USER MOD reduce.3.24.130724 H: found=0, std=0, add=704, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 706 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 48 TYR OH : rot -165:sc= 0.565 USER MOD Set 1.2: A 98 LYS NZ :NH3+ 136:sc= 1.65 (180deg=-0.372) USER MOD Set 2.1: A 39 TYR OH : rot 42:sc= 0.0243 USER MOD Set 2.2: A 44 ASN :FLIP amide:sc= 0 F(o=-0.59,f=0.024) USER MOD Set 3.1: A 24 HIS : no HD1:sc= -1.14 K(o=-1.1,f=-3.5!) USER MOD Set 3.2: A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 16 GLN : amide:sc= -0.173 K(o=-0.17,f=-0.78) USER MOD Single : A 17 ASN : amide:sc= -0.972 X(o=-0.97,f=-0.5) USER MOD Single : A 25 ASN : amide:sc= -2.51 K(o=-2.5,f=-12!) USER MOD Single : A 27 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0937) USER MOD Single : A 31 ASN : amide:sc= -0.623 X(o=-0.62,f=-0.15) USER MOD Single : A 36 LYS NZ :NH3+ -161:sc= 1.22 (180deg=0.959) USER MOD Single : A 40 SER OG : rot 80:sc= 0.764 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= 0 K(o=0,f=-0.68) USER MOD Single : A 61 LYS NZ :NH3+ 168:sc= -0.0583 (180deg=-0.274) USER MOD Single : A 75 THR OG1 : rot -23:sc= 0.207 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 TYR OH : rot -147:sc= 0.994 USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 ASN : amide:sc= -0.21 K(o=-0.21,f=-1.2) USER MOD Single : A 102 LYS NZ :NH3+ -133:sc= 0.046 (180deg=-2.43!) USER MOD ----------------------------------------------------------------- ATOM 135 N GLY A 9 10.053 -1.520 -14.025 1.00 44.02 N ATOM 136 CA GLY A 9 10.630 -1.386 -12.702 1.00 41.41 C ATOM 137 C GLY A 9 10.687 0.068 -12.315 1.00 52.03 C ATOM 138 O GLY A 9 11.764 0.618 -12.077 1.00 73.32 O ATOM 0 HA2 GLY A 9 10.034 -1.941 -11.978 1.00 41.41 H new ATOM 0 HA3 GLY A 9 11.632 -1.815 -12.687 1.00 41.41 H new ATOM 142 N GLU A 10 9.515 0.698 -12.273 1.00 14.03 N ATOM 143 CA GLU A 10 9.419 2.141 -12.088 1.00 74.41 C ATOM 144 C GLU A 10 9.874 2.532 -10.684 1.00 40.13 C ATOM 145 O GLU A 10 10.796 3.333 -10.521 1.00 22.50 O ATOM 146 CB GLU A 10 7.979 2.607 -12.345 1.00 21.24 C ATOM 147 CG GLU A 10 7.831 4.120 -12.467 1.00 41.33 C ATOM 148 CD GLU A 10 6.413 4.540 -12.823 1.00 42.10 C ATOM 149 OE1 GLU A 10 5.984 4.295 -13.970 1.00 12.05 O ATOM 150 OE2 GLU A 10 5.722 5.118 -11.956 1.00 33.25 O ATOM 0 H GLU A 10 8.615 0.227 -12.365 1.00 14.03 H new ATOM 0 HA GLU A 10 10.077 2.634 -12.804 1.00 74.41 H new ATOM 0 HB2 GLU A 10 7.615 2.141 -13.261 1.00 21.24 H new ATOM 0 HB3 GLU A 10 7.343 2.254 -11.533 1.00 21.24 H new ATOM 0 HG2 GLU A 10 8.119 4.587 -11.525 1.00 41.33 H new ATOM 0 HG3 GLU A 10 8.518 4.489 -13.229 1.00 41.33 H new ATOM 157 N ILE A 11 9.220 1.961 -9.676 1.00 60.42 N ATOM 158 CA ILE A 11 9.608 2.154 -8.281 1.00 73.32 C ATOM 159 C ILE A 11 9.447 0.832 -7.534 1.00 45.11 C ATOM 160 O ILE A 11 8.443 0.601 -6.858 1.00 0.43 O ATOM 161 CB ILE A 11 8.766 3.258 -7.572 1.00 20.14 C ATOM 162 CG1 ILE A 11 8.856 4.594 -8.330 1.00 21.15 C ATOM 163 CG2 ILE A 11 9.225 3.433 -6.122 1.00 71.01 C ATOM 164 CD1 ILE A 11 8.036 5.710 -7.714 1.00 74.11 C ATOM 0 H ILE A 11 8.410 1.354 -9.802 1.00 60.42 H new ATOM 0 HA ILE A 11 10.647 2.484 -8.268 1.00 73.32 H new ATOM 0 HB ILE A 11 7.724 2.940 -7.572 1.00 20.14 H new ATOM 0 HG12 ILE A 11 9.900 4.906 -8.373 1.00 21.15 H new ATOM 0 HG13 ILE A 11 8.526 4.440 -9.357 1.00 21.15 H new ATOM 0 HG21 ILE A 11 8.627 4.207 -5.642 1.00 71.01 H new ATOM 0 HG22 ILE A 11 9.100 2.493 -5.585 1.00 71.01 H new ATOM 0 HG23 ILE A 11 10.275 3.724 -6.105 1.00 71.01 H new ATOM 0 HD11 ILE A 11 8.153 6.617 -8.307 1.00 74.11 H new ATOM 0 HD12 ILE A 11 6.985 5.422 -7.695 1.00 74.11 H new ATOM 0 HD13 ILE A 11 8.380 5.895 -6.696 1.00 74.11 H new ATOM 176 N MET A 12 10.432 -0.043 -7.701 1.00 41.44 N ATOM 177 CA MET A 12 10.377 -1.404 -7.165 1.00 31.42 C ATOM 178 C MET A 12 10.746 -1.442 -5.681 1.00 72.31 C ATOM 179 O MET A 12 11.907 -1.249 -5.304 1.00 34.14 O ATOM 180 CB MET A 12 11.294 -2.341 -7.976 1.00 33.34 C ATOM 181 CG MET A 12 12.713 -1.816 -8.179 1.00 50.32 C ATOM 182 SD MET A 12 12.761 -0.387 -9.282 1.00 31.41 S ATOM 183 CE MET A 12 14.453 0.159 -9.080 1.00 45.21 C ATOM 0 H MET A 12 11.291 0.167 -8.210 1.00 41.44 H new ATOM 0 HA MET A 12 9.349 -1.754 -7.257 1.00 31.42 H new ATOM 0 HB2 MET A 12 11.346 -3.305 -7.471 1.00 33.34 H new ATOM 0 HB3 MET A 12 10.842 -2.516 -8.952 1.00 33.34 H new ATOM 0 HG2 MET A 12 13.139 -1.542 -7.214 1.00 50.32 H new ATOM 0 HG3 MET A 12 13.337 -2.610 -8.589 1.00 50.32 H new ATOM 0 HE1 MET A 12 14.629 1.036 -9.703 1.00 45.21 H new ATOM 0 HE2 MET A 12 14.631 0.414 -8.035 1.00 45.21 H new ATOM 0 HE3 MET A 12 15.131 -0.640 -9.379 1.00 45.21 H new ATOM 193 N ILE A 13 9.740 -1.684 -4.848 1.00 60.31 N ATOM 194 CA ILE A 13 9.915 -1.793 -3.404 1.00 31.41 C ATOM 195 C ILE A 13 9.919 -3.268 -2.993 1.00 25.42 C ATOM 196 O ILE A 13 8.862 -3.895 -2.896 1.00 54.34 O ATOM 197 CB ILE A 13 8.775 -1.060 -2.642 1.00 23.24 C ATOM 198 CG1 ILE A 13 8.491 0.320 -3.263 1.00 41.33 C ATOM 199 CG2 ILE A 13 9.120 -0.916 -1.156 1.00 62.41 C ATOM 200 CD1 ILE A 13 9.641 1.301 -3.170 1.00 61.31 C ATOM 0 H ILE A 13 8.776 -1.811 -5.156 1.00 60.31 H new ATOM 0 HA ILE A 13 10.866 -1.327 -3.145 1.00 31.41 H new ATOM 0 HB ILE A 13 7.873 -1.665 -2.731 1.00 23.24 H new ATOM 0 HG12 ILE A 13 8.230 0.185 -4.313 1.00 41.33 H new ATOM 0 HG13 ILE A 13 7.620 0.753 -2.771 1.00 41.33 H new ATOM 0 HG21 ILE A 13 8.309 -0.400 -0.642 1.00 62.41 H new ATOM 0 HG22 ILE A 13 9.257 -1.904 -0.717 1.00 62.41 H new ATOM 0 HG23 ILE A 13 10.040 -0.341 -1.050 1.00 62.41 H new ATOM 0 HD11 ILE A 13 9.352 2.245 -3.632 1.00 61.31 H new ATOM 0 HD12 ILE A 13 9.890 1.471 -2.123 1.00 61.31 H new ATOM 0 HD13 ILE A 13 10.509 0.894 -3.688 1.00 61.31 H new ATOM 212 N LEU A 14 11.104 -3.831 -2.787 1.00 15.00 N ATOM 213 CA LEU A 14 11.227 -5.227 -2.367 1.00 2.21 C ATOM 214 C LEU A 14 11.303 -5.313 -0.846 1.00 62.41 C ATOM 215 O LEU A 14 12.241 -4.793 -0.235 1.00 32.54 O ATOM 216 CB LEU A 14 12.465 -5.893 -3.002 1.00 71.11 C ATOM 217 CG LEU A 14 12.363 -6.212 -4.508 1.00 1.30 C ATOM 218 CD1 LEU A 14 12.260 -4.935 -5.344 1.00 70.42 C ATOM 219 CD2 LEU A 14 13.553 -7.055 -4.960 1.00 52.24 C ATOM 0 H LEU A 14 11.994 -3.345 -2.903 1.00 15.00 H new ATOM 0 HA LEU A 14 10.343 -5.764 -2.711 1.00 2.21 H new ATOM 0 HB2 LEU A 14 13.324 -5.240 -2.846 1.00 71.11 H new ATOM 0 HB3 LEU A 14 12.668 -6.821 -2.467 1.00 71.11 H new ATOM 0 HG LEU A 14 11.450 -6.786 -4.665 1.00 1.30 H new ATOM 0 HD11 LEU A 14 12.190 -5.196 -6.400 1.00 70.42 H new ATOM 0 HD12 LEU A 14 11.372 -4.377 -5.048 1.00 70.42 H new ATOM 0 HD13 LEU A 14 13.145 -4.321 -5.180 1.00 70.42 H new ATOM 0 HD21 LEU A 14 13.463 -7.270 -6.025 1.00 52.24 H new ATOM 0 HD22 LEU A 14 14.477 -6.507 -4.777 1.00 52.24 H new ATOM 0 HD23 LEU A 14 13.569 -7.991 -4.401 1.00 52.24 H new ATOM 231 N ILE A 15 10.313 -5.962 -0.237 1.00 61.21 N ATOM 232 CA ILE A 15 10.258 -6.109 1.214 1.00 12.42 C ATOM 233 C ILE A 15 9.673 -7.468 1.604 1.00 33.10 C ATOM 234 O ILE A 15 8.649 -7.897 1.064 1.00 4.51 O ATOM 235 CB ILE A 15 9.432 -4.965 1.871 1.00 44.14 C ATOM 236 CG1 ILE A 15 9.382 -5.135 3.402 1.00 2.14 C ATOM 237 CG2 ILE A 15 8.023 -4.905 1.284 1.00 44.15 C ATOM 238 CD1 ILE A 15 8.610 -4.043 4.123 1.00 64.02 C ATOM 0 H ILE A 15 9.534 -6.397 -0.731 1.00 61.21 H new ATOM 0 HA ILE A 15 11.281 -6.048 1.585 1.00 12.42 H new ATOM 0 HB ILE A 15 9.929 -4.020 1.652 1.00 44.14 H new ATOM 0 HG12 ILE A 15 8.930 -6.099 3.635 1.00 2.14 H new ATOM 0 HG13 ILE A 15 10.401 -5.159 3.787 1.00 2.14 H new ATOM 0 HG21 ILE A 15 7.465 -4.098 1.759 1.00 44.15 H new ATOM 0 HG22 ILE A 15 8.083 -4.722 0.211 1.00 44.15 H new ATOM 0 HG23 ILE A 15 7.514 -5.852 1.463 1.00 44.15 H new ATOM 0 HD11 ILE A 15 8.622 -4.236 5.196 1.00 64.02 H new ATOM 0 HD12 ILE A 15 9.074 -3.077 3.923 1.00 64.02 H new ATOM 0 HD13 ILE A 15 7.579 -4.031 3.768 1.00 64.02 H new ATOM 250 N GLN A 16 10.359 -8.151 2.525 1.00 2.15 N ATOM 251 CA GLN A 16 9.909 -9.435 3.077 1.00 25.14 C ATOM 252 C GLN A 16 9.511 -10.436 1.984 1.00 4.32 C ATOM 253 O GLN A 16 8.349 -10.847 1.895 1.00 71.23 O ATOM 254 CB GLN A 16 8.750 -9.229 4.072 1.00 55.40 C ATOM 255 CG GLN A 16 9.158 -8.522 5.364 1.00 52.14 C ATOM 256 CD GLN A 16 10.260 -9.254 6.116 1.00 30.50 C ATOM 257 OE1 GLN A 16 10.384 -10.478 6.033 1.00 72.12 O ATOM 258 NE2 GLN A 16 11.061 -8.515 6.867 1.00 2.41 N ATOM 0 H GLN A 16 11.246 -7.829 2.911 1.00 2.15 H new ATOM 0 HA GLN A 16 10.758 -9.864 3.610 1.00 25.14 H new ATOM 0 HB2 GLN A 16 7.965 -8.650 3.585 1.00 55.40 H new ATOM 0 HB3 GLN A 16 8.322 -10.200 4.321 1.00 55.40 H new ATOM 0 HG2 GLN A 16 9.494 -7.512 5.129 1.00 52.14 H new ATOM 0 HG3 GLN A 16 8.286 -8.425 6.011 1.00 52.14 H new ATOM 0 HE21 GLN A 16 10.929 -7.505 6.912 1.00 2.41 H new ATOM 0 HE22 GLN A 16 11.810 -8.956 7.401 1.00 2.41 H new ATOM 267 N ASN A 17 10.480 -10.800 1.140 1.00 55.43 N ATOM 268 CA ASN A 17 10.312 -11.883 0.158 1.00 42.51 C ATOM 269 C ASN A 17 9.282 -11.527 -0.926 1.00 73.34 C ATOM 270 O ASN A 17 8.958 -12.352 -1.785 1.00 43.21 O ATOM 271 CB ASN A 17 9.920 -13.193 0.880 1.00 71.24 C ATOM 272 CG ASN A 17 9.877 -14.407 -0.039 1.00 1.34 C ATOM 273 OD1 ASN A 17 10.893 -15.067 -0.255 1.00 34.31 O ATOM 274 ND2 ASN A 17 8.705 -14.723 -0.570 1.00 60.04 N ATOM 0 H ASN A 17 11.399 -10.358 1.115 1.00 55.43 H new ATOM 0 HA ASN A 17 11.267 -12.025 -0.348 1.00 42.51 H new ATOM 0 HB2 ASN A 17 10.631 -13.382 1.684 1.00 71.24 H new ATOM 0 HB3 ASN A 17 8.942 -13.064 1.343 1.00 71.24 H new ATOM 0 HD21 ASN A 17 8.624 -15.537 -1.180 1.00 60.04 H new ATOM 0 HD22 ASN A 17 7.884 -14.153 -0.369 1.00 60.04 H new ATOM 281 N ALA A 18 8.787 -10.294 -0.905 1.00 24.13 N ATOM 282 CA ALA A 18 7.784 -9.855 -1.872 1.00 74.32 C ATOM 283 C ALA A 18 8.253 -8.612 -2.623 1.00 32.04 C ATOM 284 O ALA A 18 8.755 -7.658 -2.022 1.00 61.40 O ATOM 285 CB ALA A 18 6.455 -9.596 -1.170 1.00 62.45 C ATOM 0 H ALA A 18 9.063 -9.581 -0.230 1.00 24.13 H new ATOM 0 HA ALA A 18 7.642 -10.650 -2.604 1.00 74.32 H new ATOM 0 HB1 ALA A 18 5.715 -9.269 -1.901 1.00 62.45 H new ATOM 0 HB2 ALA A 18 6.112 -10.513 -0.691 1.00 62.45 H new ATOM 0 HB3 ALA A 18 6.587 -8.820 -0.416 1.00 62.45 H new ATOM 291 N GLU A 19 8.095 -8.642 -3.940 1.00 64.21 N ATOM 292 CA GLU A 19 8.465 -7.526 -4.800 1.00 14.12 C ATOM 293 C GLU A 19 7.235 -6.663 -5.064 1.00 34.33 C ATOM 294 O GLU A 19 6.200 -7.169 -5.494 1.00 43.41 O ATOM 295 CB GLU A 19 9.042 -8.062 -6.122 1.00 3.32 C ATOM 296 CG GLU A 19 9.594 -6.992 -7.060 1.00 52.41 C ATOM 297 CD GLU A 19 10.156 -7.578 -8.351 1.00 32.04 C ATOM 298 OE1 GLU A 19 11.342 -7.972 -8.365 1.00 13.23 O ATOM 299 OE2 GLU A 19 9.412 -7.649 -9.353 1.00 24.02 O ATOM 0 H GLU A 19 7.707 -9.441 -4.442 1.00 64.21 H new ATOM 0 HA GLU A 19 9.225 -6.917 -4.310 1.00 14.12 H new ATOM 0 HB2 GLU A 19 9.838 -8.771 -5.894 1.00 3.32 H new ATOM 0 HB3 GLU A 19 8.262 -8.616 -6.644 1.00 3.32 H new ATOM 0 HG2 GLU A 19 8.803 -6.282 -7.302 1.00 52.41 H new ATOM 0 HG3 GLU A 19 10.377 -6.434 -6.547 1.00 52.41 H new ATOM 306 N PHE A 20 7.333 -5.374 -4.772 1.00 40.52 N ATOM 307 CA PHE A 20 6.240 -4.438 -5.018 1.00 33.20 C ATOM 308 C PHE A 20 6.724 -3.307 -5.919 1.00 62.13 C ATOM 309 O PHE A 20 7.927 -3.144 -6.118 1.00 52.12 O ATOM 310 CB PHE A 20 5.730 -3.832 -3.700 1.00 14.22 C ATOM 311 CG PHE A 20 5.176 -4.826 -2.709 1.00 65.21 C ATOM 312 CD1 PHE A 20 6.007 -5.442 -1.784 1.00 13.51 C ATOM 313 CD2 PHE A 20 3.824 -5.131 -2.691 1.00 21.22 C ATOM 314 CE1 PHE A 20 5.501 -6.340 -0.865 1.00 64.22 C ATOM 315 CE2 PHE A 20 3.311 -6.028 -1.773 1.00 50.35 C ATOM 316 CZ PHE A 20 4.151 -6.635 -0.860 1.00 54.23 C ATOM 0 H PHE A 20 8.164 -4.948 -4.361 1.00 40.52 H new ATOM 0 HA PHE A 20 5.428 -4.985 -5.498 1.00 33.20 H new ATOM 0 HB2 PHE A 20 6.549 -3.289 -3.227 1.00 14.22 H new ATOM 0 HB3 PHE A 20 4.954 -3.102 -3.930 1.00 14.22 H new ATOM 0 HD1 PHE A 20 7.063 -5.216 -1.783 1.00 13.51 H new ATOM 0 HD2 PHE A 20 3.162 -4.661 -3.404 1.00 21.22 H new ATOM 0 HE1 PHE A 20 6.160 -6.811 -0.151 1.00 64.22 H new ATOM 0 HE2 PHE A 20 2.255 -6.254 -1.770 1.00 50.35 H new ATOM 0 HZ PHE A 20 3.754 -7.339 -0.144 1.00 54.23 H new ATOM 326 N GLU A 21 5.791 -2.538 -6.462 1.00 21.34 N ATOM 327 CA GLU A 21 6.127 -1.270 -7.098 1.00 32.32 C ATOM 328 C GLU A 21 4.976 -0.289 -6.912 1.00 42.42 C ATOM 329 O GLU A 21 3.820 -0.698 -6.749 1.00 13.44 O ATOM 330 CB GLU A 21 6.477 -1.426 -8.593 1.00 74.12 C ATOM 331 CG GLU A 21 5.277 -1.568 -9.528 1.00 20.40 C ATOM 332 CD GLU A 21 5.649 -1.426 -11.002 1.00 63.10 C ATOM 333 OE1 GLU A 21 6.627 -0.706 -11.316 1.00 63.24 O ATOM 334 OE2 GLU A 21 4.937 -1.995 -11.858 1.00 23.24 O ATOM 0 H GLU A 21 4.797 -2.768 -6.476 1.00 21.34 H new ATOM 0 HA GLU A 21 7.024 -0.884 -6.613 1.00 32.32 H new ATOM 0 HB2 GLU A 21 7.061 -0.561 -8.906 1.00 74.12 H new ATOM 0 HB3 GLU A 21 7.116 -2.301 -8.711 1.00 74.12 H new ATOM 0 HG2 GLU A 21 4.812 -2.541 -9.368 1.00 20.40 H new ATOM 0 HG3 GLU A 21 4.533 -0.814 -9.272 1.00 20.40 H new ATOM 341 N LEU A 22 5.301 0.997 -6.907 1.00 4.24 N ATOM 342 CA LEU A 22 4.300 2.044 -6.734 1.00 21.51 C ATOM 343 C LEU A 22 3.447 2.166 -7.998 1.00 23.22 C ATOM 344 O LEU A 22 3.876 2.752 -8.992 1.00 44.23 O ATOM 345 CB LEU A 22 4.987 3.381 -6.410 1.00 61.20 C ATOM 346 CG LEU A 22 4.048 4.556 -6.083 1.00 41.34 C ATOM 347 CD1 LEU A 22 3.196 4.245 -4.856 1.00 21.24 C ATOM 348 CD2 LEU A 22 4.851 5.837 -5.869 1.00 20.25 C ATOM 0 H LEU A 22 6.254 1.342 -7.021 1.00 4.24 H new ATOM 0 HA LEU A 22 3.647 1.781 -5.901 1.00 21.51 H new ATOM 0 HB2 LEU A 22 5.655 3.228 -5.563 1.00 61.20 H new ATOM 0 HB3 LEU A 22 5.609 3.663 -7.260 1.00 61.20 H new ATOM 0 HG LEU A 22 3.379 4.705 -6.931 1.00 41.34 H new ATOM 0 HD11 LEU A 22 2.541 5.090 -4.644 1.00 21.24 H new ATOM 0 HD12 LEU A 22 2.593 3.357 -5.047 1.00 21.24 H new ATOM 0 HD13 LEU A 22 3.845 4.065 -3.999 1.00 21.24 H new ATOM 0 HD21 LEU A 22 4.172 6.658 -5.639 1.00 20.25 H new ATOM 0 HD22 LEU A 22 5.545 5.697 -5.040 1.00 20.25 H new ATOM 0 HD23 LEU A 22 5.410 6.072 -6.775 1.00 20.25 H new ATOM 360 N VAL A 23 2.247 1.591 -7.958 1.00 40.51 N ATOM 361 CA VAL A 23 1.356 1.568 -9.121 1.00 1.24 C ATOM 362 C VAL A 23 0.380 2.745 -9.100 1.00 33.42 C ATOM 363 O VAL A 23 -0.358 2.971 -10.065 1.00 2.11 O ATOM 364 CB VAL A 23 0.559 0.240 -9.197 1.00 53.31 C ATOM 365 CG1 VAL A 23 1.507 -0.947 -9.369 1.00 23.03 C ATOM 366 CG2 VAL A 23 -0.326 0.059 -7.959 1.00 34.12 C ATOM 0 H VAL A 23 1.866 1.132 -7.130 1.00 40.51 H new ATOM 0 HA VAL A 23 1.990 1.651 -10.004 1.00 1.24 H new ATOM 0 HB VAL A 23 -0.093 0.285 -10.069 1.00 53.31 H new ATOM 0 HG11 VAL A 23 0.929 -1.870 -9.420 1.00 23.03 H new ATOM 0 HG12 VAL A 23 2.079 -0.825 -10.289 1.00 23.03 H new ATOM 0 HG13 VAL A 23 2.190 -0.993 -8.521 1.00 23.03 H new ATOM 0 HG21 VAL A 23 -0.874 -0.880 -8.038 1.00 34.12 H new ATOM 0 HG22 VAL A 23 0.298 0.041 -7.065 1.00 34.12 H new ATOM 0 HG23 VAL A 23 -1.032 0.887 -7.892 1.00 34.12 H new ATOM 376 N HIS A 24 0.368 3.482 -7.994 1.00 63.02 N ATOM 377 CA HIS A 24 -0.487 4.657 -7.859 1.00 73.22 C ATOM 378 C HIS A 24 0.029 5.551 -6.741 1.00 4.13 C ATOM 379 O HIS A 24 0.321 5.075 -5.645 1.00 40.41 O ATOM 380 CB HIS A 24 -1.934 4.238 -7.554 1.00 40.10 C ATOM 381 CG HIS A 24 -2.932 5.362 -7.608 1.00 64.44 C ATOM 382 ND1 HIS A 24 -2.752 6.582 -6.983 1.00 55.32 N ATOM 383 CD2 HIS A 24 -4.129 5.443 -8.233 1.00 23.41 C ATOM 384 CE1 HIS A 24 -3.793 7.357 -7.226 1.00 21.22 C ATOM 385 NE2 HIS A 24 -4.642 6.691 -7.983 1.00 3.03 N ATOM 0 H HIS A 24 0.943 3.285 -7.175 1.00 63.02 H new ATOM 0 HA HIS A 24 -0.469 5.206 -8.800 1.00 73.22 H new ATOM 0 HB2 HIS A 24 -2.234 3.468 -8.265 1.00 40.10 H new ATOM 0 HB3 HIS A 24 -1.967 3.787 -6.562 1.00 40.10 H new ATOM 0 HD2 HIS A 24 -4.596 4.667 -8.821 1.00 23.41 H new ATOM 0 HE1 HIS A 24 -3.926 8.366 -6.865 1.00 21.22 H new ATOM 0 HE2 HIS A 24 -5.535 7.045 -8.327 1.00 3.03 H new ATOM 394 N ASN A 25 0.116 6.847 -7.014 1.00 52.21 N ATOM 395 CA ASN A 25 0.549 7.823 -6.015 1.00 3.21 C ATOM 396 C ASN A 25 -0.444 8.983 -5.978 1.00 35.25 C ATOM 397 O ASN A 25 -1.156 9.226 -6.954 1.00 45.33 O ATOM 398 CB ASN A 25 1.963 8.341 -6.341 1.00 42.54 C ATOM 399 CG ASN A 25 2.637 9.047 -5.164 1.00 14.13 C ATOM 400 OD1 ASN A 25 1.978 9.607 -4.288 1.00 64.01 O ATOM 401 ND2 ASN A 25 3.963 9.034 -5.144 1.00 61.41 N ATOM 0 H ASN A 25 -0.108 7.251 -7.923 1.00 52.21 H new ATOM 0 HA ASN A 25 0.581 7.342 -5.037 1.00 3.21 H new ATOM 0 HB2 ASN A 25 2.585 7.503 -6.657 1.00 42.54 H new ATOM 0 HB3 ASN A 25 1.904 9.030 -7.183 1.00 42.54 H new ATOM 0 HD21 ASN A 25 4.466 9.497 -4.387 1.00 61.41 H new ATOM 0 HD22 ASN A 25 4.480 8.561 -5.885 1.00 61.41 H new ATOM 408 N PHE A 26 -0.519 9.658 -4.843 1.00 75.25 N ATOM 409 CA PHE A 26 -1.349 10.845 -4.692 1.00 35.12 C ATOM 410 C PHE A 26 -0.605 11.865 -3.848 1.00 21.25 C ATOM 411 O PHE A 26 -0.350 11.629 -2.662 1.00 14.10 O ATOM 412 CB PHE A 26 -2.692 10.486 -4.037 1.00 11.22 C ATOM 413 CG PHE A 26 -3.729 11.584 -4.130 1.00 65.13 C ATOM 414 CD1 PHE A 26 -3.641 12.718 -3.333 1.00 34.34 C ATOM 415 CD2 PHE A 26 -4.792 11.482 -5.017 1.00 4.24 C ATOM 416 CE1 PHE A 26 -4.585 13.721 -3.417 1.00 33.53 C ATOM 417 CE2 PHE A 26 -5.743 12.483 -5.103 1.00 52.33 C ATOM 418 CZ PHE A 26 -5.639 13.604 -4.302 1.00 4.53 C ATOM 0 H PHE A 26 -0.007 9.400 -4.000 1.00 75.25 H new ATOM 0 HA PHE A 26 -1.557 11.267 -5.675 1.00 35.12 H new ATOM 0 HB2 PHE A 26 -3.086 9.586 -4.508 1.00 11.22 H new ATOM 0 HB3 PHE A 26 -2.522 10.248 -2.987 1.00 11.22 H new ATOM 0 HD1 PHE A 26 -2.821 12.816 -2.637 1.00 34.34 H new ATOM 0 HD2 PHE A 26 -4.878 10.610 -5.648 1.00 4.24 H new ATOM 0 HE1 PHE A 26 -4.500 14.597 -2.791 1.00 33.53 H new ATOM 0 HE2 PHE A 26 -6.566 12.388 -5.796 1.00 52.33 H new ATOM 0 HZ PHE A 26 -6.380 14.387 -4.368 1.00 4.53 H new ATOM 428 N LYS A 27 -0.215 12.968 -4.483 1.00 60.32 N ATOM 429 CA LYS A 27 0.380 14.104 -3.787 1.00 60.15 C ATOM 430 C LYS A 27 1.726 13.718 -3.167 1.00 33.42 C ATOM 431 O LYS A 27 2.228 14.387 -2.259 1.00 72.41 O ATOM 432 CB LYS A 27 -0.609 14.595 -2.722 1.00 3.11 C ATOM 433 CG LYS A 27 -0.367 16.010 -2.213 1.00 34.03 C ATOM 434 CD LYS A 27 -1.554 16.495 -1.388 1.00 14.52 C ATOM 435 CE LYS A 27 -2.829 16.535 -2.225 1.00 4.22 C ATOM 436 NZ LYS A 27 -2.746 17.538 -3.321 1.00 72.42 N ATOM 0 H LYS A 27 -0.303 13.098 -5.491 1.00 60.32 H new ATOM 0 HA LYS A 27 0.577 14.911 -4.493 1.00 60.15 H new ATOM 0 HB2 LYS A 27 -1.617 14.542 -3.134 1.00 3.11 H new ATOM 0 HB3 LYS A 27 -0.574 13.911 -1.874 1.00 3.11 H new ATOM 0 HG2 LYS A 27 0.538 16.034 -1.606 1.00 34.03 H new ATOM 0 HG3 LYS A 27 -0.204 16.682 -3.055 1.00 34.03 H new ATOM 0 HD2 LYS A 27 -1.699 15.836 -0.532 1.00 14.52 H new ATOM 0 HD3 LYS A 27 -1.344 17.489 -0.993 1.00 14.52 H new ATOM 0 HE2 LYS A 27 -3.015 15.549 -2.650 1.00 4.22 H new ATOM 0 HE3 LYS A 27 -3.677 16.770 -1.582 1.00 4.22 H new ATOM 0 HZ1 LYS A 27 -3.683 17.655 -3.757 1.00 72.42 H new ATOM 0 HZ2 LYS A 27 -2.428 18.450 -2.934 1.00 72.42 H new ATOM 0 HZ3 LYS A 27 -2.069 17.212 -4.040 1.00 72.42 H new ATOM 450 N ASP A 28 2.307 12.634 -3.685 1.00 73.24 N ATOM 451 CA ASP A 28 3.580 12.113 -3.194 1.00 45.10 C ATOM 452 C ASP A 28 3.505 11.810 -1.701 1.00 3.51 C ATOM 453 O ASP A 28 4.394 12.179 -0.927 1.00 71.33 O ATOM 454 CB ASP A 28 4.734 13.082 -3.509 1.00 24.20 C ATOM 455 CG ASP A 28 5.270 12.898 -4.923 1.00 43.31 C ATOM 456 OD1 ASP A 28 4.694 13.468 -5.873 1.00 75.33 O ATOM 457 OD2 ASP A 28 6.269 12.165 -5.090 1.00 14.31 O ATOM 0 H ASP A 28 1.908 12.096 -4.454 1.00 73.24 H new ATOM 0 HA ASP A 28 3.783 11.177 -3.715 1.00 45.10 H new ATOM 0 HB2 ASP A 28 4.389 14.108 -3.384 1.00 24.20 H new ATOM 0 HB3 ASP A 28 5.541 12.928 -2.793 1.00 24.20 H new ATOM 462 N GLY A 29 2.432 11.128 -1.305 1.00 75.01 N ATOM 463 CA GLY A 29 2.272 10.710 0.079 1.00 12.43 C ATOM 464 C GLY A 29 2.991 9.403 0.374 1.00 23.14 C ATOM 465 O GLY A 29 2.791 8.799 1.428 1.00 23.12 O ATOM 0 H GLY A 29 1.666 10.856 -1.922 1.00 75.01 H new ATOM 0 HA2 GLY A 29 2.655 11.489 0.738 1.00 12.43 H new ATOM 0 HA3 GLY A 29 1.211 10.597 0.302 1.00 12.43 H new ATOM 469 N PHE A 30 3.827 8.960 -0.563 1.00 74.24 N ATOM 470 CA PHE A 30 4.578 7.720 -0.405 1.00 11.10 C ATOM 471 C PHE A 30 5.863 7.965 0.382 1.00 14.01 C ATOM 472 O PHE A 30 6.769 8.660 -0.085 1.00 23.22 O ATOM 473 CB PHE A 30 4.902 7.103 -1.777 1.00 4.32 C ATOM 474 CG PHE A 30 5.748 5.852 -1.694 1.00 22.11 C ATOM 475 CD1 PHE A 30 5.264 4.711 -1.067 1.00 72.41 C ATOM 476 CD2 PHE A 30 7.031 5.822 -2.227 1.00 22.04 C ATOM 477 CE1 PHE A 30 6.036 3.569 -0.979 1.00 24.24 C ATOM 478 CE2 PHE A 30 7.807 4.682 -2.140 1.00 53.23 C ATOM 479 CZ PHE A 30 7.309 3.554 -1.514 1.00 52.54 C ATOM 0 H PHE A 30 4.001 9.445 -1.443 1.00 74.24 H new ATOM 0 HA PHE A 30 3.959 7.017 0.153 1.00 11.10 H new ATOM 0 HB2 PHE A 30 3.969 6.867 -2.289 1.00 4.32 H new ATOM 0 HB3 PHE A 30 5.422 7.843 -2.385 1.00 4.32 H new ATOM 0 HD1 PHE A 30 4.271 4.717 -0.643 1.00 72.41 H new ATOM 0 HD2 PHE A 30 7.426 6.700 -2.715 1.00 22.04 H new ATOM 0 HE1 PHE A 30 5.644 2.688 -0.492 1.00 24.24 H new ATOM 0 HE2 PHE A 30 8.802 4.672 -2.561 1.00 53.23 H new ATOM 0 HZ PHE A 30 7.915 2.663 -1.444 1.00 52.54 H new ATOM 489 N ASN A 31 5.920 7.406 1.586 1.00 25.25 N ATOM 490 CA ASN A 31 7.121 7.446 2.420 1.00 45.41 C ATOM 491 C ASN A 31 7.552 6.018 2.740 1.00 4.50 C ATOM 492 O ASN A 31 6.802 5.274 3.377 1.00 51.52 O ATOM 493 CB ASN A 31 6.863 8.218 3.729 1.00 0.30 C ATOM 494 CG ASN A 31 6.443 9.668 3.520 1.00 1.42 C ATOM 495 OD1 ASN A 31 5.691 10.223 4.318 1.00 30.51 O ATOM 496 ND2 ASN A 31 6.936 10.301 2.465 1.00 53.42 N ATOM 0 H ASN A 31 5.137 6.912 2.013 1.00 25.25 H new ATOM 0 HA ASN A 31 7.910 7.963 1.874 1.00 45.41 H new ATOM 0 HB2 ASN A 31 6.087 7.704 4.295 1.00 0.30 H new ATOM 0 HB3 ASN A 31 7.768 8.196 4.336 1.00 0.30 H new ATOM 0 HD21 ASN A 31 6.694 11.277 2.297 1.00 53.42 H new ATOM 0 HD22 ASN A 31 7.558 9.812 1.821 1.00 53.42 H new ATOM 503 N GLU A 32 8.751 5.636 2.294 1.00 71.23 N ATOM 504 CA GLU A 32 9.246 4.270 2.477 1.00 42.23 C ATOM 505 C GLU A 32 9.252 3.886 3.954 1.00 30.34 C ATOM 506 O GLU A 32 8.753 2.825 4.327 1.00 72.10 O ATOM 507 CB GLU A 32 10.662 4.112 1.902 1.00 73.55 C ATOM 508 CG GLU A 32 11.209 2.688 2.014 1.00 25.21 C ATOM 509 CD GLU A 32 12.722 2.614 1.878 1.00 32.32 C ATOM 510 OE1 GLU A 32 13.287 3.314 1.008 1.00 3.33 O ATOM 511 OE2 GLU A 32 13.357 1.866 2.653 1.00 41.01 O ATOM 0 H GLU A 32 9.397 6.254 1.803 1.00 71.23 H new ATOM 0 HA GLU A 32 8.571 3.605 1.938 1.00 42.23 H new ATOM 0 HB2 GLU A 32 10.655 4.409 0.853 1.00 73.55 H new ATOM 0 HB3 GLU A 32 11.335 4.794 2.422 1.00 73.55 H new ATOM 0 HG2 GLU A 32 10.916 2.268 2.976 1.00 25.21 H new ATOM 0 HG3 GLU A 32 10.751 2.068 1.243 1.00 25.21 H new ATOM 518 N GLU A 33 9.813 4.758 4.790 1.00 71.41 N ATOM 519 CA GLU A 33 9.908 4.492 6.224 1.00 33.44 C ATOM 520 C GLU A 33 8.524 4.256 6.831 1.00 40.14 C ATOM 521 O GLU A 33 8.330 3.319 7.603 1.00 14.32 O ATOM 522 CB GLU A 33 10.630 5.639 6.947 1.00 31.45 C ATOM 523 CG GLU A 33 9.960 7.001 6.803 1.00 3.21 C ATOM 524 CD GLU A 33 10.718 8.095 7.538 1.00 43.43 C ATOM 525 OE1 GLU A 33 10.555 8.212 8.769 1.00 71.42 O ATOM 526 OE2 GLU A 33 11.497 8.827 6.891 1.00 12.25 O ATOM 0 H GLU A 33 10.208 5.653 4.500 1.00 71.41 H new ATOM 0 HA GLU A 33 10.495 3.583 6.357 1.00 33.44 H new ATOM 0 HB2 GLU A 33 10.702 5.395 8.007 1.00 31.45 H new ATOM 0 HB3 GLU A 33 11.649 5.708 6.565 1.00 31.45 H new ATOM 0 HG2 GLU A 33 9.888 7.258 5.746 1.00 3.21 H new ATOM 0 HG3 GLU A 33 8.942 6.946 7.188 1.00 3.21 H new ATOM 533 N ALA A 34 7.562 5.095 6.454 1.00 2.12 N ATOM 534 CA ALA A 34 6.191 4.971 6.945 1.00 33.53 C ATOM 535 C ALA A 34 5.577 3.657 6.471 1.00 65.44 C ATOM 536 O ALA A 34 4.844 2.995 7.208 1.00 14.22 O ATOM 537 CB ALA A 34 5.351 6.155 6.475 1.00 43.33 C ATOM 0 H ALA A 34 7.707 5.871 5.808 1.00 2.12 H new ATOM 0 HA ALA A 34 6.208 4.971 8.035 1.00 33.53 H new ATOM 0 HB1 ALA A 34 4.332 6.049 6.848 1.00 43.33 H new ATOM 0 HB2 ALA A 34 5.782 7.081 6.855 1.00 43.33 H new ATOM 0 HB3 ALA A 34 5.337 6.182 5.385 1.00 43.33 H new ATOM 543 N PHE A 35 5.899 3.288 5.238 1.00 60.33 N ATOM 544 CA PHE A 35 5.417 2.048 4.641 1.00 62.53 C ATOM 545 C PHE A 35 5.934 0.835 5.414 1.00 0.02 C ATOM 546 O PHE A 35 5.156 0.043 5.943 1.00 32.45 O ATOM 547 CB PHE A 35 5.859 1.980 3.166 1.00 70.51 C ATOM 548 CG PHE A 35 5.637 0.637 2.506 1.00 15.03 C ATOM 549 CD1 PHE A 35 4.386 0.276 2.028 1.00 21.24 C ATOM 550 CD2 PHE A 35 6.687 -0.262 2.360 1.00 33.01 C ATOM 551 CE1 PHE A 35 4.186 -0.949 1.420 1.00 62.12 C ATOM 552 CE2 PHE A 35 6.491 -1.489 1.755 1.00 75.24 C ATOM 553 CZ PHE A 35 5.239 -1.833 1.285 1.00 33.41 C ATOM 0 H PHE A 35 6.500 3.838 4.624 1.00 60.33 H new ATOM 0 HA PHE A 35 4.328 2.034 4.689 1.00 62.53 H new ATOM 0 HB2 PHE A 35 5.319 2.741 2.603 1.00 70.51 H new ATOM 0 HB3 PHE A 35 6.918 2.230 3.105 1.00 70.51 H new ATOM 0 HD1 PHE A 35 3.558 0.961 2.132 1.00 21.24 H new ATOM 0 HD2 PHE A 35 7.669 0.002 2.724 1.00 33.01 H new ATOM 0 HE1 PHE A 35 3.207 -1.215 1.051 1.00 62.12 H new ATOM 0 HE2 PHE A 35 7.316 -2.178 1.650 1.00 75.24 H new ATOM 0 HZ PHE A 35 5.083 -2.792 0.813 1.00 33.41 H new ATOM 563 N LYS A 36 7.256 0.716 5.492 1.00 64.32 N ATOM 564 CA LYS A 36 7.901 -0.463 6.064 1.00 72.30 C ATOM 565 C LYS A 36 7.689 -0.549 7.579 1.00 32.13 C ATOM 566 O LYS A 36 7.534 -1.642 8.126 1.00 22.44 O ATOM 567 CB LYS A 36 9.401 -0.449 5.718 1.00 31.21 C ATOM 568 CG LYS A 36 10.174 0.718 6.336 1.00 32.34 C ATOM 569 CD LYS A 36 11.482 1.011 5.598 1.00 72.55 C ATOM 570 CE LYS A 36 12.368 -0.222 5.470 1.00 61.22 C ATOM 571 NZ LYS A 36 13.673 0.100 4.833 1.00 55.44 N ATOM 0 H LYS A 36 7.907 1.429 5.163 1.00 64.32 H new ATOM 0 HA LYS A 36 7.441 -1.350 5.629 1.00 72.30 H new ATOM 0 HB2 LYS A 36 9.849 -1.385 6.052 1.00 31.21 H new ATOM 0 HB3 LYS A 36 9.513 -0.411 4.634 1.00 31.21 H new ATOM 0 HG2 LYS A 36 9.548 1.610 6.327 1.00 32.34 H new ATOM 0 HG3 LYS A 36 10.392 0.493 7.380 1.00 32.34 H new ATOM 0 HD2 LYS A 36 11.256 1.397 4.604 1.00 72.55 H new ATOM 0 HD3 LYS A 36 12.027 1.793 6.127 1.00 72.55 H new ATOM 0 HE2 LYS A 36 12.541 -0.649 6.458 1.00 61.22 H new ATOM 0 HE3 LYS A 36 11.853 -0.980 4.880 1.00 61.22 H new ATOM 0 HZ1 LYS A 36 14.108 -0.773 4.472 1.00 55.44 H new ATOM 0 HZ2 LYS A 36 13.521 0.763 4.046 1.00 55.44 H new ATOM 0 HZ3 LYS A 36 14.304 0.536 5.535 1.00 55.44 H new ATOM 585 N ALA A 37 7.655 0.602 8.250 1.00 50.14 N ATOM 586 CA ALA A 37 7.546 0.637 9.707 1.00 64.11 C ATOM 587 C ALA A 37 6.121 0.337 10.174 1.00 5.54 C ATOM 588 O ALA A 37 5.910 -0.166 11.280 1.00 11.12 O ATOM 589 CB ALA A 37 8.007 1.987 10.246 1.00 55.21 C ATOM 0 H ALA A 37 7.701 1.520 7.809 1.00 50.14 H new ATOM 0 HA ALA A 37 8.196 -0.143 10.103 1.00 64.11 H new ATOM 0 HB1 ALA A 37 7.919 1.994 11.332 1.00 55.21 H new ATOM 0 HB2 ALA A 37 9.047 2.155 9.965 1.00 55.21 H new ATOM 0 HB3 ALA A 37 7.385 2.778 9.826 1.00 55.21 H new ATOM 595 N ARG A 38 5.140 0.658 9.331 1.00 43.34 N ATOM 596 CA ARG A 38 3.729 0.432 9.663 1.00 2.01 C ATOM 597 C ARG A 38 3.170 -0.737 8.854 1.00 3.42 C ATOM 598 O ARG A 38 1.962 -0.986 8.855 1.00 14.32 O ATOM 599 CB ARG A 38 2.906 1.704 9.402 1.00 13.02 C ATOM 600 CG ARG A 38 3.345 2.925 10.218 1.00 44.31 C ATOM 601 CD ARG A 38 3.055 2.770 11.712 1.00 44.41 C ATOM 602 NE ARG A 38 3.889 1.748 12.352 1.00 21.21 N ATOM 603 CZ ARG A 38 3.671 1.258 13.576 1.00 51.50 C ATOM 604 NH1 ARG A 38 2.659 1.702 14.313 1.00 73.10 N ATOM 605 NH2 ARG A 38 4.476 0.328 14.065 1.00 30.22 N ATOM 0 H ARG A 38 5.294 1.075 8.413 1.00 43.34 H new ATOM 0 HA ARG A 38 3.660 0.185 10.722 1.00 2.01 H new ATOM 0 HB2 ARG A 38 2.968 1.950 8.342 1.00 13.02 H new ATOM 0 HB3 ARG A 38 1.859 1.495 9.620 1.00 13.02 H new ATOM 0 HG2 ARG A 38 4.413 3.088 10.074 1.00 44.31 H new ATOM 0 HG3 ARG A 38 2.833 3.811 9.842 1.00 44.31 H new ATOM 0 HD2 ARG A 38 3.216 3.727 12.209 1.00 44.41 H new ATOM 0 HD3 ARG A 38 2.005 2.512 11.848 1.00 44.41 H new ATOM 0 HE ARG A 38 4.687 1.388 11.829 1.00 21.21 H new ATOM 0 HH11 ARG A 38 2.039 2.424 13.946 1.00 73.10 H new ATOM 0 HH12 ARG A 38 2.502 1.321 15.246 1.00 73.10 H new ATOM 0 HH21 ARG A 38 5.260 -0.012 13.508 1.00 30.22 H new ATOM 0 HH22 ARG A 38 4.313 -0.048 14.999 1.00 30.22 H new ATOM 619 N TYR A 39 4.059 -1.449 8.171 1.00 73.52 N ATOM 620 CA TYR A 39 3.680 -2.591 7.346 1.00 21.34 C ATOM 621 C TYR A 39 3.236 -3.759 8.224 1.00 25.54 C ATOM 622 O TYR A 39 3.993 -4.229 9.076 1.00 30.32 O ATOM 623 CB TYR A 39 4.863 -3.010 6.460 1.00 1.51 C ATOM 624 CG TYR A 39 4.552 -4.113 5.462 1.00 51.40 C ATOM 625 CD1 TYR A 39 3.903 -3.829 4.265 1.00 0.12 C ATOM 626 CD2 TYR A 39 4.916 -5.435 5.711 1.00 53.11 C ATOM 627 CE1 TYR A 39 3.626 -4.825 3.348 1.00 71.02 C ATOM 628 CE2 TYR A 39 4.646 -6.435 4.794 1.00 13.24 C ATOM 629 CZ TYR A 39 4.001 -6.125 3.615 1.00 71.24 C ATOM 630 OH TYR A 39 3.732 -7.118 2.693 1.00 1.42 O ATOM 0 H TYR A 39 5.060 -1.252 8.173 1.00 73.52 H new ATOM 0 HA TYR A 39 2.844 -2.303 6.709 1.00 21.34 H new ATOM 0 HB2 TYR A 39 5.218 -2.135 5.915 1.00 1.51 H new ATOM 0 HB3 TYR A 39 5.680 -3.339 7.101 1.00 1.51 H new ATOM 0 HD1 TYR A 39 3.610 -2.812 4.048 1.00 0.12 H new ATOM 0 HD2 TYR A 39 5.417 -5.683 6.635 1.00 53.11 H new ATOM 0 HE1 TYR A 39 3.118 -4.586 2.426 1.00 71.02 H new ATOM 0 HE2 TYR A 39 4.939 -7.454 5.000 1.00 13.24 H new ATOM 0 HH TYR A 39 3.925 -6.788 1.791 1.00 1.42 H new ATOM 640 N SER A 40 2.001 -4.209 8.027 1.00 52.51 N ATOM 641 CA SER A 40 1.487 -5.373 8.733 1.00 54.45 C ATOM 642 C SER A 40 1.765 -6.632 7.917 1.00 72.15 C ATOM 643 O SER A 40 1.437 -6.694 6.732 1.00 21.42 O ATOM 644 CB SER A 40 -0.017 -5.220 8.997 1.00 42.24 C ATOM 645 OG SER A 40 -0.294 -4.016 9.691 1.00 4.22 O ATOM 0 H SER A 40 1.337 -3.782 7.381 1.00 52.51 H new ATOM 0 HA SER A 40 1.992 -5.458 9.695 1.00 54.45 H new ATOM 0 HB2 SER A 40 -0.558 -5.231 8.051 1.00 42.24 H new ATOM 0 HB3 SER A 40 -0.375 -6.069 9.579 1.00 42.24 H new ATOM 0 HG SER A 40 -0.295 -3.267 9.059 1.00 4.22 H new ATOM 651 N ASP A 41 2.367 -7.627 8.561 1.00 24.24 N ATOM 652 CA ASP A 41 2.762 -8.871 7.896 1.00 24.54 C ATOM 653 C ASP A 41 1.570 -9.526 7.197 1.00 44.54 C ATOM 654 O ASP A 41 1.697 -10.064 6.098 1.00 63.52 O ATOM 655 CB ASP A 41 3.368 -9.846 8.917 1.00 42.33 C ATOM 656 CG ASP A 41 4.569 -9.259 9.651 1.00 64.04 C ATOM 657 OD1 ASP A 41 4.366 -8.534 10.654 1.00 72.23 O ATOM 658 OD2 ASP A 41 5.718 -9.528 9.245 1.00 11.12 O ATOM 0 H ASP A 41 2.596 -7.597 9.555 1.00 24.24 H new ATOM 0 HA ASP A 41 3.509 -8.627 7.141 1.00 24.54 H new ATOM 0 HB2 ASP A 41 2.605 -10.126 9.643 1.00 42.33 H new ATOM 0 HB3 ASP A 41 3.671 -10.759 8.405 1.00 42.33 H new ATOM 663 N ILE A 42 0.405 -9.458 7.841 1.00 1.32 N ATOM 664 CA ILE A 42 -0.823 -10.053 7.308 1.00 10.43 C ATOM 665 C ILE A 42 -1.180 -9.477 5.931 1.00 42.31 C ATOM 666 O ILE A 42 -1.745 -10.173 5.082 1.00 20.33 O ATOM 667 CB ILE A 42 -2.012 -9.842 8.290 1.00 40.02 C ATOM 668 CG1 ILE A 42 -3.304 -10.487 7.750 1.00 30.32 C ATOM 669 CG2 ILE A 42 -2.227 -8.353 8.569 1.00 61.45 C ATOM 670 CD1 ILE A 42 -3.217 -11.990 7.583 1.00 11.10 C ATOM 0 H ILE A 42 0.285 -8.993 8.741 1.00 1.32 H new ATOM 0 HA ILE A 42 -0.639 -11.121 7.194 1.00 10.43 H new ATOM 0 HB ILE A 42 -1.760 -10.335 9.229 1.00 40.02 H new ATOM 0 HG12 ILE A 42 -4.125 -10.254 8.427 1.00 30.32 H new ATOM 0 HG13 ILE A 42 -3.548 -10.038 6.787 1.00 30.32 H new ATOM 0 HG21 ILE A 42 -3.063 -8.229 9.258 1.00 61.45 H new ATOM 0 HG22 ILE A 42 -1.325 -7.932 9.013 1.00 61.45 H new ATOM 0 HG23 ILE A 42 -2.447 -7.836 7.635 1.00 61.45 H new ATOM 0 HD11 ILE A 42 -4.164 -12.369 7.199 1.00 11.10 H new ATOM 0 HD12 ILE A 42 -2.419 -12.233 6.882 1.00 11.10 H new ATOM 0 HD13 ILE A 42 -3.005 -12.452 8.547 1.00 11.10 H new ATOM 682 N LEU A 43 -0.818 -8.215 5.701 1.00 64.20 N ATOM 683 CA LEU A 43 -1.173 -7.522 4.463 1.00 21.41 C ATOM 684 C LEU A 43 -0.488 -8.162 3.256 1.00 1.05 C ATOM 685 O LEU A 43 -0.976 -8.066 2.128 1.00 54.03 O ATOM 686 CB LEU A 43 -0.797 -6.037 4.552 1.00 20.42 C ATOM 687 CG LEU A 43 -1.462 -5.253 5.692 1.00 11.10 C ATOM 688 CD1 LEU A 43 -1.016 -3.794 5.673 1.00 63.42 C ATOM 689 CD2 LEU A 43 -2.983 -5.358 5.611 1.00 10.13 C ATOM 0 H LEU A 43 -0.278 -7.651 6.357 1.00 64.20 H new ATOM 0 HA LEU A 43 -2.251 -7.609 4.331 1.00 21.41 H new ATOM 0 HB2 LEU A 43 0.284 -5.960 4.665 1.00 20.42 H new ATOM 0 HB3 LEU A 43 -1.054 -5.558 3.607 1.00 20.42 H new ATOM 0 HG LEU A 43 -1.145 -5.694 6.637 1.00 11.10 H new ATOM 0 HD11 LEU A 43 -1.498 -3.255 6.489 1.00 63.42 H new ATOM 0 HD12 LEU A 43 0.066 -3.743 5.794 1.00 63.42 H new ATOM 0 HD13 LEU A 43 -1.297 -3.340 4.723 1.00 63.42 H new ATOM 0 HD21 LEU A 43 -3.431 -4.794 6.429 1.00 10.13 H new ATOM 0 HD22 LEU A 43 -3.326 -4.951 4.660 1.00 10.13 H new ATOM 0 HD23 LEU A 43 -3.280 -6.404 5.686 1.00 10.13 H new ATOM 701 N ASN A 44 0.629 -8.833 3.509 1.00 13.52 N ATOM 702 CA ASN A 44 1.416 -9.467 2.452 1.00 21.32 C ATOM 703 C ASN A 44 0.582 -10.503 1.690 1.00 54.44 C ATOM 704 O ASN A 44 0.825 -10.773 0.515 1.00 11.10 O ATOM 705 CB ASN A 44 2.655 -10.136 3.062 1.00 52.14 C ATOM 706 CG ASN A 44 3.602 -10.703 2.019 1.00 32.04 C ATOM 707 OD1 ASN A 44 4.550 -9.887 1.584 1.00 4.31 O flip ATOM 708 ND2 ASN A 44 3.494 -11.861 1.619 1.00 61.34 N flip ATOM 0 H ASN A 44 1.015 -8.954 4.445 1.00 13.52 H new ATOM 0 HA ASN A 44 1.728 -8.698 1.745 1.00 21.32 H new ATOM 0 HB2 ASN A 44 3.190 -9.408 3.672 1.00 52.14 H new ATOM 0 HB3 ASN A 44 2.336 -10.938 3.728 1.00 52.14 H new ATOM 0 HD21 ASN A 44 2.749 -12.458 1.979 1.00 61.34 H new ATOM 0 HD22 ASN A 44 4.149 -12.225 0.927 1.00 61.34 H new ATOM 715 N LYS A 45 -0.422 -11.048 2.371 1.00 24.01 N ATOM 716 CA LYS A 45 -1.258 -12.113 1.821 1.00 55.51 C ATOM 717 C LYS A 45 -2.277 -11.562 0.817 1.00 42.43 C ATOM 718 O LYS A 45 -2.881 -12.320 0.054 1.00 24.12 O ATOM 719 CB LYS A 45 -1.962 -12.847 2.980 1.00 53.20 C ATOM 720 CG LYS A 45 -2.782 -14.080 2.573 1.00 44.20 C ATOM 721 CD LYS A 45 -4.271 -13.771 2.375 1.00 34.11 C ATOM 722 CE LYS A 45 -4.930 -13.279 3.662 1.00 54.25 C ATOM 723 NZ LYS A 45 -6.411 -13.238 3.547 1.00 71.23 N ATOM 0 H LYS A 45 -0.679 -10.766 3.317 1.00 24.01 H new ATOM 0 HA LYS A 45 -0.627 -12.816 1.278 1.00 55.51 H new ATOM 0 HB2 LYS A 45 -1.208 -13.155 3.704 1.00 53.20 H new ATOM 0 HB3 LYS A 45 -2.622 -12.143 3.487 1.00 53.20 H new ATOM 0 HG2 LYS A 45 -2.376 -14.491 1.649 1.00 44.20 H new ATOM 0 HG3 LYS A 45 -2.675 -14.849 3.338 1.00 44.20 H new ATOM 0 HD2 LYS A 45 -4.384 -13.015 1.598 1.00 34.11 H new ATOM 0 HD3 LYS A 45 -4.784 -14.667 2.025 1.00 34.11 H new ATOM 0 HE2 LYS A 45 -4.648 -13.933 4.487 1.00 54.25 H new ATOM 0 HE3 LYS A 45 -4.557 -12.284 3.903 1.00 54.25 H new ATOM 0 HZ1 LYS A 45 -6.819 -12.899 4.441 1.00 71.23 H new ATOM 0 HZ2 LYS A 45 -6.682 -12.594 2.777 1.00 71.23 H new ATOM 0 HZ3 LYS A 45 -6.770 -14.192 3.343 1.00 71.23 H new ATOM 737 N TYR A 46 -2.455 -10.243 0.809 1.00 54.21 N ATOM 738 CA TYR A 46 -3.467 -9.607 -0.040 1.00 0.23 C ATOM 739 C TYR A 46 -2.904 -9.220 -1.412 1.00 31.35 C ATOM 740 O TYR A 46 -3.664 -9.008 -2.354 1.00 72.02 O ATOM 741 CB TYR A 46 -4.055 -8.380 0.668 1.00 42.15 C ATOM 742 CG TYR A 46 -4.837 -8.729 1.925 1.00 71.22 C ATOM 743 CD1 TYR A 46 -4.206 -8.803 3.160 1.00 44.44 C ATOM 744 CD2 TYR A 46 -6.201 -8.990 1.872 1.00 0.53 C ATOM 745 CE1 TYR A 46 -4.909 -9.128 4.305 1.00 11.42 C ATOM 746 CE2 TYR A 46 -6.912 -9.318 3.012 1.00 30.21 C ATOM 747 CZ TYR A 46 -6.261 -9.385 4.226 1.00 15.23 C ATOM 748 OH TYR A 46 -6.963 -9.718 5.361 1.00 42.31 O ATOM 0 H TYR A 46 -1.914 -9.592 1.379 1.00 54.21 H new ATOM 0 HA TYR A 46 -4.260 -10.335 -0.211 1.00 0.23 H new ATOM 0 HB2 TYR A 46 -3.246 -7.697 0.929 1.00 42.15 H new ATOM 0 HB3 TYR A 46 -4.710 -7.849 -0.023 1.00 42.15 H new ATOM 0 HD1 TYR A 46 -3.147 -8.603 3.227 1.00 44.44 H new ATOM 0 HD2 TYR A 46 -6.715 -8.936 0.924 1.00 0.53 H new ATOM 0 HE1 TYR A 46 -4.401 -9.180 5.257 1.00 11.42 H new ATOM 0 HE2 TYR A 46 -7.971 -9.521 2.952 1.00 30.21 H new ATOM 0 HH TYR A 46 -7.904 -9.866 5.132 1.00 42.31 H new ATOM 758 N ASP A 47 -1.576 -9.111 -1.504 1.00 12.20 N ATOM 759 CA ASP A 47 -0.886 -8.781 -2.766 1.00 53.45 C ATOM 760 C ASP A 47 -1.079 -7.311 -3.165 1.00 75.25 C ATOM 761 O ASP A 47 -0.590 -6.873 -4.211 1.00 72.21 O ATOM 762 CB ASP A 47 -1.328 -9.709 -3.919 1.00 40.35 C ATOM 763 CG ASP A 47 -0.690 -11.093 -3.859 1.00 21.32 C ATOM 764 OD1 ASP A 47 -0.949 -11.838 -2.893 1.00 10.44 O ATOM 765 OD2 ASP A 47 0.075 -11.445 -4.784 1.00 44.54 O ATOM 0 H ASP A 47 -0.946 -9.247 -0.713 1.00 12.20 H new ATOM 0 HA ASP A 47 0.177 -8.942 -2.583 1.00 53.45 H new ATOM 0 HB2 ASP A 47 -2.413 -9.815 -3.895 1.00 40.35 H new ATOM 0 HB3 ASP A 47 -1.075 -9.241 -4.870 1.00 40.35 H new ATOM 770 N TYR A 48 -1.785 -6.551 -2.332 1.00 1.41 N ATOM 771 CA TYR A 48 -1.940 -5.108 -2.519 1.00 4.11 C ATOM 772 C TYR A 48 -1.767 -4.392 -1.192 1.00 72.52 C ATOM 773 O TYR A 48 -2.384 -4.769 -0.196 1.00 25.31 O ATOM 774 CB TYR A 48 -3.313 -4.758 -3.110 1.00 14.22 C ATOM 775 CG TYR A 48 -3.375 -4.854 -4.617 1.00 43.03 C ATOM 776 CD1 TYR A 48 -3.016 -3.769 -5.408 1.00 42.31 C ATOM 777 CD2 TYR A 48 -3.792 -6.016 -5.248 1.00 21.40 C ATOM 778 CE1 TYR A 48 -3.076 -3.839 -6.785 1.00 62.41 C ATOM 779 CE2 TYR A 48 -3.853 -6.094 -6.622 1.00 11.02 C ATOM 780 CZ TYR A 48 -3.495 -5.004 -7.388 1.00 24.21 C ATOM 781 OH TYR A 48 -3.552 -5.079 -8.762 1.00 55.35 O ATOM 0 H TYR A 48 -2.266 -6.915 -1.509 1.00 1.41 H new ATOM 0 HA TYR A 48 -1.173 -4.782 -3.221 1.00 4.11 H new ATOM 0 HB2 TYR A 48 -4.062 -5.425 -2.682 1.00 14.22 H new ATOM 0 HB3 TYR A 48 -3.579 -3.745 -2.809 1.00 14.22 H new ATOM 0 HD1 TYR A 48 -2.684 -2.855 -4.937 1.00 42.31 H new ATOM 0 HD2 TYR A 48 -4.073 -6.873 -4.654 1.00 21.40 H new ATOM 0 HE1 TYR A 48 -2.796 -2.986 -7.386 1.00 62.41 H new ATOM 0 HE2 TYR A 48 -4.180 -7.006 -7.098 1.00 11.02 H new ATOM 0 HH TYR A 48 -4.082 -5.860 -9.025 1.00 55.35 H new ATOM 791 N ILE A 49 -0.925 -3.367 -1.187 1.00 14.41 N ATOM 792 CA ILE A 49 -0.672 -2.584 0.011 1.00 21.42 C ATOM 793 C ILE A 49 -0.930 -1.107 -0.273 1.00 1.34 C ATOM 794 O ILE A 49 -0.223 -0.494 -1.074 1.00 72.04 O ATOM 795 CB ILE A 49 0.792 -2.748 0.498 1.00 52.14 C ATOM 796 CG1 ILE A 49 1.216 -4.229 0.509 1.00 4.32 C ATOM 797 CG2 ILE A 49 0.958 -2.134 1.886 1.00 1.40 C ATOM 798 CD1 ILE A 49 0.432 -5.090 1.475 1.00 31.22 C ATOM 0 H ILE A 49 -0.403 -3.058 -2.007 1.00 14.41 H new ATOM 0 HA ILE A 49 -1.343 -2.946 0.790 1.00 21.42 H new ATOM 0 HB ILE A 49 1.442 -2.222 -0.201 1.00 52.14 H new ATOM 0 HG12 ILE A 49 1.104 -4.635 -0.496 1.00 4.32 H new ATOM 0 HG13 ILE A 49 2.275 -4.291 0.761 1.00 4.32 H new ATOM 0 HG21 ILE A 49 1.990 -2.256 2.217 1.00 1.40 H new ATOM 0 HG22 ILE A 49 0.712 -1.073 1.846 1.00 1.40 H new ATOM 0 HG23 ILE A 49 0.291 -2.635 2.588 1.00 1.40 H new ATOM 0 HD11 ILE A 49 0.792 -6.117 1.421 1.00 31.22 H new ATOM 0 HD12 ILE A 49 0.564 -4.712 2.489 1.00 31.22 H new ATOM 0 HD13 ILE A 49 -0.625 -5.062 1.212 1.00 31.22 H new ATOM 810 N VAL A 50 -1.945 -0.541 0.366 1.00 53.32 N ATOM 811 CA VAL A 50 -2.249 0.877 0.213 1.00 64.42 C ATOM 812 C VAL A 50 -2.263 1.571 1.573 1.00 41.23 C ATOM 813 O VAL A 50 -2.838 1.059 2.531 1.00 43.31 O ATOM 814 CB VAL A 50 -3.605 1.102 -0.514 1.00 64.25 C ATOM 815 CG1 VAL A 50 -4.738 0.362 0.181 1.00 75.02 C ATOM 816 CG2 VAL A 50 -3.921 2.593 -0.628 1.00 54.04 C ATOM 0 H VAL A 50 -2.572 -1.041 0.996 1.00 53.32 H new ATOM 0 HA VAL A 50 -1.463 1.313 -0.404 1.00 64.42 H new ATOM 0 HB VAL A 50 -3.511 0.694 -1.520 1.00 64.25 H new ATOM 0 HG11 VAL A 50 -5.671 0.541 -0.353 1.00 75.02 H new ATOM 0 HG12 VAL A 50 -4.524 -0.707 0.189 1.00 75.02 H new ATOM 0 HG13 VAL A 50 -4.832 0.721 1.206 1.00 75.02 H new ATOM 0 HG21 VAL A 50 -4.874 2.725 -1.140 1.00 54.04 H new ATOM 0 HG22 VAL A 50 -3.981 3.029 0.369 1.00 54.04 H new ATOM 0 HG23 VAL A 50 -3.133 3.090 -1.194 1.00 54.04 H new ATOM 826 N GLY A 51 -1.606 2.721 1.649 1.00 20.55 N ATOM 827 CA GLY A 51 -1.586 3.502 2.872 1.00 44.43 C ATOM 828 C GLY A 51 -2.085 4.906 2.621 1.00 62.30 C ATOM 829 O GLY A 51 -1.618 5.568 1.690 1.00 1.34 O ATOM 0 H GLY A 51 -1.081 3.131 0.877 1.00 20.55 H new ATOM 0 HA2 GLY A 51 -2.207 3.020 3.627 1.00 44.43 H new ATOM 0 HA3 GLY A 51 -0.572 3.537 3.270 1.00 44.43 H new ATOM 833 N ASP A 52 -3.043 5.356 3.425 1.00 22.01 N ATOM 834 CA ASP A 52 -3.650 6.672 3.239 1.00 41.25 C ATOM 835 C ASP A 52 -3.324 7.598 4.405 1.00 11.45 C ATOM 836 O ASP A 52 -2.989 7.151 5.505 1.00 11.55 O ATOM 837 CB ASP A 52 -5.175 6.553 3.091 1.00 12.53 C ATOM 838 CG ASP A 52 -5.862 6.171 4.394 1.00 33.30 C ATOM 839 OD1 ASP A 52 -5.774 4.990 4.787 1.00 43.12 O ATOM 840 OD2 ASP A 52 -6.488 7.053 5.033 1.00 65.21 O ATOM 0 H ASP A 52 -3.417 4.828 4.214 1.00 22.01 H new ATOM 0 HA ASP A 52 -3.234 7.097 2.326 1.00 41.25 H new ATOM 0 HB2 ASP A 52 -5.577 7.502 2.738 1.00 12.53 H new ATOM 0 HB3 ASP A 52 -5.405 5.807 2.331 1.00 12.53 H new ATOM 845 N TRP A 53 -3.423 8.894 4.139 1.00 53.34 N ATOM 846 CA TRP A 53 -3.237 9.931 5.148 1.00 62.41 C ATOM 847 C TRP A 53 -4.577 10.611 5.428 1.00 32.11 C ATOM 848 O TRP A 53 -4.622 11.778 5.821 1.00 54.43 O ATOM 849 CB TRP A 53 -2.211 10.970 4.660 1.00 3.13 C ATOM 850 CG TRP A 53 -0.843 10.403 4.389 1.00 22.34 C ATOM 851 CD1 TRP A 53 -0.444 9.706 3.283 1.00 22.10 C ATOM 852 CD2 TRP A 53 0.309 10.499 5.237 1.00 70.42 C ATOM 853 NE1 TRP A 53 0.881 9.362 3.395 1.00 42.14 N ATOM 854 CE2 TRP A 53 1.366 9.835 4.584 1.00 64.02 C ATOM 855 CE3 TRP A 53 0.547 11.078 6.488 1.00 53.02 C ATOM 856 CZ2 TRP A 53 2.642 9.741 5.136 1.00 41.11 C ATOM 857 CZ3 TRP A 53 1.816 10.983 7.035 1.00 55.54 C ATOM 858 CH2 TRP A 53 2.848 10.317 6.361 1.00 32.20 C ATOM 0 H TRP A 53 -3.636 9.259 3.211 1.00 53.34 H new ATOM 0 HA TRP A 53 -2.862 9.477 6.065 1.00 62.41 H new ATOM 0 HB2 TRP A 53 -2.587 11.435 3.749 1.00 3.13 H new ATOM 0 HB3 TRP A 53 -2.124 11.758 5.408 1.00 3.13 H new ATOM 0 HD1 TRP A 53 -1.078 9.461 2.444 1.00 22.10 H new ATOM 0 HE1 TRP A 53 1.417 8.838 2.703 1.00 42.14 H new ATOM 0 HE3 TRP A 53 -0.244 11.589 7.017 1.00 53.02 H new ATOM 0 HZ2 TRP A 53 3.440 9.232 4.616 1.00 41.11 H new ATOM 0 HZ3 TRP A 53 2.013 11.430 7.998 1.00 55.54 H new ATOM 0 HH2 TRP A 53 3.825 10.257 6.817 1.00 32.20 H new ATOM 869 N GLY A 54 -5.664 9.860 5.234 1.00 52.15 N ATOM 870 CA GLY A 54 -7.002 10.411 5.363 1.00 55.33 C ATOM 871 C GLY A 54 -7.227 11.103 6.696 1.00 13.22 C ATOM 872 O GLY A 54 -7.449 12.315 6.741 1.00 25.23 O ATOM 0 H GLY A 54 -5.637 8.871 4.988 1.00 52.15 H new ATOM 0 HA2 GLY A 54 -7.177 11.122 4.556 1.00 55.33 H new ATOM 0 HA3 GLY A 54 -7.733 9.611 5.246 1.00 55.33 H new ATOM 876 N TYR A 55 -7.156 10.339 7.780 1.00 44.04 N ATOM 877 CA TYR A 55 -7.319 10.892 9.123 1.00 33.40 C ATOM 878 C TYR A 55 -6.071 11.676 9.527 1.00 14.23 C ATOM 879 O TYR A 55 -6.142 12.637 10.299 1.00 21.43 O ATOM 880 CB TYR A 55 -7.594 9.767 10.134 1.00 74.23 C ATOM 881 CG TYR A 55 -7.813 10.258 11.556 1.00 53.24 C ATOM 882 CD1 TYR A 55 -8.980 10.928 11.908 1.00 53.22 C ATOM 883 CD2 TYR A 55 -6.847 10.064 12.542 1.00 64.11 C ATOM 884 CE1 TYR A 55 -9.181 11.384 13.197 1.00 74.22 C ATOM 885 CE2 TYR A 55 -7.042 10.519 13.832 1.00 22.22 C ATOM 886 CZ TYR A 55 -8.209 11.179 14.154 1.00 22.52 C ATOM 887 OH TYR A 55 -8.405 11.638 15.438 1.00 15.45 O ATOM 0 H TYR A 55 -6.986 9.333 7.757 1.00 44.04 H new ATOM 0 HA TYR A 55 -8.171 11.571 9.119 1.00 33.40 H new ATOM 0 HB2 TYR A 55 -8.474 9.210 9.813 1.00 74.23 H new ATOM 0 HB3 TYR A 55 -6.755 9.071 10.125 1.00 74.23 H new ATOM 0 HD1 TYR A 55 -9.742 11.095 11.161 1.00 53.22 H new ATOM 0 HD2 TYR A 55 -5.931 9.549 12.293 1.00 64.11 H new ATOM 0 HE1 TYR A 55 -10.095 11.899 13.454 1.00 74.22 H new ATOM 0 HE2 TYR A 55 -6.284 10.358 14.584 1.00 22.22 H new ATOM 0 HH TYR A 55 -7.627 11.412 15.989 1.00 15.45 H new ATOM 897 N GLY A 56 -4.932 11.258 8.990 1.00 54.30 N ATOM 898 CA GLY A 56 -3.662 11.880 9.318 1.00 21.13 C ATOM 899 C GLY A 56 -2.618 10.841 9.664 1.00 34.12 C ATOM 900 O GLY A 56 -1.497 10.875 9.153 1.00 70.55 O ATOM 0 H GLY A 56 -4.865 10.488 8.324 1.00 54.30 H new ATOM 0 HA2 GLY A 56 -3.318 12.478 8.474 1.00 21.13 H new ATOM 0 HA3 GLY A 56 -3.794 12.561 10.159 1.00 21.13 H new ATOM 904 N GLN A 57 -3.002 9.904 10.526 1.00 14.44 N ATOM 905 CA GLN A 57 -2.127 8.806 10.917 1.00 33.02 C ATOM 906 C GLN A 57 -2.012 7.802 9.771 1.00 64.34 C ATOM 907 O GLN A 57 -2.969 7.092 9.461 1.00 21.12 O ATOM 908 CB GLN A 57 -2.657 8.114 12.180 1.00 43.34 C ATOM 909 CG GLN A 57 -2.759 9.032 13.395 1.00 72.51 C ATOM 910 CD GLN A 57 -3.197 8.302 14.657 1.00 64.22 C ATOM 911 OE1 GLN A 57 -2.908 7.116 14.840 1.00 51.53 O ATOM 912 NE2 GLN A 57 -3.896 9.002 15.536 1.00 3.52 N ATOM 0 H GLN A 57 -3.920 9.885 10.969 1.00 14.44 H new ATOM 0 HA GLN A 57 -1.139 9.209 11.139 1.00 33.02 H new ATOM 0 HB2 GLN A 57 -3.642 7.698 11.968 1.00 43.34 H new ATOM 0 HB3 GLN A 57 -2.004 7.276 12.424 1.00 43.34 H new ATOM 0 HG2 GLN A 57 -1.791 9.502 13.571 1.00 72.51 H new ATOM 0 HG3 GLN A 57 -3.467 9.832 13.180 1.00 72.51 H new ATOM 0 HE21 GLN A 57 -4.116 9.981 15.350 1.00 3.52 H new ATOM 0 HE22 GLN A 57 -4.215 8.563 16.400 1.00 3.52 H new ATOM 921 N LEU A 58 -0.848 7.776 9.135 1.00 5.32 N ATOM 922 CA LEU A 58 -0.587 6.875 8.016 1.00 43.24 C ATOM 923 C LEU A 58 -0.819 5.422 8.442 1.00 32.20 C ATOM 924 O LEU A 58 -0.199 4.933 9.389 1.00 62.14 O ATOM 925 CB LEU A 58 0.857 7.096 7.512 1.00 53.00 C ATOM 926 CG LEU A 58 1.286 6.331 6.238 1.00 13.54 C ATOM 927 CD1 LEU A 58 1.672 4.887 6.551 1.00 35.45 C ATOM 928 CD2 LEU A 58 0.188 6.377 5.177 1.00 45.54 C ATOM 0 H LEU A 58 -0.060 8.376 9.378 1.00 5.32 H new ATOM 0 HA LEU A 58 -1.275 7.090 7.198 1.00 43.24 H new ATOM 0 HB2 LEU A 58 0.991 8.162 7.327 1.00 53.00 H new ATOM 0 HB3 LEU A 58 1.541 6.824 8.316 1.00 53.00 H new ATOM 0 HG LEU A 58 2.169 6.831 5.841 1.00 13.54 H new ATOM 0 HD11 LEU A 58 1.967 4.382 5.631 1.00 35.45 H new ATOM 0 HD12 LEU A 58 2.505 4.877 7.254 1.00 35.45 H new ATOM 0 HD13 LEU A 58 0.820 4.370 6.991 1.00 35.45 H new ATOM 0 HD21 LEU A 58 0.515 5.832 4.291 1.00 45.54 H new ATOM 0 HD22 LEU A 58 -0.719 5.918 5.572 1.00 45.54 H new ATOM 0 HD23 LEU A 58 -0.017 7.414 4.910 1.00 45.54 H new ATOM 940 N ARG A 59 -1.730 4.748 7.748 1.00 23.34 N ATOM 941 CA ARG A 59 -2.036 3.347 8.020 1.00 34.53 C ATOM 942 C ARG A 59 -2.163 2.574 6.711 1.00 1.20 C ATOM 943 O ARG A 59 -2.771 3.058 5.752 1.00 22.41 O ATOM 944 CB ARG A 59 -3.331 3.231 8.841 1.00 70.32 C ATOM 945 CG ARG A 59 -3.728 1.794 9.178 1.00 51.24 C ATOM 946 CD ARG A 59 -2.654 1.075 9.991 1.00 15.15 C ATOM 947 NE ARG A 59 -2.972 -0.343 10.185 1.00 52.25 N ATOM 948 CZ ARG A 59 -2.058 -1.310 10.310 1.00 2.42 C ATOM 949 NH1 ARG A 59 -0.763 -1.013 10.303 1.00 24.12 N ATOM 950 NH2 ARG A 59 -2.437 -2.573 10.455 1.00 30.43 N ATOM 0 H ARG A 59 -2.274 5.153 6.986 1.00 23.34 H new ATOM 0 HA ARG A 59 -1.221 2.917 8.602 1.00 34.53 H new ATOM 0 HB2 ARG A 59 -3.212 3.791 9.769 1.00 70.32 H new ATOM 0 HB3 ARG A 59 -4.144 3.701 8.287 1.00 70.32 H new ATOM 0 HG2 ARG A 59 -4.663 1.799 9.738 1.00 51.24 H new ATOM 0 HG3 ARG A 59 -3.912 1.244 8.255 1.00 51.24 H new ATOM 0 HD2 ARG A 59 -1.694 1.165 9.484 1.00 15.15 H new ATOM 0 HD3 ARG A 59 -2.549 1.559 10.962 1.00 15.15 H new ATOM 0 HE ARG A 59 -3.956 -0.609 10.227 1.00 52.25 H new ATOM 0 HH11 ARG A 59 -0.463 -0.043 10.202 1.00 24.12 H new ATOM 0 HH12 ARG A 59 -0.069 -1.755 10.399 1.00 24.12 H new ATOM 0 HH21 ARG A 59 -3.429 -2.809 10.471 1.00 30.43 H new ATOM 0 HH22 ARG A 59 -1.736 -3.308 10.550 1.00 30.43 H new ATOM 964 N LEU A 60 -1.574 1.380 6.675 1.00 23.22 N ATOM 965 CA LEU A 60 -1.606 0.522 5.492 1.00 1.30 C ATOM 966 C LEU A 60 -2.781 -0.452 5.568 1.00 71.42 C ATOM 967 O LEU A 60 -3.211 -0.835 6.659 1.00 24.42 O ATOM 968 CB LEU A 60 -0.288 -0.268 5.343 1.00 52.15 C ATOM 969 CG LEU A 60 0.967 0.559 5.004 1.00 54.42 C ATOM 970 CD1 LEU A 60 1.317 1.527 6.124 1.00 11.13 C ATOM 971 CD2 LEU A 60 2.150 -0.359 4.714 1.00 2.32 C ATOM 0 H LEU A 60 -1.063 0.981 7.462 1.00 23.22 H new ATOM 0 HA LEU A 60 -1.728 1.165 4.620 1.00 1.30 H new ATOM 0 HB2 LEU A 60 -0.103 -0.805 6.274 1.00 52.15 H new ATOM 0 HB3 LEU A 60 -0.425 -1.018 4.564 1.00 52.15 H new ATOM 0 HG LEU A 60 0.744 1.144 4.112 1.00 54.42 H new ATOM 0 HD11 LEU A 60 2.207 2.093 5.850 1.00 11.13 H new ATOM 0 HD12 LEU A 60 0.486 2.213 6.285 1.00 11.13 H new ATOM 0 HD13 LEU A 60 1.509 0.969 7.040 1.00 11.13 H new ATOM 0 HD21 LEU A 60 3.028 0.242 4.477 1.00 2.32 H new ATOM 0 HD22 LEU A 60 2.357 -0.973 5.590 1.00 2.32 H new ATOM 0 HD23 LEU A 60 1.912 -1.003 3.868 1.00 2.32 H new ATOM 983 N LYS A 61 -3.289 -0.848 4.406 1.00 45.13 N ATOM 984 CA LYS A 61 -4.391 -1.802 4.315 1.00 34.10 C ATOM 985 C LYS A 61 -4.195 -2.700 3.093 1.00 55.41 C ATOM 986 O LYS A 61 -3.520 -2.312 2.136 1.00 41.24 O ATOM 987 CB LYS A 61 -5.729 -1.062 4.227 1.00 44.04 C ATOM 988 CG LYS A 61 -6.939 -1.976 4.381 1.00 41.04 C ATOM 989 CD LYS A 61 -8.220 -1.188 4.606 1.00 75.31 C ATOM 990 CE LYS A 61 -9.431 -2.101 4.734 1.00 11.04 C ATOM 991 NZ LYS A 61 -9.261 -3.118 5.806 1.00 44.13 N ATOM 0 H LYS A 61 -2.950 -0.518 3.502 1.00 45.13 H new ATOM 0 HA LYS A 61 -4.401 -2.422 5.212 1.00 34.10 H new ATOM 0 HB2 LYS A 61 -5.762 -0.294 5.000 1.00 44.04 H new ATOM 0 HB3 LYS A 61 -5.790 -0.550 3.267 1.00 44.04 H new ATOM 0 HG2 LYS A 61 -7.044 -2.593 3.488 1.00 41.04 H new ATOM 0 HG3 LYS A 61 -6.778 -2.654 5.219 1.00 41.04 H new ATOM 0 HD2 LYS A 61 -8.122 -0.586 5.509 1.00 75.31 H new ATOM 0 HD3 LYS A 61 -8.372 -0.497 3.777 1.00 75.31 H new ATOM 0 HE2 LYS A 61 -10.316 -1.500 4.944 1.00 11.04 H new ATOM 0 HE3 LYS A 61 -9.606 -2.604 3.783 1.00 11.04 H new ATOM 0 HZ1 LYS A 61 -10.174 -3.580 5.995 1.00 44.13 H new ATOM 0 HZ2 LYS A 61 -8.569 -3.832 5.501 1.00 44.13 H new ATOM 0 HZ3 LYS A 61 -8.922 -2.655 6.673 1.00 44.13 H new ATOM 1005 N GLY A 62 -4.777 -3.897 3.130 1.00 51.20 N ATOM 1006 CA GLY A 62 -4.616 -4.849 2.042 1.00 75.02 C ATOM 1007 C GLY A 62 -5.907 -5.086 1.280 1.00 70.10 C ATOM 1008 O GLY A 62 -6.988 -5.109 1.874 1.00 51.52 O ATOM 0 H GLY A 62 -5.361 -4.226 3.899 1.00 51.20 H new ATOM 0 HA2 GLY A 62 -3.854 -4.484 1.354 1.00 75.02 H new ATOM 0 HA3 GLY A 62 -4.256 -5.796 2.443 1.00 75.02 H new ATOM 1012 N PHE A 63 -5.788 -5.264 -0.033 1.00 43.23 N ATOM 1013 CA PHE A 63 -6.933 -5.520 -0.910 1.00 44.44 C ATOM 1014 C PHE A 63 -6.529 -6.485 -2.025 1.00 52.11 C ATOM 1015 O PHE A 63 -5.374 -6.892 -2.112 1.00 52.41 O ATOM 1016 CB PHE A 63 -7.455 -4.215 -1.543 1.00 41.34 C ATOM 1017 CG PHE A 63 -8.038 -3.227 -0.562 1.00 61.34 C ATOM 1018 CD1 PHE A 63 -9.296 -3.435 -0.012 1.00 61.00 C ATOM 1019 CD2 PHE A 63 -7.335 -2.087 -0.198 1.00 55.52 C ATOM 1020 CE1 PHE A 63 -9.838 -2.530 0.878 1.00 52.43 C ATOM 1021 CE2 PHE A 63 -7.873 -1.180 0.695 1.00 31.21 C ATOM 1022 CZ PHE A 63 -9.125 -1.401 1.232 1.00 32.33 C ATOM 0 H PHE A 63 -4.894 -5.235 -0.523 1.00 43.23 H new ATOM 0 HA PHE A 63 -7.726 -5.957 -0.303 1.00 44.44 H new ATOM 0 HB2 PHE A 63 -6.636 -3.734 -2.079 1.00 41.34 H new ATOM 0 HB3 PHE A 63 -8.216 -4.465 -2.282 1.00 41.34 H new ATOM 0 HD1 PHE A 63 -9.858 -4.316 -0.284 1.00 61.00 H new ATOM 0 HD2 PHE A 63 -6.356 -1.907 -0.617 1.00 55.52 H new ATOM 0 HE1 PHE A 63 -10.818 -2.704 1.297 1.00 52.43 H new ATOM 0 HE2 PHE A 63 -7.314 -0.299 0.973 1.00 31.21 H new ATOM 0 HZ PHE A 63 -9.547 -0.692 1.929 1.00 32.33 H new ATOM 1032 N PHE A 64 -7.497 -6.845 -2.864 1.00 34.31 N ATOM 1033 CA PHE A 64 -7.246 -7.626 -4.075 1.00 12.31 C ATOM 1034 C PHE A 64 -7.801 -6.865 -5.272 1.00 62.21 C ATOM 1035 O PHE A 64 -8.691 -6.026 -5.111 1.00 71.43 O ATOM 1036 CB PHE A 64 -7.920 -9.006 -3.993 1.00 65.32 C ATOM 1037 CG PHE A 64 -7.362 -9.911 -2.922 1.00 41.33 C ATOM 1038 CD1 PHE A 64 -6.241 -10.691 -3.165 1.00 32.34 C ATOM 1039 CD2 PHE A 64 -7.966 -9.988 -1.672 1.00 60.31 C ATOM 1040 CE1 PHE A 64 -5.731 -11.526 -2.187 1.00 54.15 C ATOM 1041 CE2 PHE A 64 -7.460 -10.823 -0.694 1.00 11.34 C ATOM 1042 CZ PHE A 64 -6.342 -11.593 -0.952 1.00 64.44 C ATOM 0 H PHE A 64 -8.478 -6.604 -2.725 1.00 34.31 H new ATOM 0 HA PHE A 64 -6.172 -7.776 -4.180 1.00 12.31 H new ATOM 0 HB2 PHE A 64 -8.986 -8.866 -3.814 1.00 65.32 H new ATOM 0 HB3 PHE A 64 -7.822 -9.503 -4.958 1.00 65.32 H new ATOM 0 HD1 PHE A 64 -5.760 -10.646 -4.131 1.00 32.34 H new ATOM 0 HD2 PHE A 64 -8.840 -9.389 -1.463 1.00 60.31 H new ATOM 0 HE1 PHE A 64 -4.855 -12.125 -2.390 1.00 54.15 H new ATOM 0 HE2 PHE A 64 -7.939 -10.874 0.273 1.00 11.34 H new ATOM 0 HZ PHE A 64 -5.947 -12.246 -0.188 1.00 64.44 H new ATOM 1052 N ASP A 65 -7.285 -7.141 -6.466 1.00 5.02 N ATOM 1053 CA ASP A 65 -7.805 -6.495 -7.667 1.00 25.41 C ATOM 1054 C ASP A 65 -9.115 -7.152 -8.103 1.00 61.43 C ATOM 1055 O ASP A 65 -9.142 -8.293 -8.568 1.00 3.30 O ATOM 1056 CB ASP A 65 -6.774 -6.466 -8.821 1.00 61.12 C ATOM 1057 CG ASP A 65 -5.967 -7.751 -8.999 1.00 34.12 C ATOM 1058 OD1 ASP A 65 -6.567 -8.841 -9.069 1.00 42.21 O ATOM 1059 OD2 ASP A 65 -4.719 -7.665 -9.074 1.00 44.53 O ATOM 0 H ASP A 65 -6.520 -7.796 -6.627 1.00 5.02 H new ATOM 0 HA ASP A 65 -8.007 -5.454 -7.414 1.00 25.41 H new ATOM 0 HB2 ASP A 65 -7.299 -6.253 -9.752 1.00 61.12 H new ATOM 0 HB3 ASP A 65 -6.082 -5.641 -8.649 1.00 61.12 H new ATOM 1064 N ASP A 66 -10.212 -6.423 -7.906 1.00 10.25 N ATOM 1065 CA ASP A 66 -11.534 -6.876 -8.330 1.00 12.41 C ATOM 1066 C ASP A 66 -11.567 -7.052 -9.838 1.00 23.21 C ATOM 1067 O ASP A 66 -12.104 -8.034 -10.354 1.00 10.33 O ATOM 1068 CB ASP A 66 -12.612 -5.853 -7.946 1.00 33.44 C ATOM 1069 CG ASP A 66 -12.764 -5.650 -6.445 1.00 0.45 C ATOM 1070 OD1 ASP A 66 -13.583 -6.358 -5.825 1.00 22.42 O ATOM 1071 OD2 ASP A 66 -12.089 -4.754 -5.892 1.00 65.40 O ATOM 0 H ASP A 66 -10.210 -5.510 -7.452 1.00 10.25 H new ATOM 0 HA ASP A 66 -11.734 -7.824 -7.831 1.00 12.41 H new ATOM 0 HB2 ASP A 66 -12.372 -4.896 -8.410 1.00 33.44 H new ATOM 0 HB3 ASP A 66 -13.568 -6.176 -8.358 1.00 33.44 H new ATOM 1205 N THR A 75 -4.518 -3.287 -12.113 1.00 21.40 N ATOM 1206 CA THR A 75 -4.505 -2.575 -10.838 1.00 73.42 C ATOM 1207 C THR A 75 -5.868 -1.941 -10.521 1.00 71.14 C ATOM 1208 O THR A 75 -5.968 -1.052 -9.671 1.00 1.13 O ATOM 1209 CB THR A 75 -3.407 -1.485 -10.843 1.00 50.41 C ATOM 1210 OG1 THR A 75 -3.500 -0.693 -12.041 1.00 73.43 O ATOM 1211 CG2 THR A 75 -2.016 -2.109 -10.753 1.00 2.04 C ATOM 0 HA THR A 75 -4.288 -3.307 -10.060 1.00 73.42 H new ATOM 0 HB THR A 75 -3.561 -0.848 -9.972 1.00 50.41 H new ATOM 0 HG1 THR A 75 -3.962 -1.206 -12.737 1.00 73.43 H new ATOM 0 HG21 THR A 75 -1.263 -1.321 -10.758 1.00 2.04 H new ATOM 0 HG22 THR A 75 -1.934 -2.683 -9.830 1.00 2.04 H new ATOM 0 HG23 THR A 75 -1.857 -2.769 -11.606 1.00 2.04 H new ATOM 1219 N LYS A 76 -6.919 -2.412 -11.193 1.00 22.21 N ATOM 1220 CA LYS A 76 -8.267 -1.888 -10.972 1.00 72.22 C ATOM 1221 C LYS A 76 -8.957 -2.591 -9.801 1.00 21.33 C ATOM 1222 O LYS A 76 -9.410 -3.733 -9.921 1.00 5.32 O ATOM 1223 CB LYS A 76 -9.117 -2.014 -12.243 1.00 43.31 C ATOM 1224 CG LYS A 76 -8.695 -1.057 -13.353 1.00 54.12 C ATOM 1225 CD LYS A 76 -8.793 0.403 -12.908 1.00 35.23 C ATOM 1226 CE LYS A 76 -8.424 1.367 -14.029 1.00 51.00 C ATOM 1227 NZ LYS A 76 -8.453 2.780 -13.573 1.00 63.53 N ATOM 0 H LYS A 76 -6.863 -3.153 -11.892 1.00 22.21 H new ATOM 0 HA LYS A 76 -8.169 -0.832 -10.721 1.00 72.22 H new ATOM 0 HB2 LYS A 76 -9.054 -3.037 -12.613 1.00 43.31 H new ATOM 0 HB3 LYS A 76 -10.162 -1.829 -11.992 1.00 43.31 H new ATOM 0 HG2 LYS A 76 -7.671 -1.278 -13.654 1.00 54.12 H new ATOM 0 HG3 LYS A 76 -9.326 -1.214 -14.228 1.00 54.12 H new ATOM 0 HD2 LYS A 76 -9.808 0.612 -12.570 1.00 35.23 H new ATOM 0 HD3 LYS A 76 -8.133 0.568 -12.056 1.00 35.23 H new ATOM 0 HE2 LYS A 76 -7.429 1.126 -14.403 1.00 51.00 H new ATOM 0 HE3 LYS A 76 -9.117 1.239 -14.861 1.00 51.00 H new ATOM 0 HZ1 LYS A 76 -8.196 3.405 -14.363 1.00 63.53 H new ATOM 0 HZ2 LYS A 76 -9.409 3.018 -13.240 1.00 63.53 H new ATOM 0 HZ3 LYS A 76 -7.774 2.908 -12.796 1.00 63.53 H new ATOM 1241 N ILE A 77 -9.034 -1.892 -8.674 1.00 13.24 N ATOM 1242 CA ILE A 77 -9.683 -2.408 -7.477 1.00 63.35 C ATOM 1243 C ILE A 77 -10.968 -1.621 -7.204 1.00 40.25 C ATOM 1244 O ILE A 77 -10.933 -0.396 -7.059 1.00 71.25 O ATOM 1245 CB ILE A 77 -8.751 -2.310 -6.243 1.00 23.41 C ATOM 1246 CG1 ILE A 77 -7.384 -2.952 -6.537 1.00 42.33 C ATOM 1247 CG2 ILE A 77 -9.401 -2.968 -5.029 1.00 42.33 C ATOM 1248 CD1 ILE A 77 -6.400 -2.837 -5.391 1.00 2.12 C ATOM 0 H ILE A 77 -8.649 -0.954 -8.566 1.00 13.24 H new ATOM 0 HA ILE A 77 -9.918 -3.458 -7.649 1.00 63.35 H new ATOM 0 HB ILE A 77 -8.590 -1.255 -6.021 1.00 23.41 H new ATOM 0 HG12 ILE A 77 -7.531 -4.006 -6.774 1.00 42.33 H new ATOM 0 HG13 ILE A 77 -6.954 -2.483 -7.422 1.00 42.33 H new ATOM 0 HG21 ILE A 77 -8.733 -2.890 -4.171 1.00 42.33 H new ATOM 0 HG22 ILE A 77 -10.342 -2.466 -4.803 1.00 42.33 H new ATOM 0 HG23 ILE A 77 -9.594 -4.019 -5.244 1.00 42.33 H new ATOM 0 HD11 ILE A 77 -5.459 -3.312 -5.670 1.00 2.12 H new ATOM 0 HD12 ILE A 77 -6.223 -1.785 -5.167 1.00 2.12 H new ATOM 0 HD13 ILE A 77 -6.808 -3.332 -4.510 1.00 2.12 H new ATOM 1260 N SER A 78 -12.093 -2.324 -7.133 1.00 65.13 N ATOM 1261 CA SER A 78 -13.392 -1.691 -6.937 1.00 72.44 C ATOM 1262 C SER A 78 -13.575 -1.311 -5.468 1.00 4.12 C ATOM 1263 O SER A 78 -13.995 -0.195 -5.151 1.00 2.03 O ATOM 1264 CB SER A 78 -14.515 -2.632 -7.397 1.00 72.41 C ATOM 1265 OG SER A 78 -15.760 -1.956 -7.474 1.00 64.21 O ATOM 0 H SER A 78 -12.131 -3.340 -7.209 1.00 65.13 H new ATOM 0 HA SER A 78 -13.437 -0.782 -7.537 1.00 72.44 H new ATOM 0 HB2 SER A 78 -14.265 -3.049 -8.373 1.00 72.41 H new ATOM 0 HB3 SER A 78 -14.596 -3.469 -6.704 1.00 72.41 H new ATOM 0 HG SER A 78 -16.454 -2.581 -7.771 1.00 64.21 H new ATOM 1271 N THR A 79 -13.228 -2.230 -4.569 1.00 60.34 N ATOM 1272 CA THR A 79 -13.369 -1.984 -3.137 1.00 21.31 C ATOM 1273 C THR A 79 -12.457 -0.835 -2.687 1.00 42.30 C ATOM 1274 O THR A 79 -12.690 -0.218 -1.644 1.00 34.44 O ATOM 1275 CB THR A 79 -13.076 -3.262 -2.303 1.00 24.13 C ATOM 1276 OG1 THR A 79 -13.214 -2.989 -0.900 1.00 21.11 O ATOM 1277 CG2 THR A 79 -11.681 -3.804 -2.581 1.00 54.11 C ATOM 0 H THR A 79 -12.849 -3.147 -4.806 1.00 60.34 H new ATOM 0 HA THR A 79 -14.406 -1.699 -2.959 1.00 21.31 H new ATOM 0 HB THR A 79 -13.803 -4.018 -2.600 1.00 24.13 H new ATOM 0 HG1 THR A 79 -13.028 -3.804 -0.388 1.00 21.11 H new ATOM 0 HG21 THR A 79 -11.511 -4.698 -1.980 1.00 54.11 H new ATOM 0 HG22 THR A 79 -11.592 -4.055 -3.638 1.00 54.11 H new ATOM 0 HG23 THR A 79 -10.939 -3.048 -2.324 1.00 54.11 H new ATOM 1285 N LEU A 80 -11.431 -0.537 -3.486 1.00 75.52 N ATOM 1286 CA LEU A 80 -10.522 0.567 -3.188 1.00 32.42 C ATOM 1287 C LEU A 80 -11.183 1.899 -3.533 1.00 72.03 C ATOM 1288 O LEU A 80 -11.014 2.885 -2.822 1.00 63.31 O ATOM 1289 CB LEU A 80 -9.202 0.405 -3.959 1.00 63.13 C ATOM 1290 CG LEU A 80 -8.138 1.486 -3.698 1.00 13.43 C ATOM 1291 CD1 LEU A 80 -7.727 1.501 -2.228 1.00 21.42 C ATOM 1292 CD2 LEU A 80 -6.922 1.272 -4.602 1.00 55.34 C ATOM 0 H LEU A 80 -11.210 -1.045 -4.343 1.00 75.52 H new ATOM 0 HA LEU A 80 -10.297 0.554 -2.122 1.00 32.42 H new ATOM 0 HB2 LEU A 80 -8.775 -0.566 -3.710 1.00 63.13 H new ATOM 0 HB3 LEU A 80 -9.425 0.392 -5.026 1.00 63.13 H new ATOM 0 HG LEU A 80 -8.573 2.457 -3.934 1.00 13.43 H new ATOM 0 HD11 LEU A 80 -6.974 2.273 -2.069 1.00 21.42 H new ATOM 0 HD12 LEU A 80 -8.599 1.711 -1.609 1.00 21.42 H new ATOM 0 HD13 LEU A 80 -7.314 0.530 -1.956 1.00 21.42 H new ATOM 0 HD21 LEU A 80 -6.180 2.046 -4.403 1.00 55.34 H new ATOM 0 HD22 LEU A 80 -6.487 0.293 -4.402 1.00 55.34 H new ATOM 0 HD23 LEU A 80 -7.231 1.325 -5.646 1.00 55.34 H new ATOM 1304 N ASP A 81 -11.951 1.910 -4.621 1.00 14.41 N ATOM 1305 CA ASP A 81 -12.667 3.114 -5.048 1.00 24.23 C ATOM 1306 C ASP A 81 -13.615 3.577 -3.942 1.00 1.14 C ATOM 1307 O ASP A 81 -13.703 4.770 -3.631 1.00 5.24 O ATOM 1308 CB ASP A 81 -13.438 2.847 -6.352 1.00 73.21 C ATOM 1309 CG ASP A 81 -14.208 4.065 -6.846 1.00 50.22 C ATOM 1310 OD1 ASP A 81 -13.598 5.146 -6.990 1.00 65.35 O ATOM 1311 OD2 ASP A 81 -15.424 3.942 -7.116 1.00 44.41 O ATOM 0 H ASP A 81 -12.094 1.100 -5.224 1.00 14.41 H new ATOM 0 HA ASP A 81 -11.944 3.906 -5.240 1.00 24.23 H new ATOM 0 HB2 ASP A 81 -12.737 2.529 -7.124 1.00 73.21 H new ATOM 0 HB3 ASP A 81 -14.134 2.023 -6.194 1.00 73.21 H new ATOM 1316 N GLU A 82 -14.303 2.614 -3.339 1.00 15.31 N ATOM 1317 CA GLU A 82 -15.155 2.877 -2.184 1.00 25.44 C ATOM 1318 C GLU A 82 -14.314 3.360 -1.003 1.00 0.12 C ATOM 1319 O GLU A 82 -14.622 4.376 -0.381 1.00 52.23 O ATOM 1320 CB GLU A 82 -15.926 1.608 -1.791 1.00 73.11 C ATOM 1321 CG GLU A 82 -16.916 1.132 -2.848 1.00 42.44 C ATOM 1322 CD GLU A 82 -18.033 2.134 -3.088 1.00 21.32 C ATOM 1323 OE1 GLU A 82 -19.052 2.083 -2.366 1.00 52.52 O ATOM 1324 OE2 GLU A 82 -17.902 2.979 -3.997 1.00 2.44 O ATOM 0 H GLU A 82 -14.287 1.637 -3.633 1.00 15.31 H new ATOM 0 HA GLU A 82 -15.869 3.656 -2.452 1.00 25.44 H new ATOM 0 HB2 GLU A 82 -15.212 0.809 -1.590 1.00 73.11 H new ATOM 0 HB3 GLU A 82 -16.464 1.795 -0.862 1.00 73.11 H new ATOM 0 HG2 GLU A 82 -16.386 0.952 -3.783 1.00 42.44 H new ATOM 0 HG3 GLU A 82 -17.346 0.180 -2.537 1.00 42.44 H new ATOM 1331 N TYR A 83 -13.236 2.626 -0.729 1.00 11.25 N ATOM 1332 CA TYR A 83 -12.342 2.927 0.389 1.00 72.31 C ATOM 1333 C TYR A 83 -11.890 4.386 0.366 1.00 34.44 C ATOM 1334 O TYR A 83 -11.922 5.076 1.391 1.00 22.12 O ATOM 1335 CB TYR A 83 -11.122 1.997 0.339 1.00 75.02 C ATOM 1336 CG TYR A 83 -10.132 2.211 1.470 1.00 35.42 C ATOM 1337 CD1 TYR A 83 -10.408 1.748 2.751 1.00 63.34 C ATOM 1338 CD2 TYR A 83 -8.920 2.860 1.254 1.00 14.54 C ATOM 1339 CE1 TYR A 83 -9.509 1.928 3.783 1.00 73.03 C ATOM 1340 CE2 TYR A 83 -8.017 3.045 2.284 1.00 70.40 C ATOM 1341 CZ TYR A 83 -8.316 2.574 3.547 1.00 1.52 C ATOM 1342 OH TYR A 83 -7.423 2.746 4.577 1.00 34.23 O ATOM 0 H TYR A 83 -12.958 1.809 -1.273 1.00 11.25 H new ATOM 0 HA TYR A 83 -12.890 2.763 1.317 1.00 72.31 H new ATOM 0 HB2 TYR A 83 -11.466 0.963 0.362 1.00 75.02 H new ATOM 0 HB3 TYR A 83 -10.608 2.141 -0.611 1.00 75.02 H new ATOM 0 HD1 TYR A 83 -11.341 1.239 2.942 1.00 63.34 H new ATOM 0 HD2 TYR A 83 -8.681 3.225 0.266 1.00 14.54 H new ATOM 0 HE1 TYR A 83 -9.741 1.563 4.773 1.00 73.03 H new ATOM 0 HE2 TYR A 83 -7.083 3.555 2.102 1.00 70.40 H new ATOM 0 HH TYR A 83 -6.936 3.587 4.451 1.00 34.23 H new ATOM 1352 N ILE A 84 -11.475 4.852 -0.806 1.00 0.03 N ATOM 1353 CA ILE A 84 -11.023 6.230 -0.970 1.00 2.00 C ATOM 1354 C ILE A 84 -12.166 7.201 -0.681 1.00 60.13 C ATOM 1355 O ILE A 84 -11.981 8.206 0.007 1.00 73.13 O ATOM 1356 CB ILE A 84 -10.472 6.484 -2.399 1.00 13.30 C ATOM 1357 CG1 ILE A 84 -9.285 5.547 -2.695 1.00 24.33 C ATOM 1358 CG2 ILE A 84 -10.063 7.948 -2.578 1.00 0.13 C ATOM 1359 CD1 ILE A 84 -8.121 5.702 -1.736 1.00 23.24 C ATOM 0 H ILE A 84 -11.442 4.295 -1.660 1.00 0.03 H new ATOM 0 HA ILE A 84 -10.214 6.397 -0.258 1.00 2.00 H new ATOM 0 HB ILE A 84 -11.268 6.268 -3.112 1.00 13.30 H new ATOM 0 HG12 ILE A 84 -9.634 4.515 -2.663 1.00 24.33 H new ATOM 0 HG13 ILE A 84 -8.933 5.733 -3.710 1.00 24.33 H new ATOM 0 HG21 ILE A 84 -9.681 8.098 -3.588 1.00 0.13 H new ATOM 0 HG22 ILE A 84 -10.929 8.590 -2.419 1.00 0.13 H new ATOM 0 HG23 ILE A 84 -9.287 8.200 -1.855 1.00 0.13 H new ATOM 0 HD11 ILE A 84 -7.327 5.008 -2.012 1.00 23.24 H new ATOM 0 HD12 ILE A 84 -7.743 6.723 -1.784 1.00 23.24 H new ATOM 0 HD13 ILE A 84 -8.455 5.486 -0.721 1.00 23.24 H new ATOM 1371 N TYR A 85 -13.352 6.868 -1.180 1.00 71.35 N ATOM 1372 CA TYR A 85 -14.536 7.703 -1.000 1.00 13.04 C ATOM 1373 C TYR A 85 -14.912 7.796 0.479 1.00 31.04 C ATOM 1374 O TYR A 85 -15.445 8.811 0.930 1.00 33.23 O ATOM 1375 CB TYR A 85 -15.709 7.139 -1.817 1.00 34.05 C ATOM 1376 CG TYR A 85 -17.000 7.930 -1.679 1.00 14.40 C ATOM 1377 CD1 TYR A 85 -17.127 9.193 -2.247 1.00 74.34 C ATOM 1378 CD2 TYR A 85 -18.090 7.415 -0.979 1.00 1.15 C ATOM 1379 CE1 TYR A 85 -18.298 9.918 -2.123 1.00 31.05 C ATOM 1380 CE2 TYR A 85 -19.262 8.135 -0.853 1.00 32.22 C ATOM 1381 CZ TYR A 85 -19.361 9.386 -1.427 1.00 15.44 C ATOM 1382 OH TYR A 85 -20.528 10.108 -1.299 1.00 32.23 O ATOM 0 H TYR A 85 -13.520 6.017 -1.717 1.00 71.35 H new ATOM 0 HA TYR A 85 -14.309 8.707 -1.357 1.00 13.04 H new ATOM 0 HB2 TYR A 85 -15.424 7.110 -2.869 1.00 34.05 H new ATOM 0 HB3 TYR A 85 -15.891 6.110 -1.508 1.00 34.05 H new ATOM 0 HD1 TYR A 85 -16.297 9.615 -2.794 1.00 74.34 H new ATOM 0 HD2 TYR A 85 -18.017 6.437 -0.528 1.00 1.15 H new ATOM 0 HE1 TYR A 85 -18.379 10.898 -2.570 1.00 31.05 H new ATOM 0 HE2 TYR A 85 -20.097 7.721 -0.308 1.00 32.22 H new ATOM 0 HH TYR A 85 -21.178 9.590 -0.781 1.00 32.23 H new ATOM 1392 N GLU A 86 -14.624 6.736 1.226 1.00 44.41 N ATOM 1393 CA GLU A 86 -14.953 6.682 2.647 1.00 10.03 C ATOM 1394 C GLU A 86 -13.944 7.475 3.478 1.00 62.22 C ATOM 1395 O GLU A 86 -14.323 8.306 4.310 1.00 54.33 O ATOM 1396 CB GLU A 86 -14.988 5.227 3.132 1.00 24.22 C ATOM 1397 CG GLU A 86 -16.024 4.359 2.425 1.00 0.44 C ATOM 1398 CD GLU A 86 -16.031 2.929 2.939 1.00 73.24 C ATOM 1399 OE1 GLU A 86 -16.718 2.654 3.948 1.00 60.24 O ATOM 1400 OE2 GLU A 86 -15.344 2.072 2.344 1.00 2.54 O ATOM 0 H GLU A 86 -14.162 5.899 0.870 1.00 44.41 H new ATOM 0 HA GLU A 86 -15.938 7.130 2.777 1.00 10.03 H new ATOM 0 HB2 GLU A 86 -14.002 4.785 2.991 1.00 24.22 H new ATOM 0 HB3 GLU A 86 -15.191 5.217 4.203 1.00 24.22 H new ATOM 0 HG2 GLU A 86 -17.013 4.796 2.561 1.00 0.44 H new ATOM 0 HG3 GLU A 86 -15.821 4.356 1.354 1.00 0.44 H new ATOM 1407 N TYR A 87 -12.662 7.221 3.240 1.00 21.03 N ATOM 1408 CA TYR A 87 -11.593 7.795 4.059 1.00 51.45 C ATOM 1409 C TYR A 87 -10.967 9.027 3.404 1.00 35.01 C ATOM 1410 O TYR A 87 -11.282 10.162 3.765 1.00 53.55 O ATOM 1411 CB TYR A 87 -10.509 6.739 4.334 1.00 24.34 C ATOM 1412 CG TYR A 87 -10.994 5.564 5.167 1.00 4.41 C ATOM 1413 CD1 TYR A 87 -11.764 4.552 4.602 1.00 55.40 C ATOM 1414 CD2 TYR A 87 -10.684 5.471 6.519 1.00 63.32 C ATOM 1415 CE1 TYR A 87 -12.206 3.483 5.360 1.00 12.05 C ATOM 1416 CE2 TYR A 87 -11.120 4.406 7.280 1.00 21.51 C ATOM 1417 CZ TYR A 87 -11.881 3.414 6.696 1.00 11.31 C ATOM 1418 OH TYR A 87 -12.316 2.347 7.455 1.00 25.12 O ATOM 0 H TYR A 87 -12.334 6.619 2.484 1.00 21.03 H new ATOM 0 HA TYR A 87 -12.040 8.113 5.001 1.00 51.45 H new ATOM 0 HB2 TYR A 87 -10.129 6.366 3.383 1.00 24.34 H new ATOM 0 HB3 TYR A 87 -9.673 7.215 4.846 1.00 24.34 H new ATOM 0 HD1 TYR A 87 -12.021 4.602 3.554 1.00 55.40 H new ATOM 0 HD2 TYR A 87 -10.091 6.246 6.982 1.00 63.32 H new ATOM 0 HE1 TYR A 87 -12.803 2.706 4.906 1.00 12.05 H new ATOM 0 HE2 TYR A 87 -10.867 4.349 8.328 1.00 21.51 H new ATOM 0 HH TYR A 87 -11.999 2.450 8.377 1.00 25.12 H new ATOM 1428 N CYS A 88 -10.093 8.801 2.429 1.00 63.42 N ATOM 1429 CA CYS A 88 -9.315 9.885 1.835 1.00 20.41 C ATOM 1430 C CYS A 88 -10.114 10.581 0.734 1.00 74.14 C ATOM 1431 O CYS A 88 -9.762 10.528 -0.446 1.00 21.21 O ATOM 1432 CB CYS A 88 -7.978 9.350 1.293 1.00 73.53 C ATOM 1433 SG CYS A 88 -6.768 10.645 0.852 1.00 62.10 S ATOM 0 H CYS A 88 -9.905 7.880 2.033 1.00 63.42 H new ATOM 0 HA CYS A 88 -9.098 10.622 2.609 1.00 20.41 H new ATOM 0 HB2 CYS A 88 -7.533 8.694 2.042 1.00 73.53 H new ATOM 0 HB3 CYS A 88 -8.176 8.740 0.412 1.00 73.53 H new ATOM 1438 N ASN A 89 -11.212 11.222 1.131 1.00 73.41 N ATOM 1439 CA ASN A 89 -12.072 11.945 0.192 1.00 24.00 C ATOM 1440 C ASN A 89 -11.875 13.455 0.354 1.00 23.42 C ATOM 1441 O ASN A 89 -12.623 14.264 -0.197 1.00 21.42 O ATOM 1442 CB ASN A 89 -13.542 11.555 0.418 1.00 2.30 C ATOM 1443 CG ASN A 89 -14.465 12.038 -0.693 1.00 11.41 C ATOM 1444 OD1 ASN A 89 -14.045 12.202 -1.840 1.00 33.53 O ATOM 1445 ND2 ASN A 89 -15.731 12.246 -0.367 1.00 14.35 N ATOM 0 H ASN A 89 -11.529 11.256 2.100 1.00 73.41 H new ATOM 0 HA ASN A 89 -11.798 11.673 -0.827 1.00 24.00 H new ATOM 0 HB2 ASN A 89 -13.616 10.470 0.498 1.00 2.30 H new ATOM 0 HB3 ASN A 89 -13.880 11.968 1.368 1.00 2.30 H new ATOM 0 HD21 ASN A 89 -16.397 12.553 -1.076 1.00 14.35 H new ATOM 0 HD22 ASN A 89 -16.041 12.099 0.594 1.00 14.35 H new ATOM 1452 N PHE A 90 -10.841 13.823 1.106 1.00 51.10 N ATOM 1453 CA PHE A 90 -10.509 15.226 1.357 1.00 23.10 C ATOM 1454 C PHE A 90 -9.175 15.571 0.691 1.00 4.11 C ATOM 1455 O PHE A 90 -8.711 14.842 -0.184 1.00 50.02 O ATOM 1456 CB PHE A 90 -10.443 15.488 2.870 1.00 70.41 C ATOM 1457 CG PHE A 90 -11.747 15.229 3.583 1.00 4.40 C ATOM 1458 CD1 PHE A 90 -12.700 16.233 3.706 1.00 13.22 C ATOM 1459 CD2 PHE A 90 -12.024 13.981 4.125 1.00 50.30 C ATOM 1460 CE1 PHE A 90 -13.896 15.996 4.356 1.00 74.35 C ATOM 1461 CE2 PHE A 90 -13.219 13.742 4.776 1.00 44.13 C ATOM 1462 CZ PHE A 90 -14.156 14.749 4.891 1.00 51.31 C ATOM 0 H PHE A 90 -10.210 13.161 1.558 1.00 51.10 H new ATOM 0 HA PHE A 90 -11.285 15.861 0.931 1.00 23.10 H new ATOM 0 HB2 PHE A 90 -9.668 14.858 3.306 1.00 70.41 H new ATOM 0 HB3 PHE A 90 -10.145 16.523 3.039 1.00 70.41 H new ATOM 0 HD1 PHE A 90 -12.504 17.210 3.289 1.00 13.22 H new ATOM 0 HD2 PHE A 90 -11.297 13.188 4.037 1.00 50.30 H new ATOM 0 HE1 PHE A 90 -14.628 16.785 4.446 1.00 74.35 H new ATOM 0 HE2 PHE A 90 -13.420 12.767 5.195 1.00 44.13 H new ATOM 0 HZ PHE A 90 -15.091 14.562 5.398 1.00 51.31 H new ATOM 1472 N GLY A 91 -8.556 16.674 1.110 1.00 31.02 N ATOM 1473 CA GLY A 91 -7.275 17.075 0.545 1.00 43.22 C ATOM 1474 C GLY A 91 -6.114 16.296 1.138 1.00 21.32 C ATOM 1475 O GLY A 91 -5.091 16.874 1.507 1.00 51.45 O ATOM 0 H GLY A 91 -8.918 17.298 1.831 1.00 31.02 H new ATOM 0 HA2 GLY A 91 -7.295 16.928 -0.535 1.00 43.22 H new ATOM 0 HA3 GLY A 91 -7.121 18.140 0.719 1.00 43.22 H new ATOM 1479 N CYS A 92 -6.277 14.983 1.215 1.00 72.11 N ATOM 1480 CA CYS A 92 -5.285 14.099 1.815 1.00 12.21 C ATOM 1481 C CYS A 92 -4.385 13.489 0.735 1.00 31.15 C ATOM 1482 O CYS A 92 -4.347 13.975 -0.398 1.00 71.34 O ATOM 1483 CB CYS A 92 -6.008 13.009 2.619 1.00 74.15 C ATOM 1484 SG CYS A 92 -7.469 12.310 1.779 1.00 12.21 S ATOM 0 H CYS A 92 -7.103 14.498 0.863 1.00 72.11 H new ATOM 0 HA CYS A 92 -4.644 14.669 2.488 1.00 12.21 H new ATOM 0 HB2 CYS A 92 -5.305 12.204 2.833 1.00 74.15 H new ATOM 0 HB3 CYS A 92 -6.318 13.425 3.578 1.00 74.15 H new ATOM 1489 N ALA A 93 -3.651 12.439 1.098 1.00 2.35 N ATOM 1490 CA ALA A 93 -2.750 11.758 0.174 1.00 24.40 C ATOM 1491 C ALA A 93 -2.733 10.262 0.468 1.00 1.43 C ATOM 1492 O ALA A 93 -3.178 9.836 1.536 1.00 41.31 O ATOM 1493 CB ALA A 93 -1.344 12.344 0.286 1.00 41.21 C ATOM 0 H ALA A 93 -3.664 12.039 2.036 1.00 2.35 H new ATOM 0 HA ALA A 93 -3.106 11.906 -0.845 1.00 24.40 H new ATOM 0 HB1 ALA A 93 -0.679 11.829 -0.407 1.00 41.21 H new ATOM 0 HB2 ALA A 93 -1.372 13.406 0.041 1.00 41.21 H new ATOM 0 HB3 ALA A 93 -0.976 12.216 1.304 1.00 41.21 H new ATOM 1499 N TYR A 94 -2.228 9.471 -0.478 1.00 73.25 N ATOM 1500 CA TYR A 94 -2.119 8.024 -0.300 1.00 34.31 C ATOM 1501 C TYR A 94 -1.221 7.410 -1.373 1.00 2.11 C ATOM 1502 O TYR A 94 -0.868 8.069 -2.358 1.00 14.33 O ATOM 1503 CB TYR A 94 -3.508 7.353 -0.312 1.00 5.44 C ATOM 1504 CG TYR A 94 -4.276 7.495 -1.615 1.00 3.43 C ATOM 1505 CD1 TYR A 94 -5.087 8.601 -1.852 1.00 64.14 C ATOM 1506 CD2 TYR A 94 -4.201 6.517 -2.603 1.00 73.30 C ATOM 1507 CE1 TYR A 94 -5.794 8.729 -3.031 1.00 63.13 C ATOM 1508 CE2 TYR A 94 -4.905 6.641 -3.785 1.00 72.01 C ATOM 1509 CZ TYR A 94 -5.700 7.747 -3.995 1.00 20.35 C ATOM 1510 OH TYR A 94 -6.403 7.870 -5.171 1.00 22.44 O ATOM 0 H TYR A 94 -1.887 9.809 -1.378 1.00 73.25 H new ATOM 0 HA TYR A 94 -1.665 7.845 0.675 1.00 34.31 H new ATOM 0 HB2 TYR A 94 -3.385 6.292 -0.094 1.00 5.44 H new ATOM 0 HB3 TYR A 94 -4.107 7.777 0.494 1.00 5.44 H new ATOM 0 HD1 TYR A 94 -5.165 9.373 -1.100 1.00 64.14 H new ATOM 0 HD2 TYR A 94 -3.582 5.647 -2.443 1.00 73.30 H new ATOM 0 HE1 TYR A 94 -6.418 9.595 -3.198 1.00 63.13 H new ATOM 0 HE2 TYR A 94 -4.833 5.874 -4.542 1.00 72.01 H new ATOM 0 HH TYR A 94 -6.225 7.093 -5.741 1.00 22.44 H new ATOM 1520 N PHE A 95 -0.857 6.147 -1.174 1.00 33.43 N ATOM 1521 CA PHE A 95 -0.002 5.419 -2.110 1.00 71.14 C ATOM 1522 C PHE A 95 -0.465 3.969 -2.229 1.00 13.41 C ATOM 1523 O PHE A 95 -0.950 3.390 -1.258 1.00 42.33 O ATOM 1524 CB PHE A 95 1.467 5.478 -1.652 1.00 23.03 C ATOM 1525 CG PHE A 95 1.708 4.908 -0.269 1.00 1.25 C ATOM 1526 CD1 PHE A 95 1.991 3.558 -0.094 1.00 20.51 C ATOM 1527 CD2 PHE A 95 1.656 5.725 0.853 1.00 4.33 C ATOM 1528 CE1 PHE A 95 2.212 3.037 1.167 1.00 41.42 C ATOM 1529 CE2 PHE A 95 1.877 5.207 2.117 1.00 42.43 C ATOM 1530 CZ PHE A 95 2.156 3.863 2.274 1.00 75.22 C ATOM 0 H PHE A 95 -1.144 5.599 -0.363 1.00 33.43 H new ATOM 0 HA PHE A 95 -0.077 5.890 -3.090 1.00 71.14 H new ATOM 0 HB2 PHE A 95 2.082 4.934 -2.369 1.00 23.03 H new ATOM 0 HB3 PHE A 95 1.800 6.516 -1.668 1.00 23.03 H new ATOM 0 HD1 PHE A 95 2.039 2.908 -0.955 1.00 20.51 H new ATOM 0 HD2 PHE A 95 1.441 6.777 0.738 1.00 4.33 H new ATOM 0 HE1 PHE A 95 2.428 1.986 1.287 1.00 41.42 H new ATOM 0 HE2 PHE A 95 1.831 5.853 2.981 1.00 42.43 H new ATOM 0 HZ PHE A 95 2.330 3.458 3.260 1.00 75.22 H new ATOM 1540 N VAL A 96 -0.315 3.390 -3.420 1.00 0.20 N ATOM 1541 CA VAL A 96 -0.729 2.008 -3.673 1.00 64.31 C ATOM 1542 C VAL A 96 0.413 1.209 -4.303 1.00 55.44 C ATOM 1543 O VAL A 96 0.904 1.552 -5.386 1.00 61.14 O ATOM 1544 CB VAL A 96 -1.968 1.933 -4.608 1.00 34.12 C ATOM 1545 CG1 VAL A 96 -2.401 0.481 -4.821 1.00 34.04 C ATOM 1546 CG2 VAL A 96 -3.130 2.764 -4.062 1.00 55.45 C ATOM 0 H VAL A 96 0.092 3.859 -4.229 1.00 0.20 H new ATOM 0 HA VAL A 96 -0.996 1.580 -2.707 1.00 64.31 H new ATOM 0 HB VAL A 96 -1.679 2.353 -5.571 1.00 34.12 H new ATOM 0 HG11 VAL A 96 -3.270 0.453 -5.479 1.00 34.04 H new ATOM 0 HG12 VAL A 96 -1.584 -0.079 -5.275 1.00 34.04 H new ATOM 0 HG13 VAL A 96 -2.658 0.033 -3.861 1.00 34.04 H new ATOM 0 HG21 VAL A 96 -3.980 2.690 -4.740 1.00 55.45 H new ATOM 0 HG22 VAL A 96 -3.415 2.389 -3.079 1.00 55.45 H new ATOM 0 HG23 VAL A 96 -2.823 3.807 -3.977 1.00 55.45 H new ATOM 1556 N LEU A 97 0.841 0.159 -3.610 1.00 73.34 N ATOM 1557 CA LEU A 97 1.848 -0.772 -4.120 1.00 20.01 C ATOM 1558 C LEU A 97 1.192 -2.104 -4.486 1.00 62.24 C ATOM 1559 O LEU A 97 0.353 -2.617 -3.740 1.00 34.04 O ATOM 1560 CB LEU A 97 2.957 -1.016 -3.074 1.00 74.34 C ATOM 1561 CG LEU A 97 4.119 -0.002 -3.063 1.00 53.53 C ATOM 1562 CD1 LEU A 97 3.643 1.407 -2.727 1.00 32.31 C ATOM 1563 CD2 LEU A 97 5.200 -0.444 -2.083 1.00 40.33 C ATOM 0 H LEU A 97 0.500 -0.073 -2.677 1.00 73.34 H new ATOM 0 HA LEU A 97 2.298 -0.329 -5.008 1.00 20.01 H new ATOM 0 HB2 LEU A 97 2.499 -1.023 -2.085 1.00 74.34 H new ATOM 0 HB3 LEU A 97 3.372 -2.010 -3.240 1.00 74.34 H new ATOM 0 HG LEU A 97 4.538 0.025 -4.069 1.00 53.53 H new ATOM 0 HD11 LEU A 97 4.493 2.089 -2.730 1.00 32.31 H new ATOM 0 HD12 LEU A 97 2.915 1.732 -3.470 1.00 32.31 H new ATOM 0 HD13 LEU A 97 3.180 1.409 -1.740 1.00 32.31 H new ATOM 0 HD21 LEU A 97 6.013 0.282 -2.087 1.00 40.33 H new ATOM 0 HD22 LEU A 97 4.777 -0.510 -1.081 1.00 40.33 H new ATOM 0 HD23 LEU A 97 5.584 -1.420 -2.380 1.00 40.33 H new ATOM 1575 N LYS A 98 1.572 -2.662 -5.633 1.00 30.43 N ATOM 1576 CA LYS A 98 1.090 -3.977 -6.050 1.00 4.13 C ATOM 1577 C LYS A 98 2.211 -5.002 -5.929 1.00 35.50 C ATOM 1578 O LYS A 98 3.364 -4.707 -6.249 1.00 75.22 O ATOM 1579 CB LYS A 98 0.573 -3.944 -7.497 1.00 30.31 C ATOM 1580 CG LYS A 98 0.076 -5.301 -7.999 1.00 60.52 C ATOM 1581 CD LYS A 98 -0.410 -5.244 -9.447 1.00 33.21 C ATOM 1582 CE LYS A 98 -0.847 -6.617 -9.961 1.00 71.33 C ATOM 1583 NZ LYS A 98 -1.999 -7.179 -9.204 1.00 32.20 N ATOM 0 H LYS A 98 2.214 -2.223 -6.292 1.00 30.43 H new ATOM 0 HA LYS A 98 0.264 -4.259 -5.397 1.00 4.13 H new ATOM 0 HB2 LYS A 98 -0.239 -3.220 -7.568 1.00 30.31 H new ATOM 0 HB3 LYS A 98 1.371 -3.593 -8.152 1.00 30.31 H new ATOM 0 HG2 LYS A 98 0.880 -6.032 -7.917 1.00 60.52 H new ATOM 0 HG3 LYS A 98 -0.736 -5.647 -7.359 1.00 60.52 H new ATOM 0 HD2 LYS A 98 -1.245 -4.547 -9.522 1.00 33.21 H new ATOM 0 HD3 LYS A 98 0.387 -4.856 -10.082 1.00 33.21 H new ATOM 0 HE2 LYS A 98 -1.115 -6.536 -11.014 1.00 71.33 H new ATOM 0 HE3 LYS A 98 -0.006 -7.307 -9.898 1.00 71.33 H new ATOM 0 HZ1 LYS A 98 -2.687 -7.585 -9.870 1.00 32.20 H new ATOM 0 HZ2 LYS A 98 -1.661 -7.922 -8.559 1.00 32.20 H new ATOM 0 HZ3 LYS A 98 -2.455 -6.423 -8.654 1.00 32.20 H new ATOM 1597 N ARG A 99 1.869 -6.194 -5.457 1.00 74.32 N ATOM 1598 CA ARG A 99 2.834 -7.274 -5.310 1.00 31.53 C ATOM 1599 C ARG A 99 3.133 -7.885 -6.675 1.00 11.20 C ATOM 1600 O ARG A 99 2.326 -8.643 -7.219 1.00 33.33 O ATOM 1601 CB ARG A 99 2.294 -8.329 -4.325 1.00 73.32 C ATOM 1602 CG ARG A 99 3.282 -9.438 -3.942 1.00 72.33 C ATOM 1603 CD ARG A 99 3.275 -10.599 -4.931 1.00 42.10 C ATOM 1604 NE ARG A 99 4.069 -11.733 -4.447 1.00 12.21 N ATOM 1605 CZ ARG A 99 3.545 -12.851 -3.940 1.00 22.43 C ATOM 1606 NH1 ARG A 99 2.227 -13.001 -3.860 1.00 1.01 N ATOM 1607 NH2 ARG A 99 4.343 -13.822 -3.514 1.00 23.53 N ATOM 0 H ARG A 99 0.922 -6.438 -5.167 1.00 74.32 H new ATOM 0 HA ARG A 99 3.766 -6.882 -4.903 1.00 31.53 H new ATOM 0 HB2 ARG A 99 1.973 -7.821 -3.415 1.00 73.32 H new ATOM 0 HB3 ARG A 99 1.408 -8.790 -4.762 1.00 73.32 H new ATOM 0 HG2 ARG A 99 4.287 -9.020 -3.886 1.00 72.33 H new ATOM 0 HG3 ARG A 99 3.036 -9.811 -2.948 1.00 72.33 H new ATOM 0 HD2 ARG A 99 2.249 -10.922 -5.105 1.00 42.10 H new ATOM 0 HD3 ARG A 99 3.670 -10.262 -5.890 1.00 42.10 H new ATOM 0 HE ARG A 99 5.085 -11.663 -4.501 1.00 12.21 H new ATOM 0 HH11 ARG A 99 1.608 -12.259 -4.187 1.00 1.01 H new ATOM 0 HH12 ARG A 99 1.834 -13.858 -3.471 1.00 1.01 H new ATOM 0 HH21 ARG A 99 5.355 -13.713 -3.574 1.00 23.53 H new ATOM 0 HH22 ARG A 99 3.944 -14.677 -3.126 1.00 23.53 H new ATOM 1621 N ILE A 100 4.277 -7.517 -7.234 1.00 71.43 N ATOM 1622 CA ILE A 100 4.725 -8.054 -8.508 1.00 44.21 C ATOM 1623 C ILE A 100 4.996 -9.549 -8.363 1.00 40.23 C ATOM 1624 O ILE A 100 5.414 -10.011 -7.300 1.00 20.12 O ATOM 1625 CB ILE A 100 6.003 -7.331 -9.007 1.00 61.31 C ATOM 1626 CG1 ILE A 100 5.792 -5.805 -9.013 1.00 2.35 C ATOM 1627 CG2 ILE A 100 6.397 -7.828 -10.396 1.00 33.12 C ATOM 1628 CD1 ILE A 100 4.634 -5.340 -9.877 1.00 61.04 C ATOM 0 H ILE A 100 4.917 -6.841 -6.818 1.00 71.43 H new ATOM 0 HA ILE A 100 3.939 -7.891 -9.245 1.00 44.21 H new ATOM 0 HB ILE A 100 6.818 -7.562 -8.321 1.00 61.31 H new ATOM 0 HG12 ILE A 100 5.625 -5.469 -7.990 1.00 2.35 H new ATOM 0 HG13 ILE A 100 6.706 -5.325 -9.361 1.00 2.35 H new ATOM 0 HG21 ILE A 100 7.296 -7.308 -10.727 1.00 33.12 H new ATOM 0 HG22 ILE A 100 6.591 -8.900 -10.357 1.00 33.12 H new ATOM 0 HG23 ILE A 100 5.585 -7.632 -11.097 1.00 33.12 H new ATOM 0 HD11 ILE A 100 4.555 -4.254 -9.825 1.00 61.04 H new ATOM 0 HD12 ILE A 100 4.806 -5.643 -10.910 1.00 61.04 H new ATOM 0 HD13 ILE A 100 3.708 -5.789 -9.517 1.00 61.04 H new ATOM 1640 N ARG A 101 4.757 -10.302 -9.429 1.00 32.41 N ATOM 1641 CA ARG A 101 4.850 -11.759 -9.379 1.00 14.12 C ATOM 1642 C ARG A 101 6.311 -12.231 -9.427 1.00 64.12 C ATOM 1643 O ARG A 101 6.587 -13.427 -9.305 1.00 1.21 O ATOM 1644 CB ARG A 101 4.020 -12.370 -10.525 1.00 1.10 C ATOM 1645 CG ARG A 101 3.797 -13.883 -10.411 1.00 15.23 C ATOM 1646 CD ARG A 101 4.700 -14.680 -11.346 1.00 23.24 C ATOM 1647 NE ARG A 101 4.388 -14.424 -12.754 1.00 21.42 N ATOM 1648 CZ ARG A 101 5.127 -14.858 -13.774 1.00 42.21 C ATOM 1649 NH1 ARG A 101 6.245 -15.541 -13.551 1.00 53.41 N ATOM 1650 NH2 ARG A 101 4.743 -14.604 -15.016 1.00 33.35 N ATOM 0 H ARG A 101 4.497 -9.929 -10.342 1.00 32.41 H new ATOM 0 HA ARG A 101 4.440 -12.104 -8.429 1.00 14.12 H new ATOM 0 HB2 ARG A 101 3.050 -11.874 -10.559 1.00 1.10 H new ATOM 0 HB3 ARG A 101 4.519 -12.159 -11.471 1.00 1.10 H new ATOM 0 HG2 ARG A 101 3.977 -14.197 -9.383 1.00 15.23 H new ATOM 0 HG3 ARG A 101 2.755 -14.111 -10.636 1.00 15.23 H new ATOM 0 HD2 ARG A 101 5.741 -14.423 -11.152 1.00 23.24 H new ATOM 0 HD3 ARG A 101 4.590 -15.744 -11.137 1.00 23.24 H new ATOM 0 HE ARG A 101 3.552 -13.879 -12.967 1.00 21.42 H new ATOM 0 HH11 ARG A 101 6.542 -15.736 -12.595 1.00 53.41 H new ATOM 0 HH12 ARG A 101 6.806 -15.871 -14.336 1.00 53.41 H new ATOM 0 HH21 ARG A 101 3.886 -14.079 -15.187 1.00 33.35 H new ATOM 0 HH22 ARG A 101 5.305 -14.934 -15.801 1.00 33.35 H new ATOM 1664 N LYS A 102 7.246 -11.295 -9.582 1.00 13.33 N ATOM 1665 CA LYS A 102 8.672 -11.634 -9.612 1.00 3.21 C ATOM 1666 C LYS A 102 9.283 -11.465 -8.226 1.00 2.04 C ATOM 1667 O LYS A 102 8.646 -10.921 -7.322 1.00 11.41 O ATOM 1668 CB LYS A 102 9.440 -10.743 -10.603 1.00 73.23 C ATOM 1669 CG LYS A 102 8.810 -10.638 -11.985 1.00 11.35 C ATOM 1670 CD LYS A 102 9.746 -9.959 -12.989 1.00 61.52 C ATOM 1671 CE LYS A 102 10.332 -8.649 -12.456 1.00 43.40 C ATOM 1672 NZ LYS A 102 9.280 -7.710 -11.986 1.00 11.05 N ATOM 0 H LYS A 102 7.046 -10.301 -9.688 1.00 13.33 H new ATOM 0 HA LYS A 102 8.754 -12.672 -9.934 1.00 3.21 H new ATOM 0 HB2 LYS A 102 9.524 -9.742 -10.180 1.00 73.23 H new ATOM 0 HB3 LYS A 102 10.453 -11.131 -10.709 1.00 73.23 H new ATOM 0 HG2 LYS A 102 8.554 -11.635 -12.344 1.00 11.35 H new ATOM 0 HG3 LYS A 102 7.879 -10.075 -11.918 1.00 11.35 H new ATOM 0 HD2 LYS A 102 10.559 -10.640 -13.240 1.00 61.52 H new ATOM 0 HD3 LYS A 102 9.200 -9.760 -13.911 1.00 61.52 H new ATOM 0 HE2 LYS A 102 11.015 -8.867 -11.635 1.00 43.40 H new ATOM 0 HE3 LYS A 102 10.919 -8.171 -13.240 1.00 43.40 H new ATOM 0 HZ1 LYS A 102 9.466 -6.761 -12.368 1.00 11.05 H new ATOM 0 HZ2 LYS A 102 8.349 -8.039 -12.314 1.00 11.05 H new ATOM 0 HZ3 LYS A 102 9.288 -7.672 -10.947 1.00 11.05 H new ATOM 1686 N LEU A 103 10.514 -11.936 -8.071 1.00 1.31 N ATOM 1687 CA LEU A 103 11.283 -11.723 -6.849 1.00 23.44 C ATOM 1688 C LEU A 103 12.698 -12.255 -7.048 1.00 12.21 C ATOM 1689 O LEU A 103 12.906 -13.470 -7.161 1.00 43.24 O ATOM 1690 CB LEU A 103 10.608 -12.401 -5.634 1.00 5.43 C ATOM 1691 CG LEU A 103 11.117 -11.971 -4.234 1.00 14.52 C ATOM 1692 CD1 LEU A 103 12.513 -12.516 -3.935 1.00 45.42 C ATOM 1693 CD2 LEU A 103 11.101 -10.448 -4.095 1.00 2.45 C ATOM 0 H LEU A 103 11.006 -12.474 -8.784 1.00 1.31 H new ATOM 0 HA LEU A 103 11.324 -10.654 -6.640 1.00 23.44 H new ATOM 0 HB2 LEU A 103 9.537 -12.203 -5.684 1.00 5.43 H new ATOM 0 HB3 LEU A 103 10.738 -13.479 -5.729 1.00 5.43 H new ATOM 0 HG LEU A 103 10.434 -12.401 -3.501 1.00 14.52 H new ATOM 0 HD11 LEU A 103 12.827 -12.189 -2.944 1.00 45.42 H new ATOM 0 HD12 LEU A 103 12.493 -13.605 -3.968 1.00 45.42 H new ATOM 0 HD13 LEU A 103 13.216 -12.143 -4.680 1.00 45.42 H new ATOM 0 HD21 LEU A 103 11.462 -10.169 -3.105 1.00 2.45 H new ATOM 0 HD22 LEU A 103 11.747 -10.007 -4.854 1.00 2.45 H new ATOM 0 HD23 LEU A 103 10.083 -10.081 -4.226 1.00 2.45 H new