USER MOD reduce.3.24.130724 H: found=0, std=0, add=439, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 441 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 101 SER OG : rot 58:sc= -0.174 USER MOD Set 1.2: A 135 GLN : amide:sc= -3.5! C(o=-3.7!,f=-5.3!) USER MOD Set 2.1: A 109 MET CE :methyl -138:sc= -14.3! (180deg=-13.6!) USER MOD Set 2.2: A 145 MET CE :methyl 175:sc= -9.04! (180deg=-6.77!) USER MOD Single : A 97 ASN : amide:sc= -0.552 X(o=-0.55,f=-0.16) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 HIS :FLIP no HD1:sc= -1.72! C(o=-3.8!,f=-1.7!) USER MOD Single : A 110 THR OG1 : rot 70:sc= -2.96! USER MOD Single : A 111 ASN : amide:sc= -5.36! C(o=-5.4!,f=-14!) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 THR OG1 : rot -110:sc= -4.29! USER MOD Single : A 124 MET CE :methyl 151:sc= -0.391 (180deg=-2.05!) USER MOD Single : A 137 ASN :FLIP amide:sc= -1.02 F(o=-6.7!,f=-1) USER MOD Single : A 138 TYR OH : rot -30:sc= -2.59! USER MOD Single : A 143 GLN : amide:sc= -0.078 X(o=-0.078,f=0) USER MOD Single : A 144 MET CE :methyl -102:sc= -7! (180deg=-10.2!) USER MOD Single : A 146 THR OG1 : rot 180:sc= -0.0423 USER MOD ----------------------------------------------------------------- ATOM 91 N GLU A 82 -6.092 -3.182 -7.393 1.00 0.00 N ATOM 92 CA GLU A 82 -6.288 -2.240 -6.256 1.00 0.00 C ATOM 93 C GLU A 82 -7.775 -2.179 -5.903 1.00 0.00 C ATOM 94 O GLU A 82 -8.184 -1.438 -5.035 1.00 0.00 O ATOM 95 CB GLU A 82 -5.787 -0.836 -6.620 1.00 0.00 C ATOM 96 CG GLU A 82 -4.749 -0.924 -7.742 1.00 0.00 C ATOM 97 CD GLU A 82 -5.428 -0.661 -9.087 1.00 0.00 C ATOM 98 OE1 GLU A 82 -6.048 0.382 -9.222 1.00 0.00 O ATOM 99 OE2 GLU A 82 -5.319 -1.507 -9.959 1.00 0.00 O ATOM 0 HA GLU A 82 -5.716 -2.599 -5.400 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -6.624 -0.213 -6.936 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -5.348 -0.359 -5.744 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -3.955 -0.196 -7.575 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -4.283 -1.909 -7.744 1.00 0.00 H new ATOM 106 N GLU A 83 -8.591 -2.959 -6.558 1.00 0.00 N ATOM 107 CA GLU A 83 -10.042 -2.938 -6.226 1.00 0.00 C ATOM 108 C GLU A 83 -10.201 -3.360 -4.762 1.00 0.00 C ATOM 109 O GLU A 83 -11.082 -2.905 -4.059 1.00 0.00 O ATOM 110 CB GLU A 83 -10.801 -3.887 -7.173 1.00 0.00 C ATOM 111 CG GLU A 83 -11.013 -5.251 -6.517 1.00 0.00 C ATOM 112 CD GLU A 83 -11.878 -6.129 -7.423 1.00 0.00 C ATOM 113 OE1 GLU A 83 -13.090 -6.049 -7.312 1.00 0.00 O ATOM 114 OE2 GLU A 83 -11.313 -6.865 -8.215 1.00 0.00 O ATOM 0 H GLU A 83 -8.319 -3.603 -7.301 1.00 0.00 H new ATOM 0 HA GLU A 83 -10.459 -1.939 -6.356 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -11.765 -3.451 -7.437 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -10.241 -4.007 -8.100 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -10.052 -5.733 -6.338 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -11.494 -5.128 -5.547 1.00 0.00 H new ATOM 121 N GLU A 84 -9.333 -4.220 -4.300 1.00 0.00 N ATOM 122 CA GLU A 84 -9.398 -4.675 -2.885 1.00 0.00 C ATOM 123 C GLU A 84 -8.350 -3.908 -2.071 1.00 0.00 C ATOM 124 O GLU A 84 -8.386 -3.879 -0.857 1.00 0.00 O ATOM 125 CB GLU A 84 -9.114 -6.183 -2.826 1.00 0.00 C ATOM 126 CG GLU A 84 -7.605 -6.440 -2.903 1.00 0.00 C ATOM 127 CD GLU A 84 -7.013 -6.427 -1.492 1.00 0.00 C ATOM 128 OE1 GLU A 84 -7.782 -6.491 -0.547 1.00 0.00 O ATOM 129 OE2 GLU A 84 -5.800 -6.356 -1.380 1.00 0.00 O ATOM 0 H GLU A 84 -8.576 -4.629 -4.849 1.00 0.00 H new ATOM 0 HA GLU A 84 -10.388 -4.484 -2.471 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -9.515 -6.600 -1.902 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -9.619 -6.688 -3.649 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -7.413 -7.401 -3.381 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -7.126 -5.677 -3.517 1.00 0.00 H new ATOM 136 N ILE A 85 -7.415 -3.290 -2.742 1.00 0.00 N ATOM 137 CA ILE A 85 -6.352 -2.522 -2.032 1.00 0.00 C ATOM 138 C ILE A 85 -6.936 -1.230 -1.466 1.00 0.00 C ATOM 139 O ILE A 85 -6.846 -0.960 -0.286 1.00 0.00 O ATOM 140 CB ILE A 85 -5.255 -2.153 -3.021 1.00 0.00 C ATOM 141 CG1 ILE A 85 -4.577 -3.425 -3.542 1.00 0.00 C ATOM 142 CG2 ILE A 85 -4.238 -1.265 -2.313 1.00 0.00 C ATOM 143 CD1 ILE A 85 -3.308 -3.052 -4.311 1.00 0.00 C ATOM 0 H ILE A 85 -7.342 -3.285 -3.759 1.00 0.00 H new ATOM 0 HA ILE A 85 -5.951 -3.135 -1.225 1.00 0.00 H new ATOM 0 HB ILE A 85 -5.681 -1.617 -3.869 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -4.330 -4.084 -2.710 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -5.260 -3.973 -4.191 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -3.445 -0.992 -3.010 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -4.731 -0.362 -1.953 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -3.809 -1.805 -1.469 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -2.827 -3.958 -4.681 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -3.568 -2.410 -5.152 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -2.623 -2.522 -3.648 1.00 0.00 H new ATOM 155 N ARG A 86 -7.512 -0.423 -2.313 1.00 0.00 N ATOM 156 CA ARG A 86 -8.098 0.863 -1.865 1.00 0.00 C ATOM 157 C ARG A 86 -8.758 0.695 -0.507 1.00 0.00 C ATOM 158 O ARG A 86 -8.489 1.432 0.407 1.00 0.00 O ATOM 159 CB ARG A 86 -9.167 1.296 -2.864 1.00 0.00 C ATOM 160 CG ARG A 86 -9.049 2.790 -3.136 1.00 0.00 C ATOM 161 CD ARG A 86 -9.740 3.572 -2.015 1.00 0.00 C ATOM 162 NE ARG A 86 -11.197 3.267 -2.024 1.00 0.00 N ATOM 163 CZ ARG A 86 -11.976 3.840 -2.897 1.00 0.00 C ATOM 164 NH1 ARG A 86 -12.276 5.104 -2.775 1.00 0.00 N ATOM 165 NH2 ARG A 86 -12.454 3.151 -3.897 1.00 0.00 N ATOM 0 H ARG A 86 -7.601 -0.607 -3.312 1.00 0.00 H new ATOM 0 HA ARG A 86 -7.305 1.607 -1.797 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -9.055 0.738 -3.794 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -10.158 1.066 -2.472 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -7.999 3.077 -3.200 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -9.504 3.032 -4.096 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -9.307 3.305 -1.051 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -9.580 4.642 -2.151 1.00 0.00 H new ATOM 0 HE ARG A 86 -11.585 2.610 -1.347 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -11.901 5.644 -1.996 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -12.886 5.552 -3.459 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -12.218 2.164 -3.995 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -13.064 3.600 -4.580 1.00 0.00 H new ATOM 179 N GLU A 87 -9.633 -0.258 -0.373 1.00 0.00 N ATOM 180 CA GLU A 87 -10.327 -0.445 0.932 1.00 0.00 C ATOM 181 C GLU A 87 -9.323 -0.912 1.988 1.00 0.00 C ATOM 182 O GLU A 87 -9.403 -0.535 3.140 1.00 0.00 O ATOM 183 CB GLU A 87 -11.447 -1.477 0.784 1.00 0.00 C ATOM 184 CG GLU A 87 -10.911 -2.715 0.062 1.00 0.00 C ATOM 185 CD GLU A 87 -11.005 -3.927 0.990 1.00 0.00 C ATOM 186 OE1 GLU A 87 -10.533 -3.828 2.111 1.00 0.00 O ATOM 187 OE2 GLU A 87 -11.550 -4.933 0.566 1.00 0.00 O ATOM 0 H GLU A 87 -9.899 -0.915 -1.107 1.00 0.00 H new ATOM 0 HA GLU A 87 -10.761 0.504 1.246 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -11.832 -1.754 1.765 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -12.279 -1.049 0.224 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -11.484 -2.895 -0.848 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -9.876 -2.554 -0.239 1.00 0.00 H new ATOM 194 N ALA A 88 -8.375 -1.718 1.608 1.00 0.00 N ATOM 195 CA ALA A 88 -7.359 -2.182 2.592 1.00 0.00 C ATOM 196 C ALA A 88 -6.234 -1.145 2.639 1.00 0.00 C ATOM 197 O ALA A 88 -5.081 -1.448 2.403 1.00 0.00 O ATOM 198 CB ALA A 88 -6.795 -3.534 2.154 1.00 0.00 C ATOM 0 H ALA A 88 -8.259 -2.076 0.660 1.00 0.00 H new ATOM 0 HA ALA A 88 -7.812 -2.295 3.577 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -6.052 -3.870 2.877 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -7.602 -4.264 2.098 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -6.328 -3.433 1.174 1.00 0.00 H new ATOM 204 N PHE A 89 -6.575 0.082 2.928 1.00 0.00 N ATOM 205 CA PHE A 89 -5.555 1.166 2.979 1.00 0.00 C ATOM 206 C PHE A 89 -6.277 2.511 3.075 1.00 0.00 C ATOM 207 O PHE A 89 -5.728 3.486 3.539 1.00 0.00 O ATOM 208 CB PHE A 89 -4.715 1.149 1.696 1.00 0.00 C ATOM 209 CG PHE A 89 -3.247 1.270 2.039 1.00 0.00 C ATOM 210 CD1 PHE A 89 -2.706 0.499 3.066 1.00 0.00 C ATOM 211 CD2 PHE A 89 -2.424 2.153 1.328 1.00 0.00 C ATOM 212 CE1 PHE A 89 -1.351 0.599 3.380 1.00 0.00 C ATOM 213 CE2 PHE A 89 -1.067 2.255 1.640 1.00 0.00 C ATOM 214 CZ PHE A 89 -0.527 1.474 2.667 1.00 0.00 C ATOM 0 H PHE A 89 -7.528 0.382 3.133 1.00 0.00 H new ATOM 0 HA PHE A 89 -4.905 1.016 3.841 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -4.894 0.225 1.146 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -5.014 1.970 1.045 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -3.338 -0.178 3.621 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -2.841 2.757 0.536 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -0.937 -0.002 4.177 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -0.435 2.936 1.089 1.00 0.00 H new ATOM 0 HZ PHE A 89 0.523 1.547 2.908 1.00 0.00 H new ATOM 224 N ARG A 90 -7.513 2.567 2.645 1.00 0.00 N ATOM 225 CA ARG A 90 -8.259 3.840 2.709 1.00 0.00 C ATOM 226 C ARG A 90 -8.458 4.207 4.172 1.00 0.00 C ATOM 227 O ARG A 90 -8.791 5.325 4.510 1.00 0.00 O ATOM 228 CB ARG A 90 -9.608 3.695 1.979 1.00 0.00 C ATOM 229 CG ARG A 90 -10.738 3.330 2.946 1.00 0.00 C ATOM 230 CD ARG A 90 -10.528 1.923 3.488 1.00 0.00 C ATOM 231 NE ARG A 90 -11.687 1.086 3.076 1.00 0.00 N ATOM 232 CZ ARG A 90 -12.189 0.208 3.899 1.00 0.00 C ATOM 233 NH1 ARG A 90 -11.480 -0.222 4.907 1.00 0.00 N ATOM 234 NH2 ARG A 90 -13.402 -0.241 3.716 1.00 0.00 N ATOM 0 H ARG A 90 -8.030 1.780 2.254 1.00 0.00 H new ATOM 0 HA ARG A 90 -7.701 4.635 2.214 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -9.850 4.629 1.472 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -9.525 2.927 1.210 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -10.768 4.044 3.769 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -11.699 3.392 2.435 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -9.599 1.502 3.102 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -10.442 1.944 4.574 1.00 0.00 H new ATOM 0 HE ARG A 90 -12.090 1.199 2.146 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -10.533 0.129 5.051 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -11.873 -0.909 5.551 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -13.957 0.095 2.929 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -13.794 -0.928 4.360 1.00 0.00 H new ATOM 248 N VAL A 91 -8.243 3.265 5.043 1.00 0.00 N ATOM 249 CA VAL A 91 -8.404 3.543 6.484 1.00 0.00 C ATOM 250 C VAL A 91 -7.619 4.808 6.829 1.00 0.00 C ATOM 251 O VAL A 91 -7.932 5.520 7.762 1.00 0.00 O ATOM 252 CB VAL A 91 -7.863 2.361 7.284 1.00 0.00 C ATOM 253 CG1 VAL A 91 -8.019 2.639 8.780 1.00 0.00 C ATOM 254 CG2 VAL A 91 -8.645 1.104 6.904 1.00 0.00 C ATOM 0 H VAL A 91 -7.962 2.312 4.813 1.00 0.00 H new ATOM 0 HA VAL A 91 -9.456 3.688 6.728 1.00 0.00 H new ATOM 0 HB VAL A 91 -6.806 2.215 7.060 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -7.632 1.794 9.349 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -7.463 3.539 9.043 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -9.074 2.783 9.015 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -8.265 0.254 7.471 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -9.701 1.250 7.132 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -8.527 0.911 5.838 1.00 0.00 H new ATOM 264 N PHE A 92 -6.596 5.081 6.069 1.00 0.00 N ATOM 265 CA PHE A 92 -5.766 6.285 6.316 1.00 0.00 C ATOM 266 C PHE A 92 -5.939 7.251 5.141 1.00 0.00 C ATOM 267 O PHE A 92 -6.216 8.422 5.313 1.00 0.00 O ATOM 268 CB PHE A 92 -4.312 5.842 6.424 1.00 0.00 C ATOM 269 CG PHE A 92 -4.221 4.715 7.426 1.00 0.00 C ATOM 270 CD1 PHE A 92 -4.085 4.999 8.790 1.00 0.00 C ATOM 271 CD2 PHE A 92 -4.279 3.384 6.993 1.00 0.00 C ATOM 272 CE1 PHE A 92 -4.005 3.954 9.720 1.00 0.00 C ATOM 273 CE2 PHE A 92 -4.200 2.339 7.922 1.00 0.00 C ATOM 274 CZ PHE A 92 -4.061 2.624 9.285 1.00 0.00 C ATOM 0 H PHE A 92 -6.298 4.511 5.277 1.00 0.00 H new ATOM 0 HA PHE A 92 -6.066 6.787 7.236 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -3.944 5.514 5.452 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -3.685 6.677 6.737 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -4.042 6.025 9.126 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -4.385 3.163 5.941 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -3.900 4.174 10.772 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -4.246 1.313 7.587 1.00 0.00 H new ATOM 0 HZ PHE A 92 -3.997 1.818 10.001 1.00 0.00 H new ATOM 284 N ASP A 93 -5.806 6.749 3.945 1.00 0.00 N ATOM 285 CA ASP A 93 -5.988 7.593 2.736 1.00 0.00 C ATOM 286 C ASP A 93 -7.356 7.257 2.150 1.00 0.00 C ATOM 287 O ASP A 93 -7.478 6.891 0.998 1.00 0.00 O ATOM 288 CB ASP A 93 -4.894 7.290 1.699 1.00 0.00 C ATOM 289 CG ASP A 93 -4.095 6.053 2.095 1.00 0.00 C ATOM 290 OD1 ASP A 93 -4.686 4.994 2.184 1.00 0.00 O ATOM 291 OD2 ASP A 93 -2.904 6.187 2.286 1.00 0.00 O ATOM 0 H ASP A 93 -5.575 5.774 3.754 1.00 0.00 H new ATOM 0 HA ASP A 93 -5.921 8.649 2.998 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -5.348 7.136 0.720 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -4.225 8.146 1.609 1.00 0.00 H new ATOM 337 N ASN A 97 -5.842 11.220 0.199 1.00 0.00 N ATOM 338 CA ASN A 97 -4.356 11.288 0.265 1.00 0.00 C ATOM 339 C ASN A 97 -3.729 10.282 -0.703 1.00 0.00 C ATOM 340 O ASN A 97 -2.849 10.615 -1.472 1.00 0.00 O ATOM 341 CB ASN A 97 -3.899 10.970 1.691 1.00 0.00 C ATOM 342 CG ASN A 97 -4.543 11.959 2.665 1.00 0.00 C ATOM 343 OD1 ASN A 97 -3.877 12.820 3.204 1.00 0.00 O ATOM 344 ND2 ASN A 97 -5.820 11.868 2.919 1.00 0.00 N ATOM 0 HA ASN A 97 -4.037 12.292 -0.016 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -4.178 9.950 1.955 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -2.813 11.031 1.759 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -6.258 12.520 3.570 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -6.380 11.145 2.467 1.00 0.00 H new ATOM 351 N GLY A 98 -4.159 9.053 -0.655 1.00 0.00 N ATOM 352 CA GLY A 98 -3.574 8.012 -1.542 1.00 0.00 C ATOM 353 C GLY A 98 -2.313 7.484 -0.864 1.00 0.00 C ATOM 354 O GLY A 98 -2.260 6.363 -0.399 1.00 0.00 O ATOM 0 H GLY A 98 -4.897 8.723 -0.033 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -4.287 7.204 -1.707 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -3.336 8.431 -2.520 1.00 0.00 H new ATOM 358 N TYR A 99 -1.305 8.305 -0.791 1.00 0.00 N ATOM 359 CA TYR A 99 -0.033 7.906 -0.133 1.00 0.00 C ATOM 360 C TYR A 99 -0.191 8.029 1.380 1.00 0.00 C ATOM 361 O TYR A 99 -0.971 8.823 1.869 1.00 0.00 O ATOM 362 CB TYR A 99 1.077 8.837 -0.628 1.00 0.00 C ATOM 363 CG TYR A 99 1.027 10.154 0.114 1.00 0.00 C ATOM 364 CD1 TYR A 99 1.530 10.243 1.419 1.00 0.00 C ATOM 365 CD2 TYR A 99 0.475 11.285 -0.500 1.00 0.00 C ATOM 366 CE1 TYR A 99 1.484 11.460 2.106 1.00 0.00 C ATOM 367 CE2 TYR A 99 0.429 12.503 0.188 1.00 0.00 C ATOM 368 CZ TYR A 99 0.932 12.591 1.492 1.00 0.00 C ATOM 369 OH TYR A 99 0.886 13.792 2.170 1.00 0.00 O ATOM 0 H TYR A 99 -1.310 9.253 -1.167 1.00 0.00 H new ATOM 0 HA TYR A 99 0.219 6.874 -0.376 1.00 0.00 H new ATOM 0 HB2 TYR A 99 2.049 8.366 -0.481 1.00 0.00 H new ATOM 0 HB3 TYR A 99 0.965 9.010 -1.698 1.00 0.00 H new ATOM 0 HD1 TYR A 99 1.954 9.371 1.895 1.00 0.00 H new ATOM 0 HD2 TYR A 99 0.085 11.217 -1.505 1.00 0.00 H new ATOM 0 HE1 TYR A 99 1.874 11.528 3.111 1.00 0.00 H new ATOM 0 HE2 TYR A 99 0.005 13.375 -0.287 1.00 0.00 H new ATOM 0 HH TYR A 99 0.473 14.474 1.600 1.00 0.00 H new ATOM 379 N ILE A 100 0.540 7.257 2.127 1.00 0.00 N ATOM 380 CA ILE A 100 0.419 7.349 3.603 1.00 0.00 C ATOM 381 C ILE A 100 1.809 7.288 4.241 1.00 0.00 C ATOM 382 O ILE A 100 2.439 8.305 4.451 1.00 0.00 O ATOM 383 CB ILE A 100 -0.482 6.226 4.135 1.00 0.00 C ATOM 384 CG1 ILE A 100 -0.679 5.133 3.064 1.00 0.00 C ATOM 385 CG2 ILE A 100 -1.830 6.847 4.522 1.00 0.00 C ATOM 386 CD1 ILE A 100 -1.760 4.152 3.520 1.00 0.00 C ATOM 0 H ILE A 100 1.212 6.571 1.783 1.00 0.00 H new ATOM 0 HA ILE A 100 -0.041 8.301 3.867 1.00 0.00 H new ATOM 0 HB ILE A 100 -0.020 5.755 5.003 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -0.964 5.587 2.115 1.00 0.00 H new ATOM 0 HG13 ILE A 100 0.258 4.603 2.895 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -2.492 6.070 4.904 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -1.675 7.603 5.292 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -2.282 7.310 3.645 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -1.896 3.382 2.761 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -1.457 3.687 4.458 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -2.698 4.687 3.666 1.00 0.00 H new ATOM 398 N SER A 101 2.304 6.124 4.555 1.00 0.00 N ATOM 399 CA SER A 101 3.656 6.057 5.177 1.00 0.00 C ATOM 400 C SER A 101 4.016 4.609 5.505 1.00 0.00 C ATOM 401 O SER A 101 3.171 3.736 5.526 1.00 0.00 O ATOM 402 CB SER A 101 3.650 6.875 6.465 1.00 0.00 C ATOM 403 OG SER A 101 4.901 6.725 7.124 1.00 0.00 O ATOM 0 H SER A 101 1.839 5.228 4.411 1.00 0.00 H new ATOM 0 HA SER A 101 4.392 6.456 4.479 1.00 0.00 H new ATOM 0 HB2 SER A 101 3.468 7.926 6.241 1.00 0.00 H new ATOM 0 HB3 SER A 101 2.841 6.543 7.116 1.00 0.00 H new ATOM 0 HG SER A 101 5.623 7.005 6.523 1.00 0.00 H new ATOM 409 N ALA A 102 5.267 4.350 5.773 1.00 0.00 N ATOM 410 CA ALA A 102 5.680 2.963 6.114 1.00 0.00 C ATOM 411 C ALA A 102 4.863 2.491 7.314 1.00 0.00 C ATOM 412 O ALA A 102 4.654 1.310 7.513 1.00 0.00 O ATOM 413 CB ALA A 102 7.170 2.941 6.464 1.00 0.00 C ATOM 0 H ALA A 102 6.019 5.039 5.770 1.00 0.00 H new ATOM 0 HA ALA A 102 5.506 2.303 5.264 1.00 0.00 H new ATOM 0 HB1 ALA A 102 7.470 1.923 6.714 1.00 0.00 H new ATOM 0 HB2 ALA A 102 7.750 3.291 5.610 1.00 0.00 H new ATOM 0 HB3 ALA A 102 7.353 3.593 7.318 1.00 0.00 H new ATOM 419 N ALA A 103 4.390 3.410 8.110 1.00 0.00 N ATOM 420 CA ALA A 103 3.575 3.023 9.293 1.00 0.00 C ATOM 421 C ALA A 103 2.199 2.561 8.815 1.00 0.00 C ATOM 422 O ALA A 103 1.672 1.567 9.274 1.00 0.00 O ATOM 423 CB ALA A 103 3.418 4.229 10.222 1.00 0.00 C ATOM 0 H ALA A 103 4.534 4.413 7.991 1.00 0.00 H new ATOM 0 HA ALA A 103 4.068 2.216 9.835 1.00 0.00 H new ATOM 0 HB1 ALA A 103 2.821 3.945 11.089 1.00 0.00 H new ATOM 0 HB2 ALA A 103 4.401 4.564 10.553 1.00 0.00 H new ATOM 0 HB3 ALA A 103 2.920 5.038 9.687 1.00 0.00 H new ATOM 429 N GLU A 104 1.614 3.271 7.886 1.00 0.00 N ATOM 430 CA GLU A 104 0.277 2.862 7.374 1.00 0.00 C ATOM 431 C GLU A 104 0.376 1.462 6.786 1.00 0.00 C ATOM 432 O GLU A 104 -0.434 0.607 7.059 1.00 0.00 O ATOM 433 CB GLU A 104 -0.178 3.821 6.277 1.00 0.00 C ATOM 434 CG GLU A 104 -1.121 4.865 6.876 1.00 0.00 C ATOM 435 CD GLU A 104 -0.312 6.079 7.337 1.00 0.00 C ATOM 436 OE1 GLU A 104 0.883 5.930 7.531 1.00 0.00 O ATOM 437 OE2 GLU A 104 -0.901 7.137 7.491 1.00 0.00 O ATOM 0 H GLU A 104 2.004 4.113 7.462 1.00 0.00 H new ATOM 0 HA GLU A 104 -0.440 2.880 8.195 1.00 0.00 H new ATOM 0 HB2 GLU A 104 0.685 4.310 5.825 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -0.684 3.270 5.484 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -1.862 5.168 6.136 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -1.667 4.438 7.717 1.00 0.00 H new ATOM 444 N LEU A 105 1.364 1.231 5.971 1.00 0.00 N ATOM 445 CA LEU A 105 1.525 -0.108 5.350 1.00 0.00 C ATOM 446 C LEU A 105 1.801 -1.150 6.433 1.00 0.00 C ATOM 447 O LEU A 105 1.336 -2.270 6.367 1.00 0.00 O ATOM 448 CB LEU A 105 2.688 -0.055 4.370 1.00 0.00 C ATOM 449 CG LEU A 105 2.194 -0.475 2.992 1.00 0.00 C ATOM 450 CD1 LEU A 105 2.558 0.599 1.966 1.00 0.00 C ATOM 451 CD2 LEU A 105 2.853 -1.805 2.609 1.00 0.00 C ATOM 0 H LEU A 105 2.071 1.917 5.707 1.00 0.00 H new ATOM 0 HA LEU A 105 0.612 -0.386 4.823 1.00 0.00 H new ATOM 0 HB2 LEU A 105 3.102 0.953 4.331 1.00 0.00 H new ATOM 0 HB3 LEU A 105 3.489 -0.716 4.700 1.00 0.00 H new ATOM 0 HG LEU A 105 1.111 -0.596 3.009 1.00 0.00 H new ATOM 0 HD11 LEU A 105 2.203 0.296 0.981 1.00 0.00 H new ATOM 0 HD12 LEU A 105 2.090 1.543 2.246 1.00 0.00 H new ATOM 0 HD13 LEU A 105 3.640 0.725 1.939 1.00 0.00 H new ATOM 0 HD21 LEU A 105 2.505 -2.113 1.623 1.00 0.00 H new ATOM 0 HD22 LEU A 105 3.936 -1.682 2.589 1.00 0.00 H new ATOM 0 HD23 LEU A 105 2.588 -2.567 3.342 1.00 0.00 H new ATOM 463 N ARG A 106 2.553 -0.784 7.431 1.00 0.00 N ATOM 464 CA ARG A 106 2.866 -1.740 8.530 1.00 0.00 C ATOM 465 C ARG A 106 1.576 -2.148 9.251 1.00 0.00 C ATOM 466 O ARG A 106 1.568 -3.049 10.065 1.00 0.00 O ATOM 467 CB ARG A 106 3.815 -1.051 9.514 1.00 0.00 C ATOM 468 CG ARG A 106 3.773 -1.751 10.877 1.00 0.00 C ATOM 469 CD ARG A 106 2.601 -1.200 11.692 1.00 0.00 C ATOM 470 NE ARG A 106 3.124 -0.436 12.859 1.00 0.00 N ATOM 471 CZ ARG A 106 3.645 -1.071 13.873 1.00 0.00 C ATOM 472 NH1 ARG A 106 2.870 -1.599 14.780 1.00 0.00 N ATOM 473 NH2 ARG A 106 4.941 -1.176 13.979 1.00 0.00 N ATOM 0 H ARG A 106 2.968 0.142 7.534 1.00 0.00 H new ATOM 0 HA ARG A 106 3.334 -2.636 8.123 1.00 0.00 H new ATOM 0 HB2 ARG A 106 4.831 -1.068 9.121 1.00 0.00 H new ATOM 0 HB3 ARG A 106 3.534 -0.004 9.627 1.00 0.00 H new ATOM 0 HG2 ARG A 106 3.664 -2.827 10.743 1.00 0.00 H new ATOM 0 HG3 ARG A 106 4.710 -1.590 11.411 1.00 0.00 H new ATOM 0 HD2 ARG A 106 1.982 -0.554 11.069 1.00 0.00 H new ATOM 0 HD3 ARG A 106 1.966 -2.017 12.034 1.00 0.00 H new ATOM 0 HE ARG A 106 3.075 0.583 12.865 1.00 0.00 H new ATOM 0 HH11 ARG A 106 1.857 -1.515 14.697 1.00 0.00 H new ATOM 0 HH12 ARG A 106 3.277 -2.095 15.573 1.00 0.00 H new ATOM 0 HH21 ARG A 106 5.546 -0.762 13.270 1.00 0.00 H new ATOM 0 HH22 ARG A 106 5.349 -1.672 14.771 1.00 0.00 H new ATOM 487 N HIS A 107 0.493 -1.483 8.976 1.00 0.00 N ATOM 488 CA HIS A 107 -0.785 -1.831 9.667 1.00 0.00 C ATOM 489 C HIS A 107 -1.779 -2.478 8.693 1.00 0.00 C ATOM 490 O HIS A 107 -2.439 -3.444 9.023 1.00 0.00 O ATOM 491 CB HIS A 107 -1.407 -0.559 10.248 1.00 0.00 C ATOM 492 CG HIS A 107 -2.744 -0.888 10.852 1.00 0.00 C ATOM 493 ND1 HIS A 107 -3.849 -1.525 10.342 1.00 0.00 N flip ATOM 494 CD2 HIS A 107 -3.070 -0.547 12.155 1.00 0.00 C flip ATOM 495 CE1 HIS A 107 -4.846 -1.579 11.311 1.00 0.00 C flip ATOM 496 NE2 HIS A 107 -4.325 -0.976 12.384 1.00 0.00 N flip ATOM 0 H HIS A 107 0.432 -0.716 8.306 1.00 0.00 H new ATOM 0 HA HIS A 107 -0.565 -2.543 10.462 1.00 0.00 H new ATOM 0 HB2 HIS A 107 -0.749 -0.132 11.005 1.00 0.00 H new ATOM 0 HB3 HIS A 107 -1.523 0.192 9.466 1.00 0.00 H new ATOM 0 HD2 HIS A 107 -2.433 -0.031 12.858 1.00 0.00 H new ATOM 0 HE1 HIS A 107 -5.830 -2.015 11.216 1.00 0.00 H new ATOM 0 HE2 HIS A 107 -4.818 -0.856 13.269 1.00 0.00 H new ATOM 504 N VAL A 108 -1.912 -1.947 7.508 1.00 0.00 N ATOM 505 CA VAL A 108 -2.886 -2.524 6.531 1.00 0.00 C ATOM 506 C VAL A 108 -2.270 -3.712 5.814 1.00 0.00 C ATOM 507 O VAL A 108 -2.893 -4.733 5.659 1.00 0.00 O ATOM 508 CB VAL A 108 -3.279 -1.476 5.487 1.00 0.00 C ATOM 509 CG1 VAL A 108 -4.760 -1.633 5.143 1.00 0.00 C ATOM 510 CG2 VAL A 108 -3.033 -0.068 6.036 1.00 0.00 C ATOM 0 H VAL A 108 -1.389 -1.138 7.172 1.00 0.00 H new ATOM 0 HA VAL A 108 -3.770 -2.842 7.084 1.00 0.00 H new ATOM 0 HB VAL A 108 -2.674 -1.621 4.592 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -5.042 -0.887 4.400 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -4.936 -2.631 4.741 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -5.359 -1.493 6.043 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -3.316 0.670 5.285 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -3.631 0.082 6.935 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -1.977 0.048 6.279 1.00 0.00 H new ATOM 520 N MET A 109 -1.060 -3.593 5.362 1.00 0.00 N ATOM 521 CA MET A 109 -0.433 -4.733 4.651 1.00 0.00 C ATOM 522 C MET A 109 0.006 -5.786 5.676 1.00 0.00 C ATOM 523 O MET A 109 0.571 -6.804 5.332 1.00 0.00 O ATOM 524 CB MET A 109 0.771 -4.206 3.865 1.00 0.00 C ATOM 525 CG MET A 109 0.782 -4.729 2.418 1.00 0.00 C ATOM 526 SD MET A 109 -0.880 -4.742 1.696 1.00 0.00 S ATOM 527 CE MET A 109 -0.818 -6.431 1.054 1.00 0.00 C ATOM 0 H MET A 109 -0.479 -2.760 5.453 1.00 0.00 H new ATOM 0 HA MET A 109 -1.139 -5.196 3.962 1.00 0.00 H new ATOM 0 HB2 MET A 109 0.751 -3.116 3.857 1.00 0.00 H new ATOM 0 HB3 MET A 109 1.692 -4.505 4.367 1.00 0.00 H new ATOM 0 HG2 MET A 109 1.437 -4.105 1.811 1.00 0.00 H new ATOM 0 HG3 MET A 109 1.195 -5.738 2.399 1.00 0.00 H new ATOM 0 HE1 MET A 109 -1.258 -6.458 0.057 1.00 0.00 H new ATOM 0 HE2 MET A 109 0.219 -6.763 1.002 1.00 0.00 H new ATOM 0 HE3 MET A 109 -1.378 -7.092 1.715 1.00 0.00 H new ATOM 537 N THR A 110 -0.269 -5.554 6.933 1.00 0.00 N ATOM 538 CA THR A 110 0.110 -6.532 7.985 1.00 0.00 C ATOM 539 C THR A 110 -1.055 -7.499 8.218 1.00 0.00 C ATOM 540 O THR A 110 -0.898 -8.554 8.801 1.00 0.00 O ATOM 541 CB THR A 110 0.396 -5.769 9.276 1.00 0.00 C ATOM 542 OG1 THR A 110 -0.302 -4.533 9.254 1.00 0.00 O ATOM 543 CG2 THR A 110 1.893 -5.506 9.402 1.00 0.00 C ATOM 0 H THR A 110 -0.745 -4.719 7.275 1.00 0.00 H new ATOM 0 HA THR A 110 0.992 -7.093 7.677 1.00 0.00 H new ATOM 0 HB THR A 110 0.065 -6.363 10.128 1.00 0.00 H new ATOM 0 HG1 THR A 110 -1.264 -4.699 9.335 1.00 0.00 H new ATOM 0 HG21 THR A 110 2.090 -4.961 10.325 1.00 0.00 H new ATOM 0 HG22 THR A 110 2.429 -6.455 9.419 1.00 0.00 H new ATOM 0 HG23 THR A 110 2.231 -4.914 8.552 1.00 0.00 H new ATOM 551 N ASN A 111 -2.220 -7.137 7.761 1.00 0.00 N ATOM 552 CA ASN A 111 -3.415 -8.013 7.940 1.00 0.00 C ATOM 553 C ASN A 111 -3.975 -8.358 6.561 1.00 0.00 C ATOM 554 O ASN A 111 -4.524 -9.421 6.345 1.00 0.00 O ATOM 555 CB ASN A 111 -4.476 -7.269 8.759 1.00 0.00 C ATOM 556 CG ASN A 111 -4.515 -5.799 8.330 1.00 0.00 C ATOM 557 OD1 ASN A 111 -4.575 -5.500 7.154 1.00 0.00 O ATOM 558 ND2 ASN A 111 -4.483 -4.863 9.241 1.00 0.00 N ATOM 0 H ASN A 111 -2.399 -6.263 7.266 1.00 0.00 H new ATOM 0 HA ASN A 111 -3.137 -8.926 8.467 1.00 0.00 H new ATOM 0 HB2 ASN A 111 -5.453 -7.728 8.610 1.00 0.00 H new ATOM 0 HB3 ASN A 111 -4.248 -7.343 9.822 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -4.508 -3.881 8.965 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -4.433 -5.114 10.228 1.00 0.00 H new ATOM 565 N LEU A 112 -3.823 -7.461 5.628 1.00 0.00 N ATOM 566 CA LEU A 112 -4.316 -7.705 4.244 1.00 0.00 C ATOM 567 C LEU A 112 -3.992 -9.144 3.843 1.00 0.00 C ATOM 568 O LEU A 112 -3.211 -9.814 4.491 1.00 0.00 O ATOM 569 CB LEU A 112 -3.600 -6.740 3.287 1.00 0.00 C ATOM 570 CG LEU A 112 -4.509 -5.557 2.928 1.00 0.00 C ATOM 571 CD1 LEU A 112 -5.440 -5.964 1.785 1.00 0.00 C ATOM 572 CD2 LEU A 112 -5.346 -5.144 4.144 1.00 0.00 C ATOM 0 H LEU A 112 -3.372 -6.557 5.768 1.00 0.00 H new ATOM 0 HA LEU A 112 -5.393 -7.546 4.197 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -2.684 -6.373 3.750 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -3.309 -7.269 2.380 1.00 0.00 H new ATOM 0 HG LEU A 112 -3.891 -4.713 2.620 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -6.087 -5.126 1.527 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -4.847 -6.245 0.915 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -6.050 -6.811 2.097 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -5.987 -4.304 3.876 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -5.963 -5.984 4.463 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -4.684 -4.850 4.959 1.00 0.00 H new ATOM 584 N GLY A 113 -4.572 -9.623 2.777 1.00 0.00 N ATOM 585 CA GLY A 113 -4.282 -11.018 2.336 1.00 0.00 C ATOM 586 C GLY A 113 -2.779 -11.287 2.463 1.00 0.00 C ATOM 587 O GLY A 113 -2.352 -12.409 2.644 1.00 0.00 O ATOM 0 H GLY A 113 -5.233 -9.111 2.193 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -4.843 -11.728 2.944 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -4.603 -11.159 1.304 1.00 0.00 H new ATOM 591 N GLU A 114 -1.976 -10.261 2.371 1.00 0.00 N ATOM 592 CA GLU A 114 -0.504 -10.451 2.491 1.00 0.00 C ATOM 593 C GLU A 114 -0.143 -10.820 3.931 1.00 0.00 C ATOM 594 O GLU A 114 0.387 -11.882 4.191 1.00 0.00 O ATOM 595 CB GLU A 114 0.212 -9.155 2.113 1.00 0.00 C ATOM 596 CG GLU A 114 0.511 -9.150 0.613 1.00 0.00 C ATOM 597 CD GLU A 114 1.440 -10.316 0.272 1.00 0.00 C ATOM 598 OE1 GLU A 114 2.629 -10.194 0.526 1.00 0.00 O ATOM 599 OE2 GLU A 114 0.951 -11.310 -0.235 1.00 0.00 O ATOM 0 H GLU A 114 -2.278 -9.299 2.218 1.00 0.00 H new ATOM 0 HA GLU A 114 -0.194 -11.253 1.821 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -0.408 -8.297 2.373 1.00 0.00 H new ATOM 0 HB3 GLU A 114 1.139 -9.062 2.679 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -0.417 -9.233 0.047 1.00 0.00 H new ATOM 0 HG3 GLU A 114 0.975 -8.206 0.327 1.00 0.00 H new ATOM 606 N LYS A 115 -0.410 -9.950 4.873 1.00 0.00 N ATOM 607 CA LYS A 115 -0.059 -10.272 6.281 1.00 0.00 C ATOM 608 C LYS A 115 1.373 -10.808 6.319 1.00 0.00 C ATOM 609 O LYS A 115 1.601 -12.002 6.329 1.00 0.00 O ATOM 610 CB LYS A 115 -1.025 -11.332 6.815 1.00 0.00 C ATOM 611 CG LYS A 115 -0.757 -11.574 8.301 1.00 0.00 C ATOM 612 CD LYS A 115 -1.590 -12.764 8.780 1.00 0.00 C ATOM 613 CE LYS A 115 -2.394 -12.358 10.016 1.00 0.00 C ATOM 614 NZ LYS A 115 -1.584 -12.610 11.239 1.00 0.00 N ATOM 0 H LYS A 115 -0.851 -9.042 4.726 1.00 0.00 H new ATOM 0 HA LYS A 115 -0.133 -9.379 6.901 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -2.055 -11.005 6.670 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -0.904 -12.261 6.258 1.00 0.00 H new ATOM 0 HG2 LYS A 115 0.303 -11.769 8.464 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -1.009 -10.684 8.877 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -2.262 -13.094 7.988 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -0.939 -13.606 9.017 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -2.665 -11.304 9.957 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -3.324 -12.924 10.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -2.130 -12.334 12.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -1.347 -13.621 11.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -0.708 -12.051 11.196 1.00 0.00 H new ATOM 628 N LEU A 116 2.343 -9.930 6.334 1.00 0.00 N ATOM 629 CA LEU A 116 3.758 -10.378 6.366 1.00 0.00 C ATOM 630 C LEU A 116 4.349 -10.035 7.738 1.00 0.00 C ATOM 631 O LEU A 116 3.861 -10.483 8.756 1.00 0.00 O ATOM 632 CB LEU A 116 4.540 -9.673 5.246 1.00 0.00 C ATOM 633 CG LEU A 116 4.273 -8.159 5.281 1.00 0.00 C ATOM 634 CD1 LEU A 116 5.467 -7.415 4.686 1.00 0.00 C ATOM 635 CD2 LEU A 116 3.031 -7.835 4.448 1.00 0.00 C ATOM 0 H LEU A 116 2.210 -8.919 6.325 1.00 0.00 H new ATOM 0 HA LEU A 116 3.822 -11.454 6.207 1.00 0.00 H new ATOM 0 HB2 LEU A 116 5.607 -9.864 5.362 1.00 0.00 H new ATOM 0 HB3 LEU A 116 4.247 -10.079 4.278 1.00 0.00 H new ATOM 0 HG LEU A 116 4.118 -7.850 6.315 1.00 0.00 H new ATOM 0 HD11 LEU A 116 5.277 -6.342 4.711 1.00 0.00 H new ATOM 0 HD12 LEU A 116 6.361 -7.639 5.267 1.00 0.00 H new ATOM 0 HD13 LEU A 116 5.616 -7.733 3.654 1.00 0.00 H new ATOM 0 HD21 LEU A 116 2.845 -6.761 4.475 1.00 0.00 H new ATOM 0 HD22 LEU A 116 3.192 -8.149 3.417 1.00 0.00 H new ATOM 0 HD23 LEU A 116 2.170 -8.363 4.858 1.00 0.00 H new ATOM 647 N THR A 117 5.379 -9.234 7.784 1.00 0.00 N ATOM 648 CA THR A 117 5.969 -8.863 9.098 1.00 0.00 C ATOM 649 C THR A 117 6.066 -7.339 9.176 1.00 0.00 C ATOM 650 O THR A 117 5.826 -6.644 8.208 1.00 0.00 O ATOM 651 CB THR A 117 7.367 -9.474 9.238 1.00 0.00 C ATOM 652 OG1 THR A 117 8.094 -9.277 8.033 1.00 0.00 O ATOM 653 CG2 THR A 117 7.252 -10.971 9.525 1.00 0.00 C ATOM 0 H THR A 117 5.835 -8.822 6.970 1.00 0.00 H new ATOM 0 HA THR A 117 5.340 -9.242 9.903 1.00 0.00 H new ATOM 0 HB THR A 117 7.889 -8.989 10.063 1.00 0.00 H new ATOM 0 HG1 THR A 117 8.212 -10.137 7.578 1.00 0.00 H new ATOM 0 HG21 THR A 117 8.249 -11.400 9.624 1.00 0.00 H new ATOM 0 HG22 THR A 117 6.699 -11.122 10.452 1.00 0.00 H new ATOM 0 HG23 THR A 117 6.726 -11.459 8.705 1.00 0.00 H new ATOM 661 N ASP A 118 6.408 -6.808 10.315 1.00 0.00 N ATOM 662 CA ASP A 118 6.509 -5.329 10.435 1.00 0.00 C ATOM 663 C ASP A 118 7.806 -4.853 9.781 1.00 0.00 C ATOM 664 O ASP A 118 7.864 -3.781 9.219 1.00 0.00 O ATOM 665 CB ASP A 118 6.499 -4.934 11.917 1.00 0.00 C ATOM 666 CG ASP A 118 7.019 -3.501 12.084 1.00 0.00 C ATOM 667 OD1 ASP A 118 8.159 -3.257 11.725 1.00 0.00 O ATOM 668 OD2 ASP A 118 6.269 -2.672 12.568 1.00 0.00 O ATOM 0 H ASP A 118 6.621 -7.331 11.164 1.00 0.00 H new ATOM 0 HA ASP A 118 5.661 -4.863 9.934 1.00 0.00 H new ATOM 0 HB2 ASP A 118 5.487 -5.011 12.315 1.00 0.00 H new ATOM 0 HB3 ASP A 118 7.120 -5.623 12.489 1.00 0.00 H new ATOM 673 N GLU A 119 8.850 -5.631 9.853 1.00 0.00 N ATOM 674 CA GLU A 119 10.131 -5.201 9.227 1.00 0.00 C ATOM 675 C GLU A 119 10.066 -5.480 7.730 1.00 0.00 C ATOM 676 O GLU A 119 10.712 -4.828 6.935 1.00 0.00 O ATOM 677 CB GLU A 119 11.294 -5.980 9.845 1.00 0.00 C ATOM 678 CG GLU A 119 10.999 -7.483 9.786 1.00 0.00 C ATOM 679 CD GLU A 119 12.297 -8.266 9.987 1.00 0.00 C ATOM 680 OE1 GLU A 119 13.344 -7.735 9.651 1.00 0.00 O ATOM 681 OE2 GLU A 119 12.224 -9.382 10.473 1.00 0.00 O ATOM 0 H GLU A 119 8.872 -6.540 10.315 1.00 0.00 H new ATOM 0 HA GLU A 119 10.286 -4.136 9.399 1.00 0.00 H new ATOM 0 HB2 GLU A 119 12.217 -5.760 9.309 1.00 0.00 H new ATOM 0 HB3 GLU A 119 11.444 -5.669 10.879 1.00 0.00 H new ATOM 0 HG2 GLU A 119 10.276 -7.753 10.556 1.00 0.00 H new ATOM 0 HG3 GLU A 119 10.552 -7.739 8.825 1.00 0.00 H new ATOM 688 N GLU A 120 9.279 -6.441 7.344 1.00 0.00 N ATOM 689 CA GLU A 120 9.152 -6.765 5.901 1.00 0.00 C ATOM 690 C GLU A 120 8.275 -5.700 5.240 1.00 0.00 C ATOM 691 O GLU A 120 8.504 -5.296 4.118 1.00 0.00 O ATOM 692 CB GLU A 120 8.503 -8.144 5.753 1.00 0.00 C ATOM 693 CG GLU A 120 8.216 -8.428 4.279 1.00 0.00 C ATOM 694 CD GLU A 120 9.426 -9.124 3.649 1.00 0.00 C ATOM 695 OE1 GLU A 120 10.501 -9.026 4.216 1.00 0.00 O ATOM 696 OE2 GLU A 120 9.254 -9.744 2.612 1.00 0.00 O ATOM 0 H GLU A 120 8.716 -7.018 7.969 1.00 0.00 H new ATOM 0 HA GLU A 120 10.132 -6.780 5.424 1.00 0.00 H new ATOM 0 HB2 GLU A 120 9.162 -8.911 6.159 1.00 0.00 H new ATOM 0 HB3 GLU A 120 7.577 -8.183 6.327 1.00 0.00 H new ATOM 0 HG2 GLU A 120 7.331 -9.057 4.184 1.00 0.00 H new ATOM 0 HG3 GLU A 120 8.003 -7.497 3.753 1.00 0.00 H new ATOM 703 N VAL A 121 7.270 -5.245 5.938 1.00 0.00 N ATOM 704 CA VAL A 121 6.368 -4.205 5.362 1.00 0.00 C ATOM 705 C VAL A 121 7.031 -2.824 5.435 1.00 0.00 C ATOM 706 O VAL A 121 7.081 -2.101 4.463 1.00 0.00 O ATOM 707 CB VAL A 121 5.035 -4.169 6.132 1.00 0.00 C ATOM 708 CG1 VAL A 121 5.279 -4.093 7.643 1.00 0.00 C ATOM 709 CG2 VAL A 121 4.237 -2.941 5.690 1.00 0.00 C ATOM 0 H VAL A 121 7.034 -5.548 6.883 1.00 0.00 H new ATOM 0 HA VAL A 121 6.177 -4.458 4.319 1.00 0.00 H new ATOM 0 HB VAL A 121 4.481 -5.082 5.915 1.00 0.00 H new ATOM 0 HG11 VAL A 121 4.323 -4.069 8.165 1.00 0.00 H new ATOM 0 HG12 VAL A 121 5.846 -4.967 7.964 1.00 0.00 H new ATOM 0 HG13 VAL A 121 5.842 -3.189 7.876 1.00 0.00 H new ATOM 0 HG21 VAL A 121 3.291 -2.908 6.231 1.00 0.00 H new ATOM 0 HG22 VAL A 121 4.809 -2.039 5.905 1.00 0.00 H new ATOM 0 HG23 VAL A 121 4.041 -3.000 4.619 1.00 0.00 H new ATOM 719 N ASP A 122 7.521 -2.446 6.581 1.00 0.00 N ATOM 720 CA ASP A 122 8.158 -1.104 6.721 1.00 0.00 C ATOM 721 C ASP A 122 9.455 -1.035 5.913 1.00 0.00 C ATOM 722 O ASP A 122 9.712 -0.071 5.219 1.00 0.00 O ATOM 723 CB ASP A 122 8.472 -0.848 8.196 1.00 0.00 C ATOM 724 CG ASP A 122 8.950 0.594 8.375 1.00 0.00 C ATOM 725 OD1 ASP A 122 9.029 1.300 7.383 1.00 0.00 O ATOM 726 OD2 ASP A 122 9.230 0.969 9.502 1.00 0.00 O ATOM 0 H ASP A 122 7.509 -3.009 7.431 1.00 0.00 H new ATOM 0 HA ASP A 122 7.469 -0.348 6.344 1.00 0.00 H new ATOM 0 HB2 ASP A 122 7.585 -1.026 8.804 1.00 0.00 H new ATOM 0 HB3 ASP A 122 9.239 -1.542 8.541 1.00 0.00 H new ATOM 731 N GLU A 123 10.282 -2.039 6.003 1.00 0.00 N ATOM 732 CA GLU A 123 11.565 -2.009 5.244 1.00 0.00 C ATOM 733 C GLU A 123 11.285 -2.189 3.753 1.00 0.00 C ATOM 734 O GLU A 123 12.103 -1.863 2.915 1.00 0.00 O ATOM 735 CB GLU A 123 12.476 -3.138 5.730 1.00 0.00 C ATOM 736 CG GLU A 123 13.894 -2.906 5.204 1.00 0.00 C ATOM 737 CD GLU A 123 14.360 -4.138 4.427 1.00 0.00 C ATOM 738 OE1 GLU A 123 14.857 -5.058 5.055 1.00 0.00 O ATOM 739 OE2 GLU A 123 14.212 -4.140 3.216 1.00 0.00 O ATOM 0 H GLU A 123 10.127 -2.875 6.566 1.00 0.00 H new ATOM 0 HA GLU A 123 12.056 -1.050 5.407 1.00 0.00 H new ATOM 0 HB2 GLU A 123 12.481 -3.173 6.819 1.00 0.00 H new ATOM 0 HB3 GLU A 123 12.100 -4.100 5.382 1.00 0.00 H new ATOM 0 HG2 GLU A 123 13.914 -2.027 4.559 1.00 0.00 H new ATOM 0 HG3 GLU A 123 14.573 -2.708 6.034 1.00 0.00 H new ATOM 746 N MET A 124 10.138 -2.705 3.416 1.00 0.00 N ATOM 747 CA MET A 124 9.809 -2.905 1.980 1.00 0.00 C ATOM 748 C MET A 124 9.174 -1.631 1.418 1.00 0.00 C ATOM 749 O MET A 124 9.037 -1.470 0.222 1.00 0.00 O ATOM 750 CB MET A 124 8.825 -4.068 1.852 1.00 0.00 C ATOM 751 CG MET A 124 8.423 -4.234 0.388 1.00 0.00 C ATOM 752 SD MET A 124 9.877 -4.677 -0.593 1.00 0.00 S ATOM 753 CE MET A 124 10.299 -6.200 0.289 1.00 0.00 C ATOM 0 H MET A 124 9.414 -2.997 4.073 1.00 0.00 H new ATOM 0 HA MET A 124 10.718 -3.129 1.421 1.00 0.00 H new ATOM 0 HB2 MET A 124 9.281 -4.987 2.222 1.00 0.00 H new ATOM 0 HB3 MET A 124 7.943 -3.881 2.464 1.00 0.00 H new ATOM 0 HG2 MET A 124 7.660 -5.007 0.295 1.00 0.00 H new ATOM 0 HG3 MET A 124 7.987 -3.308 0.013 1.00 0.00 H new ATOM 0 HE1 MET A 124 10.796 -6.890 -0.393 1.00 0.00 H new ATOM 0 HE2 MET A 124 10.966 -5.967 1.119 1.00 0.00 H new ATOM 0 HE3 MET A 124 9.390 -6.662 0.673 1.00 0.00 H new ATOM 763 N ILE A 125 8.785 -0.723 2.272 1.00 0.00 N ATOM 764 CA ILE A 125 8.156 0.538 1.787 1.00 0.00 C ATOM 765 C ILE A 125 9.208 1.386 1.067 1.00 0.00 C ATOM 766 O ILE A 125 8.885 2.249 0.279 1.00 0.00 O ATOM 767 CB ILE A 125 7.559 1.300 2.992 1.00 0.00 C ATOM 768 CG1 ILE A 125 6.055 1.450 2.783 1.00 0.00 C ATOM 769 CG2 ILE A 125 8.183 2.694 3.150 1.00 0.00 C ATOM 770 CD1 ILE A 125 5.332 0.349 3.557 1.00 0.00 C ATOM 0 H ILE A 125 8.876 -0.801 3.285 1.00 0.00 H new ATOM 0 HA ILE A 125 7.354 0.315 1.083 1.00 0.00 H new ATOM 0 HB ILE A 125 7.773 0.730 3.896 1.00 0.00 H new ATOM 0 HG12 ILE A 125 5.723 2.430 3.125 1.00 0.00 H new ATOM 0 HG13 ILE A 125 5.814 1.384 1.722 1.00 0.00 H new ATOM 0 HG21 ILE A 125 7.737 3.197 4.008 1.00 0.00 H new ATOM 0 HG22 ILE A 125 9.257 2.596 3.305 1.00 0.00 H new ATOM 0 HG23 ILE A 125 7.998 3.280 2.249 1.00 0.00 H new ATOM 0 HD11 ILE A 125 4.256 0.449 3.413 1.00 0.00 H new ATOM 0 HD12 ILE A 125 5.658 -0.626 3.193 1.00 0.00 H new ATOM 0 HD13 ILE A 125 5.566 0.437 4.618 1.00 0.00 H new ATOM 782 N ARG A 126 10.460 1.147 1.329 1.00 0.00 N ATOM 783 CA ARG A 126 11.522 1.939 0.650 1.00 0.00 C ATOM 784 C ARG A 126 11.393 1.752 -0.864 1.00 0.00 C ATOM 785 O ARG A 126 11.979 2.476 -1.643 1.00 0.00 O ATOM 786 CB ARG A 126 12.892 1.452 1.120 1.00 0.00 C ATOM 787 CG ARG A 126 12.862 1.242 2.635 1.00 0.00 C ATOM 788 CD ARG A 126 14.207 1.655 3.231 1.00 0.00 C ATOM 789 NE ARG A 126 15.305 1.053 2.424 1.00 0.00 N ATOM 790 CZ ARG A 126 16.422 1.704 2.250 1.00 0.00 C ATOM 791 NH1 ARG A 126 17.089 2.145 3.282 1.00 0.00 N ATOM 792 NH2 ARG A 126 16.873 1.916 1.043 1.00 0.00 N ATOM 0 H ARG A 126 10.795 0.439 1.983 1.00 0.00 H new ATOM 0 HA ARG A 126 11.415 2.996 0.895 1.00 0.00 H new ATOM 0 HB2 ARG A 126 13.152 0.520 0.617 1.00 0.00 H new ATOM 0 HB3 ARG A 126 13.659 2.180 0.857 1.00 0.00 H new ATOM 0 HG2 ARG A 126 12.059 1.830 3.079 1.00 0.00 H new ATOM 0 HG3 ARG A 126 12.656 0.197 2.864 1.00 0.00 H new ATOM 0 HD2 ARG A 126 14.297 2.741 3.237 1.00 0.00 H new ATOM 0 HD3 ARG A 126 14.277 1.323 4.267 1.00 0.00 H new ATOM 0 HE ARG A 126 15.183 0.130 2.007 1.00 0.00 H new ATOM 0 HH11 ARG A 126 16.737 1.981 4.225 1.00 0.00 H new ATOM 0 HH12 ARG A 126 17.962 2.654 3.145 1.00 0.00 H new ATOM 0 HH21 ARG A 126 16.352 1.573 0.236 1.00 0.00 H new ATOM 0 HH22 ARG A 126 17.746 2.425 0.907 1.00 0.00 H new ATOM 806 N GLU A 127 10.630 0.776 -1.280 1.00 0.00 N ATOM 807 CA GLU A 127 10.455 0.521 -2.735 1.00 0.00 C ATOM 808 C GLU A 127 9.292 1.355 -3.284 1.00 0.00 C ATOM 809 O GLU A 127 9.363 1.889 -4.373 1.00 0.00 O ATOM 810 CB GLU A 127 10.140 -0.961 -2.937 1.00 0.00 C ATOM 811 CG GLU A 127 11.432 -1.776 -2.865 1.00 0.00 C ATOM 812 CD GLU A 127 12.055 -1.870 -4.259 1.00 0.00 C ATOM 813 OE1 GLU A 127 11.742 -1.028 -5.084 1.00 0.00 O ATOM 814 OE2 GLU A 127 12.833 -2.784 -4.478 1.00 0.00 O ATOM 0 H GLU A 127 10.118 0.141 -0.667 1.00 0.00 H new ATOM 0 HA GLU A 127 11.369 0.795 -3.261 1.00 0.00 H new ATOM 0 HB2 GLU A 127 9.441 -1.302 -2.173 1.00 0.00 H new ATOM 0 HB3 GLU A 127 9.657 -1.112 -3.902 1.00 0.00 H new ATOM 0 HG2 GLU A 127 12.132 -1.307 -2.173 1.00 0.00 H new ATOM 0 HG3 GLU A 127 11.224 -2.774 -2.480 1.00 0.00 H new ATOM 821 N ALA A 128 8.215 1.457 -2.552 1.00 0.00 N ATOM 822 CA ALA A 128 7.046 2.238 -3.052 1.00 0.00 C ATOM 823 C ALA A 128 7.195 3.716 -2.680 1.00 0.00 C ATOM 824 O ALA A 128 6.460 4.559 -3.154 1.00 0.00 O ATOM 825 CB ALA A 128 5.764 1.682 -2.426 1.00 0.00 C ATOM 0 H ALA A 128 8.094 1.034 -1.632 1.00 0.00 H new ATOM 0 HA ALA A 128 6.998 2.152 -4.138 1.00 0.00 H new ATOM 0 HB1 ALA A 128 4.907 2.249 -2.788 1.00 0.00 H new ATOM 0 HB2 ALA A 128 5.649 0.634 -2.703 1.00 0.00 H new ATOM 0 HB3 ALA A 128 5.823 1.766 -1.341 1.00 0.00 H new ATOM 831 N ASP A 129 8.136 4.040 -1.837 1.00 0.00 N ATOM 832 CA ASP A 129 8.321 5.465 -1.441 1.00 0.00 C ATOM 833 C ASP A 129 9.320 6.136 -2.385 1.00 0.00 C ATOM 834 O ASP A 129 9.587 5.652 -3.467 1.00 0.00 O ATOM 835 CB ASP A 129 8.848 5.528 -0.006 1.00 0.00 C ATOM 836 CG ASP A 129 8.161 6.671 0.742 1.00 0.00 C ATOM 837 OD1 ASP A 129 6.966 6.569 0.971 1.00 0.00 O ATOM 838 OD2 ASP A 129 8.839 7.628 1.075 1.00 0.00 O ATOM 0 H ASP A 129 8.784 3.381 -1.406 1.00 0.00 H new ATOM 0 HA ASP A 129 7.365 5.986 -1.501 1.00 0.00 H new ATOM 0 HB2 ASP A 129 8.661 4.582 0.503 1.00 0.00 H new ATOM 0 HB3 ASP A 129 9.927 5.679 -0.010 1.00 0.00 H new ATOM 893 N GLY A 134 4.185 11.474 -2.982 1.00 0.00 N ATOM 894 CA GLY A 134 3.566 11.059 -1.690 1.00 0.00 C ATOM 895 C GLY A 134 4.264 9.807 -1.160 1.00 0.00 C ATOM 896 O GLY A 134 4.835 9.039 -1.909 1.00 0.00 O ATOM 0 HA2 GLY A 134 3.646 11.866 -0.962 1.00 0.00 H new ATOM 0 HA3 GLY A 134 2.503 10.862 -1.832 1.00 0.00 H new ATOM 900 N GLN A 135 4.223 9.596 0.129 1.00 0.00 N ATOM 901 CA GLN A 135 4.884 8.394 0.716 1.00 0.00 C ATOM 902 C GLN A 135 4.609 7.175 -0.169 1.00 0.00 C ATOM 903 O GLN A 135 5.331 6.911 -1.110 1.00 0.00 O ATOM 904 CB GLN A 135 4.334 8.147 2.123 1.00 0.00 C ATOM 905 CG GLN A 135 4.693 9.330 3.025 1.00 0.00 C ATOM 906 CD GLN A 135 5.330 8.817 4.317 1.00 0.00 C ATOM 907 OE1 GLN A 135 6.009 7.809 4.314 1.00 0.00 O ATOM 908 NE2 GLN A 135 5.139 9.473 5.429 1.00 0.00 N ATOM 0 H GLN A 135 3.759 10.206 0.802 1.00 0.00 H new ATOM 0 HA GLN A 135 5.960 8.560 0.773 1.00 0.00 H new ATOM 0 HB2 GLN A 135 3.252 8.020 2.085 1.00 0.00 H new ATOM 0 HB3 GLN A 135 4.749 7.225 2.531 1.00 0.00 H new ATOM 0 HG2 GLN A 135 5.382 9.998 2.508 1.00 0.00 H new ATOM 0 HG3 GLN A 135 3.799 9.910 3.254 1.00 0.00 H new ATOM 0 HE21 GLN A 135 4.569 10.319 5.431 1.00 0.00 H new ATOM 0 HE22 GLN A 135 5.560 9.140 6.296 1.00 0.00 H new ATOM 917 N VAL A 136 3.577 6.427 0.119 1.00 0.00 N ATOM 918 CA VAL A 136 3.280 5.233 -0.720 1.00 0.00 C ATOM 919 C VAL A 136 1.781 5.183 -1.034 1.00 0.00 C ATOM 920 O VAL A 136 0.998 4.636 -0.283 1.00 0.00 O ATOM 921 CB VAL A 136 3.699 3.968 0.032 1.00 0.00 C ATOM 922 CG1 VAL A 136 3.266 4.077 1.496 1.00 0.00 C ATOM 923 CG2 VAL A 136 3.040 2.743 -0.606 1.00 0.00 C ATOM 0 H VAL A 136 2.933 6.590 0.893 1.00 0.00 H new ATOM 0 HA VAL A 136 3.836 5.296 -1.655 1.00 0.00 H new ATOM 0 HB VAL A 136 4.782 3.861 -0.021 1.00 0.00 H new ATOM 0 HG11 VAL A 136 3.564 3.176 2.032 1.00 0.00 H new ATOM 0 HG12 VAL A 136 3.742 4.945 1.953 1.00 0.00 H new ATOM 0 HG13 VAL A 136 2.183 4.188 1.548 1.00 0.00 H new ATOM 0 HG21 VAL A 136 3.342 1.845 -0.067 1.00 0.00 H new ATOM 0 HG22 VAL A 136 1.956 2.847 -0.559 1.00 0.00 H new ATOM 0 HG23 VAL A 136 3.352 2.663 -1.647 1.00 0.00 H new ATOM 933 N ASN A 137 1.377 5.745 -2.142 1.00 0.00 N ATOM 934 CA ASN A 137 -0.068 5.722 -2.504 1.00 0.00 C ATOM 935 C ASN A 137 -0.499 4.287 -2.780 1.00 0.00 C ATOM 936 O ASN A 137 0.190 3.354 -2.433 1.00 0.00 O ATOM 937 CB ASN A 137 -0.307 6.588 -3.740 1.00 0.00 C ATOM 938 CG ASN A 137 0.839 6.412 -4.744 1.00 0.00 C ATOM 939 OD1 ASN A 137 1.580 5.337 -4.706 1.00 0.00 O flip ATOM 940 ND2 ASN A 137 1.062 7.268 -5.578 1.00 0.00 N flip ATOM 0 H ASN A 137 1.985 6.218 -2.811 1.00 0.00 H new ATOM 0 HA ASN A 137 -0.656 6.120 -1.677 1.00 0.00 H new ATOM 0 HB2 ASN A 137 -1.253 6.314 -4.207 1.00 0.00 H new ATOM 0 HB3 ASN A 137 -0.386 7.635 -3.449 1.00 0.00 H new ATOM 0 HD21 ASN A 137 0.486 8.109 -5.612 1.00 0.00 H new ATOM 0 HD22 ASN A 137 1.825 7.145 -6.244 1.00 0.00 H new ATOM 947 N TYR A 138 -1.637 4.101 -3.383 1.00 0.00 N ATOM 948 CA TYR A 138 -2.109 2.719 -3.660 1.00 0.00 C ATOM 949 C TYR A 138 -1.415 2.187 -4.898 1.00 0.00 C ATOM 950 O TYR A 138 -1.015 1.043 -4.966 1.00 0.00 O ATOM 951 CB TYR A 138 -3.610 2.737 -3.911 1.00 0.00 C ATOM 952 CG TYR A 138 -4.333 3.271 -2.702 1.00 0.00 C ATOM 953 CD1 TYR A 138 -3.628 3.712 -1.573 1.00 0.00 C ATOM 954 CD2 TYR A 138 -5.720 3.328 -2.720 1.00 0.00 C ATOM 955 CE1 TYR A 138 -4.319 4.204 -0.470 1.00 0.00 C ATOM 956 CE2 TYR A 138 -6.416 3.821 -1.612 1.00 0.00 C ATOM 957 CZ TYR A 138 -5.714 4.261 -0.486 1.00 0.00 C ATOM 958 OH TYR A 138 -6.396 4.752 0.606 1.00 0.00 O ATOM 0 H TYR A 138 -2.260 4.845 -3.696 1.00 0.00 H new ATOM 0 HA TYR A 138 -1.882 2.083 -2.804 1.00 0.00 H new ATOM 0 HB2 TYR A 138 -3.833 3.356 -4.780 1.00 0.00 H new ATOM 0 HB3 TYR A 138 -3.960 1.730 -4.138 1.00 0.00 H new ATOM 0 HD1 TYR A 138 -2.549 3.670 -1.560 1.00 0.00 H new ATOM 0 HD2 TYR A 138 -6.262 2.991 -3.591 1.00 0.00 H new ATOM 0 HE1 TYR A 138 -3.775 4.542 0.400 1.00 0.00 H new ATOM 0 HE2 TYR A 138 -7.495 3.862 -1.626 1.00 0.00 H new ATOM 0 HH TYR A 138 -5.883 4.569 1.421 1.00 0.00 H new ATOM 968 N GLU A 139 -1.290 3.013 -5.884 1.00 0.00 N ATOM 969 CA GLU A 139 -0.642 2.572 -7.141 1.00 0.00 C ATOM 970 C GLU A 139 0.716 1.933 -6.829 1.00 0.00 C ATOM 971 O GLU A 139 1.100 0.947 -7.426 1.00 0.00 O ATOM 972 CB GLU A 139 -0.442 3.773 -8.070 1.00 0.00 C ATOM 973 CG GLU A 139 -1.658 4.698 -7.984 1.00 0.00 C ATOM 974 CD GLU A 139 -1.876 5.382 -9.335 1.00 0.00 C ATOM 975 OE1 GLU A 139 -1.905 4.682 -10.333 1.00 0.00 O ATOM 976 OE2 GLU A 139 -2.014 6.595 -9.348 1.00 0.00 O ATOM 0 H GLU A 139 -1.610 3.982 -5.877 1.00 0.00 H new ATOM 0 HA GLU A 139 -1.281 1.838 -7.632 1.00 0.00 H new ATOM 0 HB2 GLU A 139 0.461 4.316 -7.790 1.00 0.00 H new ATOM 0 HB3 GLU A 139 -0.304 3.433 -9.096 1.00 0.00 H new ATOM 0 HG2 GLU A 139 -2.544 4.127 -7.707 1.00 0.00 H new ATOM 0 HG3 GLU A 139 -1.505 5.446 -7.206 1.00 0.00 H new ATOM 983 N GLU A 140 1.447 2.488 -5.898 1.00 0.00 N ATOM 984 CA GLU A 140 2.780 1.912 -5.550 1.00 0.00 C ATOM 985 C GLU A 140 2.630 0.979 -4.346 1.00 0.00 C ATOM 986 O GLU A 140 3.394 0.053 -4.163 1.00 0.00 O ATOM 987 CB GLU A 140 3.749 3.043 -5.199 1.00 0.00 C ATOM 988 CG GLU A 140 4.135 3.800 -6.471 1.00 0.00 C ATOM 989 CD GLU A 140 5.410 3.194 -7.061 1.00 0.00 C ATOM 990 OE1 GLU A 140 6.482 3.633 -6.681 1.00 0.00 O ATOM 991 OE2 GLU A 140 5.291 2.299 -7.883 1.00 0.00 O ATOM 0 H GLU A 140 1.179 3.315 -5.364 1.00 0.00 H new ATOM 0 HA GLU A 140 3.168 1.352 -6.401 1.00 0.00 H new ATOM 0 HB2 GLU A 140 3.286 3.724 -4.485 1.00 0.00 H new ATOM 0 HB3 GLU A 140 4.640 2.637 -4.721 1.00 0.00 H new ATOM 0 HG2 GLU A 140 3.325 3.747 -7.198 1.00 0.00 H new ATOM 0 HG3 GLU A 140 4.292 4.855 -6.245 1.00 0.00 H new ATOM 998 N PHE A 141 1.648 1.223 -3.526 1.00 0.00 N ATOM 999 CA PHE A 141 1.423 0.364 -2.326 1.00 0.00 C ATOM 1000 C PHE A 141 0.964 -1.022 -2.778 1.00 0.00 C ATOM 1001 O PHE A 141 1.026 -1.982 -2.035 1.00 0.00 O ATOM 1002 CB PHE A 141 0.344 1.013 -1.460 1.00 0.00 C ATOM 1003 CG PHE A 141 -0.198 0.031 -0.452 1.00 0.00 C ATOM 1004 CD1 PHE A 141 0.669 -0.815 0.241 1.00 0.00 C ATOM 1005 CD2 PHE A 141 -1.574 -0.016 -0.198 1.00 0.00 C ATOM 1006 CE1 PHE A 141 0.161 -1.707 1.186 1.00 0.00 C ATOM 1007 CE2 PHE A 141 -2.081 -0.907 0.752 1.00 0.00 C ATOM 1008 CZ PHE A 141 -1.214 -1.753 1.444 1.00 0.00 C ATOM 0 H PHE A 141 0.983 1.989 -3.635 1.00 0.00 H new ATOM 0 HA PHE A 141 2.344 0.264 -1.752 1.00 0.00 H new ATOM 0 HB2 PHE A 141 0.758 1.879 -0.944 1.00 0.00 H new ATOM 0 HB3 PHE A 141 -0.466 1.376 -2.092 1.00 0.00 H new ATOM 0 HD1 PHE A 141 1.731 -0.779 0.046 1.00 0.00 H new ATOM 0 HD2 PHE A 141 -2.245 0.637 -0.737 1.00 0.00 H new ATOM 0 HE1 PHE A 141 0.831 -2.364 1.720 1.00 0.00 H new ATOM 0 HE2 PHE A 141 -3.142 -0.941 0.950 1.00 0.00 H new ATOM 0 HZ PHE A 141 -1.603 -2.443 2.178 1.00 0.00 H new ATOM 1018 N VAL A 142 0.510 -1.135 -3.995 1.00 0.00 N ATOM 1019 CA VAL A 142 0.056 -2.459 -4.503 1.00 0.00 C ATOM 1020 C VAL A 142 1.284 -3.335 -4.760 1.00 0.00 C ATOM 1021 O VAL A 142 1.181 -4.531 -4.944 1.00 0.00 O ATOM 1022 CB VAL A 142 -0.722 -2.265 -5.807 1.00 0.00 C ATOM 1023 CG1 VAL A 142 0.042 -1.306 -6.720 1.00 0.00 C ATOM 1024 CG2 VAL A 142 -0.886 -3.616 -6.510 1.00 0.00 C ATOM 0 H VAL A 142 0.434 -0.366 -4.661 1.00 0.00 H new ATOM 0 HA VAL A 142 -0.592 -2.938 -3.769 1.00 0.00 H new ATOM 0 HB VAL A 142 -1.705 -1.849 -5.584 1.00 0.00 H new ATOM 0 HG11 VAL A 142 -0.512 -1.168 -7.648 1.00 0.00 H new ATOM 0 HG12 VAL A 142 0.159 -0.344 -6.221 1.00 0.00 H new ATOM 0 HG13 VAL A 142 1.025 -1.721 -6.943 1.00 0.00 H new ATOM 0 HG21 VAL A 142 -1.440 -3.478 -7.439 1.00 0.00 H new ATOM 0 HG22 VAL A 142 0.097 -4.032 -6.732 1.00 0.00 H new ATOM 0 HG23 VAL A 142 -1.432 -4.300 -5.860 1.00 0.00 H new ATOM 1034 N GLN A 143 2.450 -2.742 -4.775 1.00 0.00 N ATOM 1035 CA GLN A 143 3.689 -3.531 -5.019 1.00 0.00 C ATOM 1036 C GLN A 143 3.968 -4.420 -3.806 1.00 0.00 C ATOM 1037 O GLN A 143 4.484 -5.512 -3.931 1.00 0.00 O ATOM 1038 CB GLN A 143 4.866 -2.578 -5.236 1.00 0.00 C ATOM 1039 CG GLN A 143 5.739 -3.097 -6.380 1.00 0.00 C ATOM 1040 CD GLN A 143 5.463 -2.282 -7.644 1.00 0.00 C ATOM 1041 OE1 GLN A 143 6.378 -1.872 -8.329 1.00 0.00 O ATOM 1042 NE2 GLN A 143 4.228 -2.027 -7.984 1.00 0.00 N ATOM 0 H GLN A 143 2.595 -1.743 -4.628 1.00 0.00 H new ATOM 0 HA GLN A 143 3.559 -4.152 -5.905 1.00 0.00 H new ATOM 0 HB2 GLN A 143 4.500 -1.578 -5.469 1.00 0.00 H new ATOM 0 HB3 GLN A 143 5.455 -2.497 -4.323 1.00 0.00 H new ATOM 0 HG2 GLN A 143 6.792 -3.023 -6.110 1.00 0.00 H new ATOM 0 HG3 GLN A 143 5.530 -4.151 -6.562 1.00 0.00 H new ATOM 0 HE21 GLN A 143 3.459 -2.371 -7.409 1.00 0.00 H new ATOM 0 HE22 GLN A 143 4.032 -1.484 -8.825 1.00 0.00 H new ATOM 1051 N MET A 144 3.616 -3.966 -2.635 1.00 0.00 N ATOM 1052 CA MET A 144 3.847 -4.795 -1.418 1.00 0.00 C ATOM 1053 C MET A 144 2.744 -5.849 -1.344 1.00 0.00 C ATOM 1054 O MET A 144 2.844 -6.830 -0.634 1.00 0.00 O ATOM 1055 CB MET A 144 3.793 -3.930 -0.148 1.00 0.00 C ATOM 1056 CG MET A 144 4.218 -2.491 -0.452 1.00 0.00 C ATOM 1057 SD MET A 144 5.696 -2.071 0.498 1.00 0.00 S ATOM 1058 CE MET A 144 6.602 -1.325 -0.880 1.00 0.00 C ATOM 0 H MET A 144 3.180 -3.059 -2.468 1.00 0.00 H new ATOM 0 HA MET A 144 4.832 -5.258 -1.481 1.00 0.00 H new ATOM 0 HB2 MET A 144 2.782 -3.937 0.260 1.00 0.00 H new ATOM 0 HB3 MET A 144 4.447 -4.354 0.614 1.00 0.00 H new ATOM 0 HG2 MET A 144 4.417 -2.379 -1.518 1.00 0.00 H new ATOM 0 HG3 MET A 144 3.409 -1.804 -0.205 1.00 0.00 H new ATOM 0 HE1 MET A 144 7.346 -2.030 -1.250 1.00 0.00 H new ATOM 0 HE2 MET A 144 5.906 -1.078 -1.682 1.00 0.00 H new ATOM 0 HE3 MET A 144 7.100 -0.417 -0.539 1.00 0.00 H new ATOM 1068 N MET A 145 1.686 -5.637 -2.077 1.00 0.00 N ATOM 1069 CA MET A 145 0.551 -6.597 -2.070 1.00 0.00 C ATOM 1070 C MET A 145 0.735 -7.609 -3.202 1.00 0.00 C ATOM 1071 O MET A 145 -0.060 -8.512 -3.377 1.00 0.00 O ATOM 1072 CB MET A 145 -0.755 -5.818 -2.272 1.00 0.00 C ATOM 1073 CG MET A 145 -0.593 -4.412 -1.677 1.00 0.00 C ATOM 1074 SD MET A 145 -2.189 -3.563 -1.600 1.00 0.00 S ATOM 1075 CE MET A 145 -3.153 -4.910 -0.876 1.00 0.00 C ATOM 0 H MET A 145 1.560 -4.829 -2.687 1.00 0.00 H new ATOM 0 HA MET A 145 0.516 -7.130 -1.120 1.00 0.00 H new ATOM 0 HB2 MET A 145 -0.995 -5.753 -3.333 1.00 0.00 H new ATOM 0 HB3 MET A 145 -1.583 -6.338 -1.790 1.00 0.00 H new ATOM 0 HG2 MET A 145 -0.164 -4.482 -0.677 1.00 0.00 H new ATOM 0 HG3 MET A 145 0.104 -3.833 -2.283 1.00 0.00 H new ATOM 0 HE1 MET A 145 -4.163 -4.560 -0.661 1.00 0.00 H new ATOM 0 HE2 MET A 145 -3.199 -5.743 -1.578 1.00 0.00 H new ATOM 0 HE3 MET A 145 -2.679 -5.240 0.048 1.00 0.00 H new ATOM 1085 N THR A 146 1.780 -7.469 -3.973 1.00 0.00 N ATOM 1086 CA THR A 146 2.016 -8.424 -5.089 1.00 0.00 C ATOM 1087 C THR A 146 3.515 -8.533 -5.352 1.00 0.00 C ATOM 1088 O THR A 146 3.945 -8.950 -6.410 1.00 0.00 O ATOM 1089 CB THR A 146 1.306 -7.928 -6.351 1.00 0.00 C ATOM 1090 OG1 THR A 146 2.175 -7.066 -7.072 1.00 0.00 O ATOM 1091 CG2 THR A 146 0.037 -7.167 -5.960 1.00 0.00 C ATOM 0 H THR A 146 2.480 -6.733 -3.876 1.00 0.00 H new ATOM 0 HA THR A 146 1.622 -9.404 -4.819 1.00 0.00 H new ATOM 0 HB THR A 146 1.037 -8.780 -6.976 1.00 0.00 H new ATOM 0 HG1 THR A 146 1.723 -6.748 -7.882 1.00 0.00 H new ATOM 0 HG21 THR A 146 -0.468 -6.814 -6.860 1.00 0.00 H new ATOM 0 HG22 THR A 146 -0.629 -7.829 -5.407 1.00 0.00 H new ATOM 0 HG23 THR A 146 0.302 -6.314 -5.335 1.00 0.00 H new