USER MOD reduce.3.24.130724 H: found=0, std=0, add=477, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 477 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 Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 ASN : amide:sc= -0.507 K(o=-0.51,f=-1.9!) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= 0.0286 USER MOD Single : A 107 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 109 MET CE :methyl 147:sc= -0.542 (180deg=-2.1) USER MOD Single : A 110 THR OG1 : rot 54:sc= 0.475 USER MOD Single : A 111 ASN : amide:sc= -8.13! C(o=-8.1!,f=-23!) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 THR OG1 : rot 180:sc= -0.2 USER MOD Single : A 124 MET CE :methyl -152:sc= -0.22 (180deg=-0.926) USER MOD Single : A 135 GLN :FLIP amide:sc= -5.99! C(o=-7!,f=-6!) USER MOD Single : A 137 ASN :FLIP amide:sc= -4.08 F(o=-6!,f=-4.1) USER MOD Single : A 138 TYR OH : rot 180:sc= -1.21 USER MOD Single : A 143 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 144 MET CE :methyl -154:sc= -1.93 (180deg=-3.71!) USER MOD Single : A 145 MET CE :methyl 148:sc= -3.19! (180deg=-4.02!) USER MOD Single : A 146 THR OG1 : rot 180:sc= 0.0501 USER MOD ----------------------------------------------------------------- ATOM 106 N GLU A 83 -15.769 -0.864 0.702 1.00 0.00 N ATOM 107 CA GLU A 83 -15.088 -0.372 1.928 1.00 0.00 C ATOM 108 C GLU A 83 -13.931 -1.312 2.269 1.00 0.00 C ATOM 109 O GLU A 83 -12.941 -0.910 2.848 1.00 0.00 O ATOM 110 CB GLU A 83 -16.082 -0.345 3.090 1.00 0.00 C ATOM 111 CG GLU A 83 -17.131 0.743 2.848 1.00 0.00 C ATOM 112 CD GLU A 83 -18.529 0.141 2.995 1.00 0.00 C ATOM 113 OE1 GLU A 83 -18.961 -0.038 4.122 1.00 0.00 O ATOM 114 OE2 GLU A 83 -19.146 -0.131 1.977 1.00 0.00 O ATOM 0 HA GLU A 83 -14.707 0.635 1.757 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -16.567 -1.316 3.188 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -15.557 -0.155 4.026 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -16.997 1.558 3.560 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -17.008 1.167 1.851 1.00 0.00 H new ATOM 121 N GLU A 84 -14.050 -2.564 1.919 1.00 0.00 N ATOM 122 CA GLU A 84 -12.956 -3.530 2.229 1.00 0.00 C ATOM 123 C GLU A 84 -11.601 -2.894 1.907 1.00 0.00 C ATOM 124 O GLU A 84 -10.614 -3.151 2.568 1.00 0.00 O ATOM 125 CB GLU A 84 -13.139 -4.794 1.387 1.00 0.00 C ATOM 126 CG GLU A 84 -13.356 -5.996 2.310 1.00 0.00 C ATOM 127 CD GLU A 84 -12.270 -7.042 2.050 1.00 0.00 C ATOM 128 OE1 GLU A 84 -11.104 -6.692 2.141 1.00 0.00 O ATOM 129 OE2 GLU A 84 -12.622 -8.174 1.764 1.00 0.00 O ATOM 0 H GLU A 84 -14.855 -2.960 1.433 1.00 0.00 H new ATOM 0 HA GLU A 84 -12.991 -3.789 3.287 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -13.991 -4.678 0.718 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -12.262 -4.957 0.761 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -13.327 -5.678 3.352 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -14.341 -6.428 2.136 1.00 0.00 H new ATOM 136 N ILE A 85 -11.542 -2.071 0.896 1.00 0.00 N ATOM 137 CA ILE A 85 -10.252 -1.430 0.533 1.00 0.00 C ATOM 138 C ILE A 85 -10.134 -0.071 1.221 1.00 0.00 C ATOM 139 O ILE A 85 -9.061 0.349 1.599 1.00 0.00 O ATOM 140 CB ILE A 85 -10.185 -1.234 -0.981 1.00 0.00 C ATOM 141 CG1 ILE A 85 -10.520 -2.546 -1.683 1.00 0.00 C ATOM 142 CG2 ILE A 85 -8.779 -0.788 -1.376 1.00 0.00 C ATOM 143 CD1 ILE A 85 -11.809 -2.378 -2.489 1.00 0.00 C ATOM 0 H ILE A 85 -12.334 -1.816 0.306 1.00 0.00 H new ATOM 0 HA ILE A 85 -9.433 -2.072 0.857 1.00 0.00 H new ATOM 0 HB ILE A 85 -10.905 -0.471 -1.279 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -9.702 -2.838 -2.342 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -10.638 -3.343 -0.949 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -8.732 -0.648 -2.456 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -8.542 0.152 -0.878 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -8.058 -1.549 -1.077 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -12.049 -3.315 -2.991 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -12.624 -2.106 -1.819 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -11.673 -1.593 -3.233 1.00 0.00 H new ATOM 155 N ARG A 86 -11.223 0.627 1.376 1.00 0.00 N ATOM 156 CA ARG A 86 -11.162 1.963 2.033 1.00 0.00 C ATOM 157 C ARG A 86 -10.361 1.861 3.332 1.00 0.00 C ATOM 158 O ARG A 86 -9.616 2.755 3.682 1.00 0.00 O ATOM 159 CB ARG A 86 -12.582 2.442 2.348 1.00 0.00 C ATOM 160 CG ARG A 86 -13.075 3.355 1.224 1.00 0.00 C ATOM 161 CD ARG A 86 -12.319 4.682 1.277 1.00 0.00 C ATOM 162 NE ARG A 86 -13.198 5.774 0.777 1.00 0.00 N ATOM 163 CZ ARG A 86 -14.001 6.392 1.599 1.00 0.00 C ATOM 164 NH1 ARG A 86 -14.465 5.768 2.647 1.00 0.00 N ATOM 165 NH2 ARG A 86 -14.337 7.633 1.377 1.00 0.00 N ATOM 0 H ARG A 86 -12.152 0.331 1.077 1.00 0.00 H new ATOM 0 HA ARG A 86 -10.677 2.673 1.363 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -13.250 1.587 2.456 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -12.594 2.977 3.297 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -12.921 2.875 0.257 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -14.146 3.530 1.326 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -12.004 4.893 2.299 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -11.415 4.622 0.671 1.00 0.00 H new ATOM 0 HE ARG A 86 -13.173 6.039 -0.208 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -14.200 4.799 2.822 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -15.093 6.249 3.291 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -13.972 8.122 0.560 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -14.965 8.114 2.021 1.00 0.00 H new ATOM 179 N GLU A 87 -10.508 0.784 4.053 1.00 0.00 N ATOM 180 CA GLU A 87 -9.754 0.638 5.330 1.00 0.00 C ATOM 181 C GLU A 87 -8.380 0.032 5.052 1.00 0.00 C ATOM 182 O GLU A 87 -7.371 0.563 5.464 1.00 0.00 O ATOM 183 CB GLU A 87 -10.536 -0.265 6.285 1.00 0.00 C ATOM 184 CG GLU A 87 -11.880 0.388 6.620 1.00 0.00 C ATOM 185 CD GLU A 87 -12.945 -0.695 6.800 1.00 0.00 C ATOM 186 OE1 GLU A 87 -13.156 -1.452 5.868 1.00 0.00 O ATOM 187 OE2 GLU A 87 -13.535 -0.747 7.868 1.00 0.00 O ATOM 0 H GLU A 87 -11.116 0.001 3.814 1.00 0.00 H new ATOM 0 HA GLU A 87 -9.624 1.619 5.787 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -10.698 -1.241 5.828 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -9.963 -0.431 7.197 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -11.791 0.980 7.531 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -12.173 1.071 5.823 1.00 0.00 H new ATOM 194 N ALA A 88 -8.323 -1.070 4.355 1.00 0.00 N ATOM 195 CA ALA A 88 -7.001 -1.686 4.059 1.00 0.00 C ATOM 196 C ALA A 88 -6.036 -0.598 3.589 1.00 0.00 C ATOM 197 O ALA A 88 -4.835 -0.722 3.720 1.00 0.00 O ATOM 198 CB ALA A 88 -7.160 -2.744 2.964 1.00 0.00 C ATOM 0 H ALA A 88 -9.131 -1.567 3.980 1.00 0.00 H new ATOM 0 HA ALA A 88 -6.607 -2.160 4.958 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -6.191 -3.194 2.749 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -7.851 -3.516 3.302 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -7.552 -2.277 2.061 1.00 0.00 H new ATOM 204 N PHE A 89 -6.555 0.472 3.049 1.00 0.00 N ATOM 205 CA PHE A 89 -5.677 1.570 2.578 1.00 0.00 C ATOM 206 C PHE A 89 -4.987 2.214 3.771 1.00 0.00 C ATOM 207 O PHE A 89 -3.778 2.298 3.831 1.00 0.00 O ATOM 208 CB PHE A 89 -6.506 2.633 1.859 1.00 0.00 C ATOM 209 CG PHE A 89 -5.608 3.797 1.534 1.00 0.00 C ATOM 210 CD1 PHE A 89 -4.656 3.669 0.520 1.00 0.00 C ATOM 211 CD2 PHE A 89 -5.714 4.994 2.249 1.00 0.00 C ATOM 212 CE1 PHE A 89 -3.808 4.737 0.214 1.00 0.00 C ATOM 213 CE2 PHE A 89 -4.865 6.066 1.947 1.00 0.00 C ATOM 214 CZ PHE A 89 -3.911 5.938 0.927 1.00 0.00 C ATOM 0 H PHE A 89 -7.554 0.629 2.915 1.00 0.00 H new ATOM 0 HA PHE A 89 -4.937 1.159 1.892 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -6.940 2.223 0.947 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -7.335 2.958 2.488 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -4.575 2.742 -0.029 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -6.450 5.092 3.033 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -3.074 4.636 -0.572 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -4.945 6.991 2.499 1.00 0.00 H new ATOM 0 HZ PHE A 89 -3.257 6.764 0.692 1.00 0.00 H new ATOM 224 N ARG A 90 -5.750 2.677 4.715 1.00 0.00 N ATOM 225 CA ARG A 90 -5.149 3.328 5.908 1.00 0.00 C ATOM 226 C ARG A 90 -4.300 2.306 6.668 1.00 0.00 C ATOM 227 O ARG A 90 -3.343 2.653 7.332 1.00 0.00 O ATOM 228 CB ARG A 90 -6.265 3.854 6.809 1.00 0.00 C ATOM 229 CG ARG A 90 -6.166 5.378 6.902 1.00 0.00 C ATOM 230 CD ARG A 90 -7.280 5.914 7.805 1.00 0.00 C ATOM 231 NE ARG A 90 -7.169 5.294 9.157 1.00 0.00 N ATOM 232 CZ ARG A 90 -7.684 5.897 10.194 1.00 0.00 C ATOM 233 NH1 ARG A 90 -8.678 6.730 10.039 1.00 0.00 N ATOM 234 NH2 ARG A 90 -7.207 5.665 11.386 1.00 0.00 N ATOM 0 H ARG A 90 -6.769 2.633 4.713 1.00 0.00 H new ATOM 0 HA ARG A 90 -4.516 4.159 5.599 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -7.237 3.565 6.409 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -6.185 3.412 7.802 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -5.193 5.665 7.300 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -6.247 5.819 5.908 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -7.208 6.999 7.884 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -8.254 5.690 7.370 1.00 0.00 H new ATOM 0 HE ARG A 90 -6.691 4.400 9.271 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -9.052 6.910 9.107 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -9.080 7.201 10.850 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -6.432 5.013 11.507 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -7.609 6.136 12.197 1.00 0.00 H new ATOM 248 N VAL A 91 -4.632 1.047 6.564 1.00 0.00 N ATOM 249 CA VAL A 91 -3.831 0.010 7.268 1.00 0.00 C ATOM 250 C VAL A 91 -2.359 0.236 6.934 1.00 0.00 C ATOM 251 O VAL A 91 -1.476 -0.059 7.715 1.00 0.00 O ATOM 252 CB VAL A 91 -4.267 -1.377 6.789 1.00 0.00 C ATOM 253 CG1 VAL A 91 -3.252 -2.422 7.244 1.00 0.00 C ATOM 254 CG2 VAL A 91 -5.639 -1.710 7.381 1.00 0.00 C ATOM 0 H VAL A 91 -5.422 0.695 6.023 1.00 0.00 H new ATOM 0 HA VAL A 91 -3.982 0.075 8.345 1.00 0.00 H new ATOM 0 HB VAL A 91 -4.326 -1.381 5.701 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -3.566 -3.408 6.901 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -2.274 -2.186 6.824 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -3.190 -2.419 8.332 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -5.952 -2.697 7.041 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -5.577 -1.703 8.469 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -6.366 -0.967 7.054 1.00 0.00 H new ATOM 264 N PHE A 92 -2.100 0.779 5.777 1.00 0.00 N ATOM 265 CA PHE A 92 -0.697 1.060 5.369 1.00 0.00 C ATOM 266 C PHE A 92 -0.418 2.548 5.584 1.00 0.00 C ATOM 267 O PHE A 92 0.667 2.942 5.962 1.00 0.00 O ATOM 268 CB PHE A 92 -0.524 0.720 3.888 1.00 0.00 C ATOM 269 CG PHE A 92 -0.442 -0.778 3.717 1.00 0.00 C ATOM 270 CD1 PHE A 92 -1.613 -1.535 3.579 1.00 0.00 C ATOM 271 CD2 PHE A 92 0.805 -1.412 3.694 1.00 0.00 C ATOM 272 CE1 PHE A 92 -1.535 -2.923 3.421 1.00 0.00 C ATOM 273 CE2 PHE A 92 0.884 -2.800 3.535 1.00 0.00 C ATOM 274 CZ PHE A 92 -0.286 -3.555 3.398 1.00 0.00 C ATOM 0 H PHE A 92 -2.808 1.042 5.091 1.00 0.00 H new ATOM 0 HA PHE A 92 -0.006 0.460 5.960 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -1.361 1.116 3.314 1.00 0.00 H new ATOM 0 HB3 PHE A 92 0.380 1.190 3.500 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -2.576 -1.047 3.595 1.00 0.00 H new ATOM 0 HD2 PHE A 92 1.708 -0.829 3.799 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -2.438 -3.507 3.317 1.00 0.00 H new ATOM 0 HE2 PHE A 92 1.847 -3.288 3.518 1.00 0.00 H new ATOM 0 HZ PHE A 92 -0.226 -4.626 3.274 1.00 0.00 H new ATOM 284 N ASP A 93 -1.399 3.374 5.343 1.00 0.00 N ATOM 285 CA ASP A 93 -1.217 4.840 5.527 1.00 0.00 C ATOM 286 C ASP A 93 -1.445 5.196 6.997 1.00 0.00 C ATOM 287 O ASP A 93 -2.518 5.613 7.388 1.00 0.00 O ATOM 288 CB ASP A 93 -2.232 5.578 4.650 1.00 0.00 C ATOM 289 CG ASP A 93 -1.883 7.065 4.596 1.00 0.00 C ATOM 290 OD1 ASP A 93 -0.853 7.392 4.031 1.00 0.00 O ATOM 291 OD2 ASP A 93 -2.654 7.853 5.120 1.00 0.00 O ATOM 0 H ASP A 93 -2.326 3.093 5.024 1.00 0.00 H new ATOM 0 HA ASP A 93 -0.207 5.132 5.241 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -2.231 5.158 3.644 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -3.237 5.445 5.050 1.00 0.00 H new ATOM 296 N LYS A 94 -0.444 5.026 7.817 1.00 0.00 N ATOM 297 CA LYS A 94 -0.594 5.340 9.262 1.00 0.00 C ATOM 298 C LYS A 94 -0.444 6.839 9.492 1.00 0.00 C ATOM 299 O LYS A 94 -0.880 7.372 10.494 1.00 0.00 O ATOM 300 CB LYS A 94 0.484 4.602 10.044 1.00 0.00 C ATOM 301 CG LYS A 94 0.376 3.100 9.770 1.00 0.00 C ATOM 302 CD LYS A 94 -0.345 2.418 10.934 1.00 0.00 C ATOM 303 CE LYS A 94 -1.565 1.661 10.406 1.00 0.00 C ATOM 304 NZ LYS A 94 -2.245 0.965 11.535 1.00 0.00 N ATOM 0 H LYS A 94 0.476 4.681 7.544 1.00 0.00 H new ATOM 0 HA LYS A 94 -1.583 5.027 9.597 1.00 0.00 H new ATOM 0 HB2 LYS A 94 1.470 4.965 9.755 1.00 0.00 H new ATOM 0 HB3 LYS A 94 0.372 4.797 11.111 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -0.167 2.927 8.841 1.00 0.00 H new ATOM 0 HG3 LYS A 94 1.370 2.671 9.643 1.00 0.00 H new ATOM 0 HD2 LYS A 94 0.331 1.730 11.442 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -0.655 3.161 11.669 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -2.255 2.353 9.923 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -1.258 0.938 9.651 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -3.074 0.450 11.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -1.585 0.293 11.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -2.551 1.665 12.241 1.00 0.00 H new ATOM 318 N ASP A 95 0.166 7.523 8.574 1.00 0.00 N ATOM 319 CA ASP A 95 0.341 8.991 8.744 1.00 0.00 C ATOM 320 C ASP A 95 -0.978 9.694 8.408 1.00 0.00 C ATOM 321 O ASP A 95 -1.073 10.904 8.463 1.00 0.00 O ATOM 322 CB ASP A 95 1.439 9.487 7.801 1.00 0.00 C ATOM 323 CG ASP A 95 2.763 9.580 8.560 1.00 0.00 C ATOM 324 OD1 ASP A 95 2.728 9.893 9.739 1.00 0.00 O ATOM 325 OD2 ASP A 95 3.792 9.338 7.950 1.00 0.00 O ATOM 0 H ASP A 95 0.552 7.134 7.714 1.00 0.00 H new ATOM 0 HA ASP A 95 0.624 9.211 9.773 1.00 0.00 H new ATOM 0 HB2 ASP A 95 1.540 8.807 6.955 1.00 0.00 H new ATOM 0 HB3 ASP A 95 1.171 10.463 7.396 1.00 0.00 H new ATOM 330 N GLY A 96 -1.998 8.940 8.077 1.00 0.00 N ATOM 331 CA GLY A 96 -3.319 9.554 7.749 1.00 0.00 C ATOM 332 C GLY A 96 -3.119 10.855 6.968 1.00 0.00 C ATOM 333 O GLY A 96 -3.703 11.873 7.283 1.00 0.00 O ATOM 0 H GLY A 96 -1.970 7.922 8.020 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -3.916 8.857 7.161 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -3.873 9.754 8.666 1.00 0.00 H new ATOM 337 N ASN A 97 -2.298 10.834 5.956 1.00 0.00 N ATOM 338 CA ASN A 97 -2.064 12.075 5.164 1.00 0.00 C ATOM 339 C ASN A 97 -2.711 11.939 3.783 1.00 0.00 C ATOM 340 O ASN A 97 -2.939 12.914 3.096 1.00 0.00 O ATOM 341 CB ASN A 97 -0.558 12.300 5.002 1.00 0.00 C ATOM 342 CG ASN A 97 0.056 11.130 4.231 1.00 0.00 C ATOM 343 OD1 ASN A 97 0.037 10.006 4.693 1.00 0.00 O ATOM 344 ND2 ASN A 97 0.607 11.348 3.069 1.00 0.00 N ATOM 0 H ASN A 97 -1.779 10.013 5.643 1.00 0.00 H new ATOM 0 HA ASN A 97 -2.507 12.923 5.686 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -0.375 13.234 4.471 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -0.086 12.391 5.980 1.00 0.00 H new ATOM 0 HD21 ASN A 97 1.022 10.575 2.548 1.00 0.00 H new ATOM 0 HD22 ASN A 97 0.623 12.291 2.681 1.00 0.00 H new ATOM 351 N GLY A 98 -3.010 10.738 3.369 1.00 0.00 N ATOM 352 CA GLY A 98 -3.640 10.547 2.030 1.00 0.00 C ATOM 353 C GLY A 98 -2.741 9.665 1.165 1.00 0.00 C ATOM 354 O GLY A 98 -3.207 8.856 0.388 1.00 0.00 O ATOM 0 H GLY A 98 -2.846 9.882 3.898 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -4.622 10.086 2.141 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -3.793 11.512 1.547 1.00 0.00 H new ATOM 358 N TYR A 99 -1.453 9.820 1.292 1.00 0.00 N ATOM 359 CA TYR A 99 -0.515 9.004 0.483 1.00 0.00 C ATOM 360 C TYR A 99 0.323 8.117 1.408 1.00 0.00 C ATOM 361 O TYR A 99 0.720 8.523 2.482 1.00 0.00 O ATOM 362 CB TYR A 99 0.413 9.935 -0.296 1.00 0.00 C ATOM 363 CG TYR A 99 -0.330 10.487 -1.483 1.00 0.00 C ATOM 364 CD1 TYR A 99 -0.321 9.790 -2.692 1.00 0.00 C ATOM 365 CD2 TYR A 99 -1.029 11.695 -1.375 1.00 0.00 C ATOM 366 CE1 TYR A 99 -1.012 10.297 -3.797 1.00 0.00 C ATOM 367 CE2 TYR A 99 -1.720 12.204 -2.478 1.00 0.00 C ATOM 368 CZ TYR A 99 -1.711 11.506 -3.691 1.00 0.00 C ATOM 369 OH TYR A 99 -2.394 12.007 -4.780 1.00 0.00 O ATOM 0 H TYR A 99 -1.010 10.483 1.928 1.00 0.00 H new ATOM 0 HA TYR A 99 -1.079 8.377 -0.208 1.00 0.00 H new ATOM 0 HB2 TYR A 99 0.756 10.748 0.345 1.00 0.00 H new ATOM 0 HB3 TYR A 99 1.300 9.393 -0.625 1.00 0.00 H new ATOM 0 HD1 TYR A 99 0.220 8.859 -2.774 1.00 0.00 H new ATOM 0 HD2 TYR A 99 -1.034 12.234 -0.439 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -1.007 9.756 -4.732 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -2.261 13.135 -2.394 1.00 0.00 H new ATOM 0 HH TYR A 99 -2.825 12.852 -4.535 1.00 0.00 H new ATOM 379 N ILE A 100 0.597 6.913 0.998 1.00 0.00 N ATOM 380 CA ILE A 100 1.411 5.996 1.838 1.00 0.00 C ATOM 381 C ILE A 100 2.890 6.175 1.481 1.00 0.00 C ATOM 382 O ILE A 100 3.281 6.039 0.339 1.00 0.00 O ATOM 383 CB ILE A 100 0.976 4.559 1.552 1.00 0.00 C ATOM 384 CG1 ILE A 100 -0.461 4.363 2.050 1.00 0.00 C ATOM 385 CG2 ILE A 100 1.904 3.582 2.277 1.00 0.00 C ATOM 386 CD1 ILE A 100 -1.019 3.035 1.535 1.00 0.00 C ATOM 0 H ILE A 100 0.289 6.521 0.108 1.00 0.00 H new ATOM 0 HA ILE A 100 1.268 6.218 2.896 1.00 0.00 H new ATOM 0 HB ILE A 100 1.026 4.370 0.480 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -0.482 4.377 3.140 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -1.088 5.187 1.709 1.00 0.00 H new ATOM 0 HG21 ILE A 100 1.589 2.559 2.070 1.00 0.00 H new ATOM 0 HG22 ILE A 100 2.927 3.725 1.928 1.00 0.00 H new ATOM 0 HG23 ILE A 100 1.858 3.765 3.351 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -2.040 2.905 1.894 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -1.015 3.037 0.445 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -0.400 2.215 1.898 1.00 0.00 H new ATOM 398 N SER A 101 3.715 6.485 2.445 1.00 0.00 N ATOM 399 CA SER A 101 5.163 6.678 2.150 1.00 0.00 C ATOM 400 C SER A 101 5.858 5.317 2.102 1.00 0.00 C ATOM 401 O SER A 101 5.270 4.298 2.403 1.00 0.00 O ATOM 402 CB SER A 101 5.799 7.538 3.241 1.00 0.00 C ATOM 403 OG SER A 101 6.057 6.733 4.384 1.00 0.00 O ATOM 0 H SER A 101 3.449 6.613 3.421 1.00 0.00 H new ATOM 0 HA SER A 101 5.273 7.177 1.187 1.00 0.00 H new ATOM 0 HB2 SER A 101 6.726 7.980 2.877 1.00 0.00 H new ATOM 0 HB3 SER A 101 5.135 8.361 3.504 1.00 0.00 H new ATOM 0 HG SER A 101 6.467 7.282 5.085 1.00 0.00 H new ATOM 409 N ALA A 102 7.107 5.292 1.726 1.00 0.00 N ATOM 410 CA ALA A 102 7.836 3.994 1.662 1.00 0.00 C ATOM 411 C ALA A 102 7.925 3.393 3.061 1.00 0.00 C ATOM 412 O ALA A 102 7.741 2.208 3.250 1.00 0.00 O ATOM 413 CB ALA A 102 9.246 4.222 1.113 1.00 0.00 C ATOM 0 H ALA A 102 7.653 6.112 1.461 1.00 0.00 H new ATOM 0 HA ALA A 102 7.300 3.310 1.005 1.00 0.00 H new ATOM 0 HB1 ALA A 102 9.777 3.271 1.067 1.00 0.00 H new ATOM 0 HB2 ALA A 102 9.182 4.650 0.113 1.00 0.00 H new ATOM 0 HB3 ALA A 102 9.785 4.907 1.767 1.00 0.00 H new ATOM 419 N ALA A 103 8.203 4.199 4.045 1.00 0.00 N ATOM 420 CA ALA A 103 8.301 3.672 5.430 1.00 0.00 C ATOM 421 C ALA A 103 6.942 3.121 5.864 1.00 0.00 C ATOM 422 O ALA A 103 6.860 2.196 6.649 1.00 0.00 O ATOM 423 CB ALA A 103 8.725 4.796 6.377 1.00 0.00 C ATOM 0 H ALA A 103 8.367 5.201 3.949 1.00 0.00 H new ATOM 0 HA ALA A 103 9.042 2.874 5.463 1.00 0.00 H new ATOM 0 HB1 ALA A 103 8.797 4.408 7.393 1.00 0.00 H new ATOM 0 HB2 ALA A 103 9.695 5.185 6.068 1.00 0.00 H new ATOM 0 HB3 ALA A 103 7.986 5.597 6.345 1.00 0.00 H new ATOM 429 N GLU A 104 5.874 3.675 5.357 1.00 0.00 N ATOM 430 CA GLU A 104 4.525 3.175 5.741 1.00 0.00 C ATOM 431 C GLU A 104 4.291 1.812 5.089 1.00 0.00 C ATOM 432 O GLU A 104 3.481 1.027 5.541 1.00 0.00 O ATOM 433 CB GLU A 104 3.463 4.161 5.255 1.00 0.00 C ATOM 434 CG GLU A 104 3.432 5.378 6.182 1.00 0.00 C ATOM 435 CD GLU A 104 2.854 4.974 7.538 1.00 0.00 C ATOM 436 OE1 GLU A 104 2.342 3.870 7.637 1.00 0.00 O ATOM 437 OE2 GLU A 104 2.933 5.773 8.456 1.00 0.00 O ATOM 0 H GLU A 104 5.878 4.451 4.695 1.00 0.00 H new ATOM 0 HA GLU A 104 4.462 3.078 6.825 1.00 0.00 H new ATOM 0 HB2 GLU A 104 3.682 4.474 4.234 1.00 0.00 H new ATOM 0 HB3 GLU A 104 2.485 3.679 5.238 1.00 0.00 H new ATOM 0 HG2 GLU A 104 4.438 5.777 6.309 1.00 0.00 H new ATOM 0 HG3 GLU A 104 2.828 6.170 5.739 1.00 0.00 H new ATOM 444 N LEU A 105 4.995 1.528 4.027 1.00 0.00 N ATOM 445 CA LEU A 105 4.813 0.216 3.342 1.00 0.00 C ATOM 446 C LEU A 105 5.753 -0.822 3.962 1.00 0.00 C ATOM 447 O LEU A 105 5.442 -1.994 4.020 1.00 0.00 O ATOM 448 CB LEU A 105 5.131 0.370 1.853 1.00 0.00 C ATOM 449 CG LEU A 105 4.527 -0.802 1.077 1.00 0.00 C ATOM 450 CD1 LEU A 105 3.108 -0.444 0.630 1.00 0.00 C ATOM 451 CD2 LEU A 105 5.388 -1.095 -0.153 1.00 0.00 C ATOM 0 H LEU A 105 5.687 2.147 3.604 1.00 0.00 H new ATOM 0 HA LEU A 105 3.781 -0.115 3.461 1.00 0.00 H new ATOM 0 HB2 LEU A 105 4.729 1.312 1.480 1.00 0.00 H new ATOM 0 HB3 LEU A 105 6.210 0.402 1.702 1.00 0.00 H new ATOM 0 HG LEU A 105 4.494 -1.683 1.719 1.00 0.00 H new ATOM 0 HD11 LEU A 105 2.679 -1.280 0.077 1.00 0.00 H new ATOM 0 HD12 LEU A 105 2.493 -0.234 1.505 1.00 0.00 H new ATOM 0 HD13 LEU A 105 3.140 0.437 -0.011 1.00 0.00 H new ATOM 0 HD21 LEU A 105 4.959 -1.930 -0.707 1.00 0.00 H new ATOM 0 HD22 LEU A 105 5.420 -0.213 -0.793 1.00 0.00 H new ATOM 0 HD23 LEU A 105 6.399 -1.351 0.163 1.00 0.00 H new ATOM 463 N ARG A 106 6.901 -0.403 4.426 1.00 0.00 N ATOM 464 CA ARG A 106 7.853 -1.370 5.039 1.00 0.00 C ATOM 465 C ARG A 106 7.539 -1.507 6.535 1.00 0.00 C ATOM 466 O ARG A 106 8.070 -2.365 7.214 1.00 0.00 O ATOM 467 CB ARG A 106 9.292 -0.864 4.811 1.00 0.00 C ATOM 468 CG ARG A 106 10.150 -1.027 6.074 1.00 0.00 C ATOM 469 CD ARG A 106 11.600 -0.641 5.765 1.00 0.00 C ATOM 470 NE ARG A 106 11.636 0.340 4.642 1.00 0.00 N ATOM 471 CZ ARG A 106 11.920 1.593 4.876 1.00 0.00 C ATOM 472 NH1 ARG A 106 13.056 1.912 5.434 1.00 0.00 N ATOM 473 NH2 ARG A 106 11.070 2.526 4.549 1.00 0.00 N ATOM 0 H ARG A 106 7.218 0.566 4.406 1.00 0.00 H new ATOM 0 HA ARG A 106 7.754 -2.353 4.579 1.00 0.00 H new ATOM 0 HB2 ARG A 106 9.746 -1.414 3.987 1.00 0.00 H new ATOM 0 HB3 ARG A 106 9.268 0.186 4.519 1.00 0.00 H new ATOM 0 HG2 ARG A 106 9.759 -0.399 6.875 1.00 0.00 H new ATOM 0 HG3 ARG A 106 10.105 -2.058 6.426 1.00 0.00 H new ATOM 0 HD2 ARG A 106 12.067 -0.210 6.651 1.00 0.00 H new ATOM 0 HD3 ARG A 106 12.174 -1.530 5.502 1.00 0.00 H new ATOM 0 HE ARG A 106 11.439 0.032 3.690 1.00 0.00 H new ATOM 0 HH11 ARG A 106 13.722 1.182 5.687 1.00 0.00 H new ATOM 0 HH12 ARG A 106 13.277 2.891 5.617 1.00 0.00 H new ATOM 0 HH21 ARG A 106 10.183 2.277 4.110 1.00 0.00 H new ATOM 0 HH22 ARG A 106 11.292 3.505 4.732 1.00 0.00 H new ATOM 487 N HIS A 107 6.684 -0.669 7.055 1.00 0.00 N ATOM 488 CA HIS A 107 6.344 -0.757 8.502 1.00 0.00 C ATOM 489 C HIS A 107 5.176 -1.728 8.699 1.00 0.00 C ATOM 490 O HIS A 107 5.145 -2.493 9.643 1.00 0.00 O ATOM 491 CB HIS A 107 5.949 0.628 9.020 1.00 0.00 C ATOM 492 CG HIS A 107 5.785 0.575 10.514 1.00 0.00 C ATOM 493 ND1 HIS A 107 6.856 0.724 11.381 1.00 0.00 N ATOM 494 CD2 HIS A 107 4.682 0.388 11.310 1.00 0.00 C ATOM 495 CE1 HIS A 107 6.380 0.623 12.635 1.00 0.00 C ATOM 496 NE2 HIS A 107 5.059 0.418 12.648 1.00 0.00 N ATOM 0 H HIS A 107 6.207 0.072 6.540 1.00 0.00 H new ATOM 0 HA HIS A 107 7.211 -1.118 9.055 1.00 0.00 H new ATOM 0 HB2 HIS A 107 6.712 1.359 8.753 1.00 0.00 H new ATOM 0 HB3 HIS A 107 5.019 0.952 8.552 1.00 0.00 H new ATOM 0 HD2 HIS A 107 3.674 0.240 10.951 1.00 0.00 H new ATOM 0 HE1 HIS A 107 6.990 0.698 13.523 1.00 0.00 H new ATOM 0 HE2 HIS A 107 4.457 0.307 13.464 1.00 0.00 H new ATOM 504 N VAL A 108 4.212 -1.706 7.817 1.00 0.00 N ATOM 505 CA VAL A 108 3.051 -2.629 7.966 1.00 0.00 C ATOM 506 C VAL A 108 3.351 -3.954 7.269 1.00 0.00 C ATOM 507 O VAL A 108 2.850 -4.993 7.650 1.00 0.00 O ATOM 508 CB VAL A 108 1.805 -1.995 7.345 1.00 0.00 C ATOM 509 CG1 VAL A 108 0.614 -2.940 7.511 1.00 0.00 C ATOM 510 CG2 VAL A 108 1.501 -0.670 8.045 1.00 0.00 C ATOM 0 H VAL A 108 4.179 -1.091 7.004 1.00 0.00 H new ATOM 0 HA VAL A 108 2.874 -2.812 9.026 1.00 0.00 H new ATOM 0 HB VAL A 108 1.983 -1.814 6.285 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -0.274 -2.488 7.068 1.00 0.00 H new ATOM 0 HG12 VAL A 108 0.827 -3.885 7.012 1.00 0.00 H new ATOM 0 HG13 VAL A 108 0.438 -3.121 8.571 1.00 0.00 H new ATOM 0 HG21 VAL A 108 0.613 -0.220 7.601 1.00 0.00 H new ATOM 0 HG22 VAL A 108 1.325 -0.851 9.105 1.00 0.00 H new ATOM 0 HG23 VAL A 108 2.348 0.006 7.928 1.00 0.00 H new ATOM 520 N MET A 109 4.166 -3.928 6.254 1.00 0.00 N ATOM 521 CA MET A 109 4.498 -5.192 5.535 1.00 0.00 C ATOM 522 C MET A 109 5.326 -6.090 6.452 1.00 0.00 C ATOM 523 O MET A 109 5.400 -7.288 6.262 1.00 0.00 O ATOM 524 CB MET A 109 5.302 -4.872 4.274 1.00 0.00 C ATOM 525 CG MET A 109 4.344 -4.608 3.113 1.00 0.00 C ATOM 526 SD MET A 109 5.096 -5.181 1.570 1.00 0.00 S ATOM 527 CE MET A 109 3.960 -4.341 0.441 1.00 0.00 C ATOM 0 H MET A 109 4.617 -3.089 5.890 1.00 0.00 H new ATOM 0 HA MET A 109 3.577 -5.703 5.254 1.00 0.00 H new ATOM 0 HB2 MET A 109 5.934 -4.000 4.444 1.00 0.00 H new ATOM 0 HB3 MET A 109 5.964 -5.703 4.031 1.00 0.00 H new ATOM 0 HG2 MET A 109 3.399 -5.123 3.283 1.00 0.00 H new ATOM 0 HG3 MET A 109 4.119 -3.543 3.047 1.00 0.00 H new ATOM 0 HE1 MET A 109 4.495 -4.049 -0.463 1.00 0.00 H new ATOM 0 HE2 MET A 109 3.144 -5.014 0.178 1.00 0.00 H new ATOM 0 HE3 MET A 109 3.555 -3.453 0.926 1.00 0.00 H new ATOM 537 N THR A 110 5.948 -5.522 7.445 1.00 0.00 N ATOM 538 CA THR A 110 6.768 -6.346 8.374 1.00 0.00 C ATOM 539 C THR A 110 5.973 -6.623 9.651 1.00 0.00 C ATOM 540 O THR A 110 6.454 -7.263 10.565 1.00 0.00 O ATOM 541 CB THR A 110 8.051 -5.595 8.723 1.00 0.00 C ATOM 542 OG1 THR A 110 8.830 -6.379 9.614 1.00 0.00 O ATOM 543 CG2 THR A 110 7.689 -4.273 9.387 1.00 0.00 C ATOM 0 H THR A 110 5.924 -4.524 7.654 1.00 0.00 H new ATOM 0 HA THR A 110 7.020 -7.291 7.894 1.00 0.00 H new ATOM 0 HB THR A 110 8.625 -5.404 7.817 1.00 0.00 H new ATOM 0 HG1 THR A 110 8.970 -7.269 9.229 1.00 0.00 H new ATOM 0 HG21 THR A 110 8.600 -3.731 9.639 1.00 0.00 H new ATOM 0 HG22 THR A 110 7.088 -3.674 8.702 1.00 0.00 H new ATOM 0 HG23 THR A 110 7.119 -4.466 10.296 1.00 0.00 H new ATOM 551 N ASN A 111 4.761 -6.147 9.721 1.00 0.00 N ATOM 552 CA ASN A 111 3.937 -6.386 10.939 1.00 0.00 C ATOM 553 C ASN A 111 3.806 -7.891 11.183 1.00 0.00 C ATOM 554 O ASN A 111 3.433 -8.324 12.255 1.00 0.00 O ATOM 555 CB ASN A 111 2.547 -5.780 10.738 1.00 0.00 C ATOM 556 CG ASN A 111 1.780 -6.599 9.698 1.00 0.00 C ATOM 557 OD1 ASN A 111 2.356 -7.414 9.004 1.00 0.00 O ATOM 558 ND2 ASN A 111 0.495 -6.417 9.560 1.00 0.00 N ATOM 0 H ASN A 111 4.306 -5.603 8.988 1.00 0.00 H new ATOM 0 HA ASN A 111 4.418 -5.921 11.799 1.00 0.00 H new ATOM 0 HB2 ASN A 111 2.003 -5.770 11.682 1.00 0.00 H new ATOM 0 HB3 ASN A 111 2.634 -4.744 10.409 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -0.026 -6.959 8.870 1.00 0.00 H new ATOM 0 HD22 ASN A 111 0.011 -5.733 10.142 1.00 0.00 H new ATOM 565 N LEU A 112 4.106 -8.693 10.198 1.00 0.00 N ATOM 566 CA LEU A 112 3.993 -10.166 10.376 1.00 0.00 C ATOM 567 C LEU A 112 5.391 -10.782 10.466 1.00 0.00 C ATOM 568 O LEU A 112 5.567 -11.873 10.973 1.00 0.00 O ATOM 569 CB LEU A 112 3.242 -10.767 9.186 1.00 0.00 C ATOM 570 CG LEU A 112 1.842 -10.156 9.111 1.00 0.00 C ATOM 571 CD1 LEU A 112 1.593 -9.614 7.704 1.00 0.00 C ATOM 572 CD2 LEU A 112 0.800 -11.229 9.435 1.00 0.00 C ATOM 0 H LEU A 112 4.425 -8.390 9.278 1.00 0.00 H new ATOM 0 HA LEU A 112 3.447 -10.379 11.295 1.00 0.00 H new ATOM 0 HB2 LEU A 112 3.786 -10.572 8.262 1.00 0.00 H new ATOM 0 HB3 LEU A 112 3.174 -11.850 9.294 1.00 0.00 H new ATOM 0 HG LEU A 112 1.764 -9.342 9.831 1.00 0.00 H new ATOM 0 HD11 LEU A 112 0.595 -9.179 7.653 1.00 0.00 H new ATOM 0 HD12 LEU A 112 2.334 -8.849 7.472 1.00 0.00 H new ATOM 0 HD13 LEU A 112 1.672 -10.427 6.982 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -0.198 -10.795 9.382 1.00 0.00 H new ATOM 0 HD22 LEU A 112 0.880 -12.043 8.715 1.00 0.00 H new ATOM 0 HD23 LEU A 112 0.975 -11.614 10.439 1.00 0.00 H new ATOM 584 N GLY A 113 6.387 -10.095 9.977 1.00 0.00 N ATOM 585 CA GLY A 113 7.770 -10.645 10.037 1.00 0.00 C ATOM 586 C GLY A 113 8.542 -10.237 8.781 1.00 0.00 C ATOM 587 O GLY A 113 9.739 -10.036 8.816 1.00 0.00 O ATOM 0 H GLY A 113 6.303 -9.178 9.539 1.00 0.00 H new ATOM 0 HA2 GLY A 113 8.281 -10.275 10.926 1.00 0.00 H new ATOM 0 HA3 GLY A 113 7.736 -11.731 10.118 1.00 0.00 H new ATOM 591 N GLU A 114 7.867 -10.114 7.671 1.00 0.00 N ATOM 592 CA GLU A 114 8.567 -9.721 6.418 1.00 0.00 C ATOM 593 C GLU A 114 9.413 -8.473 6.676 1.00 0.00 C ATOM 594 O GLU A 114 8.986 -7.547 7.331 1.00 0.00 O ATOM 595 CB GLU A 114 7.535 -9.415 5.329 1.00 0.00 C ATOM 596 CG GLU A 114 6.547 -10.576 5.217 1.00 0.00 C ATOM 597 CD GLU A 114 6.140 -10.761 3.755 1.00 0.00 C ATOM 598 OE1 GLU A 114 6.149 -9.780 3.029 1.00 0.00 O ATOM 599 OE2 GLU A 114 5.826 -11.879 3.384 1.00 0.00 O ATOM 0 H GLU A 114 6.863 -10.269 7.579 1.00 0.00 H new ATOM 0 HA GLU A 114 9.210 -10.539 6.092 1.00 0.00 H new ATOM 0 HB2 GLU A 114 7.003 -8.494 5.567 1.00 0.00 H new ATOM 0 HB3 GLU A 114 8.036 -9.257 4.374 1.00 0.00 H new ATOM 0 HG2 GLU A 114 7.000 -11.491 5.598 1.00 0.00 H new ATOM 0 HG3 GLU A 114 5.666 -10.378 5.828 1.00 0.00 H new ATOM 606 N LYS A 115 10.610 -8.442 6.163 1.00 0.00 N ATOM 607 CA LYS A 115 11.478 -7.251 6.377 1.00 0.00 C ATOM 608 C LYS A 115 11.899 -6.688 5.019 1.00 0.00 C ATOM 609 O LYS A 115 12.978 -6.957 4.531 1.00 0.00 O ATOM 610 CB LYS A 115 12.721 -7.658 7.173 1.00 0.00 C ATOM 611 CG LYS A 115 12.786 -6.847 8.468 1.00 0.00 C ATOM 612 CD LYS A 115 12.985 -7.790 9.657 1.00 0.00 C ATOM 613 CE LYS A 115 11.666 -8.498 9.975 1.00 0.00 C ATOM 614 NZ LYS A 115 11.430 -8.472 11.446 1.00 0.00 N ATOM 0 H LYS A 115 11.025 -9.189 5.605 1.00 0.00 H new ATOM 0 HA LYS A 115 10.929 -6.492 6.934 1.00 0.00 H new ATOM 0 HB2 LYS A 115 12.688 -8.724 7.400 1.00 0.00 H new ATOM 0 HB3 LYS A 115 13.619 -7.487 6.579 1.00 0.00 H new ATOM 0 HG2 LYS A 115 13.606 -6.130 8.419 1.00 0.00 H new ATOM 0 HG3 LYS A 115 11.868 -6.273 8.596 1.00 0.00 H new ATOM 0 HD2 LYS A 115 13.757 -8.524 9.427 1.00 0.00 H new ATOM 0 HD3 LYS A 115 13.327 -7.229 10.526 1.00 0.00 H new ATOM 0 HE2 LYS A 115 10.843 -8.007 9.455 1.00 0.00 H new ATOM 0 HE3 LYS A 115 11.699 -9.528 9.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 10.534 -8.953 11.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 12.210 -8.959 11.931 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 11.381 -7.486 11.772 1.00 0.00 H new ATOM 628 N LEU A 116 11.051 -5.911 4.401 1.00 0.00 N ATOM 629 CA LEU A 116 11.400 -5.335 3.073 1.00 0.00 C ATOM 630 C LEU A 116 12.600 -4.400 3.220 1.00 0.00 C ATOM 631 O LEU A 116 12.672 -3.604 4.135 1.00 0.00 O ATOM 632 CB LEU A 116 10.208 -4.546 2.523 1.00 0.00 C ATOM 633 CG LEU A 116 9.328 -5.468 1.679 1.00 0.00 C ATOM 634 CD1 LEU A 116 8.406 -6.273 2.598 1.00 0.00 C ATOM 635 CD2 LEU A 116 8.485 -4.625 0.718 1.00 0.00 C ATOM 0 H LEU A 116 10.132 -5.651 4.759 1.00 0.00 H new ATOM 0 HA LEU A 116 11.649 -6.144 2.386 1.00 0.00 H new ATOM 0 HB2 LEU A 116 9.628 -4.124 3.344 1.00 0.00 H new ATOM 0 HB3 LEU A 116 10.560 -3.710 1.919 1.00 0.00 H new ATOM 0 HG LEU A 116 9.956 -6.151 1.108 1.00 0.00 H new ATOM 0 HD11 LEU A 116 7.778 -6.931 1.997 1.00 0.00 H new ATOM 0 HD12 LEU A 116 9.007 -6.871 3.283 1.00 0.00 H new ATOM 0 HD13 LEU A 116 7.776 -5.591 3.169 1.00 0.00 H new ATOM 0 HD21 LEU A 116 7.856 -5.280 0.115 1.00 0.00 H new ATOM 0 HD22 LEU A 116 7.855 -3.943 1.289 1.00 0.00 H new ATOM 0 HD23 LEU A 116 9.142 -4.051 0.065 1.00 0.00 H new ATOM 647 N THR A 117 13.539 -4.486 2.321 1.00 0.00 N ATOM 648 CA THR A 117 14.731 -3.597 2.400 1.00 0.00 C ATOM 649 C THR A 117 14.449 -2.322 1.600 1.00 0.00 C ATOM 650 O THR A 117 13.371 -2.147 1.072 1.00 0.00 O ATOM 651 CB THR A 117 15.945 -4.330 1.826 1.00 0.00 C ATOM 652 OG1 THR A 117 17.068 -3.461 1.805 1.00 0.00 O ATOM 653 CG2 THR A 117 15.627 -4.792 0.412 1.00 0.00 C ATOM 0 H THR A 117 13.533 -5.134 1.534 1.00 0.00 H new ATOM 0 HA THR A 117 14.939 -3.331 3.436 1.00 0.00 H new ATOM 0 HB THR A 117 16.177 -5.193 2.450 1.00 0.00 H new ATOM 0 HG1 THR A 117 17.843 -3.936 1.438 1.00 0.00 H new ATOM 0 HG21 THR A 117 16.489 -5.315 -0.002 1.00 0.00 H new ATOM 0 HG22 THR A 117 14.770 -5.465 0.433 1.00 0.00 H new ATOM 0 HG23 THR A 117 15.394 -3.927 -0.210 1.00 0.00 H new ATOM 661 N ASP A 118 15.391 -1.423 1.514 1.00 0.00 N ATOM 662 CA ASP A 118 15.148 -0.161 0.754 1.00 0.00 C ATOM 663 C ASP A 118 14.994 -0.465 -0.740 1.00 0.00 C ATOM 664 O ASP A 118 14.017 -0.096 -1.361 1.00 0.00 O ATOM 665 CB ASP A 118 16.328 0.785 0.951 1.00 0.00 C ATOM 666 CG ASP A 118 16.185 1.516 2.288 1.00 0.00 C ATOM 667 OD1 ASP A 118 15.082 1.551 2.807 1.00 0.00 O ATOM 668 OD2 ASP A 118 17.183 2.030 2.768 1.00 0.00 O ATOM 0 H ASP A 118 16.316 -1.506 1.935 1.00 0.00 H new ATOM 0 HA ASP A 118 14.233 0.302 1.123 1.00 0.00 H new ATOM 0 HB2 ASP A 118 17.263 0.225 0.930 1.00 0.00 H new ATOM 0 HB3 ASP A 118 16.369 1.505 0.134 1.00 0.00 H new ATOM 673 N GLU A 119 15.959 -1.123 -1.324 1.00 0.00 N ATOM 674 CA GLU A 119 15.881 -1.439 -2.782 1.00 0.00 C ATOM 675 C GLU A 119 14.654 -2.309 -3.071 1.00 0.00 C ATOM 676 O GLU A 119 14.278 -2.507 -4.209 1.00 0.00 O ATOM 677 CB GLU A 119 17.144 -2.194 -3.205 1.00 0.00 C ATOM 678 CG GLU A 119 18.256 -1.193 -3.524 1.00 0.00 C ATOM 679 CD GLU A 119 19.615 -1.820 -3.205 1.00 0.00 C ATOM 680 OE1 GLU A 119 19.629 -2.908 -2.654 1.00 0.00 O ATOM 681 OE2 GLU A 119 20.619 -1.201 -3.517 1.00 0.00 O ATOM 0 H GLU A 119 16.801 -1.457 -0.854 1.00 0.00 H new ATOM 0 HA GLU A 119 15.798 -0.508 -3.342 1.00 0.00 H new ATOM 0 HB2 GLU A 119 17.463 -2.866 -2.408 1.00 0.00 H new ATOM 0 HB3 GLU A 119 16.935 -2.812 -4.078 1.00 0.00 H new ATOM 0 HG2 GLU A 119 18.213 -0.908 -4.575 1.00 0.00 H new ATOM 0 HG3 GLU A 119 18.118 -0.282 -2.941 1.00 0.00 H new ATOM 688 N GLU A 120 14.032 -2.833 -2.053 1.00 0.00 N ATOM 689 CA GLU A 120 12.838 -3.693 -2.271 1.00 0.00 C ATOM 690 C GLU A 120 11.565 -2.862 -2.084 1.00 0.00 C ATOM 691 O GLU A 120 10.557 -3.100 -2.718 1.00 0.00 O ATOM 692 CB GLU A 120 12.861 -4.846 -1.258 1.00 0.00 C ATOM 693 CG GLU A 120 11.477 -5.491 -1.167 1.00 0.00 C ATOM 694 CD GLU A 120 11.159 -6.209 -2.479 1.00 0.00 C ATOM 695 OE1 GLU A 120 10.828 -5.531 -3.438 1.00 0.00 O ATOM 696 OE2 GLU A 120 11.255 -7.425 -2.505 1.00 0.00 O ATOM 0 H GLU A 120 14.300 -2.702 -1.078 1.00 0.00 H new ATOM 0 HA GLU A 120 12.853 -4.096 -3.284 1.00 0.00 H new ATOM 0 HB2 GLU A 120 13.599 -5.590 -1.558 1.00 0.00 H new ATOM 0 HB3 GLU A 120 13.163 -4.475 -0.279 1.00 0.00 H new ATOM 0 HG2 GLU A 120 11.448 -6.198 -0.338 1.00 0.00 H new ATOM 0 HG3 GLU A 120 10.723 -4.731 -0.965 1.00 0.00 H new ATOM 703 N VAL A 121 11.605 -1.897 -1.211 1.00 0.00 N ATOM 704 CA VAL A 121 10.400 -1.053 -0.969 1.00 0.00 C ATOM 705 C VAL A 121 10.176 -0.116 -2.159 1.00 0.00 C ATOM 706 O VAL A 121 9.111 -0.082 -2.736 1.00 0.00 O ATOM 707 CB VAL A 121 10.605 -0.228 0.307 1.00 0.00 C ATOM 708 CG1 VAL A 121 9.581 0.909 0.361 1.00 0.00 C ATOM 709 CG2 VAL A 121 10.419 -1.129 1.528 1.00 0.00 C ATOM 0 H VAL A 121 12.423 -1.654 -0.652 1.00 0.00 H new ATOM 0 HA VAL A 121 9.526 -1.694 -0.851 1.00 0.00 H new ATOM 0 HB VAL A 121 11.611 0.191 0.305 1.00 0.00 H new ATOM 0 HG11 VAL A 121 9.732 1.492 1.270 1.00 0.00 H new ATOM 0 HG12 VAL A 121 9.707 1.554 -0.509 1.00 0.00 H new ATOM 0 HG13 VAL A 121 8.574 0.492 0.360 1.00 0.00 H new ATOM 0 HG21 VAL A 121 10.564 -0.545 2.437 1.00 0.00 H new ATOM 0 HG22 VAL A 121 9.412 -1.547 1.522 1.00 0.00 H new ATOM 0 HG23 VAL A 121 11.148 -1.939 1.497 1.00 0.00 H new ATOM 719 N ASP A 122 11.166 0.651 -2.525 1.00 0.00 N ATOM 720 CA ASP A 122 10.997 1.588 -3.671 1.00 0.00 C ATOM 721 C ASP A 122 10.529 0.814 -4.905 1.00 0.00 C ATOM 722 O ASP A 122 9.765 1.313 -5.704 1.00 0.00 O ATOM 723 CB ASP A 122 12.329 2.273 -3.979 1.00 0.00 C ATOM 724 CG ASP A 122 12.794 3.069 -2.758 1.00 0.00 C ATOM 725 OD1 ASP A 122 12.558 2.612 -1.651 1.00 0.00 O ATOM 726 OD2 ASP A 122 13.377 4.123 -2.950 1.00 0.00 O ATOM 0 H ASP A 122 12.084 0.669 -2.080 1.00 0.00 H new ATOM 0 HA ASP A 122 10.253 2.341 -3.409 1.00 0.00 H new ATOM 0 HB2 ASP A 122 13.079 1.528 -4.247 1.00 0.00 H new ATOM 0 HB3 ASP A 122 12.218 2.936 -4.837 1.00 0.00 H new ATOM 731 N GLU A 123 10.980 -0.398 -5.071 1.00 0.00 N ATOM 732 CA GLU A 123 10.554 -1.191 -6.259 1.00 0.00 C ATOM 733 C GLU A 123 9.127 -1.697 -6.042 1.00 0.00 C ATOM 734 O GLU A 123 8.337 -1.771 -6.962 1.00 0.00 O ATOM 735 CB GLU A 123 11.498 -2.381 -6.446 1.00 0.00 C ATOM 736 CG GLU A 123 11.452 -2.848 -7.901 1.00 0.00 C ATOM 737 CD GLU A 123 12.875 -2.921 -8.459 1.00 0.00 C ATOM 738 OE1 GLU A 123 13.369 -1.898 -8.906 1.00 0.00 O ATOM 739 OE2 GLU A 123 13.448 -3.998 -8.431 1.00 0.00 O ATOM 0 H GLU A 123 11.623 -0.873 -4.438 1.00 0.00 H new ATOM 0 HA GLU A 123 10.587 -0.563 -7.149 1.00 0.00 H new ATOM 0 HB2 GLU A 123 12.515 -2.097 -6.177 1.00 0.00 H new ATOM 0 HB3 GLU A 123 11.208 -3.196 -5.783 1.00 0.00 H new ATOM 0 HG2 GLU A 123 10.974 -3.826 -7.965 1.00 0.00 H new ATOM 0 HG3 GLU A 123 10.852 -2.160 -8.496 1.00 0.00 H new ATOM 746 N MET A 124 8.787 -2.036 -4.829 1.00 0.00 N ATOM 747 CA MET A 124 7.407 -2.523 -4.554 1.00 0.00 C ATOM 748 C MET A 124 6.437 -1.348 -4.684 1.00 0.00 C ATOM 749 O MET A 124 5.254 -1.520 -4.894 1.00 0.00 O ATOM 750 CB MET A 124 7.340 -3.102 -3.142 1.00 0.00 C ATOM 751 CG MET A 124 8.204 -4.363 -3.067 1.00 0.00 C ATOM 752 SD MET A 124 7.136 -5.820 -2.965 1.00 0.00 S ATOM 753 CE MET A 124 8.018 -6.834 -4.176 1.00 0.00 C ATOM 0 H MET A 124 9.404 -1.997 -4.018 1.00 0.00 H new ATOM 0 HA MET A 124 7.137 -3.302 -5.266 1.00 0.00 H new ATOM 0 HB2 MET A 124 7.689 -2.365 -2.418 1.00 0.00 H new ATOM 0 HB3 MET A 124 6.308 -3.339 -2.883 1.00 0.00 H new ATOM 0 HG2 MET A 124 8.846 -4.430 -3.946 1.00 0.00 H new ATOM 0 HG3 MET A 124 8.859 -4.317 -2.197 1.00 0.00 H new ATOM 0 HE1 MET A 124 7.322 -7.531 -4.643 1.00 0.00 H new ATOM 0 HE2 MET A 124 8.455 -6.191 -4.940 1.00 0.00 H new ATOM 0 HE3 MET A 124 8.810 -7.392 -3.676 1.00 0.00 H new ATOM 763 N ILE A 125 6.945 -0.153 -4.571 1.00 0.00 N ATOM 764 CA ILE A 125 6.086 1.047 -4.697 1.00 0.00 C ATOM 765 C ILE A 125 5.943 1.402 -6.175 1.00 0.00 C ATOM 766 O ILE A 125 4.883 1.736 -6.646 1.00 0.00 O ATOM 767 CB ILE A 125 6.739 2.211 -3.950 1.00 0.00 C ATOM 768 CG1 ILE A 125 6.534 2.010 -2.440 1.00 0.00 C ATOM 769 CG2 ILE A 125 6.098 3.530 -4.401 1.00 0.00 C ATOM 770 CD1 ILE A 125 6.566 3.357 -1.708 1.00 0.00 C ATOM 0 H ILE A 125 7.931 0.041 -4.395 1.00 0.00 H new ATOM 0 HA ILE A 125 5.102 0.849 -4.272 1.00 0.00 H new ATOM 0 HB ILE A 125 7.806 2.246 -4.168 1.00 0.00 H new ATOM 0 HG12 ILE A 125 5.580 1.514 -2.260 1.00 0.00 H new ATOM 0 HG13 ILE A 125 7.312 1.357 -2.045 1.00 0.00 H new ATOM 0 HG21 ILE A 125 6.562 4.361 -3.869 1.00 0.00 H new ATOM 0 HG22 ILE A 125 6.245 3.658 -5.473 1.00 0.00 H new ATOM 0 HG23 ILE A 125 5.031 3.510 -4.181 1.00 0.00 H new ATOM 0 HD11 ILE A 125 6.419 3.194 -0.640 1.00 0.00 H new ATOM 0 HD12 ILE A 125 7.530 3.838 -1.873 1.00 0.00 H new ATOM 0 HD13 ILE A 125 5.771 3.998 -2.090 1.00 0.00 H new ATOM 782 N ARG A 126 7.015 1.340 -6.905 1.00 0.00 N ATOM 783 CA ARG A 126 6.952 1.683 -8.352 1.00 0.00 C ATOM 784 C ARG A 126 5.779 0.946 -9.013 1.00 0.00 C ATOM 785 O ARG A 126 5.185 1.429 -9.957 1.00 0.00 O ATOM 786 CB ARG A 126 8.290 1.306 -9.024 1.00 0.00 C ATOM 787 CG ARG A 126 8.231 -0.099 -9.642 1.00 0.00 C ATOM 788 CD ARG A 126 9.456 -0.307 -10.535 1.00 0.00 C ATOM 789 NE ARG A 126 9.218 0.342 -11.855 1.00 0.00 N ATOM 790 CZ ARG A 126 9.658 -0.219 -12.947 1.00 0.00 C ATOM 791 NH1 ARG A 126 8.924 -1.099 -13.570 1.00 0.00 N ATOM 792 NH2 ARG A 126 10.832 0.102 -13.416 1.00 0.00 N ATOM 0 H ARG A 126 7.936 1.066 -6.564 1.00 0.00 H new ATOM 0 HA ARG A 126 6.790 2.754 -8.471 1.00 0.00 H new ATOM 0 HB2 ARG A 126 8.528 2.036 -9.798 1.00 0.00 H new ATOM 0 HB3 ARG A 126 9.093 1.348 -8.288 1.00 0.00 H new ATOM 0 HG2 ARG A 126 8.206 -0.854 -8.856 1.00 0.00 H new ATOM 0 HG3 ARG A 126 7.317 -0.215 -10.225 1.00 0.00 H new ATOM 0 HD2 ARG A 126 10.342 0.118 -10.062 1.00 0.00 H new ATOM 0 HD3 ARG A 126 9.646 -1.372 -10.669 1.00 0.00 H new ATOM 0 HE ARG A 126 8.711 1.225 -11.905 1.00 0.00 H new ATOM 0 HH11 ARG A 126 8.006 -1.349 -13.203 1.00 0.00 H new ATOM 0 HH12 ARG A 126 9.268 -1.538 -14.424 1.00 0.00 H new ATOM 0 HH21 ARG A 126 11.405 0.791 -12.929 1.00 0.00 H new ATOM 0 HH22 ARG A 126 11.177 -0.336 -14.270 1.00 0.00 H new ATOM 806 N GLU A 127 5.450 -0.224 -8.539 1.00 0.00 N ATOM 807 CA GLU A 127 4.328 -0.991 -9.158 1.00 0.00 C ATOM 808 C GLU A 127 3.004 -0.655 -8.463 1.00 0.00 C ATOM 809 O GLU A 127 1.941 -0.800 -9.034 1.00 0.00 O ATOM 810 CB GLU A 127 4.604 -2.491 -9.027 1.00 0.00 C ATOM 811 CG GLU A 127 6.112 -2.745 -9.096 1.00 0.00 C ATOM 812 CD GLU A 127 6.378 -4.252 -9.144 1.00 0.00 C ATOM 813 OE1 GLU A 127 6.308 -4.879 -8.099 1.00 0.00 O ATOM 814 OE2 GLU A 127 6.647 -4.751 -10.223 1.00 0.00 O ATOM 0 H GLU A 127 5.908 -0.683 -7.751 1.00 0.00 H new ATOM 0 HA GLU A 127 4.253 -0.718 -10.211 1.00 0.00 H new ATOM 0 HB2 GLU A 127 4.205 -2.863 -8.083 1.00 0.00 H new ATOM 0 HB3 GLU A 127 4.097 -3.035 -9.824 1.00 0.00 H new ATOM 0 HG2 GLU A 127 6.532 -2.263 -9.979 1.00 0.00 H new ATOM 0 HG3 GLU A 127 6.605 -2.306 -8.229 1.00 0.00 H new ATOM 821 N ALA A 128 3.055 -0.220 -7.235 1.00 0.00 N ATOM 822 CA ALA A 128 1.795 0.109 -6.506 1.00 0.00 C ATOM 823 C ALA A 128 1.214 1.420 -7.039 1.00 0.00 C ATOM 824 O ALA A 128 0.027 1.536 -7.279 1.00 0.00 O ATOM 825 CB ALA A 128 2.106 0.258 -5.016 1.00 0.00 C ATOM 0 H ALA A 128 3.914 -0.078 -6.703 1.00 0.00 H new ATOM 0 HA ALA A 128 1.068 -0.690 -6.655 1.00 0.00 H new ATOM 0 HB1 ALA A 128 1.191 0.499 -4.476 1.00 0.00 H new ATOM 0 HB2 ALA A 128 2.517 -0.677 -4.635 1.00 0.00 H new ATOM 0 HB3 ALA A 128 2.832 1.059 -4.874 1.00 0.00 H new ATOM 831 N ASP A 129 2.040 2.408 -7.218 1.00 0.00 N ATOM 832 CA ASP A 129 1.551 3.718 -7.726 1.00 0.00 C ATOM 833 C ASP A 129 1.528 3.701 -9.256 1.00 0.00 C ATOM 834 O ASP A 129 1.925 2.742 -9.886 1.00 0.00 O ATOM 835 CB ASP A 129 2.488 4.825 -7.241 1.00 0.00 C ATOM 836 CG ASP A 129 3.800 4.773 -8.027 1.00 0.00 C ATOM 837 OD1 ASP A 129 4.139 3.703 -8.505 1.00 0.00 O ATOM 838 OD2 ASP A 129 4.441 5.804 -8.138 1.00 0.00 O ATOM 0 H ASP A 129 3.042 2.365 -7.033 1.00 0.00 H new ATOM 0 HA ASP A 129 0.543 3.901 -7.355 1.00 0.00 H new ATOM 0 HB2 ASP A 129 2.014 5.798 -7.370 1.00 0.00 H new ATOM 0 HB3 ASP A 129 2.686 4.706 -6.176 1.00 0.00 H new ATOM 843 N ILE A 130 1.065 4.762 -9.854 1.00 0.00 N ATOM 844 CA ILE A 130 1.009 4.822 -11.336 1.00 0.00 C ATOM 845 C ILE A 130 2.350 5.309 -11.879 1.00 0.00 C ATOM 846 O ILE A 130 3.071 4.585 -12.535 1.00 0.00 O ATOM 847 CB ILE A 130 -0.091 5.797 -11.736 1.00 0.00 C ATOM 848 CG1 ILE A 130 -1.379 5.418 -11.006 1.00 0.00 C ATOM 849 CG2 ILE A 130 -0.315 5.737 -13.247 1.00 0.00 C ATOM 850 CD1 ILE A 130 -2.366 6.585 -11.064 1.00 0.00 C ATOM 0 H ILE A 130 0.721 5.594 -9.375 1.00 0.00 H new ATOM 0 HA ILE A 130 0.800 3.834 -11.745 1.00 0.00 H new ATOM 0 HB ILE A 130 0.201 6.811 -11.465 1.00 0.00 H new ATOM 0 HG12 ILE A 130 -1.821 4.532 -11.463 1.00 0.00 H new ATOM 0 HG13 ILE A 130 -1.160 5.166 -9.969 1.00 0.00 H new ATOM 0 HG21 ILE A 130 -1.103 6.437 -13.526 1.00 0.00 H new ATOM 0 HG22 ILE A 130 0.607 6.005 -13.762 1.00 0.00 H new ATOM 0 HG23 ILE A 130 -0.609 4.727 -13.531 1.00 0.00 H new ATOM 0 HD11 ILE A 130 -3.283 6.312 -10.543 1.00 0.00 H new ATOM 0 HD12 ILE A 130 -1.924 7.459 -10.587 1.00 0.00 H new ATOM 0 HD13 ILE A 130 -2.595 6.817 -12.104 1.00 0.00 H new ATOM 862 N ASP A 131 2.684 6.535 -11.608 1.00 0.00 N ATOM 863 CA ASP A 131 3.976 7.084 -12.102 1.00 0.00 C ATOM 864 C ASP A 131 4.150 8.516 -11.593 1.00 0.00 C ATOM 865 O ASP A 131 4.303 9.442 -12.363 1.00 0.00 O ATOM 866 CB ASP A 131 3.976 7.090 -13.631 1.00 0.00 C ATOM 867 CG ASP A 131 5.269 7.729 -14.141 1.00 0.00 C ATOM 868 OD1 ASP A 131 6.327 7.306 -13.705 1.00 0.00 O ATOM 869 OD2 ASP A 131 5.179 8.632 -14.956 1.00 0.00 O ATOM 0 H ASP A 131 2.117 7.185 -11.064 1.00 0.00 H new ATOM 0 HA ASP A 131 4.795 6.464 -11.738 1.00 0.00 H new ATOM 0 HB2 ASP A 131 3.888 6.071 -14.009 1.00 0.00 H new ATOM 0 HB3 ASP A 131 3.114 7.643 -14.003 1.00 0.00 H new ATOM 874 N GLY A 132 4.127 8.708 -10.303 1.00 0.00 N ATOM 875 CA GLY A 132 4.291 10.080 -9.758 1.00 0.00 C ATOM 876 C GLY A 132 5.748 10.299 -9.375 1.00 0.00 C ATOM 877 O GLY A 132 6.548 10.800 -10.140 1.00 0.00 O ATOM 0 H GLY A 132 4.002 7.974 -9.606 1.00 0.00 H new ATOM 0 HA2 GLY A 132 3.983 10.817 -10.499 1.00 0.00 H new ATOM 0 HA3 GLY A 132 3.650 10.217 -8.887 1.00 0.00 H new ATOM 881 N ASP A 133 6.081 9.928 -8.180 1.00 0.00 N ATOM 882 CA ASP A 133 7.480 10.101 -7.692 1.00 0.00 C ATOM 883 C ASP A 133 7.916 8.876 -6.893 1.00 0.00 C ATOM 884 O ASP A 133 9.089 8.584 -6.769 1.00 0.00 O ATOM 885 CB ASP A 133 7.545 11.324 -6.788 1.00 0.00 C ATOM 886 CG ASP A 133 6.345 11.324 -5.840 1.00 0.00 C ATOM 887 OD1 ASP A 133 5.233 11.449 -6.324 1.00 0.00 O ATOM 888 OD2 ASP A 133 6.560 11.199 -4.646 1.00 0.00 O ATOM 0 H ASP A 133 5.441 9.506 -7.507 1.00 0.00 H new ATOM 0 HA ASP A 133 8.141 10.226 -8.549 1.00 0.00 H new ATOM 0 HB2 ASP A 133 8.473 11.318 -6.216 1.00 0.00 H new ATOM 0 HB3 ASP A 133 7.547 12.233 -7.389 1.00 0.00 H new ATOM 893 N GLY A 134 6.980 8.167 -6.348 1.00 0.00 N ATOM 894 CA GLY A 134 7.323 6.958 -5.545 1.00 0.00 C ATOM 895 C GLY A 134 6.403 6.863 -4.322 1.00 0.00 C ATOM 896 O GLY A 134 6.777 6.334 -3.295 1.00 0.00 O ATOM 0 H GLY A 134 5.983 8.369 -6.421 1.00 0.00 H new ATOM 0 HA2 GLY A 134 7.220 6.063 -6.158 1.00 0.00 H new ATOM 0 HA3 GLY A 134 8.364 7.007 -5.225 1.00 0.00 H new ATOM 900 N GLN A 135 5.200 7.364 -4.423 1.00 0.00 N ATOM 901 CA GLN A 135 4.260 7.288 -3.270 1.00 0.00 C ATOM 902 C GLN A 135 3.025 6.496 -3.690 1.00 0.00 C ATOM 903 O GLN A 135 2.794 6.264 -4.859 1.00 0.00 O ATOM 904 CB GLN A 135 3.829 8.698 -2.856 1.00 0.00 C ATOM 905 CG GLN A 135 2.867 9.258 -3.903 1.00 0.00 C ATOM 906 CD GLN A 135 2.526 10.719 -3.582 1.00 0.00 C ATOM 907 OE1 GLN A 135 3.394 11.463 -2.950 1.00 0.00 O flip ATOM 908 NE2 GLN A 135 1.456 11.188 -3.913 1.00 0.00 N flip ATOM 0 H GLN A 135 4.829 7.822 -5.255 1.00 0.00 H new ATOM 0 HA GLN A 135 4.755 6.800 -2.431 1.00 0.00 H new ATOM 0 HB2 GLN A 135 3.346 8.671 -1.879 1.00 0.00 H new ATOM 0 HB3 GLN A 135 4.701 9.345 -2.763 1.00 0.00 H new ATOM 0 HG2 GLN A 135 3.317 9.191 -4.894 1.00 0.00 H new ATOM 0 HG3 GLN A 135 1.955 8.661 -3.926 1.00 0.00 H new ATOM 0 HE21 GLN A 135 0.776 10.609 -4.407 1.00 0.00 H new ATOM 0 HE22 GLN A 135 1.237 12.161 -3.697 1.00 0.00 H new ATOM 917 N VAL A 136 2.216 6.101 -2.753 1.00 0.00 N ATOM 918 CA VAL A 136 0.988 5.350 -3.109 1.00 0.00 C ATOM 919 C VAL A 136 -0.220 6.151 -2.627 1.00 0.00 C ATOM 920 O VAL A 136 -0.098 7.042 -1.816 1.00 0.00 O ATOM 921 CB VAL A 136 1.014 3.974 -2.438 1.00 0.00 C ATOM 922 CG1 VAL A 136 -0.337 3.287 -2.637 1.00 0.00 C ATOM 923 CG2 VAL A 136 2.119 3.119 -3.070 1.00 0.00 C ATOM 0 H VAL A 136 2.353 6.266 -1.756 1.00 0.00 H new ATOM 0 HA VAL A 136 0.929 5.207 -4.188 1.00 0.00 H new ATOM 0 HB VAL A 136 1.210 4.092 -1.372 1.00 0.00 H new ATOM 0 HG11 VAL A 136 -0.321 2.307 -2.160 1.00 0.00 H new ATOM 0 HG12 VAL A 136 -1.124 3.895 -2.190 1.00 0.00 H new ATOM 0 HG13 VAL A 136 -0.531 3.168 -3.703 1.00 0.00 H new ATOM 0 HG21 VAL A 136 2.138 2.139 -2.593 1.00 0.00 H new ATOM 0 HG22 VAL A 136 1.923 3.000 -4.136 1.00 0.00 H new ATOM 0 HG23 VAL A 136 3.083 3.609 -2.931 1.00 0.00 H new ATOM 933 N ASN A 137 -1.381 5.855 -3.124 1.00 0.00 N ATOM 934 CA ASN A 137 -2.584 6.613 -2.691 1.00 0.00 C ATOM 935 C ASN A 137 -3.750 5.636 -2.569 1.00 0.00 C ATOM 936 O ASN A 137 -3.554 4.442 -2.525 1.00 0.00 O ATOM 937 CB ASN A 137 -2.890 7.694 -3.721 1.00 0.00 C ATOM 938 CG ASN A 137 -3.698 8.818 -3.071 1.00 0.00 C ATOM 939 OD1 ASN A 137 -3.220 9.425 -2.020 1.00 0.00 O flip ATOM 940 ND2 ASN A 137 -4.775 9.147 -3.526 1.00 0.00 N flip ATOM 0 H ASN A 137 -1.552 5.121 -3.812 1.00 0.00 H new ATOM 0 HA ASN A 137 -2.415 7.092 -1.727 1.00 0.00 H new ATOM 0 HB2 ASN A 137 -1.961 8.092 -4.131 1.00 0.00 H new ATOM 0 HB3 ASN A 137 -3.449 7.267 -4.554 1.00 0.00 H new ATOM 0 HD21 ASN A 137 -5.148 8.672 -4.348 1.00 0.00 H new ATOM 0 HD22 ASN A 137 -5.306 9.898 -3.086 1.00 0.00 H new ATOM 947 N TYR A 138 -4.958 6.113 -2.505 1.00 0.00 N ATOM 948 CA TYR A 138 -6.103 5.175 -2.375 1.00 0.00 C ATOM 949 C TYR A 138 -6.411 4.528 -3.728 1.00 0.00 C ATOM 950 O TYR A 138 -6.545 3.326 -3.828 1.00 0.00 O ATOM 951 CB TYR A 138 -7.330 5.934 -1.880 1.00 0.00 C ATOM 952 CG TYR A 138 -8.477 4.969 -1.758 1.00 0.00 C ATOM 953 CD1 TYR A 138 -8.397 3.926 -0.834 1.00 0.00 C ATOM 954 CD2 TYR A 138 -9.608 5.106 -2.568 1.00 0.00 C ATOM 955 CE1 TYR A 138 -9.450 3.014 -0.712 1.00 0.00 C ATOM 956 CE2 TYR A 138 -10.665 4.194 -2.448 1.00 0.00 C ATOM 957 CZ TYR A 138 -10.585 3.147 -1.521 1.00 0.00 C ATOM 958 OH TYR A 138 -11.626 2.250 -1.403 1.00 0.00 O ATOM 0 H TYR A 138 -5.202 7.103 -2.537 1.00 0.00 H new ATOM 0 HA TYR A 138 -5.843 4.394 -1.660 1.00 0.00 H new ATOM 0 HB2 TYR A 138 -7.123 6.399 -0.916 1.00 0.00 H new ATOM 0 HB3 TYR A 138 -7.583 6.736 -2.573 1.00 0.00 H new ATOM 0 HD1 TYR A 138 -7.520 3.823 -0.212 1.00 0.00 H new ATOM 0 HD2 TYR A 138 -9.667 5.912 -3.284 1.00 0.00 H new ATOM 0 HE1 TYR A 138 -9.388 2.209 0.005 1.00 0.00 H new ATOM 0 HE2 TYR A 138 -11.541 4.298 -3.070 1.00 0.00 H new ATOM 0 HH TYR A 138 -12.335 2.487 -2.036 1.00 0.00 H new ATOM 968 N GLU A 139 -6.531 5.306 -4.769 1.00 0.00 N ATOM 969 CA GLU A 139 -6.836 4.716 -6.103 1.00 0.00 C ATOM 970 C GLU A 139 -5.667 3.841 -6.556 1.00 0.00 C ATOM 971 O GLU A 139 -5.840 2.880 -7.278 1.00 0.00 O ATOM 972 CB GLU A 139 -7.060 5.835 -7.123 1.00 0.00 C ATOM 973 CG GLU A 139 -7.355 5.223 -8.495 1.00 0.00 C ATOM 974 CD GLU A 139 -8.863 5.013 -8.650 1.00 0.00 C ATOM 975 OE1 GLU A 139 -9.602 5.534 -7.830 1.00 0.00 O ATOM 976 OE2 GLU A 139 -9.253 4.337 -9.587 1.00 0.00 O ATOM 0 H GLU A 139 -6.431 6.321 -4.754 1.00 0.00 H new ATOM 0 HA GLU A 139 -7.738 4.108 -6.029 1.00 0.00 H new ATOM 0 HB2 GLU A 139 -7.890 6.467 -6.809 1.00 0.00 H new ATOM 0 HB3 GLU A 139 -6.178 6.472 -7.179 1.00 0.00 H new ATOM 0 HG2 GLU A 139 -6.986 5.879 -9.284 1.00 0.00 H new ATOM 0 HG3 GLU A 139 -6.832 4.272 -8.600 1.00 0.00 H new ATOM 983 N GLU A 140 -4.475 4.159 -6.131 1.00 0.00 N ATOM 984 CA GLU A 140 -3.303 3.337 -6.534 1.00 0.00 C ATOM 985 C GLU A 140 -3.184 2.147 -5.583 1.00 0.00 C ATOM 986 O GLU A 140 -2.771 1.070 -5.963 1.00 0.00 O ATOM 987 CB GLU A 140 -2.034 4.186 -6.459 1.00 0.00 C ATOM 988 CG GLU A 140 -2.322 5.582 -7.018 1.00 0.00 C ATOM 989 CD GLU A 140 -1.096 6.475 -6.822 1.00 0.00 C ATOM 990 OE1 GLU A 140 -0.640 6.584 -5.695 1.00 0.00 O ATOM 991 OE2 GLU A 140 -0.634 7.035 -7.803 1.00 0.00 O ATOM 0 H GLU A 140 -4.264 4.951 -5.524 1.00 0.00 H new ATOM 0 HA GLU A 140 -3.433 2.980 -7.556 1.00 0.00 H new ATOM 0 HB2 GLU A 140 -1.693 4.259 -5.426 1.00 0.00 H new ATOM 0 HB3 GLU A 140 -1.233 3.713 -7.027 1.00 0.00 H new ATOM 0 HG2 GLU A 140 -2.571 5.517 -8.077 1.00 0.00 H new ATOM 0 HG3 GLU A 140 -3.185 6.016 -6.513 1.00 0.00 H new ATOM 998 N PHE A 141 -3.555 2.338 -4.347 1.00 0.00 N ATOM 999 CA PHE A 141 -3.481 1.230 -3.358 1.00 0.00 C ATOM 1000 C PHE A 141 -4.571 0.205 -3.673 1.00 0.00 C ATOM 1001 O PHE A 141 -4.457 -0.956 -3.343 1.00 0.00 O ATOM 1002 CB PHE A 141 -3.704 1.801 -1.957 1.00 0.00 C ATOM 1003 CG PHE A 141 -3.997 0.685 -0.982 1.00 0.00 C ATOM 1004 CD1 PHE A 141 -2.948 -0.072 -0.447 1.00 0.00 C ATOM 1005 CD2 PHE A 141 -5.320 0.414 -0.608 1.00 0.00 C ATOM 1006 CE1 PHE A 141 -3.222 -1.103 0.460 1.00 0.00 C ATOM 1007 CE2 PHE A 141 -5.592 -0.617 0.300 1.00 0.00 C ATOM 1008 CZ PHE A 141 -4.543 -1.375 0.835 1.00 0.00 C ATOM 0 H PHE A 141 -3.909 3.221 -3.979 1.00 0.00 H new ATOM 0 HA PHE A 141 -2.504 0.748 -3.406 1.00 0.00 H new ATOM 0 HB2 PHE A 141 -2.820 2.352 -1.636 1.00 0.00 H new ATOM 0 HB3 PHE A 141 -4.533 2.508 -1.972 1.00 0.00 H new ATOM 0 HD1 PHE A 141 -1.928 0.139 -0.734 1.00 0.00 H new ATOM 0 HD2 PHE A 141 -6.129 0.999 -1.019 1.00 0.00 H new ATOM 0 HE1 PHE A 141 -2.413 -1.689 0.871 1.00 0.00 H new ATOM 0 HE2 PHE A 141 -6.611 -0.828 0.588 1.00 0.00 H new ATOM 0 HZ PHE A 141 -4.753 -2.169 1.536 1.00 0.00 H new ATOM 1018 N VAL A 142 -5.629 0.632 -4.303 1.00 0.00 N ATOM 1019 CA VAL A 142 -6.735 -0.307 -4.641 1.00 0.00 C ATOM 1020 C VAL A 142 -6.203 -1.417 -5.554 1.00 0.00 C ATOM 1021 O VAL A 142 -6.460 -2.586 -5.339 1.00 0.00 O ATOM 1022 CB VAL A 142 -7.853 0.463 -5.355 1.00 0.00 C ATOM 1023 CG1 VAL A 142 -8.792 -0.516 -6.066 1.00 0.00 C ATOM 1024 CG2 VAL A 142 -8.652 1.265 -4.325 1.00 0.00 C ATOM 0 H VAL A 142 -5.776 1.597 -4.600 1.00 0.00 H new ATOM 0 HA VAL A 142 -7.130 -0.753 -3.728 1.00 0.00 H new ATOM 0 HB VAL A 142 -7.410 1.136 -6.090 1.00 0.00 H new ATOM 0 HG11 VAL A 142 -9.583 0.039 -6.570 1.00 0.00 H new ATOM 0 HG12 VAL A 142 -8.229 -1.092 -6.800 1.00 0.00 H new ATOM 0 HG13 VAL A 142 -9.234 -1.193 -5.335 1.00 0.00 H new ATOM 0 HG21 VAL A 142 -9.448 1.814 -4.829 1.00 0.00 H new ATOM 0 HG22 VAL A 142 -9.087 0.585 -3.593 1.00 0.00 H new ATOM 0 HG23 VAL A 142 -7.991 1.968 -3.819 1.00 0.00 H new ATOM 1034 N GLN A 143 -5.466 -1.063 -6.570 1.00 0.00 N ATOM 1035 CA GLN A 143 -4.923 -2.099 -7.494 1.00 0.00 C ATOM 1036 C GLN A 143 -3.945 -3.003 -6.741 1.00 0.00 C ATOM 1037 O GLN A 143 -3.859 -4.188 -6.996 1.00 0.00 O ATOM 1038 CB GLN A 143 -4.191 -1.418 -8.650 1.00 0.00 C ATOM 1039 CG GLN A 143 -5.211 -0.761 -9.581 1.00 0.00 C ATOM 1040 CD GLN A 143 -4.813 -1.020 -11.036 1.00 0.00 C ATOM 1041 OE1 GLN A 143 -4.325 -0.136 -11.711 1.00 0.00 O ATOM 1042 NE2 GLN A 143 -5.002 -2.205 -11.549 1.00 0.00 N ATOM 0 H GLN A 143 -5.216 -0.101 -6.801 1.00 0.00 H new ATOM 0 HA GLN A 143 -5.746 -2.699 -7.882 1.00 0.00 H new ATOM 0 HB2 GLN A 143 -3.498 -0.669 -8.266 1.00 0.00 H new ATOM 0 HB3 GLN A 143 -3.598 -2.149 -9.200 1.00 0.00 H new ATOM 0 HG2 GLN A 143 -6.206 -1.161 -9.388 1.00 0.00 H new ATOM 0 HG3 GLN A 143 -5.256 0.311 -9.390 1.00 0.00 H new ATOM 0 HE21 GLN A 143 -5.412 -2.947 -10.982 1.00 0.00 H new ATOM 0 HE22 GLN A 143 -4.740 -2.389 -12.517 1.00 0.00 H new ATOM 1051 N MET A 144 -3.201 -2.453 -5.821 1.00 0.00 N ATOM 1052 CA MET A 144 -2.222 -3.280 -5.060 1.00 0.00 C ATOM 1053 C MET A 144 -2.931 -3.987 -3.901 1.00 0.00 C ATOM 1054 O MET A 144 -2.389 -4.881 -3.284 1.00 0.00 O ATOM 1055 CB MET A 144 -1.120 -2.375 -4.509 1.00 0.00 C ATOM 1056 CG MET A 144 -0.222 -3.180 -3.569 1.00 0.00 C ATOM 1057 SD MET A 144 -0.592 -2.736 -1.854 1.00 0.00 S ATOM 1058 CE MET A 144 -0.163 -0.983 -1.973 1.00 0.00 C ATOM 0 H MET A 144 -3.229 -1.466 -5.563 1.00 0.00 H new ATOM 0 HA MET A 144 -1.786 -4.028 -5.722 1.00 0.00 H new ATOM 0 HB2 MET A 144 -0.530 -1.962 -5.328 1.00 0.00 H new ATOM 0 HB3 MET A 144 -1.560 -1.532 -3.976 1.00 0.00 H new ATOM 0 HG2 MET A 144 -0.381 -4.247 -3.722 1.00 0.00 H new ATOM 0 HG3 MET A 144 0.826 -2.979 -3.790 1.00 0.00 H new ATOM 0 HE1 MET A 144 0.129 -0.612 -0.991 1.00 0.00 H new ATOM 0 HE2 MET A 144 0.666 -0.858 -2.670 1.00 0.00 H new ATOM 0 HE3 MET A 144 -1.026 -0.421 -2.331 1.00 0.00 H new ATOM 1068 N MET A 145 -4.137 -3.591 -3.601 1.00 0.00 N ATOM 1069 CA MET A 145 -4.877 -4.236 -2.488 1.00 0.00 C ATOM 1070 C MET A 145 -5.510 -5.533 -2.989 1.00 0.00 C ATOM 1071 O MET A 145 -5.125 -6.617 -2.595 1.00 0.00 O ATOM 1072 CB MET A 145 -5.973 -3.289 -1.993 1.00 0.00 C ATOM 1073 CG MET A 145 -6.543 -3.809 -0.671 1.00 0.00 C ATOM 1074 SD MET A 145 -7.879 -4.983 -1.008 1.00 0.00 S ATOM 1075 CE MET A 145 -8.805 -4.714 0.524 1.00 0.00 C ATOM 0 H MET A 145 -4.641 -2.846 -4.082 1.00 0.00 H new ATOM 0 HA MET A 145 -4.192 -4.458 -1.670 1.00 0.00 H new ATOM 0 HB2 MET A 145 -5.567 -2.287 -1.856 1.00 0.00 H new ATOM 0 HB3 MET A 145 -6.766 -3.213 -2.737 1.00 0.00 H new ATOM 0 HG2 MET A 145 -5.758 -4.293 -0.090 1.00 0.00 H new ATOM 0 HG3 MET A 145 -6.917 -2.978 -0.073 1.00 0.00 H new ATOM 0 HE1 MET A 145 -9.870 -4.851 0.334 1.00 0.00 H new ATOM 0 HE2 MET A 145 -8.476 -5.429 1.278 1.00 0.00 H new ATOM 0 HE3 MET A 145 -8.628 -3.700 0.883 1.00 0.00 H new ATOM 1085 N THR A 146 -6.475 -5.430 -3.858 1.00 0.00 N ATOM 1086 CA THR A 146 -7.131 -6.654 -4.392 1.00 0.00 C ATOM 1087 C THR A 146 -6.093 -7.505 -5.123 1.00 0.00 C ATOM 1088 O THR A 146 -5.505 -8.406 -4.559 1.00 0.00 O ATOM 1089 CB THR A 146 -8.235 -6.249 -5.371 1.00 0.00 C ATOM 1090 OG1 THR A 146 -7.852 -5.058 -6.044 1.00 0.00 O ATOM 1091 CG2 THR A 146 -9.537 -6.009 -4.605 1.00 0.00 C ATOM 0 H THR A 146 -6.838 -4.549 -4.222 1.00 0.00 H new ATOM 0 HA THR A 146 -7.562 -7.228 -3.571 1.00 0.00 H new ATOM 0 HB THR A 146 -8.388 -7.046 -6.099 1.00 0.00 H new ATOM 0 HG1 THR A 146 -8.557 -4.797 -6.673 1.00 0.00 H new ATOM 0 HG21 THR A 146 -10.322 -5.721 -5.304 1.00 0.00 H new ATOM 0 HG22 THR A 146 -9.829 -6.923 -4.088 1.00 0.00 H new ATOM 0 HG23 THR A 146 -9.389 -5.212 -3.876 1.00 0.00 H new