USER MOD reduce.3.24.130724 H: found=0, std=0, add=461, rem=0, adj=5 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 276 HIS :FLIP no HD1:sc= -6.63! C(o=-8.3!,f=-6.8!) USER MOD Set 1.2: A 279 GLN : amide:sc= -0.176 K(o=-6.8,f=-8.6) USER MOD Set 2.1: A 249 GLN : amide:sc= -1.09 K(o=-1.1,f=-3.4!) USER MOD Set 2.2: A 250 GLN : amide:sc=-0.00197 X(o=-1.1,f=-1.3) USER MOD Single : A 238 GLN : amide:sc= -0.031 X(o=-0.031,f=0) USER MOD Single : A 240 GLN :FLIP amide:sc= -4.05! C(o=-5!,f=-4.1!) USER MOD Single : A 242 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 243 ASN : amide:sc= 0 X(o=0,f=-0.045) USER MOD Single : A 244 MET CE :methyl 143:sc= -0.543 (180deg=-4.29!) USER MOD Single : A 246 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 251 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 260 GLN : amide:sc= -0.0678 X(o=-0.068,f=0) USER MOD Single : A 261 GLN : amide:sc= -0.175 X(o=-0.18,f=-0.01) USER MOD Single : A 264 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 266 ASN : amide:sc= -0.14 K(o=-0.14,f=-0.69) USER MOD Single : A 268 GLN : amide:sc= -0.16 X(o=-0.16,f=0) USER MOD Single : A 271 GLN : amide:sc= 0 K(o=0,f=-0.68) USER MOD Single : A 272 GLN : amide:sc= -0.571 X(o=-0.57,f=-0.97) USER MOD Single : A 274 SER OG : rot 180:sc= 0 USER MOD Single : A 277 GLN : amide:sc= -4.02! C(o=-4!,f=-4.9!) USER MOD Single : A 282 GLN : amide:sc=-0.00323 X(o=-0.0032,f=0) USER MOD Single : A 283 MET CE :methyl -149:sc= -0.118 (180deg=-0.274) USER MOD Single : A 285 ASN : amide:sc= -0.459 K(o=-0.46,f=-1.6) USER MOD ----------------------------------------------------------------- ATOM 29 N LEU A 232 -1.182 -3.552 -14.337 1.00 0.00 N ATOM 30 CA LEU A 232 -0.302 -3.073 -13.280 1.00 0.00 C ATOM 31 C LEU A 232 0.971 -2.479 -13.872 1.00 0.00 C ATOM 32 O LEU A 232 1.568 -1.571 -13.297 1.00 0.00 O ATOM 33 CB LEU A 232 0.050 -4.214 -12.322 1.00 0.00 C ATOM 34 CG LEU A 232 -0.198 -3.917 -10.842 1.00 0.00 C ATOM 35 CD1 LEU A 232 0.665 -4.811 -9.965 1.00 0.00 C ATOM 36 CD2 LEU A 232 0.073 -2.451 -10.541 1.00 0.00 C ATOM 0 HA LEU A 232 -0.826 -2.295 -12.725 1.00 0.00 H new ATOM 0 HB2 LEU A 232 -0.528 -5.094 -12.602 1.00 0.00 H new ATOM 0 HB3 LEU A 232 1.102 -4.468 -12.455 1.00 0.00 H new ATOM 0 HG LEU A 232 -1.244 -4.127 -10.620 1.00 0.00 H new ATOM 0 HD11 LEU A 232 0.474 -4.585 -8.916 1.00 0.00 H new ATOM 0 HD12 LEU A 232 0.423 -5.856 -10.161 1.00 0.00 H new ATOM 0 HD13 LEU A 232 1.717 -4.634 -10.189 1.00 0.00 H new ATOM 0 HD21 LEU A 232 -0.108 -2.257 -9.484 1.00 0.00 H new ATOM 0 HD22 LEU A 232 1.110 -2.216 -10.780 1.00 0.00 H new ATOM 0 HD23 LEU A 232 -0.588 -1.828 -11.143 1.00 0.00 H new ATOM 48 N GLU A 233 1.377 -2.995 -15.027 1.00 0.00 N ATOM 49 CA GLU A 233 2.578 -2.512 -15.699 1.00 0.00 C ATOM 50 C GLU A 233 2.656 -0.991 -15.631 1.00 0.00 C ATOM 51 O GLU A 233 3.667 -0.429 -15.209 1.00 0.00 O ATOM 52 CB GLU A 233 2.592 -2.972 -17.157 1.00 0.00 C ATOM 53 CG GLU A 233 2.290 -4.452 -17.330 1.00 0.00 C ATOM 54 CD GLU A 233 3.478 -5.231 -17.859 1.00 0.00 C ATOM 55 OE1 GLU A 233 4.609 -4.974 -17.396 1.00 0.00 O ATOM 56 OE2 GLU A 233 3.278 -6.099 -18.735 1.00 0.00 O ATOM 0 H GLU A 233 0.893 -3.747 -15.517 1.00 0.00 H new ATOM 0 HA GLU A 233 3.447 -2.928 -15.189 1.00 0.00 H new ATOM 0 HB2 GLU A 233 1.860 -2.392 -17.719 1.00 0.00 H new ATOM 0 HB3 GLU A 233 3.570 -2.756 -17.588 1.00 0.00 H new ATOM 0 HG2 GLU A 233 1.983 -4.871 -16.372 1.00 0.00 H new ATOM 0 HG3 GLU A 233 1.449 -4.570 -18.014 1.00 0.00 H new ATOM 63 N PHE A 234 1.579 -0.330 -16.044 1.00 0.00 N ATOM 64 CA PHE A 234 1.528 1.127 -16.023 1.00 0.00 C ATOM 65 C PHE A 234 1.667 1.644 -14.594 1.00 0.00 C ATOM 66 O PHE A 234 2.487 2.519 -14.315 1.00 0.00 O ATOM 67 CB PHE A 234 0.222 1.625 -16.655 1.00 0.00 C ATOM 68 CG PHE A 234 -0.869 1.902 -15.661 1.00 0.00 C ATOM 69 CD1 PHE A 234 -0.853 3.064 -14.907 1.00 0.00 C ATOM 70 CD2 PHE A 234 -1.905 1.003 -15.479 1.00 0.00 C ATOM 71 CE1 PHE A 234 -1.850 3.322 -13.988 1.00 0.00 C ATOM 72 CE2 PHE A 234 -2.907 1.256 -14.563 1.00 0.00 C ATOM 73 CZ PHE A 234 -2.878 2.417 -13.816 1.00 0.00 C ATOM 0 H PHE A 234 0.733 -0.778 -16.396 1.00 0.00 H new ATOM 0 HA PHE A 234 2.362 1.513 -16.609 1.00 0.00 H new ATOM 0 HB2 PHE A 234 0.427 2.536 -17.218 1.00 0.00 H new ATOM 0 HB3 PHE A 234 -0.131 0.881 -17.369 1.00 0.00 H new ATOM 0 HD1 PHE A 234 -0.052 3.776 -15.040 1.00 0.00 H new ATOM 0 HD2 PHE A 234 -1.930 0.093 -16.060 1.00 0.00 H new ATOM 0 HE1 PHE A 234 -1.826 4.230 -13.404 1.00 0.00 H new ATOM 0 HE2 PHE A 234 -3.711 0.547 -14.431 1.00 0.00 H new ATOM 0 HZ PHE A 234 -3.659 2.617 -13.098 1.00 0.00 H new ATOM 83 N LEU A 235 0.863 1.088 -13.693 1.00 0.00 N ATOM 84 CA LEU A 235 0.898 1.481 -12.291 1.00 0.00 C ATOM 85 C LEU A 235 2.261 1.168 -11.682 1.00 0.00 C ATOM 86 O LEU A 235 2.725 1.863 -10.778 1.00 0.00 O ATOM 87 CB LEU A 235 -0.202 0.756 -11.513 1.00 0.00 C ATOM 88 CG LEU A 235 -0.455 1.285 -10.101 1.00 0.00 C ATOM 89 CD1 LEU A 235 0.637 0.817 -9.153 1.00 0.00 C ATOM 90 CD2 LEU A 235 -0.543 2.803 -10.109 1.00 0.00 C ATOM 0 H LEU A 235 0.179 0.363 -13.910 1.00 0.00 H new ATOM 0 HA LEU A 235 0.727 2.556 -12.229 1.00 0.00 H new ATOM 0 HB2 LEU A 235 -1.130 0.822 -12.080 1.00 0.00 H new ATOM 0 HB3 LEU A 235 0.057 -0.301 -11.447 1.00 0.00 H new ATOM 0 HG LEU A 235 -1.407 0.888 -9.749 1.00 0.00 H new ATOM 0 HD11 LEU A 235 0.441 1.203 -8.153 1.00 0.00 H new ATOM 0 HD12 LEU A 235 0.652 -0.273 -9.125 1.00 0.00 H new ATOM 0 HD13 LEU A 235 1.603 1.184 -9.500 1.00 0.00 H new ATOM 0 HD21 LEU A 235 -0.723 3.162 -9.096 1.00 0.00 H new ATOM 0 HD22 LEU A 235 0.393 3.220 -10.481 1.00 0.00 H new ATOM 0 HD23 LEU A 235 -1.362 3.117 -10.756 1.00 0.00 H new ATOM 102 N ARG A 236 2.900 0.120 -12.193 1.00 0.00 N ATOM 103 CA ARG A 236 4.213 -0.288 -11.712 1.00 0.00 C ATOM 104 C ARG A 236 5.268 0.740 -12.103 1.00 0.00 C ATOM 105 O ARG A 236 6.241 0.954 -11.380 1.00 0.00 O ATOM 106 CB ARG A 236 4.585 -1.660 -12.277 1.00 0.00 C ATOM 107 CG ARG A 236 3.892 -2.817 -11.575 1.00 0.00 C ATOM 108 CD ARG A 236 3.775 -4.030 -12.484 1.00 0.00 C ATOM 109 NE ARG A 236 4.982 -4.232 -13.281 1.00 0.00 N ATOM 110 CZ ARG A 236 5.031 -5.008 -14.358 1.00 0.00 C ATOM 111 NH1 ARG A 236 3.945 -5.654 -14.762 1.00 0.00 N ATOM 112 NH2 ARG A 236 6.165 -5.140 -15.032 1.00 0.00 N ATOM 0 H ARG A 236 2.527 -0.463 -12.942 1.00 0.00 H new ATOM 0 HA ARG A 236 4.174 -0.354 -10.625 1.00 0.00 H new ATOM 0 HB2 ARG A 236 4.334 -1.687 -13.337 1.00 0.00 H new ATOM 0 HB3 ARG A 236 5.664 -1.794 -12.201 1.00 0.00 H new ATOM 0 HG2 ARG A 236 4.449 -3.086 -10.678 1.00 0.00 H new ATOM 0 HG3 ARG A 236 2.899 -2.506 -11.252 1.00 0.00 H new ATOM 0 HD2 ARG A 236 3.585 -4.918 -11.881 1.00 0.00 H new ATOM 0 HD3 ARG A 236 2.919 -3.906 -13.147 1.00 0.00 H new ATOM 0 HE ARG A 236 5.835 -3.751 -12.995 1.00 0.00 H new ATOM 0 HH11 ARG A 236 3.071 -5.555 -14.245 1.00 0.00 H new ATOM 0 HH12 ARG A 236 3.984 -6.250 -15.589 1.00 0.00 H new ATOM 0 HH21 ARG A 236 7.002 -4.645 -14.724 1.00 0.00 H new ATOM 0 HH22 ARG A 236 6.200 -5.736 -15.859 1.00 0.00 H new ATOM 126 N ASP A 237 5.064 1.376 -13.251 1.00 0.00 N ATOM 127 CA ASP A 237 5.993 2.387 -13.740 1.00 0.00 C ATOM 128 C ASP A 237 5.861 3.675 -12.934 1.00 0.00 C ATOM 129 O ASP A 237 6.823 4.426 -12.782 1.00 0.00 O ATOM 130 CB ASP A 237 5.740 2.669 -15.221 1.00 0.00 C ATOM 131 CG ASP A 237 6.794 2.047 -16.117 1.00 0.00 C ATOM 132 OD1 ASP A 237 7.948 2.526 -16.097 1.00 0.00 O ATOM 133 OD2 ASP A 237 6.466 1.082 -16.838 1.00 0.00 O ATOM 0 H ASP A 237 4.263 1.209 -13.860 1.00 0.00 H new ATOM 0 HA ASP A 237 7.007 2.005 -13.621 1.00 0.00 H new ATOM 0 HB2 ASP A 237 4.758 2.285 -15.499 1.00 0.00 H new ATOM 0 HB3 ASP A 237 5.718 3.746 -15.384 1.00 0.00 H new ATOM 138 N GLN A 238 4.660 3.922 -12.419 1.00 0.00 N ATOM 139 CA GLN A 238 4.398 5.118 -11.628 1.00 0.00 C ATOM 140 C GLN A 238 4.928 4.957 -10.206 1.00 0.00 C ATOM 141 O GLN A 238 5.210 3.846 -9.758 1.00 0.00 O ATOM 142 CB GLN A 238 2.898 5.413 -11.594 1.00 0.00 C ATOM 143 CG GLN A 238 2.474 6.518 -12.548 1.00 0.00 C ATOM 144 CD GLN A 238 1.005 6.870 -12.414 1.00 0.00 C ATOM 145 OE1 GLN A 238 0.648 8.029 -12.200 1.00 0.00 O ATOM 146 NE2 GLN A 238 0.142 5.868 -12.542 1.00 0.00 N ATOM 0 H GLN A 238 3.853 3.309 -12.536 1.00 0.00 H new ATOM 0 HA GLN A 238 4.916 5.954 -12.097 1.00 0.00 H new ATOM 0 HB2 GLN A 238 2.351 4.503 -11.840 1.00 0.00 H new ATOM 0 HB3 GLN A 238 2.614 5.691 -10.579 1.00 0.00 H new ATOM 0 HG2 GLN A 238 3.076 7.407 -12.359 1.00 0.00 H new ATOM 0 HG3 GLN A 238 2.678 6.207 -13.573 1.00 0.00 H new ATOM 0 HE21 GLN A 238 0.481 4.922 -12.719 1.00 0.00 H new ATOM 0 HE22 GLN A 238 -0.860 6.044 -12.463 1.00 0.00 H new ATOM 155 N PRO A 239 5.070 6.076 -9.478 1.00 0.00 N ATOM 156 CA PRO A 239 5.568 6.072 -8.102 1.00 0.00 C ATOM 157 C PRO A 239 4.483 5.730 -7.085 1.00 0.00 C ATOM 158 O PRO A 239 4.642 5.975 -5.889 1.00 0.00 O ATOM 159 CB PRO A 239 6.037 7.511 -7.914 1.00 0.00 C ATOM 160 CG PRO A 239 5.117 8.313 -8.769 1.00 0.00 C ATOM 161 CD PRO A 239 4.759 7.440 -9.947 1.00 0.00 C ATOM 0 HA PRO A 239 6.342 5.321 -7.945 1.00 0.00 H new ATOM 0 HB2 PRO A 239 5.976 7.816 -6.869 1.00 0.00 H new ATOM 0 HB3 PRO A 239 7.075 7.634 -8.222 1.00 0.00 H new ATOM 0 HG2 PRO A 239 4.224 8.602 -8.214 1.00 0.00 H new ATOM 0 HG3 PRO A 239 5.598 9.233 -9.100 1.00 0.00 H new ATOM 0 HD2 PRO A 239 3.707 7.541 -10.216 1.00 0.00 H new ATOM 0 HD3 PRO A 239 5.340 7.702 -10.831 1.00 0.00 H new ATOM 169 N GLN A 240 3.379 5.165 -7.564 1.00 0.00 N ATOM 170 CA GLN A 240 2.270 4.794 -6.692 1.00 0.00 C ATOM 171 C GLN A 240 2.780 4.151 -5.408 1.00 0.00 C ATOM 172 O GLN A 240 2.474 4.611 -4.307 1.00 0.00 O ATOM 173 CB GLN A 240 1.322 3.835 -7.415 1.00 0.00 C ATOM 174 CG GLN A 240 -0.146 4.191 -7.248 1.00 0.00 C ATOM 175 CD GLN A 240 -0.636 5.155 -8.310 1.00 0.00 C ATOM 176 OE1 GLN A 240 0.245 6.043 -8.757 1.00 0.00 O flip ATOM 177 NE2 GLN A 240 -1.794 5.104 -8.723 1.00 0.00 N flip ATOM 0 H GLN A 240 3.229 4.954 -8.551 1.00 0.00 H new ATOM 0 HA GLN A 240 1.727 5.702 -6.432 1.00 0.00 H new ATOM 0 HB2 GLN A 240 1.567 3.827 -8.477 1.00 0.00 H new ATOM 0 HB3 GLN A 240 1.487 2.824 -7.042 1.00 0.00 H new ATOM 0 HG2 GLN A 240 -0.744 3.280 -7.286 1.00 0.00 H new ATOM 0 HG3 GLN A 240 -0.299 4.632 -6.263 1.00 0.00 H new ATOM 0 HE21 GLN A 240 -2.438 4.405 -8.352 1.00 0.00 H new ATOM 0 HE22 GLN A 240 -2.110 5.760 -9.437 1.00 0.00 H new ATOM 186 N PHE A 241 3.560 3.085 -5.554 1.00 0.00 N ATOM 187 CA PHE A 241 4.110 2.380 -4.400 1.00 0.00 C ATOM 188 C PHE A 241 4.694 3.364 -3.394 1.00 0.00 C ATOM 189 O PHE A 241 4.297 3.385 -2.229 1.00 0.00 O ATOM 190 CB PHE A 241 5.187 1.383 -4.838 1.00 0.00 C ATOM 191 CG PHE A 241 5.811 1.710 -6.163 1.00 0.00 C ATOM 192 CD1 PHE A 241 5.272 1.211 -7.337 1.00 0.00 C ATOM 193 CD2 PHE A 241 6.935 2.517 -6.235 1.00 0.00 C ATOM 194 CE1 PHE A 241 5.841 1.511 -8.559 1.00 0.00 C ATOM 195 CE2 PHE A 241 7.509 2.821 -7.454 1.00 0.00 C ATOM 196 CZ PHE A 241 6.961 2.318 -8.618 1.00 0.00 C ATOM 0 H PHE A 241 3.825 2.691 -6.457 1.00 0.00 H new ATOM 0 HA PHE A 241 3.297 1.833 -3.923 1.00 0.00 H new ATOM 0 HB2 PHE A 241 5.967 1.348 -4.078 1.00 0.00 H new ATOM 0 HB3 PHE A 241 4.748 0.387 -4.890 1.00 0.00 H new ATOM 0 HD1 PHE A 241 4.397 0.580 -7.296 1.00 0.00 H new ATOM 0 HD2 PHE A 241 7.367 2.913 -5.328 1.00 0.00 H new ATOM 0 HE1 PHE A 241 5.411 1.115 -9.467 1.00 0.00 H new ATOM 0 HE2 PHE A 241 8.385 3.451 -7.497 1.00 0.00 H new ATOM 0 HZ PHE A 241 7.407 2.555 -9.572 1.00 0.00 H new ATOM 206 N GLN A 242 5.638 4.182 -3.850 1.00 0.00 N ATOM 207 CA GLN A 242 6.273 5.170 -2.987 1.00 0.00 C ATOM 208 C GLN A 242 5.253 6.204 -2.512 1.00 0.00 C ATOM 209 O GLN A 242 4.945 6.282 -1.323 1.00 0.00 O ATOM 210 CB GLN A 242 7.418 5.867 -3.724 1.00 0.00 C ATOM 211 CG GLN A 242 8.347 6.644 -2.807 1.00 0.00 C ATOM 212 CD GLN A 242 9.615 7.094 -3.507 1.00 0.00 C ATOM 213 OE1 GLN A 242 10.597 6.355 -3.574 1.00 0.00 O ATOM 214 NE2 GLN A 242 9.599 8.313 -4.034 1.00 0.00 N ATOM 0 H GLN A 242 5.979 4.180 -4.811 1.00 0.00 H new ATOM 0 HA GLN A 242 6.677 4.652 -2.117 1.00 0.00 H new ATOM 0 HB2 GLN A 242 7.998 5.120 -4.267 1.00 0.00 H new ATOM 0 HB3 GLN A 242 7.001 6.548 -4.466 1.00 0.00 H new ATOM 0 HG2 GLN A 242 7.822 7.516 -2.418 1.00 0.00 H new ATOM 0 HG3 GLN A 242 8.610 6.023 -1.951 1.00 0.00 H new ATOM 0 HE21 GLN A 242 8.763 8.892 -3.955 1.00 0.00 H new ATOM 0 HE22 GLN A 242 10.423 8.670 -4.518 1.00 0.00 H new ATOM 223 N ASN A 243 4.730 6.991 -3.450 1.00 0.00 N ATOM 224 CA ASN A 243 3.741 8.014 -3.122 1.00 0.00 C ATOM 225 C ASN A 243 2.794 7.509 -2.040 1.00 0.00 C ATOM 226 O ASN A 243 2.770 8.030 -0.922 1.00 0.00 O ATOM 227 CB ASN A 243 2.949 8.406 -4.370 1.00 0.00 C ATOM 228 CG ASN A 243 2.705 9.900 -4.455 1.00 0.00 C ATOM 229 OD1 ASN A 243 3.646 10.693 -4.497 1.00 0.00 O ATOM 230 ND2 ASN A 243 1.437 10.293 -4.478 1.00 0.00 N ATOM 0 H ASN A 243 4.974 6.940 -4.439 1.00 0.00 H new ATOM 0 HA ASN A 243 4.265 8.893 -2.747 1.00 0.00 H new ATOM 0 HB2 ASN A 243 3.490 8.078 -5.258 1.00 0.00 H new ATOM 0 HB3 ASN A 243 1.992 7.884 -4.368 1.00 0.00 H new ATOM 0 HD21 ASN A 243 1.212 11.286 -4.532 1.00 0.00 H new ATOM 0 HD22 ASN A 243 0.688 9.602 -4.441 1.00 0.00 H new ATOM 237 N MET A 244 2.022 6.480 -2.374 1.00 0.00 N ATOM 238 CA MET A 244 1.089 5.895 -1.426 1.00 0.00 C ATOM 239 C MET A 244 1.792 5.618 -0.109 1.00 0.00 C ATOM 240 O MET A 244 1.494 6.235 0.914 1.00 0.00 O ATOM 241 CB MET A 244 0.513 4.592 -1.982 1.00 0.00 C ATOM 242 CG MET A 244 -0.604 4.802 -2.982 1.00 0.00 C ATOM 243 SD MET A 244 -0.825 3.393 -4.085 1.00 0.00 S ATOM 244 CE MET A 244 -0.895 2.047 -2.906 1.00 0.00 C ATOM 0 H MET A 244 2.026 6.037 -3.293 1.00 0.00 H new ATOM 0 HA MET A 244 0.275 6.601 -1.260 1.00 0.00 H new ATOM 0 HB2 MET A 244 1.313 4.024 -2.457 1.00 0.00 H new ATOM 0 HB3 MET A 244 0.141 3.987 -1.155 1.00 0.00 H new ATOM 0 HG2 MET A 244 -1.535 4.989 -2.447 1.00 0.00 H new ATOM 0 HG3 MET A 244 -0.393 5.692 -3.574 1.00 0.00 H new ATOM 0 HE1 MET A 244 -1.619 1.305 -3.243 1.00 0.00 H new ATOM 0 HE2 MET A 244 0.088 1.583 -2.824 1.00 0.00 H new ATOM 0 HE3 MET A 244 -1.197 2.432 -1.932 1.00 0.00 H new ATOM 254 N ARG A 245 2.733 4.684 -0.153 1.00 0.00 N ATOM 255 CA ARG A 245 3.501 4.302 1.020 1.00 0.00 C ATOM 256 C ARG A 245 3.892 5.516 1.851 1.00 0.00 C ATOM 257 O ARG A 245 4.032 5.413 3.061 1.00 0.00 O ATOM 258 CB ARG A 245 4.757 3.533 0.592 1.00 0.00 C ATOM 259 CG ARG A 245 5.790 3.369 1.697 1.00 0.00 C ATOM 260 CD ARG A 245 7.207 3.537 1.166 1.00 0.00 C ATOM 261 NE ARG A 245 7.899 4.661 1.796 1.00 0.00 N ATOM 262 CZ ARG A 245 8.098 5.844 1.215 1.00 0.00 C ATOM 263 NH1 ARG A 245 7.630 6.089 -0.003 1.00 0.00 N ATOM 264 NH2 ARG A 245 8.759 6.794 1.862 1.00 0.00 N ATOM 0 H ARG A 245 2.983 4.173 -1.000 1.00 0.00 H new ATOM 0 HA ARG A 245 2.874 3.661 1.639 1.00 0.00 H new ATOM 0 HB2 ARG A 245 4.462 2.546 0.235 1.00 0.00 H new ATOM 0 HB3 ARG A 245 5.219 4.051 -0.249 1.00 0.00 H new ATOM 0 HG2 ARG A 245 5.605 4.103 2.481 1.00 0.00 H new ATOM 0 HG3 ARG A 245 5.685 2.384 2.151 1.00 0.00 H new ATOM 0 HD2 ARG A 245 7.771 2.620 1.341 1.00 0.00 H new ATOM 0 HD3 ARG A 245 7.174 3.690 0.087 1.00 0.00 H new ATOM 0 HE ARG A 245 8.253 4.531 2.744 1.00 0.00 H new ATOM 0 HH11 ARG A 245 7.112 5.368 -0.505 1.00 0.00 H new ATOM 0 HH12 ARG A 245 7.789 6.998 -0.437 1.00 0.00 H new ATOM 0 HH21 ARG A 245 9.114 6.619 2.802 1.00 0.00 H new ATOM 0 HH22 ARG A 245 8.913 7.700 1.420 1.00 0.00 H new ATOM 278 N GLN A 246 4.081 6.662 1.202 1.00 0.00 N ATOM 279 CA GLN A 246 4.473 7.876 1.913 1.00 0.00 C ATOM 280 C GLN A 246 3.332 8.422 2.765 1.00 0.00 C ATOM 281 O GLN A 246 3.407 8.416 3.995 1.00 0.00 O ATOM 282 CB GLN A 246 4.943 8.949 0.929 1.00 0.00 C ATOM 283 CG GLN A 246 6.242 8.601 0.222 1.00 0.00 C ATOM 284 CD GLN A 246 7.086 9.824 -0.078 1.00 0.00 C ATOM 285 OE1 GLN A 246 7.828 10.306 0.778 1.00 0.00 O ATOM 286 NE2 GLN A 246 6.977 10.333 -1.299 1.00 0.00 N ATOM 0 H GLN A 246 3.970 6.776 0.194 1.00 0.00 H new ATOM 0 HA GLN A 246 5.296 7.611 2.576 1.00 0.00 H new ATOM 0 HB2 GLN A 246 4.165 9.111 0.183 1.00 0.00 H new ATOM 0 HB3 GLN A 246 5.072 9.890 1.465 1.00 0.00 H new ATOM 0 HG2 GLN A 246 6.815 7.911 0.841 1.00 0.00 H new ATOM 0 HG3 GLN A 246 6.017 8.082 -0.709 1.00 0.00 H new ATOM 0 HE21 GLN A 246 6.349 9.901 -1.977 1.00 0.00 H new ATOM 0 HE22 GLN A 246 7.521 11.156 -1.559 1.00 0.00 H new ATOM 295 N VAL A 247 2.279 8.899 2.109 1.00 0.00 N ATOM 296 CA VAL A 247 1.131 9.452 2.820 1.00 0.00 C ATOM 297 C VAL A 247 0.701 8.533 3.959 1.00 0.00 C ATOM 298 O VAL A 247 0.457 8.981 5.080 1.00 0.00 O ATOM 299 CB VAL A 247 -0.065 9.674 1.876 1.00 0.00 C ATOM 300 CG1 VAL A 247 0.213 10.825 0.921 1.00 0.00 C ATOM 301 CG2 VAL A 247 -0.385 8.400 1.109 1.00 0.00 C ATOM 0 H VAL A 247 2.196 8.914 1.092 1.00 0.00 H new ATOM 0 HA VAL A 247 1.443 10.414 3.226 1.00 0.00 H new ATOM 0 HB VAL A 247 -0.935 9.935 2.479 1.00 0.00 H new ATOM 0 HG11 VAL A 247 -0.644 10.966 0.262 1.00 0.00 H new ATOM 0 HG12 VAL A 247 0.386 11.737 1.492 1.00 0.00 H new ATOM 0 HG13 VAL A 247 1.096 10.597 0.324 1.00 0.00 H new ATOM 0 HG21 VAL A 247 -1.233 8.577 0.447 1.00 0.00 H new ATOM 0 HG22 VAL A 247 0.481 8.104 0.517 1.00 0.00 H new ATOM 0 HG23 VAL A 247 -0.633 7.605 1.812 1.00 0.00 H new ATOM 311 N ILE A 248 0.608 7.246 3.655 1.00 0.00 N ATOM 312 CA ILE A 248 0.206 6.245 4.629 1.00 0.00 C ATOM 313 C ILE A 248 1.339 5.923 5.604 1.00 0.00 C ATOM 314 O ILE A 248 1.090 5.525 6.741 1.00 0.00 O ATOM 315 CB ILE A 248 -0.262 4.953 3.927 1.00 0.00 C ATOM 316 CG1 ILE A 248 0.831 4.429 2.982 1.00 0.00 C ATOM 317 CG2 ILE A 248 -1.567 5.214 3.174 1.00 0.00 C ATOM 318 CD1 ILE A 248 0.306 3.843 1.684 1.00 0.00 C ATOM 0 H ILE A 248 0.809 6.869 2.729 1.00 0.00 H new ATOM 0 HA ILE A 248 -0.625 6.663 5.196 1.00 0.00 H new ATOM 0 HB ILE A 248 -0.447 4.185 4.678 1.00 0.00 H new ATOM 0 HG12 ILE A 248 1.515 5.245 2.748 1.00 0.00 H new ATOM 0 HG13 ILE A 248 1.411 3.667 3.503 1.00 0.00 H new ATOM 0 HG21 ILE A 248 -1.892 4.298 2.681 1.00 0.00 H new ATOM 0 HG22 ILE A 248 -2.334 5.539 3.877 1.00 0.00 H new ATOM 0 HG23 ILE A 248 -1.407 5.991 2.427 1.00 0.00 H new ATOM 0 HD11 ILE A 248 1.142 3.497 1.076 1.00 0.00 H new ATOM 0 HD12 ILE A 248 -0.354 3.004 1.904 1.00 0.00 H new ATOM 0 HD13 ILE A 248 -0.248 4.607 1.138 1.00 0.00 H new ATOM 330 N GLN A 249 2.585 6.105 5.164 1.00 0.00 N ATOM 331 CA GLN A 249 3.741 5.836 6.022 1.00 0.00 C ATOM 332 C GLN A 249 3.689 6.713 7.263 1.00 0.00 C ATOM 333 O GLN A 249 3.491 6.224 8.375 1.00 0.00 O ATOM 334 CB GLN A 249 5.053 6.081 5.269 1.00 0.00 C ATOM 335 CG GLN A 249 6.233 6.407 6.173 1.00 0.00 C ATOM 336 CD GLN A 249 7.485 6.758 5.394 1.00 0.00 C ATOM 337 OE1 GLN A 249 8.369 5.923 5.207 1.00 0.00 O ATOM 338 NE2 GLN A 249 7.567 8.002 4.936 1.00 0.00 N ATOM 0 H GLN A 249 2.819 6.434 4.227 1.00 0.00 H new ATOM 0 HA GLN A 249 3.704 4.788 6.319 1.00 0.00 H new ATOM 0 HB2 GLN A 249 5.293 5.196 4.680 1.00 0.00 H new ATOM 0 HB3 GLN A 249 4.909 6.902 4.566 1.00 0.00 H new ATOM 0 HG2 GLN A 249 5.968 7.241 6.823 1.00 0.00 H new ATOM 0 HG3 GLN A 249 6.439 5.553 6.818 1.00 0.00 H new ATOM 0 HE21 GLN A 249 6.810 8.662 5.114 1.00 0.00 H new ATOM 0 HE22 GLN A 249 8.387 8.297 4.406 1.00 0.00 H new ATOM 347 N GLN A 250 3.849 8.016 7.062 1.00 0.00 N ATOM 348 CA GLN A 250 3.799 8.959 8.165 1.00 0.00 C ATOM 349 C GLN A 250 2.368 9.067 8.659 1.00 0.00 C ATOM 350 O GLN A 250 2.093 8.924 9.851 1.00 0.00 O ATOM 351 CB GLN A 250 4.315 10.330 7.724 1.00 0.00 C ATOM 352 CG GLN A 250 5.682 10.279 7.059 1.00 0.00 C ATOM 353 CD GLN A 250 6.066 11.597 6.416 1.00 0.00 C ATOM 354 OE1 GLN A 250 5.750 12.670 6.934 1.00 0.00 O ATOM 355 NE2 GLN A 250 6.751 11.525 5.281 1.00 0.00 N ATOM 0 H GLN A 250 4.014 8.439 6.149 1.00 0.00 H new ATOM 0 HA GLN A 250 4.438 8.603 8.973 1.00 0.00 H new ATOM 0 HB2 GLN A 250 3.599 10.773 7.032 1.00 0.00 H new ATOM 0 HB3 GLN A 250 4.367 10.987 8.593 1.00 0.00 H new ATOM 0 HG2 GLN A 250 6.433 10.008 7.801 1.00 0.00 H new ATOM 0 HG3 GLN A 250 5.685 9.495 6.302 1.00 0.00 H new ATOM 0 HE21 GLN A 250 6.992 10.615 4.887 1.00 0.00 H new ATOM 0 HE22 GLN A 250 7.037 12.379 4.803 1.00 0.00 H new ATOM 364 N ASN A 251 1.459 9.303 7.721 1.00 0.00 N ATOM 365 CA ASN A 251 0.042 9.404 8.024 1.00 0.00 C ATOM 366 C ASN A 251 -0.688 8.098 7.703 1.00 0.00 C ATOM 367 O ASN A 251 -1.509 8.062 6.785 1.00 0.00 O ATOM 368 CB ASN A 251 -0.585 10.559 7.241 1.00 0.00 C ATOM 369 CG ASN A 251 -1.084 11.667 8.148 1.00 0.00 C ATOM 370 OD1 ASN A 251 -2.279 11.957 8.191 1.00 0.00 O ATOM 371 ND2 ASN A 251 -0.168 12.293 8.876 1.00 0.00 N ATOM 0 H ASN A 251 1.685 9.429 6.734 1.00 0.00 H new ATOM 0 HA ASN A 251 -0.060 9.597 9.092 1.00 0.00 H new ATOM 0 HB2 ASN A 251 0.150 10.965 6.546 1.00 0.00 H new ATOM 0 HB3 ASN A 251 -1.414 10.181 6.643 1.00 0.00 H new ATOM 0 HD21 ASN A 251 -0.444 13.048 9.503 1.00 0.00 H new ATOM 0 HD22 ASN A 251 0.812 12.019 8.808 1.00 0.00 H new ATOM 378 N PRO A 252 -0.422 7.004 8.443 1.00 0.00 N ATOM 379 CA PRO A 252 -1.088 5.712 8.209 1.00 0.00 C ATOM 380 C PRO A 252 -2.520 5.692 8.740 1.00 0.00 C ATOM 381 O PRO A 252 -3.019 4.649 9.164 1.00 0.00 O ATOM 382 CB PRO A 252 -0.229 4.736 9.009 1.00 0.00 C ATOM 383 CG PRO A 252 0.290 5.555 10.137 1.00 0.00 C ATOM 384 CD PRO A 252 0.532 6.927 9.565 1.00 0.00 C ATOM 0 HA PRO A 252 -1.168 5.480 7.147 1.00 0.00 H new ATOM 0 HB2 PRO A 252 -0.815 3.889 9.367 1.00 0.00 H new ATOM 0 HB3 PRO A 252 0.582 4.330 8.404 1.00 0.00 H new ATOM 0 HG2 PRO A 252 -0.428 5.593 10.956 1.00 0.00 H new ATOM 0 HG3 PRO A 252 1.210 5.130 10.539 1.00 0.00 H new ATOM 0 HD2 PRO A 252 0.348 7.708 10.303 1.00 0.00 H new ATOM 0 HD3 PRO A 252 1.561 7.045 9.226 1.00 0.00 H new ATOM 392 N ALA A 253 -3.171 6.849 8.725 1.00 0.00 N ATOM 393 CA ALA A 253 -4.539 6.965 9.217 1.00 0.00 C ATOM 394 C ALA A 253 -5.554 6.589 8.147 1.00 0.00 C ATOM 395 O ALA A 253 -6.524 5.881 8.416 1.00 0.00 O ATOM 396 CB ALA A 253 -4.813 8.372 9.726 1.00 0.00 C ATOM 0 H ALA A 253 -2.773 7.721 8.377 1.00 0.00 H new ATOM 0 HA ALA A 253 -4.646 6.263 10.044 1.00 0.00 H new ATOM 0 HB1 ALA A 253 -5.839 8.435 10.088 1.00 0.00 H new ATOM 0 HB2 ALA A 253 -4.126 8.605 10.540 1.00 0.00 H new ATOM 0 HB3 ALA A 253 -4.670 9.086 8.915 1.00 0.00 H new ATOM 402 N LEU A 254 -5.334 7.085 6.937 1.00 0.00 N ATOM 403 CA LEU A 254 -6.240 6.821 5.828 1.00 0.00 C ATOM 404 C LEU A 254 -6.052 5.417 5.266 1.00 0.00 C ATOM 405 O LEU A 254 -6.912 4.914 4.544 1.00 0.00 O ATOM 406 CB LEU A 254 -6.033 7.855 4.719 1.00 0.00 C ATOM 407 CG LEU A 254 -5.888 9.299 5.201 1.00 0.00 C ATOM 408 CD1 LEU A 254 -6.226 10.270 4.081 1.00 0.00 C ATOM 409 CD2 LEU A 254 -6.774 9.548 6.411 1.00 0.00 C ATOM 0 H LEU A 254 -4.535 7.673 6.699 1.00 0.00 H new ATOM 0 HA LEU A 254 -7.258 6.895 6.211 1.00 0.00 H new ATOM 0 HB2 LEU A 254 -5.141 7.585 4.153 1.00 0.00 H new ATOM 0 HB3 LEU A 254 -6.876 7.801 4.030 1.00 0.00 H new ATOM 0 HG LEU A 254 -4.851 9.462 5.496 1.00 0.00 H new ATOM 0 HD11 LEU A 254 -6.118 11.293 4.441 1.00 0.00 H new ATOM 0 HD12 LEU A 254 -5.550 10.107 3.242 1.00 0.00 H new ATOM 0 HD13 LEU A 254 -7.253 10.107 3.756 1.00 0.00 H new ATOM 0 HD21 LEU A 254 -6.658 10.581 6.741 1.00 0.00 H new ATOM 0 HD22 LEU A 254 -7.815 9.367 6.143 1.00 0.00 H new ATOM 0 HD23 LEU A 254 -6.485 8.875 7.218 1.00 0.00 H new ATOM 421 N LEU A 255 -4.923 4.789 5.582 1.00 0.00 N ATOM 422 CA LEU A 255 -4.648 3.449 5.077 1.00 0.00 C ATOM 423 C LEU A 255 -4.588 3.497 3.559 1.00 0.00 C ATOM 424 O LEU A 255 -5.486 4.041 2.925 1.00 0.00 O ATOM 425 CB LEU A 255 -5.746 2.476 5.539 1.00 0.00 C ATOM 426 CG LEU A 255 -5.721 1.065 4.925 1.00 0.00 C ATOM 427 CD1 LEU A 255 -5.957 1.111 3.422 1.00 0.00 C ATOM 428 CD2 LEU A 255 -4.412 0.362 5.241 1.00 0.00 C ATOM 0 H LEU A 255 -4.193 5.180 6.177 1.00 0.00 H new ATOM 0 HA LEU A 255 -3.693 3.097 5.467 1.00 0.00 H new ATOM 0 HB2 LEU A 255 -5.679 2.377 6.622 1.00 0.00 H new ATOM 0 HB3 LEU A 255 -6.714 2.926 5.319 1.00 0.00 H new ATOM 0 HG LEU A 255 -6.534 0.494 5.373 1.00 0.00 H new ATOM 0 HD11 LEU A 255 -5.933 0.099 3.019 1.00 0.00 H new ATOM 0 HD12 LEU A 255 -6.930 1.559 3.220 1.00 0.00 H new ATOM 0 HD13 LEU A 255 -5.177 1.708 2.949 1.00 0.00 H new ATOM 0 HD21 LEU A 255 -4.417 -0.633 4.797 1.00 0.00 H new ATOM 0 HD22 LEU A 255 -3.582 0.938 4.832 1.00 0.00 H new ATOM 0 HD23 LEU A 255 -4.296 0.277 6.321 1.00 0.00 H new ATOM 440 N PRO A 256 -3.528 2.936 2.958 1.00 0.00 N ATOM 441 CA PRO A 256 -3.351 2.921 1.509 1.00 0.00 C ATOM 442 C PRO A 256 -4.651 2.630 0.766 1.00 0.00 C ATOM 443 O PRO A 256 -4.896 1.501 0.341 1.00 0.00 O ATOM 444 CB PRO A 256 -2.334 1.793 1.272 1.00 0.00 C ATOM 445 CG PRO A 256 -1.991 1.244 2.626 1.00 0.00 C ATOM 446 CD PRO A 256 -2.412 2.277 3.634 1.00 0.00 C ATOM 0 HA PRO A 256 -3.020 3.891 1.137 1.00 0.00 H new ATOM 0 HB2 PRO A 256 -2.756 1.017 0.633 1.00 0.00 H new ATOM 0 HB3 PRO A 256 -1.444 2.171 0.769 1.00 0.00 H new ATOM 0 HG2 PRO A 256 -2.506 0.300 2.802 1.00 0.00 H new ATOM 0 HG3 PRO A 256 -0.922 1.043 2.702 1.00 0.00 H new ATOM 0 HD2 PRO A 256 -2.718 1.824 4.577 1.00 0.00 H new ATOM 0 HD3 PRO A 256 -1.606 2.974 3.862 1.00 0.00 H new ATOM 454 N ALA A 257 -5.477 3.658 0.611 1.00 0.00 N ATOM 455 CA ALA A 257 -6.746 3.521 -0.082 1.00 0.00 C ATOM 456 C ALA A 257 -6.509 3.442 -1.577 1.00 0.00 C ATOM 457 O ALA A 257 -7.300 2.857 -2.320 1.00 0.00 O ATOM 458 CB ALA A 257 -7.680 4.676 0.249 1.00 0.00 C ATOM 0 H ALA A 257 -5.287 4.598 0.959 1.00 0.00 H new ATOM 0 HA ALA A 257 -7.224 2.601 0.253 1.00 0.00 H new ATOM 0 HB1 ALA A 257 -8.622 4.546 -0.284 1.00 0.00 H new ATOM 0 HB2 ALA A 257 -7.870 4.694 1.322 1.00 0.00 H new ATOM 0 HB3 ALA A 257 -7.218 5.616 -0.054 1.00 0.00 H new ATOM 464 N LEU A 258 -5.402 4.031 -2.012 1.00 0.00 N ATOM 465 CA LEU A 258 -5.046 4.024 -3.416 1.00 0.00 C ATOM 466 C LEU A 258 -5.245 2.630 -3.994 1.00 0.00 C ATOM 467 O LEU A 258 -5.599 2.468 -5.163 1.00 0.00 O ATOM 468 CB LEU A 258 -3.601 4.480 -3.603 1.00 0.00 C ATOM 469 CG LEU A 258 -3.368 5.975 -3.374 1.00 0.00 C ATOM 470 CD1 LEU A 258 -4.394 6.799 -4.139 1.00 0.00 C ATOM 471 CD2 LEU A 258 -3.421 6.300 -1.887 1.00 0.00 C ATOM 0 H LEU A 258 -4.739 4.518 -1.409 1.00 0.00 H new ATOM 0 HA LEU A 258 -5.694 4.721 -3.947 1.00 0.00 H new ATOM 0 HB2 LEU A 258 -2.965 3.918 -2.919 1.00 0.00 H new ATOM 0 HB3 LEU A 258 -3.282 4.227 -4.614 1.00 0.00 H new ATOM 0 HG LEU A 258 -2.376 6.231 -3.747 1.00 0.00 H new ATOM 0 HD11 LEU A 258 -4.213 7.859 -3.964 1.00 0.00 H new ATOM 0 HD12 LEU A 258 -4.309 6.587 -5.205 1.00 0.00 H new ATOM 0 HD13 LEU A 258 -5.396 6.541 -3.797 1.00 0.00 H new ATOM 0 HD21 LEU A 258 -3.253 7.367 -1.742 1.00 0.00 H new ATOM 0 HD22 LEU A 258 -4.399 6.029 -1.490 1.00 0.00 H new ATOM 0 HD23 LEU A 258 -2.648 5.737 -1.364 1.00 0.00 H new ATOM 483 N LEU A 259 -5.032 1.625 -3.152 1.00 0.00 N ATOM 484 CA LEU A 259 -5.199 0.236 -3.552 1.00 0.00 C ATOM 485 C LEU A 259 -6.673 -0.063 -3.791 1.00 0.00 C ATOM 486 O LEU A 259 -7.031 -0.778 -4.726 1.00 0.00 O ATOM 487 CB LEU A 259 -4.644 -0.695 -2.472 1.00 0.00 C ATOM 488 CG LEU A 259 -4.364 -2.130 -2.921 1.00 0.00 C ATOM 489 CD1 LEU A 259 -4.591 -3.098 -1.769 1.00 0.00 C ATOM 490 CD2 LEU A 259 -5.235 -2.505 -4.111 1.00 0.00 C ATOM 0 H LEU A 259 -4.741 1.750 -2.182 1.00 0.00 H new ATOM 0 HA LEU A 259 -4.648 0.068 -4.477 1.00 0.00 H new ATOM 0 HB2 LEU A 259 -3.719 -0.266 -2.087 1.00 0.00 H new ATOM 0 HB3 LEU A 259 -5.351 -0.723 -1.643 1.00 0.00 H new ATOM 0 HG LEU A 259 -3.321 -2.194 -3.231 1.00 0.00 H new ATOM 0 HD11 LEU A 259 -4.388 -4.115 -2.103 1.00 0.00 H new ATOM 0 HD12 LEU A 259 -3.923 -2.846 -0.945 1.00 0.00 H new ATOM 0 HD13 LEU A 259 -5.625 -3.026 -1.432 1.00 0.00 H new ATOM 0 HD21 LEU A 259 -5.018 -3.530 -4.412 1.00 0.00 H new ATOM 0 HD22 LEU A 259 -6.286 -2.423 -3.833 1.00 0.00 H new ATOM 0 HD23 LEU A 259 -5.026 -1.831 -4.942 1.00 0.00 H new ATOM 502 N GLN A 260 -7.524 0.498 -2.938 1.00 0.00 N ATOM 503 CA GLN A 260 -8.963 0.301 -3.056 1.00 0.00 C ATOM 504 C GLN A 260 -9.462 0.802 -4.404 1.00 0.00 C ATOM 505 O GLN A 260 -10.255 0.138 -5.069 1.00 0.00 O ATOM 506 CB GLN A 260 -9.695 1.027 -1.925 1.00 0.00 C ATOM 507 CG GLN A 260 -10.645 0.134 -1.144 1.00 0.00 C ATOM 508 CD GLN A 260 -11.105 0.767 0.153 1.00 0.00 C ATOM 509 OE1 GLN A 260 -11.082 0.134 1.209 1.00 0.00 O ATOM 510 NE2 GLN A 260 -11.528 2.023 0.081 1.00 0.00 N ATOM 0 H GLN A 260 -7.242 1.092 -2.158 1.00 0.00 H new ATOM 0 HA GLN A 260 -9.169 -0.767 -2.981 1.00 0.00 H new ATOM 0 HB2 GLN A 260 -8.960 1.449 -1.240 1.00 0.00 H new ATOM 0 HB3 GLN A 260 -10.256 1.862 -2.344 1.00 0.00 H new ATOM 0 HG2 GLN A 260 -11.514 -0.094 -1.761 1.00 0.00 H new ATOM 0 HG3 GLN A 260 -10.151 -0.813 -0.927 1.00 0.00 H new ATOM 0 HE21 GLN A 260 -11.530 2.510 -0.815 1.00 0.00 H new ATOM 0 HE22 GLN A 260 -11.851 2.501 0.922 1.00 0.00 H new ATOM 519 N GLN A 261 -8.982 1.975 -4.808 1.00 0.00 N ATOM 520 CA GLN A 261 -9.373 2.560 -6.083 1.00 0.00 C ATOM 521 C GLN A 261 -8.825 1.728 -7.234 1.00 0.00 C ATOM 522 O GLN A 261 -9.451 1.611 -8.289 1.00 0.00 O ATOM 523 CB GLN A 261 -8.866 3.999 -6.189 1.00 0.00 C ATOM 524 CG GLN A 261 -9.582 4.967 -5.261 1.00 0.00 C ATOM 525 CD GLN A 261 -9.383 6.416 -5.663 1.00 0.00 C ATOM 526 OE1 GLN A 261 -8.916 7.233 -4.870 1.00 0.00 O ATOM 527 NE2 GLN A 261 -9.738 6.741 -6.900 1.00 0.00 N ATOM 0 H GLN A 261 -8.322 2.537 -4.270 1.00 0.00 H new ATOM 0 HA GLN A 261 -10.461 2.568 -6.140 1.00 0.00 H new ATOM 0 HB2 GLN A 261 -7.799 4.017 -5.966 1.00 0.00 H new ATOM 0 HB3 GLN A 261 -8.982 4.341 -7.217 1.00 0.00 H new ATOM 0 HG2 GLN A 261 -10.648 4.738 -5.256 1.00 0.00 H new ATOM 0 HG3 GLN A 261 -9.220 4.823 -4.243 1.00 0.00 H new ATOM 0 HE21 GLN A 261 -10.121 6.031 -7.524 1.00 0.00 H new ATOM 0 HE22 GLN A 261 -9.628 7.701 -7.227 1.00 0.00 H new ATOM 536 N LEU A 262 -7.650 1.147 -7.020 1.00 0.00 N ATOM 537 CA LEU A 262 -7.009 0.318 -8.032 1.00 0.00 C ATOM 538 C LEU A 262 -7.741 -1.013 -8.186 1.00 0.00 C ATOM 539 O LEU A 262 -8.085 -1.420 -9.295 1.00 0.00 O ATOM 540 CB LEU A 262 -5.544 0.071 -7.664 1.00 0.00 C ATOM 541 CG LEU A 262 -4.556 1.101 -8.213 1.00 0.00 C ATOM 542 CD1 LEU A 262 -5.012 2.512 -7.874 1.00 0.00 C ATOM 543 CD2 LEU A 262 -3.161 0.844 -7.666 1.00 0.00 C ATOM 0 H LEU A 262 -7.121 1.236 -6.152 1.00 0.00 H new ATOM 0 HA LEU A 262 -7.052 0.847 -8.984 1.00 0.00 H new ATOM 0 HB2 LEU A 262 -5.457 0.050 -6.578 1.00 0.00 H new ATOM 0 HB3 LEU A 262 -5.256 -0.916 -8.026 1.00 0.00 H new ATOM 0 HG LEU A 262 -4.523 1.003 -9.298 1.00 0.00 H new ATOM 0 HD11 LEU A 262 -4.297 3.231 -8.273 1.00 0.00 H new ATOM 0 HD12 LEU A 262 -5.992 2.693 -8.314 1.00 0.00 H new ATOM 0 HD13 LEU A 262 -5.074 2.624 -6.792 1.00 0.00 H new ATOM 0 HD21 LEU A 262 -2.471 1.586 -8.067 1.00 0.00 H new ATOM 0 HD22 LEU A 262 -3.178 0.914 -6.578 1.00 0.00 H new ATOM 0 HD23 LEU A 262 -2.833 -0.153 -7.960 1.00 0.00 H new ATOM 555 N GLY A 263 -7.978 -1.686 -7.063 1.00 0.00 N ATOM 556 CA GLY A 263 -8.669 -2.961 -7.094 1.00 0.00 C ATOM 557 C GLY A 263 -10.141 -2.809 -7.417 1.00 0.00 C ATOM 558 O GLY A 263 -10.760 -3.717 -7.970 1.00 0.00 O ATOM 0 H GLY A 263 -7.703 -1.370 -6.133 1.00 0.00 H new ATOM 0 HA2 GLY A 263 -8.201 -3.607 -7.837 1.00 0.00 H new ATOM 0 HA3 GLY A 263 -8.560 -3.454 -6.128 1.00 0.00 H new ATOM 562 N GLN A 264 -10.699 -1.652 -7.077 1.00 0.00 N ATOM 563 CA GLN A 264 -12.106 -1.377 -7.341 1.00 0.00 C ATOM 564 C GLN A 264 -12.289 -0.903 -8.777 1.00 0.00 C ATOM 565 O GLN A 264 -13.090 -1.457 -9.529 1.00 0.00 O ATOM 566 CB GLN A 264 -12.641 -0.322 -6.370 1.00 0.00 C ATOM 567 CG GLN A 264 -12.905 -0.860 -4.973 1.00 0.00 C ATOM 568 CD GLN A 264 -13.890 -0.008 -4.198 1.00 0.00 C ATOM 569 OE1 GLN A 264 -13.518 0.684 -3.249 1.00 0.00 O ATOM 570 NE2 GLN A 264 -15.156 -0.053 -4.597 1.00 0.00 N ATOM 0 H GLN A 264 -10.199 -0.890 -6.618 1.00 0.00 H new ATOM 0 HA GLN A 264 -12.669 -2.299 -7.197 1.00 0.00 H new ATOM 0 HB2 GLN A 264 -11.925 0.497 -6.306 1.00 0.00 H new ATOM 0 HB3 GLN A 264 -13.565 0.094 -6.771 1.00 0.00 H new ATOM 0 HG2 GLN A 264 -13.289 -1.878 -5.046 1.00 0.00 H new ATOM 0 HG3 GLN A 264 -11.965 -0.913 -4.424 1.00 0.00 H new ATOM 0 HE21 GLN A 264 -15.421 -0.640 -5.388 1.00 0.00 H new ATOM 0 HE22 GLN A 264 -15.863 0.499 -4.112 1.00 0.00 H new ATOM 579 N GLU A 265 -11.528 0.118 -9.152 1.00 0.00 N ATOM 580 CA GLU A 265 -11.594 0.662 -10.500 1.00 0.00 C ATOM 581 C GLU A 265 -11.746 -0.463 -11.514 1.00 0.00 C ATOM 582 O GLU A 265 -12.807 -0.634 -12.114 1.00 0.00 O ATOM 583 CB GLU A 265 -10.332 1.477 -10.800 1.00 0.00 C ATOM 584 CG GLU A 265 -10.009 1.591 -12.282 1.00 0.00 C ATOM 585 CD GLU A 265 -11.242 1.831 -13.131 1.00 0.00 C ATOM 586 OE1 GLU A 265 -11.697 2.993 -13.200 1.00 0.00 O ATOM 587 OE2 GLU A 265 -11.752 0.859 -13.726 1.00 0.00 O ATOM 0 H GLU A 265 -10.858 0.585 -8.541 1.00 0.00 H new ATOM 0 HA GLU A 265 -12.462 1.317 -10.573 1.00 0.00 H new ATOM 0 HB2 GLU A 265 -10.451 2.478 -10.386 1.00 0.00 H new ATOM 0 HB3 GLU A 265 -9.486 1.019 -10.288 1.00 0.00 H new ATOM 0 HG2 GLU A 265 -9.303 2.407 -12.434 1.00 0.00 H new ATOM 0 HG3 GLU A 265 -9.516 0.677 -12.614 1.00 0.00 H new ATOM 594 N ASN A 266 -10.680 -1.232 -11.695 1.00 0.00 N ATOM 595 CA ASN A 266 -10.696 -2.348 -12.627 1.00 0.00 C ATOM 596 C ASN A 266 -10.826 -3.668 -11.878 1.00 0.00 C ATOM 597 O ASN A 266 -9.866 -4.147 -11.275 1.00 0.00 O ATOM 598 CB ASN A 266 -9.426 -2.350 -13.479 1.00 0.00 C ATOM 599 CG ASN A 266 -9.715 -2.117 -14.949 1.00 0.00 C ATOM 600 OD1 ASN A 266 -10.729 -2.576 -15.474 1.00 0.00 O ATOM 601 ND2 ASN A 266 -8.822 -1.400 -15.620 1.00 0.00 N ATOM 0 H ASN A 266 -9.794 -1.102 -11.207 1.00 0.00 H new ATOM 0 HA ASN A 266 -11.559 -2.233 -13.284 1.00 0.00 H new ATOM 0 HB2 ASN A 266 -8.748 -1.576 -13.118 1.00 0.00 H new ATOM 0 HB3 ASN A 266 -8.913 -3.304 -13.359 1.00 0.00 H new ATOM 0 HD21 ASN A 266 -8.962 -1.210 -16.612 1.00 0.00 H new ATOM 0 HD22 ASN A 266 -7.995 -1.039 -15.143 1.00 0.00 H new ATOM 608 N PRO A 267 -12.018 -4.278 -11.909 1.00 0.00 N ATOM 609 CA PRO A 267 -12.267 -5.551 -11.231 1.00 0.00 C ATOM 610 C PRO A 267 -11.163 -6.566 -11.504 1.00 0.00 C ATOM 611 O PRO A 267 -10.957 -7.501 -10.730 1.00 0.00 O ATOM 612 CB PRO A 267 -13.589 -6.015 -11.839 1.00 0.00 C ATOM 613 CG PRO A 267 -14.290 -4.756 -12.219 1.00 0.00 C ATOM 614 CD PRO A 267 -13.214 -3.775 -12.608 1.00 0.00 C ATOM 0 HA PRO A 267 -12.297 -5.447 -10.146 1.00 0.00 H new ATOM 0 HB2 PRO A 267 -13.424 -6.654 -12.706 1.00 0.00 H new ATOM 0 HB3 PRO A 267 -14.173 -6.594 -11.123 1.00 0.00 H new ATOM 0 HG2 PRO A 267 -14.977 -4.928 -13.047 1.00 0.00 H new ATOM 0 HG3 PRO A 267 -14.882 -4.374 -11.387 1.00 0.00 H new ATOM 0 HD2 PRO A 267 -13.066 -3.749 -13.688 1.00 0.00 H new ATOM 0 HD3 PRO A 267 -13.464 -2.761 -12.296 1.00 0.00 H new ATOM 622 N GLN A 268 -10.455 -6.372 -12.611 1.00 0.00 N ATOM 623 CA GLN A 268 -9.367 -7.267 -12.993 1.00 0.00 C ATOM 624 C GLN A 268 -8.023 -6.726 -12.518 1.00 0.00 C ATOM 625 O GLN A 268 -7.020 -7.440 -12.518 1.00 0.00 O ATOM 626 CB GLN A 268 -9.346 -7.457 -14.510 1.00 0.00 C ATOM 627 CG GLN A 268 -10.657 -7.977 -15.078 1.00 0.00 C ATOM 628 CD GLN A 268 -10.456 -9.111 -16.063 1.00 0.00 C ATOM 629 OE1 GLN A 268 -11.146 -10.129 -16.005 1.00 0.00 O ATOM 630 NE2 GLN A 268 -9.507 -8.941 -16.976 1.00 0.00 N ATOM 0 H GLN A 268 -10.615 -5.602 -13.261 1.00 0.00 H new ATOM 0 HA GLN A 268 -9.538 -8.231 -12.514 1.00 0.00 H new ATOM 0 HB2 GLN A 268 -9.107 -6.505 -14.983 1.00 0.00 H new ATOM 0 HB3 GLN A 268 -8.547 -8.151 -14.770 1.00 0.00 H new ATOM 0 HG2 GLN A 268 -11.293 -8.319 -14.261 1.00 0.00 H new ATOM 0 HG3 GLN A 268 -11.184 -7.161 -15.572 1.00 0.00 H new ATOM 0 HE21 GLN A 268 -8.959 -8.081 -16.988 1.00 0.00 H new ATOM 0 HE22 GLN A 268 -9.326 -9.670 -17.666 1.00 0.00 H new ATOM 639 N LEU A 269 -8.006 -5.458 -12.119 1.00 0.00 N ATOM 640 CA LEU A 269 -6.780 -4.822 -11.648 1.00 0.00 C ATOM 641 C LEU A 269 -6.194 -5.577 -10.461 1.00 0.00 C ATOM 642 O LEU A 269 -4.979 -5.714 -10.342 1.00 0.00 O ATOM 643 CB LEU A 269 -7.042 -3.365 -11.262 1.00 0.00 C ATOM 644 CG LEU A 269 -5.847 -2.427 -11.451 1.00 0.00 C ATOM 645 CD1 LEU A 269 -5.989 -1.635 -12.742 1.00 0.00 C ATOM 646 CD2 LEU A 269 -5.710 -1.489 -10.262 1.00 0.00 C ATOM 0 H LEU A 269 -8.826 -4.851 -12.112 1.00 0.00 H new ATOM 0 HA LEU A 269 -6.058 -4.846 -12.464 1.00 0.00 H new ATOM 0 HB2 LEU A 269 -7.877 -2.991 -11.855 1.00 0.00 H new ATOM 0 HB3 LEU A 269 -7.352 -3.330 -10.218 1.00 0.00 H new ATOM 0 HG LEU A 269 -4.943 -3.032 -11.516 1.00 0.00 H new ATOM 0 HD11 LEU A 269 -5.131 -0.974 -12.859 1.00 0.00 H new ATOM 0 HD12 LEU A 269 -6.036 -2.322 -13.587 1.00 0.00 H new ATOM 0 HD13 LEU A 269 -6.902 -1.041 -12.706 1.00 0.00 H new ATOM 0 HD21 LEU A 269 -4.855 -0.830 -10.415 1.00 0.00 H new ATOM 0 HD22 LEU A 269 -6.616 -0.891 -10.164 1.00 0.00 H new ATOM 0 HD23 LEU A 269 -5.560 -2.073 -9.354 1.00 0.00 H new ATOM 658 N LEU A 270 -7.063 -6.068 -9.584 1.00 0.00 N ATOM 659 CA LEU A 270 -6.621 -6.810 -8.410 1.00 0.00 C ATOM 660 C LEU A 270 -6.050 -8.167 -8.813 1.00 0.00 C ATOM 661 O LEU A 270 -4.908 -8.496 -8.486 1.00 0.00 O ATOM 662 CB LEU A 270 -7.781 -7.002 -7.431 1.00 0.00 C ATOM 663 CG LEU A 270 -7.422 -7.739 -6.140 1.00 0.00 C ATOM 664 CD1 LEU A 270 -7.468 -6.789 -4.953 1.00 0.00 C ATOM 665 CD2 LEU A 270 -8.362 -8.915 -5.921 1.00 0.00 C ATOM 0 H LEU A 270 -8.075 -5.966 -9.664 1.00 0.00 H new ATOM 0 HA LEU A 270 -5.837 -6.233 -7.920 1.00 0.00 H new ATOM 0 HB2 LEU A 270 -8.184 -6.023 -7.173 1.00 0.00 H new ATOM 0 HB3 LEU A 270 -8.576 -7.551 -7.936 1.00 0.00 H new ATOM 0 HG LEU A 270 -6.406 -8.123 -6.232 1.00 0.00 H new ATOM 0 HD11 LEU A 270 -7.210 -7.331 -4.043 1.00 0.00 H new ATOM 0 HD12 LEU A 270 -6.755 -5.979 -5.108 1.00 0.00 H new ATOM 0 HD13 LEU A 270 -8.472 -6.376 -4.857 1.00 0.00 H new ATOM 0 HD21 LEU A 270 -8.093 -9.429 -4.998 1.00 0.00 H new ATOM 0 HD22 LEU A 270 -9.387 -8.553 -5.849 1.00 0.00 H new ATOM 0 HD23 LEU A 270 -8.280 -9.607 -6.759 1.00 0.00 H new ATOM 677 N GLN A 271 -6.853 -8.949 -9.529 1.00 0.00 N ATOM 678 CA GLN A 271 -6.427 -10.268 -9.980 1.00 0.00 C ATOM 679 C GLN A 271 -5.072 -10.190 -10.674 1.00 0.00 C ATOM 680 O GLN A 271 -4.192 -11.016 -10.436 1.00 0.00 O ATOM 681 CB GLN A 271 -7.464 -10.867 -10.930 1.00 0.00 C ATOM 682 CG GLN A 271 -8.879 -10.856 -10.375 1.00 0.00 C ATOM 683 CD GLN A 271 -9.834 -11.696 -11.200 1.00 0.00 C ATOM 684 OE1 GLN A 271 -9.509 -12.118 -12.310 1.00 0.00 O ATOM 685 NE2 GLN A 271 -11.023 -11.942 -10.661 1.00 0.00 N ATOM 0 H GLN A 271 -7.800 -8.692 -9.808 1.00 0.00 H new ATOM 0 HA GLN A 271 -6.334 -10.911 -9.105 1.00 0.00 H new ATOM 0 HB2 GLN A 271 -7.447 -10.313 -11.869 1.00 0.00 H new ATOM 0 HB3 GLN A 271 -7.182 -11.894 -11.161 1.00 0.00 H new ATOM 0 HG2 GLN A 271 -8.867 -11.227 -9.350 1.00 0.00 H new ATOM 0 HG3 GLN A 271 -9.243 -9.829 -10.338 1.00 0.00 H new ATOM 0 HE21 GLN A 271 -11.251 -11.573 -9.738 1.00 0.00 H new ATOM 0 HE22 GLN A 271 -11.708 -12.500 -11.170 1.00 0.00 H new ATOM 694 N GLN A 272 -4.914 -9.188 -11.534 1.00 0.00 N ATOM 695 CA GLN A 272 -3.667 -8.999 -12.262 1.00 0.00 C ATOM 696 C GLN A 272 -2.586 -8.432 -11.349 1.00 0.00 C ATOM 697 O GLN A 272 -1.441 -8.886 -11.372 1.00 0.00 O ATOM 698 CB GLN A 272 -3.888 -8.070 -13.457 1.00 0.00 C ATOM 699 CG GLN A 272 -4.943 -8.568 -14.432 1.00 0.00 C ATOM 700 CD GLN A 272 -5.046 -10.080 -14.457 1.00 0.00 C ATOM 701 OE1 GLN A 272 -4.073 -10.776 -14.748 1.00 0.00 O ATOM 702 NE2 GLN A 272 -6.231 -10.598 -14.155 1.00 0.00 N ATOM 0 H GLN A 272 -5.634 -8.496 -11.742 1.00 0.00 H new ATOM 0 HA GLN A 272 -3.333 -9.971 -12.625 1.00 0.00 H new ATOM 0 HB2 GLN A 272 -4.180 -7.086 -13.091 1.00 0.00 H new ATOM 0 HB3 GLN A 272 -2.945 -7.946 -13.989 1.00 0.00 H new ATOM 0 HG2 GLN A 272 -5.911 -8.146 -14.161 1.00 0.00 H new ATOM 0 HG3 GLN A 272 -4.707 -8.207 -15.433 1.00 0.00 H new ATOM 0 HE21 GLN A 272 -7.011 -9.984 -13.920 1.00 0.00 H new ATOM 0 HE22 GLN A 272 -6.361 -11.610 -14.158 1.00 0.00 H new ATOM 711 N ILE A 273 -2.955 -7.443 -10.541 1.00 0.00 N ATOM 712 CA ILE A 273 -2.013 -6.825 -9.617 1.00 0.00 C ATOM 713 C ILE A 273 -1.169 -7.896 -8.932 1.00 0.00 C ATOM 714 O ILE A 273 0.033 -7.721 -8.733 1.00 0.00 O ATOM 715 CB ILE A 273 -2.748 -5.965 -8.555 1.00 0.00 C ATOM 716 CG1 ILE A 273 -2.991 -4.554 -9.094 1.00 0.00 C ATOM 717 CG2 ILE A 273 -1.963 -5.898 -7.248 1.00 0.00 C ATOM 718 CD1 ILE A 273 -4.136 -3.837 -8.410 1.00 0.00 C ATOM 0 H ILE A 273 -3.897 -7.054 -10.508 1.00 0.00 H new ATOM 0 HA ILE A 273 -1.361 -6.167 -10.191 1.00 0.00 H new ATOM 0 HB ILE A 273 -3.706 -6.441 -8.347 1.00 0.00 H new ATOM 0 HG12 ILE A 273 -2.081 -3.966 -8.975 1.00 0.00 H new ATOM 0 HG13 ILE A 273 -3.195 -4.612 -10.163 1.00 0.00 H new ATOM 0 HG21 ILE A 273 -2.507 -5.288 -6.527 1.00 0.00 H new ATOM 0 HG22 ILE A 273 -1.835 -6.904 -6.848 1.00 0.00 H new ATOM 0 HG23 ILE A 273 -0.985 -5.454 -7.433 1.00 0.00 H new ATOM 0 HD11 ILE A 273 -4.252 -2.843 -8.841 1.00 0.00 H new ATOM 0 HD12 ILE A 273 -5.056 -4.404 -8.551 1.00 0.00 H new ATOM 0 HD13 ILE A 273 -3.925 -3.748 -7.344 1.00 0.00 H new ATOM 730 N SER A 274 -1.809 -9.007 -8.580 1.00 0.00 N ATOM 731 CA SER A 274 -1.116 -10.109 -7.925 1.00 0.00 C ATOM 732 C SER A 274 0.292 -10.268 -8.490 1.00 0.00 C ATOM 733 O SER A 274 1.214 -10.678 -7.786 1.00 0.00 O ATOM 734 CB SER A 274 -1.901 -11.409 -8.104 1.00 0.00 C ATOM 735 OG SER A 274 -1.197 -12.324 -8.925 1.00 0.00 O ATOM 0 H SER A 274 -2.804 -9.167 -8.737 1.00 0.00 H new ATOM 0 HA SER A 274 -1.041 -9.884 -6.861 1.00 0.00 H new ATOM 0 HB2 SER A 274 -2.089 -11.861 -7.130 1.00 0.00 H new ATOM 0 HB3 SER A 274 -2.873 -11.192 -8.547 1.00 0.00 H new ATOM 0 HG SER A 274 -1.721 -13.147 -9.021 1.00 0.00 H new ATOM 741 N ARG A 275 0.448 -9.935 -9.768 1.00 0.00 N ATOM 742 CA ARG A 275 1.740 -10.034 -10.435 1.00 0.00 C ATOM 743 C ARG A 275 2.812 -9.263 -9.668 1.00 0.00 C ATOM 744 O ARG A 275 3.861 -9.810 -9.329 1.00 0.00 O ATOM 745 CB ARG A 275 1.638 -9.498 -11.864 1.00 0.00 C ATOM 746 CG ARG A 275 2.882 -9.751 -12.701 1.00 0.00 C ATOM 747 CD ARG A 275 3.088 -11.235 -12.957 1.00 0.00 C ATOM 748 NE ARG A 275 3.059 -11.552 -14.382 1.00 0.00 N ATOM 749 CZ ARG A 275 4.103 -11.403 -15.191 1.00 0.00 C ATOM 750 NH1 ARG A 275 5.254 -10.947 -14.716 1.00 0.00 N ATOM 751 NH2 ARG A 275 3.998 -11.712 -16.477 1.00 0.00 N ATOM 0 H ARG A 275 -0.307 -9.594 -10.363 1.00 0.00 H new ATOM 0 HA ARG A 275 2.026 -11.085 -10.464 1.00 0.00 H new ATOM 0 HB2 ARG A 275 0.781 -9.958 -12.355 1.00 0.00 H new ATOM 0 HB3 ARG A 275 1.447 -8.425 -11.828 1.00 0.00 H new ATOM 0 HG2 ARG A 275 2.795 -9.225 -13.652 1.00 0.00 H new ATOM 0 HG3 ARG A 275 3.755 -9.344 -12.190 1.00 0.00 H new ATOM 0 HD2 ARG A 275 4.044 -11.547 -12.535 1.00 0.00 H new ATOM 0 HD3 ARG A 275 2.312 -11.803 -12.443 1.00 0.00 H new ATOM 0 HE ARG A 275 2.189 -11.908 -14.779 1.00 0.00 H new ATOM 0 HH11 ARG A 275 5.340 -10.710 -13.728 1.00 0.00 H new ATOM 0 HH12 ARG A 275 6.054 -10.834 -15.339 1.00 0.00 H new ATOM 0 HH21 ARG A 275 3.115 -12.065 -16.846 1.00 0.00 H new ATOM 0 HH22 ARG A 275 4.800 -11.597 -17.096 1.00 0.00 H new ATOM 765 N HIS A 276 2.538 -7.991 -9.399 1.00 0.00 N ATOM 766 CA HIS A 276 3.477 -7.143 -8.674 1.00 0.00 C ATOM 767 C HIS A 276 3.050 -6.975 -7.219 1.00 0.00 C ATOM 768 O HIS A 276 3.578 -6.124 -6.503 1.00 0.00 O ATOM 769 CB HIS A 276 3.585 -5.776 -9.349 1.00 0.00 C ATOM 770 CG HIS A 276 4.995 -5.306 -9.531 1.00 0.00 C ATOM 771 ND1 HIS A 276 5.688 -4.322 -8.910 1.00 0.00 N flip ATOM 772 CD2 HIS A 276 5.863 -5.865 -10.444 1.00 0.00 C flip ATOM 773 CE1 HIS A 276 6.948 -4.305 -9.455 1.00 0.00 C flip ATOM 774 NE2 HIS A 276 7.029 -5.246 -10.378 1.00 0.00 N flip ATOM 0 H HIS A 276 1.673 -7.525 -9.672 1.00 0.00 H new ATOM 0 HA HIS A 276 4.453 -7.627 -8.691 1.00 0.00 H new ATOM 0 HB2 HIS A 276 3.098 -5.822 -10.323 1.00 0.00 H new ATOM 0 HB3 HIS A 276 3.040 -5.043 -8.754 1.00 0.00 H new ATOM 0 HD2 HIS A 276 5.627 -6.682 -11.110 1.00 0.00 H new ATOM 0 HE1 HIS A 276 7.744 -3.631 -9.174 1.00 0.00 H new ATOM 0 HE2 HIS A 276 7.851 -5.459 -10.943 1.00 0.00 H new ATOM 783 N GLN A 277 2.089 -7.787 -6.790 1.00 0.00 N ATOM 784 CA GLN A 277 1.591 -7.723 -5.421 1.00 0.00 C ATOM 785 C GLN A 277 2.743 -7.695 -4.422 1.00 0.00 C ATOM 786 O GLN A 277 2.752 -6.889 -3.492 1.00 0.00 O ATOM 787 CB GLN A 277 0.678 -8.916 -5.131 1.00 0.00 C ATOM 788 CG GLN A 277 -0.719 -8.517 -4.684 1.00 0.00 C ATOM 789 CD GLN A 277 -0.925 -8.690 -3.191 1.00 0.00 C ATOM 790 OE1 GLN A 277 -1.377 -7.774 -2.504 1.00 0.00 O ATOM 791 NE2 GLN A 277 -0.591 -9.870 -2.681 1.00 0.00 N ATOM 0 H GLN A 277 1.640 -8.496 -7.370 1.00 0.00 H new ATOM 0 HA GLN A 277 1.019 -6.802 -5.313 1.00 0.00 H new ATOM 0 HB2 GLN A 277 0.602 -9.531 -6.027 1.00 0.00 H new ATOM 0 HB3 GLN A 277 1.135 -9.534 -4.358 1.00 0.00 H new ATOM 0 HG2 GLN A 277 -0.900 -7.476 -4.954 1.00 0.00 H new ATOM 0 HG3 GLN A 277 -1.454 -9.118 -5.220 1.00 0.00 H new ATOM 0 HE21 GLN A 277 -0.220 -10.601 -3.288 1.00 0.00 H new ATOM 0 HE22 GLN A 277 -0.706 -10.045 -1.683 1.00 0.00 H new ATOM 800 N GLU A 278 3.717 -8.579 -4.621 1.00 0.00 N ATOM 801 CA GLU A 278 4.872 -8.653 -3.737 1.00 0.00 C ATOM 802 C GLU A 278 5.648 -7.339 -3.746 1.00 0.00 C ATOM 803 O GLU A 278 6.018 -6.818 -2.694 1.00 0.00 O ATOM 804 CB GLU A 278 5.789 -9.803 -4.158 1.00 0.00 C ATOM 805 CG GLU A 278 7.207 -9.679 -3.627 1.00 0.00 C ATOM 806 CD GLU A 278 7.300 -9.960 -2.140 1.00 0.00 C ATOM 807 OE1 GLU A 278 6.632 -10.906 -1.673 1.00 0.00 O ATOM 808 OE2 GLU A 278 8.040 -9.234 -1.444 1.00 0.00 O ATOM 0 H GLU A 278 3.728 -9.253 -5.387 1.00 0.00 H new ATOM 0 HA GLU A 278 4.513 -8.836 -2.724 1.00 0.00 H new ATOM 0 HB2 GLU A 278 5.361 -10.743 -3.810 1.00 0.00 H new ATOM 0 HB3 GLU A 278 5.821 -9.851 -5.246 1.00 0.00 H new ATOM 0 HG2 GLU A 278 7.854 -10.372 -4.165 1.00 0.00 H new ATOM 0 HG3 GLU A 278 7.579 -8.674 -3.827 1.00 0.00 H new ATOM 815 N GLN A 279 5.888 -6.809 -4.941 1.00 0.00 N ATOM 816 CA GLN A 279 6.618 -5.556 -5.089 1.00 0.00 C ATOM 817 C GLN A 279 5.822 -4.392 -4.509 1.00 0.00 C ATOM 818 O GLN A 279 6.283 -3.703 -3.598 1.00 0.00 O ATOM 819 CB GLN A 279 6.929 -5.291 -6.564 1.00 0.00 C ATOM 820 CG GLN A 279 8.384 -5.528 -6.932 1.00 0.00 C ATOM 821 CD GLN A 279 8.621 -6.913 -7.503 1.00 0.00 C ATOM 822 OE1 GLN A 279 7.802 -7.435 -8.259 1.00 0.00 O ATOM 823 NE2 GLN A 279 9.748 -7.516 -7.142 1.00 0.00 N ATOM 0 H GLN A 279 5.587 -7.228 -5.821 1.00 0.00 H new ATOM 0 HA GLN A 279 7.555 -5.644 -4.538 1.00 0.00 H new ATOM 0 HB2 GLN A 279 6.298 -5.932 -7.180 1.00 0.00 H new ATOM 0 HB3 GLN A 279 6.666 -4.260 -6.802 1.00 0.00 H new ATOM 0 HG2 GLN A 279 8.698 -4.780 -7.660 1.00 0.00 H new ATOM 0 HG3 GLN A 279 9.006 -5.392 -6.047 1.00 0.00 H new ATOM 0 HE21 GLN A 279 10.399 -7.046 -6.513 1.00 0.00 H new ATOM 0 HE22 GLN A 279 9.963 -8.449 -7.494 1.00 0.00 H new ATOM 832 N PHE A 280 4.620 -4.180 -5.039 1.00 0.00 N ATOM 833 CA PHE A 280 3.761 -3.099 -4.569 1.00 0.00 C ATOM 834 C PHE A 280 3.785 -3.020 -3.046 1.00 0.00 C ATOM 835 O PHE A 280 4.068 -1.967 -2.472 1.00 0.00 O ATOM 836 CB PHE A 280 2.328 -3.303 -5.063 1.00 0.00 C ATOM 837 CG PHE A 280 1.576 -2.017 -5.255 1.00 0.00 C ATOM 838 CD1 PHE A 280 2.104 -1.002 -6.038 1.00 0.00 C ATOM 839 CD2 PHE A 280 0.344 -1.821 -4.651 1.00 0.00 C ATOM 840 CE1 PHE A 280 1.417 0.183 -6.216 1.00 0.00 C ATOM 841 CE2 PHE A 280 -0.348 -0.638 -4.826 1.00 0.00 C ATOM 842 CZ PHE A 280 0.189 0.366 -5.610 1.00 0.00 C ATOM 0 H PHE A 280 4.221 -4.741 -5.792 1.00 0.00 H new ATOM 0 HA PHE A 280 4.140 -2.160 -4.972 1.00 0.00 H new ATOM 0 HB2 PHE A 280 2.351 -3.847 -6.007 1.00 0.00 H new ATOM 0 HB3 PHE A 280 1.790 -3.927 -4.349 1.00 0.00 H new ATOM 0 HD1 PHE A 280 3.064 -1.139 -6.514 1.00 0.00 H new ATOM 0 HD2 PHE A 280 -0.080 -2.602 -4.037 1.00 0.00 H new ATOM 0 HE1 PHE A 280 1.839 0.966 -6.828 1.00 0.00 H new ATOM 0 HE2 PHE A 280 -1.308 -0.498 -4.351 1.00 0.00 H new ATOM 0 HZ PHE A 280 -0.350 1.291 -5.748 1.00 0.00 H new ATOM 852 N ILE A 281 3.499 -4.143 -2.397 1.00 0.00 N ATOM 853 CA ILE A 281 3.501 -4.199 -0.942 1.00 0.00 C ATOM 854 C ILE A 281 4.913 -4.008 -0.409 1.00 0.00 C ATOM 855 O ILE A 281 5.109 -3.525 0.708 1.00 0.00 O ATOM 856 CB ILE A 281 2.939 -5.536 -0.423 1.00 0.00 C ATOM 857 CG1 ILE A 281 1.607 -5.855 -1.105 1.00 0.00 C ATOM 858 CG2 ILE A 281 2.768 -5.485 1.088 1.00 0.00 C ATOM 859 CD1 ILE A 281 1.206 -7.310 -0.995 1.00 0.00 C ATOM 0 H ILE A 281 3.264 -5.024 -2.855 1.00 0.00 H new ATOM 0 HA ILE A 281 2.858 -3.394 -0.585 1.00 0.00 H new ATOM 0 HB ILE A 281 3.647 -6.329 -0.664 1.00 0.00 H new ATOM 0 HG12 ILE A 281 0.825 -5.236 -0.664 1.00 0.00 H new ATOM 0 HG13 ILE A 281 1.673 -5.583 -2.158 1.00 0.00 H new ATOM 0 HG21 ILE A 281 2.370 -6.436 1.441 1.00 0.00 H new ATOM 0 HG22 ILE A 281 3.734 -5.299 1.557 1.00 0.00 H new ATOM 0 HG23 ILE A 281 2.077 -4.683 1.349 1.00 0.00 H new ATOM 0 HD11 ILE A 281 0.253 -7.464 -1.500 1.00 0.00 H new ATOM 0 HD12 ILE A 281 1.969 -7.934 -1.461 1.00 0.00 H new ATOM 0 HD13 ILE A 281 1.108 -7.582 0.056 1.00 0.00 H new ATOM 871 N GLN A 282 5.896 -4.380 -1.222 1.00 0.00 N ATOM 872 CA GLN A 282 7.295 -4.238 -0.841 1.00 0.00 C ATOM 873 C GLN A 282 7.587 -2.796 -0.449 1.00 0.00 C ATOM 874 O GLN A 282 8.194 -2.533 0.589 1.00 0.00 O ATOM 875 CB GLN A 282 8.210 -4.665 -1.991 1.00 0.00 C ATOM 876 CG GLN A 282 9.504 -5.316 -1.530 1.00 0.00 C ATOM 877 CD GLN A 282 10.722 -4.459 -1.817 1.00 0.00 C ATOM 878 OE1 GLN A 282 11.368 -3.952 -0.899 1.00 0.00 O ATOM 879 NE2 GLN A 282 11.042 -4.293 -3.095 1.00 0.00 N ATOM 0 H GLN A 282 5.749 -4.782 -2.148 1.00 0.00 H new ATOM 0 HA GLN A 282 7.488 -4.884 0.015 1.00 0.00 H new ATOM 0 HB2 GLN A 282 7.671 -5.362 -2.633 1.00 0.00 H new ATOM 0 HB3 GLN A 282 8.449 -3.792 -2.598 1.00 0.00 H new ATOM 0 HG2 GLN A 282 9.446 -5.512 -0.459 1.00 0.00 H new ATOM 0 HG3 GLN A 282 9.618 -6.280 -2.025 1.00 0.00 H new ATOM 0 HE21 GLN A 282 10.478 -4.732 -3.823 1.00 0.00 H new ATOM 0 HE22 GLN A 282 11.852 -3.727 -3.349 1.00 0.00 H new ATOM 888 N MET A 283 7.137 -1.864 -1.284 1.00 0.00 N ATOM 889 CA MET A 283 7.333 -0.445 -1.021 1.00 0.00 C ATOM 890 C MET A 283 6.399 0.017 0.091 1.00 0.00 C ATOM 891 O MET A 283 6.766 0.844 0.923 1.00 0.00 O ATOM 892 CB MET A 283 7.082 0.373 -2.289 1.00 0.00 C ATOM 893 CG MET A 283 8.037 0.045 -3.425 1.00 0.00 C ATOM 894 SD MET A 283 7.230 -0.829 -4.780 1.00 0.00 S ATOM 895 CE MET A 283 8.510 -1.993 -5.241 1.00 0.00 C ATOM 0 H MET A 283 6.634 -2.067 -2.148 1.00 0.00 H new ATOM 0 HA MET A 283 8.365 -0.291 -0.704 1.00 0.00 H new ATOM 0 HB2 MET A 283 6.059 0.202 -2.625 1.00 0.00 H new ATOM 0 HB3 MET A 283 7.166 1.433 -2.050 1.00 0.00 H new ATOM 0 HG2 MET A 283 8.476 0.968 -3.803 1.00 0.00 H new ATOM 0 HG3 MET A 283 8.856 -0.564 -3.042 1.00 0.00 H new ATOM 0 HE1 MET A 283 8.444 -2.203 -6.309 1.00 0.00 H new ATOM 0 HE2 MET A 283 9.488 -1.567 -5.015 1.00 0.00 H new ATOM 0 HE3 MET A 283 8.379 -2.919 -4.681 1.00 0.00 H new ATOM 905 N LEU A 284 5.192 -0.540 0.104 1.00 0.00 N ATOM 906 CA LEU A 284 4.205 -0.203 1.118 1.00 0.00 C ATOM 907 C LEU A 284 4.764 -0.502 2.500 1.00 0.00 C ATOM 908 O LEU A 284 4.377 0.118 3.491 1.00 0.00 O ATOM 909 CB LEU A 284 2.914 -0.990 0.889 1.00 0.00 C ATOM 910 CG LEU A 284 1.635 -0.265 1.308 1.00 0.00 C ATOM 911 CD1 LEU A 284 1.825 0.412 2.654 1.00 0.00 C ATOM 912 CD2 LEU A 284 1.228 0.750 0.250 1.00 0.00 C ATOM 0 H LEU A 284 4.876 -1.228 -0.579 1.00 0.00 H new ATOM 0 HA LEU A 284 3.977 0.861 1.048 1.00 0.00 H new ATOM 0 HB2 LEU A 284 2.842 -1.241 -0.169 1.00 0.00 H new ATOM 0 HB3 LEU A 284 2.977 -1.930 1.436 1.00 0.00 H new ATOM 0 HG LEU A 284 0.836 -1.000 1.404 1.00 0.00 H new ATOM 0 HD11 LEU A 284 0.905 0.923 2.937 1.00 0.00 H new ATOM 0 HD12 LEU A 284 2.070 -0.337 3.407 1.00 0.00 H new ATOM 0 HD13 LEU A 284 2.636 1.137 2.586 1.00 0.00 H new ATOM 0 HD21 LEU A 284 0.316 1.257 0.564 1.00 0.00 H new ATOM 0 HD22 LEU A 284 2.025 1.483 0.123 1.00 0.00 H new ATOM 0 HD23 LEU A 284 1.051 0.238 -0.696 1.00 0.00 H new ATOM 924 N ASN A 285 5.691 -1.452 2.550 1.00 0.00 N ATOM 925 CA ASN A 285 6.328 -1.836 3.800 1.00 0.00 C ATOM 926 C ASN A 285 7.586 -1.007 4.021 1.00 0.00 C ATOM 927 O ASN A 285 8.606 -1.518 4.487 1.00 0.00 O ATOM 928 CB ASN A 285 6.676 -3.326 3.785 1.00 0.00 C ATOM 929 CG ASN A 285 5.539 -4.190 4.294 1.00 0.00 C ATOM 930 OD1 ASN A 285 4.948 -4.966 3.541 1.00 0.00 O ATOM 931 ND2 ASN A 285 5.226 -4.061 5.578 1.00 0.00 N ATOM 0 H ASN A 285 6.018 -1.971 1.735 1.00 0.00 H new ATOM 0 HA ASN A 285 5.632 -1.649 4.618 1.00 0.00 H new ATOM 0 HB2 ASN A 285 6.930 -3.627 2.769 1.00 0.00 H new ATOM 0 HB3 ASN A 285 7.561 -3.496 4.399 1.00 0.00 H new ATOM 0 HD21 ASN A 285 4.470 -4.617 5.977 1.00 0.00 H new ATOM 0 HD22 ASN A 285 5.742 -3.406 6.165 1.00 0.00 H new ATOM 938 N GLU A 286 7.499 0.276 3.671 1.00 0.00 N ATOM 939 CA GLU A 286 8.620 1.205 3.810 1.00 0.00 C ATOM 940 C GLU A 286 9.560 0.782 4.937 1.00 0.00 C ATOM 941 O GLU A 286 9.134 0.590 6.076 1.00 0.00 O ATOM 942 CB GLU A 286 8.100 2.615 4.090 1.00 0.00 C ATOM 943 CG GLU A 286 7.545 2.791 5.494 1.00 0.00 C ATOM 944 CD GLU A 286 6.348 1.901 5.762 1.00 0.00 C ATOM 945 OE1 GLU A 286 5.240 2.239 5.294 1.00 0.00 O ATOM 946 OE2 GLU A 286 6.518 0.865 6.440 1.00 0.00 O ATOM 0 H GLU A 286 6.655 0.699 3.285 1.00 0.00 H new ATOM 0 HA GLU A 286 9.177 1.193 2.873 1.00 0.00 H new ATOM 0 HB2 GLU A 286 8.909 3.329 3.936 1.00 0.00 H new ATOM 0 HB3 GLU A 286 7.320 2.856 3.367 1.00 0.00 H new ATOM 0 HG2 GLU A 286 8.327 2.571 6.220 1.00 0.00 H new ATOM 0 HG3 GLU A 286 7.259 3.833 5.640 1.00 0.00 H new