USER MOD reduce.3.24.130724 H: found=0, std=0, add=461, rem=0, adj=4 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 238 GLN : amide:sc= -3.65! C(o=-10!,f=-14!) USER MOD Set 1.2: A 240 GLN : amide:sc= -6.82! C(o=-10!,f=-15!) USER MOD Single : A 242 GLN : amide:sc= -1.82 K(o=-1.8,f=-3.9!) USER MOD Single : A 243 ASN : amide:sc= -1.13 K(o=-1.1,f=-4!) USER MOD Single : A 244 MET CE :methyl 168:sc= -8.1! (180deg=-8.52!) USER MOD Single : A 246 GLN : amide:sc= -0.311 K(o=-0.31,f=-3.1!) USER MOD Single : A 249 GLN :FLIP amide:sc= -0.842 F(o=-2.4!,f=-0.84) USER MOD Single : A 250 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 251 ASN : amide:sc= -0.138 K(o=-0.14,f=-1.7!) USER MOD Single : A 260 GLN : amide:sc= -0.229 K(o=-0.23,f=-1.7!) USER MOD Single : A 261 GLN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 264 GLN : amide:sc=-0.000742 X(o=-0.00074,f=0) USER MOD Single : A 266 ASN : amide:sc= -1.64 K(o=-1.6,f=-4.5!) USER MOD Single : A 268 GLN : amide:sc= -0.286 K(o=-0.29,f=-3!) USER MOD Single : A 271 GLN : amide:sc= 0 K(o=0,f=-0.7) USER MOD Single : A 272 GLN : amide:sc= -0.401 X(o=-0.4,f=-0.4) USER MOD Single : A 274 SER OG : rot 180:sc= -0.0542 USER MOD Single : A 276 HIS : no HE2:sc= -18.6! C(o=-19!,f=-18!) USER MOD Single : A 277 GLN : amide:sc= -0.47 K(o=-0.47,f=-6.9!) USER MOD Single : A 279 GLN : amide:sc= -0.348 X(o=-0.35,f=0) USER MOD Single : A 282 GLN : amide:sc=-0.00313 X(o=-0.0031,f=-0.055) 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 -1.350 -3.097 -13.914 1.00 0.00 N ATOM 30 CA LEU A 232 -0.410 -2.811 -12.838 1.00 0.00 C ATOM 31 C LEU A 232 0.909 -2.283 -13.395 1.00 0.00 C ATOM 32 O LEU A 232 1.798 -1.886 -12.641 1.00 0.00 O ATOM 33 CB LEU A 232 -0.159 -4.071 -12.007 1.00 0.00 C ATOM 34 CG LEU A 232 -0.462 -3.934 -10.514 1.00 0.00 C ATOM 35 CD1 LEU A 232 0.220 -5.041 -9.725 1.00 0.00 C ATOM 36 CD2 LEU A 232 -0.024 -2.572 -10.004 1.00 0.00 C ATOM 0 HA LEU A 232 -0.847 -2.043 -12.199 1.00 0.00 H new ATOM 0 HB2 LEU A 232 -0.765 -4.881 -12.412 1.00 0.00 H new ATOM 0 HB3 LEU A 232 0.884 -4.363 -12.125 1.00 0.00 H new ATOM 0 HG LEU A 232 -1.539 -4.025 -10.374 1.00 0.00 H new ATOM 0 HD11 LEU A 232 -0.008 -4.926 -8.665 1.00 0.00 H new ATOM 0 HD12 LEU A 232 -0.141 -6.010 -10.071 1.00 0.00 H new ATOM 0 HD13 LEU A 232 1.298 -4.982 -9.873 1.00 0.00 H new ATOM 0 HD21 LEU A 232 -0.248 -2.493 -8.940 1.00 0.00 H new ATOM 0 HD22 LEU A 232 1.048 -2.453 -10.159 1.00 0.00 H new ATOM 0 HD23 LEU A 232 -0.558 -1.792 -10.546 1.00 0.00 H new ATOM 48 N GLU A 233 1.030 -2.280 -14.720 1.00 0.00 N ATOM 49 CA GLU A 233 2.241 -1.801 -15.376 1.00 0.00 C ATOM 50 C GLU A 233 2.584 -0.393 -14.908 1.00 0.00 C ATOM 51 O GLU A 233 3.703 -0.131 -14.465 1.00 0.00 O ATOM 52 CB GLU A 233 2.064 -1.818 -16.895 1.00 0.00 C ATOM 53 CG GLU A 233 1.864 -3.211 -17.469 1.00 0.00 C ATOM 54 CD GLU A 233 3.119 -4.058 -17.392 1.00 0.00 C ATOM 55 OE1 GLU A 233 3.375 -4.646 -16.321 1.00 0.00 O ATOM 56 OE2 GLU A 233 3.846 -4.135 -18.405 1.00 0.00 O ATOM 0 H GLU A 233 0.304 -2.604 -15.359 1.00 0.00 H new ATOM 0 HA GLU A 233 3.061 -2.467 -15.107 1.00 0.00 H new ATOM 0 HB2 GLU A 233 1.207 -1.199 -17.159 1.00 0.00 H new ATOM 0 HB3 GLU A 233 2.940 -1.365 -17.360 1.00 0.00 H new ATOM 0 HG2 GLU A 233 1.059 -3.710 -16.929 1.00 0.00 H new ATOM 0 HG3 GLU A 233 1.548 -3.130 -18.509 1.00 0.00 H new ATOM 63 N PHE A 234 1.615 0.511 -15.005 1.00 0.00 N ATOM 64 CA PHE A 234 1.822 1.892 -14.586 1.00 0.00 C ATOM 65 C PHE A 234 2.214 1.952 -13.114 1.00 0.00 C ATOM 66 O PHE A 234 3.278 2.461 -12.766 1.00 0.00 O ATOM 67 CB PHE A 234 0.568 2.739 -14.830 1.00 0.00 C ATOM 68 CG PHE A 234 -0.712 1.954 -14.806 1.00 0.00 C ATOM 69 CD1 PHE A 234 -1.200 1.368 -15.964 1.00 0.00 C ATOM 70 CD2 PHE A 234 -1.426 1.803 -13.630 1.00 0.00 C ATOM 71 CE1 PHE A 234 -2.376 0.646 -15.946 1.00 0.00 C ATOM 72 CE2 PHE A 234 -2.603 1.082 -13.607 1.00 0.00 C ATOM 73 CZ PHE A 234 -3.078 0.503 -14.767 1.00 0.00 C ATOM 0 H PHE A 234 0.683 0.313 -15.368 1.00 0.00 H new ATOM 0 HA PHE A 234 2.634 2.303 -15.186 1.00 0.00 H new ATOM 0 HB2 PHE A 234 0.517 3.521 -14.073 1.00 0.00 H new ATOM 0 HB3 PHE A 234 0.660 3.236 -15.796 1.00 0.00 H new ATOM 0 HD1 PHE A 234 -0.654 1.478 -16.889 1.00 0.00 H new ATOM 0 HD2 PHE A 234 -1.058 2.254 -12.720 1.00 0.00 H new ATOM 0 HE1 PHE A 234 -2.746 0.193 -16.854 1.00 0.00 H new ATOM 0 HE2 PHE A 234 -3.151 0.971 -12.683 1.00 0.00 H new ATOM 0 HZ PHE A 234 -3.999 -0.062 -14.751 1.00 0.00 H new ATOM 83 N LEU A 235 1.354 1.419 -12.253 1.00 0.00 N ATOM 84 CA LEU A 235 1.620 1.408 -10.819 1.00 0.00 C ATOM 85 C LEU A 235 3.095 1.116 -10.551 1.00 0.00 C ATOM 86 O LEU A 235 3.746 1.813 -9.773 1.00 0.00 O ATOM 87 CB LEU A 235 0.752 0.355 -10.124 1.00 0.00 C ATOM 88 CG LEU A 235 -0.674 0.794 -9.778 1.00 0.00 C ATOM 89 CD1 LEU A 235 -1.582 0.657 -10.989 1.00 0.00 C ATOM 90 CD2 LEU A 235 -1.208 -0.027 -8.616 1.00 0.00 C ATOM 0 H LEU A 235 0.469 0.990 -12.522 1.00 0.00 H new ATOM 0 HA LEU A 235 1.375 2.392 -10.419 1.00 0.00 H new ATOM 0 HB2 LEU A 235 0.696 -0.524 -10.766 1.00 0.00 H new ATOM 0 HB3 LEU A 235 1.251 0.048 -9.205 1.00 0.00 H new ATOM 0 HG LEU A 235 -0.654 1.843 -9.483 1.00 0.00 H new ATOM 0 HD11 LEU A 235 -2.591 0.973 -10.725 1.00 0.00 H new ATOM 0 HD12 LEU A 235 -1.206 1.283 -11.798 1.00 0.00 H new ATOM 0 HD13 LEU A 235 -1.601 -0.383 -11.314 1.00 0.00 H new ATOM 0 HD21 LEU A 235 -2.222 0.294 -8.379 1.00 0.00 H new ATOM 0 HD22 LEU A 235 -1.216 -1.082 -8.889 1.00 0.00 H new ATOM 0 HD23 LEU A 235 -0.569 0.117 -7.745 1.00 0.00 H new ATOM 102 N ARG A 236 3.612 0.078 -11.203 1.00 0.00 N ATOM 103 CA ARG A 236 5.009 -0.316 -11.044 1.00 0.00 C ATOM 104 C ARG A 236 5.939 0.722 -11.665 1.00 0.00 C ATOM 105 O ARG A 236 7.036 0.968 -11.162 1.00 0.00 O ATOM 106 CB ARG A 236 5.252 -1.683 -11.691 1.00 0.00 C ATOM 107 CG ARG A 236 5.602 -2.781 -10.697 1.00 0.00 C ATOM 108 CD ARG A 236 6.038 -4.057 -11.405 1.00 0.00 C ATOM 109 NE ARG A 236 7.472 -4.067 -11.681 1.00 0.00 N ATOM 110 CZ ARG A 236 8.014 -3.578 -12.794 1.00 0.00 C ATOM 111 NH1 ARG A 236 7.244 -3.041 -13.732 1.00 0.00 N ATOM 112 NH2 ARG A 236 9.327 -3.625 -12.970 1.00 0.00 N ATOM 0 H ARG A 236 3.082 -0.507 -11.849 1.00 0.00 H new ATOM 0 HA ARG A 236 5.223 -0.382 -9.977 1.00 0.00 H new ATOM 0 HB2 ARG A 236 4.359 -1.977 -12.243 1.00 0.00 H new ATOM 0 HB3 ARG A 236 6.060 -1.592 -12.417 1.00 0.00 H new ATOM 0 HG2 ARG A 236 6.401 -2.437 -10.040 1.00 0.00 H new ATOM 0 HG3 ARG A 236 4.738 -2.991 -10.066 1.00 0.00 H new ATOM 0 HD2 ARG A 236 5.781 -4.919 -10.789 1.00 0.00 H new ATOM 0 HD3 ARG A 236 5.488 -4.158 -12.341 1.00 0.00 H new ATOM 0 HE ARG A 236 8.094 -4.472 -10.981 1.00 0.00 H new ATOM 0 HH11 ARG A 236 6.233 -3.002 -13.601 1.00 0.00 H new ATOM 0 HH12 ARG A 236 7.663 -2.667 -14.584 1.00 0.00 H new ATOM 0 HH21 ARG A 236 9.923 -4.036 -12.252 1.00 0.00 H new ATOM 0 HH22 ARG A 236 9.741 -3.250 -13.823 1.00 0.00 H new ATOM 126 N ASP A 237 5.495 1.321 -12.765 1.00 0.00 N ATOM 127 CA ASP A 237 6.288 2.327 -13.463 1.00 0.00 C ATOM 128 C ASP A 237 6.229 3.670 -12.744 1.00 0.00 C ATOM 129 O ASP A 237 7.257 4.301 -12.497 1.00 0.00 O ATOM 130 CB ASP A 237 5.796 2.486 -14.903 1.00 0.00 C ATOM 131 CG ASP A 237 6.296 1.378 -15.810 1.00 0.00 C ATOM 132 OD1 ASP A 237 5.871 0.220 -15.621 1.00 0.00 O ATOM 133 OD2 ASP A 237 7.111 1.671 -16.709 1.00 0.00 O ATOM 0 H ASP A 237 4.590 1.127 -13.193 1.00 0.00 H new ATOM 0 HA ASP A 237 7.324 1.989 -13.473 1.00 0.00 H new ATOM 0 HB2 ASP A 237 4.706 2.496 -14.913 1.00 0.00 H new ATOM 0 HB3 ASP A 237 6.127 3.448 -15.293 1.00 0.00 H new ATOM 138 N GLN A 238 5.018 4.103 -12.417 1.00 0.00 N ATOM 139 CA GLN A 238 4.820 5.375 -11.730 1.00 0.00 C ATOM 140 C GLN A 238 5.155 5.252 -10.248 1.00 0.00 C ATOM 141 O GLN A 238 5.434 4.161 -9.750 1.00 0.00 O ATOM 142 CB GLN A 238 3.377 5.857 -11.901 1.00 0.00 C ATOM 143 CG GLN A 238 2.656 5.220 -13.078 1.00 0.00 C ATOM 144 CD GLN A 238 1.544 6.096 -13.622 1.00 0.00 C ATOM 145 OE1 GLN A 238 0.413 5.644 -13.801 1.00 0.00 O ATOM 146 NE2 GLN A 238 1.862 7.357 -13.888 1.00 0.00 N ATOM 0 H GLN A 238 4.157 3.593 -12.616 1.00 0.00 H new ATOM 0 HA GLN A 238 5.493 6.106 -12.177 1.00 0.00 H new ATOM 0 HB2 GLN A 238 2.821 5.644 -10.988 1.00 0.00 H new ATOM 0 HB3 GLN A 238 3.377 6.939 -12.029 1.00 0.00 H new ATOM 0 HG2 GLN A 238 3.374 5.015 -13.872 1.00 0.00 H new ATOM 0 HG3 GLN A 238 2.240 4.261 -12.769 1.00 0.00 H new ATOM 0 HE21 GLN A 238 2.813 7.689 -13.724 1.00 0.00 H new ATOM 0 HE22 GLN A 238 1.156 7.994 -14.256 1.00 0.00 H new ATOM 155 N PRO A 239 5.135 6.381 -9.522 1.00 0.00 N ATOM 156 CA PRO A 239 5.438 6.411 -8.092 1.00 0.00 C ATOM 157 C PRO A 239 4.249 5.987 -7.233 1.00 0.00 C ATOM 158 O PRO A 239 4.246 6.195 -6.020 1.00 0.00 O ATOM 159 CB PRO A 239 5.777 7.879 -7.850 1.00 0.00 C ATOM 160 CG PRO A 239 4.952 8.622 -8.844 1.00 0.00 C ATOM 161 CD PRO A 239 4.817 7.722 -10.048 1.00 0.00 C ATOM 0 HA PRO A 239 6.235 5.718 -7.824 1.00 0.00 H new ATOM 0 HB2 PRO A 239 5.535 8.179 -6.830 1.00 0.00 H new ATOM 0 HB3 PRO A 239 6.840 8.070 -7.995 1.00 0.00 H new ATOM 0 HG2 PRO A 239 3.973 8.866 -8.431 1.00 0.00 H new ATOM 0 HG3 PRO A 239 5.427 9.564 -9.116 1.00 0.00 H new ATOM 0 HD2 PRO A 239 3.811 7.760 -10.465 1.00 0.00 H new ATOM 0 HD3 PRO A 239 5.503 8.013 -10.844 1.00 0.00 H new ATOM 169 N GLN A 240 3.243 5.394 -7.867 1.00 0.00 N ATOM 170 CA GLN A 240 2.052 4.945 -7.156 1.00 0.00 C ATOM 171 C GLN A 240 2.429 4.276 -5.840 1.00 0.00 C ATOM 172 O GLN A 240 1.876 4.597 -4.788 1.00 0.00 O ATOM 173 CB GLN A 240 1.249 3.975 -8.025 1.00 0.00 C ATOM 174 CG GLN A 240 0.188 4.656 -8.875 1.00 0.00 C ATOM 175 CD GLN A 240 0.747 5.800 -9.699 1.00 0.00 C ATOM 176 OE1 GLN A 240 1.588 6.566 -9.230 1.00 0.00 O ATOM 177 NE2 GLN A 240 0.278 5.920 -10.936 1.00 0.00 N ATOM 0 H GLN A 240 3.229 5.213 -8.871 1.00 0.00 H new ATOM 0 HA GLN A 240 1.437 5.818 -6.937 1.00 0.00 H new ATOM 0 HB2 GLN A 240 1.933 3.433 -8.678 1.00 0.00 H new ATOM 0 HB3 GLN A 240 0.769 3.236 -7.383 1.00 0.00 H new ATOM 0 HG2 GLN A 240 -0.266 3.922 -9.540 1.00 0.00 H new ATOM 0 HG3 GLN A 240 -0.604 5.032 -8.228 1.00 0.00 H new ATOM 0 HE21 GLN A 240 -0.419 5.261 -11.283 1.00 0.00 H new ATOM 0 HE22 GLN A 240 0.615 6.671 -11.539 1.00 0.00 H new ATOM 186 N PHE A 241 3.376 3.345 -5.904 1.00 0.00 N ATOM 187 CA PHE A 241 3.829 2.635 -4.713 1.00 0.00 C ATOM 188 C PHE A 241 4.578 3.577 -3.777 1.00 0.00 C ATOM 189 O PHE A 241 4.292 3.637 -2.582 1.00 0.00 O ATOM 190 CB PHE A 241 4.726 1.462 -5.101 1.00 0.00 C ATOM 191 CG PHE A 241 5.776 1.833 -6.101 1.00 0.00 C ATOM 192 CD1 PHE A 241 7.011 2.299 -5.684 1.00 0.00 C ATOM 193 CD2 PHE A 241 5.524 1.727 -7.458 1.00 0.00 C ATOM 194 CE1 PHE A 241 7.979 2.649 -6.604 1.00 0.00 C ATOM 195 CE2 PHE A 241 6.486 2.078 -8.382 1.00 0.00 C ATOM 196 CZ PHE A 241 7.714 2.539 -7.954 1.00 0.00 C ATOM 0 H PHE A 241 3.844 3.065 -6.766 1.00 0.00 H new ATOM 0 HA PHE A 241 2.952 2.251 -4.192 1.00 0.00 H new ATOM 0 HB2 PHE A 241 5.208 1.069 -4.206 1.00 0.00 H new ATOM 0 HB3 PHE A 241 4.110 0.661 -5.510 1.00 0.00 H new ATOM 0 HD1 PHE A 241 7.219 2.390 -4.628 1.00 0.00 H new ATOM 0 HD2 PHE A 241 4.564 1.366 -7.797 1.00 0.00 H new ATOM 0 HE1 PHE A 241 8.941 3.008 -6.268 1.00 0.00 H new ATOM 0 HE2 PHE A 241 6.278 1.992 -9.438 1.00 0.00 H new ATOM 0 HZ PHE A 241 8.469 2.814 -8.676 1.00 0.00 H new ATOM 206 N GLN A 242 5.535 4.314 -4.332 1.00 0.00 N ATOM 207 CA GLN A 242 6.323 5.258 -3.550 1.00 0.00 C ATOM 208 C GLN A 242 5.425 6.317 -2.920 1.00 0.00 C ATOM 209 O GLN A 242 5.411 6.490 -1.701 1.00 0.00 O ATOM 210 CB GLN A 242 7.377 5.930 -4.436 1.00 0.00 C ATOM 211 CG GLN A 242 8.786 5.407 -4.210 1.00 0.00 C ATOM 212 CD GLN A 242 9.794 6.520 -4.007 1.00 0.00 C ATOM 213 OE1 GLN A 242 9.452 7.702 -4.060 1.00 0.00 O ATOM 214 NE2 GLN A 242 11.048 6.148 -3.775 1.00 0.00 N ATOM 0 H GLN A 242 5.783 4.275 -5.321 1.00 0.00 H new ATOM 0 HA GLN A 242 6.824 4.707 -2.754 1.00 0.00 H new ATOM 0 HB2 GLN A 242 7.107 5.783 -5.482 1.00 0.00 H new ATOM 0 HB3 GLN A 242 7.363 7.004 -4.251 1.00 0.00 H new ATOM 0 HG2 GLN A 242 8.792 4.753 -3.338 1.00 0.00 H new ATOM 0 HG3 GLN A 242 9.086 4.801 -5.065 1.00 0.00 H new ATOM 0 HE21 GLN A 242 11.288 5.157 -3.739 1.00 0.00 H new ATOM 0 HE22 GLN A 242 11.771 6.853 -3.632 1.00 0.00 H new ATOM 223 N ASN A 243 4.675 7.024 -3.760 1.00 0.00 N ATOM 224 CA ASN A 243 3.771 8.067 -3.288 1.00 0.00 C ATOM 225 C ASN A 243 2.851 7.534 -2.194 1.00 0.00 C ATOM 226 O ASN A 243 2.857 8.031 -1.068 1.00 0.00 O ATOM 227 CB ASN A 243 2.939 8.612 -4.449 1.00 0.00 C ATOM 228 CG ASN A 243 3.597 9.801 -5.124 1.00 0.00 C ATOM 229 OD1 ASN A 243 3.813 9.801 -6.336 1.00 0.00 O ATOM 230 ND2 ASN A 243 3.919 10.823 -4.339 1.00 0.00 N ATOM 0 H ASN A 243 4.676 6.893 -4.772 1.00 0.00 H new ATOM 0 HA ASN A 243 4.373 8.874 -2.871 1.00 0.00 H new ATOM 0 HB2 ASN A 243 2.783 7.821 -5.183 1.00 0.00 H new ATOM 0 HB3 ASN A 243 1.955 8.905 -4.082 1.00 0.00 H new ATOM 0 HD21 ASN A 243 4.364 11.651 -4.736 1.00 0.00 H new ATOM 0 HD22 ASN A 243 3.721 10.780 -3.339 1.00 0.00 H new ATOM 237 N MET A 244 2.061 6.520 -2.533 1.00 0.00 N ATOM 238 CA MET A 244 1.137 5.922 -1.576 1.00 0.00 C ATOM 239 C MET A 244 1.863 5.533 -0.296 1.00 0.00 C ATOM 240 O MET A 244 1.630 6.114 0.763 1.00 0.00 O ATOM 241 CB MET A 244 0.470 4.684 -2.182 1.00 0.00 C ATOM 242 CG MET A 244 -0.636 5.010 -3.170 1.00 0.00 C ATOM 243 SD MET A 244 -0.898 3.694 -4.376 1.00 0.00 S ATOM 244 CE MET A 244 -0.958 4.637 -5.897 1.00 0.00 C ATOM 0 H MET A 244 2.042 6.096 -3.461 1.00 0.00 H new ATOM 0 HA MET A 244 0.373 6.662 -1.337 1.00 0.00 H new ATOM 0 HB2 MET A 244 1.228 4.082 -2.684 1.00 0.00 H new ATOM 0 HB3 MET A 244 0.059 4.073 -1.378 1.00 0.00 H new ATOM 0 HG2 MET A 244 -1.563 5.189 -2.626 1.00 0.00 H new ATOM 0 HG3 MET A 244 -0.390 5.934 -3.693 1.00 0.00 H new ATOM 0 HE1 MET A 244 -0.901 3.959 -6.748 1.00 0.00 H new ATOM 0 HE2 MET A 244 -1.892 5.197 -5.941 1.00 0.00 H new ATOM 0 HE3 MET A 244 -0.117 5.330 -5.929 1.00 0.00 H new ATOM 254 N ARG A 245 2.740 4.542 -0.406 1.00 0.00 N ATOM 255 CA ARG A 245 3.505 4.059 0.736 1.00 0.00 C ATOM 256 C ARG A 245 4.020 5.209 1.593 1.00 0.00 C ATOM 257 O ARG A 245 4.206 5.051 2.795 1.00 0.00 O ATOM 258 CB ARG A 245 4.679 3.202 0.259 1.00 0.00 C ATOM 259 CG ARG A 245 5.867 4.015 -0.226 1.00 0.00 C ATOM 260 CD ARG A 245 7.103 3.147 -0.397 1.00 0.00 C ATOM 261 NE ARG A 245 8.200 3.872 -1.033 1.00 0.00 N ATOM 262 CZ ARG A 245 8.853 4.877 -0.456 1.00 0.00 C ATOM 263 NH1 ARG A 245 8.523 5.271 0.767 1.00 0.00 N ATOM 264 NH2 ARG A 245 9.839 5.486 -1.100 1.00 0.00 N ATOM 0 H ARG A 245 2.939 4.055 -1.280 1.00 0.00 H new ATOM 0 HA ARG A 245 2.837 3.454 1.349 1.00 0.00 H new ATOM 0 HB2 ARG A 245 5.001 2.555 1.075 1.00 0.00 H new ATOM 0 HB3 ARG A 245 4.340 2.553 -0.548 1.00 0.00 H new ATOM 0 HG2 ARG A 245 5.621 4.490 -1.175 1.00 0.00 H new ATOM 0 HG3 ARG A 245 6.077 4.814 0.485 1.00 0.00 H new ATOM 0 HD2 ARG A 245 7.427 2.782 0.578 1.00 0.00 H new ATOM 0 HD3 ARG A 245 6.851 2.272 -0.997 1.00 0.00 H new ATOM 0 HE ARG A 245 8.481 3.592 -1.973 1.00 0.00 H new ATOM 0 HH11 ARG A 245 7.767 4.803 1.267 1.00 0.00 H new ATOM 0 HH12 ARG A 245 9.025 6.042 1.207 1.00 0.00 H new ATOM 0 HH21 ARG A 245 10.098 5.184 -2.039 1.00 0.00 H new ATOM 0 HH22 ARG A 245 10.339 6.257 -0.656 1.00 0.00 H new ATOM 278 N GLN A 246 4.259 6.359 0.973 1.00 0.00 N ATOM 279 CA GLN A 246 4.766 7.521 1.700 1.00 0.00 C ATOM 280 C GLN A 246 3.697 8.124 2.607 1.00 0.00 C ATOM 281 O GLN A 246 3.811 8.073 3.834 1.00 0.00 O ATOM 282 CB GLN A 246 5.273 8.580 0.720 1.00 0.00 C ATOM 283 CG GLN A 246 6.502 8.147 -0.062 1.00 0.00 C ATOM 284 CD GLN A 246 7.746 8.919 0.330 1.00 0.00 C ATOM 285 OE1 GLN A 246 7.695 9.811 1.177 1.00 0.00 O ATOM 286 NE2 GLN A 246 8.874 8.579 -0.285 1.00 0.00 N ATOM 0 H GLN A 246 4.112 6.513 -0.024 1.00 0.00 H new ATOM 0 HA GLN A 246 5.591 7.184 2.327 1.00 0.00 H new ATOM 0 HB2 GLN A 246 4.475 8.826 0.019 1.00 0.00 H new ATOM 0 HB3 GLN A 246 5.506 9.491 1.271 1.00 0.00 H new ATOM 0 HG2 GLN A 246 6.674 7.083 0.099 1.00 0.00 H new ATOM 0 HG3 GLN A 246 6.316 8.282 -1.127 1.00 0.00 H new ATOM 0 HE21 GLN A 246 8.871 7.833 -0.981 1.00 0.00 H new ATOM 0 HE22 GLN A 246 9.743 9.064 -0.061 1.00 0.00 H new ATOM 295 N VAL A 247 2.662 8.697 2.001 1.00 0.00 N ATOM 296 CA VAL A 247 1.579 9.311 2.760 1.00 0.00 C ATOM 297 C VAL A 247 1.085 8.378 3.858 1.00 0.00 C ATOM 298 O VAL A 247 0.875 8.796 4.998 1.00 0.00 O ATOM 299 CB VAL A 247 0.395 9.686 1.848 1.00 0.00 C ATOM 300 CG1 VAL A 247 0.792 10.789 0.880 1.00 0.00 C ATOM 301 CG2 VAL A 247 -0.107 8.462 1.098 1.00 0.00 C ATOM 0 H VAL A 247 2.551 8.749 0.988 1.00 0.00 H new ATOM 0 HA VAL A 247 1.981 10.219 3.210 1.00 0.00 H new ATOM 0 HB VAL A 247 -0.416 10.060 2.472 1.00 0.00 H new ATOM 0 HG11 VAL A 247 -0.058 11.039 0.245 1.00 0.00 H new ATOM 0 HG12 VAL A 247 1.099 11.672 1.441 1.00 0.00 H new ATOM 0 HG13 VAL A 247 1.620 10.448 0.259 1.00 0.00 H new ATOM 0 HG21 VAL A 247 -0.943 8.745 0.459 1.00 0.00 H new ATOM 0 HG22 VAL A 247 0.697 8.056 0.485 1.00 0.00 H new ATOM 0 HG23 VAL A 247 -0.436 7.707 1.812 1.00 0.00 H new ATOM 311 N ILE A 248 0.901 7.112 3.505 1.00 0.00 N ATOM 312 CA ILE A 248 0.431 6.111 4.449 1.00 0.00 C ATOM 313 C ILE A 248 1.545 5.685 5.402 1.00 0.00 C ATOM 314 O ILE A 248 1.280 5.268 6.529 1.00 0.00 O ATOM 315 CB ILE A 248 -0.135 4.879 3.716 1.00 0.00 C ATOM 316 CG1 ILE A 248 0.904 4.311 2.735 1.00 0.00 C ATOM 317 CG2 ILE A 248 -1.428 5.256 2.999 1.00 0.00 C ATOM 318 CD1 ILE A 248 0.331 3.894 1.391 1.00 0.00 C ATOM 0 H ILE A 248 1.072 6.754 2.565 1.00 0.00 H new ATOM 0 HA ILE A 248 -0.369 6.566 5.033 1.00 0.00 H new ATOM 0 HB ILE A 248 -0.360 4.100 4.444 1.00 0.00 H new ATOM 0 HG12 ILE A 248 1.679 5.060 2.570 1.00 0.00 H new ATOM 0 HG13 ILE A 248 1.387 3.449 3.194 1.00 0.00 H new ATOM 0 HG21 ILE A 248 -1.825 4.383 2.482 1.00 0.00 H new ATOM 0 HG22 ILE A 248 -2.158 5.610 3.727 1.00 0.00 H new ATOM 0 HG23 ILE A 248 -1.226 6.045 2.275 1.00 0.00 H new ATOM 0 HD11 ILE A 248 1.130 3.505 0.760 1.00 0.00 H new ATOM 0 HD12 ILE A 248 -0.422 3.121 1.541 1.00 0.00 H new ATOM 0 HD13 ILE A 248 -0.126 4.757 0.907 1.00 0.00 H new ATOM 330 N GLN A 249 2.794 5.805 4.952 1.00 0.00 N ATOM 331 CA GLN A 249 3.938 5.442 5.785 1.00 0.00 C ATOM 332 C GLN A 249 3.935 6.268 7.063 1.00 0.00 C ATOM 333 O GLN A 249 3.739 5.740 8.157 1.00 0.00 O ATOM 334 CB GLN A 249 5.254 5.655 5.026 1.00 0.00 C ATOM 335 CG GLN A 249 6.452 5.918 5.927 1.00 0.00 C ATOM 336 CD GLN A 249 6.800 4.728 6.797 1.00 0.00 C ATOM 337 OE1 GLN A 249 6.848 3.546 6.193 1.00 0.00 O flip ATOM 338 NE2 GLN A 249 7.024 4.869 7.999 1.00 0.00 N flip ATOM 0 H GLN A 249 3.037 6.148 4.023 1.00 0.00 H new ATOM 0 HA GLN A 249 3.855 4.386 6.041 1.00 0.00 H new ATOM 0 HB2 GLN A 249 5.457 4.774 4.417 1.00 0.00 H new ATOM 0 HB3 GLN A 249 5.135 6.495 4.342 1.00 0.00 H new ATOM 0 HG2 GLN A 249 7.314 6.178 5.312 1.00 0.00 H new ATOM 0 HG3 GLN A 249 6.242 6.779 6.562 1.00 0.00 H new ATOM 0 HE21 GLN A 249 6.976 5.796 8.421 1.00 0.00 H new ATOM 0 HE22 GLN A 249 7.258 4.059 8.573 1.00 0.00 H new ATOM 347 N GLN A 250 4.139 7.571 6.913 1.00 0.00 N ATOM 348 CA GLN A 250 4.143 8.471 8.054 1.00 0.00 C ATOM 349 C GLN A 250 2.718 8.690 8.538 1.00 0.00 C ATOM 350 O GLN A 250 2.425 8.555 9.727 1.00 0.00 O ATOM 351 CB GLN A 250 4.784 9.809 7.679 1.00 0.00 C ATOM 352 CG GLN A 250 6.250 9.694 7.297 1.00 0.00 C ATOM 353 CD GLN A 250 6.920 11.045 7.137 1.00 0.00 C ATOM 354 OE1 GLN A 250 6.511 11.859 6.309 1.00 0.00 O ATOM 355 NE2 GLN A 250 7.954 11.292 7.933 1.00 0.00 N ATOM 0 H GLN A 250 4.303 8.025 6.014 1.00 0.00 H new ATOM 0 HA GLN A 250 4.729 8.022 8.856 1.00 0.00 H new ATOM 0 HB2 GLN A 250 4.233 10.246 6.846 1.00 0.00 H new ATOM 0 HB3 GLN A 250 4.689 10.496 8.520 1.00 0.00 H new ATOM 0 HG2 GLN A 250 6.776 9.120 8.060 1.00 0.00 H new ATOM 0 HG3 GLN A 250 6.336 9.138 6.364 1.00 0.00 H new ATOM 0 HE21 GLN A 250 8.260 10.588 8.605 1.00 0.00 H new ATOM 0 HE22 GLN A 250 8.443 12.185 7.872 1.00 0.00 H new ATOM 364 N ASN A 251 1.834 9.016 7.601 1.00 0.00 N ATOM 365 CA ASN A 251 0.430 9.234 7.906 1.00 0.00 C ATOM 366 C ASN A 251 -0.407 8.003 7.563 1.00 0.00 C ATOM 367 O ASN A 251 -1.206 8.043 6.628 1.00 0.00 O ATOM 368 CB ASN A 251 -0.096 10.450 7.142 1.00 0.00 C ATOM 369 CG ASN A 251 -0.167 11.691 8.011 1.00 0.00 C ATOM 370 OD1 ASN A 251 0.402 11.733 9.101 1.00 0.00 O ATOM 371 ND2 ASN A 251 -0.872 12.710 7.531 1.00 0.00 N ATOM 0 H ASN A 251 2.071 9.135 6.616 1.00 0.00 H new ATOM 0 HA ASN A 251 0.345 9.418 8.977 1.00 0.00 H new ATOM 0 HB2 ASN A 251 0.550 10.645 6.286 1.00 0.00 H new ATOM 0 HB3 ASN A 251 -1.088 10.228 6.749 1.00 0.00 H new ATOM 0 HD21 ASN A 251 -0.958 13.571 8.072 1.00 0.00 H new ATOM 0 HD22 ASN A 251 -1.328 12.632 6.622 1.00 0.00 H new ATOM 378 N PRO A 252 -0.256 6.889 8.303 1.00 0.00 N ATOM 379 CA PRO A 252 -1.025 5.664 8.046 1.00 0.00 C ATOM 380 C PRO A 252 -2.473 5.771 8.522 1.00 0.00 C ATOM 381 O PRO A 252 -3.058 4.788 8.978 1.00 0.00 O ATOM 382 CB PRO A 252 -0.280 4.614 8.868 1.00 0.00 C ATOM 383 CG PRO A 252 0.286 5.385 10.009 1.00 0.00 C ATOM 384 CD PRO A 252 0.667 6.726 9.443 1.00 0.00 C ATOM 0 HA PRO A 252 -1.091 5.439 6.982 1.00 0.00 H new ATOM 0 HB2 PRO A 252 -0.951 3.827 9.212 1.00 0.00 H new ATOM 0 HB3 PRO A 252 0.504 4.132 8.284 1.00 0.00 H new ATOM 0 HG2 PRO A 252 -0.445 5.491 10.811 1.00 0.00 H new ATOM 0 HG3 PRO A 252 1.153 4.878 10.433 1.00 0.00 H new ATOM 0 HD2 PRO A 252 0.544 7.522 10.177 1.00 0.00 H new ATOM 0 HD3 PRO A 252 1.709 6.746 9.123 1.00 0.00 H new ATOM 392 N ALA A 253 -3.045 6.967 8.419 1.00 0.00 N ATOM 393 CA ALA A 253 -4.419 7.196 8.843 1.00 0.00 C ATOM 394 C ALA A 253 -5.404 6.815 7.746 1.00 0.00 C ATOM 395 O ALA A 253 -6.396 6.130 7.997 1.00 0.00 O ATOM 396 CB ALA A 253 -4.625 8.647 9.253 1.00 0.00 C ATOM 0 H ALA A 253 -2.576 7.792 8.045 1.00 0.00 H new ATOM 0 HA ALA A 253 -4.607 6.560 9.708 1.00 0.00 H new ATOM 0 HB1 ALA A 253 -5.659 8.793 9.566 1.00 0.00 H new ATOM 0 HB2 ALA A 253 -3.958 8.890 10.080 1.00 0.00 H new ATOM 0 HB3 ALA A 253 -4.406 9.299 8.407 1.00 0.00 H new ATOM 402 N LEU A 254 -5.122 7.264 6.529 1.00 0.00 N ATOM 403 CA LEU A 254 -5.983 6.972 5.390 1.00 0.00 C ATOM 404 C LEU A 254 -5.589 5.655 4.736 1.00 0.00 C ATOM 405 O LEU A 254 -6.228 5.207 3.785 1.00 0.00 O ATOM 406 CB LEU A 254 -5.912 8.105 4.364 1.00 0.00 C ATOM 407 CG LEU A 254 -5.373 9.432 4.900 1.00 0.00 C ATOM 408 CD1 LEU A 254 -5.340 10.478 3.797 1.00 0.00 C ATOM 409 CD2 LEU A 254 -6.217 9.915 6.071 1.00 0.00 C ATOM 0 H LEU A 254 -4.304 7.831 6.306 1.00 0.00 H new ATOM 0 HA LEU A 254 -7.007 6.886 5.754 1.00 0.00 H new ATOM 0 HB2 LEU A 254 -5.283 7.784 3.534 1.00 0.00 H new ATOM 0 HB3 LEU A 254 -6.911 8.272 3.961 1.00 0.00 H new ATOM 0 HG LEU A 254 -4.354 9.274 5.253 1.00 0.00 H new ATOM 0 HD11 LEU A 254 -4.954 11.416 4.196 1.00 0.00 H new ATOM 0 HD12 LEU A 254 -4.694 10.134 2.989 1.00 0.00 H new ATOM 0 HD13 LEU A 254 -6.348 10.635 3.414 1.00 0.00 H new ATOM 0 HD21 LEU A 254 -5.820 10.860 6.440 1.00 0.00 H new ATOM 0 HD22 LEU A 254 -7.247 10.058 5.743 1.00 0.00 H new ATOM 0 HD23 LEU A 254 -6.190 9.173 6.869 1.00 0.00 H new ATOM 421 N LEU A 255 -4.521 5.047 5.241 1.00 0.00 N ATOM 422 CA LEU A 255 -4.033 3.794 4.693 1.00 0.00 C ATOM 423 C LEU A 255 -3.870 3.914 3.187 1.00 0.00 C ATOM 424 O LEU A 255 -4.247 4.923 2.588 1.00 0.00 O ATOM 425 CB LEU A 255 -4.979 2.639 5.041 1.00 0.00 C ATOM 426 CG LEU A 255 -6.076 2.342 4.011 1.00 0.00 C ATOM 427 CD1 LEU A 255 -5.926 0.933 3.457 1.00 0.00 C ATOM 428 CD2 LEU A 255 -7.446 2.520 4.640 1.00 0.00 C ATOM 0 H LEU A 255 -3.979 5.404 6.028 1.00 0.00 H new ATOM 0 HA LEU A 255 -3.061 3.578 5.137 1.00 0.00 H new ATOM 0 HB2 LEU A 255 -4.384 1.736 5.181 1.00 0.00 H new ATOM 0 HB3 LEU A 255 -5.454 2.859 5.997 1.00 0.00 H new ATOM 0 HG LEU A 255 -5.974 3.046 3.185 1.00 0.00 H new ATOM 0 HD11 LEU A 255 -6.714 0.743 2.728 1.00 0.00 H new ATOM 0 HD12 LEU A 255 -4.954 0.833 2.974 1.00 0.00 H new ATOM 0 HD13 LEU A 255 -6.003 0.212 4.271 1.00 0.00 H new ATOM 0 HD21 LEU A 255 -8.217 2.307 3.900 1.00 0.00 H new ATOM 0 HD22 LEU A 255 -7.552 1.835 5.482 1.00 0.00 H new ATOM 0 HD23 LEU A 255 -7.555 3.546 4.991 1.00 0.00 H new ATOM 440 N PRO A 256 -3.300 2.889 2.556 1.00 0.00 N ATOM 441 CA PRO A 256 -3.075 2.873 1.114 1.00 0.00 C ATOM 442 C PRO A 256 -4.375 2.694 0.338 1.00 0.00 C ATOM 443 O PRO A 256 -4.486 1.812 -0.514 1.00 0.00 O ATOM 444 CB PRO A 256 -2.139 1.671 0.901 1.00 0.00 C ATOM 445 CG PRO A 256 -1.736 1.217 2.271 1.00 0.00 C ATOM 446 CD PRO A 256 -2.824 1.669 3.200 1.00 0.00 C ATOM 0 HA PRO A 256 -2.654 3.812 0.754 1.00 0.00 H new ATOM 0 HB2 PRO A 256 -2.645 0.873 0.358 1.00 0.00 H new ATOM 0 HB3 PRO A 256 -1.267 1.954 0.311 1.00 0.00 H new ATOM 0 HG2 PRO A 256 -1.622 0.134 2.304 1.00 0.00 H new ATOM 0 HG3 PRO A 256 -0.776 1.648 2.557 1.00 0.00 H new ATOM 0 HD2 PRO A 256 -3.614 0.924 3.293 1.00 0.00 H new ATOM 0 HD3 PRO A 256 -2.447 1.861 4.205 1.00 0.00 H new ATOM 454 N ALA A 257 -5.358 3.541 0.639 1.00 0.00 N ATOM 455 CA ALA A 257 -6.649 3.482 -0.028 1.00 0.00 C ATOM 456 C ALA A 257 -6.466 3.419 -1.536 1.00 0.00 C ATOM 457 O ALA A 257 -7.281 2.835 -2.251 1.00 0.00 O ATOM 458 CB ALA A 257 -7.513 4.676 0.349 1.00 0.00 C ATOM 0 H ALA A 257 -5.281 4.276 1.342 1.00 0.00 H new ATOM 0 HA ALA A 257 -7.158 2.576 0.302 1.00 0.00 H new ATOM 0 HB1 ALA A 257 -8.473 4.607 -0.164 1.00 0.00 H new ATOM 0 HB2 ALA A 257 -7.677 4.681 1.427 1.00 0.00 H new ATOM 0 HB3 ALA A 257 -7.010 5.597 0.054 1.00 0.00 H new ATOM 464 N LEU A 258 -5.380 4.017 -2.015 1.00 0.00 N ATOM 465 CA LEU A 258 -5.086 4.018 -3.439 1.00 0.00 C ATOM 466 C LEU A 258 -5.237 2.610 -3.997 1.00 0.00 C ATOM 467 O LEU A 258 -5.652 2.418 -5.142 1.00 0.00 O ATOM 468 CB LEU A 258 -3.672 4.542 -3.692 1.00 0.00 C ATOM 469 CG LEU A 258 -3.504 6.055 -3.530 1.00 0.00 C ATOM 470 CD1 LEU A 258 -4.410 6.801 -4.497 1.00 0.00 C ATOM 471 CD2 LEU A 258 -3.794 6.472 -2.095 1.00 0.00 C ATOM 0 H LEU A 258 -4.693 4.504 -1.439 1.00 0.00 H new ATOM 0 HA LEU A 258 -5.791 4.678 -3.945 1.00 0.00 H new ATOM 0 HB2 LEU A 258 -2.987 4.040 -3.008 1.00 0.00 H new ATOM 0 HB3 LEU A 258 -3.373 4.265 -4.703 1.00 0.00 H new ATOM 0 HG LEU A 258 -2.471 6.313 -3.762 1.00 0.00 H new ATOM 0 HD11 LEU A 258 -4.276 7.875 -4.366 1.00 0.00 H new ATOM 0 HD12 LEU A 258 -4.155 6.525 -5.520 1.00 0.00 H new ATOM 0 HD13 LEU A 258 -5.449 6.538 -4.298 1.00 0.00 H new ATOM 0 HD21 LEU A 258 -3.670 7.551 -1.997 1.00 0.00 H new ATOM 0 HD22 LEU A 258 -4.817 6.200 -1.837 1.00 0.00 H new ATOM 0 HD23 LEU A 258 -3.103 5.965 -1.422 1.00 0.00 H new ATOM 483 N LEU A 259 -4.913 1.626 -3.165 1.00 0.00 N ATOM 484 CA LEU A 259 -5.023 0.227 -3.547 1.00 0.00 C ATOM 485 C LEU A 259 -6.489 -0.140 -3.741 1.00 0.00 C ATOM 486 O LEU A 259 -6.837 -0.919 -4.629 1.00 0.00 O ATOM 487 CB LEU A 259 -4.395 -0.661 -2.469 1.00 0.00 C ATOM 488 CG LEU A 259 -4.301 -2.148 -2.812 1.00 0.00 C ATOM 489 CD1 LEU A 259 -3.587 -2.900 -1.699 1.00 0.00 C ATOM 490 CD2 LEU A 259 -5.685 -2.735 -3.048 1.00 0.00 C ATOM 0 H LEU A 259 -4.570 1.775 -2.216 1.00 0.00 H new ATOM 0 HA LEU A 259 -4.491 0.069 -4.485 1.00 0.00 H new ATOM 0 HB2 LEU A 259 -3.392 -0.291 -2.257 1.00 0.00 H new ATOM 0 HB3 LEU A 259 -4.974 -0.554 -1.552 1.00 0.00 H new ATOM 0 HG LEU A 259 -3.725 -2.254 -3.731 1.00 0.00 H new ATOM 0 HD11 LEU A 259 -3.526 -3.958 -1.955 1.00 0.00 H new ATOM 0 HD12 LEU A 259 -2.581 -2.498 -1.576 1.00 0.00 H new ATOM 0 HD13 LEU A 259 -4.141 -2.783 -0.768 1.00 0.00 H new ATOM 0 HD21 LEU A 259 -5.595 -3.794 -3.291 1.00 0.00 H new ATOM 0 HD22 LEU A 259 -6.288 -2.619 -2.147 1.00 0.00 H new ATOM 0 HD23 LEU A 259 -6.165 -2.213 -3.876 1.00 0.00 H new ATOM 502 N GLN A 260 -7.343 0.438 -2.903 1.00 0.00 N ATOM 503 CA GLN A 260 -8.776 0.188 -2.977 1.00 0.00 C ATOM 504 C GLN A 260 -9.331 0.672 -4.310 1.00 0.00 C ATOM 505 O GLN A 260 -10.133 -0.013 -4.947 1.00 0.00 O ATOM 506 CB GLN A 260 -9.500 0.886 -1.823 1.00 0.00 C ATOM 507 CG GLN A 260 -11.010 0.721 -1.863 1.00 0.00 C ATOM 508 CD GLN A 260 -11.531 -0.145 -0.733 1.00 0.00 C ATOM 509 OE1 GLN A 260 -10.781 -0.903 -0.120 1.00 0.00 O ATOM 510 NE2 GLN A 260 -12.825 -0.036 -0.454 1.00 0.00 N ATOM 0 H GLN A 260 -7.066 1.084 -2.164 1.00 0.00 H new ATOM 0 HA GLN A 260 -8.942 -0.886 -2.897 1.00 0.00 H new ATOM 0 HB2 GLN A 260 -9.125 0.492 -0.879 1.00 0.00 H new ATOM 0 HB3 GLN A 260 -9.258 1.949 -1.843 1.00 0.00 H new ATOM 0 HG2 GLN A 260 -11.481 1.703 -1.810 1.00 0.00 H new ATOM 0 HG3 GLN A 260 -11.299 0.280 -2.817 1.00 0.00 H new ATOM 0 HE21 GLN A 260 -13.410 0.606 -0.989 1.00 0.00 H new ATOM 0 HE22 GLN A 260 -13.234 -0.594 0.295 1.00 0.00 H new ATOM 519 N GLN A 261 -8.890 1.852 -4.735 1.00 0.00 N ATOM 520 CA GLN A 261 -9.331 2.420 -6.001 1.00 0.00 C ATOM 521 C GLN A 261 -8.809 1.582 -7.158 1.00 0.00 C ATOM 522 O GLN A 261 -9.449 1.478 -8.204 1.00 0.00 O ATOM 523 CB GLN A 261 -8.847 3.865 -6.137 1.00 0.00 C ATOM 524 CG GLN A 261 -9.878 4.895 -5.702 1.00 0.00 C ATOM 525 CD GLN A 261 -9.244 6.148 -5.131 1.00 0.00 C ATOM 526 OE1 GLN A 261 -8.124 6.512 -5.491 1.00 0.00 O ATOM 527 NE2 GLN A 261 -9.960 6.815 -4.232 1.00 0.00 N ATOM 0 H GLN A 261 -8.228 2.432 -4.220 1.00 0.00 H new ATOM 0 HA GLN A 261 -10.421 2.416 -6.024 1.00 0.00 H new ATOM 0 HB2 GLN A 261 -7.943 3.994 -5.542 1.00 0.00 H new ATOM 0 HB3 GLN A 261 -8.574 4.052 -7.176 1.00 0.00 H new ATOM 0 HG2 GLN A 261 -10.500 5.164 -6.555 1.00 0.00 H new ATOM 0 HG3 GLN A 261 -10.536 4.452 -4.954 1.00 0.00 H new ATOM 0 HE21 GLN A 261 -10.884 6.477 -3.963 1.00 0.00 H new ATOM 0 HE22 GLN A 261 -9.586 7.665 -3.811 1.00 0.00 H new ATOM 536 N LEU A 262 -7.641 0.981 -6.955 1.00 0.00 N ATOM 537 CA LEU A 262 -7.027 0.139 -7.975 1.00 0.00 C ATOM 538 C LEU A 262 -7.790 -1.176 -8.117 1.00 0.00 C ATOM 539 O LEU A 262 -8.201 -1.551 -9.214 1.00 0.00 O ATOM 540 CB LEU A 262 -5.565 -0.139 -7.622 1.00 0.00 C ATOM 541 CG LEU A 262 -4.620 1.049 -7.801 1.00 0.00 C ATOM 542 CD1 LEU A 262 -3.388 0.891 -6.923 1.00 0.00 C ATOM 543 CD2 LEU A 262 -4.219 1.194 -9.262 1.00 0.00 C ATOM 0 H LEU A 262 -7.101 1.062 -6.093 1.00 0.00 H new ATOM 0 HA LEU A 262 -7.067 0.668 -8.927 1.00 0.00 H new ATOM 0 HB2 LEU A 262 -5.514 -0.471 -6.585 1.00 0.00 H new ATOM 0 HB3 LEU A 262 -5.208 -0.964 -8.239 1.00 0.00 H new ATOM 0 HG LEU A 262 -5.144 1.954 -7.495 1.00 0.00 H new ATOM 0 HD11 LEU A 262 -2.728 1.747 -7.065 1.00 0.00 H new ATOM 0 HD12 LEU A 262 -3.691 0.836 -5.877 1.00 0.00 H new ATOM 0 HD13 LEU A 262 -2.861 -0.023 -7.197 1.00 0.00 H new ATOM 0 HD21 LEU A 262 -3.546 2.044 -9.372 1.00 0.00 H new ATOM 0 HD22 LEU A 262 -3.714 0.286 -9.592 1.00 0.00 H new ATOM 0 HD23 LEU A 262 -5.110 1.355 -9.869 1.00 0.00 H new ATOM 555 N GLY A 263 -7.980 -1.868 -6.995 1.00 0.00 N ATOM 556 CA GLY A 263 -8.696 -3.133 -7.010 1.00 0.00 C ATOM 557 C GLY A 263 -10.175 -2.951 -7.276 1.00 0.00 C ATOM 558 O GLY A 263 -10.836 -3.848 -7.801 1.00 0.00 O ATOM 0 H GLY A 263 -7.650 -1.575 -6.075 1.00 0.00 H new ATOM 0 HA2 GLY A 263 -8.268 -3.781 -7.775 1.00 0.00 H new ATOM 0 HA3 GLY A 263 -8.560 -3.637 -6.053 1.00 0.00 H new ATOM 562 N GLN A 264 -10.692 -1.782 -6.920 1.00 0.00 N ATOM 563 CA GLN A 264 -12.100 -1.473 -7.129 1.00 0.00 C ATOM 564 C GLN A 264 -12.322 -1.000 -8.557 1.00 0.00 C ATOM 565 O GLN A 264 -13.297 -1.374 -9.207 1.00 0.00 O ATOM 566 CB GLN A 264 -12.565 -0.400 -6.143 1.00 0.00 C ATOM 567 CG GLN A 264 -13.912 0.210 -6.499 1.00 0.00 C ATOM 568 CD GLN A 264 -14.493 1.037 -5.369 1.00 0.00 C ATOM 569 OE1 GLN A 264 -15.634 0.828 -4.956 1.00 0.00 O ATOM 570 NE2 GLN A 264 -13.711 1.983 -4.865 1.00 0.00 N ATOM 0 H GLN A 264 -10.156 -1.031 -6.484 1.00 0.00 H new ATOM 0 HA GLN A 264 -12.684 -2.377 -6.958 1.00 0.00 H new ATOM 0 HB2 GLN A 264 -12.625 -0.836 -5.146 1.00 0.00 H new ATOM 0 HB3 GLN A 264 -11.817 0.391 -6.100 1.00 0.00 H new ATOM 0 HG2 GLN A 264 -13.801 0.837 -7.384 1.00 0.00 H new ATOM 0 HG3 GLN A 264 -14.610 -0.586 -6.758 1.00 0.00 H new ATOM 0 HE21 GLN A 264 -12.772 2.121 -5.238 1.00 0.00 H new ATOM 0 HE22 GLN A 264 -14.049 2.572 -4.104 1.00 0.00 H new ATOM 579 N GLU A 265 -11.394 -0.182 -9.040 1.00 0.00 N ATOM 580 CA GLU A 265 -11.464 0.340 -10.394 1.00 0.00 C ATOM 581 C GLU A 265 -11.727 -0.788 -11.382 1.00 0.00 C ATOM 582 O GLU A 265 -12.811 -0.886 -11.957 1.00 0.00 O ATOM 583 CB GLU A 265 -10.155 1.060 -10.743 1.00 0.00 C ATOM 584 CG GLU A 265 -9.826 1.062 -12.229 1.00 0.00 C ATOM 585 CD GLU A 265 -11.040 1.333 -13.095 1.00 0.00 C ATOM 586 OE1 GLU A 265 -12.080 1.754 -12.545 1.00 0.00 O ATOM 587 OE2 GLU A 265 -10.951 1.123 -14.323 1.00 0.00 O ATOM 0 H GLU A 265 -10.582 0.133 -8.509 1.00 0.00 H new ATOM 0 HA GLU A 265 -12.287 1.052 -10.457 1.00 0.00 H new ATOM 0 HB2 GLU A 265 -10.215 2.091 -10.393 1.00 0.00 H new ATOM 0 HB3 GLU A 265 -9.336 0.587 -10.201 1.00 0.00 H new ATOM 0 HG2 GLU A 265 -9.066 1.818 -12.428 1.00 0.00 H new ATOM 0 HG3 GLU A 265 -9.396 0.099 -12.503 1.00 0.00 H new ATOM 594 N ASN A 266 -10.728 -1.639 -11.567 1.00 0.00 N ATOM 595 CA ASN A 266 -10.849 -2.765 -12.478 1.00 0.00 C ATOM 596 C ASN A 266 -11.052 -4.064 -11.704 1.00 0.00 C ATOM 597 O ASN A 266 -10.102 -4.618 -11.153 1.00 0.00 O ATOM 598 CB ASN A 266 -9.604 -2.871 -13.362 1.00 0.00 C ATOM 599 CG ASN A 266 -9.699 -1.999 -14.598 1.00 0.00 C ATOM 600 OD1 ASN A 266 -10.636 -1.215 -14.750 1.00 0.00 O ATOM 601 ND2 ASN A 266 -8.725 -2.132 -15.492 1.00 0.00 N ATOM 0 H ASN A 266 -9.825 -1.570 -11.098 1.00 0.00 H new ATOM 0 HA ASN A 266 -11.720 -2.599 -13.112 1.00 0.00 H new ATOM 0 HB2 ASN A 266 -8.726 -2.584 -12.784 1.00 0.00 H new ATOM 0 HB3 ASN A 266 -9.462 -3.909 -13.663 1.00 0.00 H new ATOM 0 HD21 ASN A 266 -8.735 -1.572 -16.344 1.00 0.00 H new ATOM 0 HD22 ASN A 266 -7.967 -2.794 -15.326 1.00 0.00 H new ATOM 608 N PRO A 267 -12.290 -4.575 -11.654 1.00 0.00 N ATOM 609 CA PRO A 267 -12.588 -5.819 -10.946 1.00 0.00 C ATOM 610 C PRO A 267 -11.676 -6.948 -11.403 1.00 0.00 C ATOM 611 O PRO A 267 -11.497 -7.945 -10.703 1.00 0.00 O ATOM 612 CB PRO A 267 -14.050 -6.118 -11.312 1.00 0.00 C ATOM 613 CG PRO A 267 -14.380 -5.196 -12.441 1.00 0.00 C ATOM 614 CD PRO A 267 -13.485 -4.001 -12.284 1.00 0.00 C ATOM 0 HA PRO A 267 -12.432 -5.729 -9.871 1.00 0.00 H new ATOM 0 HB2 PRO A 267 -14.175 -7.160 -11.608 1.00 0.00 H new ATOM 0 HB3 PRO A 267 -14.710 -5.947 -10.461 1.00 0.00 H new ATOM 0 HG2 PRO A 267 -14.214 -5.683 -13.402 1.00 0.00 H new ATOM 0 HG3 PRO A 267 -15.429 -4.903 -12.410 1.00 0.00 H new ATOM 0 HD2 PRO A 267 -13.255 -3.539 -13.244 1.00 0.00 H new ATOM 0 HD3 PRO A 267 -13.942 -3.232 -11.661 1.00 0.00 H new ATOM 622 N GLN A 268 -11.093 -6.772 -12.584 1.00 0.00 N ATOM 623 CA GLN A 268 -10.184 -7.762 -13.150 1.00 0.00 C ATOM 624 C GLN A 268 -8.735 -7.399 -12.843 1.00 0.00 C ATOM 625 O GLN A 268 -7.861 -8.265 -12.799 1.00 0.00 O ATOM 626 CB GLN A 268 -10.386 -7.866 -14.663 1.00 0.00 C ATOM 627 CG GLN A 268 -11.791 -8.288 -15.062 1.00 0.00 C ATOM 628 CD GLN A 268 -11.796 -9.458 -16.028 1.00 0.00 C ATOM 629 OE1 GLN A 268 -10.760 -10.071 -16.283 1.00 0.00 O ATOM 630 NE2 GLN A 268 -12.967 -9.771 -16.570 1.00 0.00 N ATOM 0 H GLN A 268 -11.235 -5.949 -13.170 1.00 0.00 H new ATOM 0 HA GLN A 268 -10.406 -8.728 -12.696 1.00 0.00 H new ATOM 0 HB2 GLN A 268 -10.162 -6.901 -15.118 1.00 0.00 H new ATOM 0 HB3 GLN A 268 -9.672 -8.583 -15.068 1.00 0.00 H new ATOM 0 HG2 GLN A 268 -12.353 -8.557 -14.168 1.00 0.00 H new ATOM 0 HG3 GLN A 268 -12.305 -7.442 -15.519 1.00 0.00 H new ATOM 0 HE21 GLN A 268 -13.800 -9.234 -16.329 1.00 0.00 H new ATOM 0 HE22 GLN A 268 -13.033 -10.548 -17.227 1.00 0.00 H new ATOM 639 N LEU A 269 -8.491 -6.108 -12.641 1.00 0.00 N ATOM 640 CA LEU A 269 -7.152 -5.616 -12.345 1.00 0.00 C ATOM 641 C LEU A 269 -6.514 -6.421 -11.218 1.00 0.00 C ATOM 642 O LEU A 269 -5.458 -7.023 -11.398 1.00 0.00 O ATOM 643 CB LEU A 269 -7.200 -4.129 -11.979 1.00 0.00 C ATOM 644 CG LEU A 269 -6.169 -3.670 -10.946 1.00 0.00 C ATOM 645 CD1 LEU A 269 -5.634 -2.291 -11.301 1.00 0.00 C ATOM 646 CD2 LEU A 269 -6.783 -3.663 -9.557 1.00 0.00 C ATOM 0 H LEU A 269 -9.207 -5.382 -12.677 1.00 0.00 H new ATOM 0 HA LEU A 269 -6.539 -5.737 -13.238 1.00 0.00 H new ATOM 0 HB2 LEU A 269 -7.062 -3.544 -12.889 1.00 0.00 H new ATOM 0 HB3 LEU A 269 -8.196 -3.898 -11.600 1.00 0.00 H new ATOM 0 HG LEU A 269 -5.335 -4.372 -10.953 1.00 0.00 H new ATOM 0 HD11 LEU A 269 -4.902 -1.982 -10.555 1.00 0.00 H new ATOM 0 HD12 LEU A 269 -5.160 -2.326 -12.282 1.00 0.00 H new ATOM 0 HD13 LEU A 269 -6.456 -1.576 -11.321 1.00 0.00 H new ATOM 0 HD21 LEU A 269 -6.039 -3.334 -8.832 1.00 0.00 H new ATOM 0 HD22 LEU A 269 -7.633 -2.981 -9.538 1.00 0.00 H new ATOM 0 HD23 LEU A 269 -7.119 -4.668 -9.302 1.00 0.00 H new ATOM 658 N LEU A 270 -7.161 -6.427 -10.058 1.00 0.00 N ATOM 659 CA LEU A 270 -6.651 -7.160 -8.903 1.00 0.00 C ATOM 660 C LEU A 270 -5.997 -8.470 -9.341 1.00 0.00 C ATOM 661 O LEU A 270 -4.836 -8.743 -9.017 1.00 0.00 O ATOM 662 CB LEU A 270 -7.785 -7.435 -7.909 1.00 0.00 C ATOM 663 CG LEU A 270 -7.675 -8.750 -7.134 1.00 0.00 C ATOM 664 CD1 LEU A 270 -8.174 -8.572 -5.708 1.00 0.00 C ATOM 665 CD2 LEU A 270 -8.455 -9.850 -7.839 1.00 0.00 C ATOM 0 H LEU A 270 -8.038 -5.934 -9.892 1.00 0.00 H new ATOM 0 HA LEU A 270 -5.894 -6.548 -8.412 1.00 0.00 H new ATOM 0 HB2 LEU A 270 -7.825 -6.614 -7.194 1.00 0.00 H new ATOM 0 HB3 LEU A 270 -8.730 -7.431 -8.452 1.00 0.00 H new ATOM 0 HG LEU A 270 -6.625 -9.041 -7.097 1.00 0.00 H new ATOM 0 HD11 LEU A 270 -8.088 -9.517 -5.172 1.00 0.00 H new ATOM 0 HD12 LEU A 270 -7.574 -7.814 -5.205 1.00 0.00 H new ATOM 0 HD13 LEU A 270 -9.217 -8.257 -5.724 1.00 0.00 H new ATOM 0 HD21 LEU A 270 -8.366 -10.778 -7.274 1.00 0.00 H new ATOM 0 HD22 LEU A 270 -9.505 -9.565 -7.906 1.00 0.00 H new ATOM 0 HD23 LEU A 270 -8.053 -9.995 -8.842 1.00 0.00 H new ATOM 677 N GLN A 271 -6.748 -9.277 -10.085 1.00 0.00 N ATOM 678 CA GLN A 271 -6.241 -10.554 -10.571 1.00 0.00 C ATOM 679 C GLN A 271 -4.822 -10.400 -11.101 1.00 0.00 C ATOM 680 O GLN A 271 -3.896 -11.061 -10.631 1.00 0.00 O ATOM 681 CB GLN A 271 -7.148 -11.103 -11.672 1.00 0.00 C ATOM 682 CG GLN A 271 -8.580 -11.340 -11.221 1.00 0.00 C ATOM 683 CD GLN A 271 -8.811 -12.757 -10.736 1.00 0.00 C ATOM 684 OE1 GLN A 271 -7.886 -13.429 -10.279 1.00 0.00 O ATOM 685 NE2 GLN A 271 -10.052 -13.221 -10.832 1.00 0.00 N ATOM 0 H GLN A 271 -7.707 -9.069 -10.363 1.00 0.00 H new ATOM 0 HA GLN A 271 -6.230 -11.256 -9.737 1.00 0.00 H new ATOM 0 HB2 GLN A 271 -7.151 -10.406 -12.510 1.00 0.00 H new ATOM 0 HB3 GLN A 271 -6.732 -12.041 -12.039 1.00 0.00 H new ATOM 0 HG2 GLN A 271 -8.825 -10.642 -10.421 1.00 0.00 H new ATOM 0 HG3 GLN A 271 -9.257 -11.128 -12.048 1.00 0.00 H new ATOM 0 HE21 GLN A 271 -10.789 -12.630 -11.217 1.00 0.00 H new ATOM 0 HE22 GLN A 271 -10.268 -14.168 -10.521 1.00 0.00 H new ATOM 694 N GLN A 272 -4.660 -9.519 -12.080 1.00 0.00 N ATOM 695 CA GLN A 272 -3.354 -9.270 -12.675 1.00 0.00 C ATOM 696 C GLN A 272 -2.424 -8.601 -11.670 1.00 0.00 C ATOM 697 O GLN A 272 -1.213 -8.822 -11.689 1.00 0.00 O ATOM 698 CB GLN A 272 -3.497 -8.397 -13.922 1.00 0.00 C ATOM 699 CG GLN A 272 -4.177 -9.104 -15.085 1.00 0.00 C ATOM 700 CD GLN A 272 -3.751 -10.553 -15.214 1.00 0.00 C ATOM 701 OE1 GLN A 272 -2.640 -10.850 -15.649 1.00 0.00 O ATOM 702 NE2 GLN A 272 -4.639 -11.466 -14.834 1.00 0.00 N ATOM 0 H GLN A 272 -5.418 -8.965 -12.479 1.00 0.00 H new ATOM 0 HA GLN A 272 -2.920 -10.228 -12.963 1.00 0.00 H new ATOM 0 HB2 GLN A 272 -4.067 -7.504 -13.667 1.00 0.00 H new ATOM 0 HB3 GLN A 272 -2.508 -8.064 -14.238 1.00 0.00 H new ATOM 0 HG2 GLN A 272 -5.258 -9.057 -14.952 1.00 0.00 H new ATOM 0 HG3 GLN A 272 -3.946 -8.577 -16.011 1.00 0.00 H new ATOM 0 HE21 GLN A 272 -5.550 -11.175 -14.479 1.00 0.00 H new ATOM 0 HE22 GLN A 272 -4.410 -12.458 -14.898 1.00 0.00 H new ATOM 711 N ILE A 273 -2.997 -7.786 -10.788 1.00 0.00 N ATOM 712 CA ILE A 273 -2.216 -7.094 -9.775 1.00 0.00 C ATOM 713 C ILE A 273 -1.248 -8.065 -9.112 1.00 0.00 C ATOM 714 O ILE A 273 -0.096 -7.724 -8.840 1.00 0.00 O ATOM 715 CB ILE A 273 -3.134 -6.415 -8.719 1.00 0.00 C ATOM 716 CG1 ILE A 273 -3.110 -4.900 -8.907 1.00 0.00 C ATOM 717 CG2 ILE A 273 -2.738 -6.771 -7.288 1.00 0.00 C ATOM 718 CD1 ILE A 273 -4.095 -4.165 -8.028 1.00 0.00 C ATOM 0 H ILE A 273 -3.998 -7.591 -10.757 1.00 0.00 H new ATOM 0 HA ILE A 273 -1.643 -6.305 -10.262 1.00 0.00 H new ATOM 0 HB ILE A 273 -4.145 -6.792 -8.877 1.00 0.00 H new ATOM 0 HG12 ILE A 273 -2.105 -4.532 -8.698 1.00 0.00 H new ATOM 0 HG13 ILE A 273 -3.324 -4.668 -9.950 1.00 0.00 H new ATOM 0 HG21 ILE A 273 -3.410 -6.272 -6.590 1.00 0.00 H new ATOM 0 HG22 ILE A 273 -2.807 -7.850 -7.149 1.00 0.00 H new ATOM 0 HG23 ILE A 273 -1.714 -6.446 -7.102 1.00 0.00 H new ATOM 0 HD11 ILE A 273 -4.022 -3.094 -8.216 1.00 0.00 H new ATOM 0 HD12 ILE A 273 -5.106 -4.504 -8.252 1.00 0.00 H new ATOM 0 HD13 ILE A 273 -3.869 -4.366 -6.981 1.00 0.00 H new ATOM 730 N SER A 274 -1.722 -9.282 -8.866 1.00 0.00 N ATOM 731 CA SER A 274 -0.892 -10.310 -8.248 1.00 0.00 C ATOM 732 C SER A 274 0.546 -10.207 -8.750 1.00 0.00 C ATOM 733 O SER A 274 1.490 -10.537 -8.033 1.00 0.00 O ATOM 734 CB SER A 274 -1.454 -11.702 -8.552 1.00 0.00 C ATOM 735 OG SER A 274 -0.489 -12.708 -8.298 1.00 0.00 O ATOM 0 H SER A 274 -2.673 -9.580 -9.084 1.00 0.00 H new ATOM 0 HA SER A 274 -0.899 -10.155 -7.169 1.00 0.00 H new ATOM 0 HB2 SER A 274 -2.340 -11.881 -7.942 1.00 0.00 H new ATOM 0 HB3 SER A 274 -1.769 -11.751 -9.594 1.00 0.00 H new ATOM 0 HG SER A 274 -0.873 -13.587 -8.498 1.00 0.00 H new ATOM 741 N ARG A 275 0.701 -9.743 -9.988 1.00 0.00 N ATOM 742 CA ARG A 275 2.020 -9.586 -10.593 1.00 0.00 C ATOM 743 C ARG A 275 2.936 -8.751 -9.704 1.00 0.00 C ATOM 744 O ARG A 275 3.810 -9.287 -9.024 1.00 0.00 O ATOM 745 CB ARG A 275 1.888 -8.935 -11.971 1.00 0.00 C ATOM 746 CG ARG A 275 2.658 -9.657 -13.065 1.00 0.00 C ATOM 747 CD ARG A 275 2.475 -11.163 -12.973 1.00 0.00 C ATOM 748 NE ARG A 275 1.216 -11.523 -12.329 1.00 0.00 N ATOM 749 CZ ARG A 275 1.009 -12.682 -11.712 1.00 0.00 C ATOM 750 NH1 ARG A 275 1.976 -13.587 -11.657 1.00 0.00 N ATOM 751 NH2 ARG A 275 -0.165 -12.937 -11.151 1.00 0.00 N ATOM 0 H ARG A 275 -0.073 -9.469 -10.593 1.00 0.00 H new ATOM 0 HA ARG A 275 2.465 -10.575 -10.703 1.00 0.00 H new ATOM 0 HB2 ARG A 275 0.834 -8.897 -12.246 1.00 0.00 H new ATOM 0 HB3 ARG A 275 2.239 -7.905 -11.911 1.00 0.00 H new ATOM 0 HG2 ARG A 275 2.320 -9.307 -14.041 1.00 0.00 H new ATOM 0 HG3 ARG A 275 3.717 -9.413 -12.988 1.00 0.00 H new ATOM 0 HD2 ARG A 275 2.506 -11.594 -13.974 1.00 0.00 H new ATOM 0 HD3 ARG A 275 3.305 -11.595 -12.414 1.00 0.00 H new ATOM 0 HE ARG A 275 0.452 -10.848 -12.354 1.00 0.00 H new ATOM 0 HH11 ARG A 275 2.880 -13.394 -12.088 1.00 0.00 H new ATOM 0 HH12 ARG A 275 1.816 -14.476 -11.183 1.00 0.00 H new ATOM 0 HH21 ARG A 275 -0.911 -12.243 -11.192 1.00 0.00 H new ATOM 0 HH22 ARG A 275 -0.322 -13.827 -10.678 1.00 0.00 H new ATOM 765 N HIS A 276 2.731 -7.438 -9.709 1.00 0.00 N ATOM 766 CA HIS A 276 3.545 -6.541 -8.895 1.00 0.00 C ATOM 767 C HIS A 276 2.963 -6.401 -7.494 1.00 0.00 C ATOM 768 O HIS A 276 3.324 -5.491 -6.749 1.00 0.00 O ATOM 769 CB HIS A 276 3.653 -5.165 -9.556 1.00 0.00 C ATOM 770 CG HIS A 276 3.506 -5.200 -11.046 1.00 0.00 C ATOM 771 ND1 HIS A 276 3.024 -4.138 -11.780 1.00 0.00 N ATOM 772 CD2 HIS A 276 3.791 -6.176 -11.942 1.00 0.00 C ATOM 773 CE1 HIS A 276 3.017 -4.458 -13.062 1.00 0.00 C ATOM 774 NE2 HIS A 276 3.478 -5.688 -13.186 1.00 0.00 N ATOM 0 H HIS A 276 2.013 -6.973 -10.264 1.00 0.00 H new ATOM 0 HA HIS A 276 4.543 -6.973 -8.815 1.00 0.00 H new ATOM 0 HB2 HIS A 276 2.887 -4.510 -9.139 1.00 0.00 H new ATOM 0 HB3 HIS A 276 4.619 -4.726 -9.305 1.00 0.00 H new ATOM 0 HD1 HIS A 276 2.720 -3.244 -11.394 1.00 0.00 H new ATOM 0 HD2 HIS A 276 4.190 -7.155 -11.719 1.00 0.00 H new ATOM 0 HE1 HIS A 276 2.690 -3.821 -13.871 1.00 0.00 H new ATOM 783 N GLN A 277 2.060 -7.311 -7.140 1.00 0.00 N ATOM 784 CA GLN A 277 1.431 -7.289 -5.825 1.00 0.00 C ATOM 785 C GLN A 277 2.481 -7.330 -4.723 1.00 0.00 C ATOM 786 O GLN A 277 2.643 -6.370 -3.969 1.00 0.00 O ATOM 787 CB GLN A 277 0.470 -8.470 -5.677 1.00 0.00 C ATOM 788 CG GLN A 277 -0.501 -8.321 -4.517 1.00 0.00 C ATOM 789 CD GLN A 277 -0.090 -9.134 -3.304 1.00 0.00 C ATOM 790 OE1 GLN A 277 1.088 -9.439 -3.117 1.00 0.00 O ATOM 791 NE2 GLN A 277 -1.063 -9.491 -2.474 1.00 0.00 N ATOM 0 H GLN A 277 1.749 -8.071 -7.745 1.00 0.00 H new ATOM 0 HA GLN A 277 0.869 -6.360 -5.732 1.00 0.00 H new ATOM 0 HB2 GLN A 277 -0.096 -8.586 -6.601 1.00 0.00 H new ATOM 0 HB3 GLN A 277 1.048 -9.384 -5.541 1.00 0.00 H new ATOM 0 HG2 GLN A 277 -0.570 -7.269 -4.239 1.00 0.00 H new ATOM 0 HG3 GLN A 277 -1.495 -8.632 -4.838 1.00 0.00 H new ATOM 0 HE21 GLN A 277 -2.026 -9.216 -2.668 1.00 0.00 H new ATOM 0 HE22 GLN A 277 -0.848 -10.040 -1.642 1.00 0.00 H new ATOM 800 N GLU A 278 3.198 -8.447 -4.634 1.00 0.00 N ATOM 801 CA GLU A 278 4.236 -8.606 -3.624 1.00 0.00 C ATOM 802 C GLU A 278 5.035 -7.317 -3.473 1.00 0.00 C ATOM 803 O GLU A 278 5.235 -6.824 -2.363 1.00 0.00 O ATOM 804 CB GLU A 278 5.169 -9.760 -3.995 1.00 0.00 C ATOM 805 CG GLU A 278 4.585 -11.132 -3.701 1.00 0.00 C ATOM 806 CD GLU A 278 4.388 -11.963 -4.954 1.00 0.00 C ATOM 807 OE1 GLU A 278 3.833 -11.430 -5.938 1.00 0.00 O ATOM 808 OE2 GLU A 278 4.788 -13.146 -4.952 1.00 0.00 O ATOM 0 H GLU A 278 3.079 -9.253 -5.248 1.00 0.00 H new ATOM 0 HA GLU A 278 3.756 -8.834 -2.672 1.00 0.00 H new ATOM 0 HB2 GLU A 278 5.408 -9.696 -5.056 1.00 0.00 H new ATOM 0 HB3 GLU A 278 6.106 -9.649 -3.450 1.00 0.00 H new ATOM 0 HG2 GLU A 278 5.245 -11.665 -3.016 1.00 0.00 H new ATOM 0 HG3 GLU A 278 3.628 -11.014 -3.194 1.00 0.00 H new ATOM 815 N GLN A 279 5.483 -6.772 -4.600 1.00 0.00 N ATOM 816 CA GLN A 279 6.253 -5.536 -4.597 1.00 0.00 C ATOM 817 C GLN A 279 5.395 -4.372 -4.114 1.00 0.00 C ATOM 818 O GLN A 279 5.787 -3.631 -3.212 1.00 0.00 O ATOM 819 CB GLN A 279 6.792 -5.242 -5.998 1.00 0.00 C ATOM 820 CG GLN A 279 7.263 -6.482 -6.741 1.00 0.00 C ATOM 821 CD GLN A 279 8.371 -6.183 -7.729 1.00 0.00 C ATOM 822 OE1 GLN A 279 9.552 -6.355 -7.427 1.00 0.00 O ATOM 823 NE2 GLN A 279 7.996 -5.732 -8.920 1.00 0.00 N ATOM 0 H GLN A 279 5.325 -7.168 -5.527 1.00 0.00 H new ATOM 0 HA GLN A 279 7.093 -5.658 -3.914 1.00 0.00 H new ATOM 0 HB2 GLN A 279 6.013 -4.752 -6.583 1.00 0.00 H new ATOM 0 HB3 GLN A 279 7.621 -4.539 -5.919 1.00 0.00 H new ATOM 0 HG2 GLN A 279 7.613 -7.221 -6.021 1.00 0.00 H new ATOM 0 HG3 GLN A 279 6.420 -6.926 -7.270 1.00 0.00 H new ATOM 0 HE21 GLN A 279 7.006 -5.604 -9.128 1.00 0.00 H new ATOM 0 HE22 GLN A 279 8.698 -5.513 -9.627 1.00 0.00 H new ATOM 832 N PHE A 280 4.218 -4.221 -4.713 1.00 0.00 N ATOM 833 CA PHE A 280 3.304 -3.152 -4.334 1.00 0.00 C ATOM 834 C PHE A 280 3.256 -3.013 -2.818 1.00 0.00 C ATOM 835 O PHE A 280 3.565 -1.955 -2.268 1.00 0.00 O ATOM 836 CB PHE A 280 1.902 -3.429 -4.882 1.00 0.00 C ATOM 837 CG PHE A 280 1.010 -2.220 -4.883 1.00 0.00 C ATOM 838 CD1 PHE A 280 1.513 -0.972 -5.214 1.00 0.00 C ATOM 839 CD2 PHE A 280 -0.331 -2.332 -4.554 1.00 0.00 C ATOM 840 CE1 PHE A 280 0.695 0.142 -5.215 1.00 0.00 C ATOM 841 CE2 PHE A 280 -1.154 -1.222 -4.553 1.00 0.00 C ATOM 842 CZ PHE A 280 -0.641 0.016 -4.885 1.00 0.00 C ATOM 0 H PHE A 280 3.876 -4.824 -5.461 1.00 0.00 H new ATOM 0 HA PHE A 280 3.667 -2.218 -4.762 1.00 0.00 H new ATOM 0 HB2 PHE A 280 1.987 -3.809 -5.900 1.00 0.00 H new ATOM 0 HB3 PHE A 280 1.436 -4.214 -4.286 1.00 0.00 H new ATOM 0 HD1 PHE A 280 2.556 -0.869 -5.474 1.00 0.00 H new ATOM 0 HD2 PHE A 280 -0.738 -3.298 -4.295 1.00 0.00 H new ATOM 0 HE1 PHE A 280 1.099 1.110 -5.473 1.00 0.00 H new ATOM 0 HE2 PHE A 280 -2.197 -1.323 -4.293 1.00 0.00 H new ATOM 0 HZ PHE A 280 -1.283 0.885 -4.887 1.00 0.00 H new ATOM 852 N ILE A 281 2.879 -4.095 -2.144 1.00 0.00 N ATOM 853 CA ILE A 281 2.804 -4.099 -0.690 1.00 0.00 C ATOM 854 C ILE A 281 4.199 -4.008 -0.087 1.00 0.00 C ATOM 855 O ILE A 281 4.377 -3.512 1.025 1.00 0.00 O ATOM 856 CB ILE A 281 2.107 -5.368 -0.163 1.00 0.00 C ATOM 857 CG1 ILE A 281 0.711 -5.503 -0.772 1.00 0.00 C ATOM 858 CG2 ILE A 281 2.028 -5.334 1.357 1.00 0.00 C ATOM 859 CD1 ILE A 281 -0.241 -4.404 -0.349 1.00 0.00 C ATOM 0 H ILE A 281 2.621 -4.979 -2.583 1.00 0.00 H new ATOM 0 HA ILE A 281 2.216 -3.231 -0.393 1.00 0.00 H new ATOM 0 HB ILE A 281 2.695 -6.237 -0.459 1.00 0.00 H new ATOM 0 HG12 ILE A 281 0.796 -5.501 -1.859 1.00 0.00 H new ATOM 0 HG13 ILE A 281 0.290 -6.467 -0.487 1.00 0.00 H new ATOM 0 HG21 ILE A 281 1.533 -6.237 1.716 1.00 0.00 H new ATOM 0 HG22 ILE A 281 3.034 -5.282 1.773 1.00 0.00 H new ATOM 0 HG23 ILE A 281 1.460 -4.459 1.672 1.00 0.00 H new ATOM 0 HD11 ILE A 281 -1.212 -4.563 -0.818 1.00 0.00 H new ATOM 0 HD12 ILE A 281 -0.355 -4.419 0.735 1.00 0.00 H new ATOM 0 HD13 ILE A 281 0.158 -3.438 -0.659 1.00 0.00 H new ATOM 871 N GLN A 282 5.190 -4.485 -0.836 1.00 0.00 N ATOM 872 CA GLN A 282 6.575 -4.454 -0.385 1.00 0.00 C ATOM 873 C GLN A 282 7.017 -3.019 -0.120 1.00 0.00 C ATOM 874 O GLN A 282 7.572 -2.713 0.936 1.00 0.00 O ATOM 875 CB GLN A 282 7.491 -5.099 -1.425 1.00 0.00 C ATOM 876 CG GLN A 282 8.912 -5.319 -0.933 1.00 0.00 C ATOM 877 CD GLN A 282 9.022 -6.492 0.020 1.00 0.00 C ATOM 878 OE1 GLN A 282 8.606 -7.607 -0.297 1.00 0.00 O ATOM 879 NE2 GLN A 282 9.584 -6.246 1.198 1.00 0.00 N ATOM 0 H GLN A 282 5.057 -4.898 -1.759 1.00 0.00 H new ATOM 0 HA GLN A 282 6.645 -5.021 0.544 1.00 0.00 H new ATOM 0 HB2 GLN A 282 7.067 -6.057 -1.725 1.00 0.00 H new ATOM 0 HB3 GLN A 282 7.517 -4.469 -2.314 1.00 0.00 H new ATOM 0 HG2 GLN A 282 9.567 -5.487 -1.788 1.00 0.00 H new ATOM 0 HG3 GLN A 282 9.264 -4.416 -0.434 1.00 0.00 H new ATOM 0 HE21 GLN A 282 9.915 -5.307 1.419 1.00 0.00 H new ATOM 0 HE22 GLN A 282 9.685 -6.996 1.882 1.00 0.00 H new ATOM 888 N MET A 283 6.762 -2.142 -1.085 1.00 0.00 N ATOM 889 CA MET A 283 7.126 -0.736 -0.958 1.00 0.00 C ATOM 890 C MET A 283 6.211 -0.034 0.040 1.00 0.00 C ATOM 891 O MET A 283 6.635 0.871 0.757 1.00 0.00 O ATOM 892 CB MET A 283 7.049 -0.043 -2.319 1.00 0.00 C ATOM 893 CG MET A 283 8.411 0.236 -2.936 1.00 0.00 C ATOM 894 SD MET A 283 9.428 -1.247 -3.071 1.00 0.00 S ATOM 895 CE MET A 283 9.207 -1.652 -4.802 1.00 0.00 C ATOM 0 H MET A 283 6.304 -2.381 -1.965 1.00 0.00 H new ATOM 0 HA MET A 283 8.151 -0.678 -0.591 1.00 0.00 H new ATOM 0 HB2 MET A 283 6.470 -0.665 -3.002 1.00 0.00 H new ATOM 0 HB3 MET A 283 6.509 0.898 -2.209 1.00 0.00 H new ATOM 0 HG2 MET A 283 8.275 0.670 -3.926 1.00 0.00 H new ATOM 0 HG3 MET A 283 8.934 0.977 -2.332 1.00 0.00 H new ATOM 0 HE1 MET A 283 9.777 -2.550 -5.041 1.00 0.00 H new ATOM 0 HE2 MET A 283 8.150 -1.828 -5.002 1.00 0.00 H new ATOM 0 HE3 MET A 283 9.560 -0.824 -5.417 1.00 0.00 H new ATOM 905 N LEU A 284 4.954 -0.466 0.083 1.00 0.00 N ATOM 906 CA LEU A 284 3.977 0.113 0.997 1.00 0.00 C ATOM 907 C LEU A 284 4.587 0.295 2.379 1.00 0.00 C ATOM 908 O LEU A 284 4.428 1.340 3.009 1.00 0.00 O ATOM 909 CB LEU A 284 2.739 -0.781 1.084 1.00 0.00 C ATOM 910 CG LEU A 284 1.408 -0.035 1.184 1.00 0.00 C ATOM 911 CD1 LEU A 284 1.372 0.827 2.437 1.00 0.00 C ATOM 912 CD2 LEU A 284 1.180 0.813 -0.057 1.00 0.00 C ATOM 0 H LEU A 284 4.589 -1.215 -0.505 1.00 0.00 H new ATOM 0 HA LEU A 284 3.681 1.089 0.614 1.00 0.00 H new ATOM 0 HB2 LEU A 284 2.712 -1.425 0.205 1.00 0.00 H new ATOM 0 HB3 LEU A 284 2.840 -1.432 1.953 1.00 0.00 H new ATOM 0 HG LEU A 284 0.605 -0.769 1.251 1.00 0.00 H new ATOM 0 HD11 LEU A 284 0.417 1.350 2.491 1.00 0.00 H new ATOM 0 HD12 LEU A 284 1.490 0.195 3.317 1.00 0.00 H new ATOM 0 HD13 LEU A 284 2.183 1.554 2.402 1.00 0.00 H new ATOM 0 HD21 LEU A 284 0.228 1.337 0.030 1.00 0.00 H new ATOM 0 HD22 LEU A 284 1.987 1.539 -0.155 1.00 0.00 H new ATOM 0 HD23 LEU A 284 1.161 0.171 -0.938 1.00 0.00 H new ATOM 924 N ASN A 285 5.293 -0.730 2.841 1.00 0.00 N ATOM 925 CA ASN A 285 5.939 -0.687 4.145 1.00 0.00 C ATOM 926 C ASN A 285 7.342 -0.105 4.026 1.00 0.00 C ATOM 927 O ASN A 285 8.287 -0.610 4.634 1.00 0.00 O ATOM 928 CB ASN A 285 6.003 -2.089 4.756 1.00 0.00 C ATOM 929 CG ASN A 285 4.829 -2.374 5.671 1.00 0.00 C ATOM 930 OD1 ASN A 285 4.941 -2.275 6.893 1.00 0.00 O ATOM 931 ND2 ASN A 285 3.693 -2.729 5.083 1.00 0.00 N ATOM 0 H ASN A 285 5.432 -1.602 2.330 1.00 0.00 H new ATOM 0 HA ASN A 285 5.348 -0.046 4.799 1.00 0.00 H new ATOM 0 HB2 ASN A 285 6.026 -2.830 3.957 1.00 0.00 H new ATOM 0 HB3 ASN A 285 6.932 -2.196 5.317 1.00 0.00 H new ATOM 0 HD21 ASN A 285 2.868 -2.932 5.648 1.00 0.00 H new ATOM 0 HD22 ASN A 285 3.645 -2.799 4.067 1.00 0.00 H new ATOM 938 N GLU A 286 7.463 0.957 3.229 1.00 0.00 N ATOM 939 CA GLU A 286 8.743 1.626 3.007 1.00 0.00 C ATOM 940 C GLU A 286 9.669 1.476 4.215 1.00 0.00 C ATOM 941 O GLU A 286 9.212 1.394 5.355 1.00 0.00 O ATOM 942 CB GLU A 286 8.511 3.112 2.689 1.00 0.00 C ATOM 943 CG GLU A 286 8.771 4.056 3.856 1.00 0.00 C ATOM 944 CD GLU A 286 10.166 4.651 3.821 1.00 0.00 C ATOM 945 OE1 GLU A 286 11.141 3.887 3.975 1.00 0.00 O ATOM 946 OE2 GLU A 286 10.281 5.881 3.640 1.00 0.00 O ATOM 0 H GLU A 286 6.682 1.375 2.723 1.00 0.00 H new ATOM 0 HA GLU A 286 9.231 1.150 2.156 1.00 0.00 H new ATOM 0 HB2 GLU A 286 9.155 3.397 1.857 1.00 0.00 H new ATOM 0 HB3 GLU A 286 7.482 3.243 2.355 1.00 0.00 H new ATOM 0 HG2 GLU A 286 8.036 4.860 3.839 1.00 0.00 H new ATOM 0 HG3 GLU A 286 8.633 3.517 4.793 1.00 0.00 H new