USER MOD reduce.3.24.130724 H: found=0, std=0, add=461, rem=0, adj=6 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 282 GLN :FLIP amide:sc= 0.341 F(o=-0.47,f=0.24) USER MOD Set 1.2: A 283 MET CE :methyl 179:sc= -0.0987 (180deg=0) USER MOD Set 2.1: A 276 HIS :FLIP no HD1:sc= -3.86! C(o=-5.7!,f=-4.7!) USER MOD Set 2.2: A 279 GLN :FLIP amide:sc= -0.854 F(o=-7.1,f=-4.7) USER MOD Set 3.1: A 240 GLN : amide:sc= -11.1! C(o=-13!,f=-12!) USER MOD Set 3.2: A 244 MET CE :methyl 146:sc= -1.45 (180deg=-5.63!) USER MOD Single : A 238 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 242 GLN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 243 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 246 GLN : amide:sc= -1.13 K(o=-1.1,f=-2.8!) USER MOD Single : A 249 GLN : amide:sc= -2.2 K(o=-2.2,f=-6.3!) USER MOD Single : A 250 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 X(o=0,f=0) USER MOD Single : A 261 GLN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 264 GLN : amide:sc= -0.21 K(o=-0.21,f=-2.6!) USER MOD Single : A 266 ASN : amide:sc= -0.177 X(o=-0.18,f=-0.49) USER MOD Single : A 268 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 271 GLN : amide:sc= -0.0501 K(o=-0.05,f=-1.5!) USER MOD Single : A 272 GLN : amide:sc= -0.262 K(o=-0.26,f=-1.9!) USER MOD Single : A 274 SER OG : rot 18:sc= 0.618! USER MOD Single : A 277 GLN : amide:sc= -0.0386 K(o=-0.039,f=-1.8!) USER MOD Single : A 285 ASN : amide:sc= -1.39 K(o=-1.4,f=-4.7!) USER MOD ----------------------------------------------------------------- ATOM 29 N LEU A 232 0.107 -4.165 -14.196 1.00 0.00 N ATOM 30 CA LEU A 232 0.785 -3.216 -13.326 1.00 0.00 C ATOM 31 C LEU A 232 1.862 -2.472 -14.100 1.00 0.00 C ATOM 32 O LEU A 232 2.752 -1.854 -13.516 1.00 0.00 O ATOM 33 CB LEU A 232 1.397 -3.934 -12.123 1.00 0.00 C ATOM 34 CG LEU A 232 0.415 -4.259 -10.995 1.00 0.00 C ATOM 35 CD1 LEU A 232 1.166 -4.590 -9.715 1.00 0.00 C ATOM 36 CD2 LEU A 232 -0.540 -3.095 -10.769 1.00 0.00 C ATOM 0 HA LEU A 232 0.053 -2.495 -12.961 1.00 0.00 H new ATOM 0 HB2 LEU A 232 1.853 -4.863 -12.466 1.00 0.00 H new ATOM 0 HB3 LEU A 232 2.199 -3.316 -11.719 1.00 0.00 H new ATOM 0 HG LEU A 232 -0.169 -5.132 -11.286 1.00 0.00 H new ATOM 0 HD11 LEU A 232 0.453 -4.819 -8.923 1.00 0.00 H new ATOM 0 HD12 LEU A 232 1.810 -5.453 -9.884 1.00 0.00 H new ATOM 0 HD13 LEU A 232 1.775 -3.736 -9.419 1.00 0.00 H new ATOM 0 HD21 LEU A 232 -1.231 -3.343 -9.964 1.00 0.00 H new ATOM 0 HD22 LEU A 232 0.028 -2.205 -10.498 1.00 0.00 H new ATOM 0 HD23 LEU A 232 -1.102 -2.902 -11.683 1.00 0.00 H new ATOM 48 N GLU A 233 1.769 -2.533 -15.424 1.00 0.00 N ATOM 49 CA GLU A 233 2.729 -1.866 -16.291 1.00 0.00 C ATOM 50 C GLU A 233 2.803 -0.380 -15.962 1.00 0.00 C ATOM 51 O GLU A 233 3.876 0.153 -15.677 1.00 0.00 O ATOM 52 CB GLU A 233 2.340 -2.059 -17.758 1.00 0.00 C ATOM 53 CG GLU A 233 0.899 -1.677 -18.062 1.00 0.00 C ATOM 54 CD GLU A 233 0.436 -2.184 -19.413 1.00 0.00 C ATOM 55 OE1 GLU A 233 0.077 -3.376 -19.509 1.00 0.00 O ATOM 56 OE2 GLU A 233 0.430 -1.388 -20.375 1.00 0.00 O ATOM 0 H GLU A 233 1.036 -3.040 -15.920 1.00 0.00 H new ATOM 0 HA GLU A 233 3.711 -2.309 -16.124 1.00 0.00 H new ATOM 0 HB2 GLU A 233 3.005 -1.462 -18.383 1.00 0.00 H new ATOM 0 HB3 GLU A 233 2.496 -3.102 -18.032 1.00 0.00 H new ATOM 0 HG2 GLU A 233 0.249 -2.078 -17.285 1.00 0.00 H new ATOM 0 HG3 GLU A 233 0.800 -0.592 -18.032 1.00 0.00 H new ATOM 63 N PHE A 234 1.651 0.283 -15.994 1.00 0.00 N ATOM 64 CA PHE A 234 1.584 1.705 -15.688 1.00 0.00 C ATOM 65 C PHE A 234 1.762 1.936 -14.193 1.00 0.00 C ATOM 66 O PHE A 234 2.439 2.874 -13.774 1.00 0.00 O ATOM 67 CB PHE A 234 0.255 2.292 -16.162 1.00 0.00 C ATOM 68 CG PHE A 234 -0.860 2.108 -15.179 1.00 0.00 C ATOM 69 CD1 PHE A 234 -1.376 0.848 -14.927 1.00 0.00 C ATOM 70 CD2 PHE A 234 -1.388 3.194 -14.502 1.00 0.00 C ATOM 71 CE1 PHE A 234 -2.398 0.675 -14.018 1.00 0.00 C ATOM 72 CE2 PHE A 234 -2.412 3.028 -13.592 1.00 0.00 C ATOM 73 CZ PHE A 234 -2.916 1.766 -13.350 1.00 0.00 C ATOM 0 H PHE A 234 0.754 -0.142 -16.228 1.00 0.00 H new ATOM 0 HA PHE A 234 2.393 2.210 -16.216 1.00 0.00 H new ATOM 0 HB2 PHE A 234 0.385 3.356 -16.357 1.00 0.00 H new ATOM 0 HB3 PHE A 234 -0.023 1.826 -17.107 1.00 0.00 H new ATOM 0 HD1 PHE A 234 -0.974 -0.008 -15.448 1.00 0.00 H new ATOM 0 HD2 PHE A 234 -0.994 4.182 -14.688 1.00 0.00 H new ATOM 0 HE1 PHE A 234 -2.793 -0.312 -13.829 1.00 0.00 H new ATOM 0 HE2 PHE A 234 -2.818 3.883 -13.071 1.00 0.00 H new ATOM 0 HZ PHE A 234 -3.716 1.632 -12.637 1.00 0.00 H new ATOM 83 N LEU A 235 1.158 1.062 -13.394 1.00 0.00 N ATOM 84 CA LEU A 235 1.256 1.156 -11.943 1.00 0.00 C ATOM 85 C LEU A 235 2.703 0.981 -11.492 1.00 0.00 C ATOM 86 O LEU A 235 3.183 1.698 -10.615 1.00 0.00 O ATOM 87 CB LEU A 235 0.372 0.095 -11.285 1.00 0.00 C ATOM 88 CG LEU A 235 -0.759 0.639 -10.414 1.00 0.00 C ATOM 89 CD1 LEU A 235 -0.264 0.911 -9.004 1.00 0.00 C ATOM 90 CD2 LEU A 235 -1.337 1.902 -11.032 1.00 0.00 C ATOM 0 H LEU A 235 0.595 0.280 -13.728 1.00 0.00 H new ATOM 0 HA LEU A 235 0.913 2.144 -11.637 1.00 0.00 H new ATOM 0 HB2 LEU A 235 -0.061 -0.529 -12.066 1.00 0.00 H new ATOM 0 HB3 LEU A 235 1.002 -0.551 -10.673 1.00 0.00 H new ATOM 0 HG LEU A 235 -1.547 -0.112 -10.358 1.00 0.00 H new ATOM 0 HD11 LEU A 235 -1.084 1.298 -8.399 1.00 0.00 H new ATOM 0 HD12 LEU A 235 0.107 -0.015 -8.564 1.00 0.00 H new ATOM 0 HD13 LEU A 235 0.541 1.645 -9.036 1.00 0.00 H new ATOM 0 HD21 LEU A 235 -2.142 2.280 -10.402 1.00 0.00 H new ATOM 0 HD22 LEU A 235 -0.556 2.657 -11.114 1.00 0.00 H new ATOM 0 HD23 LEU A 235 -1.728 1.676 -12.024 1.00 0.00 H new ATOM 102 N ARG A 236 3.391 0.021 -12.103 1.00 0.00 N ATOM 103 CA ARG A 236 4.784 -0.252 -11.773 1.00 0.00 C ATOM 104 C ARG A 236 5.680 0.892 -12.232 1.00 0.00 C ATOM 105 O ARG A 236 6.676 1.213 -11.584 1.00 0.00 O ATOM 106 CB ARG A 236 5.237 -1.562 -12.416 1.00 0.00 C ATOM 107 CG ARG A 236 4.783 -2.800 -11.661 1.00 0.00 C ATOM 108 CD ARG A 236 4.638 -3.997 -12.588 1.00 0.00 C ATOM 109 NE ARG A 236 5.934 -4.519 -13.013 1.00 0.00 N ATOM 110 CZ ARG A 236 6.093 -5.345 -14.042 1.00 0.00 C ATOM 111 NH1 ARG A 236 5.043 -5.738 -14.748 1.00 0.00 N ATOM 112 NH2 ARG A 236 7.305 -5.777 -14.366 1.00 0.00 N ATOM 0 H ARG A 236 3.005 -0.581 -12.830 1.00 0.00 H new ATOM 0 HA ARG A 236 4.866 -0.344 -10.690 1.00 0.00 H new ATOM 0 HB2 ARG A 236 4.854 -1.608 -13.436 1.00 0.00 H new ATOM 0 HB3 ARG A 236 6.325 -1.567 -12.484 1.00 0.00 H new ATOM 0 HG2 ARG A 236 5.502 -3.032 -10.875 1.00 0.00 H new ATOM 0 HG3 ARG A 236 3.830 -2.600 -11.172 1.00 0.00 H new ATOM 0 HD2 ARG A 236 4.079 -4.783 -12.080 1.00 0.00 H new ATOM 0 HD3 ARG A 236 4.058 -3.709 -13.465 1.00 0.00 H new ATOM 0 HE ARG A 236 6.763 -4.234 -12.491 1.00 0.00 H new ATOM 0 HH11 ARG A 236 4.110 -5.407 -14.502 1.00 0.00 H new ATOM 0 HH12 ARG A 236 5.167 -6.372 -15.537 1.00 0.00 H new ATOM 0 HH21 ARG A 236 8.115 -5.475 -13.825 1.00 0.00 H new ATOM 0 HH22 ARG A 236 7.426 -6.411 -15.156 1.00 0.00 H new ATOM 126 N ASP A 237 5.315 1.505 -13.353 1.00 0.00 N ATOM 127 CA ASP A 237 6.085 2.617 -13.898 1.00 0.00 C ATOM 128 C ASP A 237 5.940 3.846 -13.010 1.00 0.00 C ATOM 129 O ASP A 237 6.907 4.569 -12.767 1.00 0.00 O ATOM 130 CB ASP A 237 5.624 2.938 -15.320 1.00 0.00 C ATOM 131 CG ASP A 237 6.758 3.433 -16.197 1.00 0.00 C ATOM 132 OD1 ASP A 237 7.748 2.690 -16.363 1.00 0.00 O ATOM 133 OD2 ASP A 237 6.656 4.565 -16.716 1.00 0.00 O ATOM 0 H ASP A 237 4.493 1.251 -13.901 1.00 0.00 H new ATOM 0 HA ASP A 237 7.136 2.328 -13.928 1.00 0.00 H new ATOM 0 HB2 ASP A 237 5.185 2.046 -15.767 1.00 0.00 H new ATOM 0 HB3 ASP A 237 4.840 3.694 -15.283 1.00 0.00 H new ATOM 138 N GLN A 238 4.726 4.070 -12.523 1.00 0.00 N ATOM 139 CA GLN A 238 4.448 5.206 -11.652 1.00 0.00 C ATOM 140 C GLN A 238 4.919 4.921 -10.230 1.00 0.00 C ATOM 141 O GLN A 238 4.957 3.769 -9.799 1.00 0.00 O ATOM 142 CB GLN A 238 2.952 5.523 -11.654 1.00 0.00 C ATOM 143 CG GLN A 238 2.644 7.011 -11.708 1.00 0.00 C ATOM 144 CD GLN A 238 1.487 7.333 -12.633 1.00 0.00 C ATOM 145 OE1 GLN A 238 1.683 7.855 -13.731 1.00 0.00 O ATOM 146 NE2 GLN A 238 0.273 7.023 -12.193 1.00 0.00 N ATOM 0 H GLN A 238 3.917 3.480 -12.716 1.00 0.00 H new ATOM 0 HA GLN A 238 4.993 6.070 -12.032 1.00 0.00 H new ATOM 0 HB2 GLN A 238 2.487 5.033 -12.509 1.00 0.00 H new ATOM 0 HB3 GLN A 238 2.498 5.099 -10.758 1.00 0.00 H new ATOM 0 HG2 GLN A 238 2.412 7.367 -10.704 1.00 0.00 H new ATOM 0 HG3 GLN A 238 3.531 7.550 -12.040 1.00 0.00 H new ATOM 0 HE21 GLN A 238 0.158 6.591 -11.276 1.00 0.00 H new ATOM 0 HE22 GLN A 238 -0.544 7.217 -12.772 1.00 0.00 H new ATOM 155 N PRO A 239 5.284 5.972 -9.481 1.00 0.00 N ATOM 156 CA PRO A 239 5.754 5.838 -8.103 1.00 0.00 C ATOM 157 C PRO A 239 4.607 5.720 -7.104 1.00 0.00 C ATOM 158 O PRO A 239 4.797 5.909 -5.902 1.00 0.00 O ATOM 159 CB PRO A 239 6.519 7.139 -7.886 1.00 0.00 C ATOM 160 CG PRO A 239 5.794 8.135 -8.725 1.00 0.00 C ATOM 161 CD PRO A 239 5.270 7.379 -9.923 1.00 0.00 C ATOM 0 HA PRO A 239 6.348 4.937 -7.952 1.00 0.00 H new ATOM 0 HB2 PRO A 239 6.520 7.429 -6.835 1.00 0.00 H new ATOM 0 HB3 PRO A 239 7.561 7.044 -8.192 1.00 0.00 H new ATOM 0 HG2 PRO A 239 4.977 8.593 -8.167 1.00 0.00 H new ATOM 0 HG3 PRO A 239 6.460 8.941 -9.034 1.00 0.00 H new ATOM 0 HD2 PRO A 239 4.265 7.704 -10.194 1.00 0.00 H new ATOM 0 HD3 PRO A 239 5.901 7.530 -10.799 1.00 0.00 H new ATOM 169 N GLN A 240 3.416 5.412 -7.609 1.00 0.00 N ATOM 170 CA GLN A 240 2.239 5.273 -6.760 1.00 0.00 C ATOM 171 C GLN A 240 2.574 4.513 -5.481 1.00 0.00 C ATOM 172 O GLN A 240 2.220 4.942 -4.384 1.00 0.00 O ATOM 173 CB GLN A 240 1.119 4.557 -7.517 1.00 0.00 C ATOM 174 CG GLN A 240 1.475 3.141 -7.934 1.00 0.00 C ATOM 175 CD GLN A 240 1.105 2.115 -6.880 1.00 0.00 C ATOM 176 OE1 GLN A 240 1.913 1.259 -6.520 1.00 0.00 O ATOM 177 NE2 GLN A 240 -0.123 2.196 -6.382 1.00 0.00 N ATOM 0 H GLN A 240 3.241 5.254 -8.601 1.00 0.00 H new ATOM 0 HA GLN A 240 1.901 6.272 -6.486 1.00 0.00 H new ATOM 0 HB2 GLN A 240 0.228 4.529 -6.889 1.00 0.00 H new ATOM 0 HB3 GLN A 240 0.865 5.135 -8.405 1.00 0.00 H new ATOM 0 HG2 GLN A 240 0.963 2.901 -8.866 1.00 0.00 H new ATOM 0 HG3 GLN A 240 2.545 3.083 -8.134 1.00 0.00 H new ATOM 0 HE21 GLN A 240 -0.760 2.922 -6.710 1.00 0.00 H new ATOM 0 HE22 GLN A 240 -0.430 1.532 -5.671 1.00 0.00 H new ATOM 186 N PHE A 241 3.258 3.381 -5.626 1.00 0.00 N ATOM 187 CA PHE A 241 3.637 2.569 -4.475 1.00 0.00 C ATOM 188 C PHE A 241 4.419 3.401 -3.465 1.00 0.00 C ATOM 189 O PHE A 241 4.151 3.349 -2.264 1.00 0.00 O ATOM 190 CB PHE A 241 4.469 1.365 -4.917 1.00 0.00 C ATOM 191 CG PHE A 241 5.288 1.623 -6.145 1.00 0.00 C ATOM 192 CD1 PHE A 241 6.550 2.186 -6.045 1.00 0.00 C ATOM 193 CD2 PHE A 241 4.798 1.304 -7.400 1.00 0.00 C ATOM 194 CE1 PHE A 241 7.306 2.427 -7.175 1.00 0.00 C ATOM 195 CE2 PHE A 241 5.548 1.543 -8.534 1.00 0.00 C ATOM 196 CZ PHE A 241 6.804 2.105 -8.420 1.00 0.00 C ATOM 0 H PHE A 241 3.560 3.007 -6.526 1.00 0.00 H new ATOM 0 HA PHE A 241 2.725 2.209 -3.999 1.00 0.00 H new ATOM 0 HB2 PHE A 241 5.132 1.073 -4.103 1.00 0.00 H new ATOM 0 HB3 PHE A 241 3.803 0.522 -5.104 1.00 0.00 H new ATOM 0 HD1 PHE A 241 6.947 2.439 -5.073 1.00 0.00 H new ATOM 0 HD2 PHE A 241 3.817 0.863 -7.493 1.00 0.00 H new ATOM 0 HE1 PHE A 241 8.288 2.867 -7.085 1.00 0.00 H new ATOM 0 HE2 PHE A 241 5.154 1.291 -9.507 1.00 0.00 H new ATOM 0 HZ PHE A 241 7.394 2.293 -9.305 1.00 0.00 H new ATOM 206 N GLN A 242 5.381 4.171 -3.960 1.00 0.00 N ATOM 207 CA GLN A 242 6.198 5.019 -3.100 1.00 0.00 C ATOM 208 C GLN A 242 5.390 6.213 -2.603 1.00 0.00 C ATOM 209 O GLN A 242 5.411 6.539 -1.416 1.00 0.00 O ATOM 210 CB GLN A 242 7.440 5.503 -3.852 1.00 0.00 C ATOM 211 CG GLN A 242 8.737 4.914 -3.322 1.00 0.00 C ATOM 212 CD GLN A 242 9.889 5.070 -4.295 1.00 0.00 C ATOM 213 OE1 GLN A 242 9.918 6.004 -5.097 1.00 0.00 O ATOM 214 NE2 GLN A 242 10.846 4.153 -4.229 1.00 0.00 N ATOM 0 H GLN A 242 5.614 4.226 -4.951 1.00 0.00 H new ATOM 0 HA GLN A 242 6.515 4.429 -2.240 1.00 0.00 H new ATOM 0 HB2 GLN A 242 7.339 5.248 -4.907 1.00 0.00 H new ATOM 0 HB3 GLN A 242 7.492 6.590 -3.790 1.00 0.00 H new ATOM 0 HG2 GLN A 242 8.994 5.399 -2.380 1.00 0.00 H new ATOM 0 HG3 GLN A 242 8.590 3.856 -3.106 1.00 0.00 H new ATOM 0 HE21 GLN A 242 10.781 3.396 -3.548 1.00 0.00 H new ATOM 0 HE22 GLN A 242 11.647 4.205 -4.859 1.00 0.00 H new ATOM 223 N ASN A 243 4.676 6.858 -3.519 1.00 0.00 N ATOM 224 CA ASN A 243 3.854 8.012 -3.175 1.00 0.00 C ATOM 225 C ASN A 243 2.878 7.661 -2.060 1.00 0.00 C ATOM 226 O ASN A 243 2.787 8.365 -1.053 1.00 0.00 O ATOM 227 CB ASN A 243 3.089 8.504 -4.405 1.00 0.00 C ATOM 228 CG ASN A 243 2.796 9.989 -4.349 1.00 0.00 C ATOM 229 OD1 ASN A 243 3.558 10.804 -4.870 1.00 0.00 O ATOM 230 ND2 ASN A 243 1.687 10.351 -3.714 1.00 0.00 N ATOM 0 H ASN A 243 4.650 6.601 -4.506 1.00 0.00 H new ATOM 0 HA ASN A 243 4.510 8.809 -2.825 1.00 0.00 H new ATOM 0 HB2 ASN A 243 3.669 8.285 -5.301 1.00 0.00 H new ATOM 0 HB3 ASN A 243 2.151 7.955 -4.490 1.00 0.00 H new ATOM 0 HD21 ASN A 243 1.438 11.338 -3.644 1.00 0.00 H new ATOM 0 HD22 ASN A 243 1.084 9.642 -3.297 1.00 0.00 H new ATOM 237 N MET A 244 2.153 6.564 -2.245 1.00 0.00 N ATOM 238 CA MET A 244 1.186 6.111 -1.255 1.00 0.00 C ATOM 239 C MET A 244 1.887 5.712 0.036 1.00 0.00 C ATOM 240 O MET A 244 1.737 6.367 1.067 1.00 0.00 O ATOM 241 CB MET A 244 0.390 4.922 -1.796 1.00 0.00 C ATOM 242 CG MET A 244 -0.536 5.282 -2.945 1.00 0.00 C ATOM 243 SD MET A 244 -0.614 3.992 -4.201 1.00 0.00 S ATOM 244 CE MET A 244 -0.484 2.525 -3.184 1.00 0.00 C ATOM 0 H MET A 244 2.217 5.972 -3.073 1.00 0.00 H new ATOM 0 HA MET A 244 0.503 6.934 -1.045 1.00 0.00 H new ATOM 0 HB2 MET A 244 1.085 4.151 -2.129 1.00 0.00 H new ATOM 0 HB3 MET A 244 -0.200 4.492 -0.986 1.00 0.00 H new ATOM 0 HG2 MET A 244 -1.537 5.466 -2.556 1.00 0.00 H new ATOM 0 HG3 MET A 244 -0.196 6.211 -3.404 1.00 0.00 H new ATOM 0 HE1 MET A 244 -1.079 1.724 -3.623 1.00 0.00 H new ATOM 0 HE2 MET A 244 0.559 2.213 -3.127 1.00 0.00 H new ATOM 0 HE3 MET A 244 -0.853 2.743 -2.182 1.00 0.00 H new ATOM 254 N ARG A 245 2.657 4.632 -0.031 1.00 0.00 N ATOM 255 CA ARG A 245 3.386 4.141 1.130 1.00 0.00 C ATOM 256 C ARG A 245 3.939 5.297 1.956 1.00 0.00 C ATOM 257 O ARG A 245 4.105 5.176 3.166 1.00 0.00 O ATOM 258 CB ARG A 245 4.526 3.217 0.691 1.00 0.00 C ATOM 259 CG ARG A 245 5.813 3.954 0.362 1.00 0.00 C ATOM 260 CD ARG A 245 6.863 3.020 -0.217 1.00 0.00 C ATOM 261 NE ARG A 245 8.097 3.724 -0.547 1.00 0.00 N ATOM 262 CZ ARG A 245 9.279 3.126 -0.665 1.00 0.00 C ATOM 263 NH1 ARG A 245 9.380 1.815 -0.489 1.00 0.00 N ATOM 264 NH2 ARG A 245 10.358 3.837 -0.961 1.00 0.00 N ATOM 0 H ARG A 245 2.792 4.080 -0.878 1.00 0.00 H new ATOM 0 HA ARG A 245 2.691 3.577 1.752 1.00 0.00 H new ATOM 0 HB2 ARG A 245 4.723 2.495 1.483 1.00 0.00 H new ATOM 0 HB3 ARG A 245 4.207 2.651 -0.184 1.00 0.00 H new ATOM 0 HG2 ARG A 245 5.603 4.752 -0.350 1.00 0.00 H new ATOM 0 HG3 ARG A 245 6.203 4.426 1.264 1.00 0.00 H new ATOM 0 HD2 ARG A 245 7.078 2.227 0.500 1.00 0.00 H new ATOM 0 HD3 ARG A 245 6.468 2.541 -1.113 1.00 0.00 H new ATOM 0 HE ARG A 245 8.051 4.732 -0.696 1.00 0.00 H new ATOM 0 HH11 ARG A 245 8.551 1.265 -0.263 1.00 0.00 H new ATOM 0 HH12 ARG A 245 10.287 1.357 -0.580 1.00 0.00 H new ATOM 0 HH21 ARG A 245 10.283 4.845 -1.099 1.00 0.00 H new ATOM 0 HH22 ARG A 245 11.264 3.376 -1.051 1.00 0.00 H new ATOM 278 N GLN A 246 4.222 6.417 1.295 1.00 0.00 N ATOM 279 CA GLN A 246 4.758 7.592 1.976 1.00 0.00 C ATOM 280 C GLN A 246 3.674 8.300 2.781 1.00 0.00 C ATOM 281 O GLN A 246 3.716 8.322 4.012 1.00 0.00 O ATOM 282 CB GLN A 246 5.371 8.560 0.962 1.00 0.00 C ATOM 283 CG GLN A 246 6.817 8.246 0.618 1.00 0.00 C ATOM 284 CD GLN A 246 7.700 8.152 1.847 1.00 0.00 C ATOM 285 OE1 GLN A 246 7.317 8.583 2.935 1.00 0.00 O ATOM 286 NE2 GLN A 246 8.888 7.585 1.680 1.00 0.00 N ATOM 0 H GLN A 246 4.089 6.535 0.291 1.00 0.00 H new ATOM 0 HA GLN A 246 5.534 7.257 2.664 1.00 0.00 H new ATOM 0 HB2 GLN A 246 4.777 8.540 0.049 1.00 0.00 H new ATOM 0 HB3 GLN A 246 5.313 9.574 1.359 1.00 0.00 H new ATOM 0 HG2 GLN A 246 6.860 7.304 0.071 1.00 0.00 H new ATOM 0 HG3 GLN A 246 7.205 9.019 -0.046 1.00 0.00 H new ATOM 0 HE21 GLN A 246 9.164 7.242 0.760 1.00 0.00 H new ATOM 0 HE22 GLN A 246 9.525 7.493 2.471 1.00 0.00 H new ATOM 295 N VAL A 247 2.701 8.878 2.084 1.00 0.00 N ATOM 296 CA VAL A 247 1.613 9.580 2.748 1.00 0.00 C ATOM 297 C VAL A 247 1.104 8.771 3.935 1.00 0.00 C ATOM 298 O VAL A 247 0.951 9.292 5.038 1.00 0.00 O ATOM 299 CB VAL A 247 0.447 9.858 1.779 1.00 0.00 C ATOM 300 CG1 VAL A 247 0.141 8.628 0.940 1.00 0.00 C ATOM 301 CG2 VAL A 247 -0.788 10.315 2.542 1.00 0.00 C ATOM 0 H VAL A 247 2.645 8.874 1.066 1.00 0.00 H new ATOM 0 HA VAL A 247 2.006 10.534 3.099 1.00 0.00 H new ATOM 0 HB VAL A 247 0.746 10.661 1.105 1.00 0.00 H new ATOM 0 HG11 VAL A 247 -0.685 8.846 0.263 1.00 0.00 H new ATOM 0 HG12 VAL A 247 1.023 8.354 0.361 1.00 0.00 H new ATOM 0 HG13 VAL A 247 -0.134 7.801 1.594 1.00 0.00 H new ATOM 0 HG21 VAL A 247 -1.600 10.506 1.840 1.00 0.00 H new ATOM 0 HG22 VAL A 247 -1.091 9.538 3.244 1.00 0.00 H new ATOM 0 HG23 VAL A 247 -0.560 11.229 3.090 1.00 0.00 H new ATOM 311 N ILE A 248 0.852 7.487 3.698 1.00 0.00 N ATOM 312 CA ILE A 248 0.369 6.595 4.740 1.00 0.00 C ATOM 313 C ILE A 248 1.488 6.239 5.717 1.00 0.00 C ATOM 314 O ILE A 248 1.238 6.019 6.901 1.00 0.00 O ATOM 315 CB ILE A 248 -0.230 5.300 4.149 1.00 0.00 C ATOM 316 CG1 ILE A 248 0.706 4.709 3.079 1.00 0.00 C ATOM 317 CG2 ILE A 248 -1.623 5.574 3.589 1.00 0.00 C ATOM 318 CD1 ILE A 248 0.045 4.455 1.736 1.00 0.00 C ATOM 0 H ILE A 248 0.976 7.042 2.788 1.00 0.00 H new ATOM 0 HA ILE A 248 -0.418 7.128 5.274 1.00 0.00 H new ATOM 0 HB ILE A 248 -0.327 4.559 4.943 1.00 0.00 H new ATOM 0 HG12 ILE A 248 1.546 5.388 2.934 1.00 0.00 H new ATOM 0 HG13 ILE A 248 1.116 3.770 3.451 1.00 0.00 H new ATOM 0 HG21 ILE A 248 -2.036 4.654 3.175 1.00 0.00 H new ATOM 0 HG22 ILE A 248 -2.271 5.936 4.387 1.00 0.00 H new ATOM 0 HG23 ILE A 248 -1.558 6.328 2.805 1.00 0.00 H new ATOM 0 HD11 ILE A 248 0.777 4.039 1.043 1.00 0.00 H new ATOM 0 HD12 ILE A 248 -0.777 3.750 1.862 1.00 0.00 H new ATOM 0 HD13 ILE A 248 -0.340 5.393 1.337 1.00 0.00 H new ATOM 330 N GLN A 249 2.725 6.197 5.220 1.00 0.00 N ATOM 331 CA GLN A 249 3.870 5.882 6.070 1.00 0.00 C ATOM 332 C GLN A 249 3.850 6.768 7.307 1.00 0.00 C ATOM 333 O GLN A 249 3.640 6.290 8.422 1.00 0.00 O ATOM 334 CB GLN A 249 5.186 6.060 5.298 1.00 0.00 C ATOM 335 CG GLN A 249 6.359 6.526 6.151 1.00 0.00 C ATOM 336 CD GLN A 249 6.720 5.537 7.242 1.00 0.00 C ATOM 337 OE1 GLN A 249 5.854 5.055 7.972 1.00 0.00 O ATOM 338 NE2 GLN A 249 8.008 5.231 7.360 1.00 0.00 N ATOM 0 H GLN A 249 2.957 6.375 4.243 1.00 0.00 H new ATOM 0 HA GLN A 249 3.802 4.839 6.380 1.00 0.00 H new ATOM 0 HB2 GLN A 249 5.448 5.112 4.828 1.00 0.00 H new ATOM 0 HB3 GLN A 249 5.028 6.780 4.495 1.00 0.00 H new ATOM 0 HG2 GLN A 249 7.227 6.687 5.511 1.00 0.00 H new ATOM 0 HG3 GLN A 249 6.114 7.487 6.604 1.00 0.00 H new ATOM 0 HE21 GLN A 249 8.692 5.654 6.733 1.00 0.00 H new ATOM 0 HE22 GLN A 249 8.312 4.573 8.077 1.00 0.00 H new ATOM 347 N GLN A 250 4.041 8.064 7.099 1.00 0.00 N ATOM 348 CA GLN A 250 4.013 9.014 8.198 1.00 0.00 C ATOM 349 C GLN A 250 2.574 9.210 8.648 1.00 0.00 C ATOM 350 O GLN A 250 2.254 9.080 9.829 1.00 0.00 O ATOM 351 CB GLN A 250 4.621 10.352 7.771 1.00 0.00 C ATOM 352 CG GLN A 250 5.976 10.217 7.095 1.00 0.00 C ATOM 353 CD GLN A 250 6.563 11.556 6.694 1.00 0.00 C ATOM 354 OE1 GLN A 250 6.401 12.003 5.558 1.00 0.00 O ATOM 355 NE2 GLN A 250 7.250 12.205 7.628 1.00 0.00 N ATOM 0 H GLN A 250 4.216 8.478 6.183 1.00 0.00 H new ATOM 0 HA GLN A 250 4.606 8.623 9.025 1.00 0.00 H new ATOM 0 HB2 GLN A 250 3.933 10.853 7.090 1.00 0.00 H new ATOM 0 HB3 GLN A 250 4.724 10.991 8.648 1.00 0.00 H new ATOM 0 HG2 GLN A 250 6.666 9.709 7.770 1.00 0.00 H new ATOM 0 HG3 GLN A 250 5.875 9.589 6.210 1.00 0.00 H new ATOM 0 HE21 GLN A 250 7.359 11.797 8.557 1.00 0.00 H new ATOM 0 HE22 GLN A 250 7.668 13.111 7.416 1.00 0.00 H new ATOM 364 N ASN A 251 1.710 9.504 7.682 1.00 0.00 N ATOM 365 CA ASN A 251 0.291 9.693 7.939 1.00 0.00 C ATOM 366 C ASN A 251 -0.509 8.437 7.583 1.00 0.00 C ATOM 367 O ASN A 251 -1.289 8.453 6.631 1.00 0.00 O ATOM 368 CB ASN A 251 -0.237 10.889 7.144 1.00 0.00 C ATOM 369 CG ASN A 251 0.637 12.117 7.299 1.00 0.00 C ATOM 370 OD1 ASN A 251 0.686 12.728 8.367 1.00 0.00 O ATOM 371 ND2 ASN A 251 1.333 12.488 6.231 1.00 0.00 N ATOM 0 H ASN A 251 1.974 9.617 6.703 1.00 0.00 H new ATOM 0 HA ASN A 251 0.167 9.886 9.005 1.00 0.00 H new ATOM 0 HB2 ASN A 251 -0.299 10.622 6.089 1.00 0.00 H new ATOM 0 HB3 ASN A 251 -1.249 11.123 7.474 1.00 0.00 H new ATOM 0 HD21 ASN A 251 1.938 13.308 6.276 1.00 0.00 H new ATOM 0 HD22 ASN A 251 1.263 11.953 5.365 1.00 0.00 H new ATOM 378 N PRO A 252 -0.342 7.329 8.330 1.00 0.00 N ATOM 379 CA PRO A 252 -1.072 6.079 8.061 1.00 0.00 C ATOM 380 C PRO A 252 -2.526 6.132 8.529 1.00 0.00 C ATOM 381 O PRO A 252 -3.112 5.105 8.871 1.00 0.00 O ATOM 382 CB PRO A 252 -0.300 5.053 8.885 1.00 0.00 C ATOM 383 CG PRO A 252 0.216 5.836 10.041 1.00 0.00 C ATOM 384 CD PRO A 252 0.561 7.192 9.488 1.00 0.00 C ATOM 0 HA PRO A 252 -1.124 5.860 6.994 1.00 0.00 H new ATOM 0 HB2 PRO A 252 -0.944 4.237 9.211 1.00 0.00 H new ATOM 0 HB3 PRO A 252 0.512 4.608 8.310 1.00 0.00 H new ATOM 0 HG2 PRO A 252 -0.534 5.913 10.829 1.00 0.00 H new ATOM 0 HG3 PRO A 252 1.091 5.357 10.480 1.00 0.00 H new ATOM 0 HD2 PRO A 252 0.394 7.980 10.223 1.00 0.00 H new ATOM 0 HD3 PRO A 252 1.608 7.250 9.190 1.00 0.00 H new ATOM 392 N ALA A 253 -3.101 7.329 8.550 1.00 0.00 N ATOM 393 CA ALA A 253 -4.481 7.507 8.987 1.00 0.00 C ATOM 394 C ALA A 253 -5.466 7.242 7.855 1.00 0.00 C ATOM 395 O ALA A 253 -6.575 6.758 8.084 1.00 0.00 O ATOM 396 CB ALA A 253 -4.694 8.904 9.550 1.00 0.00 C ATOM 0 H ALA A 253 -2.633 8.191 8.270 1.00 0.00 H new ATOM 0 HA ALA A 253 -4.668 6.778 9.775 1.00 0.00 H new ATOM 0 HB1 ALA A 253 -5.730 9.013 9.869 1.00 0.00 H new ATOM 0 HB2 ALA A 253 -4.033 9.057 10.403 1.00 0.00 H new ATOM 0 HB3 ALA A 253 -4.471 9.644 8.781 1.00 0.00 H new ATOM 402 N LEU A 254 -5.063 7.578 6.635 1.00 0.00 N ATOM 403 CA LEU A 254 -5.920 7.394 5.470 1.00 0.00 C ATOM 404 C LEU A 254 -5.892 5.954 4.971 1.00 0.00 C ATOM 405 O LEU A 254 -6.675 5.580 4.098 1.00 0.00 O ATOM 406 CB LEU A 254 -5.497 8.344 4.348 1.00 0.00 C ATOM 407 CG LEU A 254 -4.342 7.848 3.477 1.00 0.00 C ATOM 408 CD1 LEU A 254 -4.744 7.839 2.012 1.00 0.00 C ATOM 409 CD2 LEU A 254 -3.109 8.715 3.685 1.00 0.00 C ATOM 0 H LEU A 254 -4.149 7.979 6.427 1.00 0.00 H new ATOM 0 HA LEU A 254 -6.942 7.623 5.773 1.00 0.00 H new ATOM 0 HB2 LEU A 254 -6.359 8.532 3.708 1.00 0.00 H new ATOM 0 HB3 LEU A 254 -5.214 9.299 4.790 1.00 0.00 H new ATOM 0 HG LEU A 254 -4.101 6.827 3.774 1.00 0.00 H new ATOM 0 HD11 LEU A 254 -3.909 7.483 1.408 1.00 0.00 H new ATOM 0 HD12 LEU A 254 -5.600 7.178 1.874 1.00 0.00 H new ATOM 0 HD13 LEU A 254 -5.012 8.849 1.702 1.00 0.00 H new ATOM 0 HD21 LEU A 254 -2.296 8.348 3.058 1.00 0.00 H new ATOM 0 HD22 LEU A 254 -3.339 9.746 3.415 1.00 0.00 H new ATOM 0 HD23 LEU A 254 -2.807 8.673 4.731 1.00 0.00 H new ATOM 421 N LEU A 255 -4.989 5.144 5.518 1.00 0.00 N ATOM 422 CA LEU A 255 -4.884 3.750 5.098 1.00 0.00 C ATOM 423 C LEU A 255 -4.532 3.686 3.619 1.00 0.00 C ATOM 424 O LEU A 255 -5.131 4.393 2.810 1.00 0.00 O ATOM 425 CB LEU A 255 -6.220 3.029 5.348 1.00 0.00 C ATOM 426 CG LEU A 255 -6.261 1.528 5.008 1.00 0.00 C ATOM 427 CD1 LEU A 255 -5.908 1.281 3.549 1.00 0.00 C ATOM 428 CD2 LEU A 255 -5.335 0.747 5.924 1.00 0.00 C ATOM 0 H LEU A 255 -4.328 5.424 6.243 1.00 0.00 H new ATOM 0 HA LEU A 255 -4.100 3.259 5.675 1.00 0.00 H new ATOM 0 HB2 LEU A 255 -6.481 3.149 6.399 1.00 0.00 H new ATOM 0 HB3 LEU A 255 -6.994 3.532 4.768 1.00 0.00 H new ATOM 0 HG LEU A 255 -7.281 1.178 5.167 1.00 0.00 H new ATOM 0 HD11 LEU A 255 -5.946 0.212 3.341 1.00 0.00 H new ATOM 0 HD12 LEU A 255 -6.621 1.800 2.909 1.00 0.00 H new ATOM 0 HD13 LEU A 255 -4.903 1.654 3.350 1.00 0.00 H new ATOM 0 HD21 LEU A 255 -5.378 -0.312 5.668 1.00 0.00 H new ATOM 0 HD22 LEU A 255 -4.314 1.108 5.803 1.00 0.00 H new ATOM 0 HD23 LEU A 255 -5.648 0.883 6.959 1.00 0.00 H new ATOM 440 N PRO A 256 -3.560 2.840 3.240 1.00 0.00 N ATOM 441 CA PRO A 256 -3.150 2.688 1.839 1.00 0.00 C ATOM 442 C PRO A 256 -4.298 2.185 0.964 1.00 0.00 C ATOM 443 O PRO A 256 -4.186 1.148 0.311 1.00 0.00 O ATOM 444 CB PRO A 256 -2.027 1.645 1.897 1.00 0.00 C ATOM 445 CG PRO A 256 -2.220 0.940 3.196 1.00 0.00 C ATOM 446 CD PRO A 256 -2.790 1.963 4.135 1.00 0.00 C ATOM 0 HA PRO A 256 -2.838 3.635 1.400 1.00 0.00 H new ATOM 0 HB2 PRO A 256 -2.089 0.951 1.059 1.00 0.00 H new ATOM 0 HB3 PRO A 256 -1.046 2.118 1.847 1.00 0.00 H new ATOM 0 HG2 PRO A 256 -2.896 0.092 3.084 1.00 0.00 H new ATOM 0 HG3 PRO A 256 -1.275 0.547 3.572 1.00 0.00 H new ATOM 0 HD2 PRO A 256 -3.423 1.505 4.895 1.00 0.00 H new ATOM 0 HD3 PRO A 256 -2.007 2.510 4.660 1.00 0.00 H new ATOM 454 N ALA A 257 -5.399 2.931 0.961 1.00 0.00 N ATOM 455 CA ALA A 257 -6.571 2.574 0.176 1.00 0.00 C ATOM 456 C ALA A 257 -6.290 2.745 -1.306 1.00 0.00 C ATOM 457 O ALA A 257 -6.906 2.090 -2.144 1.00 0.00 O ATOM 458 CB ALA A 257 -7.776 3.409 0.584 1.00 0.00 C ATOM 0 H ALA A 257 -5.502 3.792 1.498 1.00 0.00 H new ATOM 0 HA ALA A 257 -6.801 1.526 0.371 1.00 0.00 H new ATOM 0 HB1 ALA A 257 -8.638 3.122 -0.018 1.00 0.00 H new ATOM 0 HB2 ALA A 257 -7.997 3.239 1.638 1.00 0.00 H new ATOM 0 HB3 ALA A 257 -7.558 4.465 0.425 1.00 0.00 H new ATOM 464 N LEU A 258 -5.355 3.632 -1.623 1.00 0.00 N ATOM 465 CA LEU A 258 -4.995 3.881 -3.010 1.00 0.00 C ATOM 466 C LEU A 258 -4.990 2.570 -3.789 1.00 0.00 C ATOM 467 O LEU A 258 -5.472 2.501 -4.922 1.00 0.00 O ATOM 468 CB LEU A 258 -3.627 4.559 -3.097 1.00 0.00 C ATOM 469 CG LEU A 258 -3.669 6.085 -3.207 1.00 0.00 C ATOM 470 CD1 LEU A 258 -4.754 6.520 -4.181 1.00 0.00 C ATOM 471 CD2 LEU A 258 -3.893 6.712 -1.839 1.00 0.00 C ATOM 0 H LEU A 258 -4.836 4.187 -0.942 1.00 0.00 H new ATOM 0 HA LEU A 258 -5.735 4.550 -3.449 1.00 0.00 H new ATOM 0 HB2 LEU A 258 -3.047 4.289 -2.214 1.00 0.00 H new ATOM 0 HB3 LEU A 258 -3.095 4.162 -3.962 1.00 0.00 H new ATOM 0 HG LEU A 258 -2.708 6.430 -3.589 1.00 0.00 H new ATOM 0 HD11 LEU A 258 -4.769 7.608 -4.246 1.00 0.00 H new ATOM 0 HD12 LEU A 258 -4.549 6.100 -5.166 1.00 0.00 H new ATOM 0 HD13 LEU A 258 -5.722 6.164 -3.830 1.00 0.00 H new ATOM 0 HD21 LEU A 258 -3.920 7.797 -1.936 1.00 0.00 H new ATOM 0 HD22 LEU A 258 -4.840 6.361 -1.428 1.00 0.00 H new ATOM 0 HD23 LEU A 258 -3.080 6.428 -1.171 1.00 0.00 H new ATOM 483 N LEU A 259 -4.462 1.526 -3.159 1.00 0.00 N ATOM 484 CA LEU A 259 -4.410 0.206 -3.773 1.00 0.00 C ATOM 485 C LEU A 259 -5.818 -0.363 -3.886 1.00 0.00 C ATOM 486 O LEU A 259 -6.197 -0.919 -4.917 1.00 0.00 O ATOM 487 CB LEU A 259 -3.518 -0.730 -2.949 1.00 0.00 C ATOM 488 CG LEU A 259 -3.965 -2.194 -2.907 1.00 0.00 C ATOM 489 CD1 LEU A 259 -5.156 -2.361 -1.975 1.00 0.00 C ATOM 490 CD2 LEU A 259 -4.306 -2.687 -4.305 1.00 0.00 C ATOM 0 H LEU A 259 -4.063 1.570 -2.221 1.00 0.00 H new ATOM 0 HA LEU A 259 -3.983 0.294 -4.772 1.00 0.00 H new ATOM 0 HB2 LEU A 259 -2.506 -0.688 -3.352 1.00 0.00 H new ATOM 0 HB3 LEU A 259 -3.470 -0.353 -1.927 1.00 0.00 H new ATOM 0 HG LEU A 259 -3.141 -2.795 -2.522 1.00 0.00 H new ATOM 0 HD11 LEU A 259 -5.460 -3.408 -1.957 1.00 0.00 H new ATOM 0 HD12 LEU A 259 -4.878 -2.047 -0.969 1.00 0.00 H new ATOM 0 HD13 LEU A 259 -5.985 -1.748 -2.330 1.00 0.00 H new ATOM 0 HD21 LEU A 259 -4.622 -3.729 -4.256 1.00 0.00 H new ATOM 0 HD22 LEU A 259 -5.114 -2.082 -4.717 1.00 0.00 H new ATOM 0 HD23 LEU A 259 -3.427 -2.604 -4.945 1.00 0.00 H new ATOM 502 N GLN A 260 -6.591 -0.207 -2.816 1.00 0.00 N ATOM 503 CA GLN A 260 -7.963 -0.691 -2.790 1.00 0.00 C ATOM 504 C GLN A 260 -8.766 -0.064 -3.922 1.00 0.00 C ATOM 505 O GLN A 260 -9.595 -0.722 -4.547 1.00 0.00 O ATOM 506 CB GLN A 260 -8.617 -0.372 -1.444 1.00 0.00 C ATOM 507 CG GLN A 260 -9.411 -1.531 -0.865 1.00 0.00 C ATOM 508 CD GLN A 260 -8.620 -2.331 0.150 1.00 0.00 C ATOM 509 OE1 GLN A 260 -8.129 -3.420 -0.146 1.00 0.00 O ATOM 510 NE2 GLN A 260 -8.492 -1.793 1.357 1.00 0.00 N ATOM 0 H GLN A 260 -6.289 0.251 -1.956 1.00 0.00 H new ATOM 0 HA GLN A 260 -7.950 -1.773 -2.925 1.00 0.00 H new ATOM 0 HB2 GLN A 260 -7.843 -0.081 -0.733 1.00 0.00 H new ATOM 0 HB3 GLN A 260 -9.278 0.486 -1.565 1.00 0.00 H new ATOM 0 HG2 GLN A 260 -10.316 -1.147 -0.394 1.00 0.00 H new ATOM 0 HG3 GLN A 260 -9.728 -2.189 -1.674 1.00 0.00 H new ATOM 0 HE21 GLN A 260 -8.916 -0.887 1.559 1.00 0.00 H new ATOM 0 HE22 GLN A 260 -7.970 -2.285 2.082 1.00 0.00 H new ATOM 519 N GLN A 261 -8.503 1.212 -4.187 1.00 0.00 N ATOM 520 CA GLN A 261 -9.189 1.927 -5.253 1.00 0.00 C ATOM 521 C GLN A 261 -8.755 1.388 -6.609 1.00 0.00 C ATOM 522 O GLN A 261 -9.548 1.314 -7.547 1.00 0.00 O ATOM 523 CB GLN A 261 -8.893 3.425 -5.166 1.00 0.00 C ATOM 524 CG GLN A 261 -9.818 4.176 -4.223 1.00 0.00 C ATOM 525 CD GLN A 261 -9.602 5.676 -4.269 1.00 0.00 C ATOM 526 OE1 GLN A 261 -9.535 6.273 -5.343 1.00 0.00 O ATOM 527 NE2 GLN A 261 -9.492 6.294 -3.097 1.00 0.00 N ATOM 0 H GLN A 261 -7.819 1.771 -3.677 1.00 0.00 H new ATOM 0 HA GLN A 261 -10.262 1.775 -5.138 1.00 0.00 H new ATOM 0 HB2 GLN A 261 -7.863 3.564 -4.838 1.00 0.00 H new ATOM 0 HB3 GLN A 261 -8.972 3.861 -6.162 1.00 0.00 H new ATOM 0 HG2 GLN A 261 -10.853 3.953 -4.481 1.00 0.00 H new ATOM 0 HG3 GLN A 261 -9.660 3.821 -3.205 1.00 0.00 H new ATOM 0 HE21 GLN A 261 -9.554 5.759 -2.231 1.00 0.00 H new ATOM 0 HE22 GLN A 261 -9.346 7.303 -3.064 1.00 0.00 H new ATOM 536 N LEU A 262 -7.485 1.007 -6.698 1.00 0.00 N ATOM 537 CA LEU A 262 -6.931 0.464 -7.932 1.00 0.00 C ATOM 538 C LEU A 262 -7.463 -0.943 -8.192 1.00 0.00 C ATOM 539 O LEU A 262 -7.927 -1.249 -9.289 1.00 0.00 O ATOM 540 CB LEU A 262 -5.405 0.443 -7.860 1.00 0.00 C ATOM 541 CG LEU A 262 -4.704 1.533 -8.672 1.00 0.00 C ATOM 542 CD1 LEU A 262 -4.455 1.061 -10.096 1.00 0.00 C ATOM 543 CD2 LEU A 262 -5.530 2.811 -8.669 1.00 0.00 C ATOM 0 H LEU A 262 -6.819 1.065 -5.928 1.00 0.00 H new ATOM 0 HA LEU A 262 -7.239 1.106 -8.757 1.00 0.00 H new ATOM 0 HB2 LEU A 262 -5.104 0.538 -6.817 1.00 0.00 H new ATOM 0 HB3 LEU A 262 -5.053 -0.529 -8.206 1.00 0.00 H new ATOM 0 HG LEU A 262 -3.741 1.744 -8.208 1.00 0.00 H new ATOM 0 HD11 LEU A 262 -3.956 1.850 -10.659 1.00 0.00 H new ATOM 0 HD12 LEU A 262 -3.825 0.172 -10.080 1.00 0.00 H new ATOM 0 HD13 LEU A 262 -5.406 0.823 -10.572 1.00 0.00 H new ATOM 0 HD21 LEU A 262 -5.017 3.577 -9.251 1.00 0.00 H new ATOM 0 HD22 LEU A 262 -6.507 2.614 -9.110 1.00 0.00 H new ATOM 0 HD23 LEU A 262 -5.658 3.159 -7.644 1.00 0.00 H new ATOM 555 N GLY A 263 -7.395 -1.796 -7.172 1.00 0.00 N ATOM 556 CA GLY A 263 -7.875 -3.160 -7.312 1.00 0.00 C ATOM 557 C GLY A 263 -9.388 -3.244 -7.332 1.00 0.00 C ATOM 558 O GLY A 263 -9.959 -4.146 -7.945 1.00 0.00 O ATOM 0 H GLY A 263 -7.017 -1.567 -6.253 1.00 0.00 H new ATOM 0 HA2 GLY A 263 -7.478 -3.589 -8.232 1.00 0.00 H new ATOM 0 HA3 GLY A 263 -7.492 -3.763 -6.489 1.00 0.00 H new ATOM 562 N GLN A 264 -10.038 -2.297 -6.666 1.00 0.00 N ATOM 563 CA GLN A 264 -11.495 -2.259 -6.617 1.00 0.00 C ATOM 564 C GLN A 264 -12.040 -1.586 -7.866 1.00 0.00 C ATOM 565 O GLN A 264 -13.003 -2.057 -8.472 1.00 0.00 O ATOM 566 CB GLN A 264 -11.972 -1.514 -5.368 1.00 0.00 C ATOM 567 CG GLN A 264 -11.626 -2.220 -4.068 1.00 0.00 C ATOM 568 CD GLN A 264 -12.773 -3.056 -3.534 1.00 0.00 C ATOM 569 OE1 GLN A 264 -13.923 -2.882 -3.938 1.00 0.00 O ATOM 570 NE2 GLN A 264 -12.466 -3.969 -2.621 1.00 0.00 N ATOM 0 H GLN A 264 -9.579 -1.545 -6.152 1.00 0.00 H new ATOM 0 HA GLN A 264 -11.867 -3.282 -6.572 1.00 0.00 H new ATOM 0 HB2 GLN A 264 -11.530 -0.518 -5.359 1.00 0.00 H new ATOM 0 HB3 GLN A 264 -13.053 -1.383 -5.424 1.00 0.00 H new ATOM 0 HG2 GLN A 264 -10.758 -2.860 -4.227 1.00 0.00 H new ATOM 0 HG3 GLN A 264 -11.343 -1.479 -3.321 1.00 0.00 H new ATOM 0 HE21 GLN A 264 -11.499 -4.079 -2.315 1.00 0.00 H new ATOM 0 HE22 GLN A 264 -13.197 -4.561 -2.225 1.00 0.00 H new ATOM 579 N GLU A 265 -11.404 -0.487 -8.254 1.00 0.00 N ATOM 580 CA GLU A 265 -11.805 0.250 -9.440 1.00 0.00 C ATOM 581 C GLU A 265 -12.226 -0.720 -10.534 1.00 0.00 C ATOM 582 O GLU A 265 -13.397 -0.788 -10.907 1.00 0.00 O ATOM 583 CB GLU A 265 -10.647 1.137 -9.919 1.00 0.00 C ATOM 584 CG GLU A 265 -10.568 1.304 -11.431 1.00 0.00 C ATOM 585 CD GLU A 265 -11.912 1.626 -12.054 1.00 0.00 C ATOM 586 OE1 GLU A 265 -12.375 2.776 -11.903 1.00 0.00 O ATOM 587 OE2 GLU A 265 -12.502 0.729 -12.691 1.00 0.00 O ATOM 0 H GLU A 265 -10.606 -0.088 -7.760 1.00 0.00 H new ATOM 0 HA GLU A 265 -12.654 0.889 -9.198 1.00 0.00 H new ATOM 0 HB2 GLU A 265 -10.746 2.121 -9.461 1.00 0.00 H new ATOM 0 HB3 GLU A 265 -9.708 0.712 -9.563 1.00 0.00 H new ATOM 0 HG2 GLU A 265 -9.862 2.100 -11.668 1.00 0.00 H new ATOM 0 HG3 GLU A 265 -10.177 0.388 -11.874 1.00 0.00 H new ATOM 594 N ASN A 266 -11.260 -1.476 -11.036 1.00 0.00 N ATOM 595 CA ASN A 266 -11.524 -2.454 -12.077 1.00 0.00 C ATOM 596 C ASN A 266 -11.550 -3.862 -11.493 1.00 0.00 C ATOM 597 O ASN A 266 -10.510 -4.400 -11.113 1.00 0.00 O ATOM 598 CB ASN A 266 -10.465 -2.362 -13.177 1.00 0.00 C ATOM 599 CG ASN A 266 -11.068 -2.107 -14.544 1.00 0.00 C ATOM 600 OD1 ASN A 266 -12.076 -1.412 -14.670 1.00 0.00 O ATOM 601 ND2 ASN A 266 -10.454 -2.671 -15.577 1.00 0.00 N ATOM 0 H ASN A 266 -10.286 -1.429 -10.738 1.00 0.00 H new ATOM 0 HA ASN A 266 -12.500 -2.237 -12.511 1.00 0.00 H new ATOM 0 HB2 ASN A 266 -9.765 -1.561 -12.937 1.00 0.00 H new ATOM 0 HB3 ASN A 266 -9.892 -3.289 -13.203 1.00 0.00 H new ATOM 0 HD21 ASN A 266 -10.816 -2.536 -16.521 1.00 0.00 H new ATOM 0 HD22 ASN A 266 -9.621 -3.240 -15.427 1.00 0.00 H new ATOM 608 N PRO A 267 -12.736 -4.484 -11.414 1.00 0.00 N ATOM 609 CA PRO A 267 -12.873 -5.836 -10.874 1.00 0.00 C ATOM 610 C PRO A 267 -11.925 -6.810 -11.560 1.00 0.00 C ATOM 611 O PRO A 267 -11.616 -7.877 -11.029 1.00 0.00 O ATOM 612 CB PRO A 267 -14.336 -6.210 -11.160 1.00 0.00 C ATOM 613 CG PRO A 267 -14.841 -5.168 -12.104 1.00 0.00 C ATOM 614 CD PRO A 267 -14.026 -3.934 -11.846 1.00 0.00 C ATOM 0 HA PRO A 267 -12.625 -5.880 -9.814 1.00 0.00 H new ATOM 0 HB2 PRO A 267 -14.407 -7.205 -11.600 1.00 0.00 H new ATOM 0 HB3 PRO A 267 -14.923 -6.225 -10.242 1.00 0.00 H new ATOM 0 HG2 PRO A 267 -14.734 -5.496 -13.138 1.00 0.00 H new ATOM 0 HG3 PRO A 267 -15.901 -4.975 -11.939 1.00 0.00 H new ATOM 0 HD2 PRO A 267 -13.925 -3.321 -12.741 1.00 0.00 H new ATOM 0 HD3 PRO A 267 -14.476 -3.305 -11.078 1.00 0.00 H new ATOM 622 N GLN A 268 -11.457 -6.423 -12.742 1.00 0.00 N ATOM 623 CA GLN A 268 -10.530 -7.246 -13.507 1.00 0.00 C ATOM 624 C GLN A 268 -9.092 -6.825 -13.232 1.00 0.00 C ATOM 625 O GLN A 268 -8.154 -7.589 -13.459 1.00 0.00 O ATOM 626 CB GLN A 268 -10.830 -7.135 -15.003 1.00 0.00 C ATOM 627 CG GLN A 268 -12.254 -7.516 -15.369 1.00 0.00 C ATOM 628 CD GLN A 268 -12.498 -7.492 -16.864 1.00 0.00 C ATOM 629 OE1 GLN A 268 -12.051 -8.377 -17.593 1.00 0.00 O ATOM 630 NE2 GLN A 268 -13.210 -6.472 -17.331 1.00 0.00 N ATOM 0 H GLN A 268 -11.706 -5.542 -13.191 1.00 0.00 H new ATOM 0 HA GLN A 268 -10.657 -8.284 -13.198 1.00 0.00 H new ATOM 0 HB2 GLN A 268 -10.642 -6.112 -15.327 1.00 0.00 H new ATOM 0 HB3 GLN A 268 -10.139 -7.775 -15.552 1.00 0.00 H new ATOM 0 HG2 GLN A 268 -12.469 -8.513 -14.986 1.00 0.00 H new ATOM 0 HG3 GLN A 268 -12.946 -6.830 -14.881 1.00 0.00 H new ATOM 0 HE21 GLN A 268 -13.562 -5.760 -16.691 1.00 0.00 H new ATOM 0 HE22 GLN A 268 -13.405 -6.401 -18.330 1.00 0.00 H new ATOM 639 N LEU A 269 -8.926 -5.599 -12.742 1.00 0.00 N ATOM 640 CA LEU A 269 -7.603 -5.071 -12.437 1.00 0.00 C ATOM 641 C LEU A 269 -6.930 -5.884 -11.338 1.00 0.00 C ATOM 642 O LEU A 269 -5.860 -6.452 -11.545 1.00 0.00 O ATOM 643 CB LEU A 269 -7.693 -3.605 -12.011 1.00 0.00 C ATOM 644 CG LEU A 269 -6.361 -2.973 -11.603 1.00 0.00 C ATOM 645 CD1 LEU A 269 -5.289 -3.276 -12.638 1.00 0.00 C ATOM 646 CD2 LEU A 269 -6.514 -1.472 -11.416 1.00 0.00 C ATOM 0 H LEU A 269 -9.692 -4.954 -12.548 1.00 0.00 H new ATOM 0 HA LEU A 269 -7.001 -5.143 -13.343 1.00 0.00 H new ATOM 0 HB2 LEU A 269 -8.116 -3.028 -12.833 1.00 0.00 H new ATOM 0 HB3 LEU A 269 -8.388 -3.526 -11.175 1.00 0.00 H new ATOM 0 HG LEU A 269 -6.053 -3.406 -10.651 1.00 0.00 H new ATOM 0 HD11 LEU A 269 -4.348 -2.819 -12.332 1.00 0.00 H new ATOM 0 HD12 LEU A 269 -5.158 -4.355 -12.721 1.00 0.00 H new ATOM 0 HD13 LEU A 269 -5.591 -2.872 -13.604 1.00 0.00 H new ATOM 0 HD21 LEU A 269 -5.555 -1.042 -11.126 1.00 0.00 H new ATOM 0 HD22 LEU A 269 -6.846 -1.021 -12.351 1.00 0.00 H new ATOM 0 HD23 LEU A 269 -7.250 -1.276 -10.637 1.00 0.00 H new ATOM 658 N LEU A 270 -7.561 -5.933 -10.169 1.00 0.00 N ATOM 659 CA LEU A 270 -7.016 -6.673 -9.035 1.00 0.00 C ATOM 660 C LEU A 270 -6.325 -7.952 -9.494 1.00 0.00 C ATOM 661 O LEU A 270 -5.152 -8.178 -9.191 1.00 0.00 O ATOM 662 CB LEU A 270 -8.128 -7.010 -8.039 1.00 0.00 C ATOM 663 CG LEU A 270 -7.723 -7.963 -6.914 1.00 0.00 C ATOM 664 CD1 LEU A 270 -7.154 -7.189 -5.735 1.00 0.00 C ATOM 665 CD2 LEU A 270 -8.912 -8.805 -6.476 1.00 0.00 C ATOM 0 H LEU A 270 -8.450 -5.469 -9.982 1.00 0.00 H new ATOM 0 HA LEU A 270 -6.275 -6.041 -8.546 1.00 0.00 H new ATOM 0 HB2 LEU A 270 -8.491 -6.083 -7.596 1.00 0.00 H new ATOM 0 HB3 LEU A 270 -8.962 -7.450 -8.585 1.00 0.00 H new ATOM 0 HG LEU A 270 -6.948 -8.630 -7.291 1.00 0.00 H new ATOM 0 HD11 LEU A 270 -6.872 -7.885 -4.945 1.00 0.00 H new ATOM 0 HD12 LEU A 270 -6.276 -6.630 -6.057 1.00 0.00 H new ATOM 0 HD13 LEU A 270 -7.906 -6.497 -5.357 1.00 0.00 H new ATOM 0 HD21 LEU A 270 -8.606 -9.478 -5.675 1.00 0.00 H new ATOM 0 HD22 LEU A 270 -9.708 -8.152 -6.118 1.00 0.00 H new ATOM 0 HD23 LEU A 270 -9.275 -9.389 -7.321 1.00 0.00 H new ATOM 677 N GLN A 271 -7.055 -8.786 -10.226 1.00 0.00 N ATOM 678 CA GLN A 271 -6.508 -10.042 -10.726 1.00 0.00 C ATOM 679 C GLN A 271 -5.067 -9.862 -11.192 1.00 0.00 C ATOM 680 O GLN A 271 -4.158 -10.538 -10.710 1.00 0.00 O ATOM 681 CB GLN A 271 -7.361 -10.572 -11.877 1.00 0.00 C ATOM 682 CG GLN A 271 -7.379 -12.089 -11.972 1.00 0.00 C ATOM 683 CD GLN A 271 -8.325 -12.723 -10.971 1.00 0.00 C ATOM 684 OE1 GLN A 271 -9.102 -12.033 -10.312 1.00 0.00 O ATOM 685 NE2 GLN A 271 -8.264 -14.044 -10.855 1.00 0.00 N ATOM 0 H GLN A 271 -8.026 -8.615 -10.486 1.00 0.00 H new ATOM 0 HA GLN A 271 -6.521 -10.763 -9.909 1.00 0.00 H new ATOM 0 HB2 GLN A 271 -8.383 -10.212 -11.757 1.00 0.00 H new ATOM 0 HB3 GLN A 271 -6.986 -10.162 -12.815 1.00 0.00 H new ATOM 0 HG2 GLN A 271 -7.672 -12.383 -12.980 1.00 0.00 H new ATOM 0 HG3 GLN A 271 -6.372 -12.472 -11.808 1.00 0.00 H new ATOM 0 HE21 GLN A 271 -7.604 -14.576 -11.422 1.00 0.00 H new ATOM 0 HE22 GLN A 271 -8.877 -14.527 -10.199 1.00 0.00 H new ATOM 694 N GLN A 272 -4.867 -8.949 -12.137 1.00 0.00 N ATOM 695 CA GLN A 272 -3.539 -8.682 -12.674 1.00 0.00 C ATOM 696 C GLN A 272 -2.691 -7.901 -11.675 1.00 0.00 C ATOM 697 O GLN A 272 -1.488 -8.128 -11.557 1.00 0.00 O ATOM 698 CB GLN A 272 -3.647 -7.910 -13.990 1.00 0.00 C ATOM 699 CG GLN A 272 -4.468 -8.626 -15.050 1.00 0.00 C ATOM 700 CD GLN A 272 -3.658 -8.962 -16.287 1.00 0.00 C ATOM 701 OE1 GLN A 272 -2.428 -8.987 -16.249 1.00 0.00 O ATOM 702 NE2 GLN A 272 -4.347 -9.222 -17.392 1.00 0.00 N ATOM 0 H GLN A 272 -5.609 -8.381 -12.547 1.00 0.00 H new ATOM 0 HA GLN A 272 -3.050 -9.638 -12.861 1.00 0.00 H new ATOM 0 HB2 GLN A 272 -4.093 -6.935 -13.794 1.00 0.00 H new ATOM 0 HB3 GLN A 272 -2.645 -7.730 -14.379 1.00 0.00 H new ATOM 0 HG2 GLN A 272 -4.878 -9.544 -14.628 1.00 0.00 H new ATOM 0 HG3 GLN A 272 -5.314 -8.000 -15.333 1.00 0.00 H new ATOM 0 HE21 GLN A 272 -5.366 -9.190 -17.377 1.00 0.00 H new ATOM 0 HE22 GLN A 272 -3.857 -9.454 -18.256 1.00 0.00 H new ATOM 711 N ILE A 273 -3.324 -6.981 -10.956 1.00 0.00 N ATOM 712 CA ILE A 273 -2.627 -6.173 -9.966 1.00 0.00 C ATOM 713 C ILE A 273 -1.767 -7.062 -9.069 1.00 0.00 C ATOM 714 O ILE A 273 -0.751 -6.622 -8.529 1.00 0.00 O ATOM 715 CB ILE A 273 -3.629 -5.329 -9.128 1.00 0.00 C ATOM 716 CG1 ILE A 273 -3.563 -3.865 -9.562 1.00 0.00 C ATOM 717 CG2 ILE A 273 -3.374 -5.445 -7.626 1.00 0.00 C ATOM 718 CD1 ILE A 273 -4.239 -2.915 -8.599 1.00 0.00 C ATOM 0 H ILE A 273 -4.320 -6.777 -11.041 1.00 0.00 H new ATOM 0 HA ILE A 273 -1.971 -5.477 -10.488 1.00 0.00 H new ATOM 0 HB ILE A 273 -4.627 -5.725 -9.315 1.00 0.00 H new ATOM 0 HG12 ILE A 273 -2.518 -3.575 -9.672 1.00 0.00 H new ATOM 0 HG13 ILE A 273 -4.027 -3.765 -10.543 1.00 0.00 H new ATOM 0 HG21 ILE A 273 -4.100 -4.837 -7.086 1.00 0.00 H new ATOM 0 HG22 ILE A 273 -3.473 -6.486 -7.320 1.00 0.00 H new ATOM 0 HG23 ILE A 273 -2.367 -5.094 -7.400 1.00 0.00 H new ATOM 0 HD11 ILE A 273 -4.152 -1.895 -8.973 1.00 0.00 H new ATOM 0 HD12 ILE A 273 -5.293 -3.179 -8.507 1.00 0.00 H new ATOM 0 HD13 ILE A 273 -3.761 -2.986 -7.622 1.00 0.00 H new ATOM 730 N SER A 274 -2.177 -8.318 -8.926 1.00 0.00 N ATOM 731 CA SER A 274 -1.442 -9.274 -8.108 1.00 0.00 C ATOM 732 C SER A 274 -0.119 -9.644 -8.776 1.00 0.00 C ATOM 733 O SER A 274 0.724 -10.313 -8.176 1.00 0.00 O ATOM 734 CB SER A 274 -2.279 -10.533 -7.876 1.00 0.00 C ATOM 735 OG SER A 274 -1.454 -11.678 -7.743 1.00 0.00 O ATOM 0 H SER A 274 -3.015 -8.697 -9.367 1.00 0.00 H new ATOM 0 HA SER A 274 -1.231 -8.809 -7.145 1.00 0.00 H new ATOM 0 HB2 SER A 274 -2.884 -10.411 -6.978 1.00 0.00 H new ATOM 0 HB3 SER A 274 -2.969 -10.673 -8.708 1.00 0.00 H new ATOM 0 HG SER A 274 -0.538 -11.399 -7.536 1.00 0.00 H new ATOM 741 N ARG A 275 0.054 -9.205 -10.019 1.00 0.00 N ATOM 742 CA ARG A 275 1.271 -9.486 -10.770 1.00 0.00 C ATOM 743 C ARG A 275 2.505 -9.049 -9.987 1.00 0.00 C ATOM 744 O ARG A 275 3.381 -9.860 -9.686 1.00 0.00 O ATOM 745 CB ARG A 275 1.236 -8.767 -12.122 1.00 0.00 C ATOM 746 CG ARG A 275 0.631 -9.595 -13.249 1.00 0.00 C ATOM 747 CD ARG A 275 -0.374 -10.611 -12.729 1.00 0.00 C ATOM 748 NE ARG A 275 -1.172 -11.191 -13.806 1.00 0.00 N ATOM 749 CZ ARG A 275 -0.677 -12.003 -14.734 1.00 0.00 C ATOM 750 NH1 ARG A 275 0.607 -12.337 -14.710 1.00 0.00 N ATOM 751 NH2 ARG A 275 -1.465 -12.484 -15.686 1.00 0.00 N ATOM 0 H ARG A 275 -0.636 -8.652 -10.528 1.00 0.00 H new ATOM 0 HA ARG A 275 1.326 -10.562 -10.935 1.00 0.00 H new ATOM 0 HB2 ARG A 275 0.666 -7.844 -12.016 1.00 0.00 H new ATOM 0 HB3 ARG A 275 2.252 -8.484 -12.398 1.00 0.00 H new ATOM 0 HG2 ARG A 275 0.142 -8.933 -13.964 1.00 0.00 H new ATOM 0 HG3 ARG A 275 1.426 -10.113 -13.786 1.00 0.00 H new ATOM 0 HD2 ARG A 275 0.153 -11.405 -12.200 1.00 0.00 H new ATOM 0 HD3 ARG A 275 -1.034 -10.131 -12.007 1.00 0.00 H new ATOM 0 HE ARG A 275 -2.165 -10.960 -13.848 1.00 0.00 H new ATOM 0 HH11 ARG A 275 1.216 -11.970 -13.978 1.00 0.00 H new ATOM 0 HH12 ARG A 275 0.985 -12.960 -15.423 1.00 0.00 H new ATOM 0 HH21 ARG A 275 -2.453 -12.231 -15.707 1.00 0.00 H new ATOM 0 HH22 ARG A 275 -1.083 -13.107 -16.398 1.00 0.00 H new ATOM 765 N HIS A 276 2.566 -7.762 -9.660 1.00 0.00 N ATOM 766 CA HIS A 276 3.692 -7.216 -8.912 1.00 0.00 C ATOM 767 C HIS A 276 3.330 -7.028 -7.442 1.00 0.00 C ATOM 768 O HIS A 276 4.024 -6.326 -6.707 1.00 0.00 O ATOM 769 CB HIS A 276 4.129 -5.879 -9.515 1.00 0.00 C ATOM 770 CG HIS A 276 5.611 -5.754 -9.681 1.00 0.00 C ATOM 771 ND1 HIS A 276 6.470 -4.790 -9.272 1.00 0.00 N flip ATOM 772 CD2 HIS A 276 6.378 -6.693 -10.337 1.00 0.00 C flip ATOM 773 CE1 HIS A 276 7.725 -5.160 -9.685 1.00 0.00 C flip ATOM 774 NE2 HIS A 276 7.643 -6.313 -10.324 1.00 0.00 N flip ATOM 0 H HIS A 276 1.849 -7.078 -9.901 1.00 0.00 H new ATOM 0 HA HIS A 276 4.517 -7.925 -8.976 1.00 0.00 H new ATOM 0 HB2 HIS A 276 3.651 -5.754 -10.487 1.00 0.00 H new ATOM 0 HB3 HIS A 276 3.773 -5.069 -8.878 1.00 0.00 H new ATOM 0 HD2 HIS A 276 6.003 -7.598 -10.791 1.00 0.00 H new ATOM 0 HE1 HIS A 276 8.632 -4.600 -9.515 1.00 0.00 H new ATOM 0 HE2 HIS A 276 8.424 -6.823 -10.737 1.00 0.00 H new ATOM 783 N GLN A 277 2.240 -7.661 -7.019 1.00 0.00 N ATOM 784 CA GLN A 277 1.787 -7.562 -5.636 1.00 0.00 C ATOM 785 C GLN A 277 2.972 -7.502 -4.677 1.00 0.00 C ATOM 786 O GLN A 277 3.179 -6.499 -3.995 1.00 0.00 O ATOM 787 CB GLN A 277 0.891 -8.752 -5.283 1.00 0.00 C ATOM 788 CG GLN A 277 -0.383 -8.357 -4.554 1.00 0.00 C ATOM 789 CD GLN A 277 -1.028 -9.524 -3.833 1.00 0.00 C ATOM 790 OE1 GLN A 277 -0.435 -10.595 -3.707 1.00 0.00 O ATOM 791 NE2 GLN A 277 -2.250 -9.321 -3.355 1.00 0.00 N ATOM 0 H GLN A 277 1.655 -8.247 -7.614 1.00 0.00 H new ATOM 0 HA GLN A 277 1.213 -6.641 -5.534 1.00 0.00 H new ATOM 0 HB2 GLN A 277 0.627 -9.282 -6.198 1.00 0.00 H new ATOM 0 HB3 GLN A 277 1.454 -9.449 -4.662 1.00 0.00 H new ATOM 0 HG2 GLN A 277 -0.156 -7.571 -3.834 1.00 0.00 H new ATOM 0 HG3 GLN A 277 -1.092 -7.940 -5.269 1.00 0.00 H new ATOM 0 HE21 GLN A 277 -2.704 -8.416 -3.483 1.00 0.00 H new ATOM 0 HE22 GLN A 277 -2.735 -10.070 -2.860 1.00 0.00 H new ATOM 800 N GLU A 278 3.746 -8.582 -4.631 1.00 0.00 N ATOM 801 CA GLU A 278 4.912 -8.650 -3.756 1.00 0.00 C ATOM 802 C GLU A 278 5.600 -7.293 -3.662 1.00 0.00 C ATOM 803 O GLU A 278 5.910 -6.818 -2.569 1.00 0.00 O ATOM 804 CB GLU A 278 5.898 -9.702 -4.266 1.00 0.00 C ATOM 805 CG GLU A 278 6.102 -10.861 -3.305 1.00 0.00 C ATOM 806 CD GLU A 278 6.372 -12.171 -4.021 1.00 0.00 C ATOM 807 OE1 GLU A 278 7.476 -12.323 -4.584 1.00 0.00 O ATOM 808 OE2 GLU A 278 5.480 -13.045 -4.015 1.00 0.00 O ATOM 0 H GLU A 278 3.587 -9.421 -5.189 1.00 0.00 H new ATOM 0 HA GLU A 278 4.572 -8.935 -2.760 1.00 0.00 H new ATOM 0 HB2 GLU A 278 5.541 -10.090 -5.220 1.00 0.00 H new ATOM 0 HB3 GLU A 278 6.859 -9.225 -4.456 1.00 0.00 H new ATOM 0 HG2 GLU A 278 6.936 -10.635 -2.641 1.00 0.00 H new ATOM 0 HG3 GLU A 278 5.217 -10.969 -2.679 1.00 0.00 H new ATOM 815 N GLN A 279 5.834 -6.673 -4.813 1.00 0.00 N ATOM 816 CA GLN A 279 6.483 -5.369 -4.861 1.00 0.00 C ATOM 817 C GLN A 279 5.509 -4.269 -4.458 1.00 0.00 C ATOM 818 O GLN A 279 5.848 -3.378 -3.679 1.00 0.00 O ATOM 819 CB GLN A 279 7.028 -5.096 -6.264 1.00 0.00 C ATOM 820 CG GLN A 279 8.315 -5.844 -6.573 1.00 0.00 C ATOM 821 CD GLN A 279 8.120 -7.347 -6.612 1.00 0.00 C ATOM 822 OE1 GLN A 279 7.284 -7.812 -7.532 1.00 0.00 O flip ATOM 823 NE2 GLN A 279 8.715 -8.082 -5.824 1.00 0.00 N flip ATOM 0 H GLN A 279 5.584 -7.053 -5.726 1.00 0.00 H new ATOM 0 HA GLN A 279 7.313 -5.376 -4.155 1.00 0.00 H new ATOM 0 HB2 GLN A 279 6.272 -5.372 -6.999 1.00 0.00 H new ATOM 0 HB3 GLN A 279 7.204 -4.026 -6.375 1.00 0.00 H new ATOM 0 HG2 GLN A 279 8.705 -5.507 -7.533 1.00 0.00 H new ATOM 0 HG3 GLN A 279 9.064 -5.598 -5.820 1.00 0.00 H new ATOM 0 HE21 GLN A 279 9.349 -7.682 -5.132 1.00 0.00 H new ATOM 0 HE22 GLN A 279 8.574 -9.091 -5.863 1.00 0.00 H new ATOM 832 N PHE A 280 4.294 -4.341 -4.992 1.00 0.00 N ATOM 833 CA PHE A 280 3.265 -3.355 -4.687 1.00 0.00 C ATOM 834 C PHE A 280 3.171 -3.121 -3.184 1.00 0.00 C ATOM 835 O PHE A 280 3.409 -2.013 -2.701 1.00 0.00 O ATOM 836 CB PHE A 280 1.911 -3.817 -5.229 1.00 0.00 C ATOM 837 CG PHE A 280 0.862 -2.743 -5.221 1.00 0.00 C ATOM 838 CD1 PHE A 280 1.136 -1.493 -4.689 1.00 0.00 C ATOM 839 CD2 PHE A 280 -0.397 -2.984 -5.745 1.00 0.00 C ATOM 840 CE1 PHE A 280 0.172 -0.503 -4.680 1.00 0.00 C ATOM 841 CE2 PHE A 280 -1.365 -1.997 -5.740 1.00 0.00 C ATOM 842 CZ PHE A 280 -1.080 -0.755 -5.206 1.00 0.00 C ATOM 0 H PHE A 280 3.998 -5.073 -5.638 1.00 0.00 H new ATOM 0 HA PHE A 280 3.539 -2.416 -5.168 1.00 0.00 H new ATOM 0 HB2 PHE A 280 2.042 -4.178 -6.249 1.00 0.00 H new ATOM 0 HB3 PHE A 280 1.560 -4.661 -4.635 1.00 0.00 H new ATOM 0 HD1 PHE A 280 2.114 -1.290 -4.277 1.00 0.00 H new ATOM 0 HD2 PHE A 280 -0.625 -3.954 -6.162 1.00 0.00 H new ATOM 0 HE1 PHE A 280 0.397 0.467 -4.262 1.00 0.00 H new ATOM 0 HE2 PHE A 280 -2.343 -2.197 -6.153 1.00 0.00 H new ATOM 0 HZ PHE A 280 -1.835 0.017 -5.200 1.00 0.00 H new ATOM 852 N ILE A 281 2.833 -4.172 -2.446 1.00 0.00 N ATOM 853 CA ILE A 281 2.719 -4.080 -0.997 1.00 0.00 C ATOM 854 C ILE A 281 4.086 -3.878 -0.365 1.00 0.00 C ATOM 855 O ILE A 281 4.228 -3.151 0.620 1.00 0.00 O ATOM 856 CB ILE A 281 2.065 -5.338 -0.397 1.00 0.00 C ATOM 857 CG1 ILE A 281 0.928 -5.829 -1.295 1.00 0.00 C ATOM 858 CG2 ILE A 281 1.554 -5.050 1.006 1.00 0.00 C ATOM 859 CD1 ILE A 281 -0.061 -4.745 -1.662 1.00 0.00 C ATOM 0 H ILE A 281 2.633 -5.097 -2.828 1.00 0.00 H new ATOM 0 HA ILE A 281 2.084 -3.221 -0.780 1.00 0.00 H new ATOM 0 HB ILE A 281 2.816 -6.125 -0.335 1.00 0.00 H new ATOM 0 HG12 ILE A 281 1.351 -6.248 -2.208 1.00 0.00 H new ATOM 0 HG13 ILE A 281 0.399 -6.637 -0.789 1.00 0.00 H new ATOM 0 HG21 ILE A 281 1.094 -5.949 1.417 1.00 0.00 H new ATOM 0 HG22 ILE A 281 2.386 -4.745 1.641 1.00 0.00 H new ATOM 0 HG23 ILE A 281 0.815 -4.250 0.967 1.00 0.00 H new ATOM 0 HD11 ILE A 281 -0.840 -5.164 -2.300 1.00 0.00 H new ATOM 0 HD12 ILE A 281 -0.512 -4.342 -0.755 1.00 0.00 H new ATOM 0 HD13 ILE A 281 0.455 -3.947 -2.196 1.00 0.00 H new ATOM 871 N GLN A 282 5.095 -4.522 -0.941 1.00 0.00 N ATOM 872 CA GLN A 282 6.458 -4.407 -0.437 1.00 0.00 C ATOM 873 C GLN A 282 6.758 -2.965 -0.047 1.00 0.00 C ATOM 874 O GLN A 282 7.221 -2.693 1.061 1.00 0.00 O ATOM 875 CB GLN A 282 7.459 -4.883 -1.491 1.00 0.00 C ATOM 876 CG GLN A 282 8.869 -4.361 -1.268 1.00 0.00 C ATOM 877 CD GLN A 282 9.838 -4.828 -2.336 1.00 0.00 C ATOM 878 OE1 GLN A 282 9.772 -6.110 -2.675 1.00 0.00 O flip ATOM 879 NE2 GLN A 282 10.637 -4.046 -2.850 1.00 0.00 N flip ATOM 0 H GLN A 282 4.995 -5.128 -1.756 1.00 0.00 H new ATOM 0 HA GLN A 282 6.553 -5.038 0.447 1.00 0.00 H new ATOM 0 HB2 GLN A 282 7.480 -5.973 -1.495 1.00 0.00 H new ATOM 0 HB3 GLN A 282 7.115 -4.568 -2.476 1.00 0.00 H new ATOM 0 HG2 GLN A 282 8.851 -3.271 -1.250 1.00 0.00 H new ATOM 0 HG3 GLN A 282 9.224 -4.690 -0.291 1.00 0.00 H new ATOM 0 HE21 GLN A 282 10.653 -3.069 -2.559 1.00 0.00 H new ATOM 0 HE22 GLN A 282 11.283 -4.375 -3.567 1.00 0.00 H new ATOM 888 N MET A 283 6.478 -2.042 -0.963 1.00 0.00 N ATOM 889 CA MET A 283 6.706 -0.625 -0.712 1.00 0.00 C ATOM 890 C MET A 283 5.609 -0.062 0.182 1.00 0.00 C ATOM 891 O MET A 283 5.883 0.653 1.146 1.00 0.00 O ATOM 892 CB MET A 283 6.754 0.150 -2.031 1.00 0.00 C ATOM 893 CG MET A 283 7.412 -0.618 -3.166 1.00 0.00 C ATOM 894 SD MET A 283 9.048 -1.237 -2.729 1.00 0.00 S ATOM 895 CE MET A 283 9.811 -1.353 -4.346 1.00 0.00 C ATOM 0 H MET A 283 6.093 -2.251 -1.884 1.00 0.00 H new ATOM 0 HA MET A 283 7.665 -0.516 -0.205 1.00 0.00 H new ATOM 0 HB2 MET A 283 5.738 0.415 -2.324 1.00 0.00 H new ATOM 0 HB3 MET A 283 7.294 1.084 -1.874 1.00 0.00 H new ATOM 0 HG2 MET A 283 6.775 -1.456 -3.450 1.00 0.00 H new ATOM 0 HG3 MET A 283 7.494 0.030 -4.038 1.00 0.00 H new ATOM 0 HE1 MET A 283 10.837 -1.706 -4.240 1.00 0.00 H new ATOM 0 HE2 MET A 283 9.249 -2.053 -4.964 1.00 0.00 H new ATOM 0 HE3 MET A 283 9.812 -0.371 -4.819 1.00 0.00 H new ATOM 905 N LEU A 284 4.364 -0.397 -0.140 1.00 0.00 N ATOM 906 CA LEU A 284 3.221 0.068 0.637 1.00 0.00 C ATOM 907 C LEU A 284 3.528 0.010 2.129 1.00 0.00 C ATOM 908 O LEU A 284 3.044 0.834 2.905 1.00 0.00 O ATOM 909 CB LEU A 284 1.987 -0.781 0.325 1.00 0.00 C ATOM 910 CG LEU A 284 0.660 -0.201 0.816 1.00 0.00 C ATOM 911 CD1 LEU A 284 0.551 -0.324 2.329 1.00 0.00 C ATOM 912 CD2 LEU A 284 0.524 1.251 0.386 1.00 0.00 C ATOM 0 H LEU A 284 4.121 -0.989 -0.934 1.00 0.00 H new ATOM 0 HA LEU A 284 3.018 1.103 0.362 1.00 0.00 H new ATOM 0 HB2 LEU A 284 1.926 -0.923 -0.754 1.00 0.00 H new ATOM 0 HB3 LEU A 284 2.122 -1.767 0.770 1.00 0.00 H new ATOM 0 HG LEU A 284 -0.153 -0.771 0.367 1.00 0.00 H new ATOM 0 HD11 LEU A 284 -0.400 0.094 2.660 1.00 0.00 H new ATOM 0 HD12 LEU A 284 0.604 -1.375 2.613 1.00 0.00 H new ATOM 0 HD13 LEU A 284 1.370 0.221 2.798 1.00 0.00 H new ATOM 0 HD21 LEU A 284 -0.426 1.649 0.743 1.00 0.00 H new ATOM 0 HD22 LEU A 284 1.343 1.834 0.808 1.00 0.00 H new ATOM 0 HD23 LEU A 284 0.557 1.313 -0.702 1.00 0.00 H new ATOM 924 N ASN A 285 4.338 -0.968 2.521 1.00 0.00 N ATOM 925 CA ASN A 285 4.715 -1.134 3.918 1.00 0.00 C ATOM 926 C ASN A 285 5.980 -0.343 4.234 1.00 0.00 C ATOM 927 O ASN A 285 6.788 -0.750 5.069 1.00 0.00 O ATOM 928 CB ASN A 285 4.931 -2.614 4.239 1.00 0.00 C ATOM 929 CG ASN A 285 3.795 -3.485 3.742 1.00 0.00 C ATOM 930 OD1 ASN A 285 4.015 -4.480 3.052 1.00 0.00 O ATOM 931 ND2 ASN A 285 2.568 -3.113 4.092 1.00 0.00 N ATOM 0 H ASN A 285 4.746 -1.658 1.890 1.00 0.00 H new ATOM 0 HA ASN A 285 3.903 -0.752 4.537 1.00 0.00 H new ATOM 0 HB2 ASN A 285 5.865 -2.948 3.788 1.00 0.00 H new ATOM 0 HB3 ASN A 285 5.035 -2.738 5.317 1.00 0.00 H new ATOM 0 HD21 ASN A 285 1.763 -3.660 3.787 1.00 0.00 H new ATOM 0 HD22 ASN A 285 2.432 -2.281 4.665 1.00 0.00 H new ATOM 938 N GLU A 286 6.143 0.791 3.560 1.00 0.00 N ATOM 939 CA GLU A 286 7.307 1.643 3.767 1.00 0.00 C ATOM 940 C GLU A 286 7.711 1.660 5.237 1.00 0.00 C ATOM 941 O GLU A 286 8.871 1.420 5.574 1.00 0.00 O ATOM 942 CB GLU A 286 7.014 3.065 3.282 1.00 0.00 C ATOM 943 CG GLU A 286 7.914 4.121 3.904 1.00 0.00 C ATOM 944 CD GLU A 286 9.367 3.958 3.501 1.00 0.00 C ATOM 945 OE1 GLU A 286 9.668 4.098 2.297 1.00 0.00 O ATOM 946 OE2 GLU A 286 10.203 3.691 4.390 1.00 0.00 O ATOM 0 H GLU A 286 5.483 1.141 2.866 1.00 0.00 H new ATOM 0 HA GLU A 286 8.137 1.236 3.189 1.00 0.00 H new ATOM 0 HB2 GLU A 286 7.124 3.099 2.198 1.00 0.00 H new ATOM 0 HB3 GLU A 286 5.975 3.309 3.505 1.00 0.00 H new ATOM 0 HG2 GLU A 286 7.567 5.110 3.606 1.00 0.00 H new ATOM 0 HG3 GLU A 286 7.834 4.068 4.990 1.00 0.00 H new