USER MOD reduce.3.24.130724 H: found=0, std=0, add=552, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 550 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 95 HIS : no HD1:sc= -1 K(o=-1,f=-1.6) USER MOD Set 1.2: A 114 SER OG : rot -150:sc= 0 USER MOD Set 2.1: A 47 THR OG1 : rot 180:sc= -0.938 USER MOD Set 2.2: A 83 SER OG : rot -150:sc= -0.633 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot -120:sc= 0.334 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= -4.2! (180deg=-4.2!) USER MOD Single : A 45 SER OG : rot 180:sc= -0.67 USER MOD Single : A 48 HIS : no HD1:sc= -0.116 X(o=-0.12,f=-0.032) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN : amide:sc= -1.55 X(o=-1.5,f=-1.4!) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot -25:sc= 0.46 USER MOD Single : A 76 HIS : no HE2:sc= -0.76 K(o=-0.76,f=-1.6) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 THR OG1 : rot 33:sc= 1.12 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 HIS : no HD1:sc= -0.245 X(o=-0.24,f=-0.037) USER MOD Single : A 115 MET CE :methyl -129:sc=-0.00352 (180deg=-0.23) USER MOD Single : A 116 THR OG1 : rot -134:sc= -1.5 USER MOD Single : A 117 THR OG1 : rot 180:sc= -0.708 USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 THR OG1 : rot -92:sc= 0.0913 USER MOD ----------------------------------------------------------------- ATOM 153 N ALA A 35 0.566 6.606 8.174 1.00 30.02 N ATOM 154 CA ALA A 35 0.525 5.427 7.317 1.00 14.54 C ATOM 155 C ALA A 35 -0.779 4.659 7.504 1.00 73.04 C ATOM 156 O ALA A 35 -1.447 4.306 6.531 1.00 63.11 O ATOM 157 CB ALA A 35 1.716 4.526 7.603 1.00 64.44 C ATOM 0 HA ALA A 35 0.576 5.759 6.280 1.00 14.54 H new ATOM 0 HB1 ALA A 35 1.673 3.650 6.956 1.00 64.44 H new ATOM 0 HB2 ALA A 35 2.640 5.072 7.412 1.00 64.44 H new ATOM 0 HB3 ALA A 35 1.690 4.209 8.646 1.00 64.44 H new ATOM 163 N ILE A 36 -1.136 4.403 8.758 1.00 64.43 N ATOM 164 CA ILE A 36 -2.360 3.676 9.070 1.00 10.11 C ATOM 165 C ILE A 36 -3.587 4.420 8.555 1.00 14.32 C ATOM 166 O ILE A 36 -4.596 3.808 8.204 1.00 54.51 O ATOM 167 CB ILE A 36 -2.509 3.450 10.586 1.00 12.02 C ATOM 168 CG1 ILE A 36 -2.549 4.791 11.322 1.00 30.34 C ATOM 169 CG2 ILE A 36 -1.370 2.587 11.108 1.00 71.24 C ATOM 170 CD1 ILE A 36 -2.868 4.662 12.795 1.00 13.13 C ATOM 0 H ILE A 36 -0.595 4.688 9.574 1.00 64.43 H new ATOM 0 HA ILE A 36 -2.289 2.709 8.572 1.00 10.11 H new ATOM 0 HB ILE A 36 -3.448 2.928 10.770 1.00 12.02 H new ATOM 0 HG12 ILE A 36 -1.585 5.287 11.209 1.00 30.34 H new ATOM 0 HG13 ILE A 36 -3.294 5.432 10.852 1.00 30.34 H new ATOM 0 HG21 ILE A 36 -1.490 2.437 12.181 1.00 71.24 H new ATOM 0 HG22 ILE A 36 -1.384 1.621 10.602 1.00 71.24 H new ATOM 0 HG23 ILE A 36 -0.419 3.084 10.915 1.00 71.24 H new ATOM 0 HD11 ILE A 36 -2.880 5.651 13.253 1.00 13.13 H new ATOM 0 HD12 ILE A 36 -3.845 4.195 12.916 1.00 13.13 H new ATOM 0 HD13 ILE A 36 -2.109 4.047 13.279 1.00 13.13 H new ATOM 182 N LYS A 37 -3.494 5.745 8.511 1.00 20.02 N ATOM 183 CA LYS A 37 -4.595 6.575 8.036 1.00 22.22 C ATOM 184 C LYS A 37 -4.932 6.252 6.584 1.00 41.20 C ATOM 185 O LYS A 37 -6.102 6.159 6.215 1.00 74.34 O ATOM 186 CB LYS A 37 -4.238 8.057 8.171 1.00 34.11 C ATOM 187 CG LYS A 37 -5.198 8.835 9.054 1.00 13.40 C ATOM 188 CD LYS A 37 -6.561 8.986 8.399 1.00 31.21 C ATOM 189 CE LYS A 37 -7.555 7.969 8.940 1.00 2.44 C ATOM 190 NZ LYS A 37 -8.933 8.529 9.020 1.00 64.10 N ATOM 0 H LYS A 37 -2.667 6.267 8.799 1.00 20.02 H new ATOM 0 HA LYS A 37 -5.470 6.361 8.650 1.00 22.22 H new ATOM 0 HB2 LYS A 37 -3.231 8.144 8.579 1.00 34.11 H new ATOM 0 HB3 LYS A 37 -4.221 8.510 7.180 1.00 34.11 H new ATOM 0 HG2 LYS A 37 -5.308 8.325 10.011 1.00 13.40 H new ATOM 0 HG3 LYS A 37 -4.783 9.821 9.264 1.00 13.40 H new ATOM 0 HD2 LYS A 37 -6.939 9.994 8.572 1.00 31.21 H new ATOM 0 HD3 LYS A 37 -6.463 8.863 7.320 1.00 31.21 H new ATOM 0 HE2 LYS A 37 -7.558 7.087 8.299 1.00 2.44 H new ATOM 0 HE3 LYS A 37 -7.238 7.642 9.930 1.00 2.44 H new ATOM 0 HZ1 LYS A 37 -9.581 7.806 9.393 1.00 64.10 H new ATOM 0 HZ2 LYS A 37 -8.936 9.355 9.652 1.00 64.10 H new ATOM 0 HZ3 LYS A 37 -9.246 8.818 8.071 1.00 64.10 H new ATOM 204 N SER A 38 -3.899 6.082 5.765 1.00 22.11 N ATOM 205 CA SER A 38 -4.086 5.772 4.353 1.00 71.14 C ATOM 206 C SER A 38 -4.738 4.403 4.179 1.00 43.45 C ATOM 207 O SER A 38 -5.630 4.228 3.349 1.00 55.41 O ATOM 208 CB SER A 38 -2.744 5.807 3.619 1.00 52.43 C ATOM 209 OG SER A 38 -2.275 7.137 3.478 1.00 50.23 O ATOM 0 H SER A 38 -2.924 6.154 6.055 1.00 22.11 H new ATOM 0 HA SER A 38 -4.746 6.527 3.925 1.00 71.14 H new ATOM 0 HB2 SER A 38 -2.011 5.215 4.167 1.00 52.43 H new ATOM 0 HB3 SER A 38 -2.852 5.350 2.635 1.00 52.43 H new ATOM 0 HG SER A 38 -2.173 7.349 2.527 1.00 50.23 H new ATOM 215 N LYS A 39 -4.285 3.435 4.967 1.00 25.21 N ATOM 216 CA LYS A 39 -4.822 2.081 4.903 1.00 13.03 C ATOM 217 C LYS A 39 -6.310 2.070 5.241 1.00 23.02 C ATOM 218 O LYS A 39 -7.101 1.393 4.584 1.00 23.35 O ATOM 219 CB LYS A 39 -4.063 1.163 5.864 1.00 34.11 C ATOM 220 CG LYS A 39 -2.559 1.369 5.842 1.00 42.24 C ATOM 221 CD LYS A 39 -1.830 0.238 6.547 1.00 32.22 C ATOM 222 CE LYS A 39 -2.254 0.124 8.003 1.00 15.24 C ATOM 223 NZ LYS A 39 -1.105 0.307 8.932 1.00 2.20 N ATOM 0 H LYS A 39 -3.546 3.563 5.659 1.00 25.21 H new ATOM 0 HA LYS A 39 -4.696 1.714 3.884 1.00 13.03 H new ATOM 0 HB2 LYS A 39 -4.429 1.329 6.877 1.00 34.11 H new ATOM 0 HB3 LYS A 39 -4.283 0.126 5.612 1.00 34.11 H new ATOM 0 HG2 LYS A 39 -2.215 1.437 4.810 1.00 42.24 H new ATOM 0 HG3 LYS A 39 -2.314 2.316 6.322 1.00 42.24 H new ATOM 0 HD2 LYS A 39 -2.032 -0.702 6.034 1.00 32.22 H new ATOM 0 HD3 LYS A 39 -0.755 0.407 6.492 1.00 32.22 H new ATOM 0 HE2 LYS A 39 -3.018 0.872 8.218 1.00 15.24 H new ATOM 0 HE3 LYS A 39 -2.707 -0.853 8.174 1.00 15.24 H new ATOM 0 HZ1 LYS A 39 -1.436 0.222 9.914 1.00 2.20 H new ATOM 0 HZ2 LYS A 39 -0.387 -0.422 8.744 1.00 2.20 H new ATOM 0 HZ3 LYS A 39 -0.688 1.249 8.787 1.00 2.20 H new ATOM 237 N VAL A 40 -6.684 2.826 6.269 1.00 73.53 N ATOM 238 CA VAL A 40 -8.077 2.905 6.692 1.00 73.52 C ATOM 239 C VAL A 40 -8.981 3.313 5.534 1.00 71.31 C ATOM 240 O VAL A 40 -10.081 2.784 5.377 1.00 51.22 O ATOM 241 CB VAL A 40 -8.257 3.907 7.847 1.00 0.31 C ATOM 242 CG1 VAL A 40 -9.730 4.225 8.054 1.00 0.31 C ATOM 243 CG2 VAL A 40 -7.636 3.364 9.125 1.00 44.21 C ATOM 0 H VAL A 40 -6.042 3.392 6.824 1.00 73.53 H new ATOM 0 HA VAL A 40 -8.360 1.910 7.037 1.00 73.52 H new ATOM 0 HB VAL A 40 -7.744 4.832 7.585 1.00 0.31 H new ATOM 0 HG11 VAL A 40 -9.837 4.935 8.874 1.00 0.31 H new ATOM 0 HG12 VAL A 40 -10.140 4.660 7.142 1.00 0.31 H new ATOM 0 HG13 VAL A 40 -10.270 3.309 8.294 1.00 0.31 H new ATOM 0 HG21 VAL A 40 -7.773 4.085 9.931 1.00 44.21 H new ATOM 0 HG22 VAL A 40 -8.119 2.424 9.393 1.00 44.21 H new ATOM 0 HG23 VAL A 40 -6.571 3.193 8.968 1.00 44.21 H new ATOM 253 N GLU A 41 -8.508 4.256 4.726 1.00 54.34 N ATOM 254 CA GLU A 41 -9.275 4.735 3.581 1.00 10.55 C ATOM 255 C GLU A 41 -9.599 3.591 2.626 1.00 71.22 C ATOM 256 O GLU A 41 -10.669 3.559 2.019 1.00 51.13 O ATOM 257 CB GLU A 41 -8.500 5.828 2.842 1.00 53.13 C ATOM 258 CG GLU A 41 -7.921 6.891 3.760 1.00 51.32 C ATOM 259 CD GLU A 41 -8.852 7.245 4.903 1.00 31.13 C ATOM 260 OE1 GLU A 41 -10.075 7.334 4.666 1.00 71.50 O ATOM 261 OE2 GLU A 41 -8.358 7.433 6.035 1.00 54.24 O ATOM 0 H GLU A 41 -7.599 4.703 4.842 1.00 54.34 H new ATOM 0 HA GLU A 41 -10.212 5.151 3.952 1.00 10.55 H new ATOM 0 HB2 GLU A 41 -7.690 5.368 2.277 1.00 53.13 H new ATOM 0 HB3 GLU A 41 -9.162 6.305 2.119 1.00 53.13 H new ATOM 0 HG2 GLU A 41 -6.972 6.538 4.165 1.00 51.32 H new ATOM 0 HG3 GLU A 41 -7.706 7.789 3.180 1.00 51.32 H new ATOM 268 N ALA A 42 -8.666 2.653 2.498 1.00 74.24 N ATOM 269 CA ALA A 42 -8.852 1.506 1.618 1.00 74.33 C ATOM 270 C ALA A 42 -9.629 0.396 2.319 1.00 50.33 C ATOM 271 O ALA A 42 -10.218 -0.467 1.670 1.00 75.23 O ATOM 272 CB ALA A 42 -7.506 0.987 1.136 1.00 61.45 C ATOM 0 H ALA A 42 -7.774 2.665 2.993 1.00 74.24 H new ATOM 0 HA ALA A 42 -9.434 1.832 0.756 1.00 74.33 H new ATOM 0 HB1 ALA A 42 -7.660 0.130 0.480 1.00 61.45 H new ATOM 0 HB2 ALA A 42 -6.987 1.774 0.589 1.00 61.45 H new ATOM 0 HB3 ALA A 42 -6.905 0.684 1.993 1.00 61.45 H new ATOM 278 N ALA A 43 -9.625 0.426 3.647 1.00 25.34 N ATOM 279 CA ALA A 43 -10.330 -0.577 4.436 1.00 2.21 C ATOM 280 C ALA A 43 -11.824 -0.561 4.134 1.00 15.12 C ATOM 281 O ALA A 43 -12.521 -1.555 4.342 1.00 20.42 O ATOM 282 CB ALA A 43 -10.087 -0.347 5.920 1.00 23.54 C ATOM 0 H ALA A 43 -9.141 1.134 4.200 1.00 25.34 H new ATOM 0 HA ALA A 43 -9.941 -1.558 4.163 1.00 2.21 H new ATOM 0 HB1 ALA A 43 -10.619 -1.103 6.497 1.00 23.54 H new ATOM 0 HB2 ALA A 43 -9.019 -0.416 6.129 1.00 23.54 H new ATOM 0 HB3 ALA A 43 -10.448 0.643 6.199 1.00 23.54 H new ATOM 288 N LEU A 44 -12.312 0.573 3.644 1.00 51.23 N ATOM 289 CA LEU A 44 -13.726 0.719 3.314 1.00 64.15 C ATOM 290 C LEU A 44 -14.142 -0.288 2.246 1.00 10.01 C ATOM 291 O LEU A 44 -15.322 -0.609 2.108 1.00 54.31 O ATOM 292 CB LEU A 44 -14.012 2.141 2.829 1.00 54.11 C ATOM 293 CG LEU A 44 -13.504 3.271 3.725 1.00 64.11 C ATOM 294 CD1 LEU A 44 -13.723 4.620 3.059 1.00 45.34 C ATOM 295 CD2 LEU A 44 -14.191 3.226 5.082 1.00 41.32 C ATOM 0 H LEU A 44 -11.750 1.405 3.466 1.00 51.23 H new ATOM 0 HA LEU A 44 -14.307 0.526 4.216 1.00 64.15 H new ATOM 0 HB2 LEU A 44 -13.570 2.262 1.840 1.00 54.11 H new ATOM 0 HB3 LEU A 44 -15.090 2.254 2.712 1.00 54.11 H new ATOM 0 HG LEU A 44 -12.433 3.134 3.878 1.00 64.11 H new ATOM 0 HD11 LEU A 44 -13.355 5.412 3.712 1.00 45.34 H new ATOM 0 HD12 LEU A 44 -13.184 4.650 2.112 1.00 45.34 H new ATOM 0 HD13 LEU A 44 -14.787 4.766 2.875 1.00 45.34 H new ATOM 0 HD21 LEU A 44 -13.817 4.037 5.706 1.00 41.32 H new ATOM 0 HD22 LEU A 44 -15.267 3.337 4.949 1.00 41.32 H new ATOM 0 HD23 LEU A 44 -13.982 2.271 5.564 1.00 41.32 H new ATOM 307 N SER A 45 -13.164 -0.785 1.495 1.00 54.42 N ATOM 308 CA SER A 45 -13.429 -1.754 0.438 1.00 34.25 C ATOM 309 C SER A 45 -12.893 -3.131 0.818 1.00 63.12 C ATOM 310 O SER A 45 -12.045 -3.274 1.699 1.00 0.01 O ATOM 311 CB SER A 45 -12.798 -1.293 -0.877 1.00 13.24 C ATOM 312 OG SER A 45 -13.787 -1.079 -1.869 1.00 64.54 O ATOM 0 H SER A 45 -12.181 -0.533 1.599 1.00 54.42 H new ATOM 0 HA SER A 45 -14.509 -1.826 0.308 1.00 34.25 H new ATOM 0 HB2 SER A 45 -12.238 -0.372 -0.712 1.00 13.24 H new ATOM 0 HB3 SER A 45 -12.086 -2.041 -1.224 1.00 13.24 H new ATOM 0 HG SER A 45 -13.359 -0.783 -2.699 1.00 64.54 H new ATOM 318 N PRO A 46 -13.398 -4.170 0.137 1.00 63.34 N ATOM 319 CA PRO A 46 -12.984 -5.555 0.383 1.00 10.23 C ATOM 320 C PRO A 46 -11.555 -5.823 -0.075 1.00 24.11 C ATOM 321 O PRO A 46 -11.295 -5.997 -1.266 1.00 72.12 O ATOM 322 CB PRO A 46 -13.975 -6.374 -0.447 1.00 64.44 C ATOM 323 CG PRO A 46 -14.416 -5.451 -1.530 1.00 63.32 C ATOM 324 CD PRO A 46 -14.411 -4.074 -0.927 1.00 52.34 C ATOM 0 HA PRO A 46 -12.992 -5.800 1.445 1.00 10.23 H new ATOM 0 HB2 PRO A 46 -13.505 -7.268 -0.856 1.00 64.44 H new ATOM 0 HB3 PRO A 46 -14.819 -6.706 0.158 1.00 64.44 H new ATOM 0 HG2 PRO A 46 -13.744 -5.505 -2.386 1.00 63.32 H new ATOM 0 HG3 PRO A 46 -15.411 -5.717 -1.888 1.00 63.32 H new ATOM 0 HD2 PRO A 46 -14.149 -3.314 -1.663 1.00 52.34 H new ATOM 0 HD3 PRO A 46 -15.389 -3.807 -0.527 1.00 52.34 H new ATOM 332 N THR A 47 -10.629 -5.856 0.878 1.00 24.14 N ATOM 333 CA THR A 47 -9.225 -6.103 0.573 1.00 51.44 C ATOM 334 C THR A 47 -8.393 -6.197 1.846 1.00 11.24 C ATOM 335 O THR A 47 -8.925 -6.118 2.954 1.00 23.14 O ATOM 336 CB THR A 47 -8.643 -4.995 -0.326 1.00 72.44 C ATOM 337 OG1 THR A 47 -7.354 -5.386 -0.812 1.00 40.21 O ATOM 338 CG2 THR A 47 -8.528 -3.684 0.436 1.00 22.11 C ATOM 0 H THR A 47 -10.826 -5.715 1.869 1.00 24.14 H new ATOM 0 HA THR A 47 -9.180 -7.054 0.042 1.00 51.44 H new ATOM 0 HB THR A 47 -9.319 -4.848 -1.168 1.00 72.44 H new ATOM 0 HG1 THR A 47 -6.991 -4.678 -1.384 1.00 40.21 H new ATOM 0 HG21 THR A 47 -8.115 -2.917 -0.219 1.00 22.11 H new ATOM 0 HG22 THR A 47 -9.515 -3.375 0.779 1.00 22.11 H new ATOM 0 HG23 THR A 47 -7.871 -3.819 1.295 1.00 22.11 H new ATOM 346 N HIS A 48 -7.085 -6.365 1.682 1.00 22.31 N ATOM 347 CA HIS A 48 -6.178 -6.469 2.820 1.00 14.12 C ATOM 348 C HIS A 48 -5.013 -5.495 2.677 1.00 63.02 C ATOM 349 O HIS A 48 -4.552 -5.221 1.568 1.00 14.23 O ATOM 350 CB HIS A 48 -5.651 -7.898 2.951 1.00 71.12 C ATOM 351 CG HIS A 48 -4.839 -8.126 4.188 1.00 21.13 C ATOM 352 ND1 HIS A 48 -3.684 -8.880 4.202 1.00 11.54 N ATOM 353 CD2 HIS A 48 -5.020 -7.693 5.458 1.00 24.40 C ATOM 354 CE1 HIS A 48 -3.191 -8.902 5.428 1.00 45.24 C ATOM 355 NE2 HIS A 48 -3.982 -8.189 6.209 1.00 71.23 N ATOM 0 H HIS A 48 -6.629 -6.432 0.772 1.00 22.31 H new ATOM 0 HA HIS A 48 -6.735 -6.212 3.721 1.00 14.12 H new ATOM 0 HB2 HIS A 48 -6.494 -8.589 2.947 1.00 71.12 H new ATOM 0 HB3 HIS A 48 -5.042 -8.133 2.078 1.00 71.12 H new ATOM 0 HD2 HIS A 48 -5.830 -7.073 5.814 1.00 24.40 H new ATOM 0 HE1 HIS A 48 -2.293 -9.416 5.739 1.00 45.24 H new ATOM 0 HE2 HIS A 48 -3.845 -8.032 7.207 1.00 71.23 H new ATOM 363 N PHE A 49 -4.540 -4.975 3.805 1.00 72.03 N ATOM 364 CA PHE A 49 -3.429 -4.030 3.805 1.00 74.25 C ATOM 365 C PHE A 49 -2.419 -4.378 4.894 1.00 34.02 C ATOM 366 O PHE A 49 -2.766 -4.469 6.072 1.00 21.32 O ATOM 367 CB PHE A 49 -3.945 -2.604 4.008 1.00 71.12 C ATOM 368 CG PHE A 49 -5.002 -2.494 5.069 1.00 73.50 C ATOM 369 CD1 PHE A 49 -4.653 -2.303 6.396 1.00 32.22 C ATOM 370 CD2 PHE A 49 -6.345 -2.582 4.739 1.00 32.14 C ATOM 371 CE1 PHE A 49 -5.624 -2.203 7.375 1.00 52.14 C ATOM 372 CE2 PHE A 49 -7.321 -2.482 5.713 1.00 3.05 C ATOM 373 CZ PHE A 49 -6.960 -2.291 7.033 1.00 65.13 C ATOM 0 H PHE A 49 -4.909 -5.192 4.731 1.00 72.03 H new ATOM 0 HA PHE A 49 -2.930 -4.094 2.838 1.00 74.25 H new ATOM 0 HB2 PHE A 49 -3.108 -1.958 4.272 1.00 71.12 H new ATOM 0 HB3 PHE A 49 -4.348 -2.234 3.065 1.00 71.12 H new ATOM 0 HD1 PHE A 49 -3.610 -2.231 6.669 1.00 32.22 H new ATOM 0 HD2 PHE A 49 -6.633 -2.730 3.709 1.00 32.14 H new ATOM 0 HE1 PHE A 49 -5.339 -2.056 8.406 1.00 52.14 H new ATOM 0 HE2 PHE A 49 -8.364 -2.553 5.443 1.00 3.05 H new ATOM 0 HZ PHE A 49 -7.720 -2.211 7.796 1.00 65.13 H new ATOM 383 N LYS A 50 -1.168 -4.572 4.492 1.00 1.14 N ATOM 384 CA LYS A 50 -0.106 -4.909 5.432 1.00 25.23 C ATOM 385 C LYS A 50 1.002 -3.860 5.401 1.00 33.42 C ATOM 386 O LYS A 50 1.701 -3.711 4.399 1.00 64.25 O ATOM 387 CB LYS A 50 0.474 -6.288 5.106 1.00 12.40 C ATOM 388 CG LYS A 50 1.629 -6.690 6.006 1.00 20.41 C ATOM 389 CD LYS A 50 2.796 -7.239 5.203 1.00 24.21 C ATOM 390 CE LYS A 50 3.586 -8.267 5.999 1.00 4.30 C ATOM 391 NZ LYS A 50 4.607 -8.953 5.160 1.00 71.44 N ATOM 0 H LYS A 50 -0.864 -4.502 3.521 1.00 1.14 H new ATOM 0 HA LYS A 50 -0.535 -4.929 6.434 1.00 25.23 H new ATOM 0 HB2 LYS A 50 -0.316 -7.034 5.188 1.00 12.40 H new ATOM 0 HB3 LYS A 50 0.812 -6.295 4.070 1.00 12.40 H new ATOM 0 HG2 LYS A 50 1.958 -5.827 6.585 1.00 20.41 H new ATOM 0 HG3 LYS A 50 1.291 -7.442 6.719 1.00 20.41 H new ATOM 0 HD2 LYS A 50 2.425 -7.695 4.285 1.00 24.21 H new ATOM 0 HD3 LYS A 50 3.454 -6.421 4.909 1.00 24.21 H new ATOM 0 HE2 LYS A 50 4.077 -7.776 6.840 1.00 4.30 H new ATOM 0 HE3 LYS A 50 2.903 -9.006 6.416 1.00 4.30 H new ATOM 0 HZ1 LYS A 50 5.124 -9.645 5.739 1.00 71.44 H new ATOM 0 HZ2 LYS A 50 4.137 -9.443 4.372 1.00 71.44 H new ATOM 0 HZ3 LYS A 50 5.275 -8.251 4.782 1.00 71.44 H new ATOM 405 N LEU A 51 1.156 -3.137 6.505 1.00 63.23 N ATOM 406 CA LEU A 51 2.180 -2.103 6.604 1.00 2.14 C ATOM 407 C LEU A 51 3.045 -2.310 7.844 1.00 70.43 C ATOM 408 O LEU A 51 2.533 -2.432 8.957 1.00 55.52 O ATOM 409 CB LEU A 51 1.532 -0.718 6.647 1.00 72.10 C ATOM 410 CG LEU A 51 2.453 0.464 6.344 1.00 61.02 C ATOM 411 CD1 LEU A 51 1.698 1.550 5.593 1.00 4.24 C ATOM 412 CD2 LEU A 51 3.051 1.018 7.629 1.00 34.21 C ATOM 0 H LEU A 51 0.585 -3.248 7.343 1.00 63.23 H new ATOM 0 HA LEU A 51 2.817 -2.172 5.723 1.00 2.14 H new ATOM 0 HB2 LEU A 51 0.708 -0.702 5.934 1.00 72.10 H new ATOM 0 HB3 LEU A 51 1.100 -0.572 7.637 1.00 72.10 H new ATOM 0 HG LEU A 51 3.267 0.112 5.711 1.00 61.02 H new ATOM 0 HD11 LEU A 51 2.370 2.383 5.386 1.00 4.24 H new ATOM 0 HD12 LEU A 51 1.320 1.147 4.654 1.00 4.24 H new ATOM 0 HD13 LEU A 51 0.863 1.899 6.200 1.00 4.24 H new ATOM 0 HD21 LEU A 51 3.704 1.859 7.394 1.00 34.21 H new ATOM 0 HD22 LEU A 51 2.250 1.354 8.288 1.00 34.21 H new ATOM 0 HD23 LEU A 51 3.628 0.239 8.127 1.00 34.21 H new ATOM 424 N ILE A 52 4.358 -2.348 7.643 1.00 31.21 N ATOM 425 CA ILE A 52 5.293 -2.537 8.745 1.00 64.43 C ATOM 426 C ILE A 52 6.339 -1.428 8.775 1.00 51.32 C ATOM 427 O ILE A 52 7.149 -1.300 7.858 1.00 2.31 O ATOM 428 CB ILE A 52 6.008 -3.898 8.649 1.00 20.31 C ATOM 429 CG1 ILE A 52 6.638 -4.072 7.266 1.00 51.05 C ATOM 430 CG2 ILE A 52 5.033 -5.030 8.939 1.00 4.12 C ATOM 431 CD1 ILE A 52 8.122 -4.360 7.309 1.00 22.02 C ATOM 0 H ILE A 52 4.798 -2.250 6.728 1.00 31.21 H new ATOM 0 HA ILE A 52 4.708 -2.506 9.664 1.00 64.43 H new ATOM 0 HB ILE A 52 6.802 -3.928 9.395 1.00 20.31 H new ATOM 0 HG12 ILE A 52 6.133 -4.886 6.746 1.00 51.05 H new ATOM 0 HG13 ILE A 52 6.469 -3.167 6.682 1.00 51.05 H new ATOM 0 HG21 ILE A 52 5.553 -5.985 8.867 1.00 4.12 H new ATOM 0 HG22 ILE A 52 4.627 -4.912 9.944 1.00 4.12 H new ATOM 0 HG23 ILE A 52 4.220 -5.004 8.214 1.00 4.12 H new ATOM 0 HD11 ILE A 52 8.501 -4.471 6.293 1.00 22.02 H new ATOM 0 HD12 ILE A 52 8.639 -3.535 7.800 1.00 22.02 H new ATOM 0 HD13 ILE A 52 8.298 -5.281 7.865 1.00 22.02 H new ATOM 443 N ASN A 53 6.315 -0.629 9.836 1.00 3.55 N ATOM 444 CA ASN A 53 7.262 0.470 9.987 1.00 4.22 C ATOM 445 C ASN A 53 8.267 0.174 11.097 1.00 15.52 C ATOM 446 O ASN A 53 7.888 -0.058 12.245 1.00 13.23 O ATOM 447 CB ASN A 53 6.520 1.773 10.290 1.00 52.31 C ATOM 448 CG ASN A 53 7.334 2.715 11.155 1.00 3.42 C ATOM 449 OD1 ASN A 53 7.446 2.524 12.366 1.00 30.31 O ATOM 450 ND2 ASN A 53 7.908 3.740 10.536 1.00 50.43 N ATOM 0 H ASN A 53 5.650 -0.722 10.604 1.00 3.55 H new ATOM 0 HA ASN A 53 7.805 0.579 9.048 1.00 4.22 H new ATOM 0 HB2 ASN A 53 6.268 2.271 9.353 1.00 52.31 H new ATOM 0 HB3 ASN A 53 5.580 1.544 10.792 1.00 52.31 H new ATOM 0 HD21 ASN A 53 8.468 4.407 11.066 1.00 50.43 H new ATOM 0 HD22 ASN A 53 7.789 3.860 9.530 1.00 50.43 H new ATOM 457 N ASP A 54 9.548 0.185 10.746 1.00 13.55 N ATOM 458 CA ASP A 54 10.607 -0.080 11.713 1.00 43.32 C ATOM 459 C ASP A 54 11.488 1.151 11.905 1.00 70.10 C ATOM 460 O ASP A 54 12.715 1.054 11.906 1.00 41.33 O ATOM 461 CB ASP A 54 11.459 -1.265 11.256 1.00 73.24 C ATOM 462 CG ASP A 54 11.792 -2.211 12.392 1.00 33.44 C ATOM 463 OD1 ASP A 54 12.816 -1.987 13.070 1.00 42.12 O ATOM 464 OD2 ASP A 54 11.028 -3.177 12.604 1.00 22.01 O ATOM 0 H ASP A 54 9.878 0.374 9.800 1.00 13.55 H new ATOM 0 HA ASP A 54 10.141 -0.324 12.668 1.00 43.32 H new ATOM 0 HB2 ASP A 54 10.928 -1.811 10.476 1.00 73.24 H new ATOM 0 HB3 ASP A 54 12.383 -0.895 10.813 1.00 73.24 H new ATOM 469 N SER A 55 10.853 2.307 12.067 1.00 50.44 N ATOM 470 CA SER A 55 11.579 3.558 12.255 1.00 53.23 C ATOM 471 C SER A 55 12.708 3.384 13.266 1.00 51.32 C ATOM 472 O SER A 55 12.687 2.466 14.086 1.00 74.11 O ATOM 473 CB SER A 55 10.626 4.660 12.722 1.00 53.01 C ATOM 474 OG SER A 55 11.336 5.727 13.326 1.00 25.42 O ATOM 0 H SER A 55 9.838 2.404 12.072 1.00 50.44 H new ATOM 0 HA SER A 55 12.013 3.845 11.297 1.00 53.23 H new ATOM 0 HB2 SER A 55 10.054 5.034 11.873 1.00 53.01 H new ATOM 0 HB3 SER A 55 9.909 4.248 13.432 1.00 53.01 H new ATOM 0 HG SER A 55 10.704 6.419 13.614 1.00 25.42 H new ATOM 734 N THR A 75 15.980 -0.012 3.957 1.00 43.41 N ATOM 735 CA THR A 75 14.529 0.125 3.973 1.00 64.30 C ATOM 736 C THR A 75 13.922 -0.607 5.164 1.00 74.20 C ATOM 737 O THR A 75 14.138 -1.806 5.345 1.00 4.25 O ATOM 738 CB THR A 75 13.900 -0.417 2.676 1.00 71.41 C ATOM 739 OG1 THR A 75 13.607 -1.812 2.819 1.00 1.20 O ATOM 740 CG2 THR A 75 14.833 -0.209 1.493 1.00 43.20 C ATOM 0 HA THR A 75 14.312 1.190 4.055 1.00 64.30 H new ATOM 0 HB THR A 75 12.976 0.131 2.490 1.00 71.41 H new ATOM 0 HG1 THR A 75 14.196 -2.202 3.498 1.00 1.20 H new ATOM 0 HG21 THR A 75 14.367 -0.600 0.589 1.00 43.20 H new ATOM 0 HG22 THR A 75 15.031 0.856 1.368 1.00 43.20 H new ATOM 0 HG23 THR A 75 15.771 -0.734 1.673 1.00 43.20 H new ATOM 748 N HIS A 76 13.159 0.121 5.974 1.00 72.44 N ATOM 749 CA HIS A 76 12.518 -0.461 7.148 1.00 52.13 C ATOM 750 C HIS A 76 11.002 -0.308 7.071 1.00 53.21 C ATOM 751 O HIS A 76 10.269 -0.863 7.890 1.00 2.43 O ATOM 752 CB HIS A 76 13.045 0.199 8.422 1.00 11.31 C ATOM 753 CG HIS A 76 14.268 -0.463 8.978 1.00 34.22 C ATOM 754 ND1 HIS A 76 14.940 -1.473 8.323 1.00 21.23 N ATOM 755 CD2 HIS A 76 14.940 -0.253 10.134 1.00 32.52 C ATOM 756 CE1 HIS A 76 15.972 -1.857 9.053 1.00 20.41 C ATOM 757 NE2 HIS A 76 15.995 -1.132 10.157 1.00 34.40 N ATOM 0 H HIS A 76 12.970 1.114 5.839 1.00 72.44 H new ATOM 0 HA HIS A 76 12.757 -1.524 7.173 1.00 52.13 H new ATOM 0 HB2 HIS A 76 13.271 1.245 8.213 1.00 11.31 H new ATOM 0 HB3 HIS A 76 12.260 0.188 9.178 1.00 11.31 H new ATOM 0 HD1 HIS A 76 14.681 -1.863 7.417 1.00 21.23 H new ATOM 0 HD2 HIS A 76 14.693 0.471 10.896 1.00 32.52 H new ATOM 0 HE1 HIS A 76 16.677 -2.632 8.792 1.00 20.41 H new ATOM 765 N PHE A 77 10.538 0.449 6.082 1.00 73.11 N ATOM 766 CA PHE A 77 9.109 0.677 5.899 1.00 31.52 C ATOM 767 C PHE A 77 8.612 0.012 4.619 1.00 35.51 C ATOM 768 O PHE A 77 9.243 0.114 3.568 1.00 44.45 O ATOM 769 CB PHE A 77 8.811 2.177 5.857 1.00 63.23 C ATOM 770 CG PHE A 77 7.345 2.496 5.802 1.00 74.42 C ATOM 771 CD1 PHE A 77 6.625 2.311 4.632 1.00 64.11 C ATOM 772 CD2 PHE A 77 6.685 2.979 6.920 1.00 51.50 C ATOM 773 CE1 PHE A 77 5.276 2.604 4.579 1.00 51.35 C ATOM 774 CE2 PHE A 77 5.335 3.274 6.873 1.00 43.33 C ATOM 775 CZ PHE A 77 4.630 3.085 5.701 1.00 52.44 C ATOM 0 H PHE A 77 11.131 0.915 5.395 1.00 73.11 H new ATOM 0 HA PHE A 77 8.585 0.234 6.745 1.00 31.52 H new ATOM 0 HB2 PHE A 77 9.245 2.650 6.738 1.00 63.23 H new ATOM 0 HB3 PHE A 77 9.302 2.613 4.987 1.00 63.23 H new ATOM 0 HD1 PHE A 77 7.124 1.934 3.752 1.00 64.11 H new ATOM 0 HD2 PHE A 77 7.232 3.127 7.840 1.00 51.50 H new ATOM 0 HE1 PHE A 77 4.727 2.457 3.661 1.00 51.35 H new ATOM 0 HE2 PHE A 77 4.833 3.652 7.751 1.00 43.33 H new ATOM 0 HZ PHE A 77 3.575 3.313 5.662 1.00 52.44 H new ATOM 785 N ARG A 78 7.475 -0.671 4.717 1.00 64.00 N ATOM 786 CA ARG A 78 6.893 -1.355 3.568 1.00 5.33 C ATOM 787 C ARG A 78 5.371 -1.383 3.666 1.00 10.04 C ATOM 788 O ARG A 78 4.811 -1.639 4.734 1.00 45.35 O ATOM 789 CB ARG A 78 7.435 -2.782 3.469 1.00 4.10 C ATOM 790 CG ARG A 78 6.422 -3.847 3.855 1.00 14.52 C ATOM 791 CD ARG A 78 7.068 -5.219 3.960 1.00 32.03 C ATOM 792 NE ARG A 78 7.110 -5.904 2.671 1.00 34.43 N ATOM 793 CZ ARG A 78 7.637 -7.111 2.497 1.00 22.14 C ATOM 794 NH1 ARG A 78 8.164 -7.762 3.525 1.00 24.10 N ATOM 795 NH2 ARG A 78 7.638 -7.669 1.294 1.00 73.05 N ATOM 0 H ARG A 78 6.939 -0.765 5.580 1.00 64.00 H new ATOM 0 HA ARG A 78 7.172 -0.805 2.669 1.00 5.33 H new ATOM 0 HB2 ARG A 78 7.770 -2.964 2.448 1.00 4.10 H new ATOM 0 HB3 ARG A 78 8.310 -2.875 4.113 1.00 4.10 H new ATOM 0 HG2 ARG A 78 5.964 -3.586 4.809 1.00 14.52 H new ATOM 0 HG3 ARG A 78 5.623 -3.876 3.114 1.00 14.52 H new ATOM 0 HD2 ARG A 78 8.081 -5.114 4.348 1.00 32.03 H new ATOM 0 HD3 ARG A 78 6.514 -5.827 4.676 1.00 32.03 H new ATOM 0 HE ARG A 78 6.713 -5.430 1.860 1.00 34.43 H new ATOM 0 HH11 ARG A 78 8.165 -7.336 4.452 1.00 24.10 H new ATOM 0 HH12 ARG A 78 8.568 -8.689 3.389 1.00 24.10 H new ATOM 0 HH21 ARG A 78 7.234 -7.171 0.501 1.00 73.05 H new ATOM 0 HH22 ARG A 78 8.043 -8.596 1.162 1.00 73.05 H new ATOM 809 N LEU A 79 4.706 -1.118 2.547 1.00 24.21 N ATOM 810 CA LEU A 79 3.248 -1.113 2.506 1.00 1.42 C ATOM 811 C LEU A 79 2.735 -1.857 1.278 1.00 51.13 C ATOM 812 O LEU A 79 3.059 -1.502 0.145 1.00 3.42 O ATOM 813 CB LEU A 79 2.724 0.324 2.502 1.00 11.40 C ATOM 814 CG LEU A 79 1.206 0.485 2.410 1.00 60.12 C ATOM 815 CD1 LEU A 79 0.753 0.452 0.958 1.00 20.14 C ATOM 816 CD2 LEU A 79 0.505 -0.600 3.214 1.00 62.40 C ATOM 0 H LEU A 79 5.153 -0.904 1.656 1.00 24.21 H new ATOM 0 HA LEU A 79 2.882 -1.624 3.396 1.00 1.42 H new ATOM 0 HB2 LEU A 79 3.067 0.817 3.412 1.00 11.40 H new ATOM 0 HB3 LEU A 79 3.177 0.852 1.663 1.00 11.40 H new ATOM 0 HG LEU A 79 0.936 1.453 2.832 1.00 60.12 H new ATOM 0 HD11 LEU A 79 -0.330 0.568 0.912 1.00 20.14 H new ATOM 0 HD12 LEU A 79 1.229 1.265 0.410 1.00 20.14 H new ATOM 0 HD13 LEU A 79 1.035 -0.501 0.510 1.00 20.14 H new ATOM 0 HD21 LEU A 79 -0.574 -0.470 3.137 1.00 62.40 H new ATOM 0 HD22 LEU A 79 0.781 -1.579 2.822 1.00 62.40 H new ATOM 0 HD23 LEU A 79 0.805 -0.530 4.259 1.00 62.40 H new ATOM 828 N GLU A 80 1.931 -2.890 1.511 1.00 52.53 N ATOM 829 CA GLU A 80 1.372 -3.682 0.422 1.00 72.40 C ATOM 830 C GLU A 80 -0.086 -4.036 0.700 1.00 74.14 C ATOM 831 O GLU A 80 -0.464 -4.311 1.839 1.00 54.24 O ATOM 832 CB GLU A 80 2.189 -4.960 0.221 1.00 73.44 C ATOM 833 CG GLU A 80 3.621 -4.705 -0.216 1.00 42.34 C ATOM 834 CD GLU A 80 4.413 -5.985 -0.399 1.00 71.01 C ATOM 835 OE1 GLU A 80 3.823 -6.989 -0.850 1.00 51.21 O ATOM 836 OE2 GLU A 80 5.623 -5.982 -0.091 1.00 22.51 O ATOM 0 H GLU A 80 1.653 -3.197 2.443 1.00 52.53 H new ATOM 0 HA GLU A 80 1.416 -3.084 -0.488 1.00 72.40 H new ATOM 0 HB2 GLU A 80 2.198 -5.526 1.153 1.00 73.44 H new ATOM 0 HB3 GLU A 80 1.696 -5.583 -0.525 1.00 73.44 H new ATOM 0 HG2 GLU A 80 3.617 -4.148 -1.153 1.00 42.34 H new ATOM 0 HG3 GLU A 80 4.117 -4.078 0.525 1.00 42.34 H new ATOM 843 N VAL A 81 -0.902 -4.027 -0.350 1.00 42.32 N ATOM 844 CA VAL A 81 -2.318 -4.347 -0.221 1.00 53.30 C ATOM 845 C VAL A 81 -2.715 -5.475 -1.167 1.00 14.34 C ATOM 846 O VAL A 81 -2.290 -5.511 -2.322 1.00 11.02 O ATOM 847 CB VAL A 81 -3.200 -3.117 -0.508 1.00 10.21 C ATOM 848 CG1 VAL A 81 -2.654 -1.890 0.206 1.00 1.12 C ATOM 849 CG2 VAL A 81 -3.300 -2.871 -2.006 1.00 34.52 C ATOM 0 H VAL A 81 -0.606 -3.801 -1.300 1.00 42.32 H new ATOM 0 HA VAL A 81 -2.477 -4.667 0.809 1.00 53.30 H new ATOM 0 HB VAL A 81 -4.202 -3.314 -0.127 1.00 10.21 H new ATOM 0 HG11 VAL A 81 -3.290 -1.031 -0.009 1.00 1.12 H new ATOM 0 HG12 VAL A 81 -2.639 -2.071 1.281 1.00 1.12 H new ATOM 0 HG13 VAL A 81 -1.641 -1.687 -0.142 1.00 1.12 H new ATOM 0 HG21 VAL A 81 -3.927 -1.998 -2.190 1.00 34.52 H new ATOM 0 HG22 VAL A 81 -2.304 -2.695 -2.413 1.00 34.52 H new ATOM 0 HG23 VAL A 81 -3.741 -3.743 -2.489 1.00 34.52 H new ATOM 859 N THR A 82 -3.535 -6.396 -0.669 1.00 42.11 N ATOM 860 CA THR A 82 -3.990 -7.526 -1.469 1.00 24.32 C ATOM 861 C THR A 82 -5.509 -7.534 -1.596 1.00 44.24 C ATOM 862 O THR A 82 -6.223 -7.707 -0.609 1.00 71.12 O ATOM 863 CB THR A 82 -3.530 -8.865 -0.861 1.00 72.22 C ATOM 864 OG1 THR A 82 -2.126 -8.821 -0.584 1.00 70.31 O ATOM 865 CG2 THR A 82 -3.830 -10.019 -1.806 1.00 20.31 C ATOM 0 H THR A 82 -3.897 -6.381 0.284 1.00 42.11 H new ATOM 0 HA THR A 82 -3.546 -7.412 -2.458 1.00 24.32 H new ATOM 0 HB THR A 82 -4.078 -9.025 0.068 1.00 72.22 H new ATOM 0 HG1 THR A 82 -1.842 -9.675 -0.196 1.00 70.31 H new ATOM 0 HG21 THR A 82 -3.497 -10.954 -1.356 1.00 20.31 H new ATOM 0 HG22 THR A 82 -4.903 -10.068 -1.991 1.00 20.31 H new ATOM 0 HG23 THR A 82 -3.306 -9.863 -2.749 1.00 20.31 H new ATOM 873 N SER A 83 -5.996 -7.345 -2.819 1.00 31.35 N ATOM 874 CA SER A 83 -7.432 -7.327 -3.075 1.00 25.45 C ATOM 875 C SER A 83 -7.843 -8.511 -3.944 1.00 70.34 C ATOM 876 O SER A 83 -7.594 -8.526 -5.150 1.00 23.30 O ATOM 877 CB SER A 83 -7.833 -6.017 -3.754 1.00 15.22 C ATOM 878 OG SER A 83 -6.720 -5.151 -3.892 1.00 22.42 O ATOM 0 H SER A 83 -5.418 -7.202 -3.647 1.00 31.35 H new ATOM 0 HA SER A 83 -7.949 -7.405 -2.118 1.00 25.45 H new ATOM 0 HB2 SER A 83 -8.257 -6.228 -4.736 1.00 15.22 H new ATOM 0 HB3 SER A 83 -8.610 -5.524 -3.170 1.00 15.22 H new ATOM 0 HG SER A 83 -7.024 -4.220 -3.864 1.00 22.42 H new ATOM 884 N ASP A 84 -8.475 -9.502 -3.324 1.00 5.30 N ATOM 885 CA ASP A 84 -8.922 -10.690 -4.040 1.00 74.43 C ATOM 886 C ASP A 84 -7.734 -11.544 -4.472 1.00 74.33 C ATOM 887 O ASP A 84 -7.896 -12.534 -5.185 1.00 63.32 O ATOM 888 CB ASP A 84 -9.752 -10.293 -5.262 1.00 70.23 C ATOM 889 CG ASP A 84 -10.641 -9.094 -4.994 1.00 64.51 C ATOM 890 OD1 ASP A 84 -11.698 -9.272 -4.354 1.00 2.42 O ATOM 891 OD2 ASP A 84 -10.279 -7.979 -5.425 1.00 72.32 O ATOM 0 H ASP A 84 -8.689 -9.505 -2.327 1.00 5.30 H new ATOM 0 HA ASP A 84 -9.543 -11.279 -3.365 1.00 74.43 H new ATOM 0 HB2 ASP A 84 -9.084 -10.068 -6.093 1.00 70.23 H new ATOM 0 HB3 ASP A 84 -10.369 -11.138 -5.568 1.00 70.23 H new ATOM 896 N ALA A 85 -6.541 -11.153 -4.036 1.00 74.32 N ATOM 897 CA ALA A 85 -5.327 -11.883 -4.377 1.00 24.21 C ATOM 898 C ALA A 85 -5.269 -12.186 -5.870 1.00 44.14 C ATOM 899 O ALA A 85 -5.660 -13.267 -6.311 1.00 12.14 O ATOM 900 CB ALA A 85 -5.242 -13.171 -3.572 1.00 25.33 C ATOM 0 H ALA A 85 -6.390 -10.335 -3.446 1.00 74.32 H new ATOM 0 HA ALA A 85 -4.473 -11.254 -4.127 1.00 24.21 H new ATOM 0 HB1 ALA A 85 -4.330 -13.706 -3.837 1.00 25.33 H new ATOM 0 HB2 ALA A 85 -5.228 -12.935 -2.508 1.00 25.33 H new ATOM 0 HB3 ALA A 85 -6.107 -13.796 -3.793 1.00 25.33 H new ATOM 906 N PHE A 86 -4.778 -11.224 -6.646 1.00 35.33 N ATOM 907 CA PHE A 86 -4.671 -11.388 -8.091 1.00 0.42 C ATOM 908 C PHE A 86 -4.149 -10.112 -8.745 1.00 53.30 C ATOM 909 O PHE A 86 -4.925 -9.277 -9.212 1.00 31.14 O ATOM 910 CB PHE A 86 -6.031 -11.760 -8.686 1.00 25.23 C ATOM 911 CG PHE A 86 -6.103 -13.179 -9.172 1.00 74.42 C ATOM 912 CD1 PHE A 86 -5.171 -13.665 -10.074 1.00 65.30 C ATOM 913 CD2 PHE A 86 -7.105 -14.027 -8.728 1.00 72.30 C ATOM 914 CE1 PHE A 86 -5.234 -14.971 -10.523 1.00 54.15 C ATOM 915 CE2 PHE A 86 -7.174 -15.334 -9.174 1.00 2.25 C ATOM 916 CZ PHE A 86 -6.238 -15.806 -10.073 1.00 52.23 C ATOM 0 H PHE A 86 -4.448 -10.324 -6.298 1.00 35.33 H new ATOM 0 HA PHE A 86 -3.964 -12.193 -8.289 1.00 0.42 H new ATOM 0 HB2 PHE A 86 -6.804 -11.602 -7.933 1.00 25.23 H new ATOM 0 HB3 PHE A 86 -6.252 -11.088 -9.516 1.00 25.23 H new ATOM 0 HD1 PHE A 86 -4.385 -13.016 -10.431 1.00 65.30 H new ATOM 0 HD2 PHE A 86 -7.840 -13.663 -8.026 1.00 72.30 H new ATOM 0 HE1 PHE A 86 -4.499 -15.338 -11.225 1.00 54.15 H new ATOM 0 HE2 PHE A 86 -7.959 -15.985 -8.820 1.00 2.25 H new ATOM 0 HZ PHE A 86 -6.291 -16.826 -10.424 1.00 52.23 H new ATOM 926 N LYS A 87 -2.829 -9.967 -8.775 1.00 41.41 N ATOM 927 CA LYS A 87 -2.201 -8.794 -9.372 1.00 41.10 C ATOM 928 C LYS A 87 -2.400 -8.781 -10.884 1.00 42.43 C ATOM 929 O LYS A 87 -2.083 -9.751 -11.570 1.00 62.33 O ATOM 930 CB LYS A 87 -0.706 -8.767 -9.043 1.00 75.33 C ATOM 931 CG LYS A 87 0.116 -7.941 -10.017 1.00 71.43 C ATOM 932 CD LYS A 87 0.672 -8.797 -11.143 1.00 72.21 C ATOM 933 CE LYS A 87 2.169 -9.018 -10.988 1.00 74.41 C ATOM 934 NZ LYS A 87 2.552 -10.431 -11.264 1.00 41.42 N ATOM 0 H LYS A 87 -2.173 -10.648 -8.393 1.00 41.41 H new ATOM 0 HA LYS A 87 -2.675 -7.906 -8.953 1.00 41.10 H new ATOM 0 HB2 LYS A 87 -0.571 -8.369 -8.037 1.00 75.33 H new ATOM 0 HB3 LYS A 87 -0.326 -9.788 -9.035 1.00 75.33 H new ATOM 0 HG2 LYS A 87 -0.503 -7.146 -10.434 1.00 71.43 H new ATOM 0 HG3 LYS A 87 0.937 -7.460 -9.485 1.00 71.43 H new ATOM 0 HD2 LYS A 87 0.161 -9.759 -11.156 1.00 72.21 H new ATOM 0 HD3 LYS A 87 0.471 -8.316 -12.100 1.00 72.21 H new ATOM 0 HE2 LYS A 87 2.706 -8.357 -11.668 1.00 74.41 H new ATOM 0 HE3 LYS A 87 2.473 -8.750 -9.976 1.00 74.41 H new ATOM 0 HZ1 LYS A 87 3.580 -10.541 -11.148 1.00 41.42 H new ATOM 0 HZ2 LYS A 87 2.059 -11.061 -10.599 1.00 41.42 H new ATOM 0 HZ3 LYS A 87 2.285 -10.679 -12.238 1.00 41.42 H new ATOM 948 N GLY A 88 -2.926 -7.673 -11.398 1.00 1.31 N ATOM 949 CA GLY A 88 -3.156 -7.554 -12.826 1.00 14.22 C ATOM 950 C GLY A 88 -3.183 -6.111 -13.291 1.00 22.33 C ATOM 951 O GLY A 88 -2.674 -5.788 -14.365 1.00 10.11 O ATOM 0 H GLY A 88 -3.197 -6.856 -10.851 1.00 1.31 H new ATOM 0 HA2 GLY A 88 -2.374 -8.091 -13.363 1.00 14.22 H new ATOM 0 HA3 GLY A 88 -4.102 -8.032 -13.080 1.00 14.22 H new ATOM 955 N LEU A 89 -3.778 -5.242 -12.482 1.00 54.32 N ATOM 956 CA LEU A 89 -3.871 -3.825 -12.817 1.00 40.12 C ATOM 957 C LEU A 89 -2.683 -3.053 -12.251 1.00 54.23 C ATOM 958 O LEU A 89 -2.021 -3.507 -11.318 1.00 65.31 O ATOM 959 CB LEU A 89 -5.178 -3.238 -12.281 1.00 22.14 C ATOM 960 CG LEU A 89 -6.365 -3.253 -13.244 1.00 14.33 C ATOM 961 CD1 LEU A 89 -7.676 -3.289 -12.474 1.00 34.41 C ATOM 962 CD2 LEU A 89 -6.320 -2.043 -14.165 1.00 44.42 C ATOM 0 H LEU A 89 -4.203 -5.493 -11.590 1.00 54.32 H new ATOM 0 HA LEU A 89 -3.857 -3.732 -13.903 1.00 40.12 H new ATOM 0 HB2 LEU A 89 -5.458 -3.787 -11.382 1.00 22.14 H new ATOM 0 HB3 LEU A 89 -4.993 -2.207 -11.980 1.00 22.14 H new ATOM 0 HG LEU A 89 -6.301 -4.153 -13.855 1.00 14.33 H new ATOM 0 HD11 LEU A 89 -8.510 -3.299 -13.176 1.00 34.41 H new ATOM 0 HD12 LEU A 89 -7.711 -4.186 -11.856 1.00 34.41 H new ATOM 0 HD13 LEU A 89 -7.748 -2.407 -11.837 1.00 34.41 H new ATOM 0 HD21 LEU A 89 -7.173 -2.070 -14.844 1.00 44.42 H new ATOM 0 HD22 LEU A 89 -6.359 -1.131 -13.570 1.00 44.42 H new ATOM 0 HD23 LEU A 89 -5.396 -2.060 -14.743 1.00 44.42 H new ATOM 974 N THR A 90 -2.420 -1.881 -12.821 1.00 14.42 N ATOM 975 CA THR A 90 -1.314 -1.044 -12.373 1.00 20.50 C ATOM 976 C THR A 90 -1.340 -0.862 -10.860 1.00 23.53 C ATOM 977 O THR A 90 -2.166 -0.120 -10.327 1.00 72.43 O ATOM 978 CB THR A 90 -1.348 0.341 -13.046 1.00 35.31 C ATOM 979 OG1 THR A 90 -2.500 1.070 -12.607 1.00 72.23 O ATOM 980 CG2 THR A 90 -1.374 0.206 -14.561 1.00 21.11 C ATOM 0 H THR A 90 -2.958 -1.490 -13.594 1.00 14.42 H new ATOM 0 HA THR A 90 -0.395 -1.556 -12.659 1.00 20.50 H new ATOM 0 HB THR A 90 -0.446 0.882 -12.761 1.00 35.31 H new ATOM 0 HG1 THR A 90 -2.705 0.830 -11.679 1.00 72.23 H new ATOM 0 HG21 THR A 90 -1.398 1.197 -15.014 1.00 21.11 H new ATOM 0 HG22 THR A 90 -0.482 -0.324 -14.894 1.00 21.11 H new ATOM 0 HG23 THR A 90 -2.261 -0.352 -14.861 1.00 21.11 H new ATOM 988 N LEU A 91 -0.430 -1.543 -10.171 1.00 71.12 N ATOM 989 CA LEU A 91 -0.348 -1.456 -8.717 1.00 41.23 C ATOM 990 C LEU A 91 -0.235 -0.004 -8.265 1.00 11.45 C ATOM 991 O LEU A 91 -0.677 0.353 -7.172 1.00 44.32 O ATOM 992 CB LEU A 91 0.851 -2.256 -8.206 1.00 22.03 C ATOM 993 CG LEU A 91 2.228 -1.650 -8.478 1.00 3.43 C ATOM 994 CD1 LEU A 91 3.266 -2.236 -7.533 1.00 12.00 C ATOM 995 CD2 LEU A 91 2.634 -1.877 -9.926 1.00 65.15 C ATOM 0 H LEU A 91 0.261 -2.161 -10.596 1.00 71.12 H new ATOM 0 HA LEU A 91 -1.263 -1.877 -8.300 1.00 41.23 H new ATOM 0 HB2 LEU A 91 0.741 -2.389 -7.130 1.00 22.03 H new ATOM 0 HB3 LEU A 91 0.818 -3.249 -8.655 1.00 22.03 H new ATOM 0 HG LEU A 91 2.172 -0.576 -8.302 1.00 3.43 H new ATOM 0 HD11 LEU A 91 4.240 -1.793 -7.742 1.00 12.00 H new ATOM 0 HD12 LEU A 91 2.983 -2.021 -6.503 1.00 12.00 H new ATOM 0 HD13 LEU A 91 3.321 -3.315 -7.676 1.00 12.00 H new ATOM 0 HD21 LEU A 91 3.617 -1.439 -10.101 1.00 65.15 H new ATOM 0 HD22 LEU A 91 2.672 -2.947 -10.130 1.00 65.15 H new ATOM 0 HD23 LEU A 91 1.905 -1.408 -10.586 1.00 65.15 H new ATOM 1007 N VAL A 92 0.357 0.831 -9.113 1.00 4.14 N ATOM 1008 CA VAL A 92 0.525 2.246 -8.802 1.00 23.45 C ATOM 1009 C VAL A 92 -0.821 2.917 -8.555 1.00 2.53 C ATOM 1010 O VAL A 92 -0.894 3.975 -7.929 1.00 10.30 O ATOM 1011 CB VAL A 92 1.256 2.987 -9.937 1.00 3.04 C ATOM 1012 CG1 VAL A 92 2.590 2.321 -10.237 1.00 63.03 C ATOM 1013 CG2 VAL A 92 0.386 3.043 -11.183 1.00 30.01 C ATOM 0 H VAL A 92 0.728 0.552 -10.021 1.00 4.14 H new ATOM 0 HA VAL A 92 1.127 2.302 -7.895 1.00 23.45 H new ATOM 0 HB VAL A 92 1.453 4.009 -9.613 1.00 3.04 H new ATOM 0 HG11 VAL A 92 3.092 2.858 -11.042 1.00 63.03 H new ATOM 0 HG12 VAL A 92 3.214 2.339 -9.344 1.00 63.03 H new ATOM 0 HG13 VAL A 92 2.421 1.288 -10.541 1.00 63.03 H new ATOM 0 HG21 VAL A 92 0.918 3.570 -11.975 1.00 30.01 H new ATOM 0 HG22 VAL A 92 0.156 2.030 -11.512 1.00 30.01 H new ATOM 0 HG23 VAL A 92 -0.541 3.570 -10.956 1.00 30.01 H new ATOM 1023 N LYS A 93 -1.886 2.296 -9.050 1.00 44.11 N ATOM 1024 CA LYS A 93 -3.231 2.832 -8.883 1.00 34.33 C ATOM 1025 C LYS A 93 -3.664 2.769 -7.421 1.00 42.42 C ATOM 1026 O LYS A 93 -4.127 3.762 -6.859 1.00 32.44 O ATOM 1027 CB LYS A 93 -4.223 2.056 -9.752 1.00 71.15 C ATOM 1028 CG LYS A 93 -5.677 2.386 -9.460 1.00 25.23 C ATOM 1029 CD LYS A 93 -6.407 1.198 -8.856 1.00 53.04 C ATOM 1030 CE LYS A 93 -7.336 0.543 -9.867 1.00 62.23 C ATOM 1031 NZ LYS A 93 -8.593 1.320 -10.051 1.00 44.14 N ATOM 0 H LYS A 93 -1.843 1.420 -9.571 1.00 44.11 H new ATOM 0 HA LYS A 93 -3.221 3.876 -9.197 1.00 34.33 H new ATOM 0 HB2 LYS A 93 -4.015 2.266 -10.801 1.00 71.15 H new ATOM 0 HB3 LYS A 93 -4.065 0.988 -9.603 1.00 71.15 H new ATOM 0 HG2 LYS A 93 -5.729 3.233 -8.775 1.00 25.23 H new ATOM 0 HG3 LYS A 93 -6.174 2.690 -10.381 1.00 25.23 H new ATOM 0 HD2 LYS A 93 -5.682 0.467 -8.499 1.00 53.04 H new ATOM 0 HD3 LYS A 93 -6.982 1.525 -7.990 1.00 53.04 H new ATOM 0 HE2 LYS A 93 -6.823 0.450 -10.824 1.00 62.23 H new ATOM 0 HE3 LYS A 93 -7.579 -0.467 -9.536 1.00 62.23 H new ATOM 0 HZ1 LYS A 93 -9.199 0.841 -10.747 1.00 44.14 H new ATOM 0 HZ2 LYS A 93 -9.096 1.387 -9.143 1.00 44.14 H new ATOM 0 HZ3 LYS A 93 -8.364 2.276 -10.391 1.00 44.14 H new ATOM 1045 N ARG A 94 -3.508 1.599 -6.812 1.00 70.41 N ATOM 1046 CA ARG A 94 -3.882 1.408 -5.416 1.00 33.10 C ATOM 1047 C ARG A 94 -2.966 2.207 -4.494 1.00 15.24 C ATOM 1048 O ARG A 94 -3.432 2.908 -3.594 1.00 61.21 O ATOM 1049 CB ARG A 94 -3.825 -0.076 -5.049 1.00 2.05 C ATOM 1050 CG ARG A 94 -4.933 -0.903 -5.680 1.00 21.04 C ATOM 1051 CD ARG A 94 -6.271 -0.650 -5.003 1.00 72.02 C ATOM 1052 NE ARG A 94 -6.264 -1.064 -3.603 1.00 24.22 N ATOM 1053 CZ ARG A 94 -7.307 -0.931 -2.791 1.00 61.14 C ATOM 1054 NH1 ARG A 94 -8.435 -0.398 -3.239 1.00 74.41 N ATOM 1055 NH2 ARG A 94 -7.223 -1.332 -1.529 1.00 43.03 N ATOM 0 H ARG A 94 -3.125 0.768 -7.263 1.00 70.41 H new ATOM 0 HA ARG A 94 -4.903 1.768 -5.287 1.00 33.10 H new ATOM 0 HB2 ARG A 94 -2.861 -0.481 -5.357 1.00 2.05 H new ATOM 0 HB3 ARG A 94 -3.881 -0.176 -3.965 1.00 2.05 H new ATOM 0 HG2 ARG A 94 -5.009 -0.663 -6.740 1.00 21.04 H new ATOM 0 HG3 ARG A 94 -4.683 -1.962 -5.610 1.00 21.04 H new ATOM 0 HD2 ARG A 94 -6.514 0.411 -5.066 1.00 72.02 H new ATOM 0 HD3 ARG A 94 -7.054 -1.189 -5.536 1.00 72.02 H new ATOM 0 HE ARG A 94 -5.411 -1.478 -3.227 1.00 24.22 H new ATOM 0 HH11 ARG A 94 -8.503 -0.089 -4.209 1.00 74.41 H new ATOM 0 HH12 ARG A 94 -9.235 -0.297 -2.614 1.00 74.41 H new ATOM 0 HH21 ARG A 94 -6.357 -1.743 -1.181 1.00 43.03 H new ATOM 0 HH22 ARG A 94 -8.025 -1.229 -0.907 1.00 43.03 H new ATOM 1069 N HIS A 95 -1.662 2.097 -4.723 1.00 22.33 N ATOM 1070 CA HIS A 95 -0.680 2.809 -3.912 1.00 52.24 C ATOM 1071 C HIS A 95 -0.911 4.316 -3.979 1.00 74.20 C ATOM 1072 O HIS A 95 -0.727 5.025 -2.990 1.00 73.03 O ATOM 1073 CB HIS A 95 0.737 2.478 -4.381 1.00 73.44 C ATOM 1074 CG HIS A 95 1.746 3.525 -4.025 1.00 1.20 C ATOM 1075 ND1 HIS A 95 1.861 4.060 -2.759 1.00 55.33 N ATOM 1076 CD2 HIS A 95 2.692 4.135 -4.777 1.00 11.32 C ATOM 1077 CE1 HIS A 95 2.832 4.956 -2.748 1.00 71.44 C ATOM 1078 NE2 HIS A 95 3.353 5.020 -3.960 1.00 70.25 N ATOM 0 H HIS A 95 -1.260 1.522 -5.463 1.00 22.33 H new ATOM 0 HA HIS A 95 -0.797 2.486 -2.878 1.00 52.24 H new ATOM 0 HB2 HIS A 95 1.043 1.527 -3.944 1.00 73.44 H new ATOM 0 HB3 HIS A 95 0.731 2.344 -5.463 1.00 73.44 H new ATOM 0 HD2 HIS A 95 2.890 3.959 -5.824 1.00 11.32 H new ATOM 0 HE1 HIS A 95 3.146 5.537 -1.894 1.00 71.44 H new ATOM 0 HE2 HIS A 95 4.121 5.628 -4.243 1.00 70.25 H new ATOM 1086 N GLN A 96 -1.315 4.796 -5.151 1.00 4.53 N ATOM 1087 CA GLN A 96 -1.569 6.219 -5.346 1.00 30.04 C ATOM 1088 C GLN A 96 -2.873 6.636 -4.673 1.00 61.11 C ATOM 1089 O GLN A 96 -2.998 7.758 -4.180 1.00 33.53 O ATOM 1090 CB GLN A 96 -1.623 6.549 -6.838 1.00 42.22 C ATOM 1091 CG GLN A 96 -2.173 7.935 -7.135 1.00 72.22 C ATOM 1092 CD GLN A 96 -1.318 8.703 -8.123 1.00 43.11 C ATOM 1093 OE1 GLN A 96 -0.515 9.554 -7.737 1.00 72.50 O ATOM 1094 NE2 GLN A 96 -1.485 8.407 -9.407 1.00 3.12 N ATOM 0 H GLN A 96 -1.473 4.221 -5.979 1.00 4.53 H new ATOM 0 HA GLN A 96 -0.751 6.775 -4.888 1.00 30.04 H new ATOM 0 HB2 GLN A 96 -0.620 6.468 -7.256 1.00 42.22 H new ATOM 0 HB3 GLN A 96 -2.240 5.806 -7.344 1.00 42.22 H new ATOM 0 HG2 GLN A 96 -3.185 7.843 -7.530 1.00 72.22 H new ATOM 0 HG3 GLN A 96 -2.244 8.500 -6.206 1.00 72.22 H new ATOM 0 HE21 GLN A 96 -2.161 7.695 -9.682 1.00 3.12 H new ATOM 0 HE22 GLN A 96 -0.937 8.892 -10.118 1.00 3.12 H new ATOM 1103 N LEU A 97 -3.841 5.727 -4.657 1.00 74.13 N ATOM 1104 CA LEU A 97 -5.137 6.000 -4.045 1.00 52.13 C ATOM 1105 C LEU A 97 -4.992 6.241 -2.546 1.00 65.22 C ATOM 1106 O LEU A 97 -5.485 7.237 -2.017 1.00 2.11 O ATOM 1107 CB LEU A 97 -6.097 4.836 -4.296 1.00 32.24 C ATOM 1108 CG LEU A 97 -6.801 4.826 -5.653 1.00 63.22 C ATOM 1109 CD1 LEU A 97 -7.451 3.475 -5.908 1.00 20.24 C ATOM 1110 CD2 LEU A 97 -7.835 5.940 -5.726 1.00 61.22 C ATOM 0 H LEU A 97 -3.753 4.794 -5.061 1.00 74.13 H new ATOM 0 HA LEU A 97 -5.543 6.903 -4.501 1.00 52.13 H new ATOM 0 HB2 LEU A 97 -5.541 3.904 -4.191 1.00 32.24 H new ATOM 0 HB3 LEU A 97 -6.857 4.844 -3.515 1.00 32.24 H new ATOM 0 HG LEU A 97 -6.055 4.999 -6.429 1.00 63.22 H new ATOM 0 HD11 LEU A 97 -7.947 3.487 -6.879 1.00 20.24 H new ATOM 0 HD12 LEU A 97 -6.688 2.697 -5.900 1.00 20.24 H new ATOM 0 HD13 LEU A 97 -8.185 3.271 -5.128 1.00 20.24 H new ATOM 0 HD21 LEU A 97 -8.326 5.918 -6.699 1.00 61.22 H new ATOM 0 HD22 LEU A 97 -8.578 5.799 -4.941 1.00 61.22 H new ATOM 0 HD23 LEU A 97 -7.343 6.903 -5.590 1.00 61.22 H new ATOM 1122 N ILE A 98 -4.310 5.323 -1.868 1.00 41.45 N ATOM 1123 CA ILE A 98 -4.097 5.438 -0.431 1.00 44.02 C ATOM 1124 C ILE A 98 -2.918 6.354 -0.122 1.00 5.32 C ATOM 1125 O ILE A 98 -2.842 6.943 0.957 1.00 50.53 O ATOM 1126 CB ILE A 98 -3.845 4.062 0.212 1.00 31.52 C ATOM 1127 CG1 ILE A 98 -2.592 3.417 -0.384 1.00 72.32 C ATOM 1128 CG2 ILE A 98 -5.054 3.159 0.021 1.00 75.52 C ATOM 1129 CD1 ILE A 98 -2.124 2.193 0.372 1.00 2.53 C ATOM 0 H ILE A 98 -3.896 4.492 -2.291 1.00 41.45 H new ATOM 0 HA ILE A 98 -5.007 5.866 -0.010 1.00 44.02 H new ATOM 0 HB ILE A 98 -3.685 4.201 1.281 1.00 31.52 H new ATOM 0 HG12 ILE A 98 -2.793 3.140 -1.419 1.00 72.32 H new ATOM 0 HG13 ILE A 98 -1.788 4.153 -0.402 1.00 72.32 H new ATOM 0 HG21 ILE A 98 -4.861 2.190 0.481 1.00 75.52 H new ATOM 0 HG22 ILE A 98 -5.926 3.615 0.489 1.00 75.52 H new ATOM 0 HG23 ILE A 98 -5.243 3.024 -1.044 1.00 75.52 H new ATOM 0 HD11 ILE A 98 -1.232 1.789 -0.107 1.00 2.53 H new ATOM 0 HD12 ILE A 98 -1.891 2.468 1.401 1.00 2.53 H new ATOM 0 HD13 ILE A 98 -2.912 1.439 0.368 1.00 2.53 H new ATOM 1141 N TYR A 99 -2.000 6.471 -1.075 1.00 52.13 N ATOM 1142 CA TYR A 99 -0.824 7.316 -0.905 1.00 21.51 C ATOM 1143 C TYR A 99 -0.300 7.238 0.526 1.00 61.42 C ATOM 1144 O TYR A 99 0.033 8.254 1.134 1.00 53.25 O ATOM 1145 CB TYR A 99 -1.156 8.766 -1.260 1.00 65.11 C ATOM 1146 CG TYR A 99 -2.380 9.298 -0.550 1.00 4.50 C ATOM 1147 CD1 TYR A 99 -2.273 9.926 0.685 1.00 63.00 C ATOM 1148 CD2 TYR A 99 -3.643 9.175 -1.115 1.00 31.01 C ATOM 1149 CE1 TYR A 99 -3.389 10.413 1.337 1.00 5.25 C ATOM 1150 CE2 TYR A 99 -4.764 9.661 -0.470 1.00 73.42 C ATOM 1151 CZ TYR A 99 -4.632 10.278 0.756 1.00 41.41 C ATOM 1152 OH TYR A 99 -5.746 10.764 1.402 1.00 23.20 O ATOM 0 H TYR A 99 -2.048 5.991 -1.974 1.00 52.13 H new ATOM 0 HA TYR A 99 -0.047 6.953 -1.578 1.00 21.51 H new ATOM 0 HB2 TYR A 99 -0.301 9.396 -1.014 1.00 65.11 H new ATOM 0 HB3 TYR A 99 -1.309 8.842 -2.337 1.00 65.11 H new ATOM 0 HD1 TYR A 99 -1.301 10.035 1.143 1.00 63.00 H new ATOM 0 HD2 TYR A 99 -3.751 8.691 -2.075 1.00 31.01 H new ATOM 0 HE1 TYR A 99 -3.288 10.897 2.297 1.00 5.25 H new ATOM 0 HE2 TYR A 99 -5.739 9.558 -0.924 1.00 73.42 H new ATOM 0 HH TYR A 99 -6.542 10.589 0.858 1.00 23.20 H new ATOM 1162 N GLY A 100 -0.229 6.021 1.058 1.00 41.02 N ATOM 1163 CA GLY A 100 0.256 5.831 2.412 1.00 34.24 C ATOM 1164 C GLY A 100 1.769 5.810 2.489 1.00 4.22 C ATOM 1165 O GLY A 100 2.357 6.320 3.444 1.00 21.22 O ATOM 0 H GLY A 100 -0.499 5.164 0.575 1.00 41.02 H new ATOM 0 HA2 GLY A 100 -0.126 6.631 3.047 1.00 34.24 H new ATOM 0 HA3 GLY A 100 -0.138 4.895 2.807 1.00 34.24 H new ATOM 1169 N LEU A 101 2.403 5.219 1.483 1.00 61.34 N ATOM 1170 CA LEU A 101 3.859 5.132 1.440 1.00 33.23 C ATOM 1171 C LEU A 101 4.480 6.508 1.227 1.00 44.30 C ATOM 1172 O LEU A 101 3.798 7.455 0.834 1.00 40.35 O ATOM 1173 CB LEU A 101 4.300 4.182 0.326 1.00 64.22 C ATOM 1174 CG LEU A 101 5.612 3.432 0.563 1.00 11.42 C ATOM 1175 CD1 LEU A 101 5.346 1.955 0.806 1.00 60.21 C ATOM 1176 CD2 LEU A 101 6.554 3.620 -0.617 1.00 24.32 C ATOM 0 H LEU A 101 1.932 4.792 0.685 1.00 61.34 H new ATOM 0 HA LEU A 101 4.204 4.743 2.398 1.00 33.23 H new ATOM 0 HB2 LEU A 101 3.509 3.449 0.167 1.00 64.22 H new ATOM 0 HB3 LEU A 101 4.394 4.755 -0.597 1.00 64.22 H new ATOM 0 HG LEU A 101 6.089 3.845 1.452 1.00 11.42 H new ATOM 0 HD11 LEU A 101 6.291 1.438 0.973 1.00 60.21 H new ATOM 0 HD12 LEU A 101 4.709 1.839 1.683 1.00 60.21 H new ATOM 0 HD13 LEU A 101 4.847 1.527 -0.063 1.00 60.21 H new ATOM 0 HD21 LEU A 101 7.482 3.080 -0.431 1.00 24.32 H new ATOM 0 HD22 LEU A 101 6.085 3.235 -1.522 1.00 24.32 H new ATOM 0 HD23 LEU A 101 6.771 4.681 -0.744 1.00 24.32 H new ATOM 1188 N LEU A 102 5.779 6.612 1.487 1.00 70.21 N ATOM 1189 CA LEU A 102 6.494 7.872 1.321 1.00 3.41 C ATOM 1190 C LEU A 102 5.963 8.931 2.282 1.00 34.44 C ATOM 1191 O LEU A 102 5.722 10.073 1.892 1.00 33.02 O ATOM 1192 CB LEU A 102 6.368 8.367 -0.121 1.00 2.22 C ATOM 1193 CG LEU A 102 7.604 9.051 -0.706 1.00 43.12 C ATOM 1194 CD1 LEU A 102 8.655 8.020 -1.086 1.00 62.34 C ATOM 1195 CD2 LEU A 102 7.224 9.898 -1.912 1.00 64.22 C ATOM 0 H LEU A 102 6.358 5.839 1.814 1.00 70.21 H new ATOM 0 HA LEU A 102 7.546 7.696 1.548 1.00 3.41 H new ATOM 0 HB2 LEU A 102 6.113 7.517 -0.755 1.00 2.22 H new ATOM 0 HB3 LEU A 102 5.532 9.065 -0.173 1.00 2.22 H new ATOM 0 HG LEU A 102 8.027 9.707 0.055 1.00 43.12 H new ATOM 0 HD11 LEU A 102 9.527 8.525 -1.501 1.00 62.34 H new ATOM 0 HD12 LEU A 102 8.949 7.457 -0.200 1.00 62.34 H new ATOM 0 HD13 LEU A 102 8.243 7.338 -1.830 1.00 62.34 H new ATOM 0 HD21 LEU A 102 8.116 10.377 -2.315 1.00 64.22 H new ATOM 0 HD22 LEU A 102 6.776 9.263 -2.676 1.00 64.22 H new ATOM 0 HD23 LEU A 102 6.507 10.661 -1.609 1.00 64.22 H new ATOM 1207 N SER A 103 5.784 8.543 3.541 1.00 11.12 N ATOM 1208 CA SER A 103 5.279 9.458 4.558 1.00 23.04 C ATOM 1209 C SER A 103 6.024 9.269 5.876 1.00 4.43 C ATOM 1210 O SER A 103 6.866 10.087 6.249 1.00 14.51 O ATOM 1211 CB SER A 103 3.780 9.241 4.771 1.00 20.35 C ATOM 1212 OG SER A 103 3.032 9.738 3.676 1.00 72.15 O ATOM 0 H SER A 103 5.981 7.602 3.881 1.00 11.12 H new ATOM 0 HA SER A 103 5.445 10.477 4.209 1.00 23.04 H new ATOM 0 HB2 SER A 103 3.578 8.178 4.900 1.00 20.35 H new ATOM 0 HB3 SER A 103 3.464 9.739 5.687 1.00 20.35 H new ATOM 0 HG SER A 103 2.077 9.586 3.836 1.00 72.15 H new ATOM 1218 N ASP A 104 5.709 8.186 6.577 1.00 70.20 N ATOM 1219 CA ASP A 104 6.348 7.888 7.853 1.00 24.43 C ATOM 1220 C ASP A 104 7.744 7.311 7.640 1.00 24.20 C ATOM 1221 O ASP A 104 8.606 7.409 8.513 1.00 61.41 O ATOM 1222 CB ASP A 104 5.495 6.906 8.658 1.00 1.45 C ATOM 1223 CG ASP A 104 5.858 6.896 10.130 1.00 23.03 C ATOM 1224 OD1 ASP A 104 6.929 6.352 10.474 1.00 72.21 O ATOM 1225 OD2 ASP A 104 5.073 7.433 10.939 1.00 75.33 O ATOM 0 H ASP A 104 5.014 7.499 6.283 1.00 70.20 H new ATOM 0 HA ASP A 104 6.440 8.820 8.411 1.00 24.43 H new ATOM 0 HB2 ASP A 104 4.443 7.168 8.548 1.00 1.45 H new ATOM 0 HB3 ASP A 104 5.618 5.903 8.250 1.00 1.45 H new ATOM 1230 N GLU A 105 7.959 6.709 6.474 1.00 31.02 N ATOM 1231 CA GLU A 105 9.250 6.115 6.148 1.00 20.22 C ATOM 1232 C GLU A 105 10.353 7.169 6.162 1.00 2.14 C ATOM 1233 O GLU A 105 11.506 6.873 6.477 1.00 1.24 O ATOM 1234 CB GLU A 105 9.193 5.439 4.777 1.00 65.52 C ATOM 1235 CG GLU A 105 9.798 6.274 3.661 1.00 71.12 C ATOM 1236 CD GLU A 105 9.458 5.740 2.283 1.00 53.22 C ATOM 1237 OE1 GLU A 105 8.256 5.562 1.995 1.00 31.10 O ATOM 1238 OE2 GLU A 105 10.394 5.501 1.492 1.00 44.20 O ATOM 0 H GLU A 105 7.256 6.620 5.740 1.00 31.02 H new ATOM 0 HA GLU A 105 9.478 5.365 6.906 1.00 20.22 H new ATOM 0 HB2 GLU A 105 9.717 4.484 4.830 1.00 65.52 H new ATOM 0 HB3 GLU A 105 8.154 5.219 4.533 1.00 65.52 H new ATOM 0 HG2 GLU A 105 9.442 7.301 3.747 1.00 71.12 H new ATOM 0 HG3 GLU A 105 10.881 6.301 3.779 1.00 71.12 H new ATOM 1245 N PHE A 106 9.991 8.401 5.818 1.00 21.54 N ATOM 1246 CA PHE A 106 10.949 9.499 5.790 1.00 45.33 C ATOM 1247 C PHE A 106 11.488 9.788 7.188 1.00 62.31 C ATOM 1248 O PHE A 106 12.645 10.174 7.353 1.00 45.33 O ATOM 1249 CB PHE A 106 10.298 10.758 5.212 1.00 33.44 C ATOM 1250 CG PHE A 106 10.999 11.292 3.996 1.00 32.42 C ATOM 1251 CD1 PHE A 106 10.981 10.585 2.804 1.00 4.23 C ATOM 1252 CD2 PHE A 106 11.675 12.500 4.044 1.00 14.15 C ATOM 1253 CE1 PHE A 106 11.626 11.074 1.684 1.00 44.11 C ATOM 1254 CE2 PHE A 106 12.321 12.994 2.927 1.00 1.32 C ATOM 1255 CZ PHE A 106 12.296 12.281 1.745 1.00 30.41 C ATOM 0 H PHE A 106 9.041 8.663 5.555 1.00 21.54 H new ATOM 0 HA PHE A 106 11.782 9.204 5.153 1.00 45.33 H new ATOM 0 HB2 PHE A 106 9.262 10.537 4.956 1.00 33.44 H new ATOM 0 HB3 PHE A 106 10.278 11.532 5.979 1.00 33.44 H new ATOM 0 HD1 PHE A 106 10.457 9.642 2.750 1.00 4.23 H new ATOM 0 HD2 PHE A 106 11.697 13.063 4.966 1.00 14.15 H new ATOM 0 HE1 PHE A 106 11.606 10.513 0.761 1.00 44.11 H new ATOM 0 HE2 PHE A 106 12.845 13.937 2.978 1.00 1.32 H new ATOM 0 HZ PHE A 106 12.799 12.666 0.870 1.00 30.41 H new ATOM 1265 N LYS A 107 10.640 9.597 8.193 1.00 42.41 N ATOM 1266 CA LYS A 107 11.029 9.836 9.578 1.00 73.30 C ATOM 1267 C LYS A 107 12.103 8.846 10.020 1.00 54.53 C ATOM 1268 O LYS A 107 12.901 9.139 10.909 1.00 42.21 O ATOM 1269 CB LYS A 107 9.810 9.726 10.497 1.00 21.12 C ATOM 1270 CG LYS A 107 10.162 9.717 11.975 1.00 54.22 C ATOM 1271 CD LYS A 107 9.131 10.471 12.798 1.00 54.43 C ATOM 1272 CE LYS A 107 8.047 9.542 13.321 1.00 75.43 C ATOM 1273 NZ LYS A 107 8.361 9.035 14.685 1.00 24.41 N ATOM 0 H LYS A 107 9.679 9.277 8.074 1.00 42.41 H new ATOM 0 HA LYS A 107 11.439 10.844 9.646 1.00 73.30 H new ATOM 0 HB2 LYS A 107 9.138 10.561 10.297 1.00 21.12 H new ATOM 0 HB3 LYS A 107 9.265 8.813 10.256 1.00 21.12 H new ATOM 0 HG2 LYS A 107 10.229 8.688 12.328 1.00 54.22 H new ATOM 0 HG3 LYS A 107 11.144 10.168 12.119 1.00 54.22 H new ATOM 0 HD2 LYS A 107 9.623 10.965 13.636 1.00 54.43 H new ATOM 0 HD3 LYS A 107 8.678 11.253 12.188 1.00 54.43 H new ATOM 0 HE2 LYS A 107 7.094 10.071 13.341 1.00 75.43 H new ATOM 0 HE3 LYS A 107 7.930 8.700 12.639 1.00 75.43 H new ATOM 0 HZ1 LYS A 107 7.598 8.405 15.006 1.00 24.41 H new ATOM 0 HZ2 LYS A 107 9.258 8.508 14.662 1.00 24.41 H new ATOM 0 HZ3 LYS A 107 8.447 9.837 15.342 1.00 24.41 H new ATOM 1287 N ALA A 108 12.116 7.675 9.392 1.00 43.45 N ATOM 1288 CA ALA A 108 13.094 6.645 9.718 1.00 43.03 C ATOM 1289 C ALA A 108 14.453 6.963 9.102 1.00 73.32 C ATOM 1290 O ALA A 108 15.492 6.764 9.730 1.00 53.22 O ATOM 1291 CB ALA A 108 12.604 5.284 9.246 1.00 22.12 C ATOM 0 H ALA A 108 11.460 7.416 8.655 1.00 43.45 H new ATOM 0 HA ALA A 108 13.212 6.621 10.801 1.00 43.03 H new ATOM 0 HB1 ALA A 108 13.344 4.524 9.496 1.00 22.12 H new ATOM 0 HB2 ALA A 108 11.660 5.047 9.737 1.00 22.12 H new ATOM 0 HB3 ALA A 108 12.456 5.305 8.166 1.00 22.12 H new ATOM 1297 N GLY A 109 14.437 7.457 7.867 1.00 12.15 N ATOM 1298 CA GLY A 109 15.674 7.793 7.187 1.00 13.31 C ATOM 1299 C GLY A 109 16.017 6.808 6.087 1.00 12.33 C ATOM 1300 O GLY A 109 17.011 6.977 5.380 1.00 50.31 O ATOM 0 H GLY A 109 13.590 7.630 7.326 1.00 12.15 H new ATOM 0 HA2 GLY A 109 15.591 8.793 6.762 1.00 13.31 H new ATOM 0 HA3 GLY A 109 16.487 7.821 7.912 1.00 13.31 H new ATOM 1304 N LEU A 110 15.194 5.775 5.943 1.00 41.32 N ATOM 1305 CA LEU A 110 15.416 4.757 4.922 1.00 42.32 C ATOM 1306 C LEU A 110 14.229 4.676 3.967 1.00 65.20 C ATOM 1307 O LEU A 110 13.079 4.836 4.375 1.00 53.10 O ATOM 1308 CB LEU A 110 15.654 3.395 5.575 1.00 22.12 C ATOM 1309 CG LEU A 110 14.861 3.115 6.852 1.00 74.01 C ATOM 1310 CD1 LEU A 110 15.413 3.928 8.013 1.00 73.24 C ATOM 1311 CD2 LEU A 110 13.385 3.419 6.640 1.00 73.12 C ATOM 0 H LEU A 110 14.367 5.620 6.520 1.00 41.32 H new ATOM 0 HA LEU A 110 16.300 5.038 4.350 1.00 42.32 H new ATOM 0 HB2 LEU A 110 15.417 2.619 4.847 1.00 22.12 H new ATOM 0 HB3 LEU A 110 16.716 3.305 5.804 1.00 22.12 H new ATOM 0 HG LEU A 110 14.963 2.057 7.095 1.00 74.01 H new ATOM 0 HD11 LEU A 110 14.836 3.715 8.913 1.00 73.24 H new ATOM 0 HD12 LEU A 110 16.457 3.662 8.180 1.00 73.24 H new ATOM 0 HD13 LEU A 110 15.342 4.990 7.779 1.00 73.24 H new ATOM 0 HD21 LEU A 110 12.836 3.214 7.559 1.00 73.12 H new ATOM 0 HD22 LEU A 110 13.265 4.469 6.372 1.00 73.12 H new ATOM 0 HD23 LEU A 110 12.996 2.792 5.837 1.00 73.12 H new ATOM 1323 N HIS A 111 14.517 4.423 2.694 1.00 51.31 N ATOM 1324 CA HIS A 111 13.473 4.317 1.681 1.00 51.31 C ATOM 1325 C HIS A 111 12.459 3.241 2.056 1.00 22.41 C ATOM 1326 O HIS A 111 12.546 2.639 3.126 1.00 32.11 O ATOM 1327 CB HIS A 111 14.087 4.003 0.316 1.00 31.24 C ATOM 1328 CG HIS A 111 13.723 4.993 -0.747 1.00 0.03 C ATOM 1329 ND1 HIS A 111 13.441 4.632 -2.047 1.00 61.52 N ATOM 1330 CD2 HIS A 111 13.594 6.339 -0.696 1.00 10.43 C ATOM 1331 CE1 HIS A 111 13.156 5.713 -2.751 1.00 22.15 C ATOM 1332 NE2 HIS A 111 13.241 6.763 -1.954 1.00 23.35 N ATOM 0 H HIS A 111 15.464 4.288 2.340 1.00 51.31 H new ATOM 0 HA HIS A 111 12.956 5.275 1.626 1.00 51.31 H new ATOM 0 HB2 HIS A 111 15.172 3.970 0.414 1.00 31.24 H new ATOM 0 HB3 HIS A 111 13.765 3.010 0.002 1.00 31.24 H new ATOM 0 HD2 HIS A 111 13.741 6.964 0.172 1.00 10.43 H new ATOM 0 HE1 HIS A 111 12.898 5.735 -3.799 1.00 22.15 H new ATOM 0 HE2 HIS A 111 13.072 7.731 -2.228 1.00 23.35 H new ATOM 1340 N ALA A 112 11.499 3.004 1.169 1.00 73.14 N ATOM 1341 CA ALA A 112 10.470 1.999 1.406 1.00 14.33 C ATOM 1342 C ALA A 112 10.022 1.352 0.100 1.00 10.30 C ATOM 1343 O ALA A 112 10.253 1.892 -0.983 1.00 70.41 O ATOM 1344 CB ALA A 112 9.281 2.621 2.124 1.00 12.10 C ATOM 0 H ALA A 112 11.412 3.495 0.279 1.00 73.14 H new ATOM 0 HA ALA A 112 10.897 1.220 2.038 1.00 14.33 H new ATOM 0 HB1 ALA A 112 8.520 1.860 2.295 1.00 12.10 H new ATOM 0 HB2 ALA A 112 9.607 3.029 3.081 1.00 12.10 H new ATOM 0 HB3 ALA A 112 8.864 3.420 1.512 1.00 12.10 H new ATOM 1350 N LEU A 113 9.381 0.194 0.208 1.00 24.44 N ATOM 1351 CA LEU A 113 8.902 -0.528 -0.965 1.00 75.11 C ATOM 1352 C LEU A 113 7.395 -0.753 -0.887 1.00 71.34 C ATOM 1353 O LEU A 113 6.894 -1.346 0.068 1.00 23.12 O ATOM 1354 CB LEU A 113 9.623 -1.871 -1.093 1.00 45.41 C ATOM 1355 CG LEU A 113 9.784 -2.672 0.199 1.00 22.21 C ATOM 1356 CD1 LEU A 113 9.609 -4.159 -0.070 1.00 12.34 C ATOM 1357 CD2 LEU A 113 11.141 -2.399 0.831 1.00 64.02 C ATOM 0 H LEU A 113 9.181 -0.265 1.096 1.00 24.44 H new ATOM 0 HA LEU A 113 9.116 0.077 -1.846 1.00 75.11 H new ATOM 0 HB2 LEU A 113 9.081 -2.485 -1.812 1.00 45.41 H new ATOM 0 HB3 LEU A 113 10.613 -1.691 -1.511 1.00 45.41 H new ATOM 0 HG LEU A 113 9.010 -2.356 0.898 1.00 22.21 H new ATOM 0 HD11 LEU A 113 9.727 -4.714 0.861 1.00 12.34 H new ATOM 0 HD12 LEU A 113 8.614 -4.341 -0.477 1.00 12.34 H new ATOM 0 HD13 LEU A 113 10.360 -4.490 -0.787 1.00 12.34 H new ATOM 0 HD21 LEU A 113 11.238 -2.978 1.750 1.00 64.02 H new ATOM 0 HD22 LEU A 113 11.930 -2.686 0.136 1.00 64.02 H new ATOM 0 HD23 LEU A 113 11.228 -1.337 1.060 1.00 64.02 H new ATOM 1369 N SER A 114 6.678 -0.278 -1.901 1.00 33.15 N ATOM 1370 CA SER A 114 5.228 -0.426 -1.946 1.00 72.14 C ATOM 1371 C SER A 114 4.814 -1.376 -3.066 1.00 52.13 C ATOM 1372 O SER A 114 5.289 -1.265 -4.196 1.00 70.11 O ATOM 1373 CB SER A 114 4.561 0.936 -2.145 1.00 52.32 C ATOM 1374 OG SER A 114 4.124 1.100 -3.483 1.00 71.13 O ATOM 0 H SER A 114 7.077 0.212 -2.701 1.00 33.15 H new ATOM 0 HA SER A 114 4.901 -0.847 -0.996 1.00 72.14 H new ATOM 0 HB2 SER A 114 3.712 1.031 -1.468 1.00 52.32 H new ATOM 0 HB3 SER A 114 5.263 1.729 -1.889 1.00 52.32 H new ATOM 0 HG SER A 114 4.152 2.050 -3.722 1.00 71.13 H new ATOM 1380 N MET A 115 3.925 -2.310 -2.743 1.00 52.54 N ATOM 1381 CA MET A 115 3.445 -3.279 -3.722 1.00 3.40 C ATOM 1382 C MET A 115 1.964 -3.577 -3.511 1.00 42.32 C ATOM 1383 O MET A 115 1.564 -4.076 -2.459 1.00 60.20 O ATOM 1384 CB MET A 115 4.256 -4.573 -3.630 1.00 1.35 C ATOM 1385 CG MET A 115 5.711 -4.352 -3.249 1.00 62.21 C ATOM 1386 SD MET A 115 6.779 -5.707 -3.774 1.00 44.54 S ATOM 1387 CE MET A 115 8.389 -4.929 -3.669 1.00 2.53 C ATOM 0 H MET A 115 3.523 -2.416 -1.812 1.00 52.54 H new ATOM 0 HA MET A 115 3.573 -2.849 -4.715 1.00 3.40 H new ATOM 0 HB2 MET A 115 3.792 -5.231 -2.895 1.00 1.35 H new ATOM 0 HB3 MET A 115 4.214 -5.087 -4.590 1.00 1.35 H new ATOM 0 HG2 MET A 115 6.063 -3.423 -3.697 1.00 62.21 H new ATOM 0 HG3 MET A 115 5.786 -4.233 -2.168 1.00 62.21 H new ATOM 0 HE1 MET A 115 8.927 -5.079 -4.605 1.00 2.53 H new ATOM 0 HE2 MET A 115 8.266 -3.861 -3.488 1.00 2.53 H new ATOM 0 HE3 MET A 115 8.955 -5.373 -2.850 1.00 2.53 H new ATOM 1397 N THR A 116 1.153 -3.267 -4.518 1.00 65.03 N ATOM 1398 CA THR A 116 -0.283 -3.500 -4.442 1.00 71.35 C ATOM 1399 C THR A 116 -0.733 -4.507 -5.495 1.00 20.10 C ATOM 1400 O THR A 116 -0.437 -4.356 -6.681 1.00 30.22 O ATOM 1401 CB THR A 116 -1.075 -2.192 -4.628 1.00 32.30 C ATOM 1402 OG1 THR A 116 -1.213 -1.897 -6.022 1.00 54.22 O ATOM 1403 CG2 THR A 116 -0.381 -1.035 -3.925 1.00 73.24 C ATOM 0 H THR A 116 1.467 -2.854 -5.396 1.00 65.03 H new ATOM 0 HA THR A 116 -0.486 -3.901 -3.449 1.00 71.35 H new ATOM 0 HB THR A 116 -2.063 -2.325 -4.186 1.00 32.30 H new ATOM 0 HG1 THR A 116 -1.003 -0.953 -6.179 1.00 54.22 H new ATOM 0 HG21 THR A 116 -0.958 -0.122 -4.070 1.00 73.24 H new ATOM 0 HG22 THR A 116 -0.304 -1.250 -2.859 1.00 73.24 H new ATOM 0 HG23 THR A 116 0.618 -0.903 -4.341 1.00 73.24 H new ATOM 1411 N THR A 117 -1.451 -5.536 -5.055 1.00 12.33 N ATOM 1412 CA THR A 117 -1.942 -6.568 -5.959 1.00 22.01 C ATOM 1413 C THR A 117 -3.462 -6.665 -5.909 1.00 32.40 C ATOM 1414 O THR A 117 -4.034 -7.109 -4.913 1.00 71.52 O ATOM 1415 CB THR A 117 -1.339 -7.944 -5.620 1.00 32.51 C ATOM 1416 OG1 THR A 117 -2.056 -8.976 -6.307 1.00 53.00 O ATOM 1417 CG2 THR A 117 -1.384 -8.201 -4.121 1.00 53.40 C ATOM 0 H THR A 117 -1.705 -5.676 -4.077 1.00 12.33 H new ATOM 0 HA THR A 117 -1.632 -6.282 -6.964 1.00 22.01 H new ATOM 0 HB THR A 117 -0.298 -7.948 -5.942 1.00 32.51 H new ATOM 0 HG1 THR A 117 -1.665 -9.848 -6.087 1.00 53.00 H new ATOM 0 HG21 THR A 117 -0.953 -9.179 -3.906 1.00 53.40 H new ATOM 0 HG22 THR A 117 -0.813 -7.431 -3.602 1.00 53.40 H new ATOM 0 HG23 THR A 117 -2.419 -8.178 -3.779 1.00 53.40 H new ATOM 1425 N LYS A 118 -4.113 -6.248 -6.990 1.00 21.23 N ATOM 1426 CA LYS A 118 -5.568 -6.290 -7.071 1.00 11.11 C ATOM 1427 C LYS A 118 -6.022 -6.836 -8.421 1.00 13.41 C ATOM 1428 O LYS A 118 -5.368 -6.620 -9.442 1.00 13.21 O ATOM 1429 CB LYS A 118 -6.152 -4.892 -6.851 1.00 70.41 C ATOM 1430 CG LYS A 118 -7.671 -4.861 -6.849 1.00 64.14 C ATOM 1431 CD LYS A 118 -8.214 -4.080 -8.034 1.00 5.50 C ATOM 1432 CE LYS A 118 -9.611 -4.544 -8.415 1.00 0.13 C ATOM 1433 NZ LYS A 118 -10.665 -3.686 -7.806 1.00 74.40 N ATOM 0 H LYS A 118 -3.655 -5.877 -7.823 1.00 21.23 H new ATOM 0 HA LYS A 118 -5.932 -6.956 -6.289 1.00 11.11 H new ATOM 0 HB2 LYS A 118 -5.788 -4.500 -5.901 1.00 70.41 H new ATOM 0 HB3 LYS A 118 -5.784 -4.227 -7.632 1.00 70.41 H new ATOM 0 HG2 LYS A 118 -8.057 -5.880 -6.876 1.00 64.14 H new ATOM 0 HG3 LYS A 118 -8.025 -4.411 -5.922 1.00 64.14 H new ATOM 0 HD2 LYS A 118 -8.236 -3.018 -7.791 1.00 5.50 H new ATOM 0 HD3 LYS A 118 -7.545 -4.199 -8.886 1.00 5.50 H new ATOM 0 HE2 LYS A 118 -9.715 -4.532 -9.500 1.00 0.13 H new ATOM 0 HE3 LYS A 118 -9.752 -5.576 -8.093 1.00 0.13 H new ATOM 0 HZ1 LYS A 118 -11.603 -4.035 -8.089 1.00 74.40 H new ATOM 0 HZ2 LYS A 118 -10.582 -3.717 -6.770 1.00 74.40 H new ATOM 0 HZ3 LYS A 118 -10.547 -2.706 -8.133 1.00 74.40 H new ATOM 1447 N THR A 119 -7.148 -7.543 -8.420 1.00 11.10 N ATOM 1448 CA THR A 119 -7.690 -8.119 -9.644 1.00 42.12 C ATOM 1449 C THR A 119 -7.888 -7.051 -10.713 1.00 54.25 C ATOM 1450 O THR A 119 -7.988 -5.858 -10.423 1.00 70.51 O ATOM 1451 CB THR A 119 -9.033 -8.826 -9.386 1.00 34.34 C ATOM 1452 OG1 THR A 119 -9.788 -8.102 -8.408 1.00 30.14 O ATOM 1453 CG2 THR A 119 -8.811 -10.253 -8.907 1.00 64.01 C ATOM 0 H THR A 119 -7.702 -7.730 -7.584 1.00 11.10 H new ATOM 0 HA THR A 119 -6.964 -8.852 -9.996 1.00 42.12 H new ATOM 0 HB THR A 119 -9.588 -8.856 -10.324 1.00 34.34 H new ATOM 0 HG1 THR A 119 -9.595 -8.459 -7.516 1.00 30.14 H new ATOM 0 HG21 THR A 119 -9.774 -10.732 -8.731 1.00 64.01 H new ATOM 0 HG22 THR A 119 -8.262 -10.810 -9.666 1.00 64.01 H new ATOM 0 HG23 THR A 119 -8.238 -10.241 -7.980 1.00 64.01 H new ATOM 1461 N PRO A 120 -7.948 -7.485 -11.981 1.00 72.21 N ATOM 1462 CA PRO A 120 -8.137 -6.581 -13.120 1.00 21.34 C ATOM 1463 C PRO A 120 -9.538 -5.980 -13.156 1.00 44.33 C ATOM 1464 O PRO A 120 -10.310 -6.123 -12.209 1.00 2.01 O ATOM 1465 CB PRO A 120 -7.912 -7.487 -14.333 1.00 30.12 C ATOM 1466 CG PRO A 120 -8.240 -8.857 -13.849 1.00 34.24 C ATOM 1467 CD PRO A 120 -7.837 -8.892 -12.400 1.00 61.44 C ATOM 0 HA PRO A 120 -7.462 -5.726 -13.079 1.00 21.34 H new ATOM 0 HB2 PRO A 120 -8.552 -7.198 -15.167 1.00 30.12 H new ATOM 0 HB3 PRO A 120 -6.882 -7.428 -14.686 1.00 30.12 H new ATOM 0 HG2 PRO A 120 -9.303 -9.067 -13.963 1.00 34.24 H new ATOM 0 HG3 PRO A 120 -7.702 -9.612 -14.422 1.00 34.24 H new ATOM 0 HD2 PRO A 120 -8.493 -9.538 -11.816 1.00 61.44 H new ATOM 0 HD3 PRO A 120 -6.822 -9.270 -12.274 1.00 61.44 H new ATOM 1475 N ALA A 121 -9.859 -5.307 -14.256 1.00 40.33 N ATOM 1476 CA ALA A 121 -11.168 -4.686 -14.417 1.00 1.31 C ATOM 1477 C ALA A 121 -12.046 -5.494 -15.366 1.00 12.01 C ATOM 1478 O ALA A 121 -13.267 -5.339 -15.379 1.00 22.41 O ATOM 1479 CB ALA A 121 -11.017 -3.258 -14.922 1.00 25.35 C ATOM 0 H ALA A 121 -9.230 -5.178 -15.049 1.00 40.33 H new ATOM 0 HA ALA A 121 -11.655 -4.665 -13.442 1.00 1.31 H new ATOM 0 HB1 ALA A 121 -12.002 -2.807 -15.038 1.00 25.35 H new ATOM 0 HB2 ALA A 121 -10.434 -2.679 -14.206 1.00 25.35 H new ATOM 0 HB3 ALA A 121 -10.506 -3.265 -15.885 1.00 25.35 H new