USER MOD reduce.3.24.130724 H: found=0, std=0, add=552, rem=0, adj=20 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= -0.902 X(o=-0.9,f=-1.3) USER MOD Set 1.2: A 114 SER OG : rot -150:sc= 0 USER MOD Set 2.1: A 47 THR OG1 : rot -179:sc= -1.55 USER MOD Set 2.2: A 83 SER OG : rot -160:sc= -0.619 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 97:sc= -0.706 USER MOD Single : A 39 LYS NZ :NH3+ 158:sc= -0.213 (180deg=-0.723) USER MOD Single : A 45 SER OG : rot 180:sc= -0.629 USER MOD Single : A 48 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN : amide:sc= -1.48 K(o=-1.5,f=-0.2) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot -100:sc= -1.18 USER MOD Single : A 76 HIS : no HE2:sc= -0.912 K(o=-0.91,f=-3!) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 165:sc= -1.06 (180deg=-1.56) USER MOD Single : A 90 THR OG1 : rot 31:sc= 0.86 USER MOD Single : A 93 LYS NZ :NH3+ -154:sc= -0.0721 (180deg=-0.372) USER MOD Single : A 96 GLN : amide:sc= -0.122 X(o=-0.12,f=-0.0039) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot 55:sc= 0.757 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 HIS : no HD1:sc= -0.13 X(o=-0.13,f=-0.047) USER MOD Single : A 115 MET CE :methyl -178:sc= 0 (180deg=-0.00343) USER MOD Single : A 116 THR OG1 : rot -140:sc= -1.23 USER MOD Single : A 117 THR OG1 : rot 180:sc= -0.659 USER MOD Single : A 118 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0301) USER MOD Single : A 119 THR OG1 : rot -90:sc= 0.0353 USER MOD ----------------------------------------------------------------- ATOM 153 N ALA A 35 1.034 6.397 8.602 1.00 41.13 N ATOM 154 CA ALA A 35 0.601 5.770 7.360 1.00 72.24 C ATOM 155 C ALA A 35 -0.636 4.905 7.584 1.00 42.31 C ATOM 156 O ALA A 35 -1.411 4.664 6.658 1.00 3.12 O ATOM 157 CB ALA A 35 1.728 4.938 6.767 1.00 20.01 C ATOM 0 HA ALA A 35 0.338 6.560 6.656 1.00 72.24 H new ATOM 0 HB1 ALA A 35 1.390 4.476 5.840 1.00 20.01 H new ATOM 0 HB2 ALA A 35 2.585 5.580 6.561 1.00 20.01 H new ATOM 0 HB3 ALA A 35 2.018 4.161 7.475 1.00 20.01 H new ATOM 163 N ILE A 36 -0.813 4.442 8.816 1.00 11.41 N ATOM 164 CA ILE A 36 -1.956 3.606 9.161 1.00 20.21 C ATOM 165 C ILE A 36 -3.262 4.241 8.698 1.00 43.32 C ATOM 166 O ILE A 36 -4.208 3.545 8.330 1.00 74.14 O ATOM 167 CB ILE A 36 -2.030 3.352 10.678 1.00 72.45 C ATOM 168 CG1 ILE A 36 -2.998 2.205 10.978 1.00 41.24 C ATOM 169 CG2 ILE A 36 -2.459 4.618 11.406 1.00 24.51 C ATOM 170 CD1 ILE A 36 -2.955 1.738 12.415 1.00 5.35 C ATOM 0 H ILE A 36 -0.179 4.632 9.593 1.00 11.41 H new ATOM 0 HA ILE A 36 -1.817 2.654 8.648 1.00 20.21 H new ATOM 0 HB ILE A 36 -1.039 3.069 11.034 1.00 72.45 H new ATOM 0 HG12 ILE A 36 -4.012 2.524 10.739 1.00 41.24 H new ATOM 0 HG13 ILE A 36 -2.766 1.364 10.324 1.00 41.24 H new ATOM 0 HG21 ILE A 36 -2.507 4.423 12.477 1.00 24.51 H new ATOM 0 HG22 ILE A 36 -1.736 5.411 11.213 1.00 24.51 H new ATOM 0 HG23 ILE A 36 -3.441 4.928 11.049 1.00 24.51 H new ATOM 0 HD11 ILE A 36 -3.666 0.924 12.554 1.00 5.35 H new ATOM 0 HD12 ILE A 36 -1.951 1.387 12.654 1.00 5.35 H new ATOM 0 HD13 ILE A 36 -3.217 2.565 13.074 1.00 5.35 H new ATOM 182 N LYS A 37 -3.306 5.569 8.716 1.00 53.11 N ATOM 183 CA LYS A 37 -4.496 6.302 8.296 1.00 61.42 C ATOM 184 C LYS A 37 -4.811 6.030 6.828 1.00 64.21 C ATOM 185 O LYS A 37 -5.971 5.858 6.454 1.00 21.40 O ATOM 186 CB LYS A 37 -4.300 7.802 8.517 1.00 13.43 C ATOM 187 CG LYS A 37 -4.922 8.313 9.805 1.00 52.11 C ATOM 188 CD LYS A 37 -6.440 8.252 9.755 1.00 71.53 C ATOM 189 CE LYS A 37 -7.065 9.589 10.118 1.00 35.10 C ATOM 190 NZ LYS A 37 -8.489 9.671 9.689 1.00 60.03 N ATOM 0 H LYS A 37 -2.531 6.160 9.017 1.00 53.11 H new ATOM 0 HA LYS A 37 -5.336 5.959 8.900 1.00 61.42 H new ATOM 0 HB2 LYS A 37 -3.233 8.023 8.526 1.00 13.43 H new ATOM 0 HB3 LYS A 37 -4.731 8.344 7.675 1.00 13.43 H new ATOM 0 HG2 LYS A 37 -4.561 7.719 10.645 1.00 52.11 H new ATOM 0 HG3 LYS A 37 -4.604 9.341 9.981 1.00 52.11 H new ATOM 0 HD2 LYS A 37 -6.760 7.959 8.755 1.00 71.53 H new ATOM 0 HD3 LYS A 37 -6.797 7.484 10.442 1.00 71.53 H new ATOM 0 HE2 LYS A 37 -7.001 9.739 11.196 1.00 35.10 H new ATOM 0 HE3 LYS A 37 -6.498 10.394 9.650 1.00 35.10 H new ATOM 0 HZ1 LYS A 37 -8.879 10.598 9.955 1.00 60.03 H new ATOM 0 HZ2 LYS A 37 -8.548 9.553 8.657 1.00 60.03 H new ATOM 0 HZ3 LYS A 37 -9.036 8.919 10.155 1.00 60.03 H new ATOM 204 N SER A 38 -3.771 5.992 6.001 1.00 4.35 N ATOM 205 CA SER A 38 -3.937 5.744 4.574 1.00 71.14 C ATOM 206 C SER A 38 -4.488 4.342 4.327 1.00 50.34 C ATOM 207 O SER A 38 -5.405 4.156 3.526 1.00 21.31 O ATOM 208 CB SER A 38 -2.602 5.914 3.846 1.00 50.31 C ATOM 209 OG SER A 38 -2.785 5.925 2.441 1.00 43.22 O ATOM 0 H SER A 38 -2.804 6.130 6.295 1.00 4.35 H new ATOM 0 HA SER A 38 -4.650 6.471 4.185 1.00 71.14 H new ATOM 0 HB2 SER A 38 -2.128 6.844 4.161 1.00 50.31 H new ATOM 0 HB3 SER A 38 -1.928 5.103 4.122 1.00 50.31 H new ATOM 0 HG SER A 38 -2.817 6.851 2.122 1.00 43.22 H new ATOM 215 N LYS A 39 -3.923 3.360 5.021 1.00 51.44 N ATOM 216 CA LYS A 39 -4.357 1.975 4.880 1.00 45.23 C ATOM 217 C LYS A 39 -5.804 1.809 5.334 1.00 43.40 C ATOM 218 O LYS A 39 -6.549 1.001 4.781 1.00 4.13 O ATOM 219 CB LYS A 39 -3.447 1.049 5.690 1.00 11.52 C ATOM 220 CG LYS A 39 -4.060 0.592 7.003 1.00 42.03 C ATOM 221 CD LYS A 39 -3.055 -0.168 7.852 1.00 15.50 C ATOM 222 CE LYS A 39 -3.698 -0.721 9.115 1.00 21.43 C ATOM 223 NZ LYS A 39 -2.681 -1.175 10.103 1.00 21.33 N ATOM 0 H LYS A 39 -3.163 3.498 5.687 1.00 51.44 H new ATOM 0 HA LYS A 39 -4.293 1.706 3.826 1.00 45.23 H new ATOM 0 HB2 LYS A 39 -3.204 0.174 5.088 1.00 11.52 H new ATOM 0 HB3 LYS A 39 -2.509 1.564 5.896 1.00 11.52 H new ATOM 0 HG2 LYS A 39 -4.425 1.457 7.556 1.00 42.03 H new ATOM 0 HG3 LYS A 39 -4.922 -0.044 6.801 1.00 42.03 H new ATOM 0 HD2 LYS A 39 -2.631 -0.986 7.270 1.00 15.50 H new ATOM 0 HD3 LYS A 39 -2.231 0.493 8.121 1.00 15.50 H new ATOM 0 HE2 LYS A 39 -4.327 0.046 9.568 1.00 21.43 H new ATOM 0 HE3 LYS A 39 -4.350 -1.555 8.855 1.00 21.43 H new ATOM 0 HZ1 LYS A 39 -3.103 -1.190 11.053 1.00 21.33 H new ATOM 0 HZ2 LYS A 39 -2.357 -2.131 9.853 1.00 21.33 H new ATOM 0 HZ3 LYS A 39 -1.872 -0.522 10.094 1.00 21.33 H new ATOM 237 N VAL A 40 -6.195 2.581 6.342 1.00 1.54 N ATOM 238 CA VAL A 40 -7.553 2.522 6.869 1.00 52.33 C ATOM 239 C VAL A 40 -8.572 2.917 5.805 1.00 21.40 C ATOM 240 O VAL A 40 -9.672 2.366 5.752 1.00 5.52 O ATOM 241 CB VAL A 40 -7.722 3.442 8.092 1.00 72.40 C ATOM 242 CG1 VAL A 40 -9.188 3.547 8.484 1.00 21.51 C ATOM 243 CG2 VAL A 40 -6.886 2.937 9.258 1.00 43.01 C ATOM 0 H VAL A 40 -5.590 3.255 6.811 1.00 1.54 H new ATOM 0 HA VAL A 40 -7.730 1.490 7.173 1.00 52.33 H new ATOM 0 HB VAL A 40 -7.370 4.438 7.826 1.00 72.40 H new ATOM 0 HG11 VAL A 40 -9.287 4.201 9.350 1.00 21.51 H new ATOM 0 HG12 VAL A 40 -9.759 3.958 7.651 1.00 21.51 H new ATOM 0 HG13 VAL A 40 -9.570 2.557 8.732 1.00 21.51 H new ATOM 0 HG21 VAL A 40 -7.018 3.599 10.114 1.00 43.01 H new ATOM 0 HG22 VAL A 40 -7.206 1.930 9.526 1.00 43.01 H new ATOM 0 HG23 VAL A 40 -5.835 2.919 8.971 1.00 43.01 H new ATOM 253 N GLU A 41 -8.198 3.872 4.960 1.00 23.31 N ATOM 254 CA GLU A 41 -9.080 4.339 3.898 1.00 43.00 C ATOM 255 C GLU A 41 -9.454 3.196 2.959 1.00 73.33 C ATOM 256 O GLU A 41 -10.588 3.113 2.486 1.00 32.04 O ATOM 257 CB GLU A 41 -8.411 5.464 3.106 1.00 10.45 C ATOM 258 CG GLU A 41 -7.821 6.557 3.983 1.00 0.54 C ATOM 259 CD GLU A 41 -8.724 6.925 5.145 1.00 63.43 C ATOM 260 OE1 GLU A 41 -9.649 7.738 4.941 1.00 3.44 O ATOM 261 OE2 GLU A 41 -8.506 6.399 6.256 1.00 5.11 O ATOM 0 H GLU A 41 -7.291 4.337 4.990 1.00 23.31 H new ATOM 0 HA GLU A 41 -9.991 4.721 4.360 1.00 43.00 H new ATOM 0 HB2 GLU A 41 -7.621 5.041 2.486 1.00 10.45 H new ATOM 0 HB3 GLU A 41 -9.143 5.907 2.431 1.00 10.45 H new ATOM 0 HG2 GLU A 41 -6.856 6.227 4.368 1.00 0.54 H new ATOM 0 HG3 GLU A 41 -7.636 7.444 3.377 1.00 0.54 H new ATOM 268 N ALA A 42 -8.493 2.318 2.692 1.00 52.31 N ATOM 269 CA ALA A 42 -8.722 1.179 1.812 1.00 64.34 C ATOM 270 C ALA A 42 -9.511 0.085 2.521 1.00 4.34 C ATOM 271 O ALA A 42 -10.147 -0.751 1.880 1.00 3.31 O ATOM 272 CB ALA A 42 -7.396 0.632 1.303 1.00 73.32 C ATOM 0 H ALA A 42 -7.548 2.374 3.073 1.00 52.31 H new ATOM 0 HA ALA A 42 -9.313 1.521 0.962 1.00 64.34 H new ATOM 0 HB1 ALA A 42 -7.581 -0.218 0.647 1.00 73.32 H new ATOM 0 HB2 ALA A 42 -6.870 1.410 0.749 1.00 73.32 H new ATOM 0 HB3 ALA A 42 -6.786 0.312 2.148 1.00 73.32 H new ATOM 278 N ALA A 43 -9.464 0.096 3.850 1.00 11.42 N ATOM 279 CA ALA A 43 -10.176 -0.895 4.647 1.00 73.11 C ATOM 280 C ALA A 43 -11.678 -0.826 4.396 1.00 73.23 C ATOM 281 O ALA A 43 -12.401 -1.800 4.616 1.00 42.14 O ATOM 282 CB ALA A 43 -9.878 -0.696 6.126 1.00 24.41 C ATOM 0 H ALA A 43 -8.941 0.780 4.396 1.00 11.42 H new ATOM 0 HA ALA A 43 -9.828 -1.883 4.346 1.00 73.11 H new ATOM 0 HB1 ALA A 43 -10.416 -1.443 6.709 1.00 24.41 H new ATOM 0 HB2 ALA A 43 -8.807 -0.803 6.299 1.00 24.41 H new ATOM 0 HB3 ALA A 43 -10.197 0.301 6.430 1.00 24.41 H new ATOM 288 N LEU A 44 -12.143 0.329 3.934 1.00 53.23 N ATOM 289 CA LEU A 44 -13.561 0.525 3.651 1.00 14.24 C ATOM 290 C LEU A 44 -14.046 -0.454 2.588 1.00 55.11 C ATOM 291 O LEU A 44 -15.193 -0.901 2.617 1.00 20.21 O ATOM 292 CB LEU A 44 -13.817 1.962 3.193 1.00 12.30 C ATOM 293 CG LEU A 44 -13.323 3.064 4.132 1.00 55.25 C ATOM 294 CD1 LEU A 44 -13.689 4.435 3.584 1.00 40.13 C ATOM 295 CD2 LEU A 44 -13.901 2.874 5.527 1.00 42.44 C ATOM 0 H LEU A 44 -11.559 1.144 3.747 1.00 53.23 H new ATOM 0 HA LEU A 44 -14.117 0.339 4.570 1.00 14.24 H new ATOM 0 HB2 LEU A 44 -13.344 2.102 2.221 1.00 12.30 H new ATOM 0 HB3 LEU A 44 -14.890 2.090 3.047 1.00 12.30 H new ATOM 0 HG LEU A 44 -12.237 2.999 4.198 1.00 55.25 H new ATOM 0 HD11 LEU A 44 -13.330 5.207 4.265 1.00 40.13 H new ATOM 0 HD12 LEU A 44 -13.228 4.571 2.606 1.00 40.13 H new ATOM 0 HD13 LEU A 44 -14.772 4.511 3.488 1.00 40.13 H new ATOM 0 HD21 LEU A 44 -13.539 3.667 6.182 1.00 42.44 H new ATOM 0 HD22 LEU A 44 -14.989 2.912 5.478 1.00 42.44 H new ATOM 0 HD23 LEU A 44 -13.589 1.907 5.921 1.00 42.44 H new ATOM 307 N SER A 45 -13.164 -0.786 1.650 1.00 2.43 N ATOM 308 CA SER A 45 -13.502 -1.711 0.575 1.00 2.35 C ATOM 309 C SER A 45 -13.023 -3.122 0.903 1.00 13.41 C ATOM 310 O SER A 45 -12.161 -3.330 1.757 1.00 64.21 O ATOM 311 CB SER A 45 -12.882 -1.244 -0.742 1.00 43.24 C ATOM 312 OG SER A 45 -13.884 -0.952 -1.702 1.00 61.41 O ATOM 0 H SER A 45 -12.210 -0.428 1.613 1.00 2.43 H new ATOM 0 HA SER A 45 -14.587 -1.728 0.471 1.00 2.35 H new ATOM 0 HB2 SER A 45 -12.273 -0.357 -0.567 1.00 43.24 H new ATOM 0 HB3 SER A 45 -12.217 -2.016 -1.129 1.00 43.24 H new ATOM 0 HG SER A 45 -13.462 -0.654 -2.535 1.00 61.41 H new ATOM 318 N PRO A 46 -13.596 -4.116 0.209 1.00 63.34 N ATOM 319 CA PRO A 46 -13.245 -5.525 0.408 1.00 65.23 C ATOM 320 C PRO A 46 -11.842 -5.850 -0.097 1.00 53.33 C ATOM 321 O PRO A 46 -11.623 -6.003 -1.300 1.00 23.04 O ATOM 322 CB PRO A 46 -14.295 -6.273 -0.417 1.00 41.23 C ATOM 323 CG PRO A 46 -14.719 -5.300 -1.463 1.00 11.24 C ATOM 324 CD PRO A 46 -14.631 -3.942 -0.824 1.00 2.40 C ATOM 0 HA PRO A 46 -13.239 -5.798 1.463 1.00 65.23 H new ATOM 0 HB2 PRO A 46 -13.878 -7.176 -0.862 1.00 41.23 H new ATOM 0 HB3 PRO A 46 -15.138 -6.582 0.201 1.00 41.23 H new ATOM 0 HG2 PRO A 46 -14.073 -5.362 -2.339 1.00 11.24 H new ATOM 0 HG3 PRO A 46 -15.734 -5.508 -1.801 1.00 11.24 H new ATOM 0 HD2 PRO A 46 -14.352 -3.175 -1.547 1.00 2.40 H new ATOM 0 HD3 PRO A 46 -15.584 -3.640 -0.390 1.00 2.40 H new ATOM 332 N THR A 47 -10.894 -5.953 0.829 1.00 62.34 N ATOM 333 CA THR A 47 -9.513 -6.258 0.478 1.00 21.31 C ATOM 334 C THR A 47 -8.650 -6.413 1.724 1.00 33.22 C ATOM 335 O THR A 47 -9.162 -6.481 2.842 1.00 74.01 O ATOM 336 CB THR A 47 -8.906 -5.163 -0.420 1.00 32.24 C ATOM 337 OG1 THR A 47 -7.656 -5.608 -0.959 1.00 34.52 O ATOM 338 CG2 THR A 47 -8.696 -3.876 0.364 1.00 51.24 C ATOM 0 H THR A 47 -11.058 -5.830 1.828 1.00 62.34 H new ATOM 0 HA THR A 47 -9.528 -7.200 -0.070 1.00 21.31 H new ATOM 0 HB THR A 47 -9.602 -4.965 -1.235 1.00 32.24 H new ATOM 0 HG1 THR A 47 -7.270 -4.901 -1.517 1.00 34.52 H new ATOM 0 HG21 THR A 47 -8.267 -3.117 -0.290 1.00 51.24 H new ATOM 0 HG22 THR A 47 -9.653 -3.524 0.749 1.00 51.24 H new ATOM 0 HG23 THR A 47 -8.017 -4.064 1.196 1.00 51.24 H new ATOM 346 N HIS A 48 -7.336 -6.468 1.527 1.00 52.00 N ATOM 347 CA HIS A 48 -6.401 -6.615 2.637 1.00 14.43 C ATOM 348 C HIS A 48 -5.334 -5.524 2.596 1.00 71.35 C ATOM 349 O HIS A 48 -4.855 -5.151 1.525 1.00 72.23 O ATOM 350 CB HIS A 48 -5.742 -7.992 2.597 1.00 25.44 C ATOM 351 CG HIS A 48 -5.229 -8.450 3.929 1.00 41.53 C ATOM 352 ND1 HIS A 48 -3.935 -8.231 4.353 1.00 45.22 N ATOM 353 CD2 HIS A 48 -5.845 -9.116 4.933 1.00 1.14 C ATOM 354 CE1 HIS A 48 -3.777 -8.744 5.559 1.00 63.02 C ATOM 355 NE2 HIS A 48 -4.920 -9.286 5.935 1.00 55.32 N ATOM 0 H HIS A 48 -6.895 -6.413 0.609 1.00 52.00 H new ATOM 0 HA HIS A 48 -6.960 -6.516 3.567 1.00 14.43 H new ATOM 0 HB2 HIS A 48 -6.463 -8.720 2.225 1.00 25.44 H new ATOM 0 HB3 HIS A 48 -4.916 -7.970 1.887 1.00 25.44 H new ATOM 0 HD2 HIS A 48 -6.872 -9.451 4.945 1.00 1.14 H new ATOM 0 HE1 HIS A 48 -2.867 -8.724 6.140 1.00 63.02 H new ATOM 0 HE2 HIS A 48 -5.089 -9.755 6.825 1.00 55.32 H new ATOM 363 N PHE A 49 -4.968 -5.017 3.768 1.00 22.21 N ATOM 364 CA PHE A 49 -3.959 -3.969 3.864 1.00 24.15 C ATOM 365 C PHE A 49 -2.888 -4.338 4.887 1.00 72.23 C ATOM 366 O PHE A 49 -3.196 -4.722 6.016 1.00 13.11 O ATOM 367 CB PHE A 49 -4.610 -2.639 4.250 1.00 50.14 C ATOM 368 CG PHE A 49 -5.661 -2.771 5.314 1.00 73.40 C ATOM 369 CD1 PHE A 49 -6.970 -3.077 4.979 1.00 72.14 C ATOM 370 CD2 PHE A 49 -5.340 -2.591 6.649 1.00 2.42 C ATOM 371 CE1 PHE A 49 -7.941 -3.201 5.956 1.00 22.34 C ATOM 372 CE2 PHE A 49 -6.306 -2.713 7.631 1.00 42.31 C ATOM 373 CZ PHE A 49 -7.607 -3.018 7.284 1.00 2.41 C ATOM 0 H PHE A 49 -5.355 -5.314 4.664 1.00 22.21 H new ATOM 0 HA PHE A 49 -3.485 -3.865 2.888 1.00 24.15 H new ATOM 0 HB2 PHE A 49 -3.837 -1.953 4.597 1.00 50.14 H new ATOM 0 HB3 PHE A 49 -5.058 -2.192 3.362 1.00 50.14 H new ATOM 0 HD1 PHE A 49 -7.235 -3.220 3.942 1.00 72.14 H new ATOM 0 HD2 PHE A 49 -4.324 -2.353 6.926 1.00 2.42 H new ATOM 0 HE1 PHE A 49 -8.958 -3.440 5.681 1.00 22.34 H new ATOM 0 HE2 PHE A 49 -6.043 -2.570 8.669 1.00 42.31 H new ATOM 0 HZ PHE A 49 -8.363 -3.113 8.050 1.00 2.41 H new ATOM 383 N LYS A 50 -1.627 -4.220 4.484 1.00 72.20 N ATOM 384 CA LYS A 50 -0.509 -4.540 5.363 1.00 61.15 C ATOM 385 C LYS A 50 0.480 -3.381 5.429 1.00 51.42 C ATOM 386 O LYS A 50 1.144 -3.061 4.442 1.00 63.10 O ATOM 387 CB LYS A 50 0.203 -5.804 4.876 1.00 31.42 C ATOM 388 CG LYS A 50 1.642 -5.913 5.351 1.00 43.30 C ATOM 389 CD LYS A 50 2.263 -7.240 4.950 1.00 52.41 C ATOM 390 CE LYS A 50 2.331 -8.202 6.127 1.00 61.24 C ATOM 391 NZ LYS A 50 1.682 -9.505 5.815 1.00 72.34 N ATOM 0 H LYS A 50 -1.354 -3.905 3.553 1.00 72.20 H new ATOM 0 HA LYS A 50 -0.904 -4.715 6.364 1.00 61.15 H new ATOM 0 HB2 LYS A 50 -0.351 -6.678 5.219 1.00 31.42 H new ATOM 0 HB3 LYS A 50 0.186 -5.823 3.786 1.00 31.42 H new ATOM 0 HG2 LYS A 50 2.227 -5.095 4.931 1.00 43.30 H new ATOM 0 HG3 LYS A 50 1.677 -5.807 6.435 1.00 43.30 H new ATOM 0 HD2 LYS A 50 1.679 -7.688 4.146 1.00 52.41 H new ATOM 0 HD3 LYS A 50 3.266 -7.070 4.559 1.00 52.41 H new ATOM 0 HE2 LYS A 50 3.373 -8.371 6.399 1.00 61.24 H new ATOM 0 HE3 LYS A 50 1.845 -7.752 6.993 1.00 61.24 H new ATOM 0 HZ1 LYS A 50 1.749 -10.133 6.641 1.00 72.34 H new ATOM 0 HZ2 LYS A 50 0.681 -9.347 5.580 1.00 72.34 H new ATOM 0 HZ3 LYS A 50 2.162 -9.947 5.005 1.00 72.34 H new ATOM 405 N LEU A 51 0.573 -2.754 6.597 1.00 24.31 N ATOM 406 CA LEU A 51 1.483 -1.631 6.792 1.00 1.30 C ATOM 407 C LEU A 51 2.374 -1.857 8.009 1.00 12.02 C ATOM 408 O LEU A 51 1.892 -1.916 9.141 1.00 73.20 O ATOM 409 CB LEU A 51 0.693 -0.332 6.958 1.00 35.11 C ATOM 410 CG LEU A 51 1.518 0.954 7.014 1.00 63.10 C ATOM 411 CD1 LEU A 51 1.036 1.944 5.965 1.00 0.33 C ATOM 412 CD2 LEU A 51 1.451 1.570 8.403 1.00 4.52 C ATOM 0 H LEU A 51 0.029 -3.004 7.423 1.00 24.31 H new ATOM 0 HA LEU A 51 2.118 -1.552 5.910 1.00 1.30 H new ATOM 0 HB2 LEU A 51 -0.013 -0.251 6.131 1.00 35.11 H new ATOM 0 HB3 LEU A 51 0.105 -0.403 7.873 1.00 35.11 H new ATOM 0 HG LEU A 51 2.557 0.706 6.798 1.00 63.10 H new ATOM 0 HD11 LEU A 51 1.635 2.853 6.020 1.00 0.33 H new ATOM 0 HD12 LEU A 51 1.138 1.502 4.974 1.00 0.33 H new ATOM 0 HD13 LEU A 51 -0.011 2.188 6.148 1.00 0.33 H new ATOM 0 HD21 LEU A 51 2.044 2.484 8.424 1.00 4.52 H new ATOM 0 HD22 LEU A 51 0.415 1.803 8.648 1.00 4.52 H new ATOM 0 HD23 LEU A 51 1.846 0.864 9.134 1.00 4.52 H new ATOM 424 N ILE A 52 3.676 -1.979 7.769 1.00 33.52 N ATOM 425 CA ILE A 52 4.633 -2.196 8.846 1.00 13.44 C ATOM 426 C ILE A 52 5.819 -1.245 8.726 1.00 53.51 C ATOM 427 O ILE A 52 6.566 -1.288 7.749 1.00 15.14 O ATOM 428 CB ILE A 52 5.152 -3.645 8.857 1.00 34.11 C ATOM 429 CG1 ILE A 52 5.780 -3.995 7.507 1.00 22.31 C ATOM 430 CG2 ILE A 52 4.022 -4.610 9.187 1.00 0.13 C ATOM 431 CD1 ILE A 52 7.291 -4.064 7.544 1.00 71.42 C ATOM 0 H ILE A 52 4.091 -1.931 6.839 1.00 33.52 H new ATOM 0 HA ILE A 52 4.105 -2.002 9.780 1.00 13.44 H new ATOM 0 HB ILE A 52 5.918 -3.735 9.627 1.00 34.11 H new ATOM 0 HG12 ILE A 52 5.388 -4.955 7.171 1.00 22.31 H new ATOM 0 HG13 ILE A 52 5.476 -3.252 6.770 1.00 22.31 H new ATOM 0 HG21 ILE A 52 4.405 -5.631 9.191 1.00 0.13 H new ATOM 0 HG22 ILE A 52 3.615 -4.371 10.170 1.00 0.13 H new ATOM 0 HG23 ILE A 52 3.236 -4.520 8.437 1.00 0.13 H new ATOM 0 HD11 ILE A 52 7.668 -4.317 6.553 1.00 71.42 H new ATOM 0 HD12 ILE A 52 7.692 -3.098 7.849 1.00 71.42 H new ATOM 0 HD13 ILE A 52 7.603 -4.828 8.256 1.00 71.42 H new ATOM 443 N ASN A 53 5.987 -0.386 9.728 1.00 70.14 N ATOM 444 CA ASN A 53 7.083 0.576 9.735 1.00 62.42 C ATOM 445 C ASN A 53 8.098 0.235 10.822 1.00 40.23 C ATOM 446 O ASN A 53 7.758 0.167 12.003 1.00 24.41 O ATOM 447 CB ASN A 53 6.546 1.991 9.948 1.00 52.41 C ATOM 448 CG ASN A 53 5.172 1.998 10.592 1.00 64.41 C ATOM 449 OD1 ASN A 53 5.046 2.137 11.808 1.00 32.44 O ATOM 450 ND2 ASN A 53 4.136 1.847 9.776 1.00 62.33 N ATOM 0 H ASN A 53 5.378 -0.337 10.545 1.00 70.14 H new ATOM 0 HA ASN A 53 7.583 0.527 8.768 1.00 62.42 H new ATOM 0 HB2 ASN A 53 7.241 2.550 10.575 1.00 52.41 H new ATOM 0 HB3 ASN A 53 6.497 2.506 8.989 1.00 52.41 H new ATOM 0 HD21 ASN A 53 3.188 1.843 10.151 1.00 62.33 H new ATOM 0 HD22 ASN A 53 4.288 1.735 8.774 1.00 62.33 H new ATOM 457 N ASP A 54 9.344 0.023 10.414 1.00 32.33 N ATOM 458 CA ASP A 54 10.410 -0.308 11.353 1.00 63.30 C ATOM 459 C ASP A 54 11.342 0.881 11.559 1.00 61.21 C ATOM 460 O ASP A 54 12.540 0.711 11.785 1.00 53.50 O ATOM 461 CB ASP A 54 11.205 -1.514 10.849 1.00 33.30 C ATOM 462 CG ASP A 54 11.355 -2.591 11.906 1.00 41.31 C ATOM 463 OD1 ASP A 54 10.412 -3.394 12.074 1.00 44.52 O ATOM 464 OD2 ASP A 54 12.415 -2.631 12.565 1.00 33.12 O ATOM 0 H ASP A 54 9.641 0.074 9.440 1.00 32.33 H new ATOM 0 HA ASP A 54 9.953 -0.558 12.311 1.00 63.30 H new ATOM 0 HB2 ASP A 54 10.708 -1.934 9.975 1.00 33.30 H new ATOM 0 HB3 ASP A 54 12.193 -1.185 10.527 1.00 33.30 H new ATOM 469 N SER A 55 10.784 2.085 11.477 1.00 34.32 N ATOM 470 CA SER A 55 11.567 3.303 11.651 1.00 53.44 C ATOM 471 C SER A 55 12.376 3.250 12.942 1.00 24.02 C ATOM 472 O SER A 55 11.996 2.576 13.900 1.00 3.24 O ATOM 473 CB SER A 55 10.648 4.527 11.662 1.00 42.34 C ATOM 474 OG SER A 55 11.338 5.678 12.116 1.00 0.41 O ATOM 0 H SER A 55 9.794 2.243 11.291 1.00 34.32 H new ATOM 0 HA SER A 55 12.259 3.383 10.813 1.00 53.44 H new ATOM 0 HB2 SER A 55 10.260 4.704 10.659 1.00 42.34 H new ATOM 0 HB3 SER A 55 9.790 4.336 12.306 1.00 42.34 H new ATOM 0 HG SER A 55 10.730 6.447 12.112 1.00 0.41 H new ATOM 734 N THR A 75 15.297 0.270 3.602 1.00 1.54 N ATOM 735 CA THR A 75 13.882 0.520 3.850 1.00 24.23 C ATOM 736 C THR A 75 13.411 -0.196 5.110 1.00 52.42 C ATOM 737 O THR A 75 13.762 -1.351 5.348 1.00 24.25 O ATOM 738 CB THR A 75 13.016 0.068 2.660 1.00 24.43 C ATOM 739 OG1 THR A 75 12.623 -1.299 2.832 1.00 41.42 O ATOM 740 CG2 THR A 75 13.773 0.222 1.349 1.00 20.24 C ATOM 0 HA THR A 75 13.768 1.596 3.984 1.00 24.23 H new ATOM 0 HB THR A 75 12.129 0.700 2.624 1.00 24.43 H new ATOM 0 HG1 THR A 75 13.200 -1.876 2.290 1.00 41.42 H new ATOM 0 HG21 THR A 75 13.140 -0.104 0.523 1.00 20.24 H new ATOM 0 HG22 THR A 75 14.045 1.268 1.207 1.00 20.24 H new ATOM 0 HG23 THR A 75 14.676 -0.388 1.377 1.00 20.24 H new ATOM 748 N HIS A 76 12.609 0.497 5.913 1.00 1.12 N ATOM 749 CA HIS A 76 12.087 -0.075 7.150 1.00 51.13 C ATOM 750 C HIS A 76 10.562 -0.106 7.132 1.00 12.44 C ATOM 751 O HIS A 76 9.937 -0.846 7.891 1.00 12.25 O ATOM 752 CB HIS A 76 12.579 0.727 8.355 1.00 61.14 C ATOM 753 CG HIS A 76 14.066 0.696 8.528 1.00 51.31 C ATOM 754 ND1 HIS A 76 14.889 -0.158 7.826 1.00 72.34 N ATOM 755 CD2 HIS A 76 14.879 1.425 9.329 1.00 21.51 C ATOM 756 CE1 HIS A 76 16.143 0.043 8.188 1.00 34.31 C ATOM 757 NE2 HIS A 76 16.165 0.999 9.100 1.00 74.24 N ATOM 0 H HIS A 76 12.307 1.454 5.730 1.00 1.12 H new ATOM 0 HA HIS A 76 12.453 -1.099 7.231 1.00 51.13 H new ATOM 0 HB2 HIS A 76 12.255 1.762 8.249 1.00 61.14 H new ATOM 0 HB3 HIS A 76 12.108 0.337 9.257 1.00 61.14 H new ATOM 0 HD1 HIS A 76 14.578 -0.840 7.134 1.00 72.34 H new ATOM 0 HD2 HIS A 76 14.573 2.197 10.019 1.00 21.51 H new ATOM 0 HE1 HIS A 76 17.004 -0.484 7.804 1.00 34.31 H new ATOM 765 N PHE A 77 9.969 0.704 6.261 1.00 61.12 N ATOM 766 CA PHE A 77 8.517 0.772 6.145 1.00 34.24 C ATOM 767 C PHE A 77 8.052 0.224 4.800 1.00 53.15 C ATOM 768 O PHE A 77 8.655 0.502 3.763 1.00 51.22 O ATOM 769 CB PHE A 77 8.036 2.214 6.316 1.00 61.23 C ATOM 770 CG PHE A 77 6.771 2.517 5.564 1.00 11.13 C ATOM 771 CD1 PHE A 77 5.595 1.849 5.864 1.00 44.21 C ATOM 772 CD2 PHE A 77 6.758 3.470 4.559 1.00 61.43 C ATOM 773 CE1 PHE A 77 4.429 2.125 5.176 1.00 51.23 C ATOM 774 CE2 PHE A 77 5.596 3.751 3.867 1.00 52.33 C ATOM 775 CZ PHE A 77 4.430 3.077 4.175 1.00 20.01 C ATOM 0 H PHE A 77 10.472 1.323 5.625 1.00 61.12 H new ATOM 0 HA PHE A 77 8.086 0.158 6.936 1.00 34.24 H new ATOM 0 HB2 PHE A 77 7.876 2.412 7.376 1.00 61.23 H new ATOM 0 HB3 PHE A 77 8.820 2.892 5.980 1.00 61.23 H new ATOM 0 HD1 PHE A 77 5.590 1.103 6.645 1.00 44.21 H new ATOM 0 HD2 PHE A 77 7.667 3.999 4.314 1.00 61.43 H new ATOM 0 HE1 PHE A 77 3.519 1.598 5.420 1.00 51.23 H new ATOM 0 HE2 PHE A 77 5.599 4.497 3.086 1.00 52.33 H new ATOM 0 HZ PHE A 77 3.521 3.294 3.634 1.00 20.01 H new ATOM 785 N ARG A 78 6.976 -0.557 4.824 1.00 3.32 N ATOM 786 CA ARG A 78 6.432 -1.145 3.607 1.00 34.30 C ATOM 787 C ARG A 78 4.911 -1.243 3.683 1.00 34.34 C ATOM 788 O ARG A 78 4.354 -1.637 4.710 1.00 44.20 O ATOM 789 CB ARG A 78 7.031 -2.533 3.372 1.00 3.54 C ATOM 790 CG ARG A 78 6.169 -3.666 3.903 1.00 72.23 C ATOM 791 CD ARG A 78 6.965 -4.956 4.036 1.00 72.24 C ATOM 792 NE ARG A 78 7.427 -5.449 2.741 1.00 4.42 N ATOM 793 CZ ARG A 78 8.256 -6.477 2.600 1.00 34.22 C ATOM 794 NH1 ARG A 78 8.710 -7.119 3.669 1.00 54.13 N ATOM 795 NH2 ARG A 78 8.632 -6.868 1.389 1.00 0.30 N ATOM 0 H ARG A 78 6.465 -0.797 5.673 1.00 3.32 H new ATOM 0 HA ARG A 78 6.697 -0.497 2.772 1.00 34.30 H new ATOM 0 HB2 ARG A 78 7.186 -2.676 2.303 1.00 3.54 H new ATOM 0 HB3 ARG A 78 8.012 -2.581 3.846 1.00 3.54 H new ATOM 0 HG2 ARG A 78 5.759 -3.388 4.874 1.00 72.23 H new ATOM 0 HG3 ARG A 78 5.324 -3.826 3.234 1.00 72.23 H new ATOM 0 HD2 ARG A 78 7.823 -4.787 4.687 1.00 72.24 H new ATOM 0 HD3 ARG A 78 6.347 -5.716 4.514 1.00 72.24 H new ATOM 0 HE ARG A 78 7.095 -4.978 1.899 1.00 4.42 H new ATOM 0 HH11 ARG A 78 8.422 -6.823 4.602 1.00 54.13 H new ATOM 0 HH12 ARG A 78 9.347 -7.908 3.558 1.00 54.13 H new ATOM 0 HH21 ARG A 78 8.284 -6.379 0.564 1.00 0.30 H new ATOM 0 HH22 ARG A 78 9.269 -7.658 1.283 1.00 0.30 H new ATOM 809 N LEU A 79 4.243 -0.883 2.593 1.00 23.44 N ATOM 810 CA LEU A 79 2.787 -0.930 2.537 1.00 61.42 C ATOM 811 C LEU A 79 2.314 -1.716 1.318 1.00 42.21 C ATOM 812 O LEU A 79 2.645 -1.377 0.183 1.00 43.43 O ATOM 813 CB LEU A 79 2.212 0.487 2.498 1.00 41.51 C ATOM 814 CG LEU A 79 0.687 0.594 2.512 1.00 50.24 C ATOM 815 CD1 LEU A 79 0.130 0.452 1.104 1.00 74.51 C ATOM 816 CD2 LEU A 79 0.087 -0.458 3.434 1.00 44.20 C ATOM 0 H LEU A 79 4.687 -0.555 1.735 1.00 23.44 H new ATOM 0 HA LEU A 79 2.430 -1.436 3.434 1.00 61.42 H new ATOM 0 HB2 LEU A 79 2.603 1.040 3.353 1.00 41.51 H new ATOM 0 HB3 LEU A 79 2.583 0.983 1.601 1.00 41.51 H new ATOM 0 HG LEU A 79 0.414 1.579 2.891 1.00 50.24 H new ATOM 0 HD11 LEU A 79 -0.957 0.531 1.133 1.00 74.51 H new ATOM 0 HD12 LEU A 79 0.534 1.242 0.471 1.00 74.51 H new ATOM 0 HD13 LEU A 79 0.413 -0.519 0.697 1.00 74.51 H new ATOM 0 HD21 LEU A 79 -0.999 -0.367 3.432 1.00 44.20 H new ATOM 0 HD22 LEU A 79 0.369 -1.451 3.085 1.00 44.20 H new ATOM 0 HD23 LEU A 79 0.461 -0.310 4.447 1.00 44.20 H new ATOM 828 N GLU A 80 1.536 -2.767 1.563 1.00 43.44 N ATOM 829 CA GLU A 80 1.018 -3.599 0.483 1.00 14.53 C ATOM 830 C GLU A 80 -0.449 -3.947 0.722 1.00 10.12 C ATOM 831 O GLU A 80 -0.878 -4.127 1.862 1.00 75.12 O ATOM 832 CB GLU A 80 1.843 -4.881 0.357 1.00 43.34 C ATOM 833 CG GLU A 80 1.833 -5.738 1.611 1.00 53.32 C ATOM 834 CD GLU A 80 0.882 -6.914 1.506 1.00 74.22 C ATOM 835 OE1 GLU A 80 -0.342 -6.699 1.625 1.00 35.25 O ATOM 836 OE2 GLU A 80 1.361 -8.050 1.305 1.00 24.24 O ATOM 0 H GLU A 80 1.252 -3.061 2.497 1.00 43.44 H new ATOM 0 HA GLU A 80 1.094 -3.034 -0.446 1.00 14.53 H new ATOM 0 HB2 GLU A 80 1.460 -5.469 -0.477 1.00 43.34 H new ATOM 0 HB3 GLU A 80 2.873 -4.618 0.115 1.00 43.34 H new ATOM 0 HG2 GLU A 80 2.841 -6.106 1.803 1.00 53.32 H new ATOM 0 HG3 GLU A 80 1.551 -5.122 2.465 1.00 53.32 H new ATOM 843 N VAL A 81 -1.213 -4.039 -0.361 1.00 53.35 N ATOM 844 CA VAL A 81 -2.632 -4.365 -0.271 1.00 22.11 C ATOM 845 C VAL A 81 -2.988 -5.529 -1.189 1.00 3.31 C ATOM 846 O VAL A 81 -2.544 -5.587 -2.337 1.00 40.32 O ATOM 847 CB VAL A 81 -3.511 -3.153 -0.632 1.00 22.14 C ATOM 848 CG1 VAL A 81 -3.007 -1.900 0.068 1.00 21.02 C ATOM 849 CG2 VAL A 81 -3.547 -2.952 -2.139 1.00 41.04 C ATOM 0 H VAL A 81 -0.874 -3.892 -1.312 1.00 53.35 H new ATOM 0 HA VAL A 81 -2.826 -4.649 0.763 1.00 22.11 H new ATOM 0 HB VAL A 81 -4.527 -3.348 -0.289 1.00 22.14 H new ATOM 0 HG11 VAL A 81 -3.640 -1.054 -0.199 1.00 21.02 H new ATOM 0 HG12 VAL A 81 -3.037 -2.049 1.147 1.00 21.02 H new ATOM 0 HG13 VAL A 81 -1.982 -1.698 -0.242 1.00 21.02 H new ATOM 0 HG21 VAL A 81 -4.173 -2.092 -2.376 1.00 41.04 H new ATOM 0 HG22 VAL A 81 -2.536 -2.778 -2.507 1.00 41.04 H new ATOM 0 HG23 VAL A 81 -3.958 -3.842 -2.615 1.00 41.04 H new ATOM 859 N THR A 82 -3.791 -6.455 -0.677 1.00 73.33 N ATOM 860 CA THR A 82 -4.207 -7.618 -1.451 1.00 51.11 C ATOM 861 C THR A 82 -5.724 -7.669 -1.596 1.00 12.22 C ATOM 862 O THR A 82 -6.444 -7.855 -0.615 1.00 53.31 O ATOM 863 CB THR A 82 -3.721 -8.927 -0.801 1.00 61.40 C ATOM 864 OG1 THR A 82 -2.303 -8.882 -0.608 1.00 3.51 O ATOM 865 CG2 THR A 82 -4.081 -10.127 -1.665 1.00 64.11 C ATOM 0 H THR A 82 -4.167 -6.423 0.271 1.00 73.33 H new ATOM 0 HA THR A 82 -3.754 -7.520 -2.438 1.00 51.11 H new ATOM 0 HB THR A 82 -4.216 -9.032 0.164 1.00 61.40 H new ATOM 0 HG1 THR A 82 -2.003 -9.717 -0.193 1.00 3.51 H new ATOM 0 HG21 THR A 82 -3.728 -11.040 -1.185 1.00 64.11 H new ATOM 0 HG22 THR A 82 -5.163 -10.176 -1.786 1.00 64.11 H new ATOM 0 HG23 THR A 82 -3.611 -10.025 -2.643 1.00 64.11 H new ATOM 873 N SER A 83 -6.202 -7.503 -2.825 1.00 32.50 N ATOM 874 CA SER A 83 -7.635 -7.528 -3.098 1.00 3.24 C ATOM 875 C SER A 83 -8.008 -8.745 -3.937 1.00 65.33 C ATOM 876 O SER A 83 -7.744 -8.788 -5.140 1.00 13.15 O ATOM 877 CB SER A 83 -8.060 -6.247 -3.818 1.00 23.23 C ATOM 878 OG SER A 83 -7.001 -5.305 -3.852 1.00 65.44 O ATOM 0 H SER A 83 -5.619 -7.350 -3.648 1.00 32.50 H new ATOM 0 HA SER A 83 -8.160 -7.592 -2.145 1.00 3.24 H new ATOM 0 HB2 SER A 83 -8.372 -6.484 -4.835 1.00 23.23 H new ATOM 0 HB3 SER A 83 -8.922 -5.811 -3.313 1.00 23.23 H new ATOM 0 HG SER A 83 -7.364 -4.410 -4.017 1.00 65.44 H new ATOM 884 N ASP A 84 -8.621 -9.733 -3.297 1.00 12.25 N ATOM 885 CA ASP A 84 -9.031 -10.952 -3.983 1.00 53.03 C ATOM 886 C ASP A 84 -7.819 -11.793 -4.369 1.00 25.32 C ATOM 887 O ASP A 84 -7.948 -12.814 -5.045 1.00 53.53 O ATOM 888 CB ASP A 84 -9.848 -10.610 -5.231 1.00 32.02 C ATOM 889 CG ASP A 84 -10.747 -9.408 -5.021 1.00 42.33 C ATOM 890 OD1 ASP A 84 -11.844 -9.579 -4.450 1.00 62.42 O ATOM 891 OD2 ASP A 84 -10.354 -8.294 -5.430 1.00 34.30 O ATOM 0 H ASP A 84 -8.846 -9.714 -2.302 1.00 12.25 H new ATOM 0 HA ASP A 84 -9.651 -11.533 -3.300 1.00 53.03 H new ATOM 0 HB2 ASP A 84 -9.171 -10.413 -6.062 1.00 32.02 H new ATOM 0 HB3 ASP A 84 -10.456 -11.470 -5.511 1.00 32.02 H new ATOM 896 N ALA A 85 -6.641 -11.358 -3.934 1.00 65.22 N ATOM 897 CA ALA A 85 -5.406 -12.072 -4.233 1.00 43.31 C ATOM 898 C ALA A 85 -5.318 -12.422 -5.715 1.00 54.02 C ATOM 899 O ALA A 85 -5.664 -13.532 -6.121 1.00 41.32 O ATOM 900 CB ALA A 85 -5.304 -13.330 -3.384 1.00 45.52 C ATOM 0 H ALA A 85 -6.516 -10.515 -3.374 1.00 65.22 H new ATOM 0 HA ALA A 85 -4.570 -11.416 -3.992 1.00 43.31 H new ATOM 0 HB1 ALA A 85 -4.377 -13.853 -3.618 1.00 45.52 H new ATOM 0 HB2 ALA A 85 -5.311 -13.058 -2.328 1.00 45.52 H new ATOM 0 HB3 ALA A 85 -6.152 -13.982 -3.596 1.00 45.52 H new ATOM 906 N PHE A 86 -4.856 -11.469 -6.518 1.00 35.31 N ATOM 907 CA PHE A 86 -4.727 -11.678 -7.955 1.00 64.32 C ATOM 908 C PHE A 86 -4.214 -10.416 -8.644 1.00 33.12 C ATOM 909 O PHE A 86 -4.995 -9.548 -9.035 1.00 4.32 O ATOM 910 CB PHE A 86 -6.071 -12.090 -8.557 1.00 34.45 C ATOM 911 CG PHE A 86 -6.071 -13.477 -9.133 1.00 44.00 C ATOM 912 CD1 PHE A 86 -5.089 -13.869 -10.029 1.00 3.41 C ATOM 913 CD2 PHE A 86 -7.052 -14.389 -8.779 1.00 62.40 C ATOM 914 CE1 PHE A 86 -5.087 -15.143 -10.561 1.00 30.31 C ATOM 915 CE2 PHE A 86 -7.055 -15.666 -9.308 1.00 43.24 C ATOM 916 CZ PHE A 86 -6.069 -16.044 -10.200 1.00 54.33 C ATOM 0 H PHE A 86 -4.565 -10.545 -6.198 1.00 35.31 H new ATOM 0 HA PHE A 86 -4.005 -12.479 -8.116 1.00 64.32 H new ATOM 0 HB2 PHE A 86 -6.840 -12.025 -7.787 1.00 34.45 H new ATOM 0 HB3 PHE A 86 -6.342 -11.381 -9.339 1.00 34.45 H new ATOM 0 HD1 PHE A 86 -4.317 -13.170 -10.314 1.00 3.41 H new ATOM 0 HD2 PHE A 86 -7.824 -14.099 -8.081 1.00 62.40 H new ATOM 0 HE1 PHE A 86 -4.317 -15.435 -11.260 1.00 30.31 H new ATOM 0 HE2 PHE A 86 -7.826 -16.367 -9.025 1.00 43.24 H new ATOM 0 HZ PHE A 86 -6.067 -17.042 -10.614 1.00 54.33 H new ATOM 926 N LYS A 87 -2.897 -10.321 -8.788 1.00 71.41 N ATOM 927 CA LYS A 87 -2.278 -9.168 -9.429 1.00 42.32 C ATOM 928 C LYS A 87 -2.451 -9.229 -10.944 1.00 1.20 C ATOM 929 O LYS A 87 -2.494 -10.309 -11.530 1.00 4.44 O ATOM 930 CB LYS A 87 -0.790 -9.099 -9.078 1.00 34.02 C ATOM 931 CG LYS A 87 -0.136 -7.780 -9.452 1.00 31.21 C ATOM 932 CD LYS A 87 1.121 -7.530 -8.635 1.00 60.54 C ATOM 933 CE LYS A 87 1.921 -6.361 -9.190 1.00 21.13 C ATOM 934 NZ LYS A 87 2.609 -5.600 -8.110 1.00 50.12 N ATOM 0 H LYS A 87 -2.237 -11.030 -8.469 1.00 71.41 H new ATOM 0 HA LYS A 87 -2.774 -8.270 -9.060 1.00 42.32 H new ATOM 0 HB2 LYS A 87 -0.670 -9.263 -8.007 1.00 34.02 H new ATOM 0 HB3 LYS A 87 -0.268 -9.910 -9.585 1.00 34.02 H new ATOM 0 HG2 LYS A 87 0.113 -7.784 -10.513 1.00 31.21 H new ATOM 0 HG3 LYS A 87 -0.842 -6.965 -9.294 1.00 31.21 H new ATOM 0 HD2 LYS A 87 0.849 -7.327 -7.599 1.00 60.54 H new ATOM 0 HD3 LYS A 87 1.740 -8.427 -8.633 1.00 60.54 H new ATOM 0 HE2 LYS A 87 2.659 -6.731 -9.901 1.00 21.13 H new ATOM 0 HE3 LYS A 87 1.256 -5.693 -9.739 1.00 21.13 H new ATOM 0 HZ1 LYS A 87 3.334 -4.983 -8.528 1.00 50.12 H new ATOM 0 HZ2 LYS A 87 1.914 -5.020 -7.597 1.00 50.12 H new ATOM 0 HZ3 LYS A 87 3.060 -6.265 -7.450 1.00 50.12 H new ATOM 948 N GLY A 88 -2.548 -8.060 -11.572 1.00 35.23 N ATOM 949 CA GLY A 88 -2.714 -8.004 -13.012 1.00 34.33 C ATOM 950 C GLY A 88 -2.708 -6.584 -13.541 1.00 63.00 C ATOM 951 O GLY A 88 -2.233 -6.328 -14.649 1.00 24.11 O ATOM 0 H GLY A 88 -2.514 -7.152 -11.109 1.00 35.23 H new ATOM 0 HA2 GLY A 88 -1.914 -8.570 -13.489 1.00 34.33 H new ATOM 0 HA3 GLY A 88 -3.652 -8.486 -13.286 1.00 34.33 H new ATOM 955 N LEU A 89 -3.237 -5.657 -12.750 1.00 65.10 N ATOM 956 CA LEU A 89 -3.291 -4.254 -13.146 1.00 14.41 C ATOM 957 C LEU A 89 -2.191 -3.451 -12.459 1.00 71.21 C ATOM 958 O LEU A 89 -1.648 -3.870 -11.437 1.00 4.31 O ATOM 959 CB LEU A 89 -4.660 -3.660 -12.806 1.00 34.42 C ATOM 960 CG LEU A 89 -5.285 -4.127 -11.491 1.00 53.54 C ATOM 961 CD1 LEU A 89 -4.355 -3.835 -10.324 1.00 42.52 C ATOM 962 CD2 LEU A 89 -6.637 -3.460 -11.277 1.00 24.12 C ATOM 0 H LEU A 89 -3.634 -5.851 -11.831 1.00 65.10 H new ATOM 0 HA LEU A 89 -3.135 -4.200 -14.223 1.00 14.41 H new ATOM 0 HB2 LEU A 89 -4.566 -2.575 -12.775 1.00 34.42 H new ATOM 0 HB3 LEU A 89 -5.349 -3.897 -13.617 1.00 34.42 H new ATOM 0 HG LEU A 89 -5.438 -5.205 -11.546 1.00 53.54 H new ATOM 0 HD11 LEU A 89 -4.817 -4.174 -9.397 1.00 42.52 H new ATOM 0 HD12 LEU A 89 -3.410 -4.359 -10.472 1.00 42.52 H new ATOM 0 HD13 LEU A 89 -4.170 -2.762 -10.266 1.00 42.52 H new ATOM 0 HD21 LEU A 89 -7.068 -3.804 -10.337 1.00 24.12 H new ATOM 0 HD22 LEU A 89 -6.508 -2.378 -11.243 1.00 24.12 H new ATOM 0 HD23 LEU A 89 -7.305 -3.720 -12.098 1.00 24.12 H new ATOM 974 N THR A 90 -1.869 -2.293 -13.027 1.00 65.11 N ATOM 975 CA THR A 90 -0.834 -1.430 -12.470 1.00 15.04 C ATOM 976 C THR A 90 -1.036 -1.228 -10.971 1.00 61.42 C ATOM 977 O THR A 90 -1.981 -0.564 -10.546 1.00 44.31 O ATOM 978 CB THR A 90 -0.815 -0.055 -13.163 1.00 13.21 C ATOM 979 OG1 THR A 90 -2.003 0.675 -12.835 1.00 61.43 O ATOM 980 CG2 THR A 90 -0.711 -0.212 -14.672 1.00 71.22 C ATOM 0 H THR A 90 -2.310 -1.931 -13.872 1.00 65.11 H new ATOM 0 HA THR A 90 0.120 -1.928 -12.643 1.00 15.04 H new ATOM 0 HB THR A 90 0.058 0.494 -12.809 1.00 13.21 H new ATOM 0 HG1 THR A 90 -2.304 0.423 -11.937 1.00 61.43 H new ATOM 0 HG21 THR A 90 -0.699 0.772 -15.140 1.00 71.22 H new ATOM 0 HG22 THR A 90 0.208 -0.743 -14.920 1.00 71.22 H new ATOM 0 HG23 THR A 90 -1.567 -0.778 -15.039 1.00 71.22 H new ATOM 988 N LEU A 91 -0.141 -1.806 -10.177 1.00 13.12 N ATOM 989 CA LEU A 91 -0.220 -1.689 -8.725 1.00 54.12 C ATOM 990 C LEU A 91 -0.145 -0.228 -8.291 1.00 44.21 C ATOM 991 O LEU A 91 -0.648 0.143 -7.231 1.00 54.12 O ATOM 992 CB LEU A 91 0.907 -2.486 -8.067 1.00 4.12 C ATOM 993 CG LEU A 91 2.310 -1.891 -8.188 1.00 42.12 C ATOM 994 CD1 LEU A 91 3.209 -2.408 -7.076 1.00 71.22 C ATOM 995 CD2 LEU A 91 2.909 -2.209 -9.551 1.00 14.20 C ATOM 0 H LEU A 91 0.647 -2.360 -10.514 1.00 13.12 H new ATOM 0 HA LEU A 91 -1.179 -2.095 -8.405 1.00 54.12 H new ATOM 0 HB2 LEU A 91 0.673 -2.601 -7.009 1.00 4.12 H new ATOM 0 HB3 LEU A 91 0.919 -3.486 -8.501 1.00 4.12 H new ATOM 0 HG LEU A 91 2.233 -0.808 -8.090 1.00 42.12 H new ATOM 0 HD11 LEU A 91 4.203 -1.973 -7.180 1.00 71.22 H new ATOM 0 HD12 LEU A 91 2.790 -2.129 -6.110 1.00 71.22 H new ATOM 0 HD13 LEU A 91 3.280 -3.494 -7.140 1.00 71.22 H new ATOM 0 HD21 LEU A 91 3.908 -1.778 -9.619 1.00 14.20 H new ATOM 0 HD22 LEU A 91 2.971 -3.290 -9.678 1.00 14.20 H new ATOM 0 HD23 LEU A 91 2.278 -1.788 -10.333 1.00 14.20 H new ATOM 1007 N VAL A 92 0.486 0.598 -9.120 1.00 60.10 N ATOM 1008 CA VAL A 92 0.624 2.019 -8.825 1.00 4.01 C ATOM 1009 C VAL A 92 -0.739 2.685 -8.681 1.00 42.52 C ATOM 1010 O VAL A 92 -0.857 3.767 -8.104 1.00 44.44 O ATOM 1011 CB VAL A 92 1.426 2.745 -9.921 1.00 53.44 C ATOM 1012 CG1 VAL A 92 2.779 2.080 -10.123 1.00 13.25 C ATOM 1013 CG2 VAL A 92 0.640 2.776 -11.223 1.00 54.23 C ATOM 0 H VAL A 92 0.910 0.307 -10.001 1.00 60.10 H new ATOM 0 HA VAL A 92 1.163 2.095 -7.881 1.00 4.01 H new ATOM 0 HB VAL A 92 1.597 3.773 -9.601 1.00 53.44 H new ATOM 0 HG11 VAL A 92 3.331 2.607 -10.901 1.00 13.25 H new ATOM 0 HG12 VAL A 92 3.344 2.114 -9.191 1.00 13.25 H new ATOM 0 HG13 VAL A 92 2.633 1.042 -10.421 1.00 13.25 H new ATOM 0 HG21 VAL A 92 1.221 3.293 -11.987 1.00 54.23 H new ATOM 0 HG22 VAL A 92 0.437 1.756 -11.550 1.00 54.23 H new ATOM 0 HG23 VAL A 92 -0.302 3.301 -11.067 1.00 54.23 H new ATOM 1023 N LYS A 93 -1.769 2.034 -9.211 1.00 10.32 N ATOM 1024 CA LYS A 93 -3.126 2.562 -9.141 1.00 33.24 C ATOM 1025 C LYS A 93 -3.623 2.599 -7.699 1.00 65.43 C ATOM 1026 O LYS A 93 -4.113 3.624 -7.227 1.00 64.01 O ATOM 1027 CB LYS A 93 -4.070 1.712 -9.995 1.00 75.10 C ATOM 1028 CG LYS A 93 -5.538 2.051 -9.801 1.00 50.13 C ATOM 1029 CD LYS A 93 -6.294 0.906 -9.149 1.00 3.14 C ATOM 1030 CE LYS A 93 -7.168 0.171 -10.154 1.00 2.13 C ATOM 1031 NZ LYS A 93 -8.266 1.035 -10.670 1.00 2.53 N ATOM 0 H LYS A 93 -1.689 1.139 -9.694 1.00 10.32 H new ATOM 0 HA LYS A 93 -3.113 3.581 -9.528 1.00 33.24 H new ATOM 0 HB2 LYS A 93 -3.812 1.842 -11.046 1.00 75.10 H new ATOM 0 HB3 LYS A 93 -3.914 0.660 -9.756 1.00 75.10 H new ATOM 0 HG2 LYS A 93 -5.627 2.945 -9.184 1.00 50.13 H new ATOM 0 HG3 LYS A 93 -5.989 2.283 -10.766 1.00 50.13 H new ATOM 0 HD2 LYS A 93 -5.585 0.208 -8.703 1.00 3.14 H new ATOM 0 HD3 LYS A 93 -6.914 1.292 -8.340 1.00 3.14 H new ATOM 0 HE2 LYS A 93 -6.554 -0.172 -10.987 1.00 2.13 H new ATOM 0 HE3 LYS A 93 -7.594 -0.716 -9.685 1.00 2.13 H new ATOM 0 HZ1 LYS A 93 -9.062 0.439 -10.976 1.00 2.53 H new ATOM 0 HZ2 LYS A 93 -8.584 1.679 -9.917 1.00 2.53 H new ATOM 0 HZ3 LYS A 93 -7.920 1.591 -11.478 1.00 2.53 H new ATOM 1045 N ARG A 94 -3.491 1.473 -7.004 1.00 11.21 N ATOM 1046 CA ARG A 94 -3.926 1.377 -5.616 1.00 3.22 C ATOM 1047 C ARG A 94 -3.050 2.239 -4.710 1.00 63.15 C ATOM 1048 O ARG A 94 -3.552 2.999 -3.882 1.00 70.35 O ATOM 1049 CB ARG A 94 -3.888 -0.078 -5.146 1.00 23.32 C ATOM 1050 CG ARG A 94 -5.070 -0.904 -5.624 1.00 10.43 C ATOM 1051 CD ARG A 94 -6.324 -0.600 -4.819 1.00 3.44 C ATOM 1052 NE ARG A 94 -6.163 -0.940 -3.407 1.00 65.14 N ATOM 1053 CZ ARG A 94 -7.182 -1.131 -2.577 1.00 14.32 C ATOM 1054 NH1 ARG A 94 -8.428 -1.015 -3.013 1.00 72.45 N ATOM 1055 NH2 ARG A 94 -6.955 -1.438 -1.306 1.00 20.35 N ATOM 0 H ARG A 94 -3.086 0.615 -7.380 1.00 11.21 H new ATOM 0 HA ARG A 94 -4.951 1.744 -5.557 1.00 3.22 H new ATOM 0 HB2 ARG A 94 -2.966 -0.541 -5.499 1.00 23.32 H new ATOM 0 HB3 ARG A 94 -3.858 -0.098 -4.057 1.00 23.32 H new ATOM 0 HG2 ARG A 94 -5.255 -0.700 -6.679 1.00 10.43 H new ATOM 0 HG3 ARG A 94 -4.831 -1.964 -5.541 1.00 10.43 H new ATOM 0 HD2 ARG A 94 -6.567 0.459 -4.912 1.00 3.44 H new ATOM 0 HD3 ARG A 94 -7.165 -1.157 -5.233 1.00 3.44 H new ATOM 0 HE ARG A 94 -5.217 -1.036 -3.039 1.00 65.14 H new ATOM 0 HH11 ARG A 94 -8.607 -0.778 -3.989 1.00 72.45 H new ATOM 0 HH12 ARG A 94 -9.208 -1.162 -2.373 1.00 72.45 H new ATOM 0 HH21 ARG A 94 -5.997 -1.527 -0.966 1.00 20.35 H new ATOM 0 HH22 ARG A 94 -7.738 -1.585 -0.669 1.00 20.35 H new ATOM 1069 N HIS A 95 -1.736 2.114 -4.875 1.00 32.00 N ATOM 1070 CA HIS A 95 -0.789 2.881 -4.073 1.00 73.20 C ATOM 1071 C HIS A 95 -1.010 4.380 -4.257 1.00 72.45 C ATOM 1072 O HIS A 95 -0.837 5.161 -3.322 1.00 61.41 O ATOM 1073 CB HIS A 95 0.646 2.514 -4.452 1.00 0.34 C ATOM 1074 CG HIS A 95 1.647 3.569 -4.095 1.00 3.31 C ATOM 1075 ND1 HIS A 95 1.708 4.159 -2.850 1.00 1.01 N ATOM 1076 CD2 HIS A 95 2.632 4.139 -4.828 1.00 25.13 C ATOM 1077 CE1 HIS A 95 2.686 5.047 -2.833 1.00 51.32 C ATOM 1078 NE2 HIS A 95 3.263 5.054 -4.021 1.00 32.11 N ATOM 0 H HIS A 95 -1.304 1.490 -5.556 1.00 32.00 H new ATOM 0 HA HIS A 95 -0.954 2.634 -3.024 1.00 73.20 H new ATOM 0 HB2 HIS A 95 0.918 1.583 -3.954 1.00 0.34 H new ATOM 0 HB3 HIS A 95 0.694 2.328 -5.525 1.00 0.34 H new ATOM 0 HD2 HIS A 95 2.876 3.916 -5.856 1.00 25.13 H new ATOM 0 HE1 HIS A 95 2.966 5.663 -1.991 1.00 51.32 H new ATOM 0 HE2 HIS A 95 4.049 5.643 -4.295 1.00 32.11 H new ATOM 1086 N GLN A 96 -1.392 4.772 -5.468 1.00 65.33 N ATOM 1087 CA GLN A 96 -1.634 6.177 -5.774 1.00 73.11 C ATOM 1088 C GLN A 96 -2.950 6.647 -5.164 1.00 74.03 C ATOM 1089 O GLN A 96 -3.077 7.800 -4.749 1.00 53.41 O ATOM 1090 CB GLN A 96 -1.653 6.395 -7.288 1.00 64.42 C ATOM 1091 CG GLN A 96 -2.177 7.761 -7.700 1.00 32.44 C ATOM 1092 CD GLN A 96 -1.279 8.452 -8.706 1.00 3.21 C ATOM 1093 OE1 GLN A 96 -0.968 9.636 -8.570 1.00 31.13 O ATOM 1094 NE2 GLN A 96 -0.854 7.714 -9.725 1.00 41.13 N ATOM 0 H GLN A 96 -1.540 4.137 -6.253 1.00 65.33 H new ATOM 0 HA GLN A 96 -0.824 6.763 -5.340 1.00 73.11 H new ATOM 0 HB2 GLN A 96 -0.643 6.270 -7.677 1.00 64.42 H new ATOM 0 HB3 GLN A 96 -2.270 5.624 -7.750 1.00 64.42 H new ATOM 0 HG2 GLN A 96 -3.174 7.650 -8.125 1.00 32.44 H new ATOM 0 HG3 GLN A 96 -2.276 8.390 -6.815 1.00 32.44 H new ATOM 0 HE21 GLN A 96 -1.136 6.737 -9.799 1.00 41.13 H new ATOM 0 HE22 GLN A 96 -0.246 8.125 -10.433 1.00 41.13 H new ATOM 1103 N LEU A 97 -3.927 5.749 -5.114 1.00 33.21 N ATOM 1104 CA LEU A 97 -5.236 6.073 -4.554 1.00 20.21 C ATOM 1105 C LEU A 97 -5.123 6.431 -3.075 1.00 65.50 C ATOM 1106 O LEU A 97 -5.626 7.465 -2.637 1.00 34.03 O ATOM 1107 CB LEU A 97 -6.194 4.894 -4.734 1.00 14.35 C ATOM 1108 CG LEU A 97 -6.746 4.686 -6.144 1.00 5.23 C ATOM 1109 CD1 LEU A 97 -7.154 3.236 -6.349 1.00 42.21 C ATOM 1110 CD2 LEU A 97 -7.924 5.615 -6.398 1.00 53.30 C ATOM 0 H LEU A 97 -3.839 4.791 -5.454 1.00 33.21 H new ATOM 0 HA LEU A 97 -5.629 6.938 -5.088 1.00 20.21 H new ATOM 0 HB2 LEU A 97 -5.678 3.983 -4.430 1.00 14.35 H new ATOM 0 HB3 LEU A 97 -7.034 5.027 -4.053 1.00 14.35 H new ATOM 0 HG LEU A 97 -5.960 4.925 -6.860 1.00 5.23 H new ATOM 0 HD11 LEU A 97 -7.545 3.107 -7.358 1.00 42.21 H new ATOM 0 HD12 LEU A 97 -6.286 2.591 -6.210 1.00 42.21 H new ATOM 0 HD13 LEU A 97 -7.924 2.969 -5.625 1.00 42.21 H new ATOM 0 HD21 LEU A 97 -8.304 5.453 -7.407 1.00 53.30 H new ATOM 0 HD22 LEU A 97 -8.713 5.408 -5.675 1.00 53.30 H new ATOM 0 HD23 LEU A 97 -7.600 6.650 -6.294 1.00 53.30 H new ATOM 1122 N ILE A 98 -4.456 5.570 -2.314 1.00 21.32 N ATOM 1123 CA ILE A 98 -4.274 5.797 -0.885 1.00 41.14 C ATOM 1124 C ILE A 98 -3.094 6.726 -0.623 1.00 3.22 C ATOM 1125 O ILE A 98 -3.061 7.437 0.383 1.00 42.24 O ATOM 1126 CB ILE A 98 -4.050 4.474 -0.128 1.00 43.24 C ATOM 1127 CG1 ILE A 98 -2.789 3.776 -0.641 1.00 11.12 C ATOM 1128 CG2 ILE A 98 -5.263 3.568 -0.277 1.00 22.54 C ATOM 1129 CD1 ILE A 98 -2.520 2.446 0.028 1.00 54.01 C ATOM 0 H ILE A 98 -4.033 4.710 -2.662 1.00 21.32 H new ATOM 0 HA ILE A 98 -5.189 6.263 -0.520 1.00 41.14 H new ATOM 0 HB ILE A 98 -3.914 4.695 0.931 1.00 43.24 H new ATOM 0 HG12 ILE A 98 -2.881 3.621 -1.716 1.00 11.12 H new ATOM 0 HG13 ILE A 98 -1.932 4.431 -0.486 1.00 11.12 H new ATOM 0 HG21 ILE A 98 -5.090 2.637 0.263 1.00 22.54 H new ATOM 0 HG22 ILE A 98 -6.142 4.067 0.131 1.00 22.54 H new ATOM 0 HG23 ILE A 98 -5.427 3.350 -1.332 1.00 22.54 H new ATOM 0 HD11 ILE A 98 -1.611 2.008 -0.385 1.00 54.01 H new ATOM 0 HD12 ILE A 98 -2.396 2.597 1.100 1.00 54.01 H new ATOM 0 HD13 ILE A 98 -3.359 1.773 -0.149 1.00 54.01 H new ATOM 1141 N TYR A 99 -2.127 6.717 -1.534 1.00 23.34 N ATOM 1142 CA TYR A 99 -0.943 7.558 -1.400 1.00 50.43 C ATOM 1143 C TYR A 99 -0.491 7.636 0.054 1.00 13.12 C ATOM 1144 O TYR A 99 -0.230 8.718 0.578 1.00 10.24 O ATOM 1145 CB TYR A 99 -1.228 8.963 -1.933 1.00 55.34 C ATOM 1146 CG TYR A 99 -2.470 9.594 -1.344 1.00 21.41 C ATOM 1147 CD1 TYR A 99 -3.716 9.398 -1.928 1.00 11.43 C ATOM 1148 CD2 TYR A 99 -2.397 10.386 -0.205 1.00 35.02 C ATOM 1149 CE1 TYR A 99 -4.853 9.973 -1.393 1.00 72.31 C ATOM 1150 CE2 TYR A 99 -3.530 10.963 0.337 1.00 3.50 C ATOM 1151 CZ TYR A 99 -4.755 10.754 -0.261 1.00 23.12 C ATOM 1152 OH TYR A 99 -5.884 11.329 0.275 1.00 20.41 O ATOM 0 H TYR A 99 -2.140 6.137 -2.373 1.00 23.34 H new ATOM 0 HA TYR A 99 -0.141 7.109 -1.986 1.00 50.43 H new ATOM 0 HB2 TYR A 99 -0.371 9.603 -1.723 1.00 55.34 H new ATOM 0 HB3 TYR A 99 -1.333 8.917 -3.017 1.00 55.34 H new ATOM 0 HD1 TYR A 99 -3.797 8.786 -2.814 1.00 11.43 H new ATOM 0 HD2 TYR A 99 -1.439 10.554 0.265 1.00 35.02 H new ATOM 0 HE1 TYR A 99 -5.814 9.811 -1.859 1.00 72.31 H new ATOM 0 HE2 TYR A 99 -3.456 11.574 1.224 1.00 3.50 H new ATOM 0 HH TYR A 99 -5.641 11.846 1.071 1.00 20.41 H new ATOM 1162 N GLY A 100 -0.399 6.478 0.701 1.00 34.25 N ATOM 1163 CA GLY A 100 0.022 6.436 2.090 1.00 24.20 C ATOM 1164 C GLY A 100 1.530 6.375 2.236 1.00 43.22 C ATOM 1165 O GLY A 100 2.097 6.973 3.151 1.00 3.14 O ATOM 0 H GLY A 100 -0.608 5.569 0.289 1.00 34.25 H new ATOM 0 HA2 GLY A 100 -0.355 7.318 2.608 1.00 24.20 H new ATOM 0 HA3 GLY A 100 -0.423 5.567 2.575 1.00 24.20 H new ATOM 1169 N LEU A 101 2.182 5.650 1.334 1.00 74.11 N ATOM 1170 CA LEU A 101 3.634 5.512 1.367 1.00 61.21 C ATOM 1171 C LEU A 101 4.309 6.879 1.429 1.00 21.44 C ATOM 1172 O LEU A 101 3.686 7.904 1.154 1.00 45.40 O ATOM 1173 CB LEU A 101 4.121 4.744 0.138 1.00 41.45 C ATOM 1174 CG LEU A 101 5.322 3.822 0.353 1.00 15.40 C ATOM 1175 CD1 LEU A 101 4.860 2.431 0.758 1.00 51.22 C ATOM 1176 CD2 LEU A 101 6.177 3.757 -0.903 1.00 2.32 C ATOM 0 H LEU A 101 1.728 5.148 0.570 1.00 74.11 H new ATOM 0 HA LEU A 101 3.902 4.954 2.265 1.00 61.21 H new ATOM 0 HB2 LEU A 101 3.293 4.146 -0.243 1.00 41.45 H new ATOM 0 HB3 LEU A 101 4.377 5.465 -0.638 1.00 41.45 H new ATOM 0 HG LEU A 101 5.930 4.231 1.160 1.00 15.40 H new ATOM 0 HD11 LEU A 101 5.728 1.788 0.907 1.00 51.22 H new ATOM 0 HD12 LEU A 101 4.291 2.492 1.685 1.00 51.22 H new ATOM 0 HD13 LEU A 101 4.230 2.014 -0.028 1.00 51.22 H new ATOM 0 HD21 LEU A 101 7.027 3.096 -0.731 1.00 2.32 H new ATOM 0 HD22 LEU A 101 5.580 3.373 -1.730 1.00 2.32 H new ATOM 0 HD23 LEU A 101 6.538 4.756 -1.150 1.00 2.32 H new ATOM 1188 N LEU A 102 5.588 6.885 1.791 1.00 60.52 N ATOM 1189 CA LEU A 102 6.350 8.124 1.887 1.00 54.21 C ATOM 1190 C LEU A 102 5.776 9.034 2.968 1.00 70.10 C ATOM 1191 O LEU A 102 4.901 9.857 2.701 1.00 0.15 O ATOM 1192 CB LEU A 102 6.350 8.851 0.541 1.00 44.45 C ATOM 1193 CG LEU A 102 7.673 8.842 -0.227 1.00 74.23 C ATOM 1194 CD1 LEU A 102 7.964 7.452 -0.771 1.00 21.33 C ATOM 1195 CD2 LEU A 102 7.642 9.862 -1.356 1.00 53.13 C ATOM 0 H LEU A 102 6.118 6.045 2.023 1.00 60.52 H new ATOM 0 HA LEU A 102 7.375 7.871 2.157 1.00 54.21 H new ATOM 0 HB2 LEU A 102 5.583 8.403 -0.091 1.00 44.45 H new ATOM 0 HB3 LEU A 102 6.058 9.887 0.711 1.00 44.45 H new ATOM 0 HG LEU A 102 8.472 9.116 0.461 1.00 74.23 H new ATOM 0 HD11 LEU A 102 8.909 7.464 -1.314 1.00 21.33 H new ATOM 0 HD12 LEU A 102 8.030 6.744 0.055 1.00 21.33 H new ATOM 0 HD13 LEU A 102 7.162 7.150 -1.444 1.00 21.33 H new ATOM 0 HD21 LEU A 102 8.591 9.841 -1.891 1.00 53.13 H new ATOM 0 HD22 LEU A 102 6.832 9.619 -2.044 1.00 53.13 H new ATOM 0 HD23 LEU A 102 7.480 10.857 -0.943 1.00 53.13 H new ATOM 1207 N SER A 103 6.277 8.880 4.190 1.00 0.24 N ATOM 1208 CA SER A 103 5.813 9.687 5.313 1.00 22.04 C ATOM 1209 C SER A 103 6.614 9.374 6.574 1.00 32.51 C ATOM 1210 O SER A 103 7.387 10.204 7.053 1.00 20.13 O ATOM 1211 CB SER A 103 4.325 9.439 5.566 1.00 1.40 C ATOM 1212 OG SER A 103 3.534 10.473 5.006 1.00 23.15 O ATOM 0 H SER A 103 7.003 8.205 4.427 1.00 0.24 H new ATOM 0 HA SER A 103 5.961 10.737 5.060 1.00 22.04 H new ATOM 0 HB2 SER A 103 4.034 8.481 5.136 1.00 1.40 H new ATOM 0 HB3 SER A 103 4.141 9.376 6.638 1.00 1.40 H new ATOM 0 HG SER A 103 3.746 10.568 4.054 1.00 23.15 H new ATOM 1218 N ASP A 104 6.423 8.171 7.104 1.00 4.34 N ATOM 1219 CA ASP A 104 7.127 7.747 8.309 1.00 65.43 C ATOM 1220 C ASP A 104 8.564 7.345 7.986 1.00 40.43 C ATOM 1221 O ASP A 104 9.487 7.647 8.741 1.00 40.03 O ATOM 1222 CB ASP A 104 6.395 6.577 8.968 1.00 14.13 C ATOM 1223 CG ASP A 104 7.125 6.051 10.188 1.00 22.24 C ATOM 1224 OD1 ASP A 104 8.147 5.355 10.012 1.00 63.20 O ATOM 1225 OD2 ASP A 104 6.674 6.332 11.318 1.00 5.40 O ATOM 0 H ASP A 104 5.787 7.473 6.719 1.00 4.34 H new ATOM 0 HA ASP A 104 7.150 8.589 9.001 1.00 65.43 H new ATOM 0 HB2 ASP A 104 5.393 6.895 9.257 1.00 14.13 H new ATOM 0 HB3 ASP A 104 6.277 5.771 8.243 1.00 14.13 H new ATOM 1230 N GLU A 105 8.742 6.662 6.859 1.00 4.12 N ATOM 1231 CA GLU A 105 10.066 6.219 6.438 1.00 32.42 C ATOM 1232 C GLU A 105 11.045 7.388 6.400 1.00 63.24 C ATOM 1233 O GLU A 105 12.233 7.228 6.685 1.00 74.04 O ATOM 1234 CB GLU A 105 9.992 5.556 5.061 1.00 31.15 C ATOM 1235 CG GLU A 105 9.889 6.546 3.913 1.00 54.22 C ATOM 1236 CD GLU A 105 9.109 5.995 2.735 1.00 34.12 C ATOM 1237 OE1 GLU A 105 7.892 5.761 2.888 1.00 74.21 O ATOM 1238 OE2 GLU A 105 9.716 5.796 1.662 1.00 32.35 O ATOM 0 H GLU A 105 7.988 6.404 6.223 1.00 4.12 H new ATOM 0 HA GLU A 105 10.425 5.491 7.165 1.00 32.42 H new ATOM 0 HB2 GLU A 105 10.877 4.937 4.917 1.00 31.15 H new ATOM 0 HB3 GLU A 105 9.130 4.890 5.034 1.00 31.15 H new ATOM 0 HG2 GLU A 105 9.409 7.458 4.267 1.00 54.22 H new ATOM 0 HG3 GLU A 105 10.891 6.820 3.584 1.00 54.22 H new ATOM 1245 N PHE A 106 10.539 8.564 6.043 1.00 24.12 N ATOM 1246 CA PHE A 106 11.369 9.762 5.965 1.00 22.44 C ATOM 1247 C PHE A 106 12.018 10.062 7.313 1.00 64.14 C ATOM 1248 O PHE A 106 13.071 10.696 7.380 1.00 4.40 O ATOM 1249 CB PHE A 106 10.531 10.958 5.511 1.00 3.42 C ATOM 1250 CG PHE A 106 11.304 11.956 4.695 1.00 72.13 C ATOM 1251 CD1 PHE A 106 11.660 11.672 3.386 1.00 11.14 C ATOM 1252 CD2 PHE A 106 11.675 13.176 5.236 1.00 33.35 C ATOM 1253 CE1 PHE A 106 12.371 12.587 2.634 1.00 63.24 C ATOM 1254 CE2 PHE A 106 12.386 14.095 4.489 1.00 54.23 C ATOM 1255 CZ PHE A 106 12.734 13.801 3.185 1.00 32.11 C ATOM 0 H PHE A 106 9.559 8.714 5.803 1.00 24.12 H new ATOM 0 HA PHE A 106 12.158 9.582 5.235 1.00 22.44 H new ATOM 0 HB2 PHE A 106 9.686 10.598 4.925 1.00 3.42 H new ATOM 0 HB3 PHE A 106 10.120 11.458 6.388 1.00 3.42 H new ATOM 0 HD1 PHE A 106 11.379 10.725 2.949 1.00 11.14 H new ATOM 0 HD2 PHE A 106 11.405 13.412 6.255 1.00 33.35 H new ATOM 0 HE1 PHE A 106 12.643 12.353 1.615 1.00 63.24 H new ATOM 0 HE2 PHE A 106 12.669 15.042 4.924 1.00 54.23 H new ATOM 0 HZ PHE A 106 13.288 14.518 2.598 1.00 32.11 H new ATOM 1265 N LYS A 107 11.382 9.602 8.385 1.00 52.40 N ATOM 1266 CA LYS A 107 11.895 9.820 9.732 1.00 11.41 C ATOM 1267 C LYS A 107 13.007 8.828 10.057 1.00 4.34 C ATOM 1268 O LYS A 107 13.840 9.078 10.929 1.00 12.51 O ATOM 1269 CB LYS A 107 10.767 9.691 10.758 1.00 55.24 C ATOM 1270 CG LYS A 107 11.245 9.746 12.198 1.00 11.24 C ATOM 1271 CD LYS A 107 10.312 10.577 13.065 1.00 64.44 C ATOM 1272 CE LYS A 107 9.398 9.696 13.902 1.00 73.25 C ATOM 1273 NZ LYS A 107 8.049 10.304 14.076 1.00 41.21 N ATOM 0 H LYS A 107 10.509 9.075 8.347 1.00 52.40 H new ATOM 0 HA LYS A 107 12.306 10.829 9.778 1.00 11.41 H new ATOM 0 HB2 LYS A 107 10.044 10.490 10.593 1.00 55.24 H new ATOM 0 HB3 LYS A 107 10.244 8.749 10.594 1.00 55.24 H new ATOM 0 HG2 LYS A 107 11.311 8.735 12.599 1.00 11.24 H new ATOM 0 HG3 LYS A 107 12.249 10.169 12.233 1.00 11.24 H new ATOM 0 HD2 LYS A 107 10.899 11.220 13.720 1.00 64.44 H new ATOM 0 HD3 LYS A 107 9.711 11.230 12.432 1.00 64.44 H new ATOM 0 HE2 LYS A 107 9.298 8.720 13.426 1.00 73.25 H new ATOM 0 HE3 LYS A 107 9.850 9.529 14.880 1.00 73.25 H new ATOM 0 HZ1 LYS A 107 7.456 9.673 14.652 1.00 41.21 H new ATOM 0 HZ2 LYS A 107 8.142 11.224 14.553 1.00 41.21 H new ATOM 0 HZ3 LYS A 107 7.607 10.440 13.145 1.00 41.21 H new ATOM 1287 N ALA A 108 13.017 7.703 9.349 1.00 1.32 N ATOM 1288 CA ALA A 108 14.028 6.677 9.561 1.00 64.22 C ATOM 1289 C ALA A 108 15.285 6.967 8.746 1.00 53.10 C ATOM 1290 O ALA A 108 16.398 6.673 9.177 1.00 5.43 O ATOM 1291 CB ALA A 108 13.472 5.306 9.206 1.00 23.24 C ATOM 0 H ALA A 108 12.335 7.480 8.624 1.00 1.32 H new ATOM 0 HA ALA A 108 14.301 6.684 10.616 1.00 64.22 H new ATOM 0 HB1 ALA A 108 14.239 4.549 9.369 1.00 23.24 H new ATOM 0 HB2 ALA A 108 12.609 5.090 9.835 1.00 23.24 H new ATOM 0 HB3 ALA A 108 13.170 5.296 8.159 1.00 23.24 H new ATOM 1297 N GLY A 109 15.096 7.545 7.563 1.00 23.01 N ATOM 1298 CA GLY A 109 16.222 7.865 6.706 1.00 43.01 C ATOM 1299 C GLY A 109 16.316 6.945 5.505 1.00 41.35 C ATOM 1300 O GLY A 109 17.151 7.148 4.621 1.00 73.33 O ATOM 0 H GLY A 109 14.183 7.797 7.184 1.00 23.01 H new ATOM 0 HA2 GLY A 109 16.133 8.896 6.364 1.00 43.01 H new ATOM 0 HA3 GLY A 109 17.144 7.799 7.283 1.00 43.01 H new ATOM 1304 N LEU A 110 15.458 5.931 5.469 1.00 4.13 N ATOM 1305 CA LEU A 110 15.449 4.976 4.367 1.00 54.22 C ATOM 1306 C LEU A 110 14.099 4.980 3.655 1.00 52.33 C ATOM 1307 O LEU A 110 13.052 5.116 4.288 1.00 40.03 O ATOM 1308 CB LEU A 110 15.760 3.569 4.882 1.00 1.34 C ATOM 1309 CG LEU A 110 15.230 3.232 6.276 1.00 73.14 C ATOM 1310 CD1 LEU A 110 16.016 3.978 7.343 1.00 42.14 C ATOM 1311 CD2 LEU A 110 13.747 3.562 6.376 1.00 21.42 C ATOM 0 H LEU A 110 14.760 5.749 6.190 1.00 4.13 H new ATOM 0 HA LEU A 110 16.218 5.274 3.654 1.00 54.22 H new ATOM 0 HB2 LEU A 110 15.351 2.847 4.175 1.00 1.34 H new ATOM 0 HB3 LEU A 110 16.842 3.436 4.884 1.00 1.34 H new ATOM 0 HG LEU A 110 15.357 2.162 6.443 1.00 73.14 H new ATOM 0 HD11 LEU A 110 15.623 3.725 8.328 1.00 42.14 H new ATOM 0 HD12 LEU A 110 17.067 3.693 7.287 1.00 42.14 H new ATOM 0 HD13 LEU A 110 15.922 5.052 7.180 1.00 42.14 H new ATOM 0 HD21 LEU A 110 13.386 3.316 7.375 1.00 21.42 H new ATOM 0 HD22 LEU A 110 13.597 4.625 6.188 1.00 21.42 H new ATOM 0 HD23 LEU A 110 13.194 2.981 5.637 1.00 21.42 H new ATOM 1323 N HIS A 111 14.132 4.830 2.335 1.00 24.21 N ATOM 1324 CA HIS A 111 12.912 4.814 1.536 1.00 71.12 C ATOM 1325 C HIS A 111 11.999 3.669 1.963 1.00 61.42 C ATOM 1326 O HIS A 111 12.227 3.029 2.989 1.00 54.34 O ATOM 1327 CB HIS A 111 13.250 4.686 0.051 1.00 22.22 C ATOM 1328 CG HIS A 111 12.549 5.689 -0.812 1.00 75.35 C ATOM 1329 ND1 HIS A 111 11.867 5.347 -1.961 1.00 2.22 N ATOM 1330 CD2 HIS A 111 12.424 7.031 -0.687 1.00 60.22 C ATOM 1331 CE1 HIS A 111 11.355 6.436 -2.507 1.00 31.12 C ATOM 1332 NE2 HIS A 111 11.678 7.471 -1.753 1.00 52.04 N ATOM 0 H HIS A 111 14.991 4.718 1.796 1.00 24.21 H new ATOM 0 HA HIS A 111 12.387 5.755 1.700 1.00 71.12 H new ATOM 0 HB2 HIS A 111 14.327 4.797 -0.079 1.00 22.22 H new ATOM 0 HB3 HIS A 111 12.990 3.683 -0.287 1.00 22.22 H new ATOM 0 HD2 HIS A 111 12.834 7.642 0.104 1.00 60.22 H new ATOM 0 HE1 HIS A 111 10.772 6.473 -3.415 1.00 31.12 H new ATOM 0 HE2 HIS A 111 11.416 8.440 -1.933 1.00 52.04 H new ATOM 1340 N ALA A 112 10.964 3.416 1.167 1.00 12.32 N ATOM 1341 CA ALA A 112 10.017 2.347 1.462 1.00 44.15 C ATOM 1342 C ALA A 112 9.608 1.611 0.191 1.00 44.23 C ATOM 1343 O ALA A 112 9.814 2.104 -0.918 1.00 42.42 O ATOM 1344 CB ALA A 112 8.791 2.907 2.168 1.00 42.42 C ATOM 0 H ALA A 112 10.760 3.936 0.314 1.00 12.32 H new ATOM 0 HA ALA A 112 10.508 1.632 2.123 1.00 44.15 H new ATOM 0 HB1 ALA A 112 8.093 2.098 2.382 1.00 42.42 H new ATOM 0 HB2 ALA A 112 9.094 3.381 3.102 1.00 42.42 H new ATOM 0 HB3 ALA A 112 8.307 3.644 1.527 1.00 42.42 H new ATOM 1350 N LEU A 113 9.028 0.428 0.359 1.00 32.51 N ATOM 1351 CA LEU A 113 8.589 -0.377 -0.776 1.00 22.14 C ATOM 1352 C LEU A 113 7.091 -0.655 -0.700 1.00 42.01 C ATOM 1353 O LEU A 113 6.602 -1.216 0.280 1.00 63.31 O ATOM 1354 CB LEU A 113 9.362 -1.697 -0.819 1.00 24.43 C ATOM 1355 CG LEU A 113 9.487 -2.446 0.509 1.00 40.32 C ATOM 1356 CD1 LEU A 113 8.774 -3.787 0.435 1.00 51.34 C ATOM 1357 CD2 LEU A 113 10.951 -2.638 0.878 1.00 42.43 C ATOM 0 H LEU A 113 8.851 0.005 1.270 1.00 32.51 H new ATOM 0 HA LEU A 113 8.790 0.185 -1.688 1.00 22.14 H new ATOM 0 HB2 LEU A 113 8.877 -2.355 -1.540 1.00 24.43 H new ATOM 0 HB3 LEU A 113 10.365 -1.495 -1.195 1.00 24.43 H new ATOM 0 HG LEU A 113 9.012 -1.848 1.287 1.00 40.32 H new ATOM 0 HD11 LEU A 113 8.874 -4.305 1.389 1.00 51.34 H new ATOM 0 HD12 LEU A 113 7.718 -3.626 0.218 1.00 51.34 H new ATOM 0 HD13 LEU A 113 9.218 -4.392 -0.355 1.00 51.34 H new ATOM 0 HD21 LEU A 113 11.020 -3.173 1.825 1.00 42.43 H new ATOM 0 HD22 LEU A 113 11.450 -3.214 0.099 1.00 42.43 H new ATOM 0 HD23 LEU A 113 11.433 -1.665 0.974 1.00 42.43 H new ATOM 1369 N SER A 114 6.368 -0.259 -1.743 1.00 44.14 N ATOM 1370 CA SER A 114 4.926 -0.464 -1.794 1.00 42.35 C ATOM 1371 C SER A 114 4.555 -1.443 -2.903 1.00 23.01 C ATOM 1372 O SER A 114 5.073 -1.362 -4.017 1.00 62.40 O ATOM 1373 CB SER A 114 4.208 0.869 -2.016 1.00 12.42 C ATOM 1374 OG SER A 114 3.755 0.989 -3.354 1.00 11.04 O ATOM 0 H SER A 114 6.758 0.205 -2.563 1.00 44.14 H new ATOM 0 HA SER A 114 4.610 -0.886 -0.840 1.00 42.35 H new ATOM 0 HB2 SER A 114 3.361 0.947 -1.334 1.00 12.42 H new ATOM 0 HB3 SER A 114 4.883 1.692 -1.782 1.00 12.42 H new ATOM 0 HG SER A 114 3.747 1.934 -3.613 1.00 11.04 H new ATOM 1380 N MET A 115 3.655 -2.369 -2.590 1.00 32.32 N ATOM 1381 CA MET A 115 3.213 -3.365 -3.558 1.00 45.03 C ATOM 1382 C MET A 115 1.723 -3.651 -3.404 1.00 61.33 C ATOM 1383 O MET A 115 1.275 -4.118 -2.357 1.00 35.40 O ATOM 1384 CB MET A 115 4.012 -4.659 -3.393 1.00 22.32 C ATOM 1385 CG MET A 115 5.499 -4.431 -3.174 1.00 42.04 C ATOM 1386 SD MET A 115 6.492 -5.878 -3.592 1.00 24.04 S ATOM 1387 CE MET A 115 5.957 -7.031 -2.330 1.00 42.50 C ATOM 0 H MET A 115 3.217 -2.450 -1.672 1.00 32.32 H new ATOM 0 HA MET A 115 3.386 -2.964 -4.557 1.00 45.03 H new ATOM 0 HB2 MET A 115 3.610 -5.219 -2.549 1.00 22.32 H new ATOM 0 HB3 MET A 115 3.874 -5.277 -4.280 1.00 22.32 H new ATOM 0 HG2 MET A 115 5.826 -3.584 -3.778 1.00 42.04 H new ATOM 0 HG3 MET A 115 5.672 -4.165 -2.131 1.00 42.04 H new ATOM 0 HE1 MET A 115 6.509 -7.965 -2.433 1.00 42.50 H new ATOM 0 HE2 MET A 115 6.146 -6.605 -1.345 1.00 42.50 H new ATOM 0 HE3 MET A 115 4.890 -7.225 -2.443 1.00 42.50 H new ATOM 1397 N THR A 116 0.958 -3.366 -4.453 1.00 61.55 N ATOM 1398 CA THR A 116 -0.482 -3.591 -4.434 1.00 62.22 C ATOM 1399 C THR A 116 -0.889 -4.634 -5.469 1.00 35.25 C ATOM 1400 O THR A 116 -0.566 -4.512 -6.651 1.00 31.13 O ATOM 1401 CB THR A 116 -1.258 -2.288 -4.702 1.00 4.23 C ATOM 1402 OG1 THR A 116 -1.376 -2.069 -6.112 1.00 71.44 O ATOM 1403 CG2 THR A 116 -0.560 -1.100 -4.057 1.00 12.33 C ATOM 0 H THR A 116 1.312 -2.978 -5.327 1.00 61.55 H new ATOM 0 HA THR A 116 -0.732 -3.955 -3.437 1.00 62.22 H new ATOM 0 HB THR A 116 -2.252 -2.387 -4.265 1.00 4.23 H new ATOM 0 HG1 THR A 116 -1.248 -1.117 -6.307 1.00 71.44 H new ATOM 0 HG21 THR A 116 -1.126 -0.191 -4.260 1.00 12.33 H new ATOM 0 HG22 THR A 116 -0.497 -1.256 -2.980 1.00 12.33 H new ATOM 0 HG23 THR A 116 0.445 -1.001 -4.468 1.00 12.33 H new ATOM 1411 N THR A 117 -1.604 -5.661 -5.018 1.00 1.34 N ATOM 1412 CA THR A 117 -2.057 -6.725 -5.904 1.00 44.22 C ATOM 1413 C THR A 117 -3.575 -6.852 -5.881 1.00 3.52 C ATOM 1414 O THR A 117 -4.157 -7.295 -4.891 1.00 2.02 O ATOM 1415 CB THR A 117 -1.433 -8.080 -5.518 1.00 15.22 C ATOM 1416 OG1 THR A 117 -2.100 -9.141 -6.212 1.00 11.51 O ATOM 1417 CG2 THR A 117 -1.528 -8.311 -4.017 1.00 2.31 C ATOM 0 H THR A 117 -1.881 -5.777 -4.043 1.00 1.34 H new ATOM 0 HA THR A 117 -1.734 -6.457 -6.910 1.00 44.22 H new ATOM 0 HB THR A 117 -0.381 -8.065 -5.802 1.00 15.22 H new ATOM 0 HG1 THR A 117 -1.697 -9.999 -5.963 1.00 11.51 H new ATOM 0 HG21 THR A 117 -1.081 -9.274 -3.768 1.00 2.31 H new ATOM 0 HG22 THR A 117 -0.996 -7.517 -3.492 1.00 2.31 H new ATOM 0 HG23 THR A 117 -2.575 -8.308 -3.714 1.00 2.31 H new ATOM 1425 N LYS A 118 -4.214 -6.461 -6.979 1.00 0.52 N ATOM 1426 CA LYS A 118 -5.666 -6.532 -7.086 1.00 64.12 C ATOM 1427 C LYS A 118 -6.085 -7.062 -8.454 1.00 23.11 C ATOM 1428 O LYS A 118 -5.438 -6.785 -9.464 1.00 3.44 O ATOM 1429 CB LYS A 118 -6.284 -5.152 -6.851 1.00 25.12 C ATOM 1430 CG LYS A 118 -7.799 -5.138 -6.954 1.00 4.03 C ATOM 1431 CD LYS A 118 -8.267 -4.397 -8.195 1.00 40.23 C ATOM 1432 CE LYS A 118 -8.519 -2.926 -7.904 1.00 2.33 C ATOM 1433 NZ LYS A 118 -9.789 -2.718 -7.156 1.00 13.41 N ATOM 0 H LYS A 118 -3.748 -6.091 -7.808 1.00 0.52 H new ATOM 0 HA LYS A 118 -6.028 -7.220 -6.322 1.00 64.12 H new ATOM 0 HB2 LYS A 118 -5.992 -4.796 -5.863 1.00 25.12 H new ATOM 0 HB3 LYS A 118 -5.872 -4.451 -7.577 1.00 25.12 H new ATOM 0 HG2 LYS A 118 -8.172 -6.162 -6.978 1.00 4.03 H new ATOM 0 HG3 LYS A 118 -8.221 -4.666 -6.067 1.00 4.03 H new ATOM 0 HD2 LYS A 118 -7.517 -4.490 -8.980 1.00 40.23 H new ATOM 0 HD3 LYS A 118 -9.181 -4.856 -8.571 1.00 40.23 H new ATOM 0 HE2 LYS A 118 -7.687 -2.522 -7.327 1.00 2.33 H new ATOM 0 HE3 LYS A 118 -8.555 -2.371 -8.842 1.00 2.33 H new ATOM 0 HZ1 LYS A 118 -10.011 -1.702 -7.125 1.00 13.41 H new ATOM 0 HZ2 LYS A 118 -10.560 -3.226 -7.633 1.00 13.41 H new ATOM 0 HZ3 LYS A 118 -9.684 -3.080 -6.187 1.00 13.41 H new ATOM 1447 N THR A 119 -7.173 -7.826 -8.480 1.00 31.02 N ATOM 1448 CA THR A 119 -7.679 -8.394 -9.723 1.00 23.22 C ATOM 1449 C THR A 119 -7.853 -7.318 -10.788 1.00 65.34 C ATOM 1450 O THR A 119 -7.955 -6.127 -10.491 1.00 64.32 O ATOM 1451 CB THR A 119 -9.025 -9.110 -9.506 1.00 65.31 C ATOM 1452 OG1 THR A 119 -9.783 -8.434 -8.497 1.00 51.35 O ATOM 1453 CG2 THR A 119 -8.808 -10.559 -9.099 1.00 33.00 C ATOM 0 H THR A 119 -7.721 -8.065 -7.653 1.00 31.02 H new ATOM 0 HA THR A 119 -6.941 -9.121 -10.063 1.00 23.22 H new ATOM 0 HB THR A 119 -9.576 -9.092 -10.446 1.00 65.31 H new ATOM 0 HG1 THR A 119 -9.569 -8.813 -7.619 1.00 51.35 H new ATOM 0 HG21 THR A 119 -9.773 -11.044 -8.951 1.00 33.00 H new ATOM 0 HG22 THR A 119 -8.257 -11.079 -9.883 1.00 33.00 H new ATOM 0 HG23 THR A 119 -8.238 -10.595 -8.170 1.00 33.00 H new ATOM 1461 N PRO A 120 -7.889 -7.743 -12.059 1.00 71.35 N ATOM 1462 CA PRO A 120 -8.053 -6.831 -13.195 1.00 71.45 C ATOM 1463 C PRO A 120 -9.451 -6.225 -13.255 1.00 52.22 C ATOM 1464 O PRO A 120 -10.358 -6.663 -12.548 1.00 50.31 O ATOM 1465 CB PRO A 120 -7.808 -7.730 -14.410 1.00 42.35 C ATOM 1466 CG PRO A 120 -8.150 -9.103 -13.942 1.00 11.53 C ATOM 1467 CD PRO A 120 -7.774 -9.148 -12.486 1.00 71.31 C ATOM 0 HA PRO A 120 -7.376 -5.979 -13.134 1.00 71.45 H new ATOM 0 HB2 PRO A 120 -8.431 -7.433 -15.254 1.00 42.35 H new ATOM 0 HB3 PRO A 120 -6.772 -7.672 -14.743 1.00 42.35 H new ATOM 0 HG2 PRO A 120 -9.212 -9.309 -14.078 1.00 11.53 H new ATOM 0 HG3 PRO A 120 -7.604 -9.856 -14.510 1.00 11.53 H new ATOM 0 HD2 PRO A 120 -8.442 -9.796 -11.919 1.00 71.31 H new ATOM 0 HD3 PRO A 120 -6.763 -9.529 -12.344 1.00 71.31 H new ATOM 1475 N ALA A 121 -9.618 -5.216 -14.104 1.00 4.23 N ATOM 1476 CA ALA A 121 -10.906 -4.552 -14.257 1.00 13.43 C ATOM 1477 C ALA A 121 -11.578 -4.951 -15.567 1.00 4.54 C ATOM 1478 O ALA A 121 -12.784 -4.775 -15.735 1.00 22.15 O ATOM 1479 CB ALA A 121 -10.733 -3.041 -14.189 1.00 65.23 C ATOM 0 H ALA A 121 -8.877 -4.841 -14.696 1.00 4.23 H new ATOM 0 HA ALA A 121 -11.550 -4.870 -13.437 1.00 13.43 H new ATOM 0 HB1 ALA A 121 -11.703 -2.558 -14.305 1.00 65.23 H new ATOM 0 HB2 ALA A 121 -10.304 -2.767 -13.225 1.00 65.23 H new ATOM 0 HB3 ALA A 121 -10.068 -2.715 -14.988 1.00 65.23 H new