USER MOD reduce.3.24.130724 H: found=0, std=0, add=439, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 441 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 101 SER OG : rot 48:sc= 1.25 USER MOD Set 1.2: A 135 GLN : amide:sc= -3.89! C(o=-2.6!,f=-4.4!) USER MOD Single : A 97 ASN : amide:sc= -0.184 X(o=-0.18,f=-0.63) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 HIS :FLIP no HE2:sc= -1.72 F(o=-3.9!,f=-1.7) USER MOD Single : A 109 MET CE :methyl -109:sc= -14.4! (180deg=-20.4!) USER MOD Single : A 110 THR OG1 : rot 139:sc= 1.14 USER MOD Single : A 111 ASN : amide:sc= -9.43! C(o=-9.4!,f=-24!) USER MOD Single : A 115 LYS NZ :NH3+ 153:sc= -0.299 (180deg=-1.77!) USER MOD Single : A 117 THR OG1 : rot -164:sc= -3.62! USER MOD Single : A 124 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 137 ASN :FLIP amide:sc= -1.15 F(o=-7.7!,f=-1.2) USER MOD Single : A 138 TYR OH : rot -65:sc= -1.74! USER MOD Single : A 143 GLN : amide:sc= -0.48 X(o=-0.48,f=0) USER MOD Single : A 144 MET CE :methyl 145:sc= -7.16! (180deg=-10.5!) USER MOD Single : A 145 MET CE :methyl -177:sc= -7.08! (180deg=-7.18!) USER MOD Single : A 146 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 91 N GLU A 82 -6.934 -1.998 -8.190 1.00 0.00 N ATOM 92 CA GLU A 82 -6.557 -1.807 -6.762 1.00 0.00 C ATOM 93 C GLU A 82 -7.814 -1.874 -5.893 1.00 0.00 C ATOM 94 O GLU A 82 -7.751 -1.738 -4.691 1.00 0.00 O ATOM 95 CB GLU A 82 -5.871 -0.449 -6.572 1.00 0.00 C ATOM 96 CG GLU A 82 -4.833 -0.240 -7.677 1.00 0.00 C ATOM 97 CD GLU A 82 -4.510 1.251 -7.798 1.00 0.00 C ATOM 98 OE1 GLU A 82 -4.462 1.911 -6.773 1.00 0.00 O ATOM 99 OE2 GLU A 82 -4.316 1.706 -8.913 1.00 0.00 O ATOM 0 HA GLU A 82 -5.864 -2.595 -6.467 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -6.611 0.351 -6.598 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -5.390 -0.406 -5.595 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -3.927 -0.802 -7.451 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -5.214 -0.619 -8.625 1.00 0.00 H new ATOM 106 N GLU A 83 -8.957 -2.091 -6.490 1.00 0.00 N ATOM 107 CA GLU A 83 -10.211 -2.172 -5.687 1.00 0.00 C ATOM 108 C GLU A 83 -9.951 -3.000 -4.426 1.00 0.00 C ATOM 109 O GLU A 83 -10.593 -2.824 -3.410 1.00 0.00 O ATOM 110 CB GLU A 83 -11.309 -2.830 -6.519 1.00 0.00 C ATOM 111 CG GLU A 83 -10.994 -4.312 -6.666 1.00 0.00 C ATOM 112 CD GLU A 83 -12.121 -5.006 -7.434 1.00 0.00 C ATOM 113 OE1 GLU A 83 -13.174 -5.203 -6.852 1.00 0.00 O ATOM 114 OE2 GLU A 83 -11.911 -5.328 -8.591 1.00 0.00 O ATOM 0 H GLU A 83 -9.075 -2.215 -7.495 1.00 0.00 H new ATOM 0 HA GLU A 83 -10.530 -1.169 -5.403 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -12.278 -2.696 -6.038 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -11.372 -2.359 -7.500 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -10.049 -4.442 -7.193 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -10.877 -4.768 -5.683 1.00 0.00 H new ATOM 121 N GLU A 84 -9.007 -3.901 -4.486 1.00 0.00 N ATOM 122 CA GLU A 84 -8.695 -4.738 -3.295 1.00 0.00 C ATOM 123 C GLU A 84 -7.797 -3.947 -2.339 1.00 0.00 C ATOM 124 O GLU A 84 -8.094 -3.801 -1.171 1.00 0.00 O ATOM 125 CB GLU A 84 -7.970 -6.008 -3.746 1.00 0.00 C ATOM 126 CG GLU A 84 -8.238 -7.134 -2.746 1.00 0.00 C ATOM 127 CD GLU A 84 -9.356 -8.034 -3.276 1.00 0.00 C ATOM 128 OE1 GLU A 84 -10.338 -7.500 -3.764 1.00 0.00 O ATOM 129 OE2 GLU A 84 -9.210 -9.241 -3.184 1.00 0.00 O ATOM 0 H GLU A 84 -8.438 -4.093 -5.311 1.00 0.00 H new ATOM 0 HA GLU A 84 -9.619 -5.008 -2.784 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -8.311 -6.301 -4.739 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -6.899 -5.821 -3.820 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -7.331 -7.718 -2.588 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -8.520 -6.716 -1.780 1.00 0.00 H new ATOM 136 N ILE A 85 -6.700 -3.433 -2.830 1.00 0.00 N ATOM 137 CA ILE A 85 -5.784 -2.647 -1.952 1.00 0.00 C ATOM 138 C ILE A 85 -6.533 -1.448 -1.379 1.00 0.00 C ATOM 139 O ILE A 85 -6.683 -1.307 -0.183 1.00 0.00 O ATOM 140 CB ILE A 85 -4.602 -2.135 -2.773 1.00 0.00 C ATOM 141 CG1 ILE A 85 -3.902 -3.307 -3.455 1.00 0.00 C ATOM 142 CG2 ILE A 85 -3.613 -1.420 -1.852 1.00 0.00 C ATOM 143 CD1 ILE A 85 -4.158 -3.249 -4.960 1.00 0.00 C ATOM 0 H ILE A 85 -6.399 -3.523 -3.800 1.00 0.00 H new ATOM 0 HA ILE A 85 -5.428 -3.287 -1.145 1.00 0.00 H new ATOM 0 HB ILE A 85 -4.965 -1.440 -3.531 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -2.831 -3.270 -3.256 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -4.269 -4.250 -3.049 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -2.769 -1.055 -2.438 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -4.110 -0.579 -1.367 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -3.254 -2.116 -1.094 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -3.658 -4.086 -5.447 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -5.230 -3.307 -5.149 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -3.769 -2.312 -5.359 1.00 0.00 H new ATOM 155 N ARG A 86 -6.979 -0.574 -2.238 1.00 0.00 N ATOM 156 CA ARG A 86 -7.701 0.640 -1.789 1.00 0.00 C ATOM 157 C ARG A 86 -8.569 0.343 -0.567 1.00 0.00 C ATOM 158 O ARG A 86 -8.657 1.142 0.341 1.00 0.00 O ATOM 159 CB ARG A 86 -8.562 1.158 -2.942 1.00 0.00 C ATOM 160 CG ARG A 86 -8.432 2.676 -3.039 1.00 0.00 C ATOM 161 CD ARG A 86 -9.218 3.335 -1.904 1.00 0.00 C ATOM 162 NE ARG A 86 -9.937 4.529 -2.429 1.00 0.00 N ATOM 163 CZ ARG A 86 -10.234 5.517 -1.630 1.00 0.00 C ATOM 164 NH1 ARG A 86 -9.291 6.117 -0.956 1.00 0.00 N ATOM 165 NH2 ARG A 86 -11.474 5.905 -1.505 1.00 0.00 N ATOM 0 H ARG A 86 -6.870 -0.655 -3.249 1.00 0.00 H new ATOM 0 HA ARG A 86 -6.976 1.400 -1.499 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -8.249 0.696 -3.878 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -9.604 0.882 -2.783 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -7.382 2.965 -2.983 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -8.807 3.022 -4.002 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -9.929 2.626 -1.480 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -8.542 3.628 -1.101 1.00 0.00 H new ATOM 0 HE ARG A 86 -10.198 4.574 -3.414 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -8.322 5.814 -1.054 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -9.523 6.889 -0.331 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -12.211 5.436 -2.032 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -11.706 6.677 -0.880 1.00 0.00 H new ATOM 179 N GLU A 87 -9.201 -0.795 -0.514 1.00 0.00 N ATOM 180 CA GLU A 87 -10.036 -1.102 0.678 1.00 0.00 C ATOM 181 C GLU A 87 -9.110 -1.310 1.878 1.00 0.00 C ATOM 182 O GLU A 87 -9.294 -0.722 2.924 1.00 0.00 O ATOM 183 CB GLU A 87 -10.856 -2.368 0.423 1.00 0.00 C ATOM 184 CG GLU A 87 -11.543 -2.798 1.717 1.00 0.00 C ATOM 185 CD GLU A 87 -12.951 -3.308 1.404 1.00 0.00 C ATOM 186 OE1 GLU A 87 -13.712 -2.563 0.808 1.00 0.00 O ATOM 187 OE2 GLU A 87 -13.245 -4.436 1.766 1.00 0.00 O ATOM 0 H GLU A 87 -9.177 -1.517 -1.234 1.00 0.00 H new ATOM 0 HA GLU A 87 -10.722 -0.279 0.878 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -11.600 -2.183 -0.352 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -10.209 -3.166 0.059 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -10.962 -3.580 2.207 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -11.595 -1.958 2.410 1.00 0.00 H new ATOM 194 N ALA A 88 -8.101 -2.126 1.724 1.00 0.00 N ATOM 195 CA ALA A 88 -7.142 -2.349 2.844 1.00 0.00 C ATOM 196 C ALA A 88 -6.076 -1.255 2.780 1.00 0.00 C ATOM 197 O ALA A 88 -4.918 -1.510 2.514 1.00 0.00 O ATOM 198 CB ALA A 88 -6.483 -3.720 2.690 1.00 0.00 C ATOM 0 H ALA A 88 -7.900 -2.648 0.871 1.00 0.00 H new ATOM 0 HA ALA A 88 -7.662 -2.315 3.801 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -5.782 -3.881 3.509 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -7.248 -4.496 2.709 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -5.948 -3.762 1.741 1.00 0.00 H new ATOM 204 N PHE A 89 -6.476 -0.035 3.004 1.00 0.00 N ATOM 205 CA PHE A 89 -5.527 1.110 2.942 1.00 0.00 C ATOM 206 C PHE A 89 -6.345 2.396 3.045 1.00 0.00 C ATOM 207 O PHE A 89 -5.870 3.415 3.505 1.00 0.00 O ATOM 208 CB PHE A 89 -4.782 1.085 1.600 1.00 0.00 C ATOM 209 CG PHE A 89 -3.339 1.493 1.795 1.00 0.00 C ATOM 210 CD1 PHE A 89 -2.602 0.985 2.870 1.00 0.00 C ATOM 211 CD2 PHE A 89 -2.735 2.381 0.893 1.00 0.00 C ATOM 212 CE1 PHE A 89 -1.262 1.361 3.042 1.00 0.00 C ATOM 213 CE2 PHE A 89 -1.397 2.757 1.068 1.00 0.00 C ATOM 214 CZ PHE A 89 -0.661 2.245 2.141 1.00 0.00 C ATOM 0 H PHE A 89 -7.437 0.221 3.231 1.00 0.00 H new ATOM 0 HA PHE A 89 -4.799 1.050 3.751 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -4.829 0.085 1.168 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -5.266 1.760 0.895 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -3.065 0.303 3.568 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -3.302 2.775 0.063 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -0.694 0.967 3.872 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -0.934 3.443 0.374 1.00 0.00 H new ATOM 0 HZ PHE A 89 0.372 2.532 2.274 1.00 0.00 H new ATOM 224 N ARG A 90 -7.586 2.346 2.632 1.00 0.00 N ATOM 225 CA ARG A 90 -8.451 3.540 2.716 1.00 0.00 C ATOM 226 C ARG A 90 -8.706 3.826 4.185 1.00 0.00 C ATOM 227 O ARG A 90 -8.986 4.936 4.585 1.00 0.00 O ATOM 228 CB ARG A 90 -9.780 3.252 2.007 1.00 0.00 C ATOM 229 CG ARG A 90 -10.570 2.198 2.791 1.00 0.00 C ATOM 230 CD ARG A 90 -12.054 2.308 2.438 1.00 0.00 C ATOM 231 NE ARG A 90 -12.212 2.382 0.960 1.00 0.00 N ATOM 232 CZ ARG A 90 -13.336 2.018 0.405 1.00 0.00 C ATOM 233 NH1 ARG A 90 -13.866 0.864 0.700 1.00 0.00 N ATOM 234 NH2 ARG A 90 -13.932 2.812 -0.443 1.00 0.00 N ATOM 0 H ARG A 90 -8.032 1.518 2.238 1.00 0.00 H new ATOM 0 HA ARG A 90 -7.975 4.397 2.240 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -10.364 4.169 1.923 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -9.593 2.899 0.993 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -10.201 1.200 2.553 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -10.428 2.343 3.862 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -12.596 1.447 2.829 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -12.484 3.194 2.905 1.00 0.00 H new ATOM 0 HE ARG A 90 -11.442 2.717 0.381 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -13.402 0.245 1.365 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -14.744 0.580 0.266 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -13.519 3.716 -0.672 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -14.810 2.528 -0.877 1.00 0.00 H new ATOM 248 N VAL A 91 -8.610 2.809 4.986 1.00 0.00 N ATOM 249 CA VAL A 91 -8.845 2.971 6.438 1.00 0.00 C ATOM 250 C VAL A 91 -8.051 4.168 6.962 1.00 0.00 C ATOM 251 O VAL A 91 -8.365 4.728 7.994 1.00 0.00 O ATOM 252 CB VAL A 91 -8.394 1.702 7.163 1.00 0.00 C ATOM 253 CG1 VAL A 91 -8.522 1.902 8.673 1.00 0.00 C ATOM 254 CG2 VAL A 91 -9.274 0.529 6.723 1.00 0.00 C ATOM 0 H VAL A 91 -8.376 1.861 4.691 1.00 0.00 H new ATOM 0 HA VAL A 91 -9.907 3.142 6.617 1.00 0.00 H new ATOM 0 HB VAL A 91 -7.354 1.490 6.916 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -8.200 0.997 9.188 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -7.896 2.738 8.984 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -9.561 2.113 8.925 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -8.956 -0.378 7.238 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -10.314 0.741 6.971 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -9.180 0.387 5.646 1.00 0.00 H new ATOM 264 N PHE A 92 -7.016 4.556 6.270 1.00 0.00 N ATOM 265 CA PHE A 92 -6.195 5.704 6.741 1.00 0.00 C ATOM 266 C PHE A 92 -6.449 6.936 5.867 1.00 0.00 C ATOM 267 O PHE A 92 -6.851 7.976 6.353 1.00 0.00 O ATOM 268 CB PHE A 92 -4.723 5.314 6.673 1.00 0.00 C ATOM 269 CG PHE A 92 -4.440 4.291 7.744 1.00 0.00 C ATOM 270 CD1 PHE A 92 -4.583 2.923 7.469 1.00 0.00 C ATOM 271 CD2 PHE A 92 -4.042 4.711 9.016 1.00 0.00 C ATOM 272 CE1 PHE A 92 -4.323 1.980 8.474 1.00 0.00 C ATOM 273 CE2 PHE A 92 -3.783 3.769 10.018 1.00 0.00 C ATOM 274 CZ PHE A 92 -3.922 2.403 9.745 1.00 0.00 C ATOM 0 H PHE A 92 -6.704 4.127 5.399 1.00 0.00 H new ATOM 0 HA PHE A 92 -6.468 5.950 7.767 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -4.486 4.907 5.690 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -4.093 6.192 6.814 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -4.892 2.597 6.487 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -3.934 5.765 9.226 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -4.433 0.926 8.266 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -3.476 4.095 11.001 1.00 0.00 H new ATOM 0 HZ PHE A 92 -3.719 1.675 10.517 1.00 0.00 H new ATOM 284 N ASP A 93 -6.213 6.842 4.585 1.00 0.00 N ATOM 285 CA ASP A 93 -6.438 8.018 3.702 1.00 0.00 C ATOM 286 C ASP A 93 -7.816 7.923 3.047 1.00 0.00 C ATOM 287 O ASP A 93 -7.963 8.149 1.862 1.00 0.00 O ATOM 288 CB ASP A 93 -5.360 8.054 2.617 1.00 0.00 C ATOM 289 CG ASP A 93 -4.220 8.975 3.058 1.00 0.00 C ATOM 290 OD1 ASP A 93 -4.468 10.161 3.206 1.00 0.00 O ATOM 291 OD2 ASP A 93 -3.121 8.480 3.240 1.00 0.00 O ATOM 0 H ASP A 93 -5.875 6.003 4.114 1.00 0.00 H new ATOM 0 HA ASP A 93 -6.388 8.928 4.299 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -4.979 7.049 2.434 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -5.786 8.409 1.678 1.00 0.00 H new ATOM 337 N ASN A 97 -5.847 11.869 1.257 1.00 0.00 N ATOM 338 CA ASN A 97 -5.128 12.270 0.010 1.00 0.00 C ATOM 339 C ASN A 97 -4.898 11.056 -0.891 1.00 0.00 C ATOM 340 O ASN A 97 -4.988 11.145 -2.100 1.00 0.00 O ATOM 341 CB ASN A 97 -3.777 12.882 0.384 1.00 0.00 C ATOM 342 CG ASN A 97 -3.633 14.248 -0.291 1.00 0.00 C ATOM 343 OD1 ASN A 97 -4.573 15.016 -0.340 1.00 0.00 O ATOM 344 ND2 ASN A 97 -2.487 14.585 -0.817 1.00 0.00 N ATOM 0 HA ASN A 97 -5.735 12.998 -0.528 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -3.701 12.989 1.466 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -2.968 12.222 0.071 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -2.381 15.493 -1.269 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -1.698 13.940 -0.776 1.00 0.00 H new ATOM 351 N GLY A 98 -4.583 9.931 -0.321 1.00 0.00 N ATOM 352 CA GLY A 98 -4.326 8.723 -1.151 1.00 0.00 C ATOM 353 C GLY A 98 -2.982 8.136 -0.735 1.00 0.00 C ATOM 354 O GLY A 98 -2.772 6.942 -0.774 1.00 0.00 O ATOM 0 H GLY A 98 -4.492 9.794 0.686 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -5.120 7.990 -1.011 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -4.316 8.984 -2.209 1.00 0.00 H new ATOM 358 N TYR A 99 -2.071 8.972 -0.322 1.00 0.00 N ATOM 359 CA TYR A 99 -0.746 8.469 0.116 1.00 0.00 C ATOM 360 C TYR A 99 -0.697 8.500 1.646 1.00 0.00 C ATOM 361 O TYR A 99 -0.843 9.538 2.261 1.00 0.00 O ATOM 362 CB TYR A 99 0.358 9.358 -0.478 1.00 0.00 C ATOM 363 CG TYR A 99 0.615 10.545 0.420 1.00 0.00 C ATOM 364 CD1 TYR A 99 1.505 10.420 1.491 1.00 0.00 C ATOM 365 CD2 TYR A 99 -0.037 11.764 0.186 1.00 0.00 C ATOM 366 CE1 TYR A 99 1.748 11.513 2.331 1.00 0.00 C ATOM 367 CE2 TYR A 99 0.206 12.857 1.026 1.00 0.00 C ATOM 368 CZ TYR A 99 1.099 12.731 2.098 1.00 0.00 C ATOM 369 OH TYR A 99 1.338 13.810 2.926 1.00 0.00 O ATOM 0 H TYR A 99 -2.190 9.984 -0.270 1.00 0.00 H new ATOM 0 HA TYR A 99 -0.590 7.447 -0.230 1.00 0.00 H new ATOM 0 HB2 TYR A 99 1.274 8.780 -0.599 1.00 0.00 H new ATOM 0 HB3 TYR A 99 0.064 9.701 -1.470 1.00 0.00 H new ATOM 0 HD1 TYR A 99 2.005 9.480 1.670 1.00 0.00 H new ATOM 0 HD2 TYR A 99 -0.725 11.859 -0.641 1.00 0.00 H new ATOM 0 HE1 TYR A 99 2.436 11.417 3.158 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -0.295 13.797 0.848 1.00 0.00 H new ATOM 0 HH TYR A 99 0.809 14.577 2.624 1.00 0.00 H new ATOM 379 N ILE A 100 -0.503 7.375 2.265 1.00 0.00 N ATOM 380 CA ILE A 100 -0.453 7.361 3.750 1.00 0.00 C ATOM 381 C ILE A 100 1.002 7.445 4.215 1.00 0.00 C ATOM 382 O ILE A 100 1.534 8.519 4.415 1.00 0.00 O ATOM 383 CB ILE A 100 -1.105 6.088 4.305 1.00 0.00 C ATOM 384 CG1 ILE A 100 -1.392 5.077 3.186 1.00 0.00 C ATOM 385 CG2 ILE A 100 -2.420 6.461 4.990 1.00 0.00 C ATOM 386 CD1 ILE A 100 -2.191 3.911 3.759 1.00 0.00 C ATOM 0 H ILE A 100 -0.377 6.470 1.812 1.00 0.00 H new ATOM 0 HA ILE A 100 -1.007 8.222 4.125 1.00 0.00 H new ATOM 0 HB ILE A 100 -0.417 5.629 5.015 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -1.950 5.555 2.381 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -0.457 4.717 2.756 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -2.891 5.562 5.388 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -2.221 7.157 5.805 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -3.087 6.930 4.267 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -2.398 3.189 2.969 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -1.615 3.429 4.549 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -3.131 4.281 4.169 1.00 0.00 H new ATOM 398 N SER A 101 1.656 6.328 4.397 1.00 0.00 N ATOM 399 CA SER A 101 3.071 6.372 4.856 1.00 0.00 C ATOM 400 C SER A 101 3.557 4.957 5.177 1.00 0.00 C ATOM 401 O SER A 101 2.929 3.978 4.824 1.00 0.00 O ATOM 402 CB SER A 101 3.154 7.231 6.114 1.00 0.00 C ATOM 403 OG SER A 101 3.643 8.521 5.773 1.00 0.00 O ATOM 0 H SER A 101 1.273 5.394 4.248 1.00 0.00 H new ATOM 0 HA SER A 101 3.697 6.795 4.071 1.00 0.00 H new ATOM 0 HB2 SER A 101 2.171 7.313 6.577 1.00 0.00 H new ATOM 0 HB3 SER A 101 3.812 6.762 6.845 1.00 0.00 H new ATOM 0 HG SER A 101 3.154 8.861 4.994 1.00 0.00 H new ATOM 409 N ALA A 102 4.672 4.845 5.847 1.00 0.00 N ATOM 410 CA ALA A 102 5.200 3.497 6.197 1.00 0.00 C ATOM 411 C ALA A 102 4.475 2.975 7.438 1.00 0.00 C ATOM 412 O ALA A 102 4.168 1.805 7.542 1.00 0.00 O ATOM 413 CB ALA A 102 6.700 3.597 6.486 1.00 0.00 C ATOM 0 H ALA A 102 5.240 5.630 6.167 1.00 0.00 H new ATOM 0 HA ALA A 102 5.036 2.813 5.365 1.00 0.00 H new ATOM 0 HB1 ALA A 102 7.088 2.611 6.742 1.00 0.00 H new ATOM 0 HB2 ALA A 102 7.217 3.972 5.602 1.00 0.00 H new ATOM 0 HB3 ALA A 102 6.865 4.280 7.319 1.00 0.00 H new ATOM 419 N ALA A 103 4.194 3.834 8.380 1.00 0.00 N ATOM 420 CA ALA A 103 3.483 3.384 9.608 1.00 0.00 C ATOM 421 C ALA A 103 2.066 2.953 9.237 1.00 0.00 C ATOM 422 O ALA A 103 1.404 2.249 9.974 1.00 0.00 O ATOM 423 CB ALA A 103 3.417 4.533 10.614 1.00 0.00 C ATOM 0 H ALA A 103 4.426 4.827 8.351 1.00 0.00 H new ATOM 0 HA ALA A 103 4.019 2.546 10.053 1.00 0.00 H new ATOM 0 HB1 ALA A 103 2.896 4.201 11.512 1.00 0.00 H new ATOM 0 HB2 ALA A 103 4.428 4.846 10.876 1.00 0.00 H new ATOM 0 HB3 ALA A 103 2.880 5.373 10.173 1.00 0.00 H new ATOM 429 N GLU A 104 1.596 3.367 8.093 1.00 0.00 N ATOM 430 CA GLU A 104 0.225 2.979 7.668 1.00 0.00 C ATOM 431 C GLU A 104 0.290 1.628 6.962 1.00 0.00 C ATOM 432 O GLU A 104 -0.531 0.762 7.177 1.00 0.00 O ATOM 433 CB GLU A 104 -0.326 4.026 6.700 1.00 0.00 C ATOM 434 CG GLU A 104 -0.922 5.196 7.490 1.00 0.00 C ATOM 435 CD GLU A 104 0.027 5.594 8.623 1.00 0.00 C ATOM 436 OE1 GLU A 104 1.147 5.978 8.325 1.00 0.00 O ATOM 437 OE2 GLU A 104 -0.382 5.507 9.770 1.00 0.00 O ATOM 0 H GLU A 104 2.104 3.958 7.435 1.00 0.00 H new ATOM 0 HA GLU A 104 -0.426 2.914 8.540 1.00 0.00 H new ATOM 0 HB2 GLU A 104 0.469 4.384 6.045 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -1.088 3.580 6.062 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -1.089 6.046 6.828 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -1.892 4.914 7.898 1.00 0.00 H new ATOM 444 N LEU A 105 1.264 1.450 6.116 1.00 0.00 N ATOM 445 CA LEU A 105 1.401 0.167 5.384 1.00 0.00 C ATOM 446 C LEU A 105 1.697 -0.965 6.368 1.00 0.00 C ATOM 447 O LEU A 105 1.245 -2.076 6.203 1.00 0.00 O ATOM 448 CB LEU A 105 2.539 0.292 4.381 1.00 0.00 C ATOM 449 CG LEU A 105 2.065 -0.249 3.041 1.00 0.00 C ATOM 450 CD1 LEU A 105 2.243 0.817 1.959 1.00 0.00 C ATOM 451 CD2 LEU A 105 2.891 -1.489 2.686 1.00 0.00 C ATOM 0 H LEU A 105 1.977 2.147 5.900 1.00 0.00 H new ATOM 0 HA LEU A 105 0.472 -0.059 4.861 1.00 0.00 H new ATOM 0 HB2 LEU A 105 2.844 1.334 4.282 1.00 0.00 H new ATOM 0 HB3 LEU A 105 3.411 -0.264 4.727 1.00 0.00 H new ATOM 0 HG LEU A 105 1.010 -0.514 3.104 1.00 0.00 H new ATOM 0 HD11 LEU A 105 1.902 0.424 1.001 1.00 0.00 H new ATOM 0 HD12 LEU A 105 1.658 1.700 2.218 1.00 0.00 H new ATOM 0 HD13 LEU A 105 3.296 1.088 1.885 1.00 0.00 H new ATOM 0 HD21 LEU A 105 2.559 -1.885 1.726 1.00 0.00 H new ATOM 0 HD22 LEU A 105 3.945 -1.218 2.622 1.00 0.00 H new ATOM 0 HD23 LEU A 105 2.758 -2.248 3.457 1.00 0.00 H new ATOM 463 N ARG A 106 2.459 -0.699 7.386 1.00 0.00 N ATOM 464 CA ARG A 106 2.775 -1.771 8.368 1.00 0.00 C ATOM 465 C ARG A 106 1.485 -2.323 8.984 1.00 0.00 C ATOM 466 O ARG A 106 1.334 -3.514 9.167 1.00 0.00 O ATOM 467 CB ARG A 106 3.648 -1.193 9.481 1.00 0.00 C ATOM 468 CG ARG A 106 2.988 0.064 10.050 1.00 0.00 C ATOM 469 CD ARG A 106 2.079 -0.320 11.218 1.00 0.00 C ATOM 470 NE ARG A 106 2.585 0.311 12.469 1.00 0.00 N ATOM 471 CZ ARG A 106 1.766 0.965 13.247 1.00 0.00 C ATOM 472 NH1 ARG A 106 1.408 2.181 12.940 1.00 0.00 N ATOM 473 NH2 ARG A 106 1.307 0.402 14.330 1.00 0.00 N ATOM 0 H ARG A 106 2.877 0.211 7.582 1.00 0.00 H new ATOM 0 HA ARG A 106 3.301 -2.576 7.855 1.00 0.00 H new ATOM 0 HB2 ARG A 106 3.786 -1.932 10.270 1.00 0.00 H new ATOM 0 HB3 ARG A 106 4.638 -0.952 9.093 1.00 0.00 H new ATOM 0 HG2 ARG A 106 3.750 0.768 10.385 1.00 0.00 H new ATOM 0 HG3 ARG A 106 2.409 0.566 9.275 1.00 0.00 H new ATOM 0 HD2 ARG A 106 1.058 0.006 11.021 1.00 0.00 H new ATOM 0 HD3 ARG A 106 2.051 -1.404 11.330 1.00 0.00 H new ATOM 0 HE ARG A 106 3.571 0.232 12.718 1.00 0.00 H new ATOM 0 HH11 ARG A 106 1.768 2.620 12.093 1.00 0.00 H new ATOM 0 HH12 ARG A 106 0.768 2.693 13.547 1.00 0.00 H new ATOM 0 HH21 ARG A 106 1.588 -0.549 14.569 1.00 0.00 H new ATOM 0 HH22 ARG A 106 0.667 0.913 14.938 1.00 0.00 H new ATOM 487 N HIS A 107 0.571 -1.464 9.334 1.00 0.00 N ATOM 488 CA HIS A 107 -0.700 -1.929 9.976 1.00 0.00 C ATOM 489 C HIS A 107 -1.711 -2.445 8.941 1.00 0.00 C ATOM 490 O HIS A 107 -2.505 -3.316 9.233 1.00 0.00 O ATOM 491 CB HIS A 107 -1.333 -0.765 10.740 1.00 0.00 C ATOM 492 CG HIS A 107 -2.627 -1.221 11.358 1.00 0.00 C ATOM 493 ND1 HIS A 107 -3.795 -1.686 10.804 1.00 0.00 N flip ATOM 494 CD2 HIS A 107 -2.828 -1.229 12.728 1.00 0.00 C flip ATOM 495 CE1 HIS A 107 -4.707 -1.978 11.813 1.00 0.00 C flip ATOM 496 NE2 HIS A 107 -4.074 -1.686 12.953 1.00 0.00 N flip ATOM 0 H HIS A 107 0.645 -0.455 9.205 1.00 0.00 H new ATOM 0 HA HIS A 107 -0.451 -2.750 10.649 1.00 0.00 H new ATOM 0 HB2 HIS A 107 -0.652 -0.410 11.514 1.00 0.00 H new ATOM 0 HB3 HIS A 107 -1.514 0.072 10.066 1.00 0.00 H new ATOM 0 HD1 HIS A 107 -3.967 -1.800 9.805 1.00 0.00 H new ATOM 0 HD2 HIS A 107 -2.115 -0.924 13.479 1.00 0.00 H new ATOM 0 HE1 HIS A 107 -5.711 -2.359 11.699 1.00 0.00 H new ATOM 504 N VAL A 108 -1.720 -1.908 7.752 1.00 0.00 N ATOM 505 CA VAL A 108 -2.726 -2.377 6.744 1.00 0.00 C ATOM 506 C VAL A 108 -2.244 -3.634 6.030 1.00 0.00 C ATOM 507 O VAL A 108 -2.952 -4.609 5.966 1.00 0.00 O ATOM 508 CB VAL A 108 -3.016 -1.296 5.701 1.00 0.00 C ATOM 509 CG1 VAL A 108 -3.951 -0.254 6.303 1.00 0.00 C ATOM 510 CG2 VAL A 108 -1.719 -0.623 5.254 1.00 0.00 C ATOM 0 H VAL A 108 -1.086 -1.175 7.433 1.00 0.00 H new ATOM 0 HA VAL A 108 -3.641 -2.600 7.292 1.00 0.00 H new ATOM 0 HB VAL A 108 -3.486 -1.758 4.833 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -4.160 0.518 5.563 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -4.884 -0.732 6.602 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -3.479 0.198 7.175 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -1.944 0.143 4.512 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -1.232 -0.164 6.114 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -1.055 -1.368 4.816 1.00 0.00 H new ATOM 520 N MET A 109 -1.065 -3.631 5.479 1.00 0.00 N ATOM 521 CA MET A 109 -0.597 -4.853 4.780 1.00 0.00 C ATOM 522 C MET A 109 -0.403 -5.971 5.802 1.00 0.00 C ATOM 523 O MET A 109 -0.206 -7.119 5.455 1.00 0.00 O ATOM 524 CB MET A 109 0.714 -4.581 4.051 1.00 0.00 C ATOM 525 CG MET A 109 0.580 -5.107 2.625 1.00 0.00 C ATOM 526 SD MET A 109 2.095 -4.790 1.700 1.00 0.00 S ATOM 527 CE MET A 109 1.283 -4.304 0.159 1.00 0.00 C ATOM 0 H MET A 109 -0.414 -2.846 5.482 1.00 0.00 H new ATOM 0 HA MET A 109 -1.343 -5.153 4.044 1.00 0.00 H new ATOM 0 HB2 MET A 109 0.931 -3.513 4.044 1.00 0.00 H new ATOM 0 HB3 MET A 109 1.543 -5.072 4.562 1.00 0.00 H new ATOM 0 HG2 MET A 109 0.373 -6.177 2.642 1.00 0.00 H new ATOM 0 HG3 MET A 109 -0.264 -4.627 2.130 1.00 0.00 H new ATOM 0 HE1 MET A 109 1.430 -5.081 -0.591 1.00 0.00 H new ATOM 0 HE2 MET A 109 0.216 -4.169 0.337 1.00 0.00 H new ATOM 0 HE3 MET A 109 1.713 -3.369 -0.199 1.00 0.00 H new ATOM 537 N THR A 110 -0.468 -5.642 7.062 1.00 0.00 N ATOM 538 CA THR A 110 -0.300 -6.674 8.116 1.00 0.00 C ATOM 539 C THR A 110 -1.682 -7.089 8.632 1.00 0.00 C ATOM 540 O THR A 110 -1.970 -7.006 9.808 1.00 0.00 O ATOM 541 CB THR A 110 0.521 -6.090 9.262 1.00 0.00 C ATOM 542 OG1 THR A 110 1.864 -5.902 8.837 1.00 0.00 O ATOM 543 CG2 THR A 110 0.487 -7.048 10.444 1.00 0.00 C ATOM 0 H THR A 110 -0.631 -4.696 7.406 1.00 0.00 H new ATOM 0 HA THR A 110 0.214 -7.544 7.709 1.00 0.00 H new ATOM 0 HB THR A 110 0.101 -5.129 9.560 1.00 0.00 H new ATOM 0 HG1 THR A 110 2.199 -5.047 9.179 1.00 0.00 H new ATOM 0 HG21 THR A 110 1.073 -6.634 11.265 1.00 0.00 H new ATOM 0 HG22 THR A 110 -0.544 -7.189 10.769 1.00 0.00 H new ATOM 0 HG23 THR A 110 0.908 -8.008 10.146 1.00 0.00 H new ATOM 551 N ASN A 111 -2.538 -7.531 7.753 1.00 0.00 N ATOM 552 CA ASN A 111 -3.908 -7.956 8.173 1.00 0.00 C ATOM 553 C ASN A 111 -4.809 -8.020 6.939 1.00 0.00 C ATOM 554 O ASN A 111 -5.576 -8.946 6.773 1.00 0.00 O ATOM 555 CB ASN A 111 -4.498 -6.976 9.202 1.00 0.00 C ATOM 556 CG ASN A 111 -4.288 -5.529 8.751 1.00 0.00 C ATOM 557 OD1 ASN A 111 -3.296 -5.209 8.134 1.00 0.00 O ATOM 558 ND2 ASN A 111 -5.188 -4.630 9.043 1.00 0.00 N ATOM 0 H ASN A 111 -2.348 -7.618 6.755 1.00 0.00 H new ATOM 0 HA ASN A 111 -3.845 -8.938 8.641 1.00 0.00 H new ATOM 0 HB2 ASN A 111 -5.563 -7.172 9.330 1.00 0.00 H new ATOM 0 HB3 ASN A 111 -4.027 -7.132 10.172 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -5.055 -3.662 8.752 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -6.025 -4.896 9.562 1.00 0.00 H new ATOM 565 N LEU A 112 -4.721 -7.043 6.070 1.00 0.00 N ATOM 566 CA LEU A 112 -5.566 -7.057 4.838 1.00 0.00 C ATOM 567 C LEU A 112 -5.387 -8.387 4.093 1.00 0.00 C ATOM 568 O LEU A 112 -4.912 -9.355 4.649 1.00 0.00 O ATOM 569 CB LEU A 112 -5.186 -5.883 3.915 1.00 0.00 C ATOM 570 CG LEU A 112 -3.704 -5.897 3.455 1.00 0.00 C ATOM 571 CD1 LEU A 112 -2.826 -6.869 4.269 1.00 0.00 C ATOM 572 CD2 LEU A 112 -3.655 -6.292 1.977 1.00 0.00 C ATOM 0 H LEU A 112 -4.101 -6.238 6.161 1.00 0.00 H new ATOM 0 HA LEU A 112 -6.611 -6.950 5.130 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -5.829 -5.903 3.035 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -5.386 -4.946 4.435 1.00 0.00 H new ATOM 0 HG LEU A 112 -3.302 -4.897 3.616 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -1.802 -6.832 3.898 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -2.842 -6.581 5.320 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -3.213 -7.883 4.165 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -2.619 -6.306 1.638 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -4.092 -7.283 1.850 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -4.219 -5.569 1.388 1.00 0.00 H new ATOM 584 N GLY A 113 -5.743 -8.446 2.837 1.00 0.00 N ATOM 585 CA GLY A 113 -5.561 -9.723 2.086 1.00 0.00 C ATOM 586 C GLY A 113 -4.176 -10.281 2.411 1.00 0.00 C ATOM 587 O GLY A 113 -3.956 -11.476 2.425 1.00 0.00 O ATOM 0 H GLY A 113 -6.147 -7.676 2.304 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -6.333 -10.440 2.364 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -5.658 -9.550 1.014 1.00 0.00 H new ATOM 591 N GLU A 114 -3.247 -9.410 2.692 1.00 0.00 N ATOM 592 CA GLU A 114 -1.873 -9.855 3.044 1.00 0.00 C ATOM 593 C GLU A 114 -1.762 -9.944 4.569 1.00 0.00 C ATOM 594 O GLU A 114 -2.756 -9.992 5.262 1.00 0.00 O ATOM 595 CB GLU A 114 -0.858 -8.845 2.502 1.00 0.00 C ATOM 596 CG GLU A 114 -0.233 -9.403 1.226 1.00 0.00 C ATOM 597 CD GLU A 114 0.657 -10.599 1.569 1.00 0.00 C ATOM 598 OE1 GLU A 114 0.669 -10.992 2.723 1.00 0.00 O ATOM 599 OE2 GLU A 114 1.310 -11.103 0.669 1.00 0.00 O ATOM 0 H GLU A 114 -3.384 -8.399 2.692 1.00 0.00 H new ATOM 0 HA GLU A 114 -1.668 -10.832 2.605 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -1.348 -7.893 2.296 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -0.085 -8.652 3.246 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -1.014 -9.707 0.529 1.00 0.00 H new ATOM 0 HG3 GLU A 114 0.354 -8.631 0.729 1.00 0.00 H new ATOM 606 N LYS A 115 -0.567 -9.973 5.095 1.00 0.00 N ATOM 607 CA LYS A 115 -0.394 -10.070 6.573 1.00 0.00 C ATOM 608 C LYS A 115 1.040 -10.510 6.880 1.00 0.00 C ATOM 609 O LYS A 115 1.338 -11.686 6.920 1.00 0.00 O ATOM 610 CB LYS A 115 -1.369 -11.107 7.140 1.00 0.00 C ATOM 611 CG LYS A 115 -1.312 -12.381 6.292 1.00 0.00 C ATOM 612 CD LYS A 115 -2.475 -13.298 6.672 1.00 0.00 C ATOM 613 CE LYS A 115 -2.210 -14.704 6.133 1.00 0.00 C ATOM 614 NZ LYS A 115 -0.864 -15.160 6.581 1.00 0.00 N ATOM 0 H LYS A 115 0.301 -9.933 4.561 1.00 0.00 H new ATOM 0 HA LYS A 115 -0.593 -9.099 7.027 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -1.113 -11.335 8.175 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -2.382 -10.705 7.144 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -1.365 -12.129 5.233 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -0.363 -12.894 6.450 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -2.590 -13.328 7.755 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -3.408 -12.909 6.263 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -2.976 -15.392 6.489 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -2.262 -14.704 5.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -0.849 -16.199 6.633 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -0.145 -14.837 5.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -0.658 -14.763 7.520 1.00 0.00 H new ATOM 628 N LEU A 116 1.936 -9.582 7.092 1.00 0.00 N ATOM 629 CA LEU A 116 3.341 -9.968 7.388 1.00 0.00 C ATOM 630 C LEU A 116 3.775 -9.336 8.720 1.00 0.00 C ATOM 631 O LEU A 116 3.170 -9.569 9.746 1.00 0.00 O ATOM 632 CB LEU A 116 4.245 -9.489 6.247 1.00 0.00 C ATOM 633 CG LEU A 116 3.996 -8.002 5.980 1.00 0.00 C ATOM 634 CD1 LEU A 116 5.201 -7.407 5.249 1.00 0.00 C ATOM 635 CD2 LEU A 116 2.742 -7.839 5.115 1.00 0.00 C ATOM 0 H LEU A 116 1.754 -8.579 7.072 1.00 0.00 H new ATOM 0 HA LEU A 116 3.421 -11.052 7.473 1.00 0.00 H new ATOM 0 HB2 LEU A 116 5.291 -9.651 6.506 1.00 0.00 H new ATOM 0 HB3 LEU A 116 4.047 -10.068 5.345 1.00 0.00 H new ATOM 0 HG LEU A 116 3.852 -7.483 6.927 1.00 0.00 H new ATOM 0 HD11 LEU A 116 5.025 -6.348 5.058 1.00 0.00 H new ATOM 0 HD12 LEU A 116 6.093 -7.521 5.865 1.00 0.00 H new ATOM 0 HD13 LEU A 116 5.345 -7.927 4.302 1.00 0.00 H new ATOM 0 HD21 LEU A 116 2.566 -6.780 4.926 1.00 0.00 H new ATOM 0 HD22 LEU A 116 2.884 -8.358 4.167 1.00 0.00 H new ATOM 0 HD23 LEU A 116 1.883 -8.262 5.636 1.00 0.00 H new ATOM 647 N THR A 117 4.812 -8.539 8.718 1.00 0.00 N ATOM 648 CA THR A 117 5.266 -7.900 9.986 1.00 0.00 C ATOM 649 C THR A 117 5.572 -6.425 9.721 1.00 0.00 C ATOM 650 O THR A 117 5.570 -5.978 8.593 1.00 0.00 O ATOM 651 CB THR A 117 6.530 -8.600 10.494 1.00 0.00 C ATOM 652 OG1 THR A 117 7.451 -8.748 9.422 1.00 0.00 O ATOM 653 CG2 THR A 117 6.166 -9.976 11.053 1.00 0.00 C ATOM 0 H THR A 117 5.363 -8.304 7.893 1.00 0.00 H new ATOM 0 HA THR A 117 4.482 -7.986 10.739 1.00 0.00 H new ATOM 0 HB THR A 117 6.985 -8.001 11.283 1.00 0.00 H new ATOM 0 HG1 THR A 117 8.136 -9.405 9.667 1.00 0.00 H new ATOM 0 HG21 THR A 117 7.067 -10.472 11.414 1.00 0.00 H new ATOM 0 HG22 THR A 117 5.461 -9.859 11.876 1.00 0.00 H new ATOM 0 HG23 THR A 117 5.710 -10.579 10.268 1.00 0.00 H new ATOM 661 N ASP A 118 5.834 -5.664 10.748 1.00 0.00 N ATOM 662 CA ASP A 118 6.134 -4.218 10.539 1.00 0.00 C ATOM 663 C ASP A 118 7.545 -4.063 9.971 1.00 0.00 C ATOM 664 O ASP A 118 7.904 -3.024 9.456 1.00 0.00 O ATOM 665 CB ASP A 118 6.036 -3.477 11.874 1.00 0.00 C ATOM 666 CG ASP A 118 5.893 -1.976 11.616 1.00 0.00 C ATOM 667 OD1 ASP A 118 6.204 -1.550 10.516 1.00 0.00 O ATOM 668 OD2 ASP A 118 5.473 -1.277 12.524 1.00 0.00 O ATOM 0 H ASP A 118 5.854 -5.978 11.718 1.00 0.00 H new ATOM 0 HA ASP A 118 5.414 -3.798 9.837 1.00 0.00 H new ATOM 0 HB2 ASP A 118 5.181 -3.842 12.443 1.00 0.00 H new ATOM 0 HB3 ASP A 118 6.924 -3.670 12.475 1.00 0.00 H new ATOM 673 N GLU A 119 8.349 -5.087 10.054 1.00 0.00 N ATOM 674 CA GLU A 119 9.732 -4.985 9.509 1.00 0.00 C ATOM 675 C GLU A 119 9.723 -5.407 8.042 1.00 0.00 C ATOM 676 O GLU A 119 10.326 -4.773 7.198 1.00 0.00 O ATOM 677 CB GLU A 119 10.666 -5.901 10.302 1.00 0.00 C ATOM 678 CG GLU A 119 11.394 -5.085 11.371 1.00 0.00 C ATOM 679 CD GLU A 119 12.461 -5.955 12.039 1.00 0.00 C ATOM 680 OE1 GLU A 119 13.132 -6.685 11.328 1.00 0.00 O ATOM 681 OE2 GLU A 119 12.587 -5.879 13.250 1.00 0.00 O ATOM 0 H GLU A 119 8.110 -5.986 10.473 1.00 0.00 H new ATOM 0 HA GLU A 119 10.084 -3.957 9.593 1.00 0.00 H new ATOM 0 HB2 GLU A 119 10.095 -6.704 10.768 1.00 0.00 H new ATOM 0 HB3 GLU A 119 11.388 -6.370 9.633 1.00 0.00 H new ATOM 0 HG2 GLU A 119 11.856 -4.206 10.921 1.00 0.00 H new ATOM 0 HG3 GLU A 119 10.684 -4.726 12.116 1.00 0.00 H new ATOM 688 N GLU A 120 9.039 -6.470 7.729 1.00 0.00 N ATOM 689 CA GLU A 120 8.980 -6.927 6.315 1.00 0.00 C ATOM 690 C GLU A 120 8.237 -5.879 5.486 1.00 0.00 C ATOM 691 O GLU A 120 8.493 -5.700 4.312 1.00 0.00 O ATOM 692 CB GLU A 120 8.236 -8.263 6.246 1.00 0.00 C ATOM 693 CG GLU A 120 8.831 -9.232 7.270 1.00 0.00 C ATOM 694 CD GLU A 120 9.953 -10.040 6.617 1.00 0.00 C ATOM 695 OE1 GLU A 120 9.643 -10.918 5.829 1.00 0.00 O ATOM 696 OE2 GLU A 120 11.104 -9.770 6.918 1.00 0.00 O ATOM 0 H GLU A 120 8.517 -7.043 8.393 1.00 0.00 H new ATOM 0 HA GLU A 120 9.988 -7.057 5.922 1.00 0.00 H new ATOM 0 HB2 GLU A 120 7.175 -8.111 6.446 1.00 0.00 H new ATOM 0 HB3 GLU A 120 8.314 -8.684 5.243 1.00 0.00 H new ATOM 0 HG2 GLU A 120 9.217 -8.680 8.127 1.00 0.00 H new ATOM 0 HG3 GLU A 120 8.057 -9.902 7.645 1.00 0.00 H new ATOM 703 N VAL A 121 7.316 -5.184 6.098 1.00 0.00 N ATOM 704 CA VAL A 121 6.545 -4.140 5.358 1.00 0.00 C ATOM 705 C VAL A 121 7.324 -2.818 5.346 1.00 0.00 C ATOM 706 O VAL A 121 7.567 -2.246 4.302 1.00 0.00 O ATOM 707 CB VAL A 121 5.175 -3.929 6.020 1.00 0.00 C ATOM 708 CG1 VAL A 121 5.331 -3.661 7.519 1.00 0.00 C ATOM 709 CG2 VAL A 121 4.478 -2.733 5.367 1.00 0.00 C ATOM 0 H VAL A 121 7.063 -5.293 7.080 1.00 0.00 H new ATOM 0 HA VAL A 121 6.398 -4.475 4.331 1.00 0.00 H new ATOM 0 HB VAL A 121 4.581 -4.833 5.886 1.00 0.00 H new ATOM 0 HG11 VAL A 121 4.348 -3.515 7.967 1.00 0.00 H new ATOM 0 HG12 VAL A 121 5.822 -4.512 7.992 1.00 0.00 H new ATOM 0 HG13 VAL A 121 5.934 -2.765 7.668 1.00 0.00 H new ATOM 0 HG21 VAL A 121 3.505 -2.580 5.834 1.00 0.00 H new ATOM 0 HG22 VAL A 121 5.089 -1.840 5.499 1.00 0.00 H new ATOM 0 HG23 VAL A 121 4.343 -2.927 4.303 1.00 0.00 H new ATOM 719 N ASP A 122 7.713 -2.320 6.490 1.00 0.00 N ATOM 720 CA ASP A 122 8.468 -1.036 6.523 1.00 0.00 C ATOM 721 C ASP A 122 9.762 -1.174 5.717 1.00 0.00 C ATOM 722 O ASP A 122 10.302 -0.204 5.224 1.00 0.00 O ATOM 723 CB ASP A 122 8.807 -0.683 7.973 1.00 0.00 C ATOM 724 CG ASP A 122 9.352 0.745 8.034 1.00 0.00 C ATOM 725 OD1 ASP A 122 9.056 1.510 7.131 1.00 0.00 O ATOM 726 OD2 ASP A 122 10.055 1.049 8.984 1.00 0.00 O ATOM 0 H ASP A 122 7.540 -2.747 7.400 1.00 0.00 H new ATOM 0 HA ASP A 122 7.855 -0.247 6.087 1.00 0.00 H new ATOM 0 HB2 ASP A 122 7.918 -0.772 8.598 1.00 0.00 H new ATOM 0 HB3 ASP A 122 9.544 -1.383 8.366 1.00 0.00 H new ATOM 731 N GLU A 123 10.264 -2.371 5.581 1.00 0.00 N ATOM 732 CA GLU A 123 11.524 -2.565 4.808 1.00 0.00 C ATOM 733 C GLU A 123 11.197 -2.673 3.318 1.00 0.00 C ATOM 734 O GLU A 123 11.971 -2.269 2.473 1.00 0.00 O ATOM 735 CB GLU A 123 12.217 -3.847 5.272 1.00 0.00 C ATOM 736 CG GLU A 123 13.641 -3.885 4.713 1.00 0.00 C ATOM 737 CD GLU A 123 13.777 -5.059 3.739 1.00 0.00 C ATOM 738 OE1 GLU A 123 13.147 -5.013 2.696 1.00 0.00 O ATOM 739 OE2 GLU A 123 14.512 -5.980 4.054 1.00 0.00 O ATOM 0 H GLU A 123 9.857 -3.221 5.971 1.00 0.00 H new ATOM 0 HA GLU A 123 12.185 -1.715 4.974 1.00 0.00 H new ATOM 0 HB2 GLU A 123 12.241 -3.887 6.361 1.00 0.00 H new ATOM 0 HB3 GLU A 123 11.658 -4.719 4.933 1.00 0.00 H new ATOM 0 HG2 GLU A 123 13.868 -2.948 4.204 1.00 0.00 H new ATOM 0 HG3 GLU A 123 14.359 -3.988 5.526 1.00 0.00 H new ATOM 746 N MET A 124 10.057 -3.212 2.988 1.00 0.00 N ATOM 747 CA MET A 124 9.685 -3.344 1.552 1.00 0.00 C ATOM 748 C MET A 124 9.094 -2.025 1.054 1.00 0.00 C ATOM 749 O MET A 124 8.966 -1.802 -0.132 1.00 0.00 O ATOM 750 CB MET A 124 8.647 -4.457 1.392 1.00 0.00 C ATOM 751 CG MET A 124 9.116 -5.446 0.324 1.00 0.00 C ATOM 752 SD MET A 124 10.018 -6.803 1.113 1.00 0.00 S ATOM 753 CE MET A 124 11.553 -6.632 0.170 1.00 0.00 C ATOM 0 H MET A 124 9.367 -3.567 3.650 1.00 0.00 H new ATOM 0 HA MET A 124 10.574 -3.588 0.970 1.00 0.00 H new ATOM 0 HB2 MET A 124 8.503 -4.973 2.341 1.00 0.00 H new ATOM 0 HB3 MET A 124 7.684 -4.032 1.110 1.00 0.00 H new ATOM 0 HG2 MET A 124 8.260 -5.836 -0.227 1.00 0.00 H new ATOM 0 HG3 MET A 124 9.757 -4.941 -0.399 1.00 0.00 H new ATOM 0 HE1 MET A 124 12.268 -7.386 0.499 1.00 0.00 H new ATOM 0 HE2 MET A 124 11.345 -6.768 -0.891 1.00 0.00 H new ATOM 0 HE3 MET A 124 11.972 -5.639 0.334 1.00 0.00 H new ATOM 763 N ILE A 125 8.729 -1.149 1.950 1.00 0.00 N ATOM 764 CA ILE A 125 8.143 0.152 1.524 1.00 0.00 C ATOM 765 C ILE A 125 9.187 0.945 0.730 1.00 0.00 C ATOM 766 O ILE A 125 8.858 1.702 -0.161 1.00 0.00 O ATOM 767 CB ILE A 125 7.681 0.927 2.777 1.00 0.00 C ATOM 768 CG1 ILE A 125 6.168 1.122 2.708 1.00 0.00 C ATOM 769 CG2 ILE A 125 8.360 2.301 2.880 1.00 0.00 C ATOM 770 CD1 ILE A 125 5.537 0.630 4.012 1.00 0.00 C ATOM 0 H ILE A 125 8.812 -1.279 2.958 1.00 0.00 H new ATOM 0 HA ILE A 125 7.280 -0.010 0.879 1.00 0.00 H new ATOM 0 HB ILE A 125 7.959 0.347 3.657 1.00 0.00 H new ATOM 0 HG12 ILE A 125 5.932 2.174 2.550 1.00 0.00 H new ATOM 0 HG13 ILE A 125 5.757 0.573 1.861 1.00 0.00 H new ATOM 0 HG21 ILE A 125 8.008 2.815 3.775 1.00 0.00 H new ATOM 0 HG22 ILE A 125 9.440 2.169 2.938 1.00 0.00 H new ATOM 0 HG23 ILE A 125 8.114 2.895 2.000 1.00 0.00 H new ATOM 0 HD11 ILE A 125 4.457 0.767 3.968 1.00 0.00 H new ATOM 0 HD12 ILE A 125 5.763 -0.427 4.149 1.00 0.00 H new ATOM 0 HD13 ILE A 125 5.941 1.199 4.849 1.00 0.00 H new ATOM 782 N ARG A 126 10.442 0.778 1.042 1.00 0.00 N ATOM 783 CA ARG A 126 11.491 1.522 0.295 1.00 0.00 C ATOM 784 C ARG A 126 11.231 1.364 -1.204 1.00 0.00 C ATOM 785 O ARG A 126 11.641 2.176 -2.008 1.00 0.00 O ATOM 786 CB ARG A 126 12.865 0.951 0.646 1.00 0.00 C ATOM 787 CG ARG A 126 12.997 0.836 2.167 1.00 0.00 C ATOM 788 CD ARG A 126 14.477 0.764 2.547 1.00 0.00 C ATOM 789 NE ARG A 126 15.094 -0.436 1.914 1.00 0.00 N ATOM 790 CZ ARG A 126 16.348 -0.719 2.134 1.00 0.00 C ATOM 791 NH1 ARG A 126 16.953 -0.228 3.182 1.00 0.00 N ATOM 792 NH2 ARG A 126 16.997 -1.494 1.309 1.00 0.00 N ATOM 0 H ARG A 126 10.784 0.161 1.779 1.00 0.00 H new ATOM 0 HA ARG A 126 11.466 2.578 0.563 1.00 0.00 H new ATOM 0 HB2 ARG A 126 12.992 -0.028 0.184 1.00 0.00 H new ATOM 0 HB3 ARG A 126 13.650 1.595 0.250 1.00 0.00 H new ATOM 0 HG2 ARG A 126 12.528 1.694 2.649 1.00 0.00 H new ATOM 0 HG3 ARG A 126 12.476 -0.053 2.522 1.00 0.00 H new ATOM 0 HD2 ARG A 126 14.992 1.667 2.219 1.00 0.00 H new ATOM 0 HD3 ARG A 126 14.583 0.712 3.631 1.00 0.00 H new ATOM 0 HE ARG A 126 14.535 -1.037 1.308 1.00 0.00 H new ATOM 0 HH11 ARG A 126 16.445 0.376 3.828 1.00 0.00 H new ATOM 0 HH12 ARG A 126 17.934 -0.449 3.355 1.00 0.00 H new ATOM 0 HH21 ARG A 126 16.524 -1.879 0.492 1.00 0.00 H new ATOM 0 HH22 ARG A 126 17.978 -1.715 1.482 1.00 0.00 H new ATOM 806 N GLU A 127 10.548 0.317 -1.578 1.00 0.00 N ATOM 807 CA GLU A 127 10.249 0.088 -3.018 1.00 0.00 C ATOM 808 C GLU A 127 9.106 1.005 -3.463 1.00 0.00 C ATOM 809 O GLU A 127 9.142 1.576 -4.535 1.00 0.00 O ATOM 810 CB GLU A 127 9.833 -1.370 -3.216 1.00 0.00 C ATOM 811 CG GLU A 127 11.068 -2.269 -3.139 1.00 0.00 C ATOM 812 CD GLU A 127 12.106 -1.804 -4.162 1.00 0.00 C ATOM 813 OE1 GLU A 127 11.899 -2.049 -5.339 1.00 0.00 O ATOM 814 OE2 GLU A 127 13.089 -1.210 -3.751 1.00 0.00 O ATOM 0 H GLU A 127 10.183 -0.393 -0.943 1.00 0.00 H new ATOM 0 HA GLU A 127 11.136 0.306 -3.612 1.00 0.00 H new ATOM 0 HB2 GLU A 127 9.111 -1.660 -2.453 1.00 0.00 H new ATOM 0 HB3 GLU A 127 9.342 -1.491 -4.182 1.00 0.00 H new ATOM 0 HG2 GLU A 127 11.492 -2.236 -2.135 1.00 0.00 H new ATOM 0 HG3 GLU A 127 10.789 -3.305 -3.334 1.00 0.00 H new ATOM 821 N ALA A 128 8.086 1.148 -2.657 1.00 0.00 N ATOM 822 CA ALA A 128 6.947 2.023 -3.051 1.00 0.00 C ATOM 823 C ALA A 128 7.177 3.438 -2.519 1.00 0.00 C ATOM 824 O ALA A 128 7.411 4.365 -3.269 1.00 0.00 O ATOM 825 CB ALA A 128 5.651 1.462 -2.465 1.00 0.00 C ATOM 0 H ALA A 128 7.994 0.698 -1.746 1.00 0.00 H new ATOM 0 HA ALA A 128 6.873 2.055 -4.138 1.00 0.00 H new ATOM 0 HB1 ALA A 128 4.816 2.101 -2.752 1.00 0.00 H new ATOM 0 HB2 ALA A 128 5.485 0.455 -2.847 1.00 0.00 H new ATOM 0 HB3 ALA A 128 5.727 1.430 -1.378 1.00 0.00 H new ATOM 831 N ASP A 129 7.106 3.611 -1.229 1.00 0.00 N ATOM 832 CA ASP A 129 7.314 4.965 -0.645 1.00 0.00 C ATOM 833 C ASP A 129 8.801 5.328 -0.712 1.00 0.00 C ATOM 834 O ASP A 129 9.659 4.538 -0.375 1.00 0.00 O ATOM 835 CB ASP A 129 6.837 4.962 0.813 1.00 0.00 C ATOM 836 CG ASP A 129 7.459 6.138 1.573 1.00 0.00 C ATOM 837 OD1 ASP A 129 7.850 7.095 0.926 1.00 0.00 O ATOM 838 OD2 ASP A 129 7.535 6.057 2.787 1.00 0.00 O ATOM 0 H ASP A 129 6.913 2.872 -0.553 1.00 0.00 H new ATOM 0 HA ASP A 129 6.744 5.704 -1.209 1.00 0.00 H new ATOM 0 HB2 ASP A 129 5.750 5.031 0.848 1.00 0.00 H new ATOM 0 HB3 ASP A 129 7.113 4.023 1.292 1.00 0.00 H new ATOM 893 N GLY A 134 3.855 11.626 -2.093 1.00 0.00 N ATOM 894 CA GLY A 134 3.112 10.850 -1.060 1.00 0.00 C ATOM 895 C GLY A 134 3.883 9.558 -0.787 1.00 0.00 C ATOM 896 O GLY A 134 4.062 8.748 -1.671 1.00 0.00 O ATOM 0 HA2 GLY A 134 3.012 11.434 -0.145 1.00 0.00 H new ATOM 0 HA3 GLY A 134 2.103 10.625 -1.406 1.00 0.00 H new ATOM 900 N GLN A 135 4.351 9.372 0.423 1.00 0.00 N ATOM 901 CA GLN A 135 5.128 8.137 0.761 1.00 0.00 C ATOM 902 C GLN A 135 4.562 6.937 -0.007 1.00 0.00 C ATOM 903 O GLN A 135 4.920 6.690 -1.142 1.00 0.00 O ATOM 904 CB GLN A 135 5.025 7.877 2.266 1.00 0.00 C ATOM 905 CG GLN A 135 5.753 8.987 3.025 1.00 0.00 C ATOM 906 CD GLN A 135 6.923 8.390 3.806 1.00 0.00 C ATOM 907 OE1 GLN A 135 8.020 8.283 3.295 1.00 0.00 O ATOM 908 NE2 GLN A 135 6.734 7.995 5.034 1.00 0.00 N ATOM 0 H GLN A 135 4.228 10.026 1.196 1.00 0.00 H new ATOM 0 HA GLN A 135 6.172 8.277 0.481 1.00 0.00 H new ATOM 0 HB2 GLN A 135 3.979 7.840 2.569 1.00 0.00 H new ATOM 0 HB3 GLN A 135 5.462 6.908 2.509 1.00 0.00 H new ATOM 0 HG2 GLN A 135 6.116 9.742 2.327 1.00 0.00 H new ATOM 0 HG3 GLN A 135 5.065 9.487 3.706 1.00 0.00 H new ATOM 0 HE21 GLN A 135 5.813 8.085 5.463 1.00 0.00 H new ATOM 0 HE22 GLN A 135 7.507 7.596 5.566 1.00 0.00 H new ATOM 917 N VAL A 136 3.672 6.202 0.590 1.00 0.00 N ATOM 918 CA VAL A 136 3.072 5.037 -0.122 1.00 0.00 C ATOM 919 C VAL A 136 1.647 5.425 -0.506 1.00 0.00 C ATOM 920 O VAL A 136 0.896 5.904 0.314 1.00 0.00 O ATOM 921 CB VAL A 136 3.056 3.803 0.791 1.00 0.00 C ATOM 922 CG1 VAL A 136 3.996 2.745 0.215 1.00 0.00 C ATOM 923 CG2 VAL A 136 3.522 4.184 2.205 1.00 0.00 C ATOM 0 H VAL A 136 3.332 6.354 1.539 1.00 0.00 H new ATOM 0 HA VAL A 136 3.657 4.787 -1.007 1.00 0.00 H new ATOM 0 HB VAL A 136 2.041 3.410 0.847 1.00 0.00 H new ATOM 0 HG11 VAL A 136 3.991 1.865 0.858 1.00 0.00 H new ATOM 0 HG12 VAL A 136 3.662 2.467 -0.784 1.00 0.00 H new ATOM 0 HG13 VAL A 136 5.007 3.148 0.160 1.00 0.00 H new ATOM 0 HG21 VAL A 136 3.506 3.301 2.844 1.00 0.00 H new ATOM 0 HG22 VAL A 136 4.536 4.581 2.159 1.00 0.00 H new ATOM 0 HG23 VAL A 136 2.854 4.941 2.617 1.00 0.00 H new ATOM 933 N ASN A 137 1.271 5.279 -1.746 1.00 0.00 N ATOM 934 CA ASN A 137 -0.102 5.712 -2.129 1.00 0.00 C ATOM 935 C ASN A 137 -0.829 4.679 -2.992 1.00 0.00 C ATOM 936 O ASN A 137 -0.991 4.872 -4.175 1.00 0.00 O ATOM 937 CB ASN A 137 -0.005 7.020 -2.908 1.00 0.00 C ATOM 938 CG ASN A 137 1.203 6.981 -3.855 1.00 0.00 C ATOM 939 OD1 ASN A 137 1.583 5.841 -4.377 1.00 0.00 O flip ATOM 940 ND2 ASN A 137 1.810 7.998 -4.124 1.00 0.00 N flip ATOM 0 H ASN A 137 1.840 4.888 -2.496 1.00 0.00 H new ATOM 0 HA ASN A 137 -0.675 5.834 -1.210 1.00 0.00 H new ATOM 0 HB2 ASN A 137 -0.919 7.181 -3.479 1.00 0.00 H new ATOM 0 HB3 ASN A 137 0.091 7.858 -2.217 1.00 0.00 H new ATOM 0 HD21 ASN A 137 1.518 8.888 -3.720 1.00 0.00 H new ATOM 0 HD22 ASN A 137 2.612 7.962 -4.754 1.00 0.00 H new ATOM 947 N TYR A 138 -1.319 3.624 -2.398 1.00 0.00 N ATOM 948 CA TYR A 138 -2.100 2.608 -3.167 1.00 0.00 C ATOM 949 C TYR A 138 -1.386 2.209 -4.455 1.00 0.00 C ATOM 950 O TYR A 138 -0.712 1.200 -4.509 1.00 0.00 O ATOM 951 CB TYR A 138 -3.467 3.198 -3.506 1.00 0.00 C ATOM 952 CG TYR A 138 -4.156 3.589 -2.230 1.00 0.00 C ATOM 953 CD1 TYR A 138 -3.611 4.569 -1.392 1.00 0.00 C ATOM 954 CD2 TYR A 138 -5.339 2.958 -1.886 1.00 0.00 C ATOM 955 CE1 TYR A 138 -4.262 4.909 -0.201 1.00 0.00 C ATOM 956 CE2 TYR A 138 -5.995 3.295 -0.697 1.00 0.00 C ATOM 957 CZ TYR A 138 -5.455 4.271 0.147 1.00 0.00 C ATOM 958 OH TYR A 138 -6.100 4.605 1.320 1.00 0.00 O ATOM 0 H TYR A 138 -1.211 3.420 -1.404 1.00 0.00 H new ATOM 0 HA TYR A 138 -2.206 1.713 -2.554 1.00 0.00 H new ATOM 0 HB2 TYR A 138 -3.353 4.067 -4.155 1.00 0.00 H new ATOM 0 HB3 TYR A 138 -4.068 2.470 -4.051 1.00 0.00 H new ATOM 0 HD1 TYR A 138 -2.689 5.062 -1.664 1.00 0.00 H new ATOM 0 HD2 TYR A 138 -5.757 2.204 -2.537 1.00 0.00 H new ATOM 0 HE1 TYR A 138 -3.843 5.663 0.448 1.00 0.00 H new ATOM 0 HE2 TYR A 138 -6.918 2.802 -0.431 1.00 0.00 H new ATOM 0 HH TYR A 138 -5.541 4.352 2.084 1.00 0.00 H new ATOM 968 N GLU A 139 -1.555 2.973 -5.502 1.00 0.00 N ATOM 969 CA GLU A 139 -0.904 2.626 -6.792 1.00 0.00 C ATOM 970 C GLU A 139 0.509 2.107 -6.518 1.00 0.00 C ATOM 971 O GLU A 139 0.971 1.166 -7.132 1.00 0.00 O ATOM 972 CB GLU A 139 -0.824 3.863 -7.691 1.00 0.00 C ATOM 973 CG GLU A 139 -2.096 4.699 -7.540 1.00 0.00 C ATOM 974 CD GLU A 139 -2.471 5.310 -8.893 1.00 0.00 C ATOM 975 OE1 GLU A 139 -3.036 4.596 -9.706 1.00 0.00 O ATOM 976 OE2 GLU A 139 -2.187 6.479 -9.092 1.00 0.00 O ATOM 0 H GLU A 139 -2.118 3.824 -5.516 1.00 0.00 H new ATOM 0 HA GLU A 139 -1.492 1.858 -7.295 1.00 0.00 H new ATOM 0 HB2 GLU A 139 0.048 4.461 -7.425 1.00 0.00 H new ATOM 0 HB3 GLU A 139 -0.698 3.560 -8.731 1.00 0.00 H new ATOM 0 HG2 GLU A 139 -2.911 4.076 -7.172 1.00 0.00 H new ATOM 0 HG3 GLU A 139 -1.940 5.488 -6.804 1.00 0.00 H new ATOM 983 N GLU A 140 1.187 2.706 -5.578 1.00 0.00 N ATOM 984 CA GLU A 140 2.558 2.246 -5.232 1.00 0.00 C ATOM 985 C GLU A 140 2.443 1.195 -4.128 1.00 0.00 C ATOM 986 O GLU A 140 3.250 0.292 -4.014 1.00 0.00 O ATOM 987 CB GLU A 140 3.389 3.426 -4.725 1.00 0.00 C ATOM 988 CG GLU A 140 3.846 4.277 -5.910 1.00 0.00 C ATOM 989 CD GLU A 140 5.117 3.675 -6.512 1.00 0.00 C ATOM 990 OE1 GLU A 140 5.646 2.747 -5.923 1.00 0.00 O ATOM 991 OE2 GLU A 140 5.540 4.154 -7.551 1.00 0.00 O ATOM 0 H GLU A 140 0.847 3.498 -5.033 1.00 0.00 H new ATOM 0 HA GLU A 140 3.045 1.825 -6.112 1.00 0.00 H new ATOM 0 HB2 GLU A 140 2.799 4.030 -4.036 1.00 0.00 H new ATOM 0 HB3 GLU A 140 4.254 3.063 -4.170 1.00 0.00 H new ATOM 0 HG2 GLU A 140 3.060 4.321 -6.664 1.00 0.00 H new ATOM 0 HG3 GLU A 140 4.034 5.300 -5.585 1.00 0.00 H new ATOM 998 N PHE A 141 1.435 1.322 -3.309 1.00 0.00 N ATOM 999 CA PHE A 141 1.227 0.359 -2.191 1.00 0.00 C ATOM 1000 C PHE A 141 0.708 -0.979 -2.734 1.00 0.00 C ATOM 1001 O PHE A 141 0.480 -1.915 -1.994 1.00 0.00 O ATOM 1002 CB PHE A 141 0.200 0.958 -1.229 1.00 0.00 C ATOM 1003 CG PHE A 141 -0.218 -0.075 -0.218 1.00 0.00 C ATOM 1004 CD1 PHE A 141 0.739 -0.916 0.346 1.00 0.00 C ATOM 1005 CD2 PHE A 141 -1.559 -0.175 0.170 1.00 0.00 C ATOM 1006 CE1 PHE A 141 0.358 -1.866 1.294 1.00 0.00 C ATOM 1007 CE2 PHE A 141 -1.942 -1.121 1.125 1.00 0.00 C ATOM 1008 CZ PHE A 141 -0.982 -1.970 1.687 1.00 0.00 C ATOM 0 H PHE A 141 0.737 2.063 -3.368 1.00 0.00 H new ATOM 0 HA PHE A 141 2.171 0.179 -1.676 1.00 0.00 H new ATOM 0 HB2 PHE A 141 0.625 1.824 -0.722 1.00 0.00 H new ATOM 0 HB3 PHE A 141 -0.670 1.309 -1.784 1.00 0.00 H new ATOM 0 HD1 PHE A 141 1.774 -0.833 0.050 1.00 0.00 H new ATOM 0 HD2 PHE A 141 -2.298 0.479 -0.269 1.00 0.00 H new ATOM 0 HE1 PHE A 141 1.098 -2.523 1.726 1.00 0.00 H new ATOM 0 HE2 PHE A 141 -2.976 -1.197 1.428 1.00 0.00 H new ATOM 0 HZ PHE A 141 -1.274 -2.704 2.423 1.00 0.00 H new ATOM 1018 N VAL A 142 0.526 -1.081 -4.020 1.00 0.00 N ATOM 1019 CA VAL A 142 0.034 -2.354 -4.610 1.00 0.00 C ATOM 1020 C VAL A 142 1.228 -3.146 -5.151 1.00 0.00 C ATOM 1021 O VAL A 142 1.086 -4.254 -5.630 1.00 0.00 O ATOM 1022 CB VAL A 142 -0.926 -2.043 -5.759 1.00 0.00 C ATOM 1023 CG1 VAL A 142 -0.276 -1.037 -6.709 1.00 0.00 C ATOM 1024 CG2 VAL A 142 -1.241 -3.331 -6.522 1.00 0.00 C ATOM 0 H VAL A 142 0.698 -0.332 -4.691 1.00 0.00 H new ATOM 0 HA VAL A 142 -0.485 -2.937 -3.849 1.00 0.00 H new ATOM 0 HB VAL A 142 -1.848 -1.622 -5.358 1.00 0.00 H new ATOM 0 HG11 VAL A 142 -0.960 -0.815 -7.528 1.00 0.00 H new ATOM 0 HG12 VAL A 142 -0.049 -0.119 -6.167 1.00 0.00 H new ATOM 0 HG13 VAL A 142 0.646 -1.459 -7.110 1.00 0.00 H new ATOM 0 HG21 VAL A 142 -1.925 -3.110 -7.341 1.00 0.00 H new ATOM 0 HG22 VAL A 142 -0.319 -3.751 -6.923 1.00 0.00 H new ATOM 0 HG23 VAL A 142 -1.704 -4.050 -5.846 1.00 0.00 H new ATOM 1034 N GLN A 143 2.406 -2.578 -5.089 1.00 0.00 N ATOM 1035 CA GLN A 143 3.608 -3.287 -5.610 1.00 0.00 C ATOM 1036 C GLN A 143 4.248 -4.126 -4.501 1.00 0.00 C ATOM 1037 O GLN A 143 5.084 -4.970 -4.760 1.00 0.00 O ATOM 1038 CB GLN A 143 4.620 -2.259 -6.118 1.00 0.00 C ATOM 1039 CG GLN A 143 5.920 -2.968 -6.502 1.00 0.00 C ATOM 1040 CD GLN A 143 6.778 -2.031 -7.354 1.00 0.00 C ATOM 1041 OE1 GLN A 143 7.561 -2.479 -8.169 1.00 0.00 O ATOM 1042 NE2 GLN A 143 6.663 -0.741 -7.200 1.00 0.00 N ATOM 0 H GLN A 143 2.585 -1.653 -4.699 1.00 0.00 H new ATOM 0 HA GLN A 143 3.308 -3.946 -6.425 1.00 0.00 H new ATOM 0 HB2 GLN A 143 4.214 -1.729 -6.980 1.00 0.00 H new ATOM 0 HB3 GLN A 143 4.814 -1.513 -5.347 1.00 0.00 H new ATOM 0 HG2 GLN A 143 6.465 -3.263 -5.605 1.00 0.00 H new ATOM 0 HG3 GLN A 143 5.699 -3.881 -7.055 1.00 0.00 H new ATOM 0 HE21 GLN A 143 6.006 -0.366 -6.516 1.00 0.00 H new ATOM 0 HE22 GLN A 143 7.230 -0.108 -7.763 1.00 0.00 H new ATOM 1051 N MET A 144 3.865 -3.917 -3.270 1.00 0.00 N ATOM 1052 CA MET A 144 4.466 -4.729 -2.172 1.00 0.00 C ATOM 1053 C MET A 144 3.667 -6.019 -2.047 1.00 0.00 C ATOM 1054 O MET A 144 4.202 -7.086 -1.826 1.00 0.00 O ATOM 1055 CB MET A 144 4.418 -3.994 -0.823 1.00 0.00 C ATOM 1056 CG MET A 144 4.324 -2.482 -1.020 1.00 0.00 C ATOM 1057 SD MET A 144 5.762 -1.691 -0.265 1.00 0.00 S ATOM 1058 CE MET A 144 6.901 -1.981 -1.641 1.00 0.00 C ATOM 0 H MET A 144 3.171 -3.228 -2.979 1.00 0.00 H new ATOM 0 HA MET A 144 5.511 -4.920 -2.416 1.00 0.00 H new ATOM 0 HB2 MET A 144 3.561 -4.342 -0.247 1.00 0.00 H new ATOM 0 HB3 MET A 144 5.310 -4.233 -0.244 1.00 0.00 H new ATOM 0 HG2 MET A 144 4.280 -2.244 -2.083 1.00 0.00 H new ATOM 0 HG3 MET A 144 3.407 -2.101 -0.570 1.00 0.00 H new ATOM 0 HE1 MET A 144 7.586 -1.138 -1.730 1.00 0.00 H new ATOM 0 HE2 MET A 144 7.469 -2.893 -1.457 1.00 0.00 H new ATOM 0 HE3 MET A 144 6.334 -2.087 -2.566 1.00 0.00 H new ATOM 1068 N MET A 145 2.377 -5.915 -2.189 1.00 0.00 N ATOM 1069 CA MET A 145 1.511 -7.115 -2.083 1.00 0.00 C ATOM 1070 C MET A 145 1.709 -7.985 -3.321 1.00 0.00 C ATOM 1071 O MET A 145 1.653 -9.196 -3.256 1.00 0.00 O ATOM 1072 CB MET A 145 0.051 -6.673 -1.988 1.00 0.00 C ATOM 1073 CG MET A 145 -0.231 -5.586 -3.029 1.00 0.00 C ATOM 1074 SD MET A 145 -2.000 -5.582 -3.398 1.00 0.00 S ATOM 1075 CE MET A 145 -2.566 -5.096 -1.746 1.00 0.00 C ATOM 0 H MET A 145 1.883 -5.042 -2.375 1.00 0.00 H new ATOM 0 HA MET A 145 1.773 -7.687 -1.193 1.00 0.00 H new ATOM 0 HB2 MET A 145 -0.608 -7.526 -2.152 1.00 0.00 H new ATOM 0 HB3 MET A 145 -0.160 -6.295 -0.988 1.00 0.00 H new ATOM 0 HG2 MET A 145 0.078 -4.612 -2.651 1.00 0.00 H new ATOM 0 HG3 MET A 145 0.344 -5.773 -3.936 1.00 0.00 H new ATOM 0 HE1 MET A 145 -3.656 -5.081 -1.724 1.00 0.00 H new ATOM 0 HE2 MET A 145 -2.198 -5.811 -1.010 1.00 0.00 H new ATOM 0 HE3 MET A 145 -2.185 -4.103 -1.508 1.00 0.00 H new ATOM 1085 N THR A 146 1.954 -7.377 -4.451 1.00 0.00 N ATOM 1086 CA THR A 146 2.170 -8.180 -5.684 1.00 0.00 C ATOM 1087 C THR A 146 3.637 -8.585 -5.765 1.00 0.00 C ATOM 1088 O THR A 146 4.099 -9.108 -6.760 1.00 0.00 O ATOM 1089 CB THR A 146 1.788 -7.359 -6.918 1.00 0.00 C ATOM 1090 OG1 THR A 146 2.793 -6.387 -7.168 1.00 0.00 O ATOM 1091 CG2 THR A 146 0.450 -6.661 -6.673 1.00 0.00 C ATOM 0 H THR A 146 2.013 -6.366 -4.571 1.00 0.00 H new ATOM 0 HA THR A 146 1.545 -9.072 -5.651 1.00 0.00 H new ATOM 0 HB THR A 146 1.698 -8.019 -7.781 1.00 0.00 H new ATOM 0 HG1 THR A 146 2.550 -5.862 -7.959 1.00 0.00 H new ATOM 0 HG21 THR A 146 0.178 -6.076 -7.552 1.00 0.00 H new ATOM 0 HG22 THR A 146 -0.320 -7.408 -6.482 1.00 0.00 H new ATOM 0 HG23 THR A 146 0.537 -6.000 -5.810 1.00 0.00 H new