USER MOD reduce.3.24.130724 H: found=0, std=0, add=571, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 572 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 290 THR OG1 : rot 59:sc= 1.22 USER MOD Set 1.2: A 291 HIS : no HD1:sc= -0.572 K(o=0.64,f=-4.7!) USER MOD Set 2.1: A 280 CYS SG : rot 121:sc= 0.356 USER MOD Set 2.2: A 281 ASN : amide:sc= 0.095 X(o=0.45,f=0.27) USER MOD Set 3.1: A 235 GLN : amide:sc= 0.0571 X(o=-1.5,f=-1.6) USER MOD Set 3.2: A 236 ASN : amide:sc= 0.157 X(o=-1.5,f=-1.6) USER MOD Set 3.3: A 297 GLN : amide:sc= -1.7! X(o=-1.5!,f=-1.6) USER MOD Set 4.1: A 228 ASN : amide:sc= -0.0523 X(o=-0.052,f=0) USER MOD Set 4.2: A 229 THR OG1 : rot 180:sc= 0 USER MOD Single : A 233 ASN : amide:sc= -2.31! C(o=-2.3!,f=-3.1!) USER MOD Single : A 240 TYR OH : rot 180:sc= 0 USER MOD Single : A 245 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 246 LYS NZ :NH3+ -121:sc= -0.328 (180deg=-3.46!) USER MOD Single : A 250 ASN : amide:sc= -2.77! C(o=-2.8!,f=-2.5!) USER MOD Single : A 252 TYR OH : rot 180:sc= 0 USER MOD Single : A 254 LYS NZ :NH3+ -143:sc= 0.217 (180deg=0) USER MOD Single : A 255 THR OG1 : rot 180:sc= -1.25! USER MOD Single : A 266 LYS NZ :NH3+ 156:sc= -1.75! (180deg=-4.71!) USER MOD Single : A 268 THR OG1 : rot 180:sc= 0 USER MOD Single : A 269 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 271 ASN : amide:sc= -5.51! C(o=-5.5!,f=-1.7!) USER MOD Single : A 272 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 273 SER OG : rot 180:sc= 0 USER MOD Single : A 275 GLN : amide:sc= -0.213 X(o=-0.21,f=0) USER MOD Single : A 283 LYS NZ :NH3+ 145:sc= -3.32! (180deg=-4.85!) USER MOD Single : A 286 HIS : no HE2:sc= -0.625 X(o=-0.63,f=-0.35) USER MOD ----------------------------------------------------------------- ATOM 97 N ILE A 227 -11.729 -0.702 2.419 1.00 1.37 N ATOM 98 CA ILE A 227 -10.884 -1.793 2.858 1.00 1.12 C ATOM 99 C ILE A 227 -10.893 -1.860 4.377 1.00 1.27 C ATOM 100 O ILE A 227 -10.140 -1.177 5.075 1.00 1.47 O ATOM 101 CB ILE A 227 -9.447 -1.706 2.267 1.00 0.97 C ATOM 102 CG1 ILE A 227 -9.486 -2.038 0.763 1.00 1.20 C ATOM 103 CG2 ILE A 227 -8.496 -2.656 2.985 1.00 1.14 C ATOM 104 CD1 ILE A 227 -10.109 -0.963 -0.102 1.00 1.47 C ATOM 0 HA ILE A 227 -11.292 -2.727 2.472 1.00 1.12 H new ATOM 0 HB ILE A 227 -9.078 -0.690 2.409 1.00 0.97 H new ATOM 0 HG12 ILE A 227 -8.468 -2.220 0.418 1.00 1.20 H new ATOM 0 HG13 ILE A 227 -10.041 -2.966 0.623 1.00 1.20 H new ATOM 0 HG21 ILE A 227 -7.500 -2.572 2.549 1.00 1.14 H new ATOM 0 HG22 ILE A 227 -8.452 -2.397 4.043 1.00 1.14 H new ATOM 0 HG23 ILE A 227 -8.854 -3.680 2.877 1.00 1.14 H new ATOM 0 HD11 ILE A 227 -10.094 -1.281 -1.144 1.00 1.47 H new ATOM 0 HD12 ILE A 227 -11.139 -0.795 0.212 1.00 1.47 H new ATOM 0 HD13 ILE A 227 -9.543 -0.038 0.003 1.00 1.47 H new ATOM 116 N ASN A 228 -11.826 -2.659 4.856 1.00 1.52 N ATOM 117 CA ASN A 228 -12.166 -2.743 6.255 1.00 1.82 C ATOM 118 C ASN A 228 -12.582 -4.170 6.583 1.00 1.80 C ATOM 119 O ASN A 228 -13.606 -4.652 6.090 1.00 2.07 O ATOM 120 CB ASN A 228 -13.301 -1.754 6.552 1.00 2.42 C ATOM 121 CG ASN A 228 -13.993 -2.018 7.878 1.00 3.09 C ATOM 122 OD1 ASN A 228 -13.558 -1.540 8.923 1.00 3.44 O ATOM 123 ND2 ASN A 228 -15.084 -2.766 7.841 1.00 3.83 N ATOM 0 H ASN A 228 -12.379 -3.281 4.266 1.00 1.52 H new ATOM 0 HA ASN A 228 -11.308 -2.484 6.875 1.00 1.82 H new ATOM 0 HB2 ASN A 228 -12.900 -0.741 6.554 1.00 2.42 H new ATOM 0 HB3 ASN A 228 -14.037 -1.804 5.749 1.00 2.42 H new ATOM 0 HD21 ASN A 228 -15.596 -2.964 8.701 1.00 3.83 H new ATOM 0 HD22 ASN A 228 -15.413 -3.145 6.953 1.00 3.83 H new ATOM 130 N THR A 229 -11.759 -4.849 7.376 1.00 1.66 N ATOM 131 CA THR A 229 -11.978 -6.256 7.719 1.00 1.67 C ATOM 132 C THR A 229 -12.008 -7.172 6.465 1.00 1.68 C ATOM 133 O THR A 229 -12.766 -8.141 6.420 1.00 2.22 O ATOM 134 CB THR A 229 -13.308 -6.390 8.492 1.00 1.80 C ATOM 135 OG1 THR A 229 -13.420 -5.316 9.440 1.00 1.91 O ATOM 136 CG2 THR A 229 -13.396 -7.717 9.237 1.00 1.88 C ATOM 0 H THR A 229 -10.924 -4.444 7.799 1.00 1.66 H new ATOM 0 HA THR A 229 -11.142 -6.581 8.338 1.00 1.67 H new ATOM 0 HB THR A 229 -14.121 -6.349 7.767 1.00 1.80 H new ATOM 0 HG1 THR A 229 -14.265 -5.399 9.930 1.00 1.91 H new ATOM 0 HG21 THR A 229 -14.346 -7.774 9.769 1.00 1.88 H new ATOM 0 HG22 THR A 229 -13.329 -8.539 8.525 1.00 1.88 H new ATOM 0 HG23 THR A 229 -12.576 -7.788 9.951 1.00 1.88 H new ATOM 144 N PRO A 230 -11.186 -6.907 5.421 1.00 1.34 N ATOM 145 CA PRO A 230 -11.222 -7.662 4.185 1.00 1.46 C ATOM 146 C PRO A 230 -10.001 -8.570 3.987 1.00 1.44 C ATOM 147 O PRO A 230 -8.928 -8.332 4.550 1.00 1.32 O ATOM 148 CB PRO A 230 -11.189 -6.513 3.190 1.00 1.46 C ATOM 149 CG PRO A 230 -10.243 -5.520 3.809 1.00 1.48 C ATOM 150 CD PRO A 230 -10.187 -5.837 5.293 1.00 1.35 C ATOM 0 HA PRO A 230 -12.066 -8.348 4.115 1.00 1.46 H new ATOM 0 HB2 PRO A 230 -10.838 -6.842 2.212 1.00 1.46 H new ATOM 0 HB3 PRO A 230 -12.180 -6.083 3.045 1.00 1.46 H new ATOM 0 HG2 PRO A 230 -9.253 -5.596 3.359 1.00 1.48 H new ATOM 0 HG3 PRO A 230 -10.590 -4.500 3.644 1.00 1.48 H new ATOM 0 HD2 PRO A 230 -9.195 -6.167 5.601 1.00 1.35 H new ATOM 0 HD3 PRO A 230 -10.439 -4.970 5.904 1.00 1.35 H new ATOM 158 N LEU A 231 -10.166 -9.616 3.195 1.00 1.78 N ATOM 159 CA LEU A 231 -9.033 -10.428 2.787 1.00 1.82 C ATOM 160 C LEU A 231 -8.486 -9.885 1.472 1.00 1.52 C ATOM 161 O LEU A 231 -9.233 -9.287 0.693 1.00 1.52 O ATOM 162 CB LEU A 231 -9.420 -11.908 2.662 1.00 2.34 C ATOM 163 CG LEU A 231 -9.549 -12.663 3.990 1.00 2.79 C ATOM 164 CD1 LEU A 231 -10.772 -12.198 4.768 1.00 3.30 C ATOM 165 CD2 LEU A 231 -9.611 -14.161 3.742 1.00 3.42 C ATOM 0 H LEU A 231 -11.066 -9.921 2.824 1.00 1.78 H new ATOM 0 HA LEU A 231 -8.257 -10.372 3.551 1.00 1.82 H new ATOM 0 HB2 LEU A 231 -10.369 -11.975 2.130 1.00 2.34 H new ATOM 0 HB3 LEU A 231 -8.674 -12.411 2.047 1.00 2.34 H new ATOM 0 HG LEU A 231 -8.667 -12.445 4.592 1.00 2.79 H new ATOM 0 HD11 LEU A 231 -10.839 -12.750 5.705 1.00 3.30 H new ATOM 0 HD12 LEU A 231 -10.685 -11.132 4.980 1.00 3.30 H new ATOM 0 HD13 LEU A 231 -11.670 -12.378 4.176 1.00 3.30 H new ATOM 0 HD21 LEU A 231 -9.702 -14.684 4.694 1.00 3.42 H new ATOM 0 HD22 LEU A 231 -10.474 -14.391 3.117 1.00 3.42 H new ATOM 0 HD23 LEU A 231 -8.701 -14.484 3.237 1.00 3.42 H new ATOM 177 N PRO A 232 -7.182 -10.076 1.211 1.00 1.40 N ATOM 178 CA PRO A 232 -6.491 -9.409 0.099 1.00 1.28 C ATOM 179 C PRO A 232 -7.164 -9.610 -1.255 1.00 1.55 C ATOM 180 O PRO A 232 -7.389 -10.742 -1.689 1.00 1.84 O ATOM 181 CB PRO A 232 -5.110 -10.067 0.099 1.00 1.40 C ATOM 182 CG PRO A 232 -4.913 -10.532 1.497 1.00 1.45 C ATOM 183 CD PRO A 232 -6.272 -10.944 1.982 1.00 1.54 C ATOM 0 HA PRO A 232 -6.482 -8.328 0.238 1.00 1.28 H new ATOM 0 HB2 PRO A 232 -5.068 -10.899 -0.604 1.00 1.40 H new ATOM 0 HB3 PRO A 232 -4.335 -9.360 -0.196 1.00 1.40 H new ATOM 0 HG2 PRO A 232 -4.213 -11.367 1.537 1.00 1.45 H new ATOM 0 HG3 PRO A 232 -4.499 -9.738 2.119 1.00 1.45 H new ATOM 0 HD2 PRO A 232 -6.465 -12.000 1.791 1.00 1.54 H new ATOM 0 HD3 PRO A 232 -6.381 -10.789 3.055 1.00 1.54 H new ATOM 191 N ASN A 233 -7.462 -8.481 -1.905 1.00 1.58 N ATOM 192 CA ASN A 233 -8.025 -8.451 -3.251 1.00 2.01 C ATOM 193 C ASN A 233 -8.390 -7.014 -3.630 1.00 1.76 C ATOM 194 O ASN A 233 -7.568 -6.306 -4.214 1.00 2.31 O ATOM 195 CB ASN A 233 -9.259 -9.357 -3.375 1.00 2.67 C ATOM 196 CG ASN A 233 -9.802 -9.417 -4.790 1.00 3.38 C ATOM 197 OD1 ASN A 233 -10.719 -8.683 -5.150 1.00 3.96 O ATOM 198 ND2 ASN A 233 -9.227 -10.279 -5.612 1.00 3.82 N ATOM 0 H ASN A 233 -7.316 -7.554 -1.504 1.00 1.58 H new ATOM 0 HA ASN A 233 -7.267 -8.830 -3.937 1.00 2.01 H new ATOM 0 HB2 ASN A 233 -9.000 -10.364 -3.047 1.00 2.67 H new ATOM 0 HB3 ASN A 233 -10.039 -8.995 -2.706 1.00 2.67 H new ATOM 0 HD21 ASN A 233 -9.543 -10.350 -6.579 1.00 3.82 H new ATOM 0 HD22 ASN A 233 -8.468 -10.873 -5.279 1.00 3.82 H new ATOM 205 N LEU A 234 -9.601 -6.585 -3.233 1.00 1.61 N ATOM 206 CA LEU A 234 -10.190 -5.312 -3.606 1.00 1.90 C ATOM 207 C LEU A 234 -11.678 -5.486 -3.483 1.00 1.69 C ATOM 208 O LEU A 234 -12.204 -6.549 -3.807 1.00 1.91 O ATOM 209 CB LEU A 234 -9.840 -4.860 -5.034 1.00 2.77 C ATOM 210 CG LEU A 234 -10.212 -5.816 -6.181 1.00 3.77 C ATOM 211 CD1 LEU A 234 -11.642 -5.589 -6.655 1.00 4.30 C ATOM 212 CD2 LEU A 234 -9.246 -5.651 -7.341 1.00 4.49 C ATOM 0 H LEU A 234 -10.205 -7.140 -2.626 1.00 1.61 H new ATOM 0 HA LEU A 234 -9.794 -4.536 -2.951 1.00 1.90 H new ATOM 0 HB2 LEU A 234 -10.332 -3.904 -5.217 1.00 2.77 H new ATOM 0 HB3 LEU A 234 -8.766 -4.680 -5.078 1.00 2.77 H new ATOM 0 HG LEU A 234 -10.142 -6.834 -5.799 1.00 3.77 H new ATOM 0 HD11 LEU A 234 -11.871 -6.281 -7.465 1.00 4.30 H new ATOM 0 HD12 LEU A 234 -12.331 -5.759 -5.828 1.00 4.30 H new ATOM 0 HD13 LEU A 234 -11.749 -4.565 -7.012 1.00 4.30 H new ATOM 0 HD21 LEU A 234 -9.522 -6.334 -8.144 1.00 4.49 H new ATOM 0 HD22 LEU A 234 -9.288 -4.625 -7.706 1.00 4.49 H new ATOM 0 HD23 LEU A 234 -8.233 -5.876 -7.006 1.00 4.49 H new ATOM 224 N GLN A 235 -12.364 -4.501 -2.978 1.00 1.58 N ATOM 225 CA GLN A 235 -13.778 -4.644 -2.825 1.00 1.78 C ATOM 226 C GLN A 235 -14.464 -3.818 -3.894 1.00 1.59 C ATOM 227 O GLN A 235 -15.592 -4.090 -4.303 1.00 1.97 O ATOM 228 CB GLN A 235 -14.141 -4.245 -1.413 1.00 2.17 C ATOM 229 CG GLN A 235 -15.612 -3.912 -1.215 1.00 2.56 C ATOM 230 CD GLN A 235 -15.925 -3.364 0.160 1.00 3.18 C ATOM 231 OE1 GLN A 235 -15.928 -2.157 0.363 1.00 3.71 O ATOM 232 NE2 GLN A 235 -16.199 -4.241 1.110 1.00 3.72 N ATOM 0 H GLN A 235 -11.975 -3.609 -2.672 1.00 1.58 H new ATOM 0 HA GLN A 235 -14.113 -5.672 -2.962 1.00 1.78 H new ATOM 0 HB2 GLN A 235 -13.870 -5.057 -0.738 1.00 2.17 H new ATOM 0 HB3 GLN A 235 -13.543 -3.380 -1.127 1.00 2.17 H new ATOM 0 HG2 GLN A 235 -15.916 -3.183 -1.966 1.00 2.56 H new ATOM 0 HG3 GLN A 235 -16.206 -4.810 -1.384 1.00 2.56 H new ATOM 0 HE21 GLN A 235 -16.186 -5.239 0.901 1.00 3.72 H new ATOM 0 HE22 GLN A 235 -16.423 -3.919 2.052 1.00 3.72 H new ATOM 241 N ASN A 236 -13.745 -2.799 -4.346 1.00 1.40 N ATOM 242 CA ASN A 236 -14.230 -1.911 -5.385 1.00 1.65 C ATOM 243 C ASN A 236 -13.114 -1.606 -6.379 1.00 1.69 C ATOM 244 O ASN A 236 -13.298 -0.840 -7.324 1.00 2.36 O ATOM 245 CB ASN A 236 -14.713 -0.602 -4.766 1.00 2.09 C ATOM 246 CG ASN A 236 -15.558 -0.800 -3.520 1.00 2.95 C ATOM 247 OD1 ASN A 236 -16.780 -0.894 -3.594 1.00 3.67 O ATOM 248 ND2 ASN A 236 -14.913 -0.837 -2.363 1.00 3.34 N ATOM 0 H ASN A 236 -12.813 -2.568 -4.002 1.00 1.40 H new ATOM 0 HA ASN A 236 -15.055 -2.401 -5.902 1.00 1.65 H new ATOM 0 HB2 ASN A 236 -13.849 0.014 -4.516 1.00 2.09 H new ATOM 0 HB3 ASN A 236 -15.294 -0.051 -5.506 1.00 2.09 H new ATOM 0 HD21 ASN A 236 -15.433 -0.947 -1.492 1.00 3.34 H new ATOM 0 HD22 ASN A 236 -13.896 -0.756 -2.343 1.00 3.34 H new ATOM 255 N GLY A 237 -11.953 -2.208 -6.158 1.00 1.32 N ATOM 256 CA GLY A 237 -10.781 -1.851 -6.877 1.00 1.67 C ATOM 257 C GLY A 237 -9.639 -1.714 -5.911 1.00 1.38 C ATOM 258 O GLY A 237 -9.864 -1.637 -4.705 1.00 1.70 O ATOM 0 H GLY A 237 -11.818 -2.952 -5.474 1.00 1.32 H new ATOM 0 HA2 GLY A 237 -10.552 -2.610 -7.625 1.00 1.67 H new ATOM 0 HA3 GLY A 237 -10.937 -0.914 -7.411 1.00 1.67 H new ATOM 262 N PRO A 238 -8.417 -1.759 -6.390 1.00 0.90 N ATOM 263 CA PRO A 238 -7.235 -1.573 -5.568 1.00 0.65 C ATOM 264 C PRO A 238 -7.015 -0.124 -5.256 1.00 0.50 C ATOM 265 O PRO A 238 -7.558 0.763 -5.920 1.00 0.76 O ATOM 266 CB PRO A 238 -6.099 -2.108 -6.443 1.00 0.65 C ATOM 267 CG PRO A 238 -6.811 -2.830 -7.535 1.00 0.96 C ATOM 268 CD PRO A 238 -8.056 -2.040 -7.761 1.00 0.88 C ATOM 0 HA PRO A 238 -7.312 -2.079 -4.606 1.00 0.65 H new ATOM 0 HB2 PRO A 238 -5.479 -1.301 -6.833 1.00 0.65 H new ATOM 0 HB3 PRO A 238 -5.441 -2.774 -5.884 1.00 0.65 H new ATOM 0 HG2 PRO A 238 -6.204 -2.880 -8.439 1.00 0.96 H new ATOM 0 HG3 PRO A 238 -7.040 -3.856 -7.248 1.00 0.96 H new ATOM 0 HD2 PRO A 238 -7.877 -1.134 -8.340 1.00 0.88 H new ATOM 0 HD3 PRO A 238 -8.823 -2.609 -8.287 1.00 0.88 H new ATOM 276 N PHE A 239 -6.213 0.126 -4.260 1.00 0.37 N ATOM 277 CA PHE A 239 -5.936 1.481 -3.888 1.00 0.28 C ATOM 278 C PHE A 239 -4.485 1.793 -4.111 1.00 0.27 C ATOM 279 O PHE A 239 -3.713 0.967 -4.596 1.00 0.51 O ATOM 280 CB PHE A 239 -6.338 1.766 -2.432 1.00 0.34 C ATOM 281 CG PHE A 239 -5.938 0.696 -1.465 1.00 0.41 C ATOM 282 CD1 PHE A 239 -4.614 0.346 -1.269 1.00 0.35 C ATOM 283 CD2 PHE A 239 -6.907 0.047 -0.743 1.00 0.90 C ATOM 284 CE1 PHE A 239 -4.279 -0.637 -0.364 1.00 0.35 C ATOM 285 CE2 PHE A 239 -6.574 -0.935 0.162 1.00 1.09 C ATOM 286 CZ PHE A 239 -5.259 -1.278 0.349 1.00 0.73 C ATOM 0 H PHE A 239 -5.744 -0.584 -3.697 1.00 0.37 H new ATOM 0 HA PHE A 239 -6.538 2.132 -4.522 1.00 0.28 H new ATOM 0 HB2 PHE A 239 -5.888 2.709 -2.120 1.00 0.34 H new ATOM 0 HB3 PHE A 239 -7.419 1.898 -2.384 1.00 0.34 H new ATOM 0 HD1 PHE A 239 -3.838 0.847 -1.829 1.00 0.35 H new ATOM 0 HD2 PHE A 239 -7.945 0.310 -0.887 1.00 0.90 H new ATOM 0 HE1 PHE A 239 -3.243 -0.903 -0.216 1.00 0.35 H new ATOM 0 HE2 PHE A 239 -7.348 -1.436 0.725 1.00 1.09 H new ATOM 0 HZ PHE A 239 -4.996 -2.051 1.056 1.00 0.73 H new ATOM 296 N TYR A 240 -4.136 2.988 -3.752 1.00 0.16 N ATOM 297 CA TYR A 240 -2.783 3.451 -3.834 1.00 0.21 C ATOM 298 C TYR A 240 -2.416 3.931 -2.459 1.00 0.21 C ATOM 299 O TYR A 240 -3.293 4.150 -1.646 1.00 0.36 O ATOM 300 CB TYR A 240 -2.660 4.579 -4.863 1.00 0.25 C ATOM 301 CG TYR A 240 -3.293 4.244 -6.193 1.00 0.25 C ATOM 302 CD1 TYR A 240 -2.805 3.204 -6.967 1.00 0.29 C ATOM 303 CD2 TYR A 240 -4.379 4.964 -6.670 1.00 0.37 C ATOM 304 CE1 TYR A 240 -3.380 2.885 -8.180 1.00 0.38 C ATOM 305 CE2 TYR A 240 -4.962 4.651 -7.883 1.00 0.46 C ATOM 306 CZ TYR A 240 -4.459 3.611 -8.632 1.00 0.45 C ATOM 307 OH TYR A 240 -5.034 3.300 -9.842 1.00 0.59 O ATOM 0 H TYR A 240 -4.791 3.681 -3.388 1.00 0.16 H new ATOM 0 HA TYR A 240 -2.111 2.657 -4.160 1.00 0.21 H new ATOM 0 HB2 TYR A 240 -3.126 5.479 -4.463 1.00 0.25 H new ATOM 0 HB3 TYR A 240 -1.605 4.808 -5.017 1.00 0.25 H new ATOM 0 HD1 TYR A 240 -1.959 2.632 -6.615 1.00 0.29 H new ATOM 0 HD2 TYR A 240 -4.774 5.781 -6.085 1.00 0.37 H new ATOM 0 HE1 TYR A 240 -2.986 2.071 -8.771 1.00 0.38 H new ATOM 0 HE2 TYR A 240 -5.808 5.219 -8.242 1.00 0.46 H new ATOM 0 HH TYR A 240 -5.785 3.907 -10.013 1.00 0.59 H new ATOM 317 N ALA A 241 -1.156 4.029 -2.155 1.00 0.17 N ATOM 318 CA ALA A 241 -0.766 4.613 -0.898 1.00 0.19 C ATOM 319 C ALA A 241 0.469 5.463 -1.082 1.00 0.15 C ATOM 320 O ALA A 241 1.492 4.999 -1.590 1.00 0.19 O ATOM 321 CB ALA A 241 -0.549 3.550 0.162 1.00 0.35 C ATOM 0 H ALA A 241 -0.387 3.718 -2.748 1.00 0.17 H new ATOM 0 HA ALA A 241 -1.577 5.252 -0.550 1.00 0.19 H new ATOM 0 HB1 ALA A 241 -0.256 4.024 1.098 1.00 0.35 H new ATOM 0 HB2 ALA A 241 -1.473 2.992 0.312 1.00 0.35 H new ATOM 0 HB3 ALA A 241 0.238 2.869 -0.162 1.00 0.35 H new ATOM 327 N ARG A 242 0.357 6.708 -0.682 1.00 0.16 N ATOM 328 CA ARG A 242 1.441 7.646 -0.776 1.00 0.16 C ATOM 329 C ARG A 242 2.426 7.377 0.333 1.00 0.14 C ATOM 330 O ARG A 242 2.153 7.640 1.503 1.00 0.23 O ATOM 331 CB ARG A 242 0.921 9.083 -0.659 1.00 0.29 C ATOM 332 CG ARG A 242 2.018 10.140 -0.660 1.00 0.33 C ATOM 333 CD ARG A 242 2.450 10.495 -2.073 1.00 0.79 C ATOM 334 NE ARG A 242 1.350 11.060 -2.854 1.00 1.19 N ATOM 335 CZ ARG A 242 1.502 11.679 -4.024 1.00 1.66 C ATOM 336 NH1 ARG A 242 2.708 11.809 -4.565 1.00 1.90 N ATOM 337 NH2 ARG A 242 0.440 12.172 -4.649 1.00 2.05 N ATOM 0 H ARG A 242 -0.496 7.097 -0.280 1.00 0.16 H new ATOM 0 HA ARG A 242 1.927 7.529 -1.745 1.00 0.16 H new ATOM 0 HB2 ARG A 242 0.239 9.280 -1.486 1.00 0.29 H new ATOM 0 HB3 ARG A 242 0.342 9.176 0.260 1.00 0.29 H new ATOM 0 HG2 ARG A 242 1.661 11.036 -0.152 1.00 0.33 H new ATOM 0 HG3 ARG A 242 2.877 9.775 -0.097 1.00 0.33 H new ATOM 0 HD2 ARG A 242 3.271 11.210 -2.033 1.00 0.79 H new ATOM 0 HD3 ARG A 242 2.829 9.603 -2.572 1.00 0.79 H new ATOM 0 HE ARG A 242 0.405 10.975 -2.479 1.00 1.19 H new ATOM 0 HH11 ARG A 242 3.526 11.434 -4.084 1.00 1.90 H new ATOM 0 HH12 ARG A 242 2.816 12.284 -5.461 1.00 1.90 H new ATOM 0 HH21 ARG A 242 -0.487 12.076 -4.233 1.00 2.05 H new ATOM 0 HH22 ARG A 242 0.550 12.647 -5.545 1.00 2.05 H new ATOM 351 N VAL A 243 3.547 6.815 -0.031 1.00 0.10 N ATOM 352 CA VAL A 243 4.597 6.592 0.915 1.00 0.14 C ATOM 353 C VAL A 243 5.221 7.921 1.294 1.00 0.11 C ATOM 354 O VAL A 243 5.902 8.562 0.492 1.00 0.15 O ATOM 355 CB VAL A 243 5.658 5.625 0.354 1.00 0.20 C ATOM 356 CG1 VAL A 243 6.026 5.975 -1.074 1.00 0.23 C ATOM 357 CG2 VAL A 243 6.885 5.624 1.234 1.00 0.32 C ATOM 0 H VAL A 243 3.753 6.504 -0.980 1.00 0.10 H new ATOM 0 HA VAL A 243 4.176 6.126 1.806 1.00 0.14 H new ATOM 0 HB VAL A 243 5.229 4.623 0.349 1.00 0.20 H new ATOM 0 HG11 VAL A 243 6.776 5.273 -1.439 1.00 0.23 H new ATOM 0 HG12 VAL A 243 5.138 5.916 -1.703 1.00 0.23 H new ATOM 0 HG13 VAL A 243 6.429 6.987 -1.108 1.00 0.23 H new ATOM 0 HG21 VAL A 243 7.625 4.936 0.825 1.00 0.32 H new ATOM 0 HG22 VAL A 243 7.306 6.629 1.273 1.00 0.32 H new ATOM 0 HG23 VAL A 243 6.611 5.306 2.240 1.00 0.32 H new ATOM 367 N ILE A 244 4.951 8.359 2.506 1.00 0.13 N ATOM 368 CA ILE A 244 5.486 9.617 2.954 1.00 0.15 C ATOM 369 C ILE A 244 6.807 9.432 3.685 1.00 0.14 C ATOM 370 O ILE A 244 7.501 10.408 3.927 1.00 0.20 O ATOM 371 CB ILE A 244 4.485 10.385 3.835 1.00 0.25 C ATOM 372 CG1 ILE A 244 4.004 9.515 5.000 1.00 0.37 C ATOM 373 CG2 ILE A 244 3.310 10.855 2.990 1.00 0.32 C ATOM 374 CD1 ILE A 244 2.941 10.179 5.844 1.00 0.76 C ATOM 0 H ILE A 244 4.372 7.867 3.187 1.00 0.13 H new ATOM 0 HA ILE A 244 5.671 10.215 2.062 1.00 0.15 H new ATOM 0 HB ILE A 244 4.986 11.256 4.257 1.00 0.25 H new ATOM 0 HG12 ILE A 244 3.612 8.577 4.606 1.00 0.37 H new ATOM 0 HG13 ILE A 244 4.856 9.264 5.632 1.00 0.37 H new ATOM 0 HG21 ILE A 244 2.604 11.398 3.618 1.00 0.32 H new ATOM 0 HG22 ILE A 244 3.671 11.512 2.198 1.00 0.32 H new ATOM 0 HG23 ILE A 244 2.812 9.992 2.547 1.00 0.32 H new ATOM 0 HD11 ILE A 244 2.645 9.508 6.651 1.00 0.76 H new ATOM 0 HD12 ILE A 244 3.336 11.103 6.266 1.00 0.76 H new ATOM 0 HD13 ILE A 244 2.073 10.406 5.224 1.00 0.76 H new ATOM 386 N GLN A 245 7.139 8.188 4.052 1.00 0.12 N ATOM 387 CA GLN A 245 8.463 7.867 4.607 1.00 0.14 C ATOM 388 C GLN A 245 8.830 6.410 4.376 1.00 0.14 C ATOM 389 O GLN A 245 8.277 5.520 5.009 1.00 0.17 O ATOM 390 CB GLN A 245 8.531 8.169 6.103 1.00 0.21 C ATOM 391 CG GLN A 245 8.519 9.648 6.407 1.00 0.33 C ATOM 392 CD GLN A 245 8.700 9.948 7.882 1.00 0.54 C ATOM 393 OE1 GLN A 245 9.825 10.120 8.358 1.00 1.19 O ATOM 394 NE2 GLN A 245 7.603 10.002 8.621 1.00 1.06 N ATOM 0 H GLN A 245 6.511 7.388 3.975 1.00 0.12 H new ATOM 0 HA GLN A 245 9.179 8.500 4.082 1.00 0.14 H new ATOM 0 HB2 GLN A 245 7.687 7.694 6.603 1.00 0.21 H new ATOM 0 HB3 GLN A 245 9.437 7.726 6.517 1.00 0.21 H new ATOM 0 HG2 GLN A 245 9.313 10.137 5.842 1.00 0.33 H new ATOM 0 HG3 GLN A 245 7.576 10.076 6.067 1.00 0.33 H new ATOM 0 HE21 GLN A 245 6.690 9.854 8.190 1.00 1.06 H new ATOM 0 HE22 GLN A 245 7.671 10.191 9.621 1.00 1.06 H new ATOM 403 N LYS A 246 9.733 6.171 3.433 1.00 0.15 N ATOM 404 CA LYS A 246 10.269 4.835 3.203 1.00 0.16 C ATOM 405 C LYS A 246 11.774 4.879 2.990 1.00 0.22 C ATOM 406 O LYS A 246 12.362 5.947 2.794 1.00 0.29 O ATOM 407 CB LYS A 246 9.614 4.169 1.998 1.00 0.18 C ATOM 408 CG LYS A 246 8.967 2.822 2.298 1.00 0.20 C ATOM 409 CD LYS A 246 7.707 2.969 3.137 1.00 0.29 C ATOM 410 CE LYS A 246 6.689 1.898 2.811 1.00 0.28 C ATOM 411 NZ LYS A 246 6.024 2.135 1.502 1.00 0.36 N ATOM 0 H LYS A 246 10.111 6.888 2.813 1.00 0.15 H new ATOM 0 HA LYS A 246 10.047 4.248 4.094 1.00 0.16 H new ATOM 0 HB2 LYS A 246 8.856 4.841 1.594 1.00 0.18 H new ATOM 0 HB3 LYS A 246 10.366 4.032 1.221 1.00 0.18 H new ATOM 0 HG2 LYS A 246 8.722 2.321 1.361 1.00 0.20 H new ATOM 0 HG3 LYS A 246 9.680 2.186 2.823 1.00 0.20 H new ATOM 0 HD2 LYS A 246 7.966 2.915 4.194 1.00 0.29 H new ATOM 0 HD3 LYS A 246 7.268 3.952 2.966 1.00 0.29 H new ATOM 0 HE2 LYS A 246 7.180 0.925 2.796 1.00 0.28 H new ATOM 0 HE3 LYS A 246 5.936 1.863 3.598 1.00 0.28 H new ATOM 0 HZ1 LYS A 246 4.997 2.222 1.645 1.00 0.36 H new ATOM 0 HZ2 LYS A 246 6.390 3.012 1.080 1.00 0.36 H new ATOM 0 HZ3 LYS A 246 6.219 1.337 0.864 1.00 0.36 H new ATOM 425 N ARG A 247 12.379 3.707 3.045 1.00 0.27 N ATOM 426 CA ARG A 247 13.753 3.512 2.615 1.00 0.37 C ATOM 427 C ARG A 247 13.696 2.991 1.192 1.00 0.27 C ATOM 428 O ARG A 247 12.615 2.630 0.731 1.00 0.21 O ATOM 429 CB ARG A 247 14.482 2.496 3.506 1.00 0.55 C ATOM 430 CG ARG A 247 14.042 1.051 3.278 1.00 0.69 C ATOM 431 CD ARG A 247 14.753 0.081 4.207 1.00 0.72 C ATOM 432 NE ARG A 247 13.925 -1.090 4.502 1.00 1.24 N ATOM 433 CZ ARG A 247 14.252 -2.347 4.192 1.00 1.29 C ATOM 434 NH1 ARG A 247 15.419 -2.629 3.628 1.00 1.33 N ATOM 435 NH2 ARG A 247 13.412 -3.335 4.455 1.00 2.10 N ATOM 0 H ARG A 247 11.930 2.859 3.391 1.00 0.27 H new ATOM 0 HA ARG A 247 14.302 4.452 2.682 1.00 0.37 H new ATOM 0 HB2 ARG A 247 15.554 2.572 3.326 1.00 0.55 H new ATOM 0 HB3 ARG A 247 14.314 2.757 4.551 1.00 0.55 H new ATOM 0 HG2 ARG A 247 12.965 0.973 3.429 1.00 0.69 H new ATOM 0 HG3 ARG A 247 14.240 0.772 2.243 1.00 0.69 H new ATOM 0 HD2 ARG A 247 15.689 -0.241 3.750 1.00 0.72 H new ATOM 0 HD3 ARG A 247 15.010 0.589 5.137 1.00 0.72 H new ATOM 0 HE ARG A 247 13.036 -0.935 4.978 1.00 1.24 H new ATOM 0 HH11 ARG A 247 16.081 -1.880 3.425 1.00 1.33 H new ATOM 0 HH12 ARG A 247 15.654 -3.594 3.397 1.00 1.33 H new ATOM 0 HH21 ARG A 247 12.513 -3.137 4.895 1.00 2.10 H new ATOM 0 HH22 ARG A 247 13.663 -4.295 4.218 1.00 2.10 H new ATOM 449 N VAL A 248 14.810 2.987 0.484 1.00 0.32 N ATOM 450 CA VAL A 248 14.871 2.331 -0.796 1.00 0.31 C ATOM 451 C VAL A 248 15.444 0.921 -0.627 1.00 0.26 C ATOM 452 O VAL A 248 16.660 0.726 -0.608 1.00 0.30 O ATOM 453 CB VAL A 248 15.728 3.134 -1.790 1.00 0.45 C ATOM 454 CG1 VAL A 248 15.814 2.410 -3.113 1.00 1.12 C ATOM 455 CG2 VAL A 248 15.164 4.537 -1.974 1.00 1.18 C ATOM 0 H VAL A 248 15.680 3.431 0.778 1.00 0.32 H new ATOM 0 HA VAL A 248 13.860 2.266 -1.198 1.00 0.31 H new ATOM 0 HB VAL A 248 16.735 3.227 -1.384 1.00 0.45 H new ATOM 0 HG11 VAL A 248 16.423 2.990 -3.806 1.00 1.12 H new ATOM 0 HG12 VAL A 248 16.268 1.430 -2.963 1.00 1.12 H new ATOM 0 HG13 VAL A 248 14.813 2.286 -3.526 1.00 1.12 H new ATOM 0 HG21 VAL A 248 15.784 5.089 -2.681 1.00 1.18 H new ATOM 0 HG22 VAL A 248 14.146 4.472 -2.358 1.00 1.18 H new ATOM 0 HG23 VAL A 248 15.158 5.055 -1.015 1.00 1.18 H new ATOM 465 N PRO A 249 14.562 -0.069 -0.435 1.00 0.20 N ATOM 466 CA PRO A 249 14.912 -1.463 -0.298 1.00 0.20 C ATOM 467 C PRO A 249 14.673 -2.251 -1.575 1.00 0.27 C ATOM 468 O PRO A 249 14.090 -1.744 -2.530 1.00 0.34 O ATOM 469 CB PRO A 249 13.953 -1.932 0.793 1.00 0.21 C ATOM 470 CG PRO A 249 12.826 -0.942 0.799 1.00 0.23 C ATOM 471 CD PRO A 249 13.131 0.081 -0.267 1.00 0.22 C ATOM 0 HA PRO A 249 15.968 -1.607 -0.071 1.00 0.20 H new ATOM 0 HB2 PRO A 249 13.588 -2.938 0.587 1.00 0.21 H new ATOM 0 HB3 PRO A 249 14.450 -1.965 1.763 1.00 0.21 H new ATOM 0 HG2 PRO A 249 11.876 -1.438 0.597 1.00 0.23 H new ATOM 0 HG3 PRO A 249 12.736 -0.466 1.776 1.00 0.23 H new ATOM 0 HD2 PRO A 249 12.589 -0.120 -1.191 1.00 0.22 H new ATOM 0 HD3 PRO A 249 12.861 1.089 0.047 1.00 0.22 H new ATOM 479 N ASN A 250 15.139 -3.480 -1.611 1.00 0.31 N ATOM 480 CA ASN A 250 14.835 -4.335 -2.738 1.00 0.39 C ATOM 481 C ASN A 250 13.920 -5.477 -2.358 1.00 0.36 C ATOM 482 O ASN A 250 13.779 -5.832 -1.192 1.00 0.35 O ATOM 483 CB ASN A 250 16.089 -4.860 -3.442 1.00 0.51 C ATOM 484 CG ASN A 250 16.839 -5.984 -2.731 1.00 1.13 C ATOM 485 OD1 ASN A 250 17.470 -6.809 -3.388 1.00 1.97 O ATOM 486 ND2 ASN A 250 16.785 -6.047 -1.411 1.00 1.56 N ATOM 0 H ASN A 250 15.719 -3.904 -0.888 1.00 0.31 H new ATOM 0 HA ASN A 250 14.306 -3.702 -3.450 1.00 0.39 H new ATOM 0 HB2 ASN A 250 15.804 -5.212 -4.433 1.00 0.51 H new ATOM 0 HB3 ASN A 250 16.776 -4.026 -3.585 1.00 0.51 H new ATOM 0 HD21 ASN A 250 17.274 -6.793 -0.916 1.00 1.56 H new ATOM 0 HD22 ASN A 250 16.254 -5.350 -0.888 1.00 1.56 H new ATOM 493 N ALA A 251 13.320 -6.041 -3.382 1.00 0.43 N ATOM 494 CA ALA A 251 12.341 -7.109 -3.244 1.00 0.48 C ATOM 495 C ALA A 251 12.970 -8.412 -2.754 1.00 0.53 C ATOM 496 O ALA A 251 12.262 -9.365 -2.430 1.00 0.60 O ATOM 497 CB ALA A 251 11.617 -7.329 -4.563 1.00 0.59 C ATOM 0 H ALA A 251 13.497 -5.771 -4.350 1.00 0.43 H new ATOM 0 HA ALA A 251 11.622 -6.797 -2.486 1.00 0.48 H new ATOM 0 HB1 ALA A 251 10.887 -8.130 -4.448 1.00 0.59 H new ATOM 0 HB2 ALA A 251 11.106 -6.412 -4.855 1.00 0.59 H new ATOM 0 HB3 ALA A 251 12.338 -7.603 -5.333 1.00 0.59 H new ATOM 503 N TYR A 252 14.294 -8.470 -2.733 1.00 0.54 N ATOM 504 CA TYR A 252 14.991 -9.617 -2.177 1.00 0.65 C ATOM 505 C TYR A 252 14.962 -9.537 -0.654 1.00 0.60 C ATOM 506 O TYR A 252 15.036 -10.547 0.049 1.00 0.69 O ATOM 507 CB TYR A 252 16.430 -9.660 -2.686 1.00 0.77 C ATOM 508 CG TYR A 252 17.190 -10.879 -2.232 1.00 1.63 C ATOM 509 CD1 TYR A 252 16.638 -12.146 -2.336 1.00 1.89 C ATOM 510 CD2 TYR A 252 18.458 -10.755 -1.689 1.00 2.46 C ATOM 511 CE1 TYR A 252 17.333 -13.260 -1.914 1.00 2.83 C ATOM 512 CE2 TYR A 252 19.163 -11.863 -1.262 1.00 3.46 C ATOM 513 CZ TYR A 252 18.582 -13.136 -1.416 1.00 3.61 C ATOM 514 OH TYR A 252 19.291 -14.223 -0.957 1.00 4.61 O ATOM 0 H TYR A 252 14.905 -7.737 -3.094 1.00 0.54 H new ATOM 0 HA TYR A 252 14.492 -10.533 -2.495 1.00 0.65 H new ATOM 0 HB2 TYR A 252 16.423 -9.630 -3.776 1.00 0.77 H new ATOM 0 HB3 TYR A 252 16.954 -8.767 -2.346 1.00 0.77 H new ATOM 0 HD1 TYR A 252 15.649 -12.263 -2.754 1.00 1.89 H new ATOM 0 HD2 TYR A 252 18.903 -9.775 -1.598 1.00 2.46 H new ATOM 0 HE1 TYR A 252 16.876 -14.236 -1.982 1.00 2.83 H new ATOM 0 HE2 TYR A 252 20.142 -11.755 -0.818 1.00 3.46 H new ATOM 0 HH TYR A 252 20.170 -13.929 -0.639 1.00 4.61 H new ATOM 524 N ASP A 253 14.836 -8.315 -0.168 1.00 0.50 N ATOM 525 CA ASP A 253 14.704 -8.037 1.252 1.00 0.51 C ATOM 526 C ASP A 253 13.289 -8.320 1.682 1.00 0.48 C ATOM 527 O ASP A 253 12.451 -7.417 1.704 1.00 0.43 O ATOM 528 CB ASP A 253 15.028 -6.574 1.516 1.00 0.49 C ATOM 529 CG ASP A 253 15.151 -6.246 2.990 1.00 0.79 C ATOM 530 OD1 ASP A 253 16.198 -6.575 3.586 1.00 0.85 O ATOM 531 OD2 ASP A 253 14.213 -5.659 3.564 1.00 1.32 O ATOM 0 H ASP A 253 14.822 -7.480 -0.753 1.00 0.50 H new ATOM 0 HA ASP A 253 15.393 -8.668 1.814 1.00 0.51 H new ATOM 0 HB2 ASP A 253 15.962 -6.319 1.015 1.00 0.49 H new ATOM 0 HB3 ASP A 253 14.250 -5.951 1.076 1.00 0.49 H new ATOM 536 N LYS A 254 13.023 -9.572 2.030 1.00 0.55 N ATOM 537 CA LYS A 254 11.669 -10.052 2.103 1.00 0.55 C ATOM 538 C LYS A 254 11.042 -9.816 0.749 1.00 0.49 C ATOM 539 O LYS A 254 11.194 -10.631 -0.157 1.00 0.54 O ATOM 540 CB LYS A 254 10.876 -9.371 3.229 1.00 0.57 C ATOM 541 CG LYS A 254 11.271 -9.855 4.612 1.00 0.73 C ATOM 542 CD LYS A 254 11.719 -8.718 5.522 1.00 1.32 C ATOM 543 CE LYS A 254 13.009 -8.076 5.034 1.00 1.62 C ATOM 544 NZ LYS A 254 13.612 -7.180 6.055 1.00 2.40 N ATOM 0 H LYS A 254 13.733 -10.265 2.264 1.00 0.55 H new ATOM 0 HA LYS A 254 11.657 -11.114 2.347 1.00 0.55 H new ATOM 0 HB2 LYS A 254 11.027 -8.293 3.171 1.00 0.57 H new ATOM 0 HB3 LYS A 254 9.812 -9.553 3.077 1.00 0.57 H new ATOM 0 HG2 LYS A 254 10.426 -10.370 5.068 1.00 0.73 H new ATOM 0 HG3 LYS A 254 12.077 -10.583 4.522 1.00 0.73 H new ATOM 0 HD2 LYS A 254 10.934 -7.963 5.573 1.00 1.32 H new ATOM 0 HD3 LYS A 254 11.862 -9.098 6.534 1.00 1.32 H new ATOM 0 HE2 LYS A 254 13.723 -8.856 4.770 1.00 1.62 H new ATOM 0 HE3 LYS A 254 12.809 -7.507 4.126 1.00 1.62 H new ATOM 0 HZ1 LYS A 254 14.032 -6.352 5.586 1.00 2.40 H new ATOM 0 HZ2 LYS A 254 12.876 -6.865 6.719 1.00 2.40 H new ATOM 0 HZ3 LYS A 254 14.351 -7.695 6.576 1.00 2.40 H new ATOM 558 N THR A 255 10.356 -8.703 0.610 1.00 0.42 N ATOM 559 CA THR A 255 9.871 -8.275 -0.687 1.00 0.39 C ATOM 560 C THR A 255 9.981 -6.765 -0.878 1.00 0.31 C ATOM 561 O THR A 255 9.641 -6.262 -1.927 1.00 0.32 O ATOM 562 CB THR A 255 8.422 -8.738 -0.911 1.00 0.47 C ATOM 563 OG1 THR A 255 7.645 -8.486 0.272 1.00 0.49 O ATOM 564 CG2 THR A 255 8.379 -10.217 -1.252 1.00 0.60 C ATOM 0 H THR A 255 10.120 -8.076 1.379 1.00 0.42 H new ATOM 0 HA THR A 255 10.512 -8.745 -1.433 1.00 0.39 H new ATOM 0 HB THR A 255 8.002 -8.179 -1.747 1.00 0.47 H new ATOM 0 HG1 THR A 255 6.722 -8.780 0.126 1.00 0.49 H new ATOM 0 HG21 THR A 255 7.345 -10.525 -1.407 1.00 0.60 H new ATOM 0 HG22 THR A 255 8.951 -10.397 -2.162 1.00 0.60 H new ATOM 0 HG23 THR A 255 8.810 -10.792 -0.432 1.00 0.60 H new ATOM 572 N ALA A 256 10.540 -6.095 0.120 1.00 0.26 N ATOM 573 CA ALA A 256 10.360 -4.652 0.372 1.00 0.21 C ATOM 574 C ALA A 256 10.160 -3.727 -0.851 1.00 0.17 C ATOM 575 O ALA A 256 10.923 -3.752 -1.820 1.00 0.21 O ATOM 576 CB ALA A 256 11.518 -4.161 1.209 1.00 0.23 C ATOM 0 H ALA A 256 11.151 -6.544 0.803 1.00 0.26 H new ATOM 0 HA ALA A 256 9.402 -4.583 0.887 1.00 0.21 H new ATOM 0 HB1 ALA A 256 11.400 -3.095 1.404 1.00 0.23 H new ATOM 0 HB2 ALA A 256 11.539 -4.703 2.155 1.00 0.23 H new ATOM 0 HB3 ALA A 256 12.452 -4.330 0.673 1.00 0.23 H new ATOM 582 N LEU A 257 9.113 -2.877 -0.739 1.00 0.14 N ATOM 583 CA LEU A 257 8.811 -1.806 -1.705 1.00 0.14 C ATOM 584 C LEU A 257 9.952 -0.808 -1.808 1.00 0.13 C ATOM 585 O LEU A 257 10.283 -0.156 -0.822 1.00 0.15 O ATOM 586 CB LEU A 257 7.568 -0.995 -1.275 1.00 0.15 C ATOM 587 CG LEU A 257 6.213 -1.495 -1.745 1.00 0.16 C ATOM 588 CD1 LEU A 257 6.278 -1.962 -3.186 1.00 0.21 C ATOM 589 CD2 LEU A 257 5.702 -2.579 -0.829 1.00 0.21 C ATOM 0 H LEU A 257 8.450 -2.920 0.035 1.00 0.14 H new ATOM 0 HA LEU A 257 8.644 -2.307 -2.659 1.00 0.14 H new ATOM 0 HB2 LEU A 257 7.553 -0.953 -0.186 1.00 0.15 H new ATOM 0 HB3 LEU A 257 7.692 0.027 -1.632 1.00 0.15 H new ATOM 0 HG LEU A 257 5.505 -0.667 -1.705 1.00 0.16 H new ATOM 0 HD11 LEU A 257 5.295 -2.315 -3.499 1.00 0.21 H new ATOM 0 HD12 LEU A 257 6.585 -1.133 -3.824 1.00 0.21 H new ATOM 0 HD13 LEU A 257 7.000 -2.774 -3.273 1.00 0.21 H new ATOM 0 HD21 LEU A 257 4.730 -2.925 -1.181 1.00 0.21 H new ATOM 0 HD22 LEU A 257 6.404 -3.413 -0.825 1.00 0.21 H new ATOM 0 HD23 LEU A 257 5.602 -2.184 0.182 1.00 0.21 H new ATOM 601 N ALA A 258 10.511 -0.643 -2.997 1.00 0.14 N ATOM 602 CA ALA A 258 11.520 0.386 -3.216 1.00 0.16 C ATOM 603 C ALA A 258 10.872 1.713 -3.584 1.00 0.17 C ATOM 604 O ALA A 258 10.482 1.914 -4.736 1.00 0.24 O ATOM 605 CB ALA A 258 12.475 -0.026 -4.316 1.00 0.22 C ATOM 0 H ALA A 258 10.287 -1.202 -3.820 1.00 0.14 H new ATOM 0 HA ALA A 258 12.074 0.507 -2.285 1.00 0.16 H new ATOM 0 HB1 ALA A 258 13.220 0.756 -4.463 1.00 0.22 H new ATOM 0 HB2 ALA A 258 12.974 -0.954 -4.036 1.00 0.22 H new ATOM 0 HB3 ALA A 258 11.920 -0.177 -5.242 1.00 0.22 H new ATOM 611 N LEU A 259 10.747 2.611 -2.613 1.00 0.13 N ATOM 612 CA LEU A 259 10.142 3.913 -2.863 1.00 0.15 C ATOM 613 C LEU A 259 10.612 4.947 -1.845 1.00 0.15 C ATOM 614 O LEU A 259 11.186 4.609 -0.812 1.00 0.18 O ATOM 615 CB LEU A 259 8.600 3.826 -2.911 1.00 0.20 C ATOM 616 CG LEU A 259 7.973 2.565 -2.312 1.00 0.19 C ATOM 617 CD1 LEU A 259 8.238 2.483 -0.827 1.00 0.66 C ATOM 618 CD2 LEU A 259 6.480 2.538 -2.576 1.00 0.55 C ATOM 0 H LEU A 259 11.054 2.462 -1.652 1.00 0.13 H new ATOM 0 HA LEU A 259 10.476 4.244 -3.846 1.00 0.15 H new ATOM 0 HB2 LEU A 259 8.192 4.692 -2.389 1.00 0.20 H new ATOM 0 HB3 LEU A 259 8.285 3.903 -3.952 1.00 0.20 H new ATOM 0 HG LEU A 259 8.432 1.701 -2.792 1.00 0.19 H new ATOM 0 HD11 LEU A 259 7.782 1.578 -0.425 1.00 0.66 H new ATOM 0 HD12 LEU A 259 9.313 2.457 -0.650 1.00 0.66 H new ATOM 0 HD13 LEU A 259 7.810 3.355 -0.332 1.00 0.66 H new ATOM 0 HD21 LEU A 259 6.050 1.635 -2.143 1.00 0.55 H new ATOM 0 HD22 LEU A 259 6.015 3.414 -2.124 1.00 0.55 H new ATOM 0 HD23 LEU A 259 6.300 2.546 -3.651 1.00 0.55 H new ATOM 630 N GLU A 260 10.341 6.202 -2.148 1.00 0.18 N ATOM 631 CA GLU A 260 10.853 7.331 -1.408 1.00 0.24 C ATOM 632 C GLU A 260 9.693 8.064 -0.743 1.00 0.20 C ATOM 633 O GLU A 260 8.537 7.671 -0.866 1.00 0.21 O ATOM 634 CB GLU A 260 11.584 8.266 -2.395 1.00 0.39 C ATOM 635 CG GLU A 260 11.991 9.618 -1.828 1.00 0.52 C ATOM 636 CD GLU A 260 13.380 9.620 -1.233 1.00 0.96 C ATOM 637 OE1 GLU A 260 14.348 9.814 -1.995 1.00 1.27 O ATOM 638 OE2 GLU A 260 13.514 9.399 -0.012 1.00 1.74 O ATOM 0 H GLU A 260 9.746 6.467 -2.933 1.00 0.18 H new ATOM 0 HA GLU A 260 11.547 7.002 -0.634 1.00 0.24 H new ATOM 0 HB2 GLU A 260 12.478 7.758 -2.757 1.00 0.39 H new ATOM 0 HB3 GLU A 260 10.940 8.431 -3.258 1.00 0.39 H new ATOM 0 HG2 GLU A 260 11.940 10.367 -2.619 1.00 0.52 H new ATOM 0 HG3 GLU A 260 11.274 9.914 -1.062 1.00 0.52 H new ATOM 645 N VAL A 261 10.019 9.111 -0.035 1.00 0.33 N ATOM 646 CA VAL A 261 9.052 10.041 0.477 1.00 0.32 C ATOM 647 C VAL A 261 8.422 10.850 -0.642 1.00 0.22 C ATOM 648 O VAL A 261 9.118 11.548 -1.384 1.00 0.28 O ATOM 649 CB VAL A 261 9.750 10.960 1.463 1.00 0.43 C ATOM 650 CG1 VAL A 261 8.821 12.050 1.963 1.00 0.92 C ATOM 651 CG2 VAL A 261 10.275 10.091 2.565 1.00 0.93 C ATOM 0 H VAL A 261 10.982 9.345 0.206 1.00 0.33 H new ATOM 0 HA VAL A 261 8.251 9.493 0.973 1.00 0.32 H new ATOM 0 HB VAL A 261 10.574 11.493 0.989 1.00 0.43 H new ATOM 0 HG11 VAL A 261 9.355 12.689 2.667 1.00 0.92 H new ATOM 0 HG12 VAL A 261 8.475 12.648 1.120 1.00 0.92 H new ATOM 0 HG13 VAL A 261 7.964 11.597 2.462 1.00 0.92 H new ATOM 0 HG21 VAL A 261 10.788 10.709 3.302 1.00 0.93 H new ATOM 0 HG22 VAL A 261 9.446 9.568 3.043 1.00 0.93 H new ATOM 0 HG23 VAL A 261 10.974 9.363 2.153 1.00 0.93 H new ATOM 661 N GLY A 262 7.110 10.753 -0.764 1.00 0.17 N ATOM 662 CA GLY A 262 6.421 11.510 -1.771 1.00 0.20 C ATOM 663 C GLY A 262 5.950 10.639 -2.905 1.00 0.22 C ATOM 664 O GLY A 262 5.307 11.114 -3.841 1.00 0.31 O ATOM 0 H GLY A 262 6.515 10.163 -0.183 1.00 0.17 H new ATOM 0 HA2 GLY A 262 5.566 12.016 -1.323 1.00 0.20 H new ATOM 0 HA3 GLY A 262 7.083 12.285 -2.159 1.00 0.20 H new ATOM 668 N GLU A 263 6.247 9.356 -2.808 1.00 0.16 N ATOM 669 CA GLU A 263 5.979 8.434 -3.884 1.00 0.18 C ATOM 670 C GLU A 263 4.632 7.752 -3.687 1.00 0.15 C ATOM 671 O GLU A 263 3.970 7.955 -2.669 1.00 0.19 O ATOM 672 CB GLU A 263 7.094 7.405 -3.928 1.00 0.23 C ATOM 673 CG GLU A 263 8.473 8.032 -3.860 1.00 0.26 C ATOM 674 CD GLU A 263 8.889 8.660 -5.168 1.00 0.61 C ATOM 675 OE1 GLU A 263 8.896 7.961 -6.198 1.00 1.02 O ATOM 676 OE2 GLU A 263 9.204 9.870 -5.172 1.00 1.04 O ATOM 0 H GLU A 263 6.677 8.931 -1.986 1.00 0.16 H new ATOM 0 HA GLU A 263 5.939 8.977 -4.828 1.00 0.18 H new ATOM 0 HB2 GLU A 263 6.974 6.710 -3.097 1.00 0.23 H new ATOM 0 HB3 GLU A 263 7.009 6.823 -4.845 1.00 0.23 H new ATOM 0 HG2 GLU A 263 8.485 8.790 -3.077 1.00 0.26 H new ATOM 0 HG3 GLU A 263 9.201 7.271 -3.579 1.00 0.26 H new ATOM 683 N LEU A 264 4.234 6.938 -4.645 1.00 0.14 N ATOM 684 CA LEU A 264 2.963 6.244 -4.569 1.00 0.13 C ATOM 685 C LEU A 264 3.164 4.763 -4.851 1.00 0.15 C ATOM 686 O LEU A 264 4.127 4.380 -5.510 1.00 0.24 O ATOM 687 CB LEU A 264 1.979 6.840 -5.580 1.00 0.15 C ATOM 688 CG LEU A 264 0.513 6.466 -5.369 1.00 0.14 C ATOM 689 CD1 LEU A 264 -0.040 7.177 -4.148 1.00 0.14 C ATOM 690 CD2 LEU A 264 -0.305 6.804 -6.605 1.00 0.18 C ATOM 0 H LEU A 264 4.774 6.740 -5.487 1.00 0.14 H new ATOM 0 HA LEU A 264 2.554 6.362 -3.566 1.00 0.13 H new ATOM 0 HB2 LEU A 264 2.067 7.926 -5.550 1.00 0.15 H new ATOM 0 HB3 LEU A 264 2.276 6.524 -6.580 1.00 0.15 H new ATOM 0 HG LEU A 264 0.447 5.391 -5.201 1.00 0.14 H new ATOM 0 HD11 LEU A 264 -1.085 6.902 -4.009 1.00 0.14 H new ATOM 0 HD12 LEU A 264 0.532 6.886 -3.267 1.00 0.14 H new ATOM 0 HD13 LEU A 264 0.036 8.255 -4.289 1.00 0.14 H new ATOM 0 HD21 LEU A 264 -1.347 6.531 -6.438 1.00 0.18 H new ATOM 0 HD22 LEU A 264 -0.238 7.873 -6.805 1.00 0.18 H new ATOM 0 HD23 LEU A 264 0.082 6.250 -7.460 1.00 0.18 H new ATOM 702 N VAL A 265 2.262 3.938 -4.348 1.00 0.14 N ATOM 703 CA VAL A 265 2.322 2.509 -4.589 1.00 0.15 C ATOM 704 C VAL A 265 0.905 1.983 -4.768 1.00 0.15 C ATOM 705 O VAL A 265 -0.028 2.523 -4.184 1.00 0.27 O ATOM 706 CB VAL A 265 3.034 1.764 -3.423 1.00 0.20 C ATOM 707 CG1 VAL A 265 2.059 1.092 -2.484 1.00 0.40 C ATOM 708 CG2 VAL A 265 3.989 0.724 -3.938 1.00 0.41 C ATOM 0 H VAL A 265 1.477 4.236 -3.768 1.00 0.14 H new ATOM 0 HA VAL A 265 2.905 2.327 -5.492 1.00 0.15 H new ATOM 0 HB VAL A 265 3.579 2.532 -2.874 1.00 0.20 H new ATOM 0 HG11 VAL A 265 2.608 0.587 -1.689 1.00 0.40 H new ATOM 0 HG12 VAL A 265 1.398 1.841 -2.049 1.00 0.40 H new ATOM 0 HG13 VAL A 265 1.467 0.362 -3.036 1.00 0.40 H new ATOM 0 HG21 VAL A 265 4.469 0.223 -3.097 1.00 0.41 H new ATOM 0 HG22 VAL A 265 3.443 -0.008 -4.533 1.00 0.41 H new ATOM 0 HG23 VAL A 265 4.748 1.202 -4.557 1.00 0.41 H new ATOM 718 N LYS A 266 0.735 0.960 -5.581 1.00 0.13 N ATOM 719 CA LYS A 266 -0.568 0.342 -5.732 1.00 0.15 C ATOM 720 C LYS A 266 -0.579 -0.934 -4.917 1.00 0.13 C ATOM 721 O LYS A 266 -0.023 -1.953 -5.326 1.00 0.14 O ATOM 722 CB LYS A 266 -0.886 0.061 -7.216 1.00 0.24 C ATOM 723 CG LYS A 266 -2.292 -0.467 -7.487 1.00 0.85 C ATOM 724 CD LYS A 266 -2.452 -1.951 -7.172 1.00 0.49 C ATOM 725 CE LYS A 266 -1.834 -2.854 -8.237 1.00 0.82 C ATOM 726 NZ LYS A 266 -0.362 -2.663 -8.381 1.00 1.32 N ATOM 0 H LYS A 266 1.476 0.541 -6.143 1.00 0.13 H new ATOM 0 HA LYS A 266 -1.343 1.019 -5.371 1.00 0.15 H new ATOM 0 HB2 LYS A 266 -0.745 0.981 -7.783 1.00 0.24 H new ATOM 0 HB3 LYS A 266 -0.164 -0.661 -7.596 1.00 0.24 H new ATOM 0 HG2 LYS A 266 -3.007 0.102 -6.893 1.00 0.85 H new ATOM 0 HG3 LYS A 266 -2.541 -0.296 -8.534 1.00 0.85 H new ATOM 0 HD2 LYS A 266 -1.989 -2.165 -6.208 1.00 0.49 H new ATOM 0 HD3 LYS A 266 -3.512 -2.185 -7.075 1.00 0.49 H new ATOM 0 HE2 LYS A 266 -2.037 -3.895 -7.985 1.00 0.82 H new ATOM 0 HE3 LYS A 266 -2.316 -2.658 -9.195 1.00 0.82 H new ATOM 0 HZ1 LYS A 266 0.062 -3.524 -8.781 1.00 1.32 H new ATOM 0 HZ2 LYS A 266 -0.177 -1.859 -9.014 1.00 1.32 H new ATOM 0 HZ3 LYS A 266 0.056 -2.472 -7.448 1.00 1.32 H new ATOM 740 N VAL A 267 -1.198 -0.868 -3.757 1.00 0.16 N ATOM 741 CA VAL A 267 -1.252 -2.004 -2.870 1.00 0.16 C ATOM 742 C VAL A 267 -2.283 -3.005 -3.382 1.00 0.17 C ATOM 743 O VAL A 267 -3.488 -2.743 -3.369 1.00 0.25 O ATOM 744 CB VAL A 267 -1.600 -1.584 -1.427 1.00 0.20 C ATOM 745 CG1 VAL A 267 -1.505 -2.758 -0.489 1.00 0.55 C ATOM 746 CG2 VAL A 267 -0.701 -0.451 -0.959 1.00 0.63 C ATOM 0 H VAL A 267 -1.672 -0.035 -3.408 1.00 0.16 H new ATOM 0 HA VAL A 267 -0.265 -2.465 -2.853 1.00 0.16 H new ATOM 0 HB VAL A 267 -2.629 -1.225 -1.422 1.00 0.20 H new ATOM 0 HG11 VAL A 267 -1.755 -2.437 0.522 1.00 0.55 H new ATOM 0 HG12 VAL A 267 -2.202 -3.534 -0.806 1.00 0.55 H new ATOM 0 HG13 VAL A 267 -0.490 -3.154 -0.503 1.00 0.55 H new ATOM 0 HG21 VAL A 267 -0.967 -0.173 0.061 1.00 0.63 H new ATOM 0 HG22 VAL A 267 0.339 -0.776 -0.987 1.00 0.63 H new ATOM 0 HG23 VAL A 267 -0.830 0.410 -1.615 1.00 0.63 H new ATOM 756 N THR A 268 -1.790 -4.136 -3.861 1.00 0.15 N ATOM 757 CA THR A 268 -2.629 -5.190 -4.387 1.00 0.19 C ATOM 758 C THR A 268 -3.088 -6.109 -3.260 1.00 0.22 C ATOM 759 O THR A 268 -4.061 -6.855 -3.394 1.00 0.34 O ATOM 760 CB THR A 268 -1.864 -6.006 -5.458 1.00 0.24 C ATOM 761 OG1 THR A 268 -2.589 -7.186 -5.825 1.00 0.32 O ATOM 762 CG2 THR A 268 -0.479 -6.398 -4.957 1.00 0.29 C ATOM 0 H THR A 268 -0.792 -4.345 -3.894 1.00 0.15 H new ATOM 0 HA THR A 268 -3.504 -4.736 -4.852 1.00 0.19 H new ATOM 0 HB THR A 268 -1.759 -5.369 -6.336 1.00 0.24 H new ATOM 0 HG1 THR A 268 -2.085 -7.682 -6.503 1.00 0.32 H new ATOM 0 HG21 THR A 268 0.038 -6.970 -5.727 1.00 0.29 H new ATOM 0 HG22 THR A 268 0.093 -5.499 -4.728 1.00 0.29 H new ATOM 0 HG23 THR A 268 -0.576 -7.006 -4.057 1.00 0.29 H new ATOM 770 N LYS A 269 -2.392 -6.035 -2.135 1.00 0.18 N ATOM 771 CA LYS A 269 -2.652 -6.923 -1.030 1.00 0.20 C ATOM 772 C LYS A 269 -3.316 -6.167 0.099 1.00 0.22 C ATOM 773 O LYS A 269 -2.647 -5.577 0.921 1.00 0.35 O ATOM 774 CB LYS A 269 -1.333 -7.531 -0.574 1.00 0.23 C ATOM 775 CG LYS A 269 -1.464 -8.833 0.185 1.00 0.40 C ATOM 776 CD LYS A 269 -1.365 -10.052 -0.733 1.00 1.55 C ATOM 777 CE LYS A 269 -2.268 -9.920 -1.948 1.00 2.25 C ATOM 778 NZ LYS A 269 -2.234 -11.124 -2.818 1.00 2.84 N ATOM 0 H LYS A 269 -1.642 -5.364 -1.971 1.00 0.18 H new ATOM 0 HA LYS A 269 -3.328 -7.720 -1.341 1.00 0.20 H new ATOM 0 HB2 LYS A 269 -0.704 -7.698 -1.449 1.00 0.23 H new ATOM 0 HB3 LYS A 269 -0.815 -6.809 0.057 1.00 0.23 H new ATOM 0 HG2 LYS A 269 -0.684 -8.888 0.944 1.00 0.40 H new ATOM 0 HG3 LYS A 269 -2.420 -8.852 0.708 1.00 0.40 H new ATOM 0 HD2 LYS A 269 -0.333 -10.178 -1.060 1.00 1.55 H new ATOM 0 HD3 LYS A 269 -1.635 -10.949 -0.176 1.00 1.55 H new ATOM 0 HE2 LYS A 269 -3.292 -9.743 -1.618 1.00 2.25 H new ATOM 0 HE3 LYS A 269 -1.965 -9.048 -2.528 1.00 2.25 H new ATOM 0 HZ1 LYS A 269 -2.866 -10.982 -3.631 1.00 2.84 H new ATOM 0 HZ2 LYS A 269 -1.263 -11.280 -3.157 1.00 2.84 H new ATOM 0 HZ3 LYS A 269 -2.549 -11.954 -2.275 1.00 2.84 H new ATOM 792 N ILE A 270 -4.635 -6.174 0.124 1.00 0.33 N ATOM 793 CA ILE A 270 -5.366 -5.407 1.125 1.00 0.39 C ATOM 794 C ILE A 270 -5.486 -6.210 2.416 1.00 0.55 C ATOM 795 O ILE A 270 -5.543 -7.439 2.387 1.00 0.73 O ATOM 796 CB ILE A 270 -6.768 -4.988 0.631 1.00 0.56 C ATOM 797 CG1 ILE A 270 -7.694 -6.198 0.499 1.00 0.93 C ATOM 798 CG2 ILE A 270 -6.651 -4.259 -0.700 1.00 1.09 C ATOM 799 CD1 ILE A 270 -9.119 -5.834 0.142 1.00 1.90 C ATOM 0 H ILE A 270 -5.221 -6.695 -0.528 1.00 0.33 H new ATOM 0 HA ILE A 270 -4.800 -4.495 1.312 1.00 0.39 H new ATOM 0 HB ILE A 270 -7.205 -4.316 1.369 1.00 0.56 H new ATOM 0 HG12 ILE A 270 -7.297 -6.868 -0.264 1.00 0.93 H new ATOM 0 HG13 ILE A 270 -7.693 -6.750 1.439 1.00 0.93 H new ATOM 0 HG21 ILE A 270 -7.643 -3.966 -1.043 1.00 1.09 H new ATOM 0 HG22 ILE A 270 -6.033 -3.370 -0.575 1.00 1.09 H new ATOM 0 HG23 ILE A 270 -6.192 -4.918 -1.437 1.00 1.09 H new ATOM 0 HD11 ILE A 270 -9.718 -6.741 0.065 1.00 1.90 H new ATOM 0 HD12 ILE A 270 -9.535 -5.189 0.916 1.00 1.90 H new ATOM 0 HD13 ILE A 270 -9.132 -5.309 -0.813 1.00 1.90 H new ATOM 811 N ASN A 271 -5.519 -5.523 3.549 1.00 0.60 N ATOM 812 CA ASN A 271 -5.515 -6.197 4.842 1.00 0.82 C ATOM 813 C ASN A 271 -6.390 -5.473 5.843 1.00 0.70 C ATOM 814 O ASN A 271 -7.092 -4.524 5.500 1.00 0.87 O ATOM 815 CB ASN A 271 -4.097 -6.305 5.411 1.00 1.17 C ATOM 816 CG ASN A 271 -3.215 -7.243 4.622 1.00 1.58 C ATOM 817 OD1 ASN A 271 -3.190 -8.450 4.863 1.00 2.28 O ATOM 818 ND2 ASN A 271 -2.481 -6.688 3.684 1.00 1.88 N ATOM 0 H ASN A 271 -5.549 -4.505 3.601 1.00 0.60 H new ATOM 0 HA ASN A 271 -5.912 -7.198 4.674 1.00 0.82 H new ATOM 0 HB2 ASN A 271 -3.642 -5.315 5.428 1.00 1.17 H new ATOM 0 HB3 ASN A 271 -4.151 -6.649 6.444 1.00 1.17 H new ATOM 0 HD21 ASN A 271 -1.856 -7.263 3.119 1.00 1.88 H new ATOM 0 HD22 ASN A 271 -2.536 -5.683 3.521 1.00 1.88 H new ATOM 825 N MET A 272 -6.322 -5.925 7.086 1.00 0.81 N ATOM 826 CA MET A 272 -7.134 -5.374 8.158 1.00 0.97 C ATOM 827 C MET A 272 -6.362 -4.355 8.987 1.00 1.02 C ATOM 828 O MET A 272 -6.887 -3.304 9.347 1.00 1.22 O ATOM 829 CB MET A 272 -7.628 -6.504 9.066 1.00 1.24 C ATOM 830 CG MET A 272 -6.520 -7.461 9.487 1.00 1.30 C ATOM 831 SD MET A 272 -7.003 -8.560 10.833 1.00 2.03 S ATOM 832 CE MET A 272 -5.533 -9.582 10.969 1.00 2.52 C ATOM 0 H MET A 272 -5.704 -6.682 7.379 1.00 0.81 H new ATOM 0 HA MET A 272 -7.982 -4.862 7.702 1.00 0.97 H new ATOM 0 HB2 MET A 272 -8.085 -6.073 9.957 1.00 1.24 H new ATOM 0 HB3 MET A 272 -8.406 -7.064 8.548 1.00 1.24 H new ATOM 0 HG2 MET A 272 -6.220 -8.060 8.627 1.00 1.30 H new ATOM 0 HG3 MET A 272 -5.647 -6.884 9.793 1.00 1.30 H new ATOM 0 HE1 MET A 272 -5.673 -10.317 11.762 1.00 2.52 H new ATOM 0 HE2 MET A 272 -5.359 -10.097 10.024 1.00 2.52 H new ATOM 0 HE3 MET A 272 -4.674 -8.954 11.203 1.00 2.52 H new ATOM 842 N SER A 273 -5.110 -4.667 9.274 1.00 0.93 N ATOM 843 CA SER A 273 -4.319 -3.869 10.202 1.00 1.02 C ATOM 844 C SER A 273 -3.557 -2.746 9.498 1.00 0.91 C ATOM 845 O SER A 273 -2.784 -2.027 10.132 1.00 1.14 O ATOM 846 CB SER A 273 -3.339 -4.775 10.948 1.00 1.14 C ATOM 847 OG SER A 273 -4.013 -5.867 11.554 1.00 1.50 O ATOM 0 H SER A 273 -4.617 -5.467 8.879 1.00 0.93 H new ATOM 0 HA SER A 273 -5.008 -3.401 10.905 1.00 1.02 H new ATOM 0 HB2 SER A 273 -2.585 -5.148 10.255 1.00 1.14 H new ATOM 0 HB3 SER A 273 -2.815 -4.199 11.710 1.00 1.14 H new ATOM 0 HG SER A 273 -3.364 -6.432 12.023 1.00 1.50 H new ATOM 853 N GLY A 274 -3.750 -2.597 8.190 1.00 0.64 N ATOM 854 CA GLY A 274 -3.060 -1.540 7.483 1.00 0.61 C ATOM 855 C GLY A 274 -1.657 -1.955 7.120 1.00 0.49 C ATOM 856 O GLY A 274 -0.857 -1.148 6.658 1.00 0.57 O ATOM 0 H GLY A 274 -4.361 -3.180 7.618 1.00 0.64 H new ATOM 0 HA2 GLY A 274 -3.612 -1.283 6.579 1.00 0.61 H new ATOM 0 HA3 GLY A 274 -3.029 -0.644 8.103 1.00 0.61 H new ATOM 860 N GLN A 275 -1.359 -3.226 7.333 1.00 0.41 N ATOM 861 CA GLN A 275 -0.050 -3.753 7.021 1.00 0.40 C ATOM 862 C GLN A 275 -0.169 -4.608 5.784 1.00 0.32 C ATOM 863 O GLN A 275 -0.440 -5.804 5.868 1.00 0.41 O ATOM 864 CB GLN A 275 0.508 -4.557 8.194 1.00 0.56 C ATOM 865 CG GLN A 275 1.961 -4.966 8.017 1.00 0.69 C ATOM 866 CD GLN A 275 2.543 -5.586 9.271 1.00 0.76 C ATOM 867 OE1 GLN A 275 2.492 -6.799 9.464 1.00 1.36 O ATOM 868 NE2 GLN A 275 3.090 -4.752 10.139 1.00 0.81 N ATOM 0 H GLN A 275 -2.010 -3.909 7.721 1.00 0.41 H new ATOM 0 HA GLN A 275 0.646 -2.935 6.837 1.00 0.40 H new ATOM 0 HB2 GLN A 275 0.414 -3.966 9.105 1.00 0.56 H new ATOM 0 HB3 GLN A 275 -0.098 -5.452 8.331 1.00 0.56 H new ATOM 0 HG2 GLN A 275 2.038 -5.677 7.194 1.00 0.69 H new ATOM 0 HG3 GLN A 275 2.550 -4.092 7.740 1.00 0.69 H new ATOM 0 HE21 GLN A 275 3.112 -3.752 9.941 1.00 0.81 H new ATOM 0 HE22 GLN A 275 3.490 -5.109 11.007 1.00 0.81 H new ATOM 877 N TRP A 276 -0.038 -3.969 4.642 1.00 0.22 N ATOM 878 CA TRP A 276 -0.273 -4.625 3.379 1.00 0.17 C ATOM 879 C TRP A 276 0.986 -4.766 2.561 1.00 0.15 C ATOM 880 O TRP A 276 2.068 -4.319 2.950 1.00 0.19 O ATOM 881 CB TRP A 276 -1.297 -3.858 2.554 1.00 0.18 C ATOM 882 CG TRP A 276 -1.520 -2.440 2.979 1.00 0.21 C ATOM 883 CD1 TRP A 276 -0.604 -1.426 2.998 1.00 0.26 C ATOM 884 CD2 TRP A 276 -2.757 -1.876 3.418 1.00 0.28 C ATOM 885 NE1 TRP A 276 -1.197 -0.269 3.442 1.00 0.31 N ATOM 886 CE2 TRP A 276 -2.521 -0.520 3.700 1.00 0.31 C ATOM 887 CE3 TRP A 276 -4.041 -2.390 3.602 1.00 0.38 C ATOM 888 CZ2 TRP A 276 -3.526 0.326 4.156 1.00 0.40 C ATOM 889 CZ3 TRP A 276 -5.037 -1.548 4.054 1.00 0.48 C ATOM 890 CH2 TRP A 276 -4.775 -0.202 4.327 1.00 0.47 C ATOM 0 H TRP A 276 0.232 -2.988 4.565 1.00 0.22 H new ATOM 0 HA TRP A 276 -0.647 -5.620 3.619 1.00 0.17 H new ATOM 0 HB2 TRP A 276 -0.978 -3.863 1.512 1.00 0.18 H new ATOM 0 HB3 TRP A 276 -2.248 -4.389 2.599 1.00 0.18 H new ATOM 0 HD1 TRP A 276 0.432 -1.520 2.707 1.00 0.26 H new ATOM 0 HE1 TRP A 276 -0.729 0.630 3.560 1.00 0.31 H new ATOM 0 HE3 TRP A 276 -4.252 -3.429 3.394 1.00 0.38 H new ATOM 0 HZ2 TRP A 276 -3.326 1.366 4.368 1.00 0.40 H new ATOM 0 HZ3 TRP A 276 -6.035 -1.935 4.199 1.00 0.48 H new ATOM 0 HH2 TRP A 276 -5.575 0.432 4.680 1.00 0.47 H new ATOM 901 N GLU A 277 0.808 -5.370 1.403 1.00 0.12 N ATOM 902 CA GLU A 277 1.869 -5.568 0.472 1.00 0.12 C ATOM 903 C GLU A 277 1.671 -4.633 -0.687 1.00 0.11 C ATOM 904 O GLU A 277 0.609 -4.616 -1.287 1.00 0.12 O ATOM 905 CB GLU A 277 1.861 -6.989 -0.054 1.00 0.14 C ATOM 906 CG GLU A 277 2.424 -8.028 0.896 1.00 0.19 C ATOM 907 CD GLU A 277 1.676 -8.167 2.210 1.00 1.21 C ATOM 908 OE1 GLU A 277 0.445 -7.976 2.233 1.00 1.55 O ATOM 909 OE2 GLU A 277 2.326 -8.509 3.220 1.00 2.07 O ATOM 0 H GLU A 277 -0.092 -5.736 1.091 1.00 0.12 H new ATOM 0 HA GLU A 277 2.818 -5.378 0.973 1.00 0.12 H new ATOM 0 HB2 GLU A 277 0.835 -7.263 -0.301 1.00 0.14 H new ATOM 0 HB3 GLU A 277 2.432 -7.020 -0.982 1.00 0.14 H new ATOM 0 HG2 GLU A 277 2.427 -8.995 0.393 1.00 0.19 H new ATOM 0 HG3 GLU A 277 3.463 -7.777 1.111 1.00 0.19 H new ATOM 916 N GLY A 278 2.688 -3.895 -1.023 1.00 0.13 N ATOM 917 CA GLY A 278 2.557 -2.928 -2.081 1.00 0.12 C ATOM 918 C GLY A 278 3.087 -3.457 -3.372 1.00 0.12 C ATOM 919 O GLY A 278 3.799 -4.458 -3.399 1.00 0.15 O ATOM 0 H GLY A 278 3.609 -3.940 -0.587 1.00 0.13 H new ATOM 0 HA2 GLY A 278 1.508 -2.657 -2.200 1.00 0.12 H new ATOM 0 HA3 GLY A 278 3.093 -2.018 -1.812 1.00 0.12 H new ATOM 923 N GLU A 279 2.734 -2.792 -4.436 1.00 0.11 N ATOM 924 CA GLU A 279 3.293 -3.083 -5.722 1.00 0.14 C ATOM 925 C GLU A 279 3.410 -1.777 -6.483 1.00 0.17 C ATOM 926 O GLU A 279 2.408 -1.119 -6.752 1.00 0.20 O ATOM 927 CB GLU A 279 2.391 -4.066 -6.470 1.00 0.20 C ATOM 928 CG GLU A 279 2.940 -4.522 -7.807 1.00 0.31 C ATOM 929 CD GLU A 279 1.962 -5.414 -8.546 1.00 1.08 C ATOM 930 OE1 GLU A 279 0.980 -4.890 -9.111 1.00 1.27 O ATOM 931 OE2 GLU A 279 2.179 -6.646 -8.573 1.00 2.07 O ATOM 0 H GLU A 279 2.051 -2.034 -4.434 1.00 0.11 H new ATOM 0 HA GLU A 279 4.276 -3.542 -5.621 1.00 0.14 H new ATOM 0 HB2 GLU A 279 2.226 -4.941 -5.841 1.00 0.20 H new ATOM 0 HB3 GLU A 279 1.419 -3.600 -6.629 1.00 0.20 H new ATOM 0 HG2 GLU A 279 3.172 -3.651 -8.420 1.00 0.31 H new ATOM 0 HG3 GLU A 279 3.875 -5.060 -7.651 1.00 0.31 H new ATOM 938 N CYS A 280 4.620 -1.395 -6.816 1.00 0.20 N ATOM 939 CA CYS A 280 4.825 -0.161 -7.541 1.00 0.27 C ATOM 940 C CYS A 280 5.596 -0.404 -8.804 1.00 0.29 C ATOM 941 O CYS A 280 6.826 -0.500 -8.784 1.00 0.33 O ATOM 942 CB CYS A 280 5.545 0.884 -6.685 1.00 0.39 C ATOM 943 SG CYS A 280 5.915 2.422 -7.560 1.00 0.51 S ATOM 0 H CYS A 280 5.471 -1.914 -6.600 1.00 0.20 H new ATOM 0 HA CYS A 280 3.839 0.228 -7.796 1.00 0.27 H new ATOM 0 HB2 CYS A 280 4.930 1.112 -5.815 1.00 0.39 H new ATOM 0 HB3 CYS A 280 6.476 0.456 -6.314 1.00 0.39 H new ATOM 0 HG CYS A 280 5.340 3.417 -6.952 1.00 0.51 H new ATOM 949 N ASN A 281 4.854 -0.537 -9.894 1.00 0.37 N ATOM 950 CA ASN A 281 5.428 -0.611 -11.225 1.00 0.49 C ATOM 951 C ASN A 281 6.544 -1.646 -11.272 1.00 0.45 C ATOM 952 O ASN A 281 7.579 -1.456 -11.913 1.00 0.53 O ATOM 953 CB ASN A 281 5.901 0.781 -11.657 1.00 0.63 C ATOM 954 CG ASN A 281 4.721 1.719 -11.869 1.00 0.80 C ATOM 955 OD1 ASN A 281 4.218 1.854 -12.984 1.00 1.44 O ATOM 956 ND2 ASN A 281 4.249 2.358 -10.801 1.00 0.97 N ATOM 0 H ASN A 281 3.836 -0.596 -9.878 1.00 0.37 H new ATOM 0 HA ASN A 281 4.669 -0.940 -11.935 1.00 0.49 H new ATOM 0 HB2 ASN A 281 6.566 1.194 -10.899 1.00 0.63 H new ATOM 0 HB3 ASN A 281 6.478 0.703 -12.579 1.00 0.63 H new ATOM 0 HD21 ASN A 281 3.447 2.982 -10.893 1.00 0.97 H new ATOM 0 HD22 ASN A 281 4.689 2.224 -9.891 1.00 0.97 H new ATOM 963 N GLY A 282 6.289 -2.762 -10.603 1.00 0.37 N ATOM 964 CA GLY A 282 7.192 -3.879 -10.632 1.00 0.39 C ATOM 965 C GLY A 282 7.967 -4.077 -9.349 1.00 0.34 C ATOM 966 O GLY A 282 8.701 -5.059 -9.216 1.00 0.46 O ATOM 0 H GLY A 282 5.456 -2.908 -10.033 1.00 0.37 H new ATOM 0 HA2 GLY A 282 6.626 -4.785 -10.846 1.00 0.39 H new ATOM 0 HA3 GLY A 282 7.896 -3.742 -11.452 1.00 0.39 H new ATOM 970 N LYS A 283 7.819 -3.171 -8.394 1.00 0.25 N ATOM 971 CA LYS A 283 8.301 -3.443 -7.058 1.00 0.23 C ATOM 972 C LYS A 283 7.167 -3.964 -6.206 1.00 0.14 C ATOM 973 O LYS A 283 6.044 -3.484 -6.294 1.00 0.17 O ATOM 974 CB LYS A 283 8.906 -2.206 -6.414 1.00 0.33 C ATOM 975 CG LYS A 283 10.054 -1.632 -7.205 1.00 0.74 C ATOM 976 CD LYS A 283 9.932 -0.132 -7.313 1.00 0.61 C ATOM 977 CE LYS A 283 11.121 0.470 -8.045 1.00 1.28 C ATOM 978 NZ LYS A 283 12.420 0.146 -7.404 1.00 1.93 N ATOM 0 H LYS A 283 7.378 -2.260 -8.519 1.00 0.25 H new ATOM 0 HA LYS A 283 9.086 -4.195 -7.131 1.00 0.23 H new ATOM 0 HB2 LYS A 283 8.133 -1.446 -6.303 1.00 0.33 H new ATOM 0 HB3 LYS A 283 9.252 -2.457 -5.412 1.00 0.33 H new ATOM 0 HG2 LYS A 283 10.998 -1.891 -6.725 1.00 0.74 H new ATOM 0 HG3 LYS A 283 10.071 -2.073 -8.202 1.00 0.74 H new ATOM 0 HD2 LYS A 283 9.012 0.123 -7.839 1.00 0.61 H new ATOM 0 HD3 LYS A 283 9.859 0.301 -6.316 1.00 0.61 H new ATOM 0 HE2 LYS A 283 11.129 0.108 -9.073 1.00 1.28 H new ATOM 0 HE3 LYS A 283 11.004 1.553 -8.089 1.00 1.28 H new ATOM 0 HZ1 LYS A 283 13.148 0.026 -8.137 1.00 1.93 H new ATOM 0 HZ2 LYS A 283 12.695 0.920 -6.766 1.00 1.93 H new ATOM 0 HZ3 LYS A 283 12.328 -0.735 -6.860 1.00 1.93 H new ATOM 992 N ARG A 284 7.471 -4.945 -5.401 1.00 0.16 N ATOM 993 CA ARG A 284 6.518 -5.529 -4.485 1.00 0.12 C ATOM 994 C ARG A 284 7.035 -5.266 -3.081 1.00 0.13 C ATOM 995 O ARG A 284 8.063 -4.623 -2.942 1.00 0.20 O ATOM 996 CB ARG A 284 6.384 -7.034 -4.746 1.00 0.18 C ATOM 997 CG ARG A 284 5.227 -7.710 -4.023 1.00 0.21 C ATOM 998 CD ARG A 284 3.894 -7.392 -4.678 1.00 0.26 C ATOM 999 NE ARG A 284 2.837 -8.287 -4.211 1.00 0.41 N ATOM 1000 CZ ARG A 284 1.894 -8.802 -4.998 1.00 0.52 C ATOM 1001 NH1 ARG A 284 1.844 -8.484 -6.287 1.00 0.57 N ATOM 1002 NH2 ARG A 284 0.995 -9.632 -4.489 1.00 0.67 N ATOM 0 H ARG A 284 8.398 -5.369 -5.359 1.00 0.16 H new ATOM 0 HA ARG A 284 5.529 -5.091 -4.615 1.00 0.12 H new ATOM 0 HB2 ARG A 284 6.266 -7.193 -5.818 1.00 0.18 H new ATOM 0 HB3 ARG A 284 7.313 -7.523 -4.452 1.00 0.18 H new ATOM 0 HG2 ARG A 284 5.382 -8.789 -4.017 1.00 0.21 H new ATOM 0 HG3 ARG A 284 5.208 -7.385 -2.983 1.00 0.21 H new ATOM 0 HD2 ARG A 284 3.619 -6.360 -4.462 1.00 0.26 H new ATOM 0 HD3 ARG A 284 3.991 -7.476 -5.760 1.00 0.26 H new ATOM 0 HE ARG A 284 2.821 -8.532 -3.221 1.00 0.41 H new ATOM 0 HH11 ARG A 284 2.531 -7.841 -6.681 1.00 0.57 H new ATOM 0 HH12 ARG A 284 1.119 -8.883 -6.883 1.00 0.57 H new ATOM 0 HH21 ARG A 284 1.027 -9.874 -3.499 1.00 0.67 H new ATOM 0 HH22 ARG A 284 0.271 -10.029 -5.088 1.00 0.67 H new ATOM 1016 N GLY A 285 6.295 -5.647 -2.058 1.00 0.14 N ATOM 1017 CA GLY A 285 6.857 -5.663 -0.723 1.00 0.18 C ATOM 1018 C GLY A 285 5.775 -5.636 0.310 1.00 0.14 C ATOM 1019 O GLY A 285 4.630 -5.887 -0.014 1.00 0.15 O ATOM 0 H GLY A 285 5.321 -5.944 -2.123 1.00 0.14 H new ATOM 0 HA2 GLY A 285 7.469 -6.556 -0.592 1.00 0.18 H new ATOM 0 HA3 GLY A 285 7.514 -4.804 -0.590 1.00 0.18 H new ATOM 1023 N HIS A 286 6.118 -5.323 1.544 1.00 0.15 N ATOM 1024 CA HIS A 286 5.118 -5.209 2.593 1.00 0.13 C ATOM 1025 C HIS A 286 5.547 -4.187 3.631 1.00 0.15 C ATOM 1026 O HIS A 286 6.650 -4.257 4.173 1.00 0.20 O ATOM 1027 CB HIS A 286 4.814 -6.574 3.233 1.00 0.18 C ATOM 1028 CG HIS A 286 5.988 -7.293 3.845 1.00 0.26 C ATOM 1029 ND1 HIS A 286 5.845 -8.383 4.675 1.00 0.75 N ATOM 1030 CD2 HIS A 286 7.324 -7.102 3.714 1.00 0.67 C ATOM 1031 CE1 HIS A 286 7.038 -8.831 5.025 1.00 0.65 C ATOM 1032 NE2 HIS A 286 7.953 -8.070 4.455 1.00 0.52 N ATOM 0 H HIS A 286 7.076 -5.143 1.846 1.00 0.15 H new ATOM 0 HA HIS A 286 4.191 -4.858 2.139 1.00 0.13 H new ATOM 0 HB2 HIS A 286 4.058 -6.431 4.005 1.00 0.18 H new ATOM 0 HB3 HIS A 286 4.374 -7.220 2.473 1.00 0.18 H new ATOM 0 HD1 HIS A 286 4.955 -8.783 4.973 1.00 0.75 H new ATOM 0 HD2 HIS A 286 7.805 -6.329 3.133 1.00 0.67 H new ATOM 0 HE1 HIS A 286 7.231 -9.677 5.668 1.00 0.65 H new ATOM 1041 N PHE A 287 4.672 -3.229 3.882 1.00 0.14 N ATOM 1042 CA PHE A 287 4.979 -2.112 4.777 1.00 0.17 C ATOM 1043 C PHE A 287 3.715 -1.609 5.484 1.00 0.20 C ATOM 1044 O PHE A 287 2.648 -1.539 4.878 1.00 0.29 O ATOM 1045 CB PHE A 287 5.660 -0.966 4.007 1.00 0.20 C ATOM 1046 CG PHE A 287 7.093 -1.239 3.651 1.00 0.17 C ATOM 1047 CD1 PHE A 287 8.055 -1.343 4.642 1.00 0.26 C ATOM 1048 CD2 PHE A 287 7.480 -1.375 2.332 1.00 0.21 C ATOM 1049 CE1 PHE A 287 9.375 -1.582 4.323 1.00 0.32 C ATOM 1050 CE2 PHE A 287 8.800 -1.609 2.006 1.00 0.25 C ATOM 1051 CZ PHE A 287 9.749 -1.713 3.003 1.00 0.30 C ATOM 0 H PHE A 287 3.736 -3.197 3.479 1.00 0.14 H new ATOM 0 HA PHE A 287 5.671 -2.474 5.538 1.00 0.17 H new ATOM 0 HB2 PHE A 287 5.099 -0.772 3.093 1.00 0.20 H new ATOM 0 HB3 PHE A 287 5.612 -0.058 4.609 1.00 0.20 H new ATOM 0 HD1 PHE A 287 7.768 -1.236 5.678 1.00 0.26 H new ATOM 0 HD2 PHE A 287 6.742 -1.297 1.548 1.00 0.21 H new ATOM 0 HE1 PHE A 287 10.114 -1.666 5.106 1.00 0.32 H new ATOM 0 HE2 PHE A 287 9.091 -1.711 0.971 1.00 0.25 H new ATOM 0 HZ PHE A 287 10.783 -1.897 2.749 1.00 0.30 H new ATOM 1061 N PRO A 288 3.832 -1.254 6.780 1.00 0.22 N ATOM 1062 CA PRO A 288 2.690 -0.828 7.606 1.00 0.26 C ATOM 1063 C PRO A 288 2.108 0.534 7.212 1.00 0.24 C ATOM 1064 O PRO A 288 2.726 1.312 6.478 1.00 0.28 O ATOM 1065 CB PRO A 288 3.269 -0.759 9.030 1.00 0.33 C ATOM 1066 CG PRO A 288 4.591 -1.449 8.959 1.00 0.54 C ATOM 1067 CD PRO A 288 5.079 -1.262 7.554 1.00 0.32 C ATOM 0 HA PRO A 288 1.858 -1.522 7.490 1.00 0.26 H new ATOM 0 HB2 PRO A 288 3.383 0.274 9.357 1.00 0.33 H new ATOM 0 HB3 PRO A 288 2.609 -1.249 9.746 1.00 0.33 H new ATOM 0 HG2 PRO A 288 5.293 -1.023 9.676 1.00 0.54 H new ATOM 0 HG3 PRO A 288 4.492 -2.507 9.200 1.00 0.54 H new ATOM 0 HD2 PRO A 288 5.634 -0.331 7.438 1.00 0.32 H new ATOM 0 HD3 PRO A 288 5.743 -2.069 7.245 1.00 0.32 H new ATOM 1075 N PHE A 289 0.922 0.814 7.753 1.00 0.31 N ATOM 1076 CA PHE A 289 0.163 2.025 7.447 1.00 0.37 C ATOM 1077 C PHE A 289 0.779 3.261 8.113 1.00 0.33 C ATOM 1078 O PHE A 289 0.479 4.397 7.746 1.00 0.39 O ATOM 1079 CB PHE A 289 -1.281 1.847 7.937 1.00 0.60 C ATOM 1080 CG PHE A 289 -2.243 2.871 7.409 1.00 0.42 C ATOM 1081 CD1 PHE A 289 -2.882 2.661 6.204 1.00 0.84 C ATOM 1082 CD2 PHE A 289 -2.506 4.035 8.111 1.00 1.07 C ATOM 1083 CE1 PHE A 289 -3.768 3.588 5.703 1.00 0.81 C ATOM 1084 CE2 PHE A 289 -3.391 4.972 7.614 1.00 1.12 C ATOM 1085 CZ PHE A 289 -4.024 4.746 6.406 1.00 0.50 C ATOM 0 H PHE A 289 0.458 0.200 8.422 1.00 0.31 H new ATOM 0 HA PHE A 289 0.185 2.180 6.368 1.00 0.37 H new ATOM 0 HB2 PHE A 289 -1.630 0.855 7.650 1.00 0.60 H new ATOM 0 HB3 PHE A 289 -1.290 1.885 9.026 1.00 0.60 H new ATOM 0 HD1 PHE A 289 -2.684 1.757 5.647 1.00 0.84 H new ATOM 0 HD2 PHE A 289 -2.015 4.212 9.056 1.00 1.07 H new ATOM 0 HE1 PHE A 289 -4.262 3.408 4.760 1.00 0.81 H new ATOM 0 HE2 PHE A 289 -3.588 5.878 8.167 1.00 1.12 H new ATOM 0 HZ PHE A 289 -4.718 5.475 6.014 1.00 0.50 H new ATOM 1095 N THR A 290 1.670 3.022 9.066 1.00 0.33 N ATOM 1096 CA THR A 290 2.172 4.052 9.968 1.00 0.41 C ATOM 1097 C THR A 290 2.928 5.188 9.266 1.00 0.38 C ATOM 1098 O THR A 290 3.299 6.175 9.903 1.00 0.57 O ATOM 1099 CB THR A 290 3.106 3.401 10.999 1.00 0.51 C ATOM 1100 OG1 THR A 290 4.096 2.622 10.316 1.00 0.50 O ATOM 1101 CG2 THR A 290 2.333 2.506 11.957 1.00 0.61 C ATOM 0 H THR A 290 2.069 2.099 9.237 1.00 0.33 H new ATOM 0 HA THR A 290 1.297 4.503 10.436 1.00 0.41 H new ATOM 0 HB THR A 290 3.581 4.192 11.579 1.00 0.51 H new ATOM 0 HG1 THR A 290 4.606 3.199 9.710 1.00 0.50 H new ATOM 0 HG21 THR A 290 3.022 2.060 12.674 1.00 0.61 H new ATOM 0 HG22 THR A 290 1.589 3.099 12.489 1.00 0.61 H new ATOM 0 HG23 THR A 290 1.834 1.717 11.395 1.00 0.61 H new ATOM 1109 N HIS A 291 3.157 5.065 7.965 1.00 0.25 N ATOM 1110 CA HIS A 291 3.945 6.055 7.243 1.00 0.26 C ATOM 1111 C HIS A 291 3.560 6.066 5.773 1.00 0.23 C ATOM 1112 O HIS A 291 4.390 6.299 4.888 1.00 0.26 O ATOM 1113 CB HIS A 291 5.449 5.794 7.431 1.00 0.35 C ATOM 1114 CG HIS A 291 5.862 4.362 7.262 1.00 0.40 C ATOM 1115 ND1 HIS A 291 5.755 3.425 8.265 1.00 1.01 N ATOM 1116 CD2 HIS A 291 6.411 3.714 6.214 1.00 1.26 C ATOM 1117 CE1 HIS A 291 6.223 2.271 7.842 1.00 0.72 C ATOM 1118 NE2 HIS A 291 6.633 2.413 6.596 1.00 0.88 N ATOM 0 H HIS A 291 2.811 4.296 7.392 1.00 0.25 H new ATOM 0 HA HIS A 291 3.730 7.042 7.653 1.00 0.26 H new ATOM 0 HB2 HIS A 291 6.002 6.404 6.717 1.00 0.35 H new ATOM 0 HB3 HIS A 291 5.740 6.127 8.427 1.00 0.35 H new ATOM 0 HD2 HIS A 291 6.636 4.141 5.248 1.00 1.26 H new ATOM 0 HE1 HIS A 291 6.265 1.359 8.419 1.00 0.72 H new ATOM 0 HE2 HIS A 291 7.044 1.682 6.016 1.00 0.88 H new ATOM 1127 N VAL A 292 2.284 5.808 5.527 1.00 0.21 N ATOM 1128 CA VAL A 292 1.721 5.869 4.191 1.00 0.21 C ATOM 1129 C VAL A 292 0.394 6.626 4.216 1.00 0.24 C ATOM 1130 O VAL A 292 -0.177 6.861 5.283 1.00 0.32 O ATOM 1131 CB VAL A 292 1.492 4.460 3.607 1.00 0.23 C ATOM 1132 CG1 VAL A 292 2.798 3.690 3.533 1.00 0.49 C ATOM 1133 CG2 VAL A 292 0.474 3.699 4.432 1.00 0.51 C ATOM 0 H VAL A 292 1.612 5.551 6.250 1.00 0.21 H new ATOM 0 HA VAL A 292 2.436 6.392 3.556 1.00 0.21 H new ATOM 0 HB VAL A 292 1.102 4.571 2.595 1.00 0.23 H new ATOM 0 HG11 VAL A 292 2.613 2.699 3.118 1.00 0.49 H new ATOM 0 HG12 VAL A 292 3.500 4.225 2.894 1.00 0.49 H new ATOM 0 HG13 VAL A 292 3.220 3.592 4.533 1.00 0.49 H new ATOM 0 HG21 VAL A 292 0.326 2.708 4.004 1.00 0.51 H new ATOM 0 HG22 VAL A 292 0.835 3.602 5.456 1.00 0.51 H new ATOM 0 HG23 VAL A 292 -0.473 4.239 4.431 1.00 0.51 H new ATOM 1143 N ARG A 293 -0.084 7.015 3.045 1.00 0.21 N ATOM 1144 CA ARG A 293 -1.332 7.758 2.932 1.00 0.24 C ATOM 1145 C ARG A 293 -2.206 7.160 1.859 1.00 0.24 C ATOM 1146 O ARG A 293 -1.984 7.357 0.683 1.00 0.40 O ATOM 1147 CB ARG A 293 -1.039 9.212 2.607 1.00 0.33 C ATOM 1148 CG ARG A 293 -0.257 9.921 3.700 1.00 0.38 C ATOM 1149 CD ARG A 293 -1.141 10.196 4.906 1.00 0.45 C ATOM 1150 NE ARG A 293 -0.420 10.860 5.987 1.00 0.55 N ATOM 1151 CZ ARG A 293 -0.371 10.401 7.237 1.00 0.61 C ATOM 1152 NH1 ARG A 293 -0.909 9.226 7.539 1.00 0.69 N ATOM 1153 NH2 ARG A 293 0.234 11.105 8.178 1.00 0.74 N ATOM 0 H ARG A 293 0.375 6.828 2.154 1.00 0.21 H new ATOM 0 HA ARG A 293 -1.859 7.701 3.884 1.00 0.24 H new ATOM 0 HB2 ARG A 293 -0.477 9.264 1.675 1.00 0.33 H new ATOM 0 HB3 ARG A 293 -1.979 9.738 2.442 1.00 0.33 H new ATOM 0 HG2 ARG A 293 0.594 9.309 3.999 1.00 0.38 H new ATOM 0 HG3 ARG A 293 0.144 10.859 3.316 1.00 0.38 H new ATOM 0 HD2 ARG A 293 -1.984 10.816 4.601 1.00 0.45 H new ATOM 0 HD3 ARG A 293 -1.553 9.256 5.272 1.00 0.45 H new ATOM 0 HE ARG A 293 0.075 11.726 5.773 1.00 0.55 H new ATOM 0 HH11 ARG A 293 -1.362 8.671 6.813 1.00 0.69 H new ATOM 0 HH12 ARG A 293 -0.869 8.878 8.497 1.00 0.69 H new ATOM 0 HH21 ARG A 293 0.664 12.001 7.948 1.00 0.74 H new ATOM 0 HH22 ARG A 293 0.271 10.753 9.134 1.00 0.74 H new ATOM 1167 N LEU A 294 -3.221 6.464 2.272 1.00 0.23 N ATOM 1168 CA LEU A 294 -3.957 5.612 1.372 1.00 0.26 C ATOM 1169 C LEU A 294 -4.935 6.397 0.513 1.00 0.27 C ATOM 1170 O LEU A 294 -5.758 7.179 0.983 1.00 0.34 O ATOM 1171 CB LEU A 294 -4.623 4.539 2.214 1.00 0.38 C ATOM 1172 CG LEU A 294 -5.069 3.242 1.553 1.00 0.41 C ATOM 1173 CD1 LEU A 294 -6.139 3.472 0.507 1.00 1.17 C ATOM 1174 CD2 LEU A 294 -3.875 2.531 0.975 1.00 1.31 C ATOM 0 H LEU A 294 -3.565 6.466 3.232 1.00 0.23 H new ATOM 0 HA LEU A 294 -3.287 5.142 0.652 1.00 0.26 H new ATOM 0 HB2 LEU A 294 -3.933 4.277 3.016 1.00 0.38 H new ATOM 0 HB3 LEU A 294 -5.500 4.987 2.681 1.00 0.38 H new ATOM 0 HG LEU A 294 -5.521 2.609 2.316 1.00 0.41 H new ATOM 0 HD11 LEU A 294 -6.425 2.518 0.063 1.00 1.17 H new ATOM 0 HD12 LEU A 294 -7.011 3.931 0.973 1.00 1.17 H new ATOM 0 HD13 LEU A 294 -5.753 4.132 -0.270 1.00 1.17 H new ATOM 0 HD21 LEU A 294 -4.198 1.603 0.503 1.00 1.31 H new ATOM 0 HD22 LEU A 294 -3.396 3.169 0.232 1.00 1.31 H new ATOM 0 HD23 LEU A 294 -3.165 2.305 1.771 1.00 1.31 H new ATOM 1186 N LEU A 295 -4.774 6.155 -0.763 1.00 0.27 N ATOM 1187 CA LEU A 295 -5.515 6.771 -1.833 1.00 0.31 C ATOM 1188 C LEU A 295 -6.696 5.919 -2.257 1.00 0.36 C ATOM 1189 O LEU A 295 -6.744 5.433 -3.390 1.00 0.52 O ATOM 1190 CB LEU A 295 -4.602 6.986 -3.010 1.00 0.33 C ATOM 1191 CG LEU A 295 -3.881 8.317 -3.034 1.00 0.32 C ATOM 1192 CD1 LEU A 295 -2.758 8.352 -2.009 1.00 0.32 C ATOM 1193 CD2 LEU A 295 -3.368 8.561 -4.427 1.00 0.39 C ATOM 0 H LEU A 295 -4.083 5.485 -1.101 1.00 0.27 H new ATOM 0 HA LEU A 295 -5.901 7.725 -1.474 1.00 0.31 H new ATOM 0 HB2 LEU A 295 -3.859 6.189 -3.023 1.00 0.33 H new ATOM 0 HB3 LEU A 295 -5.187 6.892 -3.925 1.00 0.33 H new ATOM 0 HG LEU A 295 -4.574 9.114 -2.763 1.00 0.32 H new ATOM 0 HD11 LEU A 295 -2.258 9.320 -2.050 1.00 0.32 H new ATOM 0 HD12 LEU A 295 -3.171 8.198 -1.012 1.00 0.32 H new ATOM 0 HD13 LEU A 295 -2.039 7.563 -2.230 1.00 0.32 H new ATOM 0 HD21 LEU A 295 -2.846 9.517 -4.460 1.00 0.39 H new ATOM 0 HD22 LEU A 295 -2.681 7.762 -4.707 1.00 0.39 H new ATOM 0 HD23 LEU A 295 -4.205 8.581 -5.125 1.00 0.39 H new ATOM 1205 N ASP A 296 -7.575 5.691 -1.307 1.00 0.55 N ATOM 1206 CA ASP A 296 -8.743 4.814 -1.451 1.00 0.66 C ATOM 1207 C ASP A 296 -9.332 4.841 -2.856 1.00 0.86 C ATOM 1208 O ASP A 296 -9.521 5.909 -3.452 1.00 1.45 O ATOM 1209 CB ASP A 296 -9.843 5.217 -0.463 1.00 1.02 C ATOM 1210 CG ASP A 296 -9.383 5.234 0.980 1.00 1.32 C ATOM 1211 OD1 ASP A 296 -8.794 6.244 1.414 1.00 1.84 O ATOM 1212 OD2 ASP A 296 -9.599 4.226 1.683 1.00 1.97 O ATOM 0 H ASP A 296 -7.506 6.117 -0.383 1.00 0.55 H new ATOM 0 HA ASP A 296 -8.388 3.804 -1.245 1.00 0.66 H new ATOM 0 HB2 ASP A 296 -10.215 6.207 -0.729 1.00 1.02 H new ATOM 0 HB3 ASP A 296 -10.680 4.525 -0.561 1.00 1.02 H new ATOM 1217 N GLN A 297 -9.589 3.651 -3.380 1.00 0.62 N ATOM 1218 CA GLN A 297 -10.299 3.485 -4.645 1.00 0.87 C ATOM 1219 C GLN A 297 -11.625 4.218 -4.602 1.00 1.60 C ATOM 1220 O GLN A 297 -11.897 5.023 -5.518 1.00 2.38 O ATOM 1221 CB GLN A 297 -10.505 1.994 -4.960 1.00 1.01 C ATOM 1222 CG GLN A 297 -10.424 1.064 -3.751 1.00 2.20 C ATOM 1223 CD GLN A 297 -11.779 0.604 -3.236 1.00 3.20 C ATOM 1224 OE1 GLN A 297 -11.941 -0.547 -2.826 1.00 3.89 O ATOM 1225 NE2 GLN A 297 -12.745 1.498 -3.202 1.00 3.77 N ATOM 1226 OXT GLN A 297 -12.359 4.028 -3.623 1.00 2.17 O ATOM 0 H GLN A 297 -9.312 2.772 -2.942 1.00 0.62 H new ATOM 0 HA GLN A 297 -9.694 3.916 -5.443 1.00 0.87 H new ATOM 0 HB2 GLN A 297 -11.480 1.869 -5.432 1.00 1.01 H new ATOM 0 HB3 GLN A 297 -9.756 1.685 -5.689 1.00 1.01 H new ATOM 0 HG2 GLN A 297 -9.831 0.189 -4.017 1.00 2.20 H new ATOM 0 HG3 GLN A 297 -9.895 1.575 -2.947 1.00 2.20 H new ATOM 0 HE21 GLN A 297 -12.578 2.442 -3.549 1.00 3.77 H new ATOM 0 HE22 GLN A 297 -13.660 1.246 -2.828 1.00 3.77 H new