 C ATOM 188 CG LYS A 32 7.640 11.175 -10.052 1.00 1.77 C ATOM 189 CD LYS A 32 8.135 11.257 -11.488 1.00 2.22 C ATOM 190 CE LYS A 32 9.246 12.285 -11.648 1.00 3.17 C ATOM 191 NZ LYS A 32 9.692 12.404 -13.062 1.00 3.77 N ATOM 0 H LYS A 32 7.777 12.633 -7.823 1.00 0.79 H new ATOM 0 HA LYS A 32 7.487 9.855 -7.599 1.00 0.82 H new ATOM 0 HB2 LYS A 32 9.541 11.513 -9.126 1.00 1.24 H new ATOM 0 HB3 LYS A 32 9.182 9.825 -9.430 1.00 1.24 H new ATOM 0 HG2 LYS A 32 6.823 10.456 -9.990 1.00 1.77 H new ATOM 0 HG3 LYS A 32 7.238 12.142 -9.751 1.00 1.77 H new ATOM 0 HD2 LYS A 32 8.498 10.279 -11.803 1.00 2.22 H new ATOM 0 HD3 LYS A 32 7.304 11.516 -12.144 1.00 2.22 H new ATOM 0 HE2 LYS A 32 8.897 13.255 -11.295 1.00 3.17 H new ATOM 0 HE3 LYS A 32 10.093 12.004 -11.022 1.00 3.17 H new ATOM 0 HZ1 LYS A 32 10.449 13.114 -13.129 1.00 3.77 H new ATOM 0 HZ2 LYS A 32 10.049 11.485 -13.392 1.00 3.77 H new ATOM 0 HZ3 LYS A 32 8.890 12.697 -13.656 1.00 3.77 H new ATOM 205 N LYS A 33 10.069 11.030 -6.061 1.00 0.71 N ATOM 206 CA LYS A 33 11.155 10.668 -5.159 1.00 0.75 C ATOM 207 C LYS A 33 10.674 9.645 -4.134 1.00 0.68 C ATOM 208 O LYS A 33 11.313 8.614 -3.926 1.00 0.78 O ATOM 209 CB LYS A 33 11.692 11.912 -4.450 1.00 0.95 C ATOM 210 CG LYS A 33 12.840 11.630 -3.494 1.00 1.45 C ATOM 211 CD LYS A 33 13.351 12.894 -2.811 1.00 1.86 C ATOM 212 CE LYS A 33 12.337 13.485 -1.835 1.00 2.71 C ATOM 213 NZ LYS A 33 11.347 14.379 -2.501 1.00 3.23 N ATOM 0 H LYS A 33 9.859 12.028 -6.090 1.00 0.71 H new ATOM 0 HA LYS A 33 11.960 10.224 -5.745 1.00 0.75 H new ATOM 0 HB2 LYS A 33 12.025 12.630 -5.200 1.00 0.95 H new ATOM 0 HB3 LYS A 33 10.879 12.382 -3.897 1.00 0.95 H new ATOM 0 HG2 LYS A 33 12.512 10.918 -2.737 1.00 1.45 H new ATOM 0 HG3 LYS A 33 13.657 11.160 -4.041 1.00 1.45 H new ATOM 0 HD2 LYS A 33 14.274 12.666 -2.277 1.00 1.86 H new ATOM 0 HD3 LYS A 33 13.597 13.638 -3.569 1.00 1.86 H new ATOM 0 HE2 LYS A 33 11.808 12.675 -1.333 1.00 2.71 H new ATOM 0 HE3 LYS A 33 12.866 14.046 -1.064 1.00 2.71 H new ATOM 0 HZ1 LYS A 33 11.127 15.180 -1.876 1.00 3.23 H new ATOM 0 HZ2 LYS A 33 11.746 14.735 -3.393 1.00 3.23 H new ATOM 0 HZ3 LYS A 33 10.476 13.846 -2.700 1.00 3.23 H new ATOM 227 N LEU A 34 9.528 9.925 -3.520 1.00 0.61 N ATOM 228 CA LEU A 34 8.951 9.027 -2.526 1.00 0.64 C ATOM 229 C LEU A 34 8.594 7.691 -3.161 1.00 0.53 C ATOM 230 O LEU A 34 8.860 6.636 -2.585 1.00 0.62 O ATOM 231 CB LEU A 34 7.714 9.665 -1.878 1.00 0.70 C ATOM 232 CG LEU A 34 6.978 8.803 -0.839 1.00 0.82 C ATOM 233 CD1 LEU A 34 6.346 9.683 0.225 1.00 1.39 C ATOM 234 CD2 LEU A 34 5.903 7.948 -1.498 1.00 1.38 C ATOM 0 H LEU A 34 8.980 10.768 -3.694 1.00 0.61 H new ATOM 0 HA LEU A 34 9.693 8.851 -1.747 1.00 0.64 H new ATOM 0 HB2 LEU A 34 8.018 10.596 -1.399 1.00 0.70 H new ATOM 0 HB3 LEU A 34 7.010 9.928 -2.667 1.00 0.70 H new ATOM 0 HG LEU A 34 7.711 8.143 -0.375 1.00 0.82 H new ATOM 0 HD11 LEU A 34 5.829 9.059 0.953 1.00 1.39 H new ATOM 0 HD12 LEU A 34 7.122 10.260 0.728 1.00 1.39 H new ATOM 0 HD13 LEU A 34 5.633 10.363 -0.241 1.00 1.39 H new ATOM 0 HD21 LEU A 34 5.399 7.349 -0.740 1.00 1.38 H new ATOM 0 HD22 LEU A 34 5.177 8.594 -1.992 1.00 1.38 H new ATOM 0 HD23 LEU A 34 6.363 7.289 -2.234 1.00 1.38 H new ATOM 246 N ILE A 35 8.002 7.747 -4.354 1.00 0.43 N ATOM 247 CA ILE A 35 7.621 6.539 -5.079 1.00 0.43 C ATOM 248 C ILE A 35 8.834 5.630 -5.259 1.00 0.46 C ATOM 249 O ILE A 35 8.769 4.429 -4.999 1.00 0.52 O ATOM 250 CB ILE A 35 7.014 6.863 -6.468 1.00 0.47 C ATOM 251 CG1 ILE A 35 5.746 7.722 -6.334 1.00 0.57 C ATOM 252 CG2 ILE A 35 6.701 5.578 -7.225 1.00 0.61 C ATOM 253 CD1 ILE A 35 5.147 8.127 -7.666 1.00 0.97 C ATOM 0 H ILE A 35 7.777 8.617 -4.837 1.00 0.43 H new ATOM 0 HA ILE A 35 6.859 6.033 -4.486 1.00 0.43 H new ATOM 0 HB ILE A 35 7.753 7.434 -7.031 1.00 0.47 H new ATOM 0 HG12 ILE A 35 5.001 7.169 -5.763 1.00 0.57 H new ATOM 0 HG13 ILE A 35 5.983 8.620 -5.763 1.00 0.57 H new ATOM 0 HG21 ILE A 35 6.276 5.823 -8.198 1.00 0.61 H new ATOM 0 HG22 ILE A 35 7.618 5.005 -7.364 1.00 0.61 H new ATOM 0 HG23 ILE A 35 5.985 4.985 -6.655 1.00 0.61 H new ATOM 0 HD11 ILE A 35 4.256 8.731 -7.496 1.00 0.97 H new ATOM 0 HD12 ILE A 35 5.876 8.708 -8.231 1.00 0.97 H new ATOM 0 HD13 ILE A 35 4.878 7.234 -8.230 1.00 0.97 H new ATOM 265 N GLU A 36 9.950 6.222 -5.677 1.00 0.51 N ATOM 266 CA GLU A 36 11.182 5.475 -5.890 1.00 0.62 C ATOM 267 C GLU A 36 11.729 4.913 -4.586 1.00 0.63 C ATOM 268 O GLU A 36 12.042 3.731 -4.503 1.00 0.64 O ATOM 269 CB GLU A 36 12.248 6.352 -6.537 1.00 0.79 C ATOM 270 CG GLU A 36 11.887 6.851 -7.920 1.00 0.87 C ATOM 271 CD GLU A 36 13.079 7.453 -8.625 1.00 1.64 C ATOM 272 OE1 GLU A 36 13.505 8.561 -8.237 1.00 2.22 O ATOM 273 OE2 GLU A 36 13.604 6.812 -9.562 1.00 2.42 O ATOM 0 H GLU A 36 10.024 7.220 -5.875 1.00 0.51 H new ATOM 0 HA GLU A 36 10.937 4.648 -6.556 1.00 0.62 H new ATOM 0 HB2 GLU A 36 12.437 7.210 -5.892 1.00 0.79 H new ATOM 0 HB3 GLU A 36 13.179 5.788 -6.598 1.00 0.79 H new ATOM 0 HG2 GLU A 36 11.492 6.026 -8.513 1.00 0.87 H new ATOM 0 HG3 GLU A 36 11.095 7.596 -7.843 1.00 0.87 H new ATOM 280 N GLU A 37 11.852 5.764 -3.574 1.00 0.68 N ATOM 281 CA GLU A 37 12.452 5.357 -2.307 1.00 0.77 C ATOM 282 C GLU A 37 11.627 4.267 -1.633 1.00 0.71 C ATOM 283 O GLU A 37 12.176 3.319 -1.068 1.00 0.79 O ATOM 284 CB GLU A 37 12.613 6.556 -1.375 1.00 0.91 C ATOM 285 CG GLU A 37 13.440 7.681 -1.976 1.00 1.41 C ATOM 286 CD GLU A 37 14.756 7.197 -2.550 1.00 1.84 C ATOM 287 OE1 GLU A 37 14.861 7.074 -3.793 1.00 2.30 O ATOM 288 OE2 GLU A 37 15.693 6.937 -1.765 1.00 2.53 O ATOM 0 H GLU A 37 11.546 6.737 -3.605 1.00 0.68 H new ATOM 0 HA GLU A 37 13.440 4.950 -2.522 1.00 0.77 H new ATOM 0 HB2 GLU A 37 11.626 6.939 -1.115 1.00 0.91 H new ATOM 0 HB3 GLU A 37 13.082 6.226 -0.448 1.00 0.91 H new ATOM 0 HG2 GLU A 37 12.864 8.170 -2.761 1.00 1.41 H new ATOM 0 HG3 GLU A 37 13.636 8.431 -1.210 1.00 1.41 H new ATOM 295 N ALA A 38 10.309 4.397 -1.703 1.00 0.61 N ATOM 296 CA ALA A 38 9.419 3.363 -1.197 1.00 0.60 C ATOM 297 C ALA A 38 9.597 2.075 -1.996 1.00 0.54 C ATOM 298 O ALA A 38 9.674 0.982 -1.432 1.00 0.59 O ATOM 299 CB ALA A 38 7.974 3.835 -1.258 1.00 0.60 C ATOM 0 H ALA A 38 9.834 5.206 -2.104 1.00 0.61 H new ATOM 0 HA ALA A 38 9.672 3.161 -0.156 1.00 0.60 H new ATOM 0 HB1 ALA A 38 7.319 3.052 -0.876 1.00 0.60 H new ATOM 0 HB2 ALA A 38 7.858 4.733 -0.650 1.00 0.60 H new ATOM 0 HB3 ALA A 38 7.708 4.059 -2.291 1.00 0.60 H new ATOM 305 N ARG A 39 9.693 2.221 -3.311 1.00 0.49 N ATOM 306 CA ARG A 39 9.847 1.083 -4.207 1.00 0.53 C ATOM 307 C ARG A 39 11.176 0.369 -3.965 1.00 0.56 C ATOM 308 O ARG A 39 11.247 -0.859 -4.031 1.00 0.59 O ATOM 309 CB ARG A 39 9.750 1.554 -5.660 1.00 0.60 C ATOM 310 CG ARG A 39 9.742 0.432 -6.682 1.00 0.88 C ATOM 311 CD ARG A 39 9.547 0.980 -8.084 1.00 0.95 C ATOM 312 NE ARG A 39 9.432 -0.082 -9.082 1.00 1.37 N ATOM 313 CZ ARG A 39 9.204 0.137 -10.376 1.00 1.97 C ATOM 314 NH1 ARG A 39 9.102 1.379 -10.836 1.00 2.23 N ATOM 315 NH2 ARG A 39 9.088 -0.886 -11.213 1.00 2.73 N ATOM 0 H ARG A 39 9.667 3.124 -3.784 1.00 0.49 H new ATOM 0 HA ARG A 39 9.046 0.372 -4.006 1.00 0.53 H new ATOM 0 HB2 ARG A 39 8.841 2.144 -5.778 1.00 0.60 H new ATOM 0 HB3 ARG A 39 10.589 2.216 -5.872 1.00 0.60 H new ATOM 0 HG2 ARG A 39 10.681 -0.120 -6.630 1.00 0.88 H new ATOM 0 HG3 ARG A 39 8.944 -0.273 -6.448 1.00 0.88 H new ATOM 0 HD2 ARG A 39 8.650 1.598 -8.109 1.00 0.95 H new ATOM 0 HD3 ARG A 39 10.387 1.627 -8.339 1.00 0.95 H new ATOM 0 HE ARG A 39 9.532 -1.048 -8.769 1.00 1.37 H new ATOM 0 HH11 ARG A 39 9.198 2.169 -10.198 1.00 2.23 H new ATOM 0 HH12 ARG A 39 8.927 1.543 -11.827 1.00 2.23 H new ATOM 0 HH21 ARG A 39 9.173 -1.841 -10.866 1.00 2.73 H new ATOM 0 HH22 ARG A 39 8.913 -0.717 -12.204 1.00 2.73 H new ATOM 329 N LYS A 40 12.217 1.145 -3.674 1.00 0.59 N ATOM 330 CA LYS A 40 13.538 0.592 -3.389 1.00 0.67 C ATOM 331 C LYS A 40 13.484 -0.380 -2.220 1.00 0.65 C ATOM 332 O LYS A 40 14.009 -1.489 -2.303 1.00 0.71 O ATOM 333 CB LYS A 40 14.541 1.704 -3.075 1.00 0.78 C ATOM 334 CG LYS A 40 14.913 2.561 -4.274 1.00 0.83 C ATOM 335 CD LYS A 40 16.002 3.557 -3.914 1.00 1.29 C ATOM 336 CE LYS A 40 16.441 4.371 -5.119 1.00 1.82 C ATOM 337 NZ LYS A 40 15.345 5.226 -5.640 1.00 2.52 N ATOM 0 H LYS A 40 12.170 2.163 -3.629 1.00 0.59 H new ATOM 0 HA LYS A 40 13.864 0.057 -4.281 1.00 0.67 H new ATOM 0 HB2 LYS A 40 14.124 2.346 -2.299 1.00 0.78 H new ATOM 0 HB3 LYS A 40 15.447 1.257 -2.667 1.00 0.78 H new ATOM 0 HG2 LYS A 40 15.254 1.923 -5.090 1.00 0.83 H new ATOM 0 HG3 LYS A 40 14.032 3.094 -4.632 1.00 0.83 H new ATOM 0 HD2 LYS A 40 15.639 4.227 -3.135 1.00 1.29 H new ATOM 0 HD3 LYS A 40 16.860 3.025 -3.502 1.00 1.29 H new ATOM 0 HE2 LYS A 40 17.290 4.997 -4.844 1.00 1.82 H new ATOM 0 HE3 LYS A 40 16.782 3.699 -5.906 1.00 1.82 H new ATOM 0 HZ1 LYS A 40 15.704 5.815 -6.419 1.00 2.52 H new ATOM 0 HZ2 LYS A 40 14.572 4.625 -5.989 1.00 2.52 H new ATOM 0 HZ3 LYS A 40 14.990 5.839 -4.878 1.00 2.52 H new ATOM 351 N MET A 41 12.840 0.033 -1.137 1.00 0.64 N ATOM 352 CA MET A 41 12.770 -0.788 0.066 1.00 0.68 C ATOM 353 C MET A 41 11.833 -1.970 -0.130 1.00 0.63 C ATOM 354 O MET A 41 12.026 -3.033 0.464 1.00 0.67 O ATOM 355 CB MET A 41 12.335 0.053 1.267 1.00 0.82 C ATOM 356 CG MET A 41 13.370 1.092 1.659 1.00 0.99 C ATOM 357 SD MET A 41 14.961 0.347 2.074 1.00 1.64 S ATOM 358 CE MET A 41 16.018 1.794 2.077 1.00 2.61 C ATOM 0 H MET A 41 12.359 0.930 -1.066 1.00 0.64 H new ATOM 0 HA MET A 41 13.767 -1.181 0.263 1.00 0.68 H new ATOM 0 HB2 MET A 41 11.395 0.552 1.034 1.00 0.82 H new ATOM 0 HB3 MET A 41 12.146 -0.604 2.116 1.00 0.82 H new ATOM 0 HG2 MET A 41 13.504 1.797 0.838 1.00 0.99 H new ATOM 0 HG3 MET A 41 13.004 1.663 2.513 1.00 0.99 H new ATOM 0 HE1 MET A 41 17.060 1.483 2.158 1.00 2.61 H new ATOM 0 HE2 MET A 41 15.876 2.350 1.150 1.00 2.61 H new ATOM 0 HE3 MET A 41 15.762 2.430 2.924 1.00 2.61 H new ATOM 368 N ALA A 42 10.826 -1.789 -0.974 1.00 0.60 N ATOM 369 CA ALA A 42 9.909 -2.867 -1.308 1.00 0.64 C ATOM 370 C ALA A 42 10.635 -3.956 -2.090 1.00 0.61 C ATOM 371 O ALA A 42 10.587 -5.132 -1.730 1.00 0.66 O ATOM 372 CB ALA A 42 8.729 -2.333 -2.105 1.00 0.75 C ATOM 0 H ALA A 42 10.624 -0.904 -1.440 1.00 0.60 H new ATOM 0 HA ALA A 42 9.530 -3.301 -0.383 1.00 0.64 H new ATOM 0 HB1 ALA A 42 8.052 -3.153 -2.347 1.00 0.75 H new ATOM 0 HB2 ALA A 42 8.198 -1.587 -1.514 1.00 0.75 H new ATOM 0 HB3 ALA A 42 9.089 -1.876 -3.027 1.00 0.75 H new ATOM 378 N GLU A 43 11.332 -3.552 -3.143 1.00 0.62 N ATOM 379 CA GLU A 43 12.080 -4.488 -3.972 1.00 0.75 C ATOM 380 C GLU A 43 13.225 -5.107 -3.170 1.00 0.71 C ATOM 381 O GLU A 43 13.640 -6.239 -3.423 1.00 0.79 O ATOM 382 CB GLU A 43 12.633 -3.768 -5.206 1.00 0.93 C ATOM 383 CG GLU A 43 13.171 -4.708 -6.273 1.00 1.33 C ATOM 384 CD GLU A 43 12.074 -5.466 -6.992 1.00 1.88 C ATOM 385 OE1 GLU A 43 11.669 -5.031 -8.091 1.00 2.39 O ATOM 386 OE2 GLU A 43 11.615 -6.506 -6.475 1.00 2.57 O ATOM 0 H GLU A 43 11.395 -2.580 -3.444 1.00 0.62 H new ATOM 0 HA GLU A 43 11.409 -5.284 -4.296 1.00 0.75 H new ATOM 0 HB2 GLU A 43 11.845 -3.153 -5.640 1.00 0.93 H new ATOM 0 HB3 GLU A 43 13.430 -3.092 -4.895 1.00 0.93 H new ATOM 0 HG2 GLU A 43 13.747 -4.135 -6.999 1.00 1.33 H new ATOM 0 HG3 GLU A 43 13.857 -5.419 -5.812 1.00 1.33 H new ATOM 393 N LYS A 44 13.709 -4.356 -2.185 1.00 0.68 N ATOM 394 CA LYS A 44 14.809 -4.795 -1.332 1.00 0.77 C ATOM 395 C LYS A 44 14.412 -6.027 -0.513 1.00 0.69 C ATOM 396 O LYS A 44 15.262 -6.829 -0.125 1.00 0.80 O ATOM 397 CB LYS A 44 15.222 -3.649 -0.398 1.00 0.92 C ATOM 398 CG LYS A 44 16.486 -3.915 0.409 1.00 1.42 C ATOM 399 CD LYS A 44 17.720 -4.010 -0.479 1.00 1.99 C ATOM 400 CE LYS A 44 18.015 -2.690 -1.179 1.00 2.49 C ATOM 401 NZ LYS A 44 19.223 -2.776 -2.039 1.00 2.98 N ATOM 0 H LYS A 44 13.351 -3.429 -1.956 1.00 0.68 H new ATOM 0 HA LYS A 44 15.652 -5.071 -1.965 1.00 0.77 H new ATOM 0 HB2 LYS A 44 15.369 -2.748 -0.993 1.00 0.92 H new ATOM 0 HB3 LYS A 44 14.402 -3.446 0.291 1.00 0.92 H new ATOM 0 HG2 LYS A 44 16.625 -3.117 1.139 1.00 1.42 H new ATOM 0 HG3 LYS A 44 16.370 -4.843 0.969 1.00 1.42 H new ATOM 0 HD2 LYS A 44 18.580 -4.302 0.124 1.00 1.99 H new ATOM 0 HD3 LYS A 44 17.573 -4.792 -1.224 1.00 1.99 H new ATOM 0 HE2 LYS A 44 17.157 -2.402 -1.786 1.00 2.49 H new ATOM 0 HE3 LYS A 44 18.155 -1.907 -0.433 1.00 2.49 H new ATOM 0 HZ1 LYS A 44 19.389 -1.857 -2.497 1.00 2.98 H new ATOM 0 HZ2 LYS A 44 20.047 -3.026 -1.456 1.00 2.98 H new ATOM 0 HZ3 LYS A 44 19.080 -3.505 -2.767 1.00 2.98 H new ATOM 415 N ALA A 45 13.118 -6.176 -0.257 1.00 0.61 N ATOM 416 CA ALA A 45 12.617 -7.319 0.495 1.00 0.64 C ATOM 417 C ALA A 45 11.754 -8.212 -0.388 1.00 0.60 C ATOM 418 O ALA A 45 10.996 -9.054 0.103 1.00 0.71 O ATOM 419 CB ALA A 45 11.836 -6.853 1.710 1.00 0.76 C ATOM 0 H ALA A 45 12.397 -5.520 -0.559 1.00 0.61 H new ATOM 0 HA ALA A 45 13.471 -7.904 0.837 1.00 0.64 H new ATOM 0 HB1 ALA A 45 11.469 -7.719 2.261 1.00 0.76 H new ATOM 0 HB2 ALA A 45 12.486 -6.262 2.355 1.00 0.76 H new ATOM 0 HB3 ALA A 45 10.992 -6.243 1.388 1.00 0.76 H new ATOM 425 N ASN A 46 11.888 -8.010 -1.698 1.00 0.56 N ATOM 426 CA ASN A 46 11.139 -8.763 -2.706 1.00 0.65 C ATOM 427 C ASN A 46 9.631 -8.634 -2.483 1.00 0.62 C ATOM 428 O ASN A 46 8.901 -9.627 -2.436 1.00 0.80 O ATOM 429 CB ASN A 46 11.563 -10.239 -2.715 1.00 0.83 C ATOM 430 CG ASN A 46 10.972 -11.009 -3.886 1.00 1.46 C ATOM 431 OD1 ASN A 46 10.741 -10.452 -4.963 1.00 2.11 O ATOM 432 ND2 ASN A 46 10.728 -12.292 -3.689 1.00 2.22 N ATOM 0 H ASN A 46 12.522 -7.316 -2.093 1.00 0.56 H new ATOM 0 HA ASN A 46 11.372 -8.336 -3.681 1.00 0.65 H new ATOM 0 HB2 ASN A 46 12.650 -10.301 -2.756 1.00 0.83 H new ATOM 0 HB3 ASN A 46 11.252 -10.709 -1.782 1.00 0.83 H new ATOM 0 HD21 ASN A 46 10.335 -12.858 -4.441 1.00 2.22 H new ATOM 0 HD22 ASN A 46 10.932 -12.717 -2.785 1.00 2.22 H new ATOM 439 N LEU A 47 9.171 -7.404 -2.327 1.00 0.48 N ATOM 440 CA LEU A 47 7.750 -7.132 -2.196 1.00 0.48 C ATOM 441 C LEU A 47 7.194 -6.685 -3.539 1.00 0.45 C ATOM 442 O LEU A 47 7.907 -6.078 -4.338 1.00 0.53 O ATOM 443 CB LEU A 47 7.496 -6.046 -1.148 1.00 0.51 C ATOM 444 CG LEU A 47 8.137 -6.285 0.221 1.00 0.58 C ATOM 445 CD1 LEU A 47 7.735 -5.187 1.189 1.00 1.10 C ATOM 446 CD2 LEU A 47 7.750 -7.646 0.775 1.00 1.11 C ATOM 0 H LEU A 47 9.764 -6.575 -2.288 1.00 0.48 H new ATOM 0 HA LEU A 47 7.250 -8.045 -1.873 1.00 0.48 H new ATOM 0 HB2 LEU A 47 7.861 -5.096 -1.539 1.00 0.51 H new ATOM 0 HB3 LEU A 47 6.420 -5.942 -1.012 1.00 0.51 H new ATOM 0 HG LEU A 47 9.220 -6.266 0.097 1.00 0.58 H new ATOM 0 HD11 LEU A 47 8.198 -5.369 2.159 1.00 1.10 H new ATOM 0 HD12 LEU A 47 8.067 -4.223 0.804 1.00 1.10 H new ATOM 0 HD13 LEU A 47 6.651 -5.179 1.300 1.00 1.10 H new ATOM 0 HD21 LEU A 47 8.219 -7.789 1.748 1.00 1.11 H new ATOM 0 HD22 LEU A 47 6.667 -7.700 0.883 1.00 1.11 H new ATOM 0 HD23 LEU A 47 8.086 -8.426 0.092 1.00 1.11 H new ATOM 458 N GLU A 48 5.930 -6.986 -3.786 1.00 0.43 N ATOM 459 CA GLU A 48 5.295 -6.618 -5.038 1.00 0.47 C ATOM 460 C GLU A 48 4.853 -5.160 -4.972 1.00 0.45 C ATOM 461 O GLU A 48 3.813 -4.843 -4.394 1.00 0.49 O ATOM 462 CB GLU A 48 4.091 -7.529 -5.296 1.00 0.58 C ATOM 463 CG GLU A 48 3.483 -7.375 -6.679 1.00 0.80 C ATOM 464 CD GLU A 48 4.355 -7.958 -7.771 1.00 1.27 C ATOM 465 OE1 GLU A 48 4.160 -9.143 -8.126 1.00 2.13 O ATOM 466 OE2 GLU A 48 5.233 -7.240 -8.289 1.00 1.74 O ATOM 0 H GLU A 48 5.324 -7.485 -3.135 1.00 0.43 H new ATOM 0 HA GLU A 48 6.004 -6.738 -5.857 1.00 0.47 H new ATOM 0 HB2 GLU A 48 4.397 -8.566 -5.159 1.00 0.58 H new ATOM 0 HB3 GLU A 48 3.325 -7.321 -4.549 1.00 0.58 H new ATOM 0 HG2 GLU A 48 2.509 -7.863 -6.699 1.00 0.80 H new ATOM 0 HG3 GLU A 48 3.314 -6.317 -6.881 1.00 0.80 H new ATOM 473 N LEU A 49 5.655 -4.276 -5.544 1.00 0.46 N ATOM 474 CA LEU A 49 5.357 -2.852 -5.519 1.00 0.50 C ATOM 475 C LEU A 49 4.503 -2.483 -6.727 1.00 0.45 C ATOM 476 O LEU A 49 4.908 -2.692 -7.874 1.00 0.54 O ATOM 477 CB LEU A 49 6.664 -2.040 -5.511 1.00 0.67 C ATOM 478 CG LEU A 49 6.568 -0.581 -5.023 1.00 0.75 C ATOM 479 CD1 LEU A 49 5.764 0.285 -5.980 1.00 1.49 C ATOM 480 CD2 LEU A 49 5.967 -0.515 -3.629 1.00 0.99 C ATOM 0 H LEU A 49 6.517 -4.519 -6.031 1.00 0.46 H new ATOM 0 HA LEU A 49 4.800 -2.616 -4.612 1.00 0.50 H new ATOM 0 HB2 LEU A 49 7.386 -2.562 -4.883 1.00 0.67 H new ATOM 0 HB3 LEU A 49 7.068 -2.035 -6.523 1.00 0.67 H new ATOM 0 HG LEU A 49 7.584 -0.188 -4.989 1.00 0.75 H new ATOM 0 HD11 LEU A 49 5.721 1.305 -5.599 1.00 1.49 H new ATOM 0 HD12 LEU A 49 6.241 0.284 -6.960 1.00 1.49 H new ATOM 0 HD13 LEU A 49 4.753 -0.112 -6.068 1.00 1.49 H new ATOM 0 HD21 LEU A 49 5.910 0.525 -3.306 1.00 0.99 H new ATOM 0 HD22 LEU A 49 4.966 -0.946 -3.644 1.00 0.99 H new ATOM 0 HD23 LEU A 49 6.594 -1.076 -2.936 1.00 0.99 H new ATOM 492 N ILE A 50 3.319 -1.953 -6.464 1.00 0.39 N ATOM 493 CA ILE A 50 2.430 -1.507 -7.521 1.00 0.43 C ATOM 494 C ILE A 50 2.011 -0.060 -7.282 1.00 0.40 C ATOM 495 O ILE A 50 1.470 0.274 -6.226 1.00 0.37 O ATOM 496 CB ILE A 50 1.178 -2.403 -7.623 1.00 0.50 C ATOM 497 CG1 ILE A 50 1.592 -3.855 -7.882 1.00 0.60 C ATOM 498 CG2 ILE A 50 0.252 -1.905 -8.723 1.00 0.62 C ATOM 499 CD1 ILE A 50 0.431 -4.822 -7.939 1.00 1.31 C ATOM 0 H ILE A 50 2.951 -1.821 -5.522 1.00 0.39 H new ATOM 0 HA ILE A 50 2.975 -1.577 -8.463 1.00 0.43 H new ATOM 0 HB ILE A 50 0.637 -2.357 -6.678 1.00 0.50 H new ATOM 0 HG12 ILE A 50 2.140 -3.904 -8.823 1.00 0.60 H new ATOM 0 HG13 ILE A 50 2.278 -4.172 -7.097 1.00 0.60 H new ATOM 0 HG21 ILE A 50 -0.625 -2.550 -8.780 1.00 0.62 H new ATOM 0 HG22 ILE A 50 -0.061 -0.885 -8.501 1.00 0.62 H new ATOM 0 HG23 ILE A 50 0.778 -1.923 -9.677 1.00 0.62 H new ATOM 0 HD11 ILE A 50 0.805 -5.829 -8.126 1.00 1.31 H new ATOM 0 HD12 ILE A 50 -0.105 -4.804 -6.990 1.00 1.31 H new ATOM 0 HD13 ILE A 50 -0.245 -4.531 -8.743 1.00 1.31 H new ATOM 511 N THR A 51 2.283 0.792 -8.257 1.00 0.48 N ATOM 512 CA THR A 51 1.952 2.203 -8.157 1.00 0.52 C ATOM 513 C THR A 51 0.644 2.494 -8.889 1.00 0.56 C ATOM 514 O THR A 51 0.474 2.118 -10.050 1.00 0.66 O ATOM 515 CB THR A 51 3.074 3.074 -8.754 1.00 0.63 C ATOM 516 OG1 THR A 51 4.349 2.611 -8.288 1.00 1.19 O ATOM 517 CG2 THR A 51 2.894 4.536 -8.369 1.00 1.20 C ATOM 0 H THR A 51 2.735 0.528 -9.132 1.00 0.48 H new ATOM 0 HA THR A 51 1.840 2.446 -7.100 1.00 0.52 H new ATOM 0 HB THR A 51 3.026 2.993 -9.840 1.00 0.63 H new ATOM 0 HG1 THR A 51 5.059 3.167 -8.672 1.00 1.19 H new ATOM 0 HG21 THR A 51 3.699 5.128 -8.803 1.00 1.20 H new ATOM 0 HG22 THR A 51 1.936 4.896 -8.744 1.00 1.20 H new ATOM 0 HG23 THR A 51 2.918 4.632 -7.283 1.00 1.20 H new ATOM 525 N VAL A 52 -0.275 3.154 -8.206 1.00 0.68 N ATOM 526 CA VAL A 52 -1.561 3.505 -8.796 1.00 0.78 C ATOM 527 C VAL A 52 -1.706 5.018 -8.864 1.00 0.85 C ATOM 528 O VAL A 52 -0.846 5.741 -8.356 1.00 1.66 O ATOM 529 CB VAL A 52 -2.739 2.940 -7.967 1.00 1.35 C ATOM 530 CG1 VAL A 52 -2.584 1.445 -7.752 1.00 1.77 C ATOM 531 CG2 VAL A 52 -2.859 3.682 -6.643 1.00 1.95 C ATOM 0 H VAL A 52 -0.157 3.460 -7.240 1.00 0.68 H new ATOM 0 HA VAL A 52 -1.590 3.071 -9.796 1.00 0.78 H new ATOM 0 HB VAL A 52 -3.662 3.095 -8.526 1.00 1.35 H new ATOM 0 HG11 VAL A 52 -3.425 1.072 -7.167 1.00 1.77 H new ATOM 0 HG12 VAL A 52 -2.561 0.939 -8.717 1.00 1.77 H new ATOM 0 HG13 VAL A 52 -1.655 1.249 -7.218 1.00 1.77 H new ATOM 0 HG21 VAL A 52 -3.692 3.273 -6.071 1.00 1.95 H new ATOM 0 HG22 VAL A 52 -1.936 3.564 -6.075 1.00 1.95 H new ATOM 0 HG23 VAL A 52 -3.035 4.741 -6.834 1.00 1.95 H new ATOM 541 N PRO A 53 -2.771 5.525 -9.510 1.00 0.73 N ATOM 542 CA PRO A 53 -3.176 6.924 -9.390 1.00 0.90 C ATOM 543 C PRO A 53 -3.206 7.387 -7.929 1.00 0.88 C ATOM 544 O PRO A 53 -3.295 6.587 -7.003 1.00 1.64 O ATOM 545 CB PRO A 53 -4.592 6.949 -9.993 1.00 1.83 C ATOM 546 CG PRO A 53 -4.943 5.523 -10.269 1.00 2.29 C ATOM 547 CD PRO A 53 -3.639 4.808 -10.450 1.00 1.49 C ATOM 0 HA PRO A 53 -2.480 7.595 -9.893 1.00 0.90 H new ATOM 0 HB2 PRO A 53 -5.304 7.400 -9.301 1.00 1.83 H new ATOM 0 HB3 PRO A 53 -4.617 7.542 -10.907 1.00 1.83 H new ATOM 0 HG2 PRO A 53 -5.513 5.094 -9.445 1.00 2.29 H new ATOM 0 HG3 PRO A 53 -5.562 5.439 -11.162 1.00 2.29 H new ATOM 0 HD2 PRO A 53 -3.717 3.748 -10.208 1.00 1.49 H new ATOM 0 HD3 PRO A 53 -3.275 4.875 -11.475 1.00 1.49 H new ATOM 555 N GLY A 54 -3.147 8.687 -7.737 1.00 1.49 N ATOM 556 CA GLY A 54 -2.988 9.258 -6.410 1.00 2.14 C ATOM 557 C GLY A 54 -4.222 9.149 -5.528 1.00 1.80 C ATOM 558 O GLY A 54 -4.250 9.713 -4.432 1.00 2.08 O ATOM 0 H GLY A 54 -3.207 9.376 -8.487 1.00 1.49 H new ATOM 0 HA2 GLY A 54 -2.155 8.762 -5.912 1.00 2.14 H new ATOM 0 HA3 GLY A 54 -2.719 10.310 -6.510 1.00 2.14 H new ATOM 562 N SER A 55 -5.239 8.441 -5.990 1.00 1.36 N ATOM 563 CA SER A 55 -6.452 8.264 -5.212 1.00 0.97 C ATOM 564 C SER A 55 -6.428 6.943 -4.447 1.00 0.64 C ATOM 565 O SER A 55 -6.024 5.907 -4.976 1.00 0.50 O ATOM 566 CB SER A 55 -7.677 8.325 -6.117 1.00 1.19 C ATOM 567 OG SER A 55 -7.461 7.604 -7.322 1.00 1.75 O ATOM 0 H SER A 55 -5.248 7.980 -6.900 1.00 1.36 H new ATOM 0 HA SER A 55 -6.507 9.076 -4.487 1.00 0.97 H new ATOM 0 HB2 SER A 55 -8.540 7.914 -5.594 1.00 1.19 H new ATOM 0 HB3 SER A 55 -7.910 9.364 -6.349 1.00 1.19 H new ATOM 0 HG SER A 55 -8.262 7.658 -7.883 1.00 1.75 H new ATOM 573 N PRO A 56 -6.886 6.974 -3.187 1.00 0.66 N ATOM 574 CA PRO A 56 -6.838 5.818 -2.288 1.00 0.58 C ATOM 575 C PRO A 56 -7.812 4.715 -2.687 1.00 0.53 C ATOM 576 O PRO A 56 -7.626 3.549 -2.329 1.00 0.62 O ATOM 577 CB PRO A 56 -7.227 6.416 -0.938 1.00 0.70 C ATOM 578 CG PRO A 56 -8.089 7.577 -1.280 1.00 1.09 C ATOM 579 CD PRO A 56 -7.500 8.150 -2.535 1.00 0.87 C ATOM 0 HA PRO A 56 -5.861 5.336 -2.297 1.00 0.58 H new ATOM 0 HB2 PRO A 56 -7.762 5.692 -0.323 1.00 0.70 H new ATOM 0 HB3 PRO A 56 -6.348 6.727 -0.373 1.00 0.70 H new ATOM 0 HG2 PRO A 56 -9.122 7.267 -1.436 1.00 1.09 H new ATOM 0 HG3 PRO A 56 -8.095 8.313 -0.476 1.00 1.09 H new ATOM 0 HD2 PRO A 56 -8.263 8.608 -3.165 1.00 0.87 H new ATOM 0 HD3 PRO A 56 -6.761 8.921 -2.318 1.00 0.87 H new ATOM 587 N GLU A 57 -8.849 5.090 -3.429 1.00 0.62 N ATOM 588 CA GLU A 57 -9.852 4.135 -3.879 1.00 0.80 C ATOM 589 C GLU A 57 -9.236 3.116 -4.825 1.00 0.67 C ATOM 590 O GLU A 57 -9.377 1.910 -4.631 1.00 0.67 O ATOM 591 CB GLU A 57 -11.005 4.856 -4.574 1.00 1.14 C ATOM 592 CG GLU A 57 -11.783 5.788 -3.663 1.00 1.80 C ATOM 593 CD GLU A 57 -12.976 6.405 -4.360 1.00 1.95 C ATOM 594 OE1 GLU A 57 -13.948 5.674 -4.635 1.00 2.06 O ATOM 595 OE2 GLU A 57 -12.949 7.620 -4.636 1.00 2.70 O ATOM 0 H GLU A 57 -9.016 6.050 -3.731 1.00 0.62 H new ATOM 0 HA GLU A 57 -10.238 3.613 -3.003 1.00 0.80 H new ATOM 0 HB2 GLU A 57 -10.610 5.429 -5.413 1.00 1.14 H new ATOM 0 HB3 GLU A 57 -11.688 4.114 -4.988 1.00 1.14 H new ATOM 0 HG2 GLU A 57 -12.122 5.237 -2.786 1.00 1.80 H new ATOM 0 HG3 GLU A 57 -11.123 6.579 -3.307 1.00 1.80 H new ATOM 602 N GLU A 58 -8.529 3.613 -5.832 1.00 0.61 N ATOM 603 CA GLU A 58 -7.915 2.757 -6.835 1.00 0.56 C ATOM 604 C GLU A 58 -6.876 1.834 -6.213 1.00 0.50 C ATOM 605 O GLU A 58 -6.718 0.691 -6.641 1.00 0.54 O ATOM 606 CB GLU A 58 -7.274 3.601 -7.933 1.00 0.62 C ATOM 607 CG GLU A 58 -8.284 4.327 -8.803 1.00 1.18 C ATOM 608 CD GLU A 58 -9.216 3.371 -9.518 1.00 1.57 C ATOM 609 OE1 GLU A 58 -8.718 2.438 -10.182 1.00 2.30 O ATOM 610 OE2 GLU A 58 -10.449 3.556 -9.434 1.00 2.01 O ATOM 0 H GLU A 58 -8.367 4.610 -5.975 1.00 0.61 H new ATOM 0 HA GLU A 58 -8.700 2.139 -7.272 1.00 0.56 H new ATOM 0 HB2 GLU A 58 -6.607 4.332 -7.476 1.00 0.62 H new ATOM 0 HB3 GLU A 58 -6.659 2.958 -8.563 1.00 0.62 H new ATOM 0 HG2 GLU A 58 -8.869 5.008 -8.186 1.00 1.18 H new ATOM 0 HG3 GLU A 58 -7.757 4.936 -9.538 1.00 1.18 H new ATOM 617 N ALA A 59 -6.183 2.334 -5.199 1.00 0.52 N ATOM 618 CA ALA A 59 -5.158 1.557 -4.517 1.00 0.59 C ATOM 619 C ALA A 59 -5.751 0.311 -3.870 1.00 0.50 C ATOM 620 O ALA A 59 -5.315 -0.808 -4.138 1.00 0.50 O ATOM 621 CB ALA A 59 -4.454 2.411 -3.474 1.00 0.78 C ATOM 0 H ALA A 59 -6.313 3.276 -4.830 1.00 0.52 H new ATOM 0 HA ALA A 59 -4.428 1.235 -5.260 1.00 0.59 H new ATOM 0 HB1 ALA A 59 -3.690 1.817 -2.972 1.00 0.78 H new ATOM 0 HB2 ALA A 59 -3.986 3.267 -3.960 1.00 0.78 H new ATOM 0 HB3 ALA A 59 -5.180 2.762 -2.741 1.00 0.78 H new ATOM 627 N ILE A 60 -6.766 0.504 -3.037 1.00 0.51 N ATOM 628 CA ILE A 60 -7.363 -0.604 -2.306 1.00 0.52 C ATOM 629 C ILE A 60 -8.192 -1.492 -3.230 1.00 0.50 C ATOM 630 O ILE A 60 -8.202 -2.711 -3.080 1.00 0.52 O ATOM 631 CB ILE A 60 -8.243 -0.112 -1.142 1.00 0.63 C ATOM 632 CG1 ILE A 60 -7.462 0.877 -0.275 1.00 0.79 C ATOM 633 CG2 ILE A 60 -8.717 -1.293 -0.304 1.00 0.74 C ATOM 634 CD1 ILE A 60 -8.267 1.441 0.869 1.00 1.03 C ATOM 0 H ILE A 60 -7.190 1.413 -2.852 1.00 0.51 H new ATOM 0 HA ILE A 60 -6.539 -1.187 -1.895 1.00 0.52 H new ATOM 0 HB ILE A 60 -9.117 0.396 -1.551 1.00 0.63 H new ATOM 0 HG12 ILE A 60 -6.578 0.379 0.124 1.00 0.79 H new ATOM 0 HG13 ILE A 60 -7.110 1.697 -0.901 1.00 0.79 H new ATOM 0 HG21 ILE A 60 -9.338 -0.932 0.516 1.00 0.74 H new ATOM 0 HG22 ILE A 60 -9.298 -1.972 -0.928 1.00 0.74 H new ATOM 0 HG23 ILE A 60 -7.854 -1.822 0.101 1.00 0.74 H new ATOM 0 HD11 ILE A 60 -7.650 2.134 1.441 1.00 1.03 H new ATOM 0 HD12 ILE A 60 -9.137 1.968 0.477 1.00 1.03 H new ATOM 0 HD13 ILE A 60 -8.596 0.629 1.517 1.00 1.03 H new ATOM 646 N ARG A 61 -8.874 -0.884 -4.194 1.00 0.51 N ATOM 647 CA ARG A 61 -9.668 -1.650 -5.150 1.00 0.57 C ATOM 648 C ARG A 61 -8.777 -2.557 -5.992 1.00 0.55 C ATOM 649 O ARG A 61 -9.194 -3.641 -6.402 1.00 0.67 O ATOM 650 CB ARG A 61 -10.491 -0.728 -6.048 1.00 0.63 C ATOM 651 CG ARG A 61 -11.721 -0.153 -5.363 1.00 0.68 C ATOM 652 CD ARG A 61 -12.515 0.736 -6.308 1.00 0.85 C ATOM 653 NE ARG A 61 -12.970 -0.001 -7.488 1.00 1.75 N ATOM 654 CZ ARG A 61 -13.702 0.529 -8.469 1.00 2.33 C ATOM 655 NH1 ARG A 61 -14.104 1.791 -8.402 1.00 2.28 N ATOM 656 NH2 ARG A 61 -14.045 -0.217 -9.512 1.00 3.35 N ATOM 0 H ARG A 61 -8.894 0.126 -4.335 1.00 0.51 H new ATOM 0 HA ARG A 61 -10.358 -2.274 -4.582 1.00 0.57 H new ATOM 0 HB2 ARG A 61 -9.859 0.092 -6.390 1.00 0.63 H new ATOM 0 HB3 ARG A 61 -10.803 -1.281 -6.934 1.00 0.63 H new ATOM 0 HG2 ARG A 61 -12.354 -0.965 -5.006 1.00 0.68 H new ATOM 0 HG3 ARG A 61 -11.417 0.422 -4.488 1.00 0.68 H new ATOM 0 HD2 ARG A 61 -13.376 1.149 -5.782 1.00 0.85 H new ATOM 0 HD3 ARG A 61 -11.898 1.578 -6.620 1.00 0.85 H new ATOM 0 HE ARG A 61 -12.710 -0.984 -7.565 1.00 1.75 H new ATOM 0 HH11 ARG A 61 -13.854 2.364 -7.596 1.00 2.28 H new ATOM 0 HH12 ARG A 61 -14.663 2.189 -9.156 1.00 2.28 H new ATOM 0 HH21 ARG A 61 -13.749 -1.192 -9.561 1.00 3.35 H new ATOM 0 HH22 ARG A 61 -14.605 0.185 -10.264 1.00 3.35 H new ATOM 670 N LEU A 62 -7.547 -2.119 -6.239 1.00 0.47 N ATOM 671 CA LEU A 62 -6.583 -2.950 -6.942 1.00 0.50 C ATOM 672 C LEU A 62 -6.031 -4.011 -5.996 1.00 0.43 C ATOM 673 O LEU A 62 -5.750 -5.133 -6.408 1.00 0.45 O ATOM 674 CB LEU A 62 -5.450 -2.102 -7.529 1.00 0.59 C ATOM 675 CG LEU A 62 -4.427 -2.872 -8.372 1.00 0.69 C ATOM 676 CD1 LEU A 62 -5.121 -3.673 -9.462 1.00 1.22 C ATOM 677 CD2 LEU A 62 -3.420 -1.919 -8.988 1.00 1.03 C ATOM 0 H LEU A 62 -7.198 -1.201 -5.964 1.00 0.47 H new ATOM 0 HA LEU A 62 -7.088 -3.444 -7.772 1.00 0.50 H new ATOM 0 HB2 LEU A 62 -5.888 -1.317 -8.146 1.00 0.59 H new ATOM 0 HB3 LEU A 62 -4.925 -1.609 -6.711 1.00 0.59 H new ATOM 0 HG LEU A 62 -3.900 -3.564 -7.715 1.00 0.69 H new ATOM 0 HD11 LEU A 62 -4.376 -4.211 -10.048 1.00 1.22 H new ATOM 0 HD12 LEU A 62 -5.810 -4.385 -9.008 1.00 1.22 H new ATOM 0 HD13 LEU A 62 -5.676 -2.997 -10.113 1.00 1.22 H new ATOM 0 HD21 LEU A 62 -2.702 -2.483 -9.583 1.00 1.03 H new ATOM 0 HD22 LEU A 62 -3.939 -1.205 -9.627 1.00 1.03 H new ATOM 0 HD23 LEU A 62 -2.895 -1.383 -8.197 1.00 1.03 H new ATOM 689 N ALA A 63 -5.907 -3.656 -4.722 1.00 0.41 N ATOM 690 CA ALA A 63 -5.462 -4.600 -3.703 1.00 0.42 C ATOM 691 C ALA A 63 -6.481 -5.722 -3.518 1.00 0.46 C ATOM 692 O ALA A 63 -6.125 -6.848 -3.164 1.00 0.49 O ATOM 693 CB ALA A 63 -5.204 -3.882 -2.393 1.00 0.49 C ATOM 0 H ALA A 63 -6.109 -2.720 -4.370 1.00 0.41 H new ATOM 0 HA ALA A 63 -4.527 -5.050 -4.037 1.00 0.42 H new ATOM 0 HB1 ALA A 63 -4.873 -4.601 -1.643 1.00 0.49 H new ATOM 0 HB2 ALA A 63 -4.432 -3.127 -2.538 1.00 0.49 H new ATOM 0 HB3 ALA A 63 -6.122 -3.402 -2.054 1.00 0.49 H new ATOM 699 N GLN A 64 -7.747 -5.405 -3.765 1.00 0.52 N ATOM 700 CA GLN A 64 -8.803 -6.411 -3.781 1.00 0.64 C ATOM 701 C GLN A 64 -8.515 -7.444 -4.862 1.00 0.62 C ATOM 702 O GLN A 64 -8.653 -8.648 -4.639 1.00 0.69 O ATOM 703 CB GLN A 64 -10.164 -5.752 -4.027 1.00 0.77 C ATOM 704 CG GLN A 64 -10.607 -4.838 -2.897 1.00 1.11 C ATOM 705 CD GLN A 64 -10.932 -5.600 -1.629 1.00 1.39 C ATOM 706 OE1 GLN A 64 -10.061 -5.863 -0.808 1.00 1.95 O ATOM 707 NE2 GLN A 64 -12.196 -5.948 -1.459 1.00 2.12 N ATOM 0 H GLN A 64 -8.068 -4.456 -3.958 1.00 0.52 H new ATOM 0 HA GLN A 64 -8.831 -6.909 -2.812 1.00 0.64 H new ATOM 0 HB2 GLN A 64 -10.119 -5.177 -4.952 1.00 0.77 H new ATOM 0 HB3 GLN A 64 -10.915 -6.529 -4.171 1.00 0.77 H new ATOM 0 HG2 GLN A 64 -9.819 -4.113 -2.690 1.00 1.11 H new ATOM 0 HG3 GLN A 64 -11.484 -4.274 -3.213 1.00 1.11 H new ATOM 0 HE21 GLN A 64 -12.890 -5.710 -2.167 1.00 2.12 H new ATOM 0 HE22 GLN A 64 -12.477 -6.455 -0.620 1.00 2.12 H new ATOM 716 N GLU A 65 -8.086 -6.957 -6.024 1.00 0.58 N ATOM 717 CA GLU A 65 -7.694 -7.821 -7.128 1.00 0.63 C ATOM 718 C GLU A 65 -6.443 -8.603 -6.750 1.00 0.55 C ATOM 719 O GLU A 65 -6.315 -9.777 -7.082 1.00 0.62 O ATOM 720 CB GLU A 65 -7.442 -6.990 -8.391 1.00 0.69 C ATOM 721 CG GLU A 65 -7.127 -7.823 -9.624 1.00 1.24 C ATOM 722 CD GLU A 65 -6.986 -6.982 -10.875 1.00 1.50 C ATOM 723 OE1 GLU A 65 -5.867 -6.910 -11.431 1.00 2.21 O ATOM 724 OE2 GLU A 65 -7.995 -6.389 -11.310 1.00 1.95 O ATOM 0 H GLU A 65 -8.002 -5.960 -6.223 1.00 0.58 H new ATOM 0 HA GLU A 65 -8.502 -8.523 -7.334 1.00 0.63 H new ATOM 0 HB2 GLU A 65 -8.321 -6.378 -8.593 1.00 0.69 H new ATOM 0 HB3 GLU A 65 -6.614 -6.306 -8.205 1.00 0.69 H new ATOM 0 HG2 GLU A 65 -6.203 -8.377 -9.457 1.00 1.24 H new ATOM 0 HG3 GLU A 65 -7.917 -8.559 -9.772 1.00 1.24 H new ATOM 731 N ILE A 66 -5.534 -7.944 -6.040 1.00 0.46 N ATOM 732 CA ILE A 66 -4.325 -8.591 -5.549 1.00 0.46 C ATOM 733 C ILE A 66 -4.670 -9.840 -4.748 1.00 0.43 C ATOM 734 O ILE A 66 -4.248 -10.939 -5.089 1.00 0.48 O ATOM 735 CB ILE A 66 -3.504 -7.651 -4.644 1.00 0.54 C ATOM 736 CG1 ILE A 66 -3.141 -6.360 -5.377 1.00 0.66 C ATOM 737 CG2 ILE A 66 -2.252 -8.354 -4.149 1.00 0.64 C ATOM 738 CD1 ILE A 66 -2.315 -6.564 -6.620 1.00 0.53 C ATOM 0 H ILE A 66 -5.613 -6.958 -5.791 1.00 0.46 H new ATOM 0 HA ILE A 66 -3.733 -8.855 -6.425 1.00 0.46 H new ATOM 0 HB ILE A 66 -4.119 -7.386 -3.784 1.00 0.54 H new ATOM 0 HG12 ILE A 66 -4.059 -5.839 -5.647 1.00 0.66 H new ATOM 0 HG13 ILE A 66 -2.594 -5.710 -4.694 1.00 0.66 H new ATOM 0 HG21 ILE A 66 -1.683 -7.678 -3.511 1.00 0.64 H new ATOM 0 HG22 ILE A 66 -2.533 -9.239 -3.579 1.00 0.64 H new ATOM 0 HG23 ILE A 66 -1.640 -8.650 -5.001 1.00 0.64 H new ATOM 0 HD11 ILE A 66 -2.102 -5.598 -7.078 1.00 0.53 H new ATOM 0 HD12 ILE A 66 -1.378 -7.055 -6.358 1.00 0.53 H new ATOM 0 HD13 ILE A 66 -2.866 -7.186 -7.325 1.00 0.53 H new ATOM 750 N ALA A 67 -5.459 -9.659 -3.696 1.00 0.44 N ATOM 751 CA ALA A 67 -5.836 -10.759 -2.817 1.00 0.51 C ATOM 752 C ALA A 67 -6.675 -11.796 -3.560 1.00 0.55 C ATOM 753 O ALA A 67 -6.642 -12.988 -3.243 1.00 0.63 O ATOM 754 CB ALA A 67 -6.591 -10.222 -1.613 1.00 0.60 C ATOM 0 H ALA A 67 -5.852 -8.756 -3.430 1.00 0.44 H new ATOM 0 HA ALA A 67 -4.927 -11.254 -2.474 1.00 0.51 H new ATOM 0 HB1 ALA A 67 -6.870 -11.049 -0.960 1.00 0.60 H new ATOM 0 HB2 ALA A 67 -5.955 -9.526 -1.066 1.00 0.60 H new ATOM 0 HB3 ALA A 67 -7.490 -9.705 -1.948 1.00 0.60 H new ATOM 760 N GLU A 68 -7.414 -11.330 -4.558 1.00 0.60 N ATOM 761 CA GLU A 68 -8.245 -12.197 -5.381 1.00 0.73 C ATOM 762 C GLU A 68 -7.377 -13.080 -6.276 1.00 0.73 C ATOM 763 O GLU A 68 -7.728 -14.219 -6.586 1.00 0.87 O ATOM 764 CB GLU A 68 -9.173 -11.341 -6.243 1.00 0.83 C ATOM 765 CG GLU A 68 -10.218 -12.133 -7.005 1.00 1.10 C ATOM 766 CD GLU A 68 -10.989 -11.270 -7.981 1.00 1.71 C ATOM 767 OE1 GLU A 68 -10.924 -11.546 -9.198 1.00 2.46 O ATOM 768 OE2 GLU A 68 -11.657 -10.311 -7.540 1.00 2.22 O ATOM 0 H GLU A 68 -7.454 -10.345 -4.819 1.00 0.60 H new ATOM 0 HA GLU A 68 -8.837 -12.840 -4.730 1.00 0.73 H new ATOM 0 HB2 GLU A 68 -9.677 -10.615 -5.605 1.00 0.83 H new ATOM 0 HB3 GLU A 68 -8.571 -10.776 -6.955 1.00 0.83 H new ATOM 0 HG2 GLU A 68 -9.733 -12.946 -7.546 1.00 1.10 H new ATOM 0 HG3 GLU A 68 -10.912 -12.589 -6.299 1.00 1.10 H new ATOM 775 N LYS A 69 -6.239 -12.543 -6.681 1.00 0.65 N ATOM 776 CA LYS A 69 -5.350 -13.222 -7.610 1.00 0.71 C ATOM 777 C LYS A 69 -4.074 -13.669 -6.903 1.00 0.73 C ATOM 778 O LYS A 69 -3.044 -13.895 -7.540 1.00 0.92 O ATOM 779 CB LYS A 69 -5.008 -12.279 -8.770 1.00 0.73 C ATOM 780 CG LYS A 69 -6.234 -11.705 -9.471 1.00 0.77 C ATOM 781 CD LYS A 69 -6.961 -12.744 -10.314 1.00 1.29 C ATOM 782 CE LYS A 69 -6.364 -12.881 -11.711 1.00 1.73 C ATOM 783 NZ LYS A 69 -4.961 -13.373 -11.694 1.00 2.41 N ATOM 0 H LYS A 69 -5.906 -11.628 -6.377 1.00 0.65 H new ATOM 0 HA LYS A 69 -5.853 -14.108 -7.998 1.00 0.71 H new ATOM 0 HB2 LYS A 69 -4.398 -11.458 -8.392 1.00 0.73 H new ATOM 0 HB3 LYS A 69 -4.402 -12.818 -9.499 1.00 0.73 H new ATOM 0 HG2 LYS A 69 -6.920 -11.302 -8.726 1.00 0.77 H new ATOM 0 HG3 LYS A 69 -5.929 -10.874 -10.107 1.00 0.77 H new ATOM 0 HD2 LYS A 69 -6.922 -13.709 -9.809 1.00 1.29 H new ATOM 0 HD3 LYS A 69 -8.013 -12.470 -10.397 1.00 1.29 H new ATOM 0 HE2 LYS A 69 -6.977 -13.566 -12.297 1.00 1.73 H new ATOM 0 HE3 LYS A 69 -6.399 -11.914 -12.212 1.00 1.73 H new ATOM 0 HZ1 LYS A 69 -4.752 -13.856 -12.591 1.00 2.41 H new ATOM 0 HZ2 LYS A 69 -4.313 -12.569 -11.574 1.00 2.41 H new ATOM 0 HZ3 LYS A 69 -4.836 -14.039 -10.905 1.00 2.41 H new ATOM 797 N ALA A 70 -4.145 -13.785 -5.586 1.00 0.67 N ATOM 798 CA ALA A 70 -2.982 -14.138 -4.786 1.00 0.71 C ATOM 799 C ALA A 70 -2.986 -15.608 -4.403 1.00 0.69 C ATOM 800 O ALA A 70 -3.848 -16.055 -3.642 1.00 0.68 O ATOM 801 CB ALA A 70 -2.926 -13.289 -3.534 1.00 0.78 C ATOM 0 H ALA A 70 -4.999 -13.639 -5.047 1.00 0.67 H new ATOM 0 HA ALA A 70 -2.099 -13.948 -5.397 1.00 0.71 H new ATOM 0 HB1 ALA A 70 -2.051 -13.565 -2.946 1.00 0.78 H new ATOM 0 HB2 ALA A 70 -2.860 -12.237 -3.811 1.00 0.78 H new ATOM 0 HB3 ALA A 70 -3.827 -13.453 -2.942 1.00 0.78 H new ATOM 807 N PRO A 71 -2.034 -16.383 -4.934 1.00 0.84 N ATOM 808 CA PRO A 71 -1.850 -17.782 -4.559 1.00 0.90 C ATOM 809 C PRO A 71 -1.172 -17.919 -3.201 1.00 0.81 C ATOM 810 O PRO A 71 0.010 -17.605 -3.045 1.00 0.93 O ATOM 811 CB PRO A 71 -0.941 -18.344 -5.664 1.00 1.19 C ATOM 812 CG PRO A 71 -0.880 -17.277 -6.703 1.00 1.34 C ATOM 813 CD PRO A 71 -1.082 -15.987 -5.971 1.00 1.08 C ATOM 0 HA PRO A 71 -2.801 -18.307 -4.471 1.00 0.90 H new ATOM 0 HB2 PRO A 71 0.052 -18.574 -5.278 1.00 1.19 H new ATOM 0 HB3 PRO A 71 -1.346 -19.269 -6.074 1.00 1.19 H new ATOM 0 HG2 PRO A 71 0.080 -17.288 -7.220 1.00 1.34 H new ATOM 0 HG3 PRO A 71 -1.651 -17.423 -7.460 1.00 1.34 H new ATOM 0 HD2 PRO A 71 -0.152 -15.605 -5.549 1.00 1.08 H new ATOM 0 HD3 PRO A 71 -1.482 -15.207 -6.618 1.00 1.08 H new ATOM 821 N GLY A 72 -1.942 -18.354 -2.221 1.00 0.75 N ATOM 822 CA GLY A 72 -1.389 -18.648 -0.914 1.00 0.77 C ATOM 823 C GLY A 72 -1.507 -17.484 0.050 1.00 0.63 C ATOM 824 O GLY A 72 -2.397 -16.644 -0.096 1.00 0.62 O ATOM 0 H GLY A 72 -2.946 -18.511 -2.305 1.00 0.75 H new ATOM 0 HA2 GLY A 72 -1.901 -19.514 -0.495 1.00 0.77 H new ATOM 0 HA3 GLY A 72 -0.339 -18.919 -1.022 1.00 0.77 H new ATOM 828 N PRO A 73 -0.623 -17.419 1.060 1.00 0.61 N ATOM 829 CA PRO A 73 -0.627 -16.347 2.059 1.00 0.58 C ATOM 830 C PRO A 73 -0.253 -15.002 1.450 1.00 0.48 C ATOM 831 O PRO A 73 0.845 -14.836 0.908 1.00 0.54 O ATOM 832 CB PRO A 73 0.435 -16.784 3.082 1.00 0.71 C ATOM 833 CG PRO A 73 0.715 -18.219 2.778 1.00 0.90 C ATOM 834 CD PRO A 73 0.454 -18.387 1.310 1.00 0.73 C ATOM 0 HA PRO A 73 -1.615 -16.207 2.497 1.00 0.58 H new ATOM 0 HB2 PRO A 73 1.338 -16.180 2.992 1.00 0.71 H new ATOM 0 HB3 PRO A 73 0.071 -16.663 4.102 1.00 0.71 H new ATOM 0 HG2 PRO A 73 1.745 -18.476 3.023 1.00 0.90 H new ATOM 0 HG3 PRO A 73 0.074 -18.875 3.366 1.00 0.90 H new ATOM 0 HD2 PRO A 73 1.340 -18.170 0.714 1.00 0.73 H new ATOM 0 HD3 PRO A 73 0.148 -19.405 1.067 1.00 0.73 H new ATOM 842 N VAL A 74 -1.165 -14.048 1.544 1.00 0.48 N ATOM 843 CA VAL A 74 -0.961 -12.736 0.958 1.00 0.46 C ATOM 844 C VAL A 74 -1.283 -11.627 1.954 1.00 0.44 C ATOM 845 O VAL A 74 -2.252 -11.714 2.711 1.00 0.56 O ATOM 846 CB VAL A 74 -1.823 -12.550 -0.315 1.00 0.62 C ATOM 847 CG1 VAL A 74 -3.304 -12.709 -0.001 1.00 1.50 C ATOM 848 CG2 VAL A 74 -1.554 -11.198 -0.963 1.00 1.31 C ATOM 0 H VAL A 74 -2.058 -14.160 2.024 1.00 0.48 H new ATOM 0 HA VAL A 74 0.092 -12.670 0.686 1.00 0.46 H new ATOM 0 HB VAL A 74 -1.541 -13.329 -1.023 1.00 0.62 H new ATOM 0 HG11 VAL A 74 -3.886 -12.573 -0.913 1.00 1.50 H new ATOM 0 HG12 VAL A 74 -3.486 -13.706 0.401 1.00 1.50 H new ATOM 0 HG13 VAL A 74 -3.602 -11.962 0.734 1.00 1.50 H new ATOM 0 HG21 VAL A 74 -2.172 -11.093 -1.855 1.00 1.31 H new ATOM 0 HG22 VAL A 74 -1.795 -10.402 -0.258 1.00 1.31 H new ATOM 0 HG23 VAL A 74 -0.502 -11.130 -1.240 1.00 1.31 H new ATOM 858 N LYS A 75 -0.441 -10.606 1.970 1.00 0.44 N ATOM 859 CA LYS A 75 -0.707 -9.396 2.728 1.00 0.52 C ATOM 860 C LYS A 75 -0.432 -8.193 1.837 1.00 0.42 C ATOM 861 O LYS A 75 0.551 -8.182 1.093 1.00 0.45 O ATOM 862 CB LYS A 75 0.161 -9.317 3.989 1.00 0.76 C ATOM 863 CG LYS A 75 -0.016 -10.478 4.957 1.00 1.20 C ATOM 864 CD LYS A 75 0.717 -10.209 6.263 1.00 1.52 C ATOM 865 CE LYS A 75 0.726 -11.422 7.182 1.00 1.90 C ATOM 866 NZ LYS A 75 -0.643 -11.900 7.515 1.00 2.58 N ATOM 0 H LYS A 75 0.442 -10.593 1.460 1.00 0.44 H new ATOM 0 HA LYS A 75 -1.749 -9.406 3.047 1.00 0.52 H new ATOM 0 HB2 LYS A 75 1.208 -9.267 3.690 1.00 0.76 H new ATOM 0 HB3 LYS A 75 -0.066 -8.388 4.512 1.00 0.76 H new ATOM 0 HG2 LYS A 75 -1.076 -10.634 5.155 1.00 1.20 H new ATOM 0 HG3 LYS A 75 0.362 -11.395 4.505 1.00 1.20 H new ATOM 0 HD2 LYS A 75 1.743 -9.913 6.046 1.00 1.52 H new ATOM 0 HD3 LYS A 75 0.245 -9.371 6.776 1.00 1.52 H new ATOM 0 HE2 LYS A 75 1.283 -12.229 6.706 1.00 1.90 H new ATOM 0 HE3 LYS A 75 1.253 -11.171 8.103 1.00 1.90 H new ATOM 0 HZ1 LYS A 75 -0.581 -12.684 8.196 1.00 2.58 H new ATOM 0 HZ2 LYS A 75 -1.191 -11.121 7.933 1.00 2.58 H new ATOM 0 HZ3 LYS A 75 -1.116 -12.230 6.649 1.00 2.58 H new ATOM 880 N VAL A 76 -1.298 -7.194 1.892 1.00 0.42 N ATOM 881 CA VAL A 76 -1.137 -6.010 1.065 1.00 0.39 C ATOM 882 C VAL A 76 -1.048 -4.752 1.921 1.00 0.38 C ATOM 883 O VAL A 76 -1.923 -4.481 2.745 1.00 0.50 O ATOM 884 CB VAL A 76 -2.302 -5.846 0.069 1.00 0.53 C ATOM 885 CG1 VAL A 76 -2.000 -4.739 -0.926 1.00 0.88 C ATOM 886 CG2 VAL A 76 -2.597 -7.154 -0.649 1.00 1.16 C ATOM 0 H VAL A 76 -2.118 -7.179 2.499 1.00 0.42 H new ATOM 0 HA VAL A 76 -0.209 -6.144 0.509 1.00 0.39 H new ATOM 0 HB VAL A 76 -3.193 -5.568 0.632 1.00 0.53 H new ATOM 0 HG11 VAL A 76 -2.833 -4.637 -1.621 1.00 0.88 H new ATOM 0 HG12 VAL A 76 -1.856 -3.799 -0.392 1.00 0.88 H new ATOM 0 HG13 VAL A 76 -1.094 -4.985 -1.479 1.00 0.88 H new ATOM 0 HG21 VAL A 76 -3.423 -7.009 -1.345 1.00 1.16 H new ATOM 0 HG22 VAL A 76 -1.712 -7.475 -1.198 1.00 1.16 H new ATOM 0 HG23 VAL A 76 -2.868 -7.917 0.081 1.00 1.16 H new ATOM 896 N LEU A 77 0.012 -3.991 1.725 1.00 0.35 N ATOM 897 CA LEU A 77 0.179 -2.721 2.406 1.00 0.41 C ATOM 898 C LEU A 77 -0.182 -1.579 1.468 1.00 0.39 C ATOM 899 O LEU A 77 0.402 -1.443 0.396 1.00 0.43 O ATOM 900 CB LEU A 77 1.619 -2.559 2.896 1.00 0.54 C ATOM 901 CG LEU A 77 1.916 -1.229 3.589 1.00 0.62 C ATOM 902 CD1 LEU A 77 1.061 -1.073 4.836 1.00 0.90 C ATOM 903 CD2 LEU A 77 3.392 -1.126 3.935 1.00 1.35 C ATOM 0 H LEU A 77 0.776 -4.233 1.094 1.00 0.35 H new ATOM 0 HA LEU A 77 -0.485 -2.700 3.270 1.00 0.41 H new ATOM 0 HB2 LEU A 77 1.846 -3.371 3.587 1.00 0.54 H new ATOM 0 HB3 LEU A 77 2.292 -2.667 2.045 1.00 0.54 H new ATOM 0 HG LEU A 77 1.668 -0.420 2.901 1.00 0.62 H new ATOM 0 HD11 LEU A 77 1.287 -0.120 5.315 1.00 0.90 H new ATOM 0 HD12 LEU A 77 0.007 -1.099 4.560 1.00 0.90 H new ATOM 0 HD13 LEU A 77 1.275 -1.887 5.528 1.00 0.90 H new ATOM 0 HD21 LEU A 77 3.585 -0.173 4.428 1.00 1.35 H new ATOM 0 HD22 LEU A 77 3.667 -1.942 4.603 1.00 1.35 H new ATOM 0 HD23 LEU A 77 3.985 -1.189 3.023 1.00 1.35 H new ATOM 915 N VAL A 78 -1.148 -0.768 1.864 1.00 0.37 N ATOM 916 CA VAL A 78 -1.575 0.355 1.047 1.00 0.36 C ATOM 917 C VAL A 78 -1.020 1.663 1.600 1.00 0.36 C ATOM 918 O VAL A 78 -1.318 2.048 2.732 1.00 0.38 O ATOM 919 CB VAL A 78 -3.114 0.442 0.966 1.00 0.40 C ATOM 920 CG1 VAL A 78 -3.547 1.617 0.100 1.00 1.00 C ATOM 921 CG2 VAL A 78 -3.695 -0.860 0.431 1.00 1.01 C ATOM 0 H VAL A 78 -1.651 -0.866 2.746 1.00 0.37 H new ATOM 0 HA VAL A 78 -1.185 0.192 0.042 1.00 0.36 H new ATOM 0 HB VAL A 78 -3.498 0.604 1.973 1.00 0.40 H new ATOM 0 HG11 VAL A 78 -4.635 1.657 0.059 1.00 1.00 H new ATOM 0 HG12 VAL A 78 -3.166 2.544 0.528 1.00 1.00 H new ATOM 0 HG13 VAL A 78 -3.150 1.492 -0.907 1.00 1.00 H new ATOM 0 HG21 VAL A 78 -4.781 -0.780 0.381 1.00 1.01 H new ATOM 0 HG22 VAL A 78 -3.299 -1.053 -0.566 1.00 1.01 H new ATOM 0 HG23 VAL A 78 -3.422 -1.680 1.095 1.00 1.01 H new ATOM 931 N LEU A 79 -0.205 2.332 0.801 1.00 0.38 N ATOM 932 CA LEU A 79 0.385 3.599 1.193 1.00 0.40 C ATOM 933 C LEU A 79 -0.401 4.753 0.591 1.00 0.37 C ATOM 934 O LEU A 79 -0.436 4.922 -0.628 1.00 0.41 O ATOM 935 CB LEU A 79 1.840 3.698 0.730 1.00 0.46 C ATOM 936 CG LEU A 79 2.789 2.608 1.223 1.00 0.58 C ATOM 937 CD1 LEU A 79 4.222 2.966 0.877 1.00 1.23 C ATOM 938 CD2 LEU A 79 2.638 2.389 2.722 1.00 1.37 C ATOM 0 H LEU A 79 0.064 2.014 -0.130 1.00 0.38 H new ATOM 0 HA LEU A 79 0.354 3.654 2.281 1.00 0.40 H new ATOM 0 HB2 LEU A 79 1.852 3.693 -0.360 1.00 0.46 H new ATOM 0 HB3 LEU A 79 2.234 4.663 1.049 1.00 0.46 H new ATOM 0 HG LEU A 79 2.530 1.676 0.721 1.00 0.58 H new ATOM 0 HD11 LEU A 79 4.889 2.181 1.234 1.00 1.23 H new ATOM 0 HD12 LEU A 79 4.322 3.064 -0.204 1.00 1.23 H new ATOM 0 HD13 LEU A 79 4.486 3.911 1.353 1.00 1.23 H new ATOM 0 HD21 LEU A 79 3.325 1.608 3.047 1.00 1.37 H new ATOM 0 HD22 LEU A 79 2.866 3.315 3.250 1.00 1.37 H new ATOM 0 HD23 LEU A 79 1.614 2.087 2.944 1.00 1.37 H new ATOM 950 N ILE A 80 -1.033 5.537 1.443 1.00 0.41 N ATOM 951 CA ILE A 80 -1.755 6.712 0.995 1.00 0.43 C ATOM 952 C ILE A 80 -1.062 7.967 1.505 1.00 0.41 C ATOM 953 O ILE A 80 -0.776 8.093 2.695 1.00 0.42 O ATOM 954 CB ILE A 80 -3.234 6.682 1.438 1.00 0.54 C ATOM 955 CG1 ILE A 80 -3.352 6.364 2.934 1.00 1.23 C ATOM 956 CG2 ILE A 80 -4.000 5.662 0.607 1.00 1.39 C ATOM 957 CD1 ILE A 80 -4.780 6.285 3.428 1.00 1.40 C ATOM 0 H ILE A 80 -1.061 5.381 2.451 1.00 0.41 H new ATOM 0 HA ILE A 80 -1.750 6.718 -0.095 1.00 0.43 H new ATOM 0 HB ILE A 80 -3.668 7.668 1.274 1.00 0.54 H new ATOM 0 HG12 ILE A 80 -2.854 5.415 3.135 1.00 1.23 H new ATOM 0 HG13 ILE A 80 -2.822 7.129 3.502 1.00 1.23 H new ATOM 0 HG21 ILE A 80 -5.043 5.644 0.923 1.00 1.39 H new ATOM 0 HG22 ILE A 80 -3.945 5.936 -0.447 1.00 1.39 H new ATOM 0 HG23 ILE A 80 -3.561 4.674 0.749 1.00 1.39 H new ATOM 0 HD11 ILE A 80 -4.784 6.057 4.494 1.00 1.40 H new ATOM 0 HD12 ILE A 80 -5.277 7.240 3.259 1.00 1.40 H new ATOM 0 HD13 ILE A 80 -5.309 5.501 2.887 1.00 1.40 H new ATOM 969 N THR A 81 -0.759 8.880 0.600 1.00 0.60 N ATOM 970 CA THR A 81 0.051 10.030 0.946 1.00 0.69 C ATOM 971 C THR A 81 -0.803 11.281 1.138 1.00 0.79 C ATOM 972 O THR A 81 -1.807 11.479 0.448 1.00 1.20 O ATOM 973 CB THR A 81 1.150 10.281 -0.113 1.00 1.13 C ATOM 974 OG1 THR A 81 2.049 11.299 0.346 1.00 2.07 O ATOM 975 CG2 THR A 81 0.553 10.685 -1.455 1.00 1.92 C ATOM 0 H THR A 81 -1.060 8.847 -0.374 1.00 0.60 H new ATOM 0 HA THR A 81 0.537 9.806 1.896 1.00 0.69 H new ATOM 0 HB THR A 81 1.695 9.348 -0.255 1.00 1.13 H new ATOM 0 HG1 THR A 81 2.173 11.214 1.314 1.00 2.07 H new ATOM 0 HG21 THR A 81 1.355 10.853 -2.174 1.00 1.92 H new ATOM 0 HG22 THR A 81 -0.099 9.890 -1.817 1.00 1.92 H new ATOM 0 HG23 THR A 81 -0.025 11.601 -1.335 1.00 1.92 H new ATOM 983 N GLY A 82 -0.412 12.106 2.103 1.00 0.73 N ATOM 984 CA GLY A 82 -1.137 13.328 2.385 1.00 1.09 C ATOM 985 C GLY A 82 -2.418 13.066 3.150 1.00 0.92 C ATOM 986 O GLY A 82 -2.622 11.969 3.668 1.00 1.03 O ATOM 0 H GLY A 82 0.401 11.947 2.698 1.00 0.73 H new ATOM 0 HA2 GLY A 82 -0.502 14.001 2.961 1.00 1.09 H new ATOM 0 HA3 GLY A 82 -1.371 13.834 1.449 1.00 1.09 H new ATOM 990 N SER A 83 -3.278 14.066 3.222 1.00 1.03 N ATOM 991 CA SER A 83 -4.553 13.922 3.902 1.00 1.19 C ATOM 992 C SER A 83 -5.675 13.747 2.885 1.00 1.10 C ATOM 993 O SER A 83 -6.008 14.676 2.144 1.00 1.22 O ATOM 994 CB SER A 83 -4.818 15.141 4.789 1.00 1.61 C ATOM 995 OG SER A 83 -3.784 15.305 5.750 1.00 2.22 O ATOM 0 H SER A 83 -3.116 14.988 2.817 1.00 1.03 H new ATOM 0 HA SER A 83 -4.518 13.035 4.534 1.00 1.19 H new ATOM 0 HB2 SER A 83 -4.891 16.036 4.171 1.00 1.61 H new ATOM 0 HB3 SER A 83 -5.776 15.025 5.296 1.00 1.61 H new ATOM 0 HG SER A 83 -3.974 16.091 6.304 1.00 2.22 H new ATOM 1001 N ALA A 84 -6.235 12.546 2.839 1.00 1.02 N ATOM 1002 CA ALA A 84 -7.327 12.241 1.927 1.00 0.95 C ATOM 1003 C ALA A 84 -8.585 13.005 2.319 1.00 0.97 C ATOM 1004 O ALA A 84 -8.922 13.098 3.502 1.00 1.13 O ATOM 1005 CB ALA A 84 -7.599 10.744 1.917 1.00 0.97 C ATOM 0 H ALA A 84 -5.948 11.763 3.427 1.00 1.02 H new ATOM 0 HA ALA A 84 -7.036 12.553 0.924 1.00 0.95 H new ATOM 0 HB1 ALA A 84 -8.418 10.528 1.231 1.00 0.97 H new ATOM 0 HB2 ALA A 84 -6.704 10.214 1.592 1.00 0.97 H new ATOM 0 HB3 ALA A 84 -7.870 10.417 2.921 1.00 0.97 H new ATOM 1011 N ASP A 85 -9.260 13.558 1.320 1.00 0.89 N ATOM 1012 CA ASP A 85 -10.497 14.305 1.533 1.00 0.93 C ATOM 1013 C ASP A 85 -11.553 13.403 2.164 1.00 0.81 C ATOM 1014 O ASP A 85 -11.612 12.217 1.851 1.00 0.71 O ATOM 1015 CB ASP A 85 -11.010 14.877 0.206 1.00 1.02 C ATOM 1016 CG ASP A 85 -10.059 15.890 -0.403 1.00 1.39 C ATOM 1017 OD1 ASP A 85 -9.080 15.471 -1.060 1.00 2.07 O ATOM 1018 OD2 ASP A 85 -10.285 17.109 -0.232 1.00 1.92 O ATOM 0 H ASP A 85 -8.969 13.503 0.344 1.00 0.89 H new ATOM 0 HA ASP A 85 -10.293 15.133 2.211 1.00 0.93 H new ATOM 0 HB2 ASP A 85 -11.166 14.061 -0.500 1.00 1.02 H new ATOM 0 HB3 ASP A 85 -11.980 15.348 0.369 1.00 1.02 H new ATOM 1023 N PRO A 86 -12.393 13.967 3.057 1.00 0.92 N ATOM 1024 CA PRO A 86 -13.404 13.229 3.838 1.00 0.95 C ATOM 1025 C PRO A 86 -14.100 12.093 3.080 1.00 0.85 C ATOM 1026 O PRO A 86 -14.202 10.972 3.587 1.00 0.88 O ATOM 1027 CB PRO A 86 -14.404 14.324 4.188 1.00 1.11 C ATOM 1028 CG PRO A 86 -13.568 15.544 4.355 1.00 1.30 C ATOM 1029 CD PRO A 86 -12.417 15.408 3.389 1.00 1.11 C ATOM 0 HA PRO A 86 -12.950 12.718 4.687 1.00 0.95 H new ATOM 0 HB2 PRO A 86 -15.144 14.454 3.399 1.00 1.11 H new ATOM 0 HB3 PRO A 86 -14.950 14.087 5.101 1.00 1.11 H new ATOM 0 HG2 PRO A 86 -14.147 16.443 4.145 1.00 1.30 H new ATOM 0 HG3 PRO A 86 -13.207 15.630 5.380 1.00 1.30 H new ATOM 0 HD2 PRO A 86 -12.569 16.020 2.500 1.00 1.11 H new ATOM 0 HD3 PRO A 86 -11.478 15.729 3.840 1.00 1.11 H new ATOM 1037 N ASP A 87 -14.578 12.378 1.876 1.00 0.82 N ATOM 1038 CA ASP A 87 -15.281 11.377 1.074 1.00 0.86 C ATOM 1039 C ASP A 87 -14.367 10.207 0.729 1.00 0.74 C ATOM 1040 O ASP A 87 -14.716 9.048 0.949 1.00 0.79 O ATOM 1041 CB ASP A 87 -15.828 11.997 -0.209 1.00 1.02 C ATOM 1042 CG ASP A 87 -16.529 10.977 -1.085 1.00 1.66 C ATOM 1043 OD1 ASP A 87 -15.966 10.596 -2.134 1.00 2.43 O ATOM 1044 OD2 ASP A 87 -17.656 10.565 -0.734 1.00 2.21 O ATOM 0 H ASP A 87 -14.494 13.292 1.431 1.00 0.82 H new ATOM 0 HA ASP A 87 -16.113 11.005 1.672 1.00 0.86 H new ATOM 0 HB2 ASP A 87 -16.525 12.796 0.044 1.00 1.02 H new ATOM 0 HB3 ASP A 87 -15.010 12.452 -0.768 1.00 1.02 H new ATOM 1049 N GLU A 88 -13.189 10.519 0.203 1.00 0.68 N ATOM 1050 CA GLU A 88 -12.227 9.495 -0.183 1.00 0.67 C ATOM 1051 C GLU A 88 -11.656 8.805 1.053 1.00 0.55 C ATOM 1052 O GLU A 88 -11.316 7.624 1.014 1.00 0.54 O ATOM 1053 CB GLU A 88 -11.110 10.108 -1.026 1.00 0.80 C ATOM 1054 CG GLU A 88 -11.610 10.719 -2.326 1.00 1.02 C ATOM 1055 CD GLU A 88 -10.493 11.281 -3.175 1.00 1.68 C ATOM 1056 OE1 GLU A 88 -10.206 12.490 -3.067 1.00 2.37 O ATOM 1057 OE2 GLU A 88 -9.887 10.517 -3.954 1.00 2.32 O ATOM 0 H GLU A 88 -12.877 11.475 0.034 1.00 0.68 H new ATOM 0 HA GLU A 88 -12.739 8.744 -0.785 1.00 0.67 H new ATOM 0 HB2 GLU A 88 -10.602 10.876 -0.442 1.00 0.80 H new ATOM 0 HB3 GLU A 88 -10.371 9.340 -1.253 1.00 0.80 H new ATOM 0 HG2 GLU A 88 -12.147 9.961 -2.896 1.00 1.02 H new ATOM 0 HG3 GLU A 88 -12.323 11.512 -2.099 1.00 1.02 H new ATOM 1064 N LYS A 89 -11.564 9.558 2.143 1.00 0.57 N ATOM 1065 CA LYS A 89 -11.171 9.016 3.439 1.00 0.62 C ATOM 1066 C LYS A 89 -12.150 7.924 3.862 1.00 0.59 C ATOM 1067 O LYS A 89 -11.749 6.848 4.299 1.00 0.64 O ATOM 1068 CB LYS A 89 -11.151 10.142 4.480 1.00 0.77 C ATOM 1069 CG LYS A 89 -10.824 9.698 5.899 1.00 1.34 C ATOM 1070 CD LYS A 89 -9.351 9.359 6.073 1.00 1.77 C ATOM 1071 CE LYS A 89 -9.022 9.105 7.536 1.00 2.39 C ATOM 1072 NZ LYS A 89 -7.575 8.852 7.757 1.00 2.81 N ATOM 0 H LYS A 89 -11.759 10.559 2.154 1.00 0.57 H new ATOM 0 HA LYS A 89 -10.174 8.582 3.364 1.00 0.62 H new ATOM 0 HB2 LYS A 89 -10.420 10.889 4.171 1.00 0.77 H new ATOM 0 HB3 LYS A 89 -12.125 10.631 4.483 1.00 0.77 H new ATOM 0 HG2 LYS A 89 -11.097 10.489 6.597 1.00 1.34 H new ATOM 0 HG3 LYS A 89 -11.428 8.827 6.153 1.00 1.34 H new ATOM 0 HD2 LYS A 89 -9.104 8.477 5.482 1.00 1.77 H new ATOM 0 HD3 LYS A 89 -8.738 10.177 5.695 1.00 1.77 H new ATOM 0 HE2 LYS A 89 -9.332 9.965 8.130 1.00 2.39 H new ATOM 0 HE3 LYS A 89 -9.596 8.249 7.891 1.00 2.39 H new ATOM 0 HZ1 LYS A 89 -7.402 8.685 8.769 1.00 2.81 H new ATOM 0 HZ2 LYS A 89 -7.282 8.016 7.213 1.00 2.81 H new ATOM 0 HZ3 LYS A 89 -7.026 9.678 7.444 1.00 2.81 H new ATOM 1086 N THR A 90 -13.437 8.210 3.704 1.00 0.62 N ATOM 1087 CA THR A 90 -14.489 7.264 4.042 1.00 0.69 C ATOM 1088 C THR A 90 -14.526 6.108 3.043 1.00 0.62 C ATOM 1089 O THR A 90 -14.702 4.948 3.421 1.00 0.69 O ATOM 1090 CB THR A 90 -15.859 7.966 4.071 1.00 0.86 C ATOM 1091 OG1 THR A 90 -15.810 9.090 4.966 1.00 1.33 O ATOM 1092 CG2 THR A 90 -16.955 7.009 4.514 1.00 1.17 C ATOM 0 H THR A 90 -13.778 9.100 3.340 1.00 0.62 H new ATOM 0 HA THR A 90 -14.271 6.864 5.032 1.00 0.69 H new ATOM 0 HB THR A 90 -16.088 8.308 3.062 1.00 0.86 H new ATOM 0 HG1 THR A 90 -15.266 9.801 4.568 1.00 1.33 H new ATOM 0 HG21 THR A 90 -17.912 7.531 4.525 1.00 1.17 H new ATOM 0 HG22 THR A 90 -17.008 6.170 3.820 1.00 1.17 H new ATOM 0 HG23 THR A 90 -16.732 6.639 5.515 1.00 1.17 H new ATOM 1100 N LYS A 91 -14.352 6.439 1.770 1.00 0.57 N ATOM 1101 CA LYS A 91 -14.320 5.443 0.706 1.00 0.64 C ATOM 1102 C LYS A 91 -13.234 4.404 0.973 1.00 0.63 C ATOM 1103 O LYS A 91 -13.475 3.195 0.893 1.00 0.73 O ATOM 1104 CB LYS A 91 -14.064 6.127 -0.635 1.00 0.73 C ATOM 1105 CG LYS A 91 -15.188 5.967 -1.645 1.00 1.06 C ATOM 1106 CD LYS A 91 -16.488 6.590 -1.160 1.00 1.51 C ATOM 1107 CE LYS A 91 -17.569 6.517 -2.227 1.00 1.83 C ATOM 1108 NZ LYS A 91 -17.853 5.116 -2.642 1.00 2.41 N ATOM 0 H LYS A 91 -14.230 7.399 1.447 1.00 0.57 H new ATOM 0 HA LYS A 91 -15.284 4.936 0.676 1.00 0.64 H new ATOM 0 HB2 LYS A 91 -13.897 7.190 -0.461 1.00 0.73 H new ATOM 0 HB3 LYS A 91 -13.146 5.726 -1.064 1.00 0.73 H new ATOM 0 HG2 LYS A 91 -14.895 6.429 -2.588 1.00 1.06 H new ATOM 0 HG3 LYS A 91 -15.347 4.907 -1.845 1.00 1.06 H new ATOM 0 HD2 LYS A 91 -16.827 6.076 -0.261 1.00 1.51 H new ATOM 0 HD3 LYS A 91 -16.315 7.631 -0.886 1.00 1.51 H new ATOM 0 HE2 LYS A 91 -18.483 6.975 -1.848 1.00 1.83 H new ATOM 0 HE3 LYS A 91 -17.259 7.096 -3.097 1.00 1.83 H new ATOM 0 HZ1 LYS A 91 -18.694 5.099 -3.253 1.00 2.41 H new ATOM 0 HZ2 LYS A 91 -17.038 4.737 -3.164 1.00 2.41 H new ATOM 0 HZ3 LYS A 91 -18.026 4.532 -1.799 1.00 2.41 H new ATOM 1122 N ALA A 92 -12.043 4.889 1.308 1.00 0.58 N ATOM 1123 CA ALA A 92 -10.914 4.021 1.603 1.00 0.67 C ATOM 1124 C ALA A 92 -11.115 3.312 2.933 1.00 0.68 C ATOM 1125 O ALA A 92 -10.702 2.169 3.104 1.00 0.78 O ATOM 1126 CB ALA A 92 -9.621 4.823 1.620 1.00 0.74 C ATOM 0 H ALA A 92 -11.836 5.885 1.382 1.00 0.58 H new ATOM 0 HA ALA A 92 -10.847 3.266 0.819 1.00 0.67 H new ATOM 0 HB1 ALA A 92 -8.785 4.160 1.842 1.00 0.74 H new ATOM 0 HB2 ALA A 92 -9.468 5.287 0.646 1.00 0.74 H new ATOM 0 HB3 ALA A 92 -9.683 5.597 2.385 1.00 0.74 H new ATOM 1132 N LYS A 93 -11.763 3.999 3.867 1.00 0.64 N ATOM 1133 CA LYS A 93 -12.032 3.443 5.185 1.00 0.71 C ATOM 1134 C LYS A 93 -12.865 2.171 5.074 1.00 0.70 C ATOM 1135 O LYS A 93 -12.504 1.131 5.630 1.00 0.79 O ATOM 1136 CB LYS A 93 -12.757 4.473 6.055 1.00 0.80 C ATOM 1137 CG LYS A 93 -12.999 4.017 7.485 1.00 1.09 C ATOM 1138 CD LYS A 93 -11.693 3.763 8.219 1.00 1.56 C ATOM 1139 CE LYS A 93 -11.936 3.390 9.671 1.00 2.00 C ATOM 1140 NZ LYS A 93 -12.626 4.476 10.415 1.00 2.44 N ATOM 0 H LYS A 93 -12.113 4.948 3.733 1.00 0.64 H new ATOM 0 HA LYS A 93 -11.080 3.192 5.652 1.00 0.71 H new ATOM 0 HB2 LYS A 93 -12.173 5.393 6.072 1.00 0.80 H new ATOM 0 HB3 LYS A 93 -13.715 4.712 5.594 1.00 0.80 H new ATOM 0 HG2 LYS A 93 -13.575 4.775 8.017 1.00 1.09 H new ATOM 0 HG3 LYS A 93 -13.598 3.106 7.481 1.00 1.09 H new ATOM 0 HD2 LYS A 93 -11.145 2.962 7.723 1.00 1.56 H new ATOM 0 HD3 LYS A 93 -11.068 4.654 8.171 1.00 1.56 H new ATOM 0 HE2 LYS A 93 -12.536 2.481 9.717 1.00 2.00 H new ATOM 0 HE3 LYS A 93 -10.984 3.168 10.153 1.00 2.00 H new ATOM 0 HZ1 LYS A 93 -12.520 4.318 11.437 1.00 2.44 H new ATOM 0 HZ2 LYS A 93 -12.205 5.393 10.161 1.00 2.44 H new ATOM 0 HZ3 LYS A 93 -13.636 4.478 10.168 1.00 2.44 H new ATOM 1154 N LYS A 94 -13.970 2.254 4.340 1.00 0.66 N ATOM 1155 CA LYS A 94 -14.840 1.102 4.146 1.00 0.71 C ATOM 1156 C LYS A 94 -14.096 -0.017 3.429 1.00 0.67 C ATOM 1157 O LYS A 94 -14.221 -1.190 3.790 1.00 0.74 O ATOM 1158 CB LYS A 94 -16.086 1.475 3.344 1.00 0.78 C ATOM 1159 CG LYS A 94 -16.993 2.490 4.024 1.00 1.36 C ATOM 1160 CD LYS A 94 -18.373 2.511 3.381 1.00 1.79 C ATOM 1161 CE LYS A 94 -18.297 2.810 1.892 1.00 2.57 C ATOM 1162 NZ LYS A 94 -19.591 2.561 1.208 1.00 2.85 N ATOM 0 H LYS A 94 -14.283 3.104 3.872 1.00 0.66 H new ATOM 0 HA LYS A 94 -15.149 0.758 5.133 1.00 0.71 H new ATOM 0 HB2 LYS A 94 -15.775 1.874 2.378 1.00 0.78 H new ATOM 0 HB3 LYS A 94 -16.659 0.570 3.145 1.00 0.78 H new ATOM 0 HG2 LYS A 94 -17.086 2.248 5.083 1.00 1.36 H new ATOM 0 HG3 LYS A 94 -16.545 3.482 3.962 1.00 1.36 H new ATOM 0 HD2 LYS A 94 -18.860 1.548 3.534 1.00 1.79 H new ATOM 0 HD3 LYS A 94 -18.991 3.263 3.872 1.00 1.79 H new ATOM 0 HE2 LYS A 94 -18.004 3.850 1.745 1.00 2.57 H new ATOM 0 HE3 LYS A 94 -17.522 2.193 1.437 1.00 2.57 H new ATOM 0 HZ1 LYS A 94 -19.496 2.777 0.195 1.00 2.85 H new ATOM 0 HZ2 LYS A 94 -19.859 1.563 1.325 1.00 2.85 H new ATOM 0 HZ3 LYS A 94 -20.326 3.168 1.624 1.00 2.85 H new ATOM 1176 N ALA A 95 -13.321 0.359 2.419 1.00 0.60 N ATOM 1177 CA ALA A 95 -12.552 -0.600 1.638 1.00 0.60 C ATOM 1178 C ALA A 95 -11.545 -1.334 2.514 1.00 0.57 C ATOM 1179 O ALA A 95 -11.512 -2.563 2.539 1.00 0.57 O ATOM 1180 CB ALA A 95 -11.843 0.106 0.494 1.00 0.63 C ATOM 0 H ALA A 95 -13.209 1.328 2.121 1.00 0.60 H new ATOM 0 HA ALA A 95 -13.241 -1.337 1.226 1.00 0.60 H new ATOM 0 HB1 ALA A 95 -11.271 -0.620 -0.083 1.00 0.63 H new ATOM 0 HB2 ALA A 95 -12.580 0.583 -0.152 1.00 0.63 H new ATOM 0 HB3 ALA A 95 -11.169 0.862 0.895 1.00 0.63 H new ATOM 1186 N ALA A 96 -10.753 -0.569 3.258 1.00 0.57 N ATOM 1187 CA ALA A 96 -9.689 -1.124 4.086 1.00 0.58 C ATOM 1188 C ALA A 96 -10.231 -2.039 5.180 1.00 0.56 C ATOM 1189 O ALA A 96 -9.599 -3.031 5.530 1.00 0.59 O ATOM 1190 CB ALA A 96 -8.863 -0.004 4.700 1.00 0.64 C ATOM 0 H ALA A 96 -10.830 0.447 3.304 1.00 0.57 H new ATOM 0 HA ALA A 96 -9.055 -1.730 3.439 1.00 0.58 H new ATOM 0 HB1 ALA A 96 -8.072 -0.431 5.316 1.00 0.64 H new ATOM 0 HB2 ALA A 96 -8.420 0.598 3.907 1.00 0.64 H new ATOM 0 HB3 ALA A 96 -9.504 0.625 5.318 1.00 0.64 H new ATOM 1196 N GLU A 97 -11.398 -1.709 5.719 1.00 0.57 N ATOM 1197 CA GLU A 97 -11.976 -2.508 6.793 1.00 0.63 C ATOM 1198 C GLU A 97 -12.385 -3.888 6.283 1.00 0.55 C ATOM 1199 O GLU A 97 -12.201 -4.892 6.972 1.00 0.58 O ATOM 1200 CB GLU A 97 -13.168 -1.790 7.430 1.00 0.80 C ATOM 1201 CG GLU A 97 -13.691 -2.487 8.676 1.00 1.46 C ATOM 1202 CD GLU A 97 -14.687 -1.648 9.445 1.00 1.94 C ATOM 1203 OE1 GLU A 97 -14.252 -0.777 10.230 1.00 2.62 O ATOM 1204 OE2 GLU A 97 -15.905 -1.856 9.276 1.00 2.39 O ATOM 0 H GLU A 97 -11.957 -0.904 5.435 1.00 0.57 H new ATOM 0 HA GLU A 97 -11.213 -2.641 7.560 1.00 0.63 H new ATOM 0 HB2 GLU A 97 -12.876 -0.772 7.687 1.00 0.80 H new ATOM 0 HB3 GLU A 97 -13.973 -1.716 6.698 1.00 0.80 H new ATOM 0 HG2 GLU A 97 -14.161 -3.428 8.390 1.00 1.46 H new ATOM 0 HG3 GLU A 97 -12.852 -2.734 9.327 1.00 1.46 H new ATOM 1211 N GLU A 98 -12.921 -3.940 5.069 1.00 0.55 N ATOM 1212 CA GLU A 98 -13.296 -5.212 4.464 1.00 0.57 C ATOM 1213 C GLU A 98 -12.057 -5.946 3.964 1.00 0.52 C ATOM 1214 O GLU A 98 -11.926 -7.156 4.131 1.00 0.60 O ATOM 1215 CB GLU A 98 -14.273 -4.998 3.306 1.00 0.66 C ATOM 1216 CG GLU A 98 -15.579 -4.341 3.718 1.00 1.40 C ATOM 1217 CD GLU A 98 -16.571 -4.268 2.576 1.00 1.82 C ATOM 1218 OE1 GLU A 98 -17.525 -5.072 2.560 1.00 2.06 O ATOM 1219 OE2 GLU A 98 -16.400 -3.405 1.684 1.00 2.66 O ATOM 0 H GLU A 98 -13.105 -3.122 4.488 1.00 0.55 H new ATOM 0 HA GLU A 98 -13.787 -5.817 5.226 1.00 0.57 H new ATOM 0 HB2 GLU A 98 -13.792 -4.383 2.546 1.00 0.66 H new ATOM 0 HB3 GLU A 98 -14.491 -5.961 2.845 1.00 0.66 H new ATOM 0 HG2 GLU A 98 -16.020 -4.900 4.544 1.00 1.40 H new ATOM 0 HG3 GLU A 98 -15.377 -3.335 4.086 1.00 1.40 H new ATOM 1226 N ALA A 99 -11.138 -5.195 3.377 1.00 0.46 N ATOM 1227 CA ALA A 99 -9.923 -5.760 2.804 1.00 0.49 C ATOM 1228 C ALA A 99 -8.969 -6.259 3.886 1.00 0.46 C ATOM 1229 O ALA A 99 -8.048 -7.033 3.614 1.00 0.50 O ATOM 1230 CB ALA A 99 -9.236 -4.723 1.932 1.00 0.58 C ATOM 0 H ALA A 99 -11.211 -4.182 3.284 1.00 0.46 H new ATOM 0 HA ALA A 99 -10.204 -6.619 2.194 1.00 0.49 H new ATOM 0 HB1 ALA A 99 -8.328 -5.150 1.506 1.00 0.58 H new ATOM 0 HB2 ALA A 99 -9.907 -4.421 1.128 1.00 0.58 H new ATOM 0 HB3 ALA A 99 -8.979 -3.853 2.536 1.00 0.58 H new ATOM 1236 N ARG A 100 -9.206 -5.828 5.121 1.00 0.47 N ATOM 1237 CA ARG A 100 -8.358 -6.199 6.249 1.00 0.53 C ATOM 1238 C ARG A 100 -8.390 -7.710 6.488 1.00 0.51 C ATOM 1239 O ARG A 100 -7.508 -8.261 7.149 1.00 0.56 O ATOM 1240 CB ARG A 100 -8.793 -5.443 7.507 1.00 0.64 C ATOM 1241 CG ARG A 100 -7.800 -5.539 8.654 1.00 1.22 C ATOM 1242 CD ARG A 100 -8.202 -4.643 9.812 1.00 1.52 C ATOM 1243 NE ARG A 100 -7.203 -4.642 10.879 1.00 2.17 N ATOM 1244 CZ ARG A 100 -6.973 -3.605 11.682 1.00 2.86 C ATOM 1245 NH1 ARG A 100 -7.686 -2.491 11.557 1.00 2.99 N ATOM 1246 NH2 ARG A 100 -6.031 -3.685 12.614 1.00 3.77 N ATOM 0 H ARG A 100 -9.985 -5.217 5.367 1.00 0.47 H new ATOM 0 HA ARG A 100 -7.331 -5.922 6.012 1.00 0.53 H new ATOM 0 HB2 ARG A 100 -8.943 -4.393 7.255 1.00 0.64 H new ATOM 0 HB3 ARG A 100 -9.756 -5.832 7.839 1.00 0.64 H new ATOM 0 HG2 ARG A 100 -7.736 -6.572 8.996 1.00 1.22 H new ATOM 0 HG3 ARG A 100 -6.807 -5.258 8.302 1.00 1.22 H new ATOM 0 HD2 ARG A 100 -8.345 -3.625 9.449 1.00 1.52 H new ATOM 0 HD3 ARG A 100 -9.159 -4.977 10.213 1.00 1.52 H new ATOM 0 HE ARG A 100 -6.648 -5.487 11.017 1.00 2.17 H new ATOM 0 HH11 ARG A 100 -8.413 -2.428 10.844 1.00 2.99 H new ATOM 0 HH12 ARG A 100 -7.507 -1.699 12.174 1.00 2.99 H new ATOM 0 HH21 ARG A 100 -5.484 -4.540 12.714 1.00 3.77 H new ATOM 0 HH22 ARG A 100 -5.854 -2.891 13.230 1.00 3.77 H new ATOM 1260 N LYS A 101 -9.395 -8.376 5.926 1.00 0.51 N ATOM 1261 CA LYS A 101 -9.494 -9.832 6.002 1.00 0.58 C ATOM 1262 C LYS A 101 -8.264 -10.483 5.374 1.00 0.63 C ATOM 1263 O LYS A 101 -7.770 -11.504 5.853 1.00 0.81 O ATOM 1264 CB LYS A 101 -10.754 -10.317 5.286 1.00 0.74 C ATOM 1265 CG LYS A 101 -12.042 -9.778 5.883 1.00 1.37 C ATOM 1266 CD LYS A 101 -13.240 -10.140 5.024 1.00 1.81 C ATOM 1267 CE LYS A 101 -14.531 -9.598 5.611 1.00 2.63 C ATOM 1268 NZ LYS A 101 -14.850 -10.217 6.922 1.00 3.24 N ATOM 0 H LYS A 101 -10.154 -7.930 5.412 1.00 0.51 H new ATOM 0 HA LYS A 101 -9.549 -10.117 7.053 1.00 0.58 H new ATOM 0 HB2 LYS A 101 -10.700 -10.025 4.237 1.00 0.74 H new ATOM 0 HB3 LYS A 101 -10.780 -11.406 5.313 1.00 0.74 H new ATOM 0 HG2 LYS A 101 -12.177 -10.180 6.887 1.00 1.37 H new ATOM 0 HG3 LYS A 101 -11.975 -8.694 5.980 1.00 1.37 H new ATOM 0 HD2 LYS A 101 -13.101 -9.742 4.019 1.00 1.81 H new ATOM 0 HD3 LYS A 101 -13.308 -11.224 4.931 1.00 1.81 H new ATOM 0 HE2 LYS A 101 -14.449 -8.518 5.731 1.00 2.63 H new ATOM 0 HE3 LYS A 101 -15.350 -9.780 4.915 1.00 2.63 H new ATOM 0 HZ1 LYS A 101 -15.820 -9.963 7.199 1.00 3.24 H new ATOM 0 HZ2 LYS A 101 -14.771 -11.251 6.846 1.00 3.24 H new ATOM 0 HZ3 LYS A 101 -14.183 -9.871 7.641 1.00 3.24 H new ATOM 1282 N TRP A 102 -7.764 -9.871 4.307 1.00 0.57 N ATOM 1283 CA TRP A 102 -6.574 -10.357 3.626 1.00 0.71 C ATOM 1284 C TRP A 102 -5.367 -9.534 4.051 1.00 0.64 C ATOM 1285 O TRP A 102 -4.339 -9.514 3.377 1.00 0.73 O ATOM 1286 CB TRP A 102 -6.759 -10.283 2.109 1.00 0.84 C ATOM 1287 CG TRP A 102 -7.928 -11.080 1.618 1.00 1.11 C ATOM 1288 CD1 TRP A 102 -7.916 -12.378 1.197 1.00 2.13 C ATOM 1289 CD2 TRP A 102 -9.281 -10.628 1.501 1.00 1.10 C ATOM 1290 NE1 TRP A 102 -9.182 -12.763 0.827 1.00 2.16 N ATOM 1291 CE2 TRP A 102 -10.037 -11.705 1.003 1.00 1.38 C ATOM 1292 CE3 TRP A 102 -9.926 -9.418 1.769 1.00 2.00 C ATOM 1293 CZ2 TRP A 102 -11.407 -11.604 0.770 1.00 1.59 C ATOM 1294 CZ3 TRP A 102 -11.284 -9.321 1.538 1.00 2.65 C ATOM 1295 CH2 TRP A 102 -12.011 -10.409 1.042 1.00 2.21 C ATOM 0 H TRP A 102 -8.169 -9.031 3.894 1.00 0.57 H new ATOM 0 HA TRP A 102 -6.410 -11.399 3.901 1.00 0.71 H new ATOM 0 HB2 TRP A 102 -6.889 -9.241 1.816 1.00 0.84 H new ATOM 0 HB3 TRP A 102 -5.853 -10.641 1.621 1.00 0.84 H new ATOM 0 HD1 TRP A 102 -7.041 -13.009 1.160 1.00 2.13 H new ATOM 0 HE1 TRP A 102 -9.443 -13.685 0.478 1.00 2.16 H new ATOM 0 HE3 TRP A 102 -9.372 -8.573 2.150 1.00 2.00 H new ATOM 0 HZ2 TRP A 102 -11.972 -12.441 0.388 1.00 1.59 H new ATOM 0 HZ3 TRP A 102 -11.793 -8.391 1.743 1.00 2.65 H new ATOM 0 HH2 TRP A 102 -13.072 -10.302 0.871 1.00 2.21 H new ATOM 1306 N ASN A 103 -5.528 -8.841 5.175 1.00 0.56 N ATOM 1307 CA ASN A 103 -4.469 -8.024 5.768 1.00 0.64 C ATOM 1308 C ASN A 103 -4.099 -6.849 4.877 1.00 0.56 C ATOM 1309 O ASN A 103 -2.962 -6.379 4.898 1.00 0.70 O ATOM 1310 CB ASN A 103 -3.223 -8.859 6.087 1.00 0.89 C ATOM 1311 CG ASN A 103 -3.388 -9.721 7.325 1.00 1.17 C ATOM 1312 OD1 ASN A 103 -2.429 -9.954 8.059 1.00 1.58 O ATOM 1313 ND2 ASN A 103 -4.596 -10.211 7.560 1.00 2.00 N ATOM 0 H ASN A 103 -6.400 -8.829 5.704 1.00 0.56 H new ATOM 0 HA ASN A 103 -4.866 -7.630 6.704 1.00 0.64 H new ATOM 0 HB2 ASN A 103 -2.992 -9.498 5.234 1.00 0.89 H new ATOM 0 HB3 ASN A 103 -2.372 -8.193 6.226 1.00 0.89 H new ATOM 0 HD21 ASN A 103 -4.756 -10.805 8.374 1.00 2.00 H new ATOM 0 HD22 ASN A 103 -5.366 -9.995 6.927 1.00 2.00 H new ATOM 1320 N VAL A 104 -5.062 -6.379 4.097 1.00 0.46 N ATOM 1321 CA VAL A 104 -4.874 -5.172 3.313 1.00 0.45 C ATOM 1322 C VAL A 104 -5.062 -3.963 4.218 1.00 0.48 C ATOM 1323 O VAL A 104 -6.187 -3.572 4.528 1.00 0.63 O ATOM 1324 CB VAL A 104 -5.862 -5.095 2.134 1.00 0.45 C ATOM 1325 CG1 VAL A 104 -5.573 -3.883 1.263 1.00 0.73 C ATOM 1326 CG2 VAL A 104 -5.824 -6.375 1.310 1.00 0.99 C ATOM 0 H VAL A 104 -5.978 -6.815 3.992 1.00 0.46 H new ATOM 0 HA VAL A 104 -3.867 -5.186 2.897 1.00 0.45 H new ATOM 0 HB VAL A 104 -6.867 -4.986 2.543 1.00 0.45 H new ATOM 0 HG11 VAL A 104 -6.284 -3.851 0.437 1.00 0.73 H new ATOM 0 HG12 VAL A 104 -5.668 -2.976 1.859 1.00 0.73 H new ATOM 0 HG13 VAL A 104 -4.560 -3.953 0.867 1.00 0.73 H new ATOM 0 HG21 VAL A 104 -6.530 -6.297 0.483 1.00 0.99 H new ATOM 0 HG22 VAL A 104 -4.819 -6.524 0.916 1.00 0.99 H new ATOM 0 HG23 VAL A 104 -6.096 -7.222 1.940 1.00 0.99 H new ATOM 1336 N ARG A 105 -3.954 -3.396 4.664 1.00 0.45 N ATOM 1337 CA ARG A 105 -3.991 -2.318 5.639 1.00 0.48 C ATOM 1338 C ARG A 105 -3.439 -1.027 5.051 1.00 0.44 C ATOM 1339 O ARG A 105 -2.447 -1.037 4.320 1.00 0.51 O ATOM 1340 CB ARG A 105 -3.209 -2.721 6.893 1.00 0.59 C ATOM 1341 CG ARG A 105 -1.761 -3.111 6.622 1.00 1.28 C ATOM 1342 CD ARG A 105 -1.113 -3.741 7.846 1.00 1.72 C ATOM 1343 NE ARG A 105 -1.761 -5.001 8.219 1.00 2.38 N ATOM 1344 CZ ARG A 105 -1.274 -5.855 9.122 1.00 3.11 C ATOM 1345 NH1 ARG A 105 -0.144 -5.583 9.763 1.00 3.33 N ATOM 1346 NH2 ARG A 105 -1.930 -6.978 9.393 1.00 4.06 N ATOM 0 H ARG A 105 -3.016 -3.664 4.366 1.00 0.45 H new ATOM 0 HA ARG A 105 -5.030 -2.137 5.914 1.00 0.48 H new ATOM 0 HB2 ARG A 105 -3.225 -1.892 7.601 1.00 0.59 H new ATOM 0 HB3 ARG A 105 -3.717 -3.558 7.372 1.00 0.59 H new ATOM 0 HG2 ARG A 105 -1.722 -3.811 5.788 1.00 1.28 H new ATOM 0 HG3 ARG A 105 -1.195 -2.228 6.324 1.00 1.28 H new ATOM 0 HD2 ARG A 105 -0.057 -3.921 7.645 1.00 1.72 H new ATOM 0 HD3 ARG A 105 -1.164 -3.045 8.683 1.00 1.72 H new ATOM 0 HE ARG A 105 -2.640 -5.241 7.760 1.00 2.38 H new ATOM 0 HH11 ARG A 105 0.358 -4.717 9.567 1.00 3.33 H new ATOM 0 HH12 ARG A 105 0.222 -6.240 10.452 1.00 3.33 H new ATOM 0 HH21 ARG A 105 -2.805 -7.187 8.911 1.00 4.06 H new ATOM 0 HH22 ARG A 105 -1.559 -7.632 10.083 1.00 4.06 H new ATOM 1360 N VAL A 106 -4.089 0.083 5.373 1.00 0.47 N ATOM 1361 CA VAL A 106 -3.683 1.384 4.864 1.00 0.48 C ATOM 1362 C VAL A 106 -2.804 2.115 5.871 1.00 0.50 C ATOM 1363 O VAL A 106 -2.984 1.981 7.085 1.00 0.64 O ATOM 1364 CB VAL A 106 -4.901 2.271 4.514 1.00 0.63 C ATOM 1365 CG1 VAL A 106 -5.707 1.653 3.386 1.00 1.26 C ATOM 1366 CG2 VAL A 106 -5.783 2.501 5.733 1.00 1.58 C ATOM 0 H VAL A 106 -4.903 0.107 5.987 1.00 0.47 H new ATOM 0 HA VAL A 106 -3.114 1.199 3.953 1.00 0.48 H new ATOM 0 HB VAL A 106 -4.524 3.239 4.183 1.00 0.63 H new ATOM 0 HG11 VAL A 106 -6.559 2.292 3.155 1.00 1.26 H new ATOM 0 HG12 VAL A 106 -5.078 1.553 2.501 1.00 1.26 H new ATOM 0 HG13 VAL A 106 -6.064 0.669 3.690 1.00 1.26 H new ATOM 0 HG21 VAL A 106 -6.631 3.128 5.456 1.00 1.58 H new ATOM 0 HG22 VAL A 106 -6.146 1.543 6.105 1.00 1.58 H new ATOM 0 HG23 VAL A 106 -5.204 2.997 6.512 1.00 1.58 H new ATOM 1376 N ARG A 107 -1.835 2.857 5.361 1.00 0.46 N ATOM 1377 CA ARG A 107 -0.981 3.693 6.189 1.00 0.58 C ATOM 1378 C ARG A 107 -0.742 5.027 5.497 1.00 0.49 C ATOM 1379 O ARG A 107 -0.476 5.073 4.294 1.00 0.48 O ATOM 1380 CB ARG A 107 0.352 2.994 6.481 1.00 0.74 C ATOM 1381 CG ARG A 107 0.215 1.772 7.376 1.00 1.02 C ATOM 1382 CD ARG A 107 1.562 1.132 7.663 1.00 0.90 C ATOM 1383 NE ARG A 107 1.447 -0.021 8.554 1.00 1.58 N ATOM 1384 CZ ARG A 107 2.402 -0.935 8.724 1.00 2.15 C ATOM 1385 NH1 ARG A 107 3.515 -0.890 8.005 1.00 2.26 N ATOM 1386 NH2 ARG A 107 2.243 -1.910 9.602 1.00 3.00 N ATOM 0 H ARG A 107 -1.618 2.897 4.365 1.00 0.46 H new ATOM 0 HA ARG A 107 -1.482 3.869 7.141 1.00 0.58 H new ATOM 0 HB2 ARG A 107 0.810 2.694 5.538 1.00 0.74 H new ATOM 0 HB3 ARG A 107 1.030 3.705 6.953 1.00 0.74 H new ATOM 0 HG2 ARG A 107 -0.259 2.060 8.315 1.00 1.02 H new ATOM 0 HG3 ARG A 107 -0.440 1.043 6.899 1.00 1.02 H new ATOM 0 HD2 ARG A 107 2.021 0.820 6.725 1.00 0.90 H new ATOM 0 HD3 ARG A 107 2.225 1.871 8.112 1.00 0.90 H new ATOM 0 HE ARG A 107 0.580 -0.133 9.080 1.00 1.58 H new ATOM 0 HH11 ARG A 107 3.646 -0.151 7.314 1.00 2.26 H new ATOM 0 HH12 ARG A 107 4.240 -1.594 8.143 1.00 2.26 H new ATOM 0 HH21 ARG A 107 1.386 -1.965 10.153 1.00 3.00 H new ATOM 0 HH22 ARG A 107 2.977 -2.607 9.728 1.00 3.00 H new ATOM 1400 N THR A 108 -0.855 6.107 6.252 1.00 0.56 N ATOM 1401 CA THR A 108 -0.715 7.442 5.701 1.00 0.51 C ATOM 1402 C THR A 108 0.740 7.898 5.743 1.00 0.52 C ATOM 1403 O THR A 108 1.379 7.884 6.797 1.00 0.66 O ATOM 1404 CB THR A 108 -1.594 8.449 6.464 1.00 0.59 C ATOM 1405 OG1 THR A 108 -2.942 7.962 6.524 1.00 0.86 O ATOM 1406 CG2 THR A 108 -1.577 9.810 5.786 1.00 0.68 C ATOM 0 H THR A 108 -1.044 6.083 7.254 1.00 0.56 H new ATOM 0 HA THR A 108 -1.044 7.404 4.663 1.00 0.51 H new ATOM 0 HB THR A 108 -1.194 8.560 7.472 1.00 0.59 H new ATOM 0 HG1 THR A 108 -3.500 8.603 7.012 1.00 0.86 H new ATOM 0 HG21 THR A 108 -2.206 10.503 6.345 1.00 0.68 H new ATOM 0 HG22 THR A 108 -0.556 10.189 5.757 1.00 0.68 H new ATOM 0 HG23 THR A 108 -1.957 9.715 4.769 1.00 0.68 H new ATOM 1414 N VAL A 109 1.259 8.288 4.591 1.00 0.47 N ATOM 1415 CA VAL A 109 2.632 8.753 4.490 1.00 0.55 C ATOM 1416 C VAL A 109 2.678 10.201 4.005 1.00 0.57 C ATOM 1417 O VAL A 109 2.010 10.569 3.041 1.00 0.62 O ATOM 1418 CB VAL A 109 3.474 7.855 3.551 1.00 0.67 C ATOM 1419 CG1 VAL A 109 3.590 6.451 4.121 1.00 1.51 C ATOM 1420 CG2 VAL A 109 2.880 7.803 2.149 1.00 1.05 C ATOM 0 H VAL A 109 0.747 8.292 3.709 1.00 0.47 H new ATOM 0 HA VAL A 109 3.065 8.697 5.489 1.00 0.55 H new ATOM 0 HB VAL A 109 4.469 8.294 3.480 1.00 0.67 H new ATOM 0 HG11 VAL A 109 4.185 5.833 3.448 1.00 1.51 H new ATOM 0 HG12 VAL A 109 4.073 6.493 5.097 1.00 1.51 H new ATOM 0 HG13 VAL A 109 2.595 6.018 4.227 1.00 1.51 H new ATOM 0 HG21 VAL A 109 3.496 7.164 1.516 1.00 1.05 H new ATOM 0 HG22 VAL A 109 1.869 7.399 2.197 1.00 1.05 H new ATOM 0 HG23 VAL A 109 2.850 8.808 1.729 1.00 1.05 H new ATOM 1430 N THR A 110 3.440 11.029 4.693 1.00 0.70 N ATOM 1431 CA THR A 110 3.611 12.414 4.286 1.00 0.84 C ATOM 1432 C THR A 110 5.049 12.685 3.859 1.00 0.84 C ATOM 1433 O THR A 110 5.331 13.664 3.172 1.00 0.97 O ATOM 1434 CB THR A 110 3.198 13.389 5.410 1.00 1.02 C ATOM 1435 OG1 THR A 110 3.692 12.931 6.678 1.00 1.55 O ATOM 1436 CG2 THR A 110 1.684 13.535 5.473 1.00 1.45 C ATOM 0 H THR A 110 3.951 10.769 5.536 1.00 0.70 H new ATOM 0 HA THR A 110 2.956 12.583 3.432 1.00 0.84 H new ATOM 0 HB THR A 110 3.634 14.362 5.186 1.00 1.02 H new ATOM 0 HG1 THR A 110 4.442 12.316 6.534 1.00 1.55 H new ATOM 0 HG21 THR A 110 1.418 14.227 6.272 1.00 1.45 H new ATOM 0 HG22 THR A 110 1.316 13.920 4.522 1.00 1.45 H new ATOM 0 HG23 THR A 110 1.233 12.563 5.670 1.00 1.45 H new ATOM 1444 N SER A 111 5.953 11.804 4.263 1.00 0.79 N ATOM 1445 CA SER A 111 7.354 11.932 3.914 1.00 0.85 C ATOM 1446 C SER A 111 7.923 10.581 3.476 1.00 0.76 C ATOM 1447 O SER A 111 7.408 9.538 3.886 1.00 0.69 O ATOM 1448 CB SER A 111 8.136 12.488 5.109 1.00 0.96 C ATOM 1449 OG SER A 111 7.888 11.725 6.280 1.00 1.52 O ATOM 0 H SER A 111 5.736 10.989 4.836 1.00 0.79 H new ATOM 0 HA SER A 111 7.450 12.625 3.078 1.00 0.85 H new ATOM 0 HB2 SER A 111 9.203 12.480 4.885 1.00 0.96 H new ATOM 0 HB3 SER A 111 7.854 13.527 5.281 1.00 0.96 H new ATOM 0 HG SER A 111 6.923 11.593 6.386 1.00 1.52 H new ATOM 1455 N PRO A 112 8.964 10.572 2.623 1.00 0.82 N ATOM 1456 CA PRO A 112 9.582 9.329 2.135 1.00 0.80 C ATOM 1457 C PRO A 112 9.953 8.365 3.264 1.00 0.70 C ATOM 1458 O PRO A 112 9.717 7.158 3.160 1.00 0.74 O ATOM 1459 CB PRO A 112 10.839 9.822 1.416 1.00 0.95 C ATOM 1460 CG PRO A 112 10.494 11.198 0.969 1.00 1.05 C ATOM 1461 CD PRO A 112 9.605 11.768 2.039 1.00 0.97 C ATOM 0 HA PRO A 112 8.901 8.761 1.501 1.00 0.80 H new ATOM 0 HB2 PRO A 112 11.702 9.825 2.082 1.00 0.95 H new ATOM 0 HB3 PRO A 112 11.091 9.181 0.571 1.00 0.95 H new ATOM 0 HG2 PRO A 112 11.391 11.804 0.843 1.00 1.05 H new ATOM 0 HG3 PRO A 112 9.984 11.179 0.006 1.00 1.05 H new ATOM 0 HD2 PRO A 112 10.177 12.322 2.784 1.00 0.97 H new ATOM 0 HD3 PRO A 112 8.869 12.457 1.625 1.00 0.97 H new ATOM 1469 N ASP A 113 10.503 8.915 4.347 1.00 0.67 N ATOM 1470 CA ASP A 113 10.952 8.115 5.489 1.00 0.66 C ATOM 1471 C ASP A 113 9.850 7.204 6.009 1.00 0.59 C ATOM 1472 O ASP A 113 10.086 6.028 6.278 1.00 0.63 O ATOM 1473 CB ASP A 113 11.437 9.018 6.626 1.00 0.74 C ATOM 1474 CG ASP A 113 12.778 9.650 6.335 1.00 1.73 C ATOM 1475 OD1 ASP A 113 13.815 9.018 6.630 1.00 2.48 O ATOM 1476 OD2 ASP A 113 12.807 10.781 5.807 1.00 2.44 O ATOM 0 H ASP A 113 10.649 9.918 4.458 1.00 0.67 H new ATOM 0 HA ASP A 113 11.776 7.495 5.137 1.00 0.66 H new ATOM 0 HB2 ASP A 113 10.700 9.802 6.801 1.00 0.74 H new ATOM 0 HB3 ASP A 113 11.506 8.434 7.544 1.00 0.74 H new ATOM 1481 N GLU A 114 8.649 7.752 6.135 1.00 0.57 N ATOM 1482 CA GLU A 114 7.511 6.999 6.645 1.00 0.60 C ATOM 1483 C GLU A 114 7.208 5.805 5.750 1.00 0.52 C ATOM 1484 O GLU A 114 7.038 4.687 6.233 1.00 0.52 O ATOM 1485 CB GLU A 114 6.285 7.903 6.742 1.00 0.73 C ATOM 1486 CG GLU A 114 6.491 9.098 7.651 1.00 1.18 C ATOM 1487 CD GLU A 114 5.326 10.053 7.617 1.00 1.99 C ATOM 1488 OE1 GLU A 114 4.494 10.021 8.545 1.00 2.63 O ATOM 1489 OE2 GLU A 114 5.229 10.835 6.652 1.00 2.70 O ATOM 0 H GLU A 114 8.437 8.719 5.890 1.00 0.57 H new ATOM 0 HA GLU A 114 7.762 6.629 7.639 1.00 0.60 H new ATOM 0 HB2 GLU A 114 6.022 8.255 5.745 1.00 0.73 H new ATOM 0 HB3 GLU A 114 5.440 7.319 7.107 1.00 0.73 H new ATOM 0 HG2 GLU A 114 6.644 8.752 8.673 1.00 1.18 H new ATOM 0 HG3 GLU A 114 7.398 9.625 7.354 1.00 1.18 H new ATOM 1496 N ALA A 115 7.162 6.047 4.446 1.00 0.55 N ATOM 1497 CA ALA A 115 6.890 4.991 3.479 1.00 0.58 C ATOM 1498 C ALA A 115 7.933 3.884 3.584 1.00 0.51 C ATOM 1499 O ALA A 115 7.596 2.702 3.655 1.00 0.51 O ATOM 1500 CB ALA A 115 6.856 5.561 2.068 1.00 0.70 C ATOM 0 H ALA A 115 7.310 6.968 4.033 1.00 0.55 H new ATOM 0 HA ALA A 115 5.913 4.562 3.703 1.00 0.58 H new ATOM 0 HB1 ALA A 115 6.652 4.760 1.357 1.00 0.70 H new ATOM 0 HB2 ALA A 115 6.073 6.316 1.999 1.00 0.70 H new ATOM 0 HB3 ALA A 115 7.819 6.016 1.836 1.00 0.70 H new ATOM 1506 N LYS A 116 9.198 4.288 3.620 1.00 0.51 N ATOM 1507 CA LYS A 116 10.310 3.354 3.760 1.00 0.51 C ATOM 1508 C LYS A 116 10.185 2.568 5.059 1.00 0.44 C ATOM 1509 O LYS A 116 10.357 1.349 5.082 1.00 0.49 O ATOM 1510 CB LYS A 116 11.635 4.120 3.740 1.00 0.64 C ATOM 1511 CG LYS A 116 11.888 4.866 2.439 1.00 1.38 C ATOM 1512 CD LYS A 116 13.053 5.845 2.545 1.00 1.43 C ATOM 1513 CE LYS A 116 14.385 5.150 2.798 1.00 1.80 C ATOM 1514 NZ LYS A 116 14.619 4.866 4.242 1.00 2.33 N ATOM 0 H LYS A 116 9.481 5.266 3.553 1.00 0.51 H new ATOM 0 HA LYS A 116 10.286 2.653 2.926 1.00 0.51 H new ATOM 0 HB2 LYS A 116 11.646 4.832 4.565 1.00 0.64 H new ATOM 0 HB3 LYS A 116 12.452 3.420 3.912 1.00 0.64 H new ATOM 0 HG2 LYS A 116 12.092 4.147 1.645 1.00 1.38 H new ATOM 0 HG3 LYS A 116 10.987 5.408 2.153 1.00 1.38 H new ATOM 0 HD2 LYS A 116 13.120 6.425 1.624 1.00 1.43 H new ATOM 0 HD3 LYS A 116 12.857 6.550 3.353 1.00 1.43 H new ATOM 0 HE2 LYS A 116 14.415 4.215 2.238 1.00 1.80 H new ATOM 0 HE3 LYS A 116 15.194 5.774 2.419 1.00 1.80 H new ATOM 0 HZ1 LYS A 116 15.576 5.176 4.506 1.00 2.33 H new ATOM 0 HZ2 LYS A 116 13.918 5.379 4.815 1.00 2.33 H new ATOM 0 HZ3 LYS A 116 14.526 3.845 4.414 1.00 2.33 H new ATOM 1528 N ARG A 117 9.866 3.280 6.131 1.00 0.42 N ATOM 1529 CA ARG A 117 9.713 2.681 7.448 1.00 0.44 C ATOM 1530 C ARG A 117 8.590 1.648 7.454 1.00 0.43 C ATOM 1531 O ARG A 117 8.774 0.517 7.910 1.00 0.50 O ATOM 1532 CB ARG A 117 9.421 3.773 8.484 1.00 0.57 C ATOM 1533 CG ARG A 117 9.261 3.258 9.905 1.00 0.90 C ATOM 1534 CD ARG A 117 10.552 2.651 10.425 1.00 1.39 C ATOM 1535 NE ARG A 117 11.649 3.621 10.438 1.00 1.99 N ATOM 1536 CZ ARG A 117 12.920 3.310 10.692 1.00 2.83 C ATOM 1537 NH1 ARG A 117 13.258 2.067 11.006 1.00 3.30 N ATOM 1538 NH2 ARG A 117 13.853 4.249 10.641 1.00 3.61 N ATOM 0 H ARG A 117 9.706 4.287 6.112 1.00 0.42 H new ATOM 0 HA ARG A 117 10.644 2.175 7.704 1.00 0.44 H new ATOM 0 HB2 ARG A 117 10.230 4.503 8.463 1.00 0.57 H new ATOM 0 HB3 ARG A 117 8.510 4.298 8.195 1.00 0.57 H new ATOM 0 HG2 ARG A 117 8.953 4.076 10.557 1.00 0.90 H new ATOM 0 HG3 ARG A 117 8.468 2.511 9.935 1.00 0.90 H new ATOM 0 HD2 ARG A 117 10.393 2.270 11.434 1.00 1.39 H new ATOM 0 HD3 ARG A 117 10.828 1.800 9.803 1.00 1.39 H new ATOM 0 HE ARG A 117 11.426 4.597 10.240 1.00 1.99 H new ATOM 0 HH11 ARG A 117 12.543 1.341 11.055 1.00 3.30 H new ATOM 0 HH12 ARG A 117 14.233 1.837 11.199 1.00 3.30 H new ATOM 0 HH21 ARG A 117 13.598 5.209 10.408 1.00 3.61 H new ATOM 0 HH22 ARG A 117 14.826 4.012 10.835 1.00 3.61 H new ATOM 1552 N TRP A 118 7.432 2.042 6.936 1.00 0.43 N ATOM 1553 CA TRP A 118 6.264 1.175 6.935 1.00 0.51 C ATOM 1554 C TRP A 118 6.480 -0.057 6.065 1.00 0.51 C ATOM 1555 O TRP A 118 6.101 -1.164 6.448 1.00 0.60 O ATOM 1556 CB TRP A 118 5.018 1.929 6.463 1.00 0.59 C ATOM 1557 CG TRP A 118 4.529 2.971 7.427 1.00 0.89 C ATOM 1558 CD1 TRP A 118 4.184 4.257 7.130 1.00 0.98 C ATOM 1559 CD2 TRP A 118 4.325 2.817 8.840 1.00 1.69 C ATOM 1560 NE1 TRP A 118 3.773 4.910 8.263 1.00 1.51 N ATOM 1561 CE2 TRP A 118 3.851 4.051 9.326 1.00 2.00 C ATOM 1562 CE3 TRP A 118 4.491 1.760 9.743 1.00 2.34 C ATOM 1563 CZ2 TRP A 118 3.544 4.254 10.668 1.00 2.83 C ATOM 1564 CZ3 TRP A 118 4.187 1.965 11.073 1.00 3.18 C ATOM 1565 CH2 TRP A 118 3.717 3.203 11.525 1.00 3.39 C ATOM 0 H TRP A 118 7.279 2.957 6.512 1.00 0.43 H new ATOM 0 HA TRP A 118 6.111 0.847 7.963 1.00 0.51 H new ATOM 0 HB2 TRP A 118 5.236 2.407 5.508 1.00 0.59 H new ATOM 0 HB3 TRP A 118 4.218 1.211 6.285 1.00 0.59 H new ATOM 0 HD1 TRP A 118 4.228 4.697 6.145 1.00 0.98 H new ATOM 0 HE1 TRP A 118 3.460 5.880 8.307 1.00 1.51 H new ATOM 0 HE3 TRP A 118 4.851 0.800 9.404 1.00 2.34 H new ATOM 0 HZ2 TRP A 118 3.182 5.209 11.020 1.00 2.83 H new ATOM 0 HZ3 TRP A 118 4.314 1.156 11.777 1.00 3.18 H new ATOM 0 HH2 TRP A 118 3.486 3.331 12.572 1.00 3.39 H new ATOM 1576 N ILE A 119 7.083 0.133 4.899 1.00 0.48 N ATOM 1577 CA ILE A 119 7.337 -0.978 3.992 1.00 0.54 C ATOM 1578 C ILE A 119 8.336 -1.955 4.597 1.00 0.53 C ATOM 1579 O ILE A 119 8.146 -3.169 4.530 1.00 0.58 O ATOM 1580 CB ILE A 119 7.844 -0.489 2.617 1.00 0.60 C ATOM 1581 CG1 ILE A 119 6.728 0.259 1.885 1.00 0.67 C ATOM 1582 CG2 ILE A 119 8.344 -1.658 1.777 1.00 0.69 C ATOM 1583 CD1 ILE A 119 7.122 0.748 0.509 1.00 0.81 C ATOM 0 H ILE A 119 7.404 1.040 4.560 1.00 0.48 H new ATOM 0 HA ILE A 119 6.387 -1.491 3.840 1.00 0.54 H new ATOM 0 HB ILE A 119 8.680 0.192 2.777 1.00 0.60 H new ATOM 0 HG12 ILE A 119 5.863 -0.398 1.793 1.00 0.67 H new ATOM 0 HG13 ILE A 119 6.418 1.112 2.489 1.00 0.67 H new ATOM 0 HG21 ILE A 119 8.696 -1.289 0.813 1.00 0.69 H new ATOM 0 HG22 ILE A 119 9.163 -2.155 2.296 1.00 0.69 H new ATOM 0 HG23 ILE A 119 7.531 -2.367 1.619 1.00 0.69 H new ATOM 0 HD11 ILE A 119 6.280 1.268 0.053 1.00 0.81 H new ATOM 0 HD12 ILE A 119 7.967 1.431 0.594 1.00 0.81 H new ATOM 0 HD13 ILE A 119 7.403 -0.102 -0.113 1.00 0.81 H new ATOM 1595 N LYS A 120 9.386 -1.426 5.212 1.00 0.52 N ATOM 1596 CA LYS A 120 10.408 -2.270 5.811 1.00 0.57 C ATOM 1597 C LYS A 120 9.843 -3.002 7.026 1.00 0.56 C ATOM 1598 O LYS A 120 10.268 -4.110 7.347 1.00 0.61 O ATOM 1599 CB LYS A 120 11.632 -1.441 6.199 1.00 0.66 C ATOM 1600 CG LYS A 120 12.933 -2.221 6.113 1.00 1.08 C ATOM 1601 CD LYS A 120 14.135 -1.347 6.423 1.00 1.68 C ATOM 1602 CE LYS A 120 15.430 -2.025 6.021 1.00 2.25 C ATOM 1603 NZ LYS A 120 15.551 -2.147 4.543 1.00 2.76 N ATOM 0 H LYS A 120 9.551 -0.424 5.308 1.00 0.52 H new ATOM 0 HA LYS A 120 10.721 -3.011 5.076 1.00 0.57 H new ATOM 0 HB2 LYS A 120 11.694 -0.569 5.547 1.00 0.66 H new ATOM 0 HB3 LYS A 120 11.504 -1.070 7.216 1.00 0.66 H new ATOM 0 HG2 LYS A 120 12.902 -3.058 6.811 1.00 1.08 H new ATOM 0 HG3 LYS A 120 13.038 -2.643 5.114 1.00 1.08 H new ATOM 0 HD2 LYS A 120 14.041 -0.397 5.897 1.00 1.68 H new ATOM 0 HD3 LYS A 120 14.157 -1.120 7.489 1.00 1.68 H new ATOM 0 HE2 LYS A 120 16.275 -1.456 6.410 1.00 2.25 H new ATOM 0 HE3 LYS A 120 15.478 -3.016 6.473 1.00 2.25 H new ATOM 0 HZ1 LYS A 120 16.546 -2.307 4.288 1.00 2.76 H new ATOM 0 HZ2 LYS A 120 14.976 -2.948 4.213 1.00 2.76 H new ATOM 0 HZ3 LYS A 120 15.215 -1.271 4.094 1.00 2.76 H new ATOM 1617 N GLU A 121 8.871 -2.376 7.683 1.00 0.56 N ATOM 1618 CA GLU A 121 8.152 -2.999 8.791 1.00 0.63 C ATOM 1619 C GLU A 121 7.310 -4.155 8.257 1.00 0.67 C ATOM 1620 O GLU A 121 7.277 -5.244 8.832 1.00 0.79 O ATOM 1621 CB GLU A 121 7.267 -1.944 9.480 1.00 0.71 C ATOM 1622 CG GLU A 121 6.571 -2.406 10.758 1.00 1.18 C ATOM 1623 CD GLU A 121 5.382 -3.314 10.507 1.00 1.87 C ATOM 1624 OE1 GLU A 121 4.632 -3.070 9.538 1.00 2.50 O ATOM 1625 OE2 GLU A 121 5.185 -4.271 11.285 1.00 2.57 O ATOM 0 H GLU A 121 8.561 -1.429 7.465 1.00 0.56 H new ATOM 0 HA GLU A 121 8.856 -3.392 9.525 1.00 0.63 H new ATOM 0 HB2 GLU A 121 7.883 -1.076 9.715 1.00 0.71 H new ATOM 0 HB3 GLU A 121 6.507 -1.613 8.772 1.00 0.71 H new ATOM 0 HG2 GLU A 121 7.292 -2.930 11.385 1.00 1.18 H new ATOM 0 HG3 GLU A 121 6.238 -1.532 11.317 1.00 1.18 H new ATOM 1632 N PHE A 122 6.654 -3.899 7.135 1.00 0.65 N ATOM 1633 CA PHE A 122 5.816 -4.888 6.467 1.00 0.76 C ATOM 1634 C PHE A 122 6.668 -6.043 5.946 1.00 0.78 C ATOM 1635 O PHE A 122 6.187 -7.162 5.760 1.00 0.89 O ATOM 1636 CB PHE A 122 5.068 -4.203 5.321 1.00 0.86 C ATOM 1637 CG PHE A 122 4.079 -5.075 4.608 1.00 1.36 C ATOM 1638 CD1 PHE A 122 4.349 -5.551 3.336 1.00 2.24 C ATOM 1639 CD2 PHE A 122 2.874 -5.404 5.204 1.00 1.98 C ATOM 1640 CE1 PHE A 122 3.435 -6.341 2.672 1.00 2.95 C ATOM 1641 CE2 PHE A 122 1.957 -6.196 4.546 1.00 2.74 C ATOM 1642 CZ PHE A 122 2.238 -6.664 3.278 1.00 3.02 C ATOM 0 H PHE A 122 6.687 -2.997 6.659 1.00 0.65 H new ATOM 0 HA PHE A 122 5.096 -5.301 7.174 1.00 0.76 H new ATOM 0 HB2 PHE A 122 4.545 -3.332 5.716 1.00 0.86 H new ATOM 0 HB3 PHE A 122 5.796 -3.837 4.598 1.00 0.86 H new ATOM 0 HD1 PHE A 122 5.285 -5.301 2.859 1.00 2.24 H new ATOM 0 HD2 PHE A 122 2.650 -5.037 6.195 1.00 1.98 H new ATOM 0 HE1 PHE A 122 3.655 -6.706 1.680 1.00 2.95 H new ATOM 0 HE2 PHE A 122 1.021 -6.450 5.021 1.00 2.74 H new ATOM 0 HZ PHE A 122 1.521 -7.283 2.760 1.00 3.02 H new ATOM 1652 N SER A 123 7.946 -5.759 5.737 1.00 0.72 N ATOM 1653 CA SER A 123 8.894 -6.752 5.262 1.00 0.79 C ATOM 1654 C SER A 123 9.310 -7.697 6.391 1.00 0.81 C ATOM 1655 O SER A 123 9.994 -8.695 6.157 1.00 1.02 O ATOM 1656 CB SER A 123 10.126 -6.055 4.690 1.00 0.82 C ATOM 1657 OG SER A 123 9.770 -5.149 3.660 1.00 1.40 O ATOM 0 H SER A 123 8.352 -4.836 5.892 1.00 0.72 H new ATOM 0 HA SER A 123 8.412 -7.342 4.482 1.00 0.79 H new ATOM 0 HB2 SER A 123 10.646 -5.520 5.485 1.00 0.82 H new ATOM 0 HB3 SER A 123 10.820 -6.799 4.299 1.00 0.82 H new ATOM 0 HG SER A 123 9.318 -4.372 4.050 1.00 1.40 H new ATOM 1663 N GLU A 124 8.900 -7.381 7.610 1.00 0.80 N ATOM 1664 CA GLU A 124 9.258 -8.191 8.761 1.00 1.00 C ATOM 1665 C GLU A 124 8.045 -8.944 9.289 1.00 1.48 C ATOM 1666 O GLU A 124 6.988 -8.355 9.522 1.00 2.09 O ATOM 1667 CB GLU A 124 9.863 -7.315 9.857 1.00 1.88 C ATOM 1668 CG GLU A 124 11.114 -6.578 9.412 1.00 2.61 C ATOM 1669 CD GLU A 124 11.757 -5.788 10.528 1.00 3.54 C ATOM 1670 OE1 GLU A 124 11.535 -4.562 10.604 1.00 4.12 O ATOM 1671 OE2 GLU A 124 12.496 -6.392 11.334 1.00 4.14 O ATOM 0 H GLU A 124 8.320 -6.570 7.826 1.00 0.80 H new ATOM 0 HA GLU A 124 10.003 -8.923 8.449 1.00 1.00 H new ATOM 0 HB2 GLU A 124 9.119 -6.589 10.185 1.00 1.88 H new ATOM 0 HB3 GLU A 124 10.103 -7.937 10.719 1.00 1.88 H new ATOM 0 HG2 GLU A 124 11.834 -7.297 9.021 1.00 2.61 H new ATOM 0 HG3 GLU A 124 10.861 -5.903 8.594 1.00 2.61 H new ATOM 1678 N GLU A 125 8.203 -10.248 9.470 1.00 2.33 N ATOM 1679 CA GLU A 125 7.124 -11.095 9.958 1.00 3.47 C ATOM 1680 C GLU A 125 7.094 -11.083 11.483 1.00 4.34 C ATOM 1681 O GLU A 125 6.226 -10.391 12.061 1.00 4.92 O ATOM 1682 CB GLU A 125 7.304 -12.528 9.442 1.00 4.25 C ATOM 1683 CG GLU A 125 6.187 -13.481 9.847 1.00 4.82 C ATOM 1684 CD GLU A 125 4.865 -13.162 9.179 1.00 5.68 C ATOM 1685 OE1 GLU A 125 4.550 -13.786 8.146 1.00 6.29 O ATOM 1686 OE2 GLU A 125 4.124 -12.294 9.686 1.00 6.07 O ATOM 1687 OXT GLU A 125 7.956 -11.742 12.101 1.00 4.84 O ATOM 0 H GLU A 125 9.074 -10.745 9.285 1.00 2.33 H new ATOM 0 HA GLU A 125 6.176 -10.705 9.587 1.00 3.47 H new ATOM 0 HB2 GLU A 125 7.371 -12.505 8.354 1.00 4.25 H new ATOM 0 HB3 GLU A 125 8.252 -12.919 9.811 1.00 4.25 H new ATOM 0 HG2 GLU A 125 6.478 -14.501 9.595 1.00 4.82 H new ATOM 0 HG3 GLU A 125 6.059 -13.444 10.929 1.00 4.82 H new TER 1694 GLU A 125