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 Set 1.1: A 246 GLN : amide:sc= -0.116 X(o=-0.13,f=-0.11) USER MOD Set 1.2: A 250 GLN : amide:sc= -0.0104 X(o=-0.13,f=-0.11) USER MOD Set 2.1: A 242 GLN : amide:sc= -3.1! C(o=-3.8!,f=-11!) USER MOD Set 2.2: A 243 ASN : amide:sc= -0.696 K(o=-3.8,f=-5.8) USER MOD Single : A 238 GLN :FLIP amide:sc= -1.24 F(o=-2.5!,f=-1.2) USER MOD Single : A 240 GLN : amide:sc= -0.25 X(o=-0.25,f=-0.17) USER MOD Single : A 244 MET CE :methyl 148:sc= -0.927 (180deg=-3.94!) USER MOD Single : A 249 GLN : amide:sc= -1.58! C(o=-1.6!,f=-2.6!) USER MOD Single : A 251 ASN : amide:sc= -0.444 K(o=-0.44,f=-3.2!) USER MOD Single : A 260 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 261 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 264 GLN : amide:sc= -3.11! C(o=-3.1!,f=-9.6!) USER MOD Single : A 266 ASN : amide:sc= -0.41 K(o=-0.41,f=-3.1!) USER MOD Single : A 268 GLN : amide:sc= -0.308 K(o=-0.31,f=-3.2!) USER MOD Single : A 271 GLN : amide:sc= 0 X(o=0,f=-0.0019) USER MOD Single : A 272 GLN : amide:sc= -1.65! C(o=-1.7!,f=-6.9!) USER MOD Single : A 274 SER OG : rot 180:sc= 0 USER MOD Single : A 276 HIS : no HD1:sc= -15.2! C(o=-15!,f=-16!) USER MOD Single : A 277 GLN : amide:sc= -1.14 K(o=-1.1,f=-5.3!) USER MOD Single : A 279 GLN : amide:sc= -1.14 K(o=-1.1,f=-6.4!) USER MOD Single : A 282 GLN : amide:sc= -0.0842 X(o=-0.084,f=-0.29) USER MOD Single : A 283 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 285 ASN : amide:sc= 0.262 X(o=0.26,f=-0.059) USER MOD ----------------------------------------------------------------- ATOM 29 N LEU A 232 -0.753 -3.060 -14.221 1.00 0.00 N ATOM 30 CA LEU A 232 0.233 -2.622 -13.241 1.00 0.00 C ATOM 31 C LEU A 232 1.489 -2.103 -13.931 1.00 0.00 C ATOM 32 O LEU A 232 2.219 -1.285 -13.375 1.00 0.00 O ATOM 33 CB LEU A 232 0.596 -3.772 -12.300 1.00 0.00 C ATOM 34 CG LEU A 232 -0.223 -3.842 -11.011 1.00 0.00 C ATOM 35 CD1 LEU A 232 0.460 -4.745 -9.996 1.00 0.00 C ATOM 36 CD2 LEU A 232 -0.432 -2.451 -10.432 1.00 0.00 C ATOM 0 HA LEU A 232 -0.206 -1.811 -12.660 1.00 0.00 H new ATOM 0 HB2 LEU A 232 0.477 -4.712 -12.839 1.00 0.00 H new ATOM 0 HB3 LEU A 232 1.650 -3.686 -12.037 1.00 0.00 H new ATOM 0 HG LEU A 232 -1.200 -4.264 -11.247 1.00 0.00 H new ATOM 0 HD11 LEU A 232 -0.136 -4.784 -9.084 1.00 0.00 H new ATOM 0 HD12 LEU A 232 0.557 -5.749 -10.409 1.00 0.00 H new ATOM 0 HD13 LEU A 232 1.450 -4.350 -9.766 1.00 0.00 H new ATOM 0 HD21 LEU A 232 -1.017 -2.523 -9.515 1.00 0.00 H new ATOM 0 HD22 LEU A 232 0.535 -2.000 -10.211 1.00 0.00 H new ATOM 0 HD23 LEU A 232 -0.964 -1.832 -11.155 1.00 0.00 H new ATOM 48 N GLU A 233 1.734 -2.584 -15.145 1.00 0.00 N ATOM 49 CA GLU A 233 2.903 -2.165 -15.908 1.00 0.00 C ATOM 50 C GLU A 233 3.194 -0.686 -15.676 1.00 0.00 C ATOM 51 O GLU A 233 4.288 -0.318 -15.246 1.00 0.00 O ATOM 52 CB GLU A 233 2.688 -2.428 -17.399 1.00 0.00 C ATOM 53 CG GLU A 233 2.084 -3.791 -17.699 1.00 0.00 C ATOM 54 CD GLU A 233 2.937 -4.611 -18.647 1.00 0.00 C ATOM 55 OE1 GLU A 233 4.174 -4.440 -18.630 1.00 0.00 O ATOM 56 OE2 GLU A 233 2.368 -5.424 -19.405 1.00 0.00 O ATOM 0 H GLU A 233 1.140 -3.263 -15.621 1.00 0.00 H new ATOM 0 HA GLU A 233 3.760 -2.746 -15.567 1.00 0.00 H new ATOM 0 HB2 GLU A 233 2.036 -1.654 -17.805 1.00 0.00 H new ATOM 0 HB3 GLU A 233 3.644 -2.343 -17.915 1.00 0.00 H new ATOM 0 HG2 GLU A 233 1.954 -4.340 -16.766 1.00 0.00 H new ATOM 0 HG3 GLU A 233 1.092 -3.658 -18.131 1.00 0.00 H new ATOM 63 N PHE A 234 2.207 0.156 -15.956 1.00 0.00 N ATOM 64 CA PHE A 234 2.357 1.594 -15.770 1.00 0.00 C ATOM 65 C PHE A 234 2.471 1.936 -14.288 1.00 0.00 C ATOM 66 O PHE A 234 3.268 2.789 -13.896 1.00 0.00 O ATOM 67 CB PHE A 234 1.178 2.339 -16.400 1.00 0.00 C ATOM 68 CG PHE A 234 0.008 2.503 -15.476 1.00 0.00 C ATOM 69 CD1 PHE A 234 -0.868 1.452 -15.255 1.00 0.00 C ATOM 70 CD2 PHE A 234 -0.211 3.705 -14.826 1.00 0.00 C ATOM 71 CE1 PHE A 234 -1.942 1.599 -14.400 1.00 0.00 C ATOM 72 CE2 PHE A 234 -1.284 3.858 -13.971 1.00 0.00 C ATOM 73 CZ PHE A 234 -2.150 2.803 -13.758 1.00 0.00 C ATOM 0 H PHE A 234 1.295 -0.131 -16.312 1.00 0.00 H new ATOM 0 HA PHE A 234 3.274 1.910 -16.267 1.00 0.00 H new ATOM 0 HB2 PHE A 234 1.514 3.324 -16.726 1.00 0.00 H new ATOM 0 HB3 PHE A 234 0.854 1.802 -17.291 1.00 0.00 H new ATOM 0 HD1 PHE A 234 -0.709 0.509 -15.757 1.00 0.00 H new ATOM 0 HD2 PHE A 234 0.464 4.532 -14.989 1.00 0.00 H new ATOM 0 HE1 PHE A 234 -2.618 0.773 -14.234 1.00 0.00 H new ATOM 0 HE2 PHE A 234 -1.446 4.801 -13.470 1.00 0.00 H new ATOM 0 HZ PHE A 234 -2.990 2.920 -13.089 1.00 0.00 H new ATOM 83 N LEU A 235 1.673 1.259 -13.468 1.00 0.00 N ATOM 84 CA LEU A 235 1.686 1.483 -12.028 1.00 0.00 C ATOM 85 C LEU A 235 3.047 1.127 -11.437 1.00 0.00 C ATOM 86 O LEU A 235 3.547 1.811 -10.544 1.00 0.00 O ATOM 87 CB LEU A 235 0.589 0.656 -11.353 1.00 0.00 C ATOM 88 CG LEU A 235 -0.303 1.423 -10.374 1.00 0.00 C ATOM 89 CD1 LEU A 235 0.357 1.509 -9.007 1.00 0.00 C ATOM 90 CD2 LEU A 235 -0.609 2.812 -10.909 1.00 0.00 C ATOM 0 H LEU A 235 1.008 0.550 -13.778 1.00 0.00 H new ATOM 0 HA LEU A 235 1.496 2.541 -11.846 1.00 0.00 H new ATOM 0 HB2 LEU A 235 -0.042 0.220 -12.127 1.00 0.00 H new ATOM 0 HB3 LEU A 235 1.057 -0.171 -10.820 1.00 0.00 H new ATOM 0 HG LEU A 235 -1.243 0.882 -10.267 1.00 0.00 H new ATOM 0 HD11 LEU A 235 -0.291 2.058 -8.324 1.00 0.00 H new ATOM 0 HD12 LEU A 235 0.524 0.504 -8.620 1.00 0.00 H new ATOM 0 HD13 LEU A 235 1.312 2.027 -9.096 1.00 0.00 H new ATOM 0 HD21 LEU A 235 -1.244 3.343 -10.200 1.00 0.00 H new ATOM 0 HD22 LEU A 235 0.322 3.363 -11.045 1.00 0.00 H new ATOM 0 HD23 LEU A 235 -1.124 2.728 -11.866 1.00 0.00 H new ATOM 102 N ARG A 236 3.643 0.051 -11.944 1.00 0.00 N ATOM 103 CA ARG A 236 4.947 -0.394 -11.471 1.00 0.00 C ATOM 104 C ARG A 236 6.034 0.590 -11.884 1.00 0.00 C ATOM 105 O ARG A 236 6.995 0.815 -11.149 1.00 0.00 O ATOM 106 CB ARG A 236 5.266 -1.786 -12.021 1.00 0.00 C ATOM 107 CG ARG A 236 4.447 -2.896 -11.382 1.00 0.00 C ATOM 108 CD ARG A 236 4.296 -4.084 -12.318 1.00 0.00 C ATOM 109 NE ARG A 236 5.575 -4.499 -12.885 1.00 0.00 N ATOM 110 CZ ARG A 236 5.729 -5.579 -13.643 1.00 0.00 C ATOM 111 NH1 ARG A 236 4.687 -6.350 -13.921 1.00 0.00 N ATOM 112 NH2 ARG A 236 6.926 -5.891 -14.122 1.00 0.00 N ATOM 0 H ARG A 236 3.242 -0.528 -12.682 1.00 0.00 H new ATOM 0 HA ARG A 236 4.916 -0.442 -10.382 1.00 0.00 H new ATOM 0 HB2 ARG A 236 5.092 -1.791 -13.097 1.00 0.00 H new ATOM 0 HB3 ARG A 236 6.325 -1.994 -11.869 1.00 0.00 H new ATOM 0 HG2 ARG A 236 4.927 -3.218 -10.458 1.00 0.00 H new ATOM 0 HG3 ARG A 236 3.462 -2.515 -11.114 1.00 0.00 H new ATOM 0 HD2 ARG A 236 3.852 -4.919 -11.776 1.00 0.00 H new ATOM 0 HD3 ARG A 236 3.609 -3.826 -13.124 1.00 0.00 H new ATOM 0 HE ARG A 236 6.397 -3.928 -12.688 1.00 0.00 H new ATOM 0 HH11 ARG A 236 3.765 -6.114 -13.553 1.00 0.00 H new ATOM 0 HH12 ARG A 236 4.807 -7.179 -14.503 1.00 0.00 H new ATOM 0 HH21 ARG A 236 7.730 -5.301 -13.908 1.00 0.00 H new ATOM 0 HH22 ARG A 236 7.042 -6.721 -14.704 1.00 0.00 H new ATOM 126 N ASP A 237 5.871 1.175 -13.065 1.00 0.00 N ATOM 127 CA ASP A 237 6.836 2.141 -13.578 1.00 0.00 C ATOM 128 C ASP A 237 6.730 3.463 -12.826 1.00 0.00 C ATOM 129 O ASP A 237 7.738 4.107 -12.535 1.00 0.00 O ATOM 130 CB ASP A 237 6.614 2.373 -15.073 1.00 0.00 C ATOM 131 CG ASP A 237 6.965 1.155 -15.906 1.00 0.00 C ATOM 132 OD1 ASP A 237 7.170 0.073 -15.318 1.00 0.00 O ATOM 133 OD2 ASP A 237 7.035 1.284 -17.146 1.00 0.00 O ATOM 0 H ASP A 237 5.081 0.998 -13.685 1.00 0.00 H new ATOM 0 HA ASP A 237 7.836 1.734 -13.427 1.00 0.00 H new ATOM 0 HB2 ASP A 237 5.571 2.639 -15.246 1.00 0.00 H new ATOM 0 HB3 ASP A 237 7.218 3.220 -15.400 1.00 0.00 H new ATOM 138 N GLN A 238 5.502 3.860 -12.512 1.00 0.00 N ATOM 139 CA GLN A 238 5.260 5.105 -11.792 1.00 0.00 C ATOM 140 C GLN A 238 5.539 4.933 -10.303 1.00 0.00 C ATOM 141 O GLN A 238 5.624 3.812 -9.802 1.00 0.00 O ATOM 142 CB GLN A 238 3.818 5.569 -12.004 1.00 0.00 C ATOM 143 CG GLN A 238 3.600 6.295 -13.321 1.00 0.00 C ATOM 144 CD GLN A 238 4.115 7.721 -13.293 1.00 0.00 C ATOM 145 OE1 GLN A 238 3.652 8.499 -12.322 1.00 0.00 O flip ATOM 146 NE2 GLN A 238 4.923 8.118 -14.134 1.00 0.00 N flip ATOM 0 H GLN A 238 4.658 3.337 -12.745 1.00 0.00 H new ATOM 0 HA GLN A 238 5.938 5.862 -12.185 1.00 0.00 H new ATOM 0 HB2 GLN A 238 3.157 4.703 -11.962 1.00 0.00 H new ATOM 0 HB3 GLN A 238 3.533 6.228 -11.184 1.00 0.00 H new ATOM 0 HG2 GLN A 238 4.100 5.748 -14.120 1.00 0.00 H new ATOM 0 HG3 GLN A 238 2.536 6.302 -13.556 1.00 0.00 H new ATOM 0 HE21 GLN A 238 5.252 7.485 -14.863 1.00 0.00 H new ATOM 0 HE22 GLN A 238 5.263 9.079 -14.101 1.00 0.00 H new ATOM 155 N PRO A 239 5.687 6.051 -9.575 1.00 0.00 N ATOM 156 CA PRO A 239 5.959 6.032 -8.137 1.00 0.00 C ATOM 157 C PRO A 239 4.701 5.795 -7.305 1.00 0.00 C ATOM 158 O PRO A 239 4.707 5.984 -6.088 1.00 0.00 O ATOM 159 CB PRO A 239 6.509 7.431 -7.881 1.00 0.00 C ATOM 160 CG PRO A 239 5.819 8.289 -8.884 1.00 0.00 C ATOM 161 CD PRO A 239 5.602 7.426 -10.102 1.00 0.00 C ATOM 0 HA PRO A 239 6.635 5.225 -7.856 1.00 0.00 H new ATOM 0 HB2 PRO A 239 6.298 7.761 -6.864 1.00 0.00 H new ATOM 0 HB3 PRO A 239 7.591 7.462 -8.009 1.00 0.00 H new ATOM 0 HG2 PRO A 239 4.870 8.657 -8.494 1.00 0.00 H new ATOM 0 HG3 PRO A 239 6.423 9.163 -9.129 1.00 0.00 H new ATOM 0 HD2 PRO A 239 4.633 7.619 -10.562 1.00 0.00 H new ATOM 0 HD3 PRO A 239 6.359 7.611 -10.864 1.00 0.00 H new ATOM 169 N GLN A 240 3.624 5.383 -7.966 1.00 0.00 N ATOM 170 CA GLN A 240 2.363 5.125 -7.281 1.00 0.00 C ATOM 171 C GLN A 240 2.598 4.385 -5.968 1.00 0.00 C ATOM 172 O GLN A 240 2.276 4.893 -4.894 1.00 0.00 O ATOM 173 CB GLN A 240 1.426 4.313 -8.177 1.00 0.00 C ATOM 174 CG GLN A 240 0.080 4.981 -8.411 1.00 0.00 C ATOM 175 CD GLN A 240 0.212 6.340 -9.071 1.00 0.00 C ATOM 176 OE1 GLN A 240 -0.323 7.335 -8.580 1.00 0.00 O ATOM 177 NE2 GLN A 240 0.927 6.389 -10.188 1.00 0.00 N ATOM 0 H GLN A 240 3.599 5.221 -8.973 1.00 0.00 H new ATOM 0 HA GLN A 240 1.898 6.085 -7.058 1.00 0.00 H new ATOM 0 HB2 GLN A 240 1.911 4.145 -9.138 1.00 0.00 H new ATOM 0 HB3 GLN A 240 1.263 3.334 -7.726 1.00 0.00 H new ATOM 0 HG2 GLN A 240 -0.538 4.336 -9.036 1.00 0.00 H new ATOM 0 HG3 GLN A 240 -0.437 5.092 -7.458 1.00 0.00 H new ATOM 0 HE21 GLN A 240 1.352 5.539 -10.559 1.00 0.00 H new ATOM 0 HE22 GLN A 240 1.051 7.276 -10.676 1.00 0.00 H new ATOM 186 N PHE A 241 3.164 3.187 -6.060 1.00 0.00 N ATOM 187 CA PHE A 241 3.442 2.386 -4.874 1.00 0.00 C ATOM 188 C PHE A 241 4.103 3.235 -3.795 1.00 0.00 C ATOM 189 O PHE A 241 3.717 3.186 -2.627 1.00 0.00 O ATOM 190 CB PHE A 241 4.338 1.200 -5.227 1.00 0.00 C ATOM 191 CG PHE A 241 5.293 1.493 -6.345 1.00 0.00 C ATOM 192 CD1 PHE A 241 6.539 2.040 -6.084 1.00 0.00 C ATOM 193 CD2 PHE A 241 4.943 1.225 -7.658 1.00 0.00 C ATOM 194 CE1 PHE A 241 7.418 2.314 -7.111 1.00 0.00 C ATOM 195 CE2 PHE A 241 5.818 1.499 -8.690 1.00 0.00 C ATOM 196 CZ PHE A 241 7.057 2.043 -8.416 1.00 0.00 C ATOM 0 H PHE A 241 3.438 2.750 -6.940 1.00 0.00 H new ATOM 0 HA PHE A 241 2.494 2.009 -4.490 1.00 0.00 H new ATOM 0 HB2 PHE A 241 4.903 0.904 -4.343 1.00 0.00 H new ATOM 0 HB3 PHE A 241 3.713 0.351 -5.505 1.00 0.00 H new ATOM 0 HD1 PHE A 241 6.825 2.254 -5.065 1.00 0.00 H new ATOM 0 HD2 PHE A 241 3.976 0.797 -7.877 1.00 0.00 H new ATOM 0 HE1 PHE A 241 8.387 2.740 -6.895 1.00 0.00 H new ATOM 0 HE2 PHE A 241 5.534 1.288 -9.710 1.00 0.00 H new ATOM 0 HZ PHE A 241 7.744 2.256 -9.222 1.00 0.00 H new ATOM 206 N GLN A 242 5.098 4.018 -4.198 1.00 0.00 N ATOM 207 CA GLN A 242 5.812 4.887 -3.268 1.00 0.00 C ATOM 208 C GLN A 242 4.907 6.016 -2.789 1.00 0.00 C ATOM 209 O GLN A 242 4.785 6.258 -1.588 1.00 0.00 O ATOM 210 CB GLN A 242 7.063 5.464 -3.935 1.00 0.00 C ATOM 211 CG GLN A 242 7.738 6.553 -3.119 1.00 0.00 C ATOM 212 CD GLN A 242 7.297 7.945 -3.526 1.00 0.00 C ATOM 213 OE1 GLN A 242 6.243 8.120 -4.138 1.00 0.00 O ATOM 214 NE2 GLN A 242 8.104 8.944 -3.189 1.00 0.00 N ATOM 0 H GLN A 242 5.429 4.069 -5.162 1.00 0.00 H new ATOM 0 HA GLN A 242 6.114 4.293 -2.405 1.00 0.00 H new ATOM 0 HB2 GLN A 242 7.776 4.658 -4.111 1.00 0.00 H new ATOM 0 HB3 GLN A 242 6.791 5.868 -4.910 1.00 0.00 H new ATOM 0 HG2 GLN A 242 7.517 6.400 -2.063 1.00 0.00 H new ATOM 0 HG3 GLN A 242 8.819 6.470 -3.233 1.00 0.00 H new ATOM 0 HE21 GLN A 242 8.968 8.753 -2.682 1.00 0.00 H new ATOM 0 HE22 GLN A 242 7.860 9.903 -3.437 1.00 0.00 H new ATOM 223 N ASN A 243 4.267 6.700 -3.734 1.00 0.00 N ATOM 224 CA ASN A 243 3.367 7.798 -3.401 1.00 0.00 C ATOM 225 C ASN A 243 2.485 7.418 -2.218 1.00 0.00 C ATOM 226 O ASN A 243 2.560 8.029 -1.150 1.00 0.00 O ATOM 227 CB ASN A 243 2.500 8.162 -4.607 1.00 0.00 C ATOM 228 CG ASN A 243 3.234 9.043 -5.600 1.00 0.00 C ATOM 229 OD1 ASN A 243 4.292 8.676 -6.110 1.00 0.00 O ATOM 230 ND2 ASN A 243 2.673 10.215 -5.877 1.00 0.00 N ATOM 0 H ASN A 243 4.355 6.513 -4.733 1.00 0.00 H new ATOM 0 HA ASN A 243 3.967 8.666 -3.128 1.00 0.00 H new ATOM 0 HB2 ASN A 243 2.174 7.249 -5.106 1.00 0.00 H new ATOM 0 HB3 ASN A 243 1.602 8.675 -4.264 1.00 0.00 H new ATOM 0 HD21 ASN A 243 3.121 10.852 -6.536 1.00 0.00 H new ATOM 0 HD22 ASN A 243 1.795 10.478 -5.430 1.00 0.00 H new ATOM 237 N MET A 244 1.661 6.392 -2.411 1.00 0.00 N ATOM 238 CA MET A 244 0.780 5.917 -1.353 1.00 0.00 C ATOM 239 C MET A 244 1.596 5.588 -0.111 1.00 0.00 C ATOM 240 O MET A 244 1.472 6.245 0.922 1.00 0.00 O ATOM 241 CB MET A 244 0.015 4.674 -1.815 1.00 0.00 C ATOM 242 CG MET A 244 -0.499 4.772 -3.242 1.00 0.00 C ATOM 243 SD MET A 244 0.058 3.404 -4.276 1.00 0.00 S ATOM 244 CE MET A 244 -1.229 3.374 -5.520 1.00 0.00 C ATOM 0 H MET A 244 1.586 5.876 -3.288 1.00 0.00 H new ATOM 0 HA MET A 244 0.062 6.702 -1.116 1.00 0.00 H new ATOM 0 HB2 MET A 244 0.667 3.804 -1.731 1.00 0.00 H new ATOM 0 HB3 MET A 244 -0.828 4.506 -1.145 1.00 0.00 H new ATOM 0 HG2 MET A 244 -1.589 4.794 -3.231 1.00 0.00 H new ATOM 0 HG3 MET A 244 -0.166 5.713 -3.680 1.00 0.00 H new ATOM 0 HE1 MET A 244 -0.809 3.045 -6.470 1.00 0.00 H new ATOM 0 HE2 MET A 244 -2.016 2.685 -5.213 1.00 0.00 H new ATOM 0 HE3 MET A 244 -1.647 4.374 -5.635 1.00 0.00 H new ATOM 254 N ARG A 245 2.439 4.571 -0.233 1.00 0.00 N ATOM 255 CA ARG A 245 3.297 4.143 0.861 1.00 0.00 C ATOM 256 C ARG A 245 3.794 5.339 1.663 1.00 0.00 C ATOM 257 O ARG A 245 4.018 5.235 2.865 1.00 0.00 O ATOM 258 CB ARG A 245 4.481 3.348 0.303 1.00 0.00 C ATOM 259 CG ARG A 245 5.629 3.166 1.284 1.00 0.00 C ATOM 260 CD ARG A 245 6.960 3.049 0.559 1.00 0.00 C ATOM 261 NE ARG A 245 7.618 4.345 0.415 1.00 0.00 N ATOM 262 CZ ARG A 245 8.851 4.497 -0.056 1.00 0.00 C ATOM 263 NH1 ARG A 245 9.557 3.438 -0.426 1.00 0.00 N ATOM 264 NH2 ARG A 245 9.379 5.710 -0.158 1.00 0.00 N ATOM 0 H ARG A 245 2.546 4.024 -1.087 1.00 0.00 H new ATOM 0 HA ARG A 245 2.718 3.507 1.531 1.00 0.00 H new ATOM 0 HB2 ARG A 245 4.128 2.366 -0.012 1.00 0.00 H new ATOM 0 HB3 ARG A 245 4.856 3.853 -0.587 1.00 0.00 H new ATOM 0 HG2 ARG A 245 5.660 4.011 1.972 1.00 0.00 H new ATOM 0 HG3 ARG A 245 5.459 2.272 1.884 1.00 0.00 H new ATOM 0 HD2 ARG A 245 7.613 2.369 1.106 1.00 0.00 H new ATOM 0 HD3 ARG A 245 6.799 2.612 -0.427 1.00 0.00 H new ATOM 0 HE ARG A 245 7.102 5.180 0.692 1.00 0.00 H new ATOM 0 HH11 ARG A 245 9.154 2.504 -0.349 1.00 0.00 H new ATOM 0 HH12 ARG A 245 10.503 3.557 -0.787 1.00 0.00 H new ATOM 0 HH21 ARG A 245 8.838 6.527 0.125 1.00 0.00 H new ATOM 0 HH22 ARG A 245 10.326 5.825 -0.520 1.00 0.00 H new ATOM 278 N GLN A 246 3.968 6.471 0.990 1.00 0.00 N ATOM 279 CA GLN A 246 4.446 7.683 1.649 1.00 0.00 C ATOM 280 C GLN A 246 3.365 8.292 2.537 1.00 0.00 C ATOM 281 O GLN A 246 3.494 8.312 3.762 1.00 0.00 O ATOM 282 CB GLN A 246 4.903 8.706 0.610 1.00 0.00 C ATOM 283 CG GLN A 246 6.412 8.749 0.421 1.00 0.00 C ATOM 284 CD GLN A 246 7.138 9.251 1.654 1.00 0.00 C ATOM 285 OE1 GLN A 246 7.816 8.487 2.342 1.00 0.00 O ATOM 286 NE2 GLN A 246 6.998 10.539 1.940 1.00 0.00 N ATOM 0 H GLN A 246 3.786 6.576 -0.008 1.00 0.00 H new ATOM 0 HA GLN A 246 5.292 7.409 2.280 1.00 0.00 H new ATOM 0 HB2 GLN A 246 4.432 8.476 -0.346 1.00 0.00 H new ATOM 0 HB3 GLN A 246 4.554 9.695 0.908 1.00 0.00 H new ATOM 0 HG2 GLN A 246 6.772 7.751 0.173 1.00 0.00 H new ATOM 0 HG3 GLN A 246 6.651 9.394 -0.425 1.00 0.00 H new ATOM 0 HE21 GLN A 246 6.426 11.135 1.342 1.00 0.00 H new ATOM 0 HE22 GLN A 246 7.462 10.933 2.758 1.00 0.00 H new ATOM 295 N VAL A 247 2.301 8.790 1.915 1.00 0.00 N ATOM 296 CA VAL A 247 1.204 9.399 2.658 1.00 0.00 C ATOM 297 C VAL A 247 0.781 8.512 3.823 1.00 0.00 C ATOM 298 O VAL A 247 0.585 8.988 4.942 1.00 0.00 O ATOM 299 CB VAL A 247 -0.016 9.659 1.752 1.00 0.00 C ATOM 300 CG1 VAL A 247 0.343 10.636 0.643 1.00 0.00 C ATOM 301 CG2 VAL A 247 -0.544 8.355 1.174 1.00 0.00 C ATOM 0 H VAL A 247 2.175 8.784 0.903 1.00 0.00 H new ATOM 0 HA VAL A 247 1.567 10.353 3.040 1.00 0.00 H new ATOM 0 HB VAL A 247 -0.806 10.104 2.357 1.00 0.00 H new ATOM 0 HG11 VAL A 247 -0.530 10.808 0.013 1.00 0.00 H new ATOM 0 HG12 VAL A 247 0.666 11.580 1.081 1.00 0.00 H new ATOM 0 HG13 VAL A 247 1.150 10.221 0.039 1.00 0.00 H new ATOM 0 HG21 VAL A 247 -1.405 8.561 0.538 1.00 0.00 H new ATOM 0 HG22 VAL A 247 0.237 7.876 0.584 1.00 0.00 H new ATOM 0 HG23 VAL A 247 -0.843 7.692 1.986 1.00 0.00 H new ATOM 311 N ILE A 248 0.646 7.220 3.551 1.00 0.00 N ATOM 312 CA ILE A 248 0.251 6.257 4.567 1.00 0.00 C ATOM 313 C ILE A 248 1.411 5.941 5.507 1.00 0.00 C ATOM 314 O ILE A 248 1.199 5.585 6.666 1.00 0.00 O ATOM 315 CB ILE A 248 -0.266 4.953 3.928 1.00 0.00 C ATOM 316 CG1 ILE A 248 0.765 4.395 2.934 1.00 0.00 C ATOM 317 CG2 ILE A 248 -1.610 5.209 3.254 1.00 0.00 C ATOM 318 CD1 ILE A 248 0.171 3.905 1.625 1.00 0.00 C ATOM 0 H ILE A 248 0.806 6.815 2.629 1.00 0.00 H new ATOM 0 HA ILE A 248 -0.556 6.710 5.143 1.00 0.00 H new ATOM 0 HB ILE A 248 -0.410 4.203 4.705 1.00 0.00 H new ATOM 0 HG12 ILE A 248 1.500 5.170 2.718 1.00 0.00 H new ATOM 0 HG13 ILE A 248 1.300 3.572 3.407 1.00 0.00 H new ATOM 0 HG21 ILE A 248 -1.973 4.285 2.803 1.00 0.00 H new ATOM 0 HG22 ILE A 248 -2.329 5.557 3.996 1.00 0.00 H new ATOM 0 HG23 ILE A 248 -1.490 5.968 2.480 1.00 0.00 H new ATOM 0 HD11 ILE A 248 0.967 3.528 0.983 1.00 0.00 H new ATOM 0 HD12 ILE A 248 -0.542 3.106 1.826 1.00 0.00 H new ATOM 0 HD13 ILE A 248 -0.339 4.729 1.126 1.00 0.00 H new ATOM 330 N GLN A 249 2.637 6.085 5.008 1.00 0.00 N ATOM 331 CA GLN A 249 3.818 5.824 5.824 1.00 0.00 C ATOM 332 C GLN A 249 3.795 6.703 7.065 1.00 0.00 C ATOM 333 O GLN A 249 3.663 6.213 8.186 1.00 0.00 O ATOM 334 CB GLN A 249 5.102 6.074 5.021 1.00 0.00 C ATOM 335 CG GLN A 249 6.302 6.447 5.876 1.00 0.00 C ATOM 336 CD GLN A 249 6.465 5.542 7.082 1.00 0.00 C ATOM 337 OE1 GLN A 249 6.062 4.379 7.058 1.00 0.00 O ATOM 338 NE2 GLN A 249 7.058 6.073 8.145 1.00 0.00 N ATOM 0 H GLN A 249 2.837 6.378 4.052 1.00 0.00 H new ATOM 0 HA GLN A 249 3.804 4.777 6.127 1.00 0.00 H new ATOM 0 HB2 GLN A 249 5.341 5.178 4.449 1.00 0.00 H new ATOM 0 HB3 GLN A 249 4.919 6.872 4.302 1.00 0.00 H new ATOM 0 HG2 GLN A 249 7.205 6.401 5.267 1.00 0.00 H new ATOM 0 HG3 GLN A 249 6.197 7.478 6.212 1.00 0.00 H new ATOM 0 HE21 GLN A 249 7.376 7.042 8.121 1.00 0.00 H new ATOM 0 HE22 GLN A 249 7.195 5.512 8.986 1.00 0.00 H new ATOM 347 N GLN A 250 3.905 8.008 6.852 1.00 0.00 N ATOM 348 CA GLN A 250 3.874 8.958 7.952 1.00 0.00 C ATOM 349 C GLN A 250 2.446 9.119 8.449 1.00 0.00 C ATOM 350 O GLN A 250 2.176 9.014 9.645 1.00 0.00 O ATOM 351 CB GLN A 250 4.433 10.312 7.507 1.00 0.00 C ATOM 352 CG GLN A 250 5.851 10.238 6.965 1.00 0.00 C ATOM 353 CD GLN A 250 6.216 11.445 6.125 1.00 0.00 C ATOM 354 OE1 GLN A 250 6.630 12.479 6.649 1.00 0.00 O ATOM 355 NE2 GLN A 250 6.065 11.321 4.812 1.00 0.00 N ATOM 0 H GLN A 250 4.016 8.430 5.930 1.00 0.00 H new ATOM 0 HA GLN A 250 4.496 8.579 8.763 1.00 0.00 H new ATOM 0 HB2 GLN A 250 3.781 10.730 6.740 1.00 0.00 H new ATOM 0 HB3 GLN A 250 4.412 11.000 8.352 1.00 0.00 H new ATOM 0 HG2 GLN A 250 6.550 10.154 7.797 1.00 0.00 H new ATOM 0 HG3 GLN A 250 5.960 9.335 6.364 1.00 0.00 H new ATOM 0 HE21 GLN A 250 5.719 10.446 4.419 1.00 0.00 H new ATOM 0 HE22 GLN A 250 6.295 12.101 4.196 1.00 0.00 H new ATOM 364 N ASN A 251 1.536 9.364 7.512 1.00 0.00 N ATOM 365 CA ASN A 251 0.126 9.522 7.826 1.00 0.00 C ATOM 366 C ASN A 251 -0.652 8.239 7.541 1.00 0.00 C ATOM 367 O ASN A 251 -1.464 8.204 6.616 1.00 0.00 O ATOM 368 CB ASN A 251 -0.470 10.680 7.023 1.00 0.00 C ATOM 369 CG ASN A 251 -0.827 11.866 7.896 1.00 0.00 C ATOM 370 OD1 ASN A 251 -0.638 11.836 9.113 1.00 0.00 O ATOM 371 ND2 ASN A 251 -1.346 12.921 7.279 1.00 0.00 N ATOM 0 H ASN A 251 1.756 9.458 6.520 1.00 0.00 H new ATOM 0 HA ASN A 251 0.044 9.742 8.890 1.00 0.00 H new ATOM 0 HB2 ASN A 251 0.243 10.995 6.261 1.00 0.00 H new ATOM 0 HB3 ASN A 251 -1.363 10.335 6.501 1.00 0.00 H new ATOM 0 HD21 ASN A 251 -1.605 13.749 7.815 1.00 0.00 H new ATOM 0 HD22 ASN A 251 -1.486 12.903 6.269 1.00 0.00 H new ATOM 378 N PRO A 252 -0.437 7.163 8.319 1.00 0.00 N ATOM 379 CA PRO A 252 -1.148 5.893 8.118 1.00 0.00 C ATOM 380 C PRO A 252 -2.590 5.944 8.621 1.00 0.00 C ATOM 381 O PRO A 252 -3.122 4.944 9.107 1.00 0.00 O ATOM 382 CB PRO A 252 -0.334 4.911 8.958 1.00 0.00 C ATOM 383 CG PRO A 252 0.205 5.747 10.065 1.00 0.00 C ATOM 384 CD PRO A 252 0.505 7.088 9.451 1.00 0.00 C ATOM 0 HA PRO A 252 -1.224 5.629 7.063 1.00 0.00 H new ATOM 0 HB2 PRO A 252 -0.955 4.099 9.337 1.00 0.00 H new ATOM 0 HB3 PRO A 252 0.467 4.455 8.375 1.00 0.00 H new ATOM 0 HG2 PRO A 252 -0.519 5.840 10.874 1.00 0.00 H new ATOM 0 HG3 PRO A 252 1.104 5.301 10.491 1.00 0.00 H new ATOM 0 HD2 PRO A 252 0.346 7.900 10.161 1.00 0.00 H new ATOM 0 HD3 PRO A 252 1.541 7.155 9.117 1.00 0.00 H new ATOM 392 N ALA A 253 -3.217 7.111 8.510 1.00 0.00 N ATOM 393 CA ALA A 253 -4.591 7.289 8.960 1.00 0.00 C ATOM 394 C ALA A 253 -5.584 6.845 7.894 1.00 0.00 C ATOM 395 O ALA A 253 -6.547 6.136 8.184 1.00 0.00 O ATOM 396 CB ALA A 253 -4.851 8.736 9.348 1.00 0.00 C ATOM 0 H ALA A 253 -2.793 7.949 8.111 1.00 0.00 H new ATOM 0 HA ALA A 253 -4.731 6.661 9.840 1.00 0.00 H new ATOM 0 HB1 ALA A 253 -5.883 8.844 9.681 1.00 0.00 H new ATOM 0 HB2 ALA A 253 -4.178 9.023 10.156 1.00 0.00 H new ATOM 0 HB3 ALA A 253 -4.678 9.380 8.486 1.00 0.00 H new ATOM 402 N LEU A 254 -5.344 7.273 6.659 1.00 0.00 N ATOM 403 CA LEU A 254 -6.221 6.924 5.548 1.00 0.00 C ATOM 404 C LEU A 254 -5.799 5.604 4.919 1.00 0.00 C ATOM 405 O LEU A 254 -6.422 5.133 3.966 1.00 0.00 O ATOM 406 CB LEU A 254 -6.209 8.033 4.494 1.00 0.00 C ATOM 407 CG LEU A 254 -4.843 8.671 4.240 1.00 0.00 C ATOM 408 CD1 LEU A 254 -4.636 8.915 2.754 1.00 0.00 C ATOM 409 CD2 LEU A 254 -4.711 9.972 5.020 1.00 0.00 C ATOM 0 H LEU A 254 -4.551 7.861 6.403 1.00 0.00 H new ATOM 0 HA LEU A 254 -7.233 6.813 5.936 1.00 0.00 H new ATOM 0 HB2 LEU A 254 -6.582 7.625 3.555 1.00 0.00 H new ATOM 0 HB3 LEU A 254 -6.906 8.813 4.802 1.00 0.00 H new ATOM 0 HG LEU A 254 -4.071 7.983 4.584 1.00 0.00 H new ATOM 0 HD11 LEU A 254 -3.659 9.369 2.593 1.00 0.00 H new ATOM 0 HD12 LEU A 254 -4.688 7.967 2.219 1.00 0.00 H new ATOM 0 HD13 LEU A 254 -5.413 9.584 2.383 1.00 0.00 H new ATOM 0 HD21 LEU A 254 -3.733 10.414 4.828 1.00 0.00 H new ATOM 0 HD22 LEU A 254 -5.490 10.666 4.705 1.00 0.00 H new ATOM 0 HD23 LEU A 254 -4.815 9.769 6.086 1.00 0.00 H new ATOM 421 N LEU A 255 -4.731 5.018 5.446 1.00 0.00 N ATOM 422 CA LEU A 255 -4.221 3.763 4.924 1.00 0.00 C ATOM 423 C LEU A 255 -4.048 3.851 3.415 1.00 0.00 C ATOM 424 O LEU A 255 -4.431 4.839 2.790 1.00 0.00 O ATOM 425 CB LEU A 255 -5.152 2.602 5.289 1.00 0.00 C ATOM 426 CG LEU A 255 -6.252 2.289 4.269 1.00 0.00 C ATOM 427 CD1 LEU A 255 -6.079 0.884 3.711 1.00 0.00 C ATOM 428 CD2 LEU A 255 -7.621 2.443 4.910 1.00 0.00 C ATOM 0 H LEU A 255 -4.204 5.394 6.234 1.00 0.00 H new ATOM 0 HA LEU A 255 -3.248 3.574 5.378 1.00 0.00 H new ATOM 0 HB2 LEU A 255 -4.548 1.706 5.431 1.00 0.00 H new ATOM 0 HB3 LEU A 255 -5.622 2.824 6.247 1.00 0.00 H new ATOM 0 HG LEU A 255 -6.172 2.996 3.444 1.00 0.00 H new ATOM 0 HD11 LEU A 255 -6.869 0.680 2.988 1.00 0.00 H new ATOM 0 HD12 LEU A 255 -5.109 0.804 3.220 1.00 0.00 H new ATOM 0 HD13 LEU A 255 -6.135 0.160 4.524 1.00 0.00 H new ATOM 0 HD21 LEU A 255 -8.394 2.218 4.175 1.00 0.00 H new ATOM 0 HD22 LEU A 255 -7.708 1.755 5.751 1.00 0.00 H new ATOM 0 HD23 LEU A 255 -7.744 3.467 5.264 1.00 0.00 H new ATOM 440 N PRO A 256 -3.460 2.816 2.813 1.00 0.00 N ATOM 441 CA PRO A 256 -3.220 2.764 1.374 1.00 0.00 C ATOM 442 C PRO A 256 -4.499 2.496 0.589 1.00 0.00 C ATOM 443 O PRO A 256 -4.538 1.613 -0.270 1.00 0.00 O ATOM 444 CB PRO A 256 -2.228 1.600 1.208 1.00 0.00 C ATOM 445 CG PRO A 256 -1.854 1.176 2.596 1.00 0.00 C ATOM 446 CD PRO A 256 -2.973 1.619 3.492 1.00 0.00 C ATOM 0 HA PRO A 256 -2.841 3.711 0.991 1.00 0.00 H new ATOM 0 HB2 PRO A 256 -2.682 0.776 0.657 1.00 0.00 H new ATOM 0 HB3 PRO A 256 -1.349 1.914 0.645 1.00 0.00 H new ATOM 0 HG2 PRO A 256 -1.719 0.096 2.649 1.00 0.00 H new ATOM 0 HG3 PRO A 256 -0.911 1.630 2.900 1.00 0.00 H new ATOM 0 HD2 PRO A 256 -3.748 0.858 3.581 1.00 0.00 H new ATOM 0 HD3 PRO A 256 -2.624 1.838 4.501 1.00 0.00 H new ATOM 454 N ALA A 257 -5.542 3.266 0.883 1.00 0.00 N ATOM 455 CA ALA A 257 -6.818 3.114 0.200 1.00 0.00 C ATOM 456 C ALA A 257 -6.621 3.165 -1.307 1.00 0.00 C ATOM 457 O ALA A 257 -7.365 2.544 -2.066 1.00 0.00 O ATOM 458 CB ALA A 257 -7.805 4.186 0.640 1.00 0.00 C ATOM 0 H ALA A 257 -5.527 4.001 1.590 1.00 0.00 H new ATOM 0 HA ALA A 257 -7.231 2.142 0.469 1.00 0.00 H new ATOM 0 HB1 ALA A 257 -8.750 4.049 0.114 1.00 0.00 H new ATOM 0 HB2 ALA A 257 -7.973 4.107 1.714 1.00 0.00 H new ATOM 0 HB3 ALA A 257 -7.400 5.171 0.407 1.00 0.00 H new ATOM 464 N LEU A 258 -5.604 3.907 -1.733 1.00 0.00 N ATOM 465 CA LEU A 258 -5.297 4.035 -3.149 1.00 0.00 C ATOM 466 C LEU A 258 -5.372 2.677 -3.833 1.00 0.00 C ATOM 467 O LEU A 258 -5.895 2.551 -4.942 1.00 0.00 O ATOM 468 CB LEU A 258 -3.906 4.638 -3.335 1.00 0.00 C ATOM 469 CG LEU A 258 -3.821 6.150 -3.113 1.00 0.00 C ATOM 470 CD1 LEU A 258 -4.336 6.898 -4.334 1.00 0.00 C ATOM 471 CD2 LEU A 258 -4.605 6.549 -1.871 1.00 0.00 C ATOM 0 H LEU A 258 -4.980 4.428 -1.117 1.00 0.00 H new ATOM 0 HA LEU A 258 -6.033 4.697 -3.604 1.00 0.00 H new ATOM 0 HB2 LEU A 258 -3.218 4.146 -2.647 1.00 0.00 H new ATOM 0 HB3 LEU A 258 -3.562 4.414 -4.345 1.00 0.00 H new ATOM 0 HG LEU A 258 -2.776 6.419 -2.962 1.00 0.00 H new ATOM 0 HD11 LEU A 258 -4.268 7.972 -4.158 1.00 0.00 H new ATOM 0 HD12 LEU A 258 -3.734 6.634 -5.203 1.00 0.00 H new ATOM 0 HD13 LEU A 258 -5.375 6.625 -4.516 1.00 0.00 H new ATOM 0 HD21 LEU A 258 -4.535 7.627 -1.727 1.00 0.00 H new ATOM 0 HD22 LEU A 258 -5.651 6.267 -1.995 1.00 0.00 H new ATOM 0 HD23 LEU A 258 -4.192 6.039 -1.001 1.00 0.00 H new ATOM 483 N LEU A 259 -4.853 1.657 -3.156 1.00 0.00 N ATOM 484 CA LEU A 259 -4.866 0.303 -3.687 1.00 0.00 C ATOM 485 C LEU A 259 -6.293 -0.228 -3.739 1.00 0.00 C ATOM 486 O LEU A 259 -6.657 -0.978 -4.645 1.00 0.00 O ATOM 487 CB LEU A 259 -3.997 -0.615 -2.825 1.00 0.00 C ATOM 488 CG LEU A 259 -4.179 -2.110 -3.088 1.00 0.00 C ATOM 489 CD1 LEU A 259 -5.437 -2.619 -2.403 1.00 0.00 C ATOM 490 CD2 LEU A 259 -4.235 -2.386 -4.583 1.00 0.00 C ATOM 0 H LEU A 259 -4.418 1.745 -2.238 1.00 0.00 H new ATOM 0 HA LEU A 259 -4.459 0.323 -4.698 1.00 0.00 H new ATOM 0 HB2 LEU A 259 -2.950 -0.358 -2.987 1.00 0.00 H new ATOM 0 HB3 LEU A 259 -4.215 -0.417 -1.776 1.00 0.00 H new ATOM 0 HG LEU A 259 -3.322 -2.641 -2.674 1.00 0.00 H new ATOM 0 HD11 LEU A 259 -5.553 -3.685 -2.600 1.00 0.00 H new ATOM 0 HD12 LEU A 259 -5.358 -2.455 -1.328 1.00 0.00 H new ATOM 0 HD13 LEU A 259 -6.304 -2.083 -2.789 1.00 0.00 H new ATOM 0 HD21 LEU A 259 -4.365 -3.455 -4.751 1.00 0.00 H new ATOM 0 HD22 LEU A 259 -5.074 -1.845 -5.022 1.00 0.00 H new ATOM 0 HD23 LEU A 259 -3.307 -2.056 -5.049 1.00 0.00 H new ATOM 502 N GLN A 260 -7.098 0.177 -2.762 1.00 0.00 N ATOM 503 CA GLN A 260 -8.490 -0.246 -2.698 1.00 0.00 C ATOM 504 C GLN A 260 -9.260 0.283 -3.902 1.00 0.00 C ATOM 505 O GLN A 260 -10.107 -0.409 -4.465 1.00 0.00 O ATOM 506 CB GLN A 260 -9.138 0.249 -1.403 1.00 0.00 C ATOM 507 CG GLN A 260 -10.539 -0.294 -1.178 1.00 0.00 C ATOM 508 CD GLN A 260 -10.741 -0.822 0.230 1.00 0.00 C ATOM 509 OE1 GLN A 260 -10.564 -2.012 0.489 1.00 0.00 O ATOM 510 NE2 GLN A 260 -11.113 0.064 1.145 1.00 0.00 N ATOM 0 H GLN A 260 -6.810 0.797 -2.005 1.00 0.00 H new ATOM 0 HA GLN A 260 -8.521 -1.335 -2.712 1.00 0.00 H new ATOM 0 HB2 GLN A 260 -8.508 -0.034 -0.560 1.00 0.00 H new ATOM 0 HB3 GLN A 260 -9.178 1.338 -1.420 1.00 0.00 H new ATOM 0 HG2 GLN A 260 -11.266 0.494 -1.374 1.00 0.00 H new ATOM 0 HG3 GLN A 260 -10.734 -1.093 -1.893 1.00 0.00 H new ATOM 0 HE21 GLN A 260 -11.248 1.041 0.884 1.00 0.00 H new ATOM 0 HE22 GLN A 260 -11.264 -0.232 2.109 1.00 0.00 H new ATOM 519 N GLN A 261 -8.949 1.515 -4.296 1.00 0.00 N ATOM 520 CA GLN A 261 -9.601 2.138 -5.439 1.00 0.00 C ATOM 521 C GLN A 261 -9.148 1.475 -6.735 1.00 0.00 C ATOM 522 O GLN A 261 -9.922 1.343 -7.682 1.00 0.00 O ATOM 523 CB GLN A 261 -9.288 3.636 -5.480 1.00 0.00 C ATOM 524 CG GLN A 261 -10.310 4.491 -4.752 1.00 0.00 C ATOM 525 CD GLN A 261 -9.668 5.577 -3.909 1.00 0.00 C ATOM 526 OE1 GLN A 261 -9.509 5.428 -2.699 1.00 0.00 O ATOM 527 NE2 GLN A 261 -9.295 6.679 -4.551 1.00 0.00 N ATOM 0 H GLN A 261 -8.249 2.100 -3.839 1.00 0.00 H new ATOM 0 HA GLN A 261 -10.678 2.007 -5.335 1.00 0.00 H new ATOM 0 HB2 GLN A 261 -8.305 3.805 -5.040 1.00 0.00 H new ATOM 0 HB3 GLN A 261 -9.231 3.958 -6.520 1.00 0.00 H new ATOM 0 HG2 GLN A 261 -10.979 4.949 -5.480 1.00 0.00 H new ATOM 0 HG3 GLN A 261 -10.922 3.854 -4.113 1.00 0.00 H new ATOM 0 HE21 GLN A 261 -9.446 6.759 -5.556 1.00 0.00 H new ATOM 0 HE22 GLN A 261 -8.857 7.444 -4.038 1.00 0.00 H new ATOM 536 N LEU A 262 -7.886 1.057 -6.765 1.00 0.00 N ATOM 537 CA LEU A 262 -7.322 0.403 -7.939 1.00 0.00 C ATOM 538 C LEU A 262 -7.880 -1.009 -8.098 1.00 0.00 C ATOM 539 O LEU A 262 -8.322 -1.394 -9.181 1.00 0.00 O ATOM 540 CB LEU A 262 -5.796 0.350 -7.832 1.00 0.00 C ATOM 541 CG LEU A 262 -5.090 1.701 -7.957 1.00 0.00 C ATOM 542 CD1 LEU A 262 -3.587 1.510 -8.074 1.00 0.00 C ATOM 543 CD2 LEU A 262 -5.626 2.472 -9.154 1.00 0.00 C ATOM 0 H LEU A 262 -7.234 1.160 -5.987 1.00 0.00 H new ATOM 0 HA LEU A 262 -7.600 0.985 -8.818 1.00 0.00 H new ATOM 0 HB2 LEU A 262 -5.530 -0.094 -6.873 1.00 0.00 H new ATOM 0 HB3 LEU A 262 -5.416 -0.314 -8.608 1.00 0.00 H new ATOM 0 HG LEU A 262 -5.292 2.280 -7.056 1.00 0.00 H new ATOM 0 HD11 LEU A 262 -3.102 2.482 -8.162 1.00 0.00 H new ATOM 0 HD12 LEU A 262 -3.215 0.998 -7.186 1.00 0.00 H new ATOM 0 HD13 LEU A 262 -3.364 0.912 -8.958 1.00 0.00 H new ATOM 0 HD21 LEU A 262 -5.113 3.431 -9.228 1.00 0.00 H new ATOM 0 HD22 LEU A 262 -5.454 1.897 -10.064 1.00 0.00 H new ATOM 0 HD23 LEU A 262 -6.695 2.641 -9.028 1.00 0.00 H new ATOM 555 N GLY A 263 -7.858 -1.776 -7.014 1.00 0.00 N ATOM 556 CA GLY A 263 -8.363 -3.136 -7.055 1.00 0.00 C ATOM 557 C GLY A 263 -9.874 -3.190 -7.148 1.00 0.00 C ATOM 558 O GLY A 263 -10.436 -4.130 -7.709 1.00 0.00 O ATOM 0 H GLY A 263 -7.499 -1.480 -6.106 1.00 0.00 H new ATOM 0 HA2 GLY A 263 -7.931 -3.655 -7.910 1.00 0.00 H new ATOM 0 HA3 GLY A 263 -8.038 -3.668 -6.161 1.00 0.00 H new ATOM 562 N GLN A 264 -10.532 -2.174 -6.603 1.00 0.00 N ATOM 563 CA GLN A 264 -11.988 -2.103 -6.631 1.00 0.00 C ATOM 564 C GLN A 264 -12.466 -1.529 -7.957 1.00 0.00 C ATOM 565 O GLN A 264 -13.373 -2.069 -8.591 1.00 0.00 O ATOM 566 CB GLN A 264 -12.507 -1.251 -5.473 1.00 0.00 C ATOM 567 CG GLN A 264 -12.445 0.243 -5.743 1.00 0.00 C ATOM 568 CD GLN A 264 -12.773 1.071 -4.516 1.00 0.00 C ATOM 569 OE1 GLN A 264 -11.893 1.394 -3.717 1.00 0.00 O ATOM 570 NE2 GLN A 264 -14.045 1.420 -4.359 1.00 0.00 N ATOM 0 H GLN A 264 -10.080 -1.388 -6.136 1.00 0.00 H new ATOM 0 HA GLN A 264 -12.382 -3.114 -6.523 1.00 0.00 H new ATOM 0 HB2 GLN A 264 -13.539 -1.531 -5.261 1.00 0.00 H new ATOM 0 HB3 GLN A 264 -11.925 -1.475 -4.579 1.00 0.00 H new ATOM 0 HG2 GLN A 264 -11.447 0.504 -6.097 1.00 0.00 H new ATOM 0 HG3 GLN A 264 -13.142 0.493 -6.543 1.00 0.00 H new ATOM 0 HE21 GLN A 264 -14.742 1.131 -5.046 1.00 0.00 H new ATOM 0 HE22 GLN A 264 -14.325 1.977 -3.552 1.00 0.00 H new ATOM 579 N GLU A 265 -11.843 -0.432 -8.375 1.00 0.00 N ATOM 580 CA GLU A 265 -12.195 0.214 -9.629 1.00 0.00 C ATOM 581 C GLU A 265 -12.423 -0.828 -10.716 1.00 0.00 C ATOM 582 O GLU A 265 -13.548 -1.029 -11.173 1.00 0.00 O ATOM 583 CB GLU A 265 -11.088 1.189 -10.049 1.00 0.00 C ATOM 584 CG GLU A 265 -10.990 1.410 -11.551 1.00 0.00 C ATOM 585 CD GLU A 265 -12.347 1.547 -12.213 1.00 0.00 C ATOM 586 OE1 GLU A 265 -13.356 1.644 -11.483 1.00 0.00 O ATOM 587 OE2 GLU A 265 -12.402 1.555 -13.459 1.00 0.00 O ATOM 0 H GLU A 265 -11.091 0.027 -7.861 1.00 0.00 H new ATOM 0 HA GLU A 265 -13.120 0.774 -9.487 1.00 0.00 H new ATOM 0 HB2 GLU A 265 -11.260 2.149 -9.562 1.00 0.00 H new ATOM 0 HB3 GLU A 265 -10.131 0.814 -9.685 1.00 0.00 H new ATOM 0 HG2 GLU A 265 -10.404 2.308 -11.744 1.00 0.00 H new ATOM 0 HG3 GLU A 265 -10.453 0.576 -12.002 1.00 0.00 H new ATOM 594 N ASN A 266 -11.349 -1.494 -11.118 1.00 0.00 N ATOM 595 CA ASN A 266 -11.433 -2.521 -12.143 1.00 0.00 C ATOM 596 C ASN A 266 -11.368 -3.911 -11.522 1.00 0.00 C ATOM 597 O ASN A 266 -10.384 -4.264 -10.872 1.00 0.00 O ATOM 598 CB ASN A 266 -10.309 -2.348 -13.166 1.00 0.00 C ATOM 599 CG ASN A 266 -10.827 -2.306 -14.591 1.00 0.00 C ATOM 600 OD1 ASN A 266 -12.024 -2.142 -14.824 1.00 0.00 O ATOM 601 ND2 ASN A 266 -9.924 -2.455 -15.554 1.00 0.00 N ATOM 0 H ASN A 266 -10.411 -1.340 -10.749 1.00 0.00 H new ATOM 0 HA ASN A 266 -12.391 -2.415 -12.652 1.00 0.00 H new ATOM 0 HB2 ASN A 266 -9.765 -1.428 -12.952 1.00 0.00 H new ATOM 0 HB3 ASN A 266 -9.599 -3.169 -13.064 1.00 0.00 H new ATOM 0 HD21 ASN A 266 -10.213 -2.436 -16.532 1.00 0.00 H new ATOM 0 HD22 ASN A 266 -8.941 -2.589 -15.315 1.00 0.00 H new ATOM 608 N PRO A 267 -12.416 -4.723 -11.718 1.00 0.00 N ATOM 609 CA PRO A 267 -12.471 -6.083 -11.178 1.00 0.00 C ATOM 610 C PRO A 267 -11.271 -6.913 -11.616 1.00 0.00 C ATOM 611 O PRO A 267 -10.935 -7.920 -10.993 1.00 0.00 O ATOM 612 CB PRO A 267 -13.769 -6.663 -11.759 1.00 0.00 C ATOM 613 CG PRO A 267 -14.159 -5.736 -12.863 1.00 0.00 C ATOM 614 CD PRO A 267 -13.622 -4.387 -12.485 1.00 0.00 C ATOM 0 HA PRO A 267 -12.450 -6.090 -10.088 1.00 0.00 H new ATOM 0 HB2 PRO A 267 -13.614 -7.675 -12.132 1.00 0.00 H new ATOM 0 HB3 PRO A 267 -14.549 -6.719 -10.999 1.00 0.00 H new ATOM 0 HG2 PRO A 267 -13.744 -6.068 -13.815 1.00 0.00 H new ATOM 0 HG3 PRO A 267 -15.242 -5.705 -12.981 1.00 0.00 H new ATOM 0 HD2 PRO A 267 -13.389 -3.784 -13.362 1.00 0.00 H new ATOM 0 HD3 PRO A 267 -14.336 -3.819 -11.888 1.00 0.00 H new ATOM 622 N GLN A 268 -10.626 -6.476 -12.692 1.00 0.00 N ATOM 623 CA GLN A 268 -9.456 -7.168 -13.219 1.00 0.00 C ATOM 624 C GLN A 268 -8.172 -6.550 -12.677 1.00 0.00 C ATOM 625 O GLN A 268 -7.128 -7.202 -12.630 1.00 0.00 O ATOM 626 CB GLN A 268 -9.454 -7.121 -14.747 1.00 0.00 C ATOM 627 CG GLN A 268 -8.920 -8.388 -15.394 1.00 0.00 C ATOM 628 CD GLN A 268 -9.880 -8.971 -16.414 1.00 0.00 C ATOM 629 OE1 GLN A 268 -10.976 -8.451 -16.619 1.00 0.00 O ATOM 630 NE2 GLN A 268 -9.469 -10.056 -17.060 1.00 0.00 N ATOM 0 H GLN A 268 -10.895 -5.644 -13.217 1.00 0.00 H new ATOM 0 HA GLN A 268 -9.503 -8.208 -12.896 1.00 0.00 H new ATOM 0 HB2 GLN A 268 -10.471 -6.945 -15.098 1.00 0.00 H new ATOM 0 HB3 GLN A 268 -8.852 -6.274 -15.075 1.00 0.00 H new ATOM 0 HG2 GLN A 268 -7.968 -8.171 -15.879 1.00 0.00 H new ATOM 0 HG3 GLN A 268 -8.722 -9.131 -14.621 1.00 0.00 H new ATOM 0 HE21 GLN A 268 -8.552 -10.453 -16.858 1.00 0.00 H new ATOM 0 HE22 GLN A 268 -10.071 -10.492 -17.759 1.00 0.00 H new ATOM 639 N LEU A 269 -8.255 -5.286 -12.274 1.00 0.00 N ATOM 640 CA LEU A 269 -7.098 -4.577 -11.740 1.00 0.00 C ATOM 641 C LEU A 269 -6.460 -5.357 -10.597 1.00 0.00 C ATOM 642 O LEU A 269 -5.257 -5.608 -10.601 1.00 0.00 O ATOM 643 CB LEU A 269 -7.500 -3.180 -11.260 1.00 0.00 C ATOM 644 CG LEU A 269 -6.624 -2.041 -11.786 1.00 0.00 C ATOM 645 CD1 LEU A 269 -7.337 -1.289 -12.899 1.00 0.00 C ATOM 646 CD2 LEU A 269 -6.246 -1.093 -10.658 1.00 0.00 C ATOM 0 H LEU A 269 -9.111 -4.732 -12.307 1.00 0.00 H new ATOM 0 HA LEU A 269 -6.366 -4.479 -12.541 1.00 0.00 H new ATOM 0 HB2 LEU A 269 -8.532 -2.992 -11.558 1.00 0.00 H new ATOM 0 HB3 LEU A 269 -7.475 -3.165 -10.170 1.00 0.00 H new ATOM 0 HG LEU A 269 -5.709 -2.472 -12.194 1.00 0.00 H new ATOM 0 HD11 LEU A 269 -6.699 -0.483 -13.260 1.00 0.00 H new ATOM 0 HD12 LEU A 269 -7.556 -1.974 -13.718 1.00 0.00 H new ATOM 0 HD13 LEU A 269 -8.268 -0.871 -12.517 1.00 0.00 H new ATOM 0 HD21 LEU A 269 -5.623 -0.290 -11.051 1.00 0.00 H new ATOM 0 HD22 LEU A 269 -7.150 -0.670 -10.220 1.00 0.00 H new ATOM 0 HD23 LEU A 269 -5.694 -1.639 -9.893 1.00 0.00 H new ATOM 658 N LEU A 270 -7.274 -5.740 -9.619 1.00 0.00 N ATOM 659 CA LEU A 270 -6.782 -6.492 -8.471 1.00 0.00 C ATOM 660 C LEU A 270 -6.093 -7.778 -8.918 1.00 0.00 C ATOM 661 O LEU A 270 -4.930 -8.019 -8.589 1.00 0.00 O ATOM 662 CB LEU A 270 -7.932 -6.823 -7.519 1.00 0.00 C ATOM 663 CG LEU A 270 -7.509 -7.448 -6.188 1.00 0.00 C ATOM 664 CD1 LEU A 270 -7.293 -6.371 -5.138 1.00 0.00 C ATOM 665 CD2 LEU A 270 -8.548 -8.454 -5.718 1.00 0.00 C ATOM 0 H LEU A 270 -8.275 -5.543 -9.598 1.00 0.00 H new ATOM 0 HA LEU A 270 -6.054 -5.872 -7.948 1.00 0.00 H new ATOM 0 HB2 LEU A 270 -8.488 -5.909 -7.313 1.00 0.00 H new ATOM 0 HB3 LEU A 270 -8.616 -7.506 -8.023 1.00 0.00 H new ATOM 0 HG LEU A 270 -6.566 -7.974 -6.338 1.00 0.00 H new ATOM 0 HD11 LEU A 270 -6.993 -6.834 -4.198 1.00 0.00 H new ATOM 0 HD12 LEU A 270 -6.512 -5.689 -5.472 1.00 0.00 H new ATOM 0 HD13 LEU A 270 -8.220 -5.817 -4.989 1.00 0.00 H new ATOM 0 HD21 LEU A 270 -8.231 -8.889 -4.770 1.00 0.00 H new ATOM 0 HD22 LEU A 270 -9.506 -7.952 -5.584 1.00 0.00 H new ATOM 0 HD23 LEU A 270 -8.653 -9.244 -6.462 1.00 0.00 H new ATOM 677 N GLN A 271 -6.817 -8.599 -9.671 1.00 0.00 N ATOM 678 CA GLN A 271 -6.276 -9.860 -10.164 1.00 0.00 C ATOM 679 C GLN A 271 -4.927 -9.646 -10.840 1.00 0.00 C ATOM 680 O GLN A 271 -3.893 -10.097 -10.347 1.00 0.00 O ATOM 681 CB GLN A 271 -7.251 -10.507 -11.148 1.00 0.00 C ATOM 682 CG GLN A 271 -6.884 -11.934 -11.520 1.00 0.00 C ATOM 683 CD GLN A 271 -6.539 -12.083 -12.989 1.00 0.00 C ATOM 684 OE1 GLN A 271 -5.394 -12.364 -13.344 1.00 0.00 O ATOM 685 NE2 GLN A 271 -7.531 -11.895 -13.851 1.00 0.00 N ATOM 0 H GLN A 271 -7.780 -8.414 -9.953 1.00 0.00 H new ATOM 0 HA GLN A 271 -6.135 -10.523 -9.311 1.00 0.00 H new ATOM 0 HB2 GLN A 271 -8.251 -10.499 -10.714 1.00 0.00 H new ATOM 0 HB3 GLN A 271 -7.293 -9.903 -12.055 1.00 0.00 H new ATOM 0 HG2 GLN A 271 -6.035 -12.256 -10.917 1.00 0.00 H new ATOM 0 HG3 GLN A 271 -7.716 -12.594 -11.277 1.00 0.00 H new ATOM 0 HE21 GLN A 271 -8.465 -11.664 -13.512 1.00 0.00 H new ATOM 0 HE22 GLN A 271 -7.360 -11.982 -14.853 1.00 0.00 H new ATOM 694 N GLN A 272 -4.945 -8.954 -11.974 1.00 0.00 N ATOM 695 CA GLN A 272 -3.724 -8.678 -12.722 1.00 0.00 C ATOM 696 C GLN A 272 -2.680 -8.007 -11.834 1.00 0.00 C ATOM 697 O GLN A 272 -1.478 -8.193 -12.025 1.00 0.00 O ATOM 698 CB GLN A 272 -4.030 -7.789 -13.928 1.00 0.00 C ATOM 699 CG GLN A 272 -5.103 -8.356 -14.844 1.00 0.00 C ATOM 700 CD GLN A 272 -4.668 -9.640 -15.525 1.00 0.00 C ATOM 701 OE1 GLN A 272 -3.903 -10.426 -14.964 1.00 0.00 O ATOM 702 NE2 GLN A 272 -5.156 -9.859 -16.741 1.00 0.00 N ATOM 0 H GLN A 272 -5.792 -8.574 -12.396 1.00 0.00 H new ATOM 0 HA GLN A 272 -3.320 -9.628 -13.072 1.00 0.00 H new ATOM 0 HB2 GLN A 272 -4.347 -6.808 -13.575 1.00 0.00 H new ATOM 0 HB3 GLN A 272 -3.115 -7.641 -14.502 1.00 0.00 H new ATOM 0 HG2 GLN A 272 -6.007 -8.544 -14.265 1.00 0.00 H new ATOM 0 HG3 GLN A 272 -5.358 -7.615 -15.602 1.00 0.00 H new ATOM 0 HE21 GLN A 272 -5.787 -9.180 -17.167 1.00 0.00 H new ATOM 0 HE22 GLN A 272 -4.900 -10.706 -17.248 1.00 0.00 H new ATOM 711 N ILE A 273 -3.146 -7.229 -10.862 1.00 0.00 N ATOM 712 CA ILE A 273 -2.250 -6.536 -9.946 1.00 0.00 C ATOM 713 C ILE A 273 -1.456 -7.538 -9.112 1.00 0.00 C ATOM 714 O ILE A 273 -0.317 -7.275 -8.726 1.00 0.00 O ATOM 715 CB ILE A 273 -3.032 -5.570 -9.019 1.00 0.00 C ATOM 716 CG1 ILE A 273 -3.251 -4.229 -9.722 1.00 0.00 C ATOM 717 CG2 ILE A 273 -2.307 -5.355 -7.694 1.00 0.00 C ATOM 718 CD1 ILE A 273 -4.316 -3.372 -9.070 1.00 0.00 C ATOM 0 H ILE A 273 -4.138 -7.063 -10.689 1.00 0.00 H new ATOM 0 HA ILE A 273 -1.555 -5.946 -10.544 1.00 0.00 H new ATOM 0 HB ILE A 273 -3.998 -6.026 -8.801 1.00 0.00 H new ATOM 0 HG12 ILE A 273 -2.311 -3.678 -9.737 1.00 0.00 H new ATOM 0 HG13 ILE A 273 -3.529 -4.413 -10.760 1.00 0.00 H new ATOM 0 HG21 ILE A 273 -2.884 -4.673 -7.070 1.00 0.00 H new ATOM 0 HG22 ILE A 273 -2.196 -6.310 -7.181 1.00 0.00 H new ATOM 0 HG23 ILE A 273 -1.322 -4.928 -7.883 1.00 0.00 H new ATOM 0 HD11 ILE A 273 -4.418 -2.437 -9.621 1.00 0.00 H new ATOM 0 HD12 ILE A 273 -5.267 -3.904 -9.079 1.00 0.00 H new ATOM 0 HD13 ILE A 273 -4.030 -3.157 -8.040 1.00 0.00 H new ATOM 730 N SER A 274 -2.062 -8.690 -8.844 1.00 0.00 N ATOM 731 CA SER A 274 -1.404 -9.730 -8.063 1.00 0.00 C ATOM 732 C SER A 274 -0.006 -10.004 -8.607 1.00 0.00 C ATOM 733 O SER A 274 0.861 -10.509 -7.894 1.00 0.00 O ATOM 734 CB SER A 274 -2.234 -11.015 -8.083 1.00 0.00 C ATOM 735 OG SER A 274 -3.329 -10.930 -7.186 1.00 0.00 O ATOM 0 H SER A 274 -3.004 -8.926 -9.155 1.00 0.00 H new ATOM 0 HA SER A 274 -1.316 -9.382 -7.034 1.00 0.00 H new ATOM 0 HB2 SER A 274 -2.601 -11.199 -9.093 1.00 0.00 H new ATOM 0 HB3 SER A 274 -1.604 -11.863 -7.813 1.00 0.00 H new ATOM 0 HG SER A 274 -3.844 -11.763 -7.219 1.00 0.00 H new ATOM 741 N ARG A 275 0.204 -9.662 -9.874 1.00 0.00 N ATOM 742 CA ARG A 275 1.496 -9.865 -10.519 1.00 0.00 C ATOM 743 C ARG A 275 2.615 -9.212 -9.716 1.00 0.00 C ATOM 744 O ARG A 275 3.561 -9.878 -9.297 1.00 0.00 O ATOM 745 CB ARG A 275 1.473 -9.296 -11.940 1.00 0.00 C ATOM 746 CG ARG A 275 2.809 -9.400 -12.657 1.00 0.00 C ATOM 747 CD ARG A 275 3.108 -10.832 -13.073 1.00 0.00 C ATOM 748 NE ARG A 275 2.770 -11.078 -14.471 1.00 0.00 N ATOM 749 CZ ARG A 275 2.620 -12.293 -14.989 1.00 0.00 C ATOM 750 NH1 ARG A 275 2.775 -13.365 -14.225 1.00 0.00 N ATOM 751 NH2 ARG A 275 2.313 -12.436 -16.271 1.00 0.00 N ATOM 0 H ARG A 275 -0.505 -9.242 -10.475 1.00 0.00 H new ATOM 0 HA ARG A 275 1.687 -10.937 -10.566 1.00 0.00 H new ATOM 0 HB2 ARG A 275 0.716 -9.822 -12.521 1.00 0.00 H new ATOM 0 HB3 ARG A 275 1.172 -8.249 -11.899 1.00 0.00 H new ATOM 0 HG2 ARG A 275 2.801 -8.758 -13.538 1.00 0.00 H new ATOM 0 HG3 ARG A 275 3.603 -9.036 -12.004 1.00 0.00 H new ATOM 0 HD2 ARG A 275 4.166 -11.042 -12.913 1.00 0.00 H new ATOM 0 HD3 ARG A 275 2.547 -11.518 -12.438 1.00 0.00 H new ATOM 0 HE ARG A 275 2.642 -10.273 -15.085 1.00 0.00 H new ATOM 0 HH11 ARG A 275 3.010 -13.258 -13.238 1.00 0.00 H new ATOM 0 HH12 ARG A 275 2.660 -14.297 -14.624 1.00 0.00 H new ATOM 0 HH21 ARG A 275 2.192 -11.613 -16.861 1.00 0.00 H new ATOM 0 HH22 ARG A 275 2.198 -13.369 -16.667 1.00 0.00 H new ATOM 765 N HIS A 276 2.502 -7.905 -9.506 1.00 0.00 N ATOM 766 CA HIS A 276 3.507 -7.163 -8.753 1.00 0.00 C ATOM 767 C HIS A 276 3.060 -6.953 -7.310 1.00 0.00 C ATOM 768 O HIS A 276 3.479 -5.999 -6.653 1.00 0.00 O ATOM 769 CB HIS A 276 3.777 -5.813 -9.417 1.00 0.00 C ATOM 770 CG HIS A 276 5.177 -5.668 -9.929 1.00 0.00 C ATOM 771 ND1 HIS A 276 6.081 -4.769 -9.403 1.00 0.00 N ATOM 772 CD2 HIS A 276 5.829 -6.316 -10.923 1.00 0.00 C ATOM 773 CE1 HIS A 276 7.227 -4.869 -10.054 1.00 0.00 C ATOM 774 NE2 HIS A 276 7.100 -5.800 -10.980 1.00 0.00 N ATOM 0 H HIS A 276 1.725 -7.338 -9.846 1.00 0.00 H new ATOM 0 HA HIS A 276 4.427 -7.748 -8.748 1.00 0.00 H new ATOM 0 HB2 HIS A 276 3.080 -5.678 -10.244 1.00 0.00 H new ATOM 0 HB3 HIS A 276 3.577 -5.018 -8.699 1.00 0.00 H new ATOM 0 HD2 HIS A 276 5.425 -7.094 -11.554 1.00 0.00 H new ATOM 0 HE1 HIS A 276 8.116 -4.287 -9.861 1.00 0.00 H new ATOM 0 HE2 HIS A 276 7.828 -6.090 -11.633 1.00 0.00 H new ATOM 783 N GLN A 277 2.210 -7.850 -6.822 1.00 0.00 N ATOM 784 CA GLN A 277 1.709 -7.763 -5.456 1.00 0.00 C ATOM 785 C GLN A 277 2.862 -7.664 -4.461 1.00 0.00 C ATOM 786 O GLN A 277 2.987 -6.677 -3.737 1.00 0.00 O ATOM 787 CB GLN A 277 0.841 -8.980 -5.131 1.00 0.00 C ATOM 788 CG GLN A 277 -0.043 -8.788 -3.908 1.00 0.00 C ATOM 789 CD GLN A 277 0.189 -9.849 -2.850 1.00 0.00 C ATOM 790 OE1 GLN A 277 0.767 -9.577 -1.797 1.00 0.00 O ATOM 791 NE2 GLN A 277 -0.263 -11.068 -3.124 1.00 0.00 N ATOM 0 H GLN A 277 1.854 -8.645 -7.352 1.00 0.00 H new ATOM 0 HA GLN A 277 1.102 -6.861 -5.373 1.00 0.00 H new ATOM 0 HB2 GLN A 277 0.212 -9.207 -5.992 1.00 0.00 H new ATOM 0 HB3 GLN A 277 1.486 -9.844 -4.971 1.00 0.00 H new ATOM 0 HG2 GLN A 277 0.146 -7.804 -3.478 1.00 0.00 H new ATOM 0 HG3 GLN A 277 -1.089 -8.807 -4.214 1.00 0.00 H new ATOM 0 HE21 GLN A 277 -0.736 -11.249 -4.009 1.00 0.00 H new ATOM 0 HE22 GLN A 277 -0.137 -11.822 -2.449 1.00 0.00 H new ATOM 800 N GLU A 278 3.701 -8.692 -4.434 1.00 0.00 N ATOM 801 CA GLU A 278 4.844 -8.722 -3.528 1.00 0.00 C ATOM 802 C GLU A 278 5.615 -7.408 -3.586 1.00 0.00 C ATOM 803 O GLU A 278 6.004 -6.860 -2.554 1.00 0.00 O ATOM 804 CB GLU A 278 5.771 -9.888 -3.881 1.00 0.00 C ATOM 805 CG GLU A 278 5.546 -11.123 -3.024 1.00 0.00 C ATOM 806 CD GLU A 278 6.738 -12.060 -3.028 1.00 0.00 C ATOM 807 OE1 GLU A 278 7.525 -12.017 -3.998 1.00 0.00 O ATOM 808 OE2 GLU A 278 6.887 -12.836 -2.061 1.00 0.00 O ATOM 0 H GLU A 278 3.612 -9.516 -5.029 1.00 0.00 H new ATOM 0 HA GLU A 278 4.470 -8.860 -2.513 1.00 0.00 H new ATOM 0 HB2 GLU A 278 5.627 -10.152 -4.929 1.00 0.00 H new ATOM 0 HB3 GLU A 278 6.806 -9.564 -3.773 1.00 0.00 H new ATOM 0 HG2 GLU A 278 5.333 -10.816 -2.000 1.00 0.00 H new ATOM 0 HG3 GLU A 278 4.667 -11.657 -3.386 1.00 0.00 H new ATOM 815 N GLN A 279 5.831 -6.906 -4.797 1.00 0.00 N ATOM 816 CA GLN A 279 6.554 -5.655 -4.988 1.00 0.00 C ATOM 817 C GLN A 279 5.734 -4.473 -4.481 1.00 0.00 C ATOM 818 O GLN A 279 6.206 -3.681 -3.664 1.00 0.00 O ATOM 819 CB GLN A 279 6.894 -5.457 -6.467 1.00 0.00 C ATOM 820 CG GLN A 279 7.457 -6.702 -7.132 1.00 0.00 C ATOM 821 CD GLN A 279 8.817 -7.089 -6.586 1.00 0.00 C ATOM 822 OE1 GLN A 279 9.123 -6.846 -5.418 1.00 0.00 O ATOM 823 NE2 GLN A 279 9.645 -7.696 -7.429 1.00 0.00 N ATOM 0 H GLN A 279 5.515 -7.347 -5.661 1.00 0.00 H new ATOM 0 HA GLN A 279 7.479 -5.707 -4.414 1.00 0.00 H new ATOM 0 HB2 GLN A 279 5.995 -5.145 -6.999 1.00 0.00 H new ATOM 0 HB3 GLN A 279 7.617 -4.647 -6.560 1.00 0.00 H new ATOM 0 HG2 GLN A 279 6.763 -7.531 -6.990 1.00 0.00 H new ATOM 0 HG3 GLN A 279 7.535 -6.532 -8.206 1.00 0.00 H new ATOM 0 HE21 GLN A 279 9.352 -7.879 -8.389 1.00 0.00 H new ATOM 0 HE22 GLN A 279 10.574 -7.979 -7.116 1.00 0.00 H new ATOM 832 N PHE A 280 4.502 -4.359 -4.970 1.00 0.00 N ATOM 833 CA PHE A 280 3.619 -3.274 -4.563 1.00 0.00 C ATOM 834 C PHE A 280 3.585 -3.148 -3.044 1.00 0.00 C ATOM 835 O PHE A 280 3.887 -2.090 -2.491 1.00 0.00 O ATOM 836 CB PHE A 280 2.206 -3.507 -5.102 1.00 0.00 C ATOM 837 CG PHE A 280 1.366 -2.263 -5.133 1.00 0.00 C ATOM 838 CD1 PHE A 280 1.607 -1.271 -6.070 1.00 0.00 C ATOM 839 CD2 PHE A 280 0.337 -2.084 -4.222 1.00 0.00 C ATOM 840 CE1 PHE A 280 0.836 -0.124 -6.100 1.00 0.00 C ATOM 841 CE2 PHE A 280 -0.437 -0.939 -4.246 1.00 0.00 C ATOM 842 CZ PHE A 280 -0.187 0.042 -5.187 1.00 0.00 C ATOM 0 H PHE A 280 4.095 -5.004 -5.647 1.00 0.00 H new ATOM 0 HA PHE A 280 4.007 -2.344 -4.979 1.00 0.00 H new ATOM 0 HB2 PHE A 280 2.273 -3.916 -6.110 1.00 0.00 H new ATOM 0 HB3 PHE A 280 1.709 -4.256 -4.486 1.00 0.00 H new ATOM 0 HD1 PHE A 280 2.407 -1.395 -6.785 1.00 0.00 H new ATOM 0 HD2 PHE A 280 0.138 -2.848 -3.485 1.00 0.00 H new ATOM 0 HE1 PHE A 280 1.033 0.641 -6.836 1.00 0.00 H new ATOM 0 HE2 PHE A 280 -1.236 -0.811 -3.531 1.00 0.00 H new ATOM 0 HZ PHE A 280 -0.791 0.937 -5.208 1.00 0.00 H new ATOM 852 N ILE A 281 3.225 -4.237 -2.373 1.00 0.00 N ATOM 853 CA ILE A 281 3.166 -4.244 -0.919 1.00 0.00 C ATOM 854 C ILE A 281 4.561 -4.075 -0.335 1.00 0.00 C ATOM 855 O ILE A 281 4.726 -3.554 0.768 1.00 0.00 O ATOM 856 CB ILE A 281 2.546 -5.547 -0.379 1.00 0.00 C ATOM 857 CG1 ILE A 281 1.320 -5.935 -1.208 1.00 0.00 C ATOM 858 CG2 ILE A 281 2.172 -5.383 1.086 1.00 0.00 C ATOM 859 CD1 ILE A 281 0.439 -6.968 -0.538 1.00 0.00 C ATOM 0 H ILE A 281 2.971 -5.122 -2.812 1.00 0.00 H new ATOM 0 HA ILE A 281 2.532 -3.410 -0.616 1.00 0.00 H new ATOM 0 HB ILE A 281 3.282 -6.346 -0.460 1.00 0.00 H new ATOM 0 HG12 ILE A 281 0.730 -5.041 -1.409 1.00 0.00 H new ATOM 0 HG13 ILE A 281 1.651 -6.322 -2.172 1.00 0.00 H new ATOM 0 HG21 ILE A 281 1.735 -6.310 1.456 1.00 0.00 H new ATOM 0 HG22 ILE A 281 3.065 -5.146 1.665 1.00 0.00 H new ATOM 0 HG23 ILE A 281 1.448 -4.575 1.188 1.00 0.00 H new ATOM 0 HD11 ILE A 281 -0.410 -7.195 -1.182 1.00 0.00 H new ATOM 0 HD12 ILE A 281 1.014 -7.877 -0.362 1.00 0.00 H new ATOM 0 HD13 ILE A 281 0.078 -6.577 0.413 1.00 0.00 H new ATOM 871 N GLN A 282 5.564 -4.506 -1.093 1.00 0.00 N ATOM 872 CA GLN A 282 6.949 -4.389 -0.660 1.00 0.00 C ATOM 873 C GLN A 282 7.252 -2.946 -0.280 1.00 0.00 C ATOM 874 O GLN A 282 7.856 -2.677 0.759 1.00 0.00 O ATOM 875 CB GLN A 282 7.898 -4.851 -1.768 1.00 0.00 C ATOM 876 CG GLN A 282 8.845 -5.958 -1.335 1.00 0.00 C ATOM 877 CD GLN A 282 10.294 -5.640 -1.648 1.00 0.00 C ATOM 878 OE1 GLN A 282 10.760 -4.524 -1.419 1.00 0.00 O ATOM 879 NE2 GLN A 282 11.015 -6.623 -2.175 1.00 0.00 N ATOM 0 H GLN A 282 5.442 -4.939 -2.009 1.00 0.00 H new ATOM 0 HA GLN A 282 7.098 -5.027 0.211 1.00 0.00 H new ATOM 0 HB2 GLN A 282 7.310 -5.199 -2.617 1.00 0.00 H new ATOM 0 HB3 GLN A 282 8.483 -3.998 -2.113 1.00 0.00 H new ATOM 0 HG2 GLN A 282 8.737 -6.125 -0.263 1.00 0.00 H new ATOM 0 HG3 GLN A 282 8.565 -6.886 -1.833 1.00 0.00 H new ATOM 0 HE21 GLN A 282 10.588 -7.533 -2.348 1.00 0.00 H new ATOM 0 HE22 GLN A 282 11.996 -6.468 -2.407 1.00 0.00 H new ATOM 888 N MET A 283 6.812 -2.020 -1.125 1.00 0.00 N ATOM 889 CA MET A 283 7.018 -0.599 -0.877 1.00 0.00 C ATOM 890 C MET A 283 6.083 -0.120 0.228 1.00 0.00 C ATOM 891 O MET A 283 6.498 0.589 1.145 1.00 0.00 O ATOM 892 CB MET A 283 6.777 0.207 -2.154 1.00 0.00 C ATOM 893 CG MET A 283 8.049 0.513 -2.929 1.00 0.00 C ATOM 894 SD MET A 283 8.284 -0.584 -4.339 1.00 0.00 S ATOM 895 CE MET A 283 9.755 0.123 -5.076 1.00 0.00 C ATOM 0 H MET A 283 6.310 -2.229 -1.988 1.00 0.00 H new ATOM 0 HA MET A 283 8.050 -0.447 -0.560 1.00 0.00 H new ATOM 0 HB2 MET A 283 6.093 -0.345 -2.798 1.00 0.00 H new ATOM 0 HB3 MET A 283 6.285 1.144 -1.895 1.00 0.00 H new ATOM 0 HG2 MET A 283 8.018 1.545 -3.278 1.00 0.00 H new ATOM 0 HG3 MET A 283 8.906 0.428 -2.261 1.00 0.00 H new ATOM 0 HE1 MET A 283 10.028 -0.448 -5.963 1.00 0.00 H new ATOM 0 HE2 MET A 283 9.560 1.158 -5.357 1.00 0.00 H new ATOM 0 HE3 MET A 283 10.574 0.090 -4.357 1.00 0.00 H new ATOM 905 N LEU A 284 4.820 -0.527 0.139 1.00 0.00 N ATOM 906 CA LEU A 284 3.823 -0.155 1.135 1.00 0.00 C ATOM 907 C LEU A 284 4.386 -0.354 2.533 1.00 0.00 C ATOM 908 O LEU A 284 3.983 0.317 3.483 1.00 0.00 O ATOM 909 CB LEU A 284 2.554 -0.991 0.957 1.00 0.00 C ATOM 910 CG LEU A 284 1.245 -0.202 1.015 1.00 0.00 C ATOM 911 CD1 LEU A 284 1.037 0.385 2.403 1.00 0.00 C ATOM 912 CD2 LEU A 284 1.236 0.895 -0.037 1.00 0.00 C ATOM 0 H LEU A 284 4.463 -1.115 -0.614 1.00 0.00 H new ATOM 0 HA LEU A 284 3.569 0.896 1.000 1.00 0.00 H new ATOM 0 HB2 LEU A 284 2.608 -1.506 -0.002 1.00 0.00 H new ATOM 0 HB3 LEU A 284 2.532 -1.759 1.730 1.00 0.00 H new ATOM 0 HG LEU A 284 0.422 -0.885 0.805 1.00 0.00 H new ATOM 0 HD11 LEU A 284 0.101 0.943 2.426 1.00 0.00 H new ATOM 0 HD12 LEU A 284 0.997 -0.420 3.136 1.00 0.00 H new ATOM 0 HD13 LEU A 284 1.864 1.054 2.643 1.00 0.00 H new ATOM 0 HD21 LEU A 284 0.297 1.446 0.019 1.00 0.00 H new ATOM 0 HD22 LEU A 284 2.068 1.577 0.141 1.00 0.00 H new ATOM 0 HD23 LEU A 284 1.337 0.450 -1.027 1.00 0.00 H new ATOM 924 N ASN A 285 5.336 -1.276 2.644 1.00 0.00 N ATOM 925 CA ASN A 285 5.978 -1.565 3.917 1.00 0.00 C ATOM 926 C ASN A 285 7.219 -0.698 4.089 1.00 0.00 C ATOM 927 O ASN A 285 8.230 -1.147 4.629 1.00 0.00 O ATOM 928 CB ASN A 285 6.355 -3.045 4.001 1.00 0.00 C ATOM 929 CG ASN A 285 6.408 -3.546 5.432 1.00 0.00 C ATOM 930 OD1 ASN A 285 5.439 -4.111 5.940 1.00 0.00 O ATOM 931 ND2 ASN A 285 7.543 -3.340 6.089 1.00 0.00 N ATOM 0 H ASN A 285 5.678 -1.837 1.864 1.00 0.00 H new ATOM 0 HA ASN A 285 5.275 -1.338 4.719 1.00 0.00 H new ATOM 0 HB2 ASN A 285 5.631 -3.634 3.439 1.00 0.00 H new ATOM 0 HB3 ASN A 285 7.326 -3.198 3.529 1.00 0.00 H new ATOM 0 HD21 ASN A 285 7.638 -3.654 7.055 1.00 0.00 H new ATOM 0 HD22 ASN A 285 8.320 -2.867 5.628 1.00 0.00 H new ATOM 938 N GLU A 286 7.125 0.545 3.617 1.00 0.00 N ATOM 939 CA GLU A 286 8.231 1.500 3.702 1.00 0.00 C ATOM 940 C GLU A 286 9.133 1.200 4.896 1.00 0.00 C ATOM 941 O GLU A 286 10.337 0.994 4.741 1.00 0.00 O ATOM 942 CB GLU A 286 7.687 2.925 3.815 1.00 0.00 C ATOM 943 CG GLU A 286 8.698 3.922 4.361 1.00 0.00 C ATOM 944 CD GLU A 286 10.005 3.906 3.594 1.00 0.00 C ATOM 945 OE1 GLU A 286 10.472 2.804 3.238 1.00 0.00 O ATOM 946 OE2 GLU A 286 10.562 4.996 3.348 1.00 0.00 O ATOM 0 H GLU A 286 6.288 0.917 3.168 1.00 0.00 H new ATOM 0 HA GLU A 286 8.824 1.406 2.792 1.00 0.00 H new ATOM 0 HB2 GLU A 286 7.356 3.258 2.831 1.00 0.00 H new ATOM 0 HB3 GLU A 286 6.809 2.920 4.461 1.00 0.00 H new ATOM 0 HG2 GLU A 286 8.271 4.924 4.323 1.00 0.00 H new ATOM 0 HG3 GLU A 286 8.894 3.698 5.410 1.00 0.00 H new