USER MOD reduce.3.24.130724 H: found=0, std=0, add=479, rem=0, adj=5 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= -0.0807 X(o=-0.081,f=0.083) USER MOD Single : A 101 CYS SG : rot 180:sc= 0 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 125 THR OG1 : rot -99:sc= 0.762 USER MOD Single : A 128 HIS : no HD1:sc= -8.26! C(o=-8.3!,f=-9.2!) USER MOD Single : A 138 MET CE :methyl 158:sc= -3.05! (180deg=-3.62) USER MOD Single : A 139 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 141 SER OG : rot 145:sc= -2.39! USER MOD Single : A 143 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 144 ASN : amide:sc= -2.21! C(o=-2.2!,f=-2.5!) USER MOD Single : A 145 ASN : amide:sc= -0.0502 X(o=-0.05,f=-0.27) USER MOD Single : A 156 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 157 MET CE :methyl 176:sc= -1.2 (180deg=-1.2) USER MOD Single : A 158 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 115 N GLU A 96 58.169 14.918 4.767 1.00 0.00 N ATOM 116 CA GLU A 96 56.708 14.928 5.083 1.00 0.00 C ATOM 117 C GLU A 96 55.938 14.016 4.125 1.00 0.00 C ATOM 118 O GLU A 96 55.357 13.027 4.528 1.00 0.00 O ATOM 119 CB GLU A 96 56.274 16.383 4.901 1.00 0.00 C ATOM 120 CG GLU A 96 55.257 16.750 5.983 1.00 0.00 C ATOM 121 CD GLU A 96 55.589 18.133 6.547 1.00 0.00 C ATOM 122 OE1 GLU A 96 55.645 19.070 5.769 1.00 0.00 O ATOM 123 OE2 GLU A 96 55.781 18.231 7.749 1.00 0.00 O ATOM 0 HA GLU A 96 56.508 14.561 6.090 1.00 0.00 H new ATOM 0 HB2 GLU A 96 57.140 17.042 4.962 1.00 0.00 H new ATOM 0 HB3 GLU A 96 55.836 16.522 3.913 1.00 0.00 H new ATOM 0 HG2 GLU A 96 54.250 16.748 5.566 1.00 0.00 H new ATOM 0 HG3 GLU A 96 55.274 16.007 6.780 1.00 0.00 H new ATOM 130 N GLU A 97 55.925 14.339 2.862 1.00 0.00 N ATOM 131 CA GLU A 97 55.189 13.489 1.883 1.00 0.00 C ATOM 132 C GLU A 97 55.619 12.026 2.020 1.00 0.00 C ATOM 133 O GLU A 97 54.808 11.146 2.228 1.00 0.00 O ATOM 134 CB GLU A 97 55.581 14.034 0.510 1.00 0.00 C ATOM 135 CG GLU A 97 54.765 13.325 -0.571 1.00 0.00 C ATOM 136 CD GLU A 97 53.668 14.263 -1.081 1.00 0.00 C ATOM 137 OE1 GLU A 97 52.837 14.659 -0.282 1.00 0.00 O ATOM 138 OE2 GLU A 97 53.680 14.568 -2.263 1.00 0.00 O ATOM 0 H GLU A 97 56.392 15.154 2.465 1.00 0.00 H new ATOM 0 HA GLU A 97 54.111 13.519 2.042 1.00 0.00 H new ATOM 0 HB2 GLU A 97 55.403 15.109 0.469 1.00 0.00 H new ATOM 0 HB3 GLU A 97 56.646 13.880 0.336 1.00 0.00 H new ATOM 0 HG2 GLU A 97 55.414 13.026 -1.394 1.00 0.00 H new ATOM 0 HG3 GLU A 97 54.321 12.415 -0.168 1.00 0.00 H new ATOM 145 N LEU A 98 56.891 11.762 1.903 1.00 0.00 N ATOM 146 CA LEU A 98 57.375 10.357 2.025 1.00 0.00 C ATOM 147 C LEU A 98 56.989 9.778 3.388 1.00 0.00 C ATOM 148 O LEU A 98 56.386 8.726 3.478 1.00 0.00 O ATOM 149 CB LEU A 98 58.895 10.453 1.891 1.00 0.00 C ATOM 150 CG LEU A 98 59.252 10.959 0.492 1.00 0.00 C ATOM 151 CD1 LEU A 98 60.389 11.979 0.591 1.00 0.00 C ATOM 152 CD2 LEU A 98 59.702 9.779 -0.374 1.00 0.00 C ATOM 0 H LEU A 98 57.616 12.458 1.728 1.00 0.00 H new ATOM 0 HA LEU A 98 56.939 9.702 1.271 1.00 0.00 H new ATOM 0 HB2 LEU A 98 59.296 11.128 2.647 1.00 0.00 H new ATOM 0 HB3 LEU A 98 59.348 9.477 2.063 1.00 0.00 H new ATOM 0 HG LEU A 98 58.379 11.432 0.042 1.00 0.00 H new ATOM 0 HD11 LEU A 98 60.643 12.339 -0.406 1.00 0.00 H new ATOM 0 HD12 LEU A 98 60.072 12.818 1.210 1.00 0.00 H new ATOM 0 HD13 LEU A 98 61.263 11.507 1.040 1.00 0.00 H new ATOM 0 HD21 LEU A 98 59.957 10.136 -1.372 1.00 0.00 H new ATOM 0 HD22 LEU A 98 60.576 9.309 0.077 1.00 0.00 H new ATOM 0 HD23 LEU A 98 58.894 9.051 -0.445 1.00 0.00 H new ATOM 164 N ALA A 99 57.332 10.454 4.449 1.00 0.00 N ATOM 165 CA ALA A 99 56.986 9.942 5.807 1.00 0.00 C ATOM 166 C ALA A 99 55.506 9.547 5.867 1.00 0.00 C ATOM 167 O ALA A 99 55.163 8.454 6.267 1.00 0.00 O ATOM 168 CB ALA A 99 57.267 11.109 6.754 1.00 0.00 C ATOM 0 H ALA A 99 57.837 11.340 4.436 1.00 0.00 H new ATOM 0 HA ALA A 99 57.561 9.054 6.070 1.00 0.00 H new ATOM 0 HB1 ALA A 99 57.036 10.811 7.777 1.00 0.00 H new ATOM 0 HB2 ALA A 99 58.318 11.388 6.686 1.00 0.00 H new ATOM 0 HB3 ALA A 99 56.647 11.961 6.476 1.00 0.00 H new ATOM 174 N ASN A 100 54.629 10.429 5.472 1.00 0.00 N ATOM 175 CA ASN A 100 53.172 10.103 5.508 1.00 0.00 C ATOM 176 C ASN A 100 52.908 8.771 4.801 1.00 0.00 C ATOM 177 O ASN A 100 52.256 7.893 5.330 1.00 0.00 O ATOM 178 CB ASN A 100 52.493 11.250 4.757 1.00 0.00 C ATOM 179 CG ASN A 100 52.236 12.412 5.718 1.00 0.00 C ATOM 180 OD1 ASN A 100 52.682 13.517 5.485 1.00 0.00 O ATOM 181 ND2 ASN A 100 51.527 12.208 6.794 1.00 0.00 N ATOM 0 H ASN A 100 54.857 11.361 5.126 1.00 0.00 H new ATOM 0 HA ASN A 100 52.797 10.001 6.526 1.00 0.00 H new ATOM 0 HB2 ASN A 100 53.123 11.580 3.931 1.00 0.00 H new ATOM 0 HB3 ASN A 100 51.553 10.908 4.324 1.00 0.00 H new ATOM 0 HD21 ASN A 100 51.347 12.977 7.440 1.00 0.00 H new ATOM 0 HD22 ASN A 100 51.152 11.280 6.990 1.00 0.00 H new ATOM 188 N CYS A 101 53.406 8.617 3.605 1.00 0.00 N ATOM 189 CA CYS A 101 53.182 7.346 2.857 1.00 0.00 C ATOM 190 C CYS A 101 53.601 6.139 3.702 1.00 0.00 C ATOM 191 O CYS A 101 52.929 5.127 3.731 1.00 0.00 O ATOM 192 CB CYS A 101 54.064 7.463 1.614 1.00 0.00 C ATOM 193 SG CYS A 101 53.163 8.338 0.311 1.00 0.00 S ATOM 0 H CYS A 101 53.960 9.318 3.112 1.00 0.00 H new ATOM 0 HA CYS A 101 52.132 7.198 2.605 1.00 0.00 H new ATOM 0 HB2 CYS A 101 54.983 7.997 1.857 1.00 0.00 H new ATOM 0 HB3 CYS A 101 54.354 6.471 1.267 1.00 0.00 H new ATOM 0 HG CYS A 101 53.915 8.439 -0.744 1.00 0.00 H new ATOM 199 N PHE A 102 54.710 6.233 4.384 1.00 0.00 N ATOM 200 CA PHE A 102 55.173 5.086 5.219 1.00 0.00 C ATOM 201 C PHE A 102 53.997 4.461 5.976 1.00 0.00 C ATOM 202 O PHE A 102 53.636 3.323 5.752 1.00 0.00 O ATOM 203 CB PHE A 102 56.182 5.687 6.199 1.00 0.00 C ATOM 204 CG PHE A 102 56.642 4.619 7.164 1.00 0.00 C ATOM 205 CD1 PHE A 102 57.544 3.635 6.743 1.00 0.00 C ATOM 206 CD2 PHE A 102 56.163 4.613 8.480 1.00 0.00 C ATOM 207 CE1 PHE A 102 57.968 2.645 7.639 1.00 0.00 C ATOM 208 CE2 PHE A 102 56.587 3.623 9.375 1.00 0.00 C ATOM 209 CZ PHE A 102 57.489 2.639 8.954 1.00 0.00 C ATOM 0 H PHE A 102 55.316 7.054 4.400 1.00 0.00 H new ATOM 0 HA PHE A 102 55.613 4.293 4.614 1.00 0.00 H new ATOM 0 HB2 PHE A 102 57.035 6.094 5.656 1.00 0.00 H new ATOM 0 HB3 PHE A 102 55.728 6.514 6.744 1.00 0.00 H new ATOM 0 HD1 PHE A 102 57.913 3.639 5.728 1.00 0.00 H new ATOM 0 HD2 PHE A 102 55.467 5.372 8.805 1.00 0.00 H new ATOM 0 HE1 PHE A 102 58.665 1.886 7.315 1.00 0.00 H new ATOM 0 HE2 PHE A 102 56.218 3.619 10.390 1.00 0.00 H new ATOM 0 HZ PHE A 102 57.815 1.875 9.644 1.00 0.00 H new ATOM 219 N ARG A 103 53.403 5.193 6.877 1.00 0.00 N ATOM 220 CA ARG A 103 52.256 4.636 7.654 1.00 0.00 C ATOM 221 C ARG A 103 51.159 4.135 6.709 1.00 0.00 C ATOM 222 O ARG A 103 50.546 3.113 6.942 1.00 0.00 O ATOM 223 CB ARG A 103 51.743 5.805 8.496 1.00 0.00 C ATOM 224 CG ARG A 103 51.512 5.334 9.933 1.00 0.00 C ATOM 225 CD ARG A 103 50.212 5.943 10.467 1.00 0.00 C ATOM 226 NE ARG A 103 50.380 7.412 10.304 1.00 0.00 N ATOM 227 CZ ARG A 103 50.152 8.210 11.311 1.00 0.00 C ATOM 228 NH1 ARG A 103 49.230 7.911 12.185 1.00 0.00 N ATOM 229 NH2 ARG A 103 50.848 9.306 11.447 1.00 0.00 N ATOM 0 H ARG A 103 53.660 6.152 7.110 1.00 0.00 H new ATOM 0 HA ARG A 103 52.553 3.786 8.269 1.00 0.00 H new ATOM 0 HB2 ARG A 103 52.464 6.622 8.481 1.00 0.00 H new ATOM 0 HB3 ARG A 103 50.815 6.191 8.075 1.00 0.00 H new ATOM 0 HG2 ARG A 103 51.457 4.246 9.966 1.00 0.00 H new ATOM 0 HG3 ARG A 103 52.351 5.630 10.563 1.00 0.00 H new ATOM 0 HD2 ARG A 103 49.348 5.580 9.910 1.00 0.00 H new ATOM 0 HD3 ARG A 103 50.052 5.678 11.512 1.00 0.00 H new ATOM 0 HE ARG A 103 50.673 7.795 9.405 1.00 0.00 H new ATOM 0 HH11 ARG A 103 48.688 7.053 12.081 1.00 0.00 H new ATOM 0 HH12 ARG A 103 49.052 8.535 12.972 1.00 0.00 H new ATOM 0 HH21 ARG A 103 51.571 9.539 10.766 1.00 0.00 H new ATOM 0 HH22 ARG A 103 50.669 9.929 12.234 1.00 0.00 H new ATOM 243 N ILE A 104 50.903 4.849 5.647 1.00 0.00 N ATOM 244 CA ILE A 104 49.842 4.416 4.694 1.00 0.00 C ATOM 245 C ILE A 104 50.178 3.043 4.101 1.00 0.00 C ATOM 246 O ILE A 104 49.303 2.254 3.806 1.00 0.00 O ATOM 247 CB ILE A 104 49.832 5.485 3.602 1.00 0.00 C ATOM 248 CG1 ILE A 104 49.407 6.825 4.205 1.00 0.00 C ATOM 249 CG2 ILE A 104 48.847 5.084 2.505 1.00 0.00 C ATOM 250 CD1 ILE A 104 47.958 6.734 4.689 1.00 0.00 C ATOM 0 H ILE A 104 51.383 5.714 5.398 1.00 0.00 H new ATOM 0 HA ILE A 104 48.871 4.317 5.179 1.00 0.00 H new ATOM 0 HB ILE A 104 50.831 5.579 3.176 1.00 0.00 H new ATOM 0 HG12 ILE A 104 50.063 7.086 5.036 1.00 0.00 H new ATOM 0 HG13 ILE A 104 49.504 7.617 3.462 1.00 0.00 H new ATOM 0 HG21 ILE A 104 48.840 5.846 1.726 1.00 0.00 H new ATOM 0 HG22 ILE A 104 49.150 4.129 2.075 1.00 0.00 H new ATOM 0 HG23 ILE A 104 47.848 4.990 2.930 1.00 0.00 H new ATOM 0 HD11 ILE A 104 47.657 7.690 5.118 1.00 0.00 H new ATOM 0 HD12 ILE A 104 47.308 6.493 3.848 1.00 0.00 H new ATOM 0 HD13 ILE A 104 47.876 5.954 5.446 1.00 0.00 H new ATOM 262 N PHE A 105 51.437 2.752 3.920 1.00 0.00 N ATOM 263 CA PHE A 105 51.820 1.431 3.342 1.00 0.00 C ATOM 264 C PHE A 105 51.659 0.323 4.388 1.00 0.00 C ATOM 265 O PHE A 105 51.068 -0.706 4.127 1.00 0.00 O ATOM 266 CB PHE A 105 53.287 1.581 2.940 1.00 0.00 C ATOM 267 CG PHE A 105 53.375 2.309 1.619 1.00 0.00 C ATOM 268 CD1 PHE A 105 52.663 1.834 0.510 1.00 0.00 C ATOM 269 CD2 PHE A 105 54.167 3.457 1.503 1.00 0.00 C ATOM 270 CE1 PHE A 105 52.744 2.508 -0.713 1.00 0.00 C ATOM 271 CE2 PHE A 105 54.246 4.130 0.279 1.00 0.00 C ATOM 272 CZ PHE A 105 53.535 3.656 -0.829 1.00 0.00 C ATOM 0 H PHE A 105 52.216 3.370 4.147 1.00 0.00 H new ATOM 0 HA PHE A 105 51.192 1.157 2.494 1.00 0.00 H new ATOM 0 HB2 PHE A 105 53.831 2.131 3.708 1.00 0.00 H new ATOM 0 HB3 PHE A 105 53.755 0.600 2.859 1.00 0.00 H new ATOM 0 HD1 PHE A 105 52.052 0.948 0.599 1.00 0.00 H new ATOM 0 HD2 PHE A 105 54.717 3.823 2.358 1.00 0.00 H new ATOM 0 HE1 PHE A 105 52.196 2.142 -1.568 1.00 0.00 H new ATOM 0 HE2 PHE A 105 54.856 5.016 0.189 1.00 0.00 H new ATOM 0 HZ PHE A 105 53.597 4.176 -1.773 1.00 0.00 H new ATOM 282 N ASP A 106 52.180 0.523 5.568 1.00 0.00 N ATOM 283 CA ASP A 106 52.053 -0.525 6.622 1.00 0.00 C ATOM 284 C ASP A 106 50.580 -0.730 6.988 1.00 0.00 C ATOM 285 O ASP A 106 49.998 0.044 7.721 1.00 0.00 O ATOM 286 CB ASP A 106 52.832 0.019 7.820 1.00 0.00 C ATOM 287 CG ASP A 106 52.873 -1.038 8.925 1.00 0.00 C ATOM 288 OD1 ASP A 106 52.485 -2.163 8.656 1.00 0.00 O ATOM 289 OD2 ASP A 106 53.289 -0.704 10.022 1.00 0.00 O ATOM 0 H ASP A 106 52.686 1.363 5.848 1.00 0.00 H new ATOM 0 HA ASP A 106 52.436 -1.491 6.292 1.00 0.00 H new ATOM 0 HB2 ASP A 106 53.845 0.284 7.518 1.00 0.00 H new ATOM 0 HB3 ASP A 106 52.361 0.930 8.190 1.00 0.00 H new ATOM 294 N LYS A 107 49.974 -1.770 6.483 1.00 0.00 N ATOM 295 CA LYS A 107 48.539 -2.024 6.802 1.00 0.00 C ATOM 296 C LYS A 107 48.403 -2.575 8.224 1.00 0.00 C ATOM 297 O LYS A 107 47.565 -2.144 8.989 1.00 0.00 O ATOM 298 CB LYS A 107 48.087 -3.067 5.778 1.00 0.00 C ATOM 299 CG LYS A 107 48.367 -2.551 4.366 1.00 0.00 C ATOM 300 CD LYS A 107 47.412 -3.224 3.379 1.00 0.00 C ATOM 301 CE LYS A 107 47.163 -2.292 2.192 1.00 0.00 C ATOM 302 NZ LYS A 107 45.694 -2.359 1.953 1.00 0.00 N ATOM 0 H LYS A 107 50.409 -2.454 5.864 1.00 0.00 H new ATOM 0 HA LYS A 107 47.937 -1.116 6.754 1.00 0.00 H new ATOM 0 HB2 LYS A 107 48.613 -4.007 5.944 1.00 0.00 H new ATOM 0 HB3 LYS A 107 47.023 -3.272 5.897 1.00 0.00 H new ATOM 0 HG2 LYS A 107 48.240 -1.469 4.331 1.00 0.00 H new ATOM 0 HG3 LYS A 107 49.400 -2.760 4.089 1.00 0.00 H new ATOM 0 HD2 LYS A 107 47.836 -4.166 3.032 1.00 0.00 H new ATOM 0 HD3 LYS A 107 46.470 -3.461 3.873 1.00 0.00 H new ATOM 0 HE2 LYS A 107 47.481 -1.274 2.416 1.00 0.00 H new ATOM 0 HE3 LYS A 107 47.721 -2.614 1.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 45.444 -1.745 1.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 45.422 -3.339 1.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 45.189 -2.040 2.804 1.00 0.00 H new ATOM 316 N ASN A 108 49.221 -3.526 8.581 1.00 0.00 N ATOM 317 CA ASN A 108 49.138 -4.104 9.952 1.00 0.00 C ATOM 318 C ASN A 108 49.604 -3.076 10.985 1.00 0.00 C ATOM 319 O ASN A 108 49.367 -3.217 12.169 1.00 0.00 O ATOM 320 CB ASN A 108 50.079 -5.309 9.931 1.00 0.00 C ATOM 321 CG ASN A 108 49.486 -6.404 9.041 1.00 0.00 C ATOM 322 OD1 ASN A 108 48.543 -7.068 9.422 1.00 0.00 O ATOM 323 ND2 ASN A 108 50.004 -6.623 7.864 1.00 0.00 N ATOM 0 H ASN A 108 49.943 -3.928 7.983 1.00 0.00 H new ATOM 0 HA ASN A 108 48.121 -4.387 10.222 1.00 0.00 H new ATOM 0 HB2 ASN A 108 51.059 -5.012 9.557 1.00 0.00 H new ATOM 0 HB3 ASN A 108 50.225 -5.687 10.943 1.00 0.00 H new ATOM 0 HD21 ASN A 108 49.617 -7.352 7.264 1.00 0.00 H new ATOM 0 HD22 ASN A 108 50.796 -6.066 7.544 1.00 0.00 H new ATOM 330 N ALA A 109 50.264 -2.040 10.546 1.00 0.00 N ATOM 331 CA ALA A 109 50.744 -1.000 11.500 1.00 0.00 C ATOM 332 C ALA A 109 51.685 -1.625 12.534 1.00 0.00 C ATOM 333 O ALA A 109 51.612 -1.333 13.712 1.00 0.00 O ATOM 334 CB ALA A 109 49.477 -0.471 12.177 1.00 0.00 C ATOM 0 H ALA A 109 50.492 -1.868 9.567 1.00 0.00 H new ATOM 0 HA ALA A 109 51.302 -0.207 11.002 1.00 0.00 H new ATOM 0 HB1 ALA A 109 49.745 0.302 12.897 1.00 0.00 H new ATOM 0 HB2 ALA A 109 48.811 -0.050 11.424 1.00 0.00 H new ATOM 0 HB3 ALA A 109 48.972 -1.288 12.692 1.00 0.00 H new ATOM 340 N ASP A 110 52.572 -2.481 12.104 1.00 0.00 N ATOM 341 CA ASP A 110 53.517 -3.120 13.064 1.00 0.00 C ATOM 342 C ASP A 110 54.719 -2.202 13.309 1.00 0.00 C ATOM 343 O ASP A 110 55.452 -2.366 14.265 1.00 0.00 O ATOM 344 CB ASP A 110 53.963 -4.417 12.386 1.00 0.00 C ATOM 345 CG ASP A 110 54.512 -4.106 10.993 1.00 0.00 C ATOM 346 OD1 ASP A 110 53.716 -3.828 10.112 1.00 0.00 O ATOM 347 OD2 ASP A 110 55.720 -4.150 10.832 1.00 0.00 O ATOM 0 H ASP A 110 52.683 -2.765 11.131 1.00 0.00 H new ATOM 0 HA ASP A 110 53.055 -3.308 14.033 1.00 0.00 H new ATOM 0 HB2 ASP A 110 54.727 -4.909 12.987 1.00 0.00 H new ATOM 0 HB3 ASP A 110 53.123 -5.107 12.311 1.00 0.00 H new ATOM 352 N GLY A 111 54.920 -1.234 12.458 1.00 0.00 N ATOM 353 CA GLY A 111 56.069 -0.304 12.649 1.00 0.00 C ATOM 354 C GLY A 111 57.089 -0.490 11.523 1.00 0.00 C ATOM 355 O GLY A 111 57.949 0.341 11.313 1.00 0.00 O ATOM 0 H GLY A 111 54.340 -1.047 11.640 1.00 0.00 H new ATOM 0 HA2 GLY A 111 55.714 0.727 12.662 1.00 0.00 H new ATOM 0 HA3 GLY A 111 56.542 -0.491 13.613 1.00 0.00 H new ATOM 359 N PHE A 112 57.006 -1.573 10.797 1.00 0.00 N ATOM 360 CA PHE A 112 57.983 -1.796 9.687 1.00 0.00 C ATOM 361 C PHE A 112 57.328 -2.581 8.550 1.00 0.00 C ATOM 362 O PHE A 112 56.640 -3.558 8.771 1.00 0.00 O ATOM 363 CB PHE A 112 59.123 -2.617 10.301 1.00 0.00 C ATOM 364 CG PHE A 112 59.427 -2.125 11.697 1.00 0.00 C ATOM 365 CD1 PHE A 112 58.677 -2.595 12.781 1.00 0.00 C ATOM 366 CD2 PHE A 112 60.460 -1.205 11.906 1.00 0.00 C ATOM 367 CE1 PHE A 112 58.959 -2.144 14.075 1.00 0.00 C ATOM 368 CE2 PHE A 112 60.742 -0.753 13.201 1.00 0.00 C ATOM 369 CZ PHE A 112 59.992 -1.223 14.285 1.00 0.00 C ATOM 0 H PHE A 112 56.310 -2.309 10.921 1.00 0.00 H new ATOM 0 HA PHE A 112 58.337 -0.854 9.269 1.00 0.00 H new ATOM 0 HB2 PHE A 112 58.847 -3.671 10.331 1.00 0.00 H new ATOM 0 HB3 PHE A 112 60.014 -2.539 9.678 1.00 0.00 H new ATOM 0 HD1 PHE A 112 57.880 -3.306 12.619 1.00 0.00 H new ATOM 0 HD2 PHE A 112 61.039 -0.844 11.069 1.00 0.00 H new ATOM 0 HE1 PHE A 112 58.380 -2.506 14.912 1.00 0.00 H new ATOM 0 HE2 PHE A 112 61.538 -0.042 13.363 1.00 0.00 H new ATOM 0 HZ PHE A 112 60.210 -0.875 15.284 1.00 0.00 H new ATOM 379 N ILE A 113 57.543 -2.167 7.332 1.00 0.00 N ATOM 380 CA ILE A 113 56.940 -2.897 6.180 1.00 0.00 C ATOM 381 C ILE A 113 57.842 -4.064 5.775 1.00 0.00 C ATOM 382 O ILE A 113 58.987 -3.878 5.409 1.00 0.00 O ATOM 383 CB ILE A 113 56.855 -1.864 5.057 1.00 0.00 C ATOM 384 CG1 ILE A 113 55.803 -0.812 5.416 1.00 0.00 C ATOM 385 CG2 ILE A 113 56.458 -2.558 3.753 1.00 0.00 C ATOM 386 CD1 ILE A 113 56.168 0.522 4.760 1.00 0.00 C ATOM 0 H ILE A 113 58.109 -1.356 7.084 1.00 0.00 H new ATOM 0 HA ILE A 113 55.962 -3.316 6.417 1.00 0.00 H new ATOM 0 HB ILE A 113 57.825 -1.383 4.930 1.00 0.00 H new ATOM 0 HG12 ILE A 113 54.819 -1.137 5.079 1.00 0.00 H new ATOM 0 HG13 ILE A 113 55.747 -0.694 6.498 1.00 0.00 H new ATOM 0 HG21 ILE A 113 56.397 -1.821 2.952 1.00 0.00 H new ATOM 0 HG22 ILE A 113 57.205 -3.310 3.499 1.00 0.00 H new ATOM 0 HG23 ILE A 113 55.488 -3.039 3.878 1.00 0.00 H new ATOM 0 HD11 ILE A 113 55.418 1.271 5.016 1.00 0.00 H new ATOM 0 HD12 ILE A 113 57.144 0.849 5.118 1.00 0.00 H new ATOM 0 HD13 ILE A 113 56.202 0.398 3.678 1.00 0.00 H new ATOM 398 N ASP A 114 57.343 -5.266 5.843 1.00 0.00 N ATOM 399 CA ASP A 114 58.181 -6.441 5.467 1.00 0.00 C ATOM 400 C ASP A 114 58.008 -6.764 3.980 1.00 0.00 C ATOM 401 O ASP A 114 57.334 -6.059 3.254 1.00 0.00 O ATOM 402 CB ASP A 114 57.667 -7.594 6.330 1.00 0.00 C ATOM 403 CG ASP A 114 56.189 -7.846 6.023 1.00 0.00 C ATOM 404 OD1 ASP A 114 55.504 -6.895 5.688 1.00 0.00 O ATOM 405 OD2 ASP A 114 55.770 -8.987 6.128 1.00 0.00 O ATOM 0 H ASP A 114 56.393 -5.487 6.142 1.00 0.00 H new ATOM 0 HA ASP A 114 59.243 -6.255 5.629 1.00 0.00 H new ATOM 0 HB2 ASP A 114 58.248 -8.495 6.134 1.00 0.00 H new ATOM 0 HB3 ASP A 114 57.794 -7.356 7.386 1.00 0.00 H new ATOM 410 N ILE A 115 58.616 -7.823 3.523 1.00 0.00 N ATOM 411 CA ILE A 115 58.495 -8.195 2.085 1.00 0.00 C ATOM 412 C ILE A 115 57.066 -8.644 1.766 1.00 0.00 C ATOM 413 O ILE A 115 56.531 -8.341 0.718 1.00 0.00 O ATOM 414 CB ILE A 115 59.480 -9.350 1.897 1.00 0.00 C ATOM 415 CG1 ILE A 115 59.677 -9.616 0.403 1.00 0.00 C ATOM 416 CG2 ILE A 115 58.928 -10.607 2.571 1.00 0.00 C ATOM 417 CD1 ILE A 115 61.001 -8.997 -0.052 1.00 0.00 C ATOM 0 H ILE A 115 59.193 -8.449 4.085 1.00 0.00 H new ATOM 0 HA ILE A 115 58.713 -7.358 1.421 1.00 0.00 H new ATOM 0 HB ILE A 115 60.437 -9.087 2.348 1.00 0.00 H new ATOM 0 HG12 ILE A 115 59.679 -10.689 0.210 1.00 0.00 H new ATOM 0 HG13 ILE A 115 58.850 -9.191 -0.166 1.00 0.00 H new ATOM 0 HG21 ILE A 115 59.630 -11.430 2.437 1.00 0.00 H new ATOM 0 HG22 ILE A 115 58.789 -10.418 3.636 1.00 0.00 H new ATOM 0 HG23 ILE A 115 57.970 -10.870 2.122 1.00 0.00 H new ATOM 0 HD11 ILE A 115 61.144 -9.185 -1.116 1.00 0.00 H new ATOM 0 HD12 ILE A 115 60.981 -7.922 0.127 1.00 0.00 H new ATOM 0 HD13 ILE A 115 61.823 -9.443 0.509 1.00 0.00 H new ATOM 429 N GLU A 116 56.443 -9.364 2.658 1.00 0.00 N ATOM 430 CA GLU A 116 55.050 -9.829 2.397 1.00 0.00 C ATOM 431 C GLU A 116 54.128 -8.632 2.143 1.00 0.00 C ATOM 432 O GLU A 116 53.463 -8.555 1.129 1.00 0.00 O ATOM 433 CB GLU A 116 54.631 -10.573 3.665 1.00 0.00 C ATOM 434 CG GLU A 116 54.885 -12.070 3.482 1.00 0.00 C ATOM 435 CD GLU A 116 54.611 -12.800 4.797 1.00 0.00 C ATOM 436 OE1 GLU A 116 53.853 -12.276 5.597 1.00 0.00 O ATOM 437 OE2 GLU A 116 55.164 -13.872 4.984 1.00 0.00 O ATOM 0 H GLU A 116 56.836 -9.650 3.554 1.00 0.00 H new ATOM 0 HA GLU A 116 54.989 -10.467 1.515 1.00 0.00 H new ATOM 0 HB2 GLU A 116 55.192 -10.200 4.521 1.00 0.00 H new ATOM 0 HB3 GLU A 116 53.576 -10.395 3.873 1.00 0.00 H new ATOM 0 HG2 GLU A 116 54.243 -12.465 2.694 1.00 0.00 H new ATOM 0 HG3 GLU A 116 55.915 -12.239 3.168 1.00 0.00 H new ATOM 444 N GLU A 117 54.081 -7.697 3.052 1.00 0.00 N ATOM 445 CA GLU A 117 53.201 -6.511 2.850 1.00 0.00 C ATOM 446 C GLU A 117 53.387 -5.962 1.433 1.00 0.00 C ATOM 447 O GLU A 117 52.440 -5.576 0.777 1.00 0.00 O ATOM 448 CB GLU A 117 53.658 -5.489 3.892 1.00 0.00 C ATOM 449 CG GLU A 117 52.797 -5.626 5.150 1.00 0.00 C ATOM 450 CD GLU A 117 52.913 -4.352 5.990 1.00 0.00 C ATOM 451 OE1 GLU A 117 54.004 -4.073 6.459 1.00 0.00 O ATOM 452 OE2 GLU A 117 51.909 -3.679 6.150 1.00 0.00 O ATOM 0 H GLU A 117 54.612 -7.703 3.923 1.00 0.00 H new ATOM 0 HA GLU A 117 52.144 -6.753 2.964 1.00 0.00 H new ATOM 0 HB2 GLU A 117 54.708 -5.648 4.137 1.00 0.00 H new ATOM 0 HB3 GLU A 117 53.574 -4.480 3.489 1.00 0.00 H new ATOM 0 HG2 GLU A 117 51.757 -5.799 4.874 1.00 0.00 H new ATOM 0 HG3 GLU A 117 53.120 -6.489 5.732 1.00 0.00 H new ATOM 459 N LEU A 118 54.602 -5.930 0.955 1.00 0.00 N ATOM 460 CA LEU A 118 54.849 -5.412 -0.421 1.00 0.00 C ATOM 461 C LEU A 118 54.105 -6.271 -1.447 1.00 0.00 C ATOM 462 O LEU A 118 53.415 -5.767 -2.311 1.00 0.00 O ATOM 463 CB LEU A 118 56.362 -5.532 -0.624 1.00 0.00 C ATOM 464 CG LEU A 118 56.947 -4.154 -0.945 1.00 0.00 C ATOM 465 CD1 LEU A 118 56.440 -3.133 0.075 1.00 0.00 C ATOM 466 CD2 LEU A 118 58.475 -4.223 -0.882 1.00 0.00 C ATOM 0 H LEU A 118 55.434 -6.240 1.458 1.00 0.00 H new ATOM 0 HA LEU A 118 54.500 -4.387 -0.546 1.00 0.00 H new ATOM 0 HB2 LEU A 118 56.829 -5.936 0.274 1.00 0.00 H new ATOM 0 HB3 LEU A 118 56.576 -6.227 -1.435 1.00 0.00 H new ATOM 0 HG LEU A 118 56.637 -3.851 -1.945 1.00 0.00 H new ATOM 0 HD11 LEU A 118 56.857 -2.152 -0.154 1.00 0.00 H new ATOM 0 HD12 LEU A 118 55.352 -3.084 0.031 1.00 0.00 H new ATOM 0 HD13 LEU A 118 56.749 -3.434 1.076 1.00 0.00 H new ATOM 0 HD21 LEU A 118 58.893 -3.243 -1.110 1.00 0.00 H new ATOM 0 HD22 LEU A 118 58.785 -4.526 0.118 1.00 0.00 H new ATOM 0 HD23 LEU A 118 58.837 -4.950 -1.609 1.00 0.00 H new ATOM 478 N GLY A 119 54.244 -7.565 -1.359 1.00 0.00 N ATOM 479 CA GLY A 119 53.551 -8.462 -2.327 1.00 0.00 C ATOM 480 C GLY A 119 52.062 -8.114 -2.378 1.00 0.00 C ATOM 481 O GLY A 119 51.571 -7.593 -3.360 1.00 0.00 O ATOM 0 H GLY A 119 54.809 -8.041 -0.656 1.00 0.00 H new ATOM 0 HA2 GLY A 119 53.993 -8.355 -3.317 1.00 0.00 H new ATOM 0 HA3 GLY A 119 53.681 -9.503 -2.030 1.00 0.00 H new ATOM 485 N GLU A 120 51.337 -8.400 -1.331 1.00 0.00 N ATOM 486 CA GLU A 120 49.881 -8.087 -1.327 1.00 0.00 C ATOM 487 C GLU A 120 49.647 -6.656 -1.819 1.00 0.00 C ATOM 488 O GLU A 120 48.785 -6.402 -2.637 1.00 0.00 O ATOM 489 CB GLU A 120 49.442 -8.239 0.131 1.00 0.00 C ATOM 490 CG GLU A 120 50.251 -7.290 1.017 1.00 0.00 C ATOM 491 CD GLU A 120 49.958 -7.592 2.488 1.00 0.00 C ATOM 492 OE1 GLU A 120 50.014 -8.753 2.857 1.00 0.00 O ATOM 493 OE2 GLU A 120 49.680 -6.656 3.220 1.00 0.00 O ATOM 0 H GLU A 120 51.690 -8.836 -0.479 1.00 0.00 H new ATOM 0 HA GLU A 120 49.316 -8.744 -1.988 1.00 0.00 H new ATOM 0 HB2 GLU A 120 48.378 -8.021 0.225 1.00 0.00 H new ATOM 0 HB3 GLU A 120 49.586 -9.269 0.458 1.00 0.00 H new ATOM 0 HG2 GLU A 120 51.316 -7.407 0.816 1.00 0.00 H new ATOM 0 HG3 GLU A 120 49.995 -6.255 0.789 1.00 0.00 H new ATOM 500 N ILE A 121 50.411 -5.720 -1.327 1.00 0.00 N ATOM 501 CA ILE A 121 50.236 -4.306 -1.767 1.00 0.00 C ATOM 502 C ILE A 121 50.168 -4.238 -3.296 1.00 0.00 C ATOM 503 O ILE A 121 49.157 -3.878 -3.867 1.00 0.00 O ATOM 504 CB ILE A 121 51.475 -3.576 -1.230 1.00 0.00 C ATOM 505 CG1 ILE A 121 51.201 -3.107 0.200 1.00 0.00 C ATOM 506 CG2 ILE A 121 51.797 -2.361 -2.108 1.00 0.00 C ATOM 507 CD1 ILE A 121 52.517 -2.727 0.879 1.00 0.00 C ATOM 0 H ILE A 121 51.149 -5.873 -0.639 1.00 0.00 H new ATOM 0 HA ILE A 121 49.314 -3.857 -1.397 1.00 0.00 H new ATOM 0 HB ILE A 121 52.325 -4.259 -1.244 1.00 0.00 H new ATOM 0 HG12 ILE A 121 50.526 -2.251 0.189 1.00 0.00 H new ATOM 0 HG13 ILE A 121 50.705 -3.897 0.763 1.00 0.00 H new ATOM 0 HG21 ILE A 121 52.678 -1.852 -1.716 1.00 0.00 H new ATOM 0 HG22 ILE A 121 51.992 -2.691 -3.128 1.00 0.00 H new ATOM 0 HG23 ILE A 121 50.950 -1.675 -2.105 1.00 0.00 H new ATOM 0 HD11 ILE A 121 52.318 -2.393 1.897 1.00 0.00 H new ATOM 0 HD12 ILE A 121 53.177 -3.594 0.904 1.00 0.00 H new ATOM 0 HD13 ILE A 121 52.995 -1.922 0.321 1.00 0.00 H new ATOM 519 N LEU A 122 51.237 -4.577 -3.962 1.00 0.00 N ATOM 520 CA LEU A 122 51.238 -4.527 -5.453 1.00 0.00 C ATOM 521 C LEU A 122 50.190 -5.489 -6.022 1.00 0.00 C ATOM 522 O LEU A 122 49.451 -5.154 -6.927 1.00 0.00 O ATOM 523 CB LEU A 122 52.644 -4.966 -5.861 1.00 0.00 C ATOM 524 CG LEU A 122 53.635 -3.837 -5.577 1.00 0.00 C ATOM 525 CD1 LEU A 122 55.059 -4.393 -5.582 1.00 0.00 C ATOM 526 CD2 LEU A 122 53.504 -2.763 -6.659 1.00 0.00 C ATOM 0 H LEU A 122 52.112 -4.887 -3.538 1.00 0.00 H new ATOM 0 HA LEU A 122 50.992 -3.535 -5.831 1.00 0.00 H new ATOM 0 HB2 LEU A 122 52.930 -5.862 -5.311 1.00 0.00 H new ATOM 0 HB3 LEU A 122 52.663 -5.223 -6.920 1.00 0.00 H new ATOM 0 HG LEU A 122 53.420 -3.401 -4.601 1.00 0.00 H new ATOM 0 HD11 LEU A 122 55.765 -3.587 -5.379 1.00 0.00 H new ATOM 0 HD12 LEU A 122 55.153 -5.160 -4.813 1.00 0.00 H new ATOM 0 HD13 LEU A 122 55.276 -4.829 -6.557 1.00 0.00 H new ATOM 0 HD21 LEU A 122 54.210 -1.957 -6.459 1.00 0.00 H new ATOM 0 HD22 LEU A 122 53.720 -3.200 -7.634 1.00 0.00 H new ATOM 0 HD23 LEU A 122 52.489 -2.366 -6.656 1.00 0.00 H new ATOM 538 N ARG A 123 50.126 -6.684 -5.503 1.00 0.00 N ATOM 539 CA ARG A 123 49.131 -7.670 -6.018 1.00 0.00 C ATOM 540 C ARG A 123 47.714 -7.092 -5.958 1.00 0.00 C ATOM 541 O ARG A 123 46.899 -7.339 -6.823 1.00 0.00 O ATOM 542 CB ARG A 123 49.258 -8.879 -5.093 1.00 0.00 C ATOM 543 CG ARG A 123 49.698 -10.097 -5.907 1.00 0.00 C ATOM 544 CD ARG A 123 50.623 -10.973 -5.060 1.00 0.00 C ATOM 545 NE ARG A 123 49.715 -11.718 -4.144 1.00 0.00 N ATOM 546 CZ ARG A 123 48.849 -12.563 -4.631 1.00 0.00 C ATOM 547 NH1 ARG A 123 47.682 -12.142 -5.033 1.00 0.00 N ATOM 548 NH2 ARG A 123 49.152 -13.831 -4.717 1.00 0.00 N ATOM 0 H ARG A 123 50.719 -7.022 -4.745 1.00 0.00 H new ATOM 0 HA ARG A 123 49.316 -7.930 -7.060 1.00 0.00 H new ATOM 0 HB2 ARG A 123 49.982 -8.673 -4.305 1.00 0.00 H new ATOM 0 HB3 ARG A 123 48.304 -9.079 -4.605 1.00 0.00 H new ATOM 0 HG2 ARG A 123 48.826 -10.670 -6.223 1.00 0.00 H new ATOM 0 HG3 ARG A 123 50.213 -9.775 -6.812 1.00 0.00 H new ATOM 0 HD2 ARG A 123 51.201 -11.655 -5.684 1.00 0.00 H new ATOM 0 HD3 ARG A 123 51.338 -10.368 -4.502 1.00 0.00 H new ATOM 0 HE ARG A 123 49.770 -11.567 -3.137 1.00 0.00 H new ATOM 0 HH11 ARG A 123 47.446 -11.152 -4.967 1.00 0.00 H new ATOM 0 HH12 ARG A 123 47.005 -12.803 -5.414 1.00 0.00 H new ATOM 0 HH21 ARG A 123 50.065 -14.160 -4.403 1.00 0.00 H new ATOM 0 HH22 ARG A 123 48.475 -14.492 -5.098 1.00 0.00 H new ATOM 562 N ALA A 124 47.413 -6.328 -4.945 1.00 0.00 N ATOM 563 CA ALA A 124 46.044 -5.743 -4.839 1.00 0.00 C ATOM 564 C ALA A 124 45.634 -5.124 -6.178 1.00 0.00 C ATOM 565 O ALA A 124 44.468 -5.053 -6.509 1.00 0.00 O ATOM 566 CB ALA A 124 46.153 -4.665 -3.761 1.00 0.00 C ATOM 0 H ALA A 124 48.052 -6.083 -4.188 1.00 0.00 H new ATOM 0 HA ALA A 124 45.292 -6.491 -4.588 1.00 0.00 H new ATOM 0 HB1 ALA A 124 45.183 -4.187 -3.625 1.00 0.00 H new ATOM 0 HB2 ALA A 124 46.468 -5.120 -2.822 1.00 0.00 H new ATOM 0 HB3 ALA A 124 46.886 -3.918 -4.066 1.00 0.00 H new ATOM 572 N THR A 125 46.585 -4.676 -6.950 1.00 0.00 N ATOM 573 CA THR A 125 46.251 -4.062 -8.266 1.00 0.00 C ATOM 574 C THR A 125 46.014 -5.157 -9.310 1.00 0.00 C ATOM 575 O THR A 125 45.046 -5.128 -10.046 1.00 0.00 O ATOM 576 CB THR A 125 47.477 -3.225 -8.634 1.00 0.00 C ATOM 577 OG1 THR A 125 48.559 -4.089 -8.954 1.00 0.00 O ATOM 578 CG2 THR A 125 47.862 -2.337 -7.451 1.00 0.00 C ATOM 0 H THR A 125 47.580 -4.709 -6.726 1.00 0.00 H new ATOM 0 HA THR A 125 45.344 -3.458 -8.225 1.00 0.00 H new ATOM 0 HB THR A 125 47.246 -2.598 -9.495 1.00 0.00 H new ATOM 0 HG1 THR A 125 49.151 -4.173 -8.177 1.00 0.00 H new ATOM 0 HG21 THR A 125 48.736 -1.740 -7.713 1.00 0.00 H new ATOM 0 HG22 THR A 125 47.031 -1.675 -7.207 1.00 0.00 H new ATOM 0 HG23 THR A 125 48.094 -2.961 -6.588 1.00 0.00 H new ATOM 586 N GLY A 126 46.889 -6.121 -9.381 1.00 0.00 N ATOM 587 CA GLY A 126 46.712 -7.216 -10.376 1.00 0.00 C ATOM 588 C GLY A 126 47.839 -7.158 -11.407 1.00 0.00 C ATOM 589 O GLY A 126 47.643 -7.438 -12.572 1.00 0.00 O ATOM 0 H GLY A 126 47.719 -6.198 -8.793 1.00 0.00 H new ATOM 0 HA2 GLY A 126 46.715 -8.183 -9.873 1.00 0.00 H new ATOM 0 HA3 GLY A 126 45.746 -7.118 -10.872 1.00 0.00 H new ATOM 593 N GLU A 127 49.022 -6.796 -10.989 1.00 0.00 N ATOM 594 CA GLU A 127 50.161 -6.724 -11.948 1.00 0.00 C ATOM 595 C GLU A 127 51.027 -7.980 -11.827 1.00 0.00 C ATOM 596 O GLU A 127 52.153 -8.012 -12.281 1.00 0.00 O ATOM 597 CB GLU A 127 50.951 -5.481 -11.535 1.00 0.00 C ATOM 598 CG GLU A 127 50.582 -4.315 -12.455 1.00 0.00 C ATOM 599 CD GLU A 127 51.696 -3.267 -12.424 1.00 0.00 C ATOM 600 OE1 GLU A 127 52.640 -3.456 -11.675 1.00 0.00 O ATOM 601 OE2 GLU A 127 51.585 -2.292 -13.149 1.00 0.00 O ATOM 0 H GLU A 127 49.248 -6.547 -10.026 1.00 0.00 H new ATOM 0 HA GLU A 127 49.829 -6.665 -12.984 1.00 0.00 H new ATOM 0 HB2 GLU A 127 50.731 -5.225 -10.499 1.00 0.00 H new ATOM 0 HB3 GLU A 127 52.021 -5.680 -11.594 1.00 0.00 H new ATOM 0 HG2 GLU A 127 50.435 -4.674 -13.473 1.00 0.00 H new ATOM 0 HG3 GLU A 127 49.640 -3.869 -12.135 1.00 0.00 H new ATOM 608 N HIS A 128 50.504 -9.012 -11.216 1.00 0.00 N ATOM 609 CA HIS A 128 51.284 -10.276 -11.056 1.00 0.00 C ATOM 610 C HIS A 128 52.755 -9.965 -10.765 1.00 0.00 C ATOM 611 O HIS A 128 53.650 -10.572 -11.319 1.00 0.00 O ATOM 612 CB HIS A 128 51.138 -11.006 -12.392 1.00 0.00 C ATOM 613 CG HIS A 128 51.909 -10.276 -13.457 1.00 0.00 C ATOM 614 ND1 HIS A 128 51.346 -9.255 -14.208 1.00 0.00 N ATOM 615 CD2 HIS A 128 53.197 -10.409 -13.911 1.00 0.00 C ATOM 616 CE1 HIS A 128 52.286 -8.817 -15.067 1.00 0.00 C ATOM 617 NE2 HIS A 128 53.434 -9.487 -14.927 1.00 0.00 N ATOM 0 H HIS A 128 49.565 -9.033 -10.819 1.00 0.00 H new ATOM 0 HA HIS A 128 50.923 -10.879 -10.223 1.00 0.00 H new ATOM 0 HB2 HIS A 128 51.505 -12.028 -12.300 1.00 0.00 H new ATOM 0 HB3 HIS A 128 50.086 -11.069 -12.670 1.00 0.00 H new ATOM 0 HD2 HIS A 128 53.918 -11.121 -13.537 1.00 0.00 H new ATOM 0 HE1 HIS A 128 52.131 -8.022 -15.781 1.00 0.00 H new ATOM 0 HE2 HIS A 128 54.298 -9.352 -15.452 1.00 0.00 H new ATOM 625 N VAL A 129 53.010 -9.022 -9.899 1.00 0.00 N ATOM 626 CA VAL A 129 54.421 -8.671 -9.571 1.00 0.00 C ATOM 627 C VAL A 129 55.144 -9.881 -8.971 1.00 0.00 C ATOM 628 O VAL A 129 54.783 -10.374 -7.921 1.00 0.00 O ATOM 629 CB VAL A 129 54.318 -7.543 -8.542 1.00 0.00 C ATOM 630 CG1 VAL A 129 55.706 -6.950 -8.292 1.00 0.00 C ATOM 631 CG2 VAL A 129 53.388 -6.451 -9.075 1.00 0.00 C ATOM 0 H VAL A 129 52.302 -8.479 -9.404 1.00 0.00 H new ATOM 0 HA VAL A 129 54.987 -8.370 -10.453 1.00 0.00 H new ATOM 0 HB VAL A 129 53.919 -7.939 -7.608 1.00 0.00 H new ATOM 0 HG11 VAL A 129 55.632 -6.147 -7.559 1.00 0.00 H new ATOM 0 HG12 VAL A 129 56.371 -7.727 -7.913 1.00 0.00 H new ATOM 0 HG13 VAL A 129 56.106 -6.554 -9.225 1.00 0.00 H new ATOM 0 HG21 VAL A 129 53.314 -5.647 -8.343 1.00 0.00 H new ATOM 0 HG22 VAL A 129 53.788 -6.056 -10.009 1.00 0.00 H new ATOM 0 HG23 VAL A 129 52.398 -6.871 -9.254 1.00 0.00 H new ATOM 641 N ILE A 130 56.162 -10.364 -9.632 1.00 0.00 N ATOM 642 CA ILE A 130 56.905 -11.542 -9.099 1.00 0.00 C ATOM 643 C ILE A 130 57.844 -11.111 -7.970 1.00 0.00 C ATOM 644 O ILE A 130 58.355 -10.009 -7.960 1.00 0.00 O ATOM 645 CB ILE A 130 57.704 -12.075 -10.287 1.00 0.00 C ATOM 646 CG1 ILE A 130 58.784 -11.061 -10.670 1.00 0.00 C ATOM 647 CG2 ILE A 130 56.768 -12.296 -11.476 1.00 0.00 C ATOM 648 CD1 ILE A 130 59.473 -11.511 -11.959 1.00 0.00 C ATOM 0 H ILE A 130 56.510 -9.994 -10.516 1.00 0.00 H new ATOM 0 HA ILE A 130 56.238 -12.297 -8.684 1.00 0.00 H new ATOM 0 HB ILE A 130 58.172 -13.021 -10.014 1.00 0.00 H new ATOM 0 HG12 ILE A 130 58.340 -10.075 -10.808 1.00 0.00 H new ATOM 0 HG13 ILE A 130 59.515 -10.972 -9.867 1.00 0.00 H new ATOM 0 HG21 ILE A 130 57.339 -12.676 -12.323 1.00 0.00 H new ATOM 0 HG22 ILE A 130 55.998 -13.018 -11.204 1.00 0.00 H new ATOM 0 HG23 ILE A 130 56.298 -11.351 -11.750 1.00 0.00 H new ATOM 0 HD11 ILE A 130 60.242 -10.789 -12.232 1.00 0.00 H new ATOM 0 HD12 ILE A 130 59.931 -12.488 -11.805 1.00 0.00 H new ATOM 0 HD13 ILE A 130 58.737 -11.578 -12.761 1.00 0.00 H new ATOM 660 N GLU A 131 58.075 -11.973 -7.017 1.00 0.00 N ATOM 661 CA GLU A 131 58.981 -11.613 -5.887 1.00 0.00 C ATOM 662 C GLU A 131 60.251 -10.938 -6.417 1.00 0.00 C ATOM 663 O GLU A 131 60.672 -9.913 -5.919 1.00 0.00 O ATOM 664 CB GLU A 131 59.324 -12.943 -5.213 1.00 0.00 C ATOM 665 CG GLU A 131 58.855 -12.912 -3.756 1.00 0.00 C ATOM 666 CD GLU A 131 57.914 -14.090 -3.497 1.00 0.00 C ATOM 667 OE1 GLU A 131 56.835 -14.097 -4.065 1.00 0.00 O ATOM 668 OE2 GLU A 131 58.288 -14.965 -2.733 1.00 0.00 O ATOM 0 H GLU A 131 57.676 -12.911 -6.971 1.00 0.00 H new ATOM 0 HA GLU A 131 58.515 -10.912 -5.194 1.00 0.00 H new ATOM 0 HB2 GLU A 131 58.845 -13.766 -5.743 1.00 0.00 H new ATOM 0 HB3 GLU A 131 60.399 -13.119 -5.257 1.00 0.00 H new ATOM 0 HG2 GLU A 131 59.713 -12.964 -3.086 1.00 0.00 H new ATOM 0 HG3 GLU A 131 58.344 -11.972 -3.547 1.00 0.00 H new ATOM 675 N GLU A 132 60.865 -11.508 -7.421 1.00 0.00 N ATOM 676 CA GLU A 132 62.110 -10.902 -7.980 1.00 0.00 C ATOM 677 C GLU A 132 61.974 -9.380 -8.063 1.00 0.00 C ATOM 678 O GLU A 132 62.919 -8.649 -7.839 1.00 0.00 O ATOM 679 CB GLU A 132 62.253 -11.503 -9.378 1.00 0.00 C ATOM 680 CG GLU A 132 62.925 -12.875 -9.279 1.00 0.00 C ATOM 681 CD GLU A 132 62.345 -13.808 -10.344 1.00 0.00 C ATOM 682 OE1 GLU A 132 62.880 -13.829 -11.440 1.00 0.00 O ATOM 683 OE2 GLU A 132 61.374 -14.486 -10.045 1.00 0.00 O ATOM 0 H GLU A 132 60.558 -12.367 -7.878 1.00 0.00 H new ATOM 0 HA GLU A 132 62.980 -11.107 -7.356 1.00 0.00 H new ATOM 0 HB2 GLU A 132 61.273 -11.599 -9.846 1.00 0.00 H new ATOM 0 HB3 GLU A 132 62.845 -10.841 -10.011 1.00 0.00 H new ATOM 0 HG2 GLU A 132 64.002 -12.775 -9.416 1.00 0.00 H new ATOM 0 HG3 GLU A 132 62.768 -13.297 -8.286 1.00 0.00 H new ATOM 690 N ASP A 133 60.804 -8.896 -8.375 1.00 0.00 N ATOM 691 CA ASP A 133 60.608 -7.422 -8.462 1.00 0.00 C ATOM 692 C ASP A 133 60.340 -6.863 -7.067 1.00 0.00 C ATOM 693 O ASP A 133 60.886 -5.851 -6.672 1.00 0.00 O ATOM 694 CB ASP A 133 59.392 -7.231 -9.367 1.00 0.00 C ATOM 695 CG ASP A 133 59.800 -6.431 -10.606 1.00 0.00 C ATOM 696 OD1 ASP A 133 60.703 -5.619 -10.491 1.00 0.00 O ATOM 697 OD2 ASP A 133 59.203 -6.645 -11.648 1.00 0.00 O ATOM 0 H ASP A 133 59.976 -9.457 -8.573 1.00 0.00 H new ATOM 0 HA ASP A 133 61.482 -6.904 -8.857 1.00 0.00 H new ATOM 0 HB2 ASP A 133 58.989 -8.200 -9.663 1.00 0.00 H new ATOM 0 HB3 ASP A 133 58.602 -6.709 -8.827 1.00 0.00 H new ATOM 702 N ILE A 134 59.512 -7.528 -6.310 1.00 0.00 N ATOM 703 CA ILE A 134 59.217 -7.052 -4.933 1.00 0.00 C ATOM 704 C ILE A 134 60.490 -7.109 -4.087 1.00 0.00 C ATOM 705 O ILE A 134 60.752 -6.244 -3.275 1.00 0.00 O ATOM 706 CB ILE A 134 58.180 -8.028 -4.392 1.00 0.00 C ATOM 707 CG1 ILE A 134 56.976 -8.058 -5.333 1.00 0.00 C ATOM 708 CG2 ILE A 134 57.736 -7.569 -3.004 1.00 0.00 C ATOM 709 CD1 ILE A 134 55.870 -8.909 -4.713 1.00 0.00 C ATOM 0 H ILE A 134 59.027 -8.381 -6.587 1.00 0.00 H new ATOM 0 HA ILE A 134 58.856 -6.024 -4.914 1.00 0.00 H new ATOM 0 HB ILE A 134 58.611 -9.027 -4.324 1.00 0.00 H new ATOM 0 HG12 ILE A 134 56.614 -7.045 -5.511 1.00 0.00 H new ATOM 0 HG13 ILE A 134 57.266 -8.468 -6.300 1.00 0.00 H new ATOM 0 HG21 ILE A 134 56.994 -8.264 -2.611 1.00 0.00 H new ATOM 0 HG22 ILE A 134 58.597 -7.543 -2.337 1.00 0.00 H new ATOM 0 HG23 ILE A 134 57.300 -6.572 -3.073 1.00 0.00 H new ATOM 0 HD11 ILE A 134 55.010 -8.932 -5.382 1.00 0.00 H new ATOM 0 HD12 ILE A 134 56.236 -9.924 -4.557 1.00 0.00 H new ATOM 0 HD13 ILE A 134 55.574 -8.479 -3.756 1.00 0.00 H new ATOM 721 N GLU A 135 61.282 -8.129 -4.276 1.00 0.00 N ATOM 722 CA GLU A 135 62.544 -8.253 -3.489 1.00 0.00 C ATOM 723 C GLU A 135 63.442 -7.038 -3.736 1.00 0.00 C ATOM 724 O GLU A 135 63.920 -6.410 -2.814 1.00 0.00 O ATOM 725 CB GLU A 135 63.211 -9.528 -4.009 1.00 0.00 C ATOM 726 CG GLU A 135 63.099 -10.631 -2.955 1.00 0.00 C ATOM 727 CD GLU A 135 64.383 -10.675 -2.122 1.00 0.00 C ATOM 728 OE1 GLU A 135 65.007 -9.637 -1.978 1.00 0.00 O ATOM 729 OE2 GLU A 135 64.720 -11.746 -1.644 1.00 0.00 O ATOM 0 H GLU A 135 61.110 -8.883 -4.942 1.00 0.00 H new ATOM 0 HA GLU A 135 62.359 -8.298 -2.416 1.00 0.00 H new ATOM 0 HB2 GLU A 135 62.735 -9.847 -4.936 1.00 0.00 H new ATOM 0 HB3 GLU A 135 64.259 -9.335 -4.238 1.00 0.00 H new ATOM 0 HG2 GLU A 135 62.240 -10.446 -2.309 1.00 0.00 H new ATOM 0 HG3 GLU A 135 62.933 -11.594 -3.438 1.00 0.00 H new ATOM 736 N ASP A 136 63.675 -6.704 -4.976 1.00 0.00 N ATOM 737 CA ASP A 136 64.542 -5.530 -5.279 1.00 0.00 C ATOM 738 C ASP A 136 64.155 -4.345 -4.389 1.00 0.00 C ATOM 739 O ASP A 136 64.994 -3.724 -3.767 1.00 0.00 O ATOM 740 CB ASP A 136 64.273 -5.208 -6.750 1.00 0.00 C ATOM 741 CG ASP A 136 65.075 -3.971 -7.159 1.00 0.00 C ATOM 742 OD1 ASP A 136 65.070 -3.010 -6.407 1.00 0.00 O ATOM 743 OD2 ASP A 136 65.682 -4.005 -8.217 1.00 0.00 O ATOM 0 H ASP A 136 63.303 -7.192 -5.791 1.00 0.00 H new ATOM 0 HA ASP A 136 65.596 -5.735 -5.094 1.00 0.00 H new ATOM 0 HB2 ASP A 136 64.550 -6.057 -7.375 1.00 0.00 H new ATOM 0 HB3 ASP A 136 63.209 -5.032 -6.906 1.00 0.00 H new ATOM 748 N LEU A 137 62.890 -4.030 -4.321 1.00 0.00 N ATOM 749 CA LEU A 137 62.452 -2.888 -3.469 1.00 0.00 C ATOM 750 C LEU A 137 63.016 -3.039 -2.053 1.00 0.00 C ATOM 751 O LEU A 137 63.417 -2.078 -1.428 1.00 0.00 O ATOM 752 CB LEU A 137 60.925 -2.971 -3.449 1.00 0.00 C ATOM 753 CG LEU A 137 60.337 -1.611 -3.825 1.00 0.00 C ATOM 754 CD1 LEU A 137 60.765 -1.248 -5.247 1.00 0.00 C ATOM 755 CD2 LEU A 137 58.810 -1.679 -3.752 1.00 0.00 C ATOM 0 H LEU A 137 62.142 -4.513 -4.818 1.00 0.00 H new ATOM 0 HA LEU A 137 62.803 -1.929 -3.851 1.00 0.00 H new ATOM 0 HB2 LEU A 137 60.582 -3.734 -4.148 1.00 0.00 H new ATOM 0 HB3 LEU A 137 60.579 -3.268 -2.459 1.00 0.00 H new ATOM 0 HG LEU A 137 60.700 -0.852 -3.132 1.00 0.00 H new ATOM 0 HD11 LEU A 137 60.346 -0.278 -5.517 1.00 0.00 H new ATOM 0 HD12 LEU A 137 61.853 -1.201 -5.299 1.00 0.00 H new ATOM 0 HD13 LEU A 137 60.401 -2.006 -5.941 1.00 0.00 H new ATOM 0 HD21 LEU A 137 58.389 -0.710 -4.020 1.00 0.00 H new ATOM 0 HD22 LEU A 137 58.446 -2.437 -4.446 1.00 0.00 H new ATOM 0 HD23 LEU A 137 58.505 -1.939 -2.738 1.00 0.00 H new ATOM 767 N MET A 138 63.050 -4.240 -1.542 1.00 0.00 N ATOM 768 CA MET A 138 63.587 -4.452 -0.169 1.00 0.00 C ATOM 769 C MET A 138 65.110 -4.301 -0.172 1.00 0.00 C ATOM 770 O MET A 138 65.664 -3.488 0.539 1.00 0.00 O ATOM 771 CB MET A 138 63.190 -5.883 0.193 1.00 0.00 C ATOM 772 CG MET A 138 63.399 -6.110 1.691 1.00 0.00 C ATOM 773 SD MET A 138 61.839 -6.635 2.447 1.00 0.00 S ATOM 774 CE MET A 138 61.127 -4.986 2.670 1.00 0.00 C ATOM 0 H MET A 138 62.729 -5.083 -2.017 1.00 0.00 H new ATOM 0 HA MET A 138 63.197 -3.728 0.546 1.00 0.00 H new ATOM 0 HB2 MET A 138 62.147 -6.059 -0.070 1.00 0.00 H new ATOM 0 HB3 MET A 138 63.787 -6.593 -0.379 1.00 0.00 H new ATOM 0 HG2 MET A 138 64.166 -6.868 1.851 1.00 0.00 H new ATOM 0 HG3 MET A 138 63.753 -5.193 2.162 1.00 0.00 H new ATOM 0 HE1 MET A 138 60.043 -5.066 2.752 1.00 0.00 H new ATOM 0 HE2 MET A 138 61.528 -4.537 3.579 1.00 0.00 H new ATOM 0 HE3 MET A 138 61.381 -4.361 1.814 1.00 0.00 H new ATOM 784 N LYS A 139 65.791 -5.079 -0.966 1.00 0.00 N ATOM 785 CA LYS A 139 67.277 -4.981 -1.013 1.00 0.00 C ATOM 786 C LYS A 139 67.717 -3.513 -1.031 1.00 0.00 C ATOM 787 O LYS A 139 68.381 -3.042 -0.128 1.00 0.00 O ATOM 788 CB LYS A 139 67.680 -5.673 -2.316 1.00 0.00 C ATOM 789 CG LYS A 139 67.548 -7.188 -2.151 1.00 0.00 C ATOM 790 CD LYS A 139 68.932 -7.799 -1.927 1.00 0.00 C ATOM 791 CE LYS A 139 68.821 -8.967 -0.944 1.00 0.00 C ATOM 792 NZ LYS A 139 68.977 -8.351 0.403 1.00 0.00 N ATOM 0 H LYS A 139 65.383 -5.779 -1.585 1.00 0.00 H new ATOM 0 HA LYS A 139 67.744 -5.441 -0.142 1.00 0.00 H new ATOM 0 HB2 LYS A 139 67.047 -5.329 -3.134 1.00 0.00 H new ATOM 0 HB3 LYS A 139 68.706 -5.413 -2.576 1.00 0.00 H new ATOM 0 HG2 LYS A 139 66.897 -7.417 -1.308 1.00 0.00 H new ATOM 0 HG3 LYS A 139 67.086 -7.622 -3.038 1.00 0.00 H new ATOM 0 HD2 LYS A 139 69.346 -8.145 -2.874 1.00 0.00 H new ATOM 0 HD3 LYS A 139 69.615 -7.045 -1.537 1.00 0.00 H new ATOM 0 HE2 LYS A 139 67.860 -9.473 -1.038 1.00 0.00 H new ATOM 0 HE3 LYS A 139 69.593 -9.714 -1.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 139 68.912 -9.090 1.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 139 69.904 -7.883 0.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 139 68.224 -7.650 0.553 1.00 0.00 H new ATOM 806 N ASP A 140 67.355 -2.791 -2.056 1.00 0.00 N ATOM 807 CA ASP A 140 67.754 -1.356 -2.144 1.00 0.00 C ATOM 808 C ASP A 140 67.331 -0.595 -0.882 1.00 0.00 C ATOM 809 O ASP A 140 67.856 0.458 -0.579 1.00 0.00 O ATOM 810 CB ASP A 140 67.015 -0.816 -3.369 1.00 0.00 C ATOM 811 CG ASP A 140 67.888 0.221 -4.077 1.00 0.00 C ATOM 812 OD1 ASP A 140 68.943 0.537 -3.553 1.00 0.00 O ATOM 813 OD2 ASP A 140 67.486 0.685 -5.132 1.00 0.00 O ATOM 0 H ASP A 140 66.798 -3.134 -2.839 1.00 0.00 H new ATOM 0 HA ASP A 140 68.834 -1.238 -2.229 1.00 0.00 H new ATOM 0 HB2 ASP A 140 66.776 -1.632 -4.051 1.00 0.00 H new ATOM 0 HB3 ASP A 140 66.070 -0.365 -3.067 1.00 0.00 H new ATOM 818 N SER A 141 66.387 -1.113 -0.146 1.00 0.00 N ATOM 819 CA SER A 141 65.939 -0.407 1.090 1.00 0.00 C ATOM 820 C SER A 141 66.547 -1.064 2.330 1.00 0.00 C ATOM 821 O SER A 141 67.293 -0.450 3.067 1.00 0.00 O ATOM 822 CB SER A 141 64.419 -0.551 1.106 1.00 0.00 C ATOM 823 OG SER A 141 63.846 0.604 1.703 1.00 0.00 O ATOM 0 H SER A 141 65.907 -1.991 -0.345 1.00 0.00 H new ATOM 0 HA SER A 141 66.251 0.637 1.097 1.00 0.00 H new ATOM 0 HB2 SER A 141 64.043 -0.675 0.090 1.00 0.00 H new ATOM 0 HB3 SER A 141 64.132 -1.443 1.663 1.00 0.00 H new ATOM 0 HG SER A 141 62.995 0.812 1.263 1.00 0.00 H new ATOM 829 N ASP A 142 66.227 -2.306 2.566 1.00 0.00 N ATOM 830 CA ASP A 142 66.777 -3.012 3.759 1.00 0.00 C ATOM 831 C ASP A 142 68.306 -2.972 3.748 1.00 0.00 C ATOM 832 O ASP A 142 68.958 -3.923 3.362 1.00 0.00 O ATOM 833 CB ASP A 142 66.280 -4.452 3.627 1.00 0.00 C ATOM 834 CG ASP A 142 66.767 -5.276 4.821 1.00 0.00 C ATOM 835 OD1 ASP A 142 66.640 -4.798 5.936 1.00 0.00 O ATOM 836 OD2 ASP A 142 67.256 -6.371 4.600 1.00 0.00 O ATOM 0 H ASP A 142 65.606 -2.865 1.982 1.00 0.00 H new ATOM 0 HA ASP A 142 66.457 -2.550 4.693 1.00 0.00 H new ATOM 0 HB2 ASP A 142 65.191 -4.469 3.581 1.00 0.00 H new ATOM 0 HB3 ASP A 142 66.645 -4.889 2.698 1.00 0.00 H new ATOM 841 N LYS A 143 68.886 -1.886 4.177 1.00 0.00 N ATOM 842 CA LYS A 143 70.374 -1.796 4.198 1.00 0.00 C ATOM 843 C LYS A 143 70.900 -2.306 5.543 1.00 0.00 C ATOM 844 O LYS A 143 71.914 -1.855 6.038 1.00 0.00 O ATOM 845 CB LYS A 143 70.689 -0.310 4.021 1.00 0.00 C ATOM 846 CG LYS A 143 71.538 -0.112 2.763 1.00 0.00 C ATOM 847 CD LYS A 143 72.861 0.561 3.136 1.00 0.00 C ATOM 848 CE LYS A 143 74.022 -0.207 2.498 1.00 0.00 C ATOM 849 NZ LYS A 143 74.714 -0.872 3.638 1.00 0.00 N ATOM 0 H LYS A 143 68.395 -1.057 4.514 1.00 0.00 H new ATOM 0 HA LYS A 143 70.841 -2.398 3.419 1.00 0.00 H new ATOM 0 HB2 LYS A 143 69.764 0.261 3.942 1.00 0.00 H new ATOM 0 HB3 LYS A 143 71.222 0.066 4.895 1.00 0.00 H new ATOM 0 HG2 LYS A 143 71.729 -1.073 2.286 1.00 0.00 H new ATOM 0 HG3 LYS A 143 70.998 0.500 2.041 1.00 0.00 H new ATOM 0 HD2 LYS A 143 72.864 1.596 2.794 1.00 0.00 H new ATOM 0 HD3 LYS A 143 72.977 0.583 4.220 1.00 0.00 H new ATOM 0 HE2 LYS A 143 73.662 -0.938 1.774 1.00 0.00 H new ATOM 0 HE3 LYS A 143 74.695 0.465 1.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 143 75.523 -1.419 3.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 143 75.052 -0.151 4.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 143 74.051 -1.510 4.122 1.00 0.00 H new ATOM 863 N ASN A 144 70.212 -3.244 6.135 1.00 0.00 N ATOM 864 CA ASN A 144 70.661 -3.789 7.448 1.00 0.00 C ATOM 865 C ASN A 144 70.247 -5.259 7.570 1.00 0.00 C ATOM 866 O ASN A 144 70.216 -5.818 8.649 1.00 0.00 O ATOM 867 CB ASN A 144 69.941 -2.941 8.500 1.00 0.00 C ATOM 868 CG ASN A 144 69.979 -1.467 8.092 1.00 0.00 C ATOM 869 OD1 ASN A 144 70.969 -0.792 8.299 1.00 0.00 O ATOM 870 ND2 ASN A 144 68.936 -0.935 7.516 1.00 0.00 N ATOM 0 H ASN A 144 69.356 -3.657 5.765 1.00 0.00 H new ATOM 0 HA ASN A 144 71.744 -3.747 7.566 1.00 0.00 H new ATOM 0 HB2 ASN A 144 68.908 -3.273 8.603 1.00 0.00 H new ATOM 0 HB3 ASN A 144 70.416 -3.071 9.472 1.00 0.00 H new ATOM 0 HD21 ASN A 144 68.951 0.047 7.240 1.00 0.00 H new ATOM 0 HD22 ASN A 144 68.105 -1.501 7.342 1.00 0.00 H new ATOM 877 N ASN A 145 69.928 -5.887 6.471 1.00 0.00 N ATOM 878 CA ASN A 145 69.515 -7.318 6.519 1.00 0.00 C ATOM 879 C ASN A 145 68.342 -7.499 7.486 1.00 0.00 C ATOM 880 O ASN A 145 68.093 -8.580 7.980 1.00 0.00 O ATOM 881 CB ASN A 145 70.746 -8.067 7.021 1.00 0.00 C ATOM 882 CG ASN A 145 71.410 -8.800 5.854 1.00 0.00 C ATOM 883 OD1 ASN A 145 70.751 -9.495 5.105 1.00 0.00 O ATOM 884 ND2 ASN A 145 72.695 -8.674 5.665 1.00 0.00 N ATOM 0 H ASN A 145 69.936 -5.470 5.540 1.00 0.00 H new ATOM 0 HA ASN A 145 69.183 -7.685 5.548 1.00 0.00 H new ATOM 0 HB2 ASN A 145 71.450 -7.369 7.473 1.00 0.00 H new ATOM 0 HB3 ASN A 145 70.461 -8.779 7.796 1.00 0.00 H new ATOM 0 HD21 ASN A 145 73.146 -9.158 4.889 1.00 0.00 H new ATOM 0 HD22 ASN A 145 73.248 -8.091 6.293 1.00 0.00 H new ATOM 891 N ASP A 146 67.619 -6.448 7.755 1.00 0.00 N ATOM 892 CA ASP A 146 66.458 -6.556 8.685 1.00 0.00 C ATOM 893 C ASP A 146 65.212 -7.010 7.914 1.00 0.00 C ATOM 894 O ASP A 146 64.129 -7.088 8.459 1.00 0.00 O ATOM 895 CB ASP A 146 66.274 -5.143 9.246 1.00 0.00 C ATOM 896 CG ASP A 146 64.845 -4.965 9.763 1.00 0.00 C ATOM 897 OD1 ASP A 146 64.405 -5.804 10.531 1.00 0.00 O ATOM 898 OD2 ASP A 146 64.213 -3.993 9.380 1.00 0.00 O ATOM 0 H ASP A 146 67.781 -5.517 7.371 1.00 0.00 H new ATOM 0 HA ASP A 146 66.619 -7.286 9.478 1.00 0.00 H new ATOM 0 HB2 ASP A 146 66.985 -4.968 10.053 1.00 0.00 H new ATOM 0 HB3 ASP A 146 66.483 -4.405 8.471 1.00 0.00 H new ATOM 903 N GLY A 147 65.363 -7.311 6.651 1.00 0.00 N ATOM 904 CA GLY A 147 64.194 -7.759 5.839 1.00 0.00 C ATOM 905 C GLY A 147 62.968 -6.910 6.181 1.00 0.00 C ATOM 906 O GLY A 147 61.862 -7.405 6.260 1.00 0.00 O ATOM 0 H GLY A 147 66.248 -7.266 6.146 1.00 0.00 H new ATOM 0 HA2 GLY A 147 64.423 -7.672 4.777 1.00 0.00 H new ATOM 0 HA3 GLY A 147 63.985 -8.811 6.035 1.00 0.00 H new ATOM 910 N ARG A 148 63.153 -5.634 6.387 1.00 0.00 N ATOM 911 CA ARG A 148 61.994 -4.761 6.727 1.00 0.00 C ATOM 912 C ARG A 148 62.315 -3.299 6.400 1.00 0.00 C ATOM 913 O ARG A 148 63.292 -2.750 6.869 1.00 0.00 O ATOM 914 CB ARG A 148 61.794 -4.941 8.232 1.00 0.00 C ATOM 915 CG ARG A 148 60.522 -5.750 8.486 1.00 0.00 C ATOM 916 CD ARG A 148 60.408 -6.067 9.977 1.00 0.00 C ATOM 917 NE ARG A 148 58.974 -6.403 10.189 1.00 0.00 N ATOM 918 CZ ARG A 148 58.544 -6.699 11.385 1.00 0.00 C ATOM 919 NH1 ARG A 148 59.395 -7.012 12.324 1.00 0.00 N ATOM 920 NH2 ARG A 148 57.265 -6.682 11.642 1.00 0.00 N ATOM 0 H ARG A 148 64.054 -5.160 6.335 1.00 0.00 H new ATOM 0 HA ARG A 148 61.100 -5.023 6.161 1.00 0.00 H new ATOM 0 HB2 ARG A 148 62.654 -5.451 8.665 1.00 0.00 H new ATOM 0 HB3 ARG A 148 61.722 -3.968 8.719 1.00 0.00 H new ATOM 0 HG2 ARG A 148 59.649 -5.188 8.155 1.00 0.00 H new ATOM 0 HG3 ARG A 148 60.544 -6.674 7.908 1.00 0.00 H new ATOM 0 HD2 ARG A 148 61.054 -6.900 10.254 1.00 0.00 H new ATOM 0 HD3 ARG A 148 60.708 -5.214 10.586 1.00 0.00 H new ATOM 0 HE ARG A 148 58.328 -6.402 9.400 1.00 0.00 H new ATOM 0 HH11 ARG A 148 60.395 -7.025 12.123 1.00 0.00 H new ATOM 0 HH12 ARG A 148 59.060 -7.244 13.259 1.00 0.00 H new ATOM 0 HH21 ARG A 148 56.601 -6.437 10.908 1.00 0.00 H new ATOM 0 HH22 ARG A 148 56.930 -6.913 12.577 1.00 0.00 H new ATOM 934 N ILE A 149 61.498 -2.663 5.603 1.00 0.00 N ATOM 935 CA ILE A 149 61.758 -1.236 5.255 1.00 0.00 C ATOM 936 C ILE A 149 61.201 -0.324 6.351 1.00 0.00 C ATOM 937 O ILE A 149 60.005 -0.151 6.479 1.00 0.00 O ATOM 938 CB ILE A 149 61.015 -1.009 3.936 1.00 0.00 C ATOM 939 CG1 ILE A 149 61.825 -1.607 2.782 1.00 0.00 C ATOM 940 CG2 ILE A 149 60.833 0.492 3.698 1.00 0.00 C ATOM 941 CD1 ILE A 149 60.877 -2.004 1.649 1.00 0.00 C ATOM 0 H ILE A 149 60.664 -3.069 5.179 1.00 0.00 H new ATOM 0 HA ILE A 149 62.821 -1.015 5.164 1.00 0.00 H new ATOM 0 HB ILE A 149 60.039 -1.491 3.988 1.00 0.00 H new ATOM 0 HG12 ILE A 149 62.556 -0.883 2.423 1.00 0.00 H new ATOM 0 HG13 ILE A 149 62.382 -2.478 3.127 1.00 0.00 H new ATOM 0 HG21 ILE A 149 60.304 0.650 2.758 1.00 0.00 H new ATOM 0 HG22 ILE A 149 60.256 0.923 4.516 1.00 0.00 H new ATOM 0 HG23 ILE A 149 61.810 0.974 3.650 1.00 0.00 H new ATOM 0 HD11 ILE A 149 61.451 -2.430 0.826 1.00 0.00 H new ATOM 0 HD12 ILE A 149 60.163 -2.743 2.014 1.00 0.00 H new ATOM 0 HD13 ILE A 149 60.340 -1.123 1.298 1.00 0.00 H new ATOM 953 N ASP A 150 62.056 0.259 7.146 1.00 0.00 N ATOM 954 CA ASP A 150 61.569 1.154 8.234 1.00 0.00 C ATOM 955 C ASP A 150 61.713 2.623 7.821 1.00 0.00 C ATOM 956 O ASP A 150 61.472 2.986 6.687 1.00 0.00 O ATOM 957 CB ASP A 150 62.459 0.840 9.437 1.00 0.00 C ATOM 958 CG ASP A 150 63.883 1.324 9.163 1.00 0.00 C ATOM 959 OD1 ASP A 150 64.142 1.737 8.044 1.00 0.00 O ATOM 960 OD2 ASP A 150 64.691 1.272 10.075 1.00 0.00 O ATOM 0 H ASP A 150 63.069 0.155 7.090 1.00 0.00 H new ATOM 0 HA ASP A 150 60.514 0.993 8.458 1.00 0.00 H new ATOM 0 HB2 ASP A 150 62.065 1.325 10.330 1.00 0.00 H new ATOM 0 HB3 ASP A 150 62.460 -0.233 9.631 1.00 0.00 H new ATOM 965 N PHE A 151 62.095 3.472 8.735 1.00 0.00 N ATOM 966 CA PHE A 151 62.246 4.918 8.398 1.00 0.00 C ATOM 967 C PHE A 151 63.537 5.159 7.609 1.00 0.00 C ATOM 968 O PHE A 151 63.513 5.612 6.483 1.00 0.00 O ATOM 969 CB PHE A 151 62.306 5.629 9.749 1.00 0.00 C ATOM 970 CG PHE A 151 60.951 6.210 10.076 1.00 0.00 C ATOM 971 CD1 PHE A 151 60.466 7.302 9.348 1.00 0.00 C ATOM 972 CD2 PHE A 151 60.183 5.657 11.106 1.00 0.00 C ATOM 973 CE1 PHE A 151 59.211 7.841 9.650 1.00 0.00 C ATOM 974 CE2 PHE A 151 58.926 6.196 11.409 1.00 0.00 C ATOM 975 CZ PHE A 151 58.440 7.288 10.680 1.00 0.00 C ATOM 0 H PHE A 151 62.310 3.228 9.702 1.00 0.00 H new ATOM 0 HA PHE A 151 61.428 5.281 7.775 1.00 0.00 H new ATOM 0 HB2 PHE A 151 62.610 4.928 10.527 1.00 0.00 H new ATOM 0 HB3 PHE A 151 63.055 6.420 9.722 1.00 0.00 H new ATOM 0 HD1 PHE A 151 61.060 7.728 8.553 1.00 0.00 H new ATOM 0 HD2 PHE A 151 60.559 4.815 11.668 1.00 0.00 H new ATOM 0 HE1 PHE A 151 58.836 8.684 9.089 1.00 0.00 H new ATOM 0 HE2 PHE A 151 58.332 5.770 12.204 1.00 0.00 H new ATOM 0 HZ PHE A 151 57.471 7.704 10.912 1.00 0.00 H new ATOM 985 N ASP A 152 64.665 4.867 8.197 1.00 0.00 N ATOM 986 CA ASP A 152 65.957 5.089 7.484 1.00 0.00 C ATOM 987 C ASP A 152 65.918 4.462 6.088 1.00 0.00 C ATOM 988 O ASP A 152 66.148 5.123 5.094 1.00 0.00 O ATOM 989 CB ASP A 152 67.011 4.401 8.351 1.00 0.00 C ATOM 990 CG ASP A 152 67.979 5.447 8.904 1.00 0.00 C ATOM 991 OD1 ASP A 152 67.556 6.578 9.089 1.00 0.00 O ATOM 992 OD2 ASP A 152 69.126 5.104 9.134 1.00 0.00 O ATOM 0 H ASP A 152 64.749 4.485 9.139 1.00 0.00 H new ATOM 0 HA ASP A 152 66.169 6.149 7.344 1.00 0.00 H new ATOM 0 HB2 ASP A 152 66.530 3.866 9.170 1.00 0.00 H new ATOM 0 HB3 ASP A 152 67.555 3.662 7.763 1.00 0.00 H new ATOM 997 N GLU A 153 65.638 3.191 6.005 1.00 0.00 N ATOM 998 CA GLU A 153 65.593 2.523 4.673 1.00 0.00 C ATOM 999 C GLU A 153 64.526 3.165 3.782 1.00 0.00 C ATOM 1000 O GLU A 153 64.796 3.572 2.670 1.00 0.00 O ATOM 1001 CB GLU A 153 65.235 1.067 4.971 1.00 0.00 C ATOM 1002 CG GLU A 153 66.289 0.460 5.899 1.00 0.00 C ATOM 1003 CD GLU A 153 65.595 -0.344 6.999 1.00 0.00 C ATOM 1004 OE1 GLU A 153 64.430 -0.659 6.831 1.00 0.00 O ATOM 1005 OE2 GLU A 153 66.243 -0.632 7.993 1.00 0.00 O ATOM 0 H GLU A 153 65.438 2.586 6.801 1.00 0.00 H new ATOM 0 HA GLU A 153 66.540 2.612 4.141 1.00 0.00 H new ATOM 0 HB2 GLU A 153 64.251 1.012 5.436 1.00 0.00 H new ATOM 0 HB3 GLU A 153 65.181 0.498 4.043 1.00 0.00 H new ATOM 0 HG2 GLU A 153 66.961 -0.184 5.332 1.00 0.00 H new ATOM 0 HG3 GLU A 153 66.899 1.249 6.340 1.00 0.00 H new ATOM 1012 N PHE A 154 63.315 3.255 4.258 1.00 0.00 N ATOM 1013 CA PHE A 154 62.234 3.866 3.431 1.00 0.00 C ATOM 1014 C PHE A 154 62.738 5.142 2.750 1.00 0.00 C ATOM 1015 O PHE A 154 62.568 5.330 1.562 1.00 0.00 O ATOM 1016 CB PHE A 154 61.112 4.191 4.417 1.00 0.00 C ATOM 1017 CG PHE A 154 60.116 5.112 3.753 1.00 0.00 C ATOM 1018 CD1 PHE A 154 59.269 4.620 2.753 1.00 0.00 C ATOM 1019 CD2 PHE A 154 60.045 6.457 4.133 1.00 0.00 C ATOM 1020 CE1 PHE A 154 58.350 5.473 2.134 1.00 0.00 C ATOM 1021 CE2 PHE A 154 59.127 7.311 3.513 1.00 0.00 C ATOM 1022 CZ PHE A 154 58.279 6.820 2.513 1.00 0.00 C ATOM 0 H PHE A 154 63.026 2.933 5.182 1.00 0.00 H new ATOM 0 HA PHE A 154 61.898 3.198 2.638 1.00 0.00 H new ATOM 0 HB2 PHE A 154 60.618 3.274 4.739 1.00 0.00 H new ATOM 0 HB3 PHE A 154 61.522 4.663 5.310 1.00 0.00 H new ATOM 0 HD1 PHE A 154 59.325 3.582 2.460 1.00 0.00 H new ATOM 0 HD2 PHE A 154 60.699 6.835 4.905 1.00 0.00 H new ATOM 0 HE1 PHE A 154 57.695 5.094 1.364 1.00 0.00 H new ATOM 0 HE2 PHE A 154 59.072 8.349 3.806 1.00 0.00 H new ATOM 0 HZ PHE A 154 57.570 7.479 2.034 1.00 0.00 H new ATOM 1032 N LEU A 155 63.352 6.021 3.494 1.00 0.00 N ATOM 1033 CA LEU A 155 63.861 7.285 2.887 1.00 0.00 C ATOM 1034 C LEU A 155 64.963 6.977 1.871 1.00 0.00 C ATOM 1035 O LEU A 155 65.071 7.619 0.845 1.00 0.00 O ATOM 1036 CB LEU A 155 64.415 8.092 4.061 1.00 0.00 C ATOM 1037 CG LEU A 155 63.299 8.331 5.080 1.00 0.00 C ATOM 1038 CD1 LEU A 155 63.903 8.829 6.393 1.00 0.00 C ATOM 1039 CD2 LEU A 155 62.329 9.383 4.534 1.00 0.00 C ATOM 0 H LEU A 155 63.523 5.919 4.494 1.00 0.00 H new ATOM 0 HA LEU A 155 63.084 7.831 2.351 1.00 0.00 H new ATOM 0 HB2 LEU A 155 65.241 7.556 4.528 1.00 0.00 H new ATOM 0 HB3 LEU A 155 64.811 9.044 3.708 1.00 0.00 H new ATOM 0 HG LEU A 155 62.764 7.398 5.258 1.00 0.00 H new ATOM 0 HD11 LEU A 155 63.107 8.999 7.118 1.00 0.00 H new ATOM 0 HD12 LEU A 155 64.595 8.082 6.782 1.00 0.00 H new ATOM 0 HD13 LEU A 155 64.438 9.762 6.216 1.00 0.00 H new ATOM 0 HD21 LEU A 155 61.533 9.555 5.259 1.00 0.00 H new ATOM 0 HD22 LEU A 155 62.865 10.315 4.356 1.00 0.00 H new ATOM 0 HD23 LEU A 155 61.897 9.029 3.598 1.00 0.00 H new ATOM 1051 N LYS A 156 65.780 5.996 2.144 1.00 0.00 N ATOM 1052 CA LYS A 156 66.869 5.649 1.186 1.00 0.00 C ATOM 1053 C LYS A 156 66.270 5.053 -0.089 1.00 0.00 C ATOM 1054 O LYS A 156 66.629 5.422 -1.190 1.00 0.00 O ATOM 1055 CB LYS A 156 67.723 4.610 1.913 1.00 0.00 C ATOM 1056 CG LYS A 156 69.190 4.787 1.518 1.00 0.00 C ATOM 1057 CD LYS A 156 69.956 5.431 2.675 1.00 0.00 C ATOM 1058 CE LYS A 156 71.209 4.607 2.977 1.00 0.00 C ATOM 1059 NZ LYS A 156 72.346 5.532 2.716 1.00 0.00 N ATOM 0 H LYS A 156 65.741 5.421 2.986 1.00 0.00 H new ATOM 0 HA LYS A 156 67.455 6.519 0.890 1.00 0.00 H new ATOM 0 HB2 LYS A 156 67.610 4.721 2.991 1.00 0.00 H new ATOM 0 HB3 LYS A 156 67.386 3.605 1.659 1.00 0.00 H new ATOM 0 HG2 LYS A 156 69.630 3.821 1.270 1.00 0.00 H new ATOM 0 HG3 LYS A 156 69.265 5.410 0.627 1.00 0.00 H new ATOM 0 HD2 LYS A 156 70.233 6.453 2.418 1.00 0.00 H new ATOM 0 HD3 LYS A 156 69.322 5.486 3.560 1.00 0.00 H new ATOM 0 HE2 LYS A 156 71.213 4.257 4.009 1.00 0.00 H new ATOM 0 HE3 LYS A 156 71.264 3.724 2.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 156 73.243 5.040 2.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 156 72.320 5.843 1.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 156 72.270 6.360 3.341 1.00 0.00 H new ATOM 1073 N MET A 157 65.351 4.137 0.054 1.00 0.00 N ATOM 1074 CA MET A 157 64.719 3.517 -1.145 1.00 0.00 C ATOM 1075 C MET A 157 64.007 4.599 -1.964 1.00 0.00 C ATOM 1076 O MET A 157 64.083 4.629 -3.177 1.00 0.00 O ATOM 1077 CB MET A 157 63.736 2.482 -0.563 1.00 0.00 C ATOM 1078 CG MET A 157 62.280 2.957 -0.679 1.00 0.00 C ATOM 1079 SD MET A 157 61.203 1.815 0.222 1.00 0.00 S ATOM 1080 CE MET A 157 60.881 0.676 -1.146 1.00 0.00 C ATOM 0 H MET A 157 65.010 3.791 0.951 1.00 0.00 H new ATOM 0 HA MET A 157 65.430 3.045 -1.823 1.00 0.00 H new ATOM 0 HB2 MET A 157 63.853 1.534 -1.087 1.00 0.00 H new ATOM 0 HB3 MET A 157 63.977 2.299 0.484 1.00 0.00 H new ATOM 0 HG2 MET A 157 62.181 3.964 -0.274 1.00 0.00 H new ATOM 0 HG3 MET A 157 61.983 3.004 -1.727 1.00 0.00 H new ATOM 0 HE1 MET A 157 60.282 -0.162 -0.789 1.00 0.00 H new ATOM 0 HE2 MET A 157 60.340 1.199 -1.935 1.00 0.00 H new ATOM 0 HE3 MET A 157 61.827 0.304 -1.540 1.00 0.00 H new ATOM 1090 N MET A 158 63.323 5.486 -1.301 1.00 0.00 N ATOM 1091 CA MET A 158 62.605 6.575 -2.022 1.00 0.00 C ATOM 1092 C MET A 158 63.304 7.915 -1.779 1.00 0.00 C ATOM 1093 O MET A 158 62.669 8.926 -1.551 1.00 0.00 O ATOM 1094 CB MET A 158 61.198 6.586 -1.422 1.00 0.00 C ATOM 1095 CG MET A 158 60.163 6.460 -2.540 1.00 0.00 C ATOM 1096 SD MET A 158 59.964 4.717 -2.985 1.00 0.00 S ATOM 1097 CE MET A 158 60.275 4.900 -4.758 1.00 0.00 C ATOM 0 H MET A 158 63.229 5.505 -0.286 1.00 0.00 H new ATOM 0 HA MET A 158 62.586 6.417 -3.100 1.00 0.00 H new ATOM 0 HB2 MET A 158 61.087 5.764 -0.715 1.00 0.00 H new ATOM 0 HB3 MET A 158 61.036 7.509 -0.865 1.00 0.00 H new ATOM 0 HG2 MET A 158 59.209 6.875 -2.215 1.00 0.00 H new ATOM 0 HG3 MET A 158 60.480 7.035 -3.410 1.00 0.00 H new ATOM 0 HE1 MET A 158 60.201 3.926 -5.243 1.00 0.00 H new ATOM 0 HE2 MET A 158 59.537 5.577 -5.189 1.00 0.00 H new ATOM 0 HE3 MET A 158 61.274 5.307 -4.912 1.00 0.00 H new