USER MOD reduce.3.24.130724 H: found=0, std=0, add=439, rem=0, adj=13 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 107 HIS :FLIP no HE2:sc= -0.991 F(o=-8.9!,f=-5.8) USER MOD Set 1.2: A 111 ASN : amide:sc= -4.77! C(o=-5.8!,f=-13!) USER MOD Single : A 97 ASN : amide:sc= -0.182 X(o=-0.18,f=-0.033) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= -0.621 USER MOD Single : A 109 MET CE :methyl 165:sc= -2.01! (180deg=-3.18!) USER MOD Single : A 110 THR OG1 : rot 104:sc= 0.798 USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 THR OG1 : rot 167:sc= -4.27! USER MOD Single : A 124 MET CE :methyl -171:sc= -0.651 (180deg=-0.786) USER MOD Single : A 135 GLN : amide:sc= -2.83! C(o=-2.8!,f=-4!) USER MOD Single : A 137 ASN :FLIP amide:sc= -0.929 F(o=-4.9!,f=-0.93) USER MOD Single : A 138 TYR OH : rot 158:sc= -6.26! USER MOD Single : A 143 GLN :FLIP amide:sc= -0.0559 F(o=-0.67,f=-0.056) USER MOD Single : A 144 MET CE :methyl -127:sc= -16.1! (180deg=-19.8!) USER MOD Single : A 145 MET CE :methyl 162:sc= -10.4! (180deg=-13.4!) USER MOD Single : A 146 THR OG1 : rot -43:sc= 0.928 USER MOD ----------------------------------------------------------------- ATOM 91 N GLU A 82 -6.478 -3.937 -7.190 1.00 0.00 N ATOM 92 CA GLU A 82 -6.545 -2.955 -6.071 1.00 0.00 C ATOM 93 C GLU A 82 -7.993 -2.808 -5.607 1.00 0.00 C ATOM 94 O GLU A 82 -8.278 -2.121 -4.647 1.00 0.00 O ATOM 95 CB GLU A 82 -6.017 -1.594 -6.534 1.00 0.00 C ATOM 96 CG GLU A 82 -4.942 -1.797 -7.604 1.00 0.00 C ATOM 97 CD GLU A 82 -4.206 -0.478 -7.847 1.00 0.00 C ATOM 98 OE1 GLU A 82 -4.179 0.338 -6.941 1.00 0.00 O ATOM 99 OE2 GLU A 82 -3.682 -0.307 -8.935 1.00 0.00 O ATOM 0 HA GLU A 82 -5.930 -3.314 -5.246 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -6.834 -0.993 -6.934 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -5.603 -1.046 -5.688 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -4.237 -2.565 -7.285 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -5.398 -2.147 -8.530 1.00 0.00 H new ATOM 106 N GLU A 83 -8.915 -3.449 -6.274 1.00 0.00 N ATOM 107 CA GLU A 83 -10.338 -3.337 -5.851 1.00 0.00 C ATOM 108 C GLU A 83 -10.419 -3.501 -4.331 1.00 0.00 C ATOM 109 O GLU A 83 -11.182 -2.832 -3.661 1.00 0.00 O ATOM 110 CB GLU A 83 -11.170 -4.416 -6.552 1.00 0.00 C ATOM 111 CG GLU A 83 -11.001 -5.747 -5.826 1.00 0.00 C ATOM 112 CD GLU A 83 -11.896 -6.805 -6.473 1.00 0.00 C ATOM 113 OE1 GLU A 83 -13.046 -6.495 -6.742 1.00 0.00 O ATOM 114 OE2 GLU A 83 -11.419 -7.906 -6.687 1.00 0.00 O ATOM 0 H GLU A 83 -8.745 -4.041 -7.087 1.00 0.00 H new ATOM 0 HA GLU A 83 -10.735 -2.360 -6.128 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -12.221 -4.128 -6.564 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -10.855 -4.515 -7.591 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -9.959 -6.064 -5.866 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -11.259 -5.633 -4.773 1.00 0.00 H new ATOM 121 N GLU A 84 -9.630 -4.385 -3.783 1.00 0.00 N ATOM 122 CA GLU A 84 -9.648 -4.593 -2.309 1.00 0.00 C ATOM 123 C GLU A 84 -8.461 -3.859 -1.678 1.00 0.00 C ATOM 124 O GLU A 84 -8.438 -3.606 -0.490 1.00 0.00 O ATOM 125 CB GLU A 84 -9.542 -6.089 -2.004 1.00 0.00 C ATOM 126 CG GLU A 84 -10.671 -6.496 -1.054 1.00 0.00 C ATOM 127 CD GLU A 84 -10.433 -7.924 -0.561 1.00 0.00 C ATOM 128 OE1 GLU A 84 -9.727 -8.653 -1.236 1.00 0.00 O ATOM 129 OE2 GLU A 84 -10.961 -8.263 0.486 1.00 0.00 O ATOM 0 H GLU A 84 -8.972 -4.973 -4.295 1.00 0.00 H new ATOM 0 HA GLU A 84 -10.579 -4.203 -1.897 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -9.604 -6.665 -2.927 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -8.575 -6.312 -1.553 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -10.714 -5.810 -0.208 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -11.632 -6.432 -1.565 1.00 0.00 H new ATOM 136 N ILE A 85 -7.476 -3.514 -2.463 1.00 0.00 N ATOM 137 CA ILE A 85 -6.293 -2.797 -1.906 1.00 0.00 C ATOM 138 C ILE A 85 -6.717 -1.416 -1.414 1.00 0.00 C ATOM 139 O ILE A 85 -6.533 -1.072 -0.263 1.00 0.00 O ATOM 140 CB ILE A 85 -5.230 -2.622 -2.990 1.00 0.00 C ATOM 141 CG1 ILE A 85 -4.683 -3.991 -3.402 1.00 0.00 C ATOM 142 CG2 ILE A 85 -4.094 -1.761 -2.438 1.00 0.00 C ATOM 143 CD1 ILE A 85 -3.754 -3.829 -4.606 1.00 0.00 C ATOM 0 H ILE A 85 -7.439 -3.698 -3.466 1.00 0.00 H new ATOM 0 HA ILE A 85 -5.886 -3.381 -1.081 1.00 0.00 H new ATOM 0 HB ILE A 85 -5.670 -2.137 -3.861 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -4.142 -4.443 -2.571 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -5.505 -4.663 -3.651 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -3.330 -1.631 -3.205 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -4.485 -0.786 -2.146 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -3.655 -2.251 -1.569 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -3.365 -4.804 -4.899 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -4.309 -3.395 -5.438 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -2.925 -3.172 -4.341 1.00 0.00 H new ATOM 155 N ARG A 86 -7.271 -0.616 -2.280 1.00 0.00 N ATOM 156 CA ARG A 86 -7.690 0.744 -1.865 1.00 0.00 C ATOM 157 C ARG A 86 -8.597 0.636 -0.636 1.00 0.00 C ATOM 158 O ARG A 86 -8.472 1.390 0.307 1.00 0.00 O ATOM 159 CB ARG A 86 -8.400 1.441 -3.048 1.00 0.00 C ATOM 160 CG ARG A 86 -9.842 1.831 -2.691 1.00 0.00 C ATOM 161 CD ARG A 86 -9.843 3.064 -1.780 1.00 0.00 C ATOM 162 NE ARG A 86 -9.401 4.256 -2.557 1.00 0.00 N ATOM 163 CZ ARG A 86 -10.158 4.734 -3.506 1.00 0.00 C ATOM 164 NH1 ARG A 86 -11.362 5.155 -3.229 1.00 0.00 N ATOM 165 NH2 ARG A 86 -9.711 4.793 -4.729 1.00 0.00 N ATOM 0 H ARG A 86 -7.451 -0.848 -3.257 1.00 0.00 H new ATOM 0 HA ARG A 86 -6.825 1.348 -1.592 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -7.842 2.332 -3.334 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -8.405 0.777 -3.912 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -10.406 2.040 -3.600 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -10.339 0.999 -2.191 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -10.842 3.230 -1.376 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -9.178 2.903 -0.931 1.00 0.00 H new ATOM 0 HE ARG A 86 -8.506 4.698 -2.347 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -11.710 5.110 -2.271 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -11.955 5.529 -3.970 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -8.769 4.465 -4.944 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -10.303 5.167 -5.471 1.00 0.00 H new ATOM 179 N GLU A 87 -9.495 -0.309 -0.629 1.00 0.00 N ATOM 180 CA GLU A 87 -10.383 -0.465 0.550 1.00 0.00 C ATOM 181 C GLU A 87 -9.504 -0.777 1.757 1.00 0.00 C ATOM 182 O GLU A 87 -9.758 -0.342 2.863 1.00 0.00 O ATOM 183 CB GLU A 87 -11.362 -1.615 0.304 1.00 0.00 C ATOM 184 CG GLU A 87 -12.094 -1.952 1.601 1.00 0.00 C ATOM 185 CD GLU A 87 -13.168 -0.897 1.870 1.00 0.00 C ATOM 186 OE1 GLU A 87 -13.115 0.148 1.241 1.00 0.00 O ATOM 187 OE2 GLU A 87 -14.026 -1.150 2.699 1.00 0.00 O ATOM 0 H GLU A 87 -9.650 -0.975 -1.385 1.00 0.00 H new ATOM 0 HA GLU A 87 -10.955 0.446 0.725 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -12.079 -1.336 -0.468 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -10.825 -2.491 -0.061 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -12.550 -2.940 1.528 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -11.388 -1.987 2.431 1.00 0.00 H new ATOM 194 N ALA A 88 -8.453 -1.516 1.535 1.00 0.00 N ATOM 195 CA ALA A 88 -7.520 -1.854 2.640 1.00 0.00 C ATOM 196 C ALA A 88 -6.351 -0.871 2.597 1.00 0.00 C ATOM 197 O ALA A 88 -5.238 -1.218 2.257 1.00 0.00 O ATOM 198 CB ALA A 88 -7.010 -3.278 2.448 1.00 0.00 C ATOM 0 H ALA A 88 -8.200 -1.903 0.626 1.00 0.00 H new ATOM 0 HA ALA A 88 -8.026 -1.786 3.603 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -6.324 -3.531 3.257 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -7.852 -3.970 2.456 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -6.488 -3.352 1.494 1.00 0.00 H new ATOM 204 N PHE A 89 -6.621 0.359 2.930 1.00 0.00 N ATOM 205 CA PHE A 89 -5.579 1.427 2.915 1.00 0.00 C ATOM 206 C PHE A 89 -6.310 2.767 3.027 1.00 0.00 C ATOM 207 O PHE A 89 -5.773 3.749 3.498 1.00 0.00 O ATOM 208 CB PHE A 89 -4.784 1.392 1.598 1.00 0.00 C ATOM 209 CG PHE A 89 -3.315 1.640 1.874 1.00 0.00 C ATOM 210 CD1 PHE A 89 -2.702 1.082 3.002 1.00 0.00 C ATOM 211 CD2 PHE A 89 -2.563 2.435 0.999 1.00 0.00 C ATOM 212 CE1 PHE A 89 -1.345 1.319 3.253 1.00 0.00 C ATOM 213 CE2 PHE A 89 -1.209 2.672 1.250 1.00 0.00 C ATOM 214 CZ PHE A 89 -0.598 2.114 2.377 1.00 0.00 C ATOM 0 H PHE A 89 -7.545 0.679 3.220 1.00 0.00 H new ATOM 0 HA PHE A 89 -4.878 1.281 3.737 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -4.913 0.425 1.111 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -5.167 2.148 0.912 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -3.277 0.468 3.680 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -3.032 2.866 0.127 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -0.874 0.888 4.124 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -0.634 3.287 0.573 1.00 0.00 H new ATOM 0 HZ PHE A 89 0.449 2.296 2.571 1.00 0.00 H new ATOM 224 N ARG A 90 -7.554 2.797 2.609 1.00 0.00 N ATOM 225 CA ARG A 90 -8.353 4.039 2.697 1.00 0.00 C ATOM 226 C ARG A 90 -8.520 4.386 4.163 1.00 0.00 C ATOM 227 O ARG A 90 -8.766 5.518 4.530 1.00 0.00 O ATOM 228 CB ARG A 90 -9.729 3.799 2.074 1.00 0.00 C ATOM 229 CG ARG A 90 -10.526 2.831 2.952 1.00 0.00 C ATOM 230 CD ARG A 90 -11.973 2.764 2.461 1.00 0.00 C ATOM 231 NE ARG A 90 -11.999 2.844 0.973 1.00 0.00 N ATOM 232 CZ ARG A 90 -12.877 3.602 0.375 1.00 0.00 C ATOM 233 NH1 ARG A 90 -12.900 4.884 0.616 1.00 0.00 N ATOM 234 NH2 ARG A 90 -13.729 3.079 -0.462 1.00 0.00 N ATOM 0 H ARG A 90 -8.046 1.999 2.207 1.00 0.00 H new ATOM 0 HA ARG A 90 -7.856 4.852 2.167 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -10.265 4.743 1.976 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -9.619 3.389 1.070 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -10.074 1.839 2.920 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -10.499 3.160 3.991 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -12.438 1.836 2.794 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -12.552 3.582 2.890 1.00 0.00 H new ATOM 0 HE ARG A 90 -11.330 2.306 0.422 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -12.233 5.292 1.271 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -13.585 5.478 0.150 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -13.710 2.077 -0.650 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -14.415 3.672 -0.929 1.00 0.00 H new ATOM 248 N VAL A 91 -8.390 3.404 5.004 1.00 0.00 N ATOM 249 CA VAL A 91 -8.539 3.644 6.454 1.00 0.00 C ATOM 250 C VAL A 91 -7.781 4.916 6.824 1.00 0.00 C ATOM 251 O VAL A 91 -8.145 5.630 7.738 1.00 0.00 O ATOM 252 CB VAL A 91 -7.969 2.455 7.226 1.00 0.00 C ATOM 253 CG1 VAL A 91 -8.062 2.730 8.727 1.00 0.00 C ATOM 254 CG2 VAL A 91 -8.775 1.203 6.877 1.00 0.00 C ATOM 0 H VAL A 91 -8.185 2.439 4.744 1.00 0.00 H new ATOM 0 HA VAL A 91 -9.593 3.760 6.708 1.00 0.00 H new ATOM 0 HB VAL A 91 -6.924 2.303 6.956 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -7.655 1.882 9.278 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -7.492 3.627 8.969 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -9.105 2.877 9.006 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -8.375 0.349 7.424 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -9.819 1.354 7.152 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -8.706 1.013 5.806 1.00 0.00 H new ATOM 264 N PHE A 92 -6.728 5.200 6.114 1.00 0.00 N ATOM 265 CA PHE A 92 -5.933 6.415 6.404 1.00 0.00 C ATOM 266 C PHE A 92 -6.178 7.453 5.303 1.00 0.00 C ATOM 267 O PHE A 92 -6.329 8.630 5.567 1.00 0.00 O ATOM 268 CB PHE A 92 -4.459 6.018 6.458 1.00 0.00 C ATOM 269 CG PHE A 92 -4.316 4.842 7.398 1.00 0.00 C ATOM 270 CD1 PHE A 92 -4.426 5.034 8.781 1.00 0.00 C ATOM 271 CD2 PHE A 92 -4.089 3.556 6.889 1.00 0.00 C ATOM 272 CE1 PHE A 92 -4.306 3.944 9.654 1.00 0.00 C ATOM 273 CE2 PHE A 92 -3.971 2.467 7.764 1.00 0.00 C ATOM 274 CZ PHE A 92 -4.078 2.660 9.145 1.00 0.00 C ATOM 0 H PHE A 92 -6.383 4.635 5.338 1.00 0.00 H new ATOM 0 HA PHE A 92 -6.224 6.853 7.359 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -4.101 5.754 5.463 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -3.853 6.856 6.803 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -4.604 6.024 9.175 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -4.005 3.404 5.823 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -4.389 4.095 10.720 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -3.797 1.476 7.371 1.00 0.00 H new ATOM 0 HZ PHE A 92 -3.985 1.820 9.817 1.00 0.00 H new ATOM 284 N ASP A 93 -6.241 7.023 4.070 1.00 0.00 N ATOM 285 CA ASP A 93 -6.500 7.976 2.953 1.00 0.00 C ATOM 286 C ASP A 93 -8.013 8.059 2.714 1.00 0.00 C ATOM 287 O ASP A 93 -8.476 8.259 1.609 1.00 0.00 O ATOM 288 CB ASP A 93 -5.804 7.478 1.683 1.00 0.00 C ATOM 289 CG ASP A 93 -6.221 8.346 0.491 1.00 0.00 C ATOM 290 OD1 ASP A 93 -6.369 9.541 0.677 1.00 0.00 O ATOM 291 OD2 ASP A 93 -6.390 7.797 -0.585 1.00 0.00 O ATOM 0 H ASP A 93 -6.124 6.050 3.789 1.00 0.00 H new ATOM 0 HA ASP A 93 -6.112 8.962 3.209 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -4.722 7.515 1.811 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -6.067 6.437 1.497 1.00 0.00 H new ATOM 337 N ASN A 97 -5.011 11.846 1.020 1.00 0.00 N ATOM 338 CA ASN A 97 -4.214 12.033 -0.230 1.00 0.00 C ATOM 339 C ASN A 97 -3.960 10.696 -0.934 1.00 0.00 C ATOM 340 O ASN A 97 -3.864 10.635 -2.143 1.00 0.00 O ATOM 341 CB ASN A 97 -2.871 12.674 0.125 1.00 0.00 C ATOM 342 CG ASN A 97 -2.941 14.182 -0.122 1.00 0.00 C ATOM 343 OD1 ASN A 97 -2.669 14.968 0.763 1.00 0.00 O ATOM 344 ND2 ASN A 97 -3.298 14.622 -1.298 1.00 0.00 N ATOM 0 HA ASN A 97 -4.780 12.675 -0.905 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -2.627 12.477 1.169 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -2.076 12.233 -0.476 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -3.348 15.626 -1.473 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -3.527 13.962 -2.042 1.00 0.00 H new ATOM 351 N GLY A 98 -3.818 9.632 -0.197 1.00 0.00 N ATOM 352 CA GLY A 98 -3.536 8.318 -0.838 1.00 0.00 C ATOM 353 C GLY A 98 -2.188 7.826 -0.327 1.00 0.00 C ATOM 354 O GLY A 98 -2.045 6.694 0.091 1.00 0.00 O ATOM 0 H GLY A 98 -3.885 9.614 0.821 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -4.320 7.600 -0.597 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -3.519 8.419 -1.923 1.00 0.00 H new ATOM 358 N TYR A 99 -1.203 8.682 -0.334 1.00 0.00 N ATOM 359 CA TYR A 99 0.132 8.280 0.172 1.00 0.00 C ATOM 360 C TYR A 99 0.096 8.334 1.704 1.00 0.00 C ATOM 361 O TYR A 99 -0.101 9.380 2.293 1.00 0.00 O ATOM 362 CB TYR A 99 1.204 9.234 -0.393 1.00 0.00 C ATOM 363 CG TYR A 99 1.441 10.397 0.546 1.00 0.00 C ATOM 364 CD1 TYR A 99 2.245 10.221 1.678 1.00 0.00 C ATOM 365 CD2 TYR A 99 0.859 11.644 0.285 1.00 0.00 C ATOM 366 CE1 TYR A 99 2.469 11.290 2.550 1.00 0.00 C ATOM 367 CE2 TYR A 99 1.084 12.715 1.160 1.00 0.00 C ATOM 368 CZ TYR A 99 1.890 12.538 2.291 1.00 0.00 C ATOM 369 OH TYR A 99 2.111 13.594 3.152 1.00 0.00 O ATOM 0 H TYR A 99 -1.269 9.643 -0.670 1.00 0.00 H new ATOM 0 HA TYR A 99 0.382 7.268 -0.147 1.00 0.00 H new ATOM 0 HB2 TYR A 99 2.136 8.690 -0.547 1.00 0.00 H new ATOM 0 HB3 TYR A 99 0.888 9.607 -1.367 1.00 0.00 H new ATOM 0 HD1 TYR A 99 2.693 9.259 1.878 1.00 0.00 H new ATOM 0 HD2 TYR A 99 0.238 11.780 -0.588 1.00 0.00 H new ATOM 0 HE1 TYR A 99 3.089 11.153 3.424 1.00 0.00 H new ATOM 0 HE2 TYR A 99 0.636 13.677 0.962 1.00 0.00 H new ATOM 0 HH TYR A 99 1.637 14.387 2.825 1.00 0.00 H new ATOM 379 N ILE A 100 0.261 7.221 2.357 1.00 0.00 N ATOM 380 CA ILE A 100 0.214 7.236 3.843 1.00 0.00 C ATOM 381 C ILE A 100 1.637 7.205 4.404 1.00 0.00 C ATOM 382 O ILE A 100 2.208 8.230 4.718 1.00 0.00 O ATOM 383 CB ILE A 100 -0.575 6.032 4.371 1.00 0.00 C ATOM 384 CG1 ILE A 100 -1.071 5.142 3.223 1.00 0.00 C ATOM 385 CG2 ILE A 100 -1.780 6.531 5.170 1.00 0.00 C ATOM 386 CD1 ILE A 100 -1.970 4.052 3.797 1.00 0.00 C ATOM 0 H ILE A 100 0.425 6.309 1.931 1.00 0.00 H new ATOM 0 HA ILE A 100 -0.286 8.149 4.166 1.00 0.00 H new ATOM 0 HB ILE A 100 0.087 5.441 5.004 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -1.620 5.738 2.494 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -0.225 4.696 2.699 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -2.344 5.678 5.548 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -1.435 7.138 6.007 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -2.420 7.133 4.525 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -2.328 3.413 2.990 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -1.405 3.452 4.510 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -2.820 4.510 4.302 1.00 0.00 H new ATOM 398 N SER A 101 2.215 6.043 4.547 1.00 0.00 N ATOM 399 CA SER A 101 3.594 5.969 5.099 1.00 0.00 C ATOM 400 C SER A 101 3.953 4.514 5.404 1.00 0.00 C ATOM 401 O SER A 101 3.125 3.628 5.315 1.00 0.00 O ATOM 402 CB SER A 101 3.647 6.780 6.390 1.00 0.00 C ATOM 403 OG SER A 101 4.768 6.367 7.161 1.00 0.00 O ATOM 0 H SER A 101 1.792 5.146 4.306 1.00 0.00 H new ATOM 0 HA SER A 101 4.302 6.367 4.373 1.00 0.00 H new ATOM 0 HB2 SER A 101 3.720 7.843 6.162 1.00 0.00 H new ATOM 0 HB3 SER A 101 2.728 6.639 6.959 1.00 0.00 H new ATOM 0 HG SER A 101 4.805 6.888 7.990 1.00 0.00 H new ATOM 409 N ALA A 102 5.179 4.263 5.770 1.00 0.00 N ATOM 410 CA ALA A 102 5.589 2.866 6.090 1.00 0.00 C ATOM 411 C ALA A 102 4.862 2.410 7.354 1.00 0.00 C ATOM 412 O ALA A 102 4.554 1.246 7.522 1.00 0.00 O ATOM 413 CB ALA A 102 7.099 2.817 6.326 1.00 0.00 C ATOM 0 H ALA A 102 5.915 4.964 5.862 1.00 0.00 H new ATOM 0 HA ALA A 102 5.333 2.209 5.259 1.00 0.00 H new ATOM 0 HB1 ALA A 102 7.398 1.795 6.560 1.00 0.00 H new ATOM 0 HB2 ALA A 102 7.619 3.150 5.428 1.00 0.00 H new ATOM 0 HB3 ALA A 102 7.358 3.471 7.159 1.00 0.00 H new ATOM 419 N ALA A 103 4.584 3.322 8.246 1.00 0.00 N ATOM 420 CA ALA A 103 3.877 2.947 9.500 1.00 0.00 C ATOM 421 C ALA A 103 2.414 2.640 9.183 1.00 0.00 C ATOM 422 O ALA A 103 1.725 1.992 9.946 1.00 0.00 O ATOM 423 CB ALA A 103 3.950 4.103 10.497 1.00 0.00 C ATOM 0 H ALA A 103 4.817 4.311 8.159 1.00 0.00 H new ATOM 0 HA ALA A 103 4.351 2.066 9.934 1.00 0.00 H new ATOM 0 HB1 ALA A 103 3.431 3.825 11.415 1.00 0.00 H new ATOM 0 HB2 ALA A 103 4.993 4.324 10.723 1.00 0.00 H new ATOM 0 HB3 ALA A 103 3.478 4.986 10.066 1.00 0.00 H new ATOM 429 N GLU A 104 1.939 3.095 8.060 1.00 0.00 N ATOM 430 CA GLU A 104 0.525 2.824 7.687 1.00 0.00 C ATOM 431 C GLU A 104 0.452 1.458 7.013 1.00 0.00 C ATOM 432 O GLU A 104 -0.363 0.624 7.352 1.00 0.00 O ATOM 433 CB GLU A 104 0.043 3.893 6.710 1.00 0.00 C ATOM 434 CG GLU A 104 -0.216 5.197 7.468 1.00 0.00 C ATOM 435 CD GLU A 104 -1.602 5.147 8.112 1.00 0.00 C ATOM 436 OE1 GLU A 104 -2.049 4.056 8.421 1.00 0.00 O ATOM 437 OE2 GLU A 104 -2.191 6.201 8.285 1.00 0.00 O ATOM 0 H GLU A 104 2.469 3.644 7.383 1.00 0.00 H new ATOM 0 HA GLU A 104 -0.104 2.838 8.577 1.00 0.00 H new ATOM 0 HB2 GLU A 104 0.790 4.054 5.933 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -0.869 3.562 6.212 1.00 0.00 H new ATOM 0 HG2 GLU A 104 0.547 5.343 8.233 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -0.151 6.045 6.787 1.00 0.00 H new ATOM 444 N LEU A 105 1.307 1.229 6.057 1.00 0.00 N ATOM 445 CA LEU A 105 1.307 -0.078 5.350 1.00 0.00 C ATOM 446 C LEU A 105 1.534 -1.203 6.359 1.00 0.00 C ATOM 447 O LEU A 105 0.896 -2.232 6.304 1.00 0.00 O ATOM 448 CB LEU A 105 2.423 -0.087 4.309 1.00 0.00 C ATOM 449 CG LEU A 105 1.863 -0.562 2.971 1.00 0.00 C ATOM 450 CD1 LEU A 105 2.210 0.441 1.876 1.00 0.00 C ATOM 451 CD2 LEU A 105 2.484 -1.914 2.619 1.00 0.00 C ATOM 0 H LEU A 105 2.009 1.895 5.734 1.00 0.00 H new ATOM 0 HA LEU A 105 0.348 -0.228 4.855 1.00 0.00 H new ATOM 0 HB2 LEU A 105 2.846 0.912 4.205 1.00 0.00 H new ATOM 0 HB3 LEU A 105 3.231 -0.744 4.631 1.00 0.00 H new ATOM 0 HG LEU A 105 0.780 -0.654 3.049 1.00 0.00 H new ATOM 0 HD11 LEU A 105 1.807 0.095 0.924 1.00 0.00 H new ATOM 0 HD12 LEU A 105 1.778 1.411 2.121 1.00 0.00 H new ATOM 0 HD13 LEU A 105 3.293 0.535 1.799 1.00 0.00 H new ATOM 0 HD21 LEU A 105 2.088 -2.259 1.664 1.00 0.00 H new ATOM 0 HD22 LEU A 105 3.567 -1.809 2.546 1.00 0.00 H new ATOM 0 HD23 LEU A 105 2.241 -2.639 3.396 1.00 0.00 H new ATOM 463 N ARG A 106 2.435 -1.022 7.283 1.00 0.00 N ATOM 464 CA ARG A 106 2.676 -2.099 8.279 1.00 0.00 C ATOM 465 C ARG A 106 1.344 -2.550 8.871 1.00 0.00 C ATOM 466 O ARG A 106 1.131 -3.711 9.138 1.00 0.00 O ATOM 467 CB ARG A 106 3.565 -1.575 9.403 1.00 0.00 C ATOM 468 CG ARG A 106 3.044 -0.224 9.887 1.00 0.00 C ATOM 469 CD ARG A 106 2.033 -0.437 11.015 1.00 0.00 C ATOM 470 NE ARG A 106 2.497 0.281 12.235 1.00 0.00 N ATOM 471 CZ ARG A 106 1.640 0.612 13.164 1.00 0.00 C ATOM 472 NH1 ARG A 106 1.319 -0.249 14.091 1.00 0.00 N ATOM 473 NH2 ARG A 106 1.107 1.803 13.165 1.00 0.00 N ATOM 0 H ARG A 106 3.008 -0.185 7.391 1.00 0.00 H new ATOM 0 HA ARG A 106 3.167 -2.938 7.785 1.00 0.00 H new ATOM 0 HB2 ARG A 106 3.580 -2.286 10.229 1.00 0.00 H new ATOM 0 HB3 ARG A 106 4.591 -1.474 9.050 1.00 0.00 H new ATOM 0 HG2 ARG A 106 3.872 0.391 10.239 1.00 0.00 H new ATOM 0 HG3 ARG A 106 2.576 0.313 9.062 1.00 0.00 H new ATOM 0 HD2 ARG A 106 1.052 -0.069 10.714 1.00 0.00 H new ATOM 0 HD3 ARG A 106 1.924 -1.501 11.225 1.00 0.00 H new ATOM 0 HE ARG A 106 3.484 0.514 12.345 1.00 0.00 H new ATOM 0 HH11 ARG A 106 1.737 -1.179 14.090 1.00 0.00 H new ATOM 0 HH12 ARG A 106 0.650 0.009 14.817 1.00 0.00 H new ATOM 0 HH21 ARG A 106 1.359 2.475 12.441 1.00 0.00 H new ATOM 0 HH22 ARG A 106 0.438 2.062 13.890 1.00 0.00 H new ATOM 487 N HIS A 107 0.455 -1.629 9.097 1.00 0.00 N ATOM 488 CA HIS A 107 -0.863 -1.989 9.697 1.00 0.00 C ATOM 489 C HIS A 107 -1.850 -2.473 8.624 1.00 0.00 C ATOM 490 O HIS A 107 -2.788 -3.180 8.923 1.00 0.00 O ATOM 491 CB HIS A 107 -1.455 -0.762 10.395 1.00 0.00 C ATOM 492 CG HIS A 107 -2.725 -1.153 11.102 1.00 0.00 C ATOM 493 ND1 HIS A 107 -3.941 -1.584 10.633 1.00 0.00 N flip ATOM 494 CD2 HIS A 107 -2.839 -1.129 12.484 1.00 0.00 C flip ATOM 495 CE1 HIS A 107 -4.798 -1.823 11.703 1.00 0.00 C flip ATOM 496 NE2 HIS A 107 -4.085 -1.533 12.795 1.00 0.00 N flip ATOM 0 H HIS A 107 0.581 -0.638 8.893 1.00 0.00 H new ATOM 0 HA HIS A 107 -0.701 -2.796 10.412 1.00 0.00 H new ATOM 0 HB2 HIS A 107 -0.739 -0.355 11.109 1.00 0.00 H new ATOM 0 HB3 HIS A 107 -1.658 0.022 9.666 1.00 0.00 H new ATOM 0 HD1 HIS A 107 -4.180 -1.710 9.649 1.00 0.00 H new ATOM 0 HD2 HIS A 107 -2.069 -0.839 13.183 1.00 0.00 H new ATOM 0 HE1 HIS A 107 -5.820 -2.169 11.660 1.00 0.00 H new ATOM 504 N VAL A 108 -1.677 -2.094 7.388 1.00 0.00 N ATOM 505 CA VAL A 108 -2.654 -2.542 6.347 1.00 0.00 C ATOM 506 C VAL A 108 -2.206 -3.849 5.704 1.00 0.00 C ATOM 507 O VAL A 108 -2.914 -4.824 5.745 1.00 0.00 O ATOM 508 CB VAL A 108 -2.808 -1.467 5.273 1.00 0.00 C ATOM 509 CG1 VAL A 108 -4.103 -1.716 4.501 1.00 0.00 C ATOM 510 CG2 VAL A 108 -2.864 -0.093 5.937 1.00 0.00 C ATOM 0 H VAL A 108 -0.916 -1.503 7.054 1.00 0.00 H new ATOM 0 HA VAL A 108 -3.615 -2.707 6.835 1.00 0.00 H new ATOM 0 HB VAL A 108 -1.961 -1.503 4.588 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -4.221 -0.953 3.732 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -4.064 -2.700 4.033 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -4.949 -1.674 5.187 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -2.974 0.676 5.173 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -3.714 -0.052 6.618 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -1.944 0.079 6.495 1.00 0.00 H new ATOM 520 N MET A 109 -1.059 -3.888 5.095 1.00 0.00 N ATOM 521 CA MET A 109 -0.624 -5.160 4.449 1.00 0.00 C ATOM 522 C MET A 109 -0.371 -6.242 5.510 1.00 0.00 C ATOM 523 O MET A 109 -0.104 -7.383 5.189 1.00 0.00 O ATOM 524 CB MET A 109 0.655 -4.925 3.655 1.00 0.00 C ATOM 525 CG MET A 109 0.346 -5.067 2.163 1.00 0.00 C ATOM 526 SD MET A 109 1.854 -4.821 1.193 1.00 0.00 S ATOM 527 CE MET A 109 2.987 -5.732 2.267 1.00 0.00 C ATOM 0 H MET A 109 -0.408 -3.107 5.014 1.00 0.00 H new ATOM 0 HA MET A 109 -1.416 -5.496 3.779 1.00 0.00 H new ATOM 0 HB2 MET A 109 1.052 -3.932 3.865 1.00 0.00 H new ATOM 0 HB3 MET A 109 1.420 -5.643 3.951 1.00 0.00 H new ATOM 0 HG2 MET A 109 -0.069 -6.055 1.961 1.00 0.00 H new ATOM 0 HG3 MET A 109 -0.409 -4.338 1.868 1.00 0.00 H new ATOM 0 HE1 MET A 109 3.914 -5.934 1.730 1.00 0.00 H new ATOM 0 HE2 MET A 109 3.204 -5.138 3.155 1.00 0.00 H new ATOM 0 HE3 MET A 109 2.527 -6.674 2.565 1.00 0.00 H new ATOM 537 N THR A 110 -0.450 -5.898 6.767 1.00 0.00 N ATOM 538 CA THR A 110 -0.211 -6.913 7.839 1.00 0.00 C ATOM 539 C THR A 110 -1.528 -7.625 8.178 1.00 0.00 C ATOM 540 O THR A 110 -1.564 -8.548 8.967 1.00 0.00 O ATOM 541 CB THR A 110 0.336 -6.209 9.084 1.00 0.00 C ATOM 542 OG1 THR A 110 1.717 -5.932 8.896 1.00 0.00 O ATOM 543 CG2 THR A 110 0.160 -7.099 10.312 1.00 0.00 C ATOM 0 H THR A 110 -0.669 -4.959 7.100 1.00 0.00 H new ATOM 0 HA THR A 110 0.512 -7.651 7.492 1.00 0.00 H new ATOM 0 HB THR A 110 -0.212 -5.279 9.239 1.00 0.00 H new ATOM 0 HG1 THR A 110 1.836 -4.979 8.700 1.00 0.00 H new ATOM 0 HG21 THR A 110 0.553 -6.588 11.191 1.00 0.00 H new ATOM 0 HG22 THR A 110 -0.899 -7.312 10.459 1.00 0.00 H new ATOM 0 HG23 THR A 110 0.701 -8.034 10.164 1.00 0.00 H new ATOM 551 N ASN A 111 -2.603 -7.206 7.577 1.00 0.00 N ATOM 552 CA ASN A 111 -3.921 -7.853 7.839 1.00 0.00 C ATOM 553 C ASN A 111 -4.535 -8.234 6.494 1.00 0.00 C ATOM 554 O ASN A 111 -5.145 -9.273 6.342 1.00 0.00 O ATOM 555 CB ASN A 111 -4.863 -6.881 8.563 1.00 0.00 C ATOM 556 CG ASN A 111 -4.063 -5.842 9.358 1.00 0.00 C ATOM 557 OD1 ASN A 111 -2.914 -6.059 9.688 1.00 0.00 O ATOM 558 ND2 ASN A 111 -4.637 -4.711 9.685 1.00 0.00 N ATOM 0 H ASN A 111 -2.628 -6.436 6.909 1.00 0.00 H new ATOM 0 HA ASN A 111 -3.779 -8.732 8.468 1.00 0.00 H new ATOM 0 HB2 ASN A 111 -5.502 -6.378 7.837 1.00 0.00 H new ATOM 0 HB3 ASN A 111 -5.518 -7.435 9.235 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -4.119 -4.012 10.217 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -5.602 -4.530 9.407 1.00 0.00 H new ATOM 565 N LEU A 112 -4.359 -7.385 5.518 1.00 0.00 N ATOM 566 CA LEU A 112 -4.899 -7.649 4.156 1.00 0.00 C ATOM 567 C LEU A 112 -4.765 -9.134 3.827 1.00 0.00 C ATOM 568 O LEU A 112 -5.555 -9.697 3.096 1.00 0.00 O ATOM 569 CB LEU A 112 -4.087 -6.832 3.141 1.00 0.00 C ATOM 570 CG LEU A 112 -4.760 -5.479 2.864 1.00 0.00 C ATOM 571 CD1 LEU A 112 -5.745 -5.642 1.706 1.00 0.00 C ATOM 572 CD2 LEU A 112 -5.510 -4.984 4.109 1.00 0.00 C ATOM 0 H LEU A 112 -3.854 -6.504 5.611 1.00 0.00 H new ATOM 0 HA LEU A 112 -5.951 -7.366 4.115 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -3.079 -6.670 3.522 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -3.991 -7.392 2.211 1.00 0.00 H new ATOM 0 HG LEU A 112 -3.995 -4.747 2.606 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -6.228 -4.686 1.502 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -5.209 -5.975 0.817 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -6.501 -6.381 1.972 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -5.980 -4.025 3.893 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -6.276 -5.709 4.385 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -4.808 -4.866 4.934 1.00 0.00 H new ATOM 584 N GLY A 113 -3.764 -9.766 4.361 1.00 0.00 N ATOM 585 CA GLY A 113 -3.555 -11.212 4.086 1.00 0.00 C ATOM 586 C GLY A 113 -2.066 -11.459 3.862 1.00 0.00 C ATOM 587 O GLY A 113 -1.570 -12.555 4.038 1.00 0.00 O ATOM 0 H GLY A 113 -3.075 -9.341 4.982 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -3.916 -11.811 4.922 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -4.124 -11.515 3.207 1.00 0.00 H new ATOM 591 N GLU A 114 -1.345 -10.438 3.478 1.00 0.00 N ATOM 592 CA GLU A 114 0.116 -10.599 3.245 1.00 0.00 C ATOM 593 C GLU A 114 0.799 -10.972 4.562 1.00 0.00 C ATOM 594 O GLU A 114 1.680 -11.808 4.592 1.00 0.00 O ATOM 595 CB GLU A 114 0.703 -9.285 2.719 1.00 0.00 C ATOM 596 CG GLU A 114 0.269 -9.070 1.267 1.00 0.00 C ATOM 597 CD GLU A 114 -1.147 -8.494 1.234 1.00 0.00 C ATOM 598 OE1 GLU A 114 -1.483 -7.748 2.140 1.00 0.00 O ATOM 599 OE2 GLU A 114 -1.871 -8.807 0.305 1.00 0.00 O ATOM 0 H GLU A 114 -1.708 -9.499 3.316 1.00 0.00 H new ATOM 0 HA GLU A 114 0.282 -11.386 2.510 1.00 0.00 H new ATOM 0 HB2 GLU A 114 0.366 -8.452 3.336 1.00 0.00 H new ATOM 0 HB3 GLU A 114 1.791 -9.310 2.784 1.00 0.00 H new ATOM 0 HG2 GLU A 114 0.960 -8.391 0.767 1.00 0.00 H new ATOM 0 HG3 GLU A 114 0.301 -10.014 0.724 1.00 0.00 H new ATOM 606 N LYS A 115 0.406 -10.361 5.651 1.00 0.00 N ATOM 607 CA LYS A 115 1.051 -10.698 6.954 1.00 0.00 C ATOM 608 C LYS A 115 2.569 -10.586 6.809 1.00 0.00 C ATOM 609 O LYS A 115 3.220 -11.477 6.301 1.00 0.00 O ATOM 610 CB LYS A 115 0.688 -12.129 7.348 1.00 0.00 C ATOM 611 CG LYS A 115 0.947 -12.328 8.843 1.00 0.00 C ATOM 612 CD LYS A 115 0.252 -13.605 9.319 1.00 0.00 C ATOM 613 CE LYS A 115 -1.213 -13.300 9.636 1.00 0.00 C ATOM 614 NZ LYS A 115 -1.392 -13.209 11.114 1.00 0.00 N ATOM 0 H LYS A 115 -0.325 -9.651 5.694 1.00 0.00 H new ATOM 0 HA LYS A 115 0.701 -10.008 7.722 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -0.360 -12.326 7.120 1.00 0.00 H new ATOM 0 HB3 LYS A 115 1.279 -12.838 6.768 1.00 0.00 H new ATOM 0 HG2 LYS A 115 2.019 -12.394 9.031 1.00 0.00 H new ATOM 0 HG3 LYS A 115 0.577 -11.470 9.404 1.00 0.00 H new ATOM 0 HD2 LYS A 115 0.316 -14.375 8.550 1.00 0.00 H new ATOM 0 HD3 LYS A 115 0.753 -13.996 10.204 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -1.511 -12.364 9.164 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -1.855 -14.081 9.228 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -2.388 -13.002 11.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -1.123 -14.113 11.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -0.790 -12.449 11.490 1.00 0.00 H new ATOM 628 N LEU A 116 3.139 -9.498 7.246 1.00 0.00 N ATOM 629 CA LEU A 116 4.615 -9.331 7.122 1.00 0.00 C ATOM 630 C LEU A 116 5.106 -8.368 8.209 1.00 0.00 C ATOM 631 O LEU A 116 5.874 -7.461 7.964 1.00 0.00 O ATOM 632 CB LEU A 116 4.928 -8.778 5.735 1.00 0.00 C ATOM 633 CG LEU A 116 4.372 -7.360 5.620 1.00 0.00 C ATOM 634 CD1 LEU A 116 5.172 -6.590 4.567 1.00 0.00 C ATOM 635 CD2 LEU A 116 2.901 -7.427 5.202 1.00 0.00 C ATOM 0 H LEU A 116 2.648 -8.718 7.683 1.00 0.00 H new ATOM 0 HA LEU A 116 5.121 -10.288 7.249 1.00 0.00 H new ATOM 0 HB2 LEU A 116 6.005 -8.773 5.567 1.00 0.00 H new ATOM 0 HB3 LEU A 116 4.489 -9.417 4.969 1.00 0.00 H new ATOM 0 HG LEU A 116 4.452 -6.851 6.581 1.00 0.00 H new ATOM 0 HD11 LEU A 116 4.779 -5.577 4.481 1.00 0.00 H new ATOM 0 HD12 LEU A 116 6.220 -6.549 4.864 1.00 0.00 H new ATOM 0 HD13 LEU A 116 5.087 -7.095 3.605 1.00 0.00 H new ATOM 0 HD21 LEU A 116 2.500 -6.417 5.119 1.00 0.00 H new ATOM 0 HD22 LEU A 116 2.819 -7.931 4.239 1.00 0.00 H new ATOM 0 HD23 LEU A 116 2.335 -7.981 5.951 1.00 0.00 H new ATOM 647 N THR A 117 4.657 -8.587 9.406 1.00 0.00 N ATOM 648 CA THR A 117 5.045 -7.736 10.572 1.00 0.00 C ATOM 649 C THR A 117 5.208 -6.276 10.154 1.00 0.00 C ATOM 650 O THR A 117 4.737 -5.848 9.117 1.00 0.00 O ATOM 651 CB THR A 117 6.360 -8.240 11.170 1.00 0.00 C ATOM 652 OG1 THR A 117 7.440 -7.872 10.324 1.00 0.00 O ATOM 653 CG2 THR A 117 6.306 -9.763 11.314 1.00 0.00 C ATOM 0 H THR A 117 4.015 -9.345 9.639 1.00 0.00 H new ATOM 0 HA THR A 117 4.251 -7.800 11.316 1.00 0.00 H new ATOM 0 HB THR A 117 6.508 -7.792 12.153 1.00 0.00 H new ATOM 0 HG1 THR A 117 8.287 -8.005 10.798 1.00 0.00 H new ATOM 0 HG21 THR A 117 7.243 -10.122 11.740 1.00 0.00 H new ATOM 0 HG22 THR A 117 5.480 -10.037 11.971 1.00 0.00 H new ATOM 0 HG23 THR A 117 6.156 -10.216 10.334 1.00 0.00 H new ATOM 661 N ASP A 118 5.875 -5.507 10.966 1.00 0.00 N ATOM 662 CA ASP A 118 6.089 -4.075 10.640 1.00 0.00 C ATOM 663 C ASP A 118 7.514 -3.905 10.120 1.00 0.00 C ATOM 664 O ASP A 118 7.831 -2.949 9.441 1.00 0.00 O ATOM 665 CB ASP A 118 5.898 -3.231 11.900 1.00 0.00 C ATOM 666 CG ASP A 118 5.678 -1.771 11.503 1.00 0.00 C ATOM 667 OD1 ASP A 118 6.589 -1.186 10.940 1.00 0.00 O ATOM 668 OD2 ASP A 118 4.601 -1.262 11.765 1.00 0.00 O ATOM 0 H ASP A 118 6.284 -5.814 11.849 1.00 0.00 H new ATOM 0 HA ASP A 118 5.374 -3.751 9.883 1.00 0.00 H new ATOM 0 HB2 ASP A 118 5.044 -3.597 12.471 1.00 0.00 H new ATOM 0 HB3 ASP A 118 6.773 -3.317 12.545 1.00 0.00 H new ATOM 673 N GLU A 119 8.374 -4.836 10.434 1.00 0.00 N ATOM 674 CA GLU A 119 9.781 -4.749 9.959 1.00 0.00 C ATOM 675 C GLU A 119 9.864 -5.314 8.540 1.00 0.00 C ATOM 676 O GLU A 119 10.644 -4.860 7.725 1.00 0.00 O ATOM 677 CB GLU A 119 10.684 -5.560 10.892 1.00 0.00 C ATOM 678 CG GLU A 119 10.826 -4.825 12.228 1.00 0.00 C ATOM 679 CD GLU A 119 11.502 -5.743 13.249 1.00 0.00 C ATOM 680 OE1 GLU A 119 12.664 -6.061 13.053 1.00 0.00 O ATOM 681 OE2 GLU A 119 10.848 -6.111 14.212 1.00 0.00 O ATOM 0 H GLU A 119 8.160 -5.656 11.002 1.00 0.00 H new ATOM 0 HA GLU A 119 10.109 -3.709 9.958 1.00 0.00 H new ATOM 0 HB2 GLU A 119 10.262 -6.552 11.053 1.00 0.00 H new ATOM 0 HB3 GLU A 119 11.664 -5.701 10.436 1.00 0.00 H new ATOM 0 HG2 GLU A 119 11.414 -3.917 12.094 1.00 0.00 H new ATOM 0 HG3 GLU A 119 9.845 -4.519 12.592 1.00 0.00 H new ATOM 688 N GLU A 120 9.053 -6.292 8.228 1.00 0.00 N ATOM 689 CA GLU A 120 9.082 -6.862 6.852 1.00 0.00 C ATOM 690 C GLU A 120 8.432 -5.856 5.899 1.00 0.00 C ATOM 691 O GLU A 120 8.874 -5.657 4.785 1.00 0.00 O ATOM 692 CB GLU A 120 8.293 -8.177 6.788 1.00 0.00 C ATOM 693 CG GLU A 120 8.314 -8.908 8.138 1.00 0.00 C ATOM 694 CD GLU A 120 8.816 -10.338 7.926 1.00 0.00 C ATOM 695 OE1 GLU A 120 9.898 -10.492 7.384 1.00 0.00 O ATOM 696 OE2 GLU A 120 8.107 -11.254 8.308 1.00 0.00 O ATOM 0 H GLU A 120 8.377 -6.717 8.863 1.00 0.00 H new ATOM 0 HA GLU A 120 10.117 -7.060 6.572 1.00 0.00 H new ATOM 0 HB2 GLU A 120 7.262 -7.971 6.500 1.00 0.00 H new ATOM 0 HB3 GLU A 120 8.717 -8.821 6.017 1.00 0.00 H new ATOM 0 HG2 GLU A 120 8.961 -8.383 8.840 1.00 0.00 H new ATOM 0 HG3 GLU A 120 7.315 -8.921 8.574 1.00 0.00 H new ATOM 703 N VAL A 121 7.374 -5.229 6.340 1.00 0.00 N ATOM 704 CA VAL A 121 6.665 -4.235 5.480 1.00 0.00 C ATOM 705 C VAL A 121 7.493 -2.950 5.363 1.00 0.00 C ATOM 706 O VAL A 121 7.700 -2.433 4.283 1.00 0.00 O ATOM 707 CB VAL A 121 5.296 -3.908 6.093 1.00 0.00 C ATOM 708 CG1 VAL A 121 5.451 -3.528 7.567 1.00 0.00 C ATOM 709 CG2 VAL A 121 4.663 -2.742 5.334 1.00 0.00 C ATOM 0 H VAL A 121 6.967 -5.363 7.266 1.00 0.00 H new ATOM 0 HA VAL A 121 6.529 -4.661 4.486 1.00 0.00 H new ATOM 0 HB VAL A 121 4.658 -4.788 6.019 1.00 0.00 H new ATOM 0 HG11 VAL A 121 4.472 -3.299 7.988 1.00 0.00 H new ATOM 0 HG12 VAL A 121 5.895 -4.361 8.113 1.00 0.00 H new ATOM 0 HG13 VAL A 121 6.096 -2.654 7.651 1.00 0.00 H new ATOM 0 HG21 VAL A 121 3.691 -2.510 5.769 1.00 0.00 H new ATOM 0 HG22 VAL A 121 5.310 -1.868 5.404 1.00 0.00 H new ATOM 0 HG23 VAL A 121 4.536 -3.016 4.287 1.00 0.00 H new ATOM 719 N ASP A 122 7.961 -2.430 6.462 1.00 0.00 N ATOM 720 CA ASP A 122 8.768 -1.177 6.410 1.00 0.00 C ATOM 721 C ASP A 122 9.948 -1.362 5.451 1.00 0.00 C ATOM 722 O ASP A 122 10.337 -0.451 4.748 1.00 0.00 O ATOM 723 CB ASP A 122 9.294 -0.857 7.812 1.00 0.00 C ATOM 724 CG ASP A 122 8.183 -0.204 8.639 1.00 0.00 C ATOM 725 OD1 ASP A 122 7.046 -0.233 8.196 1.00 0.00 O ATOM 726 OD2 ASP A 122 8.489 0.313 9.701 1.00 0.00 O ATOM 0 H ASP A 122 7.820 -2.817 7.395 1.00 0.00 H new ATOM 0 HA ASP A 122 8.143 -0.357 6.056 1.00 0.00 H new ATOM 0 HB2 ASP A 122 9.637 -1.769 8.300 1.00 0.00 H new ATOM 0 HB3 ASP A 122 10.153 -0.189 7.746 1.00 0.00 H new ATOM 731 N GLU A 123 10.525 -2.533 5.420 1.00 0.00 N ATOM 732 CA GLU A 123 11.683 -2.771 4.510 1.00 0.00 C ATOM 733 C GLU A 123 11.199 -2.877 3.062 1.00 0.00 C ATOM 734 O GLU A 123 11.934 -2.607 2.134 1.00 0.00 O ATOM 735 CB GLU A 123 12.384 -4.073 4.907 1.00 0.00 C ATOM 736 CG GLU A 123 13.605 -3.753 5.772 1.00 0.00 C ATOM 737 CD GLU A 123 14.672 -4.833 5.573 1.00 0.00 C ATOM 738 OE1 GLU A 123 14.299 -5.978 5.376 1.00 0.00 O ATOM 739 OE2 GLU A 123 15.843 -4.496 5.621 1.00 0.00 O ATOM 0 H GLU A 123 10.245 -3.335 5.985 1.00 0.00 H new ATOM 0 HA GLU A 123 12.379 -1.937 4.594 1.00 0.00 H new ATOM 0 HB2 GLU A 123 11.696 -4.716 5.455 1.00 0.00 H new ATOM 0 HB3 GLU A 123 12.690 -4.620 4.015 1.00 0.00 H new ATOM 0 HG2 GLU A 123 14.007 -2.776 5.504 1.00 0.00 H new ATOM 0 HG3 GLU A 123 13.316 -3.702 6.822 1.00 0.00 H new ATOM 746 N MET A 124 9.972 -3.272 2.858 1.00 0.00 N ATOM 747 CA MET A 124 9.455 -3.396 1.465 1.00 0.00 C ATOM 748 C MET A 124 8.779 -2.088 1.049 1.00 0.00 C ATOM 749 O MET A 124 8.377 -1.921 -0.085 1.00 0.00 O ATOM 750 CB MET A 124 8.439 -4.538 1.397 1.00 0.00 C ATOM 751 CG MET A 124 8.649 -5.332 0.106 1.00 0.00 C ATOM 752 SD MET A 124 7.977 -4.399 -1.292 1.00 0.00 S ATOM 753 CE MET A 124 9.485 -4.377 -2.294 1.00 0.00 C ATOM 0 H MET A 124 9.307 -3.514 3.593 1.00 0.00 H new ATOM 0 HA MET A 124 10.285 -3.605 0.790 1.00 0.00 H new ATOM 0 HB2 MET A 124 8.553 -5.192 2.261 1.00 0.00 H new ATOM 0 HB3 MET A 124 7.425 -4.139 1.430 1.00 0.00 H new ATOM 0 HG2 MET A 124 9.711 -5.523 -0.047 1.00 0.00 H new ATOM 0 HG3 MET A 124 8.158 -6.302 0.179 1.00 0.00 H new ATOM 0 HE1 MET A 124 9.347 -3.709 -3.144 1.00 0.00 H new ATOM 0 HE2 MET A 124 10.320 -4.025 -1.688 1.00 0.00 H new ATOM 0 HE3 MET A 124 9.698 -5.384 -2.654 1.00 0.00 H new ATOM 763 N ILE A 125 8.647 -1.160 1.957 1.00 0.00 N ATOM 764 CA ILE A 125 7.993 0.133 1.611 1.00 0.00 C ATOM 765 C ILE A 125 9.032 1.083 1.012 1.00 0.00 C ATOM 766 O ILE A 125 8.731 1.859 0.138 1.00 0.00 O ATOM 767 CB ILE A 125 7.367 0.738 2.885 1.00 0.00 C ATOM 768 CG1 ILE A 125 5.892 1.003 2.623 1.00 0.00 C ATOM 769 CG2 ILE A 125 8.050 2.054 3.289 1.00 0.00 C ATOM 770 CD1 ILE A 125 5.063 -0.066 3.329 1.00 0.00 C ATOM 0 H ILE A 125 8.964 -1.242 2.923 1.00 0.00 H new ATOM 0 HA ILE A 125 7.206 -0.027 0.874 1.00 0.00 H new ATOM 0 HB ILE A 125 7.500 0.028 3.702 1.00 0.00 H new ATOM 0 HG12 ILE A 125 5.617 1.993 2.986 1.00 0.00 H new ATOM 0 HG13 ILE A 125 5.691 0.989 1.552 1.00 0.00 H new ATOM 0 HG21 ILE A 125 7.579 2.447 4.190 1.00 0.00 H new ATOM 0 HG22 ILE A 125 9.107 1.871 3.482 1.00 0.00 H new ATOM 0 HG23 ILE A 125 7.949 2.779 2.482 1.00 0.00 H new ATOM 0 HD11 ILE A 125 4.004 0.116 3.147 1.00 0.00 H new ATOM 0 HD12 ILE A 125 5.334 -1.049 2.944 1.00 0.00 H new ATOM 0 HD13 ILE A 125 5.258 -0.029 4.401 1.00 0.00 H new ATOM 782 N ARG A 126 10.248 1.032 1.475 1.00 0.00 N ATOM 783 CA ARG A 126 11.289 1.940 0.915 1.00 0.00 C ATOM 784 C ARG A 126 11.309 1.792 -0.607 1.00 0.00 C ATOM 785 O ARG A 126 11.811 2.636 -1.321 1.00 0.00 O ATOM 786 CB ARG A 126 12.658 1.562 1.484 1.00 0.00 C ATOM 787 CG ARG A 126 12.828 0.042 1.444 1.00 0.00 C ATOM 788 CD ARG A 126 14.269 -0.322 1.809 1.00 0.00 C ATOM 789 NE ARG A 126 14.586 0.205 3.165 1.00 0.00 N ATOM 790 CZ ARG A 126 15.819 0.484 3.485 1.00 0.00 C ATOM 791 NH1 ARG A 126 16.580 -0.434 4.015 1.00 0.00 N ATOM 792 NH2 ARG A 126 16.293 1.681 3.272 1.00 0.00 N ATOM 0 H ARG A 126 10.567 0.405 2.213 1.00 0.00 H new ATOM 0 HA ARG A 126 11.062 2.972 1.183 1.00 0.00 H new ATOM 0 HB2 ARG A 126 13.448 2.042 0.907 1.00 0.00 H new ATOM 0 HB3 ARG A 126 12.749 1.921 2.509 1.00 0.00 H new ATOM 0 HG2 ARG A 126 12.135 -0.430 2.141 1.00 0.00 H new ATOM 0 HG3 ARG A 126 12.587 -0.335 0.450 1.00 0.00 H new ATOM 0 HD2 ARG A 126 14.398 -1.404 1.788 1.00 0.00 H new ATOM 0 HD3 ARG A 126 14.958 0.095 1.075 1.00 0.00 H new ATOM 0 HE ARG A 126 13.838 0.348 3.844 1.00 0.00 H new ATOM 0 HH11 ARG A 126 16.211 -1.370 4.179 1.00 0.00 H new ATOM 0 HH12 ARG A 126 17.544 -0.215 4.265 1.00 0.00 H new ATOM 0 HH21 ARG A 126 15.699 2.398 2.855 1.00 0.00 H new ATOM 0 HH22 ARG A 126 17.257 1.900 3.522 1.00 0.00 H new ATOM 806 N GLU A 127 10.773 0.711 -1.101 1.00 0.00 N ATOM 807 CA GLU A 127 10.760 0.473 -2.569 1.00 0.00 C ATOM 808 C GLU A 127 9.605 1.231 -3.235 1.00 0.00 C ATOM 809 O GLU A 127 9.722 1.692 -4.353 1.00 0.00 O ATOM 810 CB GLU A 127 10.572 -1.023 -2.812 1.00 0.00 C ATOM 811 CG GLU A 127 11.905 -1.746 -2.605 1.00 0.00 C ATOM 812 CD GLU A 127 12.006 -2.918 -3.582 1.00 0.00 C ATOM 813 OE1 GLU A 127 11.556 -2.769 -4.706 1.00 0.00 O ATOM 814 OE2 GLU A 127 12.531 -3.948 -3.188 1.00 0.00 O ATOM 0 H GLU A 127 10.339 -0.025 -0.543 1.00 0.00 H new ATOM 0 HA GLU A 127 11.699 0.825 -2.995 1.00 0.00 H new ATOM 0 HB2 GLU A 127 9.821 -1.421 -2.130 1.00 0.00 H new ATOM 0 HB3 GLU A 127 10.207 -1.195 -3.824 1.00 0.00 H new ATOM 0 HG2 GLU A 127 12.734 -1.055 -2.762 1.00 0.00 H new ATOM 0 HG3 GLU A 127 11.980 -2.106 -1.579 1.00 0.00 H new ATOM 821 N ALA A 128 8.480 1.337 -2.580 1.00 0.00 N ATOM 822 CA ALA A 128 7.320 2.031 -3.210 1.00 0.00 C ATOM 823 C ALA A 128 7.157 3.451 -2.655 1.00 0.00 C ATOM 824 O ALA A 128 6.329 4.212 -3.116 1.00 0.00 O ATOM 825 CB ALA A 128 6.057 1.225 -2.912 1.00 0.00 C ATOM 0 H ALA A 128 8.314 0.975 -1.641 1.00 0.00 H new ATOM 0 HA ALA A 128 7.490 2.104 -4.284 1.00 0.00 H new ATOM 0 HB1 ALA A 128 5.196 1.717 -3.365 1.00 0.00 H new ATOM 0 HB2 ALA A 128 6.160 0.221 -3.325 1.00 0.00 H new ATOM 0 HB3 ALA A 128 5.912 1.161 -1.834 1.00 0.00 H new ATOM 831 N ASP A 129 7.928 3.818 -1.672 1.00 0.00 N ATOM 832 CA ASP A 129 7.802 5.185 -1.097 1.00 0.00 C ATOM 833 C ASP A 129 8.767 6.136 -1.804 1.00 0.00 C ATOM 834 O ASP A 129 9.278 5.843 -2.867 1.00 0.00 O ATOM 835 CB ASP A 129 8.126 5.141 0.397 1.00 0.00 C ATOM 836 CG ASP A 129 9.585 4.723 0.594 1.00 0.00 C ATOM 837 OD1 ASP A 129 10.229 4.409 -0.394 1.00 0.00 O ATOM 838 OD2 ASP A 129 10.032 4.723 1.728 1.00 0.00 O ATOM 0 H ASP A 129 8.641 3.230 -1.241 1.00 0.00 H new ATOM 0 HA ASP A 129 6.782 5.542 -1.238 1.00 0.00 H new ATOM 0 HB2 ASP A 129 7.954 6.119 0.846 1.00 0.00 H new ATOM 0 HB3 ASP A 129 7.464 4.438 0.902 1.00 0.00 H new ATOM 893 N GLY A 134 4.666 11.614 -2.086 1.00 0.00 N ATOM 894 CA GLY A 134 3.958 10.744 -1.103 1.00 0.00 C ATOM 895 C GLY A 134 4.659 9.389 -0.999 1.00 0.00 C ATOM 896 O GLY A 134 5.159 8.857 -1.971 1.00 0.00 O ATOM 0 HA2 GLY A 134 3.938 11.228 -0.126 1.00 0.00 H new ATOM 0 HA3 GLY A 134 2.922 10.603 -1.411 1.00 0.00 H new ATOM 900 N GLN A 135 4.696 8.825 0.178 1.00 0.00 N ATOM 901 CA GLN A 135 5.357 7.502 0.361 1.00 0.00 C ATOM 902 C GLN A 135 4.592 6.433 -0.429 1.00 0.00 C ATOM 903 O GLN A 135 4.783 6.277 -1.619 1.00 0.00 O ATOM 904 CB GLN A 135 5.361 7.145 1.849 1.00 0.00 C ATOM 905 CG GLN A 135 6.274 8.112 2.605 1.00 0.00 C ATOM 906 CD GLN A 135 7.691 7.541 2.661 1.00 0.00 C ATOM 907 OE1 GLN A 135 7.889 6.417 3.077 1.00 0.00 O ATOM 908 NE2 GLN A 135 8.693 8.274 2.258 1.00 0.00 N ATOM 0 H GLN A 135 4.294 9.227 1.025 1.00 0.00 H new ATOM 0 HA GLN A 135 6.383 7.548 -0.004 1.00 0.00 H new ATOM 0 HB2 GLN A 135 4.348 7.197 2.249 1.00 0.00 H new ATOM 0 HB3 GLN A 135 5.706 6.120 1.987 1.00 0.00 H new ATOM 0 HG2 GLN A 135 6.282 9.083 2.110 1.00 0.00 H new ATOM 0 HG3 GLN A 135 5.895 8.272 3.614 1.00 0.00 H new ATOM 0 HE21 GLN A 135 8.526 9.218 1.909 1.00 0.00 H new ATOM 0 HE22 GLN A 135 9.643 7.903 2.292 1.00 0.00 H new ATOM 917 N VAL A 136 3.722 5.700 0.215 1.00 0.00 N ATOM 918 CA VAL A 136 2.947 4.652 -0.510 1.00 0.00 C ATOM 919 C VAL A 136 1.538 5.173 -0.777 1.00 0.00 C ATOM 920 O VAL A 136 0.747 5.323 0.128 1.00 0.00 O ATOM 921 CB VAL A 136 2.865 3.396 0.349 1.00 0.00 C ATOM 922 CG1 VAL A 136 2.468 3.778 1.780 1.00 0.00 C ATOM 923 CG2 VAL A 136 1.817 2.456 -0.249 1.00 0.00 C ATOM 0 H VAL A 136 3.515 5.782 1.210 1.00 0.00 H new ATOM 0 HA VAL A 136 3.440 4.415 -1.453 1.00 0.00 H new ATOM 0 HB VAL A 136 3.834 2.897 0.372 1.00 0.00 H new ATOM 0 HG11 VAL A 136 2.410 2.879 2.394 1.00 0.00 H new ATOM 0 HG12 VAL A 136 3.215 4.454 2.197 1.00 0.00 H new ATOM 0 HG13 VAL A 136 1.497 4.273 1.768 1.00 0.00 H new ATOM 0 HG21 VAL A 136 1.750 1.553 0.358 1.00 0.00 H new ATOM 0 HG22 VAL A 136 0.848 2.955 -0.266 1.00 0.00 H new ATOM 0 HG23 VAL A 136 2.105 2.189 -1.266 1.00 0.00 H new ATOM 933 N ASN A 137 1.218 5.466 -2.002 1.00 0.00 N ATOM 934 CA ASN A 137 -0.135 6.010 -2.288 1.00 0.00 C ATOM 935 C ASN A 137 -0.956 5.082 -3.183 1.00 0.00 C ATOM 936 O ASN A 137 -1.298 5.439 -4.288 1.00 0.00 O ATOM 937 CB ASN A 137 0.022 7.355 -2.982 1.00 0.00 C ATOM 938 CG ASN A 137 1.221 7.294 -3.942 1.00 0.00 C ATOM 939 OD1 ASN A 137 1.411 6.222 -4.675 1.00 0.00 O flip ATOM 940 ND2 ASN A 137 1.992 8.229 -4.028 1.00 0.00 N flip ATOM 0 H ASN A 137 1.828 5.354 -2.812 1.00 0.00 H new ATOM 0 HA ASN A 137 -0.666 6.110 -1.341 1.00 0.00 H new ATOM 0 HB2 ASN A 137 -0.886 7.602 -3.532 1.00 0.00 H new ATOM 0 HB3 ASN A 137 0.172 8.143 -2.244 1.00 0.00 H new ATOM 0 HD21 ASN A 137 1.847 9.064 -3.460 1.00 0.00 H new ATOM 0 HD22 ASN A 137 2.784 8.179 -4.669 1.00 0.00 H new ATOM 947 N TYR A 138 -1.304 3.917 -2.708 1.00 0.00 N ATOM 948 CA TYR A 138 -2.144 2.992 -3.528 1.00 0.00 C ATOM 949 C TYR A 138 -1.413 2.587 -4.801 1.00 0.00 C ATOM 950 O TYR A 138 -0.820 1.534 -4.874 1.00 0.00 O ATOM 951 CB TYR A 138 -3.445 3.691 -3.913 1.00 0.00 C ATOM 952 CG TYR A 138 -4.331 3.814 -2.703 1.00 0.00 C ATOM 953 CD1 TYR A 138 -3.824 4.300 -1.492 1.00 0.00 C ATOM 954 CD2 TYR A 138 -5.667 3.430 -2.794 1.00 0.00 C ATOM 955 CE1 TYR A 138 -4.653 4.401 -0.378 1.00 0.00 C ATOM 956 CE2 TYR A 138 -6.497 3.534 -1.679 1.00 0.00 C ATOM 957 CZ TYR A 138 -5.990 4.018 -0.472 1.00 0.00 C ATOM 958 OH TYR A 138 -6.806 4.113 0.628 1.00 0.00 O ATOM 0 H TYR A 138 -1.044 3.564 -1.787 1.00 0.00 H new ATOM 0 HA TYR A 138 -2.352 2.101 -2.935 1.00 0.00 H new ATOM 0 HB2 TYR A 138 -3.231 4.679 -4.321 1.00 0.00 H new ATOM 0 HB3 TYR A 138 -3.955 3.127 -4.694 1.00 0.00 H new ATOM 0 HD1 TYR A 138 -2.788 4.597 -1.422 1.00 0.00 H new ATOM 0 HD2 TYR A 138 -6.059 3.052 -3.727 1.00 0.00 H new ATOM 0 HE1 TYR A 138 -4.261 4.775 0.556 1.00 0.00 H new ATOM 0 HE2 TYR A 138 -7.534 3.240 -1.749 1.00 0.00 H new ATOM 0 HH TYR A 138 -7.742 4.149 0.339 1.00 0.00 H new ATOM 968 N GLU A 139 -1.470 3.402 -5.816 1.00 0.00 N ATOM 969 CA GLU A 139 -0.787 3.048 -7.083 1.00 0.00 C ATOM 970 C GLU A 139 0.603 2.499 -6.757 1.00 0.00 C ATOM 971 O GLU A 139 1.112 1.621 -7.426 1.00 0.00 O ATOM 972 CB GLU A 139 -0.655 4.291 -7.968 1.00 0.00 C ATOM 973 CG GLU A 139 -1.951 5.103 -7.909 1.00 0.00 C ATOM 974 CD GLU A 139 -2.133 5.870 -9.220 1.00 0.00 C ATOM 975 OE1 GLU A 139 -2.697 5.303 -10.141 1.00 0.00 O ATOM 976 OE2 GLU A 139 -1.705 7.010 -9.281 1.00 0.00 O ATOM 0 H GLU A 139 -1.960 4.296 -5.820 1.00 0.00 H new ATOM 0 HA GLU A 139 -1.368 2.296 -7.616 1.00 0.00 H new ATOM 0 HB2 GLU A 139 0.184 4.901 -7.633 1.00 0.00 H new ATOM 0 HB3 GLU A 139 -0.445 3.997 -8.996 1.00 0.00 H new ATOM 0 HG2 GLU A 139 -2.800 4.441 -7.742 1.00 0.00 H new ATOM 0 HG3 GLU A 139 -1.919 5.798 -7.070 1.00 0.00 H new ATOM 983 N GLU A 140 1.210 3.005 -5.717 1.00 0.00 N ATOM 984 CA GLU A 140 2.559 2.512 -5.318 1.00 0.00 C ATOM 985 C GLU A 140 2.377 1.387 -4.295 1.00 0.00 C ATOM 986 O GLU A 140 3.187 0.488 -4.178 1.00 0.00 O ATOM 987 CB GLU A 140 3.354 3.656 -4.685 1.00 0.00 C ATOM 988 CG GLU A 140 4.272 4.282 -5.737 1.00 0.00 C ATOM 989 CD GLU A 140 5.248 3.224 -6.255 1.00 0.00 C ATOM 990 OE1 GLU A 140 5.561 2.316 -5.502 1.00 0.00 O ATOM 991 OE2 GLU A 140 5.667 3.341 -7.394 1.00 0.00 O ATOM 0 H GLU A 140 0.827 3.742 -5.124 1.00 0.00 H new ATOM 0 HA GLU A 140 3.099 2.144 -6.190 1.00 0.00 H new ATOM 0 HB2 GLU A 140 2.674 4.409 -4.286 1.00 0.00 H new ATOM 0 HB3 GLU A 140 3.944 3.283 -3.847 1.00 0.00 H new ATOM 0 HG2 GLU A 140 3.680 4.681 -6.561 1.00 0.00 H new ATOM 0 HG3 GLU A 140 4.821 5.119 -5.305 1.00 0.00 H new ATOM 998 N PHE A 141 1.307 1.453 -3.554 1.00 0.00 N ATOM 999 CA PHE A 141 1.008 0.425 -2.511 1.00 0.00 C ATOM 1000 C PHE A 141 0.783 -0.953 -3.147 1.00 0.00 C ATOM 1001 O PHE A 141 0.944 -1.972 -2.506 1.00 0.00 O ATOM 1002 CB PHE A 141 -0.269 0.858 -1.789 1.00 0.00 C ATOM 1003 CG PHE A 141 -0.604 -0.095 -0.670 1.00 0.00 C ATOM 1004 CD1 PHE A 141 0.344 -1.010 -0.205 1.00 0.00 C ATOM 1005 CD2 PHE A 141 -1.876 -0.054 -0.096 1.00 0.00 C ATOM 1006 CE1 PHE A 141 0.018 -1.883 0.834 1.00 0.00 C ATOM 1007 CE2 PHE A 141 -2.206 -0.923 0.944 1.00 0.00 C ATOM 1008 CZ PHE A 141 -1.258 -1.842 1.414 1.00 0.00 C ATOM 0 H PHE A 141 0.609 2.193 -3.627 1.00 0.00 H new ATOM 0 HA PHE A 141 1.849 0.347 -1.822 1.00 0.00 H new ATOM 0 HB2 PHE A 141 -0.142 1.864 -1.389 1.00 0.00 H new ATOM 0 HB3 PHE A 141 -1.096 0.898 -2.498 1.00 0.00 H new ATOM 0 HD1 PHE A 141 1.328 -1.042 -0.649 1.00 0.00 H new ATOM 0 HD2 PHE A 141 -2.607 0.653 -0.459 1.00 0.00 H new ATOM 0 HE1 PHE A 141 0.750 -2.592 1.192 1.00 0.00 H new ATOM 0 HE2 PHE A 141 -3.191 -0.888 1.386 1.00 0.00 H new ATOM 0 HZ PHE A 141 -1.509 -2.516 2.220 1.00 0.00 H new ATOM 1018 N VAL A 142 0.407 -1.001 -4.393 1.00 0.00 N ATOM 1019 CA VAL A 142 0.168 -2.318 -5.045 1.00 0.00 C ATOM 1020 C VAL A 142 1.509 -2.944 -5.435 1.00 0.00 C ATOM 1021 O VAL A 142 1.564 -3.997 -6.039 1.00 0.00 O ATOM 1022 CB VAL A 142 -0.694 -2.115 -6.294 1.00 0.00 C ATOM 1023 CG1 VAL A 142 -0.153 -0.935 -7.103 1.00 0.00 C ATOM 1024 CG2 VAL A 142 -0.663 -3.381 -7.155 1.00 0.00 C ATOM 0 H VAL A 142 0.255 -0.187 -4.988 1.00 0.00 H new ATOM 0 HA VAL A 142 -0.350 -2.983 -4.353 1.00 0.00 H new ATOM 0 HB VAL A 142 -1.721 -1.909 -5.992 1.00 0.00 H new ATOM 0 HG11 VAL A 142 -0.767 -0.791 -7.992 1.00 0.00 H new ATOM 0 HG12 VAL A 142 -0.181 -0.032 -6.493 1.00 0.00 H new ATOM 0 HG13 VAL A 142 0.875 -1.139 -7.402 1.00 0.00 H new ATOM 0 HG21 VAL A 142 -1.278 -3.232 -8.043 1.00 0.00 H new ATOM 0 HG22 VAL A 142 0.363 -3.592 -7.455 1.00 0.00 H new ATOM 0 HG23 VAL A 142 -1.053 -4.221 -6.580 1.00 0.00 H new ATOM 1034 N GLN A 143 2.593 -2.303 -5.094 1.00 0.00 N ATOM 1035 CA GLN A 143 3.930 -2.856 -5.445 1.00 0.00 C ATOM 1036 C GLN A 143 4.430 -3.762 -4.318 1.00 0.00 C ATOM 1037 O GLN A 143 5.195 -4.678 -4.544 1.00 0.00 O ATOM 1038 CB GLN A 143 4.914 -1.702 -5.648 1.00 0.00 C ATOM 1039 CG GLN A 143 6.315 -2.261 -5.903 1.00 0.00 C ATOM 1040 CD GLN A 143 7.235 -1.135 -6.381 1.00 0.00 C ATOM 1041 OE1 GLN A 143 6.800 -0.290 -7.275 1.00 0.00 O flip ATOM 1042 NE2 GLN A 143 8.359 -1.023 -5.936 1.00 0.00 N flip ATOM 0 H GLN A 143 2.610 -1.418 -4.586 1.00 0.00 H new ATOM 0 HA GLN A 143 3.851 -3.439 -6.363 1.00 0.00 H new ATOM 0 HB2 GLN A 143 4.599 -1.086 -6.490 1.00 0.00 H new ATOM 0 HB3 GLN A 143 4.923 -1.059 -4.768 1.00 0.00 H new ATOM 0 HG2 GLN A 143 6.712 -2.707 -4.991 1.00 0.00 H new ATOM 0 HG3 GLN A 143 6.272 -3.052 -6.652 1.00 0.00 H new ATOM 0 HE21 GLN A 143 8.699 -1.684 -5.237 1.00 0.00 H new ATOM 0 HE22 GLN A 143 8.963 -0.268 -6.261 1.00 0.00 H new ATOM 1051 N MET A 144 4.016 -3.515 -3.102 1.00 0.00 N ATOM 1052 CA MET A 144 4.495 -4.378 -1.976 1.00 0.00 C ATOM 1053 C MET A 144 3.545 -5.563 -1.783 1.00 0.00 C ATOM 1054 O MET A 144 3.840 -6.489 -1.054 1.00 0.00 O ATOM 1055 CB MET A 144 4.576 -3.590 -0.661 1.00 0.00 C ATOM 1056 CG MET A 144 4.188 -2.136 -0.889 1.00 0.00 C ATOM 1057 SD MET A 144 4.894 -1.109 0.415 1.00 0.00 S ATOM 1058 CE MET A 144 4.473 0.472 -0.343 1.00 0.00 C ATOM 0 H MET A 144 3.376 -2.765 -2.840 1.00 0.00 H new ATOM 0 HA MET A 144 5.493 -4.733 -2.235 1.00 0.00 H new ATOM 0 HB2 MET A 144 3.914 -4.038 0.080 1.00 0.00 H new ATOM 0 HB3 MET A 144 5.588 -3.644 -0.259 1.00 0.00 H new ATOM 0 HG2 MET A 144 4.546 -1.802 -1.863 1.00 0.00 H new ATOM 0 HG3 MET A 144 3.103 -2.036 -0.897 1.00 0.00 H new ATOM 0 HE1 MET A 144 5.367 1.092 -0.412 1.00 0.00 H new ATOM 0 HE2 MET A 144 4.072 0.301 -1.342 1.00 0.00 H new ATOM 0 HE3 MET A 144 3.726 0.980 0.266 1.00 0.00 H new ATOM 1068 N MET A 145 2.407 -5.546 -2.422 1.00 0.00 N ATOM 1069 CA MET A 145 1.451 -6.682 -2.258 1.00 0.00 C ATOM 1070 C MET A 145 1.551 -7.620 -3.462 1.00 0.00 C ATOM 1071 O MET A 145 1.019 -8.711 -3.455 1.00 0.00 O ATOM 1072 CB MET A 145 0.007 -6.167 -2.128 1.00 0.00 C ATOM 1073 CG MET A 145 -0.102 -4.724 -2.633 1.00 0.00 C ATOM 1074 SD MET A 145 -1.707 -4.041 -2.155 1.00 0.00 S ATOM 1075 CE MET A 145 -1.505 -4.228 -0.368 1.00 0.00 C ATOM 0 H MET A 145 2.098 -4.801 -3.047 1.00 0.00 H new ATOM 0 HA MET A 145 1.712 -7.222 -1.348 1.00 0.00 H new ATOM 0 HB2 MET A 145 -0.666 -6.808 -2.697 1.00 0.00 H new ATOM 0 HB3 MET A 145 -0.310 -6.218 -1.086 1.00 0.00 H new ATOM 0 HG2 MET A 145 0.702 -4.119 -2.215 1.00 0.00 H new ATOM 0 HG3 MET A 145 0.009 -4.697 -3.717 1.00 0.00 H new ATOM 0 HE1 MET A 145 -2.224 -3.591 0.148 1.00 0.00 H new ATOM 0 HE2 MET A 145 -1.676 -5.268 -0.089 1.00 0.00 H new ATOM 0 HE3 MET A 145 -0.493 -3.938 -0.084 1.00 0.00 H new ATOM 1085 N THR A 146 2.230 -7.207 -4.498 1.00 0.00 N ATOM 1086 CA THR A 146 2.358 -8.083 -5.697 1.00 0.00 C ATOM 1087 C THR A 146 3.638 -7.733 -6.455 1.00 0.00 C ATOM 1088 O THR A 146 3.751 -7.967 -7.643 1.00 0.00 O ATOM 1089 CB THR A 146 1.148 -7.879 -6.613 1.00 0.00 C ATOM 1090 OG1 THR A 146 1.226 -8.783 -7.705 1.00 0.00 O ATOM 1091 CG2 THR A 146 1.139 -6.442 -7.135 1.00 0.00 C ATOM 0 H THR A 146 2.700 -6.304 -4.566 1.00 0.00 H new ATOM 0 HA THR A 146 2.400 -9.125 -5.379 1.00 0.00 H new ATOM 0 HB THR A 146 0.231 -8.065 -6.053 1.00 0.00 H new ATOM 0 HG1 THR A 146 2.146 -8.811 -8.042 1.00 0.00 H new ATOM 0 HG21 THR A 146 0.278 -6.297 -7.787 1.00 0.00 H new ATOM 0 HG22 THR A 146 1.079 -5.750 -6.295 1.00 0.00 H new ATOM 0 HG23 THR A 146 2.054 -6.253 -7.696 1.00 0.00 H new