USER MOD reduce.3.24.130724 H: found=0, std=0, add=439, rem=0, adj=10 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= -1.25! C(o=-7.2!,f=-5!) USER MOD Set 1.2: A 110 THR OG1 : rot -107:sc= -2.7! USER MOD Set 1.3: A 111 ASN : amide:sc= -1.02 X(o=-5,f=-5.5) USER MOD Single : A 97 ASN : amide:sc= -12.7! C(o=-13!,f=-22!) 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= -12.6! (180deg=-14.3!) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 THR OG1 : rot 180:sc= 0 USER MOD Single : A 124 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 135 GLN : amide:sc= -0.618 X(o=-0.62,f=-1.1) USER MOD Single : A 137 ASN : amide:sc= -3.03 K(o=-3,f=-5.8!) USER MOD Single : A 138 TYR OH : rot 154:sc= -7.69! USER MOD Single : A 143 GLN : amide:sc= -3.02 K(o=-3,f=-5.7!) USER MOD Single : A 144 MET CE :methyl 138:sc= -6.05! (180deg=-12.1!) USER MOD Single : A 145 MET CE :methyl 159:sc= -7.72! (180deg=-9.43!) USER MOD Single : A 146 THR OG1 : rot -56:sc= 0.404 USER MOD ----------------------------------------------------------------- ATOM 91 N GLU A 82 -6.576 -3.531 -7.457 1.00 0.00 N ATOM 92 CA GLU A 82 -6.618 -2.666 -6.243 1.00 0.00 C ATOM 93 C GLU A 82 -8.039 -2.648 -5.677 1.00 0.00 C ATOM 94 O GLU A 82 -8.323 -1.965 -4.715 1.00 0.00 O ATOM 95 CB GLU A 82 -6.188 -1.237 -6.594 1.00 0.00 C ATOM 96 CG GLU A 82 -5.286 -1.253 -7.830 1.00 0.00 C ATOM 97 CD GLU A 82 -4.438 0.020 -7.860 1.00 0.00 C ATOM 98 OE1 GLU A 82 -4.892 0.997 -8.430 1.00 0.00 O ATOM 99 OE2 GLU A 82 -3.347 -0.004 -7.311 1.00 0.00 O ATOM 0 HA GLU A 82 -5.932 -3.069 -5.498 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -7.066 -0.620 -6.782 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -5.659 -0.790 -5.752 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -4.641 -2.132 -7.811 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -5.891 -1.321 -8.734 1.00 0.00 H new ATOM 106 N GLU A 83 -8.935 -3.398 -6.256 1.00 0.00 N ATOM 107 CA GLU A 83 -10.328 -3.416 -5.729 1.00 0.00 C ATOM 108 C GLU A 83 -10.281 -3.668 -4.221 1.00 0.00 C ATOM 109 O GLU A 83 -11.040 -3.100 -3.460 1.00 0.00 O ATOM 110 CB GLU A 83 -11.127 -4.520 -6.421 1.00 0.00 C ATOM 111 CG GLU A 83 -10.706 -5.871 -5.858 1.00 0.00 C ATOM 112 CD GLU A 83 -11.316 -6.995 -6.698 1.00 0.00 C ATOM 113 OE1 GLU A 83 -12.404 -6.798 -7.215 1.00 0.00 O ATOM 114 OE2 GLU A 83 -10.685 -8.033 -6.810 1.00 0.00 O ATOM 0 H GLU A 83 -8.765 -3.995 -7.065 1.00 0.00 H new ATOM 0 HA GLU A 83 -10.813 -2.459 -5.925 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -12.195 -4.365 -6.266 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -10.954 -4.491 -7.497 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -9.619 -5.953 -5.859 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -11.032 -5.961 -4.822 1.00 0.00 H new ATOM 121 N GLU A 84 -9.388 -4.514 -3.786 1.00 0.00 N ATOM 122 CA GLU A 84 -9.276 -4.806 -2.330 1.00 0.00 C ATOM 123 C GLU A 84 -8.111 -4.003 -1.748 1.00 0.00 C ATOM 124 O GLU A 84 -7.987 -3.848 -0.549 1.00 0.00 O ATOM 125 CB GLU A 84 -9.015 -6.299 -2.128 1.00 0.00 C ATOM 126 CG GLU A 84 -10.198 -6.931 -1.392 1.00 0.00 C ATOM 127 CD GLU A 84 -10.266 -8.424 -1.721 1.00 0.00 C ATOM 128 OE1 GLU A 84 -9.342 -9.132 -1.360 1.00 0.00 O ATOM 129 OE2 GLU A 84 -11.242 -8.832 -2.330 1.00 0.00 O ATOM 0 H GLU A 84 -8.729 -5.017 -4.379 1.00 0.00 H new ATOM 0 HA GLU A 84 -10.203 -4.530 -1.827 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -8.870 -6.787 -3.092 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -8.098 -6.444 -1.556 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -10.089 -6.789 -0.317 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -11.126 -6.441 -1.685 1.00 0.00 H new ATOM 136 N ILE A 85 -7.254 -3.494 -2.591 1.00 0.00 N ATOM 137 CA ILE A 85 -6.093 -2.704 -2.095 1.00 0.00 C ATOM 138 C ILE A 85 -6.579 -1.368 -1.536 1.00 0.00 C ATOM 139 O ILE A 85 -6.384 -1.061 -0.377 1.00 0.00 O ATOM 140 CB ILE A 85 -5.129 -2.436 -3.249 1.00 0.00 C ATOM 141 CG1 ILE A 85 -4.554 -3.762 -3.753 1.00 0.00 C ATOM 142 CG2 ILE A 85 -3.995 -1.534 -2.760 1.00 0.00 C ATOM 143 CD1 ILE A 85 -3.450 -3.485 -4.776 1.00 0.00 C ATOM 0 H ILE A 85 -7.309 -3.592 -3.605 1.00 0.00 H new ATOM 0 HA ILE A 85 -5.587 -3.268 -1.311 1.00 0.00 H new ATOM 0 HB ILE A 85 -5.660 -1.943 -4.063 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -4.154 -4.338 -2.918 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -5.342 -4.363 -4.207 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -3.304 -1.340 -3.581 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -4.408 -0.591 -2.403 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -3.463 -2.027 -1.947 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -3.041 -4.430 -5.135 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -3.864 -2.927 -5.616 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -2.658 -2.901 -4.307 1.00 0.00 H new ATOM 155 N ARG A 86 -7.196 -0.563 -2.355 1.00 0.00 N ATOM 156 CA ARG A 86 -7.679 0.756 -1.870 1.00 0.00 C ATOM 157 C ARG A 86 -8.456 0.559 -0.562 1.00 0.00 C ATOM 158 O ARG A 86 -8.356 1.351 0.352 1.00 0.00 O ATOM 159 CB ARG A 86 -8.545 1.417 -2.966 1.00 0.00 C ATOM 160 CG ARG A 86 -10.012 1.541 -2.536 1.00 0.00 C ATOM 161 CD ARG A 86 -10.197 2.786 -1.664 1.00 0.00 C ATOM 162 NE ARG A 86 -11.629 3.192 -1.684 1.00 0.00 N ATOM 163 CZ ARG A 86 -12.045 4.072 -2.554 1.00 0.00 C ATOM 164 NH1 ARG A 86 -11.351 5.158 -2.765 1.00 0.00 N ATOM 165 NH2 ARG A 86 -13.150 3.866 -3.216 1.00 0.00 N ATOM 0 H ARG A 86 -7.386 -0.762 -3.337 1.00 0.00 H new ATOM 0 HA ARG A 86 -6.840 1.421 -1.663 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -8.149 2.406 -3.195 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -8.483 0.829 -3.882 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -10.653 1.604 -3.415 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -10.314 0.651 -1.984 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -9.880 2.579 -0.642 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -9.571 3.599 -2.033 1.00 0.00 H new ATOM 0 HE ARG A 86 -12.285 2.783 -1.018 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -10.485 5.318 -2.250 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -11.675 5.846 -3.444 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -13.691 3.016 -3.054 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -13.473 4.555 -3.895 1.00 0.00 H new ATOM 179 N GLU A 87 -9.217 -0.498 -0.458 1.00 0.00 N ATOM 180 CA GLU A 87 -9.973 -0.742 0.801 1.00 0.00 C ATOM 181 C GLU A 87 -8.961 -0.943 1.927 1.00 0.00 C ATOM 182 O GLU A 87 -9.111 -0.432 3.019 1.00 0.00 O ATOM 183 CB GLU A 87 -10.835 -2.000 0.649 1.00 0.00 C ATOM 184 CG GLU A 87 -11.286 -2.490 2.028 1.00 0.00 C ATOM 185 CD GLU A 87 -12.630 -3.209 1.902 1.00 0.00 C ATOM 186 OE1 GLU A 87 -12.833 -3.873 0.900 1.00 0.00 O ATOM 187 OE2 GLU A 87 -13.433 -3.083 2.812 1.00 0.00 O ATOM 0 H GLU A 87 -9.346 -1.199 -1.188 1.00 0.00 H new ATOM 0 HA GLU A 87 -10.625 0.103 1.023 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -11.704 -1.783 0.028 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -10.268 -2.781 0.143 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -10.539 -3.164 2.448 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -11.376 -1.647 2.713 1.00 0.00 H new ATOM 194 N ALA A 88 -7.919 -1.675 1.650 1.00 0.00 N ATOM 195 CA ALA A 88 -6.865 -1.910 2.673 1.00 0.00 C ATOM 196 C ALA A 88 -5.866 -0.763 2.606 1.00 0.00 C ATOM 197 O ALA A 88 -4.705 -0.952 2.315 1.00 0.00 O ATOM 198 CB ALA A 88 -6.144 -3.213 2.358 1.00 0.00 C ATOM 0 H ALA A 88 -7.752 -2.124 0.750 1.00 0.00 H new ATOM 0 HA ALA A 88 -7.311 -1.968 3.666 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -5.370 -3.390 3.105 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -6.858 -4.037 2.373 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -5.687 -3.146 1.371 1.00 0.00 H new ATOM 204 N PHE A 89 -6.318 0.425 2.856 1.00 0.00 N ATOM 205 CA PHE A 89 -5.413 1.599 2.786 1.00 0.00 C ATOM 206 C PHE A 89 -6.263 2.866 2.895 1.00 0.00 C ATOM 207 O PHE A 89 -5.785 3.913 3.287 1.00 0.00 O ATOM 208 CB PHE A 89 -4.664 1.579 1.447 1.00 0.00 C ATOM 209 CG PHE A 89 -3.180 1.786 1.670 1.00 0.00 C ATOM 210 CD1 PHE A 89 -2.554 1.254 2.799 1.00 0.00 C ATOM 211 CD2 PHE A 89 -2.428 2.517 0.743 1.00 0.00 C ATOM 212 CE1 PHE A 89 -1.186 1.452 2.998 1.00 0.00 C ATOM 213 CE2 PHE A 89 -1.065 2.716 0.940 1.00 0.00 C ATOM 214 CZ PHE A 89 -0.439 2.184 2.068 1.00 0.00 C ATOM 0 H PHE A 89 -7.283 0.638 3.108 1.00 0.00 H new ATOM 0 HA PHE A 89 -4.685 1.573 3.597 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -4.833 0.628 0.942 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -5.053 2.360 0.794 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -3.128 0.689 3.519 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -2.909 2.930 -0.131 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -0.703 1.039 3.872 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -0.492 3.282 0.220 1.00 0.00 H new ATOM 0 HZ PHE A 89 0.619 2.337 2.223 1.00 0.00 H new ATOM 224 N ARG A 90 -7.531 2.770 2.583 1.00 0.00 N ATOM 225 CA ARG A 90 -8.416 3.944 2.701 1.00 0.00 C ATOM 226 C ARG A 90 -8.504 4.304 4.175 1.00 0.00 C ATOM 227 O ARG A 90 -8.860 5.404 4.547 1.00 0.00 O ATOM 228 CB ARG A 90 -9.808 3.582 2.177 1.00 0.00 C ATOM 229 CG ARG A 90 -10.410 2.484 3.057 1.00 0.00 C ATOM 230 CD ARG A 90 -11.906 2.354 2.765 1.00 0.00 C ATOM 231 NE ARG A 90 -12.166 2.674 1.333 1.00 0.00 N ATOM 232 CZ ARG A 90 -13.199 3.403 1.007 1.00 0.00 C ATOM 233 NH1 ARG A 90 -13.096 4.704 0.975 1.00 0.00 N ATOM 234 NH2 ARG A 90 -14.336 2.831 0.714 1.00 0.00 N ATOM 0 H ARG A 90 -7.984 1.919 2.251 1.00 0.00 H new ATOM 0 HA ARG A 90 -8.029 4.783 2.123 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -10.451 4.462 2.182 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -9.743 3.241 1.144 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -9.908 1.535 2.866 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -10.254 2.721 4.109 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -12.244 1.342 2.989 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -12.472 3.029 3.407 1.00 0.00 H new ATOM 0 HE ARG A 90 -11.538 2.324 0.609 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -12.208 5.151 1.205 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -13.903 5.273 0.720 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -14.417 1.815 0.740 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -15.143 3.401 0.459 1.00 0.00 H new ATOM 248 N VAL A 91 -8.171 3.367 5.016 1.00 0.00 N ATOM 249 CA VAL A 91 -8.220 3.619 6.473 1.00 0.00 C ATOM 250 C VAL A 91 -7.414 4.875 6.787 1.00 0.00 C ATOM 251 O VAL A 91 -7.669 5.568 7.751 1.00 0.00 O ATOM 252 CB VAL A 91 -7.608 2.429 7.212 1.00 0.00 C ATOM 253 CG1 VAL A 91 -7.634 2.696 8.718 1.00 0.00 C ATOM 254 CG2 VAL A 91 -8.419 1.169 6.901 1.00 0.00 C ATOM 0 H VAL A 91 -7.865 2.431 4.750 1.00 0.00 H new ATOM 0 HA VAL A 91 -9.254 3.754 6.791 1.00 0.00 H new ATOM 0 HB VAL A 91 -6.577 2.288 6.888 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -7.198 1.848 9.245 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -7.059 3.595 8.938 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -8.664 2.836 9.045 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -7.985 0.318 7.426 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -9.450 1.310 7.227 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -8.401 0.980 5.828 1.00 0.00 H new ATOM 264 N PHE A 92 -6.433 5.165 5.979 1.00 0.00 N ATOM 265 CA PHE A 92 -5.597 6.363 6.223 1.00 0.00 C ATOM 266 C PHE A 92 -5.868 7.401 5.154 1.00 0.00 C ATOM 267 O PHE A 92 -5.966 8.568 5.449 1.00 0.00 O ATOM 268 CB PHE A 92 -4.139 5.959 6.179 1.00 0.00 C ATOM 269 CG PHE A 92 -3.956 4.784 7.093 1.00 0.00 C ATOM 270 CD1 PHE A 92 -4.050 4.970 8.470 1.00 0.00 C ATOM 271 CD2 PHE A 92 -3.699 3.517 6.568 1.00 0.00 C ATOM 272 CE1 PHE A 92 -3.887 3.882 9.337 1.00 0.00 C ATOM 273 CE2 PHE A 92 -3.534 2.425 7.428 1.00 0.00 C ATOM 274 CZ PHE A 92 -3.627 2.607 8.814 1.00 0.00 C ATOM 0 H PHE A 92 -6.176 4.618 5.157 1.00 0.00 H new ATOM 0 HA PHE A 92 -5.835 6.786 7.199 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -3.846 5.700 5.162 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -3.504 6.788 6.492 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -4.249 5.954 8.870 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -3.627 3.379 5.499 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -3.961 4.025 10.405 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -3.335 1.443 7.024 1.00 0.00 H new ATOM 0 HZ PHE A 92 -3.499 1.766 9.479 1.00 0.00 H new ATOM 284 N ASP A 93 -5.996 6.984 3.918 1.00 0.00 N ATOM 285 CA ASP A 93 -6.282 7.953 2.827 1.00 0.00 C ATOM 286 C ASP A 93 -7.549 8.720 3.215 1.00 0.00 C ATOM 287 O ASP A 93 -8.653 8.347 2.872 1.00 0.00 O ATOM 288 CB ASP A 93 -6.485 7.186 1.514 1.00 0.00 C ATOM 289 CG ASP A 93 -7.014 8.131 0.432 1.00 0.00 C ATOM 290 OD1 ASP A 93 -7.990 8.815 0.692 1.00 0.00 O ATOM 291 OD2 ASP A 93 -6.436 8.151 -0.642 1.00 0.00 O ATOM 0 H ASP A 93 -5.914 6.011 3.622 1.00 0.00 H new ATOM 0 HA ASP A 93 -5.458 8.652 2.686 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -5.542 6.743 1.192 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -7.187 6.366 1.667 1.00 0.00 H new ATOM 337 N ASN A 97 -6.021 11.145 -0.048 1.00 0.00 N ATOM 338 CA ASN A 97 -4.546 11.228 0.131 1.00 0.00 C ATOM 339 C ASN A 97 -3.898 10.096 -0.663 1.00 0.00 C ATOM 340 O ASN A 97 -3.177 10.325 -1.614 1.00 0.00 O ATOM 341 CB ASN A 97 -4.210 11.095 1.621 1.00 0.00 C ATOM 342 CG ASN A 97 -2.705 10.912 1.821 1.00 0.00 C ATOM 343 OD1 ASN A 97 -2.046 10.282 1.025 1.00 0.00 O ATOM 344 ND2 ASN A 97 -2.132 11.437 2.869 1.00 0.00 N ATOM 0 HA ASN A 97 -4.169 12.186 -0.228 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -4.548 11.983 2.156 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -4.744 10.245 2.045 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -1.130 11.316 3.017 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -2.686 11.968 3.541 1.00 0.00 H new ATOM 351 N GLY A 98 -4.154 8.875 -0.283 1.00 0.00 N ATOM 352 CA GLY A 98 -3.555 7.726 -1.018 1.00 0.00 C ATOM 353 C GLY A 98 -2.169 7.436 -0.448 1.00 0.00 C ATOM 354 O GLY A 98 -1.870 6.325 -0.053 1.00 0.00 O ATOM 0 H GLY A 98 -4.752 8.623 0.504 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -4.192 6.846 -0.924 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -3.484 7.956 -2.081 1.00 0.00 H new ATOM 358 N TYR A 99 -1.321 8.427 -0.400 1.00 0.00 N ATOM 359 CA TYR A 99 0.048 8.216 0.138 1.00 0.00 C ATOM 360 C TYR A 99 -0.007 8.163 1.662 1.00 0.00 C ATOM 361 O TYR A 99 -0.675 8.949 2.300 1.00 0.00 O ATOM 362 CB TYR A 99 0.950 9.376 -0.323 1.00 0.00 C ATOM 363 CG TYR A 99 0.964 10.489 0.709 1.00 0.00 C ATOM 364 CD1 TYR A 99 1.859 10.426 1.783 1.00 0.00 C ATOM 365 CD2 TYR A 99 0.091 11.581 0.590 1.00 0.00 C ATOM 366 CE1 TYR A 99 1.888 11.451 2.735 1.00 0.00 C ATOM 367 CE2 TYR A 99 0.119 12.605 1.545 1.00 0.00 C ATOM 368 CZ TYR A 99 1.018 12.541 2.615 1.00 0.00 C ATOM 369 OH TYR A 99 1.047 13.553 3.554 1.00 0.00 O ATOM 0 H TYR A 99 -1.521 9.377 -0.712 1.00 0.00 H new ATOM 0 HA TYR A 99 0.455 7.274 -0.231 1.00 0.00 H new ATOM 0 HB2 TYR A 99 1.964 9.012 -0.486 1.00 0.00 H new ATOM 0 HB3 TYR A 99 0.593 9.763 -1.278 1.00 0.00 H new ATOM 0 HD1 TYR A 99 2.529 9.584 1.877 1.00 0.00 H new ATOM 0 HD2 TYR A 99 -0.602 11.632 -0.237 1.00 0.00 H new ATOM 0 HE1 TYR A 99 2.581 11.401 3.562 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -0.554 13.445 1.455 1.00 0.00 H new ATOM 0 HH TYR A 99 0.381 14.233 3.322 1.00 0.00 H new ATOM 379 N ILE A 100 0.694 7.246 2.253 1.00 0.00 N ATOM 380 CA ILE A 100 0.672 7.163 3.729 1.00 0.00 C ATOM 381 C ILE A 100 2.069 6.824 4.253 1.00 0.00 C ATOM 382 O ILE A 100 2.988 6.588 3.496 1.00 0.00 O ATOM 383 CB ILE A 100 -0.353 6.119 4.177 1.00 0.00 C ATOM 384 CG1 ILE A 100 -0.638 5.097 3.063 1.00 0.00 C ATOM 385 CG2 ILE A 100 -1.656 6.838 4.532 1.00 0.00 C ATOM 386 CD1 ILE A 100 -1.725 4.144 3.548 1.00 0.00 C ATOM 0 H ILE A 100 1.277 6.555 1.781 1.00 0.00 H new ATOM 0 HA ILE A 100 0.378 8.128 4.142 1.00 0.00 H new ATOM 0 HB ILE A 100 0.049 5.584 5.037 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -0.959 5.607 2.154 1.00 0.00 H new ATOM 0 HG13 ILE A 100 0.268 4.544 2.815 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -2.399 6.108 4.854 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -1.472 7.548 5.338 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -2.027 7.371 3.657 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -1.940 3.412 2.770 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -1.384 3.630 4.446 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -2.629 4.709 3.775 1.00 0.00 H new ATOM 398 N SER A 101 2.244 6.831 5.546 1.00 0.00 N ATOM 399 CA SER A 101 3.589 6.545 6.124 1.00 0.00 C ATOM 400 C SER A 101 3.852 5.041 6.153 1.00 0.00 C ATOM 401 O SER A 101 2.985 4.238 5.868 1.00 0.00 O ATOM 402 CB SER A 101 3.639 7.087 7.550 1.00 0.00 C ATOM 403 OG SER A 101 3.646 8.507 7.514 1.00 0.00 O ATOM 0 H SER A 101 1.512 7.023 6.230 1.00 0.00 H new ATOM 0 HA SER A 101 4.349 7.023 5.507 1.00 0.00 H new ATOM 0 HB2 SER A 101 2.779 6.731 8.117 1.00 0.00 H new ATOM 0 HB3 SER A 101 4.530 6.721 8.059 1.00 0.00 H new ATOM 0 HG SER A 101 3.676 8.857 8.429 1.00 0.00 H new ATOM 409 N ALA A 102 5.047 4.655 6.513 1.00 0.00 N ATOM 410 CA ALA A 102 5.374 3.206 6.581 1.00 0.00 C ATOM 411 C ALA A 102 4.555 2.578 7.707 1.00 0.00 C ATOM 412 O ALA A 102 4.201 1.420 7.661 1.00 0.00 O ATOM 413 CB ALA A 102 6.865 3.029 6.871 1.00 0.00 C ATOM 0 H ALA A 102 5.810 5.284 6.763 1.00 0.00 H new ATOM 0 HA ALA A 102 5.138 2.724 5.632 1.00 0.00 H new ATOM 0 HB1 ALA A 102 7.102 1.966 6.920 1.00 0.00 H new ATOM 0 HB2 ALA A 102 7.448 3.494 6.076 1.00 0.00 H new ATOM 0 HB3 ALA A 102 7.109 3.500 7.823 1.00 0.00 H new ATOM 419 N ALA A 103 4.245 3.346 8.716 1.00 0.00 N ATOM 420 CA ALA A 103 3.439 2.809 9.844 1.00 0.00 C ATOM 421 C ALA A 103 2.035 2.493 9.336 1.00 0.00 C ATOM 422 O ALA A 103 1.304 1.724 9.929 1.00 0.00 O ATOM 423 CB ALA A 103 3.358 3.855 10.957 1.00 0.00 C ATOM 0 H ALA A 103 4.517 4.325 8.806 1.00 0.00 H new ATOM 0 HA ALA A 103 3.904 1.905 10.237 1.00 0.00 H new ATOM 0 HB1 ALA A 103 2.767 3.461 11.784 1.00 0.00 H new ATOM 0 HB2 ALA A 103 4.362 4.091 11.309 1.00 0.00 H new ATOM 0 HB3 ALA A 103 2.887 4.760 10.573 1.00 0.00 H new ATOM 429 N GLU A 104 1.656 3.081 8.236 1.00 0.00 N ATOM 430 CA GLU A 104 0.307 2.812 7.675 1.00 0.00 C ATOM 431 C GLU A 104 0.367 1.529 6.847 1.00 0.00 C ATOM 432 O GLU A 104 -0.461 0.649 6.980 1.00 0.00 O ATOM 433 CB GLU A 104 -0.108 3.981 6.781 1.00 0.00 C ATOM 434 CG GLU A 104 -1.062 4.892 7.554 1.00 0.00 C ATOM 435 CD GLU A 104 -0.258 5.943 8.321 1.00 0.00 C ATOM 436 OE1 GLU A 104 0.094 6.945 7.722 1.00 0.00 O ATOM 437 OE2 GLU A 104 -0.007 5.727 9.496 1.00 0.00 O ATOM 0 H GLU A 104 2.225 3.737 7.702 1.00 0.00 H new ATOM 0 HA GLU A 104 -0.419 2.698 8.480 1.00 0.00 H new ATOM 0 HB2 GLU A 104 0.771 4.541 6.463 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -0.593 3.610 5.878 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -1.753 5.379 6.866 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -1.663 4.303 8.246 1.00 0.00 H new ATOM 444 N LEU A 105 1.350 1.419 5.999 1.00 0.00 N ATOM 445 CA LEU A 105 1.492 0.202 5.157 1.00 0.00 C ATOM 446 C LEU A 105 1.633 -1.030 6.048 1.00 0.00 C ATOM 447 O LEU A 105 1.080 -2.070 5.767 1.00 0.00 O ATOM 448 CB LEU A 105 2.728 0.349 4.280 1.00 0.00 C ATOM 449 CG LEU A 105 2.359 -0.004 2.844 1.00 0.00 C ATOM 450 CD1 LEU A 105 2.595 1.205 1.938 1.00 0.00 C ATOM 451 CD2 LEU A 105 3.227 -1.176 2.378 1.00 0.00 C ATOM 0 H LEU A 105 2.068 2.128 5.853 1.00 0.00 H new ATOM 0 HA LEU A 105 0.608 0.084 4.530 1.00 0.00 H new ATOM 0 HB2 LEU A 105 3.108 1.369 4.332 1.00 0.00 H new ATOM 0 HB3 LEU A 105 3.523 -0.306 4.637 1.00 0.00 H new ATOM 0 HG LEU A 105 1.307 -0.284 2.794 1.00 0.00 H new ATOM 0 HD11 LEU A 105 2.330 0.948 0.912 1.00 0.00 H new ATOM 0 HD12 LEU A 105 1.978 2.038 2.275 1.00 0.00 H new ATOM 0 HD13 LEU A 105 3.646 1.492 1.980 1.00 0.00 H new ATOM 0 HD21 LEU A 105 2.969 -1.434 1.351 1.00 0.00 H new ATOM 0 HD22 LEU A 105 4.278 -0.892 2.427 1.00 0.00 H new ATOM 0 HD23 LEU A 105 3.053 -2.037 3.023 1.00 0.00 H new ATOM 463 N ARG A 106 2.370 -0.932 7.113 1.00 0.00 N ATOM 464 CA ARG A 106 2.526 -2.115 7.997 1.00 0.00 C ATOM 465 C ARG A 106 1.156 -2.576 8.501 1.00 0.00 C ATOM 466 O ARG A 106 0.826 -3.739 8.442 1.00 0.00 O ATOM 467 CB ARG A 106 3.409 -1.745 9.194 1.00 0.00 C ATOM 468 CG ARG A 106 2.865 -0.485 9.864 1.00 0.00 C ATOM 469 CD ARG A 106 1.927 -0.870 11.010 1.00 0.00 C ATOM 470 NE ARG A 106 2.597 -0.603 12.315 1.00 0.00 N ATOM 471 CZ ARG A 106 1.941 -0.772 13.432 1.00 0.00 C ATOM 472 NH1 ARG A 106 0.724 -0.319 13.550 1.00 0.00 N ATOM 473 NH2 ARG A 106 2.503 -1.397 14.431 1.00 0.00 N ATOM 0 H ARG A 106 2.868 -0.092 7.409 1.00 0.00 H new ATOM 0 HA ARG A 106 2.991 -2.923 7.432 1.00 0.00 H new ATOM 0 HB2 ARG A 106 3.433 -2.567 9.909 1.00 0.00 H new ATOM 0 HB3 ARG A 106 4.435 -1.579 8.864 1.00 0.00 H new ATOM 0 HG2 ARG A 106 3.688 0.120 10.244 1.00 0.00 H new ATOM 0 HG3 ARG A 106 2.331 0.124 9.134 1.00 0.00 H new ATOM 0 HD2 ARG A 106 1.000 -0.300 10.942 1.00 0.00 H new ATOM 0 HD3 ARG A 106 1.659 -1.924 10.936 1.00 0.00 H new ATOM 0 HE ARG A 106 3.567 -0.289 12.336 1.00 0.00 H new ATOM 0 HH11 ARG A 106 0.283 0.168 12.770 1.00 0.00 H new ATOM 0 HH12 ARG A 106 0.213 -0.452 14.423 1.00 0.00 H new ATOM 0 HH21 ARG A 106 3.454 -1.753 14.339 1.00 0.00 H new ATOM 0 HH22 ARG A 106 1.991 -1.529 15.303 1.00 0.00 H new ATOM 487 N HIS A 107 0.367 -1.672 9.009 1.00 0.00 N ATOM 488 CA HIS A 107 -0.977 -2.044 9.547 1.00 0.00 C ATOM 489 C HIS A 107 -1.849 -2.704 8.468 1.00 0.00 C ATOM 490 O HIS A 107 -2.397 -3.769 8.670 1.00 0.00 O ATOM 491 CB HIS A 107 -1.672 -0.780 10.056 1.00 0.00 C ATOM 492 CG HIS A 107 -3.055 -1.119 10.534 1.00 0.00 C ATOM 493 ND1 HIS A 107 -4.097 -1.776 9.930 1.00 0.00 N flip ATOM 494 CD2 HIS A 107 -3.507 -0.772 11.798 1.00 0.00 C flip ATOM 495 CE1 HIS A 107 -5.180 -1.837 10.801 1.00 0.00 C flip ATOM 496 NE2 HIS A 107 -4.771 -1.218 11.912 1.00 0.00 N flip ATOM 0 H HIS A 107 0.596 -0.680 9.076 1.00 0.00 H new ATOM 0 HA HIS A 107 -0.841 -2.761 10.357 1.00 0.00 H new ATOM 0 HB2 HIS A 107 -1.095 -0.338 10.868 1.00 0.00 H new ATOM 0 HB3 HIS A 107 -1.724 -0.037 9.260 1.00 0.00 H new ATOM 0 HD2 HIS A 107 -2.947 -0.241 12.553 1.00 0.00 H new ATOM 0 HE1 HIS A 107 -6.144 -2.288 10.618 1.00 0.00 H new ATOM 0 HE2 HIS A 107 -5.347 -1.098 12.745 1.00 0.00 H new ATOM 504 N VAL A 108 -2.013 -2.074 7.341 1.00 0.00 N ATOM 505 CA VAL A 108 -2.884 -2.669 6.275 1.00 0.00 C ATOM 506 C VAL A 108 -2.264 -3.937 5.699 1.00 0.00 C ATOM 507 O VAL A 108 -2.871 -4.980 5.703 1.00 0.00 O ATOM 508 CB VAL A 108 -3.103 -1.667 5.140 1.00 0.00 C ATOM 509 CG1 VAL A 108 -4.320 -0.803 5.466 1.00 0.00 C ATOM 510 CG2 VAL A 108 -1.869 -0.776 4.968 1.00 0.00 C ATOM 0 H VAL A 108 -1.587 -1.177 7.106 1.00 0.00 H new ATOM 0 HA VAL A 108 -3.839 -2.918 6.738 1.00 0.00 H new ATOM 0 HB VAL A 108 -3.271 -2.210 4.210 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -4.483 -0.086 4.662 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -5.200 -1.438 5.570 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -4.147 -0.268 6.400 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -2.041 -0.069 4.157 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -1.683 -0.229 5.893 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -1.003 -1.395 4.732 1.00 0.00 H new ATOM 520 N MET A 109 -1.083 -3.856 5.167 1.00 0.00 N ATOM 521 CA MET A 109 -0.464 -5.067 4.561 1.00 0.00 C ATOM 522 C MET A 109 -0.232 -6.168 5.614 1.00 0.00 C ATOM 523 O MET A 109 0.187 -7.257 5.280 1.00 0.00 O ATOM 524 CB MET A 109 0.867 -4.690 3.920 1.00 0.00 C ATOM 525 CG MET A 109 0.736 -4.780 2.398 1.00 0.00 C ATOM 526 SD MET A 109 2.307 -5.324 1.681 1.00 0.00 S ATOM 527 CE MET A 109 3.397 -4.367 2.763 1.00 0.00 C ATOM 0 H MET A 109 -0.518 -3.008 5.124 1.00 0.00 H new ATOM 0 HA MET A 109 -1.148 -5.457 3.807 1.00 0.00 H new ATOM 0 HB2 MET A 109 1.152 -3.680 4.213 1.00 0.00 H new ATOM 0 HB3 MET A 109 1.655 -5.358 4.269 1.00 0.00 H new ATOM 0 HG2 MET A 109 -0.057 -5.479 2.132 1.00 0.00 H new ATOM 0 HG3 MET A 109 0.456 -3.809 1.989 1.00 0.00 H new ATOM 0 HE1 MET A 109 4.332 -4.158 2.244 1.00 0.00 H new ATOM 0 HE2 MET A 109 2.912 -3.428 3.030 1.00 0.00 H new ATOM 0 HE3 MET A 109 3.604 -4.938 3.668 1.00 0.00 H new ATOM 537 N THR A 110 -0.494 -5.916 6.874 1.00 0.00 N ATOM 538 CA THR A 110 -0.277 -6.979 7.894 1.00 0.00 C ATOM 539 C THR A 110 -1.548 -7.813 8.029 1.00 0.00 C ATOM 540 O THR A 110 -1.538 -8.914 8.543 1.00 0.00 O ATOM 541 CB THR A 110 0.040 -6.339 9.241 1.00 0.00 C ATOM 542 OG1 THR A 110 -0.708 -5.145 9.391 1.00 0.00 O ATOM 543 CG2 THR A 110 1.534 -6.031 9.328 1.00 0.00 C ATOM 0 H THR A 110 -0.845 -5.028 7.234 1.00 0.00 H new ATOM 0 HA THR A 110 0.554 -7.612 7.584 1.00 0.00 H new ATOM 0 HB THR A 110 -0.228 -7.031 10.039 1.00 0.00 H new ATOM 0 HG1 THR A 110 -0.112 -4.372 9.304 1.00 0.00 H new ATOM 0 HG21 THR A 110 1.756 -5.574 10.292 1.00 0.00 H new ATOM 0 HG22 THR A 110 2.103 -6.955 9.225 1.00 0.00 H new ATOM 0 HG23 THR A 110 1.811 -5.344 8.528 1.00 0.00 H new ATOM 551 N ASN A 111 -2.643 -7.290 7.563 1.00 0.00 N ATOM 552 CA ASN A 111 -3.931 -8.029 7.645 1.00 0.00 C ATOM 553 C ASN A 111 -4.294 -8.505 6.243 1.00 0.00 C ATOM 554 O ASN A 111 -4.647 -9.648 6.031 1.00 0.00 O ATOM 555 CB ASN A 111 -5.034 -7.100 8.171 1.00 0.00 C ATOM 556 CG ASN A 111 -4.415 -5.956 8.980 1.00 0.00 C ATOM 557 OD1 ASN A 111 -3.579 -6.182 9.832 1.00 0.00 O ATOM 558 ND2 ASN A 111 -4.793 -4.729 8.747 1.00 0.00 N ATOM 0 H ASN A 111 -2.702 -6.371 7.124 1.00 0.00 H new ATOM 0 HA ASN A 111 -3.834 -8.877 8.323 1.00 0.00 H new ATOM 0 HB2 ASN A 111 -5.609 -6.697 7.338 1.00 0.00 H new ATOM 0 HB3 ASN A 111 -5.728 -7.663 8.795 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -4.387 -3.960 9.280 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -5.495 -4.539 8.032 1.00 0.00 H new ATOM 565 N LEU A 112 -4.194 -7.632 5.281 1.00 0.00 N ATOM 566 CA LEU A 112 -4.515 -8.022 3.881 1.00 0.00 C ATOM 567 C LEU A 112 -3.885 -9.384 3.581 1.00 0.00 C ATOM 568 O LEU A 112 -3.056 -9.871 4.325 1.00 0.00 O ATOM 569 CB LEU A 112 -3.941 -6.967 2.924 1.00 0.00 C ATOM 570 CG LEU A 112 -4.874 -5.743 2.813 1.00 0.00 C ATOM 571 CD1 LEU A 112 -5.637 -5.822 1.490 1.00 0.00 C ATOM 572 CD2 LEU A 112 -5.883 -5.707 3.981 1.00 0.00 C ATOM 0 H LEU A 112 -3.903 -6.662 5.404 1.00 0.00 H new ATOM 0 HA LEU A 112 -5.595 -8.086 3.750 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -2.960 -6.648 3.277 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -3.797 -7.408 1.938 1.00 0.00 H new ATOM 0 HG LEU A 112 -4.270 -4.837 2.853 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -6.300 -4.962 1.400 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -4.929 -5.822 0.661 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -6.226 -6.738 1.464 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -6.528 -4.834 3.878 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -6.491 -6.612 3.965 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -5.343 -5.650 4.926 1.00 0.00 H new ATOM 584 N GLY A 113 -4.265 -10.005 2.497 1.00 0.00 N ATOM 585 CA GLY A 113 -3.679 -11.332 2.158 1.00 0.00 C ATOM 586 C GLY A 113 -2.158 -11.255 2.281 1.00 0.00 C ATOM 587 O GLY A 113 -1.485 -12.246 2.485 1.00 0.00 O ATOM 0 H GLY A 113 -4.954 -9.651 1.834 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -4.072 -12.098 2.827 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -3.960 -11.619 1.145 1.00 0.00 H new ATOM 591 N GLU A 114 -1.611 -10.077 2.156 1.00 0.00 N ATOM 592 CA GLU A 114 -0.135 -9.919 2.263 1.00 0.00 C ATOM 593 C GLU A 114 0.345 -10.421 3.626 1.00 0.00 C ATOM 594 O GLU A 114 1.090 -11.375 3.710 1.00 0.00 O ATOM 595 CB GLU A 114 0.228 -8.442 2.111 1.00 0.00 C ATOM 596 CG GLU A 114 0.867 -8.213 0.742 1.00 0.00 C ATOM 597 CD GLU A 114 2.237 -8.890 0.697 1.00 0.00 C ATOM 598 OE1 GLU A 114 2.564 -9.587 1.645 1.00 0.00 O ATOM 599 OE2 GLU A 114 2.938 -8.701 -0.284 1.00 0.00 O ATOM 0 H GLU A 114 -2.126 -9.214 1.984 1.00 0.00 H new ATOM 0 HA GLU A 114 0.346 -10.500 1.477 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -0.664 -7.825 2.216 1.00 0.00 H new ATOM 0 HB3 GLU A 114 0.917 -8.143 2.901 1.00 0.00 H new ATOM 0 HG2 GLU A 114 0.225 -8.615 -0.042 1.00 0.00 H new ATOM 0 HG3 GLU A 114 0.971 -7.145 0.552 1.00 0.00 H new ATOM 606 N LYS A 115 -0.074 -9.786 4.693 1.00 0.00 N ATOM 607 CA LYS A 115 0.367 -10.226 6.049 1.00 0.00 C ATOM 608 C LYS A 115 1.903 -10.228 6.116 1.00 0.00 C ATOM 609 O LYS A 115 2.566 -10.978 5.428 1.00 0.00 O ATOM 610 CB LYS A 115 -0.215 -11.626 6.345 1.00 0.00 C ATOM 611 CG LYS A 115 0.859 -12.717 6.233 1.00 0.00 C ATOM 612 CD LYS A 115 0.278 -14.050 6.705 1.00 0.00 C ATOM 613 CE LYS A 115 0.349 -15.065 5.562 1.00 0.00 C ATOM 614 NZ LYS A 115 -1.008 -15.629 5.312 1.00 0.00 N ATOM 0 H LYS A 115 -0.702 -8.982 4.682 1.00 0.00 H new ATOM 0 HA LYS A 115 -0.001 -9.536 6.808 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -0.644 -11.638 7.347 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -1.026 -11.839 5.648 1.00 0.00 H new ATOM 0 HG2 LYS A 115 1.201 -12.801 5.202 1.00 0.00 H new ATOM 0 HG3 LYS A 115 1.727 -12.452 6.836 1.00 0.00 H new ATOM 0 HD2 LYS A 115 0.834 -14.417 7.568 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -0.755 -13.917 7.025 1.00 0.00 H new ATOM 0 HE2 LYS A 115 0.727 -14.586 4.659 1.00 0.00 H new ATOM 0 HE3 LYS A 115 1.046 -15.864 5.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -0.960 -16.319 4.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -1.352 -16.101 6.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -1.661 -14.862 5.053 1.00 0.00 H new ATOM 628 N LEU A 116 2.472 -9.394 6.942 1.00 0.00 N ATOM 629 CA LEU A 116 3.943 -9.343 7.058 1.00 0.00 C ATOM 630 C LEU A 116 4.300 -8.388 8.196 1.00 0.00 C ATOM 631 O LEU A 116 3.922 -7.234 8.212 1.00 0.00 O ATOM 632 CB LEU A 116 4.553 -8.873 5.731 1.00 0.00 C ATOM 633 CG LEU A 116 4.564 -7.348 5.669 1.00 0.00 C ATOM 634 CD1 LEU A 116 5.250 -6.898 4.380 1.00 0.00 C ATOM 635 CD2 LEU A 116 3.123 -6.829 5.691 1.00 0.00 C ATOM 0 H LEU A 116 1.969 -8.742 7.544 1.00 0.00 H new ATOM 0 HA LEU A 116 4.346 -10.332 7.277 1.00 0.00 H new ATOM 0 HB2 LEU A 116 5.569 -9.256 5.633 1.00 0.00 H new ATOM 0 HB3 LEU A 116 3.979 -9.274 4.896 1.00 0.00 H new ATOM 0 HG LEU A 116 5.107 -6.950 6.527 1.00 0.00 H new ATOM 0 HD11 LEU A 116 5.259 -5.809 4.334 1.00 0.00 H new ATOM 0 HD12 LEU A 116 6.274 -7.270 4.364 1.00 0.00 H new ATOM 0 HD13 LEU A 116 4.707 -7.293 3.522 1.00 0.00 H new ATOM 0 HD21 LEU A 116 3.128 -5.740 5.647 1.00 0.00 H new ATOM 0 HD22 LEU A 116 2.581 -7.225 4.832 1.00 0.00 H new ATOM 0 HD23 LEU A 116 2.634 -7.153 6.610 1.00 0.00 H new ATOM 647 N THR A 117 5.001 -8.890 9.155 1.00 0.00 N ATOM 648 CA THR A 117 5.394 -8.071 10.337 1.00 0.00 C ATOM 649 C THR A 117 5.777 -6.651 9.903 1.00 0.00 C ATOM 650 O THR A 117 5.998 -6.377 8.739 1.00 0.00 O ATOM 651 CB THR A 117 6.572 -8.737 11.046 1.00 0.00 C ATOM 652 OG1 THR A 117 6.745 -8.152 12.330 1.00 0.00 O ATOM 653 CG2 THR A 117 7.832 -8.538 10.215 1.00 0.00 C ATOM 0 H THR A 117 5.330 -9.855 9.179 1.00 0.00 H new ATOM 0 HA THR A 117 4.548 -8.005 11.021 1.00 0.00 H new ATOM 0 HB THR A 117 6.378 -9.803 11.162 1.00 0.00 H new ATOM 0 HG1 THR A 117 7.500 -8.580 12.786 1.00 0.00 H new ATOM 0 HG21 THR A 117 8.677 -9.011 10.716 1.00 0.00 H new ATOM 0 HG22 THR A 117 7.694 -8.988 9.232 1.00 0.00 H new ATOM 0 HG23 THR A 117 8.028 -7.472 10.101 1.00 0.00 H new ATOM 661 N ASP A 118 5.840 -5.744 10.841 1.00 0.00 N ATOM 662 CA ASP A 118 6.184 -4.331 10.508 1.00 0.00 C ATOM 663 C ASP A 118 7.600 -4.226 9.929 1.00 0.00 C ATOM 664 O ASP A 118 7.947 -3.236 9.321 1.00 0.00 O ATOM 665 CB ASP A 118 6.096 -3.480 11.776 1.00 0.00 C ATOM 666 CG ASP A 118 6.105 -1.998 11.395 1.00 0.00 C ATOM 667 OD1 ASP A 118 6.429 -1.701 10.257 1.00 0.00 O ATOM 668 OD2 ASP A 118 5.789 -1.187 12.248 1.00 0.00 O ATOM 0 H ASP A 118 5.667 -5.923 11.830 1.00 0.00 H new ATOM 0 HA ASP A 118 5.478 -3.973 9.759 1.00 0.00 H new ATOM 0 HB2 ASP A 118 5.186 -3.720 12.326 1.00 0.00 H new ATOM 0 HB3 ASP A 118 6.935 -3.702 12.435 1.00 0.00 H new ATOM 673 N GLU A 119 8.424 -5.219 10.115 1.00 0.00 N ATOM 674 CA GLU A 119 9.810 -5.130 9.570 1.00 0.00 C ATOM 675 C GLU A 119 9.815 -5.544 8.097 1.00 0.00 C ATOM 676 O GLU A 119 10.676 -5.150 7.335 1.00 0.00 O ATOM 677 CB GLU A 119 10.738 -6.051 10.366 1.00 0.00 C ATOM 678 CG GLU A 119 11.039 -5.420 11.727 1.00 0.00 C ATOM 679 CD GLU A 119 10.989 -6.500 12.810 1.00 0.00 C ATOM 680 OE1 GLU A 119 10.755 -7.647 12.464 1.00 0.00 O ATOM 681 OE2 GLU A 119 11.182 -6.161 13.965 1.00 0.00 O ATOM 0 H GLU A 119 8.203 -6.080 10.615 1.00 0.00 H new ATOM 0 HA GLU A 119 10.162 -4.102 9.655 1.00 0.00 H new ATOM 0 HB2 GLU A 119 10.271 -7.027 10.501 1.00 0.00 H new ATOM 0 HB3 GLU A 119 11.665 -6.214 9.816 1.00 0.00 H new ATOM 0 HG2 GLU A 119 12.022 -4.949 11.713 1.00 0.00 H new ATOM 0 HG3 GLU A 119 10.313 -4.636 11.945 1.00 0.00 H new ATOM 688 N GLU A 120 8.861 -6.329 7.687 1.00 0.00 N ATOM 689 CA GLU A 120 8.811 -6.761 6.262 1.00 0.00 C ATOM 690 C GLU A 120 8.069 -5.701 5.449 1.00 0.00 C ATOM 691 O GLU A 120 8.245 -5.577 4.253 1.00 0.00 O ATOM 692 CB GLU A 120 8.072 -8.098 6.159 1.00 0.00 C ATOM 693 CG GLU A 120 8.736 -9.123 7.082 1.00 0.00 C ATOM 694 CD GLU A 120 9.385 -10.226 6.242 1.00 0.00 C ATOM 695 OE1 GLU A 120 8.763 -10.660 5.286 1.00 0.00 O ATOM 696 OE2 GLU A 120 10.493 -10.618 6.570 1.00 0.00 O ATOM 0 H GLU A 120 8.112 -6.691 8.277 1.00 0.00 H new ATOM 0 HA GLU A 120 9.823 -6.881 5.875 1.00 0.00 H new ATOM 0 HB2 GLU A 120 7.025 -7.969 6.435 1.00 0.00 H new ATOM 0 HB3 GLU A 120 8.088 -8.456 5.130 1.00 0.00 H new ATOM 0 HG2 GLU A 120 9.487 -8.635 7.703 1.00 0.00 H new ATOM 0 HG3 GLU A 120 7.996 -9.553 7.756 1.00 0.00 H new ATOM 703 N VAL A 121 7.239 -4.937 6.097 1.00 0.00 N ATOM 704 CA VAL A 121 6.472 -3.875 5.383 1.00 0.00 C ATOM 705 C VAL A 121 7.269 -2.567 5.395 1.00 0.00 C ATOM 706 O VAL A 121 7.379 -1.886 4.395 1.00 0.00 O ATOM 707 CB VAL A 121 5.132 -3.661 6.090 1.00 0.00 C ATOM 708 CG1 VAL A 121 5.384 -3.228 7.537 1.00 0.00 C ATOM 709 CG2 VAL A 121 4.336 -2.575 5.367 1.00 0.00 C ATOM 0 H VAL A 121 7.056 -5.001 7.098 1.00 0.00 H new ATOM 0 HA VAL A 121 6.299 -4.182 4.351 1.00 0.00 H new ATOM 0 HB VAL A 121 4.565 -4.592 6.079 1.00 0.00 H new ATOM 0 HG11 VAL A 121 4.430 -3.075 8.042 1.00 0.00 H new ATOM 0 HG12 VAL A 121 5.949 -4.003 8.055 1.00 0.00 H new ATOM 0 HG13 VAL A 121 5.952 -2.298 7.545 1.00 0.00 H new ATOM 0 HG21 VAL A 121 3.382 -2.425 5.873 1.00 0.00 H new ATOM 0 HG22 VAL A 121 4.901 -1.643 5.375 1.00 0.00 H new ATOM 0 HG23 VAL A 121 4.156 -2.881 4.337 1.00 0.00 H new ATOM 719 N ASP A 122 7.822 -2.209 6.523 1.00 0.00 N ATOM 720 CA ASP A 122 8.607 -0.945 6.604 1.00 0.00 C ATOM 721 C ASP A 122 9.909 -1.101 5.818 1.00 0.00 C ATOM 722 O ASP A 122 10.412 -0.160 5.238 1.00 0.00 O ATOM 723 CB ASP A 122 8.929 -0.643 8.071 1.00 0.00 C ATOM 724 CG ASP A 122 9.780 0.625 8.160 1.00 0.00 C ATOM 725 OD1 ASP A 122 10.970 0.534 7.909 1.00 0.00 O ATOM 726 OD2 ASP A 122 9.227 1.665 8.479 1.00 0.00 O ATOM 0 H ASP A 122 7.763 -2.739 7.393 1.00 0.00 H new ATOM 0 HA ASP A 122 8.025 -0.126 6.181 1.00 0.00 H new ATOM 0 HB2 ASP A 122 8.006 -0.514 8.637 1.00 0.00 H new ATOM 0 HB3 ASP A 122 9.462 -1.483 8.517 1.00 0.00 H new ATOM 731 N GLU A 123 10.461 -2.283 5.793 1.00 0.00 N ATOM 732 CA GLU A 123 11.730 -2.497 5.043 1.00 0.00 C ATOM 733 C GLU A 123 11.435 -2.553 3.542 1.00 0.00 C ATOM 734 O GLU A 123 12.198 -2.065 2.732 1.00 0.00 O ATOM 735 CB GLU A 123 12.367 -3.815 5.488 1.00 0.00 C ATOM 736 CG GLU A 123 13.660 -4.044 4.705 1.00 0.00 C ATOM 737 CD GLU A 123 13.441 -5.149 3.670 1.00 0.00 C ATOM 738 OE1 GLU A 123 13.157 -6.264 4.074 1.00 0.00 O ATOM 739 OE2 GLU A 123 13.562 -4.859 2.491 1.00 0.00 O ATOM 0 H GLU A 123 10.088 -3.110 6.260 1.00 0.00 H new ATOM 0 HA GLU A 123 12.415 -1.674 5.246 1.00 0.00 H new ATOM 0 HB2 GLU A 123 12.576 -3.788 6.557 1.00 0.00 H new ATOM 0 HB3 GLU A 123 11.676 -4.641 5.320 1.00 0.00 H new ATOM 0 HG2 GLU A 123 13.966 -3.122 4.210 1.00 0.00 H new ATOM 0 HG3 GLU A 123 14.465 -4.322 5.385 1.00 0.00 H new ATOM 746 N MET A 124 10.337 -3.149 3.165 1.00 0.00 N ATOM 747 CA MET A 124 9.998 -3.240 1.717 1.00 0.00 C ATOM 748 C MET A 124 9.379 -1.923 1.248 1.00 0.00 C ATOM 749 O MET A 124 9.188 -1.704 0.068 1.00 0.00 O ATOM 750 CB MET A 124 8.997 -4.378 1.500 1.00 0.00 C ATOM 751 CG MET A 124 8.985 -4.769 0.022 1.00 0.00 C ATOM 752 SD MET A 124 9.182 -6.563 -0.129 1.00 0.00 S ATOM 753 CE MET A 124 10.862 -6.552 -0.799 1.00 0.00 C ATOM 0 H MET A 124 9.660 -3.577 3.797 1.00 0.00 H new ATOM 0 HA MET A 124 10.905 -3.436 1.146 1.00 0.00 H new ATOM 0 HB2 MET A 124 9.268 -5.238 2.113 1.00 0.00 H new ATOM 0 HB3 MET A 124 8.001 -4.065 1.813 1.00 0.00 H new ATOM 0 HG2 MET A 124 8.049 -4.455 -0.441 1.00 0.00 H new ATOM 0 HG3 MET A 124 9.790 -4.258 -0.507 1.00 0.00 H new ATOM 0 HE1 MET A 124 11.191 -7.577 -0.972 1.00 0.00 H new ATOM 0 HE2 MET A 124 10.875 -6.003 -1.741 1.00 0.00 H new ATOM 0 HE3 MET A 124 11.534 -6.070 -0.089 1.00 0.00 H new ATOM 763 N ILE A 125 9.054 -1.046 2.159 1.00 0.00 N ATOM 764 CA ILE A 125 8.441 0.249 1.756 1.00 0.00 C ATOM 765 C ILE A 125 9.484 1.111 1.042 1.00 0.00 C ATOM 766 O ILE A 125 9.154 2.043 0.335 1.00 0.00 O ATOM 767 CB ILE A 125 7.885 0.950 3.010 1.00 0.00 C ATOM 768 CG1 ILE A 125 6.401 1.225 2.796 1.00 0.00 C ATOM 769 CG2 ILE A 125 8.615 2.269 3.300 1.00 0.00 C ATOM 770 CD1 ILE A 125 5.610 0.590 3.939 1.00 0.00 C ATOM 0 H ILE A 125 9.187 -1.171 3.163 1.00 0.00 H new ATOM 0 HA ILE A 125 7.618 0.082 1.061 1.00 0.00 H new ATOM 0 HB ILE A 125 8.039 0.295 3.868 1.00 0.00 H new ATOM 0 HG12 ILE A 125 6.218 2.299 2.762 1.00 0.00 H new ATOM 0 HG13 ILE A 125 6.076 0.816 1.840 1.00 0.00 H new ATOM 0 HG21 ILE A 125 8.192 2.731 4.192 1.00 0.00 H new ATOM 0 HG22 ILE A 125 9.674 2.071 3.462 1.00 0.00 H new ATOM 0 HG23 ILE A 125 8.498 2.944 2.452 1.00 0.00 H new ATOM 0 HD11 ILE A 125 4.546 0.781 3.796 1.00 0.00 H new ATOM 0 HD12 ILE A 125 5.787 -0.485 3.951 1.00 0.00 H new ATOM 0 HD13 ILE A 125 5.931 1.021 4.887 1.00 0.00 H new ATOM 782 N ARG A 126 10.737 0.794 1.197 1.00 0.00 N ATOM 783 CA ARG A 126 11.786 1.582 0.499 1.00 0.00 C ATOM 784 C ARG A 126 11.702 1.276 -1.001 1.00 0.00 C ATOM 785 O ARG A 126 12.413 1.845 -1.806 1.00 0.00 O ATOM 786 CB ARG A 126 13.165 1.186 1.032 1.00 0.00 C ATOM 787 CG ARG A 126 13.118 1.084 2.560 1.00 0.00 C ATOM 788 CD ARG A 126 14.523 0.797 3.095 1.00 0.00 C ATOM 789 NE ARG A 126 15.109 -0.353 2.351 1.00 0.00 N ATOM 790 CZ ARG A 126 16.403 -0.522 2.322 1.00 0.00 C ATOM 791 NH1 ARG A 126 17.017 -1.034 3.354 1.00 0.00 N ATOM 792 NH2 ARG A 126 17.082 -0.178 1.263 1.00 0.00 N ATOM 0 H ARG A 126 11.079 0.026 1.775 1.00 0.00 H new ATOM 0 HA ARG A 126 11.635 2.648 0.672 1.00 0.00 H new ATOM 0 HB2 ARG A 126 13.471 0.232 0.603 1.00 0.00 H new ATOM 0 HB3 ARG A 126 13.908 1.924 0.730 1.00 0.00 H new ATOM 0 HG2 ARG A 126 12.738 2.013 2.986 1.00 0.00 H new ATOM 0 HG3 ARG A 126 12.433 0.291 2.861 1.00 0.00 H new ATOM 0 HD2 ARG A 126 15.155 1.678 2.981 1.00 0.00 H new ATOM 0 HD3 ARG A 126 14.480 0.571 4.160 1.00 0.00 H new ATOM 0 HE ARG A 126 14.498 -1.009 1.864 1.00 0.00 H new ATOM 0 HH11 ARG A 126 16.486 -1.302 4.182 1.00 0.00 H new ATOM 0 HH12 ARG A 126 18.028 -1.166 3.332 1.00 0.00 H new ATOM 0 HH21 ARG A 126 16.602 0.223 0.457 1.00 0.00 H new ATOM 0 HH22 ARG A 126 18.093 -0.310 1.240 1.00 0.00 H new ATOM 806 N GLU A 127 10.836 0.367 -1.376 1.00 0.00 N ATOM 807 CA GLU A 127 10.689 -0.004 -2.806 1.00 0.00 C ATOM 808 C GLU A 127 9.493 0.729 -3.422 1.00 0.00 C ATOM 809 O GLU A 127 9.495 1.060 -4.590 1.00 0.00 O ATOM 810 CB GLU A 127 10.442 -1.509 -2.887 1.00 0.00 C ATOM 811 CG GLU A 127 10.141 -1.906 -4.334 1.00 0.00 C ATOM 812 CD GLU A 127 11.373 -2.578 -4.946 1.00 0.00 C ATOM 813 OE1 GLU A 127 12.470 -2.113 -4.681 1.00 0.00 O ATOM 814 OE2 GLU A 127 11.198 -3.546 -5.668 1.00 0.00 O ATOM 0 H GLU A 127 10.219 -0.137 -0.739 1.00 0.00 H new ATOM 0 HA GLU A 127 11.592 0.271 -3.350 1.00 0.00 H new ATOM 0 HB2 GLU A 127 11.316 -2.051 -2.526 1.00 0.00 H new ATOM 0 HB3 GLU A 127 9.607 -1.785 -2.243 1.00 0.00 H new ATOM 0 HG2 GLU A 127 9.289 -2.585 -4.366 1.00 0.00 H new ATOM 0 HG3 GLU A 127 9.868 -1.025 -4.915 1.00 0.00 H new ATOM 821 N ALA A 128 8.461 0.969 -2.656 1.00 0.00 N ATOM 822 CA ALA A 128 7.267 1.658 -3.222 1.00 0.00 C ATOM 823 C ALA A 128 7.364 3.166 -2.994 1.00 0.00 C ATOM 824 O ALA A 128 7.677 3.923 -3.891 1.00 0.00 O ATOM 825 CB ALA A 128 6.006 1.124 -2.540 1.00 0.00 C ATOM 0 H ALA A 128 8.394 0.719 -1.669 1.00 0.00 H new ATOM 0 HA ALA A 128 7.223 1.465 -4.294 1.00 0.00 H new ATOM 0 HB1 ALA A 128 5.130 1.625 -2.951 1.00 0.00 H new ATOM 0 HB2 ALA A 128 5.925 0.051 -2.714 1.00 0.00 H new ATOM 0 HB3 ALA A 128 6.064 1.315 -1.468 1.00 0.00 H new ATOM 831 N ASP A 129 7.077 3.609 -1.803 1.00 0.00 N ATOM 832 CA ASP A 129 7.127 5.068 -1.510 1.00 0.00 C ATOM 833 C ASP A 129 8.478 5.653 -1.924 1.00 0.00 C ATOM 834 O ASP A 129 8.543 6.638 -2.631 1.00 0.00 O ATOM 835 CB ASP A 129 6.916 5.281 -0.011 1.00 0.00 C ATOM 836 CG ASP A 129 7.717 4.237 0.768 1.00 0.00 C ATOM 837 OD1 ASP A 129 7.198 3.150 0.965 1.00 0.00 O ATOM 838 OD2 ASP A 129 8.833 4.542 1.155 1.00 0.00 O ATOM 0 H ASP A 129 6.808 3.020 -1.015 1.00 0.00 H new ATOM 0 HA ASP A 129 6.343 5.572 -2.075 1.00 0.00 H new ATOM 0 HB2 ASP A 129 7.233 6.285 0.273 1.00 0.00 H new ATOM 0 HB3 ASP A 129 5.857 5.200 0.234 1.00 0.00 H new ATOM 893 N GLY A 134 4.347 11.714 -2.335 1.00 0.00 N ATOM 894 CA GLY A 134 3.562 11.078 -1.239 1.00 0.00 C ATOM 895 C GLY A 134 4.265 9.787 -0.822 1.00 0.00 C ATOM 896 O GLY A 134 4.669 9.003 -1.655 1.00 0.00 O ATOM 0 HA2 GLY A 134 3.481 11.756 -0.389 1.00 0.00 H new ATOM 0 HA3 GLY A 134 2.547 10.865 -1.575 1.00 0.00 H new ATOM 900 N GLN A 135 4.423 9.564 0.457 1.00 0.00 N ATOM 901 CA GLN A 135 5.111 8.323 0.924 1.00 0.00 C ATOM 902 C GLN A 135 4.647 7.125 0.091 1.00 0.00 C ATOM 903 O GLN A 135 5.156 6.876 -0.981 1.00 0.00 O ATOM 904 CB GLN A 135 4.785 8.080 2.400 1.00 0.00 C ATOM 905 CG GLN A 135 5.787 8.836 3.275 1.00 0.00 C ATOM 906 CD GLN A 135 7.204 8.355 2.959 1.00 0.00 C ATOM 907 OE1 GLN A 135 7.435 7.173 2.797 1.00 0.00 O ATOM 908 NE2 GLN A 135 8.170 9.228 2.863 1.00 0.00 N ATOM 0 H GLN A 135 4.105 10.188 1.199 1.00 0.00 H new ATOM 0 HA GLN A 135 6.188 8.445 0.806 1.00 0.00 H new ATOM 0 HB2 GLN A 135 3.771 8.413 2.619 1.00 0.00 H new ATOM 0 HB3 GLN A 135 4.825 7.013 2.621 1.00 0.00 H new ATOM 0 HG2 GLN A 135 5.707 9.908 3.095 1.00 0.00 H new ATOM 0 HG3 GLN A 135 5.562 8.672 4.329 1.00 0.00 H new ATOM 0 HE21 GLN A 135 7.976 10.220 2.999 1.00 0.00 H new ATOM 0 HE22 GLN A 135 9.119 8.918 2.652 1.00 0.00 H new ATOM 917 N VAL A 136 3.694 6.371 0.568 1.00 0.00 N ATOM 918 CA VAL A 136 3.230 5.194 -0.222 1.00 0.00 C ATOM 919 C VAL A 136 1.775 5.398 -0.631 1.00 0.00 C ATOM 920 O VAL A 136 0.872 5.281 0.172 1.00 0.00 O ATOM 921 CB VAL A 136 3.348 3.907 0.602 1.00 0.00 C ATOM 922 CG1 VAL A 136 4.096 2.861 -0.225 1.00 0.00 C ATOM 923 CG2 VAL A 136 4.115 4.171 1.907 1.00 0.00 C ATOM 0 H VAL A 136 3.221 6.516 1.460 1.00 0.00 H new ATOM 0 HA VAL A 136 3.858 5.102 -1.108 1.00 0.00 H new ATOM 0 HB VAL A 136 2.350 3.548 0.853 1.00 0.00 H new ATOM 0 HG11 VAL A 136 4.187 1.940 0.350 1.00 0.00 H new ATOM 0 HG12 VAL A 136 3.545 2.662 -1.144 1.00 0.00 H new ATOM 0 HG13 VAL A 136 5.090 3.235 -0.471 1.00 0.00 H new ATOM 0 HG21 VAL A 136 4.189 3.246 2.479 1.00 0.00 H new ATOM 0 HG22 VAL A 136 5.116 4.534 1.674 1.00 0.00 H new ATOM 0 HG23 VAL A 136 3.585 4.920 2.495 1.00 0.00 H new ATOM 933 N ASN A 137 1.538 5.699 -1.877 1.00 0.00 N ATOM 934 CA ASN A 137 0.138 5.910 -2.327 1.00 0.00 C ATOM 935 C ASN A 137 -0.497 4.576 -2.699 1.00 0.00 C ATOM 936 O ASN A 137 0.027 3.529 -2.399 1.00 0.00 O ATOM 937 CB ASN A 137 0.110 6.852 -3.524 1.00 0.00 C ATOM 938 CG ASN A 137 1.116 6.382 -4.577 1.00 0.00 C ATOM 939 OD1 ASN A 137 2.302 6.607 -4.446 1.00 0.00 O ATOM 940 ND2 ASN A 137 0.688 5.735 -5.626 1.00 0.00 N ATOM 0 H ASN A 137 2.251 5.807 -2.599 1.00 0.00 H new ATOM 0 HA ASN A 137 -0.431 6.358 -1.512 1.00 0.00 H new ATOM 0 HB2 ASN A 137 -0.892 6.881 -3.952 1.00 0.00 H new ATOM 0 HB3 ASN A 137 0.350 7.867 -3.206 1.00 0.00 H new ATOM 0 HD21 ASN A 137 1.349 5.419 -6.335 1.00 0.00 H new ATOM 0 HD22 ASN A 137 -0.308 5.545 -5.737 1.00 0.00 H new ATOM 947 N TYR A 138 -1.637 4.610 -3.326 1.00 0.00 N ATOM 948 CA TYR A 138 -2.338 3.346 -3.694 1.00 0.00 C ATOM 949 C TYR A 138 -1.669 2.664 -4.878 1.00 0.00 C ATOM 950 O TYR A 138 -1.209 1.543 -4.790 1.00 0.00 O ATOM 951 CB TYR A 138 -3.770 3.684 -4.082 1.00 0.00 C ATOM 952 CG TYR A 138 -4.604 3.793 -2.834 1.00 0.00 C ATOM 953 CD1 TYR A 138 -3.995 4.143 -1.624 1.00 0.00 C ATOM 954 CD2 TYR A 138 -5.979 3.555 -2.878 1.00 0.00 C ATOM 955 CE1 TYR A 138 -4.753 4.253 -0.462 1.00 0.00 C ATOM 956 CE2 TYR A 138 -6.741 3.669 -1.713 1.00 0.00 C ATOM 957 CZ TYR A 138 -6.128 4.017 -0.506 1.00 0.00 C ATOM 958 OH TYR A 138 -6.878 4.124 0.639 1.00 0.00 O ATOM 0 H TYR A 138 -2.119 5.465 -3.603 1.00 0.00 H new ATOM 0 HA TYR A 138 -2.304 2.671 -2.839 1.00 0.00 H new ATOM 0 HB2 TYR A 138 -3.798 4.622 -4.637 1.00 0.00 H new ATOM 0 HB3 TYR A 138 -4.174 2.913 -4.738 1.00 0.00 H new ATOM 0 HD1 TYR A 138 -2.932 4.329 -1.592 1.00 0.00 H new ATOM 0 HD2 TYR A 138 -6.452 3.284 -3.810 1.00 0.00 H new ATOM 0 HE1 TYR A 138 -4.279 4.520 0.471 1.00 0.00 H new ATOM 0 HE2 TYR A 138 -7.805 3.488 -1.745 1.00 0.00 H new ATOM 0 HH TYR A 138 -7.804 4.341 0.404 1.00 0.00 H new ATOM 968 N GLU A 139 -1.646 3.320 -5.992 1.00 0.00 N ATOM 969 CA GLU A 139 -1.041 2.708 -7.194 1.00 0.00 C ATOM 970 C GLU A 139 0.377 2.218 -6.859 1.00 0.00 C ATOM 971 O GLU A 139 0.884 1.296 -7.466 1.00 0.00 O ATOM 972 CB GLU A 139 -1.041 3.749 -8.328 1.00 0.00 C ATOM 973 CG GLU A 139 0.383 4.067 -8.751 1.00 0.00 C ATOM 974 CD GLU A 139 0.374 4.903 -10.032 1.00 0.00 C ATOM 975 OE1 GLU A 139 0.120 4.338 -11.083 1.00 0.00 O ATOM 976 OE2 GLU A 139 0.622 6.094 -9.941 1.00 0.00 O ATOM 0 H GLU A 139 -2.022 4.259 -6.124 1.00 0.00 H new ATOM 0 HA GLU A 139 -1.616 1.843 -7.524 1.00 0.00 H new ATOM 0 HB2 GLU A 139 -1.604 3.369 -9.180 1.00 0.00 H new ATOM 0 HB3 GLU A 139 -1.541 4.659 -7.996 1.00 0.00 H new ATOM 0 HG2 GLU A 139 0.895 4.610 -7.956 1.00 0.00 H new ATOM 0 HG3 GLU A 139 0.938 3.143 -8.914 1.00 0.00 H new ATOM 983 N GLU A 140 1.015 2.826 -5.896 1.00 0.00 N ATOM 984 CA GLU A 140 2.392 2.395 -5.522 1.00 0.00 C ATOM 985 C GLU A 140 2.308 1.444 -4.329 1.00 0.00 C ATOM 986 O GLU A 140 3.206 0.666 -4.073 1.00 0.00 O ATOM 987 CB GLU A 140 3.225 3.620 -5.139 1.00 0.00 C ATOM 988 CG GLU A 140 3.684 4.346 -6.405 1.00 0.00 C ATOM 989 CD GLU A 140 5.011 3.752 -6.880 1.00 0.00 C ATOM 990 OE1 GLU A 140 5.514 2.865 -6.211 1.00 0.00 O ATOM 991 OE2 GLU A 140 5.503 4.195 -7.905 1.00 0.00 O ATOM 0 H GLU A 140 0.641 3.603 -5.352 1.00 0.00 H new ATOM 0 HA GLU A 140 2.862 1.890 -6.366 1.00 0.00 H new ATOM 0 HB2 GLU A 140 2.636 4.292 -4.516 1.00 0.00 H new ATOM 0 HB3 GLU A 140 4.089 3.314 -4.549 1.00 0.00 H new ATOM 0 HG2 GLU A 140 2.930 4.250 -7.186 1.00 0.00 H new ATOM 0 HG3 GLU A 140 3.801 5.411 -6.204 1.00 0.00 H new ATOM 998 N PHE A 141 1.229 1.503 -3.600 1.00 0.00 N ATOM 999 CA PHE A 141 1.068 0.607 -2.420 1.00 0.00 C ATOM 1000 C PHE A 141 0.750 -0.807 -2.906 1.00 0.00 C ATOM 1001 O PHE A 141 0.987 -1.780 -2.220 1.00 0.00 O ATOM 1002 CB PHE A 141 -0.074 1.127 -1.545 1.00 0.00 C ATOM 1003 CG PHE A 141 -0.447 0.103 -0.508 1.00 0.00 C ATOM 1004 CD1 PHE A 141 0.551 -0.582 0.190 1.00 0.00 C ATOM 1005 CD2 PHE A 141 -1.794 -0.146 -0.229 1.00 0.00 C ATOM 1006 CE1 PHE A 141 0.202 -1.518 1.166 1.00 0.00 C ATOM 1007 CE2 PHE A 141 -2.144 -1.080 0.750 1.00 0.00 C ATOM 1008 CZ PHE A 141 -1.145 -1.768 1.451 1.00 0.00 C ATOM 0 H PHE A 141 0.448 2.136 -3.771 1.00 0.00 H new ATOM 0 HA PHE A 141 1.988 0.589 -1.836 1.00 0.00 H new ATOM 0 HB2 PHE A 141 0.226 2.055 -1.058 1.00 0.00 H new ATOM 0 HB3 PHE A 141 -0.940 1.358 -2.165 1.00 0.00 H new ATOM 0 HD1 PHE A 141 1.591 -0.388 -0.025 1.00 0.00 H new ATOM 0 HD2 PHE A 141 -2.564 0.383 -0.770 1.00 0.00 H new ATOM 0 HE1 PHE A 141 0.974 -2.050 1.702 1.00 0.00 H new ATOM 0 HE2 PHE A 141 -3.185 -1.271 0.966 1.00 0.00 H new ATOM 0 HZ PHE A 141 -1.414 -2.489 2.209 1.00 0.00 H new ATOM 1018 N VAL A 142 0.225 -0.926 -4.095 1.00 0.00 N ATOM 1019 CA VAL A 142 -0.095 -2.275 -4.636 1.00 0.00 C ATOM 1020 C VAL A 142 1.210 -2.991 -4.995 1.00 0.00 C ATOM 1021 O VAL A 142 1.212 -4.144 -5.380 1.00 0.00 O ATOM 1022 CB VAL A 142 -0.958 -2.127 -5.890 1.00 0.00 C ATOM 1023 CG1 VAL A 142 -0.333 -1.085 -6.820 1.00 0.00 C ATOM 1024 CG2 VAL A 142 -1.039 -3.473 -6.615 1.00 0.00 C ATOM 0 H VAL A 142 0.004 -0.146 -4.714 1.00 0.00 H new ATOM 0 HA VAL A 142 -0.639 -2.854 -3.889 1.00 0.00 H new ATOM 0 HB VAL A 142 -1.960 -1.806 -5.605 1.00 0.00 H new ATOM 0 HG11 VAL A 142 -0.948 -0.980 -7.714 1.00 0.00 H new ATOM 0 HG12 VAL A 142 -0.274 -0.126 -6.305 1.00 0.00 H new ATOM 0 HG13 VAL A 142 0.669 -1.406 -7.105 1.00 0.00 H new ATOM 0 HG21 VAL A 142 -1.654 -3.368 -7.509 1.00 0.00 H new ATOM 0 HG22 VAL A 142 -0.037 -3.794 -6.899 1.00 0.00 H new ATOM 0 HG23 VAL A 142 -1.484 -4.216 -5.954 1.00 0.00 H new ATOM 1034 N GLN A 143 2.322 -2.313 -4.874 1.00 0.00 N ATOM 1035 CA GLN A 143 3.627 -2.948 -5.210 1.00 0.00 C ATOM 1036 C GLN A 143 4.130 -3.758 -4.012 1.00 0.00 C ATOM 1037 O GLN A 143 4.887 -4.695 -4.162 1.00 0.00 O ATOM 1038 CB GLN A 143 4.646 -1.859 -5.553 1.00 0.00 C ATOM 1039 CG GLN A 143 5.928 -2.507 -6.080 1.00 0.00 C ATOM 1040 CD GLN A 143 6.967 -1.422 -6.368 1.00 0.00 C ATOM 1041 OE1 GLN A 143 8.149 -1.633 -6.186 1.00 0.00 O ATOM 1042 NE2 GLN A 143 6.573 -0.261 -6.815 1.00 0.00 N ATOM 0 H GLN A 143 2.381 -1.346 -4.556 1.00 0.00 H new ATOM 0 HA GLN A 143 3.498 -3.612 -6.065 1.00 0.00 H new ATOM 0 HB2 GLN A 143 4.233 -1.183 -6.302 1.00 0.00 H new ATOM 0 HB3 GLN A 143 4.865 -1.260 -4.669 1.00 0.00 H new ATOM 0 HG2 GLN A 143 6.318 -3.214 -5.348 1.00 0.00 H new ATOM 0 HG3 GLN A 143 5.716 -3.072 -6.987 1.00 0.00 H new ATOM 0 HE21 GLN A 143 5.580 -0.084 -6.968 1.00 0.00 H new ATOM 0 HE22 GLN A 143 7.258 0.469 -7.011 1.00 0.00 H new ATOM 1051 N MET A 144 3.713 -3.409 -2.825 1.00 0.00 N ATOM 1052 CA MET A 144 4.171 -4.172 -1.628 1.00 0.00 C ATOM 1053 C MET A 144 3.333 -5.439 -1.511 1.00 0.00 C ATOM 1054 O MET A 144 3.709 -6.393 -0.861 1.00 0.00 O ATOM 1055 CB MET A 144 3.986 -3.345 -0.351 1.00 0.00 C ATOM 1056 CG MET A 144 4.219 -1.862 -0.633 1.00 0.00 C ATOM 1057 SD MET A 144 5.753 -1.334 0.164 1.00 0.00 S ATOM 1058 CE MET A 144 6.867 -1.747 -1.200 1.00 0.00 C ATOM 0 H MET A 144 3.079 -2.634 -2.633 1.00 0.00 H new ATOM 0 HA MET A 144 5.228 -4.409 -1.744 1.00 0.00 H new ATOM 0 HB2 MET A 144 2.980 -3.492 0.042 1.00 0.00 H new ATOM 0 HB3 MET A 144 4.681 -3.689 0.415 1.00 0.00 H new ATOM 0 HG2 MET A 144 4.276 -1.689 -1.708 1.00 0.00 H new ATOM 0 HG3 MET A 144 3.381 -1.273 -0.260 1.00 0.00 H new ATOM 0 HE1 MET A 144 7.603 -0.952 -1.322 1.00 0.00 H new ATOM 0 HE2 MET A 144 7.378 -2.684 -0.981 1.00 0.00 H new ATOM 0 HE3 MET A 144 6.292 -1.854 -2.120 1.00 0.00 H new ATOM 1068 N MET A 145 2.193 -5.448 -2.140 1.00 0.00 N ATOM 1069 CA MET A 145 1.316 -6.648 -2.070 1.00 0.00 C ATOM 1070 C MET A 145 1.477 -7.470 -3.352 1.00 0.00 C ATOM 1071 O MET A 145 0.779 -8.440 -3.571 1.00 0.00 O ATOM 1072 CB MET A 145 -0.157 -6.231 -1.899 1.00 0.00 C ATOM 1073 CG MET A 145 -0.338 -4.742 -2.211 1.00 0.00 C ATOM 1074 SD MET A 145 -1.982 -4.211 -1.676 1.00 0.00 S ATOM 1075 CE MET A 145 -1.662 -4.246 0.104 1.00 0.00 C ATOM 0 H MET A 145 1.830 -4.676 -2.700 1.00 0.00 H new ATOM 0 HA MET A 145 1.607 -7.250 -1.209 1.00 0.00 H new ATOM 0 HB2 MET A 145 -0.788 -6.825 -2.560 1.00 0.00 H new ATOM 0 HB3 MET A 145 -0.482 -6.436 -0.879 1.00 0.00 H new ATOM 0 HG2 MET A 145 0.428 -4.157 -1.703 1.00 0.00 H new ATOM 0 HG3 MET A 145 -0.217 -4.566 -3.280 1.00 0.00 H new ATOM 0 HE1 MET A 145 -2.388 -3.615 0.617 1.00 0.00 H new ATOM 0 HE2 MET A 145 -1.748 -5.269 0.469 1.00 0.00 H new ATOM 0 HE3 MET A 145 -0.656 -3.874 0.300 1.00 0.00 H new ATOM 1085 N THR A 146 2.397 -7.091 -4.196 1.00 0.00 N ATOM 1086 CA THR A 146 2.612 -7.849 -5.460 1.00 0.00 C ATOM 1087 C THR A 146 3.862 -7.314 -6.162 1.00 0.00 C ATOM 1088 O THR A 146 3.976 -7.363 -7.370 1.00 0.00 O ATOM 1089 CB THR A 146 1.399 -7.673 -6.375 1.00 0.00 C ATOM 1090 OG1 THR A 146 1.486 -8.590 -7.456 1.00 0.00 O ATOM 1091 CG2 THR A 146 1.369 -6.242 -6.917 1.00 0.00 C ATOM 0 H THR A 146 3.010 -6.287 -4.064 1.00 0.00 H new ATOM 0 HA THR A 146 2.743 -8.907 -5.234 1.00 0.00 H new ATOM 0 HB THR A 146 0.487 -7.863 -5.810 1.00 0.00 H new ATOM 0 HG1 THR A 146 2.333 -8.457 -7.930 1.00 0.00 H new ATOM 0 HG21 THR A 146 0.504 -6.118 -7.569 1.00 0.00 H new ATOM 0 HG22 THR A 146 1.301 -5.540 -6.086 1.00 0.00 H new ATOM 0 HG23 THR A 146 2.280 -6.048 -7.482 1.00 0.00 H new