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 240 GLN : amide:sc= -8.68! C(o=-17!,f=-22!) USER MOD Set 1.2: A 283 MET CE :methyl -137:sc= -8.66! (180deg=-12.3!) USER MOD Single : A 238 GLN : amide:sc= -1.17 K(o=-1.2,f=-5.8!) USER MOD Single : A 242 GLN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 243 ASN : amide:sc= -1.37 K(o=-1.4,f=-3!) USER MOD Single : A 244 MET CE :methyl 169:sc= -4.59! (180deg=-5.61!) USER MOD Single : A 246 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 249 GLN : amide:sc= -0.375 K(o=-0.38,f=-4.8!) USER MOD Single : A 250 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 251 ASN : amide:sc= -0.059 X(o=-0.059,f=-0.29) USER MOD Single : A 260 GLN : amide:sc= -0.858! C(o=-0.86!,f=-0.86!) USER MOD Single : A 261 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 264 GLN : amide:sc= -3.91! C(o=-3.9!,f=-3.1!) USER MOD Single : A 266 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 268 GLN : amide:sc= -0.0101 X(o=-0.01,f=-0.14) USER MOD Single : A 271 GLN : amide:sc= -0.0918 X(o=-0.092,f=-0.34) USER MOD Single : A 272 GLN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 274 SER OG : rot 180:sc= 0 USER MOD Single : A 276 HIS : no HE2:sc= -3.36! C(o=-3.4!,f=-3.8!) USER MOD Single : A 277 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 279 GLN : amide:sc= -0.112 X(o=-0.11,f=-0.14) USER MOD Single : A 282 GLN : amide:sc= -0.257 K(o=-0.26,f=-2!) USER MOD Single : A 285 ASN : amide:sc= -4.09! C(o=-4.1!,f=-11!) USER MOD ----------------------------------------------------------------- ATOM 29 N LEU A 232 -0.247 -3.775 -13.124 1.00 0.00 N ATOM 30 CA LEU A 232 0.484 -2.726 -12.423 1.00 0.00 C ATOM 31 C LEU A 232 1.491 -2.061 -13.352 1.00 0.00 C ATOM 32 O LEU A 232 2.429 -1.406 -12.902 1.00 0.00 O ATOM 33 CB LEU A 232 1.197 -3.291 -11.191 1.00 0.00 C ATOM 34 CG LEU A 232 0.274 -3.863 -10.115 1.00 0.00 C ATOM 35 CD1 LEU A 232 1.031 -4.823 -9.214 1.00 0.00 C ATOM 36 CD2 LEU A 232 -0.350 -2.743 -9.297 1.00 0.00 C ATOM 0 HA LEU A 232 -0.235 -1.976 -12.094 1.00 0.00 H new ATOM 0 HB2 LEU A 232 1.882 -4.074 -11.514 1.00 0.00 H new ATOM 0 HB3 LEU A 232 1.803 -2.501 -10.746 1.00 0.00 H new ATOM 0 HG LEU A 232 -0.525 -4.416 -10.609 1.00 0.00 H new ATOM 0 HD11 LEU A 232 0.356 -5.219 -8.455 1.00 0.00 H new ATOM 0 HD12 LEU A 232 1.429 -5.644 -9.810 1.00 0.00 H new ATOM 0 HD13 LEU A 232 1.853 -4.296 -8.729 1.00 0.00 H new ATOM 0 HD21 LEU A 232 -1.004 -3.169 -8.536 1.00 0.00 H new ATOM 0 HD22 LEU A 232 0.437 -2.162 -8.816 1.00 0.00 H new ATOM 0 HD23 LEU A 232 -0.931 -2.094 -9.952 1.00 0.00 H new ATOM 48 N GLU A 233 1.285 -2.230 -14.654 1.00 0.00 N ATOM 49 CA GLU A 233 2.171 -1.640 -15.647 1.00 0.00 C ATOM 50 C GLU A 233 2.355 -0.151 -15.377 1.00 0.00 C ATOM 51 O GLU A 233 3.481 0.338 -15.269 1.00 0.00 O ATOM 52 CB GLU A 233 1.610 -1.851 -17.055 1.00 0.00 C ATOM 53 CG GLU A 233 0.141 -1.485 -17.186 1.00 0.00 C ATOM 54 CD GLU A 233 -0.505 -2.098 -18.413 1.00 0.00 C ATOM 55 OE1 GLU A 233 -0.124 -3.229 -18.781 1.00 0.00 O ATOM 56 OE2 GLU A 233 -1.391 -1.447 -19.005 1.00 0.00 O ATOM 0 H GLU A 233 0.513 -2.770 -15.044 1.00 0.00 H new ATOM 0 HA GLU A 233 3.141 -2.132 -15.578 1.00 0.00 H new ATOM 0 HB2 GLU A 233 2.189 -1.255 -17.761 1.00 0.00 H new ATOM 0 HB3 GLU A 233 1.742 -2.896 -17.337 1.00 0.00 H new ATOM 0 HG2 GLU A 233 -0.393 -1.816 -16.295 1.00 0.00 H new ATOM 0 HG3 GLU A 233 0.043 -0.400 -17.232 1.00 0.00 H new ATOM 63 N PHE A 234 1.241 0.563 -15.262 1.00 0.00 N ATOM 64 CA PHE A 234 1.280 1.996 -14.997 1.00 0.00 C ATOM 65 C PHE A 234 1.672 2.259 -13.545 1.00 0.00 C ATOM 66 O PHE A 234 2.429 3.184 -13.255 1.00 0.00 O ATOM 67 CB PHE A 234 -0.072 2.639 -15.327 1.00 0.00 C ATOM 68 CG PHE A 234 -0.986 2.794 -14.144 1.00 0.00 C ATOM 69 CD1 PHE A 234 -0.695 3.707 -13.144 1.00 0.00 C ATOM 70 CD2 PHE A 234 -2.134 2.026 -14.034 1.00 0.00 C ATOM 71 CE1 PHE A 234 -1.532 3.852 -12.056 1.00 0.00 C ATOM 72 CE2 PHE A 234 -2.974 2.167 -12.949 1.00 0.00 C ATOM 73 CZ PHE A 234 -2.673 3.080 -11.958 1.00 0.00 C ATOM 0 H PHE A 234 0.302 0.174 -15.348 1.00 0.00 H new ATOM 0 HA PHE A 234 2.035 2.449 -15.639 1.00 0.00 H new ATOM 0 HB2 PHE A 234 0.103 3.620 -15.768 1.00 0.00 H new ATOM 0 HB3 PHE A 234 -0.574 2.035 -16.083 1.00 0.00 H new ATOM 0 HD1 PHE A 234 0.197 4.312 -13.216 1.00 0.00 H new ATOM 0 HD2 PHE A 234 -2.374 1.310 -14.806 1.00 0.00 H new ATOM 0 HE1 PHE A 234 -1.295 4.568 -11.283 1.00 0.00 H new ATOM 0 HE2 PHE A 234 -3.867 1.564 -12.875 1.00 0.00 H new ATOM 0 HZ PHE A 234 -3.329 3.190 -11.107 1.00 0.00 H new ATOM 83 N LEU A 235 1.159 1.431 -12.639 1.00 0.00 N ATOM 84 CA LEU A 235 1.469 1.572 -11.222 1.00 0.00 C ATOM 85 C LEU A 235 2.960 1.365 -10.981 1.00 0.00 C ATOM 86 O LEU A 235 3.596 2.130 -10.256 1.00 0.00 O ATOM 87 CB LEU A 235 0.666 0.567 -10.392 1.00 0.00 C ATOM 88 CG LEU A 235 -0.825 0.872 -10.254 1.00 0.00 C ATOM 89 CD1 LEU A 235 -1.604 0.263 -11.408 1.00 0.00 C ATOM 90 CD2 LEU A 235 -1.339 0.347 -8.926 1.00 0.00 C ATOM 0 H LEU A 235 0.530 0.659 -12.861 1.00 0.00 H new ATOM 0 HA LEU A 235 1.196 2.581 -10.913 1.00 0.00 H new ATOM 0 HB2 LEU A 235 0.777 -0.420 -10.841 1.00 0.00 H new ATOM 0 HB3 LEU A 235 1.102 0.515 -9.395 1.00 0.00 H new ATOM 0 HG LEU A 235 -0.967 1.952 -10.283 1.00 0.00 H new ATOM 0 HD11 LEU A 235 -2.664 0.491 -11.292 1.00 0.00 H new ATOM 0 HD12 LEU A 235 -1.244 0.679 -12.349 1.00 0.00 H new ATOM 0 HD13 LEU A 235 -1.464 -0.818 -11.411 1.00 0.00 H new ATOM 0 HD21 LEU A 235 -2.402 0.568 -8.834 1.00 0.00 H new ATOM 0 HD22 LEU A 235 -1.187 -0.731 -8.878 1.00 0.00 H new ATOM 0 HD23 LEU A 235 -0.797 0.827 -8.111 1.00 0.00 H new ATOM 102 N ARG A 236 3.510 0.325 -11.599 1.00 0.00 N ATOM 103 CA ARG A 236 4.925 0.011 -11.461 1.00 0.00 C ATOM 104 C ARG A 236 5.779 1.069 -12.147 1.00 0.00 C ATOM 105 O ARG A 236 6.897 1.356 -11.719 1.00 0.00 O ATOM 106 CB ARG A 236 5.223 -1.368 -12.052 1.00 0.00 C ATOM 107 CG ARG A 236 4.738 -2.519 -11.184 1.00 0.00 C ATOM 108 CD ARG A 236 4.787 -3.839 -11.934 1.00 0.00 C ATOM 109 NE ARG A 236 6.140 -4.386 -11.991 1.00 0.00 N ATOM 110 CZ ARG A 236 6.509 -5.351 -12.826 1.00 0.00 C ATOM 111 NH1 ARG A 236 5.630 -5.874 -13.670 1.00 0.00 N ATOM 112 NH2 ARG A 236 7.760 -5.794 -12.819 1.00 0.00 N ATOM 0 H ARG A 236 2.994 -0.316 -12.202 1.00 0.00 H new ATOM 0 HA ARG A 236 5.171 0.001 -10.399 1.00 0.00 H new ATOM 0 HB2 ARG A 236 4.756 -1.442 -13.034 1.00 0.00 H new ATOM 0 HB3 ARG A 236 6.298 -1.465 -12.203 1.00 0.00 H new ATOM 0 HG2 ARG A 236 5.355 -2.585 -10.288 1.00 0.00 H new ATOM 0 HG3 ARG A 236 3.717 -2.324 -10.855 1.00 0.00 H new ATOM 0 HD2 ARG A 236 4.126 -4.557 -11.448 1.00 0.00 H new ATOM 0 HD3 ARG A 236 4.411 -3.695 -12.947 1.00 0.00 H new ATOM 0 HE ARG A 236 6.840 -4.006 -11.354 1.00 0.00 H new ATOM 0 HH11 ARG A 236 4.668 -5.535 -13.679 1.00 0.00 H new ATOM 0 HH12 ARG A 236 5.916 -6.615 -14.310 1.00 0.00 H new ATOM 0 HH21 ARG A 236 8.439 -5.393 -12.172 1.00 0.00 H new ATOM 0 HH22 ARG A 236 8.042 -6.535 -13.461 1.00 0.00 H new ATOM 126 N ASP A 237 5.242 1.650 -13.215 1.00 0.00 N ATOM 127 CA ASP A 237 5.952 2.684 -13.961 1.00 0.00 C ATOM 128 C ASP A 237 5.899 4.015 -13.220 1.00 0.00 C ATOM 129 O ASP A 237 6.913 4.698 -13.074 1.00 0.00 O ATOM 130 CB ASP A 237 5.349 2.840 -15.358 1.00 0.00 C ATOM 131 CG ASP A 237 6.105 2.047 -16.406 1.00 0.00 C ATOM 132 OD1 ASP A 237 6.786 1.069 -16.032 1.00 0.00 O ATOM 133 OD2 ASP A 237 6.016 2.403 -17.599 1.00 0.00 O ATOM 0 H ASP A 237 4.318 1.423 -13.583 1.00 0.00 H new ATOM 0 HA ASP A 237 6.994 2.380 -14.057 1.00 0.00 H new ATOM 0 HB2 ASP A 237 4.309 2.514 -15.340 1.00 0.00 H new ATOM 0 HB3 ASP A 237 5.348 3.894 -15.635 1.00 0.00 H new ATOM 138 N GLN A 238 4.709 4.375 -12.752 1.00 0.00 N ATOM 139 CA GLN A 238 4.518 5.623 -12.020 1.00 0.00 C ATOM 140 C GLN A 238 4.995 5.486 -10.579 1.00 0.00 C ATOM 141 O GLN A 238 5.307 4.387 -10.119 1.00 0.00 O ATOM 142 CB GLN A 238 3.044 6.033 -12.047 1.00 0.00 C ATOM 143 CG GLN A 238 2.723 7.087 -13.093 1.00 0.00 C ATOM 144 CD GLN A 238 1.657 8.061 -12.632 1.00 0.00 C ATOM 145 OE1 GLN A 238 1.719 8.588 -11.521 1.00 0.00 O ATOM 146 NE2 GLN A 238 0.668 8.304 -13.485 1.00 0.00 N ATOM 0 H GLN A 238 3.861 3.820 -12.866 1.00 0.00 H new ATOM 0 HA GLN A 238 5.112 6.397 -12.507 1.00 0.00 H new ATOM 0 HB2 GLN A 238 2.434 5.150 -12.235 1.00 0.00 H new ATOM 0 HB3 GLN A 238 2.763 6.412 -11.064 1.00 0.00 H new ATOM 0 HG2 GLN A 238 3.631 7.638 -13.339 1.00 0.00 H new ATOM 0 HG3 GLN A 238 2.390 6.596 -14.008 1.00 0.00 H new ATOM 0 HE21 GLN A 238 0.656 7.845 -14.396 1.00 0.00 H new ATOM 0 HE22 GLN A 238 -0.079 8.949 -13.229 1.00 0.00 H new ATOM 155 N PRO A 239 5.060 6.608 -9.846 1.00 0.00 N ATOM 156 CA PRO A 239 5.503 6.620 -8.451 1.00 0.00 C ATOM 157 C PRO A 239 4.404 6.194 -7.481 1.00 0.00 C ATOM 158 O PRO A 239 4.518 6.398 -6.272 1.00 0.00 O ATOM 159 CB PRO A 239 5.869 8.085 -8.230 1.00 0.00 C ATOM 160 CG PRO A 239 4.942 8.837 -9.123 1.00 0.00 C ATOM 161 CD PRO A 239 4.709 7.958 -10.326 1.00 0.00 C ATOM 0 HA PRO A 239 6.318 5.919 -8.271 1.00 0.00 H new ATOM 0 HB2 PRO A 239 5.738 8.374 -7.187 1.00 0.00 H new ATOM 0 HB3 PRO A 239 6.911 8.277 -8.486 1.00 0.00 H new ATOM 0 HG2 PRO A 239 4.004 9.056 -8.614 1.00 0.00 H new ATOM 0 HG3 PRO A 239 5.375 9.793 -9.418 1.00 0.00 H new ATOM 0 HD2 PRO A 239 3.673 8.007 -10.663 1.00 0.00 H new ATOM 0 HD3 PRO A 239 5.333 8.258 -11.168 1.00 0.00 H new ATOM 169 N GLN A 240 3.339 5.602 -8.015 1.00 0.00 N ATOM 170 CA GLN A 240 2.223 5.152 -7.192 1.00 0.00 C ATOM 171 C GLN A 240 2.718 4.473 -5.919 1.00 0.00 C ATOM 172 O GLN A 240 2.222 4.747 -4.826 1.00 0.00 O ATOM 173 CB GLN A 240 1.331 4.193 -7.983 1.00 0.00 C ATOM 174 CG GLN A 240 1.941 2.815 -8.184 1.00 0.00 C ATOM 175 CD GLN A 240 1.806 1.932 -6.960 1.00 0.00 C ATOM 176 OE1 GLN A 240 2.783 1.349 -6.489 1.00 0.00 O ATOM 177 NE2 GLN A 240 0.589 1.828 -6.437 1.00 0.00 N ATOM 0 H GLN A 240 3.226 5.423 -9.013 1.00 0.00 H new ATOM 0 HA GLN A 240 1.641 6.029 -6.908 1.00 0.00 H new ATOM 0 HB2 GLN A 240 0.378 4.086 -7.465 1.00 0.00 H new ATOM 0 HB3 GLN A 240 1.116 4.631 -8.958 1.00 0.00 H new ATOM 0 HG2 GLN A 240 1.459 2.329 -9.032 1.00 0.00 H new ATOM 0 HG3 GLN A 240 2.996 2.922 -8.435 1.00 0.00 H new ATOM 0 HE21 GLN A 240 -0.192 2.329 -6.860 1.00 0.00 H new ATOM 0 HE22 GLN A 240 0.436 1.247 -5.613 1.00 0.00 H new ATOM 186 N PHE A 241 3.697 3.584 -6.065 1.00 0.00 N ATOM 187 CA PHE A 241 4.250 2.869 -4.919 1.00 0.00 C ATOM 188 C PHE A 241 4.766 3.844 -3.868 1.00 0.00 C ATOM 189 O PHE A 241 4.332 3.816 -2.716 1.00 0.00 O ATOM 190 CB PHE A 241 5.375 1.922 -5.351 1.00 0.00 C ATOM 191 CG PHE A 241 6.066 2.338 -6.616 1.00 0.00 C ATOM 192 CD1 PHE A 241 7.166 3.179 -6.576 1.00 0.00 C ATOM 193 CD2 PHE A 241 5.614 1.887 -7.845 1.00 0.00 C ATOM 194 CE1 PHE A 241 7.803 3.562 -7.741 1.00 0.00 C ATOM 195 CE2 PHE A 241 6.247 2.267 -9.012 1.00 0.00 C ATOM 196 CZ PHE A 241 7.342 3.106 -8.960 1.00 0.00 C ATOM 0 H PHE A 241 4.122 3.343 -6.960 1.00 0.00 H new ATOM 0 HA PHE A 241 3.446 2.276 -4.482 1.00 0.00 H new ATOM 0 HB2 PHE A 241 6.111 1.859 -4.550 1.00 0.00 H new ATOM 0 HB3 PHE A 241 4.963 0.922 -5.485 1.00 0.00 H new ATOM 0 HD1 PHE A 241 7.529 3.539 -5.625 1.00 0.00 H new ATOM 0 HD2 PHE A 241 4.757 1.231 -7.891 1.00 0.00 H new ATOM 0 HE1 PHE A 241 8.660 4.217 -7.698 1.00 0.00 H new ATOM 0 HE2 PHE A 241 5.886 1.908 -9.964 1.00 0.00 H new ATOM 0 HZ PHE A 241 7.837 3.405 -9.872 1.00 0.00 H new ATOM 206 N GLN A 242 5.691 4.706 -4.271 1.00 0.00 N ATOM 207 CA GLN A 242 6.263 5.691 -3.362 1.00 0.00 C ATOM 208 C GLN A 242 5.198 6.676 -2.892 1.00 0.00 C ATOM 209 O GLN A 242 5.175 7.074 -1.727 1.00 0.00 O ATOM 210 CB GLN A 242 7.408 6.443 -4.042 1.00 0.00 C ATOM 211 CG GLN A 242 8.337 7.146 -3.066 1.00 0.00 C ATOM 212 CD GLN A 242 8.640 8.575 -3.473 1.00 0.00 C ATOM 213 OE1 GLN A 242 7.987 9.513 -3.019 1.00 0.00 O ATOM 214 NE2 GLN A 242 9.635 8.746 -4.336 1.00 0.00 N ATOM 0 H GLN A 242 6.061 4.743 -5.221 1.00 0.00 H new ATOM 0 HA GLN A 242 6.654 5.163 -2.493 1.00 0.00 H new ATOM 0 HB2 GLN A 242 7.988 5.741 -4.641 1.00 0.00 H new ATOM 0 HB3 GLN A 242 6.991 7.180 -4.729 1.00 0.00 H new ATOM 0 HG2 GLN A 242 7.885 7.143 -2.074 1.00 0.00 H new ATOM 0 HG3 GLN A 242 9.270 6.588 -2.993 1.00 0.00 H new ATOM 0 HE21 GLN A 242 10.150 7.939 -4.687 1.00 0.00 H new ATOM 0 HE22 GLN A 242 9.884 9.685 -4.648 1.00 0.00 H new ATOM 223 N ASN A 243 4.313 7.063 -3.806 1.00 0.00 N ATOM 224 CA ASN A 243 3.242 7.999 -3.485 1.00 0.00 C ATOM 225 C ASN A 243 2.399 7.482 -2.325 1.00 0.00 C ATOM 226 O ASN A 243 2.364 8.086 -1.252 1.00 0.00 O ATOM 227 CB ASN A 243 2.357 8.232 -4.711 1.00 0.00 C ATOM 228 CG ASN A 243 2.752 9.478 -5.480 1.00 0.00 C ATOM 229 OD1 ASN A 243 3.224 9.398 -6.614 1.00 0.00 O ATOM 230 ND2 ASN A 243 2.560 10.639 -4.866 1.00 0.00 N ATOM 0 H ASN A 243 4.317 6.743 -4.774 1.00 0.00 H new ATOM 0 HA ASN A 243 3.695 8.945 -3.188 1.00 0.00 H new ATOM 0 HB2 ASN A 243 2.419 7.366 -5.370 1.00 0.00 H new ATOM 0 HB3 ASN A 243 1.317 8.318 -4.394 1.00 0.00 H new ATOM 0 HD21 ASN A 243 2.807 11.511 -5.335 1.00 0.00 H new ATOM 0 HD22 ASN A 243 2.166 10.659 -3.925 1.00 0.00 H new ATOM 237 N MET A 244 1.722 6.359 -2.546 1.00 0.00 N ATOM 238 CA MET A 244 0.882 5.757 -1.516 1.00 0.00 C ATOM 239 C MET A 244 1.694 5.460 -0.262 1.00 0.00 C ATOM 240 O MET A 244 1.483 6.068 0.787 1.00 0.00 O ATOM 241 CB MET A 244 0.240 4.469 -2.038 1.00 0.00 C ATOM 242 CG MET A 244 -0.676 4.688 -3.229 1.00 0.00 C ATOM 243 SD MET A 244 -1.205 3.142 -3.993 1.00 0.00 S ATOM 244 CE MET A 244 -0.888 1.980 -2.668 1.00 0.00 C ATOM 0 H MET A 244 1.739 5.848 -3.429 1.00 0.00 H new ATOM 0 HA MET A 244 0.096 6.468 -1.261 1.00 0.00 H new ATOM 0 HB2 MET A 244 1.026 3.768 -2.319 1.00 0.00 H new ATOM 0 HB3 MET A 244 -0.329 4.004 -1.233 1.00 0.00 H new ATOM 0 HG2 MET A 244 -1.554 5.249 -2.909 1.00 0.00 H new ATOM 0 HG3 MET A 244 -0.161 5.298 -3.971 1.00 0.00 H new ATOM 0 HE1 MET A 244 -1.341 1.019 -2.911 1.00 0.00 H new ATOM 0 HE2 MET A 244 0.188 1.853 -2.545 1.00 0.00 H new ATOM 0 HE3 MET A 244 -1.317 2.360 -1.741 1.00 0.00 H new ATOM 254 N ARG A 245 2.622 4.518 -0.379 1.00 0.00 N ATOM 255 CA ARG A 245 3.468 4.134 0.744 1.00 0.00 C ATOM 256 C ARG A 245 3.918 5.357 1.533 1.00 0.00 C ATOM 257 O ARG A 245 4.171 5.268 2.731 1.00 0.00 O ATOM 258 CB ARG A 245 4.689 3.357 0.247 1.00 0.00 C ATOM 259 CG ARG A 245 5.793 4.246 -0.300 1.00 0.00 C ATOM 260 CD ARG A 245 6.896 3.426 -0.950 1.00 0.00 C ATOM 261 NE ARG A 245 8.124 4.196 -1.121 1.00 0.00 N ATOM 262 CZ ARG A 245 9.036 3.933 -2.050 1.00 0.00 C ATOM 263 NH1 ARG A 245 8.855 2.922 -2.890 1.00 0.00 N ATOM 264 NH2 ARG A 245 10.128 4.678 -2.142 1.00 0.00 N ATOM 0 H ARG A 245 2.808 4.006 -1.241 1.00 0.00 H new ATOM 0 HA ARG A 245 2.881 3.495 1.404 1.00 0.00 H new ATOM 0 HB2 ARG A 245 5.088 2.759 1.067 1.00 0.00 H new ATOM 0 HB3 ARG A 245 4.375 2.661 -0.531 1.00 0.00 H new ATOM 0 HG2 ARG A 245 5.375 4.940 -1.030 1.00 0.00 H new ATOM 0 HG3 ARG A 245 6.212 4.847 0.507 1.00 0.00 H new ATOM 0 HD2 ARG A 245 7.102 2.547 -0.339 1.00 0.00 H new ATOM 0 HD3 ARG A 245 6.556 3.067 -1.921 1.00 0.00 H new ATOM 0 HE ARG A 245 8.291 4.981 -0.491 1.00 0.00 H new ATOM 0 HH11 ARG A 245 8.015 2.347 -2.822 1.00 0.00 H new ATOM 0 HH12 ARG A 245 9.555 2.720 -3.603 1.00 0.00 H new ATOM 0 HH21 ARG A 245 10.270 5.456 -1.498 1.00 0.00 H new ATOM 0 HH22 ARG A 245 10.826 4.473 -2.857 1.00 0.00 H new ATOM 278 N GLN A 246 4.018 6.497 0.857 1.00 0.00 N ATOM 279 CA GLN A 246 4.443 7.733 1.508 1.00 0.00 C ATOM 280 C GLN A 246 3.343 8.290 2.405 1.00 0.00 C ATOM 281 O GLN A 246 3.479 8.310 3.629 1.00 0.00 O ATOM 282 CB GLN A 246 4.838 8.774 0.461 1.00 0.00 C ATOM 283 CG GLN A 246 6.330 8.818 0.178 1.00 0.00 C ATOM 284 CD GLN A 246 6.897 10.222 0.257 1.00 0.00 C ATOM 285 OE1 GLN A 246 6.673 11.045 -0.631 1.00 0.00 O ATOM 286 NE2 GLN A 246 7.636 10.503 1.323 1.00 0.00 N ATOM 0 H GLN A 246 3.812 6.592 -0.137 1.00 0.00 H new ATOM 0 HA GLN A 246 5.308 7.504 2.130 1.00 0.00 H new ATOM 0 HB2 GLN A 246 4.307 8.563 -0.467 1.00 0.00 H new ATOM 0 HB3 GLN A 246 4.512 9.758 0.798 1.00 0.00 H new ATOM 0 HG2 GLN A 246 6.850 8.179 0.892 1.00 0.00 H new ATOM 0 HG3 GLN A 246 6.520 8.409 -0.814 1.00 0.00 H new ATOM 0 HE21 GLN A 246 7.796 9.790 2.035 1.00 0.00 H new ATOM 0 HE22 GLN A 246 8.044 11.432 1.430 1.00 0.00 H new ATOM 295 N VAL A 247 2.253 8.739 1.791 1.00 0.00 N ATOM 296 CA VAL A 247 1.132 9.294 2.539 1.00 0.00 C ATOM 297 C VAL A 247 0.802 8.417 3.741 1.00 0.00 C ATOM 298 O VAL A 247 0.633 8.907 4.858 1.00 0.00 O ATOM 299 CB VAL A 247 -0.122 9.429 1.653 1.00 0.00 C ATOM 300 CG1 VAL A 247 -0.328 8.171 0.824 1.00 0.00 C ATOM 301 CG2 VAL A 247 -1.349 9.724 2.501 1.00 0.00 C ATOM 0 H VAL A 247 2.123 8.729 0.779 1.00 0.00 H new ATOM 0 HA VAL A 247 1.430 10.285 2.881 1.00 0.00 H new ATOM 0 HB VAL A 247 0.028 10.266 0.971 1.00 0.00 H new ATOM 0 HG11 VAL A 247 -1.218 8.285 0.205 1.00 0.00 H new ATOM 0 HG12 VAL A 247 0.540 8.010 0.185 1.00 0.00 H new ATOM 0 HG13 VAL A 247 -0.454 7.315 1.487 1.00 0.00 H new ATOM 0 HG21 VAL A 247 -2.223 9.816 1.856 1.00 0.00 H new ATOM 0 HG22 VAL A 247 -1.505 8.911 3.211 1.00 0.00 H new ATOM 0 HG23 VAL A 247 -1.200 10.657 3.045 1.00 0.00 H new ATOM 311 N ILE A 248 0.713 7.115 3.499 1.00 0.00 N ATOM 312 CA ILE A 248 0.405 6.156 4.549 1.00 0.00 C ATOM 313 C ILE A 248 1.606 5.938 5.465 1.00 0.00 C ATOM 314 O ILE A 248 1.444 5.687 6.659 1.00 0.00 O ATOM 315 CB ILE A 248 -0.044 4.805 3.958 1.00 0.00 C ATOM 316 CG1 ILE A 248 0.964 4.316 2.902 1.00 0.00 C ATOM 317 CG2 ILE A 248 -1.446 4.940 3.375 1.00 0.00 C ATOM 318 CD1 ILE A 248 0.335 3.835 1.606 1.00 0.00 C ATOM 0 H ILE A 248 0.851 6.698 2.578 1.00 0.00 H new ATOM 0 HA ILE A 248 -0.415 6.573 5.134 1.00 0.00 H new ATOM 0 HB ILE A 248 -0.074 4.057 4.750 1.00 0.00 H new ATOM 0 HG12 ILE A 248 1.656 5.127 2.676 1.00 0.00 H new ATOM 0 HG13 ILE A 248 1.553 3.504 3.329 1.00 0.00 H new ATOM 0 HG21 ILE A 248 -1.760 3.983 2.958 1.00 0.00 H new ATOM 0 HG22 ILE A 248 -2.140 5.239 4.161 1.00 0.00 H new ATOM 0 HG23 ILE A 248 -1.442 5.695 2.589 1.00 0.00 H new ATOM 0 HD11 ILE A 248 1.118 3.509 0.921 1.00 0.00 H new ATOM 0 HD12 ILE A 248 -0.335 3.001 1.814 1.00 0.00 H new ATOM 0 HD13 ILE A 248 -0.230 4.649 1.152 1.00 0.00 H new ATOM 330 N GLN A 249 2.810 6.045 4.907 1.00 0.00 N ATOM 331 CA GLN A 249 4.024 5.868 5.696 1.00 0.00 C ATOM 332 C GLN A 249 3.983 6.774 6.916 1.00 0.00 C ATOM 333 O GLN A 249 3.880 6.303 8.049 1.00 0.00 O ATOM 334 CB GLN A 249 5.270 6.170 4.855 1.00 0.00 C ATOM 335 CG GLN A 249 6.478 6.593 5.676 1.00 0.00 C ATOM 336 CD GLN A 249 7.041 5.460 6.511 1.00 0.00 C ATOM 337 OE1 GLN A 249 6.347 4.487 6.805 1.00 0.00 O ATOM 338 NE2 GLN A 249 8.305 5.581 6.898 1.00 0.00 N ATOM 0 H GLN A 249 2.969 6.251 3.921 1.00 0.00 H new ATOM 0 HA GLN A 249 4.077 4.829 6.022 1.00 0.00 H new ATOM 0 HB2 GLN A 249 5.529 5.284 4.275 1.00 0.00 H new ATOM 0 HB3 GLN A 249 5.033 6.959 4.142 1.00 0.00 H new ATOM 0 HG2 GLN A 249 7.254 6.967 5.008 1.00 0.00 H new ATOM 0 HG3 GLN A 249 6.197 7.417 6.331 1.00 0.00 H new ATOM 0 HE21 GLN A 249 8.843 6.405 6.631 1.00 0.00 H new ATOM 0 HE22 GLN A 249 8.738 4.850 7.462 1.00 0.00 H new ATOM 347 N GLN A 250 4.042 8.076 6.675 1.00 0.00 N ATOM 348 CA GLN A 250 3.987 9.049 7.753 1.00 0.00 C ATOM 349 C GLN A 250 2.557 9.163 8.263 1.00 0.00 C ATOM 350 O GLN A 250 2.304 9.077 9.465 1.00 0.00 O ATOM 351 CB GLN A 250 4.486 10.413 7.272 1.00 0.00 C ATOM 352 CG GLN A 250 5.735 10.332 6.408 1.00 0.00 C ATOM 353 CD GLN A 250 6.007 11.621 5.657 1.00 0.00 C ATOM 354 OE1 GLN A 250 6.699 12.509 6.154 1.00 0.00 O ATOM 355 NE2 GLN A 250 5.461 11.729 4.451 1.00 0.00 N ATOM 0 H GLN A 250 4.128 8.481 5.743 1.00 0.00 H new ATOM 0 HA GLN A 250 4.634 8.715 8.564 1.00 0.00 H new ATOM 0 HB2 GLN A 250 3.693 10.902 6.706 1.00 0.00 H new ATOM 0 HB3 GLN A 250 4.693 11.041 8.138 1.00 0.00 H new ATOM 0 HG2 GLN A 250 6.593 10.094 7.037 1.00 0.00 H new ATOM 0 HG3 GLN A 250 5.627 9.515 5.694 1.00 0.00 H new ATOM 0 HE21 GLN A 250 4.894 10.968 4.078 1.00 0.00 H new ATOM 0 HE22 GLN A 250 5.609 12.573 3.898 1.00 0.00 H new ATOM 364 N ASN A 251 1.626 9.342 7.330 1.00 0.00 N ATOM 365 CA ASN A 251 0.214 9.446 7.657 1.00 0.00 C ATOM 366 C ASN A 251 -0.512 8.121 7.413 1.00 0.00 C ATOM 367 O ASN A 251 -1.340 8.031 6.506 1.00 0.00 O ATOM 368 CB ASN A 251 -0.438 10.556 6.831 1.00 0.00 C ATOM 369 CG ASN A 251 -1.323 11.457 7.671 1.00 0.00 C ATOM 370 OD1 ASN A 251 -0.937 11.889 8.757 1.00 0.00 O ATOM 371 ND2 ASN A 251 -2.518 11.746 7.169 1.00 0.00 N ATOM 0 H ASN A 251 1.831 9.418 6.334 1.00 0.00 H new ATOM 0 HA ASN A 251 0.133 9.689 8.717 1.00 0.00 H new ATOM 0 HB2 ASN A 251 0.338 11.155 6.355 1.00 0.00 H new ATOM 0 HB3 ASN A 251 -1.031 10.110 6.032 1.00 0.00 H new ATOM 0 HD21 ASN A 251 -3.157 12.348 7.688 1.00 0.00 H new ATOM 0 HD22 ASN A 251 -2.797 11.366 6.265 1.00 0.00 H new ATOM 378 N PRO A 252 -0.232 7.072 8.208 1.00 0.00 N ATOM 379 CA PRO A 252 -0.887 5.766 8.047 1.00 0.00 C ATOM 380 C PRO A 252 -2.311 5.753 8.603 1.00 0.00 C ATOM 381 O PRO A 252 -2.791 4.721 9.071 1.00 0.00 O ATOM 382 CB PRO A 252 0.002 4.839 8.871 1.00 0.00 C ATOM 383 CG PRO A 252 0.519 5.715 9.957 1.00 0.00 C ATOM 384 CD PRO A 252 0.737 7.061 9.321 1.00 0.00 C ATOM 0 HA PRO A 252 -0.987 5.484 6.999 1.00 0.00 H new ATOM 0 HB2 PRO A 252 -0.561 3.996 9.271 1.00 0.00 H new ATOM 0 HB3 PRO A 252 0.812 4.425 8.271 1.00 0.00 H new ATOM 0 HG2 PRO A 252 -0.193 5.781 10.780 1.00 0.00 H new ATOM 0 HG3 PRO A 252 1.448 5.321 10.370 1.00 0.00 H new ATOM 0 HD2 PRO A 252 0.551 7.873 10.024 1.00 0.00 H new ATOM 0 HD3 PRO A 252 1.761 7.176 8.964 1.00 0.00 H new ATOM 392 N ALA A 253 -2.977 6.903 8.556 1.00 0.00 N ATOM 393 CA ALA A 253 -4.338 7.018 9.063 1.00 0.00 C ATOM 394 C ALA A 253 -5.358 6.569 8.025 1.00 0.00 C ATOM 395 O ALA A 253 -6.299 5.839 8.339 1.00 0.00 O ATOM 396 CB ALA A 253 -4.633 8.443 9.505 1.00 0.00 C ATOM 0 H ALA A 253 -2.595 7.767 8.172 1.00 0.00 H new ATOM 0 HA ALA A 253 -4.420 6.359 9.927 1.00 0.00 H new ATOM 0 HB1 ALA A 253 -5.655 8.504 9.880 1.00 0.00 H new ATOM 0 HB2 ALA A 253 -3.939 8.730 10.295 1.00 0.00 H new ATOM 0 HB3 ALA A 253 -4.517 9.118 8.657 1.00 0.00 H new ATOM 402 N LEU A 254 -5.169 7.013 6.788 1.00 0.00 N ATOM 403 CA LEU A 254 -6.077 6.660 5.705 1.00 0.00 C ATOM 404 C LEU A 254 -5.658 5.351 5.050 1.00 0.00 C ATOM 405 O LEU A 254 -6.295 4.886 4.103 1.00 0.00 O ATOM 406 CB LEU A 254 -6.118 7.778 4.660 1.00 0.00 C ATOM 407 CG LEU A 254 -6.446 9.167 5.212 1.00 0.00 C ATOM 408 CD1 LEU A 254 -7.344 9.059 6.435 1.00 0.00 C ATOM 409 CD2 LEU A 254 -5.168 9.920 5.552 1.00 0.00 C ATOM 0 H LEU A 254 -4.396 7.618 6.511 1.00 0.00 H new ATOM 0 HA LEU A 254 -7.074 6.531 6.127 1.00 0.00 H new ATOM 0 HB2 LEU A 254 -5.151 7.822 4.159 1.00 0.00 H new ATOM 0 HB3 LEU A 254 -6.858 7.520 3.903 1.00 0.00 H new ATOM 0 HG LEU A 254 -6.981 9.725 4.443 1.00 0.00 H new ATOM 0 HD11 LEU A 254 -7.566 10.057 6.813 1.00 0.00 H new ATOM 0 HD12 LEU A 254 -8.273 8.560 6.161 1.00 0.00 H new ATOM 0 HD13 LEU A 254 -6.837 8.483 7.209 1.00 0.00 H new ATOM 0 HD21 LEU A 254 -5.420 10.906 5.943 1.00 0.00 H new ATOM 0 HD22 LEU A 254 -4.607 9.364 6.303 1.00 0.00 H new ATOM 0 HD23 LEU A 254 -4.561 10.030 4.654 1.00 0.00 H new ATOM 421 N LEU A 255 -4.578 4.762 5.553 1.00 0.00 N ATOM 422 CA LEU A 255 -4.070 3.513 5.009 1.00 0.00 C ATOM 423 C LEU A 255 -3.913 3.616 3.499 1.00 0.00 C ATOM 424 O LEU A 255 -4.332 4.595 2.882 1.00 0.00 O ATOM 425 CB LEU A 255 -4.998 2.349 5.367 1.00 0.00 C ATOM 426 CG LEU A 255 -6.093 2.045 4.341 1.00 0.00 C ATOM 427 CD1 LEU A 255 -5.833 0.710 3.661 1.00 0.00 C ATOM 428 CD2 LEU A 255 -7.454 2.041 5.014 1.00 0.00 C ATOM 0 H LEU A 255 -4.039 5.131 6.336 1.00 0.00 H new ATOM 0 HA LEU A 255 -3.092 3.322 5.450 1.00 0.00 H new ATOM 0 HB2 LEU A 255 -4.393 1.453 5.504 1.00 0.00 H new ATOM 0 HB3 LEU A 255 -5.471 2.564 6.325 1.00 0.00 H new ATOM 0 HG LEU A 255 -6.081 2.825 3.579 1.00 0.00 H new ATOM 0 HD11 LEU A 255 -6.622 0.512 2.935 1.00 0.00 H new ATOM 0 HD12 LEU A 255 -4.870 0.743 3.151 1.00 0.00 H new ATOM 0 HD13 LEU A 255 -5.820 -0.083 4.409 1.00 0.00 H new ATOM 0 HD21 LEU A 255 -8.225 1.824 4.275 1.00 0.00 H new ATOM 0 HD22 LEU A 255 -7.473 1.278 5.793 1.00 0.00 H new ATOM 0 HD23 LEU A 255 -7.643 3.018 5.459 1.00 0.00 H new ATOM 440 N PRO A 256 -3.295 2.604 2.888 1.00 0.00 N ATOM 441 CA PRO A 256 -3.061 2.566 1.447 1.00 0.00 C ATOM 442 C PRO A 256 -4.344 2.294 0.670 1.00 0.00 C ATOM 443 O PRO A 256 -4.405 1.380 -0.152 1.00 0.00 O ATOM 444 CB PRO A 256 -2.059 1.413 1.266 1.00 0.00 C ATOM 445 CG PRO A 256 -1.636 1.024 2.650 1.00 0.00 C ATOM 446 CD PRO A 256 -2.762 1.421 3.558 1.00 0.00 C ATOM 0 HA PRO A 256 -2.691 3.518 1.068 1.00 0.00 H new ATOM 0 HB2 PRO A 256 -2.519 0.572 0.746 1.00 0.00 H new ATOM 0 HB3 PRO A 256 -1.203 1.728 0.669 1.00 0.00 H new ATOM 0 HG2 PRO A 256 -1.445 -0.047 2.712 1.00 0.00 H new ATOM 0 HG3 PRO A 256 -0.712 1.529 2.931 1.00 0.00 H new ATOM 0 HD2 PRO A 256 -3.509 0.633 3.649 1.00 0.00 H new ATOM 0 HD3 PRO A 256 -2.413 1.646 4.566 1.00 0.00 H new ATOM 454 N ALA A 257 -5.368 3.099 0.937 1.00 0.00 N ATOM 455 CA ALA A 257 -6.651 2.955 0.266 1.00 0.00 C ATOM 456 C ALA A 257 -6.495 3.162 -1.233 1.00 0.00 C ATOM 457 O ALA A 257 -7.251 2.605 -2.029 1.00 0.00 O ATOM 458 CB ALA A 257 -7.675 3.928 0.831 1.00 0.00 C ATOM 0 H ALA A 257 -5.332 3.859 1.616 1.00 0.00 H new ATOM 0 HA ALA A 257 -7.012 1.942 0.443 1.00 0.00 H new ATOM 0 HB1 ALA A 257 -8.625 3.799 0.312 1.00 0.00 H new ATOM 0 HB2 ALA A 257 -7.814 3.733 1.894 1.00 0.00 H new ATOM 0 HB3 ALA A 257 -7.321 4.950 0.692 1.00 0.00 H new ATOM 464 N LEU A 258 -5.504 3.962 -1.612 1.00 0.00 N ATOM 465 CA LEU A 258 -5.244 4.232 -3.017 1.00 0.00 C ATOM 466 C LEU A 258 -5.302 2.940 -3.820 1.00 0.00 C ATOM 467 O LEU A 258 -5.917 2.881 -4.887 1.00 0.00 O ATOM 468 CB LEU A 258 -3.876 4.895 -3.186 1.00 0.00 C ATOM 469 CG LEU A 258 -3.816 6.368 -2.779 1.00 0.00 C ATOM 470 CD1 LEU A 258 -5.084 7.091 -3.207 1.00 0.00 C ATOM 471 CD2 LEU A 258 -3.607 6.497 -1.277 1.00 0.00 C ATOM 0 H LEU A 258 -4.870 4.433 -0.966 1.00 0.00 H new ATOM 0 HA LEU A 258 -6.011 4.912 -3.388 1.00 0.00 H new ATOM 0 HB2 LEU A 258 -3.145 4.341 -2.597 1.00 0.00 H new ATOM 0 HB3 LEU A 258 -3.574 4.810 -4.230 1.00 0.00 H new ATOM 0 HG LEU A 258 -2.969 6.832 -3.285 1.00 0.00 H new ATOM 0 HD11 LEU A 258 -5.024 8.138 -2.909 1.00 0.00 H new ATOM 0 HD12 LEU A 258 -5.191 7.027 -4.290 1.00 0.00 H new ATOM 0 HD13 LEU A 258 -5.947 6.627 -2.729 1.00 0.00 H new ATOM 0 HD21 LEU A 258 -3.567 7.552 -1.005 1.00 0.00 H new ATOM 0 HD22 LEU A 258 -4.434 6.018 -0.752 1.00 0.00 H new ATOM 0 HD23 LEU A 258 -2.671 6.014 -0.997 1.00 0.00 H new ATOM 483 N LEU A 259 -4.670 1.898 -3.288 1.00 0.00 N ATOM 484 CA LEU A 259 -4.659 0.599 -3.943 1.00 0.00 C ATOM 485 C LEU A 259 -6.072 0.037 -4.003 1.00 0.00 C ATOM 486 O LEU A 259 -6.419 -0.715 -4.914 1.00 0.00 O ATOM 487 CB LEU A 259 -3.738 -0.368 -3.197 1.00 0.00 C ATOM 488 CG LEU A 259 -4.008 -1.851 -3.459 1.00 0.00 C ATOM 489 CD1 LEU A 259 -5.227 -2.317 -2.678 1.00 0.00 C ATOM 490 CD2 LEU A 259 -4.199 -2.102 -4.948 1.00 0.00 C ATOM 0 H LEU A 259 -4.160 1.930 -2.405 1.00 0.00 H new ATOM 0 HA LEU A 259 -4.282 0.722 -4.958 1.00 0.00 H new ATOM 0 HB2 LEU A 259 -2.706 -0.148 -3.472 1.00 0.00 H new ATOM 0 HB3 LEU A 259 -3.830 -0.181 -2.127 1.00 0.00 H new ATOM 0 HG LEU A 259 -3.144 -2.424 -3.121 1.00 0.00 H new ATOM 0 HD11 LEU A 259 -5.404 -3.374 -2.877 1.00 0.00 H new ATOM 0 HD12 LEU A 259 -5.053 -2.172 -1.612 1.00 0.00 H new ATOM 0 HD13 LEU A 259 -6.099 -1.739 -2.985 1.00 0.00 H new ATOM 0 HD21 LEU A 259 -4.390 -3.162 -5.117 1.00 0.00 H new ATOM 0 HD22 LEU A 259 -5.046 -1.519 -5.310 1.00 0.00 H new ATOM 0 HD23 LEU A 259 -3.298 -1.806 -5.485 1.00 0.00 H new ATOM 502 N GLN A 260 -6.885 0.422 -3.026 1.00 0.00 N ATOM 503 CA GLN A 260 -8.270 -0.027 -2.963 1.00 0.00 C ATOM 504 C GLN A 260 -9.046 0.496 -4.165 1.00 0.00 C ATOM 505 O GLN A 260 -9.819 -0.234 -4.783 1.00 0.00 O ATOM 506 CB GLN A 260 -8.925 0.449 -1.665 1.00 0.00 C ATOM 507 CG GLN A 260 -9.912 -0.549 -1.080 1.00 0.00 C ATOM 508 CD GLN A 260 -9.398 -1.974 -1.125 1.00 0.00 C ATOM 509 OE1 GLN A 260 -9.910 -2.807 -1.873 1.00 0.00 O ATOM 510 NE2 GLN A 260 -8.381 -2.262 -0.321 1.00 0.00 N ATOM 0 H GLN A 260 -6.608 1.044 -2.267 1.00 0.00 H new ATOM 0 HA GLN A 260 -8.285 -1.117 -2.981 1.00 0.00 H new ATOM 0 HB2 GLN A 260 -8.147 0.653 -0.929 1.00 0.00 H new ATOM 0 HB3 GLN A 260 -9.441 1.391 -1.852 1.00 0.00 H new ATOM 0 HG2 GLN A 260 -10.128 -0.277 -0.047 1.00 0.00 H new ATOM 0 HG3 GLN A 260 -10.852 -0.489 -1.629 1.00 0.00 H new ATOM 0 HE21 GLN A 260 -7.988 -1.540 0.282 1.00 0.00 H new ATOM 0 HE22 GLN A 260 -7.993 -3.205 -0.307 1.00 0.00 H new ATOM 519 N GLN A 261 -8.822 1.764 -4.500 1.00 0.00 N ATOM 520 CA GLN A 261 -9.488 2.382 -5.638 1.00 0.00 C ATOM 521 C GLN A 261 -8.996 1.755 -6.936 1.00 0.00 C ATOM 522 O GLN A 261 -9.749 1.619 -7.901 1.00 0.00 O ATOM 523 CB GLN A 261 -9.231 3.890 -5.651 1.00 0.00 C ATOM 524 CG GLN A 261 -10.026 4.634 -6.710 1.00 0.00 C ATOM 525 CD GLN A 261 -10.157 6.115 -6.408 1.00 0.00 C ATOM 526 OE1 GLN A 261 -9.263 6.905 -6.715 1.00 0.00 O ATOM 527 NE2 GLN A 261 -11.275 6.499 -5.804 1.00 0.00 N ATOM 0 H GLN A 261 -8.184 2.382 -3.998 1.00 0.00 H new ATOM 0 HA GLN A 261 -10.561 2.213 -5.548 1.00 0.00 H new ATOM 0 HB2 GLN A 261 -9.475 4.300 -4.671 1.00 0.00 H new ATOM 0 HB3 GLN A 261 -8.168 4.067 -5.815 1.00 0.00 H new ATOM 0 HG2 GLN A 261 -9.543 4.506 -7.679 1.00 0.00 H new ATOM 0 HG3 GLN A 261 -11.020 4.194 -6.789 1.00 0.00 H new ATOM 0 HE21 GLN A 261 -11.989 5.810 -5.568 1.00 0.00 H new ATOM 0 HE22 GLN A 261 -11.420 7.483 -5.576 1.00 0.00 H new ATOM 536 N LEU A 262 -7.724 1.372 -6.947 1.00 0.00 N ATOM 537 CA LEU A 262 -7.119 0.751 -8.119 1.00 0.00 C ATOM 538 C LEU A 262 -7.677 -0.652 -8.342 1.00 0.00 C ATOM 539 O LEU A 262 -8.165 -0.972 -9.426 1.00 0.00 O ATOM 540 CB LEU A 262 -5.600 0.687 -7.956 1.00 0.00 C ATOM 541 CG LEU A 262 -4.924 2.029 -7.677 1.00 0.00 C ATOM 542 CD1 LEU A 262 -3.474 2.001 -8.131 1.00 0.00 C ATOM 543 CD2 LEU A 262 -5.678 3.159 -8.360 1.00 0.00 C ATOM 0 H LEU A 262 -7.091 1.481 -6.155 1.00 0.00 H new ATOM 0 HA LEU A 262 -7.361 1.360 -8.990 1.00 0.00 H new ATOM 0 HB2 LEU A 262 -5.366 0.003 -7.141 1.00 0.00 H new ATOM 0 HB3 LEU A 262 -5.170 0.262 -8.863 1.00 0.00 H new ATOM 0 HG LEU A 262 -4.942 2.206 -6.602 1.00 0.00 H new ATOM 0 HD11 LEU A 262 -3.009 2.965 -7.924 1.00 0.00 H new ATOM 0 HD12 LEU A 262 -2.939 1.218 -7.593 1.00 0.00 H new ATOM 0 HD13 LEU A 262 -3.432 1.800 -9.201 1.00 0.00 H new ATOM 0 HD21 LEU A 262 -5.182 4.107 -8.150 1.00 0.00 H new ATOM 0 HD22 LEU A 262 -5.693 2.988 -9.436 1.00 0.00 H new ATOM 0 HD23 LEU A 262 -6.700 3.194 -7.984 1.00 0.00 H new ATOM 555 N GLY A 263 -7.602 -1.486 -7.309 1.00 0.00 N ATOM 556 CA GLY A 263 -8.100 -2.846 -7.414 1.00 0.00 C ATOM 557 C GLY A 263 -9.613 -2.912 -7.440 1.00 0.00 C ATOM 558 O GLY A 263 -10.192 -3.843 -8.001 1.00 0.00 O ATOM 0 H GLY A 263 -7.205 -1.244 -6.401 1.00 0.00 H new ATOM 0 HA2 GLY A 263 -7.704 -3.305 -8.320 1.00 0.00 H new ATOM 0 HA3 GLY A 263 -7.729 -3.431 -6.572 1.00 0.00 H new ATOM 562 N GLN A 264 -10.256 -1.920 -6.836 1.00 0.00 N ATOM 563 CA GLN A 264 -11.713 -1.868 -6.798 1.00 0.00 C ATOM 564 C GLN A 264 -12.252 -1.272 -8.090 1.00 0.00 C ATOM 565 O GLN A 264 -13.256 -1.735 -8.632 1.00 0.00 O ATOM 566 CB GLN A 264 -12.194 -1.047 -5.600 1.00 0.00 C ATOM 567 CG GLN A 264 -12.077 0.455 -5.802 1.00 0.00 C ATOM 568 CD GLN A 264 -13.276 1.041 -6.519 1.00 0.00 C ATOM 569 OE1 GLN A 264 -14.420 0.693 -6.226 1.00 0.00 O ATOM 570 NE2 GLN A 264 -13.021 1.937 -7.465 1.00 0.00 N ATOM 0 H GLN A 264 -9.793 -1.142 -6.367 1.00 0.00 H new ATOM 0 HA GLN A 264 -12.090 -2.885 -6.693 1.00 0.00 H new ATOM 0 HB2 GLN A 264 -13.235 -1.297 -5.394 1.00 0.00 H new ATOM 0 HB3 GLN A 264 -11.617 -1.332 -4.720 1.00 0.00 H new ATOM 0 HG2 GLN A 264 -11.965 0.941 -4.833 1.00 0.00 H new ATOM 0 HG3 GLN A 264 -11.175 0.672 -6.374 1.00 0.00 H new ATOM 0 HE21 GLN A 264 -12.057 2.196 -7.675 1.00 0.00 H new ATOM 0 HE22 GLN A 264 -13.789 2.366 -7.981 1.00 0.00 H new ATOM 579 N GLU A 265 -11.567 -0.248 -8.585 1.00 0.00 N ATOM 580 CA GLU A 265 -11.962 0.409 -9.822 1.00 0.00 C ATOM 581 C GLU A 265 -12.288 -0.630 -10.887 1.00 0.00 C ATOM 582 O GLU A 265 -13.435 -0.755 -11.317 1.00 0.00 O ATOM 583 CB GLU A 265 -10.838 1.336 -10.303 1.00 0.00 C ATOM 584 CG GLU A 265 -10.764 1.495 -11.815 1.00 0.00 C ATOM 585 CD GLU A 265 -12.116 1.781 -12.438 1.00 0.00 C ATOM 586 OE1 GLU A 265 -13.132 1.703 -11.716 1.00 0.00 O ATOM 587 OE2 GLU A 265 -12.159 2.084 -13.650 1.00 0.00 O ATOM 0 H GLU A 265 -10.734 0.145 -8.147 1.00 0.00 H new ATOM 0 HA GLU A 265 -12.855 1.007 -9.638 1.00 0.00 H new ATOM 0 HB2 GLU A 265 -10.975 2.319 -9.852 1.00 0.00 H new ATOM 0 HB3 GLU A 265 -9.885 0.950 -9.942 1.00 0.00 H new ATOM 0 HG2 GLU A 265 -10.077 2.306 -12.058 1.00 0.00 H new ATOM 0 HG3 GLU A 265 -10.352 0.586 -12.252 1.00 0.00 H new ATOM 594 N ASN A 266 -11.273 -1.376 -11.299 1.00 0.00 N ATOM 595 CA ASN A 266 -11.451 -2.410 -12.305 1.00 0.00 C ATOM 596 C ASN A 266 -11.475 -3.789 -11.657 1.00 0.00 C ATOM 597 O ASN A 266 -10.438 -4.315 -11.256 1.00 0.00 O ATOM 598 CB ASN A 266 -10.333 -2.340 -13.347 1.00 0.00 C ATOM 599 CG ASN A 266 -10.814 -1.789 -14.674 1.00 0.00 C ATOM 600 OD1 ASN A 266 -10.578 -0.625 -14.999 1.00 0.00 O ATOM 601 ND2 ASN A 266 -11.493 -2.624 -15.452 1.00 0.00 N ATOM 0 H ASN A 266 -10.318 -1.284 -10.952 1.00 0.00 H new ATOM 0 HA ASN A 266 -12.406 -2.241 -12.802 1.00 0.00 H new ATOM 0 HB2 ASN A 266 -9.525 -1.714 -12.968 1.00 0.00 H new ATOM 0 HB3 ASN A 266 -9.919 -3.337 -13.499 1.00 0.00 H new ATOM 0 HD21 ASN A 266 -11.841 -2.309 -16.357 1.00 0.00 H new ATOM 0 HD22 ASN A 266 -11.666 -3.581 -15.144 1.00 0.00 H new ATOM 608 N PRO A 267 -12.666 -4.395 -11.549 1.00 0.00 N ATOM 609 CA PRO A 267 -12.821 -5.720 -10.949 1.00 0.00 C ATOM 610 C PRO A 267 -11.774 -6.704 -11.456 1.00 0.00 C ATOM 611 O PRO A 267 -11.465 -7.695 -10.796 1.00 0.00 O ATOM 612 CB PRO A 267 -14.220 -6.141 -11.398 1.00 0.00 C ATOM 613 CG PRO A 267 -14.962 -4.859 -11.559 1.00 0.00 C ATOM 614 CD PRO A 267 -13.950 -3.838 -12.010 1.00 0.00 C ATOM 0 HA PRO A 267 -12.693 -5.704 -9.867 1.00 0.00 H new ATOM 0 HB2 PRO A 267 -14.185 -6.700 -12.333 1.00 0.00 H new ATOM 0 HB3 PRO A 267 -14.697 -6.785 -10.659 1.00 0.00 H new ATOM 0 HG2 PRO A 267 -15.763 -4.963 -12.291 1.00 0.00 H new ATOM 0 HG3 PRO A 267 -15.426 -4.558 -10.620 1.00 0.00 H new ATOM 0 HD2 PRO A 267 -13.966 -3.709 -13.092 1.00 0.00 H new ATOM 0 HD3 PRO A 267 -14.144 -2.860 -11.570 1.00 0.00 H new ATOM 622 N GLN A 268 -11.228 -6.418 -12.634 1.00 0.00 N ATOM 623 CA GLN A 268 -10.212 -7.274 -13.235 1.00 0.00 C ATOM 624 C GLN A 268 -8.809 -6.774 -12.901 1.00 0.00 C ATOM 625 O GLN A 268 -7.833 -7.514 -13.018 1.00 0.00 O ATOM 626 CB GLN A 268 -10.397 -7.332 -14.752 1.00 0.00 C ATOM 627 CG GLN A 268 -11.695 -7.996 -15.181 1.00 0.00 C ATOM 628 CD GLN A 268 -11.496 -8.986 -16.312 1.00 0.00 C ATOM 629 OE1 GLN A 268 -10.727 -8.739 -17.241 1.00 0.00 O ATOM 630 NE2 GLN A 268 -12.194 -10.114 -16.241 1.00 0.00 N ATOM 0 H GLN A 268 -11.473 -5.599 -13.191 1.00 0.00 H new ATOM 0 HA GLN A 268 -10.328 -8.276 -12.822 1.00 0.00 H new ATOM 0 HB2 GLN A 268 -10.367 -6.319 -15.152 1.00 0.00 H new ATOM 0 HB3 GLN A 268 -9.559 -7.873 -15.192 1.00 0.00 H new ATOM 0 HG2 GLN A 268 -12.136 -8.510 -14.327 1.00 0.00 H new ATOM 0 HG3 GLN A 268 -12.405 -7.230 -15.494 1.00 0.00 H new ATOM 0 HE21 GLN A 268 -12.820 -10.278 -15.453 1.00 0.00 H new ATOM 0 HE22 GLN A 268 -12.104 -10.817 -16.975 1.00 0.00 H new ATOM 639 N LEU A 269 -8.715 -5.512 -12.492 1.00 0.00 N ATOM 640 CA LEU A 269 -7.428 -4.917 -12.150 1.00 0.00 C ATOM 641 C LEU A 269 -6.677 -5.779 -11.141 1.00 0.00 C ATOM 642 O LEU A 269 -5.495 -6.073 -11.318 1.00 0.00 O ATOM 643 CB LEU A 269 -7.617 -3.505 -11.592 1.00 0.00 C ATOM 644 CG LEU A 269 -6.600 -2.476 -12.094 1.00 0.00 C ATOM 645 CD1 LEU A 269 -7.161 -1.704 -13.279 1.00 0.00 C ATOM 646 CD2 LEU A 269 -6.203 -1.525 -10.976 1.00 0.00 C ATOM 0 H LEU A 269 -9.512 -4.884 -12.390 1.00 0.00 H new ATOM 0 HA LEU A 269 -6.836 -4.859 -13.063 1.00 0.00 H new ATOM 0 HB2 LEU A 269 -8.619 -3.160 -11.847 1.00 0.00 H new ATOM 0 HB3 LEU A 269 -7.562 -3.549 -10.504 1.00 0.00 H new ATOM 0 HG LEU A 269 -5.708 -3.009 -12.423 1.00 0.00 H new ATOM 0 HD11 LEU A 269 -6.424 -0.978 -13.622 1.00 0.00 H new ATOM 0 HD12 LEU A 269 -7.391 -2.397 -14.088 1.00 0.00 H new ATOM 0 HD13 LEU A 269 -8.070 -1.184 -12.977 1.00 0.00 H new ATOM 0 HD21 LEU A 269 -5.480 -0.802 -11.353 1.00 0.00 H new ATOM 0 HD22 LEU A 269 -7.087 -1.000 -10.614 1.00 0.00 H new ATOM 0 HD23 LEU A 269 -5.757 -2.091 -10.158 1.00 0.00 H new ATOM 658 N LEU A 270 -7.369 -6.181 -10.081 1.00 0.00 N ATOM 659 CA LEU A 270 -6.767 -7.009 -9.042 1.00 0.00 C ATOM 660 C LEU A 270 -6.104 -8.245 -9.647 1.00 0.00 C ATOM 661 O LEU A 270 -4.937 -8.530 -9.375 1.00 0.00 O ATOM 662 CB LEU A 270 -7.827 -7.417 -8.011 1.00 0.00 C ATOM 663 CG LEU A 270 -7.664 -8.820 -7.418 1.00 0.00 C ATOM 664 CD1 LEU A 270 -6.348 -8.932 -6.664 1.00 0.00 C ATOM 665 CD2 LEU A 270 -8.835 -9.148 -6.502 1.00 0.00 C ATOM 0 H LEU A 270 -8.348 -5.947 -9.918 1.00 0.00 H new ATOM 0 HA LEU A 270 -5.996 -6.425 -8.540 1.00 0.00 H new ATOM 0 HB2 LEU A 270 -7.814 -6.693 -7.196 1.00 0.00 H new ATOM 0 HB3 LEU A 270 -8.809 -7.351 -8.480 1.00 0.00 H new ATOM 0 HG LEU A 270 -7.652 -9.541 -8.235 1.00 0.00 H new ATOM 0 HD11 LEU A 270 -6.250 -9.936 -6.250 1.00 0.00 H new ATOM 0 HD12 LEU A 270 -5.520 -8.739 -7.346 1.00 0.00 H new ATOM 0 HD13 LEU A 270 -6.329 -8.202 -5.855 1.00 0.00 H new ATOM 0 HD21 LEU A 270 -8.705 -10.148 -6.089 1.00 0.00 H new ATOM 0 HD22 LEU A 270 -8.876 -8.422 -5.690 1.00 0.00 H new ATOM 0 HD23 LEU A 270 -9.764 -9.109 -7.071 1.00 0.00 H new ATOM 677 N GLN A 271 -6.854 -8.977 -10.464 1.00 0.00 N ATOM 678 CA GLN A 271 -6.336 -10.182 -11.102 1.00 0.00 C ATOM 679 C GLN A 271 -4.899 -9.983 -11.566 1.00 0.00 C ATOM 680 O GLN A 271 -3.973 -10.597 -11.036 1.00 0.00 O ATOM 681 CB GLN A 271 -7.209 -10.569 -12.295 1.00 0.00 C ATOM 682 CG GLN A 271 -7.740 -11.990 -12.227 1.00 0.00 C ATOM 683 CD GLN A 271 -6.639 -13.018 -12.056 1.00 0.00 C ATOM 684 OE1 GLN A 271 -6.343 -13.448 -10.941 1.00 0.00 O ATOM 685 NE2 GLN A 271 -6.023 -13.415 -13.162 1.00 0.00 N ATOM 0 H GLN A 271 -7.822 -8.757 -10.700 1.00 0.00 H new ATOM 0 HA GLN A 271 -6.355 -10.984 -10.364 1.00 0.00 H new ATOM 0 HB2 GLN A 271 -8.050 -9.879 -12.357 1.00 0.00 H new ATOM 0 HB3 GLN A 271 -6.630 -10.450 -13.211 1.00 0.00 H new ATOM 0 HG2 GLN A 271 -8.441 -12.072 -11.396 1.00 0.00 H new ATOM 0 HG3 GLN A 271 -8.298 -12.209 -13.137 1.00 0.00 H new ATOM 0 HE21 GLN A 271 -6.301 -13.032 -14.066 1.00 0.00 H new ATOM 0 HE22 GLN A 271 -5.272 -14.103 -13.108 1.00 0.00 H new ATOM 694 N GLN A 272 -4.719 -9.120 -12.560 1.00 0.00 N ATOM 695 CA GLN A 272 -3.394 -8.842 -13.097 1.00 0.00 C ATOM 696 C GLN A 272 -2.494 -8.230 -12.029 1.00 0.00 C ATOM 697 O GLN A 272 -1.340 -8.629 -11.874 1.00 0.00 O ATOM 698 CB GLN A 272 -3.492 -7.903 -14.301 1.00 0.00 C ATOM 699 CG GLN A 272 -3.913 -8.602 -15.584 1.00 0.00 C ATOM 700 CD GLN A 272 -5.319 -8.233 -16.014 1.00 0.00 C ATOM 701 OE1 GLN A 272 -6.294 -8.849 -15.585 1.00 0.00 O ATOM 702 NE2 GLN A 272 -5.430 -7.221 -16.868 1.00 0.00 N ATOM 0 H GLN A 272 -5.474 -8.602 -13.009 1.00 0.00 H new ATOM 0 HA GLN A 272 -2.955 -9.786 -13.420 1.00 0.00 H new ATOM 0 HB2 GLN A 272 -4.207 -7.111 -14.077 1.00 0.00 H new ATOM 0 HB3 GLN A 272 -2.525 -7.424 -14.458 1.00 0.00 H new ATOM 0 HG2 GLN A 272 -3.214 -8.345 -16.380 1.00 0.00 H new ATOM 0 HG3 GLN A 272 -3.852 -9.681 -15.443 1.00 0.00 H new ATOM 0 HE21 GLN A 272 -4.594 -6.738 -17.198 1.00 0.00 H new ATOM 0 HE22 GLN A 272 -6.351 -6.927 -17.193 1.00 0.00 H new ATOM 711 N ILE A 273 -3.029 -7.265 -11.288 1.00 0.00 N ATOM 712 CA ILE A 273 -2.267 -6.612 -10.232 1.00 0.00 C ATOM 713 C ILE A 273 -1.498 -7.642 -9.413 1.00 0.00 C ATOM 714 O ILE A 273 -0.456 -7.338 -8.831 1.00 0.00 O ATOM 715 CB ILE A 273 -3.184 -5.787 -9.301 1.00 0.00 C ATOM 716 CG1 ILE A 273 -3.622 -4.497 -9.995 1.00 0.00 C ATOM 717 CG2 ILE A 273 -2.481 -5.470 -7.986 1.00 0.00 C ATOM 718 CD1 ILE A 273 -4.791 -3.816 -9.317 1.00 0.00 C ATOM 0 H ILE A 273 -3.982 -6.920 -11.399 1.00 0.00 H new ATOM 0 HA ILE A 273 -1.562 -5.932 -10.710 1.00 0.00 H new ATOM 0 HB ILE A 273 -4.069 -6.383 -9.078 1.00 0.00 H new ATOM 0 HG12 ILE A 273 -2.779 -3.807 -10.028 1.00 0.00 H new ATOM 0 HG13 ILE A 273 -3.891 -4.722 -11.027 1.00 0.00 H new ATOM 0 HG21 ILE A 273 -3.147 -4.889 -7.348 1.00 0.00 H new ATOM 0 HG22 ILE A 273 -2.216 -6.399 -7.482 1.00 0.00 H new ATOM 0 HG23 ILE A 273 -1.577 -4.895 -8.186 1.00 0.00 H new ATOM 0 HD11 ILE A 273 -5.049 -2.908 -9.862 1.00 0.00 H new ATOM 0 HD12 ILE A 273 -5.648 -4.489 -9.307 1.00 0.00 H new ATOM 0 HD13 ILE A 273 -4.519 -3.560 -8.293 1.00 0.00 H new ATOM 730 N SER A 274 -2.019 -8.864 -9.378 1.00 0.00 N ATOM 731 CA SER A 274 -1.384 -9.945 -8.637 1.00 0.00 C ATOM 732 C SER A 274 0.075 -10.106 -9.055 1.00 0.00 C ATOM 733 O SER A 274 0.874 -10.705 -8.336 1.00 0.00 O ATOM 734 CB SER A 274 -2.139 -11.257 -8.864 1.00 0.00 C ATOM 735 OG SER A 274 -2.018 -12.116 -7.744 1.00 0.00 O ATOM 0 H SER A 274 -2.880 -9.130 -9.855 1.00 0.00 H new ATOM 0 HA SER A 274 -1.414 -9.694 -7.577 1.00 0.00 H new ATOM 0 HB2 SER A 274 -3.192 -11.046 -9.052 1.00 0.00 H new ATOM 0 HB3 SER A 274 -1.750 -11.755 -9.752 1.00 0.00 H new ATOM 0 HG SER A 274 -2.510 -12.946 -7.914 1.00 0.00 H new ATOM 741 N ARG A 275 0.417 -9.565 -10.222 1.00 0.00 N ATOM 742 CA ARG A 275 1.782 -9.651 -10.729 1.00 0.00 C ATOM 743 C ARG A 275 2.778 -9.131 -9.698 1.00 0.00 C ATOM 744 O ARG A 275 3.544 -9.901 -9.118 1.00 0.00 O ATOM 745 CB ARG A 275 1.920 -8.854 -12.031 1.00 0.00 C ATOM 746 CG ARG A 275 1.107 -9.410 -13.195 1.00 0.00 C ATOM 747 CD ARG A 275 0.754 -10.876 -12.997 1.00 0.00 C ATOM 748 NE ARG A 275 1.941 -11.724 -12.951 1.00 0.00 N ATOM 749 CZ ARG A 275 1.897 -13.049 -12.876 1.00 0.00 C ATOM 750 NH1 ARG A 275 0.728 -13.674 -12.836 1.00 0.00 N ATOM 751 NH2 ARG A 275 3.021 -13.752 -12.840 1.00 0.00 N ATOM 0 H ARG A 275 -0.230 -9.065 -10.831 1.00 0.00 H new ATOM 0 HA ARG A 275 2.002 -10.700 -10.928 1.00 0.00 H new ATOM 0 HB2 ARG A 275 1.613 -7.824 -11.847 1.00 0.00 H new ATOM 0 HB3 ARG A 275 2.971 -8.827 -12.317 1.00 0.00 H new ATOM 0 HG2 ARG A 275 0.192 -8.829 -13.308 1.00 0.00 H new ATOM 0 HG3 ARG A 275 1.673 -9.295 -14.119 1.00 0.00 H new ATOM 0 HD2 ARG A 275 0.190 -10.991 -12.071 1.00 0.00 H new ATOM 0 HD3 ARG A 275 0.105 -11.205 -13.808 1.00 0.00 H new ATOM 0 HE ARG A 275 2.856 -11.274 -12.978 1.00 0.00 H new ATOM 0 HH11 ARG A 275 -0.139 -13.137 -12.863 1.00 0.00 H new ATOM 0 HH12 ARG A 275 0.696 -14.692 -12.778 1.00 0.00 H new ATOM 0 HH21 ARG A 275 3.922 -13.275 -12.870 1.00 0.00 H new ATOM 0 HH22 ARG A 275 2.984 -14.770 -12.782 1.00 0.00 H new ATOM 765 N HIS A 276 2.761 -7.823 -9.472 1.00 0.00 N ATOM 766 CA HIS A 276 3.663 -7.203 -8.508 1.00 0.00 C ATOM 767 C HIS A 276 3.005 -7.100 -7.136 1.00 0.00 C ATOM 768 O HIS A 276 3.192 -6.117 -6.420 1.00 0.00 O ATOM 769 CB HIS A 276 4.081 -5.813 -8.990 1.00 0.00 C ATOM 770 CG HIS A 276 5.563 -5.609 -9.012 1.00 0.00 C ATOM 771 ND1 HIS A 276 6.446 -6.547 -9.507 1.00 0.00 N ATOM 772 CD2 HIS A 276 6.321 -4.566 -8.596 1.00 0.00 C ATOM 773 CE1 HIS A 276 7.680 -6.089 -9.395 1.00 0.00 C ATOM 774 NE2 HIS A 276 7.632 -4.890 -8.845 1.00 0.00 N ATOM 0 H HIS A 276 2.133 -7.171 -9.943 1.00 0.00 H new ATOM 0 HA HIS A 276 4.549 -7.832 -8.421 1.00 0.00 H new ATOM 0 HB2 HIS A 276 3.685 -5.651 -9.992 1.00 0.00 H new ATOM 0 HB3 HIS A 276 3.628 -5.062 -8.343 1.00 0.00 H new ATOM 0 HD1 HIS A 276 6.186 -7.452 -9.898 1.00 0.00 H new ATOM 0 HD2 HIS A 276 5.961 -3.650 -8.151 1.00 0.00 H new ATOM 0 HE1 HIS A 276 8.576 -6.608 -9.702 1.00 0.00 H new ATOM 783 N GLN A 277 2.235 -8.121 -6.776 1.00 0.00 N ATOM 784 CA GLN A 277 1.550 -8.145 -5.489 1.00 0.00 C ATOM 785 C GLN A 277 2.551 -8.079 -4.339 1.00 0.00 C ATOM 786 O GLN A 277 2.604 -7.091 -3.605 1.00 0.00 O ATOM 787 CB GLN A 277 0.696 -9.408 -5.365 1.00 0.00 C ATOM 788 CG GLN A 277 -0.424 -9.286 -4.345 1.00 0.00 C ATOM 789 CD GLN A 277 -0.248 -10.231 -3.173 1.00 0.00 C ATOM 790 OE1 GLN A 277 -0.657 -11.391 -3.228 1.00 0.00 O ATOM 791 NE2 GLN A 277 0.364 -9.738 -2.102 1.00 0.00 N ATOM 0 H GLN A 277 2.070 -8.943 -7.357 1.00 0.00 H new ATOM 0 HA GLN A 277 0.902 -7.270 -5.434 1.00 0.00 H new ATOM 0 HB2 GLN A 277 0.266 -9.643 -6.339 1.00 0.00 H new ATOM 0 HB3 GLN A 277 1.338 -10.245 -5.090 1.00 0.00 H new ATOM 0 HG2 GLN A 277 -0.466 -8.261 -3.978 1.00 0.00 H new ATOM 0 HG3 GLN A 277 -1.378 -9.490 -4.832 1.00 0.00 H new ATOM 0 HE21 GLN A 277 0.687 -8.771 -2.099 1.00 0.00 H new ATOM 0 HE22 GLN A 277 0.511 -10.327 -1.282 1.00 0.00 H new ATOM 800 N GLU A 278 3.344 -9.136 -4.190 1.00 0.00 N ATOM 801 CA GLU A 278 4.343 -9.195 -3.130 1.00 0.00 C ATOM 802 C GLU A 278 5.115 -7.884 -3.041 1.00 0.00 C ATOM 803 O GLU A 278 5.357 -7.367 -1.951 1.00 0.00 O ATOM 804 CB GLU A 278 5.310 -10.355 -3.376 1.00 0.00 C ATOM 805 CG GLU A 278 6.126 -10.208 -4.650 1.00 0.00 C ATOM 806 CD GLU A 278 7.239 -11.234 -4.751 1.00 0.00 C ATOM 807 OE1 GLU A 278 6.928 -12.441 -4.819 1.00 0.00 O ATOM 808 OE2 GLU A 278 8.420 -10.829 -4.761 1.00 0.00 O ATOM 0 H GLU A 278 3.314 -9.961 -4.789 1.00 0.00 H new ATOM 0 HA GLU A 278 3.826 -9.358 -2.184 1.00 0.00 H new ATOM 0 HB2 GLU A 278 5.989 -10.437 -2.527 1.00 0.00 H new ATOM 0 HB3 GLU A 278 4.744 -11.285 -3.423 1.00 0.00 H new ATOM 0 HG2 GLU A 278 5.467 -10.306 -5.513 1.00 0.00 H new ATOM 0 HG3 GLU A 278 6.555 -9.207 -4.689 1.00 0.00 H new ATOM 815 N GLN A 279 5.497 -7.351 -4.196 1.00 0.00 N ATOM 816 CA GLN A 279 6.239 -6.098 -4.254 1.00 0.00 C ATOM 817 C GLN A 279 5.351 -4.927 -3.850 1.00 0.00 C ATOM 818 O GLN A 279 5.712 -4.134 -2.980 1.00 0.00 O ATOM 819 CB GLN A 279 6.794 -5.872 -5.662 1.00 0.00 C ATOM 820 CG GLN A 279 8.164 -5.213 -5.675 1.00 0.00 C ATOM 821 CD GLN A 279 9.262 -6.142 -5.194 1.00 0.00 C ATOM 822 OE1 GLN A 279 9.433 -7.243 -5.717 1.00 0.00 O ATOM 823 NE2 GLN A 279 10.014 -5.700 -4.193 1.00 0.00 N ATOM 0 H GLN A 279 5.304 -7.768 -5.107 1.00 0.00 H new ATOM 0 HA GLN A 279 7.071 -6.162 -3.552 1.00 0.00 H new ATOM 0 HB2 GLN A 279 6.856 -6.830 -6.178 1.00 0.00 H new ATOM 0 HB3 GLN A 279 6.096 -5.252 -6.224 1.00 0.00 H new ATOM 0 HG2 GLN A 279 8.393 -4.879 -6.687 1.00 0.00 H new ATOM 0 HG3 GLN A 279 8.142 -4.325 -5.044 1.00 0.00 H new ATOM 0 HE21 GLN A 279 9.837 -4.780 -3.789 1.00 0.00 H new ATOM 0 HE22 GLN A 279 10.769 -6.280 -3.828 1.00 0.00 H new ATOM 832 N PHE A 280 4.184 -4.827 -4.481 1.00 0.00 N ATOM 833 CA PHE A 280 3.245 -3.755 -4.177 1.00 0.00 C ATOM 834 C PHE A 280 3.254 -3.452 -2.684 1.00 0.00 C ATOM 835 O PHE A 280 3.560 -2.334 -2.267 1.00 0.00 O ATOM 836 CB PHE A 280 1.833 -4.138 -4.627 1.00 0.00 C ATOM 837 CG PHE A 280 0.943 -2.956 -4.883 1.00 0.00 C ATOM 838 CD1 PHE A 280 0.920 -1.884 -4.006 1.00 0.00 C ATOM 839 CD2 PHE A 280 0.128 -2.918 -6.004 1.00 0.00 C ATOM 840 CE1 PHE A 280 0.102 -0.796 -4.240 1.00 0.00 C ATOM 841 CE2 PHE A 280 -0.693 -1.831 -6.244 1.00 0.00 C ATOM 842 CZ PHE A 280 -0.706 -0.770 -5.360 1.00 0.00 C ATOM 0 H PHE A 280 3.868 -5.474 -5.204 1.00 0.00 H new ATOM 0 HA PHE A 280 3.554 -2.861 -4.719 1.00 0.00 H new ATOM 0 HB2 PHE A 280 1.900 -4.736 -5.536 1.00 0.00 H new ATOM 0 HB3 PHE A 280 1.376 -4.768 -3.864 1.00 0.00 H new ATOM 0 HD1 PHE A 280 1.549 -1.899 -3.129 1.00 0.00 H new ATOM 0 HD2 PHE A 280 0.134 -3.746 -6.697 1.00 0.00 H new ATOM 0 HE1 PHE A 280 0.094 0.033 -3.548 1.00 0.00 H new ATOM 0 HE2 PHE A 280 -1.323 -1.812 -7.121 1.00 0.00 H new ATOM 0 HZ PHE A 280 -1.347 0.079 -5.544 1.00 0.00 H new ATOM 852 N ILE A 281 2.931 -4.460 -1.882 1.00 0.00 N ATOM 853 CA ILE A 281 2.918 -4.306 -0.434 1.00 0.00 C ATOM 854 C ILE A 281 4.335 -4.136 0.098 1.00 0.00 C ATOM 855 O ILE A 281 4.558 -3.458 1.102 1.00 0.00 O ATOM 856 CB ILE A 281 2.261 -5.514 0.261 1.00 0.00 C ATOM 857 CG1 ILE A 281 1.176 -6.123 -0.629 1.00 0.00 C ATOM 858 CG2 ILE A 281 1.679 -5.099 1.604 1.00 0.00 C ATOM 859 CD1 ILE A 281 0.211 -5.102 -1.191 1.00 0.00 C ATOM 0 H ILE A 281 2.675 -5.391 -2.210 1.00 0.00 H new ATOM 0 HA ILE A 281 2.331 -3.415 -0.212 1.00 0.00 H new ATOM 0 HB ILE A 281 3.026 -6.271 0.434 1.00 0.00 H new ATOM 0 HG12 ILE A 281 1.650 -6.655 -1.454 1.00 0.00 H new ATOM 0 HG13 ILE A 281 0.617 -6.861 -0.053 1.00 0.00 H new ATOM 0 HG21 ILE A 281 1.218 -5.963 2.083 1.00 0.00 H new ATOM 0 HG22 ILE A 281 2.474 -4.712 2.241 1.00 0.00 H new ATOM 0 HG23 ILE A 281 0.927 -4.325 1.451 1.00 0.00 H new ATOM 0 HD11 ILE A 281 -0.530 -5.605 -1.812 1.00 0.00 H new ATOM 0 HD12 ILE A 281 -0.291 -4.587 -0.372 1.00 0.00 H new ATOM 0 HD13 ILE A 281 0.758 -4.378 -1.794 1.00 0.00 H new ATOM 871 N GLN A 282 5.291 -4.756 -0.586 1.00 0.00 N ATOM 872 CA GLN A 282 6.692 -4.677 -0.192 1.00 0.00 C ATOM 873 C GLN A 282 7.123 -3.225 -0.016 1.00 0.00 C ATOM 874 O GLN A 282 7.689 -2.854 1.013 1.00 0.00 O ATOM 875 CB GLN A 282 7.578 -5.361 -1.235 1.00 0.00 C ATOM 876 CG GLN A 282 8.973 -5.689 -0.728 1.00 0.00 C ATOM 877 CD GLN A 282 9.191 -7.177 -0.542 1.00 0.00 C ATOM 878 OE1 GLN A 282 8.241 -7.960 -0.538 1.00 0.00 O ATOM 879 NE2 GLN A 282 10.448 -7.576 -0.386 1.00 0.00 N ATOM 0 H GLN A 282 5.120 -5.320 -1.418 1.00 0.00 H new ATOM 0 HA GLN A 282 6.805 -5.191 0.762 1.00 0.00 H new ATOM 0 HB2 GLN A 282 7.094 -6.281 -1.563 1.00 0.00 H new ATOM 0 HB3 GLN A 282 7.661 -4.715 -2.109 1.00 0.00 H new ATOM 0 HG2 GLN A 282 9.711 -5.303 -1.431 1.00 0.00 H new ATOM 0 HG3 GLN A 282 9.140 -5.180 0.221 1.00 0.00 H new ATOM 0 HE21 GLN A 282 11.205 -6.892 -0.396 1.00 0.00 H new ATOM 0 HE22 GLN A 282 10.656 -8.566 -0.256 1.00 0.00 H new ATOM 888 N MET A 283 6.851 -2.409 -1.028 1.00 0.00 N ATOM 889 CA MET A 283 7.207 -0.995 -0.989 1.00 0.00 C ATOM 890 C MET A 283 6.246 -0.219 -0.097 1.00 0.00 C ATOM 891 O MET A 283 6.641 0.728 0.583 1.00 0.00 O ATOM 892 CB MET A 283 7.197 -0.407 -2.402 1.00 0.00 C ATOM 893 CG MET A 283 5.868 -0.571 -3.120 1.00 0.00 C ATOM 894 SD MET A 283 4.681 0.717 -2.690 1.00 0.00 S ATOM 895 CE MET A 283 3.159 -0.010 -3.291 1.00 0.00 C ATOM 0 H MET A 283 6.385 -2.702 -1.886 1.00 0.00 H new ATOM 0 HA MET A 283 8.211 -0.909 -0.574 1.00 0.00 H new ATOM 0 HB2 MET A 283 7.442 0.654 -2.347 1.00 0.00 H new ATOM 0 HB3 MET A 283 7.980 -0.885 -2.991 1.00 0.00 H new ATOM 0 HG2 MET A 283 6.037 -0.558 -4.197 1.00 0.00 H new ATOM 0 HG3 MET A 283 5.445 -1.545 -2.875 1.00 0.00 H new ATOM 0 HE1 MET A 283 2.571 0.750 -3.806 1.00 0.00 H new ATOM 0 HE2 MET A 283 3.391 -0.820 -3.983 1.00 0.00 H new ATOM 0 HE3 MET A 283 2.587 -0.403 -2.451 1.00 0.00 H new ATOM 905 N LEU A 284 4.982 -0.629 -0.105 1.00 0.00 N ATOM 906 CA LEU A 284 3.961 0.025 0.702 1.00 0.00 C ATOM 907 C LEU A 284 4.466 0.270 2.120 1.00 0.00 C ATOM 908 O LEU A 284 4.140 1.282 2.740 1.00 0.00 O ATOM 909 CB LEU A 284 2.690 -0.826 0.738 1.00 0.00 C ATOM 910 CG LEU A 284 1.389 -0.037 0.884 1.00 0.00 C ATOM 911 CD1 LEU A 284 1.270 0.539 2.286 1.00 0.00 C ATOM 912 CD2 LEU A 284 1.319 1.070 -0.158 1.00 0.00 C ATOM 0 H LEU A 284 4.641 -1.412 -0.662 1.00 0.00 H new ATOM 0 HA LEU A 284 3.731 0.988 0.247 1.00 0.00 H new ATOM 0 HB2 LEU A 284 2.639 -1.415 -0.178 1.00 0.00 H new ATOM 0 HB3 LEU A 284 2.765 -1.530 1.567 1.00 0.00 H new ATOM 0 HG LEU A 284 0.552 -0.716 0.721 1.00 0.00 H new ATOM 0 HD11 LEU A 284 0.338 1.098 2.372 1.00 0.00 H new ATOM 0 HD12 LEU A 284 1.276 -0.272 3.014 1.00 0.00 H new ATOM 0 HD13 LEU A 284 2.111 1.205 2.478 1.00 0.00 H new ATOM 0 HD21 LEU A 284 0.387 1.622 -0.040 1.00 0.00 H new ATOM 0 HD22 LEU A 284 2.162 1.748 -0.025 1.00 0.00 H new ATOM 0 HD23 LEU A 284 1.359 0.633 -1.156 1.00 0.00 H new ATOM 924 N ASN A 285 5.266 -0.663 2.625 1.00 0.00 N ATOM 925 CA ASN A 285 5.821 -0.546 3.967 1.00 0.00 C ATOM 926 C ASN A 285 7.163 0.176 3.934 1.00 0.00 C ATOM 927 O ASN A 285 8.069 -0.146 4.703 1.00 0.00 O ATOM 928 CB ASN A 285 5.986 -1.932 4.596 1.00 0.00 C ATOM 929 CG ASN A 285 7.090 -2.736 3.937 1.00 0.00 C ATOM 930 OD1 ASN A 285 7.979 -2.181 3.292 1.00 0.00 O ATOM 931 ND2 ASN A 285 7.037 -4.054 4.095 1.00 0.00 N ATOM 0 H ASN A 285 5.544 -1.508 2.125 1.00 0.00 H new ATOM 0 HA ASN A 285 5.129 0.038 4.574 1.00 0.00 H new ATOM 0 HB2 ASN A 285 6.204 -1.823 5.658 1.00 0.00 H new ATOM 0 HB3 ASN A 285 5.046 -2.478 4.518 1.00 0.00 H new ATOM 0 HD21 ASN A 285 7.752 -4.647 3.673 1.00 0.00 H new ATOM 0 HD22 ASN A 285 6.282 -4.473 4.638 1.00 0.00 H new ATOM 938 N GLU A 286 7.278 1.150 3.034 1.00 0.00 N ATOM 939 CA GLU A 286 8.506 1.928 2.884 1.00 0.00 C ATOM 940 C GLU A 286 9.246 2.057 4.212 1.00 0.00 C ATOM 941 O GLU A 286 8.995 2.980 4.988 1.00 0.00 O ATOM 942 CB GLU A 286 8.184 3.317 2.330 1.00 0.00 C ATOM 943 CG GLU A 286 9.285 4.338 2.566 1.00 0.00 C ATOM 944 CD GLU A 286 10.654 3.820 2.171 1.00 0.00 C ATOM 945 OE1 GLU A 286 11.258 3.070 2.968 1.00 0.00 O ATOM 946 OE2 GLU A 286 11.123 4.163 1.066 1.00 0.00 O ATOM 0 H GLU A 286 6.531 1.420 2.394 1.00 0.00 H new ATOM 0 HA GLU A 286 9.154 1.401 2.184 1.00 0.00 H new ATOM 0 HB2 GLU A 286 7.998 3.237 1.259 1.00 0.00 H new ATOM 0 HB3 GLU A 286 7.263 3.677 2.788 1.00 0.00 H new ATOM 0 HG2 GLU A 286 9.065 5.242 1.998 1.00 0.00 H new ATOM 0 HG3 GLU A 286 9.296 4.618 3.619 1.00 0.00 H new