USER MOD reduce.3.24.130724 H: found=0, std=0, add=461, rem=0, adj=2 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 Set 1.1: A 246 GLN : amide:sc= -0.689! C(o=-1.8!,f=-0.41!) USER MOD Set 1.2: A 250 GLN : amide:sc= -1.15! C(o=-1.8!,f=-0.41!) USER MOD Single : A 238 GLN : amide:sc= -0.598 X(o=-0.6,f=-0.23) USER MOD Single : A 240 GLN : amide:sc= -5.46! C(o=-5.5!,f=-11!) USER MOD Single : A 242 GLN : amide:sc= -0.0317 X(o=-0.032,f=-0.37) USER MOD Single : A 243 ASN : amide:sc= -1.1 X(o=-1.1,f=-1.6) USER MOD Single : A 244 MET CE :methyl -171:sc= -3.62! (180deg=-3.92) USER MOD Single : A 249 GLN : amide:sc= -1.02 X(o=-1,f=-1.3) USER MOD Single : A 251 ASN : amide:sc= -0.231 K(o=-0.23,f=-2.4!) USER MOD Single : A 260 GLN : amide:sc= -0.58 X(o=-0.58,f=-0.16) USER MOD Single : A 261 GLN : amide:sc= 0 K(o=0,f=-0.6) USER MOD Single : A 264 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 266 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 268 GLN : amide:sc= -2.07 K(o=-2.1,f=-0.93) USER MOD Single : A 271 GLN : amide:sc= -0.277 K(o=-0.28,f=-1.6!) USER MOD Single : A 272 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 274 SER OG : rot 180:sc= 0 USER MOD Single : A 276 HIS : no HD1:sc= -11.8! C(o=-12!,f=-12!) USER MOD Single : A 277 GLN : amide:sc= -7.69! C(o=-7.7!,f=-5.3!) USER MOD Single : A 279 GLN : amide:sc= -0.402 X(o=-0.4,f=-0.058) USER MOD Single : A 282 GLN : amide:sc= -0.0269 K(o=-0.027,f=-2.2!) USER MOD Single : A 283 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 285 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 29 N LEU A 232 -0.944 -3.032 -14.338 1.00 0.00 N ATOM 30 CA LEU A 232 -0.025 -2.593 -13.295 1.00 0.00 C ATOM 31 C LEU A 232 1.269 -2.078 -13.913 1.00 0.00 C ATOM 32 O LEU A 232 1.944 -1.222 -13.341 1.00 0.00 O ATOM 33 CB LEU A 232 0.274 -3.746 -12.328 1.00 0.00 C ATOM 34 CG LEU A 232 0.034 -3.457 -10.839 1.00 0.00 C ATOM 35 CD1 LEU A 232 1.306 -2.950 -10.180 1.00 0.00 C ATOM 36 CD2 LEU A 232 -1.100 -2.459 -10.650 1.00 0.00 C ATOM 0 HA LEU A 232 -0.494 -1.782 -12.738 1.00 0.00 H new ATOM 0 HB2 LEU A 232 -0.337 -4.602 -12.615 1.00 0.00 H new ATOM 0 HB3 LEU A 232 1.315 -4.041 -12.457 1.00 0.00 H new ATOM 0 HG LEU A 232 -0.256 -4.391 -10.359 1.00 0.00 H new ATOM 0 HD11 LEU A 232 1.115 -2.751 -9.125 1.00 0.00 H new ATOM 0 HD12 LEU A 232 2.088 -3.704 -10.271 1.00 0.00 H new ATOM 0 HD13 LEU A 232 1.628 -2.031 -10.670 1.00 0.00 H new ATOM 0 HD21 LEU A 232 -1.248 -2.273 -9.586 1.00 0.00 H new ATOM 0 HD22 LEU A 232 -0.849 -1.524 -11.150 1.00 0.00 H new ATOM 0 HD23 LEU A 232 -2.017 -2.865 -11.078 1.00 0.00 H new ATOM 48 N GLU A 233 1.606 -2.601 -15.089 1.00 0.00 N ATOM 49 CA GLU A 233 2.816 -2.188 -15.788 1.00 0.00 C ATOM 50 C GLU A 233 3.054 -0.695 -15.600 1.00 0.00 C ATOM 51 O GLU A 233 4.117 -0.277 -15.138 1.00 0.00 O ATOM 52 CB GLU A 233 2.709 -2.518 -17.278 1.00 0.00 C ATOM 53 CG GLU A 233 2.494 -3.998 -17.559 1.00 0.00 C ATOM 54 CD GLU A 233 3.729 -4.830 -17.275 1.00 0.00 C ATOM 55 OE1 GLU A 233 4.322 -4.663 -16.189 1.00 0.00 O ATOM 56 OE2 GLU A 233 4.105 -5.650 -18.140 1.00 0.00 O ATOM 0 H GLU A 233 1.058 -3.310 -15.576 1.00 0.00 H new ATOM 0 HA GLU A 233 3.660 -2.734 -15.367 1.00 0.00 H new ATOM 0 HB2 GLU A 233 1.884 -1.951 -17.709 1.00 0.00 H new ATOM 0 HB3 GLU A 233 3.619 -2.189 -17.781 1.00 0.00 H new ATOM 0 HG2 GLU A 233 1.666 -4.363 -16.951 1.00 0.00 H new ATOM 0 HG3 GLU A 233 2.205 -4.128 -18.602 1.00 0.00 H new ATOM 63 N PHE A 234 2.052 0.106 -15.948 1.00 0.00 N ATOM 64 CA PHE A 234 2.153 1.552 -15.802 1.00 0.00 C ATOM 65 C PHE A 234 2.245 1.921 -14.327 1.00 0.00 C ATOM 66 O PHE A 234 2.999 2.815 -13.942 1.00 0.00 O ATOM 67 CB PHE A 234 0.954 2.244 -16.460 1.00 0.00 C ATOM 68 CG PHE A 234 -0.203 2.460 -15.530 1.00 0.00 C ATOM 69 CD1 PHE A 234 -0.279 3.606 -14.756 1.00 0.00 C ATOM 70 CD2 PHE A 234 -1.210 1.516 -15.426 1.00 0.00 C ATOM 71 CE1 PHE A 234 -1.339 3.807 -13.896 1.00 0.00 C ATOM 72 CE2 PHE A 234 -2.272 1.711 -14.566 1.00 0.00 C ATOM 73 CZ PHE A 234 -2.336 2.858 -13.802 1.00 0.00 C ATOM 0 H PHE A 234 1.165 -0.221 -16.331 1.00 0.00 H new ATOM 0 HA PHE A 234 3.058 1.894 -16.304 1.00 0.00 H new ATOM 0 HB2 PHE A 234 1.275 3.207 -16.857 1.00 0.00 H new ATOM 0 HB3 PHE A 234 0.620 1.645 -17.308 1.00 0.00 H new ATOM 0 HD1 PHE A 234 0.500 4.351 -14.826 1.00 0.00 H new ATOM 0 HD2 PHE A 234 -1.164 0.618 -16.024 1.00 0.00 H new ATOM 0 HE1 PHE A 234 -1.388 4.705 -13.298 1.00 0.00 H new ATOM 0 HE2 PHE A 234 -3.051 0.967 -14.491 1.00 0.00 H new ATOM 0 HZ PHE A 234 -3.167 3.013 -13.130 1.00 0.00 H new ATOM 83 N LEU A 235 1.482 1.210 -13.504 1.00 0.00 N ATOM 84 CA LEU A 235 1.481 1.440 -12.067 1.00 0.00 C ATOM 85 C LEU A 235 2.860 1.149 -11.487 1.00 0.00 C ATOM 86 O LEU A 235 3.353 1.877 -10.625 1.00 0.00 O ATOM 87 CB LEU A 235 0.432 0.552 -11.391 1.00 0.00 C ATOM 88 CG LEU A 235 -0.467 1.262 -10.378 1.00 0.00 C ATOM 89 CD1 LEU A 235 0.237 1.392 -9.037 1.00 0.00 C ATOM 90 CD2 LEU A 235 -0.881 2.630 -10.899 1.00 0.00 C ATOM 0 H LEU A 235 0.854 0.467 -13.811 1.00 0.00 H new ATOM 0 HA LEU A 235 1.233 2.485 -11.881 1.00 0.00 H new ATOM 0 HB2 LEU A 235 -0.197 0.108 -12.163 1.00 0.00 H new ATOM 0 HB3 LEU A 235 0.944 -0.268 -10.887 1.00 0.00 H new ATOM 0 HG LEU A 235 -1.366 0.662 -10.236 1.00 0.00 H new ATOM 0 HD11 LEU A 235 -0.419 1.900 -8.330 1.00 0.00 H new ATOM 0 HD12 LEU A 235 0.482 0.400 -8.657 1.00 0.00 H new ATOM 0 HD13 LEU A 235 1.153 1.969 -9.161 1.00 0.00 H new ATOM 0 HD21 LEU A 235 -1.520 3.121 -10.165 1.00 0.00 H new ATOM 0 HD22 LEU A 235 0.007 3.238 -11.071 1.00 0.00 H new ATOM 0 HD23 LEU A 235 -1.427 2.513 -11.835 1.00 0.00 H new ATOM 102 N ARG A 236 3.479 0.078 -11.975 1.00 0.00 N ATOM 103 CA ARG A 236 4.805 -0.319 -11.519 1.00 0.00 C ATOM 104 C ARG A 236 5.855 0.686 -11.982 1.00 0.00 C ATOM 105 O ARG A 236 6.890 0.861 -11.340 1.00 0.00 O ATOM 106 CB ARG A 236 5.149 -1.716 -12.043 1.00 0.00 C ATOM 107 CG ARG A 236 4.407 -2.835 -11.329 1.00 0.00 C ATOM 108 CD ARG A 236 4.314 -4.087 -12.190 1.00 0.00 C ATOM 109 NE ARG A 236 5.557 -4.854 -12.175 1.00 0.00 N ATOM 110 CZ ARG A 236 6.554 -4.666 -13.035 1.00 0.00 C ATOM 111 NH1 ARG A 236 6.457 -3.742 -13.982 1.00 0.00 N ATOM 112 NH2 ARG A 236 7.651 -5.405 -12.948 1.00 0.00 N ATOM 0 H ARG A 236 3.081 -0.532 -12.689 1.00 0.00 H new ATOM 0 HA ARG A 236 4.801 -0.340 -10.429 1.00 0.00 H new ATOM 0 HB2 ARG A 236 4.920 -1.762 -13.108 1.00 0.00 H new ATOM 0 HB3 ARG A 236 6.222 -1.879 -11.940 1.00 0.00 H new ATOM 0 HG2 ARG A 236 4.917 -3.072 -10.395 1.00 0.00 H new ATOM 0 HG3 ARG A 236 3.404 -2.498 -11.067 1.00 0.00 H new ATOM 0 HD2 ARG A 236 3.497 -4.713 -11.832 1.00 0.00 H new ATOM 0 HD3 ARG A 236 4.074 -3.805 -13.215 1.00 0.00 H new ATOM 0 HE ARG A 236 5.667 -5.576 -11.463 1.00 0.00 H new ATOM 0 HH11 ARG A 236 5.615 -3.171 -14.053 1.00 0.00 H new ATOM 0 HH12 ARG A 236 7.225 -3.602 -14.639 1.00 0.00 H new ATOM 0 HH21 ARG A 236 7.730 -6.117 -12.222 1.00 0.00 H new ATOM 0 HH22 ARG A 236 8.416 -5.262 -13.607 1.00 0.00 H new ATOM 126 N ASP A 237 5.576 1.347 -13.101 1.00 0.00 N ATOM 127 CA ASP A 237 6.493 2.339 -13.653 1.00 0.00 C ATOM 128 C ASP A 237 6.407 3.649 -12.875 1.00 0.00 C ATOM 129 O ASP A 237 7.427 4.249 -12.536 1.00 0.00 O ATOM 130 CB ASP A 237 6.180 2.590 -15.130 1.00 0.00 C ATOM 131 CG ASP A 237 7.187 3.513 -15.786 1.00 0.00 C ATOM 132 OD1 ASP A 237 7.014 4.746 -15.687 1.00 0.00 O ATOM 133 OD2 ASP A 237 8.149 3.003 -16.398 1.00 0.00 O ATOM 0 H ASP A 237 4.723 1.214 -13.643 1.00 0.00 H new ATOM 0 HA ASP A 237 7.507 1.948 -13.565 1.00 0.00 H new ATOM 0 HB2 ASP A 237 6.163 1.639 -15.662 1.00 0.00 H new ATOM 0 HB3 ASP A 237 5.183 3.022 -15.219 1.00 0.00 H new ATOM 138 N GLN A 238 5.183 4.085 -12.599 1.00 0.00 N ATOM 139 CA GLN A 238 4.958 5.324 -11.861 1.00 0.00 C ATOM 140 C GLN A 238 5.335 5.158 -10.392 1.00 0.00 C ATOM 141 O GLN A 238 5.500 4.039 -9.908 1.00 0.00 O ATOM 142 CB GLN A 238 3.493 5.749 -11.978 1.00 0.00 C ATOM 143 CG GLN A 238 3.179 6.503 -13.259 1.00 0.00 C ATOM 144 CD GLN A 238 3.800 7.886 -13.290 1.00 0.00 C ATOM 145 OE1 GLN A 238 4.816 8.108 -13.948 1.00 0.00 O ATOM 146 NE2 GLN A 238 3.190 8.824 -12.575 1.00 0.00 N ATOM 0 H GLN A 238 4.330 3.599 -12.875 1.00 0.00 H new ATOM 0 HA GLN A 238 5.591 6.098 -12.294 1.00 0.00 H new ATOM 0 HB2 GLN A 238 2.861 4.863 -11.924 1.00 0.00 H new ATOM 0 HB3 GLN A 238 3.236 6.377 -11.125 1.00 0.00 H new ATOM 0 HG2 GLN A 238 3.539 5.928 -14.112 1.00 0.00 H new ATOM 0 HG3 GLN A 238 2.098 6.592 -13.368 1.00 0.00 H new ATOM 0 HE21 GLN A 238 2.350 8.595 -12.044 1.00 0.00 H new ATOM 0 HE22 GLN A 238 3.562 9.774 -12.556 1.00 0.00 H new ATOM 155 N PRO A 239 5.478 6.277 -9.662 1.00 0.00 N ATOM 156 CA PRO A 239 5.839 6.258 -8.244 1.00 0.00 C ATOM 157 C PRO A 239 4.644 5.973 -7.338 1.00 0.00 C ATOM 158 O PRO A 239 4.704 6.201 -6.130 1.00 0.00 O ATOM 159 CB PRO A 239 6.352 7.675 -8.012 1.00 0.00 C ATOM 160 CG PRO A 239 5.549 8.510 -8.948 1.00 0.00 C ATOM 161 CD PRO A 239 5.303 7.653 -10.166 1.00 0.00 C ATOM 0 HA PRO A 239 6.559 5.473 -8.012 1.00 0.00 H new ATOM 0 HB2 PRO A 239 6.209 7.986 -6.977 1.00 0.00 H new ATOM 0 HB3 PRO A 239 7.418 7.752 -8.224 1.00 0.00 H new ATOM 0 HG2 PRO A 239 4.608 8.815 -8.489 1.00 0.00 H new ATOM 0 HG3 PRO A 239 6.084 9.422 -9.214 1.00 0.00 H new ATOM 0 HD2 PRO A 239 4.303 7.808 -10.570 1.00 0.00 H new ATOM 0 HD3 PRO A 239 6.008 7.880 -10.965 1.00 0.00 H new ATOM 169 N GLN A 240 3.560 5.478 -7.925 1.00 0.00 N ATOM 170 CA GLN A 240 2.358 5.170 -7.163 1.00 0.00 C ATOM 171 C GLN A 240 2.717 4.495 -5.844 1.00 0.00 C ATOM 172 O GLN A 240 2.121 4.780 -4.806 1.00 0.00 O ATOM 173 CB GLN A 240 1.426 4.268 -7.976 1.00 0.00 C ATOM 174 CG GLN A 240 0.272 5.017 -8.622 1.00 0.00 C ATOM 175 CD GLN A 240 0.635 5.583 -9.982 1.00 0.00 C ATOM 176 OE1 GLN A 240 1.062 4.854 -10.876 1.00 0.00 O ATOM 177 NE2 GLN A 240 0.465 6.890 -10.143 1.00 0.00 N ATOM 0 H GLN A 240 3.490 5.282 -8.924 1.00 0.00 H new ATOM 0 HA GLN A 240 1.842 6.106 -6.947 1.00 0.00 H new ATOM 0 HB2 GLN A 240 2.004 3.767 -8.752 1.00 0.00 H new ATOM 0 HB3 GLN A 240 1.026 3.491 -7.325 1.00 0.00 H new ATOM 0 HG2 GLN A 240 -0.579 4.345 -8.727 1.00 0.00 H new ATOM 0 HG3 GLN A 240 -0.042 5.829 -7.966 1.00 0.00 H new ATOM 0 HE21 GLN A 240 0.108 7.456 -9.374 1.00 0.00 H new ATOM 0 HE22 GLN A 240 0.691 7.328 -11.036 1.00 0.00 H new ATOM 186 N PHE A 241 3.700 3.602 -5.892 1.00 0.00 N ATOM 187 CA PHE A 241 4.141 2.894 -4.695 1.00 0.00 C ATOM 188 C PHE A 241 4.755 3.865 -3.693 1.00 0.00 C ATOM 189 O PHE A 241 4.354 3.907 -2.532 1.00 0.00 O ATOM 190 CB PHE A 241 5.150 1.799 -5.048 1.00 0.00 C ATOM 191 CG PHE A 241 5.976 2.110 -6.259 1.00 0.00 C ATOM 192 CD1 PHE A 241 7.154 2.829 -6.146 1.00 0.00 C ATOM 193 CD2 PHE A 241 5.572 1.685 -7.514 1.00 0.00 C ATOM 194 CE1 PHE A 241 7.914 3.119 -7.261 1.00 0.00 C ATOM 195 CE2 PHE A 241 6.327 1.971 -8.633 1.00 0.00 C ATOM 196 CZ PHE A 241 7.499 2.689 -8.506 1.00 0.00 C ATOM 0 H PHE A 241 4.205 3.352 -6.742 1.00 0.00 H new ATOM 0 HA PHE A 241 3.267 2.426 -4.242 1.00 0.00 H new ATOM 0 HB2 PHE A 241 5.813 1.640 -4.198 1.00 0.00 H new ATOM 0 HB3 PHE A 241 4.615 0.864 -5.214 1.00 0.00 H new ATOM 0 HD1 PHE A 241 7.482 3.167 -5.174 1.00 0.00 H new ATOM 0 HD2 PHE A 241 4.655 1.123 -7.618 1.00 0.00 H new ATOM 0 HE1 PHE A 241 8.831 3.681 -7.160 1.00 0.00 H new ATOM 0 HE2 PHE A 241 6.002 1.634 -9.606 1.00 0.00 H new ATOM 0 HZ PHE A 241 8.092 2.915 -9.380 1.00 0.00 H new ATOM 206 N GLN A 242 5.726 4.649 -4.149 1.00 0.00 N ATOM 207 CA GLN A 242 6.386 5.622 -3.286 1.00 0.00 C ATOM 208 C GLN A 242 5.384 6.654 -2.778 1.00 0.00 C ATOM 209 O GLN A 242 5.234 6.844 -1.572 1.00 0.00 O ATOM 210 CB GLN A 242 7.519 6.320 -4.041 1.00 0.00 C ATOM 211 CG GLN A 242 8.140 7.475 -3.272 1.00 0.00 C ATOM 212 CD GLN A 242 8.697 8.549 -4.184 1.00 0.00 C ATOM 213 OE1 GLN A 242 8.017 9.019 -5.096 1.00 0.00 O ATOM 214 NE2 GLN A 242 9.941 8.944 -3.943 1.00 0.00 N ATOM 0 H GLN A 242 6.073 4.630 -5.108 1.00 0.00 H new ATOM 0 HA GLN A 242 6.805 5.093 -2.431 1.00 0.00 H new ATOM 0 HB2 GLN A 242 8.294 5.590 -4.273 1.00 0.00 H new ATOM 0 HB3 GLN A 242 7.137 6.691 -4.992 1.00 0.00 H new ATOM 0 HG2 GLN A 242 7.389 7.915 -2.615 1.00 0.00 H new ATOM 0 HG3 GLN A 242 8.938 7.095 -2.635 1.00 0.00 H new ATOM 0 HE21 GLN A 242 10.469 8.527 -3.176 1.00 0.00 H new ATOM 0 HE22 GLN A 242 10.369 9.664 -4.525 1.00 0.00 H new ATOM 223 N ASN A 243 4.693 7.314 -3.707 1.00 0.00 N ATOM 224 CA ASN A 243 3.700 8.321 -3.344 1.00 0.00 C ATOM 225 C ASN A 243 2.772 7.782 -2.261 1.00 0.00 C ATOM 226 O ASN A 243 2.789 8.249 -1.117 1.00 0.00 O ATOM 227 CB ASN A 243 2.886 8.733 -4.572 1.00 0.00 C ATOM 228 CG ASN A 243 3.705 9.533 -5.567 1.00 0.00 C ATOM 229 OD1 ASN A 243 4.793 10.012 -5.250 1.00 0.00 O ATOM 230 ND2 ASN A 243 3.184 9.682 -6.779 1.00 0.00 N ATOM 0 H ASN A 243 4.802 7.170 -4.711 1.00 0.00 H new ATOM 0 HA ASN A 243 4.221 9.197 -2.958 1.00 0.00 H new ATOM 0 HB2 ASN A 243 2.495 7.841 -5.061 1.00 0.00 H new ATOM 0 HB3 ASN A 243 2.027 9.324 -4.254 1.00 0.00 H new ATOM 0 HD21 ASN A 243 3.689 10.211 -7.490 1.00 0.00 H new ATOM 0 HD22 ASN A 243 2.278 9.268 -6.999 1.00 0.00 H new ATOM 237 N MET A 244 1.972 6.784 -2.625 1.00 0.00 N ATOM 238 CA MET A 244 1.047 6.164 -1.688 1.00 0.00 C ATOM 239 C MET A 244 1.750 5.855 -0.379 1.00 0.00 C ATOM 240 O MET A 244 1.289 6.233 0.695 1.00 0.00 O ATOM 241 CB MET A 244 0.496 4.865 -2.276 1.00 0.00 C ATOM 242 CG MET A 244 -0.595 5.077 -3.301 1.00 0.00 C ATOM 243 SD MET A 244 -0.483 3.925 -4.684 1.00 0.00 S ATOM 244 CE MET A 244 -1.310 4.857 -5.971 1.00 0.00 C ATOM 0 H MET A 244 1.947 6.388 -3.565 1.00 0.00 H new ATOM 0 HA MET A 244 0.228 6.860 -1.504 1.00 0.00 H new ATOM 0 HB2 MET A 244 1.313 4.310 -2.737 1.00 0.00 H new ATOM 0 HB3 MET A 244 0.107 4.246 -1.467 1.00 0.00 H new ATOM 0 HG2 MET A 244 -1.567 4.967 -2.820 1.00 0.00 H new ATOM 0 HG3 MET A 244 -0.540 6.098 -3.678 1.00 0.00 H new ATOM 0 HE1 MET A 244 -1.464 4.219 -6.841 1.00 0.00 H new ATOM 0 HE2 MET A 244 -2.274 5.208 -5.604 1.00 0.00 H new ATOM 0 HE3 MET A 244 -0.696 5.712 -6.253 1.00 0.00 H new ATOM 254 N ARG A 245 2.869 5.151 -0.492 1.00 0.00 N ATOM 255 CA ARG A 245 3.661 4.756 0.663 1.00 0.00 C ATOM 256 C ARG A 245 4.058 5.960 1.500 1.00 0.00 C ATOM 257 O ARG A 245 4.291 5.832 2.694 1.00 0.00 O ATOM 258 CB ARG A 245 4.911 4.000 0.211 1.00 0.00 C ATOM 259 CG ARG A 245 4.683 2.509 0.000 1.00 0.00 C ATOM 260 CD ARG A 245 3.329 2.225 -0.639 1.00 0.00 C ATOM 261 NE ARG A 245 3.388 1.095 -1.562 1.00 0.00 N ATOM 262 CZ ARG A 245 2.545 0.934 -2.576 1.00 0.00 C ATOM 263 NH1 ARG A 245 1.560 1.800 -2.764 1.00 0.00 N ATOM 264 NH2 ARG A 245 2.681 -0.098 -3.396 1.00 0.00 N ATOM 0 H ARG A 245 3.251 4.839 -1.385 1.00 0.00 H new ATOM 0 HA ARG A 245 3.047 4.102 1.282 1.00 0.00 H new ATOM 0 HB2 ARG A 245 5.273 4.438 -0.719 1.00 0.00 H new ATOM 0 HB3 ARG A 245 5.696 4.137 0.955 1.00 0.00 H new ATOM 0 HG2 ARG A 245 5.474 2.107 -0.633 1.00 0.00 H new ATOM 0 HG3 ARG A 245 4.748 1.993 0.958 1.00 0.00 H new ATOM 0 HD2 ARG A 245 2.596 2.019 0.141 1.00 0.00 H new ATOM 0 HD3 ARG A 245 2.986 3.112 -1.172 1.00 0.00 H new ATOM 0 HE ARG A 245 4.114 0.393 -1.421 1.00 0.00 H new ATOM 0 HH11 ARG A 245 1.449 2.591 -2.130 1.00 0.00 H new ATOM 0 HH12 ARG A 245 0.913 1.676 -3.543 1.00 0.00 H new ATOM 0 HH21 ARG A 245 3.434 -0.770 -3.249 1.00 0.00 H new ATOM 0 HH22 ARG A 245 2.033 -0.220 -4.174 1.00 0.00 H new ATOM 278 N GLN A 246 4.139 7.124 0.869 1.00 0.00 N ATOM 279 CA GLN A 246 4.516 8.342 1.576 1.00 0.00 C ATOM 280 C GLN A 246 3.387 8.825 2.478 1.00 0.00 C ATOM 281 O GLN A 246 3.533 8.866 3.702 1.00 0.00 O ATOM 282 CB GLN A 246 4.898 9.438 0.583 1.00 0.00 C ATOM 283 CG GLN A 246 6.382 9.766 0.581 1.00 0.00 C ATOM 284 CD GLN A 246 6.691 11.072 1.288 1.00 0.00 C ATOM 285 OE1 GLN A 246 6.820 12.119 0.653 1.00 0.00 O ATOM 286 NE2 GLN A 246 6.812 11.015 2.609 1.00 0.00 N ATOM 0 H GLN A 246 3.950 7.251 -0.125 1.00 0.00 H new ATOM 0 HA GLN A 246 5.379 8.113 2.201 1.00 0.00 H new ATOM 0 HB2 GLN A 246 4.601 9.128 -0.419 1.00 0.00 H new ATOM 0 HB3 GLN A 246 4.335 10.341 0.817 1.00 0.00 H new ATOM 0 HG2 GLN A 246 6.930 8.957 1.064 1.00 0.00 H new ATOM 0 HG3 GLN A 246 6.737 9.821 -0.448 1.00 0.00 H new ATOM 0 HE21 GLN A 246 6.697 10.125 3.094 1.00 0.00 H new ATOM 0 HE22 GLN A 246 7.020 11.861 3.139 1.00 0.00 H new ATOM 295 N VAL A 247 2.262 9.191 1.872 1.00 0.00 N ATOM 296 CA VAL A 247 1.114 9.672 2.634 1.00 0.00 C ATOM 297 C VAL A 247 0.822 8.747 3.811 1.00 0.00 C ATOM 298 O VAL A 247 0.641 9.198 4.942 1.00 0.00 O ATOM 299 CB VAL A 247 -0.144 9.785 1.753 1.00 0.00 C ATOM 300 CG1 VAL A 247 0.038 10.864 0.697 1.00 0.00 C ATOM 301 CG2 VAL A 247 -0.470 8.446 1.107 1.00 0.00 C ATOM 0 H VAL A 247 2.121 9.164 0.862 1.00 0.00 H new ATOM 0 HA VAL A 247 1.369 10.665 3.005 1.00 0.00 H new ATOM 0 HB VAL A 247 -0.983 10.068 2.388 1.00 0.00 H new ATOM 0 HG11 VAL A 247 -0.861 10.929 0.084 1.00 0.00 H new ATOM 0 HG12 VAL A 247 0.216 11.823 1.184 1.00 0.00 H new ATOM 0 HG13 VAL A 247 0.890 10.615 0.065 1.00 0.00 H new ATOM 0 HG21 VAL A 247 -1.362 8.548 0.489 1.00 0.00 H new ATOM 0 HG22 VAL A 247 0.367 8.128 0.486 1.00 0.00 H new ATOM 0 HG23 VAL A 247 -0.649 7.702 1.883 1.00 0.00 H new ATOM 311 N ILE A 248 0.784 7.449 3.532 1.00 0.00 N ATOM 312 CA ILE A 248 0.523 6.449 4.553 1.00 0.00 C ATOM 313 C ILE A 248 1.743 6.248 5.450 1.00 0.00 C ATOM 314 O ILE A 248 1.606 5.982 6.642 1.00 0.00 O ATOM 315 CB ILE A 248 0.111 5.098 3.925 1.00 0.00 C ATOM 316 CG1 ILE A 248 1.153 4.642 2.891 1.00 0.00 C ATOM 317 CG2 ILE A 248 -1.280 5.213 3.301 1.00 0.00 C ATOM 318 CD1 ILE A 248 0.563 3.967 1.661 1.00 0.00 C ATOM 0 H ILE A 248 0.932 7.065 2.599 1.00 0.00 H new ATOM 0 HA ILE A 248 -0.304 6.818 5.159 1.00 0.00 H new ATOM 0 HB ILE A 248 0.071 4.341 4.708 1.00 0.00 H new ATOM 0 HG12 ILE A 248 1.734 5.508 2.572 1.00 0.00 H new ATOM 0 HG13 ILE A 248 1.847 3.952 3.372 1.00 0.00 H new ATOM 0 HG21 ILE A 248 -1.562 4.256 2.861 1.00 0.00 H new ATOM 0 HG22 ILE A 248 -2.003 5.485 4.070 1.00 0.00 H new ATOM 0 HG23 ILE A 248 -1.269 5.979 2.526 1.00 0.00 H new ATOM 0 HD11 ILE A 248 1.367 3.677 0.984 1.00 0.00 H new ATOM 0 HD12 ILE A 248 0.007 3.080 1.964 1.00 0.00 H new ATOM 0 HD13 ILE A 248 -0.108 4.660 1.152 1.00 0.00 H new ATOM 330 N GLN A 249 2.938 6.391 4.876 1.00 0.00 N ATOM 331 CA GLN A 249 4.171 6.234 5.647 1.00 0.00 C ATOM 332 C GLN A 249 4.091 7.056 6.921 1.00 0.00 C ATOM 333 O GLN A 249 4.008 6.512 8.022 1.00 0.00 O ATOM 334 CB GLN A 249 5.390 6.663 4.821 1.00 0.00 C ATOM 335 CG GLN A 249 6.573 7.128 5.656 1.00 0.00 C ATOM 336 CD GLN A 249 7.684 7.721 4.812 1.00 0.00 C ATOM 337 OE1 GLN A 249 7.975 8.914 4.897 1.00 0.00 O ATOM 338 NE2 GLN A 249 8.310 6.887 3.989 1.00 0.00 N ATOM 0 H GLN A 249 3.078 6.613 3.890 1.00 0.00 H new ATOM 0 HA GLN A 249 4.285 5.181 5.904 1.00 0.00 H new ATOM 0 HB2 GLN A 249 5.706 5.827 4.197 1.00 0.00 H new ATOM 0 HB3 GLN A 249 5.095 7.468 4.149 1.00 0.00 H new ATOM 0 HG2 GLN A 249 6.234 7.871 6.378 1.00 0.00 H new ATOM 0 HG3 GLN A 249 6.965 6.285 6.226 1.00 0.00 H new ATOM 0 HE21 GLN A 249 8.035 5.905 3.952 1.00 0.00 H new ATOM 0 HE22 GLN A 249 9.065 7.228 3.395 1.00 0.00 H new ATOM 347 N GLN A 250 4.088 8.371 6.761 1.00 0.00 N ATOM 348 CA GLN A 250 3.985 9.266 7.898 1.00 0.00 C ATOM 349 C GLN A 250 2.552 9.258 8.403 1.00 0.00 C ATOM 350 O GLN A 250 2.296 9.057 9.589 1.00 0.00 O ATOM 351 CB GLN A 250 4.404 10.686 7.509 1.00 0.00 C ATOM 352 CG GLN A 250 5.665 10.735 6.661 1.00 0.00 C ATOM 353 CD GLN A 250 5.813 12.048 5.917 1.00 0.00 C ATOM 354 OE1 GLN A 250 6.136 12.069 4.729 1.00 0.00 O ATOM 355 NE2 GLN A 250 5.578 13.153 6.615 1.00 0.00 N ATOM 0 H GLN A 250 4.156 8.838 5.857 1.00 0.00 H new ATOM 0 HA GLN A 250 4.655 8.924 8.687 1.00 0.00 H new ATOM 0 HB2 GLN A 250 3.589 11.160 6.962 1.00 0.00 H new ATOM 0 HB3 GLN A 250 4.562 11.271 8.415 1.00 0.00 H new ATOM 0 HG2 GLN A 250 6.535 10.583 7.300 1.00 0.00 H new ATOM 0 HG3 GLN A 250 5.649 9.914 5.944 1.00 0.00 H new ATOM 0 HE21 GLN A 250 5.313 13.089 7.598 1.00 0.00 H new ATOM 0 HE22 GLN A 250 5.663 14.066 6.168 1.00 0.00 H new ATOM 364 N ASN A 251 1.620 9.458 7.476 1.00 0.00 N ATOM 365 CA ASN A 251 0.200 9.451 7.790 1.00 0.00 C ATOM 366 C ASN A 251 -0.448 8.109 7.431 1.00 0.00 C ATOM 367 O ASN A 251 -1.286 8.051 6.532 1.00 0.00 O ATOM 368 CB ASN A 251 -0.510 10.584 7.049 1.00 0.00 C ATOM 369 CG ASN A 251 -1.689 11.136 7.828 1.00 0.00 C ATOM 370 OD1 ASN A 251 -1.834 10.874 9.022 1.00 0.00 O ATOM 371 ND2 ASN A 251 -2.537 11.902 7.155 1.00 0.00 N ATOM 0 H ASN A 251 1.829 9.628 6.492 1.00 0.00 H new ATOM 0 HA ASN A 251 0.097 9.600 8.865 1.00 0.00 H new ATOM 0 HB2 ASN A 251 0.200 11.387 6.853 1.00 0.00 H new ATOM 0 HB3 ASN A 251 -0.856 10.221 6.081 1.00 0.00 H new ATOM 0 HD21 ASN A 251 -3.349 12.300 7.627 1.00 0.00 H new ATOM 0 HD22 ASN A 251 -2.377 12.093 6.166 1.00 0.00 H new ATOM 378 N PRO A 252 -0.094 7.009 8.127 1.00 0.00 N ATOM 379 CA PRO A 252 -0.677 5.684 7.858 1.00 0.00 C ATOM 380 C PRO A 252 -2.086 5.542 8.429 1.00 0.00 C ATOM 381 O PRO A 252 -2.560 4.431 8.669 1.00 0.00 O ATOM 382 CB PRO A 252 0.273 4.740 8.592 1.00 0.00 C ATOM 383 CG PRO A 252 0.767 5.547 9.740 1.00 0.00 C ATOM 384 CD PRO A 252 0.888 6.957 9.226 1.00 0.00 C ATOM 0 HA PRO A 252 -0.775 5.490 6.790 1.00 0.00 H new ATOM 0 HB2 PRO A 252 -0.241 3.839 8.929 1.00 0.00 H new ATOM 0 HB3 PRO A 252 1.092 4.418 7.949 1.00 0.00 H new ATOM 0 HG2 PRO A 252 0.076 5.495 10.581 1.00 0.00 H new ATOM 0 HG3 PRO A 252 1.729 5.176 10.094 1.00 0.00 H new ATOM 0 HD2 PRO A 252 0.661 7.688 10.002 1.00 0.00 H new ATOM 0 HD3 PRO A 252 1.897 7.170 8.873 1.00 0.00 H new ATOM 392 N ALA A 253 -2.743 6.671 8.661 1.00 0.00 N ATOM 393 CA ALA A 253 -4.090 6.677 9.223 1.00 0.00 C ATOM 394 C ALA A 253 -5.154 6.489 8.150 1.00 0.00 C ATOM 395 O ALA A 253 -6.223 5.939 8.411 1.00 0.00 O ATOM 396 CB ALA A 253 -4.348 7.963 9.993 1.00 0.00 C ATOM 0 H ALA A 253 -2.364 7.598 8.468 1.00 0.00 H new ATOM 0 HA ALA A 253 -4.154 5.833 9.909 1.00 0.00 H new ATOM 0 HB1 ALA A 253 -5.358 7.945 10.403 1.00 0.00 H new ATOM 0 HB2 ALA A 253 -3.628 8.051 10.806 1.00 0.00 H new ATOM 0 HB3 ALA A 253 -4.244 8.816 9.322 1.00 0.00 H new ATOM 402 N LEU A 254 -4.865 6.967 6.947 1.00 0.00 N ATOM 403 CA LEU A 254 -5.810 6.868 5.842 1.00 0.00 C ATOM 404 C LEU A 254 -5.801 5.477 5.218 1.00 0.00 C ATOM 405 O LEU A 254 -6.649 5.164 4.382 1.00 0.00 O ATOM 406 CB LEU A 254 -5.490 7.918 4.778 1.00 0.00 C ATOM 407 CG LEU A 254 -4.315 7.574 3.860 1.00 0.00 C ATOM 408 CD1 LEU A 254 -4.731 7.676 2.401 1.00 0.00 C ATOM 409 CD2 LEU A 254 -3.134 8.489 4.144 1.00 0.00 C ATOM 0 H LEU A 254 -3.985 7.426 6.711 1.00 0.00 H new ATOM 0 HA LEU A 254 -6.807 7.050 6.243 1.00 0.00 H new ATOM 0 HB2 LEU A 254 -6.377 8.073 4.164 1.00 0.00 H new ATOM 0 HB3 LEU A 254 -5.277 8.864 5.276 1.00 0.00 H new ATOM 0 HG LEU A 254 -4.010 6.546 4.059 1.00 0.00 H new ATOM 0 HD11 LEU A 254 -3.883 7.428 1.763 1.00 0.00 H new ATOM 0 HD12 LEU A 254 -5.548 6.981 2.206 1.00 0.00 H new ATOM 0 HD13 LEU A 254 -5.061 8.693 2.187 1.00 0.00 H new ATOM 0 HD21 LEU A 254 -2.307 8.231 3.483 1.00 0.00 H new ATOM 0 HD22 LEU A 254 -3.427 9.525 3.972 1.00 0.00 H new ATOM 0 HD23 LEU A 254 -2.821 8.368 5.181 1.00 0.00 H new ATOM 421 N LEU A 255 -4.842 4.646 5.615 1.00 0.00 N ATOM 422 CA LEU A 255 -4.749 3.298 5.065 1.00 0.00 C ATOM 423 C LEU A 255 -4.524 3.377 3.561 1.00 0.00 C ATOM 424 O LEU A 255 -5.193 4.148 2.876 1.00 0.00 O ATOM 425 CB LEU A 255 -6.045 2.525 5.363 1.00 0.00 C ATOM 426 CG LEU A 255 -6.079 1.057 4.914 1.00 0.00 C ATOM 427 CD1 LEU A 255 -5.850 0.933 3.415 1.00 0.00 C ATOM 428 CD2 LEU A 255 -5.059 0.236 5.686 1.00 0.00 C ATOM 0 H LEU A 255 -4.128 4.877 6.305 1.00 0.00 H new ATOM 0 HA LEU A 255 -3.911 2.775 5.526 1.00 0.00 H new ATOM 0 HB2 LEU A 255 -6.224 2.558 6.438 1.00 0.00 H new ATOM 0 HB3 LEU A 255 -6.873 3.048 4.885 1.00 0.00 H new ATOM 0 HG LEU A 255 -7.072 0.663 5.132 1.00 0.00 H new ATOM 0 HD11 LEU A 255 -5.880 -0.118 3.128 1.00 0.00 H new ATOM 0 HD12 LEU A 255 -6.630 1.477 2.882 1.00 0.00 H new ATOM 0 HD13 LEU A 255 -4.876 1.351 3.160 1.00 0.00 H new ATOM 0 HD21 LEU A 255 -5.099 -0.801 5.353 1.00 0.00 H new ATOM 0 HD22 LEU A 255 -4.061 0.636 5.508 1.00 0.00 H new ATOM 0 HD23 LEU A 255 -5.285 0.284 6.751 1.00 0.00 H new ATOM 440 N PRO A 256 -3.577 2.591 3.022 1.00 0.00 N ATOM 441 CA PRO A 256 -3.281 2.589 1.585 1.00 0.00 C ATOM 442 C PRO A 256 -4.484 2.166 0.748 1.00 0.00 C ATOM 443 O PRO A 256 -4.405 1.218 -0.035 1.00 0.00 O ATOM 444 CB PRO A 256 -2.152 1.563 1.444 1.00 0.00 C ATOM 445 CG PRO A 256 -2.235 0.729 2.677 1.00 0.00 C ATOM 446 CD PRO A 256 -2.719 1.652 3.759 1.00 0.00 C ATOM 0 HA PRO A 256 -3.014 3.584 1.229 1.00 0.00 H new ATOM 0 HB2 PRO A 256 -2.279 0.956 0.547 1.00 0.00 H new ATOM 0 HB3 PRO A 256 -1.181 2.052 1.363 1.00 0.00 H new ATOM 0 HG2 PRO A 256 -2.921 -0.107 2.539 1.00 0.00 H new ATOM 0 HG3 PRO A 256 -1.263 0.305 2.929 1.00 0.00 H new ATOM 0 HD2 PRO A 256 -3.273 1.117 4.530 1.00 0.00 H new ATOM 0 HD3 PRO A 256 -1.894 2.162 4.256 1.00 0.00 H new ATOM 454 N ALA A 257 -5.594 2.878 0.907 1.00 0.00 N ATOM 455 CA ALA A 257 -6.802 2.584 0.160 1.00 0.00 C ATOM 456 C ALA A 257 -6.516 2.665 -1.327 1.00 0.00 C ATOM 457 O ALA A 257 -7.181 2.022 -2.139 1.00 0.00 O ATOM 458 CB ALA A 257 -7.927 3.536 0.538 1.00 0.00 C ATOM 0 H ALA A 257 -5.678 3.665 1.550 1.00 0.00 H new ATOM 0 HA ALA A 257 -7.125 1.573 0.409 1.00 0.00 H new ATOM 0 HB1 ALA A 257 -8.820 3.291 -0.038 1.00 0.00 H new ATOM 0 HB2 ALA A 257 -8.144 3.439 1.602 1.00 0.00 H new ATOM 0 HB3 ALA A 257 -7.625 4.561 0.321 1.00 0.00 H new ATOM 464 N LEU A 258 -5.512 3.460 -1.674 1.00 0.00 N ATOM 465 CA LEU A 258 -5.125 3.622 -3.061 1.00 0.00 C ATOM 466 C LEU A 258 -5.155 2.275 -3.772 1.00 0.00 C ATOM 467 O LEU A 258 -5.635 2.159 -4.901 1.00 0.00 O ATOM 468 CB LEU A 258 -3.733 4.245 -3.161 1.00 0.00 C ATOM 469 CG LEU A 258 -3.710 5.776 -3.146 1.00 0.00 C ATOM 470 CD1 LEU A 258 -4.840 6.336 -3.997 1.00 0.00 C ATOM 471 CD2 LEU A 258 -3.806 6.294 -1.719 1.00 0.00 C ATOM 0 H LEU A 258 -4.954 4.000 -1.012 1.00 0.00 H new ATOM 0 HA LEU A 258 -5.836 4.292 -3.545 1.00 0.00 H new ATOM 0 HB2 LEU A 258 -3.126 3.879 -2.333 1.00 0.00 H new ATOM 0 HB3 LEU A 258 -3.261 3.898 -4.080 1.00 0.00 H new ATOM 0 HG LEU A 258 -2.764 6.112 -3.571 1.00 0.00 H new ATOM 0 HD11 LEU A 258 -4.807 7.425 -3.974 1.00 0.00 H new ATOM 0 HD12 LEU A 258 -4.727 5.991 -5.025 1.00 0.00 H new ATOM 0 HD13 LEU A 258 -5.797 5.993 -3.603 1.00 0.00 H new ATOM 0 HD21 LEU A 258 -3.788 7.384 -1.726 1.00 0.00 H new ATOM 0 HD22 LEU A 258 -4.737 5.949 -1.268 1.00 0.00 H new ATOM 0 HD23 LEU A 258 -2.962 5.921 -1.139 1.00 0.00 H new ATOM 483 N LEU A 259 -4.649 1.253 -3.089 1.00 0.00 N ATOM 484 CA LEU A 259 -4.624 -0.098 -3.633 1.00 0.00 C ATOM 485 C LEU A 259 -6.039 -0.653 -3.729 1.00 0.00 C ATOM 486 O LEU A 259 -6.375 -1.371 -4.671 1.00 0.00 O ATOM 487 CB LEU A 259 -3.759 -1.006 -2.756 1.00 0.00 C ATOM 488 CG LEU A 259 -4.046 -2.502 -2.892 1.00 0.00 C ATOM 489 CD1 LEU A 259 -5.265 -2.888 -2.070 1.00 0.00 C ATOM 490 CD2 LEU A 259 -4.246 -2.876 -4.353 1.00 0.00 C ATOM 0 H LEU A 259 -4.250 1.337 -2.154 1.00 0.00 H new ATOM 0 HA LEU A 259 -4.193 -0.064 -4.633 1.00 0.00 H new ATOM 0 HB2 LEU A 259 -2.711 -0.829 -2.999 1.00 0.00 H new ATOM 0 HB3 LEU A 259 -3.898 -0.718 -1.714 1.00 0.00 H new ATOM 0 HG LEU A 259 -3.186 -3.053 -2.511 1.00 0.00 H new ATOM 0 HD11 LEU A 259 -5.454 -3.956 -2.179 1.00 0.00 H new ATOM 0 HD12 LEU A 259 -5.084 -2.657 -1.020 1.00 0.00 H new ATOM 0 HD13 LEU A 259 -6.132 -2.328 -2.421 1.00 0.00 H new ATOM 0 HD21 LEU A 259 -4.449 -3.944 -4.431 1.00 0.00 H new ATOM 0 HD22 LEU A 259 -5.088 -2.316 -4.760 1.00 0.00 H new ATOM 0 HD23 LEU A 259 -3.344 -2.636 -4.917 1.00 0.00 H new ATOM 502 N GLN A 260 -6.867 -0.306 -2.749 1.00 0.00 N ATOM 503 CA GLN A 260 -8.252 -0.757 -2.720 1.00 0.00 C ATOM 504 C GLN A 260 -9.027 -0.164 -3.890 1.00 0.00 C ATOM 505 O GLN A 260 -9.813 -0.854 -4.539 1.00 0.00 O ATOM 506 CB GLN A 260 -8.915 -0.362 -1.399 1.00 0.00 C ATOM 507 CG GLN A 260 -9.979 -1.343 -0.935 1.00 0.00 C ATOM 508 CD GLN A 260 -9.404 -2.696 -0.566 1.00 0.00 C ATOM 509 OE1 GLN A 260 -9.921 -3.736 -0.976 1.00 0.00 O ATOM 510 NE2 GLN A 260 -8.328 -2.691 0.213 1.00 0.00 N ATOM 0 H GLN A 260 -6.601 0.287 -1.963 1.00 0.00 H new ATOM 0 HA GLN A 260 -8.262 -1.844 -2.806 1.00 0.00 H new ATOM 0 HB2 GLN A 260 -8.149 -0.279 -0.628 1.00 0.00 H new ATOM 0 HB3 GLN A 260 -9.365 0.625 -1.509 1.00 0.00 H new ATOM 0 HG2 GLN A 260 -10.500 -0.927 -0.073 1.00 0.00 H new ATOM 0 HG3 GLN A 260 -10.720 -1.470 -1.725 1.00 0.00 H new ATOM 0 HE21 GLN A 260 -7.932 -1.806 0.530 1.00 0.00 H new ATOM 0 HE22 GLN A 260 -7.898 -3.572 0.494 1.00 0.00 H new ATOM 519 N GLN A 261 -8.791 1.116 -4.159 1.00 0.00 N ATOM 520 CA GLN A 261 -9.458 1.800 -5.259 1.00 0.00 C ATOM 521 C GLN A 261 -8.976 1.245 -6.591 1.00 0.00 C ATOM 522 O GLN A 261 -9.713 1.233 -7.577 1.00 0.00 O ATOM 523 CB GLN A 261 -9.193 3.306 -5.190 1.00 0.00 C ATOM 524 CG GLN A 261 -10.360 4.102 -4.632 1.00 0.00 C ATOM 525 CD GLN A 261 -10.675 3.746 -3.193 1.00 0.00 C ATOM 526 OE1 GLN A 261 -9.889 4.020 -2.287 1.00 0.00 O ATOM 527 NE2 GLN A 261 -11.832 3.129 -2.976 1.00 0.00 N ATOM 0 H GLN A 261 -8.143 1.700 -3.630 1.00 0.00 H new ATOM 0 HA GLN A 261 -10.531 1.631 -5.174 1.00 0.00 H new ATOM 0 HB2 GLN A 261 -8.313 3.484 -4.571 1.00 0.00 H new ATOM 0 HB3 GLN A 261 -8.959 3.672 -6.190 1.00 0.00 H new ATOM 0 HG2 GLN A 261 -10.133 5.166 -4.698 1.00 0.00 H new ATOM 0 HG3 GLN A 261 -11.242 3.926 -5.247 1.00 0.00 H new ATOM 0 HE21 GLN A 261 -12.454 2.921 -3.758 1.00 0.00 H new ATOM 0 HE22 GLN A 261 -12.098 2.863 -2.028 1.00 0.00 H new ATOM 536 N LEU A 262 -7.731 0.779 -6.609 1.00 0.00 N ATOM 537 CA LEU A 262 -7.144 0.213 -7.816 1.00 0.00 C ATOM 538 C LEU A 262 -7.718 -1.173 -8.098 1.00 0.00 C ATOM 539 O LEU A 262 -8.186 -1.449 -9.202 1.00 0.00 O ATOM 540 CB LEU A 262 -5.622 0.132 -7.675 1.00 0.00 C ATOM 541 CG LEU A 262 -4.887 1.461 -7.852 1.00 0.00 C ATOM 542 CD1 LEU A 262 -3.564 1.444 -7.100 1.00 0.00 C ATOM 543 CD2 LEU A 262 -4.661 1.752 -9.328 1.00 0.00 C ATOM 0 H LEU A 262 -7.110 0.783 -5.800 1.00 0.00 H new ATOM 0 HA LEU A 262 -7.389 0.865 -8.654 1.00 0.00 H new ATOM 0 HB2 LEU A 262 -5.384 -0.270 -6.690 1.00 0.00 H new ATOM 0 HB3 LEU A 262 -5.241 -0.578 -8.409 1.00 0.00 H new ATOM 0 HG LEU A 262 -5.507 2.256 -7.436 1.00 0.00 H new ATOM 0 HD11 LEU A 262 -3.055 2.398 -7.238 1.00 0.00 H new ATOM 0 HD12 LEU A 262 -3.751 1.282 -6.038 1.00 0.00 H new ATOM 0 HD13 LEU A 262 -2.937 0.640 -7.485 1.00 0.00 H new ATOM 0 HD21 LEU A 262 -4.137 2.702 -9.436 1.00 0.00 H new ATOM 0 HD22 LEU A 262 -4.062 0.955 -9.768 1.00 0.00 H new ATOM 0 HD23 LEU A 262 -5.622 1.808 -9.839 1.00 0.00 H new ATOM 555 N GLY A 263 -7.686 -2.039 -7.089 1.00 0.00 N ATOM 556 CA GLY A 263 -8.213 -3.383 -7.250 1.00 0.00 C ATOM 557 C GLY A 263 -9.721 -3.386 -7.385 1.00 0.00 C ATOM 558 O GLY A 263 -10.296 -4.273 -8.017 1.00 0.00 O ATOM 0 H GLY A 263 -7.306 -1.835 -6.165 1.00 0.00 H new ATOM 0 HA2 GLY A 263 -7.769 -3.844 -8.132 1.00 0.00 H new ATOM 0 HA3 GLY A 263 -7.924 -3.991 -6.393 1.00 0.00 H new ATOM 562 N GLN A 264 -10.360 -2.383 -6.794 1.00 0.00 N ATOM 563 CA GLN A 264 -11.810 -2.256 -6.853 1.00 0.00 C ATOM 564 C GLN A 264 -12.225 -1.589 -8.157 1.00 0.00 C ATOM 565 O GLN A 264 -13.158 -2.031 -8.829 1.00 0.00 O ATOM 566 CB GLN A 264 -12.325 -1.440 -5.665 1.00 0.00 C ATOM 567 CG GLN A 264 -12.412 -2.234 -4.373 1.00 0.00 C ATOM 568 CD GLN A 264 -13.583 -1.810 -3.507 1.00 0.00 C ATOM 569 OE1 GLN A 264 -14.656 -2.410 -3.558 1.00 0.00 O ATOM 570 NE2 GLN A 264 -13.382 -0.768 -2.709 1.00 0.00 N ATOM 0 H GLN A 264 -9.894 -1.644 -6.267 1.00 0.00 H new ATOM 0 HA GLN A 264 -12.246 -3.254 -6.808 1.00 0.00 H new ATOM 0 HB2 GLN A 264 -11.669 -0.583 -5.512 1.00 0.00 H new ATOM 0 HB3 GLN A 264 -13.312 -1.046 -5.906 1.00 0.00 H new ATOM 0 HG2 GLN A 264 -12.503 -3.294 -4.608 1.00 0.00 H new ATOM 0 HG3 GLN A 264 -11.486 -2.110 -3.812 1.00 0.00 H new ATOM 0 HE21 GLN A 264 -12.476 -0.300 -2.699 1.00 0.00 H new ATOM 0 HE22 GLN A 264 -14.134 -0.435 -2.106 1.00 0.00 H new ATOM 579 N GLU A 265 -11.514 -0.525 -8.511 1.00 0.00 N ATOM 580 CA GLU A 265 -11.788 0.210 -9.737 1.00 0.00 C ATOM 581 C GLU A 265 -11.998 -0.751 -10.899 1.00 0.00 C ATOM 582 O GLU A 265 -13.103 -0.871 -11.428 1.00 0.00 O ATOM 583 CB GLU A 265 -10.631 1.171 -10.038 1.00 0.00 C ATOM 584 CG GLU A 265 -10.427 1.455 -11.520 1.00 0.00 C ATOM 585 CD GLU A 265 -11.717 1.822 -12.226 1.00 0.00 C ATOM 586 OE1 GLU A 265 -12.798 1.625 -11.632 1.00 0.00 O ATOM 587 OE2 GLU A 265 -11.647 2.309 -13.374 1.00 0.00 O ATOM 0 H GLU A 265 -10.740 -0.152 -7.962 1.00 0.00 H new ATOM 0 HA GLU A 265 -12.702 0.789 -9.604 1.00 0.00 H new ATOM 0 HB2 GLU A 265 -10.811 2.113 -9.520 1.00 0.00 H new ATOM 0 HB3 GLU A 265 -9.711 0.754 -9.629 1.00 0.00 H new ATOM 0 HG2 GLU A 265 -9.710 2.268 -11.635 1.00 0.00 H new ATOM 0 HG3 GLU A 265 -9.993 0.577 -11.998 1.00 0.00 H new ATOM 594 N ASN A 266 -10.932 -1.435 -11.290 1.00 0.00 N ATOM 595 CA ASN A 266 -11.001 -2.388 -12.388 1.00 0.00 C ATOM 596 C ASN A 266 -11.037 -3.818 -11.864 1.00 0.00 C ATOM 597 O ASN A 266 -10.043 -4.324 -11.344 1.00 0.00 O ATOM 598 CB ASN A 266 -9.808 -2.203 -13.327 1.00 0.00 C ATOM 599 CG ASN A 266 -10.231 -1.845 -14.738 1.00 0.00 C ATOM 600 OD1 ASN A 266 -10.755 -0.760 -14.985 1.00 0.00 O ATOM 601 ND2 ASN A 266 -10.007 -2.761 -15.674 1.00 0.00 N ATOM 0 H ASN A 266 -10.010 -1.348 -10.863 1.00 0.00 H new ATOM 0 HA ASN A 266 -11.921 -2.201 -12.942 1.00 0.00 H new ATOM 0 HB2 ASN A 266 -9.160 -1.419 -12.935 1.00 0.00 H new ATOM 0 HB3 ASN A 266 -9.221 -3.121 -13.349 1.00 0.00 H new ATOM 0 HD21 ASN A 266 -10.272 -2.577 -16.642 1.00 0.00 H new ATOM 0 HD22 ASN A 266 -9.570 -3.648 -15.425 1.00 0.00 H new ATOM 608 N PRO A 267 -12.188 -4.491 -11.999 1.00 0.00 N ATOM 609 CA PRO A 267 -12.351 -5.871 -11.541 1.00 0.00 C ATOM 610 C PRO A 267 -11.187 -6.756 -11.973 1.00 0.00 C ATOM 611 O PRO A 267 -10.916 -7.789 -11.362 1.00 0.00 O ATOM 612 CB PRO A 267 -13.646 -6.313 -12.222 1.00 0.00 C ATOM 613 CG PRO A 267 -14.428 -5.056 -12.387 1.00 0.00 C ATOM 614 CD PRO A 267 -13.419 -3.960 -12.613 1.00 0.00 C ATOM 0 HA PRO A 267 -12.380 -5.948 -10.454 1.00 0.00 H new ATOM 0 HB2 PRO A 267 -13.447 -6.786 -13.184 1.00 0.00 H new ATOM 0 HB3 PRO A 267 -14.186 -7.040 -11.615 1.00 0.00 H new ATOM 0 HG2 PRO A 267 -15.115 -5.133 -13.230 1.00 0.00 H new ATOM 0 HG3 PRO A 267 -15.031 -4.854 -11.502 1.00 0.00 H new ATOM 0 HD2 PRO A 267 -13.281 -3.754 -13.675 1.00 0.00 H new ATOM 0 HD3 PRO A 267 -13.730 -3.026 -12.145 1.00 0.00 H new ATOM 622 N GLN A 268 -10.499 -6.337 -13.030 1.00 0.00 N ATOM 623 CA GLN A 268 -9.360 -7.082 -13.547 1.00 0.00 C ATOM 624 C GLN A 268 -8.051 -6.546 -12.973 1.00 0.00 C ATOM 625 O GLN A 268 -7.013 -7.203 -13.049 1.00 0.00 O ATOM 626 CB GLN A 268 -9.328 -7.008 -15.075 1.00 0.00 C ATOM 627 CG GLN A 268 -10.347 -7.913 -15.749 1.00 0.00 C ATOM 628 CD GLN A 268 -11.772 -7.595 -15.338 1.00 0.00 C ATOM 629 OE1 GLN A 268 -12.560 -8.494 -15.046 1.00 0.00 O ATOM 630 NE2 GLN A 268 -12.109 -6.310 -15.315 1.00 0.00 N ATOM 0 H GLN A 268 -10.712 -5.483 -13.545 1.00 0.00 H new ATOM 0 HA GLN A 268 -9.470 -8.123 -13.242 1.00 0.00 H new ATOM 0 HB2 GLN A 268 -9.508 -5.978 -15.385 1.00 0.00 H new ATOM 0 HB3 GLN A 268 -8.330 -7.276 -15.423 1.00 0.00 H new ATOM 0 HG2 GLN A 268 -10.255 -7.816 -16.831 1.00 0.00 H new ATOM 0 HG3 GLN A 268 -10.125 -8.951 -15.502 1.00 0.00 H new ATOM 0 HE21 GLN A 268 -11.423 -5.598 -15.565 1.00 0.00 H new ATOM 0 HE22 GLN A 268 -13.054 -6.035 -15.047 1.00 0.00 H new ATOM 639 N LEU A 269 -8.109 -5.346 -12.402 1.00 0.00 N ATOM 640 CA LEU A 269 -6.926 -4.721 -11.819 1.00 0.00 C ATOM 641 C LEU A 269 -6.389 -5.547 -10.656 1.00 0.00 C ATOM 642 O LEU A 269 -5.184 -5.762 -10.541 1.00 0.00 O ATOM 643 CB LEU A 269 -7.247 -3.301 -11.348 1.00 0.00 C ATOM 644 CG LEU A 269 -6.175 -2.259 -11.675 1.00 0.00 C ATOM 645 CD1 LEU A 269 -6.543 -1.492 -12.935 1.00 0.00 C ATOM 646 CD2 LEU A 269 -5.983 -1.305 -10.507 1.00 0.00 C ATOM 0 H LEU A 269 -8.960 -4.788 -12.331 1.00 0.00 H new ATOM 0 HA LEU A 269 -6.158 -4.673 -12.591 1.00 0.00 H new ATOM 0 HB2 LEU A 269 -8.188 -2.988 -11.800 1.00 0.00 H new ATOM 0 HB3 LEU A 269 -7.401 -3.317 -10.269 1.00 0.00 H new ATOM 0 HG LEU A 269 -5.234 -2.779 -11.852 1.00 0.00 H new ATOM 0 HD11 LEU A 269 -5.769 -0.756 -13.152 1.00 0.00 H new ATOM 0 HD12 LEU A 269 -6.628 -2.186 -13.771 1.00 0.00 H new ATOM 0 HD13 LEU A 269 -7.496 -0.984 -12.786 1.00 0.00 H new ATOM 0 HD21 LEU A 269 -5.217 -0.572 -10.758 1.00 0.00 H new ATOM 0 HD22 LEU A 269 -6.922 -0.792 -10.298 1.00 0.00 H new ATOM 0 HD23 LEU A 269 -5.672 -1.866 -9.626 1.00 0.00 H new ATOM 658 N LEU A 270 -7.289 -6.012 -9.796 1.00 0.00 N ATOM 659 CA LEU A 270 -6.896 -6.818 -8.646 1.00 0.00 C ATOM 660 C LEU A 270 -6.200 -8.097 -9.099 1.00 0.00 C ATOM 661 O LEU A 270 -5.054 -8.358 -8.731 1.00 0.00 O ATOM 662 CB LEU A 270 -8.118 -7.160 -7.791 1.00 0.00 C ATOM 663 CG LEU A 270 -7.818 -7.427 -6.314 1.00 0.00 C ATOM 664 CD1 LEU A 270 -8.878 -6.791 -5.432 1.00 0.00 C ATOM 665 CD2 LEU A 270 -7.728 -8.923 -6.051 1.00 0.00 C ATOM 0 H LEU A 270 -8.292 -5.845 -9.873 1.00 0.00 H new ATOM 0 HA LEU A 270 -6.198 -6.236 -8.044 1.00 0.00 H new ATOM 0 HB2 LEU A 270 -8.832 -6.339 -7.859 1.00 0.00 H new ATOM 0 HB3 LEU A 270 -8.603 -8.040 -8.213 1.00 0.00 H new ATOM 0 HG LEU A 270 -6.855 -6.977 -6.070 1.00 0.00 H new ATOM 0 HD11 LEU A 270 -8.648 -6.991 -4.385 1.00 0.00 H new ATOM 0 HD12 LEU A 270 -8.894 -5.714 -5.601 1.00 0.00 H new ATOM 0 HD13 LEU A 270 -9.854 -7.211 -5.676 1.00 0.00 H new ATOM 0 HD21 LEU A 270 -7.514 -9.095 -4.996 1.00 0.00 H new ATOM 0 HD22 LEU A 270 -8.675 -9.396 -6.311 1.00 0.00 H new ATOM 0 HD23 LEU A 270 -6.930 -9.352 -6.657 1.00 0.00 H new ATOM 677 N GLN A 271 -6.900 -8.889 -9.906 1.00 0.00 N ATOM 678 CA GLN A 271 -6.347 -10.136 -10.414 1.00 0.00 C ATOM 679 C GLN A 271 -4.948 -9.912 -10.976 1.00 0.00 C ATOM 680 O GLN A 271 -3.961 -10.411 -10.434 1.00 0.00 O ATOM 681 CB GLN A 271 -7.256 -10.722 -11.495 1.00 0.00 C ATOM 682 CG GLN A 271 -7.496 -12.215 -11.342 1.00 0.00 C ATOM 683 CD GLN A 271 -8.966 -12.582 -11.421 1.00 0.00 C ATOM 684 OE1 GLN A 271 -9.838 -11.775 -11.098 1.00 0.00 O ATOM 685 NE2 GLN A 271 -9.248 -13.807 -11.849 1.00 0.00 N ATOM 0 H GLN A 271 -7.849 -8.688 -10.221 1.00 0.00 H new ATOM 0 HA GLN A 271 -6.283 -10.843 -9.586 1.00 0.00 H new ATOM 0 HB2 GLN A 271 -8.215 -10.204 -11.472 1.00 0.00 H new ATOM 0 HB3 GLN A 271 -6.814 -10.532 -12.473 1.00 0.00 H new ATOM 0 HG2 GLN A 271 -6.950 -12.748 -12.120 1.00 0.00 H new ATOM 0 HG3 GLN A 271 -7.093 -12.548 -10.385 1.00 0.00 H new ATOM 0 HE21 GLN A 271 -8.494 -14.444 -12.106 1.00 0.00 H new ATOM 0 HE22 GLN A 271 -10.219 -14.111 -11.920 1.00 0.00 H new ATOM 694 N GLN A 272 -4.870 -9.152 -12.063 1.00 0.00 N ATOM 695 CA GLN A 272 -3.590 -8.855 -12.696 1.00 0.00 C ATOM 696 C GLN A 272 -2.604 -8.302 -11.674 1.00 0.00 C ATOM 697 O GLN A 272 -1.431 -8.674 -11.663 1.00 0.00 O ATOM 698 CB GLN A 272 -3.780 -7.854 -13.838 1.00 0.00 C ATOM 699 CG GLN A 272 -4.859 -8.258 -14.827 1.00 0.00 C ATOM 700 CD GLN A 272 -4.291 -8.881 -16.088 1.00 0.00 C ATOM 701 OE1 GLN A 272 -3.856 -10.032 -16.083 1.00 0.00 O ATOM 702 NE2 GLN A 272 -4.293 -8.120 -17.177 1.00 0.00 N ATOM 0 H GLN A 272 -5.677 -8.731 -12.524 1.00 0.00 H new ATOM 0 HA GLN A 272 -3.186 -9.781 -13.104 1.00 0.00 H new ATOM 0 HB2 GLN A 272 -4.030 -6.880 -13.418 1.00 0.00 H new ATOM 0 HB3 GLN A 272 -2.836 -7.739 -14.370 1.00 0.00 H new ATOM 0 HG2 GLN A 272 -5.537 -8.966 -14.350 1.00 0.00 H new ATOM 0 HG3 GLN A 272 -5.449 -7.381 -15.093 1.00 0.00 H new ATOM 0 HE21 GLN A 272 -4.664 -7.171 -17.135 1.00 0.00 H new ATOM 0 HE22 GLN A 272 -3.924 -8.485 -18.055 1.00 0.00 H new ATOM 711 N ILE A 273 -3.091 -7.417 -10.810 1.00 0.00 N ATOM 712 CA ILE A 273 -2.253 -6.821 -9.779 1.00 0.00 C ATOM 713 C ILE A 273 -1.500 -7.910 -9.017 1.00 0.00 C ATOM 714 O ILE A 273 -0.367 -7.704 -8.582 1.00 0.00 O ATOM 715 CB ILE A 273 -3.096 -5.961 -8.802 1.00 0.00 C ATOM 716 CG1 ILE A 273 -3.234 -4.537 -9.345 1.00 0.00 C ATOM 717 CG2 ILE A 273 -2.486 -5.933 -7.405 1.00 0.00 C ATOM 718 CD1 ILE A 273 -4.322 -3.732 -8.667 1.00 0.00 C ATOM 0 H ILE A 273 -4.060 -7.098 -10.804 1.00 0.00 H new ATOM 0 HA ILE A 273 -1.530 -6.166 -10.265 1.00 0.00 H new ATOM 0 HB ILE A 273 -4.083 -6.417 -8.723 1.00 0.00 H new ATOM 0 HG12 ILE A 273 -2.283 -4.018 -9.227 1.00 0.00 H new ATOM 0 HG13 ILE A 273 -3.441 -4.583 -10.414 1.00 0.00 H new ATOM 0 HG21 ILE A 273 -3.105 -5.320 -6.750 1.00 0.00 H new ATOM 0 HG22 ILE A 273 -2.434 -6.948 -7.010 1.00 0.00 H new ATOM 0 HG23 ILE A 273 -1.482 -5.511 -7.455 1.00 0.00 H new ATOM 0 HD11 ILE A 273 -4.362 -2.734 -9.103 1.00 0.00 H new ATOM 0 HD12 ILE A 273 -5.283 -4.228 -8.807 1.00 0.00 H new ATOM 0 HD13 ILE A 273 -4.106 -3.654 -7.601 1.00 0.00 H new ATOM 730 N SER A 274 -2.135 -9.069 -8.871 1.00 0.00 N ATOM 731 CA SER A 274 -1.519 -10.191 -8.172 1.00 0.00 C ATOM 732 C SER A 274 -0.024 -10.246 -8.472 1.00 0.00 C ATOM 733 O SER A 274 0.773 -10.665 -7.633 1.00 0.00 O ATOM 734 CB SER A 274 -2.184 -11.506 -8.585 1.00 0.00 C ATOM 735 OG SER A 274 -1.916 -12.530 -7.643 1.00 0.00 O ATOM 0 H SER A 274 -3.073 -9.255 -9.226 1.00 0.00 H new ATOM 0 HA SER A 274 -1.658 -10.048 -7.100 1.00 0.00 H new ATOM 0 HB2 SER A 274 -3.261 -11.361 -8.673 1.00 0.00 H new ATOM 0 HB3 SER A 274 -1.822 -11.808 -9.568 1.00 0.00 H new ATOM 0 HG SER A 274 -2.353 -13.360 -7.928 1.00 0.00 H new ATOM 741 N ARG A 275 0.345 -9.816 -9.675 1.00 0.00 N ATOM 742 CA ARG A 275 1.744 -9.808 -10.092 1.00 0.00 C ATOM 743 C ARG A 275 2.585 -8.955 -9.150 1.00 0.00 C ATOM 744 O ARG A 275 3.429 -9.468 -8.415 1.00 0.00 O ATOM 745 CB ARG A 275 1.868 -9.272 -11.520 1.00 0.00 C ATOM 746 CG ARG A 275 1.567 -10.308 -12.590 1.00 0.00 C ATOM 747 CD ARG A 275 2.191 -11.652 -12.252 1.00 0.00 C ATOM 748 NE ARG A 275 3.578 -11.515 -11.819 1.00 0.00 N ATOM 749 CZ ARG A 275 4.278 -12.502 -11.268 1.00 0.00 C ATOM 750 NH1 ARG A 275 3.722 -13.691 -11.088 1.00 0.00 N ATOM 751 NH2 ARG A 275 5.536 -12.299 -10.899 1.00 0.00 N ATOM 0 H ARG A 275 -0.306 -9.468 -10.379 1.00 0.00 H new ATOM 0 HA ARG A 275 2.113 -10.833 -10.059 1.00 0.00 H new ATOM 0 HB2 ARG A 275 1.189 -8.429 -11.642 1.00 0.00 H new ATOM 0 HB3 ARG A 275 2.878 -8.892 -11.669 1.00 0.00 H new ATOM 0 HG2 ARG A 275 0.488 -10.422 -12.695 1.00 0.00 H new ATOM 0 HG3 ARG A 275 1.946 -9.961 -13.551 1.00 0.00 H new ATOM 0 HD2 ARG A 275 1.611 -12.134 -11.465 1.00 0.00 H new ATOM 0 HD3 ARG A 275 2.146 -12.303 -13.125 1.00 0.00 H new ATOM 0 HE ARG A 275 4.036 -10.612 -11.946 1.00 0.00 H new ATOM 0 HH11 ARG A 275 2.755 -13.850 -11.372 1.00 0.00 H new ATOM 0 HH12 ARG A 275 4.260 -14.447 -10.665 1.00 0.00 H new ATOM 0 HH21 ARG A 275 5.967 -11.385 -11.038 1.00 0.00 H new ATOM 0 HH22 ARG A 275 6.072 -13.057 -10.476 1.00 0.00 H new ATOM 765 N HIS A 276 2.350 -7.648 -9.181 1.00 0.00 N ATOM 766 CA HIS A 276 3.085 -6.715 -8.336 1.00 0.00 C ATOM 767 C HIS A 276 2.548 -6.733 -6.908 1.00 0.00 C ATOM 768 O HIS A 276 3.178 -6.201 -5.994 1.00 0.00 O ATOM 769 CB HIS A 276 2.996 -5.301 -8.909 1.00 0.00 C ATOM 770 CG HIS A 276 4.216 -4.472 -8.650 1.00 0.00 C ATOM 771 ND1 HIS A 276 4.160 -3.152 -8.252 1.00 0.00 N ATOM 772 CD2 HIS A 276 5.532 -4.783 -8.732 1.00 0.00 C ATOM 773 CE1 HIS A 276 5.387 -2.687 -8.103 1.00 0.00 C ATOM 774 NE2 HIS A 276 6.238 -3.656 -8.388 1.00 0.00 N ATOM 0 H HIS A 276 1.654 -7.210 -9.784 1.00 0.00 H new ATOM 0 HA HIS A 276 4.129 -7.027 -8.315 1.00 0.00 H new ATOM 0 HB2 HIS A 276 2.831 -5.363 -9.985 1.00 0.00 H new ATOM 0 HB3 HIS A 276 2.128 -4.799 -8.482 1.00 0.00 H new ATOM 0 HD2 HIS A 276 5.948 -5.739 -9.015 1.00 0.00 H new ATOM 0 HE1 HIS A 276 5.650 -1.684 -7.800 1.00 0.00 H new ATOM 0 HE2 HIS A 276 7.255 -3.580 -8.358 1.00 0.00 H new ATOM 783 N GLN A 277 1.384 -7.347 -6.722 1.00 0.00 N ATOM 784 CA GLN A 277 0.770 -7.432 -5.403 1.00 0.00 C ATOM 785 C GLN A 277 1.832 -7.618 -4.325 1.00 0.00 C ATOM 786 O GLN A 277 1.770 -7.000 -3.262 1.00 0.00 O ATOM 787 CB GLN A 277 -0.237 -8.582 -5.353 1.00 0.00 C ATOM 788 CG GLN A 277 0.394 -9.932 -5.052 1.00 0.00 C ATOM 789 CD GLN A 277 0.709 -10.113 -3.580 1.00 0.00 C ATOM 790 OE1 GLN A 277 -0.094 -9.764 -2.715 1.00 0.00 O ATOM 791 NE2 GLN A 277 1.883 -10.660 -3.288 1.00 0.00 N ATOM 0 H GLN A 277 0.848 -7.792 -7.467 1.00 0.00 H new ATOM 0 HA GLN A 277 0.243 -6.497 -5.213 1.00 0.00 H new ATOM 0 HB2 GLN A 277 -0.987 -8.364 -4.593 1.00 0.00 H new ATOM 0 HB3 GLN A 277 -0.758 -8.639 -6.309 1.00 0.00 H new ATOM 0 HG2 GLN A 277 -0.281 -10.725 -5.376 1.00 0.00 H new ATOM 0 HG3 GLN A 277 1.311 -10.038 -5.632 1.00 0.00 H new ATOM 0 HE21 GLN A 277 2.518 -10.935 -4.037 1.00 0.00 H new ATOM 0 HE22 GLN A 277 2.150 -10.806 -2.314 1.00 0.00 H new ATOM 800 N GLU A 278 2.814 -8.467 -4.613 1.00 0.00 N ATOM 801 CA GLU A 278 3.897 -8.725 -3.673 1.00 0.00 C ATOM 802 C GLU A 278 4.779 -7.491 -3.530 1.00 0.00 C ATOM 803 O GLU A 278 5.099 -7.067 -2.420 1.00 0.00 O ATOM 804 CB GLU A 278 4.734 -9.917 -4.138 1.00 0.00 C ATOM 805 CG GLU A 278 5.227 -10.796 -3.000 1.00 0.00 C ATOM 806 CD GLU A 278 6.740 -10.888 -2.949 1.00 0.00 C ATOM 807 OE1 GLU A 278 7.383 -10.682 -4.000 1.00 0.00 O ATOM 808 OE2 GLU A 278 7.282 -11.169 -1.859 1.00 0.00 O ATOM 0 H GLU A 278 2.881 -8.986 -5.488 1.00 0.00 H new ATOM 0 HA GLU A 278 3.462 -8.961 -2.702 1.00 0.00 H new ATOM 0 HB2 GLU A 278 4.140 -10.523 -4.822 1.00 0.00 H new ATOM 0 HB3 GLU A 278 5.592 -9.550 -4.701 1.00 0.00 H new ATOM 0 HG2 GLU A 278 4.858 -10.400 -2.054 1.00 0.00 H new ATOM 0 HG3 GLU A 278 4.809 -11.797 -3.111 1.00 0.00 H new ATOM 815 N GLN A 279 5.159 -6.913 -4.666 1.00 0.00 N ATOM 816 CA GLN A 279 5.994 -5.720 -4.675 1.00 0.00 C ATOM 817 C GLN A 279 5.208 -4.517 -4.165 1.00 0.00 C ATOM 818 O GLN A 279 5.653 -3.811 -3.261 1.00 0.00 O ATOM 819 CB GLN A 279 6.515 -5.444 -6.086 1.00 0.00 C ATOM 820 CG GLN A 279 7.995 -5.748 -6.258 1.00 0.00 C ATOM 821 CD GLN A 279 8.246 -6.898 -7.214 1.00 0.00 C ATOM 822 OE1 GLN A 279 9.184 -6.864 -8.011 1.00 0.00 O ATOM 823 NE2 GLN A 279 7.406 -7.924 -7.139 1.00 0.00 N ATOM 0 H GLN A 279 4.901 -7.253 -5.592 1.00 0.00 H new ATOM 0 HA GLN A 279 6.844 -5.891 -4.014 1.00 0.00 H new ATOM 0 HB2 GLN A 279 5.945 -6.041 -6.798 1.00 0.00 H new ATOM 0 HB3 GLN A 279 6.337 -4.397 -6.332 1.00 0.00 H new ATOM 0 HG2 GLN A 279 8.505 -4.857 -6.625 1.00 0.00 H new ATOM 0 HG3 GLN A 279 8.429 -5.986 -5.287 1.00 0.00 H new ATOM 0 HE21 GLN A 279 6.642 -7.910 -6.463 1.00 0.00 H new ATOM 0 HE22 GLN A 279 7.525 -8.726 -7.757 1.00 0.00 H new ATOM 832 N PHE A 280 4.032 -4.296 -4.745 1.00 0.00 N ATOM 833 CA PHE A 280 3.185 -3.184 -4.337 1.00 0.00 C ATOM 834 C PHE A 280 3.127 -3.099 -2.817 1.00 0.00 C ATOM 835 O PHE A 280 3.461 -2.071 -2.227 1.00 0.00 O ATOM 836 CB PHE A 280 1.776 -3.345 -4.916 1.00 0.00 C ATOM 837 CG PHE A 280 0.873 -2.180 -4.626 1.00 0.00 C ATOM 838 CD1 PHE A 280 0.479 -1.897 -3.328 1.00 0.00 C ATOM 839 CD2 PHE A 280 0.419 -1.368 -5.653 1.00 0.00 C ATOM 840 CE1 PHE A 280 -0.351 -0.825 -3.060 1.00 0.00 C ATOM 841 CE2 PHE A 280 -0.411 -0.294 -5.390 1.00 0.00 C ATOM 842 CZ PHE A 280 -0.797 -0.022 -4.092 1.00 0.00 C ATOM 0 H PHE A 280 3.647 -4.870 -5.495 1.00 0.00 H new ATOM 0 HA PHE A 280 3.613 -2.259 -4.723 1.00 0.00 H new ATOM 0 HB2 PHE A 280 1.848 -3.479 -5.995 1.00 0.00 H new ATOM 0 HB3 PHE A 280 1.327 -4.252 -4.512 1.00 0.00 H new ATOM 0 HD1 PHE A 280 0.824 -2.521 -2.517 1.00 0.00 H new ATOM 0 HD2 PHE A 280 0.717 -1.576 -6.670 1.00 0.00 H new ATOM 0 HE1 PHE A 280 -0.651 -0.615 -2.044 1.00 0.00 H new ATOM 0 HE2 PHE A 280 -0.757 0.332 -6.199 1.00 0.00 H new ATOM 0 HZ PHE A 280 -1.446 0.816 -3.884 1.00 0.00 H new ATOM 852 N ILE A 281 2.722 -4.195 -2.182 1.00 0.00 N ATOM 853 CA ILE A 281 2.646 -4.246 -0.729 1.00 0.00 C ATOM 854 C ILE A 281 4.043 -4.179 -0.128 1.00 0.00 C ATOM 855 O ILE A 281 4.232 -3.676 0.978 1.00 0.00 O ATOM 856 CB ILE A 281 1.945 -5.528 -0.240 1.00 0.00 C ATOM 857 CG1 ILE A 281 0.599 -5.700 -0.946 1.00 0.00 C ATOM 858 CG2 ILE A 281 1.756 -5.485 1.269 1.00 0.00 C ATOM 859 CD1 ILE A 281 -0.432 -4.670 -0.539 1.00 0.00 C ATOM 0 H ILE A 281 2.442 -5.057 -2.651 1.00 0.00 H new ATOM 0 HA ILE A 281 2.059 -3.387 -0.403 1.00 0.00 H new ATOM 0 HB ILE A 281 2.574 -6.384 -0.484 1.00 0.00 H new ATOM 0 HG12 ILE A 281 0.753 -5.642 -2.024 1.00 0.00 H new ATOM 0 HG13 ILE A 281 0.210 -6.696 -0.732 1.00 0.00 H new ATOM 0 HG21 ILE A 281 1.260 -6.397 1.600 1.00 0.00 H new ATOM 0 HG22 ILE A 281 2.728 -5.404 1.755 1.00 0.00 H new ATOM 0 HG23 ILE A 281 1.145 -4.623 1.535 1.00 0.00 H new ATOM 0 HD11 ILE A 281 -1.361 -4.853 -1.079 1.00 0.00 H new ATOM 0 HD12 ILE A 281 -0.615 -4.742 0.533 1.00 0.00 H new ATOM 0 HD13 ILE A 281 -0.064 -3.672 -0.778 1.00 0.00 H new ATOM 871 N GLN A 282 5.022 -4.681 -0.877 1.00 0.00 N ATOM 872 CA GLN A 282 6.407 -4.665 -0.426 1.00 0.00 C ATOM 873 C GLN A 282 6.827 -3.239 -0.095 1.00 0.00 C ATOM 874 O GLN A 282 7.481 -2.989 0.916 1.00 0.00 O ATOM 875 CB GLN A 282 7.329 -5.248 -1.499 1.00 0.00 C ATOM 876 CG GLN A 282 8.743 -5.508 -1.009 1.00 0.00 C ATOM 877 CD GLN A 282 9.385 -6.702 -1.690 1.00 0.00 C ATOM 878 OE1 GLN A 282 8.973 -7.107 -2.776 1.00 0.00 O ATOM 879 NE2 GLN A 282 10.400 -7.272 -1.050 1.00 0.00 N ATOM 0 H GLN A 282 4.881 -5.102 -1.795 1.00 0.00 H new ATOM 0 HA GLN A 282 6.489 -5.280 0.470 1.00 0.00 H new ATOM 0 HB2 GLN A 282 6.902 -6.182 -1.864 1.00 0.00 H new ATOM 0 HB3 GLN A 282 7.367 -4.562 -2.345 1.00 0.00 H new ATOM 0 HG2 GLN A 282 9.353 -4.622 -1.185 1.00 0.00 H new ATOM 0 HG3 GLN A 282 8.726 -5.674 0.068 1.00 0.00 H new ATOM 0 HE21 GLN A 282 10.708 -6.902 -0.151 1.00 0.00 H new ATOM 0 HE22 GLN A 282 10.871 -8.080 -1.458 1.00 0.00 H new ATOM 888 N MET A 283 6.427 -2.305 -0.953 1.00 0.00 N ATOM 889 CA MET A 283 6.741 -0.898 -0.752 1.00 0.00 C ATOM 890 C MET A 283 5.828 -0.307 0.315 1.00 0.00 C ATOM 891 O MET A 283 6.239 0.556 1.091 1.00 0.00 O ATOM 892 CB MET A 283 6.586 -0.123 -2.062 1.00 0.00 C ATOM 893 CG MET A 283 7.517 -0.600 -3.165 1.00 0.00 C ATOM 894 SD MET A 283 9.196 -0.890 -2.579 1.00 0.00 S ATOM 895 CE MET A 283 9.963 -1.549 -4.058 1.00 0.00 C ATOM 0 H MET A 283 5.884 -2.500 -1.794 1.00 0.00 H new ATOM 0 HA MET A 283 7.776 -0.816 -0.420 1.00 0.00 H new ATOM 0 HB2 MET A 283 5.555 -0.209 -2.406 1.00 0.00 H new ATOM 0 HB3 MET A 283 6.772 0.934 -1.873 1.00 0.00 H new ATOM 0 HG2 MET A 283 7.122 -1.520 -3.595 1.00 0.00 H new ATOM 0 HG3 MET A 283 7.538 0.142 -3.963 1.00 0.00 H new ATOM 0 HE1 MET A 283 11.009 -1.778 -3.854 1.00 0.00 H new ATOM 0 HE2 MET A 283 9.445 -2.458 -4.362 1.00 0.00 H new ATOM 0 HE3 MET A 283 9.903 -0.812 -4.859 1.00 0.00 H new ATOM 905 N LEU A 284 4.589 -0.791 0.355 1.00 0.00 N ATOM 906 CA LEU A 284 3.618 -0.325 1.335 1.00 0.00 C ATOM 907 C LEU A 284 4.203 -0.438 2.733 1.00 0.00 C ATOM 908 O LEU A 284 3.775 0.251 3.659 1.00 0.00 O ATOM 909 CB LEU A 284 2.319 -1.128 1.228 1.00 0.00 C ATOM 910 CG LEU A 284 1.037 -0.314 1.425 1.00 0.00 C ATOM 911 CD1 LEU A 284 1.141 0.538 2.678 1.00 0.00 C ATOM 912 CD2 LEU A 284 0.757 0.557 0.205 1.00 0.00 C ATOM 0 H LEU A 284 4.236 -1.506 -0.281 1.00 0.00 H new ATOM 0 HA LEU A 284 3.387 0.721 1.133 1.00 0.00 H new ATOM 0 HB2 LEU A 284 2.283 -1.603 0.248 1.00 0.00 H new ATOM 0 HB3 LEU A 284 2.341 -1.927 1.969 1.00 0.00 H new ATOM 0 HG LEU A 284 0.204 -1.007 1.545 1.00 0.00 H new ATOM 0 HD11 LEU A 284 0.223 1.111 2.805 1.00 0.00 H new ATOM 0 HD12 LEU A 284 1.290 -0.106 3.545 1.00 0.00 H new ATOM 0 HD13 LEU A 284 1.985 1.221 2.584 1.00 0.00 H new ATOM 0 HD21 LEU A 284 -0.158 1.126 0.367 1.00 0.00 H new ATOM 0 HD22 LEU A 284 1.589 1.244 0.050 1.00 0.00 H new ATOM 0 HD23 LEU A 284 0.640 -0.076 -0.675 1.00 0.00 H new ATOM 924 N ASN A 285 5.205 -1.298 2.868 1.00 0.00 N ATOM 925 CA ASN A 285 5.880 -1.494 4.140 1.00 0.00 C ATOM 926 C ASN A 285 7.089 -0.570 4.234 1.00 0.00 C ATOM 927 O ASN A 285 8.117 -0.935 4.802 1.00 0.00 O ATOM 928 CB ASN A 285 6.317 -2.951 4.296 1.00 0.00 C ATOM 929 CG ASN A 285 5.542 -3.674 5.380 1.00 0.00 C ATOM 930 OD1 ASN A 285 4.765 -4.587 5.099 1.00 0.00 O ATOM 931 ND2 ASN A 285 5.749 -3.268 6.627 1.00 0.00 N ATOM 0 H ASN A 285 5.568 -1.872 2.107 1.00 0.00 H new ATOM 0 HA ASN A 285 5.185 -1.254 4.945 1.00 0.00 H new ATOM 0 HB2 ASN A 285 6.182 -3.471 3.348 1.00 0.00 H new ATOM 0 HB3 ASN A 285 7.381 -2.985 4.530 1.00 0.00 H new ATOM 0 HD21 ASN A 285 5.255 -3.717 7.398 1.00 0.00 H new ATOM 0 HD22 ASN A 285 6.402 -2.507 6.814 1.00 0.00 H new ATOM 938 N GLU A 286 6.948 0.625 3.657 1.00 0.00 N ATOM 939 CA GLU A 286 8.018 1.624 3.651 1.00 0.00 C ATOM 940 C GLU A 286 8.937 1.460 4.859 1.00 0.00 C ATOM 941 O GLU A 286 8.552 1.754 5.990 1.00 0.00 O ATOM 942 CB GLU A 286 7.421 3.033 3.649 1.00 0.00 C ATOM 943 CG GLU A 286 7.561 3.754 2.319 1.00 0.00 C ATOM 944 CD GLU A 286 9.000 4.107 1.996 1.00 0.00 C ATOM 945 OE1 GLU A 286 9.533 5.049 2.616 1.00 0.00 O ATOM 946 OE2 GLU A 286 9.593 3.439 1.123 1.00 0.00 O ATOM 0 H GLU A 286 6.096 0.926 3.184 1.00 0.00 H new ATOM 0 HA GLU A 286 8.609 1.475 2.747 1.00 0.00 H new ATOM 0 HB2 GLU A 286 6.364 2.971 3.909 1.00 0.00 H new ATOM 0 HB3 GLU A 286 7.906 3.625 4.426 1.00 0.00 H new ATOM 0 HG2 GLU A 286 7.158 3.125 1.525 1.00 0.00 H new ATOM 0 HG3 GLU A 286 6.963 4.665 2.339 1.00 0.00 H new