USER MOD reduce.3.24.130724 H: found=0, std=0, add=552, rem=0, adj=19 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= -0.652 K(o=-0.8,f=-1.6) USER MOD Set 1.2: A 114 SER OG : rot -100:sc= -0.149 USER MOD Set 2.1: A 47 THR OG1 : rot -179:sc= -1.44 USER MOD Set 2.2: A 83 SER OG : rot -177:sc= -0.45 USER MOD Set 3.1: A 53 ASN : amide:sc= -2.36 K(o=-10,f=-8.7) USER MOD Set 3.2: A 76 HIS : no HE2:sc= -8.13! C(o=-10!,f=-11!) USER MOD Single : A 37 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.000179) USER MOD Single : A 38 SER OG : rot -99:sc= 0.707 USER MOD Single : A 39 LYS NZ :NH3+ -154:sc= -0.0621 (180deg=-0.469) USER MOD Single : A 45 SER OG : rot 180:sc= -0.591 USER MOD Single : A 48 HIS : no HD1:sc= -0.0219 X(o=-0.022,f=0) USER MOD Single : A 50 LYS NZ :NH3+ 160:sc= -0.021 (180deg=-0.143) USER MOD Single : A 55 SER OG : rot 99:sc= 1.24 USER MOD Single : A 75 THR OG1 : rot -8:sc= 0.0651! 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 35:sc= 0.832 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 -117:sc= 0.266 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 HIS : no HD1:sc= -0.0907 X(o=-0.091,f=0) USER MOD Single : A 115 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 116 THR OG1 : rot -140:sc= -1.34 USER MOD Single : A 117 THR OG1 : rot 180:sc= -0.0723 USER MOD Single : A 118 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00231) USER MOD Single : A 119 THR OG1 : rot -91:sc= 0.0991 USER MOD ----------------------------------------------------------------- ATOM 153 N ALA A 35 1.197 6.638 8.001 1.00 21.44 N ATOM 154 CA ALA A 35 0.708 5.993 6.789 1.00 5.22 C ATOM 155 C ALA A 35 -0.494 5.103 7.086 1.00 23.35 C ATOM 156 O ALA A 35 -1.315 4.839 6.208 1.00 4.53 O ATOM 157 CB ALA A 35 1.820 5.183 6.137 1.00 53.21 C ATOM 0 HA ALA A 35 0.387 6.772 6.097 1.00 5.22 H new ATOM 0 HB1 ALA A 35 1.441 4.707 5.233 1.00 53.21 H new ATOM 0 HB2 ALA A 35 2.648 5.843 5.879 1.00 53.21 H new ATOM 0 HB3 ALA A 35 2.168 4.418 6.831 1.00 53.21 H new ATOM 163 N ILE A 36 -0.590 4.642 8.329 1.00 43.42 N ATOM 164 CA ILE A 36 -1.691 3.783 8.741 1.00 35.54 C ATOM 165 C ILE A 36 -3.036 4.384 8.346 1.00 31.43 C ATOM 166 O ILE A 36 -3.990 3.662 8.058 1.00 73.35 O ATOM 167 CB ILE A 36 -1.677 3.539 10.263 1.00 53.53 C ATOM 168 CG1 ILE A 36 -2.388 2.226 10.597 1.00 22.53 C ATOM 169 CG2 ILE A 36 -2.332 4.703 10.991 1.00 51.24 C ATOM 170 CD1 ILE A 36 -1.578 1.312 11.491 1.00 64.14 C ATOM 0 H ILE A 36 0.082 4.850 9.068 1.00 43.42 H new ATOM 0 HA ILE A 36 -1.557 2.831 8.227 1.00 35.54 H new ATOM 0 HB ILE A 36 -0.642 3.464 10.596 1.00 53.53 H new ATOM 0 HG12 ILE A 36 -3.337 2.450 11.084 1.00 22.53 H new ATOM 0 HG13 ILE A 36 -2.621 1.702 9.670 1.00 22.53 H new ATOM 0 HG21 ILE A 36 -2.315 4.517 12.065 1.00 51.24 H new ATOM 0 HG22 ILE A 36 -1.787 5.621 10.773 1.00 51.24 H new ATOM 0 HG23 ILE A 36 -3.364 4.806 10.657 1.00 51.24 H new ATOM 0 HD11 ILE A 36 -2.143 0.401 11.687 1.00 64.14 H new ATOM 0 HD12 ILE A 36 -0.640 1.059 10.998 1.00 64.14 H new ATOM 0 HD13 ILE A 36 -1.367 1.818 12.433 1.00 64.14 H new ATOM 182 N LYS A 37 -3.104 5.711 8.335 1.00 63.42 N ATOM 183 CA LYS A 37 -4.330 6.412 7.972 1.00 33.53 C ATOM 184 C LYS A 37 -4.723 6.109 6.530 1.00 60.12 C ATOM 185 O LYS A 37 -5.900 5.916 6.225 1.00 73.15 O ATOM 186 CB LYS A 37 -4.153 7.920 8.158 1.00 35.34 C ATOM 187 CG LYS A 37 -4.967 8.490 9.307 1.00 3.55 C ATOM 188 CD LYS A 37 -6.350 8.922 8.850 1.00 42.31 C ATOM 189 CE LYS A 37 -7.398 8.662 9.921 1.00 12.15 C ATOM 190 NZ LYS A 37 -7.152 9.473 11.147 1.00 64.30 N ATOM 0 H LYS A 37 -2.324 6.323 8.574 1.00 63.42 H new ATOM 0 HA LYS A 37 -5.127 6.062 8.628 1.00 33.53 H new ATOM 0 HB2 LYS A 37 -3.098 8.135 8.329 1.00 35.34 H new ATOM 0 HB3 LYS A 37 -4.437 8.427 7.236 1.00 35.34 H new ATOM 0 HG2 LYS A 37 -5.060 7.742 10.094 1.00 3.55 H new ATOM 0 HG3 LYS A 37 -4.442 9.343 9.738 1.00 3.55 H new ATOM 0 HD2 LYS A 37 -6.337 9.983 8.602 1.00 42.31 H new ATOM 0 HD3 LYS A 37 -6.618 8.385 7.940 1.00 42.31 H new ATOM 0 HE2 LYS A 37 -8.387 8.893 9.525 1.00 12.15 H new ATOM 0 HE3 LYS A 37 -7.398 7.603 10.180 1.00 12.15 H new ATOM 0 HZ1 LYS A 37 -7.897 9.280 11.846 1.00 64.30 H new ATOM 0 HZ2 LYS A 37 -6.226 9.222 11.549 1.00 64.30 H new ATOM 0 HZ3 LYS A 37 -7.161 10.484 10.902 1.00 64.30 H new ATOM 204 N SER A 38 -3.731 6.067 5.647 1.00 24.14 N ATOM 205 CA SER A 38 -3.973 5.790 4.236 1.00 52.13 C ATOM 206 C SER A 38 -4.509 4.374 4.045 1.00 2.21 C ATOM 207 O SER A 38 -5.464 4.154 3.300 1.00 14.32 O ATOM 208 CB SER A 38 -2.687 5.974 3.429 1.00 20.44 C ATOM 209 OG SER A 38 -2.362 7.346 3.294 1.00 45.22 O ATOM 0 H SER A 38 -2.751 6.221 5.884 1.00 24.14 H new ATOM 0 HA SER A 38 -4.722 6.496 3.876 1.00 52.13 H new ATOM 0 HB2 SER A 38 -1.867 5.450 3.920 1.00 20.44 H new ATOM 0 HB3 SER A 38 -2.806 5.526 2.442 1.00 20.44 H new ATOM 0 HG SER A 38 -2.658 7.668 2.417 1.00 45.22 H new ATOM 215 N LYS A 39 -3.886 3.416 4.723 1.00 4.51 N ATOM 216 CA LYS A 39 -4.299 2.021 4.630 1.00 21.01 C ATOM 217 C LYS A 39 -5.712 1.834 5.173 1.00 41.33 C ATOM 218 O LYS A 39 -6.466 0.989 4.691 1.00 55.12 O ATOM 219 CB LYS A 39 -3.324 1.127 5.400 1.00 64.23 C ATOM 220 CG LYS A 39 -3.837 0.700 6.764 1.00 62.35 C ATOM 221 CD LYS A 39 -2.748 0.031 7.586 1.00 5.52 C ATOM 222 CE LYS A 39 -3.332 -0.758 8.748 1.00 25.21 C ATOM 223 NZ LYS A 39 -2.705 -2.103 8.874 1.00 13.12 N ATOM 0 H LYS A 39 -3.093 3.580 5.343 1.00 4.51 H new ATOM 0 HA LYS A 39 -4.292 1.736 3.578 1.00 21.01 H new ATOM 0 HB2 LYS A 39 -3.113 0.238 4.806 1.00 64.23 H new ATOM 0 HB3 LYS A 39 -2.380 1.657 5.526 1.00 64.23 H new ATOM 0 HG2 LYS A 39 -4.216 1.570 7.300 1.00 62.35 H new ATOM 0 HG3 LYS A 39 -4.674 0.013 6.640 1.00 62.35 H new ATOM 0 HD2 LYS A 39 -2.167 -0.635 6.948 1.00 5.52 H new ATOM 0 HD3 LYS A 39 -2.062 0.787 7.967 1.00 5.52 H new ATOM 0 HE2 LYS A 39 -3.188 -0.202 9.674 1.00 25.21 H new ATOM 0 HE3 LYS A 39 -4.407 -0.870 8.608 1.00 25.21 H new ATOM 0 HZ1 LYS A 39 -3.371 -2.754 9.337 1.00 13.12 H new ATOM 0 HZ2 LYS A 39 -2.467 -2.465 7.929 1.00 13.12 H new ATOM 0 HZ3 LYS A 39 -1.839 -2.030 9.445 1.00 13.12 H new ATOM 237 N VAL A 40 -6.065 2.630 6.178 1.00 34.22 N ATOM 238 CA VAL A 40 -7.389 2.554 6.784 1.00 30.44 C ATOM 239 C VAL A 40 -8.477 2.897 5.773 1.00 43.20 C ATOM 240 O VAL A 40 -9.544 2.284 5.763 1.00 64.12 O ATOM 241 CB VAL A 40 -7.508 3.502 7.992 1.00 21.31 C ATOM 242 CG1 VAL A 40 -8.954 3.595 8.457 1.00 3.21 C ATOM 243 CG2 VAL A 40 -6.604 3.037 9.124 1.00 31.15 C ATOM 0 H VAL A 40 -5.453 3.334 6.589 1.00 34.22 H new ATOM 0 HA VAL A 40 -7.524 1.527 7.123 1.00 30.44 H new ATOM 0 HB VAL A 40 -7.185 4.497 7.685 1.00 21.31 H new ATOM 0 HG11 VAL A 40 -9.019 4.269 9.311 1.00 3.21 H new ATOM 0 HG12 VAL A 40 -9.573 3.977 7.645 1.00 3.21 H new ATOM 0 HG13 VAL A 40 -9.307 2.606 8.748 1.00 3.21 H new ATOM 0 HG21 VAL A 40 -6.700 3.718 9.970 1.00 31.15 H new ATOM 0 HG22 VAL A 40 -6.894 2.033 9.432 1.00 31.15 H new ATOM 0 HG23 VAL A 40 -5.569 3.027 8.782 1.00 31.15 H new ATOM 253 N GLU A 41 -8.199 3.881 4.924 1.00 2.51 N ATOM 254 CA GLU A 41 -9.154 4.308 3.909 1.00 33.21 C ATOM 255 C GLU A 41 -9.478 3.163 2.952 1.00 31.11 C ATOM 256 O GLU A 41 -10.563 3.111 2.374 1.00 71.00 O ATOM 257 CB GLU A 41 -8.603 5.501 3.126 1.00 13.11 C ATOM 258 CG GLU A 41 -7.900 5.111 1.837 1.00 31.30 C ATOM 259 CD GLU A 41 -6.956 6.189 1.338 1.00 33.42 C ATOM 260 OE1 GLU A 41 -5.843 6.304 1.890 1.00 64.35 O ATOM 261 OE2 GLU A 41 -7.334 6.916 0.396 1.00 23.11 O ATOM 0 H GLU A 41 -7.320 4.398 4.919 1.00 2.51 H new ATOM 0 HA GLU A 41 -10.072 4.608 4.414 1.00 33.21 H new ATOM 0 HB2 GLU A 41 -9.422 6.181 2.892 1.00 13.11 H new ATOM 0 HB3 GLU A 41 -7.905 6.049 3.759 1.00 13.11 H new ATOM 0 HG2 GLU A 41 -7.341 4.189 1.997 1.00 31.30 H new ATOM 0 HG3 GLU A 41 -8.646 4.902 1.070 1.00 31.30 H new ATOM 268 N ALA A 42 -8.528 2.248 2.791 1.00 1.04 N ATOM 269 CA ALA A 42 -8.710 1.104 1.907 1.00 13.32 C ATOM 270 C ALA A 42 -9.467 -0.018 2.609 1.00 32.24 C ATOM 271 O ALA A 42 -10.074 -0.870 1.962 1.00 20.15 O ATOM 272 CB ALA A 42 -7.364 0.603 1.407 1.00 24.24 C ATOM 0 H ALA A 42 -7.624 2.277 3.262 1.00 1.04 H new ATOM 0 HA ALA A 42 -9.304 1.428 1.053 1.00 13.32 H new ATOM 0 HB1 ALA A 42 -7.516 -0.252 0.748 1.00 24.24 H new ATOM 0 HB2 ALA A 42 -6.860 1.399 0.859 1.00 24.24 H new ATOM 0 HB3 ALA A 42 -6.750 0.302 2.256 1.00 24.24 H new ATOM 278 N ALA A 43 -9.426 -0.011 3.938 1.00 64.53 N ATOM 279 CA ALA A 43 -10.109 -1.028 4.729 1.00 52.54 C ATOM 280 C ALA A 43 -11.612 -1.003 4.473 1.00 33.43 C ATOM 281 O ALA A 43 -12.295 -2.015 4.634 1.00 35.12 O ATOM 282 CB ALA A 43 -9.820 -0.827 6.209 1.00 30.21 C ATOM 0 H ALA A 43 -8.927 0.687 4.489 1.00 64.53 H new ATOM 0 HA ALA A 43 -9.731 -2.004 4.426 1.00 52.54 H new ATOM 0 HB1 ALA A 43 -10.336 -1.593 6.788 1.00 30.21 H new ATOM 0 HB2 ALA A 43 -8.747 -0.902 6.384 1.00 30.21 H new ATOM 0 HB3 ALA A 43 -10.170 0.158 6.518 1.00 30.21 H new ATOM 288 N LEU A 44 -12.121 0.157 4.075 1.00 12.32 N ATOM 289 CA LEU A 44 -13.545 0.313 3.798 1.00 41.35 C ATOM 290 C LEU A 44 -13.988 -0.624 2.679 1.00 21.33 C ATOM 291 O LEU A 44 -15.074 -1.202 2.733 1.00 4.11 O ATOM 292 CB LEU A 44 -13.854 1.762 3.417 1.00 61.44 C ATOM 293 CG LEU A 44 -13.580 2.813 4.493 1.00 20.32 C ATOM 294 CD1 LEU A 44 -13.216 4.145 3.857 1.00 15.12 C ATOM 295 CD2 LEU A 44 -14.785 2.967 5.408 1.00 11.12 C ATOM 0 H LEU A 44 -11.569 1.004 3.937 1.00 12.32 H new ATOM 0 HA LEU A 44 -14.096 0.055 4.702 1.00 41.35 H new ATOM 0 HB2 LEU A 44 -13.270 2.016 2.532 1.00 61.44 H new ATOM 0 HB3 LEU A 44 -14.905 1.826 3.135 1.00 61.44 H new ATOM 0 HG LEU A 44 -12.735 2.478 5.094 1.00 20.32 H new ATOM 0 HD11 LEU A 44 -13.024 4.881 4.638 1.00 15.12 H new ATOM 0 HD12 LEU A 44 -12.322 4.024 3.245 1.00 15.12 H new ATOM 0 HD13 LEU A 44 -14.040 4.487 3.231 1.00 15.12 H new ATOM 0 HD21 LEU A 44 -14.571 3.719 6.167 1.00 11.12 H new ATOM 0 HD22 LEU A 44 -15.650 3.279 4.822 1.00 11.12 H new ATOM 0 HD23 LEU A 44 -14.999 2.014 5.891 1.00 11.12 H new ATOM 307 N SER A 45 -13.138 -0.774 1.667 1.00 0.42 N ATOM 308 CA SER A 45 -13.443 -1.640 0.535 1.00 2.42 C ATOM 309 C SER A 45 -12.993 -3.071 0.810 1.00 63.41 C ATOM 310 O SER A 45 -12.158 -3.331 1.676 1.00 21.45 O ATOM 311 CB SER A 45 -12.766 -1.115 -0.732 1.00 62.24 C ATOM 312 OG SER A 45 -13.725 -0.770 -1.718 1.00 24.41 O ATOM 0 H SER A 45 -12.233 -0.307 1.609 1.00 0.42 H new ATOM 0 HA SER A 45 -14.523 -1.639 0.388 1.00 2.42 H new ATOM 0 HB2 SER A 45 -12.160 -0.242 -0.489 1.00 62.24 H new ATOM 0 HB3 SER A 45 -12.090 -1.873 -1.127 1.00 62.24 H new ATOM 0 HG SER A 45 -13.267 -0.436 -2.517 1.00 24.41 H new ATOM 318 N PRO A 46 -13.558 -4.025 0.055 1.00 15.32 N ATOM 319 CA PRO A 46 -13.232 -5.447 0.197 1.00 2.45 C ATOM 320 C PRO A 46 -11.821 -5.767 -0.282 1.00 63.41 C ATOM 321 O PRO A 46 -11.579 -5.915 -1.481 1.00 72.40 O ATOM 322 CB PRO A 46 -14.269 -6.140 -0.690 1.00 51.20 C ATOM 323 CG PRO A 46 -14.649 -5.113 -1.700 1.00 35.42 C ATOM 324 CD PRO A 46 -14.562 -3.787 -0.997 1.00 33.51 C ATOM 0 HA PRO A 46 -13.259 -5.770 1.238 1.00 2.45 H new ATOM 0 HB2 PRO A 46 -13.853 -7.028 -1.166 1.00 51.20 H new ATOM 0 HB3 PRO A 46 -15.133 -6.464 -0.110 1.00 51.20 H new ATOM 0 HG2 PRO A 46 -13.978 -5.144 -2.559 1.00 35.42 H new ATOM 0 HG3 PRO A 46 -15.657 -5.290 -2.076 1.00 35.42 H new ATOM 0 HD2 PRO A 46 -14.253 -2.992 -1.675 1.00 33.51 H new ATOM 0 HD3 PRO A 46 -15.523 -3.491 -0.576 1.00 33.51 H new ATOM 332 N THR A 47 -10.890 -5.874 0.661 1.00 64.33 N ATOM 333 CA THR A 47 -9.501 -6.177 0.335 1.00 53.55 C ATOM 334 C THR A 47 -8.664 -6.343 1.597 1.00 44.42 C ATOM 335 O THR A 47 -9.196 -6.392 2.706 1.00 72.22 O ATOM 336 CB THR A 47 -8.878 -5.074 -0.542 1.00 4.20 C ATOM 337 OG1 THR A 47 -7.624 -5.521 -1.072 1.00 51.43 O ATOM 338 CG2 THR A 47 -8.668 -3.799 0.261 1.00 54.12 C ATOM 0 H THR A 47 -11.073 -5.755 1.657 1.00 64.33 H new ATOM 0 HA THR A 47 -9.503 -7.115 -0.221 1.00 53.55 H new ATOM 0 HB THR A 47 -9.564 -4.860 -1.361 1.00 4.20 H new ATOM 0 HG1 THR A 47 -7.227 -4.810 -1.617 1.00 51.43 H new ATOM 0 HG21 THR A 47 -8.227 -3.035 -0.379 1.00 54.12 H new ATOM 0 HG22 THR A 47 -9.627 -3.446 0.640 1.00 54.12 H new ATOM 0 HG23 THR A 47 -7.999 -4.002 1.097 1.00 54.12 H new ATOM 346 N HIS A 48 -7.348 -6.428 1.421 1.00 14.13 N ATOM 347 CA HIS A 48 -6.436 -6.587 2.547 1.00 21.03 C ATOM 348 C HIS A 48 -5.330 -5.536 2.505 1.00 53.12 C ATOM 349 O HIS A 48 -4.877 -5.142 1.431 1.00 44.24 O ATOM 350 CB HIS A 48 -5.823 -7.988 2.541 1.00 11.01 C ATOM 351 CG HIS A 48 -5.470 -8.494 3.905 1.00 10.34 C ATOM 352 ND1 HIS A 48 -4.204 -8.923 4.245 1.00 15.34 N ATOM 353 CD2 HIS A 48 -6.226 -8.636 5.020 1.00 0.12 C ATOM 354 CE1 HIS A 48 -4.197 -9.308 5.509 1.00 61.30 C ATOM 355 NE2 HIS A 48 -5.411 -9.145 6.002 1.00 63.10 N ATOM 0 H HIS A 48 -6.891 -6.389 0.510 1.00 14.13 H new ATOM 0 HA HIS A 48 -7.007 -6.452 3.465 1.00 21.03 H new ATOM 0 HB2 HIS A 48 -6.525 -8.680 2.076 1.00 11.01 H new ATOM 0 HB3 HIS A 48 -4.926 -7.980 1.922 1.00 11.01 H new ATOM 0 HD2 HIS A 48 -7.274 -8.394 5.119 1.00 0.12 H new ATOM 0 HE1 HIS A 48 -3.343 -9.691 6.048 1.00 61.30 H new ATOM 0 HE2 HIS A 48 -5.697 -9.362 6.957 1.00 63.10 H new ATOM 363 N PHE A 49 -4.903 -5.085 3.679 1.00 12.10 N ATOM 364 CA PHE A 49 -3.853 -4.078 3.775 1.00 5.34 C ATOM 365 C PHE A 49 -2.801 -4.485 4.803 1.00 11.13 C ATOM 366 O PHE A 49 -3.130 -4.879 5.923 1.00 44.31 O ATOM 367 CB PHE A 49 -4.451 -2.720 4.152 1.00 62.43 C ATOM 368 CG PHE A 49 -5.463 -2.798 5.259 1.00 54.14 C ATOM 369 CD1 PHE A 49 -6.785 -3.113 4.987 1.00 64.34 C ATOM 370 CD2 PHE A 49 -5.093 -2.554 6.572 1.00 53.15 C ATOM 371 CE1 PHE A 49 -7.718 -3.185 6.004 1.00 60.44 C ATOM 372 CE2 PHE A 49 -6.022 -2.625 7.592 1.00 34.50 C ATOM 373 CZ PHE A 49 -7.337 -2.940 7.307 1.00 33.04 C ATOM 0 H PHE A 49 -5.268 -5.401 4.578 1.00 12.10 H new ATOM 0 HA PHE A 49 -3.372 -3.998 2.800 1.00 5.34 H new ATOM 0 HB2 PHE A 49 -3.647 -2.048 4.452 1.00 62.43 H new ATOM 0 HB3 PHE A 49 -4.920 -2.281 3.271 1.00 62.43 H new ATOM 0 HD1 PHE A 49 -7.090 -3.304 3.969 1.00 64.34 H new ATOM 0 HD2 PHE A 49 -4.067 -2.306 6.800 1.00 53.15 H new ATOM 0 HE1 PHE A 49 -8.745 -3.433 5.779 1.00 60.44 H new ATOM 0 HE2 PHE A 49 -5.721 -2.434 8.611 1.00 34.50 H new ATOM 0 HZ PHE A 49 -8.065 -2.994 8.103 1.00 33.04 H new ATOM 383 N LYS A 50 -1.534 -4.388 4.416 1.00 73.14 N ATOM 384 CA LYS A 50 -0.433 -4.746 5.301 1.00 2.10 C ATOM 385 C LYS A 50 0.584 -3.611 5.390 1.00 35.43 C ATOM 386 O LYS A 50 1.252 -3.284 4.408 1.00 34.32 O ATOM 387 CB LYS A 50 0.253 -6.022 4.807 1.00 13.34 C ATOM 388 CG LYS A 50 1.340 -6.527 5.740 1.00 42.23 C ATOM 389 CD LYS A 50 2.481 -7.170 4.968 1.00 44.40 C ATOM 390 CE LYS A 50 2.978 -8.433 5.655 1.00 53.32 C ATOM 391 NZ LYS A 50 1.979 -9.535 5.577 1.00 40.22 N ATOM 0 H LYS A 50 -1.244 -4.064 3.493 1.00 73.14 H new ATOM 0 HA LYS A 50 -0.842 -4.923 6.296 1.00 2.10 H new ATOM 0 HB2 LYS A 50 -0.497 -6.802 4.680 1.00 13.34 H new ATOM 0 HB3 LYS A 50 0.687 -5.835 3.825 1.00 13.34 H new ATOM 0 HG2 LYS A 50 1.723 -5.699 6.336 1.00 42.23 H new ATOM 0 HG3 LYS A 50 0.916 -7.251 6.436 1.00 42.23 H new ATOM 0 HD2 LYS A 50 2.148 -7.411 3.958 1.00 44.40 H new ATOM 0 HD3 LYS A 50 3.302 -6.460 4.872 1.00 44.40 H new ATOM 0 HE2 LYS A 50 3.911 -8.755 5.193 1.00 53.32 H new ATOM 0 HE3 LYS A 50 3.198 -8.216 6.700 1.00 53.32 H new ATOM 0 HZ1 LYS A 50 2.454 -10.446 5.738 1.00 40.22 H new ATOM 0 HZ2 LYS A 50 1.248 -9.393 6.303 1.00 40.22 H new ATOM 0 HZ3 LYS A 50 1.537 -9.537 4.636 1.00 40.22 H new ATOM 405 N LEU A 51 0.696 -3.015 6.572 1.00 33.22 N ATOM 406 CA LEU A 51 1.633 -1.918 6.789 1.00 31.15 C ATOM 407 C LEU A 51 2.529 -2.198 7.992 1.00 61.32 C ATOM 408 O LEU A 51 2.045 -2.432 9.099 1.00 15.10 O ATOM 409 CB LEU A 51 0.873 -0.608 6.999 1.00 13.12 C ATOM 410 CG LEU A 51 1.731 0.631 7.259 1.00 43.13 C ATOM 411 CD1 LEU A 51 1.261 1.795 6.400 1.00 64.04 C ATOM 412 CD2 LEU A 51 1.696 1.006 8.732 1.00 15.43 C ATOM 0 H LEU A 51 0.150 -3.273 7.394 1.00 33.22 H new ATOM 0 HA LEU A 51 2.262 -1.828 5.903 1.00 31.15 H new ATOM 0 HB2 LEU A 51 0.259 -0.422 6.118 1.00 13.12 H new ATOM 0 HB3 LEU A 51 0.192 -0.737 7.840 1.00 13.12 H new ATOM 0 HG LEU A 51 2.761 0.398 6.989 1.00 43.13 H new ATOM 0 HD11 LEU A 51 1.883 2.668 6.598 1.00 64.04 H new ATOM 0 HD12 LEU A 51 1.340 1.525 5.347 1.00 64.04 H new ATOM 0 HD13 LEU A 51 0.223 2.027 6.638 1.00 64.04 H new ATOM 0 HD21 LEU A 51 2.312 1.890 8.897 1.00 15.43 H new ATOM 0 HD22 LEU A 51 0.669 1.219 9.029 1.00 15.43 H new ATOM 0 HD23 LEU A 51 2.082 0.178 9.327 1.00 15.43 H new ATOM 424 N ILE A 52 3.838 -2.170 7.765 1.00 31.24 N ATOM 425 CA ILE A 52 4.802 -2.418 8.831 1.00 63.04 C ATOM 426 C ILE A 52 5.800 -1.271 8.947 1.00 51.13 C ATOM 427 O ILE A 52 6.597 -1.034 8.040 1.00 21.24 O ATOM 428 CB ILE A 52 5.572 -3.732 8.600 1.00 3.13 C ATOM 429 CG1 ILE A 52 6.739 -3.844 9.583 1.00 21.20 C ATOM 430 CG2 ILE A 52 6.072 -3.807 7.165 1.00 5.21 C ATOM 431 CD1 ILE A 52 8.091 -3.613 8.946 1.00 72.11 C ATOM 0 H ILE A 52 4.255 -1.978 6.854 1.00 31.24 H new ATOM 0 HA ILE A 52 4.234 -2.498 9.758 1.00 63.04 H new ATOM 0 HB ILE A 52 4.895 -4.568 8.773 1.00 3.13 H new ATOM 0 HG12 ILE A 52 6.597 -3.121 10.387 1.00 21.20 H new ATOM 0 HG13 ILE A 52 6.726 -4.834 10.039 1.00 21.20 H new ATOM 0 HG21 ILE A 52 6.614 -4.741 7.017 1.00 5.21 H new ATOM 0 HG22 ILE A 52 5.224 -3.768 6.482 1.00 5.21 H new ATOM 0 HG23 ILE A 52 6.737 -2.966 6.967 1.00 5.21 H new ATOM 0 HD11 ILE A 52 8.870 -3.708 9.702 1.00 72.11 H new ATOM 0 HD12 ILE A 52 8.255 -4.352 8.161 1.00 72.11 H new ATOM 0 HD13 ILE A 52 8.124 -2.612 8.515 1.00 72.11 H new ATOM 443 N ASN A 53 5.750 -0.562 10.070 1.00 45.42 N ATOM 444 CA ASN A 53 6.651 0.562 10.304 1.00 31.55 C ATOM 445 C ASN A 53 7.584 0.274 11.477 1.00 35.42 C ATOM 446 O ASN A 53 7.133 -0.019 12.585 1.00 32.43 O ATOM 447 CB ASN A 53 5.851 1.836 10.576 1.00 33.14 C ATOM 448 CG ASN A 53 6.655 2.874 11.335 1.00 5.41 C ATOM 449 OD1 ASN A 53 6.193 3.427 12.332 1.00 12.13 O ATOM 450 ND2 ASN A 53 7.867 3.143 10.863 1.00 2.04 N ATOM 0 H ASN A 53 5.096 -0.745 10.831 1.00 45.42 H new ATOM 0 HA ASN A 53 7.255 0.705 9.408 1.00 31.55 H new ATOM 0 HB2 ASN A 53 5.517 2.261 9.629 1.00 33.14 H new ATOM 0 HB3 ASN A 53 4.957 1.585 11.146 1.00 33.14 H new ATOM 0 HD21 ASN A 53 8.455 3.833 11.331 1.00 2.04 H new ATOM 0 HD22 ASN A 53 8.210 2.660 10.033 1.00 2.04 H new ATOM 457 N ASP A 54 8.886 0.360 11.226 1.00 54.45 N ATOM 458 CA ASP A 54 9.883 0.111 12.260 1.00 14.24 C ATOM 459 C ASP A 54 10.359 1.420 12.882 1.00 15.03 C ATOM 460 O ASP A 54 10.167 1.658 14.075 1.00 64.31 O ATOM 461 CB ASP A 54 11.072 -0.655 11.678 1.00 11.25 C ATOM 462 CG ASP A 54 11.628 -1.681 12.645 1.00 24.02 C ATOM 463 OD1 ASP A 54 11.067 -2.795 12.717 1.00 2.13 O ATOM 464 OD2 ASP A 54 12.627 -1.372 13.329 1.00 41.14 O ATOM 0 H ASP A 54 9.275 0.601 10.314 1.00 54.45 H new ATOM 0 HA ASP A 54 9.419 -0.493 13.040 1.00 14.24 H new ATOM 0 HB2 ASP A 54 10.764 -1.155 10.760 1.00 11.25 H new ATOM 0 HB3 ASP A 54 11.858 0.050 11.409 1.00 11.25 H new ATOM 469 N SER A 55 10.982 2.264 12.067 1.00 13.30 N ATOM 470 CA SER A 55 11.490 3.548 12.538 1.00 21.33 C ATOM 471 C SER A 55 12.635 3.348 13.527 1.00 60.33 C ATOM 472 O SER A 55 12.459 2.740 14.584 1.00 44.32 O ATOM 473 CB SER A 55 10.368 4.355 13.195 1.00 62.54 C ATOM 474 OG SER A 55 10.329 5.677 12.689 1.00 55.42 O ATOM 0 H SER A 55 11.148 2.083 11.077 1.00 13.30 H new ATOM 0 HA SER A 55 11.868 4.100 11.677 1.00 21.33 H new ATOM 0 HB2 SER A 55 9.411 3.865 13.016 1.00 62.54 H new ATOM 0 HB3 SER A 55 10.517 4.379 14.274 1.00 62.54 H new ATOM 0 HG SER A 55 9.633 5.744 12.002 1.00 55.42 H new ATOM 734 N THR A 75 15.271 0.450 3.974 1.00 74.43 N ATOM 735 CA THR A 75 13.831 0.644 4.086 1.00 70.43 C ATOM 736 C THR A 75 13.260 -0.139 5.264 1.00 43.54 C ATOM 737 O THR A 75 13.520 -1.332 5.413 1.00 32.24 O ATOM 738 CB THR A 75 13.104 0.212 2.798 1.00 20.33 C ATOM 739 OG1 THR A 75 12.753 -1.174 2.875 1.00 52.42 O ATOM 740 CG2 THR A 75 13.979 0.452 1.577 1.00 53.33 C ATOM 0 HA THR A 75 13.668 1.710 4.248 1.00 70.43 H new ATOM 0 HB THR A 75 12.198 0.810 2.700 1.00 20.33 H new ATOM 0 HG1 THR A 75 13.161 -1.571 3.673 1.00 52.42 H new ATOM 0 HG21 THR A 75 13.445 0.140 0.680 1.00 53.33 H new ATOM 0 HG22 THR A 75 14.220 1.513 1.505 1.00 53.33 H new ATOM 0 HG23 THR A 75 14.900 -0.124 1.670 1.00 53.33 H new ATOM 748 N HIS A 76 12.482 0.543 6.098 1.00 0.44 N ATOM 749 CA HIS A 76 11.873 -0.089 7.263 1.00 23.04 C ATOM 750 C HIS A 76 10.350 -0.042 7.173 1.00 2.13 C ATOM 751 O HIS A 76 9.652 -0.714 7.934 1.00 4.41 O ATOM 752 CB HIS A 76 12.341 0.599 8.546 1.00 45.24 C ATOM 753 CG HIS A 76 11.813 1.992 8.706 1.00 22.11 C ATOM 754 ND1 HIS A 76 10.470 2.277 8.834 1.00 43.13 N ATOM 755 CD2 HIS A 76 12.456 3.181 8.760 1.00 52.42 C ATOM 756 CE1 HIS A 76 10.310 3.583 8.957 1.00 74.51 C ATOM 757 NE2 HIS A 76 11.500 4.154 8.917 1.00 72.14 N ATOM 0 H HIS A 76 12.258 1.532 5.989 1.00 0.44 H new ATOM 0 HA HIS A 76 12.186 -1.133 7.284 1.00 23.04 H new ATOM 0 HB2 HIS A 76 12.031 0.001 9.403 1.00 45.24 H new ATOM 0 HB3 HIS A 76 13.431 0.629 8.556 1.00 45.24 H new ATOM 0 HD1 HIS A 76 9.718 1.588 8.834 1.00 43.13 H new ATOM 0 HD2 HIS A 76 13.523 3.336 8.692 1.00 52.42 H new ATOM 0 HE1 HIS A 76 9.366 4.096 9.071 1.00 74.51 H new ATOM 765 N PHE A 77 9.842 0.755 6.240 1.00 32.24 N ATOM 766 CA PHE A 77 8.402 0.891 6.053 1.00 62.13 C ATOM 767 C PHE A 77 7.962 0.244 4.743 1.00 53.43 C ATOM 768 O PHE A 77 8.597 0.425 3.704 1.00 55.32 O ATOM 769 CB PHE A 77 8.002 2.368 6.066 1.00 61.34 C ATOM 770 CG PHE A 77 6.562 2.601 5.705 1.00 45.52 C ATOM 771 CD1 PHE A 77 6.179 2.726 4.379 1.00 13.22 C ATOM 772 CD2 PHE A 77 5.594 2.698 6.691 1.00 74.40 C ATOM 773 CE1 PHE A 77 4.855 2.941 4.043 1.00 43.31 C ATOM 774 CE2 PHE A 77 4.269 2.912 6.361 1.00 61.34 C ATOM 775 CZ PHE A 77 3.899 3.035 5.036 1.00 60.10 C ATOM 0 H PHE A 77 10.405 1.317 5.602 1.00 32.24 H new ATOM 0 HA PHE A 77 7.903 0.380 6.876 1.00 62.13 H new ATOM 0 HB2 PHE A 77 8.191 2.779 7.058 1.00 61.34 H new ATOM 0 HB3 PHE A 77 8.637 2.914 5.368 1.00 61.34 H new ATOM 0 HD1 PHE A 77 6.923 2.655 3.599 1.00 13.22 H new ATOM 0 HD2 PHE A 77 5.878 2.605 7.729 1.00 74.40 H new ATOM 0 HE1 PHE A 77 4.569 3.035 3.006 1.00 43.31 H new ATOM 0 HE2 PHE A 77 3.523 2.983 7.139 1.00 61.34 H new ATOM 0 HZ PHE A 77 2.864 3.204 4.777 1.00 60.10 H new ATOM 785 N ARG A 78 6.869 -0.511 4.800 1.00 14.10 N ATOM 786 CA ARG A 78 6.343 -1.186 3.620 1.00 43.31 C ATOM 787 C ARG A 78 4.817 -1.173 3.620 1.00 24.43 C ATOM 788 O ARG A 78 4.184 -1.458 4.638 1.00 44.12 O ATOM 789 CB ARG A 78 6.852 -2.628 3.563 1.00 72.32 C ATOM 790 CG ARG A 78 5.744 -3.667 3.622 1.00 53.00 C ATOM 791 CD ARG A 78 6.305 -5.080 3.613 1.00 23.03 C ATOM 792 NE ARG A 78 5.332 -6.053 3.123 1.00 55.32 N ATOM 793 CZ ARG A 78 5.505 -7.368 3.197 1.00 42.13 C ATOM 794 NH1 ARG A 78 6.610 -7.865 3.738 1.00 54.13 N ATOM 795 NH2 ARG A 78 4.574 -8.189 2.728 1.00 3.32 N ATOM 0 H ARG A 78 6.331 -0.670 5.652 1.00 14.10 H new ATOM 0 HA ARG A 78 6.693 -0.649 2.739 1.00 43.31 H new ATOM 0 HB2 ARG A 78 7.421 -2.768 2.644 1.00 72.32 H new ATOM 0 HB3 ARG A 78 7.540 -2.795 4.392 1.00 72.32 H new ATOM 0 HG2 ARG A 78 5.150 -3.516 4.523 1.00 53.00 H new ATOM 0 HG3 ARG A 78 5.074 -3.535 2.772 1.00 53.00 H new ATOM 0 HD2 ARG A 78 7.196 -5.112 2.986 1.00 23.03 H new ATOM 0 HD3 ARG A 78 6.614 -5.353 4.622 1.00 23.03 H new ATOM 0 HE ARG A 78 4.472 -5.703 2.701 1.00 55.32 H new ATOM 0 HH11 ARG A 78 7.329 -7.237 4.098 1.00 54.13 H new ATOM 0 HH12 ARG A 78 6.741 -8.875 3.794 1.00 54.13 H new ATOM 0 HH21 ARG A 78 3.724 -7.811 2.310 1.00 3.32 H new ATOM 0 HH22 ARG A 78 4.708 -9.198 2.786 1.00 3.32 H new ATOM 809 N LEU A 79 4.234 -0.842 2.475 1.00 44.54 N ATOM 810 CA LEU A 79 2.782 -0.790 2.342 1.00 33.52 C ATOM 811 C LEU A 79 2.315 -1.623 1.152 1.00 34.42 C ATOM 812 O LEU A 79 2.652 -1.329 0.007 1.00 61.24 O ATOM 813 CB LEU A 79 2.316 0.657 2.180 1.00 12.33 C ATOM 814 CG LEU A 79 0.913 0.972 2.700 1.00 14.42 C ATOM 815 CD1 LEU A 79 0.503 2.385 2.312 1.00 23.40 C ATOM 816 CD2 LEU A 79 -0.093 -0.040 2.171 1.00 64.35 C ATOM 0 H LEU A 79 4.744 -0.605 1.624 1.00 44.54 H new ATOM 0 HA LEU A 79 2.343 -1.206 3.249 1.00 33.52 H new ATOM 0 HB2 LEU A 79 3.026 1.306 2.693 1.00 12.33 H new ATOM 0 HB3 LEU A 79 2.356 0.914 1.122 1.00 12.33 H new ATOM 0 HG LEU A 79 0.928 0.905 3.788 1.00 14.42 H new ATOM 0 HD11 LEU A 79 -0.498 2.590 2.691 1.00 23.40 H new ATOM 0 HD12 LEU A 79 1.207 3.099 2.741 1.00 23.40 H new ATOM 0 HD13 LEU A 79 0.506 2.480 1.226 1.00 23.40 H new ATOM 0 HD21 LEU A 79 -1.086 0.201 2.552 1.00 64.35 H new ATOM 0 HD22 LEU A 79 -0.104 -0.006 1.082 1.00 64.35 H new ATOM 0 HD23 LEU A 79 0.189 -1.040 2.500 1.00 64.35 H new ATOM 828 N GLU A 80 1.534 -2.662 1.434 1.00 20.01 N ATOM 829 CA GLU A 80 1.019 -3.536 0.387 1.00 3.21 C ATOM 830 C GLU A 80 -0.441 -3.895 0.648 1.00 42.01 C ATOM 831 O GLU A 80 -0.860 -4.049 1.795 1.00 1.52 O ATOM 832 CB GLU A 80 1.860 -4.811 0.296 1.00 1.35 C ATOM 833 CG GLU A 80 3.325 -4.552 -0.016 1.00 2.53 C ATOM 834 CD GLU A 80 4.190 -5.781 0.185 1.00 40.31 C ATOM 835 OE1 GLU A 80 3.629 -6.893 0.279 1.00 64.34 O ATOM 836 OE2 GLU A 80 5.429 -5.630 0.249 1.00 14.11 O ATOM 0 H GLU A 80 1.245 -2.918 2.378 1.00 20.01 H new ATOM 0 HA GLU A 80 1.081 -3.000 -0.560 1.00 3.21 H new ATOM 0 HB2 GLU A 80 1.788 -5.352 1.240 1.00 1.35 H new ATOM 0 HB3 GLU A 80 1.442 -5.458 -0.475 1.00 1.35 H new ATOM 0 HG2 GLU A 80 3.418 -4.211 -1.047 1.00 2.53 H new ATOM 0 HG3 GLU A 80 3.691 -3.746 0.620 1.00 2.53 H new ATOM 843 N VAL A 81 -1.212 -4.027 -0.427 1.00 14.42 N ATOM 844 CA VAL A 81 -2.626 -4.367 -0.317 1.00 33.44 C ATOM 845 C VAL A 81 -2.989 -5.514 -1.253 1.00 12.30 C ATOM 846 O VAL A 81 -2.547 -5.557 -2.401 1.00 54.35 O ATOM 847 CB VAL A 81 -3.522 -3.156 -0.633 1.00 51.35 C ATOM 848 CG1 VAL A 81 -3.028 -1.919 0.100 1.00 20.32 C ATOM 849 CG2 VAL A 81 -3.575 -2.911 -2.134 1.00 72.23 C ATOM 0 H VAL A 81 -0.881 -3.904 -1.384 1.00 14.42 H new ATOM 0 HA VAL A 81 -2.798 -4.675 0.714 1.00 33.44 H new ATOM 0 HB VAL A 81 -4.532 -3.374 -0.287 1.00 51.35 H new ATOM 0 HG11 VAL A 81 -3.674 -1.074 -0.136 1.00 20.32 H new ATOM 0 HG12 VAL A 81 -3.047 -2.101 1.175 1.00 20.32 H new ATOM 0 HG13 VAL A 81 -2.008 -1.694 -0.212 1.00 20.32 H new ATOM 0 HG21 VAL A 81 -4.213 -2.051 -2.340 1.00 72.23 H new ATOM 0 HG22 VAL A 81 -2.570 -2.715 -2.506 1.00 72.23 H new ATOM 0 HG23 VAL A 81 -3.981 -3.791 -2.632 1.00 72.23 H new ATOM 859 N THR A 82 -3.800 -6.444 -0.756 1.00 4.54 N ATOM 860 CA THR A 82 -4.223 -7.591 -1.548 1.00 30.41 C ATOM 861 C THR A 82 -5.738 -7.622 -1.706 1.00 70.12 C ATOM 862 O THR A 82 -6.471 -7.807 -0.734 1.00 43.04 O ATOM 863 CB THR A 82 -3.758 -8.915 -0.911 1.00 13.04 C ATOM 864 OG1 THR A 82 -2.400 -8.798 -0.473 1.00 72.30 O ATOM 865 CG2 THR A 82 -3.880 -10.064 -1.901 1.00 34.02 C ATOM 0 H THR A 82 -4.176 -6.424 0.192 1.00 4.54 H new ATOM 0 HA THR A 82 -3.760 -7.485 -2.529 1.00 30.41 H new ATOM 0 HB THR A 82 -4.398 -9.125 -0.054 1.00 13.04 H new ATOM 0 HG1 THR A 82 -2.113 -9.643 -0.068 1.00 72.30 H new ATOM 0 HG21 THR A 82 -3.546 -10.988 -1.429 1.00 34.02 H new ATOM 0 HG22 THR A 82 -4.920 -10.169 -2.210 1.00 34.02 H new ATOM 0 HG23 THR A 82 -3.261 -9.859 -2.775 1.00 34.02 H new ATOM 873 N SER A 83 -6.204 -7.439 -2.938 1.00 5.30 N ATOM 874 CA SER A 83 -7.633 -7.442 -3.223 1.00 53.10 C ATOM 875 C SER A 83 -8.015 -8.649 -4.073 1.00 60.44 C ATOM 876 O SER A 83 -7.738 -8.691 -5.272 1.00 75.32 O ATOM 877 CB SER A 83 -8.035 -6.152 -3.942 1.00 2.43 C ATOM 878 OG SER A 83 -6.997 -5.188 -3.875 1.00 52.02 O ATOM 0 H SER A 83 -5.612 -7.287 -3.754 1.00 5.30 H new ATOM 0 HA SER A 83 -8.166 -7.503 -2.274 1.00 53.10 H new ATOM 0 HB2 SER A 83 -8.267 -6.370 -4.984 1.00 2.43 H new ATOM 0 HB3 SER A 83 -8.941 -5.748 -3.491 1.00 2.43 H new ATOM 0 HG SER A 83 -7.294 -4.357 -4.301 1.00 52.02 H new ATOM 884 N ASP A 84 -8.653 -9.631 -3.443 1.00 44.42 N ATOM 885 CA ASP A 84 -9.075 -10.839 -4.141 1.00 31.24 C ATOM 886 C ASP A 84 -7.871 -11.696 -4.519 1.00 61.44 C ATOM 887 O ASP A 84 -8.008 -12.706 -5.208 1.00 62.44 O ATOM 888 CB ASP A 84 -9.875 -10.479 -5.394 1.00 25.33 C ATOM 889 CG ASP A 84 -10.777 -9.280 -5.179 1.00 41.13 C ATOM 890 OD1 ASP A 84 -11.715 -9.383 -4.362 1.00 21.13 O ATOM 891 OD2 ASP A 84 -10.546 -8.239 -5.830 1.00 13.23 O ATOM 0 H ASP A 84 -8.889 -9.613 -2.451 1.00 44.42 H new ATOM 0 HA ASP A 84 -9.711 -11.414 -3.468 1.00 31.24 H new ATOM 0 HB2 ASP A 84 -9.187 -10.270 -6.213 1.00 25.33 H new ATOM 0 HB3 ASP A 84 -10.479 -11.335 -5.695 1.00 25.33 H new ATOM 896 N ALA A 85 -6.692 -11.284 -4.066 1.00 64.20 N ATOM 897 CA ALA A 85 -5.463 -12.014 -4.356 1.00 55.11 C ATOM 898 C ALA A 85 -5.364 -12.353 -5.840 1.00 15.32 C ATOM 899 O ALA A 85 -5.695 -13.464 -6.257 1.00 12.42 O ATOM 900 CB ALA A 85 -5.392 -13.282 -3.517 1.00 44.21 C ATOM 0 H ALA A 85 -6.561 -10.448 -3.496 1.00 64.20 H new ATOM 0 HA ALA A 85 -4.619 -11.374 -4.099 1.00 55.11 H new ATOM 0 HB1 ALA A 85 -4.470 -13.817 -3.744 1.00 44.21 H new ATOM 0 HB2 ALA A 85 -5.409 -13.020 -2.459 1.00 44.21 H new ATOM 0 HB3 ALA A 85 -6.246 -13.919 -3.747 1.00 44.21 H new ATOM 906 N PHE A 86 -4.909 -11.389 -6.633 1.00 21.13 N ATOM 907 CA PHE A 86 -4.768 -11.585 -8.071 1.00 20.20 C ATOM 908 C PHE A 86 -4.255 -10.317 -8.746 1.00 51.41 C ATOM 909 O PHE A 86 -5.035 -9.452 -9.144 1.00 42.45 O ATOM 910 CB PHE A 86 -6.108 -11.997 -8.685 1.00 14.24 C ATOM 911 CG PHE A 86 -6.113 -13.396 -9.231 1.00 11.23 C ATOM 912 CD1 PHE A 86 -5.154 -13.800 -10.147 1.00 75.10 C ATOM 913 CD2 PHE A 86 -7.076 -14.307 -8.828 1.00 50.03 C ATOM 914 CE1 PHE A 86 -5.158 -15.086 -10.651 1.00 22.03 C ATOM 915 CE2 PHE A 86 -7.084 -15.595 -9.329 1.00 24.41 C ATOM 916 CZ PHE A 86 -6.123 -15.985 -10.241 1.00 24.52 C ATOM 0 H PHE A 86 -4.632 -10.464 -6.304 1.00 21.13 H new ATOM 0 HA PHE A 86 -4.041 -12.381 -8.234 1.00 20.20 H new ATOM 0 HB2 PHE A 86 -6.888 -11.908 -7.928 1.00 14.24 H new ATOM 0 HB3 PHE A 86 -6.360 -11.302 -9.486 1.00 14.24 H new ATOM 0 HD1 PHE A 86 -4.396 -13.102 -10.470 1.00 75.10 H new ATOM 0 HD2 PHE A 86 -7.829 -14.007 -8.114 1.00 50.03 H new ATOM 0 HE1 PHE A 86 -4.407 -15.388 -11.365 1.00 22.03 H new ATOM 0 HE2 PHE A 86 -7.841 -16.296 -9.008 1.00 24.41 H new ATOM 0 HZ PHE A 86 -6.126 -16.991 -10.633 1.00 24.52 H new ATOM 926 N LYS A 87 -2.936 -10.211 -8.870 1.00 1.04 N ATOM 927 CA LYS A 87 -2.316 -9.050 -9.495 1.00 64.24 C ATOM 928 C LYS A 87 -2.656 -8.986 -10.981 1.00 42.10 C ATOM 929 O LYS A 87 -2.832 -10.015 -11.632 1.00 32.50 O ATOM 930 CB LYS A 87 -0.797 -9.095 -9.310 1.00 54.31 C ATOM 931 CG LYS A 87 -0.116 -7.758 -9.549 1.00 24.01 C ATOM 932 CD LYS A 87 0.711 -7.332 -8.347 1.00 41.13 C ATOM 933 CE LYS A 87 1.814 -6.363 -8.745 1.00 41.14 C ATOM 934 NZ LYS A 87 3.105 -7.062 -8.991 1.00 31.14 N ATOM 0 H LYS A 87 -2.275 -10.917 -8.545 1.00 1.04 H new ATOM 0 HA LYS A 87 -2.708 -8.155 -9.011 1.00 64.24 H new ATOM 0 HB2 LYS A 87 -0.572 -9.432 -8.298 1.00 54.31 H new ATOM 0 HB3 LYS A 87 -0.378 -9.834 -9.993 1.00 54.31 H new ATOM 0 HG2 LYS A 87 0.526 -7.827 -10.427 1.00 24.01 H new ATOM 0 HG3 LYS A 87 -0.868 -6.998 -9.762 1.00 24.01 H new ATOM 0 HD2 LYS A 87 0.063 -6.863 -7.606 1.00 41.13 H new ATOM 0 HD3 LYS A 87 1.150 -8.211 -7.876 1.00 41.13 H new ATOM 0 HE2 LYS A 87 1.516 -5.824 -9.644 1.00 41.14 H new ATOM 0 HE3 LYS A 87 1.947 -5.621 -7.958 1.00 41.14 H new ATOM 0 HZ1 LYS A 87 3.830 -6.367 -9.260 1.00 31.14 H new ATOM 0 HZ2 LYS A 87 3.403 -7.556 -8.126 1.00 31.14 H new ATOM 0 HZ3 LYS A 87 2.985 -7.752 -9.760 1.00 31.14 H new ATOM 948 N GLY A 88 -2.745 -7.770 -11.512 1.00 61.11 N ATOM 949 CA GLY A 88 -3.062 -7.596 -12.917 1.00 62.14 C ATOM 950 C GLY A 88 -2.880 -6.164 -13.379 1.00 44.12 C ATOM 951 O GLY A 88 -1.999 -5.872 -14.190 1.00 10.01 O ATOM 0 H GLY A 88 -2.603 -6.903 -10.994 1.00 61.11 H new ATOM 0 HA2 GLY A 88 -2.426 -8.251 -13.513 1.00 62.14 H new ATOM 0 HA3 GLY A 88 -4.092 -7.904 -13.095 1.00 62.14 H new ATOM 955 N LEU A 89 -3.715 -5.267 -12.865 1.00 24.24 N ATOM 956 CA LEU A 89 -3.642 -3.857 -13.231 1.00 22.30 C ATOM 957 C LEU A 89 -2.471 -3.173 -12.534 1.00 24.00 C ATOM 958 O LEU A 89 -1.961 -3.662 -11.525 1.00 51.03 O ATOM 959 CB LEU A 89 -4.949 -3.149 -12.871 1.00 2.35 C ATOM 960 CG LEU A 89 -5.377 -3.236 -11.404 1.00 42.42 C ATOM 961 CD1 LEU A 89 -4.645 -2.196 -10.572 1.00 23.22 C ATOM 962 CD2 LEU A 89 -6.884 -3.059 -11.277 1.00 63.23 C ATOM 0 H LEU A 89 -4.450 -5.491 -12.194 1.00 24.24 H new ATOM 0 HA LEU A 89 -3.486 -3.794 -14.308 1.00 22.30 H new ATOM 0 HB2 LEU A 89 -4.855 -2.097 -13.140 1.00 2.35 H new ATOM 0 HB3 LEU A 89 -5.746 -3.565 -13.487 1.00 2.35 H new ATOM 0 HG LEU A 89 -5.114 -4.224 -11.027 1.00 42.42 H new ATOM 0 HD11 LEU A 89 -4.962 -2.273 -9.532 1.00 23.22 H new ATOM 0 HD12 LEU A 89 -3.571 -2.368 -10.637 1.00 23.22 H new ATOM 0 HD13 LEU A 89 -4.876 -1.200 -10.949 1.00 23.22 H new ATOM 0 HD21 LEU A 89 -7.171 -3.124 -10.227 1.00 63.23 H new ATOM 0 HD22 LEU A 89 -7.170 -2.084 -11.672 1.00 63.23 H new ATOM 0 HD23 LEU A 89 -7.391 -3.842 -11.841 1.00 63.23 H new ATOM 974 N THR A 90 -2.048 -2.035 -13.078 1.00 24.03 N ATOM 975 CA THR A 90 -0.937 -1.283 -12.508 1.00 40.33 C ATOM 976 C THR A 90 -1.109 -1.103 -11.003 1.00 62.15 C ATOM 977 O THR A 90 -2.009 -0.395 -10.551 1.00 40.13 O ATOM 978 CB THR A 90 -0.801 0.103 -13.166 1.00 71.14 C ATOM 979 OG1 THR A 90 -1.897 0.939 -12.779 1.00 12.43 O ATOM 980 CG2 THR A 90 -0.763 -0.019 -14.682 1.00 64.11 C ATOM 0 H THR A 90 -2.458 -1.615 -13.912 1.00 24.03 H new ATOM 0 HA THR A 90 -0.033 -1.860 -12.702 1.00 40.33 H new ATOM 0 HB THR A 90 0.134 0.550 -12.829 1.00 71.14 H new ATOM 0 HG1 THR A 90 -2.151 0.738 -11.854 1.00 12.43 H new ATOM 0 HG21 THR A 90 -0.667 0.972 -15.125 1.00 64.11 H new ATOM 0 HG22 THR A 90 0.089 -0.632 -14.976 1.00 64.11 H new ATOM 0 HG23 THR A 90 -1.684 -0.485 -15.033 1.00 64.11 H new ATOM 988 N LEU A 91 -0.239 -1.748 -10.234 1.00 33.43 N ATOM 989 CA LEU A 91 -0.295 -1.660 -8.779 1.00 3.33 C ATOM 990 C LEU A 91 -0.169 -0.211 -8.316 1.00 62.21 C ATOM 991 O LEU A 91 -0.643 0.151 -7.240 1.00 53.41 O ATOM 992 CB LEU A 91 0.817 -2.504 -8.154 1.00 63.33 C ATOM 993 CG LEU A 91 2.240 -1.967 -8.317 1.00 11.01 C ATOM 994 CD1 LEU A 91 3.136 -2.483 -7.200 1.00 42.44 C ATOM 995 CD2 LEU A 91 2.804 -2.353 -9.676 1.00 75.23 C ATOM 0 H LEU A 91 0.513 -2.337 -10.593 1.00 33.43 H new ATOM 0 HA LEU A 91 -1.262 -2.044 -8.454 1.00 3.33 H new ATOM 0 HB2 LEU A 91 0.610 -2.610 -7.089 1.00 63.33 H new ATOM 0 HB3 LEU A 91 0.775 -3.503 -8.588 1.00 63.33 H new ATOM 0 HG LEU A 91 2.206 -0.879 -8.256 1.00 11.01 H new ATOM 0 HD11 LEU A 91 4.144 -2.091 -7.332 1.00 42.44 H new ATOM 0 HD12 LEU A 91 2.743 -2.156 -6.238 1.00 42.44 H new ATOM 0 HD13 LEU A 91 3.164 -3.572 -7.229 1.00 42.44 H new ATOM 0 HD21 LEU A 91 3.817 -1.962 -9.774 1.00 75.23 H new ATOM 0 HD22 LEU A 91 2.824 -3.439 -9.767 1.00 75.23 H new ATOM 0 HD23 LEU A 91 2.176 -1.935 -10.463 1.00 75.23 H new ATOM 1007 N VAL A 92 0.471 0.614 -9.139 1.00 63.11 N ATOM 1008 CA VAL A 92 0.657 2.023 -8.816 1.00 43.14 C ATOM 1009 C VAL A 92 -0.683 2.722 -8.617 1.00 53.51 C ATOM 1010 O VAL A 92 -0.756 3.787 -8.004 1.00 53.45 O ATOM 1011 CB VAL A 92 1.444 2.752 -9.920 1.00 44.43 C ATOM 1012 CG1 VAL A 92 2.777 2.063 -10.171 1.00 22.33 C ATOM 1013 CG2 VAL A 92 0.625 2.827 -11.200 1.00 32.51 C ATOM 0 H VAL A 92 0.869 0.330 -10.034 1.00 63.11 H new ATOM 0 HA VAL A 92 1.226 2.063 -7.887 1.00 43.14 H new ATOM 0 HB VAL A 92 1.645 3.769 -9.585 1.00 44.43 H new ATOM 0 HG11 VAL A 92 3.319 2.593 -10.955 1.00 22.33 H new ATOM 0 HG12 VAL A 92 3.367 2.068 -9.255 1.00 22.33 H new ATOM 0 HG13 VAL A 92 2.601 1.034 -10.484 1.00 22.33 H new ATOM 0 HG21 VAL A 92 1.198 3.346 -11.969 1.00 32.51 H new ATOM 0 HG22 VAL A 92 0.390 1.819 -11.541 1.00 32.51 H new ATOM 0 HG23 VAL A 92 -0.300 3.370 -11.009 1.00 32.51 H new ATOM 1023 N LYS A 93 -1.744 2.116 -9.139 1.00 63.22 N ATOM 1024 CA LYS A 93 -3.084 2.677 -9.018 1.00 44.31 C ATOM 1025 C LYS A 93 -3.550 2.668 -7.566 1.00 64.52 C ATOM 1026 O LYS A 93 -3.992 3.688 -7.039 1.00 2.13 O ATOM 1027 CB LYS A 93 -4.069 1.891 -9.886 1.00 1.21 C ATOM 1028 CG LYS A 93 -5.524 2.240 -9.623 1.00 72.22 C ATOM 1029 CD LYS A 93 -6.273 1.076 -8.996 1.00 23.51 C ATOM 1030 CE LYS A 93 -7.196 0.401 -9.999 1.00 11.23 C ATOM 1031 NZ LYS A 93 -8.535 1.051 -10.043 1.00 60.13 N ATOM 0 H LYS A 93 -1.701 1.235 -9.651 1.00 63.22 H new ATOM 0 HA LYS A 93 -3.050 3.710 -9.363 1.00 44.31 H new ATOM 0 HB2 LYS A 93 -3.844 2.077 -10.936 1.00 1.21 H new ATOM 0 HB3 LYS A 93 -3.923 0.825 -9.713 1.00 1.21 H new ATOM 0 HG2 LYS A 93 -5.578 3.106 -8.963 1.00 72.22 H new ATOM 0 HG3 LYS A 93 -6.006 2.522 -10.559 1.00 72.22 H new ATOM 0 HD2 LYS A 93 -5.559 0.348 -8.610 1.00 23.51 H new ATOM 0 HD3 LYS A 93 -6.856 1.432 -8.146 1.00 23.51 H new ATOM 0 HE2 LYS A 93 -6.743 0.435 -10.990 1.00 11.23 H new ATOM 0 HE3 LYS A 93 -7.311 -0.651 -9.737 1.00 11.23 H new ATOM 0 HZ1 LYS A 93 -9.135 0.563 -10.738 1.00 60.13 H new ATOM 0 HZ2 LYS A 93 -8.978 0.997 -9.104 1.00 60.13 H new ATOM 0 HZ3 LYS A 93 -8.428 2.048 -10.318 1.00 60.13 H new ATOM 1045 N ARG A 94 -3.444 1.508 -6.924 1.00 15.43 N ATOM 1046 CA ARG A 94 -3.855 1.366 -5.532 1.00 22.04 C ATOM 1047 C ARG A 94 -2.921 2.144 -4.609 1.00 30.01 C ATOM 1048 O ARG A 94 -3.372 2.881 -3.730 1.00 62.43 O ATOM 1049 CB ARG A 94 -3.872 -0.109 -5.132 1.00 34.34 C ATOM 1050 CG ARG A 94 -5.168 -0.822 -5.488 1.00 63.42 C ATOM 1051 CD ARG A 94 -5.965 -1.183 -4.244 1.00 61.34 C ATOM 1052 NE ARG A 94 -6.219 -0.019 -3.401 1.00 15.45 N ATOM 1053 CZ ARG A 94 -7.197 0.853 -3.625 1.00 71.54 C ATOM 1054 NH1 ARG A 94 -8.009 0.690 -4.661 1.00 44.24 N ATOM 1055 NH2 ARG A 94 -7.365 1.887 -2.812 1.00 34.20 N ATOM 0 H ARG A 94 -3.078 0.654 -7.345 1.00 15.43 H new ATOM 0 HA ARG A 94 -4.861 1.774 -5.432 1.00 22.04 H new ATOM 0 HB2 ARG A 94 -3.041 -0.619 -5.620 1.00 34.34 H new ATOM 0 HB3 ARG A 94 -3.707 -0.187 -4.057 1.00 34.34 H new ATOM 0 HG2 ARG A 94 -5.770 -0.184 -6.135 1.00 63.42 H new ATOM 0 HG3 ARG A 94 -4.944 -1.727 -6.053 1.00 63.42 H new ATOM 0 HD2 ARG A 94 -6.914 -1.631 -4.539 1.00 61.34 H new ATOM 0 HD3 ARG A 94 -5.422 -1.934 -3.671 1.00 61.34 H new ATOM 0 HE ARG A 94 -5.612 0.134 -2.595 1.00 15.45 H new ATOM 0 HH11 ARG A 94 -7.883 -0.105 -5.287 1.00 44.24 H new ATOM 0 HH12 ARG A 94 -8.759 1.360 -4.832 1.00 44.24 H new ATOM 0 HH21 ARG A 94 -6.743 2.014 -2.013 1.00 34.20 H new ATOM 0 HH22 ARG A 94 -8.116 2.555 -2.985 1.00 34.20 H new ATOM 1069 N HIS A 95 -1.619 1.974 -4.812 1.00 52.13 N ATOM 1070 CA HIS A 95 -0.621 2.659 -3.998 1.00 54.54 C ATOM 1071 C HIS A 95 -0.792 4.173 -4.091 1.00 50.31 C ATOM 1072 O HIS A 95 -0.563 4.892 -3.120 1.00 3.51 O ATOM 1073 CB HIS A 95 0.787 2.265 -4.441 1.00 23.24 C ATOM 1074 CG HIS A 95 1.841 3.247 -4.029 1.00 71.24 C ATOM 1075 ND1 HIS A 95 1.945 3.747 -2.748 1.00 71.33 N ATOM 1076 CD2 HIS A 95 2.843 3.820 -4.738 1.00 34.14 C ATOM 1077 CE1 HIS A 95 2.964 4.587 -2.687 1.00 72.21 C ATOM 1078 NE2 HIS A 95 3.525 4.648 -3.881 1.00 53.33 N ATOM 0 H HIS A 95 -1.230 1.367 -5.534 1.00 52.13 H new ATOM 0 HA HIS A 95 -0.764 2.357 -2.960 1.00 54.54 H new ATOM 0 HB2 HIS A 95 1.030 1.287 -4.024 1.00 23.24 H new ATOM 0 HB3 HIS A 95 0.802 2.162 -5.526 1.00 23.24 H new ATOM 0 HD2 HIS A 95 3.064 3.656 -5.782 1.00 34.14 H new ATOM 0 HE1 HIS A 95 3.283 5.131 -1.810 1.00 72.21 H new ATOM 0 HE2 HIS A 95 4.334 5.218 -4.127 1.00 53.33 H new ATOM 1086 N GLN A 96 -1.193 4.647 -5.266 1.00 54.22 N ATOM 1087 CA GLN A 96 -1.392 6.075 -5.485 1.00 2.34 C ATOM 1088 C GLN A 96 -2.674 6.556 -4.814 1.00 33.42 C ATOM 1089 O GLN A 96 -2.740 7.677 -4.307 1.00 64.33 O ATOM 1090 CB GLN A 96 -1.441 6.381 -6.983 1.00 55.23 C ATOM 1091 CG GLN A 96 -1.973 7.768 -7.304 1.00 3.03 C ATOM 1092 CD GLN A 96 -1.129 8.493 -8.335 1.00 72.22 C ATOM 1093 OE1 GLN A 96 -1.238 8.235 -9.534 1.00 41.31 O ATOM 1094 NE2 GLN A 96 -0.282 9.405 -7.872 1.00 72.41 N ATOM 0 H GLN A 96 -1.386 4.064 -6.080 1.00 54.22 H new ATOM 0 HA GLN A 96 -0.550 6.605 -5.040 1.00 2.34 H new ATOM 0 HB2 GLN A 96 -0.438 6.280 -7.399 1.00 55.23 H new ATOM 0 HB3 GLN A 96 -2.067 5.638 -7.477 1.00 55.23 H new ATOM 0 HG2 GLN A 96 -2.996 7.685 -7.671 1.00 3.03 H new ATOM 0 HG3 GLN A 96 -2.010 8.360 -6.389 1.00 3.03 H new ATOM 0 HE21 GLN A 96 -0.225 9.586 -6.870 1.00 72.41 H new ATOM 0 HE22 GLN A 96 0.312 9.924 -8.519 1.00 72.41 H new ATOM 1103 N LEU A 97 -3.692 5.702 -4.813 1.00 25.22 N ATOM 1104 CA LEU A 97 -4.973 6.039 -4.203 1.00 40.12 C ATOM 1105 C LEU A 97 -4.814 6.298 -2.708 1.00 60.52 C ATOM 1106 O LEU A 97 -5.273 7.317 -2.193 1.00 34.13 O ATOM 1107 CB LEU A 97 -5.982 4.913 -4.433 1.00 34.41 C ATOM 1108 CG LEU A 97 -6.590 4.831 -5.834 1.00 64.03 C ATOM 1109 CD1 LEU A 97 -7.169 3.447 -6.085 1.00 12.02 C ATOM 1110 CD2 LEU A 97 -7.658 5.899 -6.014 1.00 44.25 C ATOM 0 H LEU A 97 -3.655 4.771 -5.228 1.00 25.22 H new ATOM 0 HA LEU A 97 -5.342 6.951 -4.673 1.00 40.12 H new ATOM 0 HB2 LEU A 97 -5.493 3.964 -4.215 1.00 34.41 H new ATOM 0 HB3 LEU A 97 -6.793 5.026 -3.713 1.00 34.41 H new ATOM 0 HG LEU A 97 -5.800 5.009 -6.564 1.00 64.03 H new ATOM 0 HD11 LEU A 97 -7.597 3.408 -7.087 1.00 12.02 H new ATOM 0 HD12 LEU A 97 -6.379 2.701 -5.999 1.00 12.02 H new ATOM 0 HD13 LEU A 97 -7.946 3.239 -5.350 1.00 12.02 H new ATOM 0 HD21 LEU A 97 -8.080 5.826 -7.016 1.00 44.25 H new ATOM 0 HD22 LEU A 97 -8.447 5.752 -5.277 1.00 44.25 H new ATOM 0 HD23 LEU A 97 -7.213 6.885 -5.878 1.00 44.25 H new ATOM 1122 N ILE A 98 -4.160 5.368 -2.019 1.00 43.55 N ATOM 1123 CA ILE A 98 -3.938 5.498 -0.584 1.00 23.21 C ATOM 1124 C ILE A 98 -2.732 6.384 -0.293 1.00 3.22 C ATOM 1125 O ILE A 98 -2.672 7.048 0.743 1.00 50.11 O ATOM 1126 CB ILE A 98 -3.724 4.124 0.079 1.00 74.13 C ATOM 1127 CG1 ILE A 98 -2.501 3.428 -0.523 1.00 51.42 C ATOM 1128 CG2 ILE A 98 -4.965 3.259 -0.083 1.00 13.54 C ATOM 1129 CD1 ILE A 98 -2.230 2.064 0.070 1.00 34.40 C ATOM 0 H ILE A 98 -3.775 4.518 -2.431 1.00 43.55 H new ATOM 0 HA ILE A 98 -4.833 5.958 -0.166 1.00 23.21 H new ATOM 0 HB ILE A 98 -3.546 4.274 1.144 1.00 74.13 H new ATOM 0 HG12 ILE A 98 -2.644 3.326 -1.599 1.00 51.42 H new ATOM 0 HG13 ILE A 98 -1.625 4.060 -0.377 1.00 51.42 H new ATOM 0 HG21 ILE A 98 -4.798 2.291 0.391 1.00 13.54 H new ATOM 0 HG22 ILE A 98 -5.816 3.752 0.388 1.00 13.54 H new ATOM 0 HG23 ILE A 98 -5.171 3.113 -1.143 1.00 13.54 H new ATOM 0 HD11 ILE A 98 -1.350 1.630 -0.404 1.00 34.40 H new ATOM 0 HD12 ILE A 98 -2.055 2.161 1.141 1.00 34.40 H new ATOM 0 HD13 ILE A 98 -3.090 1.416 -0.100 1.00 34.40 H new ATOM 1141 N TYR A 99 -1.773 6.390 -1.212 1.00 22.33 N ATOM 1142 CA TYR A 99 -0.567 7.194 -1.054 1.00 55.02 C ATOM 1143 C TYR A 99 -0.097 7.191 0.398 1.00 64.10 C ATOM 1144 O TYR A 99 0.278 8.228 0.943 1.00 3.30 O ATOM 1145 CB TYR A 99 -0.822 8.630 -1.516 1.00 13.44 C ATOM 1146 CG TYR A 99 -2.019 9.275 -0.855 1.00 51.45 C ATOM 1147 CD1 TYR A 99 -3.288 9.163 -1.410 1.00 42.11 C ATOM 1148 CD2 TYR A 99 -1.882 9.996 0.324 1.00 34.04 C ATOM 1149 CE1 TYR A 99 -4.385 9.751 -0.811 1.00 4.11 C ATOM 1150 CE2 TYR A 99 -2.974 10.587 0.932 1.00 65.30 C ATOM 1151 CZ TYR A 99 -4.222 10.462 0.360 1.00 73.24 C ATOM 1152 OH TYR A 99 -5.312 11.048 0.961 1.00 33.23 O ATOM 0 H TYR A 99 -1.807 5.847 -2.075 1.00 22.33 H new ATOM 0 HA TYR A 99 0.216 6.754 -1.672 1.00 55.02 H new ATOM 0 HB2 TYR A 99 0.064 9.231 -1.311 1.00 13.44 H new ATOM 0 HB3 TYR A 99 -0.968 8.635 -2.596 1.00 13.44 H new ATOM 0 HD1 TYR A 99 -3.419 8.606 -2.326 1.00 42.11 H new ATOM 0 HD2 TYR A 99 -0.905 10.097 0.774 1.00 34.04 H new ATOM 0 HE1 TYR A 99 -5.364 9.655 -1.257 1.00 4.11 H new ATOM 0 HE2 TYR A 99 -2.850 11.143 1.849 1.00 65.30 H new ATOM 0 HH TYR A 99 -5.027 11.510 1.777 1.00 33.23 H new ATOM 1162 N GLY A 100 -0.120 6.016 1.018 1.00 72.51 N ATOM 1163 CA GLY A 100 0.306 5.897 2.401 1.00 71.15 C ATOM 1164 C GLY A 100 1.809 6.009 2.554 1.00 23.44 C ATOM 1165 O GLY A 100 2.301 6.586 3.525 1.00 10.22 O ATOM 0 H GLY A 100 -0.426 5.143 0.588 1.00 72.51 H new ATOM 0 HA2 GLY A 100 -0.176 6.674 2.995 1.00 71.15 H new ATOM 0 HA3 GLY A 100 -0.027 4.939 2.800 1.00 71.15 H new ATOM 1169 N LEU A 101 2.543 5.453 1.596 1.00 4.14 N ATOM 1170 CA LEU A 101 4.002 5.491 1.631 1.00 54.31 C ATOM 1171 C LEU A 101 4.507 6.929 1.703 1.00 23.44 C ATOM 1172 O LEU A 101 3.738 7.878 1.549 1.00 71.43 O ATOM 1173 CB LEU A 101 4.578 4.798 0.396 1.00 65.41 C ATOM 1174 CG LEU A 101 5.899 4.053 0.600 1.00 74.02 C ATOM 1175 CD1 LEU A 101 5.656 2.555 0.697 1.00 64.11 C ATOM 1176 CD2 LEU A 101 6.867 4.366 -0.531 1.00 43.22 C ATOM 0 H LEU A 101 2.153 4.971 0.786 1.00 4.14 H new ATOM 0 HA LEU A 101 4.334 4.963 2.525 1.00 54.31 H new ATOM 0 HB2 LEU A 101 3.838 4.090 0.023 1.00 65.41 H new ATOM 0 HB3 LEU A 101 4.723 5.547 -0.382 1.00 65.41 H new ATOM 0 HG LEU A 101 6.344 4.390 1.536 1.00 74.02 H new ATOM 0 HD11 LEU A 101 6.606 2.041 0.842 1.00 64.11 H new ATOM 0 HD12 LEU A 101 4.998 2.347 1.541 1.00 64.11 H new ATOM 0 HD13 LEU A 101 5.189 2.202 -0.222 1.00 64.11 H new ATOM 0 HD21 LEU A 101 7.801 3.828 -0.370 1.00 43.22 H new ATOM 0 HD22 LEU A 101 6.429 4.057 -1.480 1.00 43.22 H new ATOM 0 HD23 LEU A 101 7.065 5.438 -0.554 1.00 43.22 H new ATOM 1188 N LEU A 102 5.806 7.082 1.937 1.00 21.02 N ATOM 1189 CA LEU A 102 6.416 8.404 2.028 1.00 12.21 C ATOM 1190 C LEU A 102 5.851 9.184 3.211 1.00 4.40 C ATOM 1191 O LEU A 102 5.095 10.139 3.034 1.00 5.40 O ATOM 1192 CB LEU A 102 6.186 9.184 0.732 1.00 32.01 C ATOM 1193 CG LEU A 102 6.445 8.419 -0.566 1.00 20.42 C ATOM 1194 CD1 LEU A 102 5.176 8.336 -1.400 1.00 35.22 C ATOM 1195 CD2 LEU A 102 7.564 9.078 -1.359 1.00 51.32 C ATOM 0 H LEU A 102 6.457 6.307 2.067 1.00 21.02 H new ATOM 0 HA LEU A 102 7.487 8.273 2.181 1.00 12.21 H new ATOM 0 HB2 LEU A 102 5.155 9.538 0.722 1.00 32.01 H new ATOM 0 HB3 LEU A 102 6.826 10.066 0.744 1.00 32.01 H new ATOM 0 HG LEU A 102 6.755 7.405 -0.312 1.00 20.42 H new ATOM 0 HD11 LEU A 102 5.380 7.788 -2.320 1.00 35.22 H new ATOM 0 HD12 LEU A 102 4.402 7.819 -0.834 1.00 35.22 H new ATOM 0 HD13 LEU A 102 4.835 9.342 -1.645 1.00 35.22 H new ATOM 0 HD21 LEU A 102 7.735 8.520 -2.280 1.00 51.32 H new ATOM 0 HD22 LEU A 102 7.283 10.103 -1.602 1.00 51.32 H new ATOM 0 HD23 LEU A 102 8.477 9.084 -0.764 1.00 51.32 H new ATOM 1207 N SER A 103 6.227 8.772 4.418 1.00 52.50 N ATOM 1208 CA SER A 103 5.756 9.431 5.631 1.00 3.21 C ATOM 1209 C SER A 103 6.665 9.108 6.813 1.00 64.32 C ATOM 1210 O SER A 103 7.465 9.939 7.242 1.00 43.35 O ATOM 1211 CB SER A 103 4.321 9.005 5.945 1.00 3.32 C ATOM 1212 OG SER A 103 4.024 7.747 5.365 1.00 64.13 O ATOM 0 H SER A 103 6.856 7.986 4.582 1.00 52.50 H new ATOM 0 HA SER A 103 5.778 10.507 5.461 1.00 3.21 H new ATOM 0 HB2 SER A 103 4.182 8.953 7.025 1.00 3.32 H new ATOM 0 HB3 SER A 103 3.625 9.755 5.570 1.00 3.32 H new ATOM 0 HG SER A 103 3.308 7.852 4.704 1.00 64.13 H new ATOM 1218 N ASP A 104 6.536 7.893 7.334 1.00 23.31 N ATOM 1219 CA ASP A 104 7.346 7.457 8.466 1.00 73.44 C ATOM 1220 C ASP A 104 8.754 7.080 8.014 1.00 72.33 C ATOM 1221 O ASP A 104 9.731 7.347 8.711 1.00 3.31 O ATOM 1222 CB ASP A 104 6.686 6.266 9.163 1.00 15.03 C ATOM 1223 CG ASP A 104 7.264 6.009 10.541 1.00 3.23 C ATOM 1224 OD1 ASP A 104 8.493 5.809 10.640 1.00 31.55 O ATOM 1225 OD2 ASP A 104 6.489 6.009 11.520 1.00 43.10 O ATOM 0 H ASP A 104 5.879 7.193 6.991 1.00 23.31 H new ATOM 0 HA ASP A 104 7.419 8.286 9.170 1.00 73.44 H new ATOM 0 HB2 ASP A 104 5.615 6.447 9.250 1.00 15.03 H new ATOM 0 HB3 ASP A 104 6.810 5.375 8.548 1.00 15.03 H new ATOM 1230 N GLU A 105 8.847 6.457 6.844 1.00 73.32 N ATOM 1231 CA GLU A 105 10.135 6.042 6.300 1.00 23.51 C ATOM 1232 C GLU A 105 11.108 7.216 6.249 1.00 11.03 C ATOM 1233 O GLU A 105 12.319 7.040 6.381 1.00 61.13 O ATOM 1234 CB GLU A 105 9.957 5.452 4.899 1.00 11.12 C ATOM 1235 CG GLU A 105 10.088 6.478 3.786 1.00 60.11 C ATOM 1236 CD GLU A 105 9.555 5.972 2.460 1.00 73.23 C ATOM 1237 OE1 GLU A 105 8.326 5.783 2.347 1.00 20.33 O ATOM 1238 OE2 GLU A 105 10.368 5.763 1.535 1.00 11.32 O ATOM 0 H GLU A 105 8.047 6.228 6.255 1.00 73.32 H new ATOM 0 HA GLU A 105 10.548 5.278 6.958 1.00 23.51 H new ATOM 0 HB2 GLU A 105 10.698 4.667 4.747 1.00 11.12 H new ATOM 0 HB3 GLU A 105 8.976 4.981 4.834 1.00 11.12 H new ATOM 0 HG2 GLU A 105 9.551 7.384 4.067 1.00 60.11 H new ATOM 0 HG3 GLU A 105 11.137 6.752 3.671 1.00 60.11 H new ATOM 1245 N PHE A 106 10.568 8.416 6.059 1.00 64.04 N ATOM 1246 CA PHE A 106 11.388 9.620 5.988 1.00 13.23 C ATOM 1247 C PHE A 106 11.884 10.021 7.375 1.00 52.04 C ATOM 1248 O PHE A 106 12.996 10.526 7.527 1.00 62.15 O ATOM 1249 CB PHE A 106 10.591 10.770 5.367 1.00 22.24 C ATOM 1250 CG PHE A 106 11.452 11.807 4.705 1.00 71.32 C ATOM 1251 CD1 PHE A 106 12.158 12.726 5.464 1.00 62.25 C ATOM 1252 CD2 PHE A 106 11.555 11.862 3.325 1.00 62.11 C ATOM 1253 CE1 PHE A 106 12.951 13.682 4.856 1.00 11.33 C ATOM 1254 CE2 PHE A 106 12.347 12.815 2.712 1.00 31.11 C ATOM 1255 CZ PHE A 106 13.046 13.726 3.479 1.00 31.12 C ATOM 0 H PHE A 106 9.567 8.580 5.952 1.00 64.04 H new ATOM 0 HA PHE A 106 12.252 9.405 5.359 1.00 13.23 H new ATOM 0 HB2 PHE A 106 9.895 10.364 4.633 1.00 22.24 H new ATOM 0 HB3 PHE A 106 9.993 11.247 6.143 1.00 22.24 H new ATOM 0 HD1 PHE A 106 12.088 12.696 6.541 1.00 62.25 H new ATOM 0 HD2 PHE A 106 11.010 11.152 2.721 1.00 62.11 H new ATOM 0 HE1 PHE A 106 13.496 14.394 5.458 1.00 11.33 H new ATOM 0 HE2 PHE A 106 12.419 12.847 1.635 1.00 31.11 H new ATOM 0 HZ PHE A 106 13.666 14.471 3.003 1.00 31.12 H new ATOM 1265 N LYS A 107 11.050 9.794 8.384 1.00 51.53 N ATOM 1266 CA LYS A 107 11.401 10.131 9.758 1.00 33.35 C ATOM 1267 C LYS A 107 12.654 9.380 10.198 1.00 5.31 C ATOM 1268 O LYS A 107 13.323 9.777 11.152 1.00 31.30 O ATOM 1269 CB LYS A 107 10.239 9.800 10.699 1.00 45.01 C ATOM 1270 CG LYS A 107 10.604 9.889 12.171 1.00 45.02 C ATOM 1271 CD LYS A 107 9.399 10.248 13.023 1.00 43.12 C ATOM 1272 CE LYS A 107 9.649 11.508 13.838 1.00 73.34 C ATOM 1273 NZ LYS A 107 8.785 11.565 15.049 1.00 0.11 N ATOM 0 H LYS A 107 10.125 9.378 8.276 1.00 51.53 H new ATOM 0 HA LYS A 107 11.604 11.201 9.803 1.00 33.35 H new ATOM 0 HB2 LYS A 107 9.413 10.482 10.496 1.00 45.01 H new ATOM 0 HB3 LYS A 107 9.882 8.793 10.482 1.00 45.01 H new ATOM 0 HG2 LYS A 107 11.015 8.936 12.503 1.00 45.02 H new ATOM 0 HG3 LYS A 107 11.384 10.638 12.309 1.00 45.02 H new ATOM 0 HD2 LYS A 107 8.529 10.394 12.382 1.00 43.12 H new ATOM 0 HD3 LYS A 107 9.166 9.420 13.693 1.00 43.12 H new ATOM 0 HE2 LYS A 107 10.697 11.545 14.137 1.00 73.34 H new ATOM 0 HE3 LYS A 107 9.463 12.385 13.218 1.00 73.34 H new ATOM 0 HZ1 LYS A 107 8.985 12.438 15.578 1.00 0.11 H new ATOM 0 HZ2 LYS A 107 7.785 11.555 14.763 1.00 0.11 H new ATOM 0 HZ3 LYS A 107 8.980 10.742 15.654 1.00 0.11 H new ATOM 1287 N ALA A 108 12.967 8.296 9.496 1.00 3.31 N ATOM 1288 CA ALA A 108 14.143 7.495 9.812 1.00 32.42 C ATOM 1289 C ALA A 108 15.267 7.750 8.814 1.00 53.40 C ATOM 1290 O ALA A 108 16.445 7.702 9.165 1.00 33.52 O ATOM 1291 CB ALA A 108 13.782 6.016 9.835 1.00 72.11 C ATOM 0 H ALA A 108 12.423 7.952 8.705 1.00 3.31 H new ATOM 0 HA ALA A 108 14.497 7.789 10.800 1.00 32.42 H new ATOM 0 HB1 ALA A 108 14.669 5.429 10.072 1.00 72.11 H new ATOM 0 HB2 ALA A 108 13.017 5.840 10.591 1.00 72.11 H new ATOM 0 HB3 ALA A 108 13.401 5.719 8.858 1.00 72.11 H new ATOM 1297 N GLY A 109 14.895 8.023 7.567 1.00 41.23 N ATOM 1298 CA GLY A 109 15.885 8.282 6.538 1.00 53.30 C ATOM 1299 C GLY A 109 16.057 7.110 5.592 1.00 52.03 C ATOM 1300 O GLY A 109 17.047 7.031 4.863 1.00 11.45 O ATOM 0 H GLY A 109 13.926 8.069 7.251 1.00 41.23 H new ATOM 0 HA2 GLY A 109 15.591 9.164 5.969 1.00 53.30 H new ATOM 0 HA3 GLY A 109 16.842 8.510 7.008 1.00 53.30 H new ATOM 1304 N LEU A 110 15.092 6.197 5.602 1.00 25.20 N ATOM 1305 CA LEU A 110 15.142 5.022 4.739 1.00 11.11 C ATOM 1306 C LEU A 110 13.938 4.981 3.804 1.00 65.24 C ATOM 1307 O LEU A 110 12.814 5.281 4.208 1.00 41.41 O ATOM 1308 CB LEU A 110 15.191 3.747 5.583 1.00 74.25 C ATOM 1309 CG LEU A 110 16.225 3.726 6.709 1.00 73.01 C ATOM 1310 CD1 LEU A 110 17.533 4.346 6.243 1.00 70.11 C ATOM 1311 CD2 LEU A 110 15.693 4.453 7.935 1.00 43.30 C ATOM 0 H LEU A 110 14.266 6.248 6.198 1.00 25.20 H new ATOM 0 HA LEU A 110 16.046 5.085 4.134 1.00 11.11 H new ATOM 0 HB2 LEU A 110 14.205 3.586 6.019 1.00 74.25 H new ATOM 0 HB3 LEU A 110 15.388 2.904 4.920 1.00 74.25 H new ATOM 0 HG LEU A 110 16.416 2.688 6.983 1.00 73.01 H new ATOM 0 HD11 LEU A 110 18.257 4.323 7.057 1.00 70.11 H new ATOM 0 HD12 LEU A 110 17.922 3.782 5.395 1.00 70.11 H new ATOM 0 HD13 LEU A 110 17.359 5.379 5.942 1.00 70.11 H new ATOM 0 HD21 LEU A 110 16.442 4.428 8.726 1.00 43.30 H new ATOM 0 HD22 LEU A 110 15.472 5.489 7.677 1.00 43.30 H new ATOM 0 HD23 LEU A 110 14.783 3.964 8.282 1.00 43.30 H new ATOM 1323 N HIS A 111 14.180 4.605 2.552 1.00 0.31 N ATOM 1324 CA HIS A 111 13.115 4.522 1.559 1.00 54.10 C ATOM 1325 C HIS A 111 12.053 3.513 1.986 1.00 55.14 C ATOM 1326 O HIS A 111 12.045 3.050 3.126 1.00 53.15 O ATOM 1327 CB HIS A 111 13.687 4.132 0.197 1.00 44.31 C ATOM 1328 CG HIS A 111 13.281 5.055 -0.911 1.00 35.00 C ATOM 1329 ND1 HIS A 111 14.000 6.180 -1.256 1.00 70.40 N ATOM 1330 CD2 HIS A 111 12.222 5.014 -1.753 1.00 54.12 C ATOM 1331 CE1 HIS A 111 13.401 6.792 -2.262 1.00 35.41 C ATOM 1332 NE2 HIS A 111 12.319 6.104 -2.583 1.00 42.41 N ATOM 0 H HIS A 111 15.104 4.353 2.201 1.00 0.31 H new ATOM 0 HA HIS A 111 12.648 5.504 1.480 1.00 54.10 H new ATOM 0 HB2 HIS A 111 14.775 4.112 0.262 1.00 44.31 H new ATOM 0 HB3 HIS A 111 13.363 3.120 -0.047 1.00 44.31 H new ATOM 0 HD2 HIS A 111 11.445 4.264 -1.769 1.00 54.12 H new ATOM 0 HE1 HIS A 111 13.738 7.700 -2.741 1.00 35.41 H new ATOM 0 HE2 HIS A 111 11.663 6.344 -3.326 1.00 42.41 H new ATOM 1340 N ALA A 112 11.157 3.178 1.063 1.00 62.44 N ATOM 1341 CA ALA A 112 10.092 2.223 1.342 1.00 12.52 C ATOM 1342 C ALA A 112 9.685 1.468 0.080 1.00 12.34 C ATOM 1343 O ALA A 112 9.964 1.909 -1.035 1.00 24.20 O ATOM 1344 CB ALA A 112 8.889 2.936 1.944 1.00 70.34 C ATOM 0 H ALA A 112 11.148 3.554 0.115 1.00 62.44 H new ATOM 0 HA ALA A 112 10.469 1.496 2.062 1.00 12.52 H new ATOM 0 HB1 ALA A 112 8.101 2.211 2.148 1.00 70.34 H new ATOM 0 HB2 ALA A 112 9.183 3.423 2.874 1.00 70.34 H new ATOM 0 HB3 ALA A 112 8.521 3.685 1.242 1.00 70.34 H new ATOM 1350 N LEU A 113 9.025 0.331 0.265 1.00 63.12 N ATOM 1351 CA LEU A 113 8.580 -0.487 -0.859 1.00 44.25 C ATOM 1352 C LEU A 113 7.079 -0.744 -0.785 1.00 12.23 C ATOM 1353 O LEU A 113 6.583 -1.307 0.191 1.00 54.34 O ATOM 1354 CB LEU A 113 9.337 -1.815 -0.880 1.00 33.54 C ATOM 1355 CG LEU A 113 9.393 -2.577 0.446 1.00 75.12 C ATOM 1356 CD1 LEU A 113 8.751 -3.948 0.301 1.00 71.33 C ATOM 1357 CD2 LEU A 113 10.831 -2.706 0.927 1.00 75.22 C ATOM 0 H LEU A 113 8.786 -0.046 1.182 1.00 63.12 H new ATOM 0 HA LEU A 113 8.791 0.058 -1.779 1.00 44.25 H new ATOM 0 HB2 LEU A 113 8.877 -2.461 -1.628 1.00 33.54 H new ATOM 0 HB3 LEU A 113 10.358 -1.623 -1.209 1.00 33.54 H new ATOM 0 HG LEU A 113 8.832 -2.013 1.191 1.00 75.12 H new ATOM 0 HD11 LEU A 113 8.800 -4.475 1.254 1.00 71.33 H new ATOM 0 HD12 LEU A 113 7.709 -3.832 0.004 1.00 71.33 H new ATOM 0 HD13 LEU A 113 9.283 -4.521 -0.458 1.00 71.33 H new ATOM 0 HD21 LEU A 113 10.851 -3.250 1.871 1.00 75.22 H new ATOM 0 HD22 LEU A 113 11.416 -3.247 0.183 1.00 75.22 H new ATOM 0 HD23 LEU A 113 11.257 -1.713 1.072 1.00 75.22 H new ATOM 1369 N SER A 114 6.360 -0.329 -1.823 1.00 62.03 N ATOM 1370 CA SER A 114 4.915 -0.513 -1.875 1.00 65.14 C ATOM 1371 C SER A 114 4.530 -1.475 -2.995 1.00 0.00 C ATOM 1372 O SER A 114 5.032 -1.375 -4.115 1.00 22.34 O ATOM 1373 CB SER A 114 4.216 0.832 -2.080 1.00 52.45 C ATOM 1374 OG SER A 114 3.368 0.799 -3.216 1.00 33.43 O ATOM 0 H SER A 114 6.755 0.137 -2.640 1.00 62.03 H new ATOM 0 HA SER A 114 4.593 -0.941 -0.926 1.00 65.14 H new ATOM 0 HB2 SER A 114 3.632 1.081 -1.194 1.00 52.45 H new ATOM 0 HB3 SER A 114 4.961 1.618 -2.202 1.00 52.45 H new ATOM 0 HG SER A 114 3.820 1.224 -3.974 1.00 33.43 H new ATOM 1380 N MET A 115 3.635 -2.407 -2.685 1.00 31.14 N ATOM 1381 CA MET A 115 3.181 -3.387 -3.665 1.00 13.43 C ATOM 1382 C MET A 115 1.694 -3.681 -3.490 1.00 32.42 C ATOM 1383 O MET A 115 1.264 -4.163 -2.441 1.00 5.11 O ATOM 1384 CB MET A 115 3.987 -4.680 -3.535 1.00 62.44 C ATOM 1385 CG MET A 115 5.435 -4.456 -3.128 1.00 61.13 C ATOM 1386 SD MET A 115 6.514 -5.812 -3.626 1.00 0.21 S ATOM 1387 CE MET A 115 7.499 -5.015 -4.891 1.00 53.25 C ATOM 0 H MET A 115 3.210 -2.504 -1.763 1.00 31.14 H new ATOM 0 HA MET A 115 3.336 -2.969 -4.660 1.00 13.43 H new ATOM 0 HB2 MET A 115 3.507 -5.325 -2.799 1.00 62.44 H new ATOM 0 HB3 MET A 115 3.964 -5.210 -4.487 1.00 62.44 H new ATOM 0 HG2 MET A 115 5.794 -3.528 -3.574 1.00 61.13 H new ATOM 0 HG3 MET A 115 5.489 -4.332 -2.046 1.00 61.13 H new ATOM 0 HE1 MET A 115 8.216 -5.728 -5.297 1.00 53.25 H new ATOM 0 HE2 MET A 115 6.848 -4.661 -5.690 1.00 53.25 H new ATOM 0 HE3 MET A 115 8.034 -4.170 -4.457 1.00 53.25 H new ATOM 1397 N THR A 116 0.911 -3.390 -4.524 1.00 45.52 N ATOM 1398 CA THR A 116 -0.527 -3.621 -4.484 1.00 70.32 C ATOM 1399 C THR A 116 -0.944 -4.662 -5.517 1.00 10.34 C ATOM 1400 O THR A 116 -0.596 -4.560 -6.694 1.00 2.43 O ATOM 1401 CB THR A 116 -1.313 -2.321 -4.736 1.00 1.40 C ATOM 1402 OG1 THR A 116 -1.391 -2.060 -6.141 1.00 45.44 O ATOM 1403 CG2 THR A 116 -0.652 -1.145 -4.031 1.00 74.01 C ATOM 0 H THR A 116 1.250 -2.993 -5.401 1.00 45.52 H new ATOM 0 HA THR A 116 -0.761 -3.989 -3.485 1.00 70.32 H new ATOM 0 HB THR A 116 -2.319 -2.446 -4.335 1.00 1.40 H new ATOM 0 HG1 THR A 116 -1.269 -1.101 -6.303 1.00 45.44 H new ATOM 0 HG21 THR A 116 -1.224 -0.237 -4.223 1.00 74.01 H new ATOM 0 HG22 THR A 116 -0.621 -1.335 -2.958 1.00 74.01 H new ATOM 0 HG23 THR A 116 0.364 -1.020 -4.406 1.00 74.01 H new ATOM 1411 N THR A 117 -1.695 -5.664 -5.070 1.00 64.41 N ATOM 1412 CA THR A 117 -2.159 -6.725 -5.955 1.00 52.11 C ATOM 1413 C THR A 117 -3.682 -6.810 -5.958 1.00 65.24 C ATOM 1414 O THR A 117 -4.294 -7.220 -4.972 1.00 4.02 O ATOM 1415 CB THR A 117 -1.581 -8.092 -5.546 1.00 72.15 C ATOM 1416 OG1 THR A 117 -2.186 -9.132 -6.323 1.00 33.11 O ATOM 1417 CG2 THR A 117 -1.813 -8.357 -4.067 1.00 13.24 C ATOM 0 H THR A 117 -1.995 -5.763 -4.100 1.00 64.41 H new ATOM 0 HA THR A 117 -1.809 -6.477 -6.957 1.00 52.11 H new ATOM 0 HB THR A 117 -0.507 -8.078 -5.732 1.00 72.15 H new ATOM 0 HG1 THR A 117 -1.812 -9.998 -6.058 1.00 33.11 H new ATOM 0 HG21 THR A 117 -1.396 -9.329 -3.802 1.00 13.24 H new ATOM 0 HG22 THR A 117 -1.326 -7.580 -3.477 1.00 13.24 H new ATOM 0 HG23 THR A 117 -2.883 -8.353 -3.860 1.00 13.24 H new ATOM 1425 N LYS A 118 -4.289 -6.420 -7.074 1.00 72.44 N ATOM 1426 CA LYS A 118 -5.741 -6.455 -7.208 1.00 22.11 C ATOM 1427 C LYS A 118 -6.148 -6.962 -8.587 1.00 62.34 C ATOM 1428 O LYS A 118 -5.511 -6.643 -9.591 1.00 62.32 O ATOM 1429 CB LYS A 118 -6.328 -5.062 -6.971 1.00 72.02 C ATOM 1430 CG LYS A 118 -7.838 -5.004 -7.124 1.00 24.32 C ATOM 1431 CD LYS A 118 -8.245 -4.164 -8.323 1.00 12.43 C ATOM 1432 CE LYS A 118 -9.649 -4.511 -8.795 1.00 14.13 C ATOM 1433 NZ LYS A 118 -10.047 -3.712 -9.987 1.00 5.32 N ATOM 0 H LYS A 118 -3.798 -6.076 -7.899 1.00 72.44 H new ATOM 0 HA LYS A 118 -6.134 -7.141 -6.458 1.00 22.11 H new ATOM 0 HB2 LYS A 118 -6.060 -4.730 -5.968 1.00 72.02 H new ATOM 0 HB3 LYS A 118 -5.873 -4.361 -7.671 1.00 72.02 H new ATOM 0 HG2 LYS A 118 -8.232 -6.014 -7.235 1.00 24.32 H new ATOM 0 HG3 LYS A 118 -8.281 -4.587 -6.219 1.00 24.32 H new ATOM 0 HD2 LYS A 118 -8.199 -3.107 -8.061 1.00 12.43 H new ATOM 0 HD3 LYS A 118 -7.537 -4.322 -9.137 1.00 12.43 H new ATOM 0 HE2 LYS A 118 -9.699 -5.573 -9.036 1.00 14.13 H new ATOM 0 HE3 LYS A 118 -10.358 -4.334 -7.986 1.00 14.13 H new ATOM 0 HZ1 LYS A 118 -11.016 -3.966 -10.267 1.00 5.32 H new ATOM 0 HZ2 LYS A 118 -10.008 -2.699 -9.755 1.00 5.32 H new ATOM 0 HZ3 LYS A 118 -9.396 -3.913 -10.773 1.00 5.32 H new ATOM 1447 N THR A 119 -7.216 -7.754 -8.631 1.00 2.04 N ATOM 1448 CA THR A 119 -7.708 -8.305 -9.887 1.00 10.55 C ATOM 1449 C THR A 119 -7.880 -7.213 -10.937 1.00 1.24 C ATOM 1450 O THR A 119 -7.987 -6.027 -10.622 1.00 51.20 O ATOM 1451 CB THR A 119 -9.054 -9.030 -9.692 1.00 64.12 C ATOM 1452 OG1 THR A 119 -9.816 -8.382 -8.669 1.00 15.32 O ATOM 1453 CG2 THR A 119 -8.833 -10.488 -9.320 1.00 64.24 C ATOM 0 H THR A 119 -7.756 -8.028 -7.810 1.00 2.04 H new ATOM 0 HA THR A 119 -6.963 -9.022 -10.232 1.00 10.55 H new ATOM 0 HB THR A 119 -9.603 -8.990 -10.633 1.00 64.12 H new ATOM 0 HG1 THR A 119 -9.617 -8.794 -7.802 1.00 15.32 H new ATOM 0 HG21 THR A 119 -9.797 -10.980 -9.187 1.00 64.24 H new ATOM 0 HG22 THR A 119 -8.278 -10.986 -10.115 1.00 64.24 H new ATOM 0 HG23 THR A 119 -8.266 -10.545 -8.391 1.00 64.24 H new ATOM 1461 N PRO A 120 -7.907 -7.619 -12.214 1.00 54.04 N ATOM 1462 CA PRO A 120 -8.067 -6.689 -13.337 1.00 13.03 C ATOM 1463 C PRO A 120 -9.466 -6.087 -13.396 1.00 21.01 C ATOM 1464 O PRO A 120 -10.298 -6.340 -12.525 1.00 32.13 O ATOM 1465 CB PRO A 120 -7.811 -7.568 -14.564 1.00 61.21 C ATOM 1466 CG PRO A 120 -8.151 -8.948 -14.119 1.00 74.13 C ATOM 1467 CD PRO A 120 -7.785 -9.017 -12.662 1.00 3.41 C ATOM 0 HA PRO A 120 -7.394 -5.835 -13.259 1.00 13.03 H new ATOM 0 HB2 PRO A 120 -8.429 -7.260 -15.407 1.00 61.21 H new ATOM 0 HB3 PRO A 120 -6.773 -7.501 -14.889 1.00 61.21 H new ATOM 0 HG2 PRO A 120 -9.211 -9.155 -14.265 1.00 74.13 H new ATOM 0 HG3 PRO A 120 -7.599 -9.691 -14.695 1.00 74.13 H new ATOM 0 HD2 PRO A 120 -8.455 -9.676 -12.110 1.00 3.41 H new ATOM 0 HD3 PRO A 120 -6.774 -9.398 -12.519 1.00 3.41 H new ATOM 1475 N ALA A 121 -9.718 -5.288 -14.428 1.00 35.34 N ATOM 1476 CA ALA A 121 -11.018 -4.652 -14.601 1.00 54.52 C ATOM 1477 C ALA A 121 -11.889 -5.439 -15.575 1.00 14.14 C ATOM 1478 O ALA A 121 -13.109 -5.270 -15.606 1.00 4.12 O ATOM 1479 CB ALA A 121 -10.844 -3.219 -15.084 1.00 71.30 C ATOM 0 H ALA A 121 -9.039 -5.066 -15.156 1.00 35.34 H new ATOM 0 HA ALA A 121 -11.521 -4.639 -13.634 1.00 54.52 H new ATOM 0 HB1 ALA A 121 -11.823 -2.756 -15.209 1.00 71.30 H new ATOM 0 HB2 ALA A 121 -10.267 -2.655 -14.351 1.00 71.30 H new ATOM 0 HB3 ALA A 121 -10.318 -3.218 -16.038 1.00 71.30 H new