USER MOD reduce.3.24.130724 H: found=0, std=0, add=444, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 444 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 56 SER OG : rot 89:sc= -1.25 USER MOD Set 1.2: B 156 SER OG : rot 88:sc= -1.16 USER MOD Set 2.1: A 52 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: B 152 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot -72:sc= -0.0478 USER MOD Single : B 153 SER OG : rot 180:sc= -0.414 USER MOD Single : B 176 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 120 N PRO A 50 3.503 22.343 -5.327 1.00 13.04 N ATOM 121 CA PRO A 50 2.275 21.641 -5.714 1.00 63.15 C ATOM 122 C PRO A 50 2.560 20.312 -6.405 1.00 22.22 C ATOM 123 O PRO A 50 1.655 19.502 -6.611 1.00 33.53 O ATOM 124 CB PRO A 50 1.600 22.615 -6.683 1.00 0.32 C ATOM 125 CG PRO A 50 2.715 23.431 -7.239 1.00 64.41 C ATOM 126 CD PRO A 50 3.729 23.554 -6.135 1.00 0.10 C ATOM 0 HA PRO A 50 1.662 21.385 -4.850 1.00 63.15 H new ATOM 0 HB2 PRO A 50 1.067 22.083 -7.471 1.00 0.32 H new ATOM 0 HB3 PRO A 50 0.869 23.241 -6.170 1.00 0.32 H new ATOM 0 HG2 PRO A 50 3.150 22.952 -8.116 1.00 64.41 H new ATOM 0 HG3 PRO A 50 2.361 24.412 -7.555 1.00 64.41 H new ATOM 0 HD2 PRO A 50 4.746 23.592 -6.526 1.00 0.10 H new ATOM 0 HD3 PRO A 50 3.578 24.461 -5.550 1.00 0.10 H new ATOM 134 N LEU A 51 3.821 20.094 -6.762 1.00 45.20 N ATOM 135 CA LEU A 51 4.225 18.862 -7.430 1.00 51.13 C ATOM 136 C LEU A 51 4.423 17.735 -6.421 1.00 32.14 C ATOM 137 O LEU A 51 4.338 16.556 -6.768 1.00 44.15 O ATOM 138 CB LEU A 51 5.515 19.087 -8.221 1.00 41.32 C ATOM 139 CG LEU A 51 5.358 19.767 -9.581 1.00 52.14 C ATOM 140 CD1 LEU A 51 6.188 21.041 -9.640 1.00 61.33 C ATOM 141 CD2 LEU A 51 5.756 18.818 -10.701 1.00 32.12 C ATOM 0 H LEU A 51 4.581 20.754 -6.600 1.00 45.20 H new ATOM 0 HA LEU A 51 3.430 18.573 -8.118 1.00 51.13 H new ATOM 0 HB2 LEU A 51 6.191 19.688 -7.612 1.00 41.32 H new ATOM 0 HB3 LEU A 51 5.997 18.121 -8.373 1.00 41.32 H new ATOM 0 HG LEU A 51 4.309 20.034 -9.713 1.00 52.14 H new ATOM 0 HD11 LEU A 51 6.064 21.511 -10.615 1.00 61.33 H new ATOM 0 HD12 LEU A 51 5.856 21.728 -8.861 1.00 61.33 H new ATOM 0 HD13 LEU A 51 7.239 20.798 -9.486 1.00 61.33 H new ATOM 0 HD21 LEU A 51 5.638 19.319 -11.662 1.00 32.12 H new ATOM 0 HD22 LEU A 51 6.797 18.520 -10.573 1.00 32.12 H new ATOM 0 HD23 LEU A 51 5.119 17.934 -10.672 1.00 32.12 H new ATOM 153 N THR A 52 4.685 18.105 -5.172 1.00 64.21 N ATOM 154 CA THR A 52 4.894 17.126 -4.113 1.00 54.03 C ATOM 155 C THR A 52 3.706 16.178 -3.998 1.00 62.24 C ATOM 156 O THR A 52 3.867 15.003 -3.670 1.00 40.22 O ATOM 157 CB THR A 52 5.125 17.811 -2.752 1.00 14.15 C ATOM 158 OG1 THR A 52 6.180 18.773 -2.860 1.00 31.23 O ATOM 159 CG2 THR A 52 5.472 16.786 -1.684 1.00 65.21 C ATOM 0 H THR A 52 4.758 19.076 -4.869 1.00 64.21 H new ATOM 0 HA THR A 52 5.784 16.557 -4.380 1.00 54.03 H new ATOM 0 HB THR A 52 4.204 18.316 -2.462 1.00 14.15 H new ATOM 0 HG1 THR A 52 6.319 19.205 -1.991 1.00 31.23 H new ATOM 0 HG21 THR A 52 5.631 17.292 -0.732 1.00 65.21 H new ATOM 0 HG22 THR A 52 4.653 16.073 -1.584 1.00 65.21 H new ATOM 0 HG23 THR A 52 6.381 16.257 -1.969 1.00 65.21 H new ATOM 167 N SER A 53 2.512 16.698 -4.270 1.00 25.52 N ATOM 168 CA SER A 53 1.296 15.898 -4.193 1.00 1.44 C ATOM 169 C SER A 53 1.279 14.829 -5.281 1.00 32.05 C ATOM 170 O SER A 53 1.184 13.636 -4.993 1.00 32.41 O ATOM 171 CB SER A 53 0.062 16.794 -4.323 1.00 20.31 C ATOM 172 OG SER A 53 0.215 17.720 -5.384 1.00 35.25 O ATOM 0 H SER A 53 2.362 17.669 -4.545 1.00 25.52 H new ATOM 0 HA SER A 53 1.277 15.403 -3.222 1.00 1.44 H new ATOM 0 HB2 SER A 53 -0.821 16.179 -4.497 1.00 20.31 H new ATOM 0 HB3 SER A 53 -0.102 17.330 -3.388 1.00 20.31 H new ATOM 0 HG SER A 53 0.864 18.408 -5.127 1.00 35.25 H new ATOM 178 N ILE A 54 1.371 15.266 -6.533 1.00 51.11 N ATOM 179 CA ILE A 54 1.368 14.348 -7.665 1.00 23.50 C ATOM 180 C ILE A 54 2.402 13.243 -7.480 1.00 62.44 C ATOM 181 O ILE A 54 2.120 12.068 -7.717 1.00 50.32 O ATOM 182 CB ILE A 54 1.650 15.084 -8.987 1.00 73.40 C ATOM 183 CG1 ILE A 54 0.606 16.176 -9.222 1.00 55.22 C ATOM 184 CG2 ILE A 54 1.666 14.100 -10.148 1.00 11.44 C ATOM 185 CD1 ILE A 54 -0.802 15.645 -9.368 1.00 33.00 C ATOM 0 H ILE A 54 1.449 16.250 -6.789 1.00 51.11 H new ATOM 0 HA ILE A 54 0.373 13.906 -7.710 1.00 23.50 H new ATOM 0 HB ILE A 54 2.631 15.555 -8.921 1.00 73.40 H new ATOM 0 HG12 ILE A 54 0.635 16.880 -8.391 1.00 55.22 H new ATOM 0 HG13 ILE A 54 0.871 16.733 -10.121 1.00 55.22 H new ATOM 0 HG21 ILE A 54 1.867 14.635 -11.076 1.00 11.44 H new ATOM 0 HG22 ILE A 54 2.445 13.355 -9.983 1.00 11.44 H new ATOM 0 HG23 ILE A 54 0.698 13.604 -10.218 1.00 11.44 H new ATOM 0 HD11 ILE A 54 -1.489 16.475 -9.532 1.00 33.00 H new ATOM 0 HD12 ILE A 54 -0.847 14.963 -10.217 1.00 33.00 H new ATOM 0 HD13 ILE A 54 -1.086 15.113 -8.460 1.00 33.00 H new ATOM 197 N ILE A 55 3.600 13.628 -7.052 1.00 22.20 N ATOM 198 CA ILE A 55 4.676 12.669 -6.831 1.00 32.43 C ATOM 199 C ILE A 55 4.356 11.742 -5.665 1.00 44.31 C ATOM 200 O ILE A 55 4.570 10.532 -5.742 1.00 31.33 O ATOM 201 CB ILE A 55 6.015 13.379 -6.556 1.00 21.54 C ATOM 202 CG1 ILE A 55 6.384 14.292 -7.728 1.00 1.40 C ATOM 203 CG2 ILE A 55 7.114 12.357 -6.308 1.00 60.33 C ATOM 204 CD1 ILE A 55 7.605 15.144 -7.469 1.00 64.33 C ATOM 0 H ILE A 55 3.850 14.596 -6.852 1.00 22.20 H new ATOM 0 HA ILE A 55 4.767 12.081 -7.744 1.00 32.43 H new ATOM 0 HB ILE A 55 5.907 13.993 -5.662 1.00 21.54 H new ATOM 0 HG12 ILE A 55 6.559 13.680 -8.613 1.00 1.40 H new ATOM 0 HG13 ILE A 55 5.538 14.942 -7.952 1.00 1.40 H new ATOM 0 HG21 ILE A 55 8.054 12.873 -6.115 1.00 60.33 H new ATOM 0 HG22 ILE A 55 6.853 11.744 -5.445 1.00 60.33 H new ATOM 0 HG23 ILE A 55 7.223 11.720 -7.186 1.00 60.33 H new ATOM 0 HD11 ILE A 55 7.807 15.765 -8.342 1.00 64.33 H new ATOM 0 HD12 ILE A 55 7.427 15.782 -6.603 1.00 64.33 H new ATOM 0 HD13 ILE A 55 8.463 14.501 -7.275 1.00 64.33 H new ATOM 216 N SER A 56 3.839 12.317 -4.583 1.00 72.04 N ATOM 217 CA SER A 56 3.491 11.543 -3.398 1.00 64.40 C ATOM 218 C SER A 56 2.405 10.520 -3.717 1.00 20.24 C ATOM 219 O SER A 56 2.459 9.378 -3.262 1.00 44.31 O ATOM 220 CB SER A 56 3.019 12.471 -2.277 1.00 70.41 C ATOM 221 OG SER A 56 4.119 13.009 -1.564 1.00 72.41 O ATOM 0 H SER A 56 3.652 13.317 -4.503 1.00 72.04 H new ATOM 0 HA SER A 56 4.383 11.010 -3.068 1.00 64.40 H new ATOM 0 HB2 SER A 56 2.423 13.281 -2.698 1.00 70.41 H new ATOM 0 HB3 SER A 56 2.372 11.921 -1.593 1.00 70.41 H new ATOM 0 HG SER A 56 4.407 13.844 -1.989 1.00 72.41 H new ATOM 227 N ALA A 57 1.419 10.939 -4.504 1.00 41.13 N ATOM 228 CA ALA A 57 0.321 10.060 -4.887 1.00 30.10 C ATOM 229 C ALA A 57 0.820 8.898 -5.739 1.00 42.23 C ATOM 230 O ALA A 57 0.476 7.742 -5.492 1.00 31.32 O ATOM 231 CB ALA A 57 -0.747 10.845 -5.635 1.00 42.13 C ATOM 0 H ALA A 57 1.358 11.882 -4.889 1.00 41.13 H new ATOM 0 HA ALA A 57 -0.116 9.648 -3.978 1.00 30.10 H new ATOM 0 HB1 ALA A 57 -1.561 10.176 -5.915 1.00 42.13 H new ATOM 0 HB2 ALA A 57 -1.133 11.637 -4.993 1.00 42.13 H new ATOM 0 HB3 ALA A 57 -0.313 11.285 -6.533 1.00 42.13 H new ATOM 237 N VAL A 58 1.631 9.212 -6.744 1.00 44.13 N ATOM 238 CA VAL A 58 2.178 8.193 -7.632 1.00 53.14 C ATOM 239 C VAL A 58 2.921 7.120 -6.846 1.00 61.35 C ATOM 240 O VAL A 58 2.819 5.931 -7.148 1.00 1.01 O ATOM 241 CB VAL A 58 3.134 8.809 -8.670 1.00 20.34 C ATOM 242 CG1 VAL A 58 3.754 7.722 -9.535 1.00 61.43 C ATOM 243 CG2 VAL A 58 2.403 9.831 -9.528 1.00 63.15 C ATOM 0 H VAL A 58 1.924 10.164 -6.964 1.00 44.13 H new ATOM 0 HA VAL A 58 1.334 7.739 -8.151 1.00 53.14 H new ATOM 0 HB VAL A 58 3.937 9.321 -8.140 1.00 20.34 H new ATOM 0 HG11 VAL A 58 4.427 8.176 -10.263 1.00 61.43 H new ATOM 0 HG12 VAL A 58 4.314 7.031 -8.905 1.00 61.43 H new ATOM 0 HG13 VAL A 58 2.966 7.180 -10.058 1.00 61.43 H new ATOM 0 HG21 VAL A 58 3.094 10.256 -10.256 1.00 63.15 H new ATOM 0 HG22 VAL A 58 1.579 9.345 -10.051 1.00 63.15 H new ATOM 0 HG23 VAL A 58 2.011 10.626 -8.893 1.00 63.15 H new ATOM 253 N VAL A 59 3.671 7.547 -5.834 1.00 65.14 N ATOM 254 CA VAL A 59 4.432 6.623 -5.002 1.00 5.22 C ATOM 255 C VAL A 59 3.506 5.681 -4.239 1.00 34.22 C ATOM 256 O VAL A 59 3.719 4.469 -4.216 1.00 42.21 O ATOM 257 CB VAL A 59 5.322 7.375 -3.996 1.00 10.55 C ATOM 258 CG1 VAL A 59 6.070 6.394 -3.106 1.00 35.32 C ATOM 259 CG2 VAL A 59 6.292 8.292 -4.725 1.00 33.02 C ATOM 0 H VAL A 59 3.767 8.528 -5.571 1.00 65.14 H new ATOM 0 HA VAL A 59 5.066 6.042 -5.672 1.00 5.22 H new ATOM 0 HB VAL A 59 4.683 7.990 -3.361 1.00 10.55 H new ATOM 0 HG11 VAL A 59 6.694 6.944 -2.402 1.00 35.32 H new ATOM 0 HG12 VAL A 59 5.354 5.783 -2.556 1.00 35.32 H new ATOM 0 HG13 VAL A 59 6.699 5.751 -3.722 1.00 35.32 H new ATOM 0 HG21 VAL A 59 6.913 8.816 -3.999 1.00 33.02 H new ATOM 0 HG22 VAL A 59 6.926 7.700 -5.385 1.00 33.02 H new ATOM 0 HG23 VAL A 59 5.733 9.018 -5.315 1.00 33.02 H new ATOM 269 N GLY A 60 2.477 6.247 -3.617 1.00 3.14 N ATOM 270 CA GLY A 60 1.533 5.443 -2.862 1.00 62.22 C ATOM 271 C GLY A 60 0.776 4.464 -3.737 1.00 4.21 C ATOM 272 O GLY A 60 0.640 3.290 -3.391 1.00 33.23 O ATOM 0 H GLY A 60 2.280 7.248 -3.622 1.00 3.14 H new ATOM 0 HA2 GLY A 60 2.067 4.894 -2.086 1.00 62.22 H new ATOM 0 HA3 GLY A 60 0.823 6.099 -2.358 1.00 62.22 H new ATOM 276 N ILE A 61 0.280 4.946 -4.871 1.00 51.14 N ATOM 277 CA ILE A 61 -0.469 4.106 -5.797 1.00 71.53 C ATOM 278 C ILE A 61 0.429 3.042 -6.420 1.00 33.42 C ATOM 279 O ILE A 61 -0.037 1.968 -6.804 1.00 13.44 O ATOM 280 CB ILE A 61 -1.114 4.940 -6.919 1.00 20.20 C ATOM 281 CG1 ILE A 61 -2.047 5.997 -6.327 1.00 71.21 C ATOM 282 CG2 ILE A 61 -1.870 4.036 -7.883 1.00 44.44 C ATOM 283 CD1 ILE A 61 -2.586 6.970 -7.352 1.00 13.24 C ATOM 0 H ILE A 61 0.383 5.915 -5.171 1.00 51.14 H new ATOM 0 HA ILE A 61 -1.256 3.622 -5.219 1.00 71.53 H new ATOM 0 HB ILE A 61 -0.325 5.449 -7.473 1.00 20.20 H new ATOM 0 HG12 ILE A 61 -2.883 5.498 -5.837 1.00 71.21 H new ATOM 0 HG13 ILE A 61 -1.511 6.553 -5.557 1.00 71.21 H new ATOM 0 HG21 ILE A 61 -2.321 4.640 -8.671 1.00 44.44 H new ATOM 0 HG22 ILE A 61 -1.180 3.318 -8.326 1.00 44.44 H new ATOM 0 HG23 ILE A 61 -2.652 3.502 -7.343 1.00 44.44 H new ATOM 0 HD11 ILE A 61 -3.240 7.691 -6.861 1.00 13.24 H new ATOM 0 HD12 ILE A 61 -1.757 7.496 -7.825 1.00 13.24 H new ATOM 0 HD13 ILE A 61 -3.150 6.425 -8.109 1.00 13.24 H new ATOM 295 N LEU A 62 1.718 3.345 -6.517 1.00 55.44 N ATOM 296 CA LEU A 62 2.683 2.415 -7.092 1.00 2.24 C ATOM 297 C LEU A 62 2.922 1.232 -6.158 1.00 34.42 C ATOM 298 O LEU A 62 2.918 0.078 -6.588 1.00 65.32 O ATOM 299 CB LEU A 62 4.004 3.130 -7.377 1.00 23.25 C ATOM 300 CG LEU A 62 5.081 2.298 -8.074 1.00 31.34 C ATOM 301 CD1 LEU A 62 5.632 3.041 -9.282 1.00 40.44 C ATOM 302 CD2 LEU A 62 6.200 1.952 -7.103 1.00 33.11 C ATOM 0 H LEU A 62 2.120 4.229 -6.204 1.00 55.44 H new ATOM 0 HA LEU A 62 2.273 2.038 -8.029 1.00 2.24 H new ATOM 0 HB2 LEU A 62 3.795 4.005 -7.992 1.00 23.25 H new ATOM 0 HB3 LEU A 62 4.409 3.493 -6.432 1.00 23.25 H new ATOM 0 HG LEU A 62 4.627 1.369 -8.420 1.00 31.34 H new ATOM 0 HD11 LEU A 62 6.397 2.433 -9.765 1.00 40.44 H new ATOM 0 HD12 LEU A 62 4.825 3.237 -9.988 1.00 40.44 H new ATOM 0 HD13 LEU A 62 6.069 3.986 -8.960 1.00 40.44 H new ATOM 0 HD21 LEU A 62 6.957 1.360 -7.617 1.00 33.11 H new ATOM 0 HD22 LEU A 62 6.651 2.870 -6.726 1.00 33.11 H new ATOM 0 HD23 LEU A 62 5.794 1.378 -6.270 1.00 33.11 H new ATOM 314 N LEU A 63 3.128 1.527 -4.880 1.00 71.00 N ATOM 315 CA LEU A 63 3.367 0.489 -3.884 1.00 2.53 C ATOM 316 C LEU A 63 2.141 -0.405 -3.725 1.00 63.32 C ATOM 317 O LEU A 63 2.262 -1.619 -3.556 1.00 51.04 O ATOM 318 CB LEU A 63 3.731 1.119 -2.539 1.00 42.24 C ATOM 319 CG LEU A 63 4.717 0.333 -1.674 1.00 30.00 C ATOM 320 CD1 LEU A 63 4.200 -1.075 -1.419 1.00 51.35 C ATOM 321 CD2 LEU A 63 6.087 0.288 -2.336 1.00 63.22 C ATOM 0 H LEU A 63 3.134 2.477 -4.509 1.00 71.00 H new ATOM 0 HA LEU A 63 4.200 -0.125 -4.227 1.00 2.53 H new ATOM 0 HB2 LEU A 63 4.150 2.108 -2.725 1.00 42.24 H new ATOM 0 HB3 LEU A 63 2.814 1.264 -1.968 1.00 42.24 H new ATOM 0 HG LEU A 63 4.814 0.841 -0.715 1.00 30.00 H new ATOM 0 HD11 LEU A 63 4.915 -1.619 -0.802 1.00 51.35 H new ATOM 0 HD12 LEU A 63 3.241 -1.023 -0.903 1.00 51.35 H new ATOM 0 HD13 LEU A 63 4.073 -1.594 -2.369 1.00 51.35 H new ATOM 0 HD21 LEU A 63 6.777 -0.275 -1.707 1.00 63.22 H new ATOM 0 HD22 LEU A 63 6.005 -0.196 -3.309 1.00 63.22 H new ATOM 0 HD23 LEU A 63 6.462 1.303 -2.466 1.00 63.22 H new ATOM 333 N VAL A 64 0.960 0.203 -3.781 1.00 3.13 N ATOM 334 CA VAL A 64 -0.288 -0.538 -3.646 1.00 11.14 C ATOM 335 C VAL A 64 -0.447 -1.557 -4.769 1.00 64.53 C ATOM 336 O VAL A 64 -0.634 -2.748 -4.520 1.00 23.52 O ATOM 337 CB VAL A 64 -1.505 0.407 -3.651 1.00 25.22 C ATOM 338 CG1 VAL A 64 -2.798 -0.388 -3.545 1.00 44.44 C ATOM 339 CG2 VAL A 64 -1.396 1.418 -2.520 1.00 54.31 C ATOM 0 H VAL A 64 0.842 1.207 -3.919 1.00 3.13 H new ATOM 0 HA VAL A 64 -0.244 -1.059 -2.690 1.00 11.14 H new ATOM 0 HB VAL A 64 -1.519 0.952 -4.595 1.00 25.22 H new ATOM 0 HG11 VAL A 64 -3.647 0.296 -3.550 1.00 44.44 H new ATOM 0 HG12 VAL A 64 -2.876 -1.070 -4.392 1.00 44.44 H new ATOM 0 HG13 VAL A 64 -2.798 -0.960 -2.617 1.00 44.44 H new ATOM 0 HG21 VAL A 64 -2.263 2.078 -2.537 1.00 54.31 H new ATOM 0 HG22 VAL A 64 -1.358 0.893 -1.565 1.00 54.31 H new ATOM 0 HG23 VAL A 64 -0.488 2.008 -2.646 1.00 54.31 H new ATOM 349 N VAL A 65 -0.368 -1.082 -6.008 1.00 15.42 N ATOM 350 CA VAL A 65 -0.501 -1.951 -7.171 1.00 41.41 C ATOM 351 C VAL A 65 0.472 -3.122 -7.095 1.00 74.24 C ATOM 352 O VAL A 65 0.089 -4.276 -7.286 1.00 11.44 O ATOM 353 CB VAL A 65 -0.258 -1.179 -8.480 1.00 75.30 C ATOM 354 CG1 VAL A 65 -0.369 -2.109 -9.679 1.00 24.31 C ATOM 355 CG2 VAL A 65 -1.233 -0.018 -8.604 1.00 41.10 C ATOM 0 H VAL A 65 -0.212 -0.099 -6.232 1.00 15.42 H new ATOM 0 HA VAL A 65 -1.523 -2.330 -7.168 1.00 41.41 H new ATOM 0 HB VAL A 65 0.753 -0.773 -8.458 1.00 75.30 H new ATOM 0 HG11 VAL A 65 -0.194 -1.544 -10.595 1.00 24.31 H new ATOM 0 HG12 VAL A 65 0.374 -2.902 -9.594 1.00 24.31 H new ATOM 0 HG13 VAL A 65 -1.366 -2.548 -9.708 1.00 24.31 H new ATOM 0 HG21 VAL A 65 -1.046 0.516 -9.536 1.00 41.10 H new ATOM 0 HG22 VAL A 65 -2.254 -0.399 -8.603 1.00 41.10 H new ATOM 0 HG23 VAL A 65 -1.098 0.662 -7.763 1.00 41.10 H new ATOM 365 N VAL A 66 1.735 -2.817 -6.815 1.00 63.31 N ATOM 366 CA VAL A 66 2.766 -3.844 -6.712 1.00 13.31 C ATOM 367 C VAL A 66 2.384 -4.904 -5.686 1.00 1.23 C ATOM 368 O VAL A 66 2.628 -6.095 -5.887 1.00 44.13 O ATOM 369 CB VAL A 66 4.127 -3.237 -6.325 1.00 10.01 C ATOM 370 CG1 VAL A 66 5.179 -4.327 -6.191 1.00 43.51 C ATOM 371 CG2 VAL A 66 4.555 -2.194 -7.347 1.00 1.32 C ATOM 0 H VAL A 66 2.069 -1.867 -6.655 1.00 63.31 H new ATOM 0 HA VAL A 66 2.851 -4.307 -7.695 1.00 13.31 H new ATOM 0 HB VAL A 66 4.024 -2.744 -5.358 1.00 10.01 H new ATOM 0 HG11 VAL A 66 6.134 -3.879 -5.917 1.00 43.51 H new ATOM 0 HG12 VAL A 66 4.875 -5.033 -5.419 1.00 43.51 H new ATOM 0 HG13 VAL A 66 5.283 -4.851 -7.141 1.00 43.51 H new ATOM 0 HG21 VAL A 66 5.519 -1.775 -7.058 1.00 1.32 H new ATOM 0 HG22 VAL A 66 4.642 -2.660 -8.328 1.00 1.32 H new ATOM 0 HG23 VAL A 66 3.811 -1.398 -7.388 1.00 1.32 H new ATOM 381 N LEU A 67 1.781 -4.466 -4.586 1.00 61.14 N ATOM 382 CA LEU A 67 1.364 -5.377 -3.527 1.00 41.21 C ATOM 383 C LEU A 67 0.289 -6.336 -4.026 1.00 1.43 C ATOM 384 O LEU A 67 0.390 -7.548 -3.846 1.00 64.42 O ATOM 385 CB LEU A 67 0.843 -4.589 -2.324 1.00 50.02 C ATOM 386 CG LEU A 67 0.849 -5.325 -0.984 1.00 62.44 C ATOM 387 CD1 LEU A 67 2.222 -5.243 -0.336 1.00 22.30 C ATOM 388 CD2 LEU A 67 -0.215 -4.756 -0.057 1.00 35.22 C ATOM 0 H LEU A 67 1.570 -3.485 -4.405 1.00 61.14 H new ATOM 0 HA LEU A 67 2.232 -5.961 -3.222 1.00 41.21 H new ATOM 0 HB2 LEU A 67 1.442 -3.684 -2.221 1.00 50.02 H new ATOM 0 HB3 LEU A 67 -0.178 -4.273 -2.537 1.00 50.02 H new ATOM 0 HG LEU A 67 0.618 -6.374 -1.167 1.00 62.44 H new ATOM 0 HD11 LEU A 67 2.207 -5.772 0.617 1.00 22.30 H new ATOM 0 HD12 LEU A 67 2.962 -5.699 -0.993 1.00 22.30 H new ATOM 0 HD13 LEU A 67 2.482 -4.198 -0.166 1.00 22.30 H new ATOM 0 HD21 LEU A 67 -0.196 -5.292 0.892 1.00 35.22 H new ATOM 0 HD22 LEU A 67 -0.016 -3.699 0.120 1.00 35.22 H new ATOM 0 HD23 LEU A 67 -1.197 -4.868 -0.517 1.00 35.22 H new ATOM 400 N GLY A 68 -0.744 -5.784 -4.656 1.00 74.15 N ATOM 401 CA GLY A 68 -1.823 -6.603 -5.174 1.00 2.12 C ATOM 402 C GLY A 68 -1.330 -7.677 -6.124 1.00 1.14 C ATOM 403 O GLY A 68 -1.754 -8.830 -6.043 1.00 30.04 O ATOM 0 H GLY A 68 -0.852 -4.783 -4.817 1.00 74.15 H new ATOM 0 HA2 GLY A 68 -2.351 -7.071 -4.343 1.00 2.12 H new ATOM 0 HA3 GLY A 68 -2.542 -5.967 -5.691 1.00 2.12 H new ATOM 407 N VAL A 69 -0.434 -7.298 -7.029 1.00 21.34 N ATOM 408 CA VAL A 69 0.116 -8.238 -8.000 1.00 72.04 C ATOM 409 C VAL A 69 0.819 -9.398 -7.305 1.00 0.44 C ATOM 410 O VAL A 69 0.584 -10.563 -7.626 1.00 0.54 O ATOM 411 CB VAL A 69 1.112 -7.544 -8.949 1.00 11.10 C ATOM 412 CG1 VAL A 69 1.721 -8.551 -9.913 1.00 11.12 C ATOM 413 CG2 VAL A 69 0.428 -6.415 -9.706 1.00 5.20 C ATOM 0 H VAL A 69 -0.073 -6.347 -7.111 1.00 21.34 H new ATOM 0 HA VAL A 69 -0.723 -8.621 -8.581 1.00 72.04 H new ATOM 0 HB VAL A 69 1.917 -7.115 -8.352 1.00 11.10 H new ATOM 0 HG11 VAL A 69 2.422 -8.043 -10.575 1.00 11.12 H new ATOM 0 HG12 VAL A 69 2.248 -9.321 -9.350 1.00 11.12 H new ATOM 0 HG13 VAL A 69 0.930 -9.011 -10.506 1.00 11.12 H new ATOM 0 HG21 VAL A 69 1.146 -5.936 -10.372 1.00 5.20 H new ATOM 0 HG22 VAL A 69 -0.398 -6.818 -10.293 1.00 5.20 H new ATOM 0 HG23 VAL A 69 0.045 -5.681 -8.997 1.00 5.20 H new ATOM 423 N VAL A 70 1.683 -9.072 -6.349 1.00 3.32 N ATOM 424 CA VAL A 70 2.419 -10.088 -5.606 1.00 43.21 C ATOM 425 C VAL A 70 1.469 -11.054 -4.906 1.00 70.30 C ATOM 426 O VAL A 70 1.563 -12.270 -5.080 1.00 75.43 O ATOM 427 CB VAL A 70 3.350 -9.451 -4.555 1.00 34.54 C ATOM 428 CG1 VAL A 70 4.173 -10.521 -3.854 1.00 43.31 C ATOM 429 CG2 VAL A 70 4.252 -8.413 -5.206 1.00 65.23 C ATOM 0 H VAL A 70 1.890 -8.113 -6.071 1.00 3.32 H new ATOM 0 HA VAL A 70 3.021 -10.636 -6.331 1.00 43.21 H new ATOM 0 HB VAL A 70 2.738 -8.949 -3.806 1.00 34.54 H new ATOM 0 HG11 VAL A 70 4.824 -10.053 -3.116 1.00 43.31 H new ATOM 0 HG12 VAL A 70 3.506 -11.225 -3.356 1.00 43.31 H new ATOM 0 HG13 VAL A 70 4.779 -11.053 -4.588 1.00 43.31 H new ATOM 0 HG21 VAL A 70 4.903 -7.972 -4.451 1.00 65.23 H new ATOM 0 HG22 VAL A 70 4.859 -8.890 -5.975 1.00 65.23 H new ATOM 0 HG23 VAL A 70 3.641 -7.632 -5.658 1.00 65.23 H new ATOM 439 N PHE A 71 0.553 -10.506 -4.115 1.00 50.02 N ATOM 440 CA PHE A 71 -0.415 -11.319 -3.388 1.00 20.45 C ATOM 441 C PHE A 71 -1.132 -12.282 -4.330 1.00 72.20 C ATOM 442 O PHE A 71 -1.163 -13.489 -4.096 1.00 51.10 O ATOM 443 CB PHE A 71 -1.435 -10.425 -2.681 1.00 43.24 C ATOM 444 CG PHE A 71 -2.153 -11.110 -1.553 1.00 23.23 C ATOM 445 CD1 PHE A 71 -1.444 -11.780 -0.569 1.00 51.14 C ATOM 446 CD2 PHE A 71 -3.536 -11.084 -1.477 1.00 31.35 C ATOM 447 CE1 PHE A 71 -2.102 -12.412 0.470 1.00 13.12 C ATOM 448 CE2 PHE A 71 -4.200 -11.715 -0.442 1.00 2.41 C ATOM 449 CZ PHE A 71 -3.482 -12.378 0.533 1.00 2.20 C ATOM 0 H PHE A 71 0.461 -9.502 -3.961 1.00 50.02 H new ATOM 0 HA PHE A 71 0.125 -11.902 -2.642 1.00 20.45 H new ATOM 0 HB2 PHE A 71 -0.926 -9.542 -2.294 1.00 43.24 H new ATOM 0 HB3 PHE A 71 -2.168 -10.077 -3.409 1.00 43.24 H new ATOM 0 HD1 PHE A 71 -0.365 -11.809 -0.614 1.00 51.14 H new ATOM 0 HD2 PHE A 71 -4.102 -10.564 -2.236 1.00 31.35 H new ATOM 0 HE1 PHE A 71 -1.538 -12.931 1.231 1.00 13.12 H new ATOM 0 HE2 PHE A 71 -5.279 -11.689 -0.396 1.00 2.41 H new ATOM 0 HZ PHE A 71 -3.998 -12.870 1.344 1.00 2.20 H new ATOM 459 N GLY A 72 -1.709 -11.737 -5.397 1.00 10.04 N ATOM 460 CA GLY A 72 -2.420 -12.561 -6.358 1.00 72.35 C ATOM 461 C GLY A 72 -1.588 -13.729 -6.847 1.00 33.30 C ATOM 462 O GLY A 72 -1.983 -14.885 -6.702 1.00 14.45 O ATOM 0 H GLY A 72 -1.697 -10.740 -5.613 1.00 10.04 H new ATOM 0 HA2 GLY A 72 -3.336 -12.937 -5.902 1.00 72.35 H new ATOM 0 HA3 GLY A 72 -2.716 -11.948 -7.209 1.00 72.35 H new ATOM 466 N ILE A 73 -0.432 -13.426 -7.430 1.00 23.12 N ATOM 467 CA ILE A 73 0.458 -14.461 -7.943 1.00 11.33 C ATOM 468 C ILE A 73 0.854 -15.440 -6.844 1.00 41.03 C ATOM 469 O ILE A 73 0.927 -16.649 -7.069 1.00 4.00 O ATOM 470 CB ILE A 73 1.732 -13.854 -8.559 1.00 12.11 C ATOM 471 CG1 ILE A 73 1.368 -12.893 -9.693 1.00 62.21 C ATOM 472 CG2 ILE A 73 2.653 -14.954 -9.064 1.00 11.42 C ATOM 473 CD1 ILE A 73 0.696 -13.571 -10.866 1.00 53.13 C ATOM 0 H ILE A 73 -0.090 -12.474 -7.559 1.00 23.12 H new ATOM 0 HA ILE A 73 -0.092 -14.993 -8.719 1.00 11.33 H new ATOM 0 HB ILE A 73 2.259 -13.293 -7.787 1.00 12.11 H new ATOM 0 HG12 ILE A 73 0.707 -12.118 -9.304 1.00 62.21 H new ATOM 0 HG13 ILE A 73 2.273 -12.395 -10.041 1.00 62.21 H new ATOM 0 HG21 ILE A 73 3.549 -14.508 -9.496 1.00 11.42 H new ATOM 0 HG22 ILE A 73 2.934 -15.602 -8.234 1.00 11.42 H new ATOM 0 HG23 ILE A 73 2.137 -15.541 -9.824 1.00 11.42 H new ATOM 0 HD11 ILE A 73 0.466 -12.830 -11.632 1.00 53.13 H new ATOM 0 HD12 ILE A 73 1.363 -14.327 -11.281 1.00 53.13 H new ATOM 0 HD13 ILE A 73 -0.227 -14.046 -10.532 1.00 53.13 H new ATOM 834 N PRO B 150 14.200 18.185 -2.236 1.00 54.40 N ATOM 835 CA PRO B 150 14.571 16.996 -1.465 1.00 23.44 C ATOM 836 C PRO B 150 13.491 16.588 -0.469 1.00 71.33 C ATOM 837 O PRO B 150 13.542 15.501 0.108 1.00 71.11 O ATOM 838 CB PRO B 150 15.841 17.431 -0.730 1.00 53.04 C ATOM 839 CG PRO B 150 15.729 18.914 -0.628 1.00 74.20 C ATOM 840 CD PRO B 150 15.008 19.360 -1.870 1.00 54.13 C ATOM 0 HA PRO B 150 14.710 16.124 -2.104 1.00 23.44 H new ATOM 0 HB2 PRO B 150 15.906 16.970 0.256 1.00 53.04 H new ATOM 0 HB3 PRO B 150 16.736 17.138 -1.279 1.00 53.04 H new ATOM 0 HG2 PRO B 150 15.179 19.203 0.268 1.00 74.20 H new ATOM 0 HG3 PRO B 150 16.714 19.376 -0.561 1.00 74.20 H new ATOM 0 HD2 PRO B 150 14.384 20.233 -1.681 1.00 54.13 H new ATOM 0 HD3 PRO B 150 15.704 19.632 -2.663 1.00 54.13 H new ATOM 848 N LEU B 151 12.515 17.467 -0.272 1.00 2.34 N ATOM 849 CA LEU B 151 11.421 17.198 0.656 1.00 12.21 C ATOM 850 C LEU B 151 10.351 16.330 0.000 1.00 13.01 C ATOM 851 O LEU B 151 9.587 15.645 0.681 1.00 52.52 O ATOM 852 CB LEU B 151 10.802 18.511 1.139 1.00 2.32 C ATOM 853 CG LEU B 151 11.558 19.240 2.251 1.00 13.14 C ATOM 854 CD1 LEU B 151 11.930 20.647 1.809 1.00 3.11 C ATOM 855 CD2 LEU B 151 10.726 19.281 3.524 1.00 13.14 C ATOM 0 H LEU B 151 12.458 18.371 -0.741 1.00 2.34 H new ATOM 0 HA LEU B 151 11.827 16.658 1.511 1.00 12.21 H new ATOM 0 HB2 LEU B 151 10.714 19.183 0.286 1.00 2.32 H new ATOM 0 HB3 LEU B 151 9.790 18.306 1.489 1.00 2.32 H new ATOM 0 HG LEU B 151 12.477 18.692 2.460 1.00 13.14 H new ATOM 0 HD11 LEU B 151 12.467 21.151 2.613 1.00 3.11 H new ATOM 0 HD12 LEU B 151 12.565 20.595 0.925 1.00 3.11 H new ATOM 0 HD13 LEU B 151 11.024 21.205 1.572 1.00 3.11 H new ATOM 0 HD21 LEU B 151 11.280 19.803 4.304 1.00 13.14 H new ATOM 0 HD22 LEU B 151 9.790 19.805 3.330 1.00 13.14 H new ATOM 0 HD23 LEU B 151 10.511 18.264 3.851 1.00 13.14 H new ATOM 867 N THR B 152 10.303 16.362 -1.329 1.00 61.31 N ATOM 868 CA THR B 152 9.330 15.577 -2.077 1.00 13.31 C ATOM 869 C THR B 152 9.465 14.091 -1.767 1.00 14.21 C ATOM 870 O THR B 152 8.478 13.357 -1.759 1.00 12.32 O ATOM 871 CB THR B 152 9.484 15.789 -3.595 1.00 74.14 C ATOM 872 OG1 THR B 152 9.453 17.189 -3.900 1.00 1.33 O ATOM 873 CG2 THR B 152 8.380 15.074 -4.357 1.00 34.43 C ATOM 0 H THR B 152 10.927 16.923 -1.908 1.00 61.31 H new ATOM 0 HA THR B 152 8.343 15.921 -1.768 1.00 13.31 H new ATOM 0 HB THR B 152 10.443 15.372 -3.902 1.00 74.14 H new ATOM 0 HG1 THR B 152 9.553 17.316 -4.867 1.00 1.33 H new ATOM 0 HG21 THR B 152 8.511 15.239 -5.427 1.00 34.43 H new ATOM 0 HG22 THR B 152 8.425 14.006 -4.146 1.00 34.43 H new ATOM 0 HG23 THR B 152 7.411 15.464 -4.045 1.00 34.43 H new ATOM 881 N SER B 153 10.694 13.654 -1.512 1.00 3.51 N ATOM 882 CA SER B 153 10.959 12.254 -1.204 1.00 4.40 C ATOM 883 C SER B 153 10.345 11.867 0.138 1.00 64.23 C ATOM 884 O SER B 153 9.532 10.947 0.220 1.00 52.33 O ATOM 885 CB SER B 153 12.465 11.990 -1.184 1.00 33.23 C ATOM 886 OG SER B 153 13.150 12.996 -0.458 1.00 65.11 O ATOM 0 H SER B 153 11.522 14.250 -1.513 1.00 3.51 H new ATOM 0 HA SER B 153 10.501 11.644 -1.983 1.00 4.40 H new ATOM 0 HB2 SER B 153 12.661 11.016 -0.735 1.00 33.23 H new ATOM 0 HB3 SER B 153 12.844 11.952 -2.205 1.00 33.23 H new ATOM 0 HG SER B 153 14.111 12.803 -0.459 1.00 65.11 H new ATOM 892 N ILE B 154 10.743 12.578 1.190 1.00 34.23 N ATOM 893 CA ILE B 154 10.232 12.310 2.528 1.00 43.23 C ATOM 894 C ILE B 154 8.708 12.275 2.539 1.00 52.11 C ATOM 895 O ILE B 154 8.101 11.382 3.132 1.00 74.32 O ATOM 896 CB ILE B 154 10.716 13.368 3.537 1.00 62.05 C ATOM 897 CG1 ILE B 154 12.246 13.404 3.576 1.00 43.51 C ATOM 898 CG2 ILE B 154 10.152 13.080 4.920 1.00 21.12 C ATOM 899 CD1 ILE B 154 12.869 12.108 4.046 1.00 42.43 C ATOM 0 H ILE B 154 11.417 13.342 1.140 1.00 34.23 H new ATOM 0 HA ILE B 154 10.617 11.334 2.823 1.00 43.23 H new ATOM 0 HB ILE B 154 10.356 14.346 3.217 1.00 62.05 H new ATOM 0 HG12 ILE B 154 12.621 13.638 2.580 1.00 43.51 H new ATOM 0 HG13 ILE B 154 12.566 14.211 4.235 1.00 43.51 H new ATOM 0 HG21 ILE B 154 10.504 13.837 5.621 1.00 21.12 H new ATOM 0 HG22 ILE B 154 9.063 13.100 4.880 1.00 21.12 H new ATOM 0 HG23 ILE B 154 10.485 12.096 5.251 1.00 21.12 H new ATOM 0 HD11 ILE B 154 13.955 12.206 4.049 1.00 42.43 H new ATOM 0 HD12 ILE B 154 12.523 11.883 5.055 1.00 42.43 H new ATOM 0 HD13 ILE B 154 12.579 11.300 3.374 1.00 42.43 H new ATOM 911 N ILE B 155 8.094 13.251 1.877 1.00 32.43 N ATOM 912 CA ILE B 155 6.640 13.329 1.808 1.00 73.43 C ATOM 913 C ILE B 155 6.065 12.171 0.999 1.00 41.40 C ATOM 914 O ILE B 155 5.068 11.563 1.390 1.00 72.05 O ATOM 915 CB ILE B 155 6.178 14.657 1.180 1.00 73.34 C ATOM 916 CG1 ILE B 155 6.709 15.842 1.990 1.00 74.52 C ATOM 917 CG2 ILE B 155 4.660 14.704 1.097 1.00 0.44 C ATOM 918 CD1 ILE B 155 6.431 17.184 1.351 1.00 14.44 C ATOM 0 H ILE B 155 8.581 13.998 1.381 1.00 32.43 H new ATOM 0 HA ILE B 155 6.272 13.272 2.832 1.00 73.43 H new ATOM 0 HB ILE B 155 6.580 14.723 0.169 1.00 73.34 H new ATOM 0 HG12 ILE B 155 6.261 15.822 2.984 1.00 74.52 H new ATOM 0 HG13 ILE B 155 7.785 15.728 2.123 1.00 74.52 H new ATOM 0 HG21 ILE B 155 4.349 15.649 0.651 1.00 0.44 H new ATOM 0 HG22 ILE B 155 4.303 13.878 0.482 1.00 0.44 H new ATOM 0 HG23 ILE B 155 4.238 14.619 2.098 1.00 0.44 H new ATOM 0 HD11 ILE B 155 6.835 17.977 1.980 1.00 14.44 H new ATOM 0 HD12 ILE B 155 6.902 17.224 0.369 1.00 14.44 H new ATOM 0 HD13 ILE B 155 5.355 17.320 1.243 1.00 14.44 H new ATOM 930 N SER B 156 6.701 11.869 -0.128 1.00 41.33 N ATOM 931 CA SER B 156 6.251 10.784 -0.992 1.00 71.33 C ATOM 932 C SER B 156 6.315 9.446 -0.262 1.00 42.03 C ATOM 933 O SER B 156 5.411 8.620 -0.378 1.00 14.52 O ATOM 934 CB SER B 156 7.105 10.728 -2.260 1.00 22.41 C ATOM 935 OG SER B 156 6.641 11.650 -3.230 1.00 50.11 O ATOM 0 H SER B 156 7.529 12.360 -0.464 1.00 41.33 H new ATOM 0 HA SER B 156 5.214 10.977 -1.268 1.00 71.33 H new ATOM 0 HB2 SER B 156 8.143 10.948 -2.012 1.00 22.41 H new ATOM 0 HB3 SER B 156 7.083 9.719 -2.673 1.00 22.41 H new ATOM 0 HG SER B 156 7.072 12.518 -3.089 1.00 50.11 H new ATOM 941 N ALA B 157 7.391 9.240 0.489 1.00 44.43 N ATOM 942 CA ALA B 157 7.573 8.005 1.241 1.00 23.31 C ATOM 943 C ALA B 157 6.506 7.855 2.319 1.00 45.41 C ATOM 944 O ALA B 157 5.888 6.799 2.454 1.00 3.45 O ATOM 945 CB ALA B 157 8.962 7.963 1.861 1.00 0.13 C ATOM 0 H ALA B 157 8.151 9.913 0.593 1.00 44.43 H new ATOM 0 HA ALA B 157 7.471 7.170 0.548 1.00 23.31 H new ATOM 0 HB1 ALA B 157 9.083 7.035 2.420 1.00 0.13 H new ATOM 0 HB2 ALA B 157 9.714 8.013 1.073 1.00 0.13 H new ATOM 0 HB3 ALA B 157 9.085 8.811 2.535 1.00 0.13 H new ATOM 951 N VAL B 158 6.293 8.920 3.087 1.00 22.40 N ATOM 952 CA VAL B 158 5.300 8.907 4.154 1.00 70.21 C ATOM 953 C VAL B 158 3.927 8.515 3.622 1.00 53.41 C ATOM 954 O VAL B 158 3.192 7.763 4.263 1.00 33.32 O ATOM 955 CB VAL B 158 5.199 10.282 4.843 1.00 3.34 C ATOM 956 CG1 VAL B 158 4.102 10.271 5.897 1.00 53.31 C ATOM 957 CG2 VAL B 158 6.536 10.670 5.456 1.00 3.03 C ATOM 0 H VAL B 158 6.795 9.802 2.989 1.00 22.40 H new ATOM 0 HA VAL B 158 5.628 8.166 4.883 1.00 70.21 H new ATOM 0 HB VAL B 158 4.940 11.028 4.092 1.00 3.34 H new ATOM 0 HG11 VAL B 158 4.045 11.250 6.373 1.00 53.31 H new ATOM 0 HG12 VAL B 158 3.147 10.041 5.425 1.00 53.31 H new ATOM 0 HG13 VAL B 158 4.327 9.514 6.649 1.00 53.31 H new ATOM 0 HG21 VAL B 158 6.446 11.643 5.938 1.00 3.03 H new ATOM 0 HG22 VAL B 158 6.827 9.924 6.196 1.00 3.03 H new ATOM 0 HG23 VAL B 158 7.294 10.721 4.674 1.00 3.03 H new ATOM 967 N VAL B 159 3.585 9.030 2.445 1.00 41.41 N ATOM 968 CA VAL B 159 2.300 8.733 1.824 1.00 3.04 C ATOM 969 C VAL B 159 2.184 7.252 1.482 1.00 33.00 C ATOM 970 O VAL B 159 1.176 6.611 1.778 1.00 61.34 O ATOM 971 CB VAL B 159 2.089 9.562 0.544 1.00 43.35 C ATOM 972 CG1 VAL B 159 0.765 9.204 -0.113 1.00 21.23 C ATOM 973 CG2 VAL B 159 2.152 11.050 0.858 1.00 34.54 C ATOM 0 H VAL B 159 4.181 9.655 1.902 1.00 41.41 H new ATOM 0 HA VAL B 159 1.530 8.997 2.549 1.00 3.04 H new ATOM 0 HB VAL B 159 2.890 9.326 -0.157 1.00 43.35 H new ATOM 0 HG11 VAL B 159 0.634 9.800 -1.016 1.00 21.23 H new ATOM 0 HG12 VAL B 159 0.763 8.146 -0.374 1.00 21.23 H new ATOM 0 HG13 VAL B 159 -0.052 9.409 0.579 1.00 21.23 H new ATOM 0 HG21 VAL B 159 2.001 11.622 -0.058 1.00 34.54 H new ATOM 0 HG22 VAL B 159 1.373 11.303 1.577 1.00 34.54 H new ATOM 0 HG23 VAL B 159 3.127 11.292 1.280 1.00 34.54 H new ATOM 983 N GLY B 160 3.225 6.712 0.854 1.00 44.41 N ATOM 984 CA GLY B 160 3.221 5.310 0.481 1.00 62.43 C ATOM 985 C GLY B 160 3.165 4.390 1.685 1.00 2.31 C ATOM 986 O GLY B 160 2.392 3.432 1.706 1.00 65.40 O ATOM 0 H GLY B 160 4.071 7.221 0.597 1.00 44.41 H new ATOM 0 HA2 GLY B 160 2.365 5.111 -0.164 1.00 62.43 H new ATOM 0 HA3 GLY B 160 4.116 5.089 -0.100 1.00 62.43 H new ATOM 990 N ILE B 161 3.987 4.680 2.688 1.00 62.15 N ATOM 991 CA ILE B 161 4.028 3.871 3.899 1.00 45.31 C ATOM 992 C ILE B 161 2.724 3.985 4.681 1.00 11.31 C ATOM 993 O ILE B 161 2.344 3.072 5.415 1.00 64.22 O ATOM 994 CB ILE B 161 5.198 4.283 4.812 1.00 43.24 C ATOM 995 CG1 ILE B 161 6.528 4.145 4.068 1.00 44.50 C ATOM 996 CG2 ILE B 161 5.204 3.441 6.080 1.00 1.13 C ATOM 997 CD1 ILE B 161 7.710 4.694 4.836 1.00 52.22 C ATOM 0 H ILE B 161 4.633 5.469 2.686 1.00 62.15 H new ATOM 0 HA ILE B 161 4.170 2.838 3.583 1.00 45.31 H new ATOM 0 HB ILE B 161 5.068 5.328 5.094 1.00 43.24 H new ATOM 0 HG12 ILE B 161 6.705 3.092 3.849 1.00 44.50 H new ATOM 0 HG13 ILE B 161 6.455 4.662 3.111 1.00 44.50 H new ATOM 0 HG21 ILE B 161 6.037 3.745 6.714 1.00 1.13 H new ATOM 0 HG22 ILE B 161 4.267 3.586 6.617 1.00 1.13 H new ATOM 0 HG23 ILE B 161 5.313 2.389 5.817 1.00 1.13 H new ATOM 0 HD11 ILE B 161 8.619 4.562 4.248 1.00 52.22 H new ATOM 0 HD12 ILE B 161 7.555 5.755 5.032 1.00 52.22 H new ATOM 0 HD13 ILE B 161 7.809 4.161 5.781 1.00 52.22 H new ATOM 1009 N LEU B 162 2.039 5.113 4.518 1.00 23.34 N ATOM 1010 CA LEU B 162 0.775 5.346 5.207 1.00 14.12 C ATOM 1011 C LEU B 162 -0.329 4.462 4.634 1.00 73.31 C ATOM 1012 O LEU B 162 -1.077 3.825 5.376 1.00 54.10 O ATOM 1013 CB LEU B 162 0.375 6.818 5.094 1.00 14.14 C ATOM 1014 CG LEU B 162 -0.886 7.231 5.855 1.00 33.23 C ATOM 1015 CD1 LEU B 162 -0.615 8.459 6.710 1.00 73.40 C ATOM 1016 CD2 LEU B 162 -2.031 7.494 4.887 1.00 75.24 C ATOM 0 H LEU B 162 2.338 5.879 3.915 1.00 23.34 H new ATOM 0 HA LEU B 162 0.910 5.091 6.258 1.00 14.12 H new ATOM 0 HB2 LEU B 162 1.206 7.428 5.449 1.00 14.14 H new ATOM 0 HB3 LEU B 162 0.233 7.055 4.040 1.00 14.14 H new ATOM 0 HG LEU B 162 -1.175 6.412 6.514 1.00 33.23 H new ATOM 0 HD11 LEU B 162 -1.523 8.738 7.244 1.00 73.40 H new ATOM 0 HD12 LEU B 162 0.174 8.235 7.428 1.00 73.40 H new ATOM 0 HD13 LEU B 162 -0.301 9.285 6.072 1.00 73.40 H new ATOM 0 HD21 LEU B 162 -2.920 7.787 5.446 1.00 75.24 H new ATOM 0 HD22 LEU B 162 -1.752 8.295 4.203 1.00 75.24 H new ATOM 0 HD23 LEU B 162 -2.242 6.588 4.318 1.00 75.24 H new ATOM 1028 N LEU B 163 -0.423 4.427 3.309 1.00 10.14 N ATOM 1029 CA LEU B 163 -1.434 3.619 2.635 1.00 42.40 C ATOM 1030 C LEU B 163 -1.204 2.133 2.893 1.00 32.10 C ATOM 1031 O LEU B 163 -2.152 1.368 3.068 1.00 12.14 O ATOM 1032 CB LEU B 163 -1.418 3.896 1.131 1.00 61.11 C ATOM 1033 CG LEU B 163 -2.769 3.813 0.419 1.00 62.22 C ATOM 1034 CD1 LEU B 163 -3.409 2.452 0.647 1.00 72.20 C ATOM 1035 CD2 LEU B 163 -3.692 4.924 0.894 1.00 54.14 C ATOM 0 H LEU B 163 0.188 4.948 2.680 1.00 10.14 H new ATOM 0 HA LEU B 163 -2.409 3.892 3.037 1.00 42.40 H new ATOM 0 HB2 LEU B 163 -1.005 4.892 0.970 1.00 61.11 H new ATOM 0 HB3 LEU B 163 -0.737 3.188 0.659 1.00 61.11 H new ATOM 0 HG LEU B 163 -2.602 3.940 -0.651 1.00 62.22 H new ATOM 0 HD11 LEU B 163 -4.369 2.411 0.133 1.00 72.20 H new ATOM 0 HD12 LEU B 163 -2.755 1.672 0.257 1.00 72.20 H new ATOM 0 HD13 LEU B 163 -3.562 2.296 1.715 1.00 72.20 H new ATOM 0 HD21 LEU B 163 -4.648 4.849 0.376 1.00 54.14 H new ATOM 0 HD22 LEU B 163 -3.852 4.830 1.968 1.00 54.14 H new ATOM 0 HD23 LEU B 163 -3.238 5.891 0.679 1.00 54.14 H new ATOM 1047 N VAL B 164 0.063 1.731 2.915 1.00 64.33 N ATOM 1048 CA VAL B 164 0.419 0.338 3.155 1.00 21.24 C ATOM 1049 C VAL B 164 -0.040 -0.118 4.535 1.00 51.14 C ATOM 1050 O VAL B 164 -0.758 -1.109 4.667 1.00 25.31 O ATOM 1051 CB VAL B 164 1.938 0.118 3.032 1.00 3.02 C ATOM 1052 CG1 VAL B 164 2.292 -1.334 3.317 1.00 22.20 C ATOM 1053 CG2 VAL B 164 2.427 0.533 1.653 1.00 12.02 C ATOM 0 H VAL B 164 0.860 2.351 2.769 1.00 64.33 H new ATOM 0 HA VAL B 164 -0.089 -0.254 2.394 1.00 21.24 H new ATOM 0 HB VAL B 164 2.439 0.742 3.773 1.00 3.02 H new ATOM 0 HG11 VAL B 164 3.370 -1.471 3.225 1.00 22.20 H new ATOM 0 HG12 VAL B 164 1.978 -1.593 4.328 1.00 22.20 H new ATOM 0 HG13 VAL B 164 1.782 -1.980 2.602 1.00 22.20 H new ATOM 0 HG21 VAL B 164 3.503 0.371 1.584 1.00 12.02 H new ATOM 0 HG22 VAL B 164 1.921 -0.062 0.893 1.00 12.02 H new ATOM 0 HG23 VAL B 164 2.208 1.589 1.492 1.00 12.02 H new ATOM 1063 N VAL B 165 0.378 0.615 5.563 1.00 4.14 N ATOM 1064 CA VAL B 165 0.008 0.287 6.935 1.00 70.40 C ATOM 1065 C VAL B 165 -1.503 0.161 7.082 1.00 33.33 C ATOM 1066 O VAL B 165 -2.004 -0.812 7.647 1.00 44.55 O ATOM 1067 CB VAL B 165 0.523 1.351 7.924 1.00 35.54 C ATOM 1068 CG1 VAL B 165 0.101 1.008 9.344 1.00 12.41 C ATOM 1069 CG2 VAL B 165 2.035 1.482 7.825 1.00 73.03 C ATOM 0 H VAL B 165 0.972 1.439 5.472 1.00 4.14 H new ATOM 0 HA VAL B 165 0.473 -0.671 7.168 1.00 70.40 H new ATOM 0 HB VAL B 165 0.080 2.312 7.661 1.00 35.54 H new ATOM 0 HG11 VAL B 165 0.473 1.770 10.028 1.00 12.41 H new ATOM 0 HG12 VAL B 165 -0.987 0.969 9.401 1.00 12.41 H new ATOM 0 HG13 VAL B 165 0.513 0.038 9.622 1.00 12.41 H new ATOM 0 HG21 VAL B 165 2.382 2.237 8.530 1.00 73.03 H new ATOM 0 HG22 VAL B 165 2.499 0.525 8.061 1.00 73.03 H new ATOM 0 HG23 VAL B 165 2.309 1.778 6.812 1.00 73.03 H new ATOM 1079 N VAL B 166 -2.226 1.151 6.569 1.00 11.45 N ATOM 1080 CA VAL B 166 -3.683 1.151 6.640 1.00 5.32 C ATOM 1081 C VAL B 166 -4.264 -0.117 6.024 1.00 62.43 C ATOM 1082 O VAL B 166 -5.229 -0.685 6.538 1.00 35.00 O ATOM 1083 CB VAL B 166 -4.281 2.376 5.925 1.00 43.00 C ATOM 1084 CG1 VAL B 166 -5.801 2.341 5.985 1.00 62.11 C ATOM 1085 CG2 VAL B 166 -3.744 3.663 6.535 1.00 4.33 C ATOM 0 H VAL B 166 -1.827 1.964 6.099 1.00 11.45 H new ATOM 0 HA VAL B 166 -3.947 1.192 7.697 1.00 5.32 H new ATOM 0 HB VAL B 166 -3.983 2.345 4.877 1.00 43.00 H new ATOM 0 HG11 VAL B 166 -6.206 3.215 5.474 1.00 62.11 H new ATOM 0 HG12 VAL B 166 -6.164 1.436 5.498 1.00 62.11 H new ATOM 0 HG13 VAL B 166 -6.124 2.347 7.026 1.00 62.11 H new ATOM 0 HG21 VAL B 166 -4.177 4.519 6.018 1.00 4.33 H new ATOM 0 HG22 VAL B 166 -4.011 3.704 7.591 1.00 4.33 H new ATOM 0 HG23 VAL B 166 -2.659 3.689 6.434 1.00 4.33 H new ATOM 1095 N LEU B 167 -3.669 -0.557 4.921 1.00 34.45 N ATOM 1096 CA LEU B 167 -4.127 -1.759 4.233 1.00 31.53 C ATOM 1097 C LEU B 167 -3.942 -2.993 5.111 1.00 13.45 C ATOM 1098 O LEU B 167 -4.866 -3.787 5.286 1.00 45.42 O ATOM 1099 CB LEU B 167 -3.368 -1.938 2.917 1.00 34.11 C ATOM 1100 CG LEU B 167 -4.047 -2.815 1.864 1.00 31.10 C ATOM 1101 CD1 LEU B 167 -5.063 -2.006 1.072 1.00 21.34 C ATOM 1102 CD2 LEU B 167 -3.011 -3.430 0.934 1.00 21.42 C ATOM 0 H LEU B 167 -2.869 -0.100 4.484 1.00 34.45 H new ATOM 0 HA LEU B 167 -5.190 -1.643 4.020 1.00 31.53 H new ATOM 0 HB2 LEU B 167 -3.195 -0.953 2.484 1.00 34.11 H new ATOM 0 HB3 LEU B 167 -2.390 -2.364 3.140 1.00 34.11 H new ATOM 0 HG LEU B 167 -4.573 -3.622 2.374 1.00 31.10 H new ATOM 0 HD11 LEU B 167 -5.537 -2.646 0.327 1.00 21.34 H new ATOM 0 HD12 LEU B 167 -5.822 -1.613 1.748 1.00 21.34 H new ATOM 0 HD13 LEU B 167 -4.559 -1.179 0.572 1.00 21.34 H new ATOM 0 HD21 LEU B 167 -3.512 -4.051 0.191 1.00 21.42 H new ATOM 0 HD22 LEU B 167 -2.458 -2.637 0.431 1.00 21.42 H new ATOM 0 HD23 LEU B 167 -2.321 -4.043 1.513 1.00 21.42 H new ATOM 1114 N GLY B 168 -2.742 -3.146 5.663 1.00 10.45 N ATOM 1115 CA GLY B 168 -2.459 -4.284 6.518 1.00 31.10 C ATOM 1116 C GLY B 168 -3.424 -4.388 7.682 1.00 23.24 C ATOM 1117 O GLY B 168 -3.914 -5.474 7.997 1.00 73.33 O ATOM 0 H GLY B 168 -1.961 -2.503 5.533 1.00 10.45 H new ATOM 0 HA2 GLY B 168 -2.507 -5.199 5.928 1.00 31.10 H new ATOM 0 HA3 GLY B 168 -1.441 -4.204 6.900 1.00 31.10 H new ATOM 1121 N VAL B 169 -3.698 -3.258 8.325 1.00 43.30 N ATOM 1122 CA VAL B 169 -4.611 -3.226 9.462 1.00 24.43 C ATOM 1123 C VAL B 169 -5.997 -3.723 9.068 1.00 31.34 C ATOM 1124 O VAL B 169 -6.580 -4.571 9.743 1.00 42.53 O ATOM 1125 CB VAL B 169 -4.732 -1.807 10.045 1.00 51.15 C ATOM 1126 CG1 VAL B 169 -5.732 -1.783 11.191 1.00 14.15 C ATOM 1127 CG2 VAL B 169 -3.372 -1.301 10.504 1.00 22.02 C ATOM 0 H VAL B 169 -3.301 -2.352 8.078 1.00 43.30 H new ATOM 0 HA VAL B 169 -4.194 -3.887 10.221 1.00 24.43 H new ATOM 0 HB VAL B 169 -5.097 -1.142 9.262 1.00 51.15 H new ATOM 0 HG11 VAL B 169 -5.804 -0.771 11.590 1.00 14.15 H new ATOM 0 HG12 VAL B 169 -6.710 -2.100 10.828 1.00 14.15 H new ATOM 0 HG13 VAL B 169 -5.400 -2.461 11.978 1.00 14.15 H new ATOM 0 HG21 VAL B 169 -3.477 -0.296 10.913 1.00 22.02 H new ATOM 0 HG22 VAL B 169 -2.976 -1.966 11.272 1.00 22.02 H new ATOM 0 HG23 VAL B 169 -2.687 -1.278 9.656 1.00 22.02 H new ATOM 1137 N VAL B 170 -6.520 -3.189 7.968 1.00 42.04 N ATOM 1138 CA VAL B 170 -7.838 -3.578 7.481 1.00 65.14 C ATOM 1139 C VAL B 170 -7.900 -5.076 7.202 1.00 32.21 C ATOM 1140 O VAL B 170 -8.774 -5.778 7.710 1.00 54.24 O ATOM 1141 CB VAL B 170 -8.212 -2.811 6.199 1.00 4.11 C ATOM 1142 CG1 VAL B 170 -9.623 -3.167 5.757 1.00 53.11 C ATOM 1143 CG2 VAL B 170 -8.075 -1.311 6.418 1.00 21.55 C ATOM 0 H VAL B 170 -6.051 -2.486 7.398 1.00 42.04 H new ATOM 0 HA VAL B 170 -8.552 -3.328 8.265 1.00 65.14 H new ATOM 0 HB VAL B 170 -7.524 -3.104 5.406 1.00 4.11 H new ATOM 0 HG11 VAL B 170 -9.870 -2.616 4.850 1.00 53.11 H new ATOM 0 HG12 VAL B 170 -9.683 -4.237 5.559 1.00 53.11 H new ATOM 0 HG13 VAL B 170 -10.328 -2.904 6.545 1.00 53.11 H new ATOM 0 HG21 VAL B 170 -8.343 -0.784 5.502 1.00 21.55 H new ATOM 0 HG22 VAL B 170 -8.739 -0.999 7.224 1.00 21.55 H new ATOM 0 HG23 VAL B 170 -7.045 -1.075 6.684 1.00 21.55 H new ATOM 1153 N PHE B 171 -6.966 -5.559 6.388 1.00 2.10 N ATOM 1154 CA PHE B 171 -6.915 -6.974 6.039 1.00 45.45 C ATOM 1155 C PHE B 171 -6.924 -7.844 7.293 1.00 23.40 C ATOM 1156 O PHE B 171 -7.751 -8.744 7.431 1.00 31.44 O ATOM 1157 CB PHE B 171 -5.665 -7.270 5.207 1.00 24.41 C ATOM 1158 CG PHE B 171 -5.773 -8.526 4.390 1.00 61.10 C ATOM 1159 CD1 PHE B 171 -6.870 -8.743 3.572 1.00 20.53 C ATOM 1160 CD2 PHE B 171 -4.778 -9.488 4.439 1.00 45.14 C ATOM 1161 CE1 PHE B 171 -6.972 -9.898 2.819 1.00 50.22 C ATOM 1162 CE2 PHE B 171 -4.874 -10.645 3.689 1.00 72.01 C ATOM 1163 CZ PHE B 171 -5.973 -10.850 2.877 1.00 73.15 C ATOM 0 H PHE B 171 -6.235 -4.992 5.958 1.00 2.10 H new ATOM 0 HA PHE B 171 -7.800 -7.210 5.449 1.00 45.45 H new ATOM 0 HB2 PHE B 171 -5.473 -6.428 4.541 1.00 24.41 H new ATOM 0 HB3 PHE B 171 -4.806 -7.352 5.873 1.00 24.41 H new ATOM 0 HD1 PHE B 171 -7.654 -8.002 3.522 1.00 20.53 H new ATOM 0 HD2 PHE B 171 -3.916 -9.332 5.071 1.00 45.14 H new ATOM 0 HE1 PHE B 171 -7.832 -10.056 2.186 1.00 50.22 H new ATOM 0 HE2 PHE B 171 -4.091 -11.388 3.738 1.00 72.01 H new ATOM 0 HZ PHE B 171 -6.051 -11.753 2.289 1.00 73.15 H new ATOM 1173 N GLY B 172 -5.995 -7.568 8.204 1.00 2.31 N ATOM 1174 CA GLY B 172 -5.913 -8.334 9.434 1.00 31.15 C ATOM 1175 C GLY B 172 -7.240 -8.406 10.163 1.00 35.50 C ATOM 1176 O GLY B 172 -7.765 -9.493 10.405 1.00 34.45 O ATOM 0 H GLY B 172 -5.299 -6.828 8.112 1.00 2.31 H new ATOM 0 HA2 GLY B 172 -5.572 -9.344 9.207 1.00 31.15 H new ATOM 0 HA3 GLY B 172 -5.166 -7.885 10.089 1.00 31.15 H new ATOM 1180 N ILE B 173 -7.782 -7.246 10.516 1.00 32.13 N ATOM 1181 CA ILE B 173 -9.056 -7.183 11.222 1.00 75.24 C ATOM 1182 C ILE B 173 -10.158 -7.879 10.432 1.00 20.05 C ATOM 1183 O ILE B 173 -11.002 -8.573 11.002 1.00 15.01 O ATOM 1184 CB ILE B 173 -9.477 -5.725 11.493 1.00 1.22 C ATOM 1185 CG1 ILE B 173 -8.409 -5.009 12.321 1.00 52.14 C ATOM 1186 CG2 ILE B 173 -10.821 -5.687 12.205 1.00 20.41 C ATOM 1187 CD1 ILE B 173 -8.227 -5.589 13.705 1.00 64.42 C ATOM 0 H ILE B 173 -7.360 -6.337 10.325 1.00 32.13 H new ATOM 0 HA ILE B 173 -8.915 -7.696 12.173 1.00 75.24 H new ATOM 0 HB ILE B 173 -9.578 -5.207 10.539 1.00 1.22 H new ATOM 0 HG12 ILE B 173 -7.458 -5.054 11.789 1.00 52.14 H new ATOM 0 HG13 ILE B 173 -8.675 -3.956 12.410 1.00 52.14 H new ATOM 0 HG21 ILE B 173 -11.106 -4.651 12.390 1.00 20.41 H new ATOM 0 HG22 ILE B 173 -11.577 -6.165 11.582 1.00 20.41 H new ATOM 0 HG23 ILE B 173 -10.745 -6.217 13.154 1.00 20.41 H new ATOM 0 HD11 ILE B 173 -7.454 -5.032 14.234 1.00 64.42 H new ATOM 0 HD12 ILE B 173 -9.166 -5.520 14.255 1.00 64.42 H new ATOM 0 HD13 ILE B 173 -7.930 -6.635 13.625 1.00 64.42 H new ATOM 1199 N LEU B 174 -10.144 -7.693 9.117 1.00 2.21 N ATOM 1200 CA LEU B 174 -11.142 -8.306 8.247 1.00 75.03 C ATOM 1201 C LEU B 174 -11.109 -9.826 8.366 1.00 62.54 C ATOM 1202 O LEU B 174 -12.102 -10.451 8.740 1.00 34.33 O ATOM 1203 CB LEU B 174 -10.903 -7.892 6.794 1.00 34.14 C ATOM 1204 CG LEU B 174 -11.467 -6.532 6.381 1.00 41.44 C ATOM 1205 CD1 LEU B 174 -11.115 -6.224 4.935 1.00 33.41 C ATOM 1206 CD2 LEU B 174 -12.975 -6.497 6.584 1.00 1.01 C ATOM 0 H LEU B 174 -9.453 -7.123 8.630 1.00 2.21 H new ATOM 0 HA LEU B 174 -12.126 -7.957 8.561 1.00 75.03 H new ATOM 0 HB2 LEU B 174 -9.829 -7.888 6.611 1.00 34.14 H new ATOM 0 HB3 LEU B 174 -11.334 -8.654 6.145 1.00 34.14 H new ATOM 0 HG LEU B 174 -11.017 -5.767 7.013 1.00 41.44 H new ATOM 0 HD11 LEU B 174 -11.525 -5.252 4.660 1.00 33.41 H new ATOM 0 HD12 LEU B 174 -10.031 -6.206 4.820 1.00 33.41 H new ATOM 0 HD13 LEU B 174 -11.536 -6.992 4.286 1.00 33.41 H new ATOM 0 HD21 LEU B 174 -13.360 -5.522 6.285 1.00 1.01 H new ATOM 0 HD22 LEU B 174 -13.442 -7.273 5.977 1.00 1.01 H new ATOM 0 HD23 LEU B 174 -13.205 -6.671 7.635 1.00 1.01 H new ATOM 1218 N ILE B 175 -9.961 -10.415 8.049 1.00 72.33 N ATOM 1219 CA ILE B 175 -9.797 -11.861 8.125 1.00 55.31 C ATOM 1220 C ILE B 175 -10.193 -12.387 9.500 1.00 30.34 C ATOM 1221 O ILE B 175 -10.883 -13.401 9.614 1.00 32.22 O ATOM 1222 CB ILE B 175 -8.345 -12.280 7.825 1.00 12.43 C ATOM 1223 CG1 ILE B 175 -7.928 -11.793 6.436 1.00 22.41 C ATOM 1224 CG2 ILE B 175 -8.198 -13.790 7.929 1.00 3.31 C ATOM 1225 CD1 ILE B 175 -6.445 -11.935 6.167 1.00 50.33 C ATOM 0 H ILE B 175 -9.130 -9.912 7.737 1.00 72.33 H new ATOM 0 HA ILE B 175 -10.454 -12.293 7.370 1.00 55.31 H new ATOM 0 HB ILE B 175 -7.689 -11.819 8.563 1.00 12.43 H new ATOM 0 HG12 ILE B 175 -8.481 -12.353 5.682 1.00 22.41 H new ATOM 0 HG13 ILE B 175 -8.211 -10.746 6.327 1.00 22.41 H new ATOM 0 HG21 ILE B 175 -7.167 -14.071 7.714 1.00 3.31 H new ATOM 0 HG22 ILE B 175 -8.460 -14.112 8.937 1.00 3.31 H new ATOM 0 HG23 ILE B 175 -8.862 -14.271 7.210 1.00 3.31 H new ATOM 0 HD11 ILE B 175 -6.221 -11.571 5.165 1.00 50.33 H new ATOM 0 HD12 ILE B 175 -5.885 -11.352 6.899 1.00 50.33 H new ATOM 0 HD13 ILE B 175 -6.160 -12.984 6.244 1.00 50.33 H new ATOM 1237 N LYS B 176 -9.754 -11.692 10.543 1.00 51.33 N ATOM 1238 CA LYS B 176 -10.065 -12.086 11.911 1.00 24.22 C ATOM 1239 C LYS B 176 -11.572 -12.104 12.144 1.00 20.14 C ATOM 1240 O LYS B 176 -12.109 -13.047 12.727 1.00 54.44 O ATOM 1241 CB LYS B 176 -9.396 -11.131 12.904 1.00 31.15 C ATOM 1242 CG LYS B 176 -7.981 -11.535 13.276 1.00 64.32 C ATOM 1243 CD LYS B 176 -7.092 -10.321 13.489 1.00 2.44 C ATOM 1244 CE LYS B 176 -6.007 -10.598 14.517 1.00 44.13 C ATOM 1245 NZ LYS B 176 -4.761 -11.113 13.884 1.00 3.44 N ATOM 0 H LYS B 176 -9.181 -10.852 10.467 1.00 51.33 H new ATOM 0 HA LYS B 176 -9.679 -13.093 12.068 1.00 24.22 H new ATOM 0 HB2 LYS B 176 -9.378 -10.129 12.476 1.00 31.15 H new ATOM 0 HB3 LYS B 176 -10.000 -11.080 13.810 1.00 31.15 H new ATOM 0 HG2 LYS B 176 -8.000 -12.137 14.185 1.00 64.32 H new ATOM 0 HG3 LYS B 176 -7.561 -12.161 12.488 1.00 64.32 H new ATOM 0 HD2 LYS B 176 -6.633 -10.034 12.543 1.00 2.44 H new ATOM 0 HD3 LYS B 176 -7.699 -9.477 13.818 1.00 2.44 H new ATOM 0 HE2 LYS B 176 -5.784 -9.683 15.065 1.00 44.13 H new ATOM 0 HE3 LYS B 176 -6.372 -11.324 15.244 1.00 44.13 H new ATOM 0 HZ1 LYS B 176 -4.046 -11.289 14.618 1.00 3.44 H new ATOM 0 HZ2 LYS B 176 -4.968 -12.000 13.382 1.00 3.44 H new ATOM 0 HZ3 LYS B 176 -4.398 -10.410 13.209 1.00 3.44 H new ATOM 1259 N ARG B 177 -12.250 -11.058 11.684 1.00 74.24 N ATOM 1260 CA ARG B 177 -13.695 -10.953 11.841 1.00 3.25 C ATOM 1261 C ARG B 177 -14.405 -12.097 11.120 1.00 73.12 C ATOM 1262 O ARG B 177 -15.316 -12.718 11.667 1.00 14.42 O ATOM 1263 CB ARG B 177 -14.193 -9.611 11.305 1.00 32.12 C ATOM 1264 CG ARG B 177 -14.336 -8.542 12.375 1.00 62.14 C ATOM 1265 CD ARG B 177 -15.456 -7.568 12.045 1.00 42.24 C ATOM 1266 NE ARG B 177 -16.664 -7.841 12.819 1.00 22.44 N ATOM 1267 CZ ARG B 177 -17.713 -7.027 12.856 1.00 54.20 C ATOM 1268 NH1 ARG B 177 -17.702 -5.894 12.166 1.00 65.35 N ATOM 1269 NH2 ARG B 177 -18.776 -7.345 13.583 1.00 4.43 N ATOM 0 H ARG B 177 -11.821 -10.270 11.199 1.00 74.24 H new ATOM 0 HA ARG B 177 -13.925 -11.018 12.905 1.00 3.25 H new ATOM 0 HB2 ARG B 177 -13.503 -9.257 10.540 1.00 32.12 H new ATOM 0 HB3 ARG B 177 -15.158 -9.759 10.820 1.00 32.12 H new ATOM 0 HG2 ARG B 177 -14.535 -9.014 13.337 1.00 62.14 H new ATOM 0 HG3 ARG B 177 -13.397 -7.998 12.475 1.00 62.14 H new ATOM 0 HD2 ARG B 177 -15.121 -6.550 12.243 1.00 42.24 H new ATOM 0 HD3 ARG B 177 -15.686 -7.627 10.981 1.00 42.24 H new ATOM 0 HE ARG B 177 -16.704 -8.704 13.361 1.00 22.44 H new ATOM 0 HH11 ARG B 177 -16.887 -5.646 11.605 1.00 65.35 H new ATOM 0 HH12 ARG B 177 -18.509 -5.271 12.196 1.00 65.35 H new ATOM 0 HH21 ARG B 177 -18.789 -8.215 14.115 1.00 4.43 H new ATOM 0 HH22 ARG B 177 -19.581 -6.719 13.611 1.00 4.43 H new