USER MOD reduce.3.24.130724 H: found=0, std=0, add=461, rem=0, adj=3 USER MOD reduce.3.24.130724 removed 462 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 238 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 240 GLN : amide:sc= -4.34! C(o=-4.3!,f=-13!) USER MOD Single : A 242 GLN : amide:sc= 0 X(o=0,f=0.062) USER MOD Single : A 243 ASN : amide:sc= -0.681 K(o=-0.68,f=-3.2!) USER MOD Single : A 244 MET CE :methyl 150:sc= -6.43! (180deg=-7.8!) USER MOD Single : A 246 GLN : amide:sc= -0.557 X(o=-0.56,f=-0.14) USER MOD Single : A 249 GLN : amide:sc= -5.24! C(o=-5.2!,f=-8.6!) USER MOD Single : A 250 GLN : amide:sc= -0.6 K(o=-0.6,f=-1.5) USER MOD Single : A 251 ASN : amide:sc= -0.0359 K(o=-0.036,f=-2.4) USER MOD Single : A 260 GLN : amide:sc= -3.61! C(o=-3.6!,f=-11!) USER MOD Single : A 261 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 264 GLN : amide:sc= -1.15 K(o=-1.2,f=-5.5!) USER MOD Single : A 266 ASN : amide:sc= -0.226 K(o=-0.23,f=-1.8!) USER MOD Single : A 268 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 271 GLN : amide:sc= -0.0194 X(o=-0.019,f=-0.41) USER MOD Single : A 272 GLN : amide:sc= -0.592 K(o=-0.59,f=-3.5!) USER MOD Single : A 274 SER OG : rot 180:sc= 0 USER MOD Single : A 276 HIS : no HD1:sc= -12! C(o=-12!,f=-14!) USER MOD Single : A 277 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 279 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 282 GLN : amide:sc= -0.868 X(o=-0.87,f=-0.61) USER MOD Single : A 283 MET CE :methyl -144:sc= -11.7! (180deg=-16.7!) USER MOD Single : A 285 ASN : amide:sc= -0.0554 X(o=-0.055,f=-0.43) USER MOD ----------------------------------------------------------------- ATOM 29 N LEU A 232 -0.718 -2.807 -13.802 1.00 0.00 N ATOM 30 CA LEU A 232 0.151 -2.647 -12.644 1.00 0.00 C ATOM 31 C LEU A 232 1.547 -2.209 -13.070 1.00 0.00 C ATOM 32 O LEU A 232 2.181 -1.388 -12.406 1.00 0.00 O ATOM 33 CB LEU A 232 0.234 -3.957 -11.857 1.00 0.00 C ATOM 34 CG LEU A 232 -0.155 -3.850 -10.380 1.00 0.00 C ATOM 35 CD1 LEU A 232 1.025 -3.372 -9.551 1.00 0.00 C ATOM 36 CD2 LEU A 232 -1.343 -2.916 -10.209 1.00 0.00 C ATOM 0 HA LEU A 232 -0.275 -1.874 -12.005 1.00 0.00 H new ATOM 0 HB2 LEU A 232 -0.413 -4.692 -12.335 1.00 0.00 H new ATOM 0 HB3 LEU A 232 1.253 -4.339 -11.922 1.00 0.00 H new ATOM 0 HG LEU A 232 -0.443 -4.840 -10.027 1.00 0.00 H new ATOM 0 HD11 LEU A 232 0.730 -3.302 -8.504 1.00 0.00 H new ATOM 0 HD12 LEU A 232 1.849 -4.079 -9.649 1.00 0.00 H new ATOM 0 HD13 LEU A 232 1.344 -2.392 -9.904 1.00 0.00 H new ATOM 0 HD21 LEU A 232 -1.606 -2.852 -9.153 1.00 0.00 H new ATOM 0 HD22 LEU A 232 -1.083 -1.924 -10.579 1.00 0.00 H new ATOM 0 HD23 LEU A 232 -2.193 -3.302 -10.772 1.00 0.00 H new ATOM 48 N GLU A 233 2.021 -2.757 -14.186 1.00 0.00 N ATOM 49 CA GLU A 233 3.338 -2.414 -14.704 1.00 0.00 C ATOM 50 C GLU A 233 3.641 -0.939 -14.481 1.00 0.00 C ATOM 51 O GLU A 233 4.657 -0.587 -13.879 1.00 0.00 O ATOM 52 CB GLU A 233 3.424 -2.744 -16.195 1.00 0.00 C ATOM 53 CG GLU A 233 3.157 -4.207 -16.511 1.00 0.00 C ATOM 54 CD GLU A 233 4.371 -5.085 -16.277 1.00 0.00 C ATOM 55 OE1 GLU A 233 5.236 -4.698 -15.463 1.00 0.00 O ATOM 56 OE2 GLU A 233 4.458 -6.159 -16.908 1.00 0.00 O ATOM 0 H GLU A 233 1.511 -3.440 -14.747 1.00 0.00 H new ATOM 0 HA GLU A 233 4.079 -3.005 -14.165 1.00 0.00 H new ATOM 0 HB2 GLU A 233 2.707 -2.127 -16.737 1.00 0.00 H new ATOM 0 HB3 GLU A 233 4.415 -2.477 -16.561 1.00 0.00 H new ATOM 0 HG2 GLU A 233 2.331 -4.563 -15.895 1.00 0.00 H new ATOM 0 HG3 GLU A 233 2.842 -4.299 -17.550 1.00 0.00 H new ATOM 63 N PHE A 234 2.745 -0.079 -14.953 1.00 0.00 N ATOM 64 CA PHE A 234 2.907 1.359 -14.788 1.00 0.00 C ATOM 65 C PHE A 234 2.726 1.760 -13.330 1.00 0.00 C ATOM 66 O PHE A 234 3.414 2.649 -12.829 1.00 0.00 O ATOM 67 CB PHE A 234 1.903 2.110 -15.666 1.00 0.00 C ATOM 68 CG PHE A 234 0.566 2.306 -15.015 1.00 0.00 C ATOM 69 CD1 PHE A 234 0.410 3.220 -13.977 1.00 0.00 C ATOM 70 CD2 PHE A 234 -0.541 1.574 -15.433 1.00 0.00 C ATOM 71 CE1 PHE A 234 -0.822 3.399 -13.373 1.00 0.00 C ATOM 72 CE2 PHE A 234 -1.775 1.752 -14.830 1.00 0.00 C ATOM 73 CZ PHE A 234 -1.915 2.665 -13.799 1.00 0.00 C ATOM 0 H PHE A 234 1.899 -0.354 -15.453 1.00 0.00 H new ATOM 0 HA PHE A 234 3.918 1.625 -15.097 1.00 0.00 H new ATOM 0 HB2 PHE A 234 2.318 3.084 -15.926 1.00 0.00 H new ATOM 0 HB3 PHE A 234 1.767 1.562 -16.598 1.00 0.00 H new ATOM 0 HD1 PHE A 234 1.259 3.795 -13.639 1.00 0.00 H new ATOM 0 HD2 PHE A 234 -0.437 0.859 -16.236 1.00 0.00 H new ATOM 0 HE1 PHE A 234 -0.931 4.112 -12.569 1.00 0.00 H new ATOM 0 HE2 PHE A 234 -2.627 1.179 -15.164 1.00 0.00 H new ATOM 0 HZ PHE A 234 -2.877 2.804 -13.327 1.00 0.00 H new ATOM 83 N LEU A 235 1.802 1.089 -12.648 1.00 0.00 N ATOM 84 CA LEU A 235 1.539 1.366 -11.243 1.00 0.00 C ATOM 85 C LEU A 235 2.796 1.161 -10.404 1.00 0.00 C ATOM 86 O LEU A 235 3.142 1.998 -9.570 1.00 0.00 O ATOM 87 CB LEU A 235 0.415 0.463 -10.726 1.00 0.00 C ATOM 88 CG LEU A 235 -0.260 0.941 -9.438 1.00 0.00 C ATOM 89 CD1 LEU A 235 0.728 0.930 -8.283 1.00 0.00 C ATOM 90 CD2 LEU A 235 -0.848 2.331 -9.628 1.00 0.00 C ATOM 0 H LEU A 235 1.224 0.350 -13.047 1.00 0.00 H new ATOM 0 HA LEU A 235 1.230 2.408 -11.155 1.00 0.00 H new ATOM 0 HB2 LEU A 235 -0.344 0.372 -11.503 1.00 0.00 H new ATOM 0 HB3 LEU A 235 0.820 -0.535 -10.557 1.00 0.00 H new ATOM 0 HG LEU A 235 -1.073 0.255 -9.200 1.00 0.00 H new ATOM 0 HD11 LEU A 235 0.231 1.273 -7.376 1.00 0.00 H new ATOM 0 HD12 LEU A 235 1.100 -0.083 -8.132 1.00 0.00 H new ATOM 0 HD13 LEU A 235 1.563 1.593 -8.512 1.00 0.00 H new ATOM 0 HD21 LEU A 235 -1.324 2.654 -8.702 1.00 0.00 H new ATOM 0 HD22 LEU A 235 -0.053 3.029 -9.891 1.00 0.00 H new ATOM 0 HD23 LEU A 235 -1.589 2.307 -10.427 1.00 0.00 H new ATOM 102 N ARG A 236 3.482 0.046 -10.639 1.00 0.00 N ATOM 103 CA ARG A 236 4.707 -0.264 -9.912 1.00 0.00 C ATOM 104 C ARG A 236 5.832 0.683 -10.313 1.00 0.00 C ATOM 105 O ARG A 236 6.691 1.022 -9.500 1.00 0.00 O ATOM 106 CB ARG A 236 5.127 -1.713 -10.175 1.00 0.00 C ATOM 107 CG ARG A 236 4.092 -2.736 -9.737 1.00 0.00 C ATOM 108 CD ARG A 236 3.987 -3.884 -10.730 1.00 0.00 C ATOM 109 NE ARG A 236 5.295 -4.289 -11.238 1.00 0.00 N ATOM 110 CZ ARG A 236 5.466 -5.221 -12.169 1.00 0.00 C ATOM 111 NH1 ARG A 236 4.416 -5.842 -12.689 1.00 0.00 N ATOM 112 NH2 ARG A 236 6.686 -5.534 -12.581 1.00 0.00 N ATOM 0 H ARG A 236 3.210 -0.657 -11.327 1.00 0.00 H new ATOM 0 HA ARG A 236 4.511 -0.136 -8.847 1.00 0.00 H new ATOM 0 HB2 ARG A 236 5.321 -1.838 -11.240 1.00 0.00 H new ATOM 0 HB3 ARG A 236 6.064 -1.911 -9.655 1.00 0.00 H new ATOM 0 HG2 ARG A 236 4.358 -3.127 -8.755 1.00 0.00 H new ATOM 0 HG3 ARG A 236 3.121 -2.252 -9.635 1.00 0.00 H new ATOM 0 HD2 ARG A 236 3.505 -4.736 -10.250 1.00 0.00 H new ATOM 0 HD3 ARG A 236 3.351 -3.586 -11.563 1.00 0.00 H new ATOM 0 HE ARG A 236 6.123 -3.831 -10.857 1.00 0.00 H new ATOM 0 HH11 ARG A 236 3.475 -5.604 -12.374 1.00 0.00 H new ATOM 0 HH12 ARG A 236 4.549 -6.557 -13.404 1.00 0.00 H new ATOM 0 HH21 ARG A 236 7.496 -5.059 -12.183 1.00 0.00 H new ATOM 0 HH22 ARG A 236 6.815 -6.250 -13.296 1.00 0.00 H new ATOM 126 N ASP A 237 5.825 1.102 -11.575 1.00 0.00 N ATOM 127 CA ASP A 237 6.849 2.006 -12.087 1.00 0.00 C ATOM 128 C ASP A 237 6.580 3.442 -11.644 1.00 0.00 C ATOM 129 O ASP A 237 7.475 4.127 -11.148 1.00 0.00 O ATOM 130 CB ASP A 237 6.904 1.934 -13.614 1.00 0.00 C ATOM 131 CG ASP A 237 7.982 2.826 -14.197 1.00 0.00 C ATOM 132 OD1 ASP A 237 7.976 4.039 -13.897 1.00 0.00 O ATOM 133 OD2 ASP A 237 8.833 2.313 -14.954 1.00 0.00 O ATOM 0 H ASP A 237 5.122 0.830 -12.262 1.00 0.00 H new ATOM 0 HA ASP A 237 7.810 1.693 -11.679 1.00 0.00 H new ATOM 0 HB2 ASP A 237 7.084 0.903 -13.920 1.00 0.00 H new ATOM 0 HB3 ASP A 237 5.936 2.223 -14.024 1.00 0.00 H new ATOM 138 N GLN A 238 5.345 3.895 -11.838 1.00 0.00 N ATOM 139 CA GLN A 238 4.963 5.256 -11.469 1.00 0.00 C ATOM 140 C GLN A 238 4.978 5.437 -9.954 1.00 0.00 C ATOM 141 O GLN A 238 4.967 4.464 -9.201 1.00 0.00 O ATOM 142 CB GLN A 238 3.572 5.582 -12.019 1.00 0.00 C ATOM 143 CG GLN A 238 3.565 6.739 -13.004 1.00 0.00 C ATOM 144 CD GLN A 238 3.679 6.278 -14.444 1.00 0.00 C ATOM 145 OE1 GLN A 238 2.724 6.370 -15.216 1.00 0.00 O ATOM 146 NE2 GLN A 238 4.853 5.779 -14.814 1.00 0.00 N ATOM 0 H GLN A 238 4.592 3.342 -12.248 1.00 0.00 H new ATOM 0 HA GLN A 238 5.691 5.941 -11.904 1.00 0.00 H new ATOM 0 HB2 GLN A 238 3.167 4.696 -12.508 1.00 0.00 H new ATOM 0 HB3 GLN A 238 2.908 5.819 -11.188 1.00 0.00 H new ATOM 0 HG2 GLN A 238 2.645 7.311 -12.881 1.00 0.00 H new ATOM 0 HG3 GLN A 238 4.392 7.412 -12.775 1.00 0.00 H new ATOM 0 HE21 GLN A 238 5.618 5.721 -14.141 1.00 0.00 H new ATOM 0 HE22 GLN A 238 4.990 5.453 -15.771 1.00 0.00 H new ATOM 155 N PRO A 239 5.008 6.698 -9.491 1.00 0.00 N ATOM 156 CA PRO A 239 5.031 7.019 -8.057 1.00 0.00 C ATOM 157 C PRO A 239 3.853 6.408 -7.305 1.00 0.00 C ATOM 158 O PRO A 239 3.832 6.393 -6.081 1.00 0.00 O ATOM 159 CB PRO A 239 4.943 8.551 -8.032 1.00 0.00 C ATOM 160 CG PRO A 239 5.444 8.982 -9.363 1.00 0.00 C ATOM 161 CD PRO A 239 5.035 7.906 -10.327 1.00 0.00 C ATOM 0 HA PRO A 239 5.919 6.620 -7.567 1.00 0.00 H new ATOM 0 HB2 PRO A 239 3.919 8.886 -7.868 1.00 0.00 H new ATOM 0 HB3 PRO A 239 5.548 8.969 -7.227 1.00 0.00 H new ATOM 0 HG2 PRO A 239 5.017 9.944 -9.648 1.00 0.00 H new ATOM 0 HG3 PRO A 239 6.527 9.104 -9.351 1.00 0.00 H new ATOM 0 HD2 PRO A 239 4.060 8.111 -10.769 1.00 0.00 H new ATOM 0 HD3 PRO A 239 5.745 7.811 -11.149 1.00 0.00 H new ATOM 169 N GLN A 240 2.873 5.916 -8.047 1.00 0.00 N ATOM 170 CA GLN A 240 1.691 5.319 -7.445 1.00 0.00 C ATOM 171 C GLN A 240 2.066 4.473 -6.231 1.00 0.00 C ATOM 172 O GLN A 240 1.510 4.646 -5.145 1.00 0.00 O ATOM 173 CB GLN A 240 0.951 4.459 -8.470 1.00 0.00 C ATOM 174 CG GLN A 240 -0.090 5.226 -9.270 1.00 0.00 C ATOM 175 CD GLN A 240 0.291 5.377 -10.730 1.00 0.00 C ATOM 176 OE1 GLN A 240 1.009 4.546 -11.285 1.00 0.00 O ATOM 177 NE2 GLN A 240 -0.190 6.443 -11.359 1.00 0.00 N ATOM 0 H GLN A 240 2.873 5.918 -9.067 1.00 0.00 H new ATOM 0 HA GLN A 240 1.036 6.125 -7.115 1.00 0.00 H new ATOM 0 HB2 GLN A 240 1.676 4.023 -9.157 1.00 0.00 H new ATOM 0 HB3 GLN A 240 0.463 3.632 -7.954 1.00 0.00 H new ATOM 0 HG2 GLN A 240 -1.048 4.711 -9.200 1.00 0.00 H new ATOM 0 HG3 GLN A 240 -0.226 6.214 -8.830 1.00 0.00 H new ATOM 0 HE21 GLN A 240 -0.782 7.106 -10.859 1.00 0.00 H new ATOM 0 HE22 GLN A 240 0.032 6.598 -12.342 1.00 0.00 H new ATOM 186 N PHE A 241 3.022 3.567 -6.419 1.00 0.00 N ATOM 187 CA PHE A 241 3.474 2.699 -5.337 1.00 0.00 C ATOM 188 C PHE A 241 4.203 3.502 -4.258 1.00 0.00 C ATOM 189 O PHE A 241 3.850 3.441 -3.079 1.00 0.00 O ATOM 190 CB PHE A 241 4.393 1.607 -5.885 1.00 0.00 C ATOM 191 CG PHE A 241 5.736 2.113 -6.313 1.00 0.00 C ATOM 192 CD1 PHE A 241 5.936 2.579 -7.607 1.00 0.00 C ATOM 193 CD2 PHE A 241 6.802 2.137 -5.421 1.00 0.00 C ATOM 194 CE1 PHE A 241 7.175 3.056 -8.003 1.00 0.00 C ATOM 195 CE2 PHE A 241 8.041 2.615 -5.812 1.00 0.00 C ATOM 196 CZ PHE A 241 8.227 3.074 -7.104 1.00 0.00 C ATOM 0 H PHE A 241 3.497 3.415 -7.309 1.00 0.00 H new ATOM 0 HA PHE A 241 2.597 2.236 -4.886 1.00 0.00 H new ATOM 0 HB2 PHE A 241 4.529 0.841 -5.121 1.00 0.00 H new ATOM 0 HB3 PHE A 241 3.907 1.127 -6.735 1.00 0.00 H new ATOM 0 HD1 PHE A 241 5.117 2.569 -8.311 1.00 0.00 H new ATOM 0 HD2 PHE A 241 6.662 1.779 -4.412 1.00 0.00 H new ATOM 0 HE1 PHE A 241 7.320 3.413 -9.012 1.00 0.00 H new ATOM 0 HE2 PHE A 241 8.861 2.630 -5.110 1.00 0.00 H new ATOM 0 HZ PHE A 241 9.193 3.446 -7.411 1.00 0.00 H new ATOM 206 N GLN A 242 5.214 4.265 -4.673 1.00 0.00 N ATOM 207 CA GLN A 242 5.982 5.088 -3.744 1.00 0.00 C ATOM 208 C GLN A 242 5.097 6.150 -3.105 1.00 0.00 C ATOM 209 O GLN A 242 4.901 6.160 -1.890 1.00 0.00 O ATOM 210 CB GLN A 242 7.154 5.753 -4.469 1.00 0.00 C ATOM 211 CG GLN A 242 8.157 6.404 -3.531 1.00 0.00 C ATOM 212 CD GLN A 242 9.196 5.426 -3.017 1.00 0.00 C ATOM 213 OE1 GLN A 242 9.111 4.950 -1.885 1.00 0.00 O ATOM 214 NE2 GLN A 242 10.183 5.121 -3.850 1.00 0.00 N ATOM 0 H GLN A 242 5.518 4.329 -5.644 1.00 0.00 H new ATOM 0 HA GLN A 242 6.371 4.441 -2.957 1.00 0.00 H new ATOM 0 HB2 GLN A 242 7.667 5.006 -5.075 1.00 0.00 H new ATOM 0 HB3 GLN A 242 6.766 6.507 -5.154 1.00 0.00 H new ATOM 0 HG2 GLN A 242 8.658 7.220 -4.051 1.00 0.00 H new ATOM 0 HG3 GLN A 242 7.627 6.842 -2.686 1.00 0.00 H new ATOM 0 HE21 GLN A 242 10.214 5.540 -4.780 1.00 0.00 H new ATOM 0 HE22 GLN A 242 10.911 4.468 -3.561 1.00 0.00 H new ATOM 223 N ASN A 243 4.544 7.029 -3.935 1.00 0.00 N ATOM 224 CA ASN A 243 3.659 8.077 -3.455 1.00 0.00 C ATOM 225 C ASN A 243 2.787 7.567 -2.315 1.00 0.00 C ATOM 226 O ASN A 243 2.823 8.102 -1.205 1.00 0.00 O ATOM 227 CB ASN A 243 2.777 8.589 -4.595 1.00 0.00 C ATOM 228 CG ASN A 243 1.856 9.711 -4.156 1.00 0.00 C ATOM 229 OD1 ASN A 243 1.050 9.545 -3.241 1.00 0.00 O ATOM 230 ND2 ASN A 243 1.974 10.862 -4.807 1.00 0.00 N ATOM 0 H ASN A 243 4.695 7.034 -4.944 1.00 0.00 H new ATOM 0 HA ASN A 243 4.273 8.897 -3.083 1.00 0.00 H new ATOM 0 HB2 ASN A 243 3.410 8.940 -5.410 1.00 0.00 H new ATOM 0 HB3 ASN A 243 2.180 7.765 -4.987 1.00 0.00 H new ATOM 0 HD21 ASN A 243 1.382 11.654 -4.555 1.00 0.00 H new ATOM 0 HD22 ASN A 243 2.656 10.955 -5.560 1.00 0.00 H new ATOM 237 N MET A 244 2.020 6.511 -2.587 1.00 0.00 N ATOM 238 CA MET A 244 1.160 5.913 -1.575 1.00 0.00 C ATOM 239 C MET A 244 1.921 5.703 -0.279 1.00 0.00 C ATOM 240 O MET A 244 1.567 6.262 0.758 1.00 0.00 O ATOM 241 CB MET A 244 0.604 4.574 -2.075 1.00 0.00 C ATOM 242 CG MET A 244 -0.569 4.721 -3.026 1.00 0.00 C ATOM 243 SD MET A 244 -0.698 3.346 -4.187 1.00 0.00 S ATOM 244 CE MET A 244 -1.254 4.199 -5.660 1.00 0.00 C ATOM 0 H MET A 244 1.979 6.055 -3.499 1.00 0.00 H new ATOM 0 HA MET A 244 0.332 6.596 -1.386 1.00 0.00 H new ATOM 0 HB2 MET A 244 1.400 4.024 -2.576 1.00 0.00 H new ATOM 0 HB3 MET A 244 0.294 3.976 -1.218 1.00 0.00 H new ATOM 0 HG2 MET A 244 -1.492 4.793 -2.450 1.00 0.00 H new ATOM 0 HG3 MET A 244 -0.466 5.653 -3.582 1.00 0.00 H new ATOM 0 HE1 MET A 244 -0.890 3.674 -6.543 1.00 0.00 H new ATOM 0 HE2 MET A 244 -2.344 4.225 -5.676 1.00 0.00 H new ATOM 0 HE3 MET A 244 -0.867 5.218 -5.658 1.00 0.00 H new ATOM 254 N ARG A 245 2.970 4.890 -0.342 1.00 0.00 N ATOM 255 CA ARG A 245 3.781 4.599 0.831 1.00 0.00 C ATOM 256 C ARG A 245 4.050 5.862 1.637 1.00 0.00 C ATOM 257 O ARG A 245 4.028 5.840 2.859 1.00 0.00 O ATOM 258 CB ARG A 245 5.105 3.959 0.412 1.00 0.00 C ATOM 259 CG ARG A 245 5.686 3.019 1.459 1.00 0.00 C ATOM 260 CD ARG A 245 5.251 3.409 2.864 1.00 0.00 C ATOM 261 NE ARG A 245 5.865 2.563 3.884 1.00 0.00 N ATOM 262 CZ ARG A 245 5.387 2.432 5.118 1.00 0.00 C ATOM 263 NH1 ARG A 245 4.291 3.086 5.478 1.00 0.00 N ATOM 264 NH2 ARG A 245 6.001 1.644 5.988 1.00 0.00 N ATOM 0 H ARG A 245 3.277 4.421 -1.194 1.00 0.00 H new ATOM 0 HA ARG A 245 3.227 3.902 1.459 1.00 0.00 H new ATOM 0 HB2 ARG A 245 4.955 3.407 -0.516 1.00 0.00 H new ATOM 0 HB3 ARG A 245 5.829 4.746 0.201 1.00 0.00 H new ATOM 0 HG2 ARG A 245 5.367 1.998 1.249 1.00 0.00 H new ATOM 0 HG3 ARG A 245 6.774 3.033 1.397 1.00 0.00 H new ATOM 0 HD2 ARG A 245 5.516 4.450 3.049 1.00 0.00 H new ATOM 0 HD3 ARG A 245 4.166 3.338 2.940 1.00 0.00 H new ATOM 0 HE ARG A 245 6.707 2.044 3.636 1.00 0.00 H new ATOM 0 HH11 ARG A 245 3.814 3.690 4.808 1.00 0.00 H new ATOM 0 HH12 ARG A 245 3.925 2.985 6.425 1.00 0.00 H new ATOM 0 HH21 ARG A 245 6.842 1.137 5.712 1.00 0.00 H new ATOM 0 HH22 ARG A 245 5.633 1.545 6.934 1.00 0.00 H new ATOM 278 N GLN A 246 4.324 6.956 0.940 1.00 0.00 N ATOM 279 CA GLN A 246 4.621 8.225 1.596 1.00 0.00 C ATOM 280 C GLN A 246 3.440 8.693 2.444 1.00 0.00 C ATOM 281 O GLN A 246 3.527 8.749 3.672 1.00 0.00 O ATOM 282 CB GLN A 246 4.969 9.290 0.558 1.00 0.00 C ATOM 283 CG GLN A 246 6.202 8.955 -0.265 1.00 0.00 C ATOM 284 CD GLN A 246 6.941 10.192 -0.738 1.00 0.00 C ATOM 285 OE1 GLN A 246 7.293 10.309 -1.912 1.00 0.00 O ATOM 286 NE2 GLN A 246 7.180 11.125 0.177 1.00 0.00 N ATOM 0 H GLN A 246 4.347 6.992 -0.079 1.00 0.00 H new ATOM 0 HA GLN A 246 5.478 8.072 2.252 1.00 0.00 H new ATOM 0 HB2 GLN A 246 4.120 9.424 -0.112 1.00 0.00 H new ATOM 0 HB3 GLN A 246 5.128 10.242 1.065 1.00 0.00 H new ATOM 0 HG2 GLN A 246 6.876 8.339 0.331 1.00 0.00 H new ATOM 0 HG3 GLN A 246 5.907 8.360 -1.129 1.00 0.00 H new ATOM 0 HE21 GLN A 246 6.870 10.987 1.139 1.00 0.00 H new ATOM 0 HE22 GLN A 246 7.673 11.979 -0.083 1.00 0.00 H new ATOM 295 N VAL A 247 2.346 9.041 1.781 1.00 0.00 N ATOM 296 CA VAL A 247 1.153 9.521 2.471 1.00 0.00 C ATOM 297 C VAL A 247 0.774 8.597 3.627 1.00 0.00 C ATOM 298 O VAL A 247 0.460 9.058 4.724 1.00 0.00 O ATOM 299 CB VAL A 247 -0.045 9.638 1.508 1.00 0.00 C ATOM 300 CG1 VAL A 247 -0.155 8.396 0.639 1.00 0.00 C ATOM 301 CG2 VAL A 247 -1.333 9.872 2.284 1.00 0.00 C ATOM 0 H VAL A 247 2.258 9.001 0.766 1.00 0.00 H new ATOM 0 HA VAL A 247 1.392 10.509 2.864 1.00 0.00 H new ATOM 0 HB VAL A 247 0.119 10.495 0.855 1.00 0.00 H new ATOM 0 HG11 VAL A 247 -1.006 8.497 -0.034 1.00 0.00 H new ATOM 0 HG12 VAL A 247 0.758 8.279 0.055 1.00 0.00 H new ATOM 0 HG13 VAL A 247 -0.295 7.520 1.272 1.00 0.00 H new ATOM 0 HG21 VAL A 247 -2.168 9.952 1.588 1.00 0.00 H new ATOM 0 HG22 VAL A 247 -1.506 9.037 2.963 1.00 0.00 H new ATOM 0 HG23 VAL A 247 -1.249 10.795 2.858 1.00 0.00 H new ATOM 311 N ILE A 248 0.791 7.296 3.367 1.00 0.00 N ATOM 312 CA ILE A 248 0.432 6.309 4.380 1.00 0.00 C ATOM 313 C ILE A 248 1.571 6.100 5.374 1.00 0.00 C ATOM 314 O ILE A 248 1.343 5.718 6.521 1.00 0.00 O ATOM 315 CB ILE A 248 0.063 4.957 3.743 1.00 0.00 C ATOM 316 CG1 ILE A 248 1.186 4.481 2.803 1.00 0.00 C ATOM 317 CG2 ILE A 248 -1.258 5.072 2.991 1.00 0.00 C ATOM 318 CD1 ILE A 248 0.681 3.917 1.483 1.00 0.00 C ATOM 0 H ILE A 248 1.049 6.899 2.464 1.00 0.00 H new ATOM 0 HA ILE A 248 -0.438 6.700 4.908 1.00 0.00 H new ATOM 0 HB ILE A 248 -0.055 4.217 4.535 1.00 0.00 H new ATOM 0 HG12 ILE A 248 1.855 5.317 2.599 1.00 0.00 H new ATOM 0 HG13 ILE A 248 1.775 3.718 3.312 1.00 0.00 H new ATOM 0 HG21 ILE A 248 -1.508 4.109 2.545 1.00 0.00 H new ATOM 0 HG22 ILE A 248 -2.046 5.367 3.684 1.00 0.00 H new ATOM 0 HG23 ILE A 248 -1.166 5.822 2.206 1.00 0.00 H new ATOM 0 HD11 ILE A 248 1.528 3.603 0.874 1.00 0.00 H new ATOM 0 HD12 ILE A 248 0.035 3.060 1.677 1.00 0.00 H new ATOM 0 HD13 ILE A 248 0.117 4.684 0.952 1.00 0.00 H new ATOM 330 N GLN A 249 2.794 6.354 4.928 1.00 0.00 N ATOM 331 CA GLN A 249 3.967 6.196 5.780 1.00 0.00 C ATOM 332 C GLN A 249 3.868 7.086 7.005 1.00 0.00 C ATOM 333 O GLN A 249 3.728 6.601 8.128 1.00 0.00 O ATOM 334 CB GLN A 249 5.239 6.526 5.000 1.00 0.00 C ATOM 335 CG GLN A 249 6.437 6.823 5.886 1.00 0.00 C ATOM 336 CD GLN A 249 7.753 6.466 5.226 1.00 0.00 C ATOM 337 OE1 GLN A 249 8.199 5.320 5.283 1.00 0.00 O ATOM 338 NE2 GLN A 249 8.383 7.448 4.592 1.00 0.00 N ATOM 0 H GLN A 249 3.001 6.671 3.981 1.00 0.00 H new ATOM 0 HA GLN A 249 4.009 5.157 6.108 1.00 0.00 H new ATOM 0 HB2 GLN A 249 5.481 5.689 4.345 1.00 0.00 H new ATOM 0 HB3 GLN A 249 5.049 7.387 4.360 1.00 0.00 H new ATOM 0 HG2 GLN A 249 6.440 7.882 6.144 1.00 0.00 H new ATOM 0 HG3 GLN A 249 6.341 6.268 6.819 1.00 0.00 H new ATOM 0 HE21 GLN A 249 7.977 8.384 4.570 1.00 0.00 H new ATOM 0 HE22 GLN A 249 9.273 7.267 4.127 1.00 0.00 H new ATOM 347 N GLN A 250 3.927 8.391 6.785 1.00 0.00 N ATOM 348 CA GLN A 250 3.828 9.349 7.869 1.00 0.00 C ATOM 349 C GLN A 250 2.390 9.472 8.350 1.00 0.00 C ATOM 350 O GLN A 250 2.116 9.386 9.547 1.00 0.00 O ATOM 351 CB GLN A 250 4.346 10.714 7.417 1.00 0.00 C ATOM 352 CG GLN A 250 5.466 10.631 6.389 1.00 0.00 C ATOM 353 CD GLN A 250 5.086 11.257 5.061 1.00 0.00 C ATOM 354 OE1 GLN A 250 5.252 10.647 4.005 1.00 0.00 O ATOM 355 NE2 GLN A 250 4.573 12.481 5.109 1.00 0.00 N ATOM 0 H GLN A 250 4.043 8.809 5.862 1.00 0.00 H new ATOM 0 HA GLN A 250 4.441 8.992 8.697 1.00 0.00 H new ATOM 0 HB2 GLN A 250 3.519 11.286 6.996 1.00 0.00 H new ATOM 0 HB3 GLN A 250 4.703 11.264 8.288 1.00 0.00 H new ATOM 0 HG2 GLN A 250 6.352 11.130 6.781 1.00 0.00 H new ATOM 0 HG3 GLN A 250 5.732 9.586 6.231 1.00 0.00 H new ATOM 0 HE21 GLN A 250 4.453 12.949 6.007 1.00 0.00 H new ATOM 0 HE22 GLN A 250 4.299 12.953 4.247 1.00 0.00 H new ATOM 364 N ASN A 251 1.472 9.660 7.407 1.00 0.00 N ATOM 365 CA ASN A 251 0.054 9.767 7.731 1.00 0.00 C ATOM 366 C ASN A 251 -0.680 8.455 7.429 1.00 0.00 C ATOM 367 O ASN A 251 -1.458 8.374 6.480 1.00 0.00 O ATOM 368 CB ASN A 251 -0.583 10.913 6.942 1.00 0.00 C ATOM 369 CG ASN A 251 -1.830 11.453 7.614 1.00 0.00 C ATOM 370 OD1 ASN A 251 -2.702 10.693 8.033 1.00 0.00 O ATOM 371 ND2 ASN A 251 -1.921 12.774 7.721 1.00 0.00 N ATOM 0 H ASN A 251 1.685 9.741 6.413 1.00 0.00 H new ATOM 0 HA ASN A 251 -0.034 9.973 8.798 1.00 0.00 H new ATOM 0 HB2 ASN A 251 0.142 11.718 6.827 1.00 0.00 H new ATOM 0 HB3 ASN A 251 -0.835 10.565 5.940 1.00 0.00 H new ATOM 0 HD21 ASN A 251 -2.738 13.195 8.165 1.00 0.00 H new ATOM 0 HD22 ASN A 251 -1.174 13.368 7.360 1.00 0.00 H new ATOM 378 N PRO A 252 -0.435 7.407 8.242 1.00 0.00 N ATOM 379 CA PRO A 252 -1.074 6.095 8.061 1.00 0.00 C ATOM 380 C PRO A 252 -2.547 6.098 8.482 1.00 0.00 C ATOM 381 O PRO A 252 -3.044 5.119 9.039 1.00 0.00 O ATOM 382 CB PRO A 252 -0.263 5.184 8.974 1.00 0.00 C ATOM 383 CG PRO A 252 0.243 6.084 10.049 1.00 0.00 C ATOM 384 CD PRO A 252 0.492 7.417 9.389 1.00 0.00 C ATOM 0 HA PRO A 252 -1.080 5.785 7.016 1.00 0.00 H new ATOM 0 HB2 PRO A 252 -0.879 4.384 9.384 1.00 0.00 H new ATOM 0 HB3 PRO A 252 0.557 4.710 8.435 1.00 0.00 H new ATOM 0 HG2 PRO A 252 -0.485 6.177 10.855 1.00 0.00 H new ATOM 0 HG3 PRO A 252 1.158 5.689 10.490 1.00 0.00 H new ATOM 0 HD2 PRO A 252 0.285 8.246 10.066 1.00 0.00 H new ATOM 0 HD3 PRO A 252 1.528 7.519 9.067 1.00 0.00 H new ATOM 392 N ALA A 253 -3.234 7.205 8.214 1.00 0.00 N ATOM 393 CA ALA A 253 -4.641 7.334 8.568 1.00 0.00 C ATOM 394 C ALA A 253 -5.532 6.725 7.492 1.00 0.00 C ATOM 395 O ALA A 253 -6.448 5.959 7.792 1.00 0.00 O ATOM 396 CB ALA A 253 -5.012 8.791 8.797 1.00 0.00 C ATOM 0 H ALA A 253 -2.838 8.024 7.753 1.00 0.00 H new ATOM 0 HA ALA A 253 -4.801 6.787 9.497 1.00 0.00 H new ATOM 0 HB1 ALA A 253 -6.068 8.861 9.060 1.00 0.00 H new ATOM 0 HB2 ALA A 253 -4.408 9.197 9.609 1.00 0.00 H new ATOM 0 HB3 ALA A 253 -4.826 9.361 7.887 1.00 0.00 H new ATOM 402 N LEU A 254 -5.268 7.083 6.240 1.00 0.00 N ATOM 403 CA LEU A 254 -6.058 6.584 5.120 1.00 0.00 C ATOM 404 C LEU A 254 -5.507 5.257 4.609 1.00 0.00 C ATOM 405 O LEU A 254 -6.087 4.635 3.719 1.00 0.00 O ATOM 406 CB LEU A 254 -6.076 7.611 3.985 1.00 0.00 C ATOM 407 CG LEU A 254 -5.603 9.012 4.374 1.00 0.00 C ATOM 408 CD1 LEU A 254 -5.736 9.965 3.197 1.00 0.00 C ATOM 409 CD2 LEU A 254 -6.386 9.527 5.572 1.00 0.00 C ATOM 0 H LEU A 254 -4.514 7.716 5.975 1.00 0.00 H new ATOM 0 HA LEU A 254 -7.076 6.421 5.473 1.00 0.00 H new ATOM 0 HB2 LEU A 254 -5.448 7.244 3.173 1.00 0.00 H new ATOM 0 HB3 LEU A 254 -7.091 7.682 3.595 1.00 0.00 H new ATOM 0 HG LEU A 254 -4.551 8.955 4.652 1.00 0.00 H new ATOM 0 HD11 LEU A 254 -5.395 10.957 3.492 1.00 0.00 H new ATOM 0 HD12 LEU A 254 -5.129 9.605 2.367 1.00 0.00 H new ATOM 0 HD13 LEU A 254 -6.780 10.017 2.887 1.00 0.00 H new ATOM 0 HD21 LEU A 254 -6.035 10.525 5.834 1.00 0.00 H new ATOM 0 HD22 LEU A 254 -7.446 9.569 5.323 1.00 0.00 H new ATOM 0 HD23 LEU A 254 -6.238 8.857 6.419 1.00 0.00 H new ATOM 421 N LEU A 255 -4.379 4.835 5.170 1.00 0.00 N ATOM 422 CA LEU A 255 -3.744 3.589 4.760 1.00 0.00 C ATOM 423 C LEU A 255 -3.584 3.535 3.245 1.00 0.00 C ATOM 424 O LEU A 255 -4.101 4.389 2.525 1.00 0.00 O ATOM 425 CB LEU A 255 -4.565 2.390 5.242 1.00 0.00 C ATOM 426 CG LEU A 255 -5.618 1.885 4.254 1.00 0.00 C ATOM 427 CD1 LEU A 255 -5.205 0.542 3.673 1.00 0.00 C ATOM 428 CD2 LEU A 255 -6.976 1.781 4.931 1.00 0.00 C ATOM 0 H LEU A 255 -3.887 5.337 5.909 1.00 0.00 H new ATOM 0 HA LEU A 255 -2.754 3.547 5.214 1.00 0.00 H new ATOM 0 HB2 LEU A 255 -3.883 1.571 5.472 1.00 0.00 H new ATOM 0 HB3 LEU A 255 -5.063 2.661 6.173 1.00 0.00 H new ATOM 0 HG LEU A 255 -5.695 2.602 3.436 1.00 0.00 H new ATOM 0 HD11 LEU A 255 -5.966 0.199 2.973 1.00 0.00 H new ATOM 0 HD12 LEU A 255 -4.254 0.648 3.152 1.00 0.00 H new ATOM 0 HD13 LEU A 255 -5.098 -0.185 4.478 1.00 0.00 H new ATOM 0 HD21 LEU A 255 -7.713 1.420 4.214 1.00 0.00 H new ATOM 0 HD22 LEU A 255 -6.913 1.085 5.768 1.00 0.00 H new ATOM 0 HD23 LEU A 255 -7.276 2.763 5.297 1.00 0.00 H new ATOM 440 N PRO A 256 -2.858 2.531 2.745 1.00 0.00 N ATOM 441 CA PRO A 256 -2.618 2.364 1.315 1.00 0.00 C ATOM 442 C PRO A 256 -3.854 1.855 0.581 1.00 0.00 C ATOM 443 O PRO A 256 -3.791 0.865 -0.149 1.00 0.00 O ATOM 444 CB PRO A 256 -1.477 1.314 1.252 1.00 0.00 C ATOM 445 CG PRO A 256 -1.046 1.111 2.683 1.00 0.00 C ATOM 446 CD PRO A 256 -2.216 1.496 3.527 1.00 0.00 C ATOM 0 HA PRO A 256 -2.365 3.308 0.833 1.00 0.00 H new ATOM 0 HB2 PRO A 256 -1.825 0.381 0.810 1.00 0.00 H new ATOM 0 HB3 PRO A 256 -0.649 1.669 0.638 1.00 0.00 H new ATOM 0 HG2 PRO A 256 -0.762 0.074 2.861 1.00 0.00 H new ATOM 0 HG3 PRO A 256 -0.177 1.725 2.919 1.00 0.00 H new ATOM 0 HD2 PRO A 256 -2.882 0.651 3.702 1.00 0.00 H new ATOM 0 HD3 PRO A 256 -1.904 1.864 4.504 1.00 0.00 H new ATOM 454 N ALA A 257 -4.978 2.536 0.782 1.00 0.00 N ATOM 455 CA ALA A 257 -6.229 2.154 0.143 1.00 0.00 C ATOM 456 C ALA A 257 -6.101 2.201 -1.371 1.00 0.00 C ATOM 457 O ALA A 257 -6.813 1.497 -2.086 1.00 0.00 O ATOM 458 CB ALA A 257 -7.371 3.047 0.604 1.00 0.00 C ATOM 0 H ALA A 257 -5.046 3.357 1.384 1.00 0.00 H new ATOM 0 HA ALA A 257 -6.453 1.129 0.439 1.00 0.00 H new ATOM 0 HB1 ALA A 257 -8.294 2.741 0.112 1.00 0.00 H new ATOM 0 HB2 ALA A 257 -7.489 2.958 1.684 1.00 0.00 H new ATOM 0 HB3 ALA A 257 -7.149 4.083 0.347 1.00 0.00 H new ATOM 464 N LEU A 258 -5.191 3.036 -1.857 1.00 0.00 N ATOM 465 CA LEU A 258 -4.970 3.174 -3.289 1.00 0.00 C ATOM 466 C LEU A 258 -5.115 1.829 -3.992 1.00 0.00 C ATOM 467 O LEU A 258 -5.651 1.749 -5.099 1.00 0.00 O ATOM 468 CB LEU A 258 -3.582 3.755 -3.559 1.00 0.00 C ATOM 469 CG LEU A 258 -3.509 5.283 -3.555 1.00 0.00 C ATOM 470 CD1 LEU A 258 -4.579 5.870 -4.461 1.00 0.00 C ATOM 471 CD2 LEU A 258 -3.652 5.819 -2.138 1.00 0.00 C ATOM 0 H LEU A 258 -4.594 3.628 -1.279 1.00 0.00 H new ATOM 0 HA LEU A 258 -5.724 3.855 -3.684 1.00 0.00 H new ATOM 0 HB2 LEU A 258 -2.892 3.371 -2.808 1.00 0.00 H new ATOM 0 HB3 LEU A 258 -3.235 3.392 -4.526 1.00 0.00 H new ATOM 0 HG LEU A 258 -2.534 5.583 -3.938 1.00 0.00 H new ATOM 0 HD11 LEU A 258 -4.512 6.958 -4.446 1.00 0.00 H new ATOM 0 HD12 LEU A 258 -4.430 5.512 -5.480 1.00 0.00 H new ATOM 0 HD13 LEU A 258 -5.563 5.562 -4.108 1.00 0.00 H new ATOM 0 HD21 LEU A 258 -3.598 6.908 -2.154 1.00 0.00 H new ATOM 0 HD22 LEU A 258 -4.613 5.509 -1.727 1.00 0.00 H new ATOM 0 HD23 LEU A 258 -2.848 5.425 -1.517 1.00 0.00 H new ATOM 483 N LEU A 259 -4.649 0.771 -3.335 1.00 0.00 N ATOM 484 CA LEU A 259 -4.739 -0.573 -3.891 1.00 0.00 C ATOM 485 C LEU A 259 -6.184 -1.051 -3.923 1.00 0.00 C ATOM 486 O LEU A 259 -6.635 -1.629 -4.912 1.00 0.00 O ATOM 487 CB LEU A 259 -3.887 -1.544 -3.072 1.00 0.00 C ATOM 488 CG LEU A 259 -4.324 -3.007 -3.145 1.00 0.00 C ATOM 489 CD1 LEU A 259 -5.536 -3.245 -2.260 1.00 0.00 C ATOM 490 CD2 LEU A 259 -4.624 -3.403 -4.583 1.00 0.00 C ATOM 0 H LEU A 259 -4.206 0.819 -2.418 1.00 0.00 H new ATOM 0 HA LEU A 259 -4.362 -0.543 -4.913 1.00 0.00 H new ATOM 0 HB2 LEU A 259 -2.854 -1.472 -3.411 1.00 0.00 H new ATOM 0 HB3 LEU A 259 -3.903 -1.227 -2.029 1.00 0.00 H new ATOM 0 HG LEU A 259 -3.507 -3.630 -2.782 1.00 0.00 H new ATOM 0 HD11 LEU A 259 -5.833 -4.292 -2.324 1.00 0.00 H new ATOM 0 HD12 LEU A 259 -5.286 -3.001 -1.227 1.00 0.00 H new ATOM 0 HD13 LEU A 259 -6.359 -2.613 -2.593 1.00 0.00 H new ATOM 0 HD21 LEU A 259 -4.934 -4.448 -4.616 1.00 0.00 H new ATOM 0 HD22 LEU A 259 -5.425 -2.775 -4.974 1.00 0.00 H new ATOM 0 HD23 LEU A 259 -3.729 -3.271 -5.191 1.00 0.00 H new ATOM 502 N GLN A 260 -6.909 -0.795 -2.841 1.00 0.00 N ATOM 503 CA GLN A 260 -8.309 -1.188 -2.749 1.00 0.00 C ATOM 504 C GLN A 260 -9.123 -0.558 -3.872 1.00 0.00 C ATOM 505 O GLN A 260 -9.985 -1.207 -4.467 1.00 0.00 O ATOM 506 CB GLN A 260 -8.887 -0.778 -1.393 1.00 0.00 C ATOM 507 CG GLN A 260 -8.079 -1.284 -0.210 1.00 0.00 C ATOM 508 CD GLN A 260 -8.110 -2.794 -0.084 1.00 0.00 C ATOM 509 OE1 GLN A 260 -7.843 -3.515 -1.045 1.00 0.00 O ATOM 510 NE2 GLN A 260 -8.441 -3.282 1.106 1.00 0.00 N ATOM 0 H GLN A 260 -6.550 -0.317 -2.015 1.00 0.00 H new ATOM 0 HA GLN A 260 -8.365 -2.272 -2.847 1.00 0.00 H new ATOM 0 HB2 GLN A 260 -8.944 0.309 -1.345 1.00 0.00 H new ATOM 0 HB3 GLN A 260 -9.907 -1.154 -1.313 1.00 0.00 H new ATOM 0 HG2 GLN A 260 -7.046 -0.953 -0.313 1.00 0.00 H new ATOM 0 HG3 GLN A 260 -8.466 -0.839 0.706 1.00 0.00 H new ATOM 0 HE21 GLN A 260 -8.655 -2.648 1.876 1.00 0.00 H new ATOM 0 HE22 GLN A 260 -8.481 -4.291 1.250 1.00 0.00 H new ATOM 519 N GLN A 261 -8.837 0.706 -4.167 1.00 0.00 N ATOM 520 CA GLN A 261 -9.532 1.419 -5.228 1.00 0.00 C ATOM 521 C GLN A 261 -9.110 0.901 -6.596 1.00 0.00 C ATOM 522 O GLN A 261 -9.885 0.936 -7.551 1.00 0.00 O ATOM 523 CB GLN A 261 -9.255 2.920 -5.131 1.00 0.00 C ATOM 524 CG GLN A 261 -9.749 3.548 -3.838 1.00 0.00 C ATOM 525 CD GLN A 261 -8.998 4.816 -3.481 1.00 0.00 C ATOM 526 OE1 GLN A 261 -8.426 4.928 -2.398 1.00 0.00 O ATOM 527 NE2 GLN A 261 -8.998 5.780 -4.395 1.00 0.00 N ATOM 0 H GLN A 261 -8.127 1.257 -3.684 1.00 0.00 H new ATOM 0 HA GLN A 261 -10.601 1.246 -5.107 1.00 0.00 H new ATOM 0 HB2 GLN A 261 -8.182 3.089 -5.221 1.00 0.00 H new ATOM 0 HB3 GLN A 261 -9.729 3.424 -5.974 1.00 0.00 H new ATOM 0 HG2 GLN A 261 -10.811 3.773 -3.931 1.00 0.00 H new ATOM 0 HG3 GLN A 261 -9.645 2.828 -3.026 1.00 0.00 H new ATOM 0 HE21 GLN A 261 -9.486 5.643 -5.280 1.00 0.00 H new ATOM 0 HE22 GLN A 261 -8.510 6.657 -4.212 1.00 0.00 H new ATOM 536 N LEU A 262 -7.876 0.414 -6.683 1.00 0.00 N ATOM 537 CA LEU A 262 -7.352 -0.121 -7.933 1.00 0.00 C ATOM 538 C LEU A 262 -8.031 -1.441 -8.287 1.00 0.00 C ATOM 539 O LEU A 262 -8.597 -1.589 -9.370 1.00 0.00 O ATOM 540 CB LEU A 262 -5.839 -0.324 -7.830 1.00 0.00 C ATOM 541 CG LEU A 262 -4.996 0.702 -8.590 1.00 0.00 C ATOM 542 CD1 LEU A 262 -4.996 2.036 -7.861 1.00 0.00 C ATOM 543 CD2 LEU A 262 -3.575 0.191 -8.774 1.00 0.00 C ATOM 0 H LEU A 262 -7.221 0.379 -5.902 1.00 0.00 H new ATOM 0 HA LEU A 262 -7.562 0.599 -8.724 1.00 0.00 H new ATOM 0 HB2 LEU A 262 -5.555 -0.298 -6.778 1.00 0.00 H new ATOM 0 HB3 LEU A 262 -5.595 -1.319 -8.201 1.00 0.00 H new ATOM 0 HG LEU A 262 -5.437 0.851 -9.575 1.00 0.00 H new ATOM 0 HD11 LEU A 262 -4.392 2.754 -8.416 1.00 0.00 H new ATOM 0 HD12 LEU A 262 -6.018 2.407 -7.781 1.00 0.00 H new ATOM 0 HD13 LEU A 262 -4.579 1.905 -6.863 1.00 0.00 H new ATOM 0 HD21 LEU A 262 -2.989 0.933 -9.316 1.00 0.00 H new ATOM 0 HD22 LEU A 262 -3.123 0.014 -7.798 1.00 0.00 H new ATOM 0 HD23 LEU A 262 -3.594 -0.741 -9.339 1.00 0.00 H new ATOM 555 N GLY A 263 -7.977 -2.396 -7.364 1.00 0.00 N ATOM 556 CA GLY A 263 -8.595 -3.688 -7.594 1.00 0.00 C ATOM 557 C GLY A 263 -10.107 -3.612 -7.602 1.00 0.00 C ATOM 558 O GLY A 263 -10.773 -4.427 -8.241 1.00 0.00 O ATOM 0 H GLY A 263 -7.515 -2.297 -6.460 1.00 0.00 H new ATOM 0 HA2 GLY A 263 -8.249 -4.089 -8.547 1.00 0.00 H new ATOM 0 HA3 GLY A 263 -8.273 -4.385 -6.820 1.00 0.00 H new ATOM 562 N GLN A 264 -10.650 -2.626 -6.900 1.00 0.00 N ATOM 563 CA GLN A 264 -12.094 -2.439 -6.835 1.00 0.00 C ATOM 564 C GLN A 264 -12.594 -1.674 -8.051 1.00 0.00 C ATOM 565 O GLN A 264 -13.540 -2.096 -8.717 1.00 0.00 O ATOM 566 CB GLN A 264 -12.475 -1.692 -5.556 1.00 0.00 C ATOM 567 CG GLN A 264 -13.907 -1.182 -5.553 1.00 0.00 C ATOM 568 CD GLN A 264 -14.924 -2.298 -5.689 1.00 0.00 C ATOM 569 OE1 GLN A 264 -14.566 -3.461 -5.876 1.00 0.00 O ATOM 570 NE2 GLN A 264 -16.202 -1.948 -5.597 1.00 0.00 N ATOM 0 H GLN A 264 -10.112 -1.943 -6.367 1.00 0.00 H new ATOM 0 HA GLN A 264 -12.564 -3.422 -6.826 1.00 0.00 H new ATOM 0 HB2 GLN A 264 -12.332 -2.354 -4.702 1.00 0.00 H new ATOM 0 HB3 GLN A 264 -11.797 -0.849 -5.422 1.00 0.00 H new ATOM 0 HG2 GLN A 264 -14.093 -0.637 -4.627 1.00 0.00 H new ATOM 0 HG3 GLN A 264 -14.038 -0.474 -6.371 1.00 0.00 H new ATOM 0 HE21 GLN A 264 -16.454 -0.972 -5.442 1.00 0.00 H new ATOM 0 HE22 GLN A 264 -16.932 -2.655 -5.682 1.00 0.00 H new ATOM 579 N GLU A 265 -11.945 -0.554 -8.345 1.00 0.00 N ATOM 580 CA GLU A 265 -12.312 0.261 -9.492 1.00 0.00 C ATOM 581 C GLU A 265 -12.707 -0.615 -10.674 1.00 0.00 C ATOM 582 O GLU A 265 -13.876 -0.679 -11.050 1.00 0.00 O ATOM 583 CB GLU A 265 -11.146 1.181 -9.885 1.00 0.00 C ATOM 584 CG GLU A 265 -11.095 1.507 -11.372 1.00 0.00 C ATOM 585 CD GLU A 265 -12.454 1.883 -11.933 1.00 0.00 C ATOM 586 OE1 GLU A 265 -12.913 3.014 -11.670 1.00 0.00 O ATOM 587 OE2 GLU A 265 -13.058 1.045 -12.636 1.00 0.00 O ATOM 0 H GLU A 265 -11.161 -0.191 -7.803 1.00 0.00 H new ATOM 0 HA GLU A 265 -13.170 0.873 -9.215 1.00 0.00 H new ATOM 0 HB2 GLU A 265 -11.223 2.111 -9.321 1.00 0.00 H new ATOM 0 HB3 GLU A 265 -10.208 0.708 -9.594 1.00 0.00 H new ATOM 0 HG2 GLU A 265 -10.398 2.329 -11.537 1.00 0.00 H new ATOM 0 HG3 GLU A 265 -10.707 0.646 -11.916 1.00 0.00 H new ATOM 594 N ASN A 266 -11.724 -1.292 -11.251 1.00 0.00 N ATOM 595 CA ASN A 266 -11.967 -2.171 -12.385 1.00 0.00 C ATOM 596 C ASN A 266 -11.957 -3.632 -11.951 1.00 0.00 C ATOM 597 O ASN A 266 -11.004 -4.099 -11.328 1.00 0.00 O ATOM 598 CB ASN A 266 -10.914 -1.941 -13.469 1.00 0.00 C ATOM 599 CG ASN A 266 -11.513 -1.393 -14.749 1.00 0.00 C ATOM 600 OD1 ASN A 266 -12.620 -0.853 -14.751 1.00 0.00 O ATOM 601 ND2 ASN A 266 -10.782 -1.529 -15.850 1.00 0.00 N ATOM 0 H ASN A 266 -10.750 -1.249 -10.952 1.00 0.00 H new ATOM 0 HA ASN A 266 -12.952 -1.938 -12.790 1.00 0.00 H new ATOM 0 HB2 ASN A 266 -10.160 -1.247 -13.098 1.00 0.00 H new ATOM 0 HB3 ASN A 266 -10.405 -2.881 -13.683 1.00 0.00 H new ATOM 0 HD21 ASN A 266 -11.133 -1.179 -16.742 1.00 0.00 H new ATOM 0 HD22 ASN A 266 -9.870 -1.983 -15.804 1.00 0.00 H new ATOM 608 N PRO A 267 -13.019 -4.376 -12.289 1.00 0.00 N ATOM 609 CA PRO A 267 -13.132 -5.798 -11.944 1.00 0.00 C ATOM 610 C PRO A 267 -12.020 -6.630 -12.570 1.00 0.00 C ATOM 611 O PRO A 267 -11.745 -7.747 -12.132 1.00 0.00 O ATOM 612 CB PRO A 267 -14.499 -6.204 -12.525 1.00 0.00 C ATOM 613 CG PRO A 267 -14.808 -5.159 -13.544 1.00 0.00 C ATOM 614 CD PRO A 267 -14.181 -3.896 -13.042 1.00 0.00 C ATOM 0 HA PRO A 267 -13.047 -5.965 -10.870 1.00 0.00 H new ATOM 0 HB2 PRO A 267 -14.458 -7.196 -12.976 1.00 0.00 H new ATOM 0 HB3 PRO A 267 -15.264 -6.238 -11.749 1.00 0.00 H new ATOM 0 HG2 PRO A 267 -14.406 -5.434 -14.519 1.00 0.00 H new ATOM 0 HG3 PRO A 267 -15.884 -5.039 -13.666 1.00 0.00 H new ATOM 0 HD2 PRO A 267 -13.887 -3.239 -13.861 1.00 0.00 H new ATOM 0 HD3 PRO A 267 -14.865 -3.330 -12.410 1.00 0.00 H new ATOM 622 N GLN A 268 -11.374 -6.073 -13.588 1.00 0.00 N ATOM 623 CA GLN A 268 -10.283 -6.757 -14.268 1.00 0.00 C ATOM 624 C GLN A 268 -8.934 -6.332 -13.694 1.00 0.00 C ATOM 625 O GLN A 268 -7.971 -7.098 -13.712 1.00 0.00 O ATOM 626 CB GLN A 268 -10.326 -6.467 -15.769 1.00 0.00 C ATOM 627 CG GLN A 268 -10.815 -7.640 -16.601 1.00 0.00 C ATOM 628 CD GLN A 268 -10.751 -7.365 -18.091 1.00 0.00 C ATOM 629 OE1 GLN A 268 -11.548 -6.594 -18.626 1.00 0.00 O ATOM 630 NE2 GLN A 268 -9.800 -7.997 -18.769 1.00 0.00 N ATOM 0 H GLN A 268 -11.588 -5.148 -13.960 1.00 0.00 H new ATOM 0 HA GLN A 268 -10.405 -7.829 -14.110 1.00 0.00 H new ATOM 0 HB2 GLN A 268 -10.976 -5.610 -15.947 1.00 0.00 H new ATOM 0 HB3 GLN A 268 -9.328 -6.185 -16.105 1.00 0.00 H new ATOM 0 HG2 GLN A 268 -10.213 -8.519 -16.371 1.00 0.00 H new ATOM 0 HG3 GLN A 268 -11.842 -7.875 -16.322 1.00 0.00 H new ATOM 0 HE21 GLN A 268 -9.161 -8.627 -18.284 1.00 0.00 H new ATOM 0 HE22 GLN A 268 -9.708 -7.852 -19.774 1.00 0.00 H new ATOM 639 N LEU A 269 -8.874 -5.103 -13.187 1.00 0.00 N ATOM 640 CA LEU A 269 -7.644 -4.575 -12.610 1.00 0.00 C ATOM 641 C LEU A 269 -7.118 -5.496 -11.515 1.00 0.00 C ATOM 642 O LEU A 269 -6.033 -6.064 -11.636 1.00 0.00 O ATOM 643 CB LEU A 269 -7.883 -3.174 -12.042 1.00 0.00 C ATOM 644 CG LEU A 269 -6.694 -2.217 -12.161 1.00 0.00 C ATOM 645 CD1 LEU A 269 -6.612 -1.643 -13.568 1.00 0.00 C ATOM 646 CD2 LEU A 269 -6.803 -1.102 -11.134 1.00 0.00 C ATOM 0 H LEU A 269 -9.662 -4.456 -13.165 1.00 0.00 H new ATOM 0 HA LEU A 269 -6.897 -4.517 -13.401 1.00 0.00 H new ATOM 0 HB2 LEU A 269 -8.739 -2.732 -12.553 1.00 0.00 H new ATOM 0 HB3 LEU A 269 -8.153 -3.266 -10.990 1.00 0.00 H new ATOM 0 HG LEU A 269 -5.779 -2.776 -11.964 1.00 0.00 H new ATOM 0 HD11 LEU A 269 -5.761 -0.965 -13.635 1.00 0.00 H new ATOM 0 HD12 LEU A 269 -6.487 -2.454 -14.285 1.00 0.00 H new ATOM 0 HD13 LEU A 269 -7.529 -1.098 -13.793 1.00 0.00 H new ATOM 0 HD21 LEU A 269 -5.950 -0.431 -11.233 1.00 0.00 H new ATOM 0 HD22 LEU A 269 -7.724 -0.544 -11.300 1.00 0.00 H new ATOM 0 HD23 LEU A 269 -6.813 -1.530 -10.132 1.00 0.00 H new ATOM 658 N LEU A 270 -7.895 -5.641 -10.447 1.00 0.00 N ATOM 659 CA LEU A 270 -7.507 -6.494 -9.329 1.00 0.00 C ATOM 660 C LEU A 270 -6.776 -7.738 -9.820 1.00 0.00 C ATOM 661 O LEU A 270 -5.644 -8.006 -9.416 1.00 0.00 O ATOM 662 CB LEU A 270 -8.740 -6.900 -8.519 1.00 0.00 C ATOM 663 CG LEU A 270 -8.473 -7.899 -7.392 1.00 0.00 C ATOM 664 CD1 LEU A 270 -8.654 -7.233 -6.036 1.00 0.00 C ATOM 665 CD2 LEU A 270 -9.388 -9.107 -7.522 1.00 0.00 C ATOM 0 H LEU A 270 -8.797 -5.179 -10.332 1.00 0.00 H new ATOM 0 HA LEU A 270 -6.830 -5.926 -8.690 1.00 0.00 H new ATOM 0 HB2 LEU A 270 -9.186 -6.003 -8.090 1.00 0.00 H new ATOM 0 HB3 LEU A 270 -9.477 -7.329 -9.198 1.00 0.00 H new ATOM 0 HG LEU A 270 -7.441 -8.241 -7.471 1.00 0.00 H new ATOM 0 HD11 LEU A 270 -8.460 -7.958 -5.246 1.00 0.00 H new ATOM 0 HD12 LEU A 270 -7.957 -6.400 -5.944 1.00 0.00 H new ATOM 0 HD13 LEU A 270 -9.675 -6.863 -5.946 1.00 0.00 H new ATOM 0 HD21 LEU A 270 -9.184 -9.807 -6.712 1.00 0.00 H new ATOM 0 HD22 LEU A 270 -10.428 -8.783 -7.469 1.00 0.00 H new ATOM 0 HD23 LEU A 270 -9.209 -9.598 -8.479 1.00 0.00 H new ATOM 677 N GLN A 271 -7.429 -8.494 -10.696 1.00 0.00 N ATOM 678 CA GLN A 271 -6.839 -9.710 -11.245 1.00 0.00 C ATOM 679 C GLN A 271 -5.424 -9.449 -11.750 1.00 0.00 C ATOM 680 O GLN A 271 -4.469 -10.088 -11.309 1.00 0.00 O ATOM 681 CB GLN A 271 -7.705 -10.253 -12.381 1.00 0.00 C ATOM 682 CG GLN A 271 -8.048 -11.726 -12.234 1.00 0.00 C ATOM 683 CD GLN A 271 -9.254 -11.959 -11.346 1.00 0.00 C ATOM 684 OE1 GLN A 271 -10.284 -11.302 -11.494 1.00 0.00 O ATOM 685 NE2 GLN A 271 -9.130 -12.898 -10.415 1.00 0.00 N ATOM 0 H GLN A 271 -8.366 -8.287 -11.041 1.00 0.00 H new ATOM 0 HA GLN A 271 -6.790 -10.452 -10.448 1.00 0.00 H new ATOM 0 HB2 GLN A 271 -8.629 -9.677 -12.430 1.00 0.00 H new ATOM 0 HB3 GLN A 271 -7.185 -10.102 -13.327 1.00 0.00 H new ATOM 0 HG2 GLN A 271 -8.240 -12.150 -13.219 1.00 0.00 H new ATOM 0 HG3 GLN A 271 -7.190 -12.255 -11.821 1.00 0.00 H new ATOM 0 HE21 GLN A 271 -8.257 -13.418 -10.328 1.00 0.00 H new ATOM 0 HE22 GLN A 271 -9.908 -13.099 -9.787 1.00 0.00 H new ATOM 694 N GLN A 272 -5.298 -8.505 -12.677 1.00 0.00 N ATOM 695 CA GLN A 272 -3.999 -8.159 -13.243 1.00 0.00 C ATOM 696 C GLN A 272 -3.035 -7.699 -12.152 1.00 0.00 C ATOM 697 O GLN A 272 -1.832 -7.949 -12.229 1.00 0.00 O ATOM 698 CB GLN A 272 -4.156 -7.062 -14.296 1.00 0.00 C ATOM 699 CG GLN A 272 -5.259 -7.340 -15.305 1.00 0.00 C ATOM 700 CD GLN A 272 -4.991 -8.580 -16.134 1.00 0.00 C ATOM 701 OE1 GLN A 272 -3.948 -9.220 -15.997 1.00 0.00 O ATOM 702 NE2 GLN A 272 -5.935 -8.926 -17.003 1.00 0.00 N ATOM 0 H GLN A 272 -6.079 -7.966 -13.052 1.00 0.00 H new ATOM 0 HA GLN A 272 -3.586 -9.051 -13.715 1.00 0.00 H new ATOM 0 HB2 GLN A 272 -4.363 -6.116 -13.795 1.00 0.00 H new ATOM 0 HB3 GLN A 272 -3.212 -6.942 -14.827 1.00 0.00 H new ATOM 0 HG2 GLN A 272 -6.207 -7.457 -14.779 1.00 0.00 H new ATOM 0 HG3 GLN A 272 -5.366 -6.481 -15.967 1.00 0.00 H new ATOM 0 HE21 GLN A 272 -6.784 -8.366 -17.083 1.00 0.00 H new ATOM 0 HE22 GLN A 272 -5.811 -9.751 -17.590 1.00 0.00 H new ATOM 711 N ILE A 273 -3.573 -7.033 -11.136 1.00 0.00 N ATOM 712 CA ILE A 273 -2.762 -6.545 -10.027 1.00 0.00 C ATOM 713 C ILE A 273 -2.167 -7.701 -9.235 1.00 0.00 C ATOM 714 O ILE A 273 -1.127 -7.559 -8.600 1.00 0.00 O ATOM 715 CB ILE A 273 -3.584 -5.653 -9.075 1.00 0.00 C ATOM 716 CG1 ILE A 273 -4.128 -4.435 -9.826 1.00 0.00 C ATOM 717 CG2 ILE A 273 -2.732 -5.215 -7.888 1.00 0.00 C ATOM 718 CD1 ILE A 273 -4.557 -3.305 -8.916 1.00 0.00 C ATOM 0 H ILE A 273 -4.567 -6.819 -11.058 1.00 0.00 H new ATOM 0 HA ILE A 273 -1.958 -5.951 -10.461 1.00 0.00 H new ATOM 0 HB ILE A 273 -4.428 -6.231 -8.697 1.00 0.00 H new ATOM 0 HG12 ILE A 273 -3.363 -4.069 -10.510 1.00 0.00 H new ATOM 0 HG13 ILE A 273 -4.978 -4.743 -10.434 1.00 0.00 H new ATOM 0 HG21 ILE A 273 -3.327 -4.586 -7.226 1.00 0.00 H new ATOM 0 HG22 ILE A 273 -2.389 -6.094 -7.342 1.00 0.00 H new ATOM 0 HG23 ILE A 273 -1.871 -4.651 -8.247 1.00 0.00 H new ATOM 0 HD11 ILE A 273 -4.931 -2.476 -9.517 1.00 0.00 H new ATOM 0 HD12 ILE A 273 -5.345 -3.654 -8.249 1.00 0.00 H new ATOM 0 HD13 ILE A 273 -3.704 -2.969 -8.326 1.00 0.00 H new ATOM 730 N SER A 274 -2.839 -8.848 -9.277 1.00 0.00 N ATOM 731 CA SER A 274 -2.375 -10.031 -8.564 1.00 0.00 C ATOM 732 C SER A 274 -0.856 -10.155 -8.645 1.00 0.00 C ATOM 733 O SER A 274 -0.204 -10.555 -7.681 1.00 0.00 O ATOM 734 CB SER A 274 -3.031 -11.288 -9.138 1.00 0.00 C ATOM 735 OG SER A 274 -2.456 -12.461 -8.589 1.00 0.00 O ATOM 0 H SER A 274 -3.706 -8.982 -9.797 1.00 0.00 H new ATOM 0 HA SER A 274 -2.658 -9.927 -7.517 1.00 0.00 H new ATOM 0 HB2 SER A 274 -4.101 -11.271 -8.928 1.00 0.00 H new ATOM 0 HB3 SER A 274 -2.919 -11.298 -10.222 1.00 0.00 H new ATOM 0 HG SER A 274 -2.894 -13.250 -8.971 1.00 0.00 H new ATOM 741 N ARG A 275 -0.299 -9.805 -9.801 1.00 0.00 N ATOM 742 CA ARG A 275 1.145 -9.872 -10.006 1.00 0.00 C ATOM 743 C ARG A 275 1.884 -9.068 -8.942 1.00 0.00 C ATOM 744 O ARG A 275 3.081 -9.254 -8.729 1.00 0.00 O ATOM 745 CB ARG A 275 1.508 -9.351 -11.398 1.00 0.00 C ATOM 746 CG ARG A 275 0.669 -9.955 -12.511 1.00 0.00 C ATOM 747 CD ARG A 275 0.493 -11.453 -12.327 1.00 0.00 C ATOM 748 NE ARG A 275 1.771 -12.136 -12.143 1.00 0.00 N ATOM 749 CZ ARG A 275 1.902 -13.293 -11.502 1.00 0.00 C ATOM 750 NH1 ARG A 275 0.837 -13.892 -10.988 1.00 0.00 N ATOM 751 NH2 ARG A 275 3.098 -13.851 -11.375 1.00 0.00 N ATOM 0 H ARG A 275 -0.825 -9.472 -10.609 1.00 0.00 H new ATOM 0 HA ARG A 275 1.450 -10.915 -9.924 1.00 0.00 H new ATOM 0 HB2 ARG A 275 1.391 -8.267 -11.413 1.00 0.00 H new ATOM 0 HB3 ARG A 275 2.560 -9.561 -11.592 1.00 0.00 H new ATOM 0 HG2 ARG A 275 -0.308 -9.473 -12.533 1.00 0.00 H new ATOM 0 HG3 ARG A 275 1.143 -9.759 -13.473 1.00 0.00 H new ATOM 0 HD2 ARG A 275 -0.145 -11.640 -11.463 1.00 0.00 H new ATOM 0 HD3 ARG A 275 -0.018 -11.867 -13.196 1.00 0.00 H new ATOM 0 HE ARG A 275 2.609 -11.701 -12.528 1.00 0.00 H new ATOM 0 HH11 ARG A 275 -0.084 -13.465 -11.084 1.00 0.00 H new ATOM 0 HH12 ARG A 275 0.939 -14.780 -10.496 1.00 0.00 H new ATOM 0 HH21 ARG A 275 3.919 -13.392 -11.769 1.00 0.00 H new ATOM 0 HH22 ARG A 275 3.197 -14.739 -10.883 1.00 0.00 H new ATOM 765 N HIS A 276 1.161 -8.176 -8.278 1.00 0.00 N ATOM 766 CA HIS A 276 1.743 -7.344 -7.236 1.00 0.00 C ATOM 767 C HIS A 276 1.931 -8.140 -5.942 1.00 0.00 C ATOM 768 O HIS A 276 2.258 -9.327 -5.975 1.00 0.00 O ATOM 769 CB HIS A 276 0.855 -6.124 -6.975 1.00 0.00 C ATOM 770 CG HIS A 276 -0.400 -6.447 -6.225 1.00 0.00 C ATOM 771 ND1 HIS A 276 -0.947 -7.714 -6.179 1.00 0.00 N ATOM 772 CD2 HIS A 276 -1.220 -5.660 -5.488 1.00 0.00 C ATOM 773 CE1 HIS A 276 -2.047 -7.689 -5.446 1.00 0.00 C ATOM 774 NE2 HIS A 276 -2.232 -6.456 -5.016 1.00 0.00 N ATOM 0 H HIS A 276 0.168 -8.011 -8.444 1.00 0.00 H new ATOM 0 HA HIS A 276 2.722 -7.007 -7.578 1.00 0.00 H new ATOM 0 HB2 HIS A 276 1.424 -5.384 -6.413 1.00 0.00 H new ATOM 0 HB3 HIS A 276 0.591 -5.666 -7.928 1.00 0.00 H new ATOM 0 HD2 HIS A 276 -1.099 -4.602 -5.306 1.00 0.00 H new ATOM 0 HE1 HIS A 276 -2.685 -8.534 -5.235 1.00 0.00 H new ATOM 0 HE2 HIS A 276 -3.004 -6.144 -4.427 1.00 0.00 H new ATOM 783 N GLN A 277 1.729 -7.475 -4.804 1.00 0.00 N ATOM 784 CA GLN A 277 1.882 -8.118 -3.504 1.00 0.00 C ATOM 785 C GLN A 277 3.329 -8.056 -3.034 1.00 0.00 C ATOM 786 O GLN A 277 3.648 -7.373 -2.063 1.00 0.00 O ATOM 787 CB GLN A 277 1.419 -9.575 -3.575 1.00 0.00 C ATOM 788 CG GLN A 277 0.575 -10.003 -2.385 1.00 0.00 C ATOM 789 CD GLN A 277 0.078 -11.430 -2.506 1.00 0.00 C ATOM 790 OE1 GLN A 277 0.639 -12.348 -1.907 1.00 0.00 O ATOM 791 NE2 GLN A 277 -0.981 -11.624 -3.284 1.00 0.00 N ATOM 0 H GLN A 277 1.459 -6.492 -4.759 1.00 0.00 H new ATOM 0 HA GLN A 277 1.262 -7.581 -2.786 1.00 0.00 H new ATOM 0 HB2 GLN A 277 0.844 -9.721 -4.489 1.00 0.00 H new ATOM 0 HB3 GLN A 277 2.293 -10.223 -3.642 1.00 0.00 H new ATOM 0 HG2 GLN A 277 1.163 -9.903 -1.473 1.00 0.00 H new ATOM 0 HG3 GLN A 277 -0.278 -9.332 -2.289 1.00 0.00 H new ATOM 0 HE21 GLN A 277 -1.415 -10.834 -3.762 1.00 0.00 H new ATOM 0 HE22 GLN A 277 -1.361 -12.563 -3.404 1.00 0.00 H new ATOM 800 N GLU A 278 4.204 -8.764 -3.736 1.00 0.00 N ATOM 801 CA GLU A 278 5.619 -8.780 -3.397 1.00 0.00 C ATOM 802 C GLU A 278 6.258 -7.423 -3.671 1.00 0.00 C ATOM 803 O GLU A 278 6.917 -6.850 -2.804 1.00 0.00 O ATOM 804 CB GLU A 278 6.343 -9.867 -4.194 1.00 0.00 C ATOM 805 CG GLU A 278 7.314 -10.687 -3.360 1.00 0.00 C ATOM 806 CD GLU A 278 8.636 -9.979 -3.139 1.00 0.00 C ATOM 807 OE1 GLU A 278 8.663 -9.002 -2.361 1.00 0.00 O ATOM 808 OE2 GLU A 278 9.644 -10.401 -3.744 1.00 0.00 O ATOM 0 H GLU A 278 3.957 -9.335 -4.544 1.00 0.00 H new ATOM 0 HA GLU A 278 5.710 -8.997 -2.333 1.00 0.00 H new ATOM 0 HB2 GLU A 278 5.604 -10.534 -4.637 1.00 0.00 H new ATOM 0 HB3 GLU A 278 6.886 -9.402 -5.017 1.00 0.00 H new ATOM 0 HG2 GLU A 278 6.860 -10.910 -2.395 1.00 0.00 H new ATOM 0 HG3 GLU A 278 7.496 -11.641 -3.854 1.00 0.00 H new ATOM 815 N GLN A 279 6.057 -6.914 -4.881 1.00 0.00 N ATOM 816 CA GLN A 279 6.614 -5.625 -5.271 1.00 0.00 C ATOM 817 C GLN A 279 5.804 -4.477 -4.674 1.00 0.00 C ATOM 818 O GLN A 279 6.356 -3.581 -4.034 1.00 0.00 O ATOM 819 CB GLN A 279 6.648 -5.501 -6.795 1.00 0.00 C ATOM 820 CG GLN A 279 7.048 -6.787 -7.500 1.00 0.00 C ATOM 821 CD GLN A 279 8.488 -6.769 -7.973 1.00 0.00 C ATOM 822 OE1 GLN A 279 9.385 -7.256 -7.286 1.00 0.00 O ATOM 823 NE2 GLN A 279 8.717 -6.204 -9.154 1.00 0.00 N ATOM 0 H GLN A 279 5.512 -7.375 -5.609 1.00 0.00 H new ATOM 0 HA GLN A 279 7.632 -5.566 -4.885 1.00 0.00 H new ATOM 0 HB2 GLN A 279 5.664 -5.193 -7.148 1.00 0.00 H new ATOM 0 HB3 GLN A 279 7.347 -4.712 -7.072 1.00 0.00 H new ATOM 0 HG2 GLN A 279 6.902 -7.629 -6.823 1.00 0.00 H new ATOM 0 HG3 GLN A 279 6.391 -6.948 -8.355 1.00 0.00 H new ATOM 0 HE21 GLN A 279 7.943 -5.812 -9.691 1.00 0.00 H new ATOM 0 HE22 GLN A 279 9.667 -6.162 -9.524 1.00 0.00 H new ATOM 832 N PHE A 280 4.491 -4.503 -4.898 1.00 0.00 N ATOM 833 CA PHE A 280 3.609 -3.457 -4.392 1.00 0.00 C ATOM 834 C PHE A 280 3.790 -3.273 -2.888 1.00 0.00 C ATOM 835 O PHE A 280 4.037 -2.164 -2.414 1.00 0.00 O ATOM 836 CB PHE A 280 2.149 -3.794 -4.704 1.00 0.00 C ATOM 837 CG PHE A 280 1.167 -2.869 -4.046 1.00 0.00 C ATOM 838 CD1 PHE A 280 1.040 -1.550 -4.473 1.00 0.00 C ATOM 839 CD2 PHE A 280 0.372 -3.311 -2.993 1.00 0.00 C ATOM 840 CE1 PHE A 280 0.139 -0.693 -3.862 1.00 0.00 C ATOM 841 CE2 PHE A 280 -0.531 -2.456 -2.381 1.00 0.00 C ATOM 842 CZ PHE A 280 -0.647 -1.146 -2.816 1.00 0.00 C ATOM 0 H PHE A 280 4.017 -5.236 -5.426 1.00 0.00 H new ATOM 0 HA PHE A 280 3.873 -2.523 -4.889 1.00 0.00 H new ATOM 0 HB2 PHE A 280 2.000 -3.762 -5.783 1.00 0.00 H new ATOM 0 HB3 PHE A 280 1.944 -4.816 -4.384 1.00 0.00 H new ATOM 0 HD1 PHE A 280 1.650 -1.191 -5.289 1.00 0.00 H new ATOM 0 HD2 PHE A 280 0.460 -4.331 -2.649 1.00 0.00 H new ATOM 0 HE1 PHE A 280 0.050 0.328 -4.202 1.00 0.00 H new ATOM 0 HE2 PHE A 280 -1.144 -2.811 -1.566 1.00 0.00 H new ATOM 0 HZ PHE A 280 -1.350 -0.479 -2.340 1.00 0.00 H new ATOM 852 N ILE A 281 3.671 -4.366 -2.142 1.00 0.00 N ATOM 853 CA ILE A 281 3.832 -4.322 -0.695 1.00 0.00 C ATOM 854 C ILE A 281 5.278 -4.040 -0.314 1.00 0.00 C ATOM 855 O ILE A 281 5.549 -3.371 0.683 1.00 0.00 O ATOM 856 CB ILE A 281 3.386 -5.639 -0.036 1.00 0.00 C ATOM 857 CG1 ILE A 281 2.023 -6.070 -0.579 1.00 0.00 C ATOM 858 CG2 ILE A 281 3.334 -5.484 1.475 1.00 0.00 C ATOM 859 CD1 ILE A 281 0.859 -5.355 0.071 1.00 0.00 C ATOM 0 H ILE A 281 3.464 -5.292 -2.516 1.00 0.00 H new ATOM 0 HA ILE A 281 3.198 -3.513 -0.332 1.00 0.00 H new ATOM 0 HB ILE A 281 4.114 -6.413 -0.277 1.00 0.00 H new ATOM 0 HG12 ILE A 281 1.996 -5.889 -1.654 1.00 0.00 H new ATOM 0 HG13 ILE A 281 1.906 -7.144 -0.433 1.00 0.00 H new ATOM 0 HG21 ILE A 281 3.017 -6.424 1.926 1.00 0.00 H new ATOM 0 HG22 ILE A 281 4.323 -5.218 1.848 1.00 0.00 H new ATOM 0 HG23 ILE A 281 2.625 -4.699 1.736 1.00 0.00 H new ATOM 0 HD11 ILE A 281 -0.075 -5.711 -0.363 1.00 0.00 H new ATOM 0 HD12 ILE A 281 0.861 -5.556 1.142 1.00 0.00 H new ATOM 0 HD13 ILE A 281 0.952 -4.282 -0.097 1.00 0.00 H new ATOM 871 N GLN A 282 6.207 -4.538 -1.126 1.00 0.00 N ATOM 872 CA GLN A 282 7.627 -4.322 -0.884 1.00 0.00 C ATOM 873 C GLN A 282 7.913 -2.847 -0.631 1.00 0.00 C ATOM 874 O GLN A 282 8.572 -2.490 0.346 1.00 0.00 O ATOM 875 CB GLN A 282 8.452 -4.819 -2.074 1.00 0.00 C ATOM 876 CG GLN A 282 9.826 -4.175 -2.175 1.00 0.00 C ATOM 877 CD GLN A 282 9.848 -2.993 -3.124 1.00 0.00 C ATOM 878 OE1 GLN A 282 9.559 -3.130 -4.312 1.00 0.00 O ATOM 879 NE2 GLN A 282 10.194 -1.822 -2.601 1.00 0.00 N ATOM 0 H GLN A 282 6.000 -5.093 -1.956 1.00 0.00 H new ATOM 0 HA GLN A 282 7.911 -4.887 0.004 1.00 0.00 H new ATOM 0 HB2 GLN A 282 8.572 -5.900 -1.996 1.00 0.00 H new ATOM 0 HB3 GLN A 282 7.901 -4.625 -2.994 1.00 0.00 H new ATOM 0 HG2 GLN A 282 10.143 -3.847 -1.185 1.00 0.00 H new ATOM 0 HG3 GLN A 282 10.548 -4.919 -2.511 1.00 0.00 H new ATOM 0 HE21 GLN A 282 10.426 -1.755 -1.610 1.00 0.00 H new ATOM 0 HE22 GLN A 282 10.228 -0.990 -3.190 1.00 0.00 H new ATOM 888 N MET A 283 7.402 -1.991 -1.511 1.00 0.00 N ATOM 889 CA MET A 283 7.590 -0.552 -1.376 1.00 0.00 C ATOM 890 C MET A 283 6.665 0.020 -0.306 1.00 0.00 C ATOM 891 O MET A 283 7.018 0.973 0.390 1.00 0.00 O ATOM 892 CB MET A 283 7.334 0.145 -2.715 1.00 0.00 C ATOM 893 CG MET A 283 5.968 -0.156 -3.306 1.00 0.00 C ATOM 894 SD MET A 283 4.662 0.866 -2.597 1.00 0.00 S ATOM 895 CE MET A 283 3.208 0.100 -3.308 1.00 0.00 C ATOM 0 H MET A 283 6.855 -2.270 -2.325 1.00 0.00 H new ATOM 0 HA MET A 283 8.621 -0.372 -1.072 1.00 0.00 H new ATOM 0 HB2 MET A 283 7.432 1.222 -2.579 1.00 0.00 H new ATOM 0 HB3 MET A 283 8.103 -0.158 -3.426 1.00 0.00 H new ATOM 0 HG2 MET A 283 6.001 0.000 -4.384 1.00 0.00 H new ATOM 0 HG3 MET A 283 5.730 -1.207 -3.143 1.00 0.00 H new ATOM 0 HE1 MET A 283 2.465 0.866 -3.530 1.00 0.00 H new ATOM 0 HE2 MET A 283 3.482 -0.417 -4.228 1.00 0.00 H new ATOM 0 HE3 MET A 283 2.791 -0.616 -2.600 1.00 0.00 H new ATOM 905 N LEU A 284 5.484 -0.583 -0.165 1.00 0.00 N ATOM 906 CA LEU A 284 4.516 -0.146 0.839 1.00 0.00 C ATOM 907 C LEU A 284 5.174 -0.026 2.208 1.00 0.00 C ATOM 908 O LEU A 284 4.677 0.675 3.085 1.00 0.00 O ATOM 909 CB LEU A 284 3.344 -1.126 0.908 1.00 0.00 C ATOM 910 CG LEU A 284 1.966 -0.478 1.068 1.00 0.00 C ATOM 911 CD1 LEU A 284 1.783 0.040 2.486 1.00 0.00 C ATOM 912 CD2 LEU A 284 1.786 0.646 0.058 1.00 0.00 C ATOM 0 H LEU A 284 5.176 -1.373 -0.732 1.00 0.00 H new ATOM 0 HA LEU A 284 4.142 0.835 0.547 1.00 0.00 H new ATOM 0 HB2 LEU A 284 3.341 -1.730 0.001 1.00 0.00 H new ATOM 0 HB3 LEU A 284 3.508 -1.806 1.744 1.00 0.00 H new ATOM 0 HG LEU A 284 1.204 -1.234 0.879 1.00 0.00 H new ATOM 0 HD11 LEU A 284 0.798 0.497 2.582 1.00 0.00 H new ATOM 0 HD12 LEU A 284 1.869 -0.788 3.190 1.00 0.00 H new ATOM 0 HD13 LEU A 284 2.551 0.782 2.704 1.00 0.00 H new ATOM 0 HD21 LEU A 284 0.801 1.096 0.186 1.00 0.00 H new ATOM 0 HD22 LEU A 284 2.554 1.403 0.216 1.00 0.00 H new ATOM 0 HD23 LEU A 284 1.874 0.245 -0.952 1.00 0.00 H new ATOM 924 N ASN A 285 6.303 -0.707 2.377 1.00 0.00 N ATOM 925 CA ASN A 285 7.045 -0.658 3.632 1.00 0.00 C ATOM 926 C ASN A 285 8.355 0.121 3.464 1.00 0.00 C ATOM 927 O ASN A 285 9.361 -0.195 4.100 1.00 0.00 O ATOM 928 CB ASN A 285 7.341 -2.074 4.128 1.00 0.00 C ATOM 929 CG ASN A 285 6.170 -3.016 3.922 1.00 0.00 C ATOM 930 OD1 ASN A 285 6.332 -4.123 3.409 1.00 0.00 O ATOM 931 ND2 ASN A 285 4.981 -2.579 4.320 1.00 0.00 N ATOM 0 H ASN A 285 6.724 -1.299 1.661 1.00 0.00 H new ATOM 0 HA ASN A 285 6.429 -0.143 4.369 1.00 0.00 H new ATOM 0 HB2 ASN A 285 8.214 -2.464 3.605 1.00 0.00 H new ATOM 0 HB3 ASN A 285 7.594 -2.039 5.188 1.00 0.00 H new ATOM 0 HD21 ASN A 285 4.156 -3.168 4.205 1.00 0.00 H new ATOM 0 HD22 ASN A 285 4.892 -1.654 4.741 1.00 0.00 H new ATOM 938 N GLU A 286 8.337 1.130 2.588 1.00 0.00 N ATOM 939 CA GLU A 286 9.531 1.939 2.323 1.00 0.00 C ATOM 940 C GLU A 286 10.370 2.105 3.592 1.00 0.00 C ATOM 941 O GLU A 286 9.886 2.604 4.607 1.00 0.00 O ATOM 942 CB GLU A 286 9.136 3.316 1.776 1.00 0.00 C ATOM 943 CG GLU A 286 8.393 4.184 2.782 1.00 0.00 C ATOM 944 CD GLU A 286 7.599 5.293 2.121 1.00 0.00 C ATOM 945 OE1 GLU A 286 7.692 5.433 0.883 1.00 0.00 O ATOM 946 OE2 GLU A 286 6.887 6.025 2.840 1.00 0.00 O ATOM 0 H GLU A 286 7.514 1.405 2.053 1.00 0.00 H new ATOM 0 HA GLU A 286 10.130 1.419 1.576 1.00 0.00 H new ATOM 0 HB2 GLU A 286 10.035 3.840 1.452 1.00 0.00 H new ATOM 0 HB3 GLU A 286 8.510 3.181 0.894 1.00 0.00 H new ATOM 0 HG2 GLU A 286 7.719 3.559 3.368 1.00 0.00 H new ATOM 0 HG3 GLU A 286 9.109 4.620 3.479 1.00 0.00 H new