USER MOD reduce.3.24.130724 H: found=0, std=0, add=439, rem=0, adj=14 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 Single : A 97 ASN : amide:sc= -0.107 X(o=-0.11,f=-0.54) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= -0.273 USER MOD Single : A 107 HIS :FLIP no HD1:sc= -1.3 F(o=-3.6!,f=-1.3) USER MOD Single : A 109 MET CE :methyl -177:sc= -22.4! (180deg=-22.8!) USER MOD Single : A 110 THR OG1 : rot -32:sc= 0.203 USER MOD Single : A 111 ASN : amide:sc= -10.7! C(o=-11!,f=-14!) USER MOD Single : A 115 LYS NZ :NH3+ 153:sc= -0.0446 (180deg=-0.306) USER MOD Single : A 117 THR OG1 : rot 180:sc= 0 USER MOD Single : A 124 MET CE :methyl -172:sc= -0.0344 (180deg=-0.297) USER MOD Single : A 135 GLN : amide:sc= -1.75 K(o=-1.8,f=-7.5!) USER MOD Single : A 137 ASN :FLIP amide:sc= -1.26 F(o=-4.5!,f=-1.3) USER MOD Single : A 138 TYR OH : rot 8:sc= -9.33! USER MOD Single : A 143 GLN :FLIP amide:sc= -0.078 F(o=-0.89,f=-0.078) USER MOD Single : A 144 MET CE :methyl -138:sc= -3.29! (180deg=-6.31!) USER MOD Single : A 145 MET CE :methyl -148:sc= -19.7! (180deg=-21.8!) USER MOD Single : A 146 THR OG1 : rot -59:sc= 1.04 USER MOD ----------------------------------------------------------------- ATOM 91 N GLU A 82 -6.122 -2.882 -7.713 1.00 0.00 N ATOM 92 CA GLU A 82 -6.164 -2.142 -6.422 1.00 0.00 C ATOM 93 C GLU A 82 -7.601 -2.120 -5.895 1.00 0.00 C ATOM 94 O GLU A 82 -7.939 -1.352 -5.016 1.00 0.00 O ATOM 95 CB GLU A 82 -5.677 -0.708 -6.637 1.00 0.00 C ATOM 96 CG GLU A 82 -4.404 -0.724 -7.486 1.00 0.00 C ATOM 97 CD GLU A 82 -4.169 0.665 -8.082 1.00 0.00 C ATOM 98 OE1 GLU A 82 -4.520 1.635 -7.430 1.00 0.00 O ATOM 99 OE2 GLU A 82 -3.641 0.736 -9.179 1.00 0.00 O ATOM 0 HA GLU A 82 -5.518 -2.638 -5.698 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -6.450 -0.120 -7.132 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -5.481 -0.231 -5.677 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -3.551 -1.018 -6.875 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -4.495 -1.462 -8.283 1.00 0.00 H new ATOM 106 N GLU A 83 -8.450 -2.957 -6.426 1.00 0.00 N ATOM 107 CA GLU A 83 -9.863 -2.983 -5.956 1.00 0.00 C ATOM 108 C GLU A 83 -9.904 -3.451 -4.500 1.00 0.00 C ATOM 109 O GLU A 83 -10.747 -3.037 -3.729 1.00 0.00 O ATOM 110 CB GLU A 83 -10.674 -3.946 -6.825 1.00 0.00 C ATOM 111 CG GLU A 83 -10.886 -3.330 -8.209 1.00 0.00 C ATOM 112 CD GLU A 83 -12.080 -2.374 -8.165 1.00 0.00 C ATOM 113 OE1 GLU A 83 -12.422 -1.935 -7.079 1.00 0.00 O ATOM 114 OE2 GLU A 83 -12.633 -2.099 -9.217 1.00 0.00 O ATOM 0 H GLU A 83 -8.226 -3.624 -7.165 1.00 0.00 H new ATOM 0 HA GLU A 83 -10.290 -1.983 -6.030 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -10.152 -4.898 -6.915 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -11.636 -4.153 -6.356 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -9.989 -2.795 -8.522 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -11.062 -4.115 -8.945 1.00 0.00 H new ATOM 121 N GLU A 84 -8.999 -4.310 -4.118 1.00 0.00 N ATOM 122 CA GLU A 84 -8.981 -4.803 -2.712 1.00 0.00 C ATOM 123 C GLU A 84 -7.907 -4.048 -1.923 1.00 0.00 C ATOM 124 O GLU A 84 -7.919 -4.014 -0.709 1.00 0.00 O ATOM 125 CB GLU A 84 -8.665 -6.301 -2.702 1.00 0.00 C ATOM 126 CG GLU A 84 -9.954 -7.093 -2.470 1.00 0.00 C ATOM 127 CD GLU A 84 -9.955 -8.337 -3.360 1.00 0.00 C ATOM 128 OE1 GLU A 84 -9.205 -9.253 -3.067 1.00 0.00 O ATOM 129 OE2 GLU A 84 -10.708 -8.354 -4.321 1.00 0.00 O ATOM 0 H GLU A 84 -8.270 -4.692 -4.720 1.00 0.00 H new ATOM 0 HA GLU A 84 -9.955 -4.635 -2.253 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -8.211 -6.594 -3.649 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -7.941 -6.526 -1.918 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -10.032 -7.382 -1.422 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -10.821 -6.471 -2.694 1.00 0.00 H new ATOM 136 N ILE A 85 -6.977 -3.445 -2.611 1.00 0.00 N ATOM 137 CA ILE A 85 -5.894 -2.689 -1.917 1.00 0.00 C ATOM 138 C ILE A 85 -6.456 -1.388 -1.345 1.00 0.00 C ATOM 139 O ILE A 85 -6.470 -1.180 -0.149 1.00 0.00 O ATOM 140 CB ILE A 85 -4.796 -2.351 -2.922 1.00 0.00 C ATOM 141 CG1 ILE A 85 -4.257 -3.642 -3.542 1.00 0.00 C ATOM 142 CG2 ILE A 85 -3.667 -1.611 -2.205 1.00 0.00 C ATOM 143 CD1 ILE A 85 -3.208 -3.298 -4.599 1.00 0.00 C ATOM 0 H ILE A 85 -6.920 -3.443 -3.629 1.00 0.00 H new ATOM 0 HA ILE A 85 -5.490 -3.299 -1.109 1.00 0.00 H new ATOM 0 HB ILE A 85 -5.202 -1.717 -3.710 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -3.818 -4.274 -2.770 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -5.071 -4.209 -3.993 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -2.880 -1.368 -2.919 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -4.056 -0.692 -1.766 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -3.259 -2.245 -1.418 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -2.823 -4.217 -5.042 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -3.662 -2.683 -5.376 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -2.390 -2.748 -4.134 1.00 0.00 H new ATOM 155 N ARG A 86 -6.905 -0.503 -2.193 1.00 0.00 N ATOM 156 CA ARG A 86 -7.447 0.788 -1.694 1.00 0.00 C ATOM 157 C ARG A 86 -8.368 0.524 -0.499 1.00 0.00 C ATOM 158 O ARG A 86 -8.369 1.260 0.466 1.00 0.00 O ATOM 159 CB ARG A 86 -8.184 1.516 -2.840 1.00 0.00 C ATOM 160 CG ARG A 86 -9.700 1.551 -2.611 1.00 0.00 C ATOM 161 CD ARG A 86 -10.034 2.527 -1.478 1.00 0.00 C ATOM 162 NE ARG A 86 -10.975 3.568 -1.979 1.00 0.00 N ATOM 163 CZ ARG A 86 -12.072 3.216 -2.591 1.00 0.00 C ATOM 164 NH1 ARG A 86 -12.756 2.189 -2.165 1.00 0.00 N ATOM 165 NH2 ARG A 86 -12.486 3.889 -3.630 1.00 0.00 N ATOM 0 H ARG A 86 -6.919 -0.620 -3.206 1.00 0.00 H new ATOM 0 HA ARG A 86 -6.637 1.435 -1.357 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -7.806 2.535 -2.926 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -7.971 1.016 -3.785 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -10.208 1.855 -3.526 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -10.062 0.554 -2.362 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -10.481 1.990 -0.641 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -9.122 2.995 -1.106 1.00 0.00 H new ATOM 0 HE ARG A 86 -10.761 4.556 -1.843 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -12.433 1.662 -1.354 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -13.614 1.914 -2.643 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -11.952 4.691 -3.964 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -13.344 3.613 -4.108 1.00 0.00 H new ATOM 179 N GLU A 87 -9.142 -0.525 -0.544 1.00 0.00 N ATOM 180 CA GLU A 87 -10.038 -0.822 0.607 1.00 0.00 C ATOM 181 C GLU A 87 -9.166 -1.068 1.836 1.00 0.00 C ATOM 182 O GLU A 87 -9.393 -0.520 2.895 1.00 0.00 O ATOM 183 CB GLU A 87 -10.876 -2.066 0.308 1.00 0.00 C ATOM 184 CG GLU A 87 -11.311 -2.045 -1.157 1.00 0.00 C ATOM 185 CD GLU A 87 -12.461 -3.033 -1.363 1.00 0.00 C ATOM 186 OE1 GLU A 87 -12.202 -4.225 -1.345 1.00 0.00 O ATOM 187 OE2 GLU A 87 -13.581 -2.581 -1.534 1.00 0.00 O ATOM 0 H GLU A 87 -9.193 -1.184 -1.321 1.00 0.00 H new ATOM 0 HA GLU A 87 -10.713 0.015 0.784 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -10.297 -2.966 0.514 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -11.750 -2.094 0.958 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -11.626 -1.040 -1.439 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -10.472 -2.309 -1.800 1.00 0.00 H new ATOM 194 N ALA A 88 -8.149 -1.872 1.687 1.00 0.00 N ATOM 195 CA ALA A 88 -7.235 -2.137 2.830 1.00 0.00 C ATOM 196 C ALA A 88 -6.169 -1.041 2.845 1.00 0.00 C ATOM 197 O ALA A 88 -5.003 -1.286 2.607 1.00 0.00 O ATOM 198 CB ALA A 88 -6.570 -3.504 2.652 1.00 0.00 C ATOM 0 H ALA A 88 -7.913 -2.357 0.821 1.00 0.00 H new ATOM 0 HA ALA A 88 -7.790 -2.139 3.768 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -5.901 -3.695 3.491 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -7.336 -4.279 2.615 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -5.999 -3.513 1.723 1.00 0.00 H new ATOM 204 N PHE A 89 -6.572 0.170 3.111 1.00 0.00 N ATOM 205 CA PHE A 89 -5.610 1.305 3.133 1.00 0.00 C ATOM 206 C PHE A 89 -6.396 2.615 3.185 1.00 0.00 C ATOM 207 O PHE A 89 -5.889 3.636 3.606 1.00 0.00 O ATOM 208 CB PHE A 89 -4.744 1.279 1.869 1.00 0.00 C ATOM 209 CG PHE A 89 -3.282 1.357 2.247 1.00 0.00 C ATOM 210 CD1 PHE A 89 -2.816 0.690 3.384 1.00 0.00 C ATOM 211 CD2 PHE A 89 -2.390 2.098 1.463 1.00 0.00 C ATOM 212 CE1 PHE A 89 -1.464 0.760 3.734 1.00 0.00 C ATOM 213 CE2 PHE A 89 -1.042 2.167 1.812 1.00 0.00 C ATOM 214 CZ PHE A 89 -0.574 1.497 2.947 1.00 0.00 C ATOM 0 H PHE A 89 -7.538 0.424 3.316 1.00 0.00 H new ATOM 0 HA PHE A 89 -4.964 1.221 4.007 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -4.935 0.366 1.305 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -5.006 2.115 1.220 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -3.502 0.120 3.993 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -2.747 2.617 0.586 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -1.107 0.244 4.613 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -0.357 2.740 1.204 1.00 0.00 H new ATOM 0 HZ PHE A 89 0.471 1.549 3.215 1.00 0.00 H new ATOM 224 N ARG A 90 -7.640 2.593 2.780 1.00 0.00 N ATOM 225 CA ARG A 90 -8.450 3.827 2.829 1.00 0.00 C ATOM 226 C ARG A 90 -8.624 4.208 4.289 1.00 0.00 C ATOM 227 O ARG A 90 -8.940 5.332 4.625 1.00 0.00 O ATOM 228 CB ARG A 90 -9.813 3.575 2.179 1.00 0.00 C ATOM 229 CG ARG A 90 -10.690 2.722 3.102 1.00 0.00 C ATOM 230 CD ARG A 90 -12.137 2.706 2.586 1.00 0.00 C ATOM 231 NE ARG A 90 -12.193 3.216 1.184 1.00 0.00 N ATOM 232 CZ ARG A 90 -13.134 4.049 0.830 1.00 0.00 C ATOM 233 NH1 ARG A 90 -14.368 3.637 0.739 1.00 0.00 N ATOM 234 NH2 ARG A 90 -12.839 5.293 0.568 1.00 0.00 N ATOM 0 H ARG A 90 -8.122 1.770 2.419 1.00 0.00 H new ATOM 0 HA ARG A 90 -7.958 4.634 2.286 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -10.306 4.525 1.972 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -9.680 3.070 1.222 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -10.301 1.705 3.149 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -10.661 3.121 4.116 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -12.534 1.692 2.627 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -12.766 3.321 3.229 1.00 0.00 H new ATOM 0 HE ARG A 90 -11.496 2.914 0.503 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -14.597 2.665 0.944 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -15.104 4.287 0.463 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -11.874 5.614 0.640 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -13.574 5.944 0.291 1.00 0.00 H new ATOM 248 N VAL A 91 -8.408 3.266 5.160 1.00 0.00 N ATOM 249 CA VAL A 91 -8.542 3.543 6.605 1.00 0.00 C ATOM 250 C VAL A 91 -7.764 4.813 6.938 1.00 0.00 C ATOM 251 O VAL A 91 -8.122 5.566 7.822 1.00 0.00 O ATOM 252 CB VAL A 91 -7.966 2.368 7.392 1.00 0.00 C ATOM 253 CG1 VAL A 91 -8.167 2.605 8.889 1.00 0.00 C ATOM 254 CG2 VAL A 91 -8.680 1.084 6.972 1.00 0.00 C ATOM 0 H VAL A 91 -8.142 2.309 4.926 1.00 0.00 H new ATOM 0 HA VAL A 91 -9.591 3.677 6.867 1.00 0.00 H new ATOM 0 HB VAL A 91 -6.900 2.276 7.186 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -7.755 1.765 9.449 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -7.657 3.522 9.184 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -9.232 2.697 9.103 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -8.273 0.242 7.531 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -9.746 1.176 7.180 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -8.531 0.917 5.905 1.00 0.00 H new ATOM 264 N PHE A 92 -6.697 5.050 6.228 1.00 0.00 N ATOM 265 CA PHE A 92 -5.879 6.261 6.482 1.00 0.00 C ATOM 266 C PHE A 92 -6.115 7.260 5.348 1.00 0.00 C ATOM 267 O PHE A 92 -6.142 8.458 5.551 1.00 0.00 O ATOM 268 CB PHE A 92 -4.410 5.852 6.526 1.00 0.00 C ATOM 269 CG PHE A 92 -4.219 4.840 7.632 1.00 0.00 C ATOM 270 CD1 PHE A 92 -3.927 5.273 8.930 1.00 0.00 C ATOM 271 CD2 PHE A 92 -4.339 3.471 7.361 1.00 0.00 C ATOM 272 CE1 PHE A 92 -3.751 4.337 9.957 1.00 0.00 C ATOM 273 CE2 PHE A 92 -4.162 2.536 8.388 1.00 0.00 C ATOM 274 CZ PHE A 92 -3.869 2.968 9.686 1.00 0.00 C ATOM 0 H PHE A 92 -6.356 4.450 5.477 1.00 0.00 H new ATOM 0 HA PHE A 92 -6.155 6.724 7.430 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -4.108 5.427 5.569 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -3.780 6.725 6.700 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -3.837 6.329 9.140 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -4.568 3.137 6.360 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -3.524 4.671 10.959 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -4.252 1.480 8.178 1.00 0.00 H new ATOM 0 HZ PHE A 92 -3.734 2.247 10.478 1.00 0.00 H new ATOM 284 N ASP A 93 -6.302 6.765 4.156 1.00 0.00 N ATOM 285 CA ASP A 93 -6.557 7.660 2.996 1.00 0.00 C ATOM 286 C ASP A 93 -8.063 7.950 2.922 1.00 0.00 C ATOM 287 O ASP A 93 -8.693 7.793 1.896 1.00 0.00 O ATOM 288 CB ASP A 93 -6.093 6.956 1.715 1.00 0.00 C ATOM 289 CG ASP A 93 -6.570 7.736 0.488 1.00 0.00 C ATOM 290 OD1 ASP A 93 -7.023 8.855 0.662 1.00 0.00 O ATOM 291 OD2 ASP A 93 -6.475 7.201 -0.604 1.00 0.00 O ATOM 0 H ASP A 93 -6.289 5.769 3.936 1.00 0.00 H new ATOM 0 HA ASP A 93 -6.012 8.597 3.107 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -5.006 6.878 1.706 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -6.486 5.940 1.686 1.00 0.00 H new ATOM 337 N ASN A 97 -5.919 11.377 0.782 1.00 0.00 N ATOM 338 CA ASN A 97 -4.454 11.648 0.781 1.00 0.00 C ATOM 339 C ASN A 97 -3.791 10.783 -0.291 1.00 0.00 C ATOM 340 O ASN A 97 -2.984 11.247 -1.071 1.00 0.00 O ATOM 341 CB ASN A 97 -3.866 11.301 2.152 1.00 0.00 C ATOM 342 CG ASN A 97 -3.139 12.521 2.719 1.00 0.00 C ATOM 343 OD1 ASN A 97 -2.139 12.953 2.181 1.00 0.00 O ATOM 344 ND2 ASN A 97 -3.600 13.098 3.796 1.00 0.00 N ATOM 0 HA ASN A 97 -4.275 12.702 0.570 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -4.659 10.989 2.831 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -3.176 10.462 2.062 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -3.121 13.910 4.184 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -4.439 12.736 4.249 1.00 0.00 H new ATOM 351 N GLY A 98 -4.127 9.524 -0.326 1.00 0.00 N ATOM 352 CA GLY A 98 -3.524 8.610 -1.334 1.00 0.00 C ATOM 353 C GLY A 98 -2.254 8.009 -0.744 1.00 0.00 C ATOM 354 O GLY A 98 -2.144 6.815 -0.551 1.00 0.00 O ATOM 0 H GLY A 98 -4.798 9.086 0.305 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -4.228 7.821 -1.599 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -3.295 9.155 -2.250 1.00 0.00 H new ATOM 358 N TYR A 99 -1.300 8.842 -0.447 1.00 0.00 N ATOM 359 CA TYR A 99 -0.028 8.355 0.143 1.00 0.00 C ATOM 360 C TYR A 99 -0.145 8.344 1.663 1.00 0.00 C ATOM 361 O TYR A 99 -0.741 9.219 2.258 1.00 0.00 O ATOM 362 CB TYR A 99 1.118 9.274 -0.306 1.00 0.00 C ATOM 363 CG TYR A 99 1.294 10.423 0.664 1.00 0.00 C ATOM 364 CD1 TYR A 99 2.128 10.274 1.778 1.00 0.00 C ATOM 365 CD2 TYR A 99 0.623 11.633 0.448 1.00 0.00 C ATOM 366 CE1 TYR A 99 2.292 11.335 2.677 1.00 0.00 C ATOM 367 CE2 TYR A 99 0.788 12.694 1.347 1.00 0.00 C ATOM 368 CZ TYR A 99 1.623 12.544 2.461 1.00 0.00 C ATOM 369 OH TYR A 99 1.784 13.590 3.347 1.00 0.00 O ATOM 0 H TYR A 99 -1.349 9.851 -0.590 1.00 0.00 H new ATOM 0 HA TYR A 99 0.179 7.340 -0.196 1.00 0.00 H new ATOM 0 HB2 TYR A 99 2.044 8.703 -0.373 1.00 0.00 H new ATOM 0 HB3 TYR A 99 0.910 9.662 -1.303 1.00 0.00 H new ATOM 0 HD1 TYR A 99 2.645 9.341 1.944 1.00 0.00 H new ATOM 0 HD2 TYR A 99 -0.021 11.748 -0.411 1.00 0.00 H new ATOM 0 HE1 TYR A 99 2.935 11.220 3.537 1.00 0.00 H new ATOM 0 HE2 TYR A 99 0.271 13.628 1.181 1.00 0.00 H new ATOM 0 HH TYR A 99 1.250 14.356 3.049 1.00 0.00 H new ATOM 379 N ILE A 100 0.423 7.362 2.295 1.00 0.00 N ATOM 380 CA ILE A 100 0.343 7.304 3.771 1.00 0.00 C ATOM 381 C ILE A 100 1.724 6.986 4.347 1.00 0.00 C ATOM 382 O ILE A 100 2.655 6.687 3.626 1.00 0.00 O ATOM 383 CB ILE A 100 -0.674 6.244 4.193 1.00 0.00 C ATOM 384 CG1 ILE A 100 -0.759 5.125 3.142 1.00 0.00 C ATOM 385 CG2 ILE A 100 -2.043 6.908 4.346 1.00 0.00 C ATOM 386 CD1 ILE A 100 -1.970 4.242 3.437 1.00 0.00 C ATOM 0 H ILE A 100 0.937 6.600 1.853 1.00 0.00 H new ATOM 0 HA ILE A 100 0.017 8.270 4.157 1.00 0.00 H new ATOM 0 HB ILE A 100 -0.360 5.804 5.139 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -0.843 5.554 2.144 1.00 0.00 H new ATOM 0 HG13 ILE A 100 0.153 4.528 3.156 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -2.778 6.161 4.647 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -1.986 7.688 5.105 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -2.342 7.349 3.395 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -2.031 3.448 2.693 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -1.867 3.802 4.429 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -2.877 4.845 3.400 1.00 0.00 H new ATOM 398 N SER A 101 1.864 7.071 5.639 1.00 0.00 N ATOM 399 CA SER A 101 3.187 6.800 6.271 1.00 0.00 C ATOM 400 C SER A 101 3.484 5.303 6.255 1.00 0.00 C ATOM 401 O SER A 101 2.623 4.488 5.988 1.00 0.00 O ATOM 402 CB SER A 101 3.146 7.279 7.719 1.00 0.00 C ATOM 403 OG SER A 101 4.400 7.021 8.336 1.00 0.00 O ATOM 0 H SER A 101 1.117 7.317 6.288 1.00 0.00 H new ATOM 0 HA SER A 101 3.964 7.324 5.715 1.00 0.00 H new ATOM 0 HB2 SER A 101 2.923 8.345 7.755 1.00 0.00 H new ATOM 0 HB3 SER A 101 2.350 6.768 8.260 1.00 0.00 H new ATOM 0 HG SER A 101 4.377 7.329 9.266 1.00 0.00 H new ATOM 409 N ALA A 102 4.700 4.935 6.561 1.00 0.00 N ATOM 410 CA ALA A 102 5.050 3.490 6.588 1.00 0.00 C ATOM 411 C ALA A 102 4.186 2.811 7.643 1.00 0.00 C ATOM 412 O ALA A 102 3.749 1.694 7.477 1.00 0.00 O ATOM 413 CB ALA A 102 6.529 3.325 6.946 1.00 0.00 C ATOM 0 H ALA A 102 5.462 5.572 6.792 1.00 0.00 H new ATOM 0 HA ALA A 102 4.874 3.040 5.611 1.00 0.00 H new ATOM 0 HB1 ALA A 102 6.783 2.265 6.965 1.00 0.00 H new ATOM 0 HB2 ALA A 102 7.142 3.832 6.201 1.00 0.00 H new ATOM 0 HB3 ALA A 102 6.717 3.761 7.927 1.00 0.00 H new ATOM 419 N ALA A 103 3.921 3.488 8.728 1.00 0.00 N ATOM 420 CA ALA A 103 3.068 2.884 9.783 1.00 0.00 C ATOM 421 C ALA A 103 1.725 2.506 9.163 1.00 0.00 C ATOM 422 O ALA A 103 1.089 1.551 9.562 1.00 0.00 O ATOM 423 CB ALA A 103 2.850 3.895 10.910 1.00 0.00 C ATOM 0 H ALA A 103 4.259 4.430 8.926 1.00 0.00 H new ATOM 0 HA ALA A 103 3.552 1.998 10.193 1.00 0.00 H new ATOM 0 HB1 ALA A 103 2.224 3.449 11.683 1.00 0.00 H new ATOM 0 HB2 ALA A 103 3.812 4.174 11.339 1.00 0.00 H new ATOM 0 HB3 ALA A 103 2.359 4.783 10.512 1.00 0.00 H new ATOM 429 N GLU A 104 1.292 3.245 8.176 1.00 0.00 N ATOM 430 CA GLU A 104 -0.001 2.921 7.519 1.00 0.00 C ATOM 431 C GLU A 104 0.128 1.584 6.801 1.00 0.00 C ATOM 432 O GLU A 104 -0.806 0.812 6.734 1.00 0.00 O ATOM 433 CB GLU A 104 -0.348 4.000 6.497 1.00 0.00 C ATOM 434 CG GLU A 104 -1.474 4.879 7.043 1.00 0.00 C ATOM 435 CD GLU A 104 -0.913 6.250 7.425 1.00 0.00 C ATOM 436 OE1 GLU A 104 -0.036 6.295 8.273 1.00 0.00 O ATOM 437 OE2 GLU A 104 -1.370 7.232 6.865 1.00 0.00 O ATOM 0 H GLU A 104 1.780 4.058 7.799 1.00 0.00 H new ATOM 0 HA GLU A 104 -0.786 2.870 8.273 1.00 0.00 H new ATOM 0 HB2 GLU A 104 0.531 4.608 6.283 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -0.655 3.540 5.557 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -2.258 4.991 6.294 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -1.930 4.406 7.913 1.00 0.00 H new ATOM 444 N LEU A 105 1.279 1.303 6.257 1.00 0.00 N ATOM 445 CA LEU A 105 1.461 0.013 5.544 1.00 0.00 C ATOM 446 C LEU A 105 1.635 -1.109 6.570 1.00 0.00 C ATOM 447 O LEU A 105 0.858 -2.030 6.631 1.00 0.00 O ATOM 448 CB LEU A 105 2.694 0.092 4.646 1.00 0.00 C ATOM 449 CG LEU A 105 2.273 -0.172 3.203 1.00 0.00 C ATOM 450 CD1 LEU A 105 2.849 0.914 2.304 1.00 0.00 C ATOM 451 CD2 LEU A 105 2.800 -1.535 2.754 1.00 0.00 C ATOM 0 H LEU A 105 2.098 1.910 6.276 1.00 0.00 H new ATOM 0 HA LEU A 105 0.586 -0.192 4.927 1.00 0.00 H new ATOM 0 HB2 LEU A 105 3.159 1.075 4.729 1.00 0.00 H new ATOM 0 HB3 LEU A 105 3.438 -0.640 4.962 1.00 0.00 H new ATOM 0 HG LEU A 105 1.185 -0.166 3.136 1.00 0.00 H new ATOM 0 HD11 LEU A 105 2.550 0.729 1.272 1.00 0.00 H new ATOM 0 HD12 LEU A 105 2.473 1.887 2.622 1.00 0.00 H new ATOM 0 HD13 LEU A 105 3.937 0.905 2.374 1.00 0.00 H new ATOM 0 HD21 LEU A 105 2.498 -1.720 1.723 1.00 0.00 H new ATOM 0 HD22 LEU A 105 3.888 -1.544 2.820 1.00 0.00 H new ATOM 0 HD23 LEU A 105 2.391 -2.313 3.398 1.00 0.00 H new ATOM 463 N ARG A 106 2.641 -1.039 7.387 1.00 0.00 N ATOM 464 CA ARG A 106 2.835 -2.109 8.406 1.00 0.00 C ATOM 465 C ARG A 106 1.492 -2.440 9.064 1.00 0.00 C ATOM 466 O ARG A 106 1.205 -3.575 9.390 1.00 0.00 O ATOM 467 CB ARG A 106 3.801 -1.611 9.477 1.00 0.00 C ATOM 468 CG ARG A 106 3.254 -0.331 10.111 1.00 0.00 C ATOM 469 CD ARG A 106 2.310 -0.692 11.259 1.00 0.00 C ATOM 470 NE ARG A 106 2.918 -0.275 12.553 1.00 0.00 N ATOM 471 CZ ARG A 106 2.171 -0.153 13.616 1.00 0.00 C ATOM 472 NH1 ARG A 106 1.844 -1.209 14.308 1.00 0.00 N ATOM 473 NH2 ARG A 106 1.749 1.025 13.985 1.00 0.00 N ATOM 0 H ARG A 106 3.337 -0.293 7.397 1.00 0.00 H new ATOM 0 HA ARG A 106 3.237 -3.000 7.924 1.00 0.00 H new ATOM 0 HB2 ARG A 106 3.938 -2.376 10.241 1.00 0.00 H new ATOM 0 HB3 ARG A 106 4.780 -1.421 9.037 1.00 0.00 H new ATOM 0 HG2 ARG A 106 4.075 0.284 10.481 1.00 0.00 H new ATOM 0 HG3 ARG A 106 2.725 0.260 9.363 1.00 0.00 H new ATOM 0 HD2 ARG A 106 1.348 -0.198 11.121 1.00 0.00 H new ATOM 0 HD3 ARG A 106 2.120 -1.765 11.264 1.00 0.00 H new ATOM 0 HE ARG A 106 3.919 -0.085 12.608 1.00 0.00 H new ATOM 0 HH11 ARG A 106 2.172 -2.130 14.018 1.00 0.00 H new ATOM 0 HH12 ARG A 106 1.260 -1.114 15.139 1.00 0.00 H new ATOM 0 HH21 ARG A 106 2.003 1.851 13.443 1.00 0.00 H new ATOM 0 HH22 ARG A 106 1.165 1.120 14.816 1.00 0.00 H new ATOM 487 N HIS A 107 0.686 -1.443 9.278 1.00 0.00 N ATOM 488 CA HIS A 107 -0.637 -1.656 9.943 1.00 0.00 C ATOM 489 C HIS A 107 -1.675 -2.264 8.982 1.00 0.00 C ATOM 490 O HIS A 107 -2.432 -3.133 9.360 1.00 0.00 O ATOM 491 CB HIS A 107 -1.164 -0.310 10.446 1.00 0.00 C ATOM 492 CG HIS A 107 -2.503 -0.508 11.102 1.00 0.00 C ATOM 493 ND1 HIS A 107 -3.670 -1.072 10.650 1.00 0.00 N flip ATOM 494 CD2 HIS A 107 -2.758 -0.096 12.401 1.00 0.00 C flip ATOM 495 CE1 HIS A 107 -4.636 -1.011 11.650 1.00 0.00 C flip ATOM 496 NE2 HIS A 107 -4.035 -0.415 12.683 1.00 0.00 N flip ATOM 0 H HIS A 107 0.884 -0.476 9.020 1.00 0.00 H new ATOM 0 HA HIS A 107 -0.488 -2.354 10.767 1.00 0.00 H new ATOM 0 HB2 HIS A 107 -0.461 0.126 11.156 1.00 0.00 H new ATOM 0 HB3 HIS A 107 -1.254 0.390 9.616 1.00 0.00 H new ATOM 0 HD2 HIS A 107 -2.060 0.392 13.065 1.00 0.00 H new ATOM 0 HE1 HIS A 107 -5.654 -1.369 11.601 1.00 0.00 H new ATOM 0 HE2 HIS A 107 -4.488 -0.225 13.577 1.00 0.00 H new ATOM 504 N VAL A 108 -1.747 -1.798 7.762 1.00 0.00 N ATOM 505 CA VAL A 108 -2.775 -2.346 6.817 1.00 0.00 C ATOM 506 C VAL A 108 -2.226 -3.546 6.054 1.00 0.00 C ATOM 507 O VAL A 108 -2.864 -4.565 5.964 1.00 0.00 O ATOM 508 CB VAL A 108 -3.188 -1.265 5.822 1.00 0.00 C ATOM 509 CG1 VAL A 108 -4.517 -1.658 5.177 1.00 0.00 C ATOM 510 CG2 VAL A 108 -3.355 0.070 6.548 1.00 0.00 C ATOM 0 H VAL A 108 -1.146 -1.069 7.378 1.00 0.00 H new ATOM 0 HA VAL A 108 -3.639 -2.665 7.400 1.00 0.00 H new ATOM 0 HB VAL A 108 -2.419 -1.165 5.056 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -4.817 -0.889 4.465 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -4.402 -2.609 4.657 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -5.281 -1.756 5.948 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -3.650 0.838 5.833 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -4.124 -0.027 7.315 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -2.411 0.351 7.014 1.00 0.00 H new ATOM 520 N MET A 109 -1.069 -3.431 5.478 1.00 0.00 N ATOM 521 CA MET A 109 -0.507 -4.575 4.714 1.00 0.00 C ATOM 522 C MET A 109 -0.304 -5.788 5.633 1.00 0.00 C ATOM 523 O MET A 109 -0.023 -6.876 5.172 1.00 0.00 O ATOM 524 CB MET A 109 0.841 -4.175 4.130 1.00 0.00 C ATOM 525 CG MET A 109 0.961 -4.750 2.717 1.00 0.00 C ATOM 526 SD MET A 109 2.648 -4.549 2.059 1.00 0.00 S ATOM 527 CE MET A 109 3.545 -4.232 3.599 1.00 0.00 C ATOM 0 H MET A 109 -0.486 -2.594 5.502 1.00 0.00 H new ATOM 0 HA MET A 109 -1.204 -4.839 3.919 1.00 0.00 H new ATOM 0 HB2 MET A 109 0.933 -3.089 4.104 1.00 0.00 H new ATOM 0 HB3 MET A 109 1.650 -4.548 4.759 1.00 0.00 H new ATOM 0 HG2 MET A 109 0.697 -5.808 2.729 1.00 0.00 H new ATOM 0 HG3 MET A 109 0.250 -4.252 2.058 1.00 0.00 H new ATOM 0 HE1 MET A 109 4.593 -4.032 3.375 1.00 0.00 H new ATOM 0 HE2 MET A 109 3.110 -3.369 4.102 1.00 0.00 H new ATOM 0 HE3 MET A 109 3.473 -5.105 4.248 1.00 0.00 H new ATOM 537 N THR A 110 -0.427 -5.621 6.923 1.00 0.00 N ATOM 538 CA THR A 110 -0.225 -6.784 7.839 1.00 0.00 C ATOM 539 C THR A 110 -1.560 -7.504 8.062 1.00 0.00 C ATOM 540 O THR A 110 -1.612 -8.576 8.630 1.00 0.00 O ATOM 541 CB THR A 110 0.332 -6.298 9.179 1.00 0.00 C ATOM 542 OG1 THR A 110 0.571 -7.415 10.025 1.00 0.00 O ATOM 543 CG2 THR A 110 -0.674 -5.363 9.837 1.00 0.00 C ATOM 0 H THR A 110 -0.656 -4.738 7.380 1.00 0.00 H new ATOM 0 HA THR A 110 0.485 -7.477 7.388 1.00 0.00 H new ATOM 0 HB THR A 110 1.267 -5.763 9.013 1.00 0.00 H new ATOM 0 HG1 THR A 110 -0.083 -8.118 9.831 1.00 0.00 H new ATOM 0 HG21 THR A 110 -0.278 -5.016 10.792 1.00 0.00 H new ATOM 0 HG22 THR A 110 -0.855 -4.507 9.187 1.00 0.00 H new ATOM 0 HG23 THR A 110 -1.610 -5.895 10.004 1.00 0.00 H new ATOM 551 N ASN A 111 -2.635 -6.927 7.601 1.00 0.00 N ATOM 552 CA ASN A 111 -3.969 -7.573 7.761 1.00 0.00 C ATOM 553 C ASN A 111 -4.503 -7.963 6.381 1.00 0.00 C ATOM 554 O ASN A 111 -4.947 -9.076 6.174 1.00 0.00 O ATOM 555 CB ASN A 111 -4.972 -6.616 8.428 1.00 0.00 C ATOM 556 CG ASN A 111 -4.284 -5.314 8.846 1.00 0.00 C ATOM 557 OD1 ASN A 111 -3.184 -5.333 9.355 1.00 0.00 O ATOM 558 ND2 ASN A 111 -4.897 -4.176 8.655 1.00 0.00 N ATOM 0 H ASN A 111 -2.647 -6.029 7.117 1.00 0.00 H new ATOM 0 HA ASN A 111 -3.852 -8.453 8.394 1.00 0.00 H new ATOM 0 HB2 ASN A 111 -5.787 -6.397 7.738 1.00 0.00 H new ATOM 0 HB3 ASN A 111 -5.414 -7.096 9.301 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -4.450 -3.303 8.934 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -5.823 -4.161 8.227 1.00 0.00 H new ATOM 565 N LEU A 112 -4.474 -7.060 5.429 1.00 0.00 N ATOM 566 CA LEU A 112 -4.994 -7.410 4.074 1.00 0.00 C ATOM 567 C LEU A 112 -4.400 -8.752 3.623 1.00 0.00 C ATOM 568 O LEU A 112 -3.584 -9.338 4.306 1.00 0.00 O ATOM 569 CB LEU A 112 -4.675 -6.303 3.042 1.00 0.00 C ATOM 570 CG LEU A 112 -3.212 -5.813 3.115 1.00 0.00 C ATOM 571 CD1 LEU A 112 -2.280 -6.921 3.612 1.00 0.00 C ATOM 572 CD2 LEU A 112 -2.767 -5.392 1.712 1.00 0.00 C ATOM 0 H LEU A 112 -4.118 -6.110 5.531 1.00 0.00 H new ATOM 0 HA LEU A 112 -6.079 -7.498 4.136 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -4.876 -6.680 2.039 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -5.344 -5.458 3.205 1.00 0.00 H new ATOM 0 HG LEU A 112 -3.160 -4.977 3.812 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -1.258 -6.545 3.652 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -2.590 -7.238 4.608 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -2.328 -7.770 2.930 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -1.735 -5.043 1.747 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -2.839 -6.244 1.036 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -3.410 -4.588 1.352 1.00 0.00 H new ATOM 584 N GLY A 113 -4.814 -9.243 2.483 1.00 0.00 N ATOM 585 CA GLY A 113 -4.288 -10.550 1.985 1.00 0.00 C ATOM 586 C GLY A 113 -2.789 -10.654 2.270 1.00 0.00 C ATOM 587 O GLY A 113 -2.316 -11.640 2.800 1.00 0.00 O ATOM 0 H GLY A 113 -5.497 -8.793 1.873 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -4.816 -11.372 2.468 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -4.470 -10.640 0.914 1.00 0.00 H new ATOM 591 N GLU A 114 -2.041 -9.647 1.922 1.00 0.00 N ATOM 592 CA GLU A 114 -0.573 -9.680 2.169 1.00 0.00 C ATOM 593 C GLU A 114 -0.287 -10.270 3.553 1.00 0.00 C ATOM 594 O GLU A 114 0.168 -11.389 3.680 1.00 0.00 O ATOM 595 CB GLU A 114 -0.018 -8.257 2.107 1.00 0.00 C ATOM 596 CG GLU A 114 1.029 -8.165 0.995 1.00 0.00 C ATOM 597 CD GLU A 114 2.214 -9.071 1.334 1.00 0.00 C ATOM 598 OE1 GLU A 114 2.112 -10.263 1.092 1.00 0.00 O ATOM 599 OE2 GLU A 114 3.203 -8.558 1.830 1.00 0.00 O ATOM 0 H GLU A 114 -2.384 -8.797 1.474 1.00 0.00 H new ATOM 0 HA GLU A 114 -0.097 -10.299 1.408 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -0.825 -7.548 1.921 1.00 0.00 H new ATOM 0 HB3 GLU A 114 0.428 -7.987 3.064 1.00 0.00 H new ATOM 0 HG2 GLU A 114 0.591 -8.463 0.043 1.00 0.00 H new ATOM 0 HG3 GLU A 114 1.366 -7.135 0.882 1.00 0.00 H new ATOM 606 N LYS A 115 -0.545 -9.519 4.590 1.00 0.00 N ATOM 607 CA LYS A 115 -0.282 -10.026 5.968 1.00 0.00 C ATOM 608 C LYS A 115 1.152 -10.557 6.053 1.00 0.00 C ATOM 609 O LYS A 115 1.400 -11.728 5.838 1.00 0.00 O ATOM 610 CB LYS A 115 -1.265 -11.153 6.293 1.00 0.00 C ATOM 611 CG LYS A 115 -1.033 -11.638 7.727 1.00 0.00 C ATOM 612 CD LYS A 115 -2.119 -12.647 8.104 1.00 0.00 C ATOM 613 CE LYS A 115 -1.490 -14.027 8.309 1.00 0.00 C ATOM 614 NZ LYS A 115 -0.612 -14.002 9.513 1.00 0.00 N ATOM 0 H LYS A 115 -0.927 -8.575 4.542 1.00 0.00 H new ATOM 0 HA LYS A 115 -0.411 -9.214 6.684 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -2.290 -10.800 6.179 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -1.133 -11.978 5.593 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -0.048 -12.098 7.812 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -1.051 -10.793 8.416 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -2.625 -12.328 9.015 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -2.874 -12.694 7.319 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -2.270 -14.779 8.431 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -0.911 -14.308 7.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -0.555 -14.957 9.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 0.340 -13.684 9.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -1.008 -13.348 10.218 1.00 0.00 H new ATOM 628 N LEU A 116 2.098 -9.711 6.370 1.00 0.00 N ATOM 629 CA LEU A 116 3.508 -10.175 6.472 1.00 0.00 C ATOM 630 C LEU A 116 4.057 -9.780 7.851 1.00 0.00 C ATOM 631 O LEU A 116 3.533 -10.186 8.869 1.00 0.00 O ATOM 632 CB LEU A 116 4.337 -9.524 5.360 1.00 0.00 C ATOM 633 CG LEU A 116 4.113 -8.007 5.373 1.00 0.00 C ATOM 634 CD1 LEU A 116 5.300 -7.309 4.708 1.00 0.00 C ATOM 635 CD2 LEU A 116 2.831 -7.673 4.608 1.00 0.00 C ATOM 0 H LEU A 116 1.952 -8.720 6.562 1.00 0.00 H new ATOM 0 HA LEU A 116 3.562 -11.258 6.359 1.00 0.00 H new ATOM 0 HB2 LEU A 116 5.394 -9.747 5.503 1.00 0.00 H new ATOM 0 HB3 LEU A 116 4.052 -9.936 4.392 1.00 0.00 H new ATOM 0 HG LEU A 116 4.021 -7.664 6.403 1.00 0.00 H new ATOM 0 HD11 LEU A 116 5.140 -6.231 4.718 1.00 0.00 H new ATOM 0 HD12 LEU A 116 6.213 -7.545 5.254 1.00 0.00 H new ATOM 0 HD13 LEU A 116 5.394 -7.653 3.678 1.00 0.00 H new ATOM 0 HD21 LEU A 116 2.672 -6.595 4.617 1.00 0.00 H new ATOM 0 HD22 LEU A 116 2.922 -8.017 3.578 1.00 0.00 H new ATOM 0 HD23 LEU A 116 1.984 -8.169 5.083 1.00 0.00 H new ATOM 647 N THR A 117 5.100 -8.991 7.900 1.00 0.00 N ATOM 648 CA THR A 117 5.664 -8.575 9.218 1.00 0.00 C ATOM 649 C THR A 117 5.762 -7.048 9.255 1.00 0.00 C ATOM 650 O THR A 117 5.656 -6.397 8.240 1.00 0.00 O ATOM 651 CB THR A 117 7.057 -9.183 9.385 1.00 0.00 C ATOM 652 OG1 THR A 117 7.170 -10.332 8.558 1.00 0.00 O ATOM 653 CG2 THR A 117 7.277 -9.583 10.846 1.00 0.00 C ATOM 0 H THR A 117 5.585 -8.617 7.084 1.00 0.00 H new ATOM 0 HA THR A 117 5.020 -8.922 10.026 1.00 0.00 H new ATOM 0 HB THR A 117 7.809 -8.448 9.098 1.00 0.00 H new ATOM 0 HG1 THR A 117 8.063 -10.723 8.662 1.00 0.00 H new ATOM 0 HG21 THR A 117 8.271 -10.016 10.959 1.00 0.00 H new ATOM 0 HG22 THR A 117 7.190 -8.702 11.482 1.00 0.00 H new ATOM 0 HG23 THR A 117 6.526 -10.317 11.139 1.00 0.00 H new ATOM 661 N ASP A 118 5.959 -6.471 10.412 1.00 0.00 N ATOM 662 CA ASP A 118 6.054 -4.981 10.498 1.00 0.00 C ATOM 663 C ASP A 118 7.438 -4.517 10.038 1.00 0.00 C ATOM 664 O ASP A 118 7.569 -3.509 9.375 1.00 0.00 O ATOM 665 CB ASP A 118 5.816 -4.539 11.944 1.00 0.00 C ATOM 666 CG ASP A 118 4.357 -4.802 12.328 1.00 0.00 C ATOM 667 OD1 ASP A 118 3.507 -4.689 11.461 1.00 0.00 O ATOM 668 OD2 ASP A 118 4.114 -5.115 13.484 1.00 0.00 O ATOM 0 H ASP A 118 6.058 -6.964 11.299 1.00 0.00 H new ATOM 0 HA ASP A 118 5.298 -4.535 9.851 1.00 0.00 H new ATOM 0 HB2 ASP A 118 6.483 -5.081 12.615 1.00 0.00 H new ATOM 0 HB3 ASP A 118 6.046 -3.479 12.054 1.00 0.00 H new ATOM 673 N GLU A 119 8.473 -5.235 10.374 1.00 0.00 N ATOM 674 CA GLU A 119 9.829 -4.808 9.932 1.00 0.00 C ATOM 675 C GLU A 119 9.975 -5.119 8.443 1.00 0.00 C ATOM 676 O GLU A 119 10.707 -4.468 7.728 1.00 0.00 O ATOM 677 CB GLU A 119 10.897 -5.562 10.726 1.00 0.00 C ATOM 678 CG GLU A 119 11.044 -4.934 12.112 1.00 0.00 C ATOM 679 CD GLU A 119 12.112 -3.842 12.063 1.00 0.00 C ATOM 680 OE1 GLU A 119 11.826 -2.785 11.525 1.00 0.00 O ATOM 681 OE2 GLU A 119 13.199 -4.082 12.561 1.00 0.00 O ATOM 0 H GLU A 119 8.440 -6.090 10.929 1.00 0.00 H new ATOM 0 HA GLU A 119 9.956 -3.739 10.104 1.00 0.00 H new ATOM 0 HB2 GLU A 119 10.622 -6.613 10.819 1.00 0.00 H new ATOM 0 HB3 GLU A 119 11.850 -5.528 10.197 1.00 0.00 H new ATOM 0 HG2 GLU A 119 10.092 -4.513 12.436 1.00 0.00 H new ATOM 0 HG3 GLU A 119 11.320 -5.696 12.841 1.00 0.00 H new ATOM 688 N GLU A 120 9.262 -6.105 7.974 1.00 0.00 N ATOM 689 CA GLU A 120 9.328 -6.464 6.531 1.00 0.00 C ATOM 690 C GLU A 120 8.588 -5.391 5.734 1.00 0.00 C ATOM 691 O GLU A 120 9.125 -4.788 4.825 1.00 0.00 O ATOM 692 CB GLU A 120 8.656 -7.824 6.324 1.00 0.00 C ATOM 693 CG GLU A 120 8.535 -8.129 4.831 1.00 0.00 C ATOM 694 CD GLU A 120 9.748 -8.943 4.378 1.00 0.00 C ATOM 695 OE1 GLU A 120 9.936 -10.030 4.900 1.00 0.00 O ATOM 696 OE2 GLU A 120 10.470 -8.466 3.519 1.00 0.00 O ATOM 0 H GLU A 120 8.632 -6.681 8.533 1.00 0.00 H new ATOM 0 HA GLU A 120 10.364 -6.523 6.196 1.00 0.00 H new ATOM 0 HB2 GLU A 120 9.237 -8.604 6.816 1.00 0.00 H new ATOM 0 HB3 GLU A 120 7.668 -7.824 6.784 1.00 0.00 H new ATOM 0 HG2 GLU A 120 7.617 -8.684 4.635 1.00 0.00 H new ATOM 0 HG3 GLU A 120 8.474 -7.201 4.263 1.00 0.00 H new ATOM 703 N VAL A 121 7.357 -5.144 6.085 1.00 0.00 N ATOM 704 CA VAL A 121 6.567 -4.099 5.374 1.00 0.00 C ATOM 705 C VAL A 121 7.343 -2.781 5.409 1.00 0.00 C ATOM 706 O VAL A 121 7.501 -2.111 4.408 1.00 0.00 O ATOM 707 CB VAL A 121 5.207 -3.912 6.071 1.00 0.00 C ATOM 708 CG1 VAL A 121 5.384 -3.926 7.591 1.00 0.00 C ATOM 709 CG2 VAL A 121 4.594 -2.573 5.656 1.00 0.00 C ATOM 0 H VAL A 121 6.861 -5.623 6.837 1.00 0.00 H new ATOM 0 HA VAL A 121 6.400 -4.405 4.341 1.00 0.00 H new ATOM 0 HB VAL A 121 4.550 -4.730 5.775 1.00 0.00 H new ATOM 0 HG11 VAL A 121 4.415 -3.793 8.071 1.00 0.00 H new ATOM 0 HG12 VAL A 121 5.813 -4.879 7.899 1.00 0.00 H new ATOM 0 HG13 VAL A 121 6.050 -3.116 7.887 1.00 0.00 H new ATOM 0 HG21 VAL A 121 3.632 -2.444 6.151 1.00 0.00 H new ATOM 0 HG22 VAL A 121 5.262 -1.762 5.945 1.00 0.00 H new ATOM 0 HG23 VAL A 121 4.451 -2.558 4.576 1.00 0.00 H new ATOM 719 N ASP A 122 7.815 -2.400 6.562 1.00 0.00 N ATOM 720 CA ASP A 122 8.569 -1.117 6.674 1.00 0.00 C ATOM 721 C ASP A 122 9.832 -1.169 5.807 1.00 0.00 C ATOM 722 O ASP A 122 10.199 -0.195 5.177 1.00 0.00 O ATOM 723 CB ASP A 122 8.953 -0.883 8.137 1.00 0.00 C ATOM 724 CG ASP A 122 7.905 0.014 8.802 1.00 0.00 C ATOM 725 OD1 ASP A 122 7.062 0.535 8.089 1.00 0.00 O ATOM 726 OD2 ASP A 122 7.962 0.164 10.011 1.00 0.00 O ATOM 0 H ASP A 122 7.712 -2.920 7.433 1.00 0.00 H new ATOM 0 HA ASP A 122 7.939 -0.298 6.326 1.00 0.00 H new ATOM 0 HB2 ASP A 122 9.019 -1.835 8.664 1.00 0.00 H new ATOM 0 HB3 ASP A 122 9.937 -0.417 8.196 1.00 0.00 H new ATOM 731 N GLU A 123 10.500 -2.289 5.761 1.00 0.00 N ATOM 732 CA GLU A 123 11.733 -2.384 4.927 1.00 0.00 C ATOM 733 C GLU A 123 11.349 -2.653 3.471 1.00 0.00 C ATOM 734 O GLU A 123 12.184 -2.645 2.587 1.00 0.00 O ATOM 735 CB GLU A 123 12.613 -3.527 5.435 1.00 0.00 C ATOM 736 CG GLU A 123 13.997 -2.982 5.789 1.00 0.00 C ATOM 737 CD GLU A 123 14.507 -3.667 7.059 1.00 0.00 C ATOM 738 OE1 GLU A 123 13.946 -3.411 8.112 1.00 0.00 O ATOM 739 OE2 GLU A 123 15.450 -4.432 6.957 1.00 0.00 O ATOM 0 H GLU A 123 10.247 -3.140 6.263 1.00 0.00 H new ATOM 0 HA GLU A 123 12.282 -1.445 4.993 1.00 0.00 H new ATOM 0 HB2 GLU A 123 12.157 -3.990 6.310 1.00 0.00 H new ATOM 0 HB3 GLU A 123 12.699 -4.301 4.673 1.00 0.00 H new ATOM 0 HG2 GLU A 123 14.690 -3.157 4.966 1.00 0.00 H new ATOM 0 HG3 GLU A 123 13.947 -1.904 5.940 1.00 0.00 H new ATOM 746 N MET A 124 10.093 -2.897 3.211 1.00 0.00 N ATOM 747 CA MET A 124 9.662 -3.172 1.815 1.00 0.00 C ATOM 748 C MET A 124 9.102 -1.894 1.183 1.00 0.00 C ATOM 749 O MET A 124 9.002 -1.783 -0.022 1.00 0.00 O ATOM 750 CB MET A 124 8.578 -4.249 1.822 1.00 0.00 C ATOM 751 CG MET A 124 8.821 -5.218 0.666 1.00 0.00 C ATOM 752 SD MET A 124 9.517 -6.762 1.305 1.00 0.00 S ATOM 753 CE MET A 124 11.249 -6.237 1.323 1.00 0.00 C ATOM 0 H MET A 124 9.348 -2.917 3.907 1.00 0.00 H new ATOM 0 HA MET A 124 10.519 -3.515 1.235 1.00 0.00 H new ATOM 0 HB2 MET A 124 8.589 -4.786 2.770 1.00 0.00 H new ATOM 0 HB3 MET A 124 7.594 -3.791 1.727 1.00 0.00 H new ATOM 0 HG2 MET A 124 7.886 -5.418 0.143 1.00 0.00 H new ATOM 0 HG3 MET A 124 9.503 -4.772 -0.058 1.00 0.00 H new ATOM 0 HE1 MET A 124 11.886 -7.091 1.554 1.00 0.00 H new ATOM 0 HE2 MET A 124 11.518 -5.837 0.345 1.00 0.00 H new ATOM 0 HE3 MET A 124 11.388 -5.466 2.081 1.00 0.00 H new ATOM 763 N ILE A 125 8.731 -0.930 1.981 1.00 0.00 N ATOM 764 CA ILE A 125 8.173 0.327 1.407 1.00 0.00 C ATOM 765 C ILE A 125 9.276 1.077 0.654 1.00 0.00 C ATOM 766 O ILE A 125 9.006 1.874 -0.221 1.00 0.00 O ATOM 767 CB ILE A 125 7.580 1.185 2.543 1.00 0.00 C ATOM 768 CG1 ILE A 125 6.058 1.155 2.427 1.00 0.00 C ATOM 769 CG2 ILE A 125 8.058 2.642 2.459 1.00 0.00 C ATOM 770 CD1 ILE A 125 5.465 0.496 3.672 1.00 0.00 C ATOM 0 H ILE A 125 8.790 -0.958 2.999 1.00 0.00 H new ATOM 0 HA ILE A 125 7.376 0.100 0.699 1.00 0.00 H new ATOM 0 HB ILE A 125 7.911 0.775 3.497 1.00 0.00 H new ATOM 0 HG12 ILE A 125 5.671 2.168 2.319 1.00 0.00 H new ATOM 0 HG13 ILE A 125 5.761 0.604 1.535 1.00 0.00 H new ATOM 0 HG21 ILE A 125 7.620 3.216 3.275 1.00 0.00 H new ATOM 0 HG22 ILE A 125 9.145 2.673 2.536 1.00 0.00 H new ATOM 0 HG23 ILE A 125 7.749 3.072 1.506 1.00 0.00 H new ATOM 0 HD11 ILE A 125 4.378 0.474 3.590 1.00 0.00 H new ATOM 0 HD12 ILE A 125 5.843 -0.523 3.759 1.00 0.00 H new ATOM 0 HD13 ILE A 125 5.751 1.066 4.556 1.00 0.00 H new ATOM 782 N ARG A 126 10.513 0.821 0.969 1.00 0.00 N ATOM 783 CA ARG A 126 11.608 1.515 0.246 1.00 0.00 C ATOM 784 C ARG A 126 11.449 1.247 -1.252 1.00 0.00 C ATOM 785 O ARG A 126 12.015 1.927 -2.085 1.00 0.00 O ATOM 786 CB ARG A 126 12.958 0.976 0.720 1.00 0.00 C ATOM 787 CG ARG A 126 12.962 0.881 2.246 1.00 0.00 C ATOM 788 CD ARG A 126 14.403 0.775 2.747 1.00 0.00 C ATOM 789 NE ARG A 126 14.447 1.113 4.196 1.00 0.00 N ATOM 790 CZ ARG A 126 15.558 0.972 4.865 1.00 0.00 C ATOM 791 NH1 ARG A 126 16.698 1.287 4.312 1.00 0.00 N ATOM 792 NH2 ARG A 126 15.530 0.515 6.088 1.00 0.00 N ATOM 0 H ARG A 126 10.811 0.165 1.691 1.00 0.00 H new ATOM 0 HA ARG A 126 11.563 2.586 0.442 1.00 0.00 H new ATOM 0 HB2 ARG A 126 13.143 -0.005 0.283 1.00 0.00 H new ATOM 0 HB3 ARG A 126 13.762 1.631 0.384 1.00 0.00 H new ATOM 0 HG2 ARG A 126 12.480 1.758 2.677 1.00 0.00 H new ATOM 0 HG3 ARG A 126 12.389 0.012 2.568 1.00 0.00 H new ATOM 0 HD2 ARG A 126 14.783 -0.234 2.586 1.00 0.00 H new ATOM 0 HD3 ARG A 126 15.046 1.452 2.184 1.00 0.00 H new ATOM 0 HE ARG A 126 13.609 1.455 4.666 1.00 0.00 H new ATOM 0 HH11 ARG A 126 16.720 1.643 3.357 1.00 0.00 H new ATOM 0 HH12 ARG A 126 17.566 1.177 4.835 1.00 0.00 H new ATOM 0 HH21 ARG A 126 14.640 0.268 6.520 1.00 0.00 H new ATOM 0 HH22 ARG A 126 16.399 0.405 6.611 1.00 0.00 H new ATOM 806 N GLU A 127 10.685 0.243 -1.595 1.00 0.00 N ATOM 807 CA GLU A 127 10.483 -0.101 -3.028 1.00 0.00 C ATOM 808 C GLU A 127 9.326 0.710 -3.622 1.00 0.00 C ATOM 809 O GLU A 127 9.371 1.113 -4.768 1.00 0.00 O ATOM 810 CB GLU A 127 10.151 -1.590 -3.133 1.00 0.00 C ATOM 811 CG GLU A 127 11.443 -2.406 -3.084 1.00 0.00 C ATOM 812 CD GLU A 127 11.186 -3.806 -3.646 1.00 0.00 C ATOM 813 OE1 GLU A 127 10.474 -4.559 -3.002 1.00 0.00 O ATOM 814 OE2 GLU A 127 11.705 -4.100 -4.709 1.00 0.00 O ATOM 0 H GLU A 127 10.189 -0.357 -0.936 1.00 0.00 H new ATOM 0 HA GLU A 127 11.394 0.131 -3.580 1.00 0.00 H new ATOM 0 HB2 GLU A 127 9.491 -1.885 -2.317 1.00 0.00 H new ATOM 0 HB3 GLU A 127 9.617 -1.790 -4.062 1.00 0.00 H new ATOM 0 HG2 GLU A 127 12.222 -1.908 -3.662 1.00 0.00 H new ATOM 0 HG3 GLU A 127 11.803 -2.475 -2.057 1.00 0.00 H new ATOM 821 N ALA A 128 8.280 0.940 -2.872 1.00 0.00 N ATOM 822 CA ALA A 128 7.128 1.705 -3.434 1.00 0.00 C ATOM 823 C ALA A 128 7.230 3.183 -3.055 1.00 0.00 C ATOM 824 O ALA A 128 7.199 4.053 -3.901 1.00 0.00 O ATOM 825 CB ALA A 128 5.822 1.134 -2.881 1.00 0.00 C ATOM 0 H ALA A 128 8.174 0.635 -1.905 1.00 0.00 H new ATOM 0 HA ALA A 128 7.145 1.616 -4.520 1.00 0.00 H new ATOM 0 HB1 ALA A 128 4.979 1.691 -3.290 1.00 0.00 H new ATOM 0 HB2 ALA A 128 5.735 0.085 -3.164 1.00 0.00 H new ATOM 0 HB3 ALA A 128 5.819 1.218 -1.794 1.00 0.00 H new ATOM 831 N ASP A 129 7.331 3.474 -1.790 1.00 0.00 N ATOM 832 CA ASP A 129 7.409 4.897 -1.358 1.00 0.00 C ATOM 833 C ASP A 129 8.731 5.512 -1.823 1.00 0.00 C ATOM 834 O ASP A 129 8.753 6.579 -2.403 1.00 0.00 O ATOM 835 CB ASP A 129 7.310 4.975 0.168 1.00 0.00 C ATOM 836 CG ASP A 129 6.144 4.110 0.655 1.00 0.00 C ATOM 837 OD1 ASP A 129 5.595 3.378 -0.152 1.00 0.00 O ATOM 838 OD2 ASP A 129 5.819 4.197 1.827 1.00 0.00 O ATOM 0 H ASP A 129 7.363 2.788 -1.035 1.00 0.00 H new ATOM 0 HA ASP A 129 6.584 5.453 -1.803 1.00 0.00 H new ATOM 0 HB2 ASP A 129 8.241 4.635 0.620 1.00 0.00 H new ATOM 0 HB3 ASP A 129 7.163 6.009 0.480 1.00 0.00 H new ATOM 893 N GLY A 134 4.570 11.548 -2.285 1.00 0.00 N ATOM 894 CA GLY A 134 3.855 10.819 -1.199 1.00 0.00 C ATOM 895 C GLY A 134 4.513 9.452 -1.002 1.00 0.00 C ATOM 896 O GLY A 134 4.838 8.770 -1.953 1.00 0.00 O ATOM 0 HA2 GLY A 134 3.892 11.392 -0.273 1.00 0.00 H new ATOM 0 HA3 GLY A 134 2.803 10.697 -1.456 1.00 0.00 H new ATOM 900 N GLN A 135 4.723 9.049 0.222 1.00 0.00 N ATOM 901 CA GLN A 135 5.370 7.729 0.470 1.00 0.00 C ATOM 902 C GLN A 135 4.629 6.633 -0.309 1.00 0.00 C ATOM 903 O GLN A 135 4.800 6.490 -1.503 1.00 0.00 O ATOM 904 CB GLN A 135 5.337 7.422 1.969 1.00 0.00 C ATOM 905 CG GLN A 135 6.227 8.418 2.715 1.00 0.00 C ATOM 906 CD GLN A 135 7.666 7.900 2.738 1.00 0.00 C ATOM 907 OE1 GLN A 135 7.927 6.778 2.350 1.00 0.00 O ATOM 908 NE2 GLN A 135 8.619 8.674 3.181 1.00 0.00 N ATOM 0 H GLN A 135 4.475 9.576 1.059 1.00 0.00 H new ATOM 0 HA GLN A 135 6.406 7.761 0.132 1.00 0.00 H new ATOM 0 HB2 GLN A 135 4.314 7.483 2.341 1.00 0.00 H new ATOM 0 HB3 GLN A 135 5.682 6.404 2.150 1.00 0.00 H new ATOM 0 HG2 GLN A 135 6.188 9.392 2.228 1.00 0.00 H new ATOM 0 HG3 GLN A 135 5.863 8.556 3.733 1.00 0.00 H new ATOM 0 HE21 GLN A 135 8.401 9.616 3.507 1.00 0.00 H new ATOM 0 HE22 GLN A 135 9.582 8.337 3.201 1.00 0.00 H new ATOM 917 N VAL A 136 3.808 5.858 0.348 1.00 0.00 N ATOM 918 CA VAL A 136 3.069 4.780 -0.368 1.00 0.00 C ATOM 919 C VAL A 136 1.694 5.303 -0.776 1.00 0.00 C ATOM 920 O VAL A 136 0.842 5.519 0.057 1.00 0.00 O ATOM 921 CB VAL A 136 2.893 3.596 0.569 1.00 0.00 C ATOM 922 CG1 VAL A 136 2.017 4.013 1.754 1.00 0.00 C ATOM 923 CG2 VAL A 136 2.233 2.452 -0.202 1.00 0.00 C ATOM 0 H VAL A 136 3.618 5.925 1.348 1.00 0.00 H new ATOM 0 HA VAL A 136 3.625 4.473 -1.254 1.00 0.00 H new ATOM 0 HB VAL A 136 3.861 3.266 0.947 1.00 0.00 H new ATOM 0 HG11 VAL A 136 1.889 3.166 2.428 1.00 0.00 H new ATOM 0 HG12 VAL A 136 2.495 4.833 2.289 1.00 0.00 H new ATOM 0 HG13 VAL A 136 1.042 4.337 1.390 1.00 0.00 H new ATOM 0 HG21 VAL A 136 2.101 1.596 0.460 1.00 0.00 H new ATOM 0 HG22 VAL A 136 1.261 2.777 -0.573 1.00 0.00 H new ATOM 0 HG23 VAL A 136 2.866 2.167 -1.042 1.00 0.00 H new ATOM 933 N ASN A 137 1.472 5.535 -2.042 1.00 0.00 N ATOM 934 CA ASN A 137 0.153 6.088 -2.455 1.00 0.00 C ATOM 935 C ASN A 137 -0.701 5.077 -3.217 1.00 0.00 C ATOM 936 O ASN A 137 -1.073 5.315 -4.344 1.00 0.00 O ATOM 937 CB ASN A 137 0.381 7.312 -3.331 1.00 0.00 C ATOM 938 CG ASN A 137 1.592 7.073 -4.240 1.00 0.00 C ATOM 939 OD1 ASN A 137 1.711 5.932 -4.868 1.00 0.00 O flip ATOM 940 ND2 ASN A 137 2.437 7.934 -4.382 1.00 0.00 N flip ATOM 0 H ASN A 137 2.137 5.368 -2.797 1.00 0.00 H new ATOM 0 HA ASN A 137 -0.390 6.350 -1.547 1.00 0.00 H new ATOM 0 HB2 ASN A 137 -0.505 7.511 -3.933 1.00 0.00 H new ATOM 0 HB3 ASN A 137 0.548 8.191 -2.709 1.00 0.00 H new ATOM 0 HD21 ASN A 137 2.345 8.824 -3.893 1.00 0.00 H new ATOM 0 HD22 ASN A 137 3.238 7.767 -4.991 1.00 0.00 H new ATOM 947 N TYR A 138 -1.067 3.990 -2.596 1.00 0.00 N ATOM 948 CA TYR A 138 -1.961 3.003 -3.275 1.00 0.00 C ATOM 949 C TYR A 138 -1.336 2.480 -4.561 1.00 0.00 C ATOM 950 O TYR A 138 -0.750 1.419 -4.597 1.00 0.00 O ATOM 951 CB TYR A 138 -3.267 3.705 -3.631 1.00 0.00 C ATOM 952 CG TYR A 138 -4.145 3.788 -2.404 1.00 0.00 C ATOM 953 CD1 TYR A 138 -3.575 4.048 -1.147 1.00 0.00 C ATOM 954 CD2 TYR A 138 -5.526 3.602 -2.517 1.00 0.00 C ATOM 955 CE1 TYR A 138 -4.386 4.119 -0.014 1.00 0.00 C ATOM 956 CE2 TYR A 138 -6.333 3.677 -1.378 1.00 0.00 C ATOM 957 CZ TYR A 138 -5.762 3.934 -0.131 1.00 0.00 C ATOM 958 OH TYR A 138 -6.559 3.995 0.985 1.00 0.00 O ATOM 0 H TYR A 138 -0.787 3.740 -1.648 1.00 0.00 H new ATOM 0 HA TYR A 138 -2.125 2.163 -2.600 1.00 0.00 H new ATOM 0 HB2 TYR A 138 -3.062 4.705 -4.013 1.00 0.00 H new ATOM 0 HB3 TYR A 138 -3.781 3.160 -4.423 1.00 0.00 H new ATOM 0 HD1 TYR A 138 -2.509 4.193 -1.057 1.00 0.00 H new ATOM 0 HD2 TYR A 138 -5.968 3.401 -3.482 1.00 0.00 H new ATOM 0 HE1 TYR A 138 -3.948 4.317 0.953 1.00 0.00 H new ATOM 0 HE2 TYR A 138 -7.400 3.536 -1.463 1.00 0.00 H new ATOM 0 HH TYR A 138 -6.028 4.299 1.750 1.00 0.00 H new ATOM 968 N GLU A 139 -1.491 3.212 -5.626 1.00 0.00 N ATOM 969 CA GLU A 139 -0.931 2.776 -6.926 1.00 0.00 C ATOM 970 C GLU A 139 0.469 2.200 -6.684 1.00 0.00 C ATOM 971 O GLU A 139 0.918 1.310 -7.377 1.00 0.00 O ATOM 972 CB GLU A 139 -0.882 3.988 -7.872 1.00 0.00 C ATOM 973 CG GLU A 139 0.334 3.898 -8.789 1.00 0.00 C ATOM 974 CD GLU A 139 0.171 4.865 -9.963 1.00 0.00 C ATOM 975 OE1 GLU A 139 -0.664 5.750 -9.864 1.00 0.00 O ATOM 976 OE2 GLU A 139 0.883 4.705 -10.941 1.00 0.00 O ATOM 0 H GLU A 139 -1.988 4.103 -5.648 1.00 0.00 H new ATOM 0 HA GLU A 139 -1.550 2.005 -7.385 1.00 0.00 H new ATOM 0 HB2 GLU A 139 -1.793 4.029 -8.469 1.00 0.00 H new ATOM 0 HB3 GLU A 139 -0.840 4.909 -7.291 1.00 0.00 H new ATOM 0 HG2 GLU A 139 1.240 4.138 -8.232 1.00 0.00 H new ATOM 0 HG3 GLU A 139 0.447 2.879 -9.159 1.00 0.00 H new ATOM 983 N GLU A 140 1.146 2.687 -5.680 1.00 0.00 N ATOM 984 CA GLU A 140 2.497 2.154 -5.359 1.00 0.00 C ATOM 985 C GLU A 140 2.318 1.056 -4.313 1.00 0.00 C ATOM 986 O GLU A 140 3.014 0.060 -4.300 1.00 0.00 O ATOM 987 CB GLU A 140 3.374 3.271 -4.790 1.00 0.00 C ATOM 988 CG GLU A 140 4.258 3.842 -5.901 1.00 0.00 C ATOM 989 CD GLU A 140 5.459 2.921 -6.122 1.00 0.00 C ATOM 990 OE1 GLU A 140 5.298 1.721 -5.969 1.00 0.00 O ATOM 991 OE2 GLU A 140 6.521 3.431 -6.441 1.00 0.00 O ATOM 0 H GLU A 140 0.819 3.434 -5.067 1.00 0.00 H new ATOM 0 HA GLU A 140 2.978 1.761 -6.254 1.00 0.00 H new ATOM 0 HB2 GLU A 140 2.750 4.058 -4.367 1.00 0.00 H new ATOM 0 HB3 GLU A 140 3.993 2.885 -3.980 1.00 0.00 H new ATOM 0 HG2 GLU A 140 3.685 3.937 -6.823 1.00 0.00 H new ATOM 0 HG3 GLU A 140 4.598 4.842 -5.632 1.00 0.00 H new ATOM 998 N PHE A 141 1.364 1.242 -3.441 1.00 0.00 N ATOM 999 CA PHE A 141 1.083 0.231 -2.381 1.00 0.00 C ATOM 1000 C PHE A 141 0.675 -1.099 -3.027 1.00 0.00 C ATOM 1001 O PHE A 141 0.612 -2.119 -2.373 1.00 0.00 O ATOM 1002 CB PHE A 141 -0.072 0.746 -1.519 1.00 0.00 C ATOM 1003 CG PHE A 141 -0.371 -0.227 -0.405 1.00 0.00 C ATOM 1004 CD1 PHE A 141 0.614 -1.110 0.049 1.00 0.00 C ATOM 1005 CD2 PHE A 141 -1.645 -0.248 0.168 1.00 0.00 C ATOM 1006 CE1 PHE A 141 0.321 -2.012 1.076 1.00 0.00 C ATOM 1007 CE2 PHE A 141 -1.937 -1.145 1.198 1.00 0.00 C ATOM 1008 CZ PHE A 141 -0.957 -2.029 1.652 1.00 0.00 C ATOM 0 H PHE A 141 0.759 2.063 -3.418 1.00 0.00 H new ATOM 0 HA PHE A 141 1.974 0.073 -1.773 1.00 0.00 H new ATOM 0 HB2 PHE A 141 0.184 1.720 -1.101 1.00 0.00 H new ATOM 0 HB3 PHE A 141 -0.960 0.887 -2.136 1.00 0.00 H new ATOM 0 HD1 PHE A 141 1.599 -1.095 -0.393 1.00 0.00 H new ATOM 0 HD2 PHE A 141 -2.406 0.431 -0.186 1.00 0.00 H new ATOM 0 HE1 PHE A 141 1.080 -2.696 1.426 1.00 0.00 H new ATOM 0 HE2 PHE A 141 -2.921 -1.155 1.643 1.00 0.00 H new ATOM 0 HZ PHE A 141 -1.183 -2.725 2.446 1.00 0.00 H new ATOM 1018 N VAL A 142 0.392 -1.102 -4.304 1.00 0.00 N ATOM 1019 CA VAL A 142 -0.006 -2.373 -4.968 1.00 0.00 C ATOM 1020 C VAL A 142 1.254 -3.155 -5.331 1.00 0.00 C ATOM 1021 O VAL A 142 1.278 -4.368 -5.280 1.00 0.00 O ATOM 1022 CB VAL A 142 -0.818 -2.074 -6.231 1.00 0.00 C ATOM 1023 CG1 VAL A 142 -0.105 -1.010 -7.065 1.00 0.00 C ATOM 1024 CG2 VAL A 142 -0.962 -3.355 -7.056 1.00 0.00 C ATOM 0 H VAL A 142 0.420 -0.283 -4.911 1.00 0.00 H new ATOM 0 HA VAL A 142 -0.624 -2.963 -4.291 1.00 0.00 H new ATOM 0 HB VAL A 142 -1.804 -1.707 -5.947 1.00 0.00 H new ATOM 0 HG11 VAL A 142 -0.687 -0.801 -7.963 1.00 0.00 H new ATOM 0 HG12 VAL A 142 -0.002 -0.097 -6.479 1.00 0.00 H new ATOM 0 HG13 VAL A 142 0.883 -1.372 -7.349 1.00 0.00 H new ATOM 0 HG21 VAL A 142 -1.540 -3.145 -7.956 1.00 0.00 H new ATOM 0 HG22 VAL A 142 0.026 -3.720 -7.336 1.00 0.00 H new ATOM 0 HG23 VAL A 142 -1.475 -4.113 -6.464 1.00 0.00 H new ATOM 1034 N GLN A 143 2.319 -2.477 -5.665 1.00 0.00 N ATOM 1035 CA GLN A 143 3.573 -3.207 -5.982 1.00 0.00 C ATOM 1036 C GLN A 143 3.965 -3.998 -4.735 1.00 0.00 C ATOM 1037 O GLN A 143 4.734 -4.936 -4.788 1.00 0.00 O ATOM 1038 CB GLN A 143 4.679 -2.209 -6.337 1.00 0.00 C ATOM 1039 CG GLN A 143 6.042 -2.899 -6.242 1.00 0.00 C ATOM 1040 CD GLN A 143 6.969 -2.350 -7.326 1.00 0.00 C ATOM 1041 OE1 GLN A 143 6.778 -1.142 -7.781 1.00 0.00 O flip ATOM 1042 NE2 GLN A 143 7.877 -3.028 -7.765 1.00 0.00 N flip ATOM 0 H GLN A 143 2.372 -1.461 -5.731 1.00 0.00 H new ATOM 0 HA GLN A 143 3.430 -3.874 -6.832 1.00 0.00 H new ATOM 0 HB2 GLN A 143 4.525 -1.823 -7.345 1.00 0.00 H new ATOM 0 HB3 GLN A 143 4.644 -1.356 -5.660 1.00 0.00 H new ATOM 0 HG2 GLN A 143 6.478 -2.732 -5.257 1.00 0.00 H new ATOM 0 HG3 GLN A 143 5.925 -3.976 -6.360 1.00 0.00 H new ATOM 0 HE21 GLN A 143 8.026 -3.972 -7.409 1.00 0.00 H new ATOM 0 HE22 GLN A 143 8.490 -2.653 -8.489 1.00 0.00 H new ATOM 1051 N MET A 144 3.419 -3.616 -3.613 1.00 0.00 N ATOM 1052 CA MET A 144 3.714 -4.318 -2.338 1.00 0.00 C ATOM 1053 C MET A 144 2.974 -5.649 -2.332 1.00 0.00 C ATOM 1054 O MET A 144 3.560 -6.710 -2.256 1.00 0.00 O ATOM 1055 CB MET A 144 3.178 -3.477 -1.182 1.00 0.00 C ATOM 1056 CG MET A 144 4.165 -2.374 -0.800 1.00 0.00 C ATOM 1057 SD MET A 144 4.890 -1.622 -2.280 1.00 0.00 S ATOM 1058 CE MET A 144 6.327 -2.714 -2.410 1.00 0.00 C ATOM 0 H MET A 144 2.770 -2.833 -3.528 1.00 0.00 H new ATOM 0 HA MET A 144 4.788 -4.473 -2.237 1.00 0.00 H new ATOM 0 HB2 MET A 144 2.223 -3.033 -1.463 1.00 0.00 H new ATOM 0 HB3 MET A 144 2.991 -4.116 -0.319 1.00 0.00 H new ATOM 0 HG2 MET A 144 3.656 -1.611 -0.211 1.00 0.00 H new ATOM 0 HG3 MET A 144 4.954 -2.787 -0.172 1.00 0.00 H new ATOM 0 HE1 MET A 144 7.209 -2.126 -2.662 1.00 0.00 H new ATOM 0 HE2 MET A 144 6.488 -3.219 -1.458 1.00 0.00 H new ATOM 0 HE3 MET A 144 6.151 -3.456 -3.189 1.00 0.00 H new ATOM 1068 N MET A 145 1.677 -5.583 -2.394 1.00 0.00 N ATOM 1069 CA MET A 145 0.859 -6.828 -2.381 1.00 0.00 C ATOM 1070 C MET A 145 1.264 -7.727 -3.553 1.00 0.00 C ATOM 1071 O MET A 145 0.928 -8.894 -3.591 1.00 0.00 O ATOM 1072 CB MET A 145 -0.643 -6.499 -2.483 1.00 0.00 C ATOM 1073 CG MET A 145 -0.874 -5.170 -3.219 1.00 0.00 C ATOM 1074 SD MET A 145 -1.441 -3.906 -2.045 1.00 0.00 S ATOM 1075 CE MET A 145 -0.242 -4.200 -0.716 1.00 0.00 C ATOM 0 H MET A 145 1.143 -4.716 -2.454 1.00 0.00 H new ATOM 0 HA MET A 145 1.040 -7.346 -1.439 1.00 0.00 H new ATOM 0 HB2 MET A 145 -1.159 -7.303 -3.008 1.00 0.00 H new ATOM 0 HB3 MET A 145 -1.074 -6.443 -1.483 1.00 0.00 H new ATOM 0 HG2 MET A 145 0.049 -4.845 -3.700 1.00 0.00 H new ATOM 0 HG3 MET A 145 -1.614 -5.305 -4.008 1.00 0.00 H new ATOM 0 HE1 MET A 145 -0.706 -3.985 0.247 1.00 0.00 H new ATOM 0 HE2 MET A 145 0.079 -5.241 -0.739 1.00 0.00 H new ATOM 0 HE3 MET A 145 0.622 -3.551 -0.856 1.00 0.00 H new ATOM 1085 N THR A 146 1.982 -7.202 -4.510 1.00 0.00 N ATOM 1086 CA THR A 146 2.399 -8.044 -5.669 1.00 0.00 C ATOM 1087 C THR A 146 3.877 -7.803 -5.979 1.00 0.00 C ATOM 1088 O THR A 146 4.336 -8.037 -7.080 1.00 0.00 O ATOM 1089 CB THR A 146 1.553 -7.688 -6.894 1.00 0.00 C ATOM 1090 OG1 THR A 146 2.104 -8.315 -8.044 1.00 0.00 O ATOM 1091 CG2 THR A 146 1.549 -6.172 -7.090 1.00 0.00 C ATOM 0 H THR A 146 2.296 -6.232 -4.540 1.00 0.00 H new ATOM 0 HA THR A 146 2.251 -9.095 -5.420 1.00 0.00 H new ATOM 0 HB THR A 146 0.530 -8.035 -6.744 1.00 0.00 H new ATOM 0 HG1 THR A 146 3.026 -8.009 -8.173 1.00 0.00 H new ATOM 0 HG21 THR A 146 0.946 -5.920 -7.962 1.00 0.00 H new ATOM 0 HG22 THR A 146 1.128 -5.692 -6.207 1.00 0.00 H new ATOM 0 HG23 THR A 146 2.570 -5.822 -7.241 1.00 0.00 H new