USER MOD reduce.3.24.130724 H: found=0, std=0, add=501, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 504 hydrogens (1 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 NoAdj : A 97 ASNHD21 : A 97 ASN OD1 : A 992 CACA :(metal ligand) USER MOD NoAdj : A 97 ASNHD22 : A 97 ASN OD1 : A 992 CACA :(metal ligand) USER MOD Set 1.1: A 144 MET CE :methyl 142:sc= -4.42! (180deg=-5.99!) USER MOD Set 1.2: A 145 MET CE :methyl -147:sc= -7.93! (180deg=-6.34!) USER MOD Single : A 94 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0164) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= -0.109 USER MOD Single : A 107 HIS :FLIP no HE2:sc=-0.00584 F(o=-1,f=-0.0058) USER MOD Single : A 109 MET CE :methyl 164:sc= -0.369 (180deg=-0.433) USER MOD Single : A 110 THR OG1 : rot 60:sc= 1.21 USER MOD Single : A 111 ASN :FLIP amide:sc= -1.24 F(o=-2.1,f=-1.2) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 THR OG1 : rot 180:sc= 0 USER MOD Single : A 124 MET CE :methyl 132:sc= -1.78 (180deg=-2.85) USER MOD Single : A 135 GLN : amide:sc= -0.56 X(o=-0.56,f=-0.067) USER MOD Single : A 137 ASN : amide:sc= -2.49 K(o=-2.5,f=-10!) USER MOD Single : A 138 TYR OH : rot 180:sc= 0 USER MOD Single : A 143 GLN : amide:sc= -0.0274 K(o=-0.027,f=-0.98) USER MOD Single : A 146 THR OG1 : rot 87:sc= 0.209 USER MOD Single : A 148 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 82 12.242 18.605 -1.994 1.00 0.23 N ATOM 2 CA GLU A 82 11.166 19.007 -1.074 1.00 0.25 C ATOM 3 C GLU A 82 11.793 19.646 0.125 1.00 0.20 C ATOM 4 O GLU A 82 13.011 19.563 0.246 1.00 0.19 O ATOM 5 CB GLU A 82 10.398 17.786 -0.626 1.00 0.48 C ATOM 6 CG GLU A 82 9.901 17.034 -1.849 1.00 1.68 C ATOM 7 CD GLU A 82 9.080 15.868 -1.394 1.00 1.54 C ATOM 8 OE1 GLU A 82 7.997 16.098 -0.874 1.00 1.97 O ATOM 9 OE2 GLU A 82 9.532 14.743 -1.577 1.00 1.71 O ATOM 0 HA GLU A 82 10.488 19.699 -1.574 1.00 0.25 H new ATOM 0 HB2 GLU A 82 11.036 17.141 -0.022 1.00 0.48 H new ATOM 0 HB3 GLU A 82 9.557 18.080 0.002 1.00 0.48 H new ATOM 0 HG2 GLU A 82 9.305 17.692 -2.481 1.00 1.68 H new ATOM 0 HG3 GLU A 82 10.743 16.692 -2.450 1.00 1.68 H new ATOM 18 N GLU A 83 10.966 20.258 0.973 1.00 0.19 N ATOM 19 CA GLU A 83 11.520 20.791 2.212 1.00 0.16 C ATOM 20 C GLU A 83 12.074 19.728 3.155 1.00 0.11 C ATOM 21 O GLU A 83 13.105 19.893 3.776 1.00 0.11 O ATOM 22 CB GLU A 83 10.485 21.695 2.870 1.00 0.22 C ATOM 23 CG GLU A 83 9.311 20.932 3.475 1.00 0.78 C ATOM 24 CD GLU A 83 8.241 21.924 3.824 1.00 0.97 C ATOM 25 OE1 GLU A 83 8.436 22.714 4.739 1.00 2.22 O ATOM 26 OE2 GLU A 83 7.223 21.923 3.146 1.00 0.99 O ATOM 0 H GLU A 83 9.964 20.392 0.836 1.00 0.19 H new ATOM 0 HA GLU A 83 12.399 21.384 1.959 1.00 0.16 H new ATOM 0 HB2 GLU A 83 10.969 22.281 3.651 1.00 0.22 H new ATOM 0 HB3 GLU A 83 10.107 22.401 2.130 1.00 0.22 H new ATOM 0 HG2 GLU A 83 8.931 20.195 2.768 1.00 0.78 H new ATOM 0 HG3 GLU A 83 9.629 20.386 4.364 1.00 0.78 H new ATOM 33 N GLU A 84 11.429 18.564 3.124 1.00 0.09 N ATOM 34 CA GLU A 84 11.873 17.506 4.033 1.00 0.07 C ATOM 35 C GLU A 84 13.359 17.220 3.898 1.00 0.08 C ATOM 36 O GLU A 84 14.205 17.380 4.761 1.00 0.13 O ATOM 37 CB GLU A 84 11.026 16.277 3.722 1.00 0.08 C ATOM 38 CG GLU A 84 9.553 16.501 4.064 1.00 0.30 C ATOM 39 CD GLU A 84 9.373 16.273 5.544 1.00 1.19 C ATOM 40 OE1 GLU A 84 9.780 17.120 6.332 1.00 1.64 O ATOM 41 OE2 GLU A 84 8.845 15.230 5.903 1.00 2.28 O ATOM 0 H GLU A 84 10.642 18.334 2.518 1.00 0.09 H new ATOM 0 HA GLU A 84 11.738 17.814 5.070 1.00 0.07 H new ATOM 0 HB2 GLU A 84 11.120 16.029 2.665 1.00 0.08 H new ATOM 0 HB3 GLU A 84 11.404 15.423 4.285 1.00 0.08 H new ATOM 0 HG2 GLU A 84 9.250 17.513 3.796 1.00 0.30 H new ATOM 0 HG3 GLU A 84 8.922 15.818 3.495 1.00 0.30 H new ATOM 48 N ILE A 85 13.678 16.892 2.639 1.00 0.09 N ATOM 49 CA ILE A 85 15.102 16.665 2.393 1.00 0.14 C ATOM 50 C ILE A 85 15.951 17.938 2.402 1.00 0.08 C ATOM 51 O ILE A 85 16.960 18.050 3.073 1.00 0.09 O ATOM 52 CB ILE A 85 15.267 15.801 1.131 1.00 0.20 C ATOM 53 CG1 ILE A 85 14.713 16.475 -0.133 1.00 0.27 C ATOM 54 CG2 ILE A 85 14.554 14.469 1.390 1.00 0.21 C ATOM 55 CD1 ILE A 85 14.772 15.613 -1.393 1.00 0.30 C ATOM 0 H ILE A 85 13.042 16.786 1.849 1.00 0.09 H new ATOM 0 HA ILE A 85 15.509 16.109 3.238 1.00 0.14 H new ATOM 0 HB ILE A 85 16.330 15.651 0.941 1.00 0.20 H new ATOM 0 HG12 ILE A 85 13.677 16.760 0.048 1.00 0.27 H new ATOM 0 HG13 ILE A 85 15.270 17.395 -0.312 1.00 0.27 H new ATOM 0 HG21 ILE A 85 14.650 13.828 0.513 1.00 0.21 H new ATOM 0 HG22 ILE A 85 15.005 13.976 2.251 1.00 0.21 H new ATOM 0 HG23 ILE A 85 13.499 14.654 1.590 1.00 0.21 H new ATOM 0 HD11 ILE A 85 14.360 16.170 -2.235 1.00 0.30 H new ATOM 0 HD12 ILE A 85 15.808 15.349 -1.605 1.00 0.30 H new ATOM 0 HD13 ILE A 85 14.190 14.704 -1.240 1.00 0.30 H new ATOM 67 N ARG A 86 15.471 18.921 1.625 1.00 0.06 N ATOM 68 CA ARG A 86 16.253 20.139 1.449 1.00 0.09 C ATOM 69 C ARG A 86 16.259 21.049 2.668 1.00 0.11 C ATOM 70 O ARG A 86 17.295 21.499 3.122 1.00 0.17 O ATOM 71 CB ARG A 86 15.735 20.847 0.182 1.00 0.14 C ATOM 72 CG ARG A 86 16.490 22.043 -0.405 1.00 0.60 C ATOM 73 CD ARG A 86 16.688 23.175 0.607 1.00 0.60 C ATOM 74 NE ARG A 86 17.209 24.409 0.060 1.00 0.90 N ATOM 75 CZ ARG A 86 18.455 24.509 -0.426 1.00 1.64 C ATOM 76 NH1 ARG A 86 19.304 23.474 -0.432 1.00 1.61 N ATOM 77 NH2 ARG A 86 18.811 25.693 -0.919 1.00 2.72 N ATOM 0 H ARG A 86 14.580 18.895 1.129 1.00 0.06 H new ATOM 0 HA ARG A 86 17.302 19.870 1.328 1.00 0.09 H new ATOM 0 HB2 ARG A 86 15.667 20.093 -0.602 1.00 0.14 H new ATOM 0 HB3 ARG A 86 14.719 21.180 0.393 1.00 0.14 H new ATOM 0 HG2 ARG A 86 17.463 21.711 -0.766 1.00 0.60 H new ATOM 0 HG3 ARG A 86 15.943 22.424 -1.267 1.00 0.60 H new ATOM 0 HD2 ARG A 86 15.731 23.384 1.085 1.00 0.60 H new ATOM 0 HD3 ARG A 86 17.365 22.828 1.387 1.00 0.60 H new ATOM 0 HE ARG A 86 16.607 25.232 0.043 1.00 0.90 H new ATOM 0 HH11 ARG A 86 19.010 22.571 -0.058 1.00 1.61 H new ATOM 0 HH12 ARG A 86 20.244 23.588 -0.810 1.00 1.61 H new ATOM 0 HH21 ARG A 86 18.148 26.468 -0.914 1.00 2.72 H new ATOM 0 HH22 ARG A 86 19.747 25.825 -1.302 1.00 2.72 H new ATOM 91 N GLU A 87 15.044 21.416 3.072 1.00 0.09 N ATOM 92 CA GLU A 87 14.927 22.329 4.205 1.00 0.12 C ATOM 93 C GLU A 87 15.360 21.724 5.528 1.00 0.10 C ATOM 94 O GLU A 87 16.019 22.380 6.332 1.00 0.10 O ATOM 95 CB GLU A 87 13.519 22.899 4.323 1.00 0.14 C ATOM 96 CG GLU A 87 13.425 23.990 5.380 1.00 0.39 C ATOM 97 CD GLU A 87 12.060 23.989 6.003 1.00 1.85 C ATOM 98 OE1 GLU A 87 11.750 23.026 6.691 1.00 2.39 O ATOM 99 OE2 GLU A 87 11.355 24.981 5.831 1.00 3.05 O ATOM 0 H GLU A 87 14.165 21.112 2.654 1.00 0.09 H new ATOM 0 HA GLU A 87 15.624 23.139 3.989 1.00 0.12 H new ATOM 0 HB2 GLU A 87 13.211 23.303 3.359 1.00 0.14 H new ATOM 0 HB3 GLU A 87 12.824 22.096 4.569 1.00 0.14 H new ATOM 0 HG2 GLU A 87 14.183 23.830 6.147 1.00 0.39 H new ATOM 0 HG3 GLU A 87 13.627 24.962 4.930 1.00 0.39 H new ATOM 106 N ALA A 88 15.052 20.424 5.722 1.00 0.07 N ATOM 107 CA ALA A 88 15.699 19.847 6.896 1.00 0.06 C ATOM 108 C ALA A 88 17.193 19.879 6.719 1.00 0.04 C ATOM 109 O ALA A 88 17.908 20.283 7.612 1.00 0.06 O ATOM 110 CB ALA A 88 15.238 18.437 7.246 1.00 0.05 C ATOM 0 H ALA A 88 14.443 19.828 5.161 1.00 0.07 H new ATOM 0 HA ALA A 88 15.398 20.467 7.740 1.00 0.06 H new ATOM 0 HB1 ALA A 88 15.771 18.089 8.131 1.00 0.05 H new ATOM 0 HB2 ALA A 88 14.167 18.444 7.447 1.00 0.05 H new ATOM 0 HB3 ALA A 88 15.446 17.768 6.411 1.00 0.05 H new ATOM 116 N PHE A 89 17.642 19.619 5.477 1.00 0.05 N ATOM 117 CA PHE A 89 19.052 19.886 5.174 1.00 0.06 C ATOM 118 C PHE A 89 19.519 21.313 5.418 1.00 0.07 C ATOM 119 O PHE A 89 20.668 21.570 5.746 1.00 0.08 O ATOM 120 CB PHE A 89 19.430 19.435 3.760 1.00 0.07 C ATOM 121 CG PHE A 89 20.897 19.633 3.526 1.00 0.07 C ATOM 122 CD1 PHE A 89 21.797 18.734 4.126 1.00 0.06 C ATOM 123 CD2 PHE A 89 21.338 20.727 2.750 1.00 0.09 C ATOM 124 CE1 PHE A 89 23.170 18.942 3.954 1.00 0.09 C ATOM 125 CE2 PHE A 89 22.718 20.938 2.589 1.00 0.11 C ATOM 126 CZ PHE A 89 23.619 20.039 3.191 1.00 0.11 C ATOM 0 H PHE A 89 17.083 19.246 4.709 1.00 0.05 H new ATOM 0 HA PHE A 89 19.587 19.280 5.905 1.00 0.06 H new ATOM 0 HB2 PHE A 89 19.172 18.385 3.625 1.00 0.07 H new ATOM 0 HB3 PHE A 89 18.858 20.001 3.025 1.00 0.07 H new ATOM 0 HD1 PHE A 89 21.435 17.899 4.708 1.00 0.06 H new ATOM 0 HD2 PHE A 89 20.625 21.392 2.287 1.00 0.09 H new ATOM 0 HE1 PHE A 89 23.882 18.266 4.403 1.00 0.09 H new ATOM 0 HE2 PHE A 89 23.082 21.776 2.013 1.00 0.11 H new ATOM 0 HZ PHE A 89 24.680 20.194 3.065 1.00 0.11 H new ATOM 136 N ARG A 90 18.586 22.244 5.268 1.00 0.07 N ATOM 137 CA ARG A 90 18.959 23.616 5.564 1.00 0.07 C ATOM 138 C ARG A 90 19.230 23.826 7.042 1.00 0.06 C ATOM 139 O ARG A 90 20.141 24.533 7.432 1.00 0.07 O ATOM 140 CB ARG A 90 17.859 24.537 5.060 1.00 0.06 C ATOM 141 CG ARG A 90 18.229 26.008 5.079 1.00 0.35 C ATOM 142 CD ARG A 90 16.985 26.846 4.842 1.00 0.34 C ATOM 143 NE ARG A 90 17.351 28.254 4.793 1.00 1.93 N ATOM 144 CZ ARG A 90 16.404 29.199 4.659 1.00 3.33 C ATOM 145 NH1 ARG A 90 15.107 28.875 4.627 1.00 3.73 N ATOM 146 NH2 ARG A 90 16.791 30.463 4.540 1.00 4.69 N ATOM 0 H ARG A 90 17.625 22.090 4.963 1.00 0.07 H new ATOM 0 HA ARG A 90 19.893 23.850 5.053 1.00 0.07 H new ATOM 0 HB2 ARG A 90 17.599 24.251 4.041 1.00 0.06 H new ATOM 0 HB3 ARG A 90 16.968 24.389 5.670 1.00 0.06 H new ATOM 0 HG2 ARG A 90 18.679 26.268 6.037 1.00 0.35 H new ATOM 0 HG3 ARG A 90 18.973 26.217 4.310 1.00 0.35 H new ATOM 0 HD2 ARG A 90 16.507 26.551 3.908 1.00 0.34 H new ATOM 0 HD3 ARG A 90 16.261 26.675 5.639 1.00 0.34 H new ATOM 0 HE ARG A 90 18.332 28.525 4.861 1.00 1.93 H new ATOM 0 HH11 ARG A 90 14.823 27.898 4.705 1.00 3.73 H new ATOM 0 HH12 ARG A 90 14.401 29.605 4.525 1.00 3.73 H new ATOM 0 HH21 ARG A 90 17.784 30.696 4.552 1.00 4.69 H new ATOM 0 HH22 ARG A 90 16.095 31.202 4.437 1.00 4.69 H new ATOM 160 N VAL A 91 18.386 23.172 7.850 1.00 0.06 N ATOM 161 CA VAL A 91 18.670 23.166 9.286 1.00 0.06 C ATOM 162 C VAL A 91 19.918 22.373 9.614 1.00 0.09 C ATOM 163 O VAL A 91 20.639 22.693 10.549 1.00 0.11 O ATOM 164 CB VAL A 91 17.444 22.640 10.053 1.00 0.04 C ATOM 165 CG1 VAL A 91 17.717 22.210 11.503 1.00 0.06 C ATOM 166 CG2 VAL A 91 16.343 23.697 9.989 1.00 0.02 C ATOM 0 H VAL A 91 17.549 22.668 7.556 1.00 0.06 H new ATOM 0 HA VAL A 91 18.868 24.190 9.602 1.00 0.06 H new ATOM 0 HB VAL A 91 17.134 21.718 9.560 1.00 0.04 H new ATOM 0 HG11 VAL A 91 16.792 21.855 11.958 1.00 0.06 H new ATOM 0 HG12 VAL A 91 18.456 21.409 11.512 1.00 0.06 H new ATOM 0 HG13 VAL A 91 18.097 23.060 12.069 1.00 0.06 H new ATOM 0 HG21 VAL A 91 15.465 23.341 10.528 1.00 0.02 H new ATOM 0 HG22 VAL A 91 16.699 24.621 10.445 1.00 0.02 H new ATOM 0 HG23 VAL A 91 16.078 23.884 8.948 1.00 0.02 H new ATOM 176 N PHE A 92 20.114 21.329 8.795 1.00 0.10 N ATOM 177 CA PHE A 92 21.233 20.416 8.977 1.00 0.13 C ATOM 178 C PHE A 92 22.547 21.125 8.869 1.00 0.17 C ATOM 179 O PHE A 92 23.391 21.001 9.736 1.00 0.19 O ATOM 180 CB PHE A 92 21.189 19.259 7.974 1.00 0.12 C ATOM 181 CG PHE A 92 20.013 18.322 8.180 1.00 0.11 C ATOM 182 CD1 PHE A 92 19.203 18.406 9.336 1.00 0.07 C ATOM 183 CD2 PHE A 92 19.744 17.354 7.184 1.00 0.17 C ATOM 184 CE1 PHE A 92 18.116 17.532 9.482 1.00 0.13 C ATOM 185 CE2 PHE A 92 18.664 16.466 7.339 1.00 0.21 C ATOM 186 CZ PHE A 92 17.861 16.563 8.493 1.00 0.19 C ATOM 0 H PHE A 92 19.510 21.103 8.005 1.00 0.10 H new ATOM 0 HA PHE A 92 21.138 20.008 9.983 1.00 0.13 H new ATOM 0 HB2 PHE A 92 21.146 19.666 6.964 1.00 0.12 H new ATOM 0 HB3 PHE A 92 22.115 18.689 8.049 1.00 0.12 H new ATOM 0 HD1 PHE A 92 19.420 19.137 10.100 1.00 0.07 H new ATOM 0 HD2 PHE A 92 20.368 17.297 6.304 1.00 0.17 H new ATOM 0 HE1 PHE A 92 17.477 17.602 10.350 1.00 0.13 H new ATOM 0 HE2 PHE A 92 18.454 15.722 6.585 1.00 0.21 H new ATOM 0 HZ PHE A 92 17.034 15.881 8.621 1.00 0.19 H new ATOM 196 N ASP A 93 22.650 21.903 7.789 1.00 0.20 N ATOM 197 CA ASP A 93 23.784 22.806 7.701 1.00 0.24 C ATOM 198 C ASP A 93 23.531 24.023 8.553 1.00 0.45 C ATOM 199 O ASP A 93 23.070 25.080 8.131 1.00 0.55 O ATOM 200 CB ASP A 93 24.042 23.188 6.256 1.00 0.27 C ATOM 201 CG ASP A 93 25.442 23.782 6.106 1.00 0.32 C ATOM 202 OD1 ASP A 93 26.310 23.444 6.907 1.00 1.46 O ATOM 203 OD2 ASP A 93 25.649 24.568 5.187 1.00 1.03 O ATOM 0 H ASP A 93 21.997 21.925 7.005 1.00 0.20 H new ATOM 0 HA ASP A 93 24.676 22.304 8.075 1.00 0.24 H new ATOM 0 HB2 ASP A 93 23.942 22.310 5.617 1.00 0.27 H new ATOM 0 HB3 ASP A 93 23.296 23.910 5.925 1.00 0.27 H new ATOM 208 N LYS A 94 23.784 23.777 9.843 1.00 0.56 N ATOM 209 CA LYS A 94 23.417 24.777 10.839 1.00 0.76 C ATOM 210 C LYS A 94 24.039 26.133 10.592 1.00 0.71 C ATOM 211 O LYS A 94 23.471 27.175 10.925 1.00 0.85 O ATOM 212 CB LYS A 94 23.763 24.266 12.236 1.00 0.95 C ATOM 213 CG LYS A 94 23.113 25.042 13.385 1.00 1.08 C ATOM 214 CD LYS A 94 21.586 24.986 13.332 1.00 1.67 C ATOM 215 CE LYS A 94 20.937 25.455 14.633 1.00 2.57 C ATOM 216 NZ LYS A 94 21.239 26.870 14.896 1.00 3.98 N ATOM 0 H LYS A 94 24.222 22.931 10.207 1.00 0.56 H new ATOM 0 HA LYS A 94 22.340 24.927 10.756 1.00 0.76 H new ATOM 0 HB2 LYS A 94 23.465 23.220 12.309 1.00 0.95 H new ATOM 0 HB3 LYS A 94 24.845 24.298 12.361 1.00 0.95 H new ATOM 0 HG2 LYS A 94 23.457 24.635 14.336 1.00 1.08 H new ATOM 0 HG3 LYS A 94 23.438 26.082 13.348 1.00 1.08 H new ATOM 0 HD2 LYS A 94 21.231 25.606 12.509 1.00 1.67 H new ATOM 0 HD3 LYS A 94 21.270 23.964 13.120 1.00 1.67 H new ATOM 0 HE2 LYS A 94 19.858 25.315 14.575 1.00 2.57 H new ATOM 0 HE3 LYS A 94 21.294 24.844 15.462 1.00 2.57 H new ATOM 0 HZ1 LYS A 94 20.718 27.185 15.739 1.00 3.98 H new ATOM 0 HZ2 LYS A 94 22.260 26.983 15.058 1.00 3.98 H new ATOM 0 HZ3 LYS A 94 20.953 27.444 14.077 1.00 3.98 H new ATOM 230 N ASP A 95 25.224 26.062 9.991 1.00 0.59 N ATOM 231 CA ASP A 95 25.945 27.276 9.638 1.00 0.54 C ATOM 232 C ASP A 95 25.630 27.796 8.246 1.00 0.19 C ATOM 233 O ASP A 95 25.781 28.973 7.921 1.00 0.21 O ATOM 234 CB ASP A 95 27.440 27.044 9.844 1.00 0.81 C ATOM 235 CG ASP A 95 27.941 25.746 9.210 1.00 1.98 C ATOM 236 OD1 ASP A 95 27.287 25.241 8.302 1.00 3.10 O ATOM 237 OD2 ASP A 95 28.982 25.251 9.639 1.00 2.32 O ATOM 0 H ASP A 95 25.696 25.193 9.743 1.00 0.59 H new ATOM 0 HA ASP A 95 25.604 28.070 10.303 1.00 0.54 H new ATOM 0 HB2 ASP A 95 27.993 27.884 9.423 1.00 0.81 H new ATOM 0 HB3 ASP A 95 27.654 27.025 10.913 1.00 0.81 H new ATOM 242 N GLY A 96 25.066 26.892 7.429 1.00 0.07 N ATOM 243 CA GLY A 96 24.750 27.335 6.077 1.00 0.43 C ATOM 244 C GLY A 96 25.985 27.521 5.205 1.00 0.33 C ATOM 245 O GLY A 96 25.921 28.180 4.171 1.00 0.46 O ATOM 0 H GLY A 96 24.837 25.925 7.661 1.00 0.07 H new ATOM 0 HA2 GLY A 96 24.088 26.607 5.608 1.00 0.43 H new ATOM 0 HA3 GLY A 96 24.203 28.277 6.128 1.00 0.43 H new ATOM 249 N ASN A 97 27.100 26.945 5.681 1.00 0.12 N ATOM 250 CA ASN A 97 28.391 27.061 4.998 1.00 0.10 C ATOM 251 C ASN A 97 28.481 26.404 3.606 1.00 0.15 C ATOM 252 O ASN A 97 29.432 26.650 2.878 1.00 0.38 O ATOM 253 CB ASN A 97 29.542 26.622 5.959 1.00 0.17 C ATOM 254 CG ASN A 97 29.371 25.212 6.548 1.00 0.30 C ATOM 255 OD1 ASN A 97 30.009 24.847 7.524 1.00 1.31 O ATOM 256 ND2 ASN A 97 28.476 24.450 5.898 1.00 0.76 N ATOM 0 H ASN A 97 27.130 26.394 6.539 1.00 0.12 H new ATOM 0 HA ASN A 97 28.507 28.118 4.758 1.00 0.10 H new ATOM 0 HB2 ASN A 97 30.487 26.665 5.418 1.00 0.17 H new ATOM 0 HB3 ASN A 97 29.610 27.339 6.777 1.00 0.17 H new ATOM 0 HD21 ASN A 97 28.292 23.498 6.214 1.00 0.76 H new ATOM 0 HD22 ASN A 97 27.980 24.824 5.089 1.00 0.76 H new ATOM 263 N GLY A 98 27.449 25.611 3.258 1.00 0.08 N ATOM 264 CA GLY A 98 27.488 24.804 2.034 1.00 0.11 C ATOM 265 C GLY A 98 28.052 23.395 2.177 1.00 0.11 C ATOM 266 O GLY A 98 27.698 22.490 1.424 1.00 0.23 O ATOM 0 H GLY A 98 26.591 25.516 3.802 1.00 0.08 H new ATOM 0 HA2 GLY A 98 26.474 24.729 1.640 1.00 0.11 H new ATOM 0 HA3 GLY A 98 28.081 25.337 1.291 1.00 0.11 H new ATOM 270 N TYR A 99 28.959 23.278 3.154 1.00 0.14 N ATOM 271 CA TYR A 99 29.658 22.015 3.349 1.00 0.18 C ATOM 272 C TYR A 99 29.221 21.322 4.633 1.00 0.19 C ATOM 273 O TYR A 99 28.881 21.941 5.637 1.00 0.18 O ATOM 274 CB TYR A 99 31.177 22.258 3.334 1.00 0.15 C ATOM 275 CG TYR A 99 31.602 23.076 2.125 1.00 0.15 C ATOM 276 CD1 TYR A 99 31.945 22.422 0.922 1.00 0.78 C ATOM 277 CD2 TYR A 99 31.644 24.481 2.237 1.00 0.81 C ATOM 278 CE1 TYR A 99 32.322 23.192 -0.197 1.00 0.80 C ATOM 279 CE2 TYR A 99 32.009 25.249 1.121 1.00 0.80 C ATOM 280 CZ TYR A 99 32.342 24.598 -0.084 1.00 0.18 C ATOM 281 OH TYR A 99 32.693 25.390 -1.170 1.00 20.00 O ATOM 0 H TYR A 99 29.217 24.022 3.802 1.00 0.14 H new ATOM 0 HA TYR A 99 29.399 21.346 2.528 1.00 0.18 H new ATOM 0 HB2 TYR A 99 31.472 22.776 4.246 1.00 0.15 H new ATOM 0 HB3 TYR A 99 31.699 21.301 3.328 1.00 0.15 H new ATOM 0 HD1 TYR A 99 31.919 21.344 0.860 1.00 0.78 H new ATOM 0 HD2 TYR A 99 31.398 24.961 3.173 1.00 0.81 H new ATOM 0 HE1 TYR A 99 32.591 22.713 -1.127 1.00 0.80 H new ATOM 0 HE2 TYR A 99 32.035 26.327 1.185 1.00 0.80 H new ATOM 0 HH TYR A 99 32.652 26.335 -0.913 1.00 20.00 H new ATOM 291 N ILE A 100 29.228 19.994 4.527 1.00 0.20 N ATOM 292 CA ILE A 100 28.814 19.177 5.664 1.00 0.21 C ATOM 293 C ILE A 100 29.995 18.463 6.271 1.00 0.19 C ATOM 294 O ILE A 100 30.809 17.817 5.614 1.00 0.18 O ATOM 295 CB ILE A 100 27.732 18.173 5.231 1.00 0.23 C ATOM 296 CG1 ILE A 100 26.528 18.935 4.700 1.00 0.26 C ATOM 297 CG2 ILE A 100 27.288 17.237 6.366 1.00 0.17 C ATOM 298 CD1 ILE A 100 25.838 19.756 5.792 1.00 0.31 C ATOM 0 H ILE A 100 29.506 19.475 3.694 1.00 0.20 H new ATOM 0 HA ILE A 100 28.393 19.833 6.426 1.00 0.21 H new ATOM 0 HB ILE A 100 28.168 17.543 4.456 1.00 0.23 H new ATOM 0 HG12 ILE A 100 26.845 19.598 3.895 1.00 0.26 H new ATOM 0 HG13 ILE A 100 25.815 18.231 4.271 1.00 0.26 H new ATOM 0 HG21 ILE A 100 26.524 16.554 5.996 1.00 0.17 H new ATOM 0 HG22 ILE A 100 28.145 16.665 6.722 1.00 0.17 H new ATOM 0 HG23 ILE A 100 26.880 17.828 7.186 1.00 0.17 H new ATOM 0 HD11 ILE A 100 24.984 20.283 5.366 1.00 0.31 H new ATOM 0 HD12 ILE A 100 25.496 19.091 6.585 1.00 0.31 H new ATOM 0 HD13 ILE A 100 26.542 20.479 6.203 1.00 0.31 H new ATOM 310 N SER A 101 30.083 18.595 7.589 1.00 0.21 N ATOM 311 CA SER A 101 31.087 17.753 8.212 1.00 0.19 C ATOM 312 C SER A 101 30.407 16.563 8.840 1.00 0.15 C ATOM 313 O SER A 101 29.226 16.576 9.172 1.00 0.14 O ATOM 314 CB SER A 101 31.895 18.549 9.248 1.00 0.20 C ATOM 315 OG SER A 101 32.898 17.727 9.895 1.00 0.17 O ATOM 0 H SER A 101 29.535 19.208 8.192 1.00 0.21 H new ATOM 0 HA SER A 101 31.791 17.401 7.458 1.00 0.19 H new ATOM 0 HB2 SER A 101 32.378 19.395 8.760 1.00 0.20 H new ATOM 0 HB3 SER A 101 31.220 18.958 10.000 1.00 0.20 H new ATOM 0 HG SER A 101 33.393 18.267 10.546 1.00 0.17 H new ATOM 321 N ALA A 102 31.232 15.549 9.131 1.00 0.11 N ATOM 322 CA ALA A 102 30.732 14.350 9.814 1.00 0.07 C ATOM 323 C ALA A 102 29.925 14.697 11.076 1.00 0.04 C ATOM 324 O ALA A 102 28.818 14.262 11.411 1.00 0.03 O ATOM 325 CB ALA A 102 31.948 13.506 10.178 1.00 0.04 C ATOM 0 H ALA A 102 32.228 15.533 8.910 1.00 0.11 H new ATOM 0 HA ALA A 102 30.052 13.809 9.156 1.00 0.07 H new ATOM 0 HB1 ALA A 102 31.622 12.600 10.690 1.00 0.04 H new ATOM 0 HB2 ALA A 102 32.488 13.236 9.271 1.00 0.04 H new ATOM 0 HB3 ALA A 102 32.604 14.078 10.834 1.00 0.04 H new ATOM 331 N ALA A 103 30.519 15.681 11.793 1.00 0.06 N ATOM 332 CA ALA A 103 29.794 16.192 12.966 1.00 0.06 C ATOM 333 C ALA A 103 28.366 16.656 12.684 1.00 0.04 C ATOM 334 O ALA A 103 27.426 16.477 13.464 1.00 0.07 O ATOM 335 CB ALA A 103 30.559 17.344 13.613 1.00 0.12 C ATOM 0 H ALA A 103 31.426 16.105 11.598 1.00 0.06 H new ATOM 0 HA ALA A 103 29.723 15.337 13.638 1.00 0.06 H new ATOM 0 HB1 ALA A 103 30.006 17.707 14.479 1.00 0.12 H new ATOM 0 HB2 ALA A 103 31.542 16.995 13.931 1.00 0.12 H new ATOM 0 HB3 ALA A 103 30.677 18.153 12.892 1.00 0.12 H new ATOM 341 N GLU A 104 28.225 17.270 11.515 1.00 0.04 N ATOM 342 CA GLU A 104 26.887 17.606 11.071 1.00 0.05 C ATOM 343 C GLU A 104 26.070 16.465 10.579 1.00 0.05 C ATOM 344 O GLU A 104 24.867 16.488 10.803 1.00 0.17 O ATOM 345 CB GLU A 104 26.916 18.563 9.955 1.00 0.08 C ATOM 346 CG GLU A 104 26.248 19.903 10.284 1.00 0.66 C ATOM 347 CD GLU A 104 26.830 20.972 9.361 1.00 0.61 C ATOM 348 OE1 GLU A 104 27.391 20.600 8.332 1.00 0.43 O ATOM 349 OE2 GLU A 104 26.722 22.158 9.677 1.00 0.81 O ATOM 0 H GLU A 104 28.984 17.533 10.886 1.00 0.04 H new ATOM 0 HA GLU A 104 26.432 18.008 11.976 1.00 0.05 H new ATOM 0 HB2 GLU A 104 27.952 18.743 9.667 1.00 0.08 H new ATOM 0 HB3 GLU A 104 26.418 18.119 9.093 1.00 0.08 H new ATOM 0 HG2 GLU A 104 25.169 19.832 10.149 1.00 0.66 H new ATOM 0 HG3 GLU A 104 26.422 20.167 11.327 1.00 0.66 H new ATOM 356 N LEU A 105 26.724 15.451 10.004 1.00 0.07 N ATOM 357 CA LEU A 105 25.929 14.255 9.728 1.00 0.04 C ATOM 358 C LEU A 105 25.248 13.727 10.989 1.00 0.05 C ATOM 359 O LEU A 105 24.088 13.333 11.011 1.00 0.04 O ATOM 360 CB LEU A 105 26.793 13.216 9.023 1.00 0.02 C ATOM 361 CG LEU A 105 26.114 12.448 7.877 1.00 0.03 C ATOM 362 CD1 LEU A 105 24.919 11.597 8.314 1.00 0.13 C ATOM 363 CD2 LEU A 105 25.776 13.368 6.708 1.00 0.16 C ATOM 0 H LEU A 105 27.709 15.427 9.741 1.00 0.07 H new ATOM 0 HA LEU A 105 25.114 14.512 9.051 1.00 0.04 H new ATOM 0 HB2 LEU A 105 27.678 13.715 8.627 1.00 0.02 H new ATOM 0 HB3 LEU A 105 27.138 12.495 9.764 1.00 0.02 H new ATOM 0 HG LEU A 105 26.853 11.727 7.528 1.00 0.03 H new ATOM 0 HD11 LEU A 105 24.498 11.089 7.447 1.00 0.13 H new ATOM 0 HD12 LEU A 105 25.247 10.857 9.044 1.00 0.13 H new ATOM 0 HD13 LEU A 105 24.160 12.238 8.763 1.00 0.13 H new ATOM 0 HD21 LEU A 105 25.298 12.790 5.917 1.00 0.16 H new ATOM 0 HD22 LEU A 105 25.098 14.152 7.046 1.00 0.16 H new ATOM 0 HD23 LEU A 105 26.691 13.820 6.325 1.00 0.16 H new ATOM 375 N ARG A 106 25.983 13.865 12.104 1.00 0.09 N ATOM 376 CA ARG A 106 25.379 13.543 13.395 1.00 0.13 C ATOM 377 C ARG A 106 24.271 14.500 13.814 1.00 0.12 C ATOM 378 O ARG A 106 23.333 14.158 14.537 1.00 0.11 O ATOM 379 CB ARG A 106 26.449 13.475 14.479 1.00 0.23 C ATOM 380 CG ARG A 106 25.867 13.222 15.867 1.00 1.61 C ATOM 381 CD ARG A 106 26.929 13.216 16.943 1.00 1.56 C ATOM 382 NE ARG A 106 26.292 13.242 18.256 1.00 2.66 N ATOM 383 CZ ARG A 106 27.061 12.935 19.319 1.00 2.57 C ATOM 384 NH1 ARG A 106 28.335 12.610 19.166 1.00 2.04 N ATOM 385 NH2 ARG A 106 26.528 12.945 20.534 1.00 3.52 N ATOM 0 H ARG A 106 26.952 14.183 12.136 1.00 0.09 H new ATOM 0 HA ARG A 106 24.909 12.568 13.271 1.00 0.13 H new ATOM 0 HB2 ARG A 106 27.156 12.682 14.236 1.00 0.23 H new ATOM 0 HB3 ARG A 106 27.009 14.410 14.490 1.00 0.23 H new ATOM 0 HG2 ARG A 106 25.128 13.990 16.094 1.00 1.61 H new ATOM 0 HG3 ARG A 106 25.344 12.266 15.870 1.00 1.61 H new ATOM 0 HD2 ARG A 106 27.553 12.328 16.848 1.00 1.56 H new ATOM 0 HD3 ARG A 106 27.584 14.080 16.827 1.00 1.56 H new ATOM 0 HE ARG A 106 25.307 13.482 18.364 1.00 2.66 H new ATOM 0 HH11 ARG A 106 28.748 12.589 18.233 1.00 2.04 H new ATOM 0 HH12 ARG A 106 28.904 12.380 19.981 1.00 2.04 H new ATOM 0 HH21 ARG A 106 25.544 13.184 20.657 1.00 3.52 H new ATOM 0 HH22 ARG A 106 27.102 12.714 21.345 1.00 3.52 H new ATOM 399 N HIS A 107 24.410 15.748 13.371 1.00 0.12 N ATOM 400 CA HIS A 107 23.282 16.656 13.580 1.00 0.15 C ATOM 401 C HIS A 107 22.046 16.172 12.844 1.00 0.12 C ATOM 402 O HIS A 107 20.981 15.999 13.439 1.00 0.16 O ATOM 403 CB HIS A 107 23.650 18.101 13.209 1.00 0.18 C ATOM 404 CG HIS A 107 22.461 19.020 13.368 1.00 0.23 C ATOM 405 ND1 HIS A 107 22.020 20.005 12.482 1.00 0.49 N flip ATOM 406 CD2 HIS A 107 21.628 18.984 14.424 1.00 0.28 C flip ATOM 407 CE1 HIS A 107 20.909 20.555 13.027 1.00 0.45 C flip ATOM 408 NE2 HIS A 107 20.661 19.933 14.216 1.00 0.26 N flip ATOM 0 H HIS A 107 25.227 16.135 12.899 1.00 0.12 H new ATOM 0 HA HIS A 107 23.042 16.655 14.643 1.00 0.15 H new ATOM 0 HB2 HIS A 107 24.468 18.446 13.842 1.00 0.18 H new ATOM 0 HB3 HIS A 107 24.007 18.136 12.180 1.00 0.18 H new ATOM 0 HD1 HIS A 107 22.452 20.261 11.594 1.00 0.49 H new ATOM 0 HD2 HIS A 107 21.707 18.328 15.278 1.00 0.28 H new ATOM 0 HE1 HIS A 107 20.320 21.350 12.594 1.00 0.45 H new ATOM 416 N VAL A 108 22.270 15.877 11.548 1.00 0.08 N ATOM 417 CA VAL A 108 21.175 15.353 10.738 1.00 0.09 C ATOM 418 C VAL A 108 20.583 14.115 11.376 1.00 0.09 C ATOM 419 O VAL A 108 19.385 13.976 11.532 1.00 0.10 O ATOM 420 CB VAL A 108 21.544 15.155 9.240 1.00 0.09 C ATOM 421 CG1 VAL A 108 22.588 16.170 8.786 1.00 0.10 C ATOM 422 CG2 VAL A 108 21.974 13.754 8.810 1.00 0.09 C ATOM 0 H VAL A 108 23.161 15.989 11.065 1.00 0.08 H new ATOM 0 HA VAL A 108 20.398 16.117 10.720 1.00 0.09 H new ATOM 0 HB VAL A 108 20.590 15.318 8.738 1.00 0.09 H new ATOM 0 HG11 VAL A 108 22.824 16.004 7.735 1.00 0.10 H new ATOM 0 HG12 VAL A 108 22.195 17.179 8.915 1.00 0.10 H new ATOM 0 HG13 VAL A 108 23.492 16.054 9.383 1.00 0.10 H new ATOM 0 HG21 VAL A 108 22.202 13.755 7.744 1.00 0.09 H new ATOM 0 HG22 VAL A 108 22.860 13.457 9.371 1.00 0.09 H new ATOM 0 HG23 VAL A 108 21.167 13.049 9.008 1.00 0.09 H new ATOM 432 N MET A 109 21.487 13.275 11.907 1.00 0.09 N ATOM 433 CA MET A 109 21.087 12.083 12.673 1.00 0.10 C ATOM 434 C MET A 109 20.266 12.407 13.914 1.00 0.09 C ATOM 435 O MET A 109 19.260 11.811 14.280 1.00 0.10 O ATOM 436 CB MET A 109 22.320 11.262 13.062 1.00 0.10 C ATOM 437 CG MET A 109 23.060 10.645 11.874 1.00 0.10 C ATOM 438 SD MET A 109 22.862 8.869 11.673 1.00 0.12 S ATOM 439 CE MET A 109 21.079 8.761 11.464 1.00 0.08 C ATOM 0 H MET A 109 22.496 13.399 11.820 1.00 0.09 H new ATOM 0 HA MET A 109 20.442 11.500 12.015 1.00 0.10 H new ATOM 0 HB2 MET A 109 23.010 11.901 13.614 1.00 0.10 H new ATOM 0 HB3 MET A 109 22.013 10.465 13.739 1.00 0.10 H new ATOM 0 HG2 MET A 109 22.720 11.136 10.962 1.00 0.10 H new ATOM 0 HG3 MET A 109 24.123 10.865 11.977 1.00 0.10 H new ATOM 0 HE1 MET A 109 20.819 7.786 11.051 1.00 0.08 H new ATOM 0 HE2 MET A 109 20.591 8.887 12.431 1.00 0.08 H new ATOM 0 HE3 MET A 109 20.744 9.544 10.784 1.00 0.08 H new ATOM 449 N THR A 110 20.707 13.495 14.561 1.00 0.08 N ATOM 450 CA THR A 110 19.895 14.036 15.657 1.00 0.10 C ATOM 451 C THR A 110 18.463 14.319 15.261 1.00 0.15 C ATOM 452 O THR A 110 17.548 13.929 15.971 1.00 0.16 O ATOM 453 CB THR A 110 20.490 15.313 16.266 1.00 0.15 C ATOM 454 OG1 THR A 110 21.876 15.147 16.582 1.00 0.15 O ATOM 455 CG2 THR A 110 19.733 15.773 17.517 1.00 0.18 C ATOM 0 H THR A 110 21.573 13.995 14.360 1.00 0.08 H new ATOM 0 HA THR A 110 19.902 13.242 16.404 1.00 0.10 H new ATOM 0 HB THR A 110 20.386 16.085 15.503 1.00 0.15 H new ATOM 0 HG1 THR A 110 22.373 14.923 15.767 1.00 0.15 H new ATOM 0 HG21 THR A 110 20.194 16.680 17.908 1.00 0.18 H new ATOM 0 HG22 THR A 110 18.694 15.977 17.259 1.00 0.18 H new ATOM 0 HG23 THR A 110 19.772 14.990 18.274 1.00 0.18 H new ATOM 463 N ASN A 111 18.348 15.002 14.116 1.00 0.21 N ATOM 464 CA ASN A 111 17.040 15.254 13.513 1.00 0.29 C ATOM 465 C ASN A 111 16.311 13.980 13.126 1.00 0.30 C ATOM 466 O ASN A 111 15.107 13.850 13.256 1.00 0.35 O ATOM 467 CB ASN A 111 17.222 16.142 12.285 1.00 0.35 C ATOM 468 CG ASN A 111 15.886 16.543 11.691 1.00 0.46 C ATOM 469 OD1 ASN A 111 15.300 15.612 10.928 1.00 1.12 O flip ATOM 470 ND2 ASN A 111 15.388 17.624 11.966 1.00 0.78 N flip ATOM 0 H ASN A 111 19.137 15.385 13.595 1.00 0.21 H new ATOM 0 HA ASN A 111 16.423 15.751 14.261 1.00 0.29 H new ATOM 0 HB2 ASN A 111 17.783 17.035 12.560 1.00 0.35 H new ATOM 0 HB3 ASN A 111 17.811 15.613 11.536 1.00 0.35 H new ATOM 0 HD21 ASN A 111 15.896 18.284 12.555 1.00 0.78 H new ATOM 0 HD22 ASN A 111 14.465 17.866 11.607 1.00 0.78 H new ATOM 477 N LEU A 112 17.111 13.023 12.650 1.00 0.28 N ATOM 478 CA LEU A 112 16.576 11.710 12.299 1.00 0.32 C ATOM 479 C LEU A 112 16.010 10.985 13.517 1.00 0.36 C ATOM 480 O LEU A 112 15.324 9.983 13.421 1.00 0.43 O ATOM 481 CB LEU A 112 17.668 10.879 11.605 1.00 0.30 C ATOM 482 CG LEU A 112 17.789 10.966 10.069 1.00 0.29 C ATOM 483 CD1 LEU A 112 16.700 10.146 9.386 1.00 0.22 C ATOM 484 CD2 LEU A 112 17.851 12.380 9.487 1.00 0.45 C ATOM 0 H LEU A 112 18.114 13.131 12.501 1.00 0.28 H new ATOM 0 HA LEU A 112 15.745 11.847 11.607 1.00 0.32 H new ATOM 0 HB2 LEU A 112 18.628 11.170 12.031 1.00 0.30 H new ATOM 0 HB3 LEU A 112 17.507 9.833 11.867 1.00 0.30 H new ATOM 0 HG LEU A 112 18.767 10.537 9.852 1.00 0.29 H new ATOM 0 HD11 LEU A 112 16.809 10.225 8.304 1.00 0.22 H new ATOM 0 HD12 LEU A 112 16.790 9.101 9.684 1.00 0.22 H new ATOM 0 HD13 LEU A 112 15.721 10.524 9.681 1.00 0.22 H new ATOM 0 HD21 LEU A 112 17.935 12.323 8.402 1.00 0.45 H new ATOM 0 HD22 LEU A 112 16.944 12.923 9.753 1.00 0.45 H new ATOM 0 HD23 LEU A 112 18.718 12.902 9.891 1.00 0.45 H new ATOM 496 N GLY A 113 16.321 11.555 14.691 1.00 0.35 N ATOM 497 CA GLY A 113 15.836 10.940 15.913 1.00 0.41 C ATOM 498 C GLY A 113 16.913 10.080 16.532 1.00 0.25 C ATOM 499 O GLY A 113 17.056 9.982 17.752 1.00 0.23 O ATOM 0 H GLY A 113 16.880 12.400 14.810 1.00 0.35 H new ATOM 0 HA2 GLY A 113 15.527 11.711 16.618 1.00 0.41 H new ATOM 0 HA3 GLY A 113 14.956 10.334 15.698 1.00 0.41 H new ATOM 503 N GLU A 114 17.680 9.476 15.624 1.00 0.23 N ATOM 504 CA GLU A 114 18.681 8.502 16.018 1.00 0.16 C ATOM 505 C GLU A 114 20.051 9.104 15.841 1.00 0.17 C ATOM 506 O GLU A 114 20.511 9.364 14.747 1.00 0.30 O ATOM 507 CB GLU A 114 18.470 7.247 15.173 1.00 0.31 C ATOM 508 CG GLU A 114 17.067 6.706 15.468 1.00 0.32 C ATOM 509 CD GLU A 114 16.543 5.793 14.380 1.00 1.29 C ATOM 510 OE1 GLU A 114 16.169 6.305 13.325 1.00 2.29 O ATOM 511 OE2 GLU A 114 16.452 4.589 14.623 1.00 1.69 O ATOM 0 H GLU A 114 17.623 9.646 14.620 1.00 0.23 H new ATOM 0 HA GLU A 114 18.590 8.224 17.068 1.00 0.16 H new ATOM 0 HB2 GLU A 114 18.573 7.480 14.113 1.00 0.31 H new ATOM 0 HB3 GLU A 114 19.225 6.497 15.410 1.00 0.31 H new ATOM 0 HG2 GLU A 114 17.085 6.163 16.413 1.00 0.32 H new ATOM 0 HG3 GLU A 114 16.380 7.543 15.594 1.00 0.32 H new ATOM 518 N LYS A 115 20.676 9.398 16.988 1.00 0.05 N ATOM 519 CA LYS A 115 22.023 9.960 16.871 1.00 0.07 C ATOM 520 C LYS A 115 23.055 8.874 16.848 1.00 0.16 C ATOM 521 O LYS A 115 22.984 7.995 17.691 1.00 0.16 O ATOM 522 CB LYS A 115 22.346 10.832 18.075 1.00 0.13 C ATOM 523 CG LYS A 115 21.458 12.060 18.197 1.00 0.23 C ATOM 524 CD LYS A 115 21.751 12.817 19.489 1.00 0.62 C ATOM 525 CE LYS A 115 21.162 12.123 20.717 1.00 0.67 C ATOM 526 NZ LYS A 115 19.749 12.489 20.851 1.00 1.51 N ATOM 0 H LYS A 115 20.309 9.270 17.931 1.00 0.05 H new ATOM 0 HA LYS A 115 22.043 10.538 15.947 1.00 0.07 H new ATOM 0 HB2 LYS A 115 22.250 10.234 18.981 1.00 0.13 H new ATOM 0 HB3 LYS A 115 23.386 11.152 18.012 1.00 0.13 H new ATOM 0 HG2 LYS A 115 21.619 12.716 17.342 1.00 0.23 H new ATOM 0 HG3 LYS A 115 20.410 11.760 18.176 1.00 0.23 H new ATOM 0 HD2 LYS A 115 22.829 12.915 19.613 1.00 0.62 H new ATOM 0 HD3 LYS A 115 21.345 13.826 19.416 1.00 0.62 H new ATOM 0 HE2 LYS A 115 21.262 11.042 20.620 1.00 0.67 H new ATOM 0 HE3 LYS A 115 21.711 12.415 21.612 1.00 0.67 H new ATOM 0 HZ1 LYS A 115 19.346 12.018 21.686 1.00 1.51 H new ATOM 0 HZ2 LYS A 115 19.666 13.520 20.961 1.00 1.51 H new ATOM 0 HZ3 LYS A 115 19.231 12.189 20.001 1.00 1.51 H new ATOM 540 N LEU A 116 23.999 9.015 15.939 1.00 0.29 N ATOM 541 CA LEU A 116 25.013 7.979 15.912 1.00 0.43 C ATOM 542 C LEU A 116 26.268 8.478 16.602 1.00 0.31 C ATOM 543 O LEU A 116 26.486 9.682 16.771 1.00 0.48 O ATOM 544 CB LEU A 116 25.247 7.584 14.466 1.00 0.69 C ATOM 545 CG LEU A 116 24.309 6.548 13.812 1.00 2.59 C ATOM 546 CD1 LEU A 116 24.741 5.124 14.115 1.00 3.39 C ATOM 547 CD2 LEU A 116 22.822 6.704 14.122 1.00 3.77 C ATOM 0 H LEU A 116 24.088 9.771 15.260 1.00 0.29 H new ATOM 0 HA LEU A 116 24.693 7.090 16.456 1.00 0.43 H new ATOM 0 HB2 LEU A 116 25.203 8.493 13.866 1.00 0.69 H new ATOM 0 HB3 LEU A 116 26.265 7.201 14.390 1.00 0.69 H new ATOM 0 HG LEU A 116 24.414 6.759 12.748 1.00 2.59 H new ATOM 0 HD11 LEU A 116 24.054 4.426 13.636 1.00 3.39 H new ATOM 0 HD12 LEU A 116 25.749 4.961 13.734 1.00 3.39 H new ATOM 0 HD13 LEU A 116 24.730 4.962 15.193 1.00 3.39 H new ATOM 0 HD21 LEU A 116 22.260 5.923 13.610 1.00 3.77 H new ATOM 0 HD22 LEU A 116 22.664 6.620 15.197 1.00 3.77 H new ATOM 0 HD23 LEU A 116 22.480 7.681 13.780 1.00 3.77 H new ATOM 559 N THR A 117 27.039 7.502 17.082 1.00 0.28 N ATOM 560 CA THR A 117 28.187 7.910 17.875 1.00 0.13 C ATOM 561 C THR A 117 29.327 8.392 17.014 1.00 0.22 C ATOM 562 O THR A 117 29.306 8.238 15.809 1.00 0.25 O ATOM 563 CB THR A 117 28.617 6.763 18.783 1.00 0.09 C ATOM 564 OG1 THR A 117 28.935 5.600 18.031 1.00 0.18 O ATOM 565 CG2 THR A 117 27.483 6.422 19.752 1.00 0.30 C ATOM 0 H THR A 117 26.904 6.500 16.949 1.00 0.28 H new ATOM 0 HA THR A 117 27.892 8.757 18.494 1.00 0.13 H new ATOM 0 HB THR A 117 29.504 7.084 19.329 1.00 0.09 H new ATOM 0 HG1 THR A 117 29.209 4.882 18.639 1.00 0.18 H new ATOM 0 HG21 THR A 117 27.792 5.602 20.400 1.00 0.30 H new ATOM 0 HG22 THR A 117 27.248 7.296 20.360 1.00 0.30 H new ATOM 0 HG23 THR A 117 26.599 6.125 19.188 1.00 0.30 H new ATOM 573 N ASP A 118 30.329 8.969 17.677 1.00 0.30 N ATOM 574 CA ASP A 118 31.467 9.526 16.945 1.00 0.39 C ATOM 575 C ASP A 118 32.164 8.542 16.004 1.00 0.35 C ATOM 576 O ASP A 118 32.592 8.909 14.925 1.00 0.38 O ATOM 577 CB ASP A 118 32.414 10.248 17.932 1.00 0.47 C ATOM 578 CG ASP A 118 31.715 11.386 18.707 1.00 0.45 C ATOM 579 OD1 ASP A 118 30.608 11.796 18.368 1.00 1.60 O ATOM 580 OD2 ASP A 118 32.260 11.889 19.683 1.00 0.69 O ATOM 0 H ASP A 118 30.378 9.062 18.692 1.00 0.30 H new ATOM 0 HA ASP A 118 31.080 10.269 16.247 1.00 0.39 H new ATOM 0 HB2 ASP A 118 32.813 9.523 18.641 1.00 0.47 H new ATOM 0 HB3 ASP A 118 33.262 10.656 17.382 1.00 0.47 H new ATOM 585 N GLU A 119 32.142 7.260 16.412 1.00 0.29 N ATOM 586 CA GLU A 119 32.697 6.188 15.571 1.00 0.26 C ATOM 587 C GLU A 119 32.003 6.107 14.217 1.00 0.24 C ATOM 588 O GLU A 119 32.567 6.122 13.133 1.00 0.32 O ATOM 589 CB GLU A 119 32.543 4.870 16.333 1.00 0.24 C ATOM 590 CG GLU A 119 33.488 3.756 15.888 1.00 0.29 C ATOM 591 CD GLU A 119 33.081 2.467 16.573 1.00 0.96 C ATOM 592 OE1 GLU A 119 32.250 1.760 16.018 1.00 1.75 O ATOM 593 OE2 GLU A 119 33.584 2.173 17.659 1.00 1.48 O ATOM 0 H GLU A 119 31.754 6.947 17.302 1.00 0.29 H new ATOM 0 HA GLU A 119 33.747 6.397 15.367 1.00 0.26 H new ATOM 0 HB2 GLU A 119 32.703 5.060 17.394 1.00 0.24 H new ATOM 0 HB3 GLU A 119 31.516 4.521 16.223 1.00 0.24 H new ATOM 0 HG2 GLU A 119 33.448 3.637 14.805 1.00 0.29 H new ATOM 0 HG3 GLU A 119 34.517 4.010 16.143 1.00 0.29 H new ATOM 600 N GLU A 120 30.681 6.117 14.392 1.00 0.22 N ATOM 601 CA GLU A 120 29.776 6.077 13.265 1.00 0.23 C ATOM 602 C GLU A 120 29.861 7.335 12.446 1.00 0.25 C ATOM 603 O GLU A 120 29.845 7.320 11.243 1.00 0.32 O ATOM 604 CB GLU A 120 28.383 5.899 13.820 1.00 0.23 C ATOM 605 CG GLU A 120 28.237 4.566 14.555 1.00 0.24 C ATOM 606 CD GLU A 120 27.930 3.457 13.573 1.00 0.35 C ATOM 607 OE1 GLU A 120 27.444 3.753 12.485 1.00 0.68 O ATOM 608 OE2 GLU A 120 28.158 2.304 13.922 1.00 0.62 O ATOM 0 H GLU A 120 30.224 6.152 15.303 1.00 0.22 H new ATOM 0 HA GLU A 120 30.041 5.254 12.601 1.00 0.23 H new ATOM 0 HB2 GLU A 120 28.155 6.718 14.502 1.00 0.23 H new ATOM 0 HB3 GLU A 120 27.658 5.949 13.008 1.00 0.23 H new ATOM 0 HG2 GLU A 120 29.156 4.338 15.096 1.00 0.24 H new ATOM 0 HG3 GLU A 120 27.440 4.636 15.296 1.00 0.24 H new ATOM 615 N VAL A 121 29.999 8.469 13.132 1.00 0.19 N ATOM 616 CA VAL A 121 30.207 9.743 12.428 1.00 0.19 C ATOM 617 C VAL A 121 31.382 9.724 11.430 1.00 0.20 C ATOM 618 O VAL A 121 31.372 10.280 10.342 1.00 0.23 O ATOM 619 CB VAL A 121 30.327 10.810 13.523 1.00 0.18 C ATOM 620 CG1 VAL A 121 30.657 12.191 13.019 1.00 0.44 C ATOM 621 CG2 VAL A 121 29.037 10.890 14.332 1.00 0.44 C ATOM 0 H VAL A 121 29.972 8.538 14.149 1.00 0.19 H new ATOM 0 HA VAL A 121 29.365 9.963 11.771 1.00 0.19 H new ATOM 0 HB VAL A 121 31.166 10.485 14.139 1.00 0.18 H new ATOM 0 HG11 VAL A 121 30.722 12.880 13.861 1.00 0.44 H new ATOM 0 HG12 VAL A 121 31.612 12.168 12.494 1.00 0.44 H new ATOM 0 HG13 VAL A 121 29.876 12.525 12.336 1.00 0.44 H new ATOM 0 HG21 VAL A 121 29.139 11.652 15.105 1.00 0.44 H new ATOM 0 HG22 VAL A 121 28.209 11.151 13.672 1.00 0.44 H new ATOM 0 HG23 VAL A 121 28.839 9.925 14.798 1.00 0.44 H new ATOM 631 N ASP A 122 32.389 8.947 11.836 1.00 0.18 N ATOM 632 CA ASP A 122 33.447 8.705 10.854 1.00 0.18 C ATOM 633 C ASP A 122 32.987 7.846 9.688 1.00 0.19 C ATOM 634 O ASP A 122 33.263 8.101 8.526 1.00 0.22 O ATOM 635 CB ASP A 122 34.671 8.060 11.503 1.00 0.21 C ATOM 636 CG ASP A 122 35.367 8.957 12.521 1.00 0.33 C ATOM 637 OD1 ASP A 122 34.997 10.121 12.699 1.00 0.80 O ATOM 638 OD2 ASP A 122 36.307 8.479 13.149 1.00 1.29 O ATOM 0 H ASP A 122 32.495 8.510 12.751 1.00 0.18 H new ATOM 0 HA ASP A 122 33.715 9.686 10.462 1.00 0.18 H new ATOM 0 HB2 ASP A 122 34.367 7.136 11.994 1.00 0.21 H new ATOM 0 HB3 ASP A 122 35.383 7.788 10.724 1.00 0.21 H new ATOM 643 N GLU A 123 32.215 6.812 10.027 1.00 0.18 N ATOM 644 CA GLU A 123 31.502 6.104 8.960 1.00 0.19 C ATOM 645 C GLU A 123 30.588 6.990 8.117 1.00 0.17 C ATOM 646 O GLU A 123 30.360 6.740 6.944 1.00 0.18 O ATOM 647 CB GLU A 123 30.716 4.921 9.524 1.00 0.20 C ATOM 648 CG GLU A 123 30.194 4.014 8.412 1.00 1.72 C ATOM 649 CD GLU A 123 29.227 3.002 8.964 1.00 2.29 C ATOM 650 OE1 GLU A 123 29.681 1.973 9.461 1.00 3.19 O ATOM 651 OE2 GLU A 123 28.028 3.236 8.853 1.00 2.51 O ATOM 0 H GLU A 123 32.071 6.460 10.974 1.00 0.18 H new ATOM 0 HA GLU A 123 32.279 5.745 8.284 1.00 0.19 H new ATOM 0 HB2 GLU A 123 31.354 4.346 10.195 1.00 0.20 H new ATOM 0 HB3 GLU A 123 29.879 5.289 10.118 1.00 0.20 H new ATOM 0 HG2 GLU A 123 29.703 4.614 7.646 1.00 1.72 H new ATOM 0 HG3 GLU A 123 31.028 3.503 7.930 1.00 1.72 H new ATOM 658 N MET A 124 30.117 8.078 8.734 1.00 0.14 N ATOM 659 CA MET A 124 29.347 9.067 7.999 1.00 0.12 C ATOM 660 C MET A 124 30.174 9.713 6.951 1.00 0.09 C ATOM 661 O MET A 124 29.682 9.890 5.855 1.00 0.09 O ATOM 662 CB MET A 124 28.834 10.182 8.877 1.00 0.11 C ATOM 663 CG MET A 124 27.642 9.812 9.727 1.00 0.17 C ATOM 664 SD MET A 124 27.486 8.094 10.147 1.00 1.63 S ATOM 665 CE MET A 124 26.363 8.438 11.466 1.00 1.81 C ATOM 0 H MET A 124 30.255 8.288 9.723 1.00 0.14 H new ATOM 0 HA MET A 124 28.510 8.514 7.572 1.00 0.12 H new ATOM 0 HB2 MET A 124 29.641 10.514 9.530 1.00 0.11 H new ATOM 0 HB3 MET A 124 28.566 11.030 8.246 1.00 0.11 H new ATOM 0 HG2 MET A 124 27.687 10.388 10.651 1.00 0.17 H new ATOM 0 HG3 MET A 124 26.738 10.121 9.203 1.00 0.17 H new ATOM 0 HE1 MET A 124 25.503 7.772 11.395 1.00 1.81 H new ATOM 0 HE2 MET A 124 26.865 8.282 12.421 1.00 1.81 H new ATOM 0 HE3 MET A 124 26.027 9.473 11.398 1.00 1.81 H new ATOM 675 N ILE A 125 31.443 10.008 7.292 1.00 0.09 N ATOM 676 CA ILE A 125 32.325 10.404 6.198 1.00 0.07 C ATOM 677 C ILE A 125 32.298 9.361 5.107 1.00 0.08 C ATOM 678 O ILE A 125 32.070 9.676 3.970 1.00 0.08 O ATOM 679 CB ILE A 125 33.764 10.703 6.661 1.00 0.07 C ATOM 680 CG1 ILE A 125 33.737 11.906 7.598 1.00 0.06 C ATOM 681 CG2 ILE A 125 34.686 11.004 5.468 1.00 0.09 C ATOM 682 CD1 ILE A 125 35.122 12.436 7.979 1.00 0.07 C ATOM 0 H ILE A 125 31.847 9.983 8.228 1.00 0.09 H new ATOM 0 HA ILE A 125 31.944 11.343 5.798 1.00 0.07 H new ATOM 0 HB ILE A 125 34.155 9.825 7.174 1.00 0.07 H new ATOM 0 HG12 ILE A 125 33.171 12.708 7.125 1.00 0.06 H new ATOM 0 HG13 ILE A 125 33.202 11.632 8.507 1.00 0.06 H new ATOM 0 HG21 ILE A 125 35.693 11.211 5.830 1.00 0.09 H new ATOM 0 HG22 ILE A 125 34.710 10.143 4.800 1.00 0.09 H new ATOM 0 HG23 ILE A 125 34.310 11.872 4.927 1.00 0.09 H new ATOM 0 HD11 ILE A 125 35.013 13.291 8.647 1.00 0.07 H new ATOM 0 HD12 ILE A 125 35.686 11.651 8.483 1.00 0.07 H new ATOM 0 HD13 ILE A 125 35.654 12.744 7.079 1.00 0.07 H new ATOM 694 N ARG A 126 32.449 8.094 5.458 1.00 0.13 N ATOM 695 CA ARG A 126 32.430 7.101 4.370 1.00 0.15 C ATOM 696 C ARG A 126 31.156 7.042 3.512 1.00 0.10 C ATOM 697 O ARG A 126 31.173 7.106 2.288 1.00 0.09 O ATOM 698 CB ARG A 126 32.822 5.740 4.963 1.00 0.22 C ATOM 699 CG ARG A 126 32.828 4.519 4.033 1.00 0.47 C ATOM 700 CD ARG A 126 31.480 3.797 3.938 1.00 0.81 C ATOM 701 NE ARG A 126 30.930 3.861 2.580 1.00 1.67 N ATOM 702 CZ ARG A 126 29.667 3.443 2.349 1.00 2.87 C ATOM 703 NH1 ARG A 126 28.908 3.056 3.369 1.00 3.16 N ATOM 704 NH2 ARG A 126 29.176 3.404 1.114 1.00 4.42 N ATOM 0 H ARG A 126 32.577 7.737 6.405 1.00 0.13 H new ATOM 0 HA ARG A 126 33.161 7.428 3.631 1.00 0.15 H new ATOM 0 HB2 ARG A 126 33.820 5.838 5.391 1.00 0.22 H new ATOM 0 HB3 ARG A 126 32.141 5.527 5.787 1.00 0.22 H new ATOM 0 HG2 ARG A 126 33.128 4.838 3.035 1.00 0.47 H new ATOM 0 HG3 ARG A 126 33.582 3.814 4.382 1.00 0.47 H new ATOM 0 HD2 ARG A 126 31.603 2.755 4.233 1.00 0.81 H new ATOM 0 HD3 ARG A 126 30.776 4.246 4.638 1.00 0.81 H new ATOM 0 HE ARG A 126 31.499 4.220 1.813 1.00 1.67 H new ATOM 0 HH11 ARG A 126 29.281 3.076 4.318 1.00 3.16 H new ATOM 0 HH12 ARG A 126 27.953 2.739 3.203 1.00 3.16 H new ATOM 0 HH21 ARG A 126 29.755 3.692 0.326 1.00 4.42 H new ATOM 0 HH22 ARG A 126 28.220 3.086 0.955 1.00 4.42 H new ATOM 718 N GLU A 127 30.029 6.868 4.220 1.00 0.11 N ATOM 719 CA GLU A 127 28.734 6.707 3.553 1.00 0.09 C ATOM 720 C GLU A 127 28.294 7.963 2.821 1.00 0.09 C ATOM 721 O GLU A 127 27.542 7.953 1.851 1.00 0.12 O ATOM 722 CB GLU A 127 27.681 6.219 4.576 1.00 0.16 C ATOM 723 CG GLU A 127 26.281 5.900 4.005 1.00 0.26 C ATOM 724 CD GLU A 127 25.812 4.456 4.250 1.00 0.81 C ATOM 725 OE1 GLU A 127 26.341 3.512 3.653 1.00 0.98 O ATOM 726 OE2 GLU A 127 24.880 4.248 5.031 1.00 1.95 O ATOM 0 H GLU A 127 29.990 6.836 5.239 1.00 0.11 H new ATOM 0 HA GLU A 127 28.840 5.948 2.778 1.00 0.09 H new ATOM 0 HB2 GLU A 127 28.065 5.324 5.064 1.00 0.16 H new ATOM 0 HB3 GLU A 127 27.572 6.981 5.348 1.00 0.16 H new ATOM 0 HG2 GLU A 127 25.557 6.585 4.446 1.00 0.26 H new ATOM 0 HG3 GLU A 127 26.287 6.091 2.932 1.00 0.26 H new ATOM 733 N ALA A 128 28.779 9.082 3.361 1.00 0.08 N ATOM 734 CA ALA A 128 28.417 10.339 2.731 1.00 0.11 C ATOM 735 C ALA A 128 29.387 10.832 1.684 1.00 0.11 C ATOM 736 O ALA A 128 28.959 11.512 0.766 1.00 0.09 O ATOM 737 CB ALA A 128 28.185 11.412 3.779 1.00 0.11 C ATOM 0 H ALA A 128 29.384 9.142 4.180 1.00 0.08 H new ATOM 0 HA ALA A 128 27.493 10.129 2.192 1.00 0.11 H new ATOM 0 HB1 ALA A 128 27.915 12.347 3.289 1.00 0.11 H new ATOM 0 HB2 ALA A 128 27.377 11.104 4.443 1.00 0.11 H new ATOM 0 HB3 ALA A 128 29.096 11.557 4.359 1.00 0.11 H new ATOM 743 N ASP A 129 30.641 10.391 1.836 1.00 0.15 N ATOM 744 CA ASP A 129 31.715 10.741 0.913 1.00 0.20 C ATOM 745 C ASP A 129 31.805 9.739 -0.233 1.00 0.20 C ATOM 746 O ASP A 129 32.403 8.669 -0.149 1.00 0.24 O ATOM 747 CB ASP A 129 33.067 10.895 1.656 1.00 0.28 C ATOM 748 CG ASP A 129 34.110 11.439 0.680 1.00 1.08 C ATOM 749 OD1 ASP A 129 33.726 12.094 -0.289 1.00 1.93 O ATOM 750 OD2 ASP A 129 35.296 11.208 0.905 1.00 1.71 O ATOM 0 H ASP A 129 30.934 9.784 2.601 1.00 0.15 H new ATOM 0 HA ASP A 129 31.478 11.711 0.475 1.00 0.20 H new ATOM 0 HB2 ASP A 129 32.956 11.571 2.504 1.00 0.28 H new ATOM 0 HB3 ASP A 129 33.390 9.933 2.055 1.00 0.28 H new ATOM 755 N ILE A 130 31.106 10.070 -1.312 1.00 0.18 N ATOM 756 CA ILE A 130 31.096 9.198 -2.491 1.00 0.19 C ATOM 757 C ILE A 130 32.130 9.600 -3.555 1.00 0.30 C ATOM 758 O ILE A 130 32.669 8.786 -4.316 1.00 0.45 O ATOM 759 CB ILE A 130 29.660 9.101 -3.066 1.00 0.09 C ATOM 760 CG1 ILE A 130 28.723 8.298 -2.153 1.00 0.10 C ATOM 761 CG2 ILE A 130 29.626 8.425 -4.442 1.00 0.06 C ATOM 762 CD1 ILE A 130 28.122 9.041 -0.967 1.00 0.13 C ATOM 0 H ILE A 130 30.547 10.919 -1.400 1.00 0.18 H new ATOM 0 HA ILE A 130 31.405 8.204 -2.166 1.00 0.19 H new ATOM 0 HB ILE A 130 29.323 10.135 -3.144 1.00 0.09 H new ATOM 0 HG12 ILE A 130 27.906 7.910 -2.761 1.00 0.10 H new ATOM 0 HG13 ILE A 130 29.274 7.438 -1.772 1.00 0.10 H new ATOM 0 HG21 ILE A 130 28.598 8.382 -4.801 1.00 0.06 H new ATOM 0 HG22 ILE A 130 30.231 8.998 -5.144 1.00 0.06 H new ATOM 0 HG23 ILE A 130 30.025 7.414 -4.361 1.00 0.06 H new ATOM 0 HD11 ILE A 130 27.480 8.365 -0.402 1.00 0.13 H new ATOM 0 HD12 ILE A 130 28.922 9.406 -0.323 1.00 0.13 H new ATOM 0 HD13 ILE A 130 27.533 9.885 -1.327 1.00 0.13 H new ATOM 774 N ASP A 131 32.342 10.908 -3.598 1.00 0.31 N ATOM 775 CA ASP A 131 33.341 11.516 -4.459 1.00 0.41 C ATOM 776 C ASP A 131 34.782 11.207 -4.041 1.00 0.65 C ATOM 777 O ASP A 131 35.667 11.001 -4.883 1.00 0.73 O ATOM 778 CB ASP A 131 33.009 13.015 -4.618 1.00 0.32 C ATOM 779 CG ASP A 131 33.183 13.810 -3.323 1.00 0.39 C ATOM 780 OD1 ASP A 131 34.188 13.614 -2.637 1.00 1.15 O ATOM 781 OD2 ASP A 131 32.311 14.622 -3.018 1.00 1.08 O ATOM 0 H ASP A 131 31.822 11.579 -3.033 1.00 0.31 H new ATOM 0 HA ASP A 131 33.292 11.061 -5.448 1.00 0.41 H new ATOM 0 HB2 ASP A 131 33.650 13.443 -5.389 1.00 0.32 H new ATOM 0 HB3 ASP A 131 31.981 13.118 -4.965 1.00 0.32 H new ATOM 786 N GLY A 132 34.940 11.037 -2.716 1.00 0.76 N ATOM 787 CA GLY A 132 36.293 10.796 -2.227 1.00 1.00 C ATOM 788 C GLY A 132 37.186 12.032 -2.226 1.00 0.97 C ATOM 789 O GLY A 132 38.231 12.079 -2.889 1.00 1.15 O ATOM 0 H GLY A 132 34.201 11.060 -2.014 1.00 0.76 H new ATOM 0 HA2 GLY A 132 36.236 10.402 -1.212 1.00 1.00 H new ATOM 0 HA3 GLY A 132 36.758 10.026 -2.842 1.00 1.00 H new ATOM 793 N ASP A 133 36.753 12.999 -1.402 1.00 0.75 N ATOM 794 CA ASP A 133 37.523 14.232 -1.225 1.00 0.73 C ATOM 795 C ASP A 133 38.004 14.457 0.224 1.00 0.44 C ATOM 796 O ASP A 133 38.874 15.284 0.508 1.00 0.36 O ATOM 797 CB ASP A 133 36.709 15.429 -1.799 1.00 0.86 C ATOM 798 CG ASP A 133 35.584 15.820 -0.858 1.00 1.64 C ATOM 799 OD1 ASP A 133 35.358 15.091 0.092 1.00 2.01 O ATOM 800 OD2 ASP A 133 34.949 16.848 -1.087 1.00 2.49 O ATOM 0 H ASP A 133 35.891 12.951 -0.859 1.00 0.75 H new ATOM 0 HA ASP A 133 38.450 14.141 -1.791 1.00 0.73 H new ATOM 0 HB2 ASP A 133 37.370 16.281 -1.956 1.00 0.86 H new ATOM 0 HB3 ASP A 133 36.298 15.161 -2.772 1.00 0.86 H new ATOM 805 N GLY A 134 37.435 13.641 1.137 1.00 0.31 N ATOM 806 CA GLY A 134 37.709 13.800 2.565 1.00 0.06 C ATOM 807 C GLY A 134 36.792 14.747 3.337 1.00 0.07 C ATOM 808 O GLY A 134 37.176 15.263 4.389 1.00 0.14 O ATOM 0 H GLY A 134 36.795 12.881 0.908 1.00 0.31 H new ATOM 0 HA2 GLY A 134 37.656 12.817 3.033 1.00 0.06 H new ATOM 0 HA3 GLY A 134 38.735 14.152 2.678 1.00 0.06 H new ATOM 812 N GLN A 135 35.589 14.967 2.781 1.00 0.08 N ATOM 813 CA GLN A 135 34.584 15.922 3.261 1.00 0.14 C ATOM 814 C GLN A 135 33.224 15.464 2.776 1.00 0.15 C ATOM 815 O GLN A 135 33.124 14.601 1.913 1.00 0.19 O ATOM 816 CB GLN A 135 34.843 17.333 2.721 1.00 0.20 C ATOM 817 CG GLN A 135 36.073 18.002 3.331 1.00 0.36 C ATOM 818 CD GLN A 135 36.478 19.216 2.530 1.00 0.49 C ATOM 819 OE1 GLN A 135 36.694 20.304 3.052 1.00 0.61 O ATOM 820 NE2 GLN A 135 36.669 18.989 1.224 1.00 1.71 N ATOM 0 H GLN A 135 35.280 14.462 1.950 1.00 0.08 H new ATOM 0 HA GLN A 135 34.632 15.958 4.349 1.00 0.14 H new ATOM 0 HB2 GLN A 135 34.966 17.283 1.639 1.00 0.20 H new ATOM 0 HB3 GLN A 135 33.968 17.954 2.914 1.00 0.20 H new ATOM 0 HG2 GLN A 135 35.861 18.294 4.359 1.00 0.36 H new ATOM 0 HG3 GLN A 135 36.899 17.292 3.365 1.00 0.36 H new ATOM 0 HE21 GLN A 135 36.476 18.067 0.833 1.00 1.71 H new ATOM 0 HE22 GLN A 135 37.008 19.738 0.620 1.00 1.71 H new ATOM 829 N VAL A 136 32.213 16.045 3.419 1.00 0.20 N ATOM 830 CA VAL A 136 30.880 15.645 3.015 1.00 0.21 C ATOM 831 C VAL A 136 30.185 16.849 2.411 1.00 0.30 C ATOM 832 O VAL A 136 29.992 17.869 3.071 1.00 0.35 O ATOM 833 CB VAL A 136 30.128 15.127 4.247 1.00 0.14 C ATOM 834 CG1 VAL A 136 28.691 14.757 3.895 1.00 0.12 C ATOM 835 CG2 VAL A 136 30.892 14.008 4.967 1.00 0.09 C ATOM 0 H VAL A 136 32.282 16.739 4.163 1.00 0.20 H new ATOM 0 HA VAL A 136 30.912 14.848 2.272 1.00 0.21 H new ATOM 0 HB VAL A 136 30.069 15.940 4.971 1.00 0.14 H new ATOM 0 HG11 VAL A 136 28.180 14.393 4.786 1.00 0.12 H new ATOM 0 HG12 VAL A 136 28.172 15.636 3.513 1.00 0.12 H new ATOM 0 HG13 VAL A 136 28.692 13.977 3.133 1.00 0.12 H new ATOM 0 HG21 VAL A 136 30.319 13.675 5.832 1.00 0.09 H new ATOM 0 HG22 VAL A 136 31.039 13.171 4.285 1.00 0.09 H new ATOM 0 HG23 VAL A 136 31.861 14.383 5.296 1.00 0.09 H new ATOM 845 N ASN A 137 29.810 16.712 1.149 1.00 0.35 N ATOM 846 CA ASN A 137 29.105 17.854 0.562 1.00 0.46 C ATOM 847 C ASN A 137 27.617 17.645 0.400 1.00 0.46 C ATOM 848 O ASN A 137 27.038 16.590 0.604 1.00 0.77 O ATOM 849 CB ASN A 137 29.735 18.368 -0.757 1.00 0.55 C ATOM 850 CG ASN A 137 30.041 17.231 -1.703 1.00 1.43 C ATOM 851 OD1 ASN A 137 30.571 16.240 -1.303 1.00 1.43 O ATOM 852 ND2 ASN A 137 29.661 17.333 -2.968 1.00 2.45 N ATOM 0 H ASN A 137 29.961 15.900 0.550 1.00 0.35 H new ATOM 0 HA ASN A 137 29.234 18.638 1.308 1.00 0.46 H new ATOM 0 HB2 ASN A 137 29.053 19.070 -1.238 1.00 0.55 H new ATOM 0 HB3 ASN A 137 30.651 18.915 -0.535 1.00 0.55 H new ATOM 0 HD21 ASN A 137 29.821 16.559 -3.612 1.00 2.45 H new ATOM 0 HD22 ASN A 137 29.209 18.186 -3.297 1.00 2.45 H new ATOM 859 N TYR A 138 26.933 18.731 -0.015 1.00 0.42 N ATOM 860 CA TYR A 138 25.477 18.629 -0.243 1.00 0.38 C ATOM 861 C TYR A 138 25.085 17.691 -1.377 1.00 0.37 C ATOM 862 O TYR A 138 24.054 17.003 -1.389 1.00 0.31 O ATOM 863 CB TYR A 138 24.862 20.014 -0.508 1.00 0.43 C ATOM 864 CG TYR A 138 23.432 19.909 -1.012 1.00 0.33 C ATOM 865 CD1 TYR A 138 22.434 19.382 -0.167 1.00 1.03 C ATOM 866 CD2 TYR A 138 23.139 20.324 -2.329 1.00 0.99 C ATOM 867 CE1 TYR A 138 21.110 19.320 -0.620 1.00 0.86 C ATOM 868 CE2 TYR A 138 21.814 20.260 -2.789 1.00 1.16 C ATOM 869 CZ TYR A 138 20.814 19.797 -1.910 1.00 0.40 C ATOM 870 OH TYR A 138 19.487 19.848 -2.311 1.00 20.00 O ATOM 0 H TYR A 138 27.341 19.649 -0.192 1.00 0.42 H new ATOM 0 HA TYR A 138 25.080 18.202 0.678 1.00 0.38 H new ATOM 0 HB2 TYR A 138 24.882 20.602 0.409 1.00 0.43 H new ATOM 0 HB3 TYR A 138 25.468 20.547 -1.241 1.00 0.43 H new ATOM 0 HD1 TYR A 138 22.688 19.029 0.821 1.00 1.03 H new ATOM 0 HD2 TYR A 138 23.925 20.686 -2.975 1.00 0.99 H new ATOM 0 HE1 TYR A 138 20.331 18.914 0.009 1.00 0.86 H new ATOM 0 HE2 TYR A 138 21.566 20.560 -3.796 1.00 1.16 H new ATOM 0 HH TYR A 138 19.435 20.199 -3.224 1.00 20.00 H new ATOM 880 N GLU A 139 25.961 17.754 -2.386 1.00 0.47 N ATOM 881 CA GLU A 139 25.732 16.921 -3.566 1.00 0.48 C ATOM 882 C GLU A 139 25.737 15.477 -3.195 1.00 0.39 C ATOM 883 O GLU A 139 24.866 14.677 -3.530 1.00 0.35 O ATOM 884 CB GLU A 139 26.772 17.171 -4.668 1.00 0.52 C ATOM 885 CG GLU A 139 27.115 18.649 -4.900 1.00 1.36 C ATOM 886 CD GLU A 139 25.849 19.482 -4.819 1.00 1.39 C ATOM 887 OE1 GLU A 139 24.874 19.180 -5.515 1.00 2.90 O ATOM 888 OE2 GLU A 139 25.817 20.400 -4.007 1.00 0.77 O ATOM 0 H GLU A 139 26.794 18.342 -2.412 1.00 0.47 H new ATOM 0 HA GLU A 139 24.754 17.197 -3.961 1.00 0.48 H new ATOM 0 HB2 GLU A 139 27.687 16.635 -4.414 1.00 0.52 H new ATOM 0 HB3 GLU A 139 26.402 16.747 -5.601 1.00 0.52 H new ATOM 0 HG2 GLU A 139 27.834 18.988 -4.154 1.00 1.36 H new ATOM 0 HG3 GLU A 139 27.584 18.775 -5.876 1.00 1.36 H new ATOM 895 N GLU A 140 26.762 15.206 -2.391 1.00 0.40 N ATOM 896 CA GLU A 140 26.910 13.919 -1.749 1.00 0.34 C ATOM 897 C GLU A 140 25.830 13.590 -0.762 1.00 0.33 C ATOM 898 O GLU A 140 25.390 12.463 -0.664 1.00 0.31 O ATOM 899 CB GLU A 140 28.210 13.887 -1.039 1.00 0.37 C ATOM 900 CG GLU A 140 29.389 13.658 -1.965 1.00 1.00 C ATOM 901 CD GLU A 140 30.614 13.363 -1.107 1.00 1.49 C ATOM 902 OE1 GLU A 140 30.632 13.786 0.048 1.00 1.46 O ATOM 903 OE2 GLU A 140 31.530 12.712 -1.591 1.00 2.77 O ATOM 0 H GLU A 140 27.503 15.872 -2.173 1.00 0.40 H new ATOM 0 HA GLU A 140 26.847 13.175 -2.543 1.00 0.34 H new ATOM 0 HB2 GLU A 140 28.350 14.829 -0.508 1.00 0.37 H new ATOM 0 HB3 GLU A 140 28.187 13.098 -0.288 1.00 0.37 H new ATOM 0 HG2 GLU A 140 29.187 12.826 -2.640 1.00 1.00 H new ATOM 0 HG3 GLU A 140 29.562 14.537 -2.586 1.00 1.00 H new ATOM 910 N PHE A 141 25.297 14.618 -0.112 1.00 0.36 N ATOM 911 CA PHE A 141 24.140 14.383 0.751 1.00 0.36 C ATOM 912 C PHE A 141 22.996 13.747 -0.016 1.00 0.36 C ATOM 913 O PHE A 141 22.278 12.856 0.435 1.00 0.38 O ATOM 914 CB PHE A 141 23.682 15.707 1.354 1.00 0.37 C ATOM 915 CG PHE A 141 22.908 15.518 2.630 1.00 0.28 C ATOM 916 CD1 PHE A 141 21.533 15.191 2.598 1.00 0.13 C ATOM 917 CD2 PHE A 141 23.591 15.709 3.848 1.00 0.35 C ATOM 918 CE1 PHE A 141 20.825 15.089 3.809 1.00 0.04 C ATOM 919 CE2 PHE A 141 22.885 15.607 5.058 1.00 0.27 C ATOM 920 CZ PHE A 141 21.506 15.310 5.026 1.00 0.12 C ATOM 0 H PHE A 141 25.627 15.582 -0.159 1.00 0.36 H new ATOM 0 HA PHE A 141 24.437 13.695 1.542 1.00 0.36 H new ATOM 0 HB2 PHE A 141 24.552 16.334 1.549 1.00 0.37 H new ATOM 0 HB3 PHE A 141 23.062 16.237 0.631 1.00 0.37 H new ATOM 0 HD1 PHE A 141 21.033 15.022 1.656 1.00 0.13 H new ATOM 0 HD2 PHE A 141 24.648 15.932 3.851 1.00 0.35 H new ATOM 0 HE1 PHE A 141 19.773 14.845 3.808 1.00 0.04 H new ATOM 0 HE2 PHE A 141 23.391 15.754 6.001 1.00 0.27 H new ATOM 0 HZ PHE A 141 20.958 15.250 5.955 1.00 0.12 H new ATOM 930 N VAL A 142 22.838 14.270 -1.245 1.00 0.35 N ATOM 931 CA VAL A 142 21.919 13.643 -2.188 1.00 0.35 C ATOM 932 C VAL A 142 22.378 12.257 -2.606 1.00 0.34 C ATOM 933 O VAL A 142 21.594 11.318 -2.618 1.00 0.35 O ATOM 934 CB VAL A 142 21.716 14.583 -3.390 1.00 0.36 C ATOM 935 CG1 VAL A 142 20.784 14.038 -4.473 1.00 0.40 C ATOM 936 CG2 VAL A 142 21.242 15.954 -2.905 1.00 0.31 C ATOM 0 H VAL A 142 23.321 15.098 -1.593 1.00 0.35 H new ATOM 0 HA VAL A 142 20.958 13.489 -1.697 1.00 0.35 H new ATOM 0 HB VAL A 142 22.690 14.670 -3.872 1.00 0.36 H new ATOM 0 HG11 VAL A 142 20.699 14.766 -5.280 1.00 0.40 H new ATOM 0 HG12 VAL A 142 21.189 13.105 -4.866 1.00 0.40 H new ATOM 0 HG13 VAL A 142 19.798 13.854 -4.046 1.00 0.40 H new ATOM 0 HG21 VAL A 142 21.101 16.614 -3.761 1.00 0.31 H new ATOM 0 HG22 VAL A 142 20.298 15.845 -2.371 1.00 0.31 H new ATOM 0 HG23 VAL A 142 21.989 16.382 -2.237 1.00 0.31 H new ATOM 946 N GLN A 143 23.660 12.160 -2.941 1.00 0.31 N ATOM 947 CA GLN A 143 24.195 10.879 -3.392 1.00 0.27 C ATOM 948 C GLN A 143 24.024 9.736 -2.389 1.00 0.30 C ATOM 949 O GLN A 143 23.752 8.602 -2.767 1.00 0.31 O ATOM 950 CB GLN A 143 25.648 11.084 -3.824 1.00 0.25 C ATOM 951 CG GLN A 143 26.261 9.953 -4.647 1.00 0.22 C ATOM 952 CD GLN A 143 26.073 10.123 -6.147 1.00 0.40 C ATOM 953 OE1 GLN A 143 25.746 11.153 -6.729 1.00 0.82 O ATOM 954 NE2 GLN A 143 26.310 8.999 -6.820 1.00 1.57 N ATOM 0 H GLN A 143 24.331 12.927 -2.911 1.00 0.31 H new ATOM 0 HA GLN A 143 23.604 10.548 -4.246 1.00 0.27 H new ATOM 0 HB2 GLN A 143 25.709 12.005 -4.404 1.00 0.25 H new ATOM 0 HB3 GLN A 143 26.256 11.229 -2.931 1.00 0.25 H new ATOM 0 HG2 GLN A 143 27.327 9.891 -4.427 1.00 0.22 H new ATOM 0 HG3 GLN A 143 25.816 9.007 -4.338 1.00 0.22 H new ATOM 0 HE21 GLN A 143 26.581 8.152 -6.320 1.00 1.57 H new ATOM 0 HE22 GLN A 143 26.221 8.984 -7.836 1.00 1.57 H new ATOM 963 N MET A 144 24.105 10.097 -1.105 1.00 0.32 N ATOM 964 CA MET A 144 23.986 9.120 -0.031 1.00 0.34 C ATOM 965 C MET A 144 22.543 8.711 0.197 1.00 0.34 C ATOM 966 O MET A 144 22.166 7.545 0.261 1.00 0.38 O ATOM 967 CB MET A 144 24.608 9.699 1.240 1.00 0.33 C ATOM 968 CG MET A 144 24.416 8.812 2.472 1.00 0.35 C ATOM 969 SD MET A 144 25.112 9.510 3.975 1.00 0.27 S ATOM 970 CE MET A 144 24.631 11.224 3.713 1.00 0.79 C ATOM 0 H MET A 144 24.252 11.056 -0.790 1.00 0.32 H new ATOM 0 HA MET A 144 24.523 8.215 -0.315 1.00 0.34 H new ATOM 0 HB2 MET A 144 25.674 9.853 1.076 1.00 0.33 H new ATOM 0 HB3 MET A 144 24.171 10.678 1.435 1.00 0.33 H new ATOM 0 HG2 MET A 144 23.350 8.638 2.622 1.00 0.35 H new ATOM 0 HG3 MET A 144 24.875 7.841 2.286 1.00 0.35 H new ATOM 0 HE1 MET A 144 24.337 11.669 4.664 1.00 0.79 H new ATOM 0 HE2 MET A 144 25.472 11.779 3.298 1.00 0.79 H new ATOM 0 HE3 MET A 144 23.792 11.264 3.019 1.00 0.79 H new ATOM 980 N MET A 145 21.684 9.738 0.283 1.00 0.31 N ATOM 981 CA MET A 145 20.280 9.398 0.519 1.00 0.31 C ATOM 982 C MET A 145 19.618 8.782 -0.704 1.00 0.35 C ATOM 983 O MET A 145 19.041 7.704 -0.700 1.00 0.36 O ATOM 984 CB MET A 145 19.494 10.636 0.960 1.00 0.29 C ATOM 985 CG MET A 145 20.129 11.442 2.096 1.00 0.26 C ATOM 986 SD MET A 145 20.106 10.630 3.695 1.00 0.24 S ATOM 987 CE MET A 145 21.214 11.759 4.550 1.00 0.19 C ATOM 0 H MET A 145 21.911 10.729 0.201 1.00 0.31 H new ATOM 0 HA MET A 145 20.267 8.652 1.314 1.00 0.31 H new ATOM 0 HB2 MET A 145 19.367 11.291 0.098 1.00 0.29 H new ATOM 0 HB3 MET A 145 18.498 10.322 1.272 1.00 0.29 H new ATOM 0 HG2 MET A 145 21.163 11.665 1.832 1.00 0.26 H new ATOM 0 HG3 MET A 145 19.609 12.396 2.181 1.00 0.26 H new ATOM 0 HE1 MET A 145 21.794 11.208 5.291 1.00 0.19 H new ATOM 0 HE2 MET A 145 21.890 12.221 3.830 1.00 0.19 H new ATOM 0 HE3 MET A 145 20.631 12.533 5.049 1.00 0.19 H new ATOM 997 N THR A 146 19.700 9.582 -1.769 1.00 0.40 N ATOM 998 CA THR A 146 19.152 9.167 -3.055 1.00 0.46 C ATOM 999 C THR A 146 19.793 7.901 -3.588 1.00 0.56 C ATOM 1000 O THR A 146 19.116 6.928 -3.889 1.00 0.82 O ATOM 1001 CB THR A 146 19.317 10.304 -4.067 1.00 0.40 C ATOM 1002 OG1 THR A 146 18.854 11.543 -3.507 1.00 0.52 O ATOM 1003 CG2 THR A 146 18.677 10.044 -5.433 1.00 0.42 C ATOM 0 H THR A 146 20.134 10.505 -1.765 1.00 0.40 H new ATOM 0 HA THR A 146 18.096 8.943 -2.903 1.00 0.46 H new ATOM 0 HB THR A 146 20.387 10.367 -4.267 1.00 0.40 H new ATOM 0 HG1 THR A 146 19.580 11.966 -3.003 1.00 0.52 H new ATOM 0 HG21 THR A 146 18.845 10.903 -6.083 1.00 0.42 H new ATOM 0 HG22 THR A 146 19.124 9.157 -5.881 1.00 0.42 H new ATOM 0 HG23 THR A 146 17.606 9.887 -5.309 1.00 0.42 H new ATOM 1011 N ALA A 147 21.125 7.966 -3.714 1.00 0.46 N ATOM 1012 CA ALA A 147 21.865 6.838 -4.279 1.00 0.53 C ATOM 1013 C ALA A 147 21.371 6.471 -5.673 1.00 0.74 C ATOM 1014 O ALA A 147 20.692 7.267 -6.331 1.00 1.28 O ATOM 1015 CB ALA A 147 21.865 5.647 -3.304 1.00 1.25 C ATOM 0 H ALA A 147 21.696 8.765 -3.440 1.00 0.46 H new ATOM 0 HA ALA A 147 22.903 7.142 -4.410 1.00 0.53 H new ATOM 0 HB1 ALA A 147 22.420 4.818 -3.742 1.00 1.25 H new ATOM 0 HB2 ALA A 147 22.336 5.944 -2.367 1.00 1.25 H new ATOM 0 HB3 ALA A 147 20.839 5.335 -3.111 1.00 1.25 H new ATOM 1021 N LYS A 148 21.749 5.259 -6.113 1.00 0.73 N ATOM 1022 CA LYS A 148 21.269 4.742 -7.390 1.00 1.42 C ATOM 1023 C LYS A 148 21.512 3.244 -7.516 1.00 1.99 C ATOM 1024 O LYS A 148 22.116 2.667 -6.614 1.00 20.00 O ATOM 1025 CB LYS A 148 21.919 5.477 -8.571 1.00 1.41 C ATOM 1026 CG LYS A 148 20.885 5.902 -9.619 1.00 1.57 C ATOM 1027 CD LYS A 148 20.473 7.374 -9.530 1.00 0.54 C ATOM 1028 CE LYS A 148 21.597 8.298 -10.003 1.00 1.53 C ATOM 1029 NZ LYS A 148 21.176 9.703 -9.915 1.00 2.26 N ATOM 1030 OXT LYS A 148 21.107 2.656 -8.522 1.00 20.00 O ATOM 0 H LYS A 148 22.376 4.633 -5.607 1.00 0.73 H new ATOM 0 HA LYS A 148 20.194 4.920 -7.418 1.00 1.42 H new ATOM 0 HB2 LYS A 148 22.447 6.357 -8.204 1.00 1.41 H new ATOM 0 HB3 LYS A 148 22.663 4.830 -9.036 1.00 1.41 H new ATOM 0 HG2 LYS A 148 21.290 5.709 -10.612 1.00 1.57 H new ATOM 0 HG3 LYS A 148 19.997 5.280 -9.510 1.00 1.57 H new ATOM 0 HD2 LYS A 148 19.583 7.542 -10.136 1.00 0.54 H new ATOM 0 HD3 LYS A 148 20.208 7.618 -8.501 1.00 0.54 H new ATOM 0 HE2 LYS A 148 22.487 8.140 -9.394 1.00 1.53 H new ATOM 0 HE3 LYS A 148 21.867 8.056 -11.031 1.00 1.53 H new ATOM 0 HZ1 LYS A 148 21.949 10.318 -10.239 1.00 2.26 H new ATOM 0 HZ2 LYS A 148 20.340 9.853 -10.515 1.00 2.26 H new ATOM 0 HZ3 LYS A 148 20.941 9.934 -8.929 1.00 2.26 H new TER 1044 LYS A 148 HETATM 1045 CA CA A 992 28.607 22.832 7.996 1.00 1.00 CA HETATM 1046 CA CA A 993 33.022 14.528 -0.555 1.00 1.00 CA HETATM 1047 F1 HLT A 150 20.868 7.067 5.988 1.00 0.00 F HETATM 1048 C2 HLT A 150 21.865 7.104 6.928 1.00 64.50 C HETATM 1049 F2 HLT A 150 21.410 6.552 8.098 1.00 0.00 F HETATM 1050 F3 HLT A 150 22.946 6.392 6.478 1.00 0.00 F HETATM 1051 C1 HLT A 150 22.279 8.555 7.176 1.00 63.73 C HETATM 1052 BR HLT A 150 22.895 9.276 5.667 1.00 0.00 BR HETATM 1053 CL HLT A 150 20.885 9.492 7.773 1.00 0.00 CL