USER MOD reduce.3.24.130724 H: found=0, std=0, add=552, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 550 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 118 LYS NZ :NH3+ -179:sc= -1.37 (180deg=-1.38) USER MOD Set 2.1: A 95 HIS : no HD1:sc= -0.98 K(o=-1.4,f=-2.1) USER MOD Set 2.2: A 114 SER OG : rot -100:sc= -0.389 USER MOD Set 3.1: A 53 ASN : amide:sc= -1.69 K(o=-9.6,f=-7.8) USER MOD Set 3.2: A 76 HIS : no HD1:sc= -7.89! C(o=-9.6!,f=-8.3!) USER MOD Set 4.1: A 47 THR OG1 : rot 14:sc= -1.72! USER MOD Set 4.2: A 83 SER OG : rot -65:sc= -0.264 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot -60:sc= -0.265 USER MOD Single : A 39 LYS NZ :NH3+ 148:sc= 0.508 (180deg=-0.252) USER MOD Single : A 45 SER OG : rot 180:sc= -0.632 USER MOD Single : A 48 HIS : no HD1:sc= -0.0649 X(o=-0.065,f=-0.071) USER MOD Single : A 50 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0169) USER MOD Single : A 55 SER OG : rot 94:sc= 0.552 USER MOD Single : A 75 THR OG1 : rot -32:sc= -0.395 USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 THR OG1 : rot 33:sc= 1.14 USER MOD Single : A 96 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot -114:sc= 0.908 USER MOD Single : A 107 LYS NZ :NH3+ 167:sc= -0.0581 (180deg=-0.27) USER MOD Single : A 111 HIS : no HD1:sc= -0.0388 X(o=-0.039,f=-0.088) USER MOD Single : A 115 MET CE :methyl -114:sc= 0 (180deg=-0.163) USER MOD Single : A 116 THR OG1 : rot -83:sc= -1.6 USER MOD Single : A 117 THR OG1 : rot 180:sc= -0.649 USER MOD Single : A 119 THR OG1 : rot 180:sc= 0.0958 USER MOD ----------------------------------------------------------------- ATOM 153 N ALA A 35 1.125 6.532 8.051 1.00 10.30 N ATOM 154 CA ALA A 35 0.682 5.836 6.849 1.00 14.31 C ATOM 155 C ALA A 35 -0.535 4.963 7.137 1.00 4.44 C ATOM 156 O ALA A 35 -1.331 4.679 6.243 1.00 52.45 O ATOM 157 CB ALA A 35 1.814 4.996 6.279 1.00 63.41 C ATOM 0 HA ALA A 35 0.393 6.584 6.111 1.00 14.31 H new ATOM 0 HB1 ALA A 35 1.469 4.482 5.382 1.00 63.41 H new ATOM 0 HB2 ALA A 35 2.655 5.642 6.027 1.00 63.41 H new ATOM 0 HB3 ALA A 35 2.130 4.261 7.019 1.00 63.41 H new ATOM 163 N ILE A 36 -0.671 4.541 8.390 1.00 40.25 N ATOM 164 CA ILE A 36 -1.791 3.701 8.794 1.00 73.32 C ATOM 165 C ILE A 36 -3.119 4.297 8.336 1.00 21.41 C ATOM 166 O ILE A 36 -4.068 3.570 8.040 1.00 52.42 O ATOM 167 CB ILE A 36 -1.828 3.509 10.322 1.00 4.21 C ATOM 168 CG1 ILE A 36 -2.512 2.187 10.675 1.00 14.35 C ATOM 169 CG2 ILE A 36 -2.544 4.676 10.986 1.00 53.24 C ATOM 170 CD1 ILE A 36 -1.650 1.264 11.508 1.00 71.23 C ATOM 0 H ILE A 36 -0.020 4.767 9.142 1.00 40.25 H new ATOM 0 HA ILE A 36 -1.646 2.732 8.317 1.00 73.32 H new ATOM 0 HB ILE A 36 -0.804 3.478 10.694 1.00 4.21 H new ATOM 0 HG12 ILE A 36 -3.434 2.398 11.217 1.00 14.35 H new ATOM 0 HG13 ILE A 36 -2.793 1.676 9.754 1.00 14.35 H new ATOM 0 HG21 ILE A 36 -2.562 4.525 12.065 1.00 53.24 H new ATOM 0 HG22 ILE A 36 -2.018 5.603 10.758 1.00 53.24 H new ATOM 0 HG23 ILE A 36 -3.566 4.737 10.611 1.00 53.24 H new ATOM 0 HD11 ILE A 36 -2.199 0.347 11.720 1.00 71.23 H new ATOM 0 HD12 ILE A 36 -0.739 1.023 10.960 1.00 71.23 H new ATOM 0 HD13 ILE A 36 -1.390 1.756 12.445 1.00 71.23 H new ATOM 182 N LYS A 37 -3.177 5.622 8.278 1.00 44.12 N ATOM 183 CA LYS A 37 -4.386 6.317 7.852 1.00 32.01 C ATOM 184 C LYS A 37 -4.739 5.962 6.411 1.00 15.13 C ATOM 185 O LYS A 37 -5.909 5.774 6.077 1.00 22.15 O ATOM 186 CB LYS A 37 -4.203 7.831 7.985 1.00 12.01 C ATOM 187 CG LYS A 37 -4.895 8.422 9.201 1.00 21.11 C ATOM 188 CD LYS A 37 -6.407 8.351 9.072 1.00 73.31 C ATOM 189 CE LYS A 37 -6.965 9.577 8.367 1.00 3.30 C ATOM 190 NZ LYS A 37 -8.031 9.220 7.391 1.00 73.12 N ATOM 0 H LYS A 37 -2.401 6.237 8.521 1.00 44.12 H new ATOM 0 HA LYS A 37 -5.204 5.998 8.497 1.00 32.01 H new ATOM 0 HB2 LYS A 37 -3.138 8.057 8.038 1.00 12.01 H new ATOM 0 HB3 LYS A 37 -4.587 8.315 7.087 1.00 12.01 H new ATOM 0 HG2 LYS A 37 -4.580 7.886 10.096 1.00 21.11 H new ATOM 0 HG3 LYS A 37 -4.588 9.460 9.326 1.00 21.11 H new ATOM 0 HD2 LYS A 37 -6.684 7.454 8.518 1.00 73.31 H new ATOM 0 HD3 LYS A 37 -6.854 8.265 10.062 1.00 73.31 H new ATOM 0 HE2 LYS A 37 -7.367 10.269 9.107 1.00 3.30 H new ATOM 0 HE3 LYS A 37 -6.158 10.097 7.850 1.00 3.30 H new ATOM 0 HZ1 LYS A 37 -8.385 10.084 6.932 1.00 73.12 H new ATOM 0 HZ2 LYS A 37 -7.641 8.580 6.670 1.00 73.12 H new ATOM 0 HZ3 LYS A 37 -8.813 8.747 7.888 1.00 73.12 H new ATOM 204 N SER A 38 -3.721 5.870 5.562 1.00 4.43 N ATOM 205 CA SER A 38 -3.925 5.540 4.157 1.00 24.32 C ATOM 206 C SER A 38 -4.482 4.127 4.007 1.00 52.45 C ATOM 207 O SER A 38 -5.419 3.895 3.242 1.00 64.13 O ATOM 208 CB SER A 38 -2.609 5.665 3.386 1.00 25.11 C ATOM 209 OG SER A 38 -1.740 4.584 3.680 1.00 51.30 O ATOM 0 H SER A 38 -2.746 6.019 5.823 1.00 4.43 H new ATOM 0 HA SER A 38 -4.648 6.244 3.745 1.00 24.32 H new ATOM 0 HB2 SER A 38 -2.812 5.691 2.315 1.00 25.11 H new ATOM 0 HB3 SER A 38 -2.122 6.606 3.641 1.00 25.11 H new ATOM 0 HG SER A 38 -1.535 4.580 4.638 1.00 51.30 H new ATOM 215 N LYS A 39 -3.901 3.187 4.741 1.00 24.43 N ATOM 216 CA LYS A 39 -4.338 1.796 4.693 1.00 43.23 C ATOM 217 C LYS A 39 -5.779 1.663 5.174 1.00 40.10 C ATOM 218 O LYS A 39 -6.535 0.828 4.677 1.00 35.40 O ATOM 219 CB LYS A 39 -3.420 0.921 5.549 1.00 51.22 C ATOM 220 CG LYS A 39 -4.016 0.549 6.895 1.00 74.42 C ATOM 221 CD LYS A 39 -3.005 -0.167 7.774 1.00 31.41 C ATOM 222 CE LYS A 39 -3.670 -0.805 8.985 1.00 73.32 C ATOM 223 NZ LYS A 39 -3.195 -2.198 9.209 1.00 30.23 N ATOM 0 H LYS A 39 -3.124 3.362 5.378 1.00 24.43 H new ATOM 0 HA LYS A 39 -4.286 1.460 3.657 1.00 43.23 H new ATOM 0 HB2 LYS A 39 -3.186 0.009 5.000 1.00 51.22 H new ATOM 0 HB3 LYS A 39 -2.479 1.446 5.711 1.00 51.22 H new ATOM 0 HG2 LYS A 39 -4.366 1.449 7.400 1.00 74.42 H new ATOM 0 HG3 LYS A 39 -4.886 -0.090 6.745 1.00 74.42 H new ATOM 0 HD2 LYS A 39 -2.494 -0.934 7.192 1.00 31.41 H new ATOM 0 HD3 LYS A 39 -2.245 0.540 8.106 1.00 31.41 H new ATOM 0 HE2 LYS A 39 -3.464 -0.204 9.871 1.00 73.32 H new ATOM 0 HE3 LYS A 39 -4.751 -0.808 8.846 1.00 73.32 H new ATOM 0 HZ1 LYS A 39 -3.201 -2.407 10.228 1.00 30.23 H new ATOM 0 HZ2 LYS A 39 -3.824 -2.863 8.716 1.00 30.23 H new ATOM 0 HZ3 LYS A 39 -2.228 -2.298 8.840 1.00 30.23 H new ATOM 237 N VAL A 40 -6.154 2.492 6.144 1.00 60.02 N ATOM 238 CA VAL A 40 -7.505 2.467 6.690 1.00 51.22 C ATOM 239 C VAL A 40 -8.537 2.806 5.620 1.00 2.33 C ATOM 240 O VAL A 40 -9.631 2.244 5.600 1.00 15.04 O ATOM 241 CB VAL A 40 -7.655 3.456 7.863 1.00 71.05 C ATOM 242 CG1 VAL A 40 -9.119 3.624 8.236 1.00 74.32 C ATOM 243 CG2 VAL A 40 -6.841 2.988 9.059 1.00 50.31 C ATOM 0 H VAL A 40 -5.541 3.189 6.567 1.00 60.02 H new ATOM 0 HA VAL A 40 -7.681 1.454 7.053 1.00 51.22 H new ATOM 0 HB VAL A 40 -7.272 4.427 7.549 1.00 71.05 H new ATOM 0 HG11 VAL A 40 -9.205 4.326 9.066 1.00 74.32 H new ATOM 0 HG12 VAL A 40 -9.671 4.007 7.378 1.00 74.32 H new ATOM 0 HG13 VAL A 40 -9.532 2.660 8.532 1.00 74.32 H new ATOM 0 HG21 VAL A 40 -6.958 3.697 9.878 1.00 50.31 H new ATOM 0 HG22 VAL A 40 -7.192 2.006 9.376 1.00 50.31 H new ATOM 0 HG23 VAL A 40 -5.789 2.925 8.781 1.00 50.31 H new ATOM 253 N GLU A 41 -8.179 3.728 4.731 1.00 30.24 N ATOM 254 CA GLU A 41 -9.076 4.141 3.658 1.00 44.23 C ATOM 255 C GLU A 41 -9.421 2.961 2.753 1.00 14.31 C ATOM 256 O GLU A 41 -10.551 2.838 2.283 1.00 74.13 O ATOM 257 CB GLU A 41 -8.437 5.260 2.832 1.00 2.23 C ATOM 258 CG GLU A 41 -7.845 6.377 3.677 1.00 75.14 C ATOM 259 CD GLU A 41 -8.712 6.727 4.870 1.00 4.24 C ATOM 260 OE1 GLU A 41 -9.628 7.561 4.713 1.00 34.25 O ATOM 261 OE2 GLU A 41 -8.474 6.169 5.962 1.00 62.30 O ATOM 0 H GLU A 41 -7.276 4.202 4.733 1.00 30.24 H new ATOM 0 HA GLU A 41 -9.996 4.512 4.110 1.00 44.23 H new ATOM 0 HB2 GLU A 41 -7.653 4.835 2.205 1.00 2.23 H new ATOM 0 HB3 GLU A 41 -9.188 5.681 2.163 1.00 2.23 H new ATOM 0 HG2 GLU A 41 -6.856 6.079 4.026 1.00 75.14 H new ATOM 0 HG3 GLU A 41 -7.710 7.264 3.058 1.00 75.14 H new ATOM 268 N ALA A 42 -8.439 2.098 2.515 1.00 54.33 N ATOM 269 CA ALA A 42 -8.638 0.929 1.669 1.00 74.13 C ATOM 270 C ALA A 42 -9.440 -0.145 2.397 1.00 41.01 C ATOM 271 O ALA A 42 -10.054 -1.007 1.769 1.00 61.20 O ATOM 272 CB ALA A 42 -7.298 0.372 1.212 1.00 74.13 C ATOM 0 H ALA A 42 -7.497 2.187 2.897 1.00 54.33 H new ATOM 0 HA ALA A 42 -9.207 1.239 0.792 1.00 74.13 H new ATOM 0 HB1 ALA A 42 -7.463 -0.501 0.581 1.00 74.13 H new ATOM 0 HB2 ALA A 42 -6.762 1.133 0.645 1.00 74.13 H new ATOM 0 HB3 ALA A 42 -6.708 0.084 2.082 1.00 74.13 H new ATOM 278 N ALA A 43 -9.427 -0.087 3.725 1.00 75.55 N ATOM 279 CA ALA A 43 -10.153 -1.055 4.539 1.00 50.45 C ATOM 280 C ALA A 43 -11.649 -1.005 4.245 1.00 31.24 C ATOM 281 O ALA A 43 -12.368 -1.982 4.465 1.00 43.41 O ATOM 282 CB ALA A 43 -9.894 -0.802 6.016 1.00 13.21 C ATOM 0 H ALA A 43 -8.922 0.620 4.260 1.00 75.55 H new ATOM 0 HA ALA A 43 -9.792 -2.052 4.285 1.00 50.45 H new ATOM 0 HB1 ALA A 43 -10.442 -1.532 6.612 1.00 13.21 H new ATOM 0 HB2 ALA A 43 -8.827 -0.895 6.220 1.00 13.21 H new ATOM 0 HB3 ALA A 43 -10.227 0.203 6.277 1.00 13.21 H new ATOM 288 N LEU A 44 -12.113 0.136 3.749 1.00 4.05 N ATOM 289 CA LEU A 44 -13.525 0.313 3.427 1.00 45.11 C ATOM 290 C LEU A 44 -13.971 -0.690 2.370 1.00 72.54 C ATOM 291 O LEU A 44 -15.076 -1.229 2.439 1.00 64.33 O ATOM 292 CB LEU A 44 -13.780 1.738 2.933 1.00 13.35 C ATOM 293 CG LEU A 44 -13.965 2.801 4.018 1.00 70.00 C ATOM 294 CD1 LEU A 44 -15.151 2.456 4.907 1.00 42.14 C ATOM 295 CD2 LEU A 44 -12.698 2.942 4.848 1.00 44.54 C ATOM 0 H LEU A 44 -11.532 0.953 3.561 1.00 4.05 H new ATOM 0 HA LEU A 44 -14.104 0.140 4.334 1.00 45.11 H new ATOM 0 HB2 LEU A 44 -12.945 2.036 2.299 1.00 13.35 H new ATOM 0 HB3 LEU A 44 -14.671 1.730 2.305 1.00 13.35 H new ATOM 0 HG LEU A 44 -14.166 3.756 3.533 1.00 70.00 H new ATOM 0 HD11 LEU A 44 -15.267 3.223 5.673 1.00 42.14 H new ATOM 0 HD12 LEU A 44 -16.057 2.407 4.302 1.00 42.14 H new ATOM 0 HD13 LEU A 44 -14.980 1.491 5.384 1.00 42.14 H new ATOM 0 HD21 LEU A 44 -12.848 3.702 5.615 1.00 44.54 H new ATOM 0 HD22 LEU A 44 -12.466 1.989 5.323 1.00 44.54 H new ATOM 0 HD23 LEU A 44 -11.871 3.236 4.202 1.00 44.54 H new ATOM 307 N SER A 45 -13.105 -0.939 1.393 1.00 63.03 N ATOM 308 CA SER A 45 -13.410 -1.877 0.319 1.00 33.42 C ATOM 309 C SER A 45 -12.952 -3.286 0.683 1.00 22.50 C ATOM 310 O SER A 45 -12.120 -3.487 1.568 1.00 32.12 O ATOM 311 CB SER A 45 -12.743 -1.431 -0.982 1.00 61.21 C ATOM 312 OG SER A 45 -13.710 -1.147 -1.979 1.00 42.32 O ATOM 0 H SER A 45 -12.185 -0.504 1.323 1.00 63.03 H new ATOM 0 HA SER A 45 -14.491 -1.890 0.177 1.00 33.42 H new ATOM 0 HB2 SER A 45 -12.135 -0.545 -0.798 1.00 61.21 H new ATOM 0 HB3 SER A 45 -12.070 -2.212 -1.336 1.00 61.21 H new ATOM 0 HG SER A 45 -13.259 -0.862 -2.801 1.00 42.32 H new ATOM 318 N PRO A 46 -13.506 -4.287 -0.017 1.00 70.23 N ATOM 319 CA PRO A 46 -13.169 -5.695 0.213 1.00 74.44 C ATOM 320 C PRO A 46 -11.752 -6.034 -0.239 1.00 1.31 C ATOM 321 O PRO A 46 -11.498 -6.230 -1.428 1.00 42.24 O ATOM 322 CB PRO A 46 -14.195 -6.449 -0.638 1.00 75.21 C ATOM 323 CG PRO A 46 -14.577 -5.488 -1.711 1.00 13.05 C ATOM 324 CD PRO A 46 -14.504 -4.121 -1.088 1.00 32.13 C ATOM 0 HA PRO A 46 -13.199 -5.953 1.272 1.00 74.44 H new ATOM 0 HB2 PRO A 46 -13.769 -7.361 -1.057 1.00 75.21 H new ATOM 0 HB3 PRO A 46 -15.060 -6.745 -0.045 1.00 75.21 H new ATOM 0 HG2 PRO A 46 -13.901 -5.565 -2.563 1.00 13.05 H new ATOM 0 HG3 PRO A 46 -15.581 -5.695 -2.081 1.00 13.05 H new ATOM 0 HD2 PRO A 46 -14.196 -3.366 -1.811 1.00 32.13 H new ATOM 0 HD3 PRO A 46 -15.470 -3.808 -0.692 1.00 32.13 H new ATOM 332 N THR A 47 -10.832 -6.100 0.718 1.00 64.23 N ATOM 333 CA THR A 47 -9.440 -6.415 0.418 1.00 53.32 C ATOM 334 C THR A 47 -8.614 -6.525 1.695 1.00 53.42 C ATOM 335 O THR A 47 -9.159 -6.545 2.799 1.00 31.40 O ATOM 336 CB THR A 47 -8.808 -5.349 -0.498 1.00 32.15 C ATOM 337 OG1 THR A 47 -7.546 -5.813 -0.990 1.00 41.15 O ATOM 338 CG2 THR A 47 -8.615 -4.039 0.250 1.00 52.41 C ATOM 0 H THR A 47 -11.025 -5.940 1.707 1.00 64.23 H new ATOM 0 HA THR A 47 -9.437 -7.375 -0.098 1.00 53.32 H new ATOM 0 HB THR A 47 -9.483 -5.175 -1.336 1.00 32.15 H new ATOM 0 HG1 THR A 47 -7.465 -6.776 -0.826 1.00 41.15 H new ATOM 0 HG21 THR A 47 -8.168 -3.302 -0.417 1.00 52.41 H new ATOM 0 HG22 THR A 47 -9.581 -3.674 0.599 1.00 52.41 H new ATOM 0 HG23 THR A 47 -7.958 -4.201 1.105 1.00 52.41 H new ATOM 346 N HIS A 48 -7.296 -6.596 1.537 1.00 55.40 N ATOM 347 CA HIS A 48 -6.395 -6.702 2.679 1.00 12.13 C ATOM 348 C HIS A 48 -5.311 -5.630 2.618 1.00 44.14 C ATOM 349 O HIS A 48 -4.861 -5.249 1.538 1.00 42.23 O ATOM 350 CB HIS A 48 -5.754 -8.089 2.722 1.00 63.43 C ATOM 351 CG HIS A 48 -4.777 -8.265 3.843 1.00 43.41 C ATOM 352 ND1 HIS A 48 -3.411 -8.286 3.655 1.00 42.33 N ATOM 353 CD2 HIS A 48 -4.974 -8.424 5.172 1.00 0.15 C ATOM 354 CE1 HIS A 48 -2.810 -8.453 4.819 1.00 73.30 C ATOM 355 NE2 HIS A 48 -3.736 -8.539 5.757 1.00 75.34 N ATOM 0 H HIS A 48 -6.829 -6.582 0.630 1.00 55.40 H new ATOM 0 HA HIS A 48 -6.980 -6.551 3.587 1.00 12.13 H new ATOM 0 HB2 HIS A 48 -6.539 -8.840 2.814 1.00 63.43 H new ATOM 0 HB3 HIS A 48 -5.245 -8.274 1.776 1.00 63.43 H new ATOM 0 HD2 HIS A 48 -5.927 -8.455 5.679 1.00 0.15 H new ATOM 0 HE1 HIS A 48 -1.743 -8.510 4.977 1.00 73.30 H new ATOM 0 HE2 HIS A 48 -3.561 -8.670 6.753 1.00 75.34 H new ATOM 363 N PHE A 49 -4.897 -5.147 3.785 1.00 63.13 N ATOM 364 CA PHE A 49 -3.867 -4.117 3.864 1.00 72.05 C ATOM 365 C PHE A 49 -2.811 -4.483 4.902 1.00 42.04 C ATOM 366 O PHE A 49 -3.134 -4.894 6.017 1.00 51.14 O ATOM 367 CB PHE A 49 -4.494 -2.765 4.212 1.00 25.43 C ATOM 368 CG PHE A 49 -5.505 -2.841 5.318 1.00 35.25 C ATOM 369 CD1 PHE A 49 -6.840 -3.089 5.040 1.00 20.10 C ATOM 370 CD2 PHE A 49 -5.123 -2.663 6.638 1.00 23.33 C ATOM 371 CE1 PHE A 49 -7.774 -3.159 6.057 1.00 61.30 C ATOM 372 CE2 PHE A 49 -6.052 -2.733 7.659 1.00 73.32 C ATOM 373 CZ PHE A 49 -7.380 -2.980 7.368 1.00 64.34 C ATOM 0 H PHE A 49 -5.259 -5.452 4.689 1.00 63.13 H new ATOM 0 HA PHE A 49 -3.384 -4.046 2.890 1.00 72.05 H new ATOM 0 HB2 PHE A 49 -3.705 -2.071 4.499 1.00 25.43 H new ATOM 0 HB3 PHE A 49 -4.971 -2.355 3.322 1.00 25.43 H new ATOM 0 HD1 PHE A 49 -7.155 -3.229 4.016 1.00 20.10 H new ATOM 0 HD2 PHE A 49 -4.087 -2.467 6.872 1.00 23.33 H new ATOM 0 HE1 PHE A 49 -8.811 -3.354 5.826 1.00 61.30 H new ATOM 0 HE2 PHE A 49 -5.740 -2.595 8.684 1.00 73.32 H new ATOM 0 HZ PHE A 49 -8.108 -3.033 8.164 1.00 64.34 H new ATOM 383 N LYS A 50 -1.545 -4.332 4.528 1.00 4.22 N ATOM 384 CA LYS A 50 -0.439 -4.645 5.425 1.00 60.25 C ATOM 385 C LYS A 50 0.534 -3.473 5.518 1.00 22.41 C ATOM 386 O LYS A 50 1.202 -3.129 4.541 1.00 14.13 O ATOM 387 CB LYS A 50 0.297 -5.897 4.941 1.00 4.53 C ATOM 388 CG LYS A 50 1.384 -6.368 5.893 1.00 1.10 C ATOM 389 CD LYS A 50 2.616 -6.844 5.141 1.00 11.03 C ATOM 390 CE LYS A 50 3.460 -7.781 5.991 1.00 10.53 C ATOM 391 NZ LYS A 50 2.866 -9.143 6.073 1.00 74.55 N ATOM 0 H LYS A 50 -1.259 -3.994 3.609 1.00 4.22 H new ATOM 0 HA LYS A 50 -0.849 -4.833 6.417 1.00 60.25 H new ATOM 0 HB2 LYS A 50 -0.425 -6.701 4.800 1.00 4.53 H new ATOM 0 HB3 LYS A 50 0.742 -5.694 3.967 1.00 4.53 H new ATOM 0 HG2 LYS A 50 1.658 -5.554 6.565 1.00 1.10 H new ATOM 0 HG3 LYS A 50 1.000 -7.178 6.513 1.00 1.10 H new ATOM 0 HD2 LYS A 50 2.311 -7.355 4.228 1.00 11.03 H new ATOM 0 HD3 LYS A 50 3.215 -5.984 4.841 1.00 11.03 H new ATOM 0 HE2 LYS A 50 4.464 -7.847 5.571 1.00 10.53 H new ATOM 0 HE3 LYS A 50 3.561 -7.368 6.995 1.00 10.53 H new ATOM 0 HZ1 LYS A 50 3.534 -9.785 6.545 1.00 74.55 H new ATOM 0 HZ2 LYS A 50 1.981 -9.103 6.618 1.00 74.55 H new ATOM 0 HZ3 LYS A 50 2.667 -9.493 5.114 1.00 74.55 H new ATOM 405 N LEU A 51 0.611 -2.867 6.697 1.00 43.31 N ATOM 406 CA LEU A 51 1.504 -1.735 6.918 1.00 3.44 C ATOM 407 C LEU A 51 2.392 -1.972 8.136 1.00 3.22 C ATOM 408 O LEU A 51 1.898 -2.162 9.248 1.00 23.02 O ATOM 409 CB LEU A 51 0.695 -0.451 7.105 1.00 43.34 C ATOM 410 CG LEU A 51 1.504 0.844 7.205 1.00 73.52 C ATOM 411 CD1 LEU A 51 0.827 1.959 6.424 1.00 72.11 C ATOM 412 CD2 LEU A 51 1.688 1.246 8.661 1.00 60.10 C ATOM 0 H LEU A 51 0.066 -3.140 7.515 1.00 43.31 H new ATOM 0 HA LEU A 51 2.142 -1.630 6.041 1.00 3.44 H new ATOM 0 HB2 LEU A 51 0.000 -0.358 6.270 1.00 43.34 H new ATOM 0 HB3 LEU A 51 0.095 -0.552 8.009 1.00 43.34 H new ATOM 0 HG LEU A 51 2.488 0.670 6.769 1.00 73.52 H new ATOM 0 HD11 LEU A 51 1.417 2.872 6.507 1.00 72.11 H new ATOM 0 HD12 LEU A 51 0.748 1.672 5.375 1.00 72.11 H new ATOM 0 HD13 LEU A 51 -0.170 2.133 6.829 1.00 72.11 H new ATOM 0 HD21 LEU A 51 2.265 2.169 8.713 1.00 60.10 H new ATOM 0 HD22 LEU A 51 0.712 1.402 9.122 1.00 60.10 H new ATOM 0 HD23 LEU A 51 2.218 0.456 9.192 1.00 60.10 H new ATOM 424 N ILE A 52 3.703 -1.956 7.918 1.00 42.12 N ATOM 425 CA ILE A 52 4.658 -2.165 8.999 1.00 62.43 C ATOM 426 C ILE A 52 5.668 -1.025 9.069 1.00 52.40 C ATOM 427 O ILE A 52 6.480 -0.844 8.163 1.00 13.12 O ATOM 428 CB ILE A 52 5.416 -3.496 8.830 1.00 11.52 C ATOM 429 CG1 ILE A 52 6.016 -3.592 7.425 1.00 2.34 C ATOM 430 CG2 ILE A 52 4.488 -4.672 9.097 1.00 11.21 C ATOM 431 CD1 ILE A 52 7.509 -3.829 7.421 1.00 25.51 C ATOM 0 H ILE A 52 4.127 -1.801 7.004 1.00 42.12 H new ATOM 0 HA ILE A 52 4.084 -2.196 9.925 1.00 62.43 H new ATOM 0 HB ILE A 52 6.229 -3.528 9.555 1.00 11.52 H new ATOM 0 HG12 ILE A 52 5.526 -4.402 6.884 1.00 2.34 H new ATOM 0 HG13 ILE A 52 5.801 -2.671 6.883 1.00 2.34 H new ATOM 0 HG21 ILE A 52 5.038 -5.605 8.974 1.00 11.21 H new ATOM 0 HG22 ILE A 52 4.104 -4.609 10.115 1.00 11.21 H new ATOM 0 HG23 ILE A 52 3.656 -4.646 8.394 1.00 11.21 H new ATOM 0 HD11 ILE A 52 7.866 -3.886 6.393 1.00 25.51 H new ATOM 0 HD12 ILE A 52 8.009 -3.007 7.933 1.00 25.51 H new ATOM 0 HD13 ILE A 52 7.730 -4.765 7.934 1.00 25.51 H new ATOM 443 N ASN A 53 5.610 -0.257 10.153 1.00 65.34 N ATOM 444 CA ASN A 53 6.520 0.867 10.342 1.00 32.33 C ATOM 445 C ASN A 53 7.442 0.626 11.534 1.00 31.53 C ATOM 446 O ASN A 53 6.980 0.407 12.655 1.00 44.54 O ATOM 447 CB ASN A 53 5.730 2.161 10.549 1.00 51.05 C ATOM 448 CG ASN A 53 6.524 3.210 11.302 1.00 72.40 C ATOM 449 OD1 ASN A 53 6.137 3.634 12.391 1.00 50.31 O ATOM 450 ND2 ASN A 53 7.643 3.632 10.725 1.00 3.22 N ATOM 0 H ASN A 53 4.943 -0.393 10.913 1.00 65.34 H new ATOM 0 HA ASN A 53 7.131 0.962 9.445 1.00 32.33 H new ATOM 0 HB2 ASN A 53 5.433 2.561 9.579 1.00 51.05 H new ATOM 0 HB3 ASN A 53 4.814 1.940 11.097 1.00 51.05 H new ATOM 0 HD21 ASN A 53 8.220 4.336 11.186 1.00 3.22 H new ATOM 0 HD22 ASN A 53 7.925 3.253 9.821 1.00 3.22 H new ATOM 457 N ASP A 54 8.746 0.666 11.284 1.00 12.52 N ATOM 458 CA ASP A 54 9.733 0.454 12.336 1.00 52.10 C ATOM 459 C ASP A 54 10.117 1.775 12.996 1.00 71.11 C ATOM 460 O ASP A 54 9.846 1.993 14.176 1.00 34.43 O ATOM 461 CB ASP A 54 10.978 -0.228 11.766 1.00 11.41 C ATOM 462 CG ASP A 54 11.459 -1.374 12.635 1.00 52.04 C ATOM 463 OD1 ASP A 54 10.606 -2.121 13.156 1.00 75.32 O ATOM 464 OD2 ASP A 54 12.689 -1.523 12.793 1.00 22.13 O ATOM 0 H ASP A 54 9.144 0.843 10.362 1.00 12.52 H new ATOM 0 HA ASP A 54 9.289 -0.193 13.093 1.00 52.10 H new ATOM 0 HB2 ASP A 54 10.758 -0.602 10.766 1.00 11.41 H new ATOM 0 HB3 ASP A 54 11.777 0.507 11.664 1.00 11.41 H new ATOM 469 N SER A 55 10.751 2.652 12.225 1.00 3.30 N ATOM 470 CA SER A 55 11.178 3.950 12.735 1.00 11.43 C ATOM 471 C SER A 55 12.254 3.786 13.804 1.00 5.22 C ATOM 472 O SER A 55 11.995 3.264 14.889 1.00 61.35 O ATOM 473 CB SER A 55 9.984 4.713 13.312 1.00 54.24 C ATOM 474 OG SER A 55 10.042 6.087 12.968 1.00 23.22 O ATOM 0 H SER A 55 10.981 2.488 11.245 1.00 3.30 H new ATOM 0 HA SER A 55 11.597 4.519 11.905 1.00 11.43 H new ATOM 0 HB2 SER A 55 9.056 4.280 12.938 1.00 54.24 H new ATOM 0 HB3 SER A 55 9.970 4.607 14.397 1.00 54.24 H new ATOM 0 HG SER A 55 9.516 6.243 12.156 1.00 23.22 H new ATOM 734 N THR A 75 15.279 0.567 4.144 1.00 14.44 N ATOM 735 CA THR A 75 13.837 0.749 4.259 1.00 44.24 C ATOM 736 C THR A 75 13.289 0.045 5.494 1.00 4.14 C ATOM 737 O THR A 75 13.632 -1.106 5.768 1.00 33.22 O ATOM 738 CB THR A 75 13.104 0.218 3.012 1.00 71.20 C ATOM 739 OG1 THR A 75 12.771 -1.163 3.190 1.00 12.45 O ATOM 740 CG2 THR A 75 13.964 0.381 1.768 1.00 25.41 C ATOM 0 HA THR A 75 13.660 1.821 4.348 1.00 44.24 H new ATOM 0 HB THR A 75 12.190 0.798 2.881 1.00 71.20 H new ATOM 0 HG1 THR A 75 13.454 -1.595 3.744 1.00 12.45 H new ATOM 0 HG21 THR A 75 13.425 -0.001 0.901 1.00 25.41 H new ATOM 0 HG22 THR A 75 14.191 1.437 1.618 1.00 25.41 H new ATOM 0 HG23 THR A 75 14.893 -0.176 1.892 1.00 25.41 H new ATOM 748 N HIS A 76 12.438 0.743 6.238 1.00 31.23 N ATOM 749 CA HIS A 76 11.841 0.182 7.446 1.00 13.33 C ATOM 750 C HIS A 76 10.319 0.170 7.344 1.00 32.24 C ATOM 751 O HIS A 76 9.640 -0.498 8.125 1.00 42.32 O ATOM 752 CB HIS A 76 12.275 0.984 8.674 1.00 60.03 C ATOM 753 CG HIS A 76 11.550 2.286 8.827 1.00 71.32 C ATOM 754 ND1 HIS A 76 12.195 3.499 8.937 1.00 1.32 N ATOM 755 CD2 HIS A 76 10.225 2.559 8.885 1.00 23.14 C ATOM 756 CE1 HIS A 76 11.299 4.462 9.059 1.00 53.30 C ATOM 757 NE2 HIS A 76 10.096 3.918 9.030 1.00 51.03 N ATOM 0 H HIS A 76 12.146 1.697 6.027 1.00 31.23 H new ATOM 0 HA HIS A 76 12.189 -0.846 7.551 1.00 13.33 H new ATOM 0 HB2 HIS A 76 12.113 0.381 9.567 1.00 60.03 H new ATOM 0 HB3 HIS A 76 13.346 1.179 8.610 1.00 60.03 H new ATOM 0 HD2 HIS A 76 9.420 1.841 8.828 1.00 23.14 H new ATOM 0 HE1 HIS A 76 11.514 5.515 9.165 1.00 53.30 H new ATOM 0 HE2 HIS A 76 9.214 4.425 9.103 1.00 51.03 H new ATOM 765 N PHE A 77 9.789 0.912 6.378 1.00 71.13 N ATOM 766 CA PHE A 77 8.346 0.987 6.176 1.00 43.32 C ATOM 767 C PHE A 77 7.942 0.291 4.879 1.00 51.00 C ATOM 768 O PHE A 77 8.638 0.385 3.869 1.00 63.40 O ATOM 769 CB PHE A 77 7.890 2.448 6.147 1.00 70.51 C ATOM 770 CG PHE A 77 6.476 2.624 5.674 1.00 75.03 C ATOM 771 CD1 PHE A 77 6.198 2.803 4.328 1.00 64.53 C ATOM 772 CD2 PHE A 77 5.423 2.610 6.574 1.00 40.24 C ATOM 773 CE1 PHE A 77 4.898 2.966 3.889 1.00 31.55 C ATOM 774 CE2 PHE A 77 4.120 2.773 6.141 1.00 54.21 C ATOM 775 CZ PHE A 77 3.857 2.949 4.797 1.00 45.22 C ATOM 0 H PHE A 77 10.336 1.470 5.723 1.00 71.13 H new ATOM 0 HA PHE A 77 7.860 0.478 7.008 1.00 43.32 H new ATOM 0 HB2 PHE A 77 7.985 2.870 7.147 1.00 70.51 H new ATOM 0 HB3 PHE A 77 8.556 3.015 5.497 1.00 70.51 H new ATOM 0 HD1 PHE A 77 7.008 2.815 3.613 1.00 64.53 H new ATOM 0 HD2 PHE A 77 5.622 2.470 7.626 1.00 40.24 H new ATOM 0 HE1 PHE A 77 4.696 3.107 2.837 1.00 31.55 H new ATOM 0 HE2 PHE A 77 3.309 2.763 6.854 1.00 54.21 H new ATOM 0 HZ PHE A 77 2.840 3.073 4.456 1.00 45.22 H new ATOM 785 N ARG A 78 6.812 -0.408 4.918 1.00 64.44 N ATOM 786 CA ARG A 78 6.316 -1.122 3.749 1.00 74.15 C ATOM 787 C ARG A 78 4.791 -1.113 3.713 1.00 70.12 C ATOM 788 O ARG A 78 4.133 -1.369 4.723 1.00 63.14 O ATOM 789 CB ARG A 78 6.828 -2.564 3.749 1.00 62.21 C ATOM 790 CG ARG A 78 5.752 -3.593 4.058 1.00 12.52 C ATOM 791 CD ARG A 78 6.341 -4.985 4.220 1.00 4.34 C ATOM 792 NE ARG A 78 7.031 -5.431 3.013 1.00 44.43 N ATOM 793 CZ ARG A 78 7.429 -6.682 2.813 1.00 30.32 C ATOM 794 NH1 ARG A 78 7.206 -7.607 3.738 1.00 64.35 N ATOM 795 NH2 ARG A 78 8.050 -7.011 1.688 1.00 2.11 N ATOM 0 H ARG A 78 6.223 -0.495 5.747 1.00 64.44 H new ATOM 0 HA ARG A 78 6.687 -0.612 2.860 1.00 74.15 H new ATOM 0 HB2 ARG A 78 7.262 -2.786 2.774 1.00 62.21 H new ATOM 0 HB3 ARG A 78 7.629 -2.656 4.483 1.00 62.21 H new ATOM 0 HG2 ARG A 78 5.228 -3.310 4.971 1.00 12.52 H new ATOM 0 HG3 ARG A 78 5.014 -3.600 3.256 1.00 12.52 H new ATOM 0 HD2 ARG A 78 7.038 -4.988 5.058 1.00 4.34 H new ATOM 0 HD3 ARG A 78 5.545 -5.689 4.464 1.00 4.34 H new ATOM 0 HE ARG A 78 7.218 -4.744 2.283 1.00 44.43 H new ATOM 0 HH11 ARG A 78 6.728 -7.357 4.604 1.00 64.35 H new ATOM 0 HH12 ARG A 78 7.512 -8.568 3.583 1.00 64.35 H new ATOM 0 HH21 ARG A 78 8.223 -6.303 0.975 1.00 2.11 H new ATOM 0 HH22 ARG A 78 8.355 -7.972 1.536 1.00 2.11 H new ATOM 809 N LEU A 79 4.233 -0.816 2.544 1.00 42.40 N ATOM 810 CA LEU A 79 2.785 -0.772 2.377 1.00 42.43 C ATOM 811 C LEU A 79 2.340 -1.684 1.237 1.00 23.24 C ATOM 812 O LEU A 79 2.715 -1.479 0.083 1.00 1.15 O ATOM 813 CB LEU A 79 2.326 0.662 2.105 1.00 41.31 C ATOM 814 CG LEU A 79 1.058 1.110 2.832 1.00 54.23 C ATOM 815 CD1 LEU A 79 0.594 2.463 2.314 1.00 65.45 C ATOM 816 CD2 LEU A 79 -0.044 0.072 2.672 1.00 62.43 C ATOM 0 H LEU A 79 4.762 -0.602 1.698 1.00 42.40 H new ATOM 0 HA LEU A 79 2.327 -1.125 3.301 1.00 42.43 H new ATOM 0 HB2 LEU A 79 3.135 1.339 2.378 1.00 41.31 H new ATOM 0 HB3 LEU A 79 2.165 0.773 1.033 1.00 41.31 H new ATOM 0 HG LEU A 79 1.288 1.208 3.893 1.00 54.23 H new ATOM 0 HD11 LEU A 79 -0.310 2.765 2.844 1.00 65.45 H new ATOM 0 HD12 LEU A 79 1.376 3.204 2.480 1.00 65.45 H new ATOM 0 HD13 LEU A 79 0.382 2.391 1.247 1.00 65.45 H new ATOM 0 HD21 LEU A 79 -0.939 0.408 3.196 1.00 62.43 H new ATOM 0 HD22 LEU A 79 -0.270 -0.058 1.614 1.00 62.43 H new ATOM 0 HD23 LEU A 79 0.287 -0.878 3.092 1.00 62.43 H new ATOM 828 N GLU A 80 1.539 -2.691 1.571 1.00 31.10 N ATOM 829 CA GLU A 80 1.043 -3.634 0.575 1.00 15.55 C ATOM 830 C GLU A 80 -0.432 -3.946 0.809 1.00 61.34 C ATOM 831 O GLU A 80 -0.933 -3.829 1.928 1.00 74.53 O ATOM 832 CB GLU A 80 1.861 -4.926 0.611 1.00 0.44 C ATOM 833 CG GLU A 80 3.347 -4.699 0.832 1.00 43.43 C ATOM 834 CD GLU A 80 4.149 -5.985 0.777 1.00 51.12 C ATOM 835 OE1 GLU A 80 3.531 -7.062 0.640 1.00 63.21 O ATOM 836 OE2 GLU A 80 5.391 -5.915 0.870 1.00 43.10 O ATOM 0 H GLU A 80 1.220 -2.875 2.522 1.00 31.10 H new ATOM 0 HA GLU A 80 1.148 -3.174 -0.408 1.00 15.55 H new ATOM 0 HB2 GLU A 80 1.478 -5.567 1.405 1.00 0.44 H new ATOM 0 HB3 GLU A 80 1.719 -5.462 -0.327 1.00 0.44 H new ATOM 0 HG2 GLU A 80 3.722 -4.009 0.076 1.00 43.43 H new ATOM 0 HG3 GLU A 80 3.498 -4.223 1.801 1.00 43.43 H new ATOM 843 N VAL A 81 -1.123 -4.343 -0.255 1.00 3.13 N ATOM 844 CA VAL A 81 -2.540 -4.673 -0.167 1.00 50.44 C ATOM 845 C VAL A 81 -2.883 -5.867 -1.051 1.00 50.32 C ATOM 846 O VAL A 81 -2.376 -5.993 -2.167 1.00 74.42 O ATOM 847 CB VAL A 81 -3.421 -3.476 -0.575 1.00 34.42 C ATOM 848 CG1 VAL A 81 -2.800 -2.170 -0.104 1.00 71.31 C ATOM 849 CG2 VAL A 81 -3.637 -3.462 -2.080 1.00 32.21 C ATOM 0 H VAL A 81 -0.724 -4.444 -1.188 1.00 3.13 H new ATOM 0 HA VAL A 81 -2.742 -4.926 0.874 1.00 50.44 H new ATOM 0 HB VAL A 81 -4.393 -3.582 -0.093 1.00 34.42 H new ATOM 0 HG11 VAL A 81 -3.436 -1.336 -0.401 1.00 71.31 H new ATOM 0 HG12 VAL A 81 -2.704 -2.184 0.982 1.00 71.31 H new ATOM 0 HG13 VAL A 81 -1.814 -2.053 -0.554 1.00 71.31 H new ATOM 0 HG21 VAL A 81 -4.261 -2.610 -2.350 1.00 32.21 H new ATOM 0 HG22 VAL A 81 -2.674 -3.381 -2.585 1.00 32.21 H new ATOM 0 HG23 VAL A 81 -4.130 -4.385 -2.385 1.00 32.21 H new ATOM 859 N THR A 82 -3.747 -6.742 -0.546 1.00 4.40 N ATOM 860 CA THR A 82 -4.157 -7.926 -1.290 1.00 21.43 C ATOM 861 C THR A 82 -5.666 -7.944 -1.507 1.00 20.44 C ATOM 862 O THR A 82 -6.438 -8.090 -0.559 1.00 4.23 O ATOM 863 CB THR A 82 -3.739 -9.218 -0.562 1.00 74.13 C ATOM 864 OG1 THR A 82 -2.346 -9.170 -0.237 1.00 43.22 O ATOM 865 CG2 THR A 82 -4.022 -10.440 -1.423 1.00 51.14 C ATOM 0 H THR A 82 -4.176 -6.653 0.375 1.00 4.40 H new ATOM 0 HA THR A 82 -3.655 -7.883 -2.256 1.00 21.43 H new ATOM 0 HB THR A 82 -4.322 -9.296 0.355 1.00 74.13 H new ATOM 0 HG1 THR A 82 -2.090 -9.994 0.227 1.00 43.22 H new ATOM 0 HG21 THR A 82 -3.719 -11.340 -0.888 1.00 51.14 H new ATOM 0 HG22 THR A 82 -5.088 -10.491 -1.643 1.00 51.14 H new ATOM 0 HG23 THR A 82 -3.462 -10.366 -2.355 1.00 51.14 H new ATOM 873 N SER A 83 -6.080 -7.794 -2.761 1.00 64.50 N ATOM 874 CA SER A 83 -7.498 -7.791 -3.102 1.00 44.23 C ATOM 875 C SER A 83 -7.841 -8.966 -4.012 1.00 50.53 C ATOM 876 O SER A 83 -7.535 -8.951 -5.205 1.00 61.42 O ATOM 877 CB SER A 83 -7.875 -6.475 -3.785 1.00 51.25 C ATOM 878 OG SER A 83 -6.814 -5.539 -3.711 1.00 53.13 O ATOM 0 H SER A 83 -5.454 -7.673 -3.557 1.00 64.50 H new ATOM 0 HA SER A 83 -8.069 -7.891 -2.179 1.00 44.23 H new ATOM 0 HB2 SER A 83 -8.126 -6.663 -4.829 1.00 51.25 H new ATOM 0 HB3 SER A 83 -8.765 -6.059 -3.313 1.00 51.25 H new ATOM 0 HG SER A 83 -6.657 -5.296 -2.775 1.00 53.13 H new ATOM 884 N ASP A 84 -8.479 -9.981 -3.441 1.00 63.22 N ATOM 885 CA ASP A 84 -8.865 -11.165 -4.200 1.00 41.01 C ATOM 886 C ASP A 84 -7.636 -11.958 -4.634 1.00 52.12 C ATOM 887 O ASP A 84 -7.742 -12.920 -5.394 1.00 53.23 O ATOM 888 CB ASP A 84 -9.689 -10.765 -5.425 1.00 33.32 C ATOM 889 CG ASP A 84 -11.127 -11.237 -5.335 1.00 3.23 C ATOM 890 OD1 ASP A 84 -11.917 -10.596 -4.609 1.00 64.35 O ATOM 891 OD2 ASP A 84 -11.463 -12.247 -5.989 1.00 12.02 O ATOM 0 H ASP A 84 -8.740 -10.008 -2.455 1.00 63.22 H new ATOM 0 HA ASP A 84 -9.473 -11.798 -3.554 1.00 41.01 H new ATOM 0 HB2 ASP A 84 -9.672 -9.680 -5.532 1.00 33.32 H new ATOM 0 HB3 ASP A 84 -9.228 -11.181 -6.321 1.00 33.32 H new ATOM 896 N ALA A 85 -6.470 -11.546 -4.147 1.00 54.24 N ATOM 897 CA ALA A 85 -5.221 -12.217 -4.484 1.00 74.53 C ATOM 898 C ALA A 85 -5.138 -12.503 -5.980 1.00 62.30 C ATOM 899 O ALA A 85 -5.429 -13.613 -6.427 1.00 24.50 O ATOM 900 CB ALA A 85 -5.085 -13.508 -3.690 1.00 60.43 C ATOM 0 H ALA A 85 -6.365 -10.750 -3.518 1.00 54.24 H new ATOM 0 HA ALA A 85 -4.398 -11.553 -4.221 1.00 74.53 H new ATOM 0 HB1 ALA A 85 -4.148 -13.999 -3.952 1.00 60.43 H new ATOM 0 HB2 ALA A 85 -5.091 -13.282 -2.624 1.00 60.43 H new ATOM 0 HB3 ALA A 85 -5.919 -14.169 -3.925 1.00 60.43 H new ATOM 906 N PHE A 86 -4.740 -11.494 -6.749 1.00 33.52 N ATOM 907 CA PHE A 86 -4.621 -11.637 -8.196 1.00 31.25 C ATOM 908 C PHE A 86 -4.183 -10.324 -8.837 1.00 63.51 C ATOM 909 O PHE A 86 -5.012 -9.505 -9.231 1.00 10.55 O ATOM 910 CB PHE A 86 -5.952 -12.092 -8.797 1.00 13.13 C ATOM 911 CG PHE A 86 -5.928 -13.503 -9.310 1.00 70.02 C ATOM 912 CD1 PHE A 86 -4.962 -13.907 -10.218 1.00 63.33 C ATOM 913 CD2 PHE A 86 -6.870 -14.426 -8.886 1.00 23.45 C ATOM 914 CE1 PHE A 86 -4.937 -15.204 -10.693 1.00 22.31 C ATOM 915 CE2 PHE A 86 -6.850 -15.725 -9.357 1.00 0.01 C ATOM 916 CZ PHE A 86 -5.882 -16.115 -10.261 1.00 1.32 C ATOM 0 H PHE A 86 -4.495 -10.569 -6.395 1.00 33.52 H new ATOM 0 HA PHE A 86 -3.862 -12.392 -8.400 1.00 31.25 H new ATOM 0 HB2 PHE A 86 -6.732 -12.002 -8.041 1.00 13.13 H new ATOM 0 HB3 PHE A 86 -6.221 -11.422 -9.614 1.00 13.13 H new ATOM 0 HD1 PHE A 86 -4.220 -13.200 -10.558 1.00 63.33 H new ATOM 0 HD2 PHE A 86 -7.629 -14.127 -8.179 1.00 23.45 H new ATOM 0 HE1 PHE A 86 -4.180 -15.506 -11.401 1.00 22.31 H new ATOM 0 HE2 PHE A 86 -7.591 -16.434 -9.018 1.00 0.01 H new ATOM 0 HZ PHE A 86 -5.863 -17.130 -10.630 1.00 1.32 H new ATOM 926 N LYS A 87 -2.871 -10.131 -8.939 1.00 32.31 N ATOM 927 CA LYS A 87 -2.321 -8.919 -9.533 1.00 25.23 C ATOM 928 C LYS A 87 -2.420 -8.966 -11.054 1.00 43.41 C ATOM 929 O LYS A 87 -1.929 -9.898 -11.690 1.00 53.41 O ATOM 930 CB LYS A 87 -0.860 -8.740 -9.112 1.00 43.11 C ATOM 931 CG LYS A 87 -0.051 -7.883 -10.071 1.00 75.52 C ATOM 932 CD LYS A 87 0.656 -8.732 -11.115 1.00 4.52 C ATOM 933 CE LYS A 87 2.163 -8.727 -10.909 1.00 2.03 C ATOM 934 NZ LYS A 87 2.610 -9.867 -10.062 1.00 43.20 N ATOM 0 H LYS A 87 -2.170 -10.799 -8.618 1.00 32.31 H new ATOM 0 HA LYS A 87 -2.904 -8.070 -9.175 1.00 25.23 H new ATOM 0 HB2 LYS A 87 -0.829 -8.289 -8.120 1.00 43.11 H new ATOM 0 HB3 LYS A 87 -0.391 -9.721 -9.031 1.00 43.11 H new ATOM 0 HG2 LYS A 87 -0.709 -7.169 -10.566 1.00 75.52 H new ATOM 0 HG3 LYS A 87 0.684 -7.305 -9.512 1.00 75.52 H new ATOM 0 HD2 LYS A 87 0.284 -9.755 -11.066 1.00 4.52 H new ATOM 0 HD3 LYS A 87 0.422 -8.355 -12.111 1.00 4.52 H new ATOM 0 HE2 LYS A 87 2.662 -8.776 -11.877 1.00 2.03 H new ATOM 0 HE3 LYS A 87 2.463 -7.788 -10.443 1.00 2.03 H new ATOM 0 HZ1 LYS A 87 3.643 -9.829 -9.945 1.00 43.20 H new ATOM 0 HZ2 LYS A 87 2.153 -9.807 -9.130 1.00 43.20 H new ATOM 0 HZ3 LYS A 87 2.347 -10.763 -10.519 1.00 43.20 H new ATOM 948 N GLY A 88 -3.056 -7.951 -11.632 1.00 15.43 N ATOM 949 CA GLY A 88 -3.207 -7.895 -13.075 1.00 0.13 C ATOM 950 C GLY A 88 -3.204 -6.473 -13.603 1.00 31.34 C ATOM 951 O GLY A 88 -2.644 -6.200 -14.664 1.00 43.44 O ATOM 0 H GLY A 88 -3.469 -7.167 -11.127 1.00 15.43 H new ATOM 0 HA2 GLY A 88 -2.398 -8.455 -13.544 1.00 0.13 H new ATOM 0 HA3 GLY A 88 -4.139 -8.383 -13.359 1.00 0.13 H new ATOM 955 N LEU A 89 -3.831 -5.568 -12.862 1.00 15.12 N ATOM 956 CA LEU A 89 -3.900 -4.166 -13.261 1.00 73.15 C ATOM 957 C LEU A 89 -2.753 -3.368 -12.651 1.00 74.50 C ATOM 958 O LEU A 89 -2.144 -3.789 -11.667 1.00 43.51 O ATOM 959 CB LEU A 89 -5.240 -3.561 -12.839 1.00 53.32 C ATOM 960 CG LEU A 89 -5.772 -3.995 -11.474 1.00 13.33 C ATOM 961 CD1 LEU A 89 -4.755 -3.696 -10.384 1.00 52.25 C ATOM 962 CD2 LEU A 89 -7.096 -3.307 -11.173 1.00 61.33 C ATOM 0 H LEU A 89 -4.300 -5.779 -11.981 1.00 15.12 H new ATOM 0 HA LEU A 89 -3.813 -4.118 -14.346 1.00 73.15 H new ATOM 0 HB2 LEU A 89 -5.142 -2.475 -12.840 1.00 53.32 H new ATOM 0 HB3 LEU A 89 -5.984 -3.815 -13.594 1.00 53.32 H new ATOM 0 HG LEU A 89 -5.942 -5.071 -11.499 1.00 13.33 H new ATOM 0 HD11 LEU A 89 -5.152 -4.012 -9.419 1.00 52.25 H new ATOM 0 HD12 LEU A 89 -3.831 -4.236 -10.591 1.00 52.25 H new ATOM 0 HD13 LEU A 89 -4.552 -2.625 -10.360 1.00 52.25 H new ATOM 0 HD21 LEU A 89 -7.459 -3.628 -10.197 1.00 61.33 H new ATOM 0 HD22 LEU A 89 -6.952 -2.227 -11.169 1.00 61.33 H new ATOM 0 HD23 LEU A 89 -7.826 -3.573 -11.937 1.00 61.33 H new ATOM 974 N THR A 90 -2.464 -2.211 -13.240 1.00 31.52 N ATOM 975 CA THR A 90 -1.391 -1.354 -12.754 1.00 75.03 C ATOM 976 C THR A 90 -1.463 -1.188 -11.240 1.00 31.41 C ATOM 977 O THR A 90 -2.315 -0.464 -10.724 1.00 11.23 O ATOM 978 CB THR A 90 -1.442 0.037 -13.414 1.00 22.14 C ATOM 979 OG1 THR A 90 -2.623 0.734 -13.000 1.00 24.14 O ATOM 980 CG2 THR A 90 -1.423 -0.082 -14.930 1.00 44.01 C ATOM 0 H THR A 90 -2.959 -1.847 -14.054 1.00 31.52 H new ATOM 0 HA THR A 90 -0.452 -1.841 -13.019 1.00 75.03 H new ATOM 0 HB THR A 90 -0.561 0.596 -13.098 1.00 22.14 H new ATOM 0 HG1 THR A 90 -2.845 0.483 -12.079 1.00 24.14 H new ATOM 0 HG21 THR A 90 -1.460 0.913 -15.374 1.00 44.01 H new ATOM 0 HG22 THR A 90 -0.509 -0.586 -15.244 1.00 44.01 H new ATOM 0 HG23 THR A 90 -2.287 -0.659 -15.261 1.00 44.01 H new ATOM 988 N LEU A 91 -0.564 -1.863 -10.533 1.00 65.21 N ATOM 989 CA LEU A 91 -0.524 -1.790 -9.076 1.00 61.11 C ATOM 990 C LEU A 91 -0.370 -0.346 -8.608 1.00 24.43 C ATOM 991 O LEU A 91 -0.798 0.010 -7.511 1.00 12.33 O ATOM 992 CB LEU A 91 0.626 -2.640 -8.534 1.00 44.35 C ATOM 993 CG LEU A 91 2.035 -2.090 -8.765 1.00 11.35 C ATOM 994 CD1 LEU A 91 3.009 -2.678 -7.756 1.00 42.24 C ATOM 995 CD2 LEU A 91 2.495 -2.379 -10.186 1.00 64.01 C ATOM 0 H LEU A 91 0.147 -2.467 -10.944 1.00 65.21 H new ATOM 0 HA LEU A 91 -1.467 -2.179 -8.691 1.00 61.11 H new ATOM 0 HB2 LEU A 91 0.480 -2.771 -7.462 1.00 44.35 H new ATOM 0 HB3 LEU A 91 0.565 -3.629 -8.987 1.00 44.35 H new ATOM 0 HG LEU A 91 2.010 -1.009 -8.627 1.00 11.35 H new ATOM 0 HD11 LEU A 91 4.006 -2.276 -7.936 1.00 42.24 H new ATOM 0 HD12 LEU A 91 2.689 -2.418 -6.747 1.00 42.24 H new ATOM 0 HD13 LEU A 91 3.031 -3.763 -7.861 1.00 42.24 H new ATOM 0 HD21 LEU A 91 3.499 -1.980 -10.332 1.00 64.01 H new ATOM 0 HD22 LEU A 91 2.504 -3.456 -10.353 1.00 64.01 H new ATOM 0 HD23 LEU A 91 1.812 -1.908 -10.893 1.00 64.01 H new ATOM 1007 N VAL A 92 0.245 0.481 -9.447 1.00 63.22 N ATOM 1008 CA VAL A 92 0.453 1.886 -9.121 1.00 64.43 C ATOM 1009 C VAL A 92 -0.872 2.590 -8.852 1.00 61.31 C ATOM 1010 O VAL A 92 -0.909 3.646 -8.220 1.00 74.42 O ATOM 1011 CB VAL A 92 1.193 2.623 -10.255 1.00 34.40 C ATOM 1012 CG1 VAL A 92 2.504 1.923 -10.580 1.00 10.02 C ATOM 1013 CG2 VAL A 92 0.310 2.719 -11.490 1.00 22.21 C ATOM 0 H VAL A 92 0.608 0.202 -10.358 1.00 63.22 H new ATOM 0 HA VAL A 92 1.065 1.914 -8.220 1.00 64.43 H new ATOM 0 HB VAL A 92 1.423 3.634 -9.920 1.00 34.40 H new ATOM 0 HG11 VAL A 92 3.012 2.457 -11.383 1.00 10.02 H new ATOM 0 HG12 VAL A 92 3.139 1.910 -9.694 1.00 10.02 H new ATOM 0 HG13 VAL A 92 2.301 0.900 -10.897 1.00 10.02 H new ATOM 0 HG21 VAL A 92 0.847 3.242 -12.281 1.00 22.21 H new ATOM 0 HG22 VAL A 92 0.049 1.717 -11.830 1.00 22.21 H new ATOM 0 HG23 VAL A 92 -0.600 3.267 -11.245 1.00 22.21 H new ATOM 1023 N LYS A 93 -1.958 1.997 -9.335 1.00 1.41 N ATOM 1024 CA LYS A 93 -3.287 2.566 -9.146 1.00 34.22 C ATOM 1025 C LYS A 93 -3.692 2.527 -7.675 1.00 2.40 C ATOM 1026 O LYS A 93 -4.112 3.537 -7.110 1.00 52.53 O ATOM 1027 CB LYS A 93 -4.314 1.805 -9.987 1.00 53.51 C ATOM 1028 CG LYS A 93 -5.754 2.151 -9.649 1.00 31.32 C ATOM 1029 CD LYS A 93 -6.464 0.985 -8.979 1.00 11.40 C ATOM 1030 CE LYS A 93 -7.471 0.334 -9.914 1.00 34.23 C ATOM 1031 NZ LYS A 93 -8.704 -0.088 -9.194 1.00 71.32 N ATOM 0 H LYS A 93 -1.944 1.123 -9.860 1.00 1.41 H new ATOM 0 HA LYS A 93 -3.258 3.606 -9.470 1.00 34.22 H new ATOM 0 HB2 LYS A 93 -4.136 2.017 -11.041 1.00 53.51 H new ATOM 0 HB3 LYS A 93 -4.164 0.734 -9.847 1.00 53.51 H new ATOM 0 HG2 LYS A 93 -5.776 3.019 -8.990 1.00 31.32 H new ATOM 0 HG3 LYS A 93 -6.286 2.428 -10.559 1.00 31.32 H new ATOM 0 HD2 LYS A 93 -5.730 0.245 -8.661 1.00 11.40 H new ATOM 0 HD3 LYS A 93 -6.973 1.335 -8.081 1.00 11.40 H new ATOM 0 HE2 LYS A 93 -7.735 1.033 -10.707 1.00 34.23 H new ATOM 0 HE3 LYS A 93 -7.015 -0.533 -10.392 1.00 34.23 H new ATOM 0 HZ1 LYS A 93 -9.365 -0.527 -9.866 1.00 71.32 H new ATOM 0 HZ2 LYS A 93 -8.456 -0.775 -8.454 1.00 71.32 H new ATOM 0 HZ3 LYS A 93 -9.153 0.743 -8.759 1.00 71.32 H new ATOM 1045 N ARG A 94 -3.560 1.356 -7.061 1.00 34.14 N ATOM 1046 CA ARG A 94 -3.911 1.186 -5.656 1.00 15.33 C ATOM 1047 C ARG A 94 -2.956 1.969 -4.759 1.00 32.21 C ATOM 1048 O ARG A 94 -3.384 2.684 -3.853 1.00 3.22 O ATOM 1049 CB ARG A 94 -3.886 -0.295 -5.277 1.00 25.12 C ATOM 1050 CG ARG A 94 -5.205 -1.009 -5.522 1.00 54.32 C ATOM 1051 CD ARG A 94 -5.973 -1.221 -4.227 1.00 73.33 C ATOM 1052 NE ARG A 94 -6.165 0.028 -3.494 1.00 64.52 N ATOM 1053 CZ ARG A 94 -7.055 0.178 -2.519 1.00 71.14 C ATOM 1054 NH1 ARG A 94 -7.830 -0.837 -2.163 1.00 54.15 N ATOM 1055 NH2 ARG A 94 -7.170 1.345 -1.899 1.00 13.20 N ATOM 0 H ARG A 94 -3.213 0.511 -7.514 1.00 34.14 H new ATOM 0 HA ARG A 94 -4.919 1.573 -5.510 1.00 15.33 H new ATOM 0 HB2 ARG A 94 -3.102 -0.794 -5.846 1.00 25.12 H new ATOM 0 HB3 ARG A 94 -3.623 -0.387 -4.223 1.00 25.12 H new ATOM 0 HG2 ARG A 94 -5.812 -0.426 -6.215 1.00 54.32 H new ATOM 0 HG3 ARG A 94 -5.016 -1.972 -5.996 1.00 54.32 H new ATOM 0 HD2 ARG A 94 -6.944 -1.664 -4.450 1.00 73.33 H new ATOM 0 HD3 ARG A 94 -5.435 -1.931 -3.599 1.00 73.33 H new ATOM 0 HE ARG A 94 -5.584 0.828 -3.744 1.00 64.52 H new ATOM 0 HH11 ARG A 94 -7.744 -1.736 -2.638 1.00 54.15 H new ATOM 0 HH12 ARG A 94 -8.512 -0.719 -1.414 1.00 54.15 H new ATOM 0 HH21 ARG A 94 -6.575 2.128 -2.171 1.00 13.20 H new ATOM 0 HH22 ARG A 94 -7.853 1.460 -1.151 1.00 13.20 H new ATOM 1069 N HIS A 95 -1.660 1.826 -5.016 1.00 62.34 N ATOM 1070 CA HIS A 95 -0.643 2.519 -4.232 1.00 71.33 C ATOM 1071 C HIS A 95 -0.830 4.031 -4.314 1.00 72.45 C ATOM 1072 O HIS A 95 -0.589 4.749 -3.344 1.00 65.43 O ATOM 1073 CB HIS A 95 0.754 2.138 -4.720 1.00 24.40 C ATOM 1074 CG HIS A 95 1.829 3.069 -4.246 1.00 33.55 C ATOM 1075 ND1 HIS A 95 1.891 3.550 -2.955 1.00 10.11 N ATOM 1076 CD2 HIS A 95 2.886 3.605 -4.898 1.00 44.11 C ATOM 1077 CE1 HIS A 95 2.940 4.343 -2.834 1.00 44.11 C ATOM 1078 NE2 HIS A 95 3.561 4.393 -3.999 1.00 25.21 N ATOM 0 H HIS A 95 -1.289 1.237 -5.761 1.00 62.34 H new ATOM 0 HA HIS A 95 -0.751 2.214 -3.191 1.00 71.33 H new ATOM 0 HB2 HIS A 95 0.985 1.128 -4.382 1.00 24.40 H new ATOM 0 HB3 HIS A 95 0.756 2.118 -5.810 1.00 24.40 H new ATOM 0 HD2 HIS A 95 3.150 3.443 -5.933 1.00 44.11 H new ATOM 0 HE1 HIS A 95 3.239 4.862 -1.936 1.00 44.11 H new ATOM 0 HE2 HIS A 95 4.405 4.930 -4.198 1.00 25.21 H new ATOM 1086 N GLN A 96 -1.261 4.506 -5.479 1.00 13.01 N ATOM 1087 CA GLN A 96 -1.478 5.932 -5.687 1.00 54.54 C ATOM 1088 C GLN A 96 -2.738 6.402 -4.967 1.00 72.25 C ATOM 1089 O GLN A 96 -2.809 7.537 -4.493 1.00 21.52 O ATOM 1090 CB GLN A 96 -1.586 6.240 -7.182 1.00 2.53 C ATOM 1091 CG GLN A 96 -2.091 7.643 -7.479 1.00 23.21 C ATOM 1092 CD GLN A 96 -1.243 8.362 -8.510 1.00 21.43 C ATOM 1093 OE1 GLN A 96 -1.178 7.956 -9.670 1.00 20.03 O ATOM 1094 NE2 GLN A 96 -0.586 9.437 -8.089 1.00 71.13 N ATOM 0 H GLN A 96 -1.466 3.924 -6.291 1.00 13.01 H new ATOM 0 HA GLN A 96 -0.624 6.468 -5.273 1.00 54.54 H new ATOM 0 HB2 GLN A 96 -0.607 6.110 -7.643 1.00 2.53 H new ATOM 0 HB3 GLN A 96 -2.256 5.516 -7.646 1.00 2.53 H new ATOM 0 HG2 GLN A 96 -3.120 7.587 -7.835 1.00 23.21 H new ATOM 0 HG3 GLN A 96 -2.104 8.223 -6.556 1.00 23.21 H new ATOM 0 HE21 GLN A 96 -0.669 9.738 -7.118 1.00 71.13 H new ATOM 0 HE22 GLN A 96 0.002 9.962 -8.737 1.00 71.13 H new ATOM 1103 N LEU A 97 -3.732 5.523 -4.890 1.00 5.44 N ATOM 1104 CA LEU A 97 -4.991 5.848 -4.228 1.00 60.24 C ATOM 1105 C LEU A 97 -4.767 6.139 -2.747 1.00 75.42 C ATOM 1106 O LEU A 97 -5.231 7.154 -2.228 1.00 12.55 O ATOM 1107 CB LEU A 97 -5.986 4.697 -4.389 1.00 32.11 C ATOM 1108 CG LEU A 97 -6.613 4.542 -5.775 1.00 32.33 C ATOM 1109 CD1 LEU A 97 -6.954 3.084 -6.045 1.00 43.05 C ATOM 1110 CD2 LEU A 97 -7.855 5.413 -5.899 1.00 43.24 C ATOM 0 H LEU A 97 -3.690 4.580 -5.278 1.00 5.44 H new ATOM 0 HA LEU A 97 -5.401 6.742 -4.697 1.00 60.24 H new ATOM 0 HB2 LEU A 97 -5.479 3.766 -4.135 1.00 32.11 H new ATOM 0 HB3 LEU A 97 -6.787 4.831 -3.662 1.00 32.11 H new ATOM 0 HG LEU A 97 -5.888 4.870 -6.520 1.00 32.33 H new ATOM 0 HD11 LEU A 97 -7.399 2.992 -7.036 1.00 43.05 H new ATOM 0 HD12 LEU A 97 -6.046 2.483 -5.998 1.00 43.05 H new ATOM 0 HD13 LEU A 97 -7.662 2.731 -5.295 1.00 43.05 H new ATOM 0 HD21 LEU A 97 -8.288 5.290 -6.892 1.00 43.24 H new ATOM 0 HD22 LEU A 97 -8.584 5.116 -5.146 1.00 43.24 H new ATOM 0 HD23 LEU A 97 -7.583 6.458 -5.749 1.00 43.24 H new ATOM 1122 N ILE A 98 -4.054 5.242 -2.074 1.00 31.11 N ATOM 1123 CA ILE A 98 -3.767 5.405 -0.655 1.00 15.14 C ATOM 1124 C ILE A 98 -2.578 6.335 -0.437 1.00 74.42 C ATOM 1125 O ILE A 98 -2.515 7.057 0.558 1.00 72.41 O ATOM 1126 CB ILE A 98 -3.477 4.051 0.020 1.00 0.42 C ATOM 1127 CG1 ILE A 98 -2.253 3.391 -0.619 1.00 33.04 C ATOM 1128 CG2 ILE A 98 -4.691 3.139 -0.079 1.00 40.34 C ATOM 1129 CD1 ILE A 98 -1.909 2.048 -0.014 1.00 64.04 C ATOM 0 H ILE A 98 -3.665 4.395 -2.489 1.00 31.11 H new ATOM 0 HA ILE A 98 -4.656 5.844 -0.202 1.00 15.14 H new ATOM 0 HB ILE A 98 -3.264 4.225 1.075 1.00 0.42 H new ATOM 0 HG12 ILE A 98 -2.434 3.265 -1.686 1.00 33.04 H new ATOM 0 HG13 ILE A 98 -1.396 4.057 -0.517 1.00 33.04 H new ATOM 0 HG21 ILE A 98 -4.471 2.186 0.402 1.00 40.34 H new ATOM 0 HG22 ILE A 98 -5.540 3.608 0.417 1.00 40.34 H new ATOM 0 HG23 ILE A 98 -4.933 2.968 -1.128 1.00 40.34 H new ATOM 0 HD11 ILE A 98 -1.032 1.638 -0.514 1.00 64.04 H new ATOM 0 HD12 ILE A 98 -1.697 2.171 1.048 1.00 64.04 H new ATOM 0 HD13 ILE A 98 -2.750 1.366 -0.139 1.00 64.04 H new ATOM 1141 N TYR A 99 -1.638 6.313 -1.375 1.00 72.42 N ATOM 1142 CA TYR A 99 -0.450 7.152 -1.286 1.00 42.41 C ATOM 1143 C TYR A 99 0.049 7.241 0.153 1.00 50.24 C ATOM 1144 O TYR A 99 0.424 8.312 0.627 1.00 3.22 O ATOM 1145 CB TYR A 99 -0.749 8.554 -1.821 1.00 64.44 C ATOM 1146 CG TYR A 99 -1.921 9.224 -1.142 1.00 32.51 C ATOM 1147 CD1 TYR A 99 -3.217 9.047 -1.612 1.00 41.33 C ATOM 1148 CD2 TYR A 99 -1.734 10.033 -0.027 1.00 62.22 C ATOM 1149 CE1 TYR A 99 -4.290 9.659 -0.994 1.00 73.31 C ATOM 1150 CE2 TYR A 99 -2.802 10.647 0.598 1.00 71.51 C ATOM 1151 CZ TYR A 99 -4.078 10.457 0.110 1.00 0.31 C ATOM 1152 OH TYR A 99 -5.145 11.067 0.729 1.00 30.41 O ATOM 0 H TYR A 99 -1.676 5.723 -2.206 1.00 72.42 H new ATOM 0 HA TYR A 99 0.331 6.696 -1.894 1.00 42.41 H new ATOM 0 HB2 TYR A 99 0.137 9.177 -1.697 1.00 64.44 H new ATOM 0 HB3 TYR A 99 -0.947 8.491 -2.891 1.00 64.44 H new ATOM 0 HD1 TYR A 99 -3.388 8.420 -2.475 1.00 41.33 H new ATOM 0 HD2 TYR A 99 -0.736 10.184 0.357 1.00 62.22 H new ATOM 0 HE1 TYR A 99 -5.290 9.513 -1.374 1.00 73.31 H new ATOM 0 HE2 TYR A 99 -2.639 11.272 1.464 1.00 71.51 H new ATOM 0 HH TYR A 99 -4.824 11.593 1.491 1.00 30.41 H new ATOM 1162 N GLY A 100 0.049 6.105 0.843 1.00 54.02 N ATOM 1163 CA GLY A 100 0.503 6.074 2.221 1.00 54.22 C ATOM 1164 C GLY A 100 2.012 6.157 2.336 1.00 12.14 C ATOM 1165 O GLY A 100 2.539 6.801 3.245 1.00 34.35 O ATOM 0 H GLY A 100 -0.257 5.205 0.472 1.00 54.02 H new ATOM 0 HA2 GLY A 100 0.054 6.904 2.767 1.00 54.22 H new ATOM 0 HA3 GLY A 100 0.156 5.156 2.694 1.00 54.22 H new ATOM 1169 N LEU A 101 2.711 5.504 1.414 1.00 0.51 N ATOM 1170 CA LEU A 101 4.169 5.506 1.417 1.00 63.04 C ATOM 1171 C LEU A 101 4.713 6.931 1.437 1.00 71.51 C ATOM 1172 O LEU A 101 3.964 7.895 1.268 1.00 2.13 O ATOM 1173 CB LEU A 101 4.702 4.762 0.190 1.00 41.02 C ATOM 1174 CG LEU A 101 5.984 3.955 0.399 1.00 74.34 C ATOM 1175 CD1 LEU A 101 5.670 2.470 0.491 1.00 74.12 C ATOM 1176 CD2 LEU A 101 6.972 4.225 -0.726 1.00 63.44 C ATOM 0 H LEU A 101 2.291 4.967 0.655 1.00 0.51 H new ATOM 0 HA LEU A 101 4.506 4.996 2.319 1.00 63.04 H new ATOM 0 HB2 LEU A 101 3.925 4.086 -0.166 1.00 41.02 H new ATOM 0 HB3 LEU A 101 4.879 5.489 -0.602 1.00 41.02 H new ATOM 0 HG LEU A 101 6.440 4.268 1.339 1.00 74.34 H new ATOM 0 HD11 LEU A 101 6.594 1.911 0.640 1.00 74.12 H new ATOM 0 HD12 LEU A 101 4.999 2.291 1.331 1.00 74.12 H new ATOM 0 HD13 LEU A 101 5.192 2.141 -0.432 1.00 74.12 H new ATOM 0 HD21 LEU A 101 7.879 3.643 -0.562 1.00 63.44 H new ATOM 0 HD22 LEU A 101 6.525 3.940 -1.679 1.00 63.44 H new ATOM 0 HD23 LEU A 101 7.221 5.286 -0.745 1.00 63.44 H new ATOM 1188 N LEU A 102 6.019 7.058 1.642 1.00 53.11 N ATOM 1189 CA LEU A 102 6.664 8.365 1.682 1.00 2.43 C ATOM 1190 C LEU A 102 6.079 9.227 2.797 1.00 32.22 C ATOM 1191 O LEU A 102 5.353 10.186 2.537 1.00 14.43 O ATOM 1192 CB LEU A 102 6.505 9.076 0.337 1.00 32.11 C ATOM 1193 CG LEU A 102 7.618 8.835 -0.684 1.00 55.24 C ATOM 1194 CD1 LEU A 102 7.045 8.274 -1.977 1.00 13.43 C ATOM 1195 CD2 LEU A 102 8.382 10.123 -0.953 1.00 21.22 C ATOM 0 H LEU A 102 6.652 6.271 1.783 1.00 53.11 H new ATOM 0 HA LEU A 102 7.725 8.213 1.883 1.00 2.43 H new ATOM 0 HB2 LEU A 102 5.559 8.765 -0.106 1.00 32.11 H new ATOM 0 HB3 LEU A 102 6.434 10.148 0.521 1.00 32.11 H new ATOM 0 HG LEU A 102 8.312 8.103 -0.270 1.00 55.24 H new ATOM 0 HD11 LEU A 102 7.852 8.109 -2.691 1.00 13.43 H new ATOM 0 HD12 LEU A 102 6.543 7.329 -1.772 1.00 13.43 H new ATOM 0 HD13 LEU A 102 6.329 8.982 -2.395 1.00 13.43 H new ATOM 0 HD21 LEU A 102 9.170 9.933 -1.682 1.00 21.22 H new ATOM 0 HD22 LEU A 102 7.699 10.876 -1.345 1.00 21.22 H new ATOM 0 HD23 LEU A 102 8.825 10.484 -0.025 1.00 21.22 H new ATOM 1207 N SER A 103 6.404 8.879 4.039 1.00 51.34 N ATOM 1208 CA SER A 103 5.909 9.620 5.193 1.00 71.32 C ATOM 1209 C SER A 103 6.770 9.347 6.422 1.00 21.24 C ATOM 1210 O SER A 103 7.589 10.176 6.819 1.00 53.34 O ATOM 1211 CB SER A 103 4.454 9.245 5.482 1.00 71.13 C ATOM 1212 OG SER A 103 4.210 7.882 5.184 1.00 72.14 O ATOM 0 H SER A 103 7.007 8.090 4.271 1.00 51.34 H new ATOM 0 HA SER A 103 5.963 10.684 4.961 1.00 71.32 H new ATOM 0 HB2 SER A 103 4.227 9.438 6.531 1.00 71.13 H new ATOM 0 HB3 SER A 103 3.789 9.874 4.891 1.00 71.13 H new ATOM 0 HG SER A 103 3.581 7.818 4.436 1.00 72.14 H new ATOM 1218 N ASP A 104 6.578 8.177 7.022 1.00 34.04 N ATOM 1219 CA ASP A 104 7.337 7.792 8.208 1.00 62.32 C ATOM 1220 C ASP A 104 8.738 7.327 7.827 1.00 64.23 C ATOM 1221 O ASP A 104 9.698 7.552 8.563 1.00 4.02 O ATOM 1222 CB ASP A 104 6.607 6.684 8.968 1.00 1.12 C ATOM 1223 CG ASP A 104 7.129 6.511 10.381 1.00 2.41 C ATOM 1224 OD1 ASP A 104 8.355 6.333 10.543 1.00 62.33 O ATOM 1225 OD2 ASP A 104 6.313 6.553 11.325 1.00 2.11 O ATOM 0 H ASP A 104 5.904 7.479 6.707 1.00 34.04 H new ATOM 0 HA ASP A 104 7.426 8.666 8.853 1.00 62.32 H new ATOM 0 HB2 ASP A 104 5.542 6.912 9.003 1.00 1.12 H new ATOM 0 HB3 ASP A 104 6.714 5.744 8.426 1.00 1.12 H new ATOM 1230 N GLU A 105 8.848 6.675 6.673 1.00 64.13 N ATOM 1231 CA GLU A 105 10.133 6.176 6.196 1.00 0.45 C ATOM 1232 C GLU A 105 11.176 7.290 6.181 1.00 2.20 C ATOM 1233 O GLU A 105 12.361 7.049 6.416 1.00 12.11 O ATOM 1234 CB GLU A 105 9.986 5.580 4.795 1.00 21.12 C ATOM 1235 CG GLU A 105 10.244 6.578 3.679 1.00 61.13 C ATOM 1236 CD GLU A 105 9.768 6.078 2.329 1.00 1.23 C ATOM 1237 OE1 GLU A 105 8.541 6.072 2.097 1.00 21.01 O ATOM 1238 OE2 GLU A 105 10.624 5.694 1.504 1.00 22.00 O ATOM 0 H GLU A 105 8.063 6.480 6.052 1.00 64.13 H new ATOM 0 HA GLU A 105 10.468 5.396 6.880 1.00 0.45 H new ATOM 0 HB2 GLU A 105 10.678 4.744 4.691 1.00 21.12 H new ATOM 0 HB3 GLU A 105 8.979 5.177 4.685 1.00 21.12 H new ATOM 0 HG2 GLU A 105 9.742 7.517 3.913 1.00 61.13 H new ATOM 0 HG3 GLU A 105 11.312 6.792 3.627 1.00 61.13 H new ATOM 1245 N PHE A 106 10.728 8.509 5.901 1.00 61.44 N ATOM 1246 CA PHE A 106 11.622 9.660 5.851 1.00 1.33 C ATOM 1247 C PHE A 106 12.006 10.111 7.258 1.00 52.24 C ATOM 1248 O PHE A 106 13.091 10.650 7.475 1.00 23.15 O ATOM 1249 CB PHE A 106 10.961 10.814 5.096 1.00 50.31 C ATOM 1250 CG PHE A 106 11.759 11.295 3.918 1.00 43.22 C ATOM 1251 CD1 PHE A 106 11.932 10.487 2.805 1.00 15.25 C ATOM 1252 CD2 PHE A 106 12.337 12.554 3.923 1.00 34.30 C ATOM 1253 CE1 PHE A 106 12.664 10.927 1.719 1.00 23.51 C ATOM 1254 CE2 PHE A 106 13.071 12.998 2.839 1.00 51.42 C ATOM 1255 CZ PHE A 106 13.236 12.183 1.736 1.00 34.11 C ATOM 0 H PHE A 106 9.751 8.726 5.705 1.00 61.44 H new ATOM 0 HA PHE A 106 12.528 9.362 5.323 1.00 1.33 H new ATOM 0 HB2 PHE A 106 9.977 10.496 4.752 1.00 50.31 H new ATOM 0 HB3 PHE A 106 10.806 11.646 5.783 1.00 50.31 H new ATOM 0 HD1 PHE A 106 11.489 9.502 2.787 1.00 15.25 H new ATOM 0 HD2 PHE A 106 12.213 13.195 4.783 1.00 34.30 H new ATOM 0 HE1 PHE A 106 12.789 10.288 0.857 1.00 23.51 H new ATOM 0 HE2 PHE A 106 13.515 13.982 2.854 1.00 51.42 H new ATOM 0 HZ PHE A 106 13.811 12.528 0.889 1.00 34.11 H new ATOM 1265 N LYS A 107 11.106 9.887 8.210 1.00 11.33 N ATOM 1266 CA LYS A 107 11.348 10.269 9.597 1.00 44.40 C ATOM 1267 C LYS A 107 12.590 9.572 10.144 1.00 51.10 C ATOM 1268 O LYS A 107 13.189 10.027 11.118 1.00 50.43 O ATOM 1269 CB LYS A 107 10.134 9.923 10.461 1.00 12.31 C ATOM 1270 CG LYS A 107 10.293 10.320 11.919 1.00 33.32 C ATOM 1271 CD LYS A 107 9.097 11.115 12.415 1.00 51.03 C ATOM 1272 CE LYS A 107 7.812 10.307 12.321 1.00 73.44 C ATOM 1273 NZ LYS A 107 7.897 9.037 13.093 1.00 31.23 N ATOM 0 H LYS A 107 10.202 9.443 8.047 1.00 11.33 H new ATOM 0 HA LYS A 107 11.514 11.346 9.628 1.00 44.40 H new ATOM 0 HB2 LYS A 107 9.254 10.419 10.052 1.00 12.31 H new ATOM 0 HB3 LYS A 107 9.951 8.850 10.403 1.00 12.31 H new ATOM 0 HG2 LYS A 107 10.414 9.425 12.529 1.00 33.32 H new ATOM 0 HG3 LYS A 107 11.200 10.913 12.039 1.00 33.32 H new ATOM 0 HD2 LYS A 107 9.263 11.417 13.449 1.00 51.03 H new ATOM 0 HD3 LYS A 107 8.997 12.028 11.828 1.00 51.03 H new ATOM 0 HE2 LYS A 107 6.980 10.904 12.694 1.00 73.44 H new ATOM 0 HE3 LYS A 107 7.600 10.083 11.276 1.00 73.44 H new ATOM 0 HZ1 LYS A 107 6.947 8.625 13.189 1.00 31.23 H new ATOM 0 HZ2 LYS A 107 8.516 8.368 12.593 1.00 31.23 H new ATOM 0 HZ3 LYS A 107 8.287 9.230 14.037 1.00 31.23 H new ATOM 1287 N ALA A 108 12.971 8.468 9.510 1.00 2.34 N ATOM 1288 CA ALA A 108 14.143 7.712 9.932 1.00 23.13 C ATOM 1289 C ALA A 108 15.287 7.870 8.935 1.00 31.05 C ATOM 1290 O ALA A 108 16.458 7.826 9.308 1.00 2.21 O ATOM 1291 CB ALA A 108 13.789 6.242 10.103 1.00 44.00 C ATOM 0 H ALA A 108 12.485 8.078 8.703 1.00 2.34 H new ATOM 0 HA ALA A 108 14.475 8.109 10.891 1.00 23.13 H new ATOM 0 HB1 ALA A 108 14.674 5.689 10.418 1.00 44.00 H new ATOM 0 HB2 ALA A 108 13.010 6.141 10.858 1.00 44.00 H new ATOM 0 HB3 ALA A 108 13.430 5.842 9.155 1.00 44.00 H new ATOM 1297 N GLY A 109 14.938 8.055 7.666 1.00 31.12 N ATOM 1298 CA GLY A 109 15.948 8.216 6.635 1.00 15.33 C ATOM 1299 C GLY A 109 16.101 6.978 5.776 1.00 11.10 C ATOM 1300 O GLY A 109 17.116 6.805 5.099 1.00 22.10 O ATOM 0 H GLY A 109 13.975 8.096 7.333 1.00 31.12 H new ATOM 0 HA2 GLY A 109 15.685 9.063 6.002 1.00 15.33 H new ATOM 0 HA3 GLY A 109 16.905 8.451 7.101 1.00 15.33 H new ATOM 1304 N LEU A 110 15.093 6.112 5.802 1.00 3.52 N ATOM 1305 CA LEU A 110 15.122 4.881 5.019 1.00 2.41 C ATOM 1306 C LEU A 110 13.979 4.851 4.010 1.00 52.31 C ATOM 1307 O LEU A 110 12.855 5.252 4.316 1.00 4.23 O ATOM 1308 CB LEU A 110 15.033 3.665 5.943 1.00 24.10 C ATOM 1309 CG LEU A 110 16.026 3.631 7.105 1.00 13.31 C ATOM 1310 CD1 LEU A 110 17.388 4.141 6.660 1.00 70.25 C ATOM 1311 CD2 LEU A 110 15.504 4.452 8.276 1.00 30.20 C ATOM 0 H LEU A 110 14.246 6.239 6.356 1.00 3.52 H new ATOM 0 HA LEU A 110 16.065 4.848 4.473 1.00 2.41 H new ATOM 0 HB2 LEU A 110 14.024 3.618 6.352 1.00 24.10 H new ATOM 0 HB3 LEU A 110 15.176 2.766 5.343 1.00 24.10 H new ATOM 0 HG LEU A 110 16.138 2.597 7.432 1.00 13.31 H new ATOM 0 HD11 LEU A 110 18.081 4.109 7.501 1.00 70.25 H new ATOM 0 HD12 LEU A 110 17.766 3.512 5.854 1.00 70.25 H new ATOM 0 HD13 LEU A 110 17.294 5.168 6.306 1.00 70.25 H new ATOM 0 HD21 LEU A 110 16.223 4.417 9.094 1.00 30.20 H new ATOM 0 HD22 LEU A 110 15.363 5.486 7.961 1.00 30.20 H new ATOM 0 HD23 LEU A 110 14.552 4.042 8.612 1.00 30.20 H new ATOM 1323 N HIS A 111 14.273 4.373 2.805 1.00 22.31 N ATOM 1324 CA HIS A 111 13.269 4.287 1.750 1.00 45.21 C ATOM 1325 C HIS A 111 12.120 3.374 2.166 1.00 72.52 C ATOM 1326 O HIS A 111 11.989 3.020 3.337 1.00 12.33 O ATOM 1327 CB HIS A 111 13.901 3.775 0.456 1.00 50.11 C ATOM 1328 CG HIS A 111 13.490 4.549 -0.759 1.00 34.14 C ATOM 1329 ND1 HIS A 111 13.794 5.882 -0.941 1.00 71.52 N ATOM 1330 CD2 HIS A 111 12.795 4.170 -1.857 1.00 51.12 C ATOM 1331 CE1 HIS A 111 13.303 6.288 -2.098 1.00 4.22 C ATOM 1332 NE2 HIS A 111 12.692 5.269 -2.674 1.00 23.35 N ATOM 0 H HIS A 111 15.198 4.039 2.535 1.00 22.31 H new ATOM 0 HA HIS A 111 12.871 5.287 1.579 1.00 45.21 H new ATOM 0 HB2 HIS A 111 14.986 3.814 0.551 1.00 50.11 H new ATOM 0 HB3 HIS A 111 13.630 2.728 0.319 1.00 50.11 H new ATOM 0 HD2 HIS A 111 12.396 3.186 -2.054 1.00 51.12 H new ATOM 0 HE1 HIS A 111 13.387 7.285 -2.504 1.00 4.22 H new ATOM 0 HE2 HIS A 111 12.220 5.294 -3.578 1.00 23.35 H new ATOM 1340 N ALA A 112 11.291 2.997 1.199 1.00 74.53 N ATOM 1341 CA ALA A 112 10.154 2.124 1.464 1.00 64.50 C ATOM 1342 C ALA A 112 9.743 1.361 0.210 1.00 51.01 C ATOM 1343 O ALA A 112 10.037 1.782 -0.910 1.00 53.35 O ATOM 1344 CB ALA A 112 8.983 2.931 2.002 1.00 11.42 C ATOM 0 H ALA A 112 11.385 3.282 0.224 1.00 74.53 H new ATOM 0 HA ALA A 112 10.455 1.396 2.217 1.00 64.50 H new ATOM 0 HB1 ALA A 112 8.141 2.266 2.195 1.00 11.42 H new ATOM 0 HB2 ALA A 112 9.276 3.424 2.929 1.00 11.42 H new ATOM 0 HB3 ALA A 112 8.691 3.682 1.268 1.00 11.42 H new ATOM 1350 N LEU A 113 9.061 0.237 0.403 1.00 41.05 N ATOM 1351 CA LEU A 113 8.609 -0.585 -0.715 1.00 14.43 C ATOM 1352 C LEU A 113 7.094 -0.767 -0.678 1.00 43.03 C ATOM 1353 O LEU A 113 6.547 -1.299 0.287 1.00 54.33 O ATOM 1354 CB LEU A 113 9.300 -1.950 -0.682 1.00 15.43 C ATOM 1355 CG LEU A 113 9.459 -2.587 0.699 1.00 63.52 C ATOM 1356 CD1 LEU A 113 9.422 -4.105 0.593 1.00 3.35 C ATOM 1357 CD2 LEU A 113 10.754 -2.128 1.352 1.00 50.21 C ATOM 0 H LEU A 113 8.809 -0.126 1.322 1.00 41.05 H new ATOM 0 HA LEU A 113 8.873 -0.074 -1.641 1.00 14.43 H new ATOM 0 HB2 LEU A 113 8.736 -2.636 -1.314 1.00 15.43 H new ATOM 0 HB3 LEU A 113 10.289 -1.845 -1.128 1.00 15.43 H new ATOM 0 HG LEU A 113 8.626 -2.266 1.325 1.00 63.52 H new ATOM 0 HD11 LEU A 113 9.537 -4.542 1.585 1.00 3.35 H new ATOM 0 HD12 LEU A 113 8.468 -4.417 0.167 1.00 3.35 H new ATOM 0 HD13 LEU A 113 10.235 -4.445 -0.049 1.00 3.35 H new ATOM 0 HD21 LEU A 113 10.850 -2.591 2.334 1.00 50.21 H new ATOM 0 HD22 LEU A 113 11.599 -2.420 0.729 1.00 50.21 H new ATOM 0 HD23 LEU A 113 10.742 -1.044 1.462 1.00 50.21 H new ATOM 1369 N SER A 114 6.426 -0.325 -1.739 1.00 14.43 N ATOM 1370 CA SER A 114 4.974 -0.438 -1.828 1.00 30.12 C ATOM 1371 C SER A 114 4.572 -1.387 -2.952 1.00 74.03 C ATOM 1372 O SER A 114 4.990 -1.223 -4.098 1.00 11.14 O ATOM 1373 CB SER A 114 4.348 0.939 -2.057 1.00 71.41 C ATOM 1374 OG SER A 114 3.383 0.893 -3.094 1.00 74.34 O ATOM 0 H SER A 114 6.866 0.114 -2.548 1.00 14.43 H new ATOM 0 HA SER A 114 4.606 -0.843 -0.885 1.00 30.12 H new ATOM 0 HB2 SER A 114 3.881 1.288 -1.136 1.00 71.41 H new ATOM 0 HB3 SER A 114 5.126 1.658 -2.312 1.00 71.41 H new ATOM 0 HG SER A 114 3.778 1.233 -3.924 1.00 74.34 H new ATOM 1380 N MET A 115 3.755 -2.380 -2.615 1.00 51.33 N ATOM 1381 CA MET A 115 3.294 -3.355 -3.596 1.00 32.31 C ATOM 1382 C MET A 115 1.843 -3.748 -3.332 1.00 60.05 C ATOM 1383 O MET A 115 1.517 -4.287 -2.275 1.00 33.14 O ATOM 1384 CB MET A 115 4.184 -4.600 -3.568 1.00 41.31 C ATOM 1385 CG MET A 115 4.502 -5.087 -2.164 1.00 13.14 C ATOM 1386 SD MET A 115 5.596 -6.520 -2.158 1.00 11.21 S ATOM 1387 CE MET A 115 4.424 -7.841 -2.455 1.00 65.44 C ATOM 0 H MET A 115 3.399 -2.530 -1.671 1.00 51.33 H new ATOM 0 HA MET A 115 3.355 -2.896 -4.583 1.00 32.31 H new ATOM 0 HB2 MET A 115 3.692 -5.401 -4.119 1.00 41.31 H new ATOM 0 HB3 MET A 115 5.117 -4.382 -4.088 1.00 41.31 H new ATOM 0 HG2 MET A 115 4.966 -4.278 -1.599 1.00 13.14 H new ATOM 0 HG3 MET A 115 3.574 -5.341 -1.653 1.00 13.14 H new ATOM 0 HE1 MET A 115 4.368 -8.482 -1.576 1.00 65.44 H new ATOM 0 HE2 MET A 115 3.441 -7.416 -2.657 1.00 65.44 H new ATOM 0 HE3 MET A 115 4.749 -8.429 -3.313 1.00 65.44 H new ATOM 1397 N THR A 116 0.975 -3.473 -4.301 1.00 71.22 N ATOM 1398 CA THR A 116 -0.441 -3.796 -4.172 1.00 70.24 C ATOM 1399 C THR A 116 -0.896 -4.727 -5.291 1.00 30.42 C ATOM 1400 O THR A 116 -0.599 -4.499 -6.463 1.00 53.35 O ATOM 1401 CB THR A 116 -1.311 -2.525 -4.192 1.00 63.13 C ATOM 1402 OG1 THR A 116 -2.612 -2.831 -4.708 1.00 43.34 O ATOM 1403 CG2 THR A 116 -0.665 -1.441 -5.040 1.00 50.31 C ATOM 0 H THR A 116 1.228 -3.028 -5.183 1.00 71.22 H new ATOM 0 HA THR A 116 -0.565 -4.297 -3.212 1.00 70.24 H new ATOM 0 HB THR A 116 -1.403 -2.157 -3.170 1.00 63.13 H new ATOM 0 HG1 THR A 116 -2.586 -2.820 -5.688 1.00 43.34 H new ATOM 0 HG21 THR A 116 -1.297 -0.553 -5.039 1.00 50.31 H new ATOM 0 HG22 THR A 116 0.312 -1.191 -4.628 1.00 50.31 H new ATOM 0 HG23 THR A 116 -0.546 -1.801 -6.062 1.00 50.31 H new ATOM 1411 N THR A 117 -1.620 -5.780 -4.921 1.00 23.24 N ATOM 1412 CA THR A 117 -2.115 -6.746 -5.892 1.00 21.11 C ATOM 1413 C THR A 117 -3.637 -6.834 -5.852 1.00 60.01 C ATOM 1414 O THR A 117 -4.222 -7.211 -4.837 1.00 25.43 O ATOM 1415 CB THR A 117 -1.525 -8.147 -5.643 1.00 42.43 C ATOM 1416 OG1 THR A 117 -2.224 -9.120 -6.428 1.00 3.41 O ATOM 1417 CG2 THR A 117 -1.613 -8.518 -4.170 1.00 41.44 C ATOM 0 H THR A 117 -1.876 -5.984 -3.955 1.00 23.24 H new ATOM 0 HA THR A 117 -1.799 -6.397 -6.875 1.00 21.11 H new ATOM 0 HB THR A 117 -0.475 -8.132 -5.935 1.00 42.43 H new ATOM 0 HG1 THR A 117 -1.842 -10.008 -6.265 1.00 3.41 H new ATOM 0 HG21 THR A 117 -1.190 -9.511 -4.019 1.00 41.44 H new ATOM 0 HG22 THR A 117 -1.055 -7.792 -3.578 1.00 41.44 H new ATOM 0 HG23 THR A 117 -2.657 -8.516 -3.856 1.00 41.44 H new ATOM 1425 N LYS A 118 -4.274 -6.484 -6.965 1.00 71.41 N ATOM 1426 CA LYS A 118 -5.729 -6.526 -7.059 1.00 21.01 C ATOM 1427 C LYS A 118 -6.172 -6.992 -8.443 1.00 24.13 C ATOM 1428 O LYS A 118 -5.577 -6.619 -9.455 1.00 24.14 O ATOM 1429 CB LYS A 118 -6.319 -5.146 -6.761 1.00 43.42 C ATOM 1430 CG LYS A 118 -7.834 -5.097 -6.863 1.00 2.31 C ATOM 1431 CD LYS A 118 -8.286 -4.186 -7.992 1.00 54.12 C ATOM 1432 CE LYS A 118 -9.738 -4.444 -8.368 1.00 22.04 C ATOM 1433 NZ LYS A 118 -10.183 -3.575 -9.492 1.00 1.53 N ATOM 0 H LYS A 118 -3.806 -6.168 -7.814 1.00 71.41 H new ATOM 0 HA LYS A 118 -6.096 -7.239 -6.321 1.00 21.01 H new ATOM 0 HB2 LYS A 118 -6.021 -4.842 -5.758 1.00 43.42 H new ATOM 0 HB3 LYS A 118 -5.893 -4.421 -7.454 1.00 43.42 H new ATOM 0 HG2 LYS A 118 -8.221 -6.102 -7.028 1.00 2.31 H new ATOM 0 HG3 LYS A 118 -8.252 -4.745 -5.920 1.00 2.31 H new ATOM 0 HD2 LYS A 118 -8.166 -3.145 -7.691 1.00 54.12 H new ATOM 0 HD3 LYS A 118 -7.650 -4.341 -8.863 1.00 54.12 H new ATOM 0 HE2 LYS A 118 -9.860 -5.490 -8.648 1.00 22.04 H new ATOM 0 HE3 LYS A 118 -10.374 -4.270 -7.500 1.00 22.04 H new ATOM 0 HZ1 LYS A 118 -11.182 -3.769 -9.707 1.00 1.53 H new ATOM 0 HZ2 LYS A 118 -10.075 -2.576 -9.223 1.00 1.53 H new ATOM 0 HZ3 LYS A 118 -9.604 -3.772 -10.333 1.00 1.53 H new ATOM 1447 N THR A 119 -7.220 -7.807 -8.480 1.00 35.01 N ATOM 1448 CA THR A 119 -7.743 -8.324 -9.739 1.00 3.14 C ATOM 1449 C THR A 119 -8.075 -7.190 -10.702 1.00 70.31 C ATOM 1450 O THR A 119 -8.262 -6.040 -10.304 1.00 51.12 O ATOM 1451 CB THR A 119 -9.004 -9.178 -9.515 1.00 32.23 C ATOM 1452 OG1 THR A 119 -9.550 -8.916 -8.217 1.00 61.51 O ATOM 1453 CG2 THR A 119 -8.685 -10.660 -9.647 1.00 33.10 C ATOM 0 H THR A 119 -7.724 -8.124 -7.652 1.00 35.01 H new ATOM 0 HA THR A 119 -6.963 -8.949 -10.173 1.00 3.14 H new ATOM 0 HB THR A 119 -9.736 -8.911 -10.277 1.00 32.23 H new ATOM 0 HG1 THR A 119 -10.353 -9.462 -8.083 1.00 61.51 H new ATOM 0 HG21 THR A 119 -9.591 -11.243 -9.485 1.00 33.10 H new ATOM 0 HG22 THR A 119 -8.298 -10.861 -10.646 1.00 33.10 H new ATOM 0 HG23 THR A 119 -7.937 -10.939 -8.905 1.00 33.10 H new ATOM 1461 N PRO A 120 -8.151 -7.519 -12.000 1.00 15.32 N ATOM 1462 CA PRO A 120 -8.463 -6.542 -13.047 1.00 41.44 C ATOM 1463 C PRO A 120 -9.910 -6.064 -12.982 1.00 1.53 C ATOM 1464 O PRO A 120 -10.813 -6.833 -12.657 1.00 54.41 O ATOM 1465 CB PRO A 120 -8.215 -7.318 -14.343 1.00 4.10 C ATOM 1466 CG PRO A 120 -8.406 -8.748 -13.970 1.00 3.12 C ATOM 1467 CD PRO A 120 -7.940 -8.871 -12.546 1.00 1.42 C ATOM 0 HA PRO A 120 -7.860 -5.639 -12.953 1.00 41.44 H new ATOM 0 HB2 PRO A 120 -8.912 -7.016 -15.125 1.00 4.10 H new ATOM 0 HB3 PRO A 120 -7.210 -7.139 -14.725 1.00 4.10 H new ATOM 0 HG2 PRO A 120 -9.452 -9.039 -14.065 1.00 3.12 H new ATOM 0 HG3 PRO A 120 -7.832 -9.402 -14.626 1.00 3.12 H new ATOM 0 HD2 PRO A 120 -8.513 -9.619 -11.999 1.00 1.42 H new ATOM 0 HD3 PRO A 120 -6.893 -9.168 -12.490 1.00 1.42 H new ATOM 1475 N ALA A 121 -10.121 -4.789 -13.294 1.00 62.15 N ATOM 1476 CA ALA A 121 -11.459 -4.209 -13.273 1.00 65.53 C ATOM 1477 C ALA A 121 -12.022 -4.080 -14.684 1.00 74.11 C ATOM 1478 O ALA A 121 -13.230 -3.933 -14.868 1.00 72.25 O ATOM 1479 CB ALA A 121 -11.435 -2.852 -12.587 1.00 30.44 C ATOM 0 H ALA A 121 -9.383 -4.139 -13.564 1.00 62.15 H new ATOM 0 HA ALA A 121 -12.110 -4.877 -12.709 1.00 65.53 H new ATOM 0 HB1 ALA A 121 -12.440 -2.431 -12.579 1.00 30.44 H new ATOM 0 HB2 ALA A 121 -11.082 -2.968 -11.562 1.00 30.44 H new ATOM 0 HB3 ALA A 121 -10.766 -2.183 -13.128 1.00 30.44 H new