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 107 HIS :FLIP no HD1:sc= 0.0324 F(o=-1.6,f=-0.92) USER MOD Set 1.2: A 111 ASN : amide:sc= -0.951 K(o=-0.92,f=-1.6) USER MOD Single : A 97 ASN : amide:sc= -0.341 K(o=-0.34,f=-2.2!) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 109 MET CE :methyl -153:sc= -10.5! (180deg=-12.9!) USER MOD Single : A 110 THR OG1 : rot 124:sc= 0.183 USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 THR OG1 : rot 180:sc= -0.0924 USER MOD Single : A 124 MET CE :methyl -167:sc= -0.138 (180deg=-0.468) USER MOD Single : A 135 GLN : amide:sc= -2.94! C(o=-2.9!,f=-6.5!) USER MOD Single : A 137 ASN :FLIP amide:sc= 0.172 F(o=-3.2,f=0.17) USER MOD Single : A 138 TYR OH : rot 180:sc= -5.44! USER MOD Single : A 143 GLN : amide:sc= -2.09! C(o=-2.1!,f=-1.9!) USER MOD Single : A 144 MET CE :methyl -111:sc= -4.18! (180deg=-11.9!) USER MOD Single : A 145 MET CE :methyl -137:sc= -5.14! (180deg=-13!) USER MOD Single : A 146 THR OG1 : rot -72:sc= 0.986 USER MOD ----------------------------------------------------------------- ATOM 91 N GLU A 82 -6.960 -2.865 -7.821 1.00 0.00 N ATOM 92 CA GLU A 82 -6.742 -2.370 -6.433 1.00 0.00 C ATOM 93 C GLU A 82 -8.063 -2.428 -5.666 1.00 0.00 C ATOM 94 O GLU A 82 -8.123 -2.113 -4.497 1.00 0.00 O ATOM 95 CB GLU A 82 -6.217 -0.932 -6.463 1.00 0.00 C ATOM 96 CG GLU A 82 -5.175 -0.793 -7.575 1.00 0.00 C ATOM 97 CD GLU A 82 -5.833 -0.197 -8.822 1.00 0.00 C ATOM 98 OE1 GLU A 82 -6.358 0.900 -8.724 1.00 0.00 O ATOM 99 OE2 GLU A 82 -5.801 -0.849 -9.853 1.00 0.00 O ATOM 0 HA GLU A 82 -6.004 -2.999 -5.936 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -7.039 -0.237 -6.631 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -5.774 -0.675 -5.501 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -4.356 -0.155 -7.243 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -4.745 -1.767 -7.808 1.00 0.00 H new ATOM 106 N GLU A 83 -9.127 -2.844 -6.307 1.00 0.00 N ATOM 107 CA GLU A 83 -10.429 -2.933 -5.590 1.00 0.00 C ATOM 108 C GLU A 83 -10.185 -3.584 -4.229 1.00 0.00 C ATOM 109 O GLU A 83 -10.888 -3.340 -3.269 1.00 0.00 O ATOM 110 CB GLU A 83 -11.408 -3.779 -6.403 1.00 0.00 C ATOM 111 CG GLU A 83 -10.974 -5.237 -6.340 1.00 0.00 C ATOM 112 CD GLU A 83 -12.015 -6.116 -7.035 1.00 0.00 C ATOM 113 OE1 GLU A 83 -12.872 -5.567 -7.709 1.00 0.00 O ATOM 114 OE2 GLU A 83 -11.939 -7.324 -6.882 1.00 0.00 O ATOM 0 H GLU A 83 -9.148 -3.123 -7.288 1.00 0.00 H new ATOM 0 HA GLU A 83 -10.854 -1.938 -5.457 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -12.418 -3.669 -6.008 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -11.431 -3.438 -7.438 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -10.003 -5.358 -6.820 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -10.857 -5.547 -5.302 1.00 0.00 H new ATOM 121 N GLU A 84 -9.171 -4.402 -4.144 1.00 0.00 N ATOM 122 CA GLU A 84 -8.842 -5.067 -2.857 1.00 0.00 C ATOM 123 C GLU A 84 -7.847 -4.187 -2.093 1.00 0.00 C ATOM 124 O GLU A 84 -7.895 -4.073 -0.885 1.00 0.00 O ATOM 125 CB GLU A 84 -8.220 -6.439 -3.145 1.00 0.00 C ATOM 126 CG GLU A 84 -6.759 -6.271 -3.575 1.00 0.00 C ATOM 127 CD GLU A 84 -6.175 -7.636 -3.943 1.00 0.00 C ATOM 128 OE1 GLU A 84 -5.890 -8.401 -3.036 1.00 0.00 O ATOM 129 OE2 GLU A 84 -6.021 -7.894 -5.125 1.00 0.00 O ATOM 0 H GLU A 84 -8.553 -4.638 -4.920 1.00 0.00 H new ATOM 0 HA GLU A 84 -9.742 -5.204 -2.257 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -8.276 -7.067 -2.256 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -8.783 -6.945 -3.929 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -6.695 -5.595 -4.427 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -6.181 -5.822 -2.768 1.00 0.00 H new ATOM 136 N ILE A 85 -6.947 -3.561 -2.804 1.00 0.00 N ATOM 137 CA ILE A 85 -5.941 -2.678 -2.148 1.00 0.00 C ATOM 138 C ILE A 85 -6.634 -1.409 -1.635 1.00 0.00 C ATOM 139 O ILE A 85 -6.740 -1.192 -0.446 1.00 0.00 O ATOM 140 CB ILE A 85 -4.865 -2.307 -3.174 1.00 0.00 C ATOM 141 CG1 ILE A 85 -3.918 -3.494 -3.365 1.00 0.00 C ATOM 142 CG2 ILE A 85 -4.069 -1.098 -2.685 1.00 0.00 C ATOM 143 CD1 ILE A 85 -4.163 -4.129 -4.735 1.00 0.00 C ATOM 0 H ILE A 85 -6.866 -3.625 -3.819 1.00 0.00 H new ATOM 0 HA ILE A 85 -5.480 -3.196 -1.307 1.00 0.00 H new ATOM 0 HB ILE A 85 -5.344 -2.059 -4.121 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -2.883 -3.163 -3.286 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -4.078 -4.230 -2.577 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -3.307 -0.842 -3.421 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -4.741 -0.251 -2.549 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -3.590 -1.337 -1.735 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -3.488 -4.974 -4.870 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -5.195 -4.475 -4.796 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -3.981 -3.391 -5.516 1.00 0.00 H new ATOM 155 N ARG A 86 -7.091 -0.572 -2.533 1.00 0.00 N ATOM 156 CA ARG A 86 -7.776 0.690 -2.139 1.00 0.00 C ATOM 157 C ARG A 86 -8.552 0.509 -0.833 1.00 0.00 C ATOM 158 O ARG A 86 -8.423 1.293 0.082 1.00 0.00 O ATOM 159 CB ARG A 86 -8.749 1.077 -3.250 1.00 0.00 C ATOM 160 CG ARG A 86 -8.752 2.589 -3.409 1.00 0.00 C ATOM 161 CD ARG A 86 -9.559 3.221 -2.271 1.00 0.00 C ATOM 162 NE ARG A 86 -10.533 4.198 -2.835 1.00 0.00 N ATOM 163 CZ ARG A 86 -10.379 5.474 -2.613 1.00 0.00 C ATOM 164 NH1 ARG A 86 -10.196 5.908 -1.397 1.00 0.00 N ATOM 165 NH2 ARG A 86 -10.410 6.318 -3.610 1.00 0.00 N ATOM 0 H ARG A 86 -7.015 -0.716 -3.540 1.00 0.00 H new ATOM 0 HA ARG A 86 -7.028 1.468 -1.987 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -8.458 0.602 -4.187 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -9.752 0.723 -3.011 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -7.730 2.968 -3.399 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -9.184 2.863 -4.371 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -10.086 2.448 -1.712 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -8.890 3.721 -1.571 1.00 0.00 H new ATOM 0 HE ARG A 86 -11.320 3.869 -3.394 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -10.173 5.249 -0.618 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -10.076 6.906 -1.224 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -10.555 5.979 -4.561 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -10.290 7.316 -3.437 1.00 0.00 H new ATOM 179 N GLU A 87 -9.359 -0.511 -0.735 1.00 0.00 N ATOM 180 CA GLU A 87 -10.132 -0.720 0.518 1.00 0.00 C ATOM 181 C GLU A 87 -9.163 -1.066 1.650 1.00 0.00 C ATOM 182 O GLU A 87 -9.254 -0.541 2.743 1.00 0.00 O ATOM 183 CB GLU A 87 -11.122 -1.868 0.313 1.00 0.00 C ATOM 184 CG GLU A 87 -11.808 -2.198 1.638 1.00 0.00 C ATOM 185 CD GLU A 87 -13.025 -1.289 1.824 1.00 0.00 C ATOM 186 OE1 GLU A 87 -14.069 -1.613 1.284 1.00 0.00 O ATOM 187 OE2 GLU A 87 -12.892 -0.286 2.506 1.00 0.00 O ATOM 0 H GLU A 87 -9.515 -1.205 -1.466 1.00 0.00 H new ATOM 0 HA GLU A 87 -10.681 0.186 0.775 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -11.866 -1.591 -0.434 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -10.601 -2.747 -0.067 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -12.117 -3.243 1.649 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -11.110 -2.063 2.464 1.00 0.00 H new ATOM 194 N ALA A 88 -8.233 -1.942 1.391 1.00 0.00 N ATOM 195 CA ALA A 88 -7.246 -2.327 2.440 1.00 0.00 C ATOM 196 C ALA A 88 -6.085 -1.325 2.434 1.00 0.00 C ATOM 197 O ALA A 88 -4.957 -1.681 2.184 1.00 0.00 O ATOM 198 CB ALA A 88 -6.713 -3.726 2.132 1.00 0.00 C ATOM 0 H ALA A 88 -8.113 -2.411 0.493 1.00 0.00 H new ATOM 0 HA ALA A 88 -7.724 -2.323 3.420 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -5.990 -4.016 2.894 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -7.539 -4.437 2.126 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -6.229 -3.724 1.155 1.00 0.00 H new ATOM 204 N PHE A 89 -6.370 -0.077 2.706 1.00 0.00 N ATOM 205 CA PHE A 89 -5.314 0.986 2.719 1.00 0.00 C ATOM 206 C PHE A 89 -6.021 2.337 2.808 1.00 0.00 C ATOM 207 O PHE A 89 -5.479 3.306 3.302 1.00 0.00 O ATOM 208 CB PHE A 89 -4.492 0.938 1.422 1.00 0.00 C ATOM 209 CG PHE A 89 -3.063 1.372 1.685 1.00 0.00 C ATOM 210 CD1 PHE A 89 -2.342 0.841 2.765 1.00 0.00 C ATOM 211 CD2 PHE A 89 -2.453 2.305 0.836 1.00 0.00 C ATOM 212 CE1 PHE A 89 -1.015 1.240 2.986 1.00 0.00 C ATOM 213 CE2 PHE A 89 -1.134 2.706 1.060 1.00 0.00 C ATOM 214 CZ PHE A 89 -0.412 2.173 2.133 1.00 0.00 C ATOM 0 H PHE A 89 -7.308 0.258 2.924 1.00 0.00 H new ATOM 0 HA PHE A 89 -4.642 0.833 3.563 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -4.503 -0.073 1.015 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -4.944 1.588 0.673 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -2.808 0.125 3.426 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -3.006 2.716 0.004 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -0.458 0.827 3.814 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -0.671 3.428 0.404 1.00 0.00 H new ATOM 0 HZ PHE A 89 0.609 2.481 2.303 1.00 0.00 H new ATOM 224 N ARG A 90 -7.244 2.396 2.349 1.00 0.00 N ATOM 225 CA ARG A 90 -8.008 3.658 2.420 1.00 0.00 C ATOM 226 C ARG A 90 -8.192 4.004 3.887 1.00 0.00 C ATOM 227 O ARG A 90 -8.459 5.131 4.255 1.00 0.00 O ATOM 228 CB ARG A 90 -9.376 3.460 1.765 1.00 0.00 C ATOM 229 CG ARG A 90 -10.176 2.420 2.554 1.00 0.00 C ATOM 230 CD ARG A 90 -11.617 2.905 2.722 1.00 0.00 C ATOM 231 NE ARG A 90 -12.326 2.817 1.415 1.00 0.00 N ATOM 232 CZ ARG A 90 -13.241 3.695 1.109 1.00 0.00 C ATOM 233 NH1 ARG A 90 -13.959 4.245 2.050 1.00 0.00 N ATOM 234 NH2 ARG A 90 -13.440 4.023 -0.138 1.00 0.00 N ATOM 0 H ARG A 90 -7.743 1.613 1.926 1.00 0.00 H new ATOM 0 HA ARG A 90 -7.480 4.459 1.901 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -9.917 4.406 1.737 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -9.252 3.132 0.733 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -10.162 1.463 2.033 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -9.719 2.258 3.530 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -12.131 2.299 3.468 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -11.626 3.933 3.084 1.00 0.00 H new ATOM 0 HE ARG A 90 -12.096 2.070 0.759 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -13.805 3.988 3.025 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -14.674 4.931 1.810 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -12.880 3.593 -0.874 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -14.156 4.710 -0.377 1.00 0.00 H new ATOM 248 N VAL A 91 -8.048 3.022 4.725 1.00 0.00 N ATOM 249 CA VAL A 91 -8.207 3.243 6.176 1.00 0.00 C ATOM 250 C VAL A 91 -7.453 4.503 6.584 1.00 0.00 C ATOM 251 O VAL A 91 -7.821 5.186 7.519 1.00 0.00 O ATOM 252 CB VAL A 91 -7.627 2.045 6.920 1.00 0.00 C ATOM 253 CG1 VAL A 91 -7.747 2.270 8.427 1.00 0.00 C ATOM 254 CG2 VAL A 91 -8.396 0.786 6.520 1.00 0.00 C ATOM 0 H VAL A 91 -7.824 2.063 4.458 1.00 0.00 H new ATOM 0 HA VAL A 91 -9.263 3.360 6.420 1.00 0.00 H new ATOM 0 HB VAL A 91 -6.575 1.926 6.661 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -7.332 1.413 8.957 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -7.198 3.169 8.705 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -8.797 2.389 8.695 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -7.986 -0.074 7.049 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -9.448 0.904 6.780 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -8.303 0.629 5.445 1.00 0.00 H new ATOM 264 N PHE A 92 -6.390 4.808 5.898 1.00 0.00 N ATOM 265 CA PHE A 92 -5.600 6.011 6.254 1.00 0.00 C ATOM 266 C PHE A 92 -5.879 7.133 5.269 1.00 0.00 C ATOM 267 O PHE A 92 -6.012 8.268 5.663 1.00 0.00 O ATOM 268 CB PHE A 92 -4.125 5.665 6.216 1.00 0.00 C ATOM 269 CG PHE A 92 -3.863 4.605 7.246 1.00 0.00 C ATOM 270 CD1 PHE A 92 -3.544 4.988 8.548 1.00 0.00 C ATOM 271 CD2 PHE A 92 -3.945 3.248 6.907 1.00 0.00 C ATOM 272 CE1 PHE A 92 -3.300 4.015 9.524 1.00 0.00 C ATOM 273 CE2 PHE A 92 -3.702 2.273 7.882 1.00 0.00 C ATOM 274 CZ PHE A 92 -3.378 2.656 9.191 1.00 0.00 C ATOM 0 H PHE A 92 -6.035 4.274 5.105 1.00 0.00 H new ATOM 0 HA PHE A 92 -5.881 6.341 7.254 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -3.844 5.309 5.225 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -3.522 6.550 6.420 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -3.485 6.036 8.804 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -4.195 2.955 5.898 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -3.052 4.311 10.533 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -3.764 1.226 7.626 1.00 0.00 H new ATOM 0 HZ PHE A 92 -3.189 1.904 9.943 1.00 0.00 H new ATOM 284 N ASP A 93 -5.963 6.827 3.999 1.00 0.00 N ATOM 285 CA ASP A 93 -6.235 7.889 2.989 1.00 0.00 C ATOM 286 C ASP A 93 -7.405 8.744 3.486 1.00 0.00 C ATOM 287 O ASP A 93 -8.556 8.476 3.205 1.00 0.00 O ATOM 288 CB ASP A 93 -6.576 7.229 1.647 1.00 0.00 C ATOM 289 CG ASP A 93 -7.089 8.279 0.654 1.00 0.00 C ATOM 290 OD1 ASP A 93 -7.966 9.040 1.023 1.00 0.00 O ATOM 291 OD2 ASP A 93 -6.598 8.298 -0.462 1.00 0.00 O ATOM 0 H ASP A 93 -5.855 5.886 3.620 1.00 0.00 H new ATOM 0 HA ASP A 93 -5.361 8.525 2.851 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -5.693 6.736 1.241 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -7.332 6.458 1.795 1.00 0.00 H new ATOM 337 N ASN A 97 -5.869 11.028 0.042 1.00 0.00 N ATOM 338 CA ASN A 97 -4.407 11.268 -0.083 1.00 0.00 C ATOM 339 C ASN A 97 -3.790 10.135 -0.901 1.00 0.00 C ATOM 340 O ASN A 97 -3.054 10.359 -1.841 1.00 0.00 O ATOM 341 CB ASN A 97 -3.769 11.303 1.308 1.00 0.00 C ATOM 342 CG ASN A 97 -3.662 12.751 1.785 1.00 0.00 C ATOM 343 OD1 ASN A 97 -3.510 13.657 0.988 1.00 0.00 O ATOM 344 ND2 ASN A 97 -3.735 13.013 3.061 1.00 0.00 N ATOM 0 HA ASN A 97 -4.231 12.223 -0.579 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -4.368 10.722 2.009 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -2.780 10.845 1.278 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -3.665 13.976 3.389 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -3.862 12.254 3.731 1.00 0.00 H new ATOM 351 N GLY A 98 -4.086 8.915 -0.547 1.00 0.00 N ATOM 352 CA GLY A 98 -3.523 7.762 -1.297 1.00 0.00 C ATOM 353 C GLY A 98 -2.162 7.409 -0.712 1.00 0.00 C ATOM 354 O GLY A 98 -1.943 6.310 -0.241 1.00 0.00 O ATOM 0 H GLY A 98 -4.696 8.668 0.232 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -4.195 6.906 -1.232 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -3.426 8.011 -2.354 1.00 0.00 H new ATOM 358 N TYR A 99 -1.244 8.336 -0.735 1.00 0.00 N ATOM 359 CA TYR A 99 0.112 8.066 -0.186 1.00 0.00 C ATOM 360 C TYR A 99 0.059 8.135 1.335 1.00 0.00 C ATOM 361 O TYR A 99 -0.427 9.088 1.911 1.00 0.00 O ATOM 362 CB TYR A 99 1.089 9.116 -0.733 1.00 0.00 C ATOM 363 CG TYR A 99 1.037 10.371 0.111 1.00 0.00 C ATOM 364 CD1 TYR A 99 1.703 10.410 1.342 1.00 0.00 C ATOM 365 CD2 TYR A 99 0.325 11.490 -0.334 1.00 0.00 C ATOM 366 CE1 TYR A 99 1.659 11.566 2.127 1.00 0.00 C ATOM 367 CE2 TYR A 99 0.280 12.649 0.451 1.00 0.00 C ATOM 368 CZ TYR A 99 0.946 12.687 1.682 1.00 0.00 C ATOM 369 OH TYR A 99 0.903 13.829 2.456 1.00 0.00 O ATOM 0 H TYR A 99 -1.377 9.274 -1.113 1.00 0.00 H new ATOM 0 HA TYR A 99 0.450 7.073 -0.484 1.00 0.00 H new ATOM 0 HB2 TYR A 99 2.102 8.713 -0.736 1.00 0.00 H new ATOM 0 HB3 TYR A 99 0.837 9.354 -1.766 1.00 0.00 H new ATOM 0 HD1 TYR A 99 2.252 9.546 1.686 1.00 0.00 H new ATOM 0 HD2 TYR A 99 -0.190 11.460 -1.283 1.00 0.00 H new ATOM 0 HE1 TYR A 99 2.174 11.595 3.076 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -0.268 13.513 0.107 1.00 0.00 H new ATOM 0 HH TYR A 99 0.368 14.512 2.001 1.00 0.00 H new ATOM 379 N ILE A 100 0.555 7.129 1.987 1.00 0.00 N ATOM 380 CA ILE A 100 0.532 7.133 3.465 1.00 0.00 C ATOM 381 C ILE A 100 1.938 6.830 3.997 1.00 0.00 C ATOM 382 O ILE A 100 2.816 6.425 3.261 1.00 0.00 O ATOM 383 CB ILE A 100 -0.491 6.108 3.969 1.00 0.00 C ATOM 384 CG1 ILE A 100 -0.804 5.068 2.882 1.00 0.00 C ATOM 385 CG2 ILE A 100 -1.781 6.846 4.335 1.00 0.00 C ATOM 386 CD1 ILE A 100 -1.918 4.148 3.381 1.00 0.00 C ATOM 0 H ILE A 100 0.975 6.304 1.559 1.00 0.00 H new ATOM 0 HA ILE A 100 0.232 8.115 3.831 1.00 0.00 H new ATOM 0 HB ILE A 100 -0.078 5.592 4.836 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -1.110 5.565 1.962 1.00 0.00 H new ATOM 0 HG13 ILE A 100 0.088 4.487 2.649 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -2.520 6.130 4.696 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -1.573 7.577 5.116 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -2.170 7.357 3.454 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -2.147 3.406 2.616 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -1.593 3.643 4.290 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -2.810 4.738 3.593 1.00 0.00 H new ATOM 398 N SER A 101 2.168 7.059 5.261 1.00 0.00 N ATOM 399 CA SER A 101 3.525 6.829 5.837 1.00 0.00 C ATOM 400 C SER A 101 3.850 5.337 5.903 1.00 0.00 C ATOM 401 O SER A 101 2.985 4.493 5.787 1.00 0.00 O ATOM 402 CB SER A 101 3.570 7.407 7.249 1.00 0.00 C ATOM 403 OG SER A 101 3.437 8.820 7.184 1.00 0.00 O ATOM 0 H SER A 101 1.471 7.398 5.924 1.00 0.00 H new ATOM 0 HA SER A 101 4.259 7.317 5.196 1.00 0.00 H new ATOM 0 HB2 SER A 101 2.768 6.983 7.853 1.00 0.00 H new ATOM 0 HB3 SER A 101 4.510 7.141 7.733 1.00 0.00 H new ATOM 0 HG SER A 101 3.464 9.193 8.090 1.00 0.00 H new ATOM 409 N ALA A 102 5.099 5.012 6.110 1.00 0.00 N ATOM 410 CA ALA A 102 5.489 3.580 6.211 1.00 0.00 C ATOM 411 C ALA A 102 4.778 2.975 7.414 1.00 0.00 C ATOM 412 O ALA A 102 4.456 1.806 7.434 1.00 0.00 O ATOM 413 CB ALA A 102 7.003 3.470 6.401 1.00 0.00 C ATOM 0 H ALA A 102 5.864 5.678 6.213 1.00 0.00 H new ATOM 0 HA ALA A 102 5.209 3.049 5.301 1.00 0.00 H new ATOM 0 HB1 ALA A 102 7.285 2.420 6.475 1.00 0.00 H new ATOM 0 HB2 ALA A 102 7.510 3.923 5.549 1.00 0.00 H new ATOM 0 HB3 ALA A 102 7.294 3.989 7.315 1.00 0.00 H new ATOM 419 N ALA A 103 4.511 3.769 8.413 1.00 0.00 N ATOM 420 CA ALA A 103 3.799 3.240 9.604 1.00 0.00 C ATOM 421 C ALA A 103 2.392 2.837 9.172 1.00 0.00 C ATOM 422 O ALA A 103 1.807 1.912 9.700 1.00 0.00 O ATOM 423 CB ALA A 103 3.718 4.322 10.683 1.00 0.00 C ATOM 0 H ALA A 103 4.755 4.758 8.454 1.00 0.00 H new ATOM 0 HA ALA A 103 4.332 2.381 10.012 1.00 0.00 H new ATOM 0 HB1 ALA A 103 3.195 3.928 11.554 1.00 0.00 H new ATOM 0 HB2 ALA A 103 4.725 4.625 10.971 1.00 0.00 H new ATOM 0 HB3 ALA A 103 3.177 5.184 10.294 1.00 0.00 H new ATOM 429 N GLU A 104 1.849 3.519 8.196 1.00 0.00 N ATOM 430 CA GLU A 104 0.488 3.168 7.714 1.00 0.00 C ATOM 431 C GLU A 104 0.512 1.749 7.161 1.00 0.00 C ATOM 432 O GLU A 104 -0.227 0.895 7.593 1.00 0.00 O ATOM 433 CB GLU A 104 0.073 4.128 6.600 1.00 0.00 C ATOM 434 CG GLU A 104 -0.909 5.151 7.166 1.00 0.00 C ATOM 435 CD GLU A 104 -0.209 6.504 7.317 1.00 0.00 C ATOM 436 OE1 GLU A 104 0.715 6.583 8.109 1.00 0.00 O ATOM 437 OE2 GLU A 104 -0.607 7.435 6.639 1.00 0.00 O ATOM 0 H GLU A 104 2.292 4.302 7.715 1.00 0.00 H new ATOM 0 HA GLU A 104 -0.221 3.240 8.539 1.00 0.00 H new ATOM 0 HB2 GLU A 104 0.949 4.633 6.192 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -0.388 3.577 5.780 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -1.771 5.247 6.505 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -1.284 4.814 8.132 1.00 0.00 H new ATOM 444 N LEU A 105 1.364 1.503 6.207 1.00 0.00 N ATOM 445 CA LEU A 105 1.460 0.146 5.605 1.00 0.00 C ATOM 446 C LEU A 105 1.724 -0.895 6.697 1.00 0.00 C ATOM 447 O LEU A 105 1.017 -1.874 6.821 1.00 0.00 O ATOM 448 CB LEU A 105 2.611 0.143 4.611 1.00 0.00 C ATOM 449 CG LEU A 105 2.104 -0.362 3.266 1.00 0.00 C ATOM 450 CD1 LEU A 105 2.378 0.686 2.186 1.00 0.00 C ATOM 451 CD2 LEU A 105 2.828 -1.670 2.922 1.00 0.00 C ATOM 0 H LEU A 105 2.005 2.192 5.814 1.00 0.00 H new ATOM 0 HA LEU A 105 0.525 -0.103 5.103 1.00 0.00 H new ATOM 0 HB2 LEU A 105 3.020 1.148 4.506 1.00 0.00 H new ATOM 0 HB3 LEU A 105 3.419 -0.494 4.972 1.00 0.00 H new ATOM 0 HG LEU A 105 1.030 -0.541 3.318 1.00 0.00 H new ATOM 0 HD11 LEU A 105 2.014 0.322 1.225 1.00 0.00 H new ATOM 0 HD12 LEU A 105 1.865 1.613 2.440 1.00 0.00 H new ATOM 0 HD13 LEU A 105 3.450 0.870 2.122 1.00 0.00 H new ATOM 0 HD21 LEU A 105 2.473 -2.041 1.961 1.00 0.00 H new ATOM 0 HD22 LEU A 105 3.901 -1.488 2.866 1.00 0.00 H new ATOM 0 HD23 LEU A 105 2.625 -2.412 3.694 1.00 0.00 H new ATOM 463 N ARG A 106 2.741 -0.698 7.488 1.00 0.00 N ATOM 464 CA ARG A 106 3.052 -1.680 8.568 1.00 0.00 C ATOM 465 C ARG A 106 1.763 -2.115 9.271 1.00 0.00 C ATOM 466 O ARG A 106 1.687 -3.185 9.841 1.00 0.00 O ATOM 467 CB ARG A 106 3.995 -1.029 9.585 1.00 0.00 C ATOM 468 CG ARG A 106 4.060 -1.886 10.850 1.00 0.00 C ATOM 469 CD ARG A 106 2.916 -1.493 11.787 1.00 0.00 C ATOM 470 NE ARG A 106 3.452 -1.276 13.160 1.00 0.00 N ATOM 471 CZ ARG A 106 2.693 -0.746 14.080 1.00 0.00 C ATOM 472 NH1 ARG A 106 1.920 0.264 13.787 1.00 0.00 N ATOM 473 NH2 ARG A 106 2.707 -1.227 15.292 1.00 0.00 N ATOM 0 H ARG A 106 3.372 0.101 7.435 1.00 0.00 H new ATOM 0 HA ARG A 106 3.529 -2.557 8.130 1.00 0.00 H new ATOM 0 HB2 ARG A 106 4.991 -0.922 9.155 1.00 0.00 H new ATOM 0 HB3 ARG A 106 3.644 -0.027 9.831 1.00 0.00 H new ATOM 0 HG2 ARG A 106 3.987 -2.942 10.591 1.00 0.00 H new ATOM 0 HG3 ARG A 106 5.019 -1.746 11.349 1.00 0.00 H new ATOM 0 HD2 ARG A 106 2.432 -0.586 11.426 1.00 0.00 H new ATOM 0 HD3 ARG A 106 2.157 -2.276 11.801 1.00 0.00 H new ATOM 0 HE ARG A 106 4.412 -1.542 13.381 1.00 0.00 H new ATOM 0 HH11 ARG A 106 1.909 0.639 12.839 1.00 0.00 H new ATOM 0 HH12 ARG A 106 1.327 0.678 14.506 1.00 0.00 H new ATOM 0 HH21 ARG A 106 3.311 -2.017 15.520 1.00 0.00 H new ATOM 0 HH22 ARG A 106 2.114 -0.813 16.012 1.00 0.00 H new ATOM 487 N HIS A 107 0.753 -1.293 9.244 1.00 0.00 N ATOM 488 CA HIS A 107 -0.525 -1.658 9.921 1.00 0.00 C ATOM 489 C HIS A 107 -1.539 -2.179 8.895 1.00 0.00 C ATOM 490 O HIS A 107 -2.384 -2.995 9.206 1.00 0.00 O ATOM 491 CB HIS A 107 -1.097 -0.421 10.616 1.00 0.00 C ATOM 492 CG HIS A 107 -2.115 -0.846 11.637 1.00 0.00 C ATOM 493 ND1 HIS A 107 -3.473 -1.024 11.556 1.00 0.00 N flip ATOM 494 CD2 HIS A 107 -1.772 -1.146 12.946 1.00 0.00 C flip ATOM 495 CE1 HIS A 107 -3.969 -1.428 12.792 1.00 0.00 C flip ATOM 496 NE2 HIS A 107 -2.901 -1.485 13.594 1.00 0.00 N flip ATOM 0 H HIS A 107 0.755 -0.383 8.783 1.00 0.00 H new ATOM 0 HA HIS A 107 -0.330 -2.441 10.654 1.00 0.00 H new ATOM 0 HB2 HIS A 107 -0.297 0.142 11.097 1.00 0.00 H new ATOM 0 HB3 HIS A 107 -1.556 0.242 9.883 1.00 0.00 H new ATOM 0 HD2 HIS A 107 -0.779 -1.113 13.369 1.00 0.00 H new ATOM 0 HE1 HIS A 107 -4.995 -1.648 13.048 1.00 0.00 H new ATOM 0 HE2 HIS A 107 -2.938 -1.753 14.578 1.00 0.00 H new ATOM 504 N VAL A 108 -1.467 -1.714 7.677 1.00 0.00 N ATOM 505 CA VAL A 108 -2.432 -2.182 6.640 1.00 0.00 C ATOM 506 C VAL A 108 -1.944 -3.498 6.048 1.00 0.00 C ATOM 507 O VAL A 108 -2.606 -4.496 6.125 1.00 0.00 O ATOM 508 CB VAL A 108 -2.550 -1.150 5.515 1.00 0.00 C ATOM 509 CG1 VAL A 108 -4.002 -1.084 5.046 1.00 0.00 C ATOM 510 CG2 VAL A 108 -2.128 0.232 6.019 1.00 0.00 C ATOM 0 H VAL A 108 -0.782 -1.030 7.355 1.00 0.00 H new ATOM 0 HA VAL A 108 -3.407 -2.318 7.109 1.00 0.00 H new ATOM 0 HB VAL A 108 -1.900 -1.446 4.692 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -4.093 -0.351 4.245 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -4.311 -2.063 4.679 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -4.641 -0.791 5.879 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -2.216 0.957 5.210 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -2.773 0.530 6.846 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -1.094 0.194 6.361 1.00 0.00 H new ATOM 520 N MET A 109 -0.784 -3.519 5.469 1.00 0.00 N ATOM 521 CA MET A 109 -0.274 -4.786 4.876 1.00 0.00 C ATOM 522 C MET A 109 -0.281 -5.928 5.914 1.00 0.00 C ATOM 523 O MET A 109 0.034 -7.054 5.596 1.00 0.00 O ATOM 524 CB MET A 109 1.151 -4.560 4.376 1.00 0.00 C ATOM 525 CG MET A 109 1.129 -4.414 2.855 1.00 0.00 C ATOM 526 SD MET A 109 2.564 -5.252 2.148 1.00 0.00 S ATOM 527 CE MET A 109 1.777 -6.868 1.980 1.00 0.00 C ATOM 0 H MET A 109 -0.163 -2.715 5.378 1.00 0.00 H new ATOM 0 HA MET A 109 -0.925 -5.074 4.050 1.00 0.00 H new ATOM 0 HB2 MET A 109 1.573 -3.665 4.834 1.00 0.00 H new ATOM 0 HB3 MET A 109 1.788 -5.396 4.664 1.00 0.00 H new ATOM 0 HG2 MET A 109 0.210 -4.840 2.451 1.00 0.00 H new ATOM 0 HG3 MET A 109 1.139 -3.359 2.580 1.00 0.00 H new ATOM 0 HE1 MET A 109 2.536 -7.649 2.023 1.00 0.00 H new ATOM 0 HE2 MET A 109 1.063 -7.011 2.791 1.00 0.00 H new ATOM 0 HE3 MET A 109 1.256 -6.921 1.024 1.00 0.00 H new ATOM 537 N THR A 110 -0.614 -5.650 7.151 1.00 0.00 N ATOM 538 CA THR A 110 -0.611 -6.720 8.192 1.00 0.00 C ATOM 539 C THR A 110 -2.044 -7.230 8.463 1.00 0.00 C ATOM 540 O THR A 110 -2.235 -8.334 8.934 1.00 0.00 O ATOM 541 CB THR A 110 -0.002 -6.134 9.475 1.00 0.00 C ATOM 542 OG1 THR A 110 1.414 -6.221 9.399 1.00 0.00 O ATOM 543 CG2 THR A 110 -0.490 -6.905 10.701 1.00 0.00 C ATOM 0 H THR A 110 -0.888 -4.725 7.483 1.00 0.00 H new ATOM 0 HA THR A 110 -0.022 -7.569 7.846 1.00 0.00 H new ATOM 0 HB THR A 110 -0.311 -5.093 9.570 1.00 0.00 H new ATOM 0 HG1 THR A 110 1.803 -5.329 9.513 1.00 0.00 H new ATOM 0 HG21 THR A 110 -0.048 -6.476 11.600 1.00 0.00 H new ATOM 0 HG22 THR A 110 -1.576 -6.839 10.763 1.00 0.00 H new ATOM 0 HG23 THR A 110 -0.194 -7.951 10.615 1.00 0.00 H new ATOM 551 N ASN A 111 -3.046 -6.440 8.189 1.00 0.00 N ATOM 552 CA ASN A 111 -4.450 -6.889 8.450 1.00 0.00 C ATOM 553 C ASN A 111 -5.045 -7.513 7.183 1.00 0.00 C ATOM 554 O ASN A 111 -5.229 -8.711 7.101 1.00 0.00 O ATOM 555 CB ASN A 111 -5.297 -5.686 8.873 1.00 0.00 C ATOM 556 CG ASN A 111 -4.569 -4.910 9.972 1.00 0.00 C ATOM 557 OD1 ASN A 111 -3.786 -5.473 10.710 1.00 0.00 O ATOM 558 ND2 ASN A 111 -4.794 -3.633 10.111 1.00 0.00 N ATOM 0 H ASN A 111 -2.957 -5.503 7.796 1.00 0.00 H new ATOM 0 HA ASN A 111 -4.446 -7.634 9.246 1.00 0.00 H new ATOM 0 HB2 ASN A 111 -5.481 -5.038 8.016 1.00 0.00 H new ATOM 0 HB3 ASN A 111 -6.270 -6.021 9.233 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -4.312 -3.107 10.840 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -5.452 -3.161 9.491 1.00 0.00 H new ATOM 565 N LEU A 112 -5.357 -6.702 6.204 1.00 0.00 N ATOM 566 CA LEU A 112 -5.945 -7.223 4.930 1.00 0.00 C ATOM 567 C LEU A 112 -5.291 -8.556 4.536 1.00 0.00 C ATOM 568 O LEU A 112 -4.275 -8.948 5.076 1.00 0.00 O ATOM 569 CB LEU A 112 -5.770 -6.200 3.780 1.00 0.00 C ATOM 570 CG LEU A 112 -4.433 -5.426 3.862 1.00 0.00 C ATOM 571 CD1 LEU A 112 -4.636 -4.116 4.636 1.00 0.00 C ATOM 572 CD2 LEU A 112 -3.344 -6.291 4.510 1.00 0.00 C ATOM 0 H LEU A 112 -5.228 -5.691 6.232 1.00 0.00 H new ATOM 0 HA LEU A 112 -7.010 -7.384 5.099 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -5.824 -6.722 2.825 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -6.597 -5.490 3.803 1.00 0.00 H new ATOM 0 HG LEU A 112 -4.102 -5.183 2.853 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -3.691 -3.575 4.690 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -5.377 -3.502 4.124 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -4.985 -4.339 5.644 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -2.412 -5.727 4.558 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -3.652 -6.569 5.518 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -3.193 -7.192 3.915 1.00 0.00 H new ATOM 584 N GLY A 113 -5.883 -9.248 3.593 1.00 0.00 N ATOM 585 CA GLY A 113 -5.344 -10.568 3.130 1.00 0.00 C ATOM 586 C GLY A 113 -3.823 -10.641 3.301 1.00 0.00 C ATOM 587 O GLY A 113 -3.291 -11.642 3.736 1.00 0.00 O ATOM 0 H GLY A 113 -6.733 -8.949 3.115 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -5.814 -11.373 3.695 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -5.602 -10.721 2.082 1.00 0.00 H new ATOM 591 N GLU A 114 -3.118 -9.598 2.963 1.00 0.00 N ATOM 592 CA GLU A 114 -1.634 -9.634 3.112 1.00 0.00 C ATOM 593 C GLU A 114 -1.274 -10.230 4.475 1.00 0.00 C ATOM 594 O GLU A 114 -1.016 -11.411 4.597 1.00 0.00 O ATOM 595 CB GLU A 114 -1.069 -8.218 3.009 1.00 0.00 C ATOM 596 CG GLU A 114 -1.265 -7.691 1.586 1.00 0.00 C ATOM 597 CD GLU A 114 -0.502 -8.580 0.602 1.00 0.00 C ATOM 598 OE1 GLU A 114 0.555 -9.066 0.969 1.00 0.00 O ATOM 599 OE2 GLU A 114 -0.988 -8.759 -0.503 1.00 0.00 O ATOM 0 H GLU A 114 -3.500 -8.728 2.593 1.00 0.00 H new ATOM 0 HA GLU A 114 -1.207 -10.249 2.320 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -1.569 -7.563 3.723 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -0.009 -8.219 3.265 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -2.325 -7.679 1.334 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -0.909 -6.663 1.515 1.00 0.00 H new ATOM 606 N LYS A 115 -1.258 -9.426 5.502 1.00 0.00 N ATOM 607 CA LYS A 115 -0.921 -9.953 6.854 1.00 0.00 C ATOM 608 C LYS A 115 0.455 -10.626 6.825 1.00 0.00 C ATOM 609 O LYS A 115 0.586 -11.781 6.469 1.00 0.00 O ATOM 610 CB LYS A 115 -1.980 -10.971 7.278 1.00 0.00 C ATOM 611 CG LYS A 115 -1.712 -11.423 8.714 1.00 0.00 C ATOM 612 CD LYS A 115 -2.869 -12.299 9.196 1.00 0.00 C ATOM 613 CE LYS A 115 -4.083 -11.419 9.489 1.00 0.00 C ATOM 614 NZ LYS A 115 -5.252 -11.908 8.706 1.00 0.00 N ATOM 0 H LYS A 115 -1.464 -8.428 5.463 1.00 0.00 H new ATOM 0 HA LYS A 115 -0.898 -9.128 7.566 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -2.974 -10.529 7.205 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -1.963 -11.830 6.607 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -0.776 -11.979 8.763 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -1.602 -10.556 9.365 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -3.118 -13.041 8.438 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -2.577 -12.845 10.093 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -4.311 -11.439 10.555 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -3.866 -10.383 9.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -6.078 -11.309 8.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -5.031 -11.867 7.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -5.463 -12.890 8.975 1.00 0.00 H new ATOM 628 N LEU A 116 1.479 -9.912 7.207 1.00 0.00 N ATOM 629 CA LEU A 116 2.847 -10.503 7.215 1.00 0.00 C ATOM 630 C LEU A 116 3.587 -10.010 8.466 1.00 0.00 C ATOM 631 O LEU A 116 3.169 -10.262 9.578 1.00 0.00 O ATOM 632 CB LEU A 116 3.594 -10.068 5.950 1.00 0.00 C ATOM 633 CG LEU A 116 3.438 -8.558 5.750 1.00 0.00 C ATOM 634 CD1 LEU A 116 4.669 -8.010 5.027 1.00 0.00 C ATOM 635 CD2 LEU A 116 2.195 -8.287 4.904 1.00 0.00 C ATOM 0 H LEU A 116 1.426 -8.941 7.515 1.00 0.00 H new ATOM 0 HA LEU A 116 2.791 -11.591 7.232 1.00 0.00 H new ATOM 0 HB2 LEU A 116 4.650 -10.326 6.033 1.00 0.00 H new ATOM 0 HB3 LEU A 116 3.203 -10.601 5.084 1.00 0.00 H new ATOM 0 HG LEU A 116 3.337 -8.070 6.720 1.00 0.00 H new ATOM 0 HD11 LEU A 116 4.559 -6.935 4.884 1.00 0.00 H new ATOM 0 HD12 LEU A 116 5.559 -8.207 5.624 1.00 0.00 H new ATOM 0 HD13 LEU A 116 4.768 -8.497 4.057 1.00 0.00 H new ATOM 0 HD21 LEU A 116 2.080 -7.213 4.759 1.00 0.00 H new ATOM 0 HD22 LEU A 116 2.301 -8.774 3.935 1.00 0.00 H new ATOM 0 HD23 LEU A 116 1.315 -8.680 5.413 1.00 0.00 H new ATOM 647 N THR A 117 4.672 -9.295 8.304 1.00 0.00 N ATOM 648 CA THR A 117 5.409 -8.783 9.488 1.00 0.00 C ATOM 649 C THR A 117 5.584 -7.275 9.331 1.00 0.00 C ATOM 650 O THR A 117 5.383 -6.728 8.264 1.00 0.00 O ATOM 651 CB THR A 117 6.782 -9.457 9.574 1.00 0.00 C ATOM 652 OG1 THR A 117 6.706 -10.753 8.997 1.00 0.00 O ATOM 653 CG2 THR A 117 7.206 -9.572 11.040 1.00 0.00 C ATOM 0 H THR A 117 5.075 -9.046 7.401 1.00 0.00 H new ATOM 0 HA THR A 117 4.853 -9.003 10.399 1.00 0.00 H new ATOM 0 HB THR A 117 7.516 -8.860 9.033 1.00 0.00 H new ATOM 0 HG1 THR A 117 7.584 -11.186 9.049 1.00 0.00 H new ATOM 0 HG21 THR A 117 8.183 -10.052 11.100 1.00 0.00 H new ATOM 0 HG22 THR A 117 7.263 -8.577 11.481 1.00 0.00 H new ATOM 0 HG23 THR A 117 6.475 -10.169 11.584 1.00 0.00 H new ATOM 661 N ASP A 118 5.950 -6.591 10.375 1.00 0.00 N ATOM 662 CA ASP A 118 6.126 -5.117 10.262 1.00 0.00 C ATOM 663 C ASP A 118 7.542 -4.808 9.774 1.00 0.00 C ATOM 664 O ASP A 118 7.840 -3.701 9.372 1.00 0.00 O ATOM 665 CB ASP A 118 5.900 -4.470 11.629 1.00 0.00 C ATOM 666 CG ASP A 118 4.579 -4.968 12.217 1.00 0.00 C ATOM 667 OD1 ASP A 118 4.502 -6.144 12.542 1.00 0.00 O ATOM 668 OD2 ASP A 118 3.665 -4.169 12.332 1.00 0.00 O ATOM 0 H ASP A 118 6.134 -6.985 11.298 1.00 0.00 H new ATOM 0 HA ASP A 118 5.404 -4.718 9.550 1.00 0.00 H new ATOM 0 HB2 ASP A 118 6.724 -4.714 12.300 1.00 0.00 H new ATOM 0 HB3 ASP A 118 5.880 -3.385 11.531 1.00 0.00 H new ATOM 673 N GLU A 119 8.418 -5.775 9.801 1.00 0.00 N ATOM 674 CA GLU A 119 9.809 -5.521 9.334 1.00 0.00 C ATOM 675 C GLU A 119 9.901 -5.797 7.834 1.00 0.00 C ATOM 676 O GLU A 119 10.665 -5.172 7.126 1.00 0.00 O ATOM 677 CB GLU A 119 10.782 -6.432 10.084 1.00 0.00 C ATOM 678 CG GLU A 119 10.267 -7.872 10.049 1.00 0.00 C ATOM 679 CD GLU A 119 11.445 -8.835 10.203 1.00 0.00 C ATOM 680 OE1 GLU A 119 12.376 -8.493 10.914 1.00 0.00 O ATOM 681 OE2 GLU A 119 11.397 -9.900 9.608 1.00 0.00 O ATOM 0 H GLU A 119 8.232 -6.724 10.124 1.00 0.00 H new ATOM 0 HA GLU A 119 10.070 -4.481 9.529 1.00 0.00 H new ATOM 0 HB2 GLU A 119 11.771 -6.378 9.629 1.00 0.00 H new ATOM 0 HB3 GLU A 119 10.887 -6.098 11.116 1.00 0.00 H new ATOM 0 HG2 GLU A 119 9.545 -8.032 10.850 1.00 0.00 H new ATOM 0 HG3 GLU A 119 9.748 -8.062 9.110 1.00 0.00 H new ATOM 688 N GLU A 120 9.128 -6.722 7.337 1.00 0.00 N ATOM 689 CA GLU A 120 9.176 -7.020 5.879 1.00 0.00 C ATOM 690 C GLU A 120 8.349 -5.973 5.134 1.00 0.00 C ATOM 691 O GLU A 120 8.665 -5.585 4.027 1.00 0.00 O ATOM 692 CB GLU A 120 8.596 -8.410 5.615 1.00 0.00 C ATOM 693 CG GLU A 120 8.994 -9.357 6.748 1.00 0.00 C ATOM 694 CD GLU A 120 9.649 -10.607 6.157 1.00 0.00 C ATOM 695 OE1 GLU A 120 9.133 -11.114 5.175 1.00 0.00 O ATOM 696 OE2 GLU A 120 10.657 -11.035 6.695 1.00 0.00 O ATOM 0 H GLU A 120 8.467 -7.283 7.875 1.00 0.00 H new ATOM 0 HA GLU A 120 10.209 -6.994 5.533 1.00 0.00 H new ATOM 0 HB2 GLU A 120 7.510 -8.353 5.540 1.00 0.00 H new ATOM 0 HB3 GLU A 120 8.962 -8.793 4.662 1.00 0.00 H new ATOM 0 HG2 GLU A 120 9.684 -8.858 7.429 1.00 0.00 H new ATOM 0 HG3 GLU A 120 8.116 -9.634 7.331 1.00 0.00 H new ATOM 703 N VAL A 121 7.287 -5.514 5.737 1.00 0.00 N ATOM 704 CA VAL A 121 6.432 -4.492 5.071 1.00 0.00 C ATOM 705 C VAL A 121 7.065 -3.109 5.231 1.00 0.00 C ATOM 706 O VAL A 121 7.094 -2.318 4.310 1.00 0.00 O ATOM 707 CB VAL A 121 5.038 -4.493 5.706 1.00 0.00 C ATOM 708 CG1 VAL A 121 5.140 -4.233 7.208 1.00 0.00 C ATOM 709 CG2 VAL A 121 4.191 -3.397 5.062 1.00 0.00 C ATOM 0 H VAL A 121 6.974 -5.803 6.664 1.00 0.00 H new ATOM 0 HA VAL A 121 6.347 -4.731 4.011 1.00 0.00 H new ATOM 0 HB VAL A 121 4.575 -5.467 5.545 1.00 0.00 H new ATOM 0 HG11 VAL A 121 4.142 -4.236 7.646 1.00 0.00 H new ATOM 0 HG12 VAL A 121 5.743 -5.013 7.672 1.00 0.00 H new ATOM 0 HG13 VAL A 121 5.608 -3.263 7.378 1.00 0.00 H new ATOM 0 HG21 VAL A 121 3.198 -3.394 5.511 1.00 0.00 H new ATOM 0 HG22 VAL A 121 4.665 -2.429 5.223 1.00 0.00 H new ATOM 0 HG23 VAL A 121 4.105 -3.585 3.992 1.00 0.00 H new ATOM 719 N ASP A 122 7.567 -2.810 6.397 1.00 0.00 N ATOM 720 CA ASP A 122 8.192 -1.474 6.619 1.00 0.00 C ATOM 721 C ASP A 122 9.444 -1.330 5.749 1.00 0.00 C ATOM 722 O ASP A 122 9.625 -0.338 5.071 1.00 0.00 O ATOM 723 CB ASP A 122 8.576 -1.331 8.093 1.00 0.00 C ATOM 724 CG ASP A 122 8.951 0.123 8.386 1.00 0.00 C ATOM 725 OD1 ASP A 122 8.104 0.981 8.202 1.00 0.00 O ATOM 726 OD2 ASP A 122 10.079 0.354 8.788 1.00 0.00 O ATOM 0 H ASP A 122 7.572 -3.432 7.206 1.00 0.00 H new ATOM 0 HA ASP A 122 7.478 -0.696 6.348 1.00 0.00 H new ATOM 0 HB2 ASP A 122 7.744 -1.638 8.727 1.00 0.00 H new ATOM 0 HB3 ASP A 122 9.414 -1.988 8.326 1.00 0.00 H new ATOM 731 N GLU A 123 10.312 -2.303 5.764 1.00 0.00 N ATOM 732 CA GLU A 123 11.550 -2.207 4.941 1.00 0.00 C ATOM 733 C GLU A 123 11.181 -2.221 3.457 1.00 0.00 C ATOM 734 O GLU A 123 11.751 -1.504 2.659 1.00 0.00 O ATOM 735 CB GLU A 123 12.467 -3.390 5.252 1.00 0.00 C ATOM 736 CG GLU A 123 13.642 -2.911 6.108 1.00 0.00 C ATOM 737 CD GLU A 123 13.236 -2.917 7.583 1.00 0.00 C ATOM 738 OE1 GLU A 123 12.061 -2.736 7.854 1.00 0.00 O ATOM 739 OE2 GLU A 123 14.108 -3.101 8.416 1.00 0.00 O ATOM 0 H GLU A 123 10.218 -3.160 6.310 1.00 0.00 H new ATOM 0 HA GLU A 123 12.068 -1.277 5.176 1.00 0.00 H new ATOM 0 HB2 GLU A 123 11.912 -4.166 5.779 1.00 0.00 H new ATOM 0 HB3 GLU A 123 12.834 -3.833 4.326 1.00 0.00 H new ATOM 0 HG2 GLU A 123 14.505 -3.559 5.955 1.00 0.00 H new ATOM 0 HG3 GLU A 123 13.940 -1.907 5.806 1.00 0.00 H new ATOM 746 N MET A 124 10.230 -3.030 3.079 1.00 0.00 N ATOM 747 CA MET A 124 9.826 -3.086 1.648 1.00 0.00 C ATOM 748 C MET A 124 9.146 -1.771 1.263 1.00 0.00 C ATOM 749 O MET A 124 8.956 -1.476 0.099 1.00 0.00 O ATOM 750 CB MET A 124 8.851 -4.246 1.439 1.00 0.00 C ATOM 751 CG MET A 124 8.775 -4.587 -0.048 1.00 0.00 C ATOM 752 SD MET A 124 9.501 -6.220 -0.331 1.00 0.00 S ATOM 753 CE MET A 124 11.206 -5.785 0.089 1.00 0.00 C ATOM 0 H MET A 124 9.716 -3.654 3.700 1.00 0.00 H new ATOM 0 HA MET A 124 10.707 -3.237 1.025 1.00 0.00 H new ATOM 0 HB2 MET A 124 9.179 -5.117 2.006 1.00 0.00 H new ATOM 0 HB3 MET A 124 7.863 -3.976 1.812 1.00 0.00 H new ATOM 0 HG2 MET A 124 7.737 -4.576 -0.382 1.00 0.00 H new ATOM 0 HG3 MET A 124 9.306 -3.835 -0.632 1.00 0.00 H new ATOM 0 HE1 MET A 124 11.875 -6.582 -0.234 1.00 0.00 H new ATOM 0 HE2 MET A 124 11.479 -4.857 -0.413 1.00 0.00 H new ATOM 0 HE3 MET A 124 11.293 -5.654 1.168 1.00 0.00 H new ATOM 763 N ILE A 125 8.776 -0.980 2.233 1.00 0.00 N ATOM 764 CA ILE A 125 8.105 0.315 1.926 1.00 0.00 C ATOM 765 C ILE A 125 9.090 1.243 1.210 1.00 0.00 C ATOM 766 O ILE A 125 8.703 2.066 0.411 1.00 0.00 O ATOM 767 CB ILE A 125 7.613 0.944 3.248 1.00 0.00 C ATOM 768 CG1 ILE A 125 6.164 1.396 3.087 1.00 0.00 C ATOM 769 CG2 ILE A 125 8.476 2.147 3.655 1.00 0.00 C ATOM 770 CD1 ILE A 125 5.254 0.398 3.788 1.00 0.00 C ATOM 0 H ILE A 125 8.909 -1.175 3.225 1.00 0.00 H new ATOM 0 HA ILE A 125 7.249 0.155 1.270 1.00 0.00 H new ATOM 0 HB ILE A 125 7.690 0.189 4.030 1.00 0.00 H new ATOM 0 HG12 ILE A 125 6.030 2.391 3.512 1.00 0.00 H new ATOM 0 HG13 ILE A 125 5.906 1.464 2.030 1.00 0.00 H new ATOM 0 HG21 ILE A 125 8.101 2.564 4.589 1.00 0.00 H new ATOM 0 HG22 ILE A 125 9.509 1.825 3.790 1.00 0.00 H new ATOM 0 HG23 ILE A 125 8.432 2.907 2.875 1.00 0.00 H new ATOM 0 HD11 ILE A 125 4.216 0.713 3.678 1.00 0.00 H new ATOM 0 HD12 ILE A 125 5.383 -0.588 3.342 1.00 0.00 H new ATOM 0 HD13 ILE A 125 5.510 0.354 4.847 1.00 0.00 H new ATOM 782 N ARG A 126 10.357 1.116 1.488 1.00 0.00 N ATOM 783 CA ARG A 126 11.353 1.995 0.815 1.00 0.00 C ATOM 784 C ARG A 126 11.158 1.904 -0.700 1.00 0.00 C ATOM 785 O ARG A 126 11.593 2.756 -1.449 1.00 0.00 O ATOM 786 CB ARG A 126 12.764 1.530 1.178 1.00 0.00 C ATOM 787 CG ARG A 126 12.844 1.273 2.685 1.00 0.00 C ATOM 788 CD ARG A 126 13.884 2.207 3.308 1.00 0.00 C ATOM 789 NE ARG A 126 13.650 2.297 4.776 1.00 0.00 N ATOM 790 CZ ARG A 126 13.987 3.379 5.425 1.00 0.00 C ATOM 791 NH1 ARG A 126 13.531 4.539 5.038 1.00 0.00 N ATOM 792 NH2 ARG A 126 14.778 3.300 6.460 1.00 0.00 N ATOM 0 H ARG A 126 10.745 0.444 2.150 1.00 0.00 H new ATOM 0 HA ARG A 126 11.216 3.026 1.140 1.00 0.00 H new ATOM 0 HB2 ARG A 126 13.011 0.621 0.630 1.00 0.00 H new ATOM 0 HB3 ARG A 126 13.494 2.286 0.888 1.00 0.00 H new ATOM 0 HG2 ARG A 126 11.870 1.438 3.145 1.00 0.00 H new ATOM 0 HG3 ARG A 126 13.114 0.234 2.874 1.00 0.00 H new ATOM 0 HD2 ARG A 126 14.889 1.834 3.111 1.00 0.00 H new ATOM 0 HD3 ARG A 126 13.817 3.197 2.856 1.00 0.00 H new ATOM 0 HE ARG A 126 13.227 1.514 5.274 1.00 0.00 H new ATOM 0 HH11 ARG A 126 12.912 4.600 4.229 1.00 0.00 H new ATOM 0 HH12 ARG A 126 13.793 5.385 5.544 1.00 0.00 H new ATOM 0 HH21 ARG A 126 15.133 2.393 6.762 1.00 0.00 H new ATOM 0 HH22 ARG A 126 15.041 4.145 6.967 1.00 0.00 H new ATOM 806 N GLU A 127 10.506 0.867 -1.151 1.00 0.00 N ATOM 807 CA GLU A 127 10.275 0.692 -2.610 1.00 0.00 C ATOM 808 C GLU A 127 9.051 1.500 -3.056 1.00 0.00 C ATOM 809 O GLU A 127 9.048 2.108 -4.108 1.00 0.00 O ATOM 810 CB GLU A 127 10.017 -0.788 -2.886 1.00 0.00 C ATOM 811 CG GLU A 127 9.662 -0.982 -4.362 1.00 0.00 C ATOM 812 CD GLU A 127 10.871 -1.552 -5.107 1.00 0.00 C ATOM 813 OE1 GLU A 127 11.929 -0.949 -5.026 1.00 0.00 O ATOM 814 OE2 GLU A 127 10.718 -2.580 -5.746 1.00 0.00 O ATOM 0 H GLU A 127 10.121 0.127 -0.564 1.00 0.00 H new ATOM 0 HA GLU A 127 11.150 1.041 -3.159 1.00 0.00 H new ATOM 0 HB2 GLU A 127 10.901 -1.374 -2.634 1.00 0.00 H new ATOM 0 HB3 GLU A 127 9.204 -1.149 -2.256 1.00 0.00 H new ATOM 0 HG2 GLU A 127 8.812 -1.657 -4.457 1.00 0.00 H new ATOM 0 HG3 GLU A 127 9.365 -0.031 -4.804 1.00 0.00 H new ATOM 821 N ALA A 128 8.004 1.490 -2.278 1.00 0.00 N ATOM 822 CA ALA A 128 6.771 2.233 -2.671 1.00 0.00 C ATOM 823 C ALA A 128 6.714 3.591 -1.964 1.00 0.00 C ATOM 824 O ALA A 128 5.747 4.316 -2.078 1.00 0.00 O ATOM 825 CB ALA A 128 5.548 1.406 -2.267 1.00 0.00 C ATOM 0 H ALA A 128 7.948 0.999 -1.386 1.00 0.00 H new ATOM 0 HA ALA A 128 6.782 2.398 -3.748 1.00 0.00 H new ATOM 0 HB1 ALA A 128 4.640 1.938 -2.549 1.00 0.00 H new ATOM 0 HB2 ALA A 128 5.576 0.442 -2.775 1.00 0.00 H new ATOM 0 HB3 ALA A 128 5.556 1.248 -1.189 1.00 0.00 H new ATOM 831 N ASP A 129 7.732 3.943 -1.232 1.00 0.00 N ATOM 832 CA ASP A 129 7.718 5.252 -0.520 1.00 0.00 C ATOM 833 C ASP A 129 8.357 6.331 -1.395 1.00 0.00 C ATOM 834 O ASP A 129 7.934 7.470 -1.404 1.00 0.00 O ATOM 835 CB ASP A 129 8.495 5.123 0.791 1.00 0.00 C ATOM 836 CG ASP A 129 7.951 6.126 1.809 1.00 0.00 C ATOM 837 OD1 ASP A 129 6.888 5.872 2.352 1.00 0.00 O ATOM 838 OD2 ASP A 129 8.605 7.133 2.028 1.00 0.00 O ATOM 0 H ASP A 129 8.573 3.382 -1.095 1.00 0.00 H new ATOM 0 HA ASP A 129 6.687 5.535 -0.307 1.00 0.00 H new ATOM 0 HB2 ASP A 129 8.405 4.109 1.181 1.00 0.00 H new ATOM 0 HB3 ASP A 129 9.555 5.305 0.617 1.00 0.00 H new ATOM 893 N GLY A 134 4.533 12.151 -1.919 1.00 0.00 N ATOM 894 CA GLY A 134 3.567 11.051 -1.639 1.00 0.00 C ATOM 895 C GLY A 134 4.327 9.793 -1.213 1.00 0.00 C ATOM 896 O GLY A 134 4.868 9.077 -2.032 1.00 0.00 O ATOM 0 HA2 GLY A 134 2.875 11.353 -0.853 1.00 0.00 H new ATOM 0 HA3 GLY A 134 2.970 10.844 -2.527 1.00 0.00 H new ATOM 900 N GLN A 135 4.372 9.518 0.064 1.00 0.00 N ATOM 901 CA GLN A 135 5.095 8.304 0.543 1.00 0.00 C ATOM 902 C GLN A 135 4.693 7.103 -0.314 1.00 0.00 C ATOM 903 O GLN A 135 5.241 6.879 -1.375 1.00 0.00 O ATOM 904 CB GLN A 135 4.732 8.041 2.006 1.00 0.00 C ATOM 905 CG GLN A 135 5.239 9.196 2.872 1.00 0.00 C ATOM 906 CD GLN A 135 6.764 9.130 2.968 1.00 0.00 C ATOM 907 OE1 GLN A 135 7.453 9.287 1.981 1.00 0.00 O ATOM 908 NE2 GLN A 135 7.323 8.905 4.126 1.00 0.00 N ATOM 0 H GLN A 135 3.939 10.082 0.796 1.00 0.00 H new ATOM 0 HA GLN A 135 6.171 8.461 0.461 1.00 0.00 H new ATOM 0 HB2 GLN A 135 3.652 7.940 2.111 1.00 0.00 H new ATOM 0 HB3 GLN A 135 5.174 7.102 2.338 1.00 0.00 H new ATOM 0 HG2 GLN A 135 4.932 10.149 2.442 1.00 0.00 H new ATOM 0 HG3 GLN A 135 4.798 9.139 3.867 1.00 0.00 H new ATOM 0 HE21 GLN A 135 6.744 8.773 4.955 1.00 0.00 H new ATOM 0 HE22 GLN A 135 8.339 8.861 4.202 1.00 0.00 H new ATOM 917 N VAL A 136 3.744 6.320 0.128 1.00 0.00 N ATOM 918 CA VAL A 136 3.331 5.142 -0.684 1.00 0.00 C ATOM 919 C VAL A 136 1.839 5.240 -1.002 1.00 0.00 C ATOM 920 O VAL A 136 0.998 4.844 -0.218 1.00 0.00 O ATOM 921 CB VAL A 136 3.630 3.850 0.091 1.00 0.00 C ATOM 922 CG1 VAL A 136 3.498 4.111 1.594 1.00 0.00 C ATOM 923 CG2 VAL A 136 2.654 2.739 -0.321 1.00 0.00 C ATOM 0 H VAL A 136 3.242 6.445 1.007 1.00 0.00 H new ATOM 0 HA VAL A 136 3.891 5.126 -1.619 1.00 0.00 H new ATOM 0 HB VAL A 136 4.646 3.531 -0.140 1.00 0.00 H new ATOM 0 HG11 VAL A 136 3.710 3.193 2.143 1.00 0.00 H new ATOM 0 HG12 VAL A 136 4.206 4.884 1.893 1.00 0.00 H new ATOM 0 HG13 VAL A 136 2.484 4.441 1.818 1.00 0.00 H new ATOM 0 HG21 VAL A 136 2.880 1.831 0.238 1.00 0.00 H new ATOM 0 HG22 VAL A 136 1.633 3.053 -0.105 1.00 0.00 H new ATOM 0 HG23 VAL A 136 2.755 2.543 -1.388 1.00 0.00 H new ATOM 933 N ASN A 137 1.506 5.743 -2.155 1.00 0.00 N ATOM 934 CA ASN A 137 0.074 5.840 -2.528 1.00 0.00 C ATOM 935 C ASN A 137 -0.419 4.451 -2.904 1.00 0.00 C ATOM 936 O ASN A 137 0.217 3.468 -2.599 1.00 0.00 O ATOM 937 CB ASN A 137 -0.087 6.796 -3.705 1.00 0.00 C ATOM 938 CG ASN A 137 1.018 6.535 -4.731 1.00 0.00 C ATOM 939 OD1 ASN A 137 0.901 5.527 -5.551 1.00 0.00 O flip ATOM 940 ND2 ASN A 137 1.996 7.253 -4.786 1.00 0.00 N flip ATOM 0 H ASN A 137 2.164 6.090 -2.853 1.00 0.00 H new ATOM 0 HA ASN A 137 -0.510 6.223 -1.691 1.00 0.00 H new ATOM 0 HB2 ASN A 137 -1.065 6.660 -4.166 1.00 0.00 H new ATOM 0 HB3 ASN A 137 -0.039 7.828 -3.358 1.00 0.00 H new ATOM 0 HD21 ASN A 137 2.087 8.041 -4.145 1.00 0.00 H new ATOM 0 HD22 ASN A 137 2.726 7.068 -5.474 1.00 0.00 H new ATOM 947 N TYR A 138 -1.542 4.352 -3.552 1.00 0.00 N ATOM 948 CA TYR A 138 -2.052 3.008 -3.929 1.00 0.00 C ATOM 949 C TYR A 138 -1.296 2.505 -5.143 1.00 0.00 C ATOM 950 O TYR A 138 -0.833 1.389 -5.182 1.00 0.00 O ATOM 951 CB TYR A 138 -3.531 3.104 -4.279 1.00 0.00 C ATOM 952 CG TYR A 138 -4.301 3.658 -3.110 1.00 0.00 C ATOM 953 CD1 TYR A 138 -3.668 3.891 -1.880 1.00 0.00 C ATOM 954 CD2 TYR A 138 -5.654 3.931 -3.262 1.00 0.00 C ATOM 955 CE1 TYR A 138 -4.401 4.397 -0.805 1.00 0.00 C ATOM 956 CE2 TYR A 138 -6.391 4.439 -2.189 1.00 0.00 C ATOM 957 CZ TYR A 138 -5.765 4.672 -0.957 1.00 0.00 C ATOM 958 OH TYR A 138 -6.488 5.170 0.105 1.00 0.00 O ATOM 0 H TYR A 138 -2.126 5.138 -3.836 1.00 0.00 H new ATOM 0 HA TYR A 138 -1.913 2.323 -3.092 1.00 0.00 H new ATOM 0 HB2 TYR A 138 -3.666 3.744 -5.151 1.00 0.00 H new ATOM 0 HB3 TYR A 138 -3.915 2.119 -4.544 1.00 0.00 H new ATOM 0 HD1 TYR A 138 -2.615 3.679 -1.765 1.00 0.00 H new ATOM 0 HD2 TYR A 138 -6.137 3.750 -4.211 1.00 0.00 H new ATOM 0 HE1 TYR A 138 -3.916 4.576 0.143 1.00 0.00 H new ATOM 0 HE2 TYR A 138 -7.443 4.652 -2.309 1.00 0.00 H new ATOM 0 HH TYR A 138 -7.419 5.307 -0.168 1.00 0.00 H new ATOM 968 N GLU A 139 -1.176 3.318 -6.141 1.00 0.00 N ATOM 969 CA GLU A 139 -0.457 2.876 -7.357 1.00 0.00 C ATOM 970 C GLU A 139 0.853 2.200 -6.943 1.00 0.00 C ATOM 971 O GLU A 139 1.337 1.302 -7.604 1.00 0.00 O ATOM 972 CB GLU A 139 -0.152 4.079 -8.256 1.00 0.00 C ATOM 973 CG GLU A 139 -1.330 5.055 -8.233 1.00 0.00 C ATOM 974 CD GLU A 139 -1.459 5.735 -9.597 1.00 0.00 C ATOM 975 OE1 GLU A 139 -1.713 5.035 -10.564 1.00 0.00 O ATOM 976 OE2 GLU A 139 -1.302 6.944 -9.652 1.00 0.00 O ATOM 0 H GLU A 139 -1.543 4.269 -6.170 1.00 0.00 H new ATOM 0 HA GLU A 139 -1.080 2.173 -7.910 1.00 0.00 H new ATOM 0 HB2 GLU A 139 0.754 4.580 -7.914 1.00 0.00 H new ATOM 0 HB3 GLU A 139 0.035 3.744 -9.276 1.00 0.00 H new ATOM 0 HG2 GLU A 139 -2.251 4.524 -7.992 1.00 0.00 H new ATOM 0 HG3 GLU A 139 -1.180 5.803 -7.455 1.00 0.00 H new ATOM 983 N GLU A 140 1.426 2.626 -5.849 1.00 0.00 N ATOM 984 CA GLU A 140 2.701 2.014 -5.381 1.00 0.00 C ATOM 985 C GLU A 140 2.400 1.014 -4.259 1.00 0.00 C ATOM 986 O GLU A 140 3.158 0.102 -4.002 1.00 0.00 O ATOM 987 CB GLU A 140 3.628 3.110 -4.852 1.00 0.00 C ATOM 988 CG GLU A 140 4.749 3.361 -5.862 1.00 0.00 C ATOM 989 CD GLU A 140 4.770 4.843 -6.244 1.00 0.00 C ATOM 990 OE1 GLU A 140 3.730 5.474 -6.144 1.00 0.00 O ATOM 991 OE2 GLU A 140 5.823 5.321 -6.628 1.00 0.00 O ATOM 0 H GLU A 140 1.064 3.374 -5.258 1.00 0.00 H new ATOM 0 HA GLU A 140 3.186 1.498 -6.210 1.00 0.00 H new ATOM 0 HB2 GLU A 140 3.064 4.027 -4.683 1.00 0.00 H new ATOM 0 HB3 GLU A 140 4.049 2.813 -3.892 1.00 0.00 H new ATOM 0 HG2 GLU A 140 5.709 3.071 -5.435 1.00 0.00 H new ATOM 0 HG3 GLU A 140 4.597 2.748 -6.750 1.00 0.00 H new ATOM 998 N PHE A 141 1.296 1.191 -3.588 1.00 0.00 N ATOM 999 CA PHE A 141 0.925 0.267 -2.475 1.00 0.00 C ATOM 1000 C PHE A 141 0.704 -1.142 -3.030 1.00 0.00 C ATOM 1001 O PHE A 141 1.097 -2.124 -2.435 1.00 0.00 O ATOM 1002 CB PHE A 141 -0.366 0.760 -1.817 1.00 0.00 C ATOM 1003 CG PHE A 141 -0.701 -0.111 -0.633 1.00 0.00 C ATOM 1004 CD1 PHE A 141 0.317 -0.574 0.202 1.00 0.00 C ATOM 1005 CD2 PHE A 141 -2.031 -0.455 -0.367 1.00 0.00 C ATOM 1006 CE1 PHE A 141 0.005 -1.374 1.302 1.00 0.00 C ATOM 1007 CE2 PHE A 141 -2.340 -1.260 0.735 1.00 0.00 C ATOM 1008 CZ PHE A 141 -1.319 -1.720 1.570 1.00 0.00 C ATOM 0 H PHE A 141 0.628 1.942 -3.763 1.00 0.00 H new ATOM 0 HA PHE A 141 1.728 0.245 -1.738 1.00 0.00 H new ATOM 0 HB2 PHE A 141 -0.249 1.795 -1.497 1.00 0.00 H new ATOM 0 HB3 PHE A 141 -1.183 0.739 -2.538 1.00 0.00 H new ATOM 0 HD1 PHE A 141 1.345 -0.313 -0.003 1.00 0.00 H new ATOM 0 HD2 PHE A 141 -2.820 -0.099 -1.013 1.00 0.00 H new ATOM 0 HE1 PHE A 141 0.794 -1.727 1.950 1.00 0.00 H new ATOM 0 HE2 PHE A 141 -3.367 -1.525 0.940 1.00 0.00 H new ATOM 0 HZ PHE A 141 -1.554 -2.342 2.421 1.00 0.00 H new ATOM 1018 N VAL A 142 0.077 -1.246 -4.168 1.00 0.00 N ATOM 1019 CA VAL A 142 -0.170 -2.581 -4.770 1.00 0.00 C ATOM 1020 C VAL A 142 1.175 -3.270 -5.014 1.00 0.00 C ATOM 1021 O VAL A 142 1.243 -4.462 -5.229 1.00 0.00 O ATOM 1022 CB VAL A 142 -0.915 -2.405 -6.097 1.00 0.00 C ATOM 1023 CG1 VAL A 142 -0.295 -1.246 -6.882 1.00 0.00 C ATOM 1024 CG2 VAL A 142 -0.816 -3.691 -6.922 1.00 0.00 C ATOM 0 H VAL A 142 -0.277 -0.457 -4.709 1.00 0.00 H new ATOM 0 HA VAL A 142 -0.775 -3.191 -4.099 1.00 0.00 H new ATOM 0 HB VAL A 142 -1.964 -2.188 -5.894 1.00 0.00 H new ATOM 0 HG11 VAL A 142 -0.825 -1.121 -7.826 1.00 0.00 H new ATOM 0 HG12 VAL A 142 -0.372 -0.329 -6.298 1.00 0.00 H new ATOM 0 HG13 VAL A 142 0.755 -1.462 -7.081 1.00 0.00 H new ATOM 0 HG21 VAL A 142 -1.347 -3.560 -7.865 1.00 0.00 H new ATOM 0 HG22 VAL A 142 0.232 -3.914 -7.124 1.00 0.00 H new ATOM 0 HG23 VAL A 142 -1.262 -4.516 -6.365 1.00 0.00 H new ATOM 1034 N GLN A 143 2.247 -2.523 -4.983 1.00 0.00 N ATOM 1035 CA GLN A 143 3.586 -3.133 -5.212 1.00 0.00 C ATOM 1036 C GLN A 143 3.958 -4.013 -4.018 1.00 0.00 C ATOM 1037 O GLN A 143 4.606 -5.026 -4.165 1.00 0.00 O ATOM 1038 CB GLN A 143 4.632 -2.029 -5.378 1.00 0.00 C ATOM 1039 CG GLN A 143 6.027 -2.653 -5.422 1.00 0.00 C ATOM 1040 CD GLN A 143 7.000 -1.684 -6.096 1.00 0.00 C ATOM 1041 OE1 GLN A 143 7.926 -2.101 -6.763 1.00 0.00 O ATOM 1042 NE2 GLN A 143 6.828 -0.399 -5.950 1.00 0.00 N ATOM 0 H GLN A 143 2.252 -1.518 -4.809 1.00 0.00 H new ATOM 0 HA GLN A 143 3.556 -3.741 -6.116 1.00 0.00 H new ATOM 0 HB2 GLN A 143 4.443 -1.469 -6.294 1.00 0.00 H new ATOM 0 HB3 GLN A 143 4.564 -1.321 -4.552 1.00 0.00 H new ATOM 0 HG2 GLN A 143 6.366 -2.882 -4.412 1.00 0.00 H new ATOM 0 HG3 GLN A 143 5.998 -3.595 -5.969 1.00 0.00 H new ATOM 0 HE21 GLN A 143 6.051 -0.049 -5.390 1.00 0.00 H new ATOM 0 HE22 GLN A 143 7.471 0.255 -6.396 1.00 0.00 H new ATOM 1051 N MET A 144 3.555 -3.635 -2.836 1.00 0.00 N ATOM 1052 CA MET A 144 3.889 -4.459 -1.639 1.00 0.00 C ATOM 1053 C MET A 144 3.068 -5.747 -1.673 1.00 0.00 C ATOM 1054 O MET A 144 3.600 -6.839 -1.681 1.00 0.00 O ATOM 1055 CB MET A 144 3.551 -3.690 -0.357 1.00 0.00 C ATOM 1056 CG MET A 144 3.966 -2.223 -0.493 1.00 0.00 C ATOM 1057 SD MET A 144 5.462 -1.928 0.482 1.00 0.00 S ATOM 1058 CE MET A 144 6.574 -1.604 -0.907 1.00 0.00 C ATOM 0 H MET A 144 3.010 -2.794 -2.647 1.00 0.00 H new ATOM 0 HA MET A 144 4.955 -4.688 -1.651 1.00 0.00 H new ATOM 0 HB2 MET A 144 2.482 -3.755 -0.157 1.00 0.00 H new ATOM 0 HB3 MET A 144 4.063 -4.143 0.492 1.00 0.00 H new ATOM 0 HG2 MET A 144 4.148 -1.981 -1.540 1.00 0.00 H new ATOM 0 HG3 MET A 144 3.161 -1.573 -0.150 1.00 0.00 H new ATOM 0 HE1 MET A 144 7.290 -2.420 -0.998 1.00 0.00 H new ATOM 0 HE2 MET A 144 5.994 -1.526 -1.827 1.00 0.00 H new ATOM 0 HE3 MET A 144 7.108 -0.670 -0.735 1.00 0.00 H new ATOM 1068 N MET A 145 1.769 -5.624 -1.681 1.00 0.00 N ATOM 1069 CA MET A 145 0.902 -6.838 -1.700 1.00 0.00 C ATOM 1070 C MET A 145 1.386 -7.809 -2.781 1.00 0.00 C ATOM 1071 O MET A 145 1.175 -9.001 -2.690 1.00 0.00 O ATOM 1072 CB MET A 145 -0.555 -6.444 -1.983 1.00 0.00 C ATOM 1073 CG MET A 145 -0.606 -5.140 -2.783 1.00 0.00 C ATOM 1074 SD MET A 145 -0.953 -3.761 -1.661 1.00 0.00 S ATOM 1075 CE MET A 145 -2.467 -4.434 -0.932 1.00 0.00 C ATOM 0 H MET A 145 1.269 -4.735 -1.675 1.00 0.00 H new ATOM 0 HA MET A 145 0.959 -7.323 -0.725 1.00 0.00 H new ATOM 0 HB2 MET A 145 -1.053 -7.239 -2.538 1.00 0.00 H new ATOM 0 HB3 MET A 145 -1.096 -6.324 -1.044 1.00 0.00 H new ATOM 0 HG2 MET A 145 0.342 -4.977 -3.295 1.00 0.00 H new ATOM 0 HG3 MET A 145 -1.377 -5.201 -3.551 1.00 0.00 H new ATOM 0 HE1 MET A 145 -3.216 -3.645 -0.855 1.00 0.00 H new ATOM 0 HE2 MET A 145 -2.849 -5.237 -1.563 1.00 0.00 H new ATOM 0 HE3 MET A 145 -2.249 -4.826 0.062 1.00 0.00 H new ATOM 1085 N THR A 146 2.031 -7.315 -3.802 1.00 0.00 N ATOM 1086 CA THR A 146 2.520 -8.224 -4.877 1.00 0.00 C ATOM 1087 C THR A 146 3.898 -7.765 -5.357 1.00 0.00 C ATOM 1088 O THR A 146 4.172 -7.722 -6.540 1.00 0.00 O ATOM 1089 CB THR A 146 1.536 -8.208 -6.051 1.00 0.00 C ATOM 1090 OG1 THR A 146 2.174 -8.728 -7.209 1.00 0.00 O ATOM 1091 CG2 THR A 146 1.075 -6.775 -6.320 1.00 0.00 C ATOM 0 H THR A 146 2.240 -6.326 -3.938 1.00 0.00 H new ATOM 0 HA THR A 146 2.597 -9.237 -4.482 1.00 0.00 H new ATOM 0 HB THR A 146 0.670 -8.823 -5.805 1.00 0.00 H new ATOM 0 HG1 THR A 146 2.828 -8.079 -7.541 1.00 0.00 H new ATOM 0 HG21 THR A 146 0.375 -6.769 -7.156 1.00 0.00 H new ATOM 0 HG22 THR A 146 0.583 -6.378 -5.432 1.00 0.00 H new ATOM 0 HG23 THR A 146 1.938 -6.155 -6.564 1.00 0.00 H new