USER MOD reduce.3.24.130724 H: found=0, std=0, add=479, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 479 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 100 ASN : amide:sc= -0.428 K(o=-0.43,f=-3.7!) USER MOD Single : A 101 CYS SG : rot 180:sc= 0 USER MOD Single : A 107 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.224) USER MOD Single : A 108 ASN : amide:sc= -1.92! C(o=-1.9!,f=-5.5!) USER MOD Single : A 125 THR OG1 : rot -61:sc= 0.667 USER MOD Single : A 128 HIS : no HD1:sc= -2.16! C(o=-2.2!,f=-3.6!) USER MOD Single : A 138 MET CE :methyl 157:sc= -4.48! (180deg=-5.73!) USER MOD Single : A 139 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 141 SER OG : rot 41:sc= -1.21! USER MOD Single : A 143 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 144 ASN : amide:sc= -0.756! X(o=-0.76!,f=-1.2) USER MOD Single : A 145 ASN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 156 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 157 MET CE :methyl -120:sc= -3.26 (180deg=-8.05!) USER MOD Single : A 158 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 115 N GLU A 96 58.335 13.611 0.576 1.00 0.00 N ATOM 116 CA GLU A 96 57.104 14.103 1.261 1.00 0.00 C ATOM 117 C GLU A 96 56.067 12.980 1.353 1.00 0.00 C ATOM 118 O GLU A 96 55.732 12.518 2.425 1.00 0.00 O ATOM 119 CB GLU A 96 56.588 15.242 0.380 1.00 0.00 C ATOM 120 CG GLU A 96 56.159 16.414 1.264 1.00 0.00 C ATOM 121 CD GLU A 96 57.052 17.623 0.979 1.00 0.00 C ATOM 122 OE1 GLU A 96 58.233 17.421 0.746 1.00 0.00 O ATOM 123 OE2 GLU A 96 56.542 18.731 0.999 1.00 0.00 O ATOM 0 HA GLU A 96 57.302 14.436 2.280 1.00 0.00 H new ATOM 0 HB2 GLU A 96 57.366 15.561 -0.314 1.00 0.00 H new ATOM 0 HB3 GLU A 96 55.746 14.899 -0.221 1.00 0.00 H new ATOM 0 HG2 GLU A 96 55.116 16.666 1.071 1.00 0.00 H new ATOM 0 HG3 GLU A 96 56.231 16.135 2.315 1.00 0.00 H new ATOM 130 N GLU A 97 55.557 12.538 0.237 1.00 0.00 N ATOM 131 CA GLU A 97 54.541 11.445 0.259 1.00 0.00 C ATOM 132 C GLU A 97 55.061 10.256 1.072 1.00 0.00 C ATOM 133 O GLU A 97 54.355 9.692 1.885 1.00 0.00 O ATOM 134 CB GLU A 97 54.350 11.051 -1.205 1.00 0.00 C ATOM 135 CG GLU A 97 53.698 12.209 -1.964 1.00 0.00 C ATOM 136 CD GLU A 97 52.182 12.003 -2.002 1.00 0.00 C ATOM 137 OE1 GLU A 97 51.712 11.080 -1.359 1.00 0.00 O ATOM 138 OE2 GLU A 97 51.518 12.774 -2.676 1.00 0.00 O ATOM 0 H GLU A 97 55.799 12.886 -0.691 1.00 0.00 H new ATOM 0 HA GLU A 97 53.605 11.760 0.721 1.00 0.00 H new ATOM 0 HB2 GLU A 97 55.312 10.803 -1.654 1.00 0.00 H new ATOM 0 HB3 GLU A 97 53.726 10.160 -1.274 1.00 0.00 H new ATOM 0 HG2 GLU A 97 53.935 13.156 -1.479 1.00 0.00 H new ATOM 0 HG3 GLU A 97 54.094 12.263 -2.978 1.00 0.00 H new ATOM 145 N LEU A 98 56.289 9.870 0.858 1.00 0.00 N ATOM 146 CA LEU A 98 56.851 8.718 1.618 1.00 0.00 C ATOM 147 C LEU A 98 56.531 8.859 3.109 1.00 0.00 C ATOM 148 O LEU A 98 55.856 8.033 3.689 1.00 0.00 O ATOM 149 CB LEU A 98 58.361 8.790 1.384 1.00 0.00 C ATOM 150 CG LEU A 98 58.790 7.644 0.467 1.00 0.00 C ATOM 151 CD1 LEU A 98 59.133 8.197 -0.916 1.00 0.00 C ATOM 152 CD2 LEU A 98 60.021 6.955 1.059 1.00 0.00 C ATOM 0 H LEU A 98 56.927 10.302 0.190 1.00 0.00 H new ATOM 0 HA LEU A 98 56.432 7.765 1.294 1.00 0.00 H new ATOM 0 HB2 LEU A 98 58.625 9.748 0.935 1.00 0.00 H new ATOM 0 HB3 LEU A 98 58.891 8.727 2.335 1.00 0.00 H new ATOM 0 HG LEU A 98 57.976 6.925 0.378 1.00 0.00 H new ATOM 0 HD11 LEU A 98 59.439 7.380 -1.569 1.00 0.00 H new ATOM 0 HD12 LEU A 98 58.257 8.691 -1.338 1.00 0.00 H new ATOM 0 HD13 LEU A 98 59.948 8.916 -0.829 1.00 0.00 H new ATOM 0 HD21 LEU A 98 60.329 6.137 0.407 1.00 0.00 H new ATOM 0 HD22 LEU A 98 60.834 7.675 1.147 1.00 0.00 H new ATOM 0 HD23 LEU A 98 59.778 6.561 2.046 1.00 0.00 H new ATOM 164 N ALA A 99 57.014 9.901 3.730 1.00 0.00 N ATOM 165 CA ALA A 99 56.741 10.099 5.183 1.00 0.00 C ATOM 166 C ALA A 99 55.283 9.754 5.506 1.00 0.00 C ATOM 167 O ALA A 99 55.004 8.904 6.327 1.00 0.00 O ATOM 168 CB ALA A 99 57.008 11.583 5.433 1.00 0.00 C ATOM 0 H ALA A 99 57.586 10.624 3.294 1.00 0.00 H new ATOM 0 HA ALA A 99 57.361 9.458 5.810 1.00 0.00 H new ATOM 0 HB1 ALA A 99 56.829 11.813 6.483 1.00 0.00 H new ATOM 0 HB2 ALA A 99 58.043 11.814 5.182 1.00 0.00 H new ATOM 0 HB3 ALA A 99 56.342 12.182 4.812 1.00 0.00 H new ATOM 174 N ASN A 100 54.353 10.410 4.867 1.00 0.00 N ATOM 175 CA ASN A 100 52.914 10.122 5.139 1.00 0.00 C ATOM 176 C ASN A 100 52.532 8.743 4.594 1.00 0.00 C ATOM 177 O ASN A 100 52.006 7.908 5.302 1.00 0.00 O ATOM 178 CB ASN A 100 52.146 11.221 4.403 1.00 0.00 C ATOM 179 CG ASN A 100 51.357 12.058 5.411 1.00 0.00 C ATOM 180 OD1 ASN A 100 51.354 11.765 6.590 1.00 0.00 O ATOM 181 ND2 ASN A 100 50.681 13.093 4.994 1.00 0.00 N ATOM 0 H ASN A 100 54.526 11.133 4.168 1.00 0.00 H new ATOM 0 HA ASN A 100 52.692 10.111 6.206 1.00 0.00 H new ATOM 0 HB2 ASN A 100 52.839 11.856 3.851 1.00 0.00 H new ATOM 0 HB3 ASN A 100 51.468 10.779 3.673 1.00 0.00 H new ATOM 0 HD21 ASN A 100 50.150 13.656 5.658 1.00 0.00 H new ATOM 0 HD22 ASN A 100 50.684 13.339 4.004 1.00 0.00 H new ATOM 188 N CYS A 101 52.790 8.499 3.338 1.00 0.00 N ATOM 189 CA CYS A 101 52.438 7.177 2.744 1.00 0.00 C ATOM 190 C CYS A 101 52.920 6.037 3.647 1.00 0.00 C ATOM 191 O CYS A 101 52.420 4.932 3.586 1.00 0.00 O ATOM 192 CB CYS A 101 53.167 7.142 1.400 1.00 0.00 C ATOM 193 SG CYS A 101 52.185 8.015 0.157 1.00 0.00 S ATOM 0 H CYS A 101 53.230 9.159 2.696 1.00 0.00 H new ATOM 0 HA CYS A 101 51.361 7.052 2.630 1.00 0.00 H new ATOM 0 HB2 CYS A 101 54.149 7.606 1.495 1.00 0.00 H new ATOM 0 HB3 CYS A 101 53.331 6.110 1.090 1.00 0.00 H new ATOM 0 HG CYS A 101 52.806 7.987 -0.985 1.00 0.00 H new ATOM 199 N PHE A 102 53.888 6.294 4.481 1.00 0.00 N ATOM 200 CA PHE A 102 54.400 5.221 5.383 1.00 0.00 C ATOM 201 C PHE A 102 53.242 4.563 6.142 1.00 0.00 C ATOM 202 O PHE A 102 53.100 3.356 6.150 1.00 0.00 O ATOM 203 CB PHE A 102 55.339 5.936 6.352 1.00 0.00 C ATOM 204 CG PHE A 102 55.705 5.005 7.483 1.00 0.00 C ATOM 205 CD1 PHE A 102 56.737 4.075 7.317 1.00 0.00 C ATOM 206 CD2 PHE A 102 55.011 5.072 8.697 1.00 0.00 C ATOM 207 CE1 PHE A 102 57.077 3.211 8.365 1.00 0.00 C ATOM 208 CE2 PHE A 102 55.350 4.208 9.745 1.00 0.00 C ATOM 209 CZ PHE A 102 56.383 3.278 9.579 1.00 0.00 C ATOM 0 H PHE A 102 54.348 7.199 4.578 1.00 0.00 H new ATOM 0 HA PHE A 102 54.906 4.428 4.833 1.00 0.00 H new ATOM 0 HB2 PHE A 102 56.239 6.261 5.829 1.00 0.00 H new ATOM 0 HB3 PHE A 102 54.858 6.832 6.746 1.00 0.00 H new ATOM 0 HD1 PHE A 102 57.272 4.024 6.380 1.00 0.00 H new ATOM 0 HD2 PHE A 102 54.214 5.790 8.825 1.00 0.00 H new ATOM 0 HE1 PHE A 102 57.874 2.493 8.237 1.00 0.00 H new ATOM 0 HE2 PHE A 102 54.815 4.259 10.682 1.00 0.00 H new ATOM 0 HZ PHE A 102 56.645 2.612 10.388 1.00 0.00 H new ATOM 219 N ARG A 103 52.420 5.346 6.782 1.00 0.00 N ATOM 220 CA ARG A 103 51.276 4.765 7.546 1.00 0.00 C ATOM 221 C ARG A 103 50.371 3.943 6.622 1.00 0.00 C ATOM 222 O ARG A 103 49.695 3.030 7.054 1.00 0.00 O ATOM 223 CB ARG A 103 50.520 5.971 8.105 1.00 0.00 C ATOM 224 CG ARG A 103 51.311 6.577 9.266 1.00 0.00 C ATOM 225 CD ARG A 103 50.482 6.495 10.550 1.00 0.00 C ATOM 226 NE ARG A 103 51.173 5.477 11.388 1.00 0.00 N ATOM 227 CZ ARG A 103 51.122 5.561 12.689 1.00 0.00 C ATOM 228 NH1 ARG A 103 49.988 5.380 13.310 1.00 0.00 N ATOM 229 NH2 ARG A 103 52.204 5.826 13.370 1.00 0.00 N ATOM 0 H ARG A 103 52.489 6.363 6.811 1.00 0.00 H new ATOM 0 HA ARG A 103 51.611 4.090 8.334 1.00 0.00 H new ATOM 0 HB2 ARG A 103 50.374 6.716 7.323 1.00 0.00 H new ATOM 0 HB3 ARG A 103 49.530 5.667 8.445 1.00 0.00 H new ATOM 0 HG2 ARG A 103 52.253 6.044 9.395 1.00 0.00 H new ATOM 0 HG3 ARG A 103 51.559 7.616 9.047 1.00 0.00 H new ATOM 0 HD2 ARG A 103 50.440 7.460 11.055 1.00 0.00 H new ATOM 0 HD3 ARG A 103 49.454 6.201 10.338 1.00 0.00 H new ATOM 0 HE ARG A 103 51.686 4.714 10.945 1.00 0.00 H new ATOM 0 HH11 ARG A 103 49.143 5.173 12.778 1.00 0.00 H new ATOM 0 HH12 ARG A 103 49.947 5.445 14.327 1.00 0.00 H new ATOM 0 HH21 ARG A 103 53.090 5.968 12.885 1.00 0.00 H new ATOM 0 HH22 ARG A 103 52.163 5.892 14.387 1.00 0.00 H new ATOM 243 N ILE A 104 50.344 4.260 5.356 1.00 0.00 N ATOM 244 CA ILE A 104 49.475 3.493 4.416 1.00 0.00 C ATOM 245 C ILE A 104 50.000 2.064 4.252 1.00 0.00 C ATOM 246 O ILE A 104 49.306 1.103 4.521 1.00 0.00 O ATOM 247 CB ILE A 104 49.559 4.251 3.092 1.00 0.00 C ATOM 248 CG1 ILE A 104 48.994 5.660 3.275 1.00 0.00 C ATOM 249 CG2 ILE A 104 48.746 3.512 2.029 1.00 0.00 C ATOM 250 CD1 ILE A 104 47.496 5.575 3.571 1.00 0.00 C ATOM 0 H ILE A 104 50.884 5.014 4.932 1.00 0.00 H new ATOM 0 HA ILE A 104 48.449 3.413 4.776 1.00 0.00 H new ATOM 0 HB ILE A 104 50.600 4.314 2.775 1.00 0.00 H new ATOM 0 HG12 ILE A 104 49.509 6.166 4.092 1.00 0.00 H new ATOM 0 HG13 ILE A 104 49.165 6.251 2.375 1.00 0.00 H new ATOM 0 HG21 ILE A 104 48.806 4.053 1.084 1.00 0.00 H new ATOM 0 HG22 ILE A 104 49.147 2.507 1.898 1.00 0.00 H new ATOM 0 HG23 ILE A 104 47.705 3.449 2.346 1.00 0.00 H new ATOM 0 HD11 ILE A 104 47.093 6.579 3.701 1.00 0.00 H new ATOM 0 HD12 ILE A 104 46.988 5.086 2.740 1.00 0.00 H new ATOM 0 HD13 ILE A 104 47.337 4.999 4.483 1.00 0.00 H new ATOM 262 N PHE A 105 51.218 1.917 3.808 1.00 0.00 N ATOM 263 CA PHE A 105 51.783 0.548 3.625 1.00 0.00 C ATOM 264 C PHE A 105 51.597 -0.275 4.903 1.00 0.00 C ATOM 265 O PHE A 105 51.391 -1.471 4.859 1.00 0.00 O ATOM 266 CB PHE A 105 53.270 0.768 3.338 1.00 0.00 C ATOM 267 CG PHE A 105 53.462 1.192 1.898 1.00 0.00 C ATOM 268 CD1 PHE A 105 52.386 1.712 1.163 1.00 0.00 C ATOM 269 CD2 PHE A 105 54.721 1.066 1.297 1.00 0.00 C ATOM 270 CE1 PHE A 105 52.571 2.104 -0.167 1.00 0.00 C ATOM 271 CE2 PHE A 105 54.904 1.460 -0.034 1.00 0.00 C ATOM 272 CZ PHE A 105 53.830 1.978 -0.766 1.00 0.00 C ATOM 0 H PHE A 105 51.846 2.683 3.564 1.00 0.00 H new ATOM 0 HA PHE A 105 51.290 0.001 2.821 1.00 0.00 H new ATOM 0 HB2 PHE A 105 53.669 1.531 4.007 1.00 0.00 H new ATOM 0 HB3 PHE A 105 53.826 -0.149 3.533 1.00 0.00 H new ATOM 0 HD1 PHE A 105 51.414 1.810 1.624 1.00 0.00 H new ATOM 0 HD2 PHE A 105 55.551 0.665 1.860 1.00 0.00 H new ATOM 0 HE1 PHE A 105 51.742 2.504 -0.732 1.00 0.00 H new ATOM 0 HE2 PHE A 105 55.875 1.364 -0.496 1.00 0.00 H new ATOM 0 HZ PHE A 105 53.972 2.281 -1.793 1.00 0.00 H new ATOM 282 N ASP A 106 51.671 0.359 6.040 1.00 0.00 N ATOM 283 CA ASP A 106 51.500 -0.382 7.321 1.00 0.00 C ATOM 284 C ASP A 106 50.030 -0.758 7.524 1.00 0.00 C ATOM 285 O ASP A 106 49.265 -0.017 8.109 1.00 0.00 O ATOM 286 CB ASP A 106 51.959 0.594 8.405 1.00 0.00 C ATOM 287 CG ASP A 106 52.419 -0.188 9.637 1.00 0.00 C ATOM 288 OD1 ASP A 106 52.057 -1.347 9.746 1.00 0.00 O ATOM 289 OD2 ASP A 106 53.125 0.387 10.449 1.00 0.00 O ATOM 0 H ASP A 106 51.843 1.360 6.138 1.00 0.00 H new ATOM 0 HA ASP A 106 52.069 -1.311 7.340 1.00 0.00 H new ATOM 0 HB2 ASP A 106 52.774 1.213 8.030 1.00 0.00 H new ATOM 0 HB3 ASP A 106 51.144 1.267 8.672 1.00 0.00 H new ATOM 294 N LYS A 107 49.628 -1.903 7.046 1.00 0.00 N ATOM 295 CA LYS A 107 48.207 -2.323 7.212 1.00 0.00 C ATOM 296 C LYS A 107 47.999 -2.961 8.589 1.00 0.00 C ATOM 297 O LYS A 107 46.893 -3.039 9.086 1.00 0.00 O ATOM 298 CB LYS A 107 47.967 -3.349 6.103 1.00 0.00 C ATOM 299 CG LYS A 107 48.206 -2.693 4.742 1.00 0.00 C ATOM 300 CD LYS A 107 47.227 -3.270 3.716 1.00 0.00 C ATOM 301 CE LYS A 107 47.622 -2.803 2.313 1.00 0.00 C ATOM 302 NZ LYS A 107 47.232 -1.366 2.261 1.00 0.00 N ATOM 0 H LYS A 107 50.221 -2.566 6.548 1.00 0.00 H new ATOM 0 HA LYS A 107 47.517 -1.482 7.147 1.00 0.00 H new ATOM 0 HB2 LYS A 107 48.635 -4.201 6.230 1.00 0.00 H new ATOM 0 HB3 LYS A 107 46.948 -3.731 6.161 1.00 0.00 H new ATOM 0 HG2 LYS A 107 48.074 -1.614 4.819 1.00 0.00 H new ATOM 0 HG3 LYS A 107 49.232 -2.867 4.418 1.00 0.00 H new ATOM 0 HD2 LYS A 107 47.234 -4.359 3.764 1.00 0.00 H new ATOM 0 HD3 LYS A 107 46.211 -2.947 3.945 1.00 0.00 H new ATOM 0 HE2 LYS A 107 48.691 -2.928 2.142 1.00 0.00 H new ATOM 0 HE3 LYS A 107 47.106 -3.380 1.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 47.247 -1.038 1.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 46.274 -1.252 2.649 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 47.902 -0.804 2.823 1.00 0.00 H new ATOM 316 N ASN A 108 49.053 -3.415 9.209 1.00 0.00 N ATOM 317 CA ASN A 108 48.915 -4.046 10.553 1.00 0.00 C ATOM 318 C ASN A 108 49.624 -3.196 11.611 1.00 0.00 C ATOM 319 O ASN A 108 49.618 -3.515 12.784 1.00 0.00 O ATOM 320 CB ASN A 108 49.587 -5.413 10.424 1.00 0.00 C ATOM 321 CG ASN A 108 51.071 -5.224 10.102 1.00 0.00 C ATOM 322 OD1 ASN A 108 51.897 -5.187 10.992 1.00 0.00 O ATOM 323 ND2 ASN A 108 51.445 -5.103 8.858 1.00 0.00 N ATOM 0 H ASN A 108 50.004 -3.377 8.843 1.00 0.00 H new ATOM 0 HA ASN A 108 47.873 -4.134 10.862 1.00 0.00 H new ATOM 0 HB2 ASN A 108 49.474 -5.975 11.351 1.00 0.00 H new ATOM 0 HB3 ASN A 108 49.105 -5.994 9.638 1.00 0.00 H new ATOM 0 HD21 ASN A 108 52.432 -4.977 8.632 1.00 0.00 H new ATOM 0 HD22 ASN A 108 50.751 -5.134 8.111 1.00 0.00 H new ATOM 330 N ALA A 109 50.236 -2.117 11.206 1.00 0.00 N ATOM 331 CA ALA A 109 50.945 -1.247 12.188 1.00 0.00 C ATOM 332 C ALA A 109 52.153 -1.983 12.776 1.00 0.00 C ATOM 333 O ALA A 109 52.164 -2.349 13.935 1.00 0.00 O ATOM 334 CB ALA A 109 49.913 -0.953 13.277 1.00 0.00 C ATOM 0 H ALA A 109 50.276 -1.800 10.237 1.00 0.00 H new ATOM 0 HA ALA A 109 51.324 -0.334 11.729 1.00 0.00 H new ATOM 0 HB1 ALA A 109 50.360 -0.315 14.040 1.00 0.00 H new ATOM 0 HB2 ALA A 109 49.055 -0.445 12.837 1.00 0.00 H new ATOM 0 HB3 ALA A 109 49.587 -1.889 13.732 1.00 0.00 H new ATOM 340 N ASP A 110 53.167 -2.202 11.985 1.00 0.00 N ATOM 341 CA ASP A 110 54.373 -2.914 12.498 1.00 0.00 C ATOM 342 C ASP A 110 55.544 -1.938 12.635 1.00 0.00 C ATOM 343 O ASP A 110 56.475 -2.170 13.380 1.00 0.00 O ATOM 344 CB ASP A 110 54.681 -3.980 11.446 1.00 0.00 C ATOM 345 CG ASP A 110 54.694 -3.339 10.057 1.00 0.00 C ATOM 346 OD1 ASP A 110 55.304 -2.292 9.915 1.00 0.00 O ATOM 347 OD2 ASP A 110 54.095 -3.906 9.159 1.00 0.00 O ATOM 0 H ASP A 110 53.213 -1.919 11.006 1.00 0.00 H new ATOM 0 HA ASP A 110 54.208 -3.351 13.483 1.00 0.00 H new ATOM 0 HB2 ASP A 110 55.646 -4.443 11.654 1.00 0.00 H new ATOM 0 HB3 ASP A 110 53.933 -4.772 11.486 1.00 0.00 H new ATOM 352 N GLY A 111 55.504 -0.846 11.922 1.00 0.00 N ATOM 353 CA GLY A 111 56.613 0.145 12.012 1.00 0.00 C ATOM 354 C GLY A 111 57.670 -0.166 10.950 1.00 0.00 C ATOM 355 O GLY A 111 58.637 0.555 10.797 1.00 0.00 O ATOM 0 H GLY A 111 54.751 -0.597 11.281 1.00 0.00 H new ATOM 0 HA2 GLY A 111 56.225 1.153 11.868 1.00 0.00 H new ATOM 0 HA3 GLY A 111 57.061 0.114 13.005 1.00 0.00 H new ATOM 359 N PHE A 112 57.497 -1.232 10.216 1.00 0.00 N ATOM 360 CA PHE A 112 58.497 -1.584 9.164 1.00 0.00 C ATOM 361 C PHE A 112 57.829 -2.381 8.042 1.00 0.00 C ATOM 362 O PHE A 112 57.151 -3.360 8.283 1.00 0.00 O ATOM 363 CB PHE A 112 59.544 -2.452 9.871 1.00 0.00 C ATOM 364 CG PHE A 112 59.879 -1.865 11.221 1.00 0.00 C ATOM 365 CD1 PHE A 112 59.098 -2.189 12.337 1.00 0.00 C ATOM 366 CD2 PHE A 112 60.971 -1.000 11.357 1.00 0.00 C ATOM 367 CE1 PHE A 112 59.409 -1.647 13.589 1.00 0.00 C ATOM 368 CE2 PHE A 112 61.283 -0.459 12.610 1.00 0.00 C ATOM 369 CZ PHE A 112 60.502 -0.782 13.726 1.00 0.00 C ATOM 0 H PHE A 112 56.709 -1.874 10.298 1.00 0.00 H new ATOM 0 HA PHE A 112 58.939 -0.695 8.713 1.00 0.00 H new ATOM 0 HB2 PHE A 112 59.165 -3.467 9.991 1.00 0.00 H new ATOM 0 HB3 PHE A 112 60.445 -2.518 9.261 1.00 0.00 H new ATOM 0 HD1 PHE A 112 58.256 -2.857 12.232 1.00 0.00 H new ATOM 0 HD2 PHE A 112 61.573 -0.750 10.496 1.00 0.00 H new ATOM 0 HE1 PHE A 112 58.806 -1.896 14.450 1.00 0.00 H new ATOM 0 HE2 PHE A 112 62.126 0.208 12.716 1.00 0.00 H new ATOM 0 HZ PHE A 112 60.742 -0.364 14.693 1.00 0.00 H new ATOM 379 N ILE A 113 58.019 -1.977 6.815 1.00 0.00 N ATOM 380 CA ILE A 113 57.399 -2.722 5.683 1.00 0.00 C ATOM 381 C ILE A 113 58.273 -3.923 5.312 1.00 0.00 C ATOM 382 O ILE A 113 59.392 -3.772 4.863 1.00 0.00 O ATOM 383 CB ILE A 113 57.343 -1.720 4.528 1.00 0.00 C ATOM 384 CG1 ILE A 113 56.260 -0.676 4.810 1.00 0.00 C ATOM 385 CG2 ILE A 113 57.013 -2.456 3.228 1.00 0.00 C ATOM 386 CD1 ILE A 113 56.860 0.480 5.610 1.00 0.00 C ATOM 0 H ILE A 113 58.576 -1.165 6.548 1.00 0.00 H new ATOM 0 HA ILE A 113 56.410 -3.107 5.930 1.00 0.00 H new ATOM 0 HB ILE A 113 58.309 -1.225 4.431 1.00 0.00 H new ATOM 0 HG12 ILE A 113 55.844 -0.306 3.873 1.00 0.00 H new ATOM 0 HG13 ILE A 113 55.439 -1.129 5.366 1.00 0.00 H new ATOM 0 HG21 ILE A 113 56.973 -1.742 2.406 1.00 0.00 H new ATOM 0 HG22 ILE A 113 57.783 -3.200 3.026 1.00 0.00 H new ATOM 0 HG23 ILE A 113 56.047 -2.951 3.325 1.00 0.00 H new ATOM 0 HD11 ILE A 113 56.088 1.223 5.810 1.00 0.00 H new ATOM 0 HD12 ILE A 113 57.255 0.103 6.554 1.00 0.00 H new ATOM 0 HD13 ILE A 113 57.666 0.939 5.037 1.00 0.00 H new ATOM 398 N ASP A 114 57.776 -5.114 5.504 1.00 0.00 N ATOM 399 CA ASP A 114 58.587 -6.321 5.171 1.00 0.00 C ATOM 400 C ASP A 114 58.382 -6.720 3.708 1.00 0.00 C ATOM 401 O ASP A 114 57.698 -6.051 2.960 1.00 0.00 O ATOM 402 CB ASP A 114 58.065 -7.418 6.099 1.00 0.00 C ATOM 403 CG ASP A 114 56.588 -7.679 5.802 1.00 0.00 C ATOM 404 OD1 ASP A 114 56.284 -8.028 4.673 1.00 0.00 O ATOM 405 OD2 ASP A 114 55.785 -7.525 6.708 1.00 0.00 O ATOM 0 H ASP A 114 56.846 -5.304 5.876 1.00 0.00 H new ATOM 0 HA ASP A 114 59.654 -6.144 5.303 1.00 0.00 H new ATOM 0 HB2 ASP A 114 58.642 -8.332 5.959 1.00 0.00 H new ATOM 0 HB3 ASP A 114 58.190 -7.118 7.140 1.00 0.00 H new ATOM 410 N ILE A 115 58.973 -7.808 3.298 1.00 0.00 N ATOM 411 CA ILE A 115 58.818 -8.258 1.886 1.00 0.00 C ATOM 412 C ILE A 115 57.361 -8.645 1.614 1.00 0.00 C ATOM 413 O ILE A 115 56.813 -8.347 0.571 1.00 0.00 O ATOM 414 CB ILE A 115 59.729 -9.479 1.760 1.00 0.00 C ATOM 415 CG1 ILE A 115 59.887 -9.849 0.284 1.00 0.00 C ATOM 416 CG2 ILE A 115 59.113 -10.657 2.516 1.00 0.00 C ATOM 417 CD1 ILE A 115 61.126 -9.156 -0.287 1.00 0.00 C ATOM 0 H ILE A 115 59.558 -8.406 3.881 1.00 0.00 H new ATOM 0 HA ILE A 115 59.079 -7.478 1.171 1.00 0.00 H new ATOM 0 HB ILE A 115 60.706 -9.246 2.183 1.00 0.00 H new ATOM 0 HG12 ILE A 115 59.980 -10.930 0.177 1.00 0.00 H new ATOM 0 HG13 ILE A 115 59.000 -9.549 -0.274 1.00 0.00 H new ATOM 0 HG21 ILE A 115 59.763 -11.527 2.426 1.00 0.00 H new ATOM 0 HG22 ILE A 115 59.001 -10.395 3.568 1.00 0.00 H new ATOM 0 HG23 ILE A 115 58.135 -10.889 2.094 1.00 0.00 H new ATOM 0 HD11 ILE A 115 61.238 -9.420 -1.339 1.00 0.00 H new ATOM 0 HD12 ILE A 115 61.014 -8.076 -0.194 1.00 0.00 H new ATOM 0 HD13 ILE A 115 62.010 -9.478 0.264 1.00 0.00 H new ATOM 429 N GLU A 116 56.732 -9.307 2.546 1.00 0.00 N ATOM 430 CA GLU A 116 55.311 -9.714 2.344 1.00 0.00 C ATOM 431 C GLU A 116 54.454 -8.494 1.999 1.00 0.00 C ATOM 432 O GLU A 116 53.736 -8.486 1.019 1.00 0.00 O ATOM 433 CB GLU A 116 54.879 -10.314 3.682 1.00 0.00 C ATOM 434 CG GLU A 116 54.618 -11.810 3.510 1.00 0.00 C ATOM 435 CD GLU A 116 55.289 -12.580 4.647 1.00 0.00 C ATOM 436 OE1 GLU A 116 54.858 -12.424 5.778 1.00 0.00 O ATOM 437 OE2 GLU A 116 56.222 -13.315 4.368 1.00 0.00 O ATOM 0 H GLU A 116 57.140 -9.584 3.439 1.00 0.00 H new ATOM 0 HA GLU A 116 55.196 -10.422 1.523 1.00 0.00 H new ATOM 0 HB2 GLU A 116 55.654 -10.153 4.432 1.00 0.00 H new ATOM 0 HB3 GLU A 116 53.979 -9.816 4.042 1.00 0.00 H new ATOM 0 HG2 GLU A 116 53.546 -12.005 3.508 1.00 0.00 H new ATOM 0 HG3 GLU A 116 55.005 -12.149 2.549 1.00 0.00 H new ATOM 444 N GLU A 117 54.521 -7.466 2.799 1.00 0.00 N ATOM 445 CA GLU A 117 53.709 -6.248 2.516 1.00 0.00 C ATOM 446 C GLU A 117 53.937 -5.779 1.077 1.00 0.00 C ATOM 447 O GLU A 117 53.009 -5.445 0.368 1.00 0.00 O ATOM 448 CB GLU A 117 54.205 -5.200 3.512 1.00 0.00 C ATOM 449 CG GLU A 117 53.782 -5.602 4.926 1.00 0.00 C ATOM 450 CD GLU A 117 54.172 -4.500 5.911 1.00 0.00 C ATOM 451 OE1 GLU A 117 53.974 -3.342 5.583 1.00 0.00 O ATOM 452 OE2 GLU A 117 54.664 -4.832 6.976 1.00 0.00 O ATOM 0 H GLU A 117 55.102 -7.416 3.636 1.00 0.00 H new ATOM 0 HA GLU A 117 52.640 -6.432 2.620 1.00 0.00 H new ATOM 0 HB2 GLU A 117 55.290 -5.114 3.456 1.00 0.00 H new ATOM 0 HB3 GLU A 117 53.794 -4.222 3.262 1.00 0.00 H new ATOM 0 HG2 GLU A 117 52.706 -5.770 4.960 1.00 0.00 H new ATOM 0 HG3 GLU A 117 54.260 -6.540 5.207 1.00 0.00 H new ATOM 459 N LEU A 118 55.165 -5.750 0.638 1.00 0.00 N ATOM 460 CA LEU A 118 55.447 -5.302 -0.756 1.00 0.00 C ATOM 461 C LEU A 118 54.598 -6.098 -1.751 1.00 0.00 C ATOM 462 O LEU A 118 53.913 -5.542 -2.586 1.00 0.00 O ATOM 463 CB LEU A 118 56.931 -5.592 -0.978 1.00 0.00 C ATOM 464 CG LEU A 118 57.541 -4.494 -1.852 1.00 0.00 C ATOM 465 CD1 LEU A 118 56.861 -4.497 -3.222 1.00 0.00 C ATOM 466 CD2 LEU A 118 57.332 -3.134 -1.182 1.00 0.00 C ATOM 0 H LEU A 118 55.985 -6.017 1.183 1.00 0.00 H new ATOM 0 HA LEU A 118 55.210 -4.248 -0.902 1.00 0.00 H new ATOM 0 HB2 LEU A 118 57.450 -5.640 -0.021 1.00 0.00 H new ATOM 0 HB3 LEU A 118 57.055 -6.563 -1.457 1.00 0.00 H new ATOM 0 HG LEU A 118 58.608 -4.678 -1.975 1.00 0.00 H new ATOM 0 HD11 LEU A 118 57.295 -3.715 -3.845 1.00 0.00 H new ATOM 0 HD12 LEU A 118 57.009 -5.466 -3.700 1.00 0.00 H new ATOM 0 HD13 LEU A 118 55.794 -4.312 -3.099 1.00 0.00 H new ATOM 0 HD21 LEU A 118 57.766 -2.351 -1.804 1.00 0.00 H new ATOM 0 HD22 LEU A 118 56.265 -2.949 -1.059 1.00 0.00 H new ATOM 0 HD23 LEU A 118 57.816 -3.131 -0.205 1.00 0.00 H new ATOM 478 N GLY A 119 54.648 -7.399 -1.671 1.00 0.00 N ATOM 479 CA GLY A 119 53.856 -8.239 -2.613 1.00 0.00 C ATOM 480 C GLY A 119 52.367 -7.913 -2.485 1.00 0.00 C ATOM 481 O GLY A 119 51.756 -7.395 -3.398 1.00 0.00 O ATOM 0 H GLY A 119 55.205 -7.918 -0.992 1.00 0.00 H new ATOM 0 HA2 GLY A 119 54.188 -8.063 -3.636 1.00 0.00 H new ATOM 0 HA3 GLY A 119 54.024 -9.295 -2.400 1.00 0.00 H new ATOM 485 N GLU A 120 51.772 -8.219 -1.364 1.00 0.00 N ATOM 486 CA GLU A 120 50.318 -7.932 -1.195 1.00 0.00 C ATOM 487 C GLU A 120 50.001 -6.499 -1.632 1.00 0.00 C ATOM 488 O GLU A 120 49.046 -6.257 -2.341 1.00 0.00 O ATOM 489 CB GLU A 120 50.034 -8.127 0.297 1.00 0.00 C ATOM 490 CG GLU A 120 50.745 -7.048 1.115 1.00 0.00 C ATOM 491 CD GLU A 120 50.494 -7.293 2.605 1.00 0.00 C ATOM 492 OE1 GLU A 120 50.117 -8.402 2.946 1.00 0.00 O ATOM 493 OE2 GLU A 120 50.680 -6.367 3.377 1.00 0.00 O ATOM 0 H GLU A 120 52.227 -8.653 -0.561 1.00 0.00 H new ATOM 0 HA GLU A 120 49.699 -8.587 -1.807 1.00 0.00 H new ATOM 0 HB2 GLU A 120 48.960 -8.083 0.479 1.00 0.00 H new ATOM 0 HB3 GLU A 120 50.371 -9.114 0.613 1.00 0.00 H new ATOM 0 HG2 GLU A 120 51.815 -7.064 0.907 1.00 0.00 H new ATOM 0 HG3 GLU A 120 50.380 -6.061 0.831 1.00 0.00 H new ATOM 500 N ILE A 121 50.794 -5.546 -1.220 1.00 0.00 N ATOM 501 CA ILE A 121 50.527 -4.134 -1.621 1.00 0.00 C ATOM 502 C ILE A 121 50.393 -4.039 -3.144 1.00 0.00 C ATOM 503 O ILE A 121 49.365 -3.653 -3.663 1.00 0.00 O ATOM 504 CB ILE A 121 51.743 -3.344 -1.128 1.00 0.00 C ATOM 505 CG1 ILE A 121 51.596 -3.076 0.373 1.00 0.00 C ATOM 506 CG2 ILE A 121 51.830 -2.009 -1.873 1.00 0.00 C ATOM 507 CD1 ILE A 121 52.780 -2.239 0.861 1.00 0.00 C ATOM 0 H ILE A 121 51.612 -5.683 -0.626 1.00 0.00 H new ATOM 0 HA ILE A 121 49.599 -3.748 -1.198 1.00 0.00 H new ATOM 0 HB ILE A 121 52.649 -3.921 -1.314 1.00 0.00 H new ATOM 0 HG12 ILE A 121 50.661 -2.552 0.570 1.00 0.00 H new ATOM 0 HG13 ILE A 121 51.554 -4.018 0.919 1.00 0.00 H new ATOM 0 HG21 ILE A 121 52.697 -1.451 -1.519 1.00 0.00 H new ATOM 0 HG22 ILE A 121 51.930 -2.195 -2.942 1.00 0.00 H new ATOM 0 HG23 ILE A 121 50.925 -1.430 -1.689 1.00 0.00 H new ATOM 0 HD11 ILE A 121 52.675 -2.048 1.929 1.00 0.00 H new ATOM 0 HD12 ILE A 121 53.708 -2.780 0.678 1.00 0.00 H new ATOM 0 HD13 ILE A 121 52.801 -1.291 0.324 1.00 0.00 H new ATOM 519 N LEU A 122 51.422 -4.397 -3.863 1.00 0.00 N ATOM 520 CA LEU A 122 51.348 -4.333 -5.351 1.00 0.00 C ATOM 521 C LEU A 122 50.286 -5.310 -5.863 1.00 0.00 C ATOM 522 O LEU A 122 49.563 -5.025 -6.795 1.00 0.00 O ATOM 523 CB LEU A 122 52.735 -4.750 -5.838 1.00 0.00 C ATOM 524 CG LEU A 122 53.661 -3.534 -5.858 1.00 0.00 C ATOM 525 CD1 LEU A 122 55.084 -3.984 -6.192 1.00 0.00 C ATOM 526 CD2 LEU A 122 53.177 -2.544 -6.921 1.00 0.00 C ATOM 0 H LEU A 122 52.309 -4.730 -3.486 1.00 0.00 H new ATOM 0 HA LEU A 122 51.074 -3.341 -5.710 1.00 0.00 H new ATOM 0 HB2 LEU A 122 53.144 -5.520 -5.184 1.00 0.00 H new ATOM 0 HB3 LEU A 122 52.666 -5.183 -6.836 1.00 0.00 H new ATOM 0 HG LEU A 122 53.652 -3.052 -4.880 1.00 0.00 H new ATOM 0 HD11 LEU A 122 55.746 -3.118 -6.207 1.00 0.00 H new ATOM 0 HD12 LEU A 122 55.429 -4.691 -5.437 1.00 0.00 H new ATOM 0 HD13 LEU A 122 55.093 -4.464 -7.170 1.00 0.00 H new ATOM 0 HD21 LEU A 122 53.836 -1.676 -6.937 1.00 0.00 H new ATOM 0 HD22 LEU A 122 53.188 -3.026 -7.899 1.00 0.00 H new ATOM 0 HD23 LEU A 122 52.162 -2.224 -6.685 1.00 0.00 H new ATOM 538 N ARG A 123 50.191 -6.462 -5.262 1.00 0.00 N ATOM 539 CA ARG A 123 49.179 -7.459 -5.716 1.00 0.00 C ATOM 540 C ARG A 123 47.762 -6.921 -5.494 1.00 0.00 C ATOM 541 O ARG A 123 46.894 -7.072 -6.331 1.00 0.00 O ATOM 542 CB ARG A 123 49.429 -8.695 -4.852 1.00 0.00 C ATOM 543 CG ARG A 123 50.454 -9.599 -5.540 1.00 0.00 C ATOM 544 CD ARG A 123 50.071 -11.064 -5.319 1.00 0.00 C ATOM 545 NE ARG A 123 51.268 -11.683 -4.687 1.00 0.00 N ATOM 546 CZ ARG A 123 51.151 -12.799 -4.023 1.00 0.00 C ATOM 547 NH1 ARG A 123 50.410 -12.845 -2.949 1.00 0.00 N ATOM 548 NH2 ARG A 123 51.774 -13.871 -4.432 1.00 0.00 N ATOM 0 H ARG A 123 50.770 -6.758 -4.476 1.00 0.00 H new ATOM 0 HA ARG A 123 49.266 -7.680 -6.780 1.00 0.00 H new ATOM 0 HB2 ARG A 123 49.793 -8.397 -3.869 1.00 0.00 H new ATOM 0 HB3 ARG A 123 48.497 -9.237 -4.696 1.00 0.00 H new ATOM 0 HG2 ARG A 123 50.491 -9.379 -6.607 1.00 0.00 H new ATOM 0 HG3 ARG A 123 51.450 -9.408 -5.140 1.00 0.00 H new ATOM 0 HD2 ARG A 123 49.196 -11.150 -4.675 1.00 0.00 H new ATOM 0 HD3 ARG A 123 49.824 -11.554 -6.261 1.00 0.00 H new ATOM 0 HE ARG A 123 52.180 -11.234 -4.773 1.00 0.00 H new ATOM 0 HH11 ARG A 123 49.923 -12.008 -2.629 1.00 0.00 H new ATOM 0 HH12 ARG A 123 50.318 -13.718 -2.430 1.00 0.00 H new ATOM 0 HH21 ARG A 123 52.353 -13.836 -5.271 1.00 0.00 H new ATOM 0 HH22 ARG A 123 51.682 -14.744 -3.912 1.00 0.00 H new ATOM 562 N ALA A 124 47.520 -6.295 -4.373 1.00 0.00 N ATOM 563 CA ALA A 124 46.158 -5.751 -4.104 1.00 0.00 C ATOM 564 C ALA A 124 45.725 -4.819 -5.240 1.00 0.00 C ATOM 565 O ALA A 124 44.581 -4.810 -5.648 1.00 0.00 O ATOM 566 CB ALA A 124 46.290 -4.970 -2.795 1.00 0.00 C ATOM 0 H ALA A 124 48.205 -6.137 -3.634 1.00 0.00 H new ATOM 0 HA ALA A 124 45.408 -6.539 -4.035 1.00 0.00 H new ATOM 0 HB1 ALA A 124 45.325 -4.538 -2.530 1.00 0.00 H new ATOM 0 HB2 ALA A 124 46.617 -5.642 -2.002 1.00 0.00 H new ATOM 0 HB3 ALA A 124 47.023 -4.172 -2.919 1.00 0.00 H new ATOM 572 N THR A 125 46.634 -4.032 -5.750 1.00 0.00 N ATOM 573 CA THR A 125 46.276 -3.098 -6.857 1.00 0.00 C ATOM 574 C THR A 125 45.669 -3.873 -8.031 1.00 0.00 C ATOM 575 O THR A 125 44.993 -3.315 -8.872 1.00 0.00 O ATOM 576 CB THR A 125 47.596 -2.446 -7.271 1.00 0.00 C ATOM 577 OG1 THR A 125 48.397 -3.398 -7.956 1.00 0.00 O ATOM 578 CG2 THR A 125 48.335 -1.949 -6.027 1.00 0.00 C ATOM 0 H THR A 125 47.608 -3.995 -5.449 1.00 0.00 H new ATOM 0 HA THR A 125 45.536 -2.360 -6.548 1.00 0.00 H new ATOM 0 HB THR A 125 47.395 -1.601 -7.930 1.00 0.00 H new ATOM 0 HG1 THR A 125 48.590 -4.152 -7.360 1.00 0.00 H new ATOM 0 HG21 THR A 125 49.275 -1.485 -6.324 1.00 0.00 H new ATOM 0 HG22 THR A 125 47.718 -1.218 -5.505 1.00 0.00 H new ATOM 0 HG23 THR A 125 48.539 -2.790 -5.365 1.00 0.00 H new ATOM 586 N GLY A 126 45.905 -5.154 -8.095 1.00 0.00 N ATOM 587 CA GLY A 126 45.340 -5.960 -9.216 1.00 0.00 C ATOM 588 C GLY A 126 46.404 -6.152 -10.297 1.00 0.00 C ATOM 589 O GLY A 126 46.099 -6.265 -11.468 1.00 0.00 O ATOM 0 H GLY A 126 46.464 -5.678 -7.421 1.00 0.00 H new ATOM 0 HA2 GLY A 126 45.003 -6.929 -8.847 1.00 0.00 H new ATOM 0 HA3 GLY A 126 44.468 -5.458 -9.635 1.00 0.00 H new ATOM 593 N GLU A 127 47.651 -6.192 -9.916 1.00 0.00 N ATOM 594 CA GLU A 127 48.732 -6.379 -10.924 1.00 0.00 C ATOM 595 C GLU A 127 49.521 -7.654 -10.617 1.00 0.00 C ATOM 596 O GLU A 127 49.393 -8.233 -9.556 1.00 0.00 O ATOM 597 CB GLU A 127 49.626 -5.147 -10.782 1.00 0.00 C ATOM 598 CG GLU A 127 49.207 -4.092 -11.807 1.00 0.00 C ATOM 599 CD GLU A 127 49.833 -4.419 -13.163 1.00 0.00 C ATOM 600 OE1 GLU A 127 50.115 -5.583 -13.398 1.00 0.00 O ATOM 601 OE2 GLU A 127 50.021 -3.501 -13.945 1.00 0.00 O ATOM 0 H GLU A 127 47.968 -6.103 -8.951 1.00 0.00 H new ATOM 0 HA GLU A 127 48.341 -6.482 -11.936 1.00 0.00 H new ATOM 0 HB2 GLU A 127 49.547 -4.741 -9.773 1.00 0.00 H new ATOM 0 HB3 GLU A 127 50.670 -5.422 -10.934 1.00 0.00 H new ATOM 0 HG2 GLU A 127 48.121 -4.065 -11.893 1.00 0.00 H new ATOM 0 HG3 GLU A 127 49.525 -3.103 -11.477 1.00 0.00 H new ATOM 608 N HIS A 128 50.335 -8.099 -11.534 1.00 0.00 N ATOM 609 CA HIS A 128 51.127 -9.339 -11.290 1.00 0.00 C ATOM 610 C HIS A 128 52.618 -9.007 -11.197 1.00 0.00 C ATOM 611 O HIS A 128 53.379 -9.259 -12.110 1.00 0.00 O ATOM 612 CB HIS A 128 50.850 -10.234 -12.499 1.00 0.00 C ATOM 613 CG HIS A 128 51.297 -9.539 -13.755 1.00 0.00 C ATOM 614 ND1 HIS A 128 50.497 -8.620 -14.416 1.00 0.00 N ATOM 615 CD2 HIS A 128 52.457 -9.621 -14.485 1.00 0.00 C ATOM 616 CE1 HIS A 128 51.180 -8.189 -15.492 1.00 0.00 C ATOM 617 NE2 HIS A 128 52.381 -8.766 -15.582 1.00 0.00 N ATOM 0 H HIS A 128 50.486 -7.658 -12.441 1.00 0.00 H new ATOM 0 HA HIS A 128 50.852 -9.825 -10.354 1.00 0.00 H new ATOM 0 HB2 HIS A 128 51.376 -11.183 -12.390 1.00 0.00 H new ATOM 0 HB3 HIS A 128 49.786 -10.464 -12.558 1.00 0.00 H new ATOM 0 HD2 HIS A 128 53.300 -10.252 -14.245 1.00 0.00 H new ATOM 0 HE1 HIS A 128 50.803 -7.464 -16.198 1.00 0.00 H new ATOM 0 HE2 HIS A 128 53.090 -8.613 -16.299 1.00 0.00 H new ATOM 625 N VAL A 129 53.043 -8.444 -10.097 1.00 0.00 N ATOM 626 CA VAL A 129 54.486 -8.099 -9.945 1.00 0.00 C ATOM 627 C VAL A 129 55.274 -9.329 -9.487 1.00 0.00 C ATOM 628 O VAL A 129 54.878 -10.030 -8.577 1.00 0.00 O ATOM 629 CB VAL A 129 54.520 -7.007 -8.876 1.00 0.00 C ATOM 630 CG1 VAL A 129 55.890 -6.326 -8.885 1.00 0.00 C ATOM 631 CG2 VAL A 129 53.435 -5.970 -9.174 1.00 0.00 C ATOM 0 H VAL A 129 52.454 -8.209 -9.298 1.00 0.00 H new ATOM 0 HA VAL A 129 54.935 -7.765 -10.880 1.00 0.00 H new ATOM 0 HB VAL A 129 54.341 -7.451 -7.897 1.00 0.00 H new ATOM 0 HG11 VAL A 129 55.914 -5.547 -8.123 1.00 0.00 H new ATOM 0 HG12 VAL A 129 56.664 -7.064 -8.675 1.00 0.00 H new ATOM 0 HG13 VAL A 129 56.069 -5.881 -9.864 1.00 0.00 H new ATOM 0 HG21 VAL A 129 53.458 -5.190 -8.413 1.00 0.00 H new ATOM 0 HG22 VAL A 129 53.615 -5.526 -10.153 1.00 0.00 H new ATOM 0 HG23 VAL A 129 52.458 -6.454 -9.169 1.00 0.00 H new ATOM 641 N ILE A 130 56.387 -9.599 -10.115 1.00 0.00 N ATOM 642 CA ILE A 130 57.197 -10.785 -9.719 1.00 0.00 C ATOM 643 C ILE A 130 58.134 -10.431 -8.561 1.00 0.00 C ATOM 644 O ILE A 130 58.533 -9.295 -8.397 1.00 0.00 O ATOM 645 CB ILE A 130 58.001 -11.145 -10.968 1.00 0.00 C ATOM 646 CG1 ILE A 130 58.835 -9.937 -11.401 1.00 0.00 C ATOM 647 CG2 ILE A 130 57.043 -11.534 -12.095 1.00 0.00 C ATOM 648 CD1 ILE A 130 59.994 -10.404 -12.283 1.00 0.00 C ATOM 0 H ILE A 130 56.769 -9.049 -10.885 1.00 0.00 H new ATOM 0 HA ILE A 130 56.576 -11.613 -9.377 1.00 0.00 H new ATOM 0 HB ILE A 130 58.662 -11.983 -10.748 1.00 0.00 H new ATOM 0 HG12 ILE A 130 58.212 -9.229 -11.947 1.00 0.00 H new ATOM 0 HG13 ILE A 130 59.219 -9.414 -10.525 1.00 0.00 H new ATOM 0 HG21 ILE A 130 57.615 -11.791 -12.986 1.00 0.00 H new ATOM 0 HG22 ILE A 130 56.447 -12.393 -11.786 1.00 0.00 H new ATOM 0 HG23 ILE A 130 56.383 -10.696 -12.317 1.00 0.00 H new ATOM 0 HD11 ILE A 130 60.587 -9.543 -12.591 1.00 0.00 H new ATOM 0 HD12 ILE A 130 60.622 -11.096 -11.722 1.00 0.00 H new ATOM 0 HD13 ILE A 130 59.600 -10.907 -13.166 1.00 0.00 H new ATOM 660 N GLU A 131 58.486 -11.395 -7.755 1.00 0.00 N ATOM 661 CA GLU A 131 59.395 -11.116 -6.606 1.00 0.00 C ATOM 662 C GLU A 131 60.659 -10.397 -7.091 1.00 0.00 C ATOM 663 O GLU A 131 61.170 -9.512 -6.434 1.00 0.00 O ATOM 664 CB GLU A 131 59.748 -12.492 -6.038 1.00 0.00 C ATOM 665 CG GLU A 131 58.470 -13.198 -5.576 1.00 0.00 C ATOM 666 CD GLU A 131 58.439 -13.249 -4.048 1.00 0.00 C ATOM 667 OE1 GLU A 131 59.407 -13.717 -3.471 1.00 0.00 O ATOM 668 OE2 GLU A 131 57.448 -12.821 -3.480 1.00 0.00 O ATOM 0 H GLU A 131 58.183 -12.365 -7.842 1.00 0.00 H new ATOM 0 HA GLU A 131 58.930 -10.472 -5.860 1.00 0.00 H new ATOM 0 HB2 GLU A 131 60.253 -13.091 -6.796 1.00 0.00 H new ATOM 0 HB3 GLU A 131 60.440 -12.386 -5.202 1.00 0.00 H new ATOM 0 HG2 GLU A 131 57.594 -12.669 -5.951 1.00 0.00 H new ATOM 0 HG3 GLU A 131 58.432 -14.208 -5.985 1.00 0.00 H new ATOM 675 N GLU A 132 61.166 -10.775 -8.233 1.00 0.00 N ATOM 676 CA GLU A 132 62.400 -10.120 -8.762 1.00 0.00 C ATOM 677 C GLU A 132 62.361 -8.611 -8.511 1.00 0.00 C ATOM 678 O GLU A 132 63.364 -7.999 -8.200 1.00 0.00 O ATOM 679 CB GLU A 132 62.393 -10.415 -10.263 1.00 0.00 C ATOM 680 CG GLU A 132 63.633 -11.233 -10.626 1.00 0.00 C ATOM 681 CD GLU A 132 63.264 -12.286 -11.672 1.00 0.00 C ATOM 682 OE1 GLU A 132 62.684 -11.914 -12.679 1.00 0.00 O ATOM 683 OE2 GLU A 132 63.567 -13.447 -11.449 1.00 0.00 O ATOM 0 H GLU A 132 60.779 -11.510 -8.825 1.00 0.00 H new ATOM 0 HA GLU A 132 63.301 -10.493 -8.275 1.00 0.00 H new ATOM 0 HB2 GLU A 132 61.490 -10.963 -10.533 1.00 0.00 H new ATOM 0 HB3 GLU A 132 62.381 -9.483 -10.828 1.00 0.00 H new ATOM 0 HG2 GLU A 132 64.413 -10.578 -11.014 1.00 0.00 H new ATOM 0 HG3 GLU A 132 64.036 -11.716 -9.736 1.00 0.00 H new ATOM 690 N ASP A 133 61.213 -8.004 -8.639 1.00 0.00 N ATOM 691 CA ASP A 133 61.117 -6.536 -8.402 1.00 0.00 C ATOM 692 C ASP A 133 60.802 -6.273 -6.930 1.00 0.00 C ATOM 693 O ASP A 133 61.407 -5.434 -6.293 1.00 0.00 O ATOM 694 CB ASP A 133 59.972 -6.064 -9.296 1.00 0.00 C ATOM 695 CG ASP A 133 60.512 -5.096 -10.350 1.00 0.00 C ATOM 696 OD1 ASP A 133 61.658 -5.256 -10.741 1.00 0.00 O ATOM 697 OD2 ASP A 133 59.773 -4.211 -10.749 1.00 0.00 O ATOM 0 H ASP A 133 60.338 -8.461 -8.897 1.00 0.00 H new ATOM 0 HA ASP A 133 62.045 -6.011 -8.630 1.00 0.00 H new ATOM 0 HB2 ASP A 133 59.499 -6.918 -9.780 1.00 0.00 H new ATOM 0 HB3 ASP A 133 59.206 -5.574 -8.695 1.00 0.00 H new ATOM 702 N ILE A 134 59.863 -6.995 -6.384 1.00 0.00 N ATOM 703 CA ILE A 134 59.511 -6.800 -4.950 1.00 0.00 C ATOM 704 C ILE A 134 60.750 -7.017 -4.080 1.00 0.00 C ATOM 705 O ILE A 134 60.968 -6.326 -3.104 1.00 0.00 O ATOM 706 CB ILE A 134 58.460 -7.864 -4.658 1.00 0.00 C ATOM 707 CG1 ILE A 134 57.253 -7.636 -5.568 1.00 0.00 C ATOM 708 CG2 ILE A 134 58.026 -7.765 -3.193 1.00 0.00 C ATOM 709 CD1 ILE A 134 56.146 -8.622 -5.205 1.00 0.00 C ATOM 0 H ILE A 134 59.324 -7.712 -6.869 1.00 0.00 H new ATOM 0 HA ILE A 134 59.142 -5.796 -4.741 1.00 0.00 H new ATOM 0 HB ILE A 134 58.876 -8.854 -4.842 1.00 0.00 H new ATOM 0 HG12 ILE A 134 56.892 -6.613 -5.461 1.00 0.00 H new ATOM 0 HG13 ILE A 134 57.541 -7.765 -6.611 1.00 0.00 H new ATOM 0 HG21 ILE A 134 57.274 -8.526 -2.984 1.00 0.00 H new ATOM 0 HG22 ILE A 134 58.890 -7.921 -2.546 1.00 0.00 H new ATOM 0 HG23 ILE A 134 57.605 -6.778 -3.004 1.00 0.00 H new ATOM 0 HD11 ILE A 134 55.286 -8.459 -5.854 1.00 0.00 H new ATOM 0 HD12 ILE A 134 56.510 -9.641 -5.334 1.00 0.00 H new ATOM 0 HD13 ILE A 134 55.851 -8.471 -4.167 1.00 0.00 H new ATOM 721 N GLU A 135 61.565 -7.975 -4.431 1.00 0.00 N ATOM 722 CA GLU A 135 62.795 -8.241 -3.631 1.00 0.00 C ATOM 723 C GLU A 135 63.782 -7.081 -3.781 1.00 0.00 C ATOM 724 O GLU A 135 64.469 -6.713 -2.848 1.00 0.00 O ATOM 725 CB GLU A 135 63.381 -9.526 -4.218 1.00 0.00 C ATOM 726 CG GLU A 135 62.356 -10.657 -4.104 1.00 0.00 C ATOM 727 CD GLU A 135 63.030 -11.906 -3.534 1.00 0.00 C ATOM 728 OE1 GLU A 135 63.659 -12.616 -4.302 1.00 0.00 O ATOM 729 OE2 GLU A 135 62.905 -12.132 -2.343 1.00 0.00 O ATOM 0 H GLU A 135 61.432 -8.585 -5.238 1.00 0.00 H new ATOM 0 HA GLU A 135 62.583 -8.342 -2.567 1.00 0.00 H new ATOM 0 HB2 GLU A 135 63.651 -9.370 -5.262 1.00 0.00 H new ATOM 0 HB3 GLU A 135 64.295 -9.795 -3.689 1.00 0.00 H new ATOM 0 HG2 GLU A 135 61.532 -10.351 -3.460 1.00 0.00 H new ATOM 0 HG3 GLU A 135 61.931 -10.876 -5.083 1.00 0.00 H new ATOM 736 N ASP A 136 63.855 -6.501 -4.947 1.00 0.00 N ATOM 737 CA ASP A 136 64.795 -5.363 -5.158 1.00 0.00 C ATOM 738 C ASP A 136 64.476 -4.227 -4.182 1.00 0.00 C ATOM 739 O ASP A 136 65.349 -3.697 -3.524 1.00 0.00 O ATOM 740 CB ASP A 136 64.555 -4.915 -6.599 1.00 0.00 C ATOM 741 CG ASP A 136 65.841 -4.314 -7.170 1.00 0.00 C ATOM 742 OD1 ASP A 136 66.787 -4.164 -6.415 1.00 0.00 O ATOM 743 OD2 ASP A 136 65.857 -4.015 -8.353 1.00 0.00 O ATOM 0 H ASP A 136 63.304 -6.766 -5.764 1.00 0.00 H new ATOM 0 HA ASP A 136 65.833 -5.646 -4.987 1.00 0.00 H new ATOM 0 HB2 ASP A 136 64.237 -5.763 -7.206 1.00 0.00 H new ATOM 0 HB3 ASP A 136 63.751 -4.179 -6.633 1.00 0.00 H new ATOM 748 N LEU A 137 63.231 -3.848 -4.086 1.00 0.00 N ATOM 749 CA LEU A 137 62.855 -2.746 -3.152 1.00 0.00 C ATOM 750 C LEU A 137 63.461 -2.996 -1.768 1.00 0.00 C ATOM 751 O LEU A 137 64.001 -2.103 -1.145 1.00 0.00 O ATOM 752 CB LEU A 137 61.328 -2.788 -3.084 1.00 0.00 C ATOM 753 CG LEU A 137 60.745 -2.473 -4.462 1.00 0.00 C ATOM 754 CD1 LEU A 137 59.220 -2.575 -4.407 1.00 0.00 C ATOM 755 CD2 LEU A 137 61.145 -1.055 -4.873 1.00 0.00 C ATOM 0 H LEU A 137 62.457 -4.253 -4.613 1.00 0.00 H new ATOM 0 HA LEU A 137 63.221 -1.776 -3.489 1.00 0.00 H new ATOM 0 HB2 LEU A 137 60.995 -3.772 -2.753 1.00 0.00 H new ATOM 0 HB3 LEU A 137 60.966 -2.067 -2.351 1.00 0.00 H new ATOM 0 HG LEU A 137 61.131 -3.186 -5.190 1.00 0.00 H new ATOM 0 HD11 LEU A 137 58.805 -2.350 -5.389 1.00 0.00 H new ATOM 0 HD12 LEU A 137 58.933 -3.585 -4.114 1.00 0.00 H new ATOM 0 HD13 LEU A 137 58.834 -1.862 -3.678 1.00 0.00 H new ATOM 0 HD21 LEU A 137 60.730 -0.830 -5.855 1.00 0.00 H new ATOM 0 HD22 LEU A 137 60.759 -0.342 -4.144 1.00 0.00 H new ATOM 0 HD23 LEU A 137 62.232 -0.981 -4.913 1.00 0.00 H new ATOM 767 N MET A 138 63.378 -4.205 -1.284 1.00 0.00 N ATOM 768 CA MET A 138 63.950 -4.512 0.058 1.00 0.00 C ATOM 769 C MET A 138 65.477 -4.438 0.007 1.00 0.00 C ATOM 770 O MET A 138 66.106 -3.812 0.836 1.00 0.00 O ATOM 771 CB MET A 138 63.492 -5.937 0.366 1.00 0.00 C ATOM 772 CG MET A 138 63.371 -6.119 1.879 1.00 0.00 C ATOM 773 SD MET A 138 61.692 -6.658 2.289 1.00 0.00 S ATOM 774 CE MET A 138 60.927 -5.018 2.312 1.00 0.00 C ATOM 0 H MET A 138 62.939 -4.993 -1.759 1.00 0.00 H new ATOM 0 HA MET A 138 63.622 -3.806 0.821 1.00 0.00 H new ATOM 0 HB2 MET A 138 62.532 -6.133 -0.112 1.00 0.00 H new ATOM 0 HB3 MET A 138 64.204 -6.655 -0.041 1.00 0.00 H new ATOM 0 HG2 MET A 138 64.096 -6.855 2.227 1.00 0.00 H new ATOM 0 HG3 MET A 138 63.598 -5.182 2.388 1.00 0.00 H new ATOM 0 HE1 MET A 138 59.855 -5.114 2.140 1.00 0.00 H new ATOM 0 HE2 MET A 138 61.098 -4.550 3.281 1.00 0.00 H new ATOM 0 HE3 MET A 138 61.366 -4.401 1.528 1.00 0.00 H new ATOM 784 N LYS A 139 66.077 -5.071 -0.963 1.00 0.00 N ATOM 785 CA LYS A 139 67.562 -5.037 -1.070 1.00 0.00 C ATOM 786 C LYS A 139 68.050 -3.586 -1.114 1.00 0.00 C ATOM 787 O LYS A 139 69.095 -3.254 -0.587 1.00 0.00 O ATOM 788 CB LYS A 139 67.883 -5.750 -2.383 1.00 0.00 C ATOM 789 CG LYS A 139 68.139 -7.234 -2.110 1.00 0.00 C ATOM 790 CD LYS A 139 69.363 -7.696 -2.903 1.00 0.00 C ATOM 791 CE LYS A 139 69.434 -9.225 -2.893 1.00 0.00 C ATOM 792 NZ LYS A 139 70.540 -9.552 -1.952 1.00 0.00 N ATOM 0 H LYS A 139 65.602 -5.611 -1.687 1.00 0.00 H new ATOM 0 HA LYS A 139 68.050 -5.514 -0.220 1.00 0.00 H new ATOM 0 HB2 LYS A 139 67.055 -5.636 -3.083 1.00 0.00 H new ATOM 0 HB3 LYS A 139 68.759 -5.299 -2.849 1.00 0.00 H new ATOM 0 HG2 LYS A 139 68.301 -7.396 -1.044 1.00 0.00 H new ATOM 0 HG3 LYS A 139 67.266 -7.822 -2.393 1.00 0.00 H new ATOM 0 HD2 LYS A 139 69.303 -7.331 -3.928 1.00 0.00 H new ATOM 0 HD3 LYS A 139 70.270 -7.277 -2.468 1.00 0.00 H new ATOM 0 HE2 LYS A 139 68.492 -9.662 -2.562 1.00 0.00 H new ATOM 0 HE3 LYS A 139 69.635 -9.618 -3.890 1.00 0.00 H new ATOM 0 HZ1 LYS A 139 70.650 -10.584 -1.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 139 71.425 -9.129 -2.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 139 70.318 -9.172 -1.010 1.00 0.00 H new ATOM 806 N ASP A 140 67.301 -2.721 -1.740 1.00 0.00 N ATOM 807 CA ASP A 140 67.715 -1.292 -1.822 1.00 0.00 C ATOM 808 C ASP A 140 67.483 -0.593 -0.479 1.00 0.00 C ATOM 809 O ASP A 140 68.148 0.368 -0.145 1.00 0.00 O ATOM 810 CB ASP A 140 66.818 -0.685 -2.902 1.00 0.00 C ATOM 811 CG ASP A 140 67.589 0.397 -3.660 1.00 0.00 C ATOM 812 OD1 ASP A 140 67.855 1.430 -3.069 1.00 0.00 O ATOM 813 OD2 ASP A 140 67.899 0.173 -4.819 1.00 0.00 O ATOM 0 H ASP A 140 66.418 -2.943 -2.199 1.00 0.00 H new ATOM 0 HA ASP A 140 68.774 -1.182 -2.057 1.00 0.00 H new ATOM 0 HB2 ASP A 140 66.487 -1.461 -3.592 1.00 0.00 H new ATOM 0 HB3 ASP A 140 65.923 -0.258 -2.449 1.00 0.00 H new ATOM 818 N SER A 141 66.538 -1.062 0.288 1.00 0.00 N ATOM 819 CA SER A 141 66.256 -0.419 1.604 1.00 0.00 C ATOM 820 C SER A 141 66.765 -1.290 2.757 1.00 0.00 C ATOM 821 O SER A 141 67.602 -0.877 3.535 1.00 0.00 O ATOM 822 CB SER A 141 64.734 -0.303 1.662 1.00 0.00 C ATOM 823 OG SER A 141 64.377 0.840 2.429 1.00 0.00 O ATOM 0 H SER A 141 65.948 -1.863 0.061 1.00 0.00 H new ATOM 0 HA SER A 141 66.753 0.547 1.700 1.00 0.00 H new ATOM 0 HB2 SER A 141 64.326 -0.221 0.655 1.00 0.00 H new ATOM 0 HB3 SER A 141 64.306 -1.201 2.107 1.00 0.00 H new ATOM 0 HG SER A 141 64.982 1.580 2.214 1.00 0.00 H new ATOM 829 N ASP A 142 66.256 -2.488 2.875 1.00 0.00 N ATOM 830 CA ASP A 142 66.694 -3.394 3.981 1.00 0.00 C ATOM 831 C ASP A 142 68.198 -3.252 4.237 1.00 0.00 C ATOM 832 O ASP A 142 69.009 -3.899 3.606 1.00 0.00 O ATOM 833 CB ASP A 142 66.366 -4.802 3.485 1.00 0.00 C ATOM 834 CG ASP A 142 66.078 -5.711 4.680 1.00 0.00 C ATOM 835 OD1 ASP A 142 66.035 -5.203 5.788 1.00 0.00 O ATOM 836 OD2 ASP A 142 65.906 -6.900 4.466 1.00 0.00 O ATOM 0 H ASP A 142 65.552 -2.881 2.250 1.00 0.00 H new ATOM 0 HA ASP A 142 66.197 -3.160 4.922 1.00 0.00 H new ATOM 0 HB2 ASP A 142 65.502 -4.773 2.821 1.00 0.00 H new ATOM 0 HB3 ASP A 142 67.200 -5.198 2.906 1.00 0.00 H new ATOM 841 N LYS A 143 68.575 -2.408 5.160 1.00 0.00 N ATOM 842 CA LYS A 143 70.027 -2.224 5.456 1.00 0.00 C ATOM 843 C LYS A 143 70.504 -3.257 6.483 1.00 0.00 C ATOM 844 O LYS A 143 71.589 -3.793 6.377 1.00 0.00 O ATOM 845 CB LYS A 143 70.139 -0.813 6.035 1.00 0.00 C ATOM 846 CG LYS A 143 70.990 0.056 5.107 1.00 0.00 C ATOM 847 CD LYS A 143 71.526 1.259 5.886 1.00 0.00 C ATOM 848 CE LYS A 143 71.551 2.487 4.973 1.00 0.00 C ATOM 849 NZ LYS A 143 71.278 3.641 5.873 1.00 0.00 N ATOM 0 H LYS A 143 67.942 -1.838 5.721 1.00 0.00 H new ATOM 0 HA LYS A 143 70.642 -2.355 4.566 1.00 0.00 H new ATOM 0 HB2 LYS A 143 69.147 -0.376 6.150 1.00 0.00 H new ATOM 0 HB3 LYS A 143 70.588 -0.851 7.028 1.00 0.00 H new ATOM 0 HG2 LYS A 143 71.817 -0.527 4.702 1.00 0.00 H new ATOM 0 HG3 LYS A 143 70.394 0.394 4.259 1.00 0.00 H new ATOM 0 HD2 LYS A 143 70.898 1.452 6.756 1.00 0.00 H new ATOM 0 HD3 LYS A 143 72.529 1.048 6.257 1.00 0.00 H new ATOM 0 HE2 LYS A 143 72.517 2.592 4.479 1.00 0.00 H new ATOM 0 HE3 LYS A 143 70.798 2.411 4.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 143 71.279 4.521 5.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 143 70.349 3.517 6.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 143 72.015 3.692 6.605 1.00 0.00 H new ATOM 863 N ASN A 144 69.710 -3.533 7.484 1.00 0.00 N ATOM 864 CA ASN A 144 70.133 -4.522 8.518 1.00 0.00 C ATOM 865 C ASN A 144 69.643 -5.928 8.157 1.00 0.00 C ATOM 866 O ASN A 144 69.600 -6.812 8.989 1.00 0.00 O ATOM 867 CB ASN A 144 69.476 -4.043 9.813 1.00 0.00 C ATOM 868 CG ASN A 144 69.745 -2.549 10.000 1.00 0.00 C ATOM 869 OD1 ASN A 144 70.748 -2.168 10.571 1.00 0.00 O ATOM 870 ND2 ASN A 144 68.887 -1.681 9.540 1.00 0.00 N ATOM 0 H ASN A 144 68.790 -3.118 7.630 1.00 0.00 H new ATOM 0 HA ASN A 144 71.218 -4.583 8.604 1.00 0.00 H new ATOM 0 HB2 ASN A 144 68.402 -4.228 9.779 1.00 0.00 H new ATOM 0 HB3 ASN A 144 69.869 -4.603 10.661 1.00 0.00 H new ATOM 0 HD21 ASN A 144 69.058 -0.683 9.659 1.00 0.00 H new ATOM 0 HD22 ASN A 144 68.045 -2.001 9.061 1.00 0.00 H new ATOM 877 N ASN A 145 69.280 -6.144 6.923 1.00 0.00 N ATOM 878 CA ASN A 145 68.799 -7.497 6.516 1.00 0.00 C ATOM 879 C ASN A 145 67.732 -7.997 7.493 1.00 0.00 C ATOM 880 O ASN A 145 67.529 -9.185 7.650 1.00 0.00 O ATOM 881 CB ASN A 145 70.040 -8.389 6.579 1.00 0.00 C ATOM 882 CG ASN A 145 71.140 -7.795 5.698 1.00 0.00 C ATOM 883 OD1 ASN A 145 70.877 -7.327 4.609 1.00 0.00 O ATOM 884 ND2 ASN A 145 72.373 -7.794 6.128 1.00 0.00 N ATOM 0 H ASN A 145 69.295 -5.445 6.180 1.00 0.00 H new ATOM 0 HA ASN A 145 68.345 -7.494 5.525 1.00 0.00 H new ATOM 0 HB2 ASN A 145 70.389 -8.473 7.608 1.00 0.00 H new ATOM 0 HB3 ASN A 145 69.794 -9.396 6.243 1.00 0.00 H new ATOM 0 HD21 ASN A 145 73.115 -7.400 5.549 1.00 0.00 H new ATOM 0 HD22 ASN A 145 72.594 -8.187 7.043 1.00 0.00 H new ATOM 891 N ASP A 146 67.046 -7.103 8.150 1.00 0.00 N ATOM 892 CA ASP A 146 65.993 -7.532 9.115 1.00 0.00 C ATOM 893 C ASP A 146 64.718 -7.930 8.364 1.00 0.00 C ATOM 894 O ASP A 146 63.715 -8.263 8.961 1.00 0.00 O ATOM 895 CB ASP A 146 65.738 -6.308 9.994 1.00 0.00 C ATOM 896 CG ASP A 146 65.016 -5.234 9.178 1.00 0.00 C ATOM 897 OD1 ASP A 146 65.439 -4.982 8.063 1.00 0.00 O ATOM 898 OD2 ASP A 146 64.053 -4.682 9.684 1.00 0.00 O ATOM 0 H ASP A 146 67.168 -6.094 8.061 1.00 0.00 H new ATOM 0 HA ASP A 146 66.299 -8.398 9.702 1.00 0.00 H new ATOM 0 HB2 ASP A 146 65.137 -6.588 10.859 1.00 0.00 H new ATOM 0 HB3 ASP A 146 66.682 -5.917 10.374 1.00 0.00 H new ATOM 903 N GLY A 147 64.751 -7.896 7.060 1.00 0.00 N ATOM 904 CA GLY A 147 63.543 -8.269 6.275 1.00 0.00 C ATOM 905 C GLY A 147 62.425 -7.260 6.547 1.00 0.00 C ATOM 906 O GLY A 147 61.256 -7.590 6.512 1.00 0.00 O ATOM 0 H GLY A 147 65.563 -7.626 6.505 1.00 0.00 H new ATOM 0 HA2 GLY A 147 63.779 -8.288 5.211 1.00 0.00 H new ATOM 0 HA3 GLY A 147 63.215 -9.273 6.547 1.00 0.00 H new ATOM 910 N ARG A 148 62.775 -6.032 6.818 1.00 0.00 N ATOM 911 CA ARG A 148 61.732 -5.003 7.094 1.00 0.00 C ATOM 912 C ARG A 148 62.295 -3.600 6.847 1.00 0.00 C ATOM 913 O ARG A 148 63.350 -3.248 7.336 1.00 0.00 O ATOM 914 CB ARG A 148 61.373 -5.188 8.569 1.00 0.00 C ATOM 915 CG ARG A 148 59.917 -5.647 8.685 1.00 0.00 C ATOM 916 CD ARG A 148 59.572 -5.888 10.157 1.00 0.00 C ATOM 917 NE ARG A 148 59.315 -7.351 10.256 1.00 0.00 N ATOM 918 CZ ARG A 148 60.275 -8.161 10.613 1.00 0.00 C ATOM 919 NH1 ARG A 148 61.232 -8.446 9.774 1.00 0.00 N ATOM 920 NH2 ARG A 148 60.276 -8.686 11.807 1.00 0.00 N ATOM 0 H ARG A 148 63.737 -5.697 6.860 1.00 0.00 H new ATOM 0 HA ARG A 148 60.861 -5.113 6.447 1.00 0.00 H new ATOM 0 HB2 ARG A 148 62.035 -5.923 9.026 1.00 0.00 H new ATOM 0 HB3 ARG A 148 61.515 -4.252 9.109 1.00 0.00 H new ATOM 0 HG2 ARG A 148 59.252 -4.893 8.264 1.00 0.00 H new ATOM 0 HG3 ARG A 148 59.766 -6.561 8.111 1.00 0.00 H new ATOM 0 HD2 ARG A 148 60.391 -5.586 10.809 1.00 0.00 H new ATOM 0 HD3 ARG A 148 58.697 -5.312 10.457 1.00 0.00 H new ATOM 0 HE ARG A 148 58.388 -7.721 10.045 1.00 0.00 H new ATOM 0 HH11 ARG A 148 61.230 -8.036 8.840 1.00 0.00 H new ATOM 0 HH12 ARG A 148 61.982 -9.079 10.052 1.00 0.00 H new ATOM 0 HH21 ARG A 148 59.527 -8.464 12.462 1.00 0.00 H new ATOM 0 HH22 ARG A 148 61.026 -9.319 12.085 1.00 0.00 H new ATOM 934 N ILE A 149 61.597 -2.796 6.091 1.00 0.00 N ATOM 935 CA ILE A 149 62.089 -1.417 5.811 1.00 0.00 C ATOM 936 C ILE A 149 61.700 -0.480 6.962 1.00 0.00 C ATOM 937 O ILE A 149 60.558 -0.425 7.372 1.00 0.00 O ATOM 938 CB ILE A 149 61.393 -1.016 4.497 1.00 0.00 C ATOM 939 CG1 ILE A 149 62.292 -1.390 3.316 1.00 0.00 C ATOM 940 CG2 ILE A 149 61.131 0.493 4.464 1.00 0.00 C ATOM 941 CD1 ILE A 149 61.434 -1.907 2.159 1.00 0.00 C ATOM 0 H ILE A 149 60.706 -3.035 5.655 1.00 0.00 H new ATOM 0 HA ILE A 149 63.174 -1.360 5.722 1.00 0.00 H new ATOM 0 HB ILE A 149 60.441 -1.543 4.431 1.00 0.00 H new ATOM 0 HG12 ILE A 149 62.867 -0.522 2.995 1.00 0.00 H new ATOM 0 HG13 ILE A 149 63.009 -2.153 3.619 1.00 0.00 H new ATOM 0 HG21 ILE A 149 60.639 0.756 3.528 1.00 0.00 H new ATOM 0 HG22 ILE A 149 60.490 0.769 5.301 1.00 0.00 H new ATOM 0 HG23 ILE A 149 62.077 1.028 4.539 1.00 0.00 H new ATOM 0 HD11 ILE A 149 62.077 -2.172 1.320 1.00 0.00 H new ATOM 0 HD12 ILE A 149 60.878 -2.787 2.483 1.00 0.00 H new ATOM 0 HD13 ILE A 149 60.735 -1.130 1.849 1.00 0.00 H new ATOM 953 N ASP A 150 62.644 0.258 7.484 1.00 0.00 N ATOM 954 CA ASP A 150 62.327 1.191 8.603 1.00 0.00 C ATOM 955 C ASP A 150 62.181 2.620 8.069 1.00 0.00 C ATOM 956 O ASP A 150 62.031 2.833 6.883 1.00 0.00 O ATOM 957 CB ASP A 150 63.514 1.078 9.570 1.00 0.00 C ATOM 958 CG ASP A 150 64.676 1.950 9.086 1.00 0.00 C ATOM 959 OD1 ASP A 150 65.300 1.579 8.108 1.00 0.00 O ATOM 960 OD2 ASP A 150 64.920 2.974 9.704 1.00 0.00 O ATOM 0 H ASP A 150 63.619 0.255 7.184 1.00 0.00 H new ATOM 0 HA ASP A 150 61.387 0.945 9.098 1.00 0.00 H new ATOM 0 HB2 ASP A 150 63.209 1.388 10.569 1.00 0.00 H new ATOM 0 HB3 ASP A 150 63.835 0.039 9.643 1.00 0.00 H new ATOM 965 N PHE A 151 62.223 3.597 8.930 1.00 0.00 N ATOM 966 CA PHE A 151 62.082 5.007 8.463 1.00 0.00 C ATOM 967 C PHE A 151 63.315 5.429 7.659 1.00 0.00 C ATOM 968 O PHE A 151 63.207 5.940 6.561 1.00 0.00 O ATOM 969 CB PHE A 151 61.967 5.837 9.742 1.00 0.00 C ATOM 970 CG PHE A 151 60.791 5.351 10.553 1.00 0.00 C ATOM 971 CD1 PHE A 151 59.486 5.610 10.117 1.00 0.00 C ATOM 972 CD2 PHE A 151 61.005 4.641 11.741 1.00 0.00 C ATOM 973 CE1 PHE A 151 58.395 5.159 10.869 1.00 0.00 C ATOM 974 CE2 PHE A 151 59.914 4.191 12.493 1.00 0.00 C ATOM 975 CZ PHE A 151 58.609 4.449 12.057 1.00 0.00 C ATOM 0 H PHE A 151 62.349 3.482 9.936 1.00 0.00 H new ATOM 0 HA PHE A 151 61.220 5.139 7.810 1.00 0.00 H new ATOM 0 HB2 PHE A 151 62.884 5.754 10.326 1.00 0.00 H new ATOM 0 HB3 PHE A 151 61.841 6.891 9.494 1.00 0.00 H new ATOM 0 HD1 PHE A 151 59.321 6.158 9.201 1.00 0.00 H new ATOM 0 HD2 PHE A 151 62.012 4.441 12.077 1.00 0.00 H new ATOM 0 HE1 PHE A 151 57.388 5.359 10.533 1.00 0.00 H new ATOM 0 HE2 PHE A 151 60.079 3.645 13.410 1.00 0.00 H new ATOM 0 HZ PHE A 151 57.767 4.100 12.637 1.00 0.00 H new ATOM 985 N ASP A 152 64.484 5.227 8.199 1.00 0.00 N ATOM 986 CA ASP A 152 65.722 5.623 7.468 1.00 0.00 C ATOM 987 C ASP A 152 65.869 4.812 6.176 1.00 0.00 C ATOM 988 O ASP A 152 66.091 5.360 5.113 1.00 0.00 O ATOM 989 CB ASP A 152 66.866 5.303 8.432 1.00 0.00 C ATOM 990 CG ASP A 152 67.623 6.588 8.772 1.00 0.00 C ATOM 991 OD1 ASP A 152 67.050 7.653 8.607 1.00 0.00 O ATOM 992 OD2 ASP A 152 68.763 6.485 9.194 1.00 0.00 O ATOM 0 H ASP A 152 64.637 4.805 9.115 1.00 0.00 H new ATOM 0 HA ASP A 152 65.708 6.674 7.178 1.00 0.00 H new ATOM 0 HB2 ASP A 152 66.473 4.849 9.341 1.00 0.00 H new ATOM 0 HB3 ASP A 152 67.543 4.578 7.981 1.00 0.00 H new ATOM 997 N GLU A 153 65.755 3.514 6.255 1.00 0.00 N ATOM 998 CA GLU A 153 65.901 2.679 5.025 1.00 0.00 C ATOM 999 C GLU A 153 64.894 3.117 3.955 1.00 0.00 C ATOM 1000 O GLU A 153 65.232 3.252 2.797 1.00 0.00 O ATOM 1001 CB GLU A 153 65.626 1.244 5.478 1.00 0.00 C ATOM 1002 CG GLU A 153 66.837 0.722 6.252 1.00 0.00 C ATOM 1003 CD GLU A 153 66.427 -0.494 7.087 1.00 0.00 C ATOM 1004 OE1 GLU A 153 65.320 -0.970 6.901 1.00 0.00 O ATOM 1005 OE2 GLU A 153 67.230 -0.927 7.898 1.00 0.00 O ATOM 0 H GLU A 153 65.568 2.996 7.113 1.00 0.00 H new ATOM 0 HA GLU A 153 66.890 2.778 4.578 1.00 0.00 H new ATOM 0 HB2 GLU A 153 64.736 1.212 6.107 1.00 0.00 H new ATOM 0 HB3 GLU A 153 65.429 0.608 4.615 1.00 0.00 H new ATOM 0 HG2 GLU A 153 67.634 0.449 5.560 1.00 0.00 H new ATOM 0 HG3 GLU A 153 67.232 1.504 6.900 1.00 0.00 H new ATOM 1012 N PHE A 154 63.662 3.341 4.326 1.00 0.00 N ATOM 1013 CA PHE A 154 62.652 3.769 3.313 1.00 0.00 C ATOM 1014 C PHE A 154 63.166 4.988 2.545 1.00 0.00 C ATOM 1015 O PHE A 154 63.427 4.921 1.360 1.00 0.00 O ATOM 1016 CB PHE A 154 61.400 4.128 4.113 1.00 0.00 C ATOM 1017 CG PHE A 154 60.174 3.750 3.318 1.00 0.00 C ATOM 1018 CD1 PHE A 154 60.125 4.007 1.943 1.00 0.00 C ATOM 1019 CD2 PHE A 154 59.088 3.138 3.955 1.00 0.00 C ATOM 1020 CE1 PHE A 154 58.990 3.653 1.205 1.00 0.00 C ATOM 1021 CE2 PHE A 154 57.952 2.785 3.216 1.00 0.00 C ATOM 1022 CZ PHE A 154 57.903 3.041 1.842 1.00 0.00 C ATOM 0 H PHE A 154 63.312 3.247 5.279 1.00 0.00 H new ATOM 0 HA PHE A 154 62.449 2.988 2.580 1.00 0.00 H new ATOM 0 HB2 PHE A 154 61.403 3.605 5.069 1.00 0.00 H new ATOM 0 HB3 PHE A 154 61.389 5.195 4.334 1.00 0.00 H new ATOM 0 HD1 PHE A 154 60.963 4.479 1.452 1.00 0.00 H new ATOM 0 HD2 PHE A 154 59.126 2.938 5.016 1.00 0.00 H new ATOM 0 HE1 PHE A 154 58.952 3.852 0.144 1.00 0.00 H new ATOM 0 HE2 PHE A 154 57.113 2.315 3.708 1.00 0.00 H new ATOM 0 HZ PHE A 154 57.027 2.767 1.272 1.00 0.00 H new ATOM 1032 N LEU A 155 63.318 6.103 3.209 1.00 0.00 N ATOM 1033 CA LEU A 155 63.821 7.319 2.510 1.00 0.00 C ATOM 1034 C LEU A 155 64.995 6.942 1.603 1.00 0.00 C ATOM 1035 O LEU A 155 65.198 7.523 0.555 1.00 0.00 O ATOM 1036 CB LEU A 155 64.281 8.260 3.624 1.00 0.00 C ATOM 1037 CG LEU A 155 63.072 8.703 4.449 1.00 0.00 C ATOM 1038 CD1 LEU A 155 63.535 9.135 5.841 1.00 0.00 C ATOM 1039 CD2 LEU A 155 62.384 9.880 3.751 1.00 0.00 C ATOM 0 H LEU A 155 63.116 6.223 4.202 1.00 0.00 H new ATOM 0 HA LEU A 155 63.062 7.784 1.881 1.00 0.00 H new ATOM 0 HB2 LEU A 155 65.006 7.757 4.263 1.00 0.00 H new ATOM 0 HB3 LEU A 155 64.781 9.129 3.197 1.00 0.00 H new ATOM 0 HG LEU A 155 62.370 7.874 4.542 1.00 0.00 H new ATOM 0 HD11 LEU A 155 62.673 9.451 6.429 1.00 0.00 H new ATOM 0 HD12 LEU A 155 64.026 8.298 6.337 1.00 0.00 H new ATOM 0 HD13 LEU A 155 64.236 9.965 5.750 1.00 0.00 H new ATOM 0 HD21 LEU A 155 61.522 10.197 4.338 1.00 0.00 H new ATOM 0 HD22 LEU A 155 63.086 10.709 3.659 1.00 0.00 H new ATOM 0 HD23 LEU A 155 62.054 9.572 2.759 1.00 0.00 H new ATOM 1051 N LYS A 156 65.765 5.967 2.000 1.00 0.00 N ATOM 1052 CA LYS A 156 66.923 5.541 1.165 1.00 0.00 C ATOM 1053 C LYS A 156 66.433 4.702 -0.017 1.00 0.00 C ATOM 1054 O LYS A 156 67.038 4.679 -1.071 1.00 0.00 O ATOM 1055 CB LYS A 156 67.793 4.699 2.097 1.00 0.00 C ATOM 1056 CG LYS A 156 69.166 5.357 2.241 1.00 0.00 C ATOM 1057 CD LYS A 156 70.052 4.947 1.063 1.00 0.00 C ATOM 1058 CE LYS A 156 71.277 4.190 1.582 1.00 0.00 C ATOM 1059 NZ LYS A 156 72.371 5.201 1.617 1.00 0.00 N ATOM 0 H LYS A 156 65.642 5.446 2.868 1.00 0.00 H new ATOM 0 HA LYS A 156 67.472 6.387 0.751 1.00 0.00 H new ATOM 0 HB2 LYS A 156 67.317 4.608 3.073 1.00 0.00 H new ATOM 0 HB3 LYS A 156 67.901 3.690 1.699 1.00 0.00 H new ATOM 0 HG2 LYS A 156 69.060 6.441 2.271 1.00 0.00 H new ATOM 0 HG3 LYS A 156 69.629 5.056 3.181 1.00 0.00 H new ATOM 0 HD2 LYS A 156 69.489 4.319 0.373 1.00 0.00 H new ATOM 0 HD3 LYS A 156 70.366 5.830 0.506 1.00 0.00 H new ATOM 0 HE2 LYS A 156 71.093 3.774 2.572 1.00 0.00 H new ATOM 0 HE3 LYS A 156 71.532 3.356 0.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 156 73.245 4.755 1.963 1.00 0.00 H new ATOM 0 HZ2 LYS A 156 72.529 5.575 0.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 156 72.104 5.979 2.253 1.00 0.00 H new ATOM 1073 N MET A 157 65.336 4.014 0.150 1.00 0.00 N ATOM 1074 CA MET A 157 64.800 3.180 -0.960 1.00 0.00 C ATOM 1075 C MET A 157 64.452 4.081 -2.150 1.00 0.00 C ATOM 1076 O MET A 157 64.651 3.729 -3.296 1.00 0.00 O ATOM 1077 CB MET A 157 63.563 2.494 -0.348 1.00 0.00 C ATOM 1078 CG MET A 157 62.263 2.977 -1.003 1.00 0.00 C ATOM 1079 SD MET A 157 62.048 2.150 -2.598 1.00 0.00 S ATOM 1080 CE MET A 157 61.765 0.484 -1.950 1.00 0.00 C ATOM 0 H MET A 157 64.788 3.995 1.010 1.00 0.00 H new ATOM 0 HA MET A 157 65.503 2.441 -1.345 1.00 0.00 H new ATOM 0 HB2 MET A 157 63.650 1.414 -0.466 1.00 0.00 H new ATOM 0 HB3 MET A 157 63.528 2.696 0.723 1.00 0.00 H new ATOM 0 HG2 MET A 157 61.414 2.763 -0.353 1.00 0.00 H new ATOM 0 HG3 MET A 157 62.293 4.058 -1.143 1.00 0.00 H new ATOM 0 HE1 MET A 157 62.531 -0.190 -2.333 1.00 0.00 H new ATOM 0 HE2 MET A 157 61.811 0.504 -0.861 1.00 0.00 H new ATOM 0 HE3 MET A 157 60.782 0.133 -2.265 1.00 0.00 H new ATOM 1090 N MET A 158 63.940 5.247 -1.875 1.00 0.00 N ATOM 1091 CA MET A 158 63.581 6.189 -2.973 1.00 0.00 C ATOM 1092 C MET A 158 64.559 7.366 -2.986 1.00 0.00 C ATOM 1093 O MET A 158 64.170 8.509 -3.124 1.00 0.00 O ATOM 1094 CB MET A 158 62.168 6.669 -2.637 1.00 0.00 C ATOM 1095 CG MET A 158 61.224 6.326 -3.790 1.00 0.00 C ATOM 1096 SD MET A 158 60.032 5.079 -3.241 1.00 0.00 S ATOM 1097 CE MET A 158 59.889 4.194 -4.814 1.00 0.00 C ATOM 0 H MET A 158 63.753 5.591 -0.933 1.00 0.00 H new ATOM 0 HA MET A 158 63.626 5.721 -3.956 1.00 0.00 H new ATOM 0 HB2 MET A 158 61.822 6.198 -1.717 1.00 0.00 H new ATOM 0 HB3 MET A 158 62.170 7.745 -2.463 1.00 0.00 H new ATOM 0 HG2 MET A 158 60.701 7.222 -4.125 1.00 0.00 H new ATOM 0 HG3 MET A 158 61.793 5.951 -4.641 1.00 0.00 H new ATOM 0 HE1 MET A 158 59.189 3.366 -4.703 1.00 0.00 H new ATOM 0 HE2 MET A 158 59.526 4.876 -5.583 1.00 0.00 H new ATOM 0 HE3 MET A 158 60.866 3.807 -5.104 1.00 0.00 H new