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 41:sc= 0.135 USER MOD Set 1.2: A 135 GLN : amide:sc= -0.351 K(o=-0.22,f=-4.5!) USER MOD Single : A 97 ASN : amide:sc= -0.0778 X(o=-0.078,f=0) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 HIS :FLIP no HE2:sc= -0.559 F(o=-2.7!,f=-0.56) USER MOD Single : A 109 MET CE :methyl 159:sc= -11.4! (180deg=-11.9!) USER MOD Single : A 110 THR OG1 : rot 101:sc= 0.852 USER MOD Single : A 111 ASN : amide:sc= -5.83! C(o=-5.8!,f=-9.7!) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 THR OG1 : rot 180:sc= 0.136 USER MOD Single : A 124 MET CE :methyl -141:sc= -0.387 (180deg=-1.82!) USER MOD Single : A 137 ASN :FLIP amide:sc= -1.64! F(o=-3.5,f=-1.6!) USER MOD Single : A 138 TYR OH : rot -77:sc= -3.46! USER MOD Single : A 143 GLN : amide:sc= -0.366 X(o=-0.37,f=0) USER MOD Single : A 144 MET CE :methyl -173:sc= -13.1! (180deg=-13.1!) USER MOD Single : A 145 MET CE :methyl -147:sc= -10.9! (180deg=-12.6!) USER MOD Single : A 146 THR OG1 : rot -55:sc= 1.03 USER MOD ----------------------------------------------------------------- ATOM 91 N GLU A 82 -7.573 -2.454 -7.880 1.00 0.00 N ATOM 92 CA GLU A 82 -7.102 -2.157 -6.499 1.00 0.00 C ATOM 93 C GLU A 82 -8.254 -2.363 -5.513 1.00 0.00 C ATOM 94 O GLU A 82 -8.104 -2.170 -4.323 1.00 0.00 O ATOM 95 CB GLU A 82 -6.613 -0.709 -6.421 1.00 0.00 C ATOM 96 CG GLU A 82 -5.232 -0.599 -7.070 1.00 0.00 C ATOM 97 CD GLU A 82 -4.985 0.846 -7.506 1.00 0.00 C ATOM 98 OE1 GLU A 82 -5.940 1.497 -7.895 1.00 0.00 O ATOM 99 OE2 GLU A 82 -3.845 1.277 -7.442 1.00 0.00 O ATOM 0 HA GLU A 82 -6.281 -2.827 -6.245 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -7.317 -0.049 -6.927 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -6.564 -0.386 -5.381 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -4.462 -0.914 -6.366 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -5.169 -1.265 -7.930 1.00 0.00 H new ATOM 106 N GLU A 83 -9.405 -2.753 -5.997 1.00 0.00 N ATOM 107 CA GLU A 83 -10.561 -2.972 -5.083 1.00 0.00 C ATOM 108 C GLU A 83 -10.085 -3.717 -3.836 1.00 0.00 C ATOM 109 O GLU A 83 -10.629 -3.565 -2.760 1.00 0.00 O ATOM 110 CB GLU A 83 -11.630 -3.798 -5.794 1.00 0.00 C ATOM 111 CG GLU A 83 -10.958 -4.972 -6.494 1.00 0.00 C ATOM 112 CD GLU A 83 -12.007 -5.792 -7.248 1.00 0.00 C ATOM 113 OE1 GLU A 83 -13.149 -5.795 -6.819 1.00 0.00 O ATOM 114 OE2 GLU A 83 -11.649 -6.402 -8.242 1.00 0.00 O ATOM 0 H GLU A 83 -9.592 -2.929 -6.984 1.00 0.00 H new ATOM 0 HA GLU A 83 -10.984 -2.009 -4.795 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -12.368 -4.158 -5.077 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -12.163 -3.182 -6.518 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -10.199 -4.609 -7.187 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -10.448 -5.600 -5.763 1.00 0.00 H new ATOM 121 N GLU A 84 -9.064 -4.517 -3.974 1.00 0.00 N ATOM 122 CA GLU A 84 -8.538 -5.268 -2.801 1.00 0.00 C ATOM 123 C GLU A 84 -7.466 -4.425 -2.110 1.00 0.00 C ATOM 124 O GLU A 84 -7.353 -4.412 -0.900 1.00 0.00 O ATOM 125 CB GLU A 84 -7.926 -6.589 -3.277 1.00 0.00 C ATOM 126 CG GLU A 84 -8.562 -7.752 -2.512 1.00 0.00 C ATOM 127 CD GLU A 84 -9.913 -8.099 -3.141 1.00 0.00 C ATOM 128 OE1 GLU A 84 -9.919 -8.826 -4.121 1.00 0.00 O ATOM 129 OE2 GLU A 84 -10.919 -7.631 -2.631 1.00 0.00 O ATOM 0 H GLU A 84 -8.570 -4.683 -4.851 1.00 0.00 H new ATOM 0 HA GLU A 84 -9.347 -5.477 -2.101 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -8.088 -6.712 -4.348 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -6.848 -6.581 -3.117 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -7.904 -8.620 -2.536 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -8.695 -7.482 -1.464 1.00 0.00 H new ATOM 136 N ILE A 85 -6.679 -3.716 -2.874 1.00 0.00 N ATOM 137 CA ILE A 85 -5.614 -2.865 -2.272 1.00 0.00 C ATOM 138 C ILE A 85 -6.247 -1.611 -1.669 1.00 0.00 C ATOM 139 O ILE A 85 -6.286 -1.445 -0.466 1.00 0.00 O ATOM 140 CB ILE A 85 -4.623 -2.448 -3.354 1.00 0.00 C ATOM 141 CG1 ILE A 85 -3.894 -3.683 -3.888 1.00 0.00 C ATOM 142 CG2 ILE A 85 -3.613 -1.471 -2.754 1.00 0.00 C ATOM 143 CD1 ILE A 85 -4.286 -3.919 -5.348 1.00 0.00 C ATOM 0 H ILE A 85 -6.729 -3.690 -3.892 1.00 0.00 H new ATOM 0 HA ILE A 85 -5.097 -3.429 -1.496 1.00 0.00 H new ATOM 0 HB ILE A 85 -5.155 -1.967 -4.175 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -2.816 -3.544 -3.808 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -4.148 -4.556 -3.287 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -2.900 -1.168 -3.521 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -4.136 -0.592 -2.377 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -3.081 -1.955 -1.935 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -3.766 -4.799 -5.727 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -5.362 -4.077 -5.415 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -4.009 -3.049 -5.944 1.00 0.00 H new ATOM 155 N ARG A 86 -6.736 -0.724 -2.501 1.00 0.00 N ATOM 156 CA ARG A 86 -7.364 0.525 -1.988 1.00 0.00 C ATOM 157 C ARG A 86 -8.175 0.217 -0.740 1.00 0.00 C ATOM 158 O ARG A 86 -8.025 0.855 0.270 1.00 0.00 O ATOM 159 CB ARG A 86 -8.297 1.105 -3.048 1.00 0.00 C ATOM 160 CG ARG A 86 -8.022 2.597 -3.215 1.00 0.00 C ATOM 161 CD ARG A 86 -8.902 3.392 -2.249 1.00 0.00 C ATOM 162 NE ARG A 86 -10.318 3.341 -2.710 1.00 0.00 N ATOM 163 CZ ARG A 86 -11.268 3.030 -1.870 1.00 0.00 C ATOM 164 NH1 ARG A 86 -11.755 3.940 -1.071 1.00 0.00 N ATOM 165 NH2 ARG A 86 -11.731 1.811 -1.829 1.00 0.00 N ATOM 0 H ARG A 86 -6.725 -0.815 -3.517 1.00 0.00 H new ATOM 0 HA ARG A 86 -6.579 1.243 -1.752 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -8.150 0.590 -3.997 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -9.336 0.947 -2.758 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -6.970 2.807 -3.021 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -8.224 2.902 -4.242 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -8.821 2.980 -1.243 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -8.562 4.426 -2.198 1.00 0.00 H new ATOM 0 HE ARG A 86 -10.545 3.549 -3.682 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -11.393 4.893 -1.103 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -12.497 3.698 -0.415 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -11.351 1.100 -2.454 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -12.473 1.569 -1.172 1.00 0.00 H new ATOM 179 N GLU A 87 -9.035 -0.755 -0.800 1.00 0.00 N ATOM 180 CA GLU A 87 -9.850 -1.083 0.396 1.00 0.00 C ATOM 181 C GLU A 87 -8.920 -1.333 1.586 1.00 0.00 C ATOM 182 O GLU A 87 -9.086 -0.764 2.643 1.00 0.00 O ATOM 183 CB GLU A 87 -10.684 -2.332 0.116 1.00 0.00 C ATOM 184 CG GLU A 87 -11.545 -2.651 1.337 1.00 0.00 C ATOM 185 CD GLU A 87 -12.026 -4.101 1.259 1.00 0.00 C ATOM 186 OE1 GLU A 87 -12.793 -4.403 0.360 1.00 0.00 O ATOM 187 OE2 GLU A 87 -11.618 -4.885 2.101 1.00 0.00 O ATOM 0 H GLU A 87 -9.209 -1.334 -1.621 1.00 0.00 H new ATOM 0 HA GLU A 87 -10.517 -0.253 0.627 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -11.317 -2.172 -0.757 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -10.032 -3.175 -0.113 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -10.971 -2.496 2.250 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -12.399 -1.975 1.379 1.00 0.00 H new ATOM 194 N ALA A 88 -7.936 -2.172 1.419 1.00 0.00 N ATOM 195 CA ALA A 88 -6.991 -2.437 2.542 1.00 0.00 C ATOM 196 C ALA A 88 -5.888 -1.379 2.504 1.00 0.00 C ATOM 197 O ALA A 88 -4.757 -1.668 2.179 1.00 0.00 O ATOM 198 CB ALA A 88 -6.375 -3.826 2.375 1.00 0.00 C ATOM 0 H ALA A 88 -7.745 -2.684 0.558 1.00 0.00 H new ATOM 0 HA ALA A 88 -7.518 -2.395 3.495 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -5.685 -4.019 3.196 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -7.165 -4.577 2.381 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -5.836 -3.874 1.429 1.00 0.00 H new ATOM 204 N PHE A 89 -6.231 -0.156 2.824 1.00 0.00 N ATOM 205 CA PHE A 89 -5.244 0.972 2.803 1.00 0.00 C ATOM 206 C PHE A 89 -6.030 2.283 2.848 1.00 0.00 C ATOM 207 O PHE A 89 -5.524 3.312 3.250 1.00 0.00 O ATOM 208 CB PHE A 89 -4.421 0.931 1.501 1.00 0.00 C ATOM 209 CG PHE A 89 -3.013 1.431 1.741 1.00 0.00 C ATOM 210 CD1 PHE A 89 -2.338 1.113 2.927 1.00 0.00 C ATOM 211 CD2 PHE A 89 -2.379 2.218 0.767 1.00 0.00 C ATOM 212 CE1 PHE A 89 -1.034 1.579 3.137 1.00 0.00 C ATOM 213 CE2 PHE A 89 -1.077 2.685 0.981 1.00 0.00 C ATOM 214 CZ PHE A 89 -0.405 2.364 2.164 1.00 0.00 C ATOM 0 H PHE A 89 -7.173 0.115 3.105 1.00 0.00 H new ATOM 0 HA PHE A 89 -4.567 0.889 3.653 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -4.389 -0.089 1.117 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -4.905 1.543 0.740 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -2.823 0.509 3.679 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -2.896 2.464 -0.149 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -0.513 1.332 4.051 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -0.592 3.293 0.232 1.00 0.00 H new ATOM 0 HZ PHE A 89 0.601 2.722 2.327 1.00 0.00 H new ATOM 224 N ARG A 90 -7.274 2.245 2.446 1.00 0.00 N ATOM 225 CA ARG A 90 -8.109 3.465 2.464 1.00 0.00 C ATOM 226 C ARG A 90 -8.515 3.758 3.902 1.00 0.00 C ATOM 227 O ARG A 90 -9.012 4.820 4.216 1.00 0.00 O ATOM 228 CB ARG A 90 -9.337 3.258 1.560 1.00 0.00 C ATOM 229 CG ARG A 90 -10.571 2.840 2.365 1.00 0.00 C ATOM 230 CD ARG A 90 -10.288 1.568 3.157 1.00 0.00 C ATOM 231 NE ARG A 90 -11.213 0.506 2.676 1.00 0.00 N ATOM 232 CZ ARG A 90 -11.571 -0.467 3.471 1.00 0.00 C ATOM 233 NH1 ARG A 90 -10.772 -0.865 4.422 1.00 0.00 N ATOM 234 NH2 ARG A 90 -12.732 -1.041 3.315 1.00 0.00 N ATOM 0 H ARG A 90 -7.745 1.407 2.104 1.00 0.00 H new ATOM 0 HA ARG A 90 -7.552 4.320 2.080 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -9.551 4.180 1.020 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -9.115 2.496 0.813 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -10.858 3.642 3.045 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -11.413 2.677 1.692 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -9.251 1.259 3.022 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -10.432 1.744 4.223 1.00 0.00 H new ATOM 0 HE ARG A 90 -11.569 0.538 1.721 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -9.865 -0.416 4.547 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -11.055 -1.625 5.041 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -13.359 -0.730 2.573 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -13.013 -1.801 3.935 1.00 0.00 H new ATOM 248 N VAL A 91 -8.280 2.829 4.782 1.00 0.00 N ATOM 249 CA VAL A 91 -8.624 3.058 6.202 1.00 0.00 C ATOM 250 C VAL A 91 -8.006 4.385 6.627 1.00 0.00 C ATOM 251 O VAL A 91 -8.439 5.024 7.565 1.00 0.00 O ATOM 252 CB VAL A 91 -8.039 1.930 7.046 1.00 0.00 C ATOM 253 CG1 VAL A 91 -8.432 2.128 8.509 1.00 0.00 C ATOM 254 CG2 VAL A 91 -8.580 0.595 6.538 1.00 0.00 C ATOM 0 H VAL A 91 -7.864 1.921 4.575 1.00 0.00 H new ATOM 0 HA VAL A 91 -9.705 3.083 6.338 1.00 0.00 H new ATOM 0 HB VAL A 91 -6.952 1.935 6.968 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -8.013 1.321 9.111 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -8.045 3.083 8.864 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -9.518 2.121 8.598 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -8.166 -0.217 7.136 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -9.667 0.588 6.619 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -8.293 0.459 5.495 1.00 0.00 H new ATOM 264 N PHE A 92 -6.982 4.790 5.931 1.00 0.00 N ATOM 265 CA PHE A 92 -6.299 6.062 6.258 1.00 0.00 C ATOM 266 C PHE A 92 -6.610 7.091 5.167 1.00 0.00 C ATOM 267 O PHE A 92 -7.205 8.119 5.421 1.00 0.00 O ATOM 268 CB PHE A 92 -4.801 5.790 6.316 1.00 0.00 C ATOM 269 CG PHE A 92 -4.543 4.749 7.376 1.00 0.00 C ATOM 270 CD1 PHE A 92 -4.556 3.380 7.055 1.00 0.00 C ATOM 271 CD2 PHE A 92 -4.293 5.156 8.690 1.00 0.00 C ATOM 272 CE1 PHE A 92 -4.314 2.428 8.056 1.00 0.00 C ATOM 273 CE2 PHE A 92 -4.054 4.203 9.687 1.00 0.00 C ATOM 274 CZ PHE A 92 -4.063 2.841 9.370 1.00 0.00 C ATOM 0 H PHE A 92 -6.587 4.283 5.139 1.00 0.00 H new ATOM 0 HA PHE A 92 -6.640 6.454 7.216 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -4.442 5.441 5.348 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -4.258 6.707 6.546 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -4.752 3.063 6.041 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -4.284 6.208 8.936 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -4.321 1.376 7.813 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -3.863 4.520 10.702 1.00 0.00 H new ATOM 0 HZ PHE A 92 -3.876 2.107 10.140 1.00 0.00 H new ATOM 284 N ASP A 93 -6.223 6.814 3.952 1.00 0.00 N ATOM 285 CA ASP A 93 -6.507 7.758 2.841 1.00 0.00 C ATOM 286 C ASP A 93 -7.822 7.355 2.173 1.00 0.00 C ATOM 287 O ASP A 93 -7.873 7.121 0.982 1.00 0.00 O ATOM 288 CB ASP A 93 -5.372 7.692 1.816 1.00 0.00 C ATOM 289 CG ASP A 93 -4.032 7.851 2.531 1.00 0.00 C ATOM 290 OD1 ASP A 93 -3.959 8.655 3.445 1.00 0.00 O ATOM 291 OD2 ASP A 93 -3.099 7.162 2.153 1.00 0.00 O ATOM 0 H ASP A 93 -5.720 5.969 3.682 1.00 0.00 H new ATOM 0 HA ASP A 93 -6.585 8.774 3.228 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -5.402 6.741 1.284 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -5.494 8.478 1.071 1.00 0.00 H new ATOM 337 N ASN A 97 -6.264 11.878 1.365 1.00 0.00 N ATOM 338 CA ASN A 97 -4.791 12.035 1.523 1.00 0.00 C ATOM 339 C ASN A 97 -4.086 11.568 0.249 1.00 0.00 C ATOM 340 O ASN A 97 -3.129 12.170 -0.200 1.00 0.00 O ATOM 341 CB ASN A 97 -4.309 11.191 2.705 1.00 0.00 C ATOM 342 CG ASN A 97 -4.214 12.068 3.955 1.00 0.00 C ATOM 343 OD1 ASN A 97 -4.904 11.836 4.927 1.00 0.00 O ATOM 344 ND2 ASN A 97 -3.382 13.073 3.970 1.00 0.00 N ATOM 0 HA ASN A 97 -4.559 13.084 1.705 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -4.998 10.364 2.880 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -3.336 10.754 2.480 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -3.311 13.664 4.798 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -2.803 13.268 3.153 1.00 0.00 H new ATOM 351 N GLY A 98 -4.541 10.493 -0.331 1.00 0.00 N ATOM 352 CA GLY A 98 -3.890 9.980 -1.566 1.00 0.00 C ATOM 353 C GLY A 98 -2.797 8.996 -1.164 1.00 0.00 C ATOM 354 O GLY A 98 -2.706 7.900 -1.682 1.00 0.00 O ATOM 0 H GLY A 98 -5.337 9.947 -0.002 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -4.624 9.490 -2.206 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -3.466 10.803 -2.141 1.00 0.00 H new ATOM 358 N TYR A 99 -1.965 9.380 -0.235 1.00 0.00 N ATOM 359 CA TYR A 99 -0.879 8.475 0.213 1.00 0.00 C ATOM 360 C TYR A 99 -0.885 8.382 1.736 1.00 0.00 C ATOM 361 O TYR A 99 -1.538 9.150 2.413 1.00 0.00 O ATOM 362 CB TYR A 99 0.461 9.034 -0.251 1.00 0.00 C ATOM 363 CG TYR A 99 0.793 10.273 0.549 1.00 0.00 C ATOM 364 CD1 TYR A 99 0.177 11.493 0.240 1.00 0.00 C ATOM 365 CD2 TYR A 99 1.714 10.202 1.602 1.00 0.00 C ATOM 366 CE1 TYR A 99 0.483 12.640 0.982 1.00 0.00 C ATOM 367 CE2 TYR A 99 2.020 11.350 2.344 1.00 0.00 C ATOM 368 CZ TYR A 99 1.404 12.568 2.034 1.00 0.00 C ATOM 369 OH TYR A 99 1.706 13.699 2.765 1.00 0.00 O ATOM 0 H TYR A 99 -1.994 10.286 0.232 1.00 0.00 H new ATOM 0 HA TYR A 99 -1.034 7.483 -0.211 1.00 0.00 H new ATOM 0 HB2 TYR A 99 1.243 8.286 -0.124 1.00 0.00 H new ATOM 0 HB3 TYR A 99 0.419 9.274 -1.313 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -0.534 11.548 -0.571 1.00 0.00 H new ATOM 0 HD2 TYR A 99 2.188 9.262 1.842 1.00 0.00 H new ATOM 0 HE1 TYR A 99 0.009 13.580 0.743 1.00 0.00 H new ATOM 0 HE2 TYR A 99 2.731 11.295 3.155 1.00 0.00 H new ATOM 0 HH TYR A 99 2.362 13.475 3.458 1.00 0.00 H new ATOM 379 N ILE A 100 -0.157 7.451 2.279 1.00 0.00 N ATOM 380 CA ILE A 100 -0.116 7.315 3.758 1.00 0.00 C ATOM 381 C ILE A 100 1.335 7.209 4.223 1.00 0.00 C ATOM 382 O ILE A 100 2.255 7.203 3.431 1.00 0.00 O ATOM 383 CB ILE A 100 -0.884 6.066 4.206 1.00 0.00 C ATOM 384 CG1 ILE A 100 -1.199 5.152 3.009 1.00 0.00 C ATOM 385 CG2 ILE A 100 -2.188 6.501 4.879 1.00 0.00 C ATOM 386 CD1 ILE A 100 -2.259 4.132 3.417 1.00 0.00 C ATOM 0 H ILE A 100 0.411 6.779 1.763 1.00 0.00 H new ATOM 0 HA ILE A 100 -0.584 8.194 4.201 1.00 0.00 H new ATOM 0 HB ILE A 100 -0.266 5.505 4.907 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -1.555 5.746 2.167 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -0.294 4.641 2.679 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -2.742 5.620 5.202 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -1.961 7.124 5.744 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -2.791 7.070 4.171 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -2.484 3.483 2.571 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -1.885 3.531 4.246 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -3.165 4.653 3.726 1.00 0.00 H new ATOM 398 N SER A 101 1.543 7.130 5.508 1.00 0.00 N ATOM 399 CA SER A 101 2.930 7.029 6.039 1.00 0.00 C ATOM 400 C SER A 101 3.330 5.559 6.157 1.00 0.00 C ATOM 401 O SER A 101 2.561 4.669 5.853 1.00 0.00 O ATOM 402 CB SER A 101 2.984 7.673 7.421 1.00 0.00 C ATOM 403 OG SER A 101 4.330 7.691 7.880 1.00 0.00 O ATOM 0 H SER A 101 0.808 7.131 6.216 1.00 0.00 H new ATOM 0 HA SER A 101 3.616 7.539 5.362 1.00 0.00 H new ATOM 0 HB2 SER A 101 2.589 8.688 7.377 1.00 0.00 H new ATOM 0 HB3 SER A 101 2.357 7.117 8.118 1.00 0.00 H new ATOM 0 HG SER A 101 4.926 7.926 7.138 1.00 0.00 H new ATOM 409 N ALA A 102 4.525 5.297 6.610 1.00 0.00 N ATOM 410 CA ALA A 102 4.969 3.884 6.761 1.00 0.00 C ATOM 411 C ALA A 102 4.113 3.210 7.832 1.00 0.00 C ATOM 412 O ALA A 102 3.559 2.152 7.620 1.00 0.00 O ATOM 413 CB ALA A 102 6.439 3.852 7.183 1.00 0.00 C ATOM 0 H ALA A 102 5.212 6.000 6.882 1.00 0.00 H new ATOM 0 HA ALA A 102 4.858 3.357 5.813 1.00 0.00 H new ATOM 0 HB1 ALA A 102 6.763 2.817 7.293 1.00 0.00 H new ATOM 0 HB2 ALA A 102 7.046 4.344 6.423 1.00 0.00 H new ATOM 0 HB3 ALA A 102 6.556 4.372 8.134 1.00 0.00 H new ATOM 419 N ALA A 103 3.992 3.819 8.979 1.00 0.00 N ATOM 420 CA ALA A 103 3.163 3.213 10.056 1.00 0.00 C ATOM 421 C ALA A 103 1.798 2.836 9.485 1.00 0.00 C ATOM 422 O ALA A 103 1.153 1.913 9.942 1.00 0.00 O ATOM 423 CB ALA A 103 2.984 4.219 11.195 1.00 0.00 C ATOM 0 H ALA A 103 4.431 4.709 9.216 1.00 0.00 H new ATOM 0 HA ALA A 103 3.658 2.321 10.441 1.00 0.00 H new ATOM 0 HB1 ALA A 103 2.377 3.773 11.982 1.00 0.00 H new ATOM 0 HB2 ALA A 103 3.960 4.489 11.599 1.00 0.00 H new ATOM 0 HB3 ALA A 103 2.488 5.113 10.816 1.00 0.00 H new ATOM 429 N GLU A 104 1.354 3.539 8.479 1.00 0.00 N ATOM 430 CA GLU A 104 0.037 3.213 7.871 1.00 0.00 C ATOM 431 C GLU A 104 0.152 1.876 7.138 1.00 0.00 C ATOM 432 O GLU A 104 -0.710 1.024 7.230 1.00 0.00 O ATOM 433 CB GLU A 104 -0.351 4.313 6.880 1.00 0.00 C ATOM 434 CG GLU A 104 -1.130 5.409 7.613 1.00 0.00 C ATOM 435 CD GLU A 104 -0.404 5.776 8.911 1.00 0.00 C ATOM 436 OE1 GLU A 104 -0.429 4.971 9.827 1.00 0.00 O ATOM 437 OE2 GLU A 104 0.161 6.855 8.965 1.00 0.00 O ATOM 0 H GLU A 104 1.847 4.324 8.054 1.00 0.00 H new ATOM 0 HA GLU A 104 -0.727 3.144 8.646 1.00 0.00 H new ATOM 0 HB2 GLU A 104 0.543 4.734 6.419 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -0.958 3.896 6.077 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -1.225 6.289 6.977 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -2.140 5.065 7.834 1.00 0.00 H new ATOM 444 N LEU A 105 1.220 1.689 6.414 1.00 0.00 N ATOM 445 CA LEU A 105 1.414 0.413 5.673 1.00 0.00 C ATOM 446 C LEU A 105 1.603 -0.741 6.660 1.00 0.00 C ATOM 447 O LEU A 105 0.876 -1.708 6.634 1.00 0.00 O ATOM 448 CB LEU A 105 2.651 0.542 4.793 1.00 0.00 C ATOM 449 CG LEU A 105 2.263 0.232 3.352 1.00 0.00 C ATOM 450 CD1 LEU A 105 2.552 1.447 2.471 1.00 0.00 C ATOM 451 CD2 LEU A 105 3.078 -0.973 2.865 1.00 0.00 C ATOM 0 H LEU A 105 1.971 2.370 6.304 1.00 0.00 H new ATOM 0 HA LEU A 105 0.538 0.208 5.058 1.00 0.00 H new ATOM 0 HB2 LEU A 105 3.062 1.549 4.865 1.00 0.00 H new ATOM 0 HB3 LEU A 105 3.428 -0.144 5.131 1.00 0.00 H new ATOM 0 HG LEU A 105 1.200 -0.000 3.296 1.00 0.00 H new ATOM 0 HD11 LEU A 105 2.274 1.224 1.441 1.00 0.00 H new ATOM 0 HD12 LEU A 105 1.974 2.300 2.826 1.00 0.00 H new ATOM 0 HD13 LEU A 105 3.615 1.685 2.517 1.00 0.00 H new ATOM 0 HD21 LEU A 105 2.807 -1.203 1.834 1.00 0.00 H new ATOM 0 HD22 LEU A 105 4.141 -0.738 2.917 1.00 0.00 H new ATOM 0 HD23 LEU A 105 2.865 -1.835 3.497 1.00 0.00 H new ATOM 463 N ARG A 106 2.573 -0.664 7.528 1.00 0.00 N ATOM 464 CA ARG A 106 2.782 -1.780 8.492 1.00 0.00 C ATOM 465 C ARG A 106 1.440 -2.236 9.065 1.00 0.00 C ATOM 466 O ARG A 106 1.201 -3.410 9.251 1.00 0.00 O ATOM 467 CB ARG A 106 3.680 -1.312 9.635 1.00 0.00 C ATOM 468 CG ARG A 106 3.144 -0.008 10.221 1.00 0.00 C ATOM 469 CD ARG A 106 2.108 -0.320 11.302 1.00 0.00 C ATOM 470 NE ARG A 106 2.564 0.242 12.604 1.00 0.00 N ATOM 471 CZ ARG A 106 1.816 0.118 13.666 1.00 0.00 C ATOM 472 NH1 ARG A 106 1.455 -1.067 14.075 1.00 0.00 N ATOM 473 NH2 ARG A 106 1.428 1.180 14.319 1.00 0.00 N ATOM 0 H ARG A 106 3.225 0.116 7.612 1.00 0.00 H new ATOM 0 HA ARG A 106 3.254 -2.612 7.969 1.00 0.00 H new ATOM 0 HB2 ARG A 106 3.724 -2.077 10.410 1.00 0.00 H new ATOM 0 HB3 ARG A 106 4.698 -1.166 9.272 1.00 0.00 H new ATOM 0 HG2 ARG A 106 3.962 0.576 10.644 1.00 0.00 H new ATOM 0 HG3 ARG A 106 2.693 0.598 9.435 1.00 0.00 H new ATOM 0 HD2 ARG A 106 1.142 0.105 11.029 1.00 0.00 H new ATOM 0 HD3 ARG A 106 1.969 -1.398 11.388 1.00 0.00 H new ATOM 0 HE ARG A 106 3.461 0.724 12.665 1.00 0.00 H new ATOM 0 HH11 ARG A 106 1.757 -1.897 13.565 1.00 0.00 H new ATOM 0 HH12 ARG A 106 0.870 -1.164 14.905 1.00 0.00 H new ATOM 0 HH21 ARG A 106 1.710 2.107 13.999 1.00 0.00 H new ATOM 0 HH22 ARG A 106 0.843 1.083 15.149 1.00 0.00 H new ATOM 487 N HIS A 107 0.575 -1.315 9.361 1.00 0.00 N ATOM 488 CA HIS A 107 -0.750 -1.685 9.944 1.00 0.00 C ATOM 489 C HIS A 107 -1.701 -2.223 8.865 1.00 0.00 C ATOM 490 O HIS A 107 -2.546 -3.047 9.138 1.00 0.00 O ATOM 491 CB HIS A 107 -1.385 -0.447 10.580 1.00 0.00 C ATOM 492 CG HIS A 107 -2.636 -0.847 11.311 1.00 0.00 C ATOM 493 ND1 HIS A 107 -3.805 -1.427 10.881 1.00 0.00 N flip ATOM 494 CD2 HIS A 107 -2.787 -0.659 12.676 1.00 0.00 C flip ATOM 495 CE1 HIS A 107 -4.667 -1.597 11.960 1.00 0.00 C flip ATOM 496 NE2 HIS A 107 -4.005 -1.117 13.016 1.00 0.00 N flip ATOM 0 H HIS A 107 0.723 -0.315 9.226 1.00 0.00 H new ATOM 0 HA HIS A 107 -0.587 -2.463 10.690 1.00 0.00 H new ATOM 0 HB2 HIS A 107 -0.683 0.022 11.269 1.00 0.00 H new ATOM 0 HB3 HIS A 107 -1.619 0.290 9.812 1.00 0.00 H new ATOM 0 HD1 HIS A 107 -4.010 -1.692 9.918 1.00 0.00 H new ATOM 0 HD2 HIS A 107 -2.059 -0.224 13.345 1.00 0.00 H new ATOM 0 HE1 HIS A 107 -5.658 -2.025 11.946 1.00 0.00 H new ATOM 504 N VAL A 108 -1.598 -1.743 7.657 1.00 0.00 N ATOM 505 CA VAL A 108 -2.534 -2.209 6.587 1.00 0.00 C ATOM 506 C VAL A 108 -2.028 -3.484 5.916 1.00 0.00 C ATOM 507 O VAL A 108 -2.707 -4.488 5.889 1.00 0.00 O ATOM 508 CB VAL A 108 -2.669 -1.119 5.530 1.00 0.00 C ATOM 509 CG1 VAL A 108 -3.681 -1.565 4.480 1.00 0.00 C ATOM 510 CG2 VAL A 108 -3.150 0.175 6.189 1.00 0.00 C ATOM 0 H VAL A 108 -0.910 -1.050 7.362 1.00 0.00 H new ATOM 0 HA VAL A 108 -3.497 -2.422 7.050 1.00 0.00 H new ATOM 0 HB VAL A 108 -1.703 -0.943 5.057 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -3.783 -0.790 3.720 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -3.338 -2.488 4.013 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -4.647 -1.736 4.955 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -3.246 0.954 5.433 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -4.118 0.005 6.661 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -2.429 0.489 6.944 1.00 0.00 H new ATOM 520 N MET A 109 -0.861 -3.450 5.349 1.00 0.00 N ATOM 521 CA MET A 109 -0.333 -4.657 4.661 1.00 0.00 C ATOM 522 C MET A 109 -0.110 -5.788 5.669 1.00 0.00 C ATOM 523 O MET A 109 0.237 -6.891 5.303 1.00 0.00 O ATOM 524 CB MET A 109 0.994 -4.315 3.987 1.00 0.00 C ATOM 525 CG MET A 109 0.875 -4.572 2.486 1.00 0.00 C ATOM 526 SD MET A 109 2.369 -3.983 1.660 1.00 0.00 S ATOM 527 CE MET A 109 3.564 -4.717 2.803 1.00 0.00 C ATOM 0 H MET A 109 -0.246 -2.636 5.331 1.00 0.00 H new ATOM 0 HA MET A 109 -1.057 -4.984 3.915 1.00 0.00 H new ATOM 0 HB2 MET A 109 1.251 -3.272 4.170 1.00 0.00 H new ATOM 0 HB3 MET A 109 1.797 -4.920 4.409 1.00 0.00 H new ATOM 0 HG2 MET A 109 0.737 -5.637 2.297 1.00 0.00 H new ATOM 0 HG3 MET A 109 -0.001 -4.061 2.086 1.00 0.00 H new ATOM 0 HE1 MET A 109 4.532 -4.806 2.310 1.00 0.00 H new ATOM 0 HE2 MET A 109 3.663 -4.082 3.683 1.00 0.00 H new ATOM 0 HE3 MET A 109 3.218 -5.706 3.105 1.00 0.00 H new ATOM 537 N THR A 110 -0.288 -5.523 6.933 1.00 0.00 N ATOM 538 CA THR A 110 -0.070 -6.585 7.951 1.00 0.00 C ATOM 539 C THR A 110 -1.392 -7.297 8.270 1.00 0.00 C ATOM 540 O THR A 110 -1.406 -8.326 8.916 1.00 0.00 O ATOM 541 CB THR A 110 0.490 -5.945 9.222 1.00 0.00 C ATOM 542 OG1 THR A 110 1.862 -5.630 9.026 1.00 0.00 O ATOM 543 CG2 THR A 110 0.350 -6.915 10.387 1.00 0.00 C ATOM 0 H THR A 110 -0.575 -4.617 7.304 1.00 0.00 H new ATOM 0 HA THR A 110 0.635 -7.320 7.562 1.00 0.00 H new ATOM 0 HB THR A 110 -0.064 -5.033 9.445 1.00 0.00 H new ATOM 0 HG1 THR A 110 1.954 -4.673 8.836 1.00 0.00 H new ATOM 0 HG21 THR A 110 0.750 -6.457 11.292 1.00 0.00 H new ATOM 0 HG22 THR A 110 -0.703 -7.155 10.536 1.00 0.00 H new ATOM 0 HG23 THR A 110 0.903 -7.829 10.168 1.00 0.00 H new ATOM 551 N ASN A 111 -2.500 -6.767 7.831 1.00 0.00 N ATOM 552 CA ASN A 111 -3.800 -7.437 8.125 1.00 0.00 C ATOM 553 C ASN A 111 -4.476 -7.844 6.816 1.00 0.00 C ATOM 554 O ASN A 111 -5.043 -8.914 6.715 1.00 0.00 O ATOM 555 CB ASN A 111 -4.717 -6.501 8.926 1.00 0.00 C ATOM 556 CG ASN A 111 -4.981 -5.208 8.150 1.00 0.00 C ATOM 557 OD1 ASN A 111 -5.465 -5.236 7.037 1.00 0.00 O ATOM 558 ND2 ASN A 111 -4.698 -4.064 8.708 1.00 0.00 N ATOM 0 H ASN A 111 -2.563 -5.907 7.286 1.00 0.00 H new ATOM 0 HA ASN A 111 -3.611 -8.328 8.723 1.00 0.00 H new ATOM 0 HB2 ASN A 111 -5.661 -7.003 9.138 1.00 0.00 H new ATOM 0 HB3 ASN A 111 -4.257 -6.267 9.886 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -4.883 -3.194 8.209 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -4.291 -4.039 9.643 1.00 0.00 H new ATOM 565 N LEU A 112 -4.426 -7.014 5.809 1.00 0.00 N ATOM 566 CA LEU A 112 -5.069 -7.393 4.523 1.00 0.00 C ATOM 567 C LEU A 112 -4.574 -8.774 4.086 1.00 0.00 C ATOM 568 O LEU A 112 -3.837 -9.430 4.795 1.00 0.00 O ATOM 569 CB LEU A 112 -4.784 -6.340 3.431 1.00 0.00 C ATOM 570 CG LEU A 112 -3.279 -6.012 3.248 1.00 0.00 C ATOM 571 CD1 LEU A 112 -2.354 -6.978 4.008 1.00 0.00 C ATOM 572 CD2 LEU A 112 -2.949 -6.089 1.757 1.00 0.00 C ATOM 0 H LEU A 112 -3.973 -6.100 5.822 1.00 0.00 H new ATOM 0 HA LEU A 112 -6.148 -7.433 4.670 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -5.185 -6.697 2.483 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -5.318 -5.422 3.678 1.00 0.00 H new ATOM 0 HG LEU A 112 -3.108 -5.015 3.655 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -1.315 -6.695 3.839 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -2.575 -6.930 5.074 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -2.516 -7.995 3.649 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -1.894 -5.861 1.606 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -3.160 -7.093 1.389 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -3.558 -5.367 1.212 1.00 0.00 H new ATOM 584 N GLY A 113 -4.974 -9.228 2.932 1.00 0.00 N ATOM 585 CA GLY A 113 -4.527 -10.572 2.462 1.00 0.00 C ATOM 586 C GLY A 113 -3.003 -10.691 2.579 1.00 0.00 C ATOM 587 O GLY A 113 -2.476 -11.735 2.908 1.00 0.00 O ATOM 0 H GLY A 113 -5.591 -8.728 2.292 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -5.007 -11.351 3.054 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -4.833 -10.724 1.427 1.00 0.00 H new ATOM 591 N GLU A 114 -2.290 -9.634 2.301 1.00 0.00 N ATOM 592 CA GLU A 114 -0.800 -9.688 2.382 1.00 0.00 C ATOM 593 C GLU A 114 -0.353 -10.262 3.728 1.00 0.00 C ATOM 594 O GLU A 114 0.095 -11.389 3.812 1.00 0.00 O ATOM 595 CB GLU A 114 -0.229 -8.279 2.232 1.00 0.00 C ATOM 596 CG GLU A 114 0.619 -8.208 0.962 1.00 0.00 C ATOM 597 CD GLU A 114 2.063 -8.594 1.289 1.00 0.00 C ATOM 598 OE1 GLU A 114 2.727 -7.816 1.953 1.00 0.00 O ATOM 599 OE2 GLU A 114 2.480 -9.661 0.869 1.00 0.00 O ATOM 0 H GLU A 114 -2.675 -8.732 2.020 1.00 0.00 H new ATOM 0 HA GLU A 114 -0.434 -10.330 1.581 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -1.038 -7.550 2.184 1.00 0.00 H new ATOM 0 HB3 GLU A 114 0.377 -8.026 3.102 1.00 0.00 H new ATOM 0 HG2 GLU A 114 0.215 -8.879 0.204 1.00 0.00 H new ATOM 0 HG3 GLU A 114 0.586 -7.201 0.546 1.00 0.00 H new ATOM 606 N LYS A 115 -0.448 -9.493 4.780 1.00 0.00 N ATOM 607 CA LYS A 115 -0.001 -9.998 6.107 1.00 0.00 C ATOM 608 C LYS A 115 1.528 -10.109 6.103 1.00 0.00 C ATOM 609 O LYS A 115 2.101 -10.831 5.313 1.00 0.00 O ATOM 610 CB LYS A 115 -0.614 -11.378 6.361 1.00 0.00 C ATOM 611 CG LYS A 115 -1.257 -11.402 7.749 1.00 0.00 C ATOM 612 CD LYS A 115 -2.391 -12.429 7.770 1.00 0.00 C ATOM 613 CE LYS A 115 -2.961 -12.531 9.187 1.00 0.00 C ATOM 614 NZ LYS A 115 -4.446 -12.634 9.121 1.00 0.00 N ATOM 0 H LYS A 115 -0.814 -8.541 4.776 1.00 0.00 H new ATOM 0 HA LYS A 115 -0.321 -9.314 6.893 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -1.360 -11.602 5.599 1.00 0.00 H new ATOM 0 HB3 LYS A 115 0.155 -12.148 6.291 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -0.511 -11.653 8.503 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -1.643 -10.414 8.000 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -3.175 -12.136 7.072 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -2.021 -13.401 7.444 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -2.548 -13.403 9.694 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -2.672 -11.656 9.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -4.832 -12.703 10.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -4.832 -11.789 8.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -4.711 -13.481 8.580 1.00 0.00 H new ATOM 628 N LEU A 116 2.195 -9.398 6.974 1.00 0.00 N ATOM 629 CA LEU A 116 3.672 -9.462 7.014 1.00 0.00 C ATOM 630 C LEU A 116 4.163 -8.588 8.169 1.00 0.00 C ATOM 631 O LEU A 116 3.826 -7.427 8.280 1.00 0.00 O ATOM 632 CB LEU A 116 4.251 -8.968 5.682 1.00 0.00 C ATOM 633 CG LEU A 116 4.296 -7.443 5.672 1.00 0.00 C ATOM 634 CD1 LEU A 116 4.942 -6.959 4.374 1.00 0.00 C ATOM 635 CD2 LEU A 116 2.871 -6.898 5.779 1.00 0.00 C ATOM 0 H LEU A 116 1.771 -8.774 7.660 1.00 0.00 H new ATOM 0 HA LEU A 116 4.001 -10.490 7.168 1.00 0.00 H new ATOM 0 HB2 LEU A 116 5.253 -9.371 5.539 1.00 0.00 H new ATOM 0 HB3 LEU A 116 3.641 -9.328 4.854 1.00 0.00 H new ATOM 0 HG LEU A 116 4.885 -7.086 6.517 1.00 0.00 H new ATOM 0 HD11 LEU A 116 4.974 -5.869 4.368 1.00 0.00 H new ATOM 0 HD12 LEU A 116 5.956 -7.352 4.304 1.00 0.00 H new ATOM 0 HD13 LEU A 116 4.357 -7.310 3.524 1.00 0.00 H new ATOM 0 HD21 LEU A 116 2.897 -5.808 5.772 1.00 0.00 H new ATOM 0 HD22 LEU A 116 2.282 -7.252 4.933 1.00 0.00 H new ATOM 0 HD23 LEU A 116 2.418 -7.245 6.708 1.00 0.00 H new ATOM 647 N THR A 117 4.936 -9.162 9.030 1.00 0.00 N ATOM 648 CA THR A 117 5.470 -8.421 10.215 1.00 0.00 C ATOM 649 C THR A 117 5.798 -6.971 9.845 1.00 0.00 C ATOM 650 O THR A 117 5.959 -6.628 8.691 1.00 0.00 O ATOM 651 CB THR A 117 6.739 -9.113 10.721 1.00 0.00 C ATOM 652 OG1 THR A 117 6.803 -10.432 10.197 1.00 0.00 O ATOM 653 CG2 THR A 117 6.716 -9.171 12.249 1.00 0.00 C ATOM 0 H THR A 117 5.233 -10.136 8.971 1.00 0.00 H new ATOM 0 HA THR A 117 4.709 -8.420 10.995 1.00 0.00 H new ATOM 0 HB THR A 117 7.613 -8.550 10.393 1.00 0.00 H new ATOM 0 HG1 THR A 117 7.616 -10.873 10.520 1.00 0.00 H new ATOM 0 HG21 THR A 117 7.620 -9.664 12.608 1.00 0.00 H new ATOM 0 HG22 THR A 117 6.670 -8.159 12.651 1.00 0.00 H new ATOM 0 HG23 THR A 117 5.841 -9.732 12.579 1.00 0.00 H new ATOM 661 N ASP A 118 5.892 -6.118 10.831 1.00 0.00 N ATOM 662 CA ASP A 118 6.199 -4.683 10.572 1.00 0.00 C ATOM 663 C ASP A 118 7.600 -4.532 9.975 1.00 0.00 C ATOM 664 O ASP A 118 7.910 -3.534 9.354 1.00 0.00 O ATOM 665 CB ASP A 118 6.132 -3.917 11.894 1.00 0.00 C ATOM 666 CG ASP A 118 6.540 -2.461 11.663 1.00 0.00 C ATOM 667 OD1 ASP A 118 5.855 -1.786 10.913 1.00 0.00 O ATOM 668 OD2 ASP A 118 7.530 -2.045 12.242 1.00 0.00 O ATOM 0 H ASP A 118 5.768 -6.358 11.814 1.00 0.00 H new ATOM 0 HA ASP A 118 5.472 -4.286 9.864 1.00 0.00 H new ATOM 0 HB2 ASP A 118 5.122 -3.962 12.302 1.00 0.00 H new ATOM 0 HB3 ASP A 118 6.793 -4.379 12.628 1.00 0.00 H new ATOM 673 N GLU A 119 8.453 -5.499 10.160 1.00 0.00 N ATOM 674 CA GLU A 119 9.829 -5.385 9.601 1.00 0.00 C ATOM 675 C GLU A 119 9.820 -5.798 8.129 1.00 0.00 C ATOM 676 O GLU A 119 10.658 -5.383 7.352 1.00 0.00 O ATOM 677 CB GLU A 119 10.780 -6.295 10.385 1.00 0.00 C ATOM 678 CG GLU A 119 11.023 -5.704 11.775 1.00 0.00 C ATOM 679 CD GLU A 119 12.359 -4.958 11.788 1.00 0.00 C ATOM 680 OE1 GLU A 119 12.385 -3.823 11.342 1.00 0.00 O ATOM 681 OE2 GLU A 119 13.333 -5.534 12.245 1.00 0.00 O ATOM 0 H GLU A 119 8.259 -6.360 10.672 1.00 0.00 H new ATOM 0 HA GLU A 119 10.168 -4.352 9.684 1.00 0.00 H new ATOM 0 HB2 GLU A 119 10.354 -7.294 10.473 1.00 0.00 H new ATOM 0 HB3 GLU A 119 11.725 -6.397 9.851 1.00 0.00 H new ATOM 0 HG2 GLU A 119 10.213 -5.024 12.039 1.00 0.00 H new ATOM 0 HG3 GLU A 119 11.030 -6.497 12.523 1.00 0.00 H new ATOM 688 N GLU A 120 8.877 -6.609 7.737 1.00 0.00 N ATOM 689 CA GLU A 120 8.812 -7.043 6.313 1.00 0.00 C ATOM 690 C GLU A 120 8.081 -5.976 5.496 1.00 0.00 C ATOM 691 O GLU A 120 8.263 -5.860 4.301 1.00 0.00 O ATOM 692 CB GLU A 120 8.050 -8.367 6.223 1.00 0.00 C ATOM 693 CG GLU A 120 8.519 -9.301 7.339 1.00 0.00 C ATOM 694 CD GLU A 120 8.566 -10.738 6.819 1.00 0.00 C ATOM 695 OE1 GLU A 120 9.588 -11.115 6.269 1.00 0.00 O ATOM 696 OE2 GLU A 120 7.580 -11.439 6.979 1.00 0.00 O ATOM 0 H GLU A 120 8.149 -6.990 8.341 1.00 0.00 H new ATOM 0 HA GLU A 120 9.820 -7.177 5.921 1.00 0.00 H new ATOM 0 HB2 GLU A 120 6.978 -8.189 6.310 1.00 0.00 H new ATOM 0 HB3 GLU A 120 8.219 -8.831 5.251 1.00 0.00 H new ATOM 0 HG2 GLU A 120 9.505 -8.998 7.690 1.00 0.00 H new ATOM 0 HG3 GLU A 120 7.843 -9.234 8.191 1.00 0.00 H new ATOM 703 N VAL A 121 7.253 -5.199 6.136 1.00 0.00 N ATOM 704 CA VAL A 121 6.502 -4.137 5.404 1.00 0.00 C ATOM 705 C VAL A 121 7.305 -2.834 5.411 1.00 0.00 C ATOM 706 O VAL A 121 7.425 -2.166 4.404 1.00 0.00 O ATOM 707 CB VAL A 121 5.144 -3.911 6.078 1.00 0.00 C ATOM 708 CG1 VAL A 121 5.335 -3.549 7.553 1.00 0.00 C ATOM 709 CG2 VAL A 121 4.406 -2.776 5.374 1.00 0.00 C ATOM 0 H VAL A 121 7.062 -5.252 7.137 1.00 0.00 H new ATOM 0 HA VAL A 121 6.346 -4.454 4.373 1.00 0.00 H new ATOM 0 HB VAL A 121 4.562 -4.830 6.009 1.00 0.00 H new ATOM 0 HG11 VAL A 121 4.362 -3.392 8.018 1.00 0.00 H new ATOM 0 HG12 VAL A 121 5.854 -4.361 8.063 1.00 0.00 H new ATOM 0 HG13 VAL A 121 5.926 -2.636 7.630 1.00 0.00 H new ATOM 0 HG21 VAL A 121 3.441 -2.617 5.854 1.00 0.00 H new ATOM 0 HG22 VAL A 121 4.998 -1.863 5.437 1.00 0.00 H new ATOM 0 HG23 VAL A 121 4.252 -3.037 4.327 1.00 0.00 H new ATOM 719 N ASP A 122 7.855 -2.470 6.534 1.00 0.00 N ATOM 720 CA ASP A 122 8.649 -1.210 6.603 1.00 0.00 C ATOM 721 C ASP A 122 9.849 -1.307 5.658 1.00 0.00 C ATOM 722 O ASP A 122 10.097 -0.422 4.863 1.00 0.00 O ATOM 723 CB ASP A 122 9.146 -0.999 8.034 1.00 0.00 C ATOM 724 CG ASP A 122 8.887 0.447 8.458 1.00 0.00 C ATOM 725 OD1 ASP A 122 9.438 1.336 7.831 1.00 0.00 O ATOM 726 OD2 ASP A 122 8.142 0.640 9.405 1.00 0.00 O ATOM 0 H ASP A 122 7.790 -2.990 7.409 1.00 0.00 H new ATOM 0 HA ASP A 122 8.021 -0.370 6.307 1.00 0.00 H new ATOM 0 HB2 ASP A 122 8.637 -1.684 8.712 1.00 0.00 H new ATOM 0 HB3 ASP A 122 10.211 -1.222 8.097 1.00 0.00 H new ATOM 731 N GLU A 123 10.597 -2.372 5.741 1.00 0.00 N ATOM 732 CA GLU A 123 11.783 -2.519 4.851 1.00 0.00 C ATOM 733 C GLU A 123 11.323 -2.655 3.398 1.00 0.00 C ATOM 734 O GLU A 123 11.974 -2.186 2.485 1.00 0.00 O ATOM 735 CB GLU A 123 12.572 -3.765 5.256 1.00 0.00 C ATOM 736 CG GLU A 123 13.833 -3.344 6.013 1.00 0.00 C ATOM 737 CD GLU A 123 14.989 -4.274 5.638 1.00 0.00 C ATOM 738 OE1 GLU A 123 14.967 -4.802 4.539 1.00 0.00 O ATOM 739 OE2 GLU A 123 15.877 -4.441 6.458 1.00 0.00 O ATOM 0 H GLU A 123 10.439 -3.146 6.386 1.00 0.00 H new ATOM 0 HA GLU A 123 12.418 -1.638 4.947 1.00 0.00 H new ATOM 0 HB2 GLU A 123 11.957 -4.411 5.883 1.00 0.00 H new ATOM 0 HB3 GLU A 123 12.841 -4.342 4.371 1.00 0.00 H new ATOM 0 HG2 GLU A 123 14.089 -2.313 5.770 1.00 0.00 H new ATOM 0 HG3 GLU A 123 13.655 -3.383 7.088 1.00 0.00 H new ATOM 746 N MET A 124 10.205 -3.292 3.174 1.00 0.00 N ATOM 747 CA MET A 124 9.707 -3.456 1.779 1.00 0.00 C ATOM 748 C MET A 124 9.137 -2.125 1.286 1.00 0.00 C ATOM 749 O MET A 124 8.962 -1.916 0.105 1.00 0.00 O ATOM 750 CB MET A 124 8.608 -4.521 1.751 1.00 0.00 C ATOM 751 CG MET A 124 8.387 -4.995 0.313 1.00 0.00 C ATOM 752 SD MET A 124 7.971 -6.757 0.317 1.00 0.00 S ATOM 753 CE MET A 124 9.547 -7.363 0.969 1.00 0.00 C ATOM 0 H MET A 124 9.616 -3.705 3.897 1.00 0.00 H new ATOM 0 HA MET A 124 10.528 -3.765 1.132 1.00 0.00 H new ATOM 0 HB2 MET A 124 8.888 -5.364 2.383 1.00 0.00 H new ATOM 0 HB3 MET A 124 7.682 -4.113 2.156 1.00 0.00 H new ATOM 0 HG2 MET A 124 7.584 -4.422 -0.151 1.00 0.00 H new ATOM 0 HG3 MET A 124 9.285 -4.824 -0.280 1.00 0.00 H new ATOM 0 HE1 MET A 124 9.818 -8.289 0.463 1.00 0.00 H new ATOM 0 HE2 MET A 124 10.322 -6.616 0.799 1.00 0.00 H new ATOM 0 HE3 MET A 124 9.451 -7.549 2.039 1.00 0.00 H new ATOM 763 N ILE A 125 8.837 -1.229 2.185 1.00 0.00 N ATOM 764 CA ILE A 125 8.268 0.085 1.778 1.00 0.00 C ATOM 765 C ILE A 125 9.306 0.881 0.985 1.00 0.00 C ATOM 766 O ILE A 125 8.984 1.854 0.331 1.00 0.00 O ATOM 767 CB ILE A 125 7.821 0.831 3.049 1.00 0.00 C ATOM 768 CG1 ILE A 125 6.335 1.159 2.932 1.00 0.00 C ATOM 769 CG2 ILE A 125 8.618 2.125 3.275 1.00 0.00 C ATOM 770 CD1 ILE A 125 5.615 0.625 4.168 1.00 0.00 C ATOM 0 H ILE A 125 8.963 -1.352 3.190 1.00 0.00 H new ATOM 0 HA ILE A 125 7.404 -0.052 1.127 1.00 0.00 H new ATOM 0 HB ILE A 125 8.008 0.182 3.905 1.00 0.00 H new ATOM 0 HG12 ILE A 125 6.192 2.236 2.848 1.00 0.00 H new ATOM 0 HG13 ILE A 125 5.919 0.710 2.030 1.00 0.00 H new ATOM 0 HG21 ILE A 125 8.266 2.615 4.183 1.00 0.00 H new ATOM 0 HG22 ILE A 125 9.677 1.887 3.378 1.00 0.00 H new ATOM 0 HG23 ILE A 125 8.477 2.792 2.425 1.00 0.00 H new ATOM 0 HD11 ILE A 125 4.552 0.853 4.097 1.00 0.00 H new ATOM 0 HD12 ILE A 125 5.751 -0.455 4.230 1.00 0.00 H new ATOM 0 HD13 ILE A 125 6.028 1.095 5.061 1.00 0.00 H new ATOM 782 N ARG A 126 10.540 0.469 1.012 1.00 0.00 N ATOM 783 CA ARG A 126 11.570 1.202 0.228 1.00 0.00 C ATOM 784 C ARG A 126 11.298 0.977 -1.264 1.00 0.00 C ATOM 785 O ARG A 126 11.957 1.534 -2.119 1.00 0.00 O ATOM 786 CB ARG A 126 12.963 0.672 0.582 1.00 0.00 C ATOM 787 CG ARG A 126 13.086 0.515 2.100 1.00 0.00 C ATOM 788 CD ARG A 126 13.900 1.676 2.672 1.00 0.00 C ATOM 789 NE ARG A 126 13.589 1.832 4.121 1.00 0.00 N ATOM 790 CZ ARG A 126 13.482 3.024 4.641 1.00 0.00 C ATOM 791 NH1 ARG A 126 12.600 3.863 4.173 1.00 0.00 N ATOM 792 NH2 ARG A 126 14.259 3.378 5.628 1.00 0.00 N ATOM 0 H ARG A 126 10.879 -0.337 1.538 1.00 0.00 H new ATOM 0 HA ARG A 126 11.527 2.266 0.460 1.00 0.00 H new ATOM 0 HB2 ARG A 126 13.133 -0.287 0.093 1.00 0.00 H new ATOM 0 HB3 ARG A 126 13.727 1.357 0.215 1.00 0.00 H new ATOM 0 HG2 ARG A 126 12.096 0.493 2.555 1.00 0.00 H new ATOM 0 HG3 ARG A 126 13.568 -0.433 2.340 1.00 0.00 H new ATOM 0 HD2 ARG A 126 14.965 1.490 2.535 1.00 0.00 H new ATOM 0 HD3 ARG A 126 13.666 2.597 2.137 1.00 0.00 H new ATOM 0 HE ARG A 126 13.460 1.007 4.706 1.00 0.00 H new ATOM 0 HH11 ARG A 126 11.994 3.587 3.400 1.00 0.00 H new ATOM 0 HH12 ARG A 126 12.516 4.795 4.580 1.00 0.00 H new ATOM 0 HH21 ARG A 126 14.950 2.723 5.993 1.00 0.00 H new ATOM 0 HH22 ARG A 126 14.175 4.310 6.034 1.00 0.00 H new ATOM 806 N GLU A 127 10.333 0.148 -1.577 1.00 0.00 N ATOM 807 CA GLU A 127 10.010 -0.141 -2.998 1.00 0.00 C ATOM 808 C GLU A 127 8.800 0.684 -3.453 1.00 0.00 C ATOM 809 O GLU A 127 8.809 1.268 -4.519 1.00 0.00 O ATOM 810 CB GLU A 127 9.674 -1.625 -3.126 1.00 0.00 C ATOM 811 CG GLU A 127 9.078 -1.902 -4.508 1.00 0.00 C ATOM 812 CD GLU A 127 8.891 -3.407 -4.694 1.00 0.00 C ATOM 813 OE1 GLU A 127 7.834 -3.902 -4.338 1.00 0.00 O ATOM 814 OE2 GLU A 127 9.808 -4.042 -5.190 1.00 0.00 O ATOM 0 H GLU A 127 9.752 -0.343 -0.897 1.00 0.00 H new ATOM 0 HA GLU A 127 10.866 0.118 -3.621 1.00 0.00 H new ATOM 0 HB2 GLU A 127 10.572 -2.225 -2.980 1.00 0.00 H new ATOM 0 HB3 GLU A 127 8.967 -1.916 -2.349 1.00 0.00 H new ATOM 0 HG2 GLU A 127 8.121 -1.391 -4.611 1.00 0.00 H new ATOM 0 HG3 GLU A 127 9.735 -1.508 -5.284 1.00 0.00 H new ATOM 821 N ALA A 128 7.747 0.724 -2.674 1.00 0.00 N ATOM 822 CA ALA A 128 6.546 1.496 -3.104 1.00 0.00 C ATOM 823 C ALA A 128 6.775 2.996 -2.884 1.00 0.00 C ATOM 824 O ALA A 128 6.664 3.786 -3.801 1.00 0.00 O ATOM 825 CB ALA A 128 5.330 1.027 -2.303 1.00 0.00 C ATOM 0 H ALA A 128 7.669 0.260 -1.769 1.00 0.00 H new ATOM 0 HA ALA A 128 6.368 1.325 -4.166 1.00 0.00 H new ATOM 0 HB1 ALA A 128 4.450 1.589 -2.615 1.00 0.00 H new ATOM 0 HB2 ALA A 128 5.164 -0.035 -2.482 1.00 0.00 H new ATOM 0 HB3 ALA A 128 5.508 1.192 -1.240 1.00 0.00 H new ATOM 831 N ASP A 129 7.092 3.399 -1.685 1.00 0.00 N ATOM 832 CA ASP A 129 7.323 4.851 -1.424 1.00 0.00 C ATOM 833 C ASP A 129 8.800 5.184 -1.644 1.00 0.00 C ATOM 834 O ASP A 129 9.627 4.949 -0.787 1.00 0.00 O ATOM 835 CB ASP A 129 6.941 5.174 0.019 1.00 0.00 C ATOM 836 CG ASP A 129 7.636 4.195 0.960 1.00 0.00 C ATOM 837 OD1 ASP A 129 7.115 3.106 1.134 1.00 0.00 O ATOM 838 OD2 ASP A 129 8.676 4.550 1.490 1.00 0.00 O ATOM 0 H ASP A 129 7.201 2.789 -0.875 1.00 0.00 H new ATOM 0 HA ASP A 129 6.712 5.443 -2.106 1.00 0.00 H new ATOM 0 HB2 ASP A 129 7.230 6.196 0.263 1.00 0.00 H new ATOM 0 HB3 ASP A 129 5.860 5.110 0.143 1.00 0.00 H new ATOM 893 N GLY A 134 4.252 11.592 -1.690 1.00 0.00 N ATOM 894 CA GLY A 134 3.239 11.003 -0.768 1.00 0.00 C ATOM 895 C GLY A 134 3.746 9.662 -0.241 1.00 0.00 C ATOM 896 O GLY A 134 3.181 8.632 -0.539 1.00 0.00 O ATOM 0 HA2 GLY A 134 3.049 11.683 0.062 1.00 0.00 H new ATOM 0 HA3 GLY A 134 2.293 10.866 -1.291 1.00 0.00 H new ATOM 900 N GLN A 135 4.804 9.681 0.540 1.00 0.00 N ATOM 901 CA GLN A 135 5.385 8.421 1.119 1.00 0.00 C ATOM 902 C GLN A 135 4.907 7.187 0.342 1.00 0.00 C ATOM 903 O GLN A 135 5.305 6.969 -0.784 1.00 0.00 O ATOM 904 CB GLN A 135 4.970 8.307 2.587 1.00 0.00 C ATOM 905 CG GLN A 135 5.473 9.530 3.358 1.00 0.00 C ATOM 906 CD GLN A 135 6.252 9.070 4.591 1.00 0.00 C ATOM 907 OE1 GLN A 135 5.852 8.145 5.268 1.00 0.00 O ATOM 908 NE2 GLN A 135 7.358 9.684 4.915 1.00 0.00 N ATOM 0 H GLN A 135 5.299 10.532 0.806 1.00 0.00 H new ATOM 0 HA GLN A 135 6.471 8.466 1.043 1.00 0.00 H new ATOM 0 HB2 GLN A 135 3.885 8.236 2.664 1.00 0.00 H new ATOM 0 HB3 GLN A 135 5.381 7.396 3.022 1.00 0.00 H new ATOM 0 HG2 GLN A 135 6.111 10.140 2.718 1.00 0.00 H new ATOM 0 HG3 GLN A 135 4.632 10.155 3.658 1.00 0.00 H new ATOM 0 HE21 GLN A 135 7.695 10.461 4.347 1.00 0.00 H new ATOM 0 HE22 GLN A 135 7.885 9.386 5.736 1.00 0.00 H new ATOM 917 N VAL A 136 4.048 6.381 0.919 1.00 0.00 N ATOM 918 CA VAL A 136 3.561 5.181 0.181 1.00 0.00 C ATOM 919 C VAL A 136 2.121 5.407 -0.260 1.00 0.00 C ATOM 920 O VAL A 136 1.204 5.347 0.533 1.00 0.00 O ATOM 921 CB VAL A 136 3.623 3.933 1.067 1.00 0.00 C ATOM 922 CG1 VAL A 136 4.378 2.835 0.318 1.00 0.00 C ATOM 923 CG2 VAL A 136 4.345 4.243 2.385 1.00 0.00 C ATOM 0 H VAL A 136 3.669 6.503 1.858 1.00 0.00 H new ATOM 0 HA VAL A 136 4.202 5.027 -0.687 1.00 0.00 H new ATOM 0 HB VAL A 136 2.609 3.605 1.297 1.00 0.00 H new ATOM 0 HG11 VAL A 136 4.429 1.940 0.939 1.00 0.00 H new ATOM 0 HG12 VAL A 136 3.856 2.603 -0.611 1.00 0.00 H new ATOM 0 HG13 VAL A 136 5.388 3.177 0.091 1.00 0.00 H new ATOM 0 HG21 VAL A 136 4.379 3.345 3.001 1.00 0.00 H new ATOM 0 HG22 VAL A 136 5.361 4.577 2.174 1.00 0.00 H new ATOM 0 HG23 VAL A 136 3.809 5.028 2.918 1.00 0.00 H new ATOM 933 N ASN A 137 1.911 5.657 -1.519 1.00 0.00 N ATOM 934 CA ASN A 137 0.525 5.879 -2.000 1.00 0.00 C ATOM 935 C ASN A 137 -0.088 4.538 -2.401 1.00 0.00 C ATOM 936 O ASN A 137 0.403 3.494 -2.030 1.00 0.00 O ATOM 937 CB ASN A 137 0.542 6.831 -3.196 1.00 0.00 C ATOM 938 CG ASN A 137 1.691 6.459 -4.134 1.00 0.00 C ATOM 939 OD1 ASN A 137 1.476 5.614 -5.105 1.00 0.00 O flip ATOM 940 ND2 ASN A 137 2.796 6.940 -3.983 1.00 0.00 N flip ATOM 0 H ASN A 137 2.637 5.717 -2.233 1.00 0.00 H new ATOM 0 HA ASN A 137 -0.074 6.325 -1.206 1.00 0.00 H new ATOM 0 HB2 ASN A 137 -0.407 6.778 -3.729 1.00 0.00 H new ATOM 0 HB3 ASN A 137 0.658 7.859 -2.853 1.00 0.00 H new ATOM 0 HD21 ASN A 137 2.965 7.601 -3.224 1.00 0.00 H new ATOM 0 HD22 ASN A 137 3.555 6.683 -4.615 1.00 0.00 H new ATOM 947 N TYR A 138 -1.158 4.553 -3.141 1.00 0.00 N ATOM 948 CA TYR A 138 -1.797 3.273 -3.540 1.00 0.00 C ATOM 949 C TYR A 138 -1.170 2.774 -4.825 1.00 0.00 C ATOM 950 O TYR A 138 -0.915 1.599 -4.996 1.00 0.00 O ATOM 951 CB TYR A 138 -3.288 3.495 -3.761 1.00 0.00 C ATOM 952 CG TYR A 138 -3.923 3.781 -2.435 1.00 0.00 C ATOM 953 CD1 TYR A 138 -3.493 4.869 -1.669 1.00 0.00 C ATOM 954 CD2 TYR A 138 -4.927 2.946 -1.964 1.00 0.00 C ATOM 955 CE1 TYR A 138 -4.072 5.120 -0.425 1.00 0.00 C ATOM 956 CE2 TYR A 138 -5.516 3.195 -0.720 1.00 0.00 C ATOM 957 CZ TYR A 138 -5.086 4.284 0.050 1.00 0.00 C ATOM 958 OH TYR A 138 -5.657 4.531 1.278 1.00 0.00 O ATOM 0 H TYR A 138 -1.617 5.396 -3.486 1.00 0.00 H new ATOM 0 HA TYR A 138 -1.651 2.535 -2.751 1.00 0.00 H new ATOM 0 HB2 TYR A 138 -3.450 4.326 -4.447 1.00 0.00 H new ATOM 0 HB3 TYR A 138 -3.740 2.614 -4.216 1.00 0.00 H new ATOM 0 HD1 TYR A 138 -2.712 5.516 -2.041 1.00 0.00 H new ATOM 0 HD2 TYR A 138 -5.253 2.105 -2.558 1.00 0.00 H new ATOM 0 HE1 TYR A 138 -3.738 5.958 0.169 1.00 0.00 H new ATOM 0 HE2 TYR A 138 -6.300 2.549 -0.354 1.00 0.00 H new ATOM 0 HH TYR A 138 -5.054 4.223 1.987 1.00 0.00 H new ATOM 968 N GLU A 139 -0.922 3.659 -5.732 1.00 0.00 N ATOM 969 CA GLU A 139 -0.314 3.234 -7.009 1.00 0.00 C ATOM 970 C GLU A 139 0.953 2.437 -6.696 1.00 0.00 C ATOM 971 O GLU A 139 1.361 1.569 -7.442 1.00 0.00 O ATOM 972 CB GLU A 139 0.044 4.454 -7.864 1.00 0.00 C ATOM 973 CG GLU A 139 -0.994 5.558 -7.655 1.00 0.00 C ATOM 974 CD GLU A 139 -1.087 6.418 -8.917 1.00 0.00 C ATOM 975 OE1 GLU A 139 -0.067 6.943 -9.330 1.00 0.00 O ATOM 976 OE2 GLU A 139 -2.179 6.538 -9.448 1.00 0.00 O ATOM 0 H GLU A 139 -1.113 4.657 -5.647 1.00 0.00 H new ATOM 0 HA GLU A 139 -1.023 2.621 -7.566 1.00 0.00 H new ATOM 0 HB2 GLU A 139 1.035 4.819 -7.595 1.00 0.00 H new ATOM 0 HB3 GLU A 139 0.082 4.173 -8.916 1.00 0.00 H new ATOM 0 HG2 GLU A 139 -1.966 5.120 -7.429 1.00 0.00 H new ATOM 0 HG3 GLU A 139 -0.716 6.176 -6.801 1.00 0.00 H new ATOM 983 N GLU A 140 1.572 2.726 -5.582 1.00 0.00 N ATOM 984 CA GLU A 140 2.808 1.994 -5.193 1.00 0.00 C ATOM 985 C GLU A 140 2.450 0.923 -4.158 1.00 0.00 C ATOM 986 O GLU A 140 3.053 -0.127 -4.106 1.00 0.00 O ATOM 987 CB GLU A 140 3.813 2.980 -4.596 1.00 0.00 C ATOM 988 CG GLU A 140 4.699 3.542 -5.710 1.00 0.00 C ATOM 989 CD GLU A 140 4.833 5.057 -5.541 1.00 0.00 C ATOM 990 OE1 GLU A 140 4.811 5.511 -4.409 1.00 0.00 O ATOM 991 OE2 GLU A 140 4.954 5.736 -6.547 1.00 0.00 O ATOM 0 H GLU A 140 1.271 3.443 -4.922 1.00 0.00 H new ATOM 0 HA GLU A 140 3.251 1.518 -6.068 1.00 0.00 H new ATOM 0 HB2 GLU A 140 3.287 3.790 -4.091 1.00 0.00 H new ATOM 0 HB3 GLU A 140 4.426 2.481 -3.846 1.00 0.00 H new ATOM 0 HG2 GLU A 140 5.683 3.074 -5.678 1.00 0.00 H new ATOM 0 HG3 GLU A 140 4.267 3.311 -6.684 1.00 0.00 H new ATOM 998 N PHE A 141 1.458 1.180 -3.348 1.00 0.00 N ATOM 999 CA PHE A 141 1.032 0.175 -2.323 1.00 0.00 C ATOM 1000 C PHE A 141 0.401 -1.019 -3.045 1.00 0.00 C ATOM 1001 O PHE A 141 0.134 -2.043 -2.453 1.00 0.00 O ATOM 1002 CB PHE A 141 -0.011 0.827 -1.410 1.00 0.00 C ATOM 1003 CG PHE A 141 -0.415 -0.106 -0.294 1.00 0.00 C ATOM 1004 CD1 PHE A 141 0.510 -0.462 0.691 1.00 0.00 C ATOM 1005 CD2 PHE A 141 -1.728 -0.590 -0.227 1.00 0.00 C ATOM 1006 CE1 PHE A 141 0.123 -1.304 1.740 1.00 0.00 C ATOM 1007 CE2 PHE A 141 -2.113 -1.427 0.828 1.00 0.00 C ATOM 1008 CZ PHE A 141 -1.184 -1.782 1.810 1.00 0.00 C ATOM 0 H PHE A 141 0.920 2.047 -3.350 1.00 0.00 H new ATOM 0 HA PHE A 141 1.885 -0.160 -1.732 1.00 0.00 H new ATOM 0 HB2 PHE A 141 0.394 1.748 -0.990 1.00 0.00 H new ATOM 0 HB3 PHE A 141 -0.889 1.102 -1.994 1.00 0.00 H new ATOM 0 HD1 PHE A 141 1.522 -0.088 0.643 1.00 0.00 H new ATOM 0 HD2 PHE A 141 -2.443 -0.318 -0.989 1.00 0.00 H new ATOM 0 HE1 PHE A 141 0.840 -1.584 2.498 1.00 0.00 H new ATOM 0 HE2 PHE A 141 -3.126 -1.797 0.883 1.00 0.00 H new ATOM 0 HZ PHE A 141 -1.479 -2.427 2.624 1.00 0.00 H new ATOM 1018 N VAL A 142 0.155 -0.887 -4.325 1.00 0.00 N ATOM 1019 CA VAL A 142 -0.466 -2.004 -5.093 1.00 0.00 C ATOM 1020 C VAL A 142 0.603 -3.036 -5.462 1.00 0.00 C ATOM 1021 O VAL A 142 0.348 -4.224 -5.472 1.00 0.00 O ATOM 1022 CB VAL A 142 -1.109 -1.456 -6.368 1.00 0.00 C ATOM 1023 CG1 VAL A 142 -0.095 -0.599 -7.130 1.00 0.00 C ATOM 1024 CG2 VAL A 142 -1.554 -2.622 -7.253 1.00 0.00 C ATOM 0 H VAL A 142 0.359 -0.050 -4.871 1.00 0.00 H new ATOM 0 HA VAL A 142 -1.229 -2.480 -4.478 1.00 0.00 H new ATOM 0 HB VAL A 142 -1.972 -0.845 -6.104 1.00 0.00 H new ATOM 0 HG11 VAL A 142 -0.556 -0.210 -8.038 1.00 0.00 H new ATOM 0 HG12 VAL A 142 0.225 0.232 -6.501 1.00 0.00 H new ATOM 0 HG13 VAL A 142 0.770 -1.208 -7.395 1.00 0.00 H new ATOM 0 HG21 VAL A 142 -2.013 -2.234 -8.162 1.00 0.00 H new ATOM 0 HG22 VAL A 142 -0.689 -3.231 -7.514 1.00 0.00 H new ATOM 0 HG23 VAL A 142 -2.278 -3.233 -6.713 1.00 0.00 H new ATOM 1034 N GLN A 143 1.806 -2.603 -5.735 1.00 0.00 N ATOM 1035 CA GLN A 143 2.882 -3.582 -6.064 1.00 0.00 C ATOM 1036 C GLN A 143 3.531 -3.965 -4.745 1.00 0.00 C ATOM 1037 O GLN A 143 4.009 -5.064 -4.546 1.00 0.00 O ATOM 1038 CB GLN A 143 3.916 -2.929 -6.988 1.00 0.00 C ATOM 1039 CG GLN A 143 5.208 -3.752 -6.979 1.00 0.00 C ATOM 1040 CD GLN A 143 6.212 -3.135 -7.954 1.00 0.00 C ATOM 1041 OE1 GLN A 143 6.868 -3.841 -8.695 1.00 0.00 O ATOM 1042 NE2 GLN A 143 6.361 -1.840 -7.987 1.00 0.00 N ATOM 0 H GLN A 143 2.088 -1.623 -5.744 1.00 0.00 H new ATOM 0 HA GLN A 143 2.481 -4.457 -6.576 1.00 0.00 H new ATOM 0 HB2 GLN A 143 3.522 -2.864 -8.002 1.00 0.00 H new ATOM 0 HB3 GLN A 143 4.120 -1.910 -6.659 1.00 0.00 H new ATOM 0 HG2 GLN A 143 5.629 -3.777 -5.974 1.00 0.00 H new ATOM 0 HG3 GLN A 143 4.997 -4.783 -7.262 1.00 0.00 H new ATOM 0 HE21 GLN A 143 5.811 -1.247 -7.365 1.00 0.00 H new ATOM 0 HE22 GLN A 143 7.028 -1.420 -8.634 1.00 0.00 H new ATOM 1051 N MET A 144 3.513 -3.038 -3.842 1.00 0.00 N ATOM 1052 CA MET A 144 4.072 -3.245 -2.495 1.00 0.00 C ATOM 1053 C MET A 144 3.444 -4.494 -1.870 1.00 0.00 C ATOM 1054 O MET A 144 4.006 -5.108 -0.985 1.00 0.00 O ATOM 1055 CB MET A 144 3.699 -2.006 -1.683 1.00 0.00 C ATOM 1056 CG MET A 144 4.013 -2.206 -0.215 1.00 0.00 C ATOM 1057 SD MET A 144 5.595 -1.431 0.179 1.00 0.00 S ATOM 1058 CE MET A 144 6.505 -1.989 -1.284 1.00 0.00 C ATOM 0 H MET A 144 3.117 -2.110 -3.992 1.00 0.00 H new ATOM 0 HA MET A 144 5.152 -3.387 -2.521 1.00 0.00 H new ATOM 0 HB2 MET A 144 4.244 -1.141 -2.061 1.00 0.00 H new ATOM 0 HB3 MET A 144 2.637 -1.792 -1.806 1.00 0.00 H new ATOM 0 HG2 MET A 144 3.222 -1.774 0.398 1.00 0.00 H new ATOM 0 HG3 MET A 144 4.050 -3.270 0.017 1.00 0.00 H new ATOM 0 HE1 MET A 144 7.557 -1.721 -1.182 1.00 0.00 H new ATOM 0 HE2 MET A 144 6.414 -3.071 -1.378 1.00 0.00 H new ATOM 0 HE3 MET A 144 6.093 -1.511 -2.173 1.00 0.00 H new ATOM 1068 N MET A 145 2.281 -4.870 -2.324 1.00 0.00 N ATOM 1069 CA MET A 145 1.611 -6.074 -1.759 1.00 0.00 C ATOM 1070 C MET A 145 1.936 -7.291 -2.627 1.00 0.00 C ATOM 1071 O MET A 145 2.468 -8.277 -2.159 1.00 0.00 O ATOM 1072 CB MET A 145 0.095 -5.854 -1.733 1.00 0.00 C ATOM 1073 CG MET A 145 -0.214 -4.378 -1.469 1.00 0.00 C ATOM 1074 SD MET A 145 -1.294 -4.235 -0.024 1.00 0.00 S ATOM 1075 CE MET A 145 -2.857 -4.097 -0.921 1.00 0.00 C ATOM 0 H MET A 145 1.765 -4.394 -3.064 1.00 0.00 H new ATOM 0 HA MET A 145 1.968 -6.245 -0.744 1.00 0.00 H new ATOM 0 HB2 MET A 145 -0.342 -6.162 -2.683 1.00 0.00 H new ATOM 0 HB3 MET A 145 -0.358 -6.473 -0.959 1.00 0.00 H new ATOM 0 HG2 MET A 145 0.711 -3.827 -1.301 1.00 0.00 H new ATOM 0 HG3 MET A 145 -0.695 -3.935 -2.341 1.00 0.00 H new ATOM 0 HE1 MET A 145 -3.539 -3.452 -0.367 1.00 0.00 H new ATOM 0 HE2 MET A 145 -2.674 -3.669 -1.907 1.00 0.00 H new ATOM 0 HE3 MET A 145 -3.302 -5.086 -1.031 1.00 0.00 H new ATOM 1085 N THR A 146 1.620 -7.227 -3.892 1.00 0.00 N ATOM 1086 CA THR A 146 1.911 -8.379 -4.791 1.00 0.00 C ATOM 1087 C THR A 146 3.302 -8.204 -5.406 1.00 0.00 C ATOM 1088 O THR A 146 3.539 -8.566 -6.541 1.00 0.00 O ATOM 1089 CB THR A 146 0.863 -8.435 -5.905 1.00 0.00 C ATOM 1090 OG1 THR A 146 1.318 -9.297 -6.938 1.00 0.00 O ATOM 1091 CG2 THR A 146 0.639 -7.031 -6.469 1.00 0.00 C ATOM 0 H THR A 146 1.173 -6.427 -4.341 1.00 0.00 H new ATOM 0 HA THR A 146 1.880 -9.306 -4.218 1.00 0.00 H new ATOM 0 HB THR A 146 -0.076 -8.815 -5.502 1.00 0.00 H new ATOM 0 HG1 THR A 146 2.199 -9.000 -7.248 1.00 0.00 H new ATOM 0 HG21 THR A 146 -0.107 -7.072 -7.262 1.00 0.00 H new ATOM 0 HG22 THR A 146 0.289 -6.372 -5.675 1.00 0.00 H new ATOM 0 HG23 THR A 146 1.576 -6.647 -6.872 1.00 0.00 H new