USER MOD reduce.3.24.130724 H: found=0, std=0, add=616, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 486 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 230 THR OG1 : rot 180:sc= 0.161 USER MOD Set 1.2: A 233 GLN : amide:sc= -0.0843 K(o=0.077,f=1.2) USER MOD Set 2.1: A 222 ASN : amide:sc= -0.762 X(o=-0.57,f=-0.24) USER MOD Set 2.2: A 241 ASN : amide:sc= 0.197 K(o=-0.57,f=-4.4) USER MOD Single : A 158 HIS : no HD1:sc= -4.13! C(o=-4.1!,f=-5!) USER MOD Single : A 175 TYR OH : rot 180:sc= 0.068 USER MOD Single : A 180 THR OG1 : rot 180:sc= 0 USER MOD Single : A 181 SER OG : rot 87:sc= 0.54 USER MOD Single : A 191 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 192 GLN : amide:sc= -1.51 K(o=-1.5,f=-0.36) USER MOD Single : A 198 SER OG : rot 180:sc= 0 USER MOD Single : A 208 SER OG : rot 81:sc= 1.23 USER MOD Single : A 209 THR OG1 : rot 160:sc= -0.523 USER MOD Single : A 215 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 229 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 235 THR OG1 : rot 71:sc= 1.24 USER MOD Single : A 237 MET CE :methyl 151:sc= 0 (180deg=-0.802) USER MOD Single : A 238 MET CE :methyl -128:sc= -0.63 (180deg=-2.37) USER MOD Single : A 242 SER OG : rot 70:sc= 1.24 USER MOD Single : A 243 SER OG : rot 180:sc= 0 USER MOD Single : A 244 ASN : amide:sc= -0.249! C(o=-0.25!,f=-4.6!) USER MOD Single : A 248 THR OG1 : rot 180:sc= -1.5 USER MOD Single : A 250 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 28 N HIS A 158 -9.815 -7.188 -3.405 1.00 42.21 N ATOM 29 CA HIS A 158 -8.656 -6.541 -3.942 1.00 31.44 C ATOM 30 C HIS A 158 -9.098 -5.544 -4.972 1.00 14.32 C ATOM 31 O HIS A 158 -9.994 -5.840 -5.771 1.00 61.24 O ATOM 32 CB HIS A 158 -7.750 -7.566 -4.635 1.00 50.43 C ATOM 33 CG HIS A 158 -6.965 -8.470 -3.745 1.00 30.10 C ATOM 34 ND1 HIS A 158 -7.470 -9.122 -2.647 1.00 62.34 N ATOM 35 CD2 HIS A 158 -5.668 -8.795 -3.789 1.00 34.22 C ATOM 36 CE1 HIS A 158 -6.494 -9.793 -2.066 1.00 73.13 C ATOM 37 NE2 HIS A 158 -5.406 -9.619 -2.748 1.00 1.03 N ATOM 0 HA HIS A 158 -8.111 -6.057 -3.131 1.00 31.44 H new ATOM 0 HB2 HIS A 158 -8.369 -8.182 -5.287 1.00 50.43 H new ATOM 0 HB3 HIS A 158 -7.052 -7.027 -5.275 1.00 50.43 H new ATOM 0 HD2 HIS A 158 -4.955 -8.458 -4.527 1.00 34.22 H new ATOM 0 HE1 HIS A 158 -6.586 -10.389 -1.170 1.00 73.13 H new ATOM 0 HE2 HIS A 158 -4.500 -10.035 -2.535 1.00 1.03 H new ATOM 46 N ARG A 159 -8.523 -4.371 -4.950 1.00 4.33 N ATOM 47 CA ARG A 159 -8.797 -3.399 -5.987 1.00 63.02 C ATOM 48 C ARG A 159 -7.490 -2.808 -6.479 1.00 23.41 C ATOM 49 O ARG A 159 -6.560 -2.615 -5.694 1.00 72.33 O ATOM 50 CB ARG A 159 -9.747 -2.303 -5.493 1.00 24.52 C ATOM 51 CG ARG A 159 -10.130 -1.286 -6.562 1.00 61.51 C ATOM 52 CD ARG A 159 -11.118 -0.258 -6.039 1.00 23.02 C ATOM 53 NE ARG A 159 -12.382 -0.867 -5.583 1.00 71.25 N ATOM 54 CZ ARG A 159 -13.472 -0.188 -5.186 1.00 31.32 C ATOM 55 NH1 ARG A 159 -13.524 1.136 -5.285 1.00 53.24 N ATOM 56 NH2 ARG A 159 -14.525 -0.846 -4.740 1.00 61.45 N ATOM 0 H ARG A 159 -7.866 -4.062 -4.233 1.00 4.33 H new ATOM 0 HA ARG A 159 -9.297 -3.902 -6.815 1.00 63.02 H new ATOM 0 HB2 ARG A 159 -10.654 -2.769 -5.108 1.00 24.52 H new ATOM 0 HB3 ARG A 159 -9.279 -1.780 -4.659 1.00 24.52 H new ATOM 0 HG2 ARG A 159 -9.233 -0.779 -6.918 1.00 61.51 H new ATOM 0 HG3 ARG A 159 -10.564 -1.804 -7.417 1.00 61.51 H new ATOM 0 HD2 ARG A 159 -10.664 0.289 -5.213 1.00 23.02 H new ATOM 0 HD3 ARG A 159 -11.331 0.468 -6.824 1.00 23.02 H new ATOM 0 HE ARG A 159 -12.433 -1.886 -5.568 1.00 71.25 H new ATOM 0 HH11 ARG A 159 -12.730 1.650 -5.666 1.00 53.24 H new ATOM 0 HH12 ARG A 159 -14.358 1.638 -4.980 1.00 53.24 H new ATOM 0 HH21 ARG A 159 -14.509 -1.865 -4.698 1.00 61.45 H new ATOM 0 HH22 ARG A 159 -15.355 -0.336 -4.437 1.00 61.45 H new ATOM 68 N ARG A 160 -7.415 -2.554 -7.764 1.00 65.14 N ATOM 69 CA ARG A 160 -6.222 -2.000 -8.376 1.00 35.22 C ATOM 70 C ARG A 160 -6.473 -0.560 -8.726 1.00 32.04 C ATOM 71 O ARG A 160 -7.355 -0.256 -9.524 1.00 42.30 O ATOM 72 CB ARG A 160 -5.803 -2.740 -9.670 1.00 44.13 C ATOM 73 CG ARG A 160 -5.381 -4.208 -9.541 1.00 2.02 C ATOM 74 CD ARG A 160 -6.521 -5.123 -9.147 1.00 71.24 C ATOM 75 NE ARG A 160 -7.623 -5.100 -10.114 1.00 15.31 N ATOM 76 CZ ARG A 160 -8.739 -5.831 -10.007 1.00 12.34 C ATOM 77 NH1 ARG A 160 -8.867 -6.709 -9.010 1.00 22.40 N ATOM 78 NH2 ARG A 160 -9.706 -5.704 -10.908 1.00 1.32 N ATOM 0 H ARG A 160 -8.178 -2.724 -8.419 1.00 65.14 H new ATOM 0 HA ARG A 160 -5.416 -2.110 -7.651 1.00 35.22 H new ATOM 0 HB2 ARG A 160 -6.636 -2.690 -10.371 1.00 44.13 H new ATOM 0 HB3 ARG A 160 -4.976 -2.190 -10.119 1.00 44.13 H new ATOM 0 HG2 ARG A 160 -4.965 -4.545 -10.491 1.00 2.02 H new ATOM 0 HG3 ARG A 160 -4.587 -4.287 -8.799 1.00 2.02 H new ATOM 0 HD2 ARG A 160 -6.147 -6.143 -9.052 1.00 71.24 H new ATOM 0 HD3 ARG A 160 -6.896 -4.828 -8.167 1.00 71.24 H new ATOM 0 HE ARG A 160 -7.533 -4.485 -10.923 1.00 15.31 H new ATOM 0 HH11 ARG A 160 -8.115 -6.822 -8.331 1.00 22.40 H new ATOM 0 HH12 ARG A 160 -9.717 -7.267 -8.927 1.00 22.40 H new ATOM 0 HH21 ARG A 160 -9.599 -5.049 -11.682 1.00 1.32 H new ATOM 0 HH22 ARG A 160 -10.556 -6.262 -10.826 1.00 1.32 H new ATOM 90 N VAL A 161 -5.742 0.313 -8.130 1.00 30.30 N ATOM 91 CA VAL A 161 -5.867 1.725 -8.410 1.00 63.11 C ATOM 92 C VAL A 161 -4.560 2.336 -8.852 1.00 2.00 C ATOM 93 O VAL A 161 -3.497 1.991 -8.328 1.00 0.04 O ATOM 94 CB VAL A 161 -6.412 2.515 -7.197 1.00 12.13 C ATOM 95 CG1 VAL A 161 -7.862 2.199 -6.972 1.00 75.44 C ATOM 96 CG2 VAL A 161 -5.618 2.188 -5.935 1.00 41.33 C ATOM 0 H VAL A 161 -5.035 0.083 -7.431 1.00 30.30 H new ATOM 0 HA VAL A 161 -6.584 1.799 -9.228 1.00 63.11 H new ATOM 0 HB VAL A 161 -6.306 3.578 -7.416 1.00 12.13 H new ATOM 0 HG11 VAL A 161 -8.229 2.764 -6.115 1.00 75.44 H new ATOM 0 HG12 VAL A 161 -8.435 2.471 -7.858 1.00 75.44 H new ATOM 0 HG13 VAL A 161 -7.976 1.132 -6.780 1.00 75.44 H new ATOM 0 HG21 VAL A 161 -6.019 2.755 -5.095 1.00 41.33 H new ATOM 0 HG22 VAL A 161 -5.695 1.122 -5.723 1.00 41.33 H new ATOM 0 HG23 VAL A 161 -4.571 2.453 -6.085 1.00 41.33 H new ATOM 102 N ARG A 162 -4.629 3.198 -9.852 1.00 15.41 N ATOM 103 CA ARG A 162 -3.476 3.976 -10.234 1.00 50.33 C ATOM 104 C ARG A 162 -3.512 5.292 -9.502 1.00 14.03 C ATOM 105 O ARG A 162 -4.378 6.143 -9.754 1.00 43.31 O ATOM 106 CB ARG A 162 -3.388 4.238 -11.747 1.00 4.34 C ATOM 107 CG ARG A 162 -3.115 3.035 -12.600 1.00 62.44 C ATOM 108 CD ARG A 162 -2.967 3.420 -14.066 1.00 13.24 C ATOM 109 NE ARG A 162 -2.619 2.268 -14.897 1.00 25.43 N ATOM 110 CZ ARG A 162 -1.789 2.285 -15.958 1.00 12.10 C ATOM 111 NH1 ARG A 162 -1.205 3.414 -16.353 1.00 30.10 N ATOM 112 NH2 ARG A 162 -1.553 1.167 -16.622 1.00 33.24 N ATOM 0 H ARG A 162 -5.467 3.372 -10.407 1.00 15.41 H new ATOM 0 HA ARG A 162 -2.594 3.395 -9.966 1.00 50.33 H new ATOM 0 HB2 ARG A 162 -4.325 4.688 -12.074 1.00 4.34 H new ATOM 0 HB3 ARG A 162 -2.603 4.973 -11.925 1.00 4.34 H new ATOM 0 HG2 ARG A 162 -2.205 2.542 -12.257 1.00 62.44 H new ATOM 0 HG3 ARG A 162 -3.927 2.317 -12.490 1.00 62.44 H new ATOM 0 HD2 ARG A 162 -3.899 3.857 -14.423 1.00 13.24 H new ATOM 0 HD3 ARG A 162 -2.197 4.185 -14.165 1.00 13.24 H new ATOM 0 HE ARG A 162 -3.042 1.373 -14.652 1.00 25.43 H new ATOM 0 HH11 ARG A 162 -1.383 4.283 -15.850 1.00 30.10 H new ATOM 0 HH12 ARG A 162 -0.579 3.410 -17.158 1.00 30.10 H new ATOM 0 HH21 ARG A 162 -1.998 0.297 -16.330 1.00 33.24 H new ATOM 0 HH22 ARG A 162 -0.925 1.174 -17.426 1.00 33.24 H new ATOM 124 N LEU A 163 -2.601 5.454 -8.616 1.00 2.50 N ATOM 125 CA LEU A 163 -2.474 6.639 -7.844 1.00 4.44 C ATOM 126 C LEU A 163 -1.507 7.527 -8.551 1.00 22.45 C ATOM 127 O LEU A 163 -0.546 7.031 -9.128 1.00 4.42 O ATOM 128 CB LEU A 163 -1.962 6.316 -6.447 1.00 42.23 C ATOM 129 CG LEU A 163 -2.709 5.196 -5.728 1.00 41.44 C ATOM 130 CD1 LEU A 163 -2.181 5.006 -4.349 1.00 53.32 C ATOM 131 CD2 LEU A 163 -4.208 5.439 -5.705 1.00 22.44 C ATOM 0 H LEU A 163 -1.900 4.745 -8.399 1.00 2.50 H new ATOM 0 HA LEU A 163 -3.443 7.127 -7.736 1.00 4.44 H new ATOM 0 HB2 LEU A 163 -0.909 6.043 -6.517 1.00 42.23 H new ATOM 0 HB3 LEU A 163 -2.018 7.219 -5.838 1.00 42.23 H new ATOM 0 HG LEU A 163 -2.538 4.279 -6.291 1.00 41.44 H new ATOM 0 HD11 LEU A 163 -2.729 4.203 -3.857 1.00 53.32 H new ATOM 0 HD12 LEU A 163 -1.123 4.747 -4.397 1.00 53.32 H new ATOM 0 HD13 LEU A 163 -2.303 5.929 -3.782 1.00 53.32 H new ATOM 0 HD21 LEU A 163 -4.702 4.619 -5.184 1.00 22.44 H new ATOM 0 HD22 LEU A 163 -4.417 6.375 -5.188 1.00 22.44 H new ATOM 0 HD23 LEU A 163 -4.583 5.498 -6.727 1.00 22.44 H new ATOM 139 N LEU A 164 -1.801 8.797 -8.580 1.00 35.14 N ATOM 140 CA LEU A 164 -0.963 9.795 -9.215 1.00 1.33 C ATOM 141 C LEU A 164 -1.157 9.679 -10.719 1.00 15.41 C ATOM 142 O LEU A 164 -0.428 8.981 -11.421 1.00 33.24 O ATOM 143 CB LEU A 164 0.539 9.669 -8.752 1.00 1.00 C ATOM 144 CG LEU A 164 1.528 10.831 -9.025 1.00 12.31 C ATOM 145 CD1 LEU A 164 1.832 11.001 -10.485 1.00 2.23 C ATOM 146 CD2 LEU A 164 1.024 12.126 -8.421 1.00 73.51 C ATOM 0 H LEU A 164 -2.645 9.182 -8.157 1.00 35.14 H new ATOM 0 HA LEU A 164 -1.257 10.799 -8.909 1.00 1.33 H new ATOM 0 HB2 LEU A 164 0.534 9.492 -7.677 1.00 1.00 H new ATOM 0 HB3 LEU A 164 0.950 8.775 -9.221 1.00 1.00 H new ATOM 0 HG LEU A 164 2.466 10.564 -8.539 1.00 12.31 H new ATOM 0 HD11 LEU A 164 2.529 11.828 -10.618 1.00 2.23 H new ATOM 0 HD12 LEU A 164 2.278 10.085 -10.873 1.00 2.23 H new ATOM 0 HD13 LEU A 164 0.910 11.213 -11.026 1.00 2.23 H new ATOM 0 HD21 LEU A 164 1.736 12.925 -8.627 1.00 73.51 H new ATOM 0 HD22 LEU A 164 0.058 12.380 -8.858 1.00 73.51 H new ATOM 0 HD23 LEU A 164 0.915 12.006 -7.343 1.00 73.51 H new ATOM 260 N LEU A 172 1.239 11.050 -2.573 1.00 54.51 N ATOM 261 CA LEU A 172 0.375 10.001 -3.055 1.00 34.45 C ATOM 262 C LEU A 172 -0.849 9.880 -2.192 1.00 35.11 C ATOM 263 O LEU A 172 -1.901 9.441 -2.647 1.00 44.45 O ATOM 264 CB LEU A 172 1.093 8.653 -3.142 1.00 41.11 C ATOM 265 CG LEU A 172 2.244 8.511 -4.160 1.00 3.23 C ATOM 266 CD1 LEU A 172 1.751 8.793 -5.561 1.00 60.12 C ATOM 267 CD2 LEU A 172 3.441 9.391 -3.815 1.00 21.50 C ATOM 0 HA LEU A 172 0.074 10.279 -4.065 1.00 34.45 H new ATOM 0 HB2 LEU A 172 1.491 8.422 -2.154 1.00 41.11 H new ATOM 0 HB3 LEU A 172 0.348 7.892 -3.372 1.00 41.11 H new ATOM 0 HG LEU A 172 2.591 7.479 -4.111 1.00 3.23 H new ATOM 0 HD11 LEU A 172 2.576 8.688 -6.265 1.00 60.12 H new ATOM 0 HD12 LEU A 172 0.962 8.086 -5.818 1.00 60.12 H new ATOM 0 HD13 LEU A 172 1.358 9.809 -5.611 1.00 60.12 H new ATOM 0 HD21 LEU A 172 4.222 9.253 -4.563 1.00 21.50 H new ATOM 0 HD22 LEU A 172 3.132 10.436 -3.802 1.00 21.50 H new ATOM 0 HD23 LEU A 172 3.826 9.114 -2.833 1.00 21.50 H new ATOM 275 N GLY A 173 -0.717 10.258 -0.950 1.00 52.33 N ATOM 276 CA GLY A 173 -1.855 10.291 -0.100 1.00 43.32 C ATOM 277 C GLY A 173 -1.867 9.233 0.944 1.00 21.01 C ATOM 278 O GLY A 173 -2.881 9.042 1.587 1.00 64.02 O ATOM 0 H GLY A 173 0.161 10.543 -0.516 1.00 52.33 H new ATOM 0 HA2 GLY A 173 -1.903 11.266 0.386 1.00 43.32 H new ATOM 0 HA3 GLY A 173 -2.753 10.194 -0.710 1.00 43.32 H new ATOM 282 N PHE A 174 -0.749 8.572 1.173 1.00 61.24 N ATOM 283 CA PHE A 174 -0.729 7.500 2.126 1.00 73.25 C ATOM 284 C PHE A 174 0.700 7.186 2.530 1.00 72.10 C ATOM 285 O PHE A 174 1.642 7.443 1.778 1.00 65.33 O ATOM 286 CB PHE A 174 -1.421 6.226 1.536 1.00 41.22 C ATOM 287 CG PHE A 174 -0.680 5.580 0.369 1.00 52.33 C ATOM 288 CD1 PHE A 174 -0.680 6.155 -0.891 1.00 4.32 C ATOM 289 CD2 PHE A 174 0.044 4.418 0.559 1.00 62.41 C ATOM 290 CE1 PHE A 174 0.024 5.581 -1.932 1.00 51.00 C ATOM 291 CE2 PHE A 174 0.755 3.846 -0.485 1.00 34.33 C ATOM 292 CZ PHE A 174 0.742 4.433 -1.731 1.00 52.12 C ATOM 0 H PHE A 174 0.142 8.761 0.715 1.00 61.24 H new ATOM 0 HA PHE A 174 -1.283 7.812 3.011 1.00 73.25 H new ATOM 0 HB2 PHE A 174 -1.532 5.489 2.331 1.00 41.22 H new ATOM 0 HB3 PHE A 174 -2.425 6.494 1.207 1.00 41.22 H new ATOM 0 HD1 PHE A 174 -1.238 7.064 -1.062 1.00 4.32 H new ATOM 0 HD2 PHE A 174 0.056 3.950 1.532 1.00 62.41 H new ATOM 0 HE1 PHE A 174 0.008 6.040 -2.909 1.00 51.00 H new ATOM 0 HE2 PHE A 174 1.319 2.940 -0.321 1.00 34.33 H new ATOM 0 HZ PHE A 174 1.296 3.990 -2.545 1.00 52.12 H new ATOM 302 N TYR A 175 0.840 6.657 3.705 1.00 12.31 N ATOM 303 CA TYR A 175 2.096 6.184 4.225 1.00 14.34 C ATOM 304 C TYR A 175 1.992 4.717 4.413 1.00 73.24 C ATOM 305 O TYR A 175 0.932 4.213 4.801 1.00 4.34 O ATOM 306 CB TYR A 175 2.420 6.789 5.582 1.00 33.02 C ATOM 307 CG TYR A 175 2.807 8.237 5.607 1.00 71.14 C ATOM 308 CD1 TYR A 175 1.857 9.240 5.589 1.00 51.00 C ATOM 309 CD2 TYR A 175 4.141 8.596 5.719 1.00 71.11 C ATOM 310 CE1 TYR A 175 2.235 10.563 5.676 1.00 60.44 C ATOM 311 CE2 TYR A 175 4.521 9.912 5.792 1.00 4.24 C ATOM 312 CZ TYR A 175 3.564 10.891 5.775 1.00 60.11 C ATOM 313 OH TYR A 175 3.927 12.206 5.880 1.00 32.31 O ATOM 0 H TYR A 175 0.062 6.536 4.353 1.00 12.31 H new ATOM 0 HA TYR A 175 2.878 6.466 3.520 1.00 14.34 H new ATOM 0 HB2 TYR A 175 1.551 6.660 6.227 1.00 33.02 H new ATOM 0 HB3 TYR A 175 3.233 6.213 6.024 1.00 33.02 H new ATOM 0 HD1 TYR A 175 0.811 8.986 5.506 1.00 51.00 H new ATOM 0 HD2 TYR A 175 4.896 7.824 5.749 1.00 71.11 H new ATOM 0 HE1 TYR A 175 1.486 11.341 5.666 1.00 60.44 H new ATOM 0 HE2 TYR A 175 5.566 10.174 5.862 1.00 4.24 H new ATOM 0 HH TYR A 175 4.903 12.272 5.943 1.00 32.31 H new ATOM 323 N ILE A 176 3.051 4.032 4.189 1.00 70.14 N ATOM 324 CA ILE A 176 3.046 2.617 4.353 1.00 63.41 C ATOM 325 C ILE A 176 3.886 2.217 5.552 1.00 13.22 C ATOM 326 O ILE A 176 4.592 3.034 6.133 1.00 53.31 O ATOM 327 CB ILE A 176 3.550 1.887 3.095 1.00 22.34 C ATOM 328 CG1 ILE A 176 4.994 2.286 2.766 1.00 55.33 C ATOM 329 CG2 ILE A 176 2.620 2.146 1.920 1.00 43.21 C ATOM 330 CD1 ILE A 176 5.579 1.566 1.590 1.00 54.21 C ATOM 0 H ILE A 176 3.942 4.427 3.889 1.00 70.14 H new ATOM 0 HA ILE A 176 2.011 2.318 4.520 1.00 63.41 H new ATOM 0 HB ILE A 176 3.547 0.816 3.296 1.00 22.34 H new ATOM 0 HG12 ILE A 176 5.028 3.358 2.574 1.00 55.33 H new ATOM 0 HG13 ILE A 176 5.619 2.099 3.639 1.00 55.33 H new ATOM 0 HG21 ILE A 176 2.992 1.622 1.039 1.00 43.21 H new ATOM 0 HG22 ILE A 176 1.620 1.786 2.161 1.00 43.21 H new ATOM 0 HG23 ILE A 176 2.581 3.216 1.716 1.00 43.21 H new ATOM 0 HD11 ILE A 176 6.601 1.907 1.426 1.00 54.21 H new ATOM 0 HD12 ILE A 176 5.581 0.493 1.784 1.00 54.21 H new ATOM 0 HD13 ILE A 176 4.981 1.773 0.702 1.00 54.21 H new ATOM 337 N ARG A 177 3.773 0.989 5.924 1.00 34.55 N ATOM 338 CA ARG A 177 4.520 0.407 7.021 1.00 74.42 C ATOM 339 C ARG A 177 4.650 -1.068 6.797 1.00 14.11 C ATOM 340 O ARG A 177 3.806 -1.664 6.132 1.00 4.42 O ATOM 341 CB ARG A 177 3.816 0.617 8.364 1.00 62.24 C ATOM 342 CG ARG A 177 2.359 0.180 8.358 1.00 74.14 C ATOM 343 CD ARG A 177 1.862 -0.192 9.744 1.00 61.32 C ATOM 344 NE ARG A 177 2.032 0.873 10.738 1.00 33.34 N ATOM 345 CZ ARG A 177 1.661 0.756 12.018 1.00 71.33 C ATOM 346 NH1 ARG A 177 1.063 -0.353 12.442 1.00 64.31 N ATOM 347 NH2 ARG A 177 1.890 1.747 12.869 1.00 61.42 N ATOM 0 H ARG A 177 3.142 0.329 5.469 1.00 34.55 H new ATOM 0 HA ARG A 177 5.494 0.896 7.053 1.00 74.42 H new ATOM 0 HB2 ARG A 177 4.350 0.063 9.136 1.00 62.24 H new ATOM 0 HB3 ARG A 177 3.870 1.672 8.633 1.00 62.24 H new ATOM 0 HG2 ARG A 177 1.743 0.985 7.957 1.00 74.14 H new ATOM 0 HG3 ARG A 177 2.241 -0.674 7.691 1.00 74.14 H new ATOM 0 HD2 ARG A 177 0.806 -0.454 9.683 1.00 61.32 H new ATOM 0 HD3 ARG A 177 2.392 -1.082 10.084 1.00 61.32 H new ATOM 0 HE ARG A 177 2.456 1.750 10.437 1.00 33.34 H new ATOM 0 HH11 ARG A 177 0.886 -1.118 11.791 1.00 64.31 H new ATOM 0 HH12 ARG A 177 0.781 -0.439 13.419 1.00 64.31 H new ATOM 0 HH21 ARG A 177 2.349 2.599 12.548 1.00 61.42 H new ATOM 0 HH22 ARG A 177 1.607 1.657 13.845 1.00 61.42 H new ATOM 359 N ASP A 178 5.673 -1.655 7.342 1.00 11.34 N ATOM 360 CA ASP A 178 5.860 -3.084 7.243 1.00 13.01 C ATOM 361 C ASP A 178 5.401 -3.737 8.534 1.00 71.20 C ATOM 362 O ASP A 178 5.571 -3.180 9.618 1.00 62.32 O ATOM 363 CB ASP A 178 7.334 -3.461 6.953 1.00 45.53 C ATOM 364 CG ASP A 178 8.297 -3.129 8.084 1.00 74.30 C ATOM 365 OD1 ASP A 178 8.515 -3.991 8.967 1.00 54.34 O ATOM 366 OD2 ASP A 178 8.866 -2.011 8.095 1.00 71.30 O ATOM 0 H ASP A 178 6.400 -1.168 7.865 1.00 11.34 H new ATOM 0 HA ASP A 178 5.265 -3.446 6.405 1.00 13.01 H new ATOM 0 HB2 ASP A 178 7.390 -4.530 6.745 1.00 45.53 H new ATOM 0 HB3 ASP A 178 7.659 -2.943 6.050 1.00 45.53 H new ATOM 371 N GLY A 179 4.788 -4.858 8.405 1.00 0.24 N ATOM 372 CA GLY A 179 4.335 -5.620 9.525 1.00 52.12 C ATOM 373 C GLY A 179 4.263 -7.064 9.136 1.00 51.42 C ATOM 374 O GLY A 179 4.889 -7.462 8.155 1.00 72.41 O ATOM 0 H GLY A 179 4.580 -5.285 7.502 1.00 0.24 H new ATOM 0 HA2 GLY A 179 5.014 -5.491 10.368 1.00 52.12 H new ATOM 0 HA3 GLY A 179 3.355 -5.268 9.848 1.00 52.12 H new ATOM 378 N THR A 180 3.517 -7.845 9.853 1.00 71.41 N ATOM 379 CA THR A 180 3.362 -9.226 9.515 1.00 42.32 C ATOM 380 C THR A 180 1.983 -9.542 9.010 1.00 23.11 C ATOM 381 O THR A 180 0.977 -9.221 9.646 1.00 45.24 O ATOM 382 CB THR A 180 3.734 -10.178 10.647 1.00 25.43 C ATOM 383 OG1 THR A 180 3.531 -9.570 11.942 1.00 61.23 O ATOM 384 CG2 THR A 180 5.131 -10.742 10.503 1.00 42.42 C ATOM 0 H THR A 180 3.002 -7.548 10.682 1.00 71.41 H new ATOM 0 HA THR A 180 4.074 -9.391 8.706 1.00 42.32 H new ATOM 0 HB THR A 180 3.054 -11.027 10.573 1.00 25.43 H new ATOM 0 HG1 THR A 180 3.777 -10.207 12.645 1.00 61.23 H new ATOM 0 HG21 THR A 180 5.340 -11.412 11.337 1.00 42.42 H new ATOM 0 HG22 THR A 180 5.206 -11.294 9.566 1.00 42.42 H new ATOM 0 HG23 THR A 180 5.854 -9.927 10.503 1.00 42.42 H new ATOM 390 N SER A 181 1.943 -10.144 7.869 1.00 3.02 N ATOM 391 CA SER A 181 0.730 -10.566 7.279 1.00 24.22 C ATOM 392 C SER A 181 0.701 -12.077 7.313 1.00 4.33 C ATOM 393 O SER A 181 1.583 -12.724 6.746 1.00 24.21 O ATOM 394 CB SER A 181 0.657 -10.073 5.826 1.00 75.53 C ATOM 395 OG SER A 181 -0.604 -10.367 5.239 1.00 31.32 O ATOM 0 H SER A 181 2.772 -10.358 7.314 1.00 3.02 H new ATOM 0 HA SER A 181 -0.121 -10.157 7.823 1.00 24.22 H new ATOM 0 HB2 SER A 181 0.831 -8.997 5.796 1.00 75.53 H new ATOM 0 HB3 SER A 181 1.449 -10.541 5.242 1.00 75.53 H new ATOM 0 HG SER A 181 -1.234 -9.644 5.439 1.00 31.32 H new ATOM 517 N LYS A 191 2.931 -16.355 7.954 1.00 74.53 N ATOM 518 CA LYS A 191 3.165 -14.991 8.301 1.00 72.22 C ATOM 519 C LYS A 191 4.410 -14.531 7.580 1.00 33.34 C ATOM 520 O LYS A 191 5.436 -15.225 7.589 1.00 71.22 O ATOM 521 CB LYS A 191 3.349 -14.849 9.810 1.00 3.44 C ATOM 522 CG LYS A 191 3.140 -13.475 10.326 1.00 14.12 C ATOM 523 CD LYS A 191 3.341 -13.411 11.837 1.00 23.14 C ATOM 524 CE LYS A 191 2.314 -14.243 12.581 1.00 62.04 C ATOM 525 NZ LYS A 191 2.450 -14.090 14.040 1.00 44.33 N ATOM 0 HA LYS A 191 2.311 -14.380 8.008 1.00 72.22 H new ATOM 0 HB2 LYS A 191 2.655 -15.522 10.313 1.00 3.44 H new ATOM 0 HB3 LYS A 191 4.356 -15.174 10.073 1.00 3.44 H new ATOM 0 HG2 LYS A 191 3.833 -12.791 9.836 1.00 14.12 H new ATOM 0 HG3 LYS A 191 2.133 -13.140 10.077 1.00 14.12 H new ATOM 0 HD2 LYS A 191 4.342 -13.764 12.085 1.00 23.14 H new ATOM 0 HD3 LYS A 191 3.277 -12.374 12.168 1.00 23.14 H new ATOM 0 HE2 LYS A 191 1.311 -13.945 12.275 1.00 62.04 H new ATOM 0 HE3 LYS A 191 2.430 -15.293 12.312 1.00 62.04 H new ATOM 0 HZ1 LYS A 191 1.733 -14.672 14.518 1.00 44.33 H new ATOM 0 HZ2 LYS A 191 3.399 -14.398 14.334 1.00 44.33 H new ATOM 0 HZ3 LYS A 191 2.314 -13.092 14.299 1.00 44.33 H new ATOM 539 N GLN A 192 4.321 -13.406 6.962 1.00 41.24 N ATOM 540 CA GLN A 192 5.401 -12.858 6.189 1.00 54.53 C ATOM 541 C GLN A 192 5.373 -11.361 6.334 1.00 22.40 C ATOM 542 O GLN A 192 4.366 -10.822 6.817 1.00 62.12 O ATOM 543 CB GLN A 192 5.228 -13.243 4.708 1.00 33.21 C ATOM 544 CG GLN A 192 3.919 -12.769 4.079 1.00 42.44 C ATOM 545 CD GLN A 192 3.825 -13.076 2.593 1.00 21.03 C ATOM 546 OE1 GLN A 192 2.746 -13.310 2.064 1.00 73.31 O ATOM 547 NE2 GLN A 192 4.939 -13.045 1.904 1.00 13.11 N ATOM 0 H GLN A 192 3.484 -12.823 6.974 1.00 41.24 H new ATOM 0 HA GLN A 192 6.354 -13.251 6.542 1.00 54.53 H new ATOM 0 HB2 GLN A 192 6.061 -12.830 4.139 1.00 33.21 H new ATOM 0 HB3 GLN A 192 5.288 -14.328 4.618 1.00 33.21 H new ATOM 0 HG2 GLN A 192 3.083 -13.241 4.595 1.00 42.44 H new ATOM 0 HG3 GLN A 192 3.819 -11.694 4.229 1.00 42.44 H new ATOM 0 HE21 GLN A 192 5.823 -12.847 2.373 1.00 13.11 H new ATOM 0 HE22 GLN A 192 4.922 -13.219 0.899 1.00 13.11 H new ATOM 555 N PRO A 193 6.455 -10.649 5.972 1.00 13.43 N ATOM 556 CA PRO A 193 6.427 -9.201 5.981 1.00 43.33 C ATOM 557 C PRO A 193 5.352 -8.708 5.013 1.00 61.51 C ATOM 558 O PRO A 193 5.271 -9.161 3.856 1.00 5.34 O ATOM 559 CB PRO A 193 7.824 -8.800 5.475 1.00 34.10 C ATOM 560 CG PRO A 193 8.676 -9.995 5.725 1.00 53.23 C ATOM 561 CD PRO A 193 7.774 -11.181 5.570 1.00 71.11 C ATOM 0 HA PRO A 193 6.201 -8.780 6.960 1.00 43.33 H new ATOM 0 HB2 PRO A 193 7.803 -8.544 4.416 1.00 34.10 H new ATOM 0 HB3 PRO A 193 8.202 -7.927 6.007 1.00 34.10 H new ATOM 0 HG2 PRO A 193 9.504 -10.039 5.018 1.00 53.23 H new ATOM 0 HG3 PRO A 193 9.111 -9.963 6.724 1.00 53.23 H new ATOM 0 HD2 PRO A 193 7.765 -11.550 4.544 1.00 71.11 H new ATOM 0 HD3 PRO A 193 8.085 -12.011 6.205 1.00 71.11 H new ATOM 569 N GLY A 194 4.553 -7.812 5.481 1.00 44.51 N ATOM 570 CA GLY A 194 3.490 -7.278 4.707 1.00 21.23 C ATOM 571 C GLY A 194 3.423 -5.819 4.908 1.00 33.22 C ATOM 572 O GLY A 194 3.804 -5.332 5.961 1.00 22.15 O ATOM 0 H GLY A 194 4.622 -7.426 6.423 1.00 44.51 H new ATOM 0 HA2 GLY A 194 3.644 -7.504 3.652 1.00 21.23 H new ATOM 0 HA3 GLY A 194 2.546 -7.740 4.997 1.00 21.23 H new ATOM 576 N ILE A 195 2.969 -5.112 3.938 1.00 61.33 N ATOM 577 CA ILE A 195 2.895 -3.699 4.061 1.00 30.14 C ATOM 578 C ILE A 195 1.453 -3.263 4.200 1.00 74.13 C ATOM 579 O ILE A 195 0.561 -3.793 3.540 1.00 11.23 O ATOM 580 CB ILE A 195 3.632 -2.923 2.907 1.00 10.13 C ATOM 581 CG1 ILE A 195 5.147 -3.175 2.907 1.00 42.12 C ATOM 582 CG2 ILE A 195 3.369 -1.437 2.972 1.00 73.42 C ATOM 583 CD1 ILE A 195 5.591 -4.545 2.434 1.00 71.53 C ATOM 0 H ILE A 195 2.642 -5.488 3.048 1.00 61.33 H new ATOM 0 HA ILE A 195 3.435 -3.432 4.969 1.00 30.14 H new ATOM 0 HB ILE A 195 3.220 -3.314 1.977 1.00 10.13 H new ATOM 0 HG12 ILE A 195 5.621 -2.423 2.276 1.00 42.12 H new ATOM 0 HG13 ILE A 195 5.521 -3.023 3.919 1.00 42.12 H new ATOM 0 HG21 ILE A 195 3.896 -0.938 2.158 1.00 73.42 H new ATOM 0 HG22 ILE A 195 2.299 -1.252 2.878 1.00 73.42 H new ATOM 0 HG23 ILE A 195 3.722 -1.046 3.926 1.00 73.42 H new ATOM 0 HD11 ILE A 195 6.678 -4.610 2.476 1.00 71.53 H new ATOM 0 HD12 ILE A 195 5.157 -5.310 3.077 1.00 71.53 H new ATOM 0 HD13 ILE A 195 5.258 -4.701 1.408 1.00 71.53 H new ATOM 590 N PHE A 196 1.234 -2.338 5.074 1.00 5.51 N ATOM 591 CA PHE A 196 -0.091 -1.843 5.368 1.00 12.01 C ATOM 592 C PHE A 196 -0.022 -0.338 5.333 1.00 52.30 C ATOM 593 O PHE A 196 1.081 0.230 5.376 1.00 71.43 O ATOM 594 CB PHE A 196 -0.502 -2.277 6.793 1.00 12.12 C ATOM 595 CG PHE A 196 -0.417 -3.763 7.068 1.00 30.23 C ATOM 596 CD1 PHE A 196 0.802 -4.361 7.384 1.00 60.54 C ATOM 597 CD2 PHE A 196 -1.541 -4.551 7.019 1.00 15.24 C ATOM 598 CE1 PHE A 196 0.883 -5.716 7.636 1.00 1.00 C ATOM 599 CE2 PHE A 196 -1.463 -5.903 7.274 1.00 51.12 C ATOM 600 CZ PHE A 196 -0.250 -6.486 7.581 1.00 72.24 C ATOM 0 H PHE A 196 1.973 -1.892 5.617 1.00 5.51 H new ATOM 0 HA PHE A 196 -0.812 -2.231 4.649 1.00 12.01 H new ATOM 0 HB2 PHE A 196 0.131 -1.755 7.510 1.00 12.12 H new ATOM 0 HB3 PHE A 196 -1.526 -1.949 6.973 1.00 12.12 H new ATOM 0 HD1 PHE A 196 1.695 -3.756 7.432 1.00 60.54 H new ATOM 0 HD2 PHE A 196 -2.495 -4.107 6.778 1.00 15.24 H new ATOM 0 HE1 PHE A 196 1.835 -6.167 7.875 1.00 1.00 H new ATOM 0 HE2 PHE A 196 -2.356 -6.510 7.233 1.00 51.12 H new ATOM 0 HZ PHE A 196 -0.194 -7.546 7.777 1.00 72.24 H new ATOM 610 N ILE A 197 -1.149 0.308 5.247 1.00 51.44 N ATOM 611 CA ILE A 197 -1.175 1.747 5.305 1.00 3.52 C ATOM 612 C ILE A 197 -1.127 2.226 6.763 1.00 64.44 C ATOM 613 O ILE A 197 -1.872 1.767 7.614 1.00 25.24 O ATOM 614 CB ILE A 197 -2.380 2.343 4.531 1.00 21.52 C ATOM 615 CG1 ILE A 197 -2.253 1.951 3.048 1.00 23.50 C ATOM 616 CG2 ILE A 197 -2.455 3.865 4.694 1.00 3.14 C ATOM 617 CD1 ILE A 197 -3.297 2.548 2.144 1.00 60.13 C ATOM 0 H ILE A 197 -2.061 -0.134 5.137 1.00 51.44 H new ATOM 0 HA ILE A 197 -0.282 2.119 4.802 1.00 3.52 H new ATOM 0 HB ILE A 197 -3.306 1.938 4.940 1.00 21.52 H new ATOM 0 HG12 ILE A 197 -1.268 2.252 2.691 1.00 23.50 H new ATOM 0 HG13 ILE A 197 -2.302 0.865 2.969 1.00 23.50 H new ATOM 0 HG21 ILE A 197 -3.311 4.249 4.139 1.00 3.14 H new ATOM 0 HG22 ILE A 197 -2.567 4.113 5.750 1.00 3.14 H new ATOM 0 HG23 ILE A 197 -1.541 4.318 4.310 1.00 3.14 H new ATOM 0 HD11 ILE A 197 -3.125 2.215 1.120 1.00 60.13 H new ATOM 0 HD12 ILE A 197 -4.287 2.227 2.469 1.00 60.13 H new ATOM 0 HD13 ILE A 197 -3.236 3.635 2.187 1.00 60.13 H new ATOM 624 N SER A 198 -0.224 3.108 7.042 1.00 61.14 N ATOM 625 CA SER A 198 -0.050 3.602 8.381 1.00 3.31 C ATOM 626 C SER A 198 -0.703 4.981 8.601 1.00 1.41 C ATOM 627 O SER A 198 -1.043 5.336 9.734 1.00 10.32 O ATOM 628 CB SER A 198 1.448 3.551 8.767 1.00 43.33 C ATOM 629 OG SER A 198 1.743 4.189 9.984 1.00 33.05 O ATOM 0 H SER A 198 0.415 3.509 6.356 1.00 61.14 H new ATOM 0 HA SER A 198 -0.587 2.945 9.065 1.00 3.31 H new ATOM 0 HB2 SER A 198 1.762 2.509 8.828 1.00 43.33 H new ATOM 0 HB3 SER A 198 2.034 4.015 7.973 1.00 43.33 H new ATOM 0 HG SER A 198 2.703 4.118 10.166 1.00 33.05 H new ATOM 635 N ARG A 199 -0.910 5.736 7.530 1.00 15.12 N ATOM 636 CA ARG A 199 -1.521 7.062 7.630 1.00 72.52 C ATOM 637 C ARG A 199 -1.907 7.548 6.251 1.00 41.43 C ATOM 638 O ARG A 199 -1.302 7.134 5.270 1.00 12.20 O ATOM 639 CB ARG A 199 -0.546 8.068 8.326 1.00 24.02 C ATOM 640 CG ARG A 199 -1.114 9.478 8.546 1.00 61.23 C ATOM 641 CD ARG A 199 -0.207 10.330 9.431 1.00 35.02 C ATOM 642 NE ARG A 199 1.072 10.713 8.799 1.00 11.33 N ATOM 643 CZ ARG A 199 2.213 10.970 9.481 1.00 44.21 C ATOM 644 NH1 ARG A 199 2.286 10.699 10.787 1.00 43.01 N ATOM 645 NH2 ARG A 199 3.279 11.489 8.848 1.00 0.24 N ATOM 0 H ARG A 199 -0.665 5.456 6.580 1.00 15.12 H new ATOM 0 HA ARG A 199 -2.420 6.995 8.243 1.00 72.52 H new ATOM 0 HB2 ARG A 199 -0.252 7.656 9.292 1.00 24.02 H new ATOM 0 HB3 ARG A 199 0.360 8.148 7.725 1.00 24.02 H new ATOM 0 HG2 ARG A 199 -1.246 9.970 7.582 1.00 61.23 H new ATOM 0 HG3 ARG A 199 -2.101 9.404 9.003 1.00 61.23 H new ATOM 0 HD2 ARG A 199 -0.743 11.235 9.716 1.00 35.02 H new ATOM 0 HD3 ARG A 199 0.004 9.782 10.349 1.00 35.02 H new ATOM 0 HE ARG A 199 1.097 10.789 7.782 1.00 11.33 H new ATOM 0 HH11 ARG A 199 1.482 10.298 11.270 1.00 43.01 H new ATOM 0 HH12 ARG A 199 3.146 10.893 11.301 1.00 43.01 H new ATOM 0 HH21 ARG A 199 3.231 11.691 7.849 1.00 0.24 H new ATOM 0 HH22 ARG A 199 4.136 11.681 9.366 1.00 0.24 H new ATOM 657 N LEU A 200 -2.915 8.388 6.170 1.00 73.54 N ATOM 658 CA LEU A 200 -3.274 9.010 4.914 1.00 41.24 C ATOM 659 C LEU A 200 -2.742 10.391 4.895 1.00 51.43 C ATOM 660 O LEU A 200 -2.668 11.055 5.937 1.00 4.33 O ATOM 661 CB LEU A 200 -4.783 9.117 4.683 1.00 33.33 C ATOM 662 CG LEU A 200 -5.580 7.869 4.358 1.00 62.20 C ATOM 663 CD1 LEU A 200 -7.019 8.283 4.117 1.00 70.11 C ATOM 664 CD2 LEU A 200 -5.028 7.188 3.118 1.00 21.23 C ATOM 0 H LEU A 200 -3.502 8.657 6.960 1.00 73.54 H new ATOM 0 HA LEU A 200 -2.855 8.375 4.134 1.00 41.24 H new ATOM 0 HB2 LEU A 200 -5.220 9.559 5.579 1.00 33.33 H new ATOM 0 HB3 LEU A 200 -4.939 9.825 3.869 1.00 33.33 H new ATOM 0 HG LEU A 200 -5.515 7.164 5.187 1.00 62.20 H new ATOM 0 HD11 LEU A 200 -7.616 7.402 3.881 1.00 70.11 H new ATOM 0 HD12 LEU A 200 -7.415 8.760 5.013 1.00 70.11 H new ATOM 0 HD13 LEU A 200 -7.061 8.984 3.284 1.00 70.11 H new ATOM 0 HD21 LEU A 200 -5.614 6.295 2.902 1.00 21.23 H new ATOM 0 HD22 LEU A 200 -5.084 7.872 2.271 1.00 21.23 H new ATOM 0 HD23 LEU A 200 -3.989 6.908 3.289 1.00 21.23 H new ATOM 672 N VAL A 201 -2.366 10.832 3.749 1.00 71.53 N ATOM 673 CA VAL A 201 -1.941 12.179 3.601 1.00 32.41 C ATOM 674 C VAL A 201 -3.087 12.904 2.944 1.00 4.42 C ATOM 675 O VAL A 201 -3.436 12.592 1.791 1.00 50.04 O ATOM 676 CB VAL A 201 -0.703 12.317 2.692 1.00 24.44 C ATOM 677 CG1 VAL A 201 -0.127 13.702 2.812 1.00 65.31 C ATOM 678 CG2 VAL A 201 0.332 11.264 2.993 1.00 3.23 C ATOM 0 H VAL A 201 -2.344 10.277 2.894 1.00 71.53 H new ATOM 0 HA VAL A 201 -1.669 12.579 4.577 1.00 32.41 H new ATOM 0 HB VAL A 201 -1.020 12.160 1.661 1.00 24.44 H new ATOM 0 HG11 VAL A 201 0.747 13.790 2.166 1.00 65.31 H new ATOM 0 HG12 VAL A 201 -0.876 14.435 2.511 1.00 65.31 H new ATOM 0 HG13 VAL A 201 0.166 13.886 3.846 1.00 65.31 H new ATOM 0 HG21 VAL A 201 1.188 11.396 2.331 1.00 3.23 H new ATOM 0 HG22 VAL A 201 0.656 11.358 4.029 1.00 3.23 H new ATOM 0 HG23 VAL A 201 -0.099 10.275 2.836 1.00 3.23 H new ATOM 684 N PRO A 202 -3.707 13.853 3.638 1.00 33.33 N ATOM 685 CA PRO A 202 -4.843 14.573 3.103 1.00 24.44 C ATOM 686 C PRO A 202 -4.437 15.383 1.858 1.00 61.12 C ATOM 687 O PRO A 202 -3.374 16.030 1.840 1.00 13.42 O ATOM 688 CB PRO A 202 -5.265 15.512 4.242 1.00 34.32 C ATOM 689 CG PRO A 202 -4.613 14.965 5.461 1.00 63.13 C ATOM 690 CD PRO A 202 -3.361 14.299 4.997 1.00 21.23 C ATOM 0 HA PRO A 202 -5.647 13.908 2.788 1.00 24.44 H new ATOM 0 HB2 PRO A 202 -4.943 16.535 4.049 1.00 34.32 H new ATOM 0 HB3 PRO A 202 -6.349 15.535 4.352 1.00 34.32 H new ATOM 0 HG2 PRO A 202 -4.391 15.759 6.174 1.00 63.13 H new ATOM 0 HG3 PRO A 202 -5.267 14.255 5.968 1.00 63.13 H new ATOM 0 HD2 PRO A 202 -2.516 14.987 4.993 1.00 21.23 H new ATOM 0 HD3 PRO A 202 -3.087 13.462 5.639 1.00 21.23 H new ATOM 698 N GLY A 203 -5.254 15.331 0.833 1.00 30.44 N ATOM 699 CA GLY A 203 -4.944 16.021 -0.399 1.00 40.02 C ATOM 700 C GLY A 203 -4.258 15.118 -1.402 1.00 42.24 C ATOM 701 O GLY A 203 -4.122 15.464 -2.586 1.00 75.24 O ATOM 0 H GLY A 203 -6.137 14.820 0.826 1.00 30.44 H new ATOM 0 HA2 GLY A 203 -5.863 16.414 -0.835 1.00 40.02 H new ATOM 0 HA3 GLY A 203 -4.303 16.876 -0.184 1.00 40.02 H new ATOM 705 N GLY A 204 -3.819 13.962 -0.937 1.00 22.12 N ATOM 706 CA GLY A 204 -3.163 13.021 -1.801 1.00 33.02 C ATOM 707 C GLY A 204 -4.155 12.226 -2.617 1.00 54.33 C ATOM 708 O GLY A 204 -5.361 12.299 -2.380 1.00 64.41 O ATOM 0 H GLY A 204 -3.909 13.661 0.033 1.00 22.12 H new ATOM 0 HA2 GLY A 204 -2.485 13.552 -2.469 1.00 33.02 H new ATOM 0 HA3 GLY A 204 -2.555 12.341 -1.204 1.00 33.02 H new ATOM 712 N LEU A 205 -3.658 11.440 -3.541 1.00 21.14 N ATOM 713 CA LEU A 205 -4.475 10.685 -4.454 1.00 61.24 C ATOM 714 C LEU A 205 -5.265 9.595 -3.737 1.00 52.12 C ATOM 715 O LEU A 205 -6.452 9.389 -4.017 1.00 42.43 O ATOM 716 CB LEU A 205 -3.617 10.097 -5.581 1.00 4.45 C ATOM 717 CG LEU A 205 -2.934 11.090 -6.557 1.00 13.21 C ATOM 718 CD1 LEU A 205 -3.934 12.027 -7.200 1.00 14.54 C ATOM 719 CD2 LEU A 205 -1.785 11.858 -5.916 1.00 30.13 C ATOM 0 H LEU A 205 -2.656 11.306 -3.680 1.00 21.14 H new ATOM 0 HA LEU A 205 -5.201 11.368 -4.895 1.00 61.24 H new ATOM 0 HB2 LEU A 205 -2.839 9.485 -5.126 1.00 4.45 H new ATOM 0 HB3 LEU A 205 -4.246 9.428 -6.168 1.00 4.45 H new ATOM 0 HG LEU A 205 -2.496 10.480 -7.347 1.00 13.21 H new ATOM 0 HD11 LEU A 205 -3.414 12.706 -7.876 1.00 14.54 H new ATOM 0 HD12 LEU A 205 -4.667 11.447 -7.761 1.00 14.54 H new ATOM 0 HD13 LEU A 205 -4.442 12.604 -6.427 1.00 14.54 H new ATOM 0 HD21 LEU A 205 -1.347 12.536 -6.648 1.00 30.13 H new ATOM 0 HD22 LEU A 205 -2.159 12.432 -5.068 1.00 30.13 H new ATOM 0 HD23 LEU A 205 -1.025 11.156 -5.572 1.00 30.13 H new ATOM 727 N ALA A 206 -4.614 8.913 -2.805 1.00 52.13 N ATOM 728 CA ALA A 206 -5.274 7.885 -1.997 1.00 54.41 C ATOM 729 C ALA A 206 -6.430 8.494 -1.196 1.00 43.12 C ATOM 730 O ALA A 206 -7.503 7.895 -1.068 1.00 61.31 O ATOM 731 CB ALA A 206 -4.275 7.216 -1.071 1.00 40.31 C ATOM 0 H ALA A 206 -3.627 9.050 -2.586 1.00 52.13 H new ATOM 0 HA ALA A 206 -5.682 7.127 -2.666 1.00 54.41 H new ATOM 0 HB1 ALA A 206 -4.782 6.455 -0.478 1.00 40.31 H new ATOM 0 HB2 ALA A 206 -3.487 6.750 -1.662 1.00 40.31 H new ATOM 0 HB3 ALA A 206 -3.838 7.962 -0.407 1.00 40.31 H new ATOM 737 N GLU A 207 -6.202 9.696 -0.693 1.00 73.31 N ATOM 738 CA GLU A 207 -7.202 10.452 0.052 1.00 13.33 C ATOM 739 C GLU A 207 -8.338 10.869 -0.892 1.00 74.33 C ATOM 740 O GLU A 207 -9.517 10.779 -0.552 1.00 73.11 O ATOM 741 CB GLU A 207 -6.548 11.710 0.632 1.00 51.34 C ATOM 742 CG GLU A 207 -7.480 12.593 1.444 1.00 73.23 C ATOM 743 CD GLU A 207 -7.905 11.975 2.749 1.00 42.41 C ATOM 744 OE1 GLU A 207 -8.935 11.275 2.790 1.00 53.01 O ATOM 745 OE2 GLU A 207 -7.233 12.215 3.769 1.00 61.35 O ATOM 0 H GLU A 207 -5.310 10.181 -0.790 1.00 73.31 H new ATOM 0 HA GLU A 207 -7.603 9.834 0.856 1.00 13.33 H new ATOM 0 HB2 GLU A 207 -5.712 11.410 1.264 1.00 51.34 H new ATOM 0 HB3 GLU A 207 -6.134 12.298 -0.187 1.00 51.34 H new ATOM 0 HG2 GLU A 207 -6.985 13.543 1.645 1.00 73.23 H new ATOM 0 HG3 GLU A 207 -8.367 12.815 0.850 1.00 73.23 H new ATOM 752 N SER A 208 -7.955 11.302 -2.088 1.00 30.23 N ATOM 753 CA SER A 208 -8.891 11.784 -3.101 1.00 13.22 C ATOM 754 C SER A 208 -9.898 10.704 -3.514 1.00 72.13 C ATOM 755 O SER A 208 -11.094 10.971 -3.610 1.00 54.32 O ATOM 756 CB SER A 208 -8.130 12.319 -4.316 1.00 13.22 C ATOM 757 OG SER A 208 -7.251 13.375 -3.934 1.00 10.31 O ATOM 0 H SER A 208 -6.980 11.329 -2.385 1.00 30.23 H new ATOM 0 HA SER A 208 -9.464 12.600 -2.660 1.00 13.22 H new ATOM 0 HB2 SER A 208 -7.560 11.513 -4.778 1.00 13.22 H new ATOM 0 HB3 SER A 208 -8.836 12.679 -5.064 1.00 13.22 H new ATOM 0 HG SER A 208 -6.431 12.997 -3.554 1.00 10.31 H new ATOM 763 N THR A 209 -9.420 9.490 -3.747 1.00 43.21 N ATOM 764 CA THR A 209 -10.316 8.411 -4.099 1.00 60.42 C ATOM 765 C THR A 209 -11.042 7.917 -2.834 1.00 44.44 C ATOM 766 O THR A 209 -12.186 7.450 -2.891 1.00 50.45 O ATOM 767 CB THR A 209 -9.579 7.237 -4.828 1.00 13.21 C ATOM 768 OG1 THR A 209 -10.508 6.251 -5.232 1.00 41.31 O ATOM 769 CG2 THR A 209 -8.538 6.580 -3.938 1.00 65.00 C ATOM 0 H THR A 209 -8.434 9.235 -3.699 1.00 43.21 H new ATOM 0 HA THR A 209 -11.049 8.795 -4.809 1.00 60.42 H new ATOM 0 HB THR A 209 -9.078 7.668 -5.695 1.00 13.21 H new ATOM 0 HG1 THR A 209 -10.114 5.702 -5.942 1.00 41.31 H new ATOM 0 HG21 THR A 209 -8.051 5.771 -4.483 1.00 65.00 H new ATOM 0 HG22 THR A 209 -7.793 7.319 -3.643 1.00 65.00 H new ATOM 0 HG23 THR A 209 -9.022 6.178 -3.048 1.00 65.00 H new ATOM 775 N GLY A 210 -10.356 8.040 -1.690 1.00 31.43 N ATOM 776 CA GLY A 210 -10.915 7.674 -0.409 1.00 40.31 C ATOM 777 C GLY A 210 -11.176 6.200 -0.279 1.00 14.41 C ATOM 778 O GLY A 210 -11.907 5.772 0.604 1.00 32.22 O ATOM 0 H GLY A 210 -9.402 8.396 -1.640 1.00 31.43 H new ATOM 0 HA2 GLY A 210 -10.233 7.987 0.381 1.00 40.31 H new ATOM 0 HA3 GLY A 210 -11.848 8.217 -0.258 1.00 40.31 H new ATOM 782 N LEU A 211 -10.582 5.415 -1.147 1.00 63.41 N ATOM 783 CA LEU A 211 -10.822 4.002 -1.126 1.00 61.41 C ATOM 784 C LEU A 211 -9.696 3.274 -0.421 1.00 44.34 C ATOM 785 O LEU A 211 -9.748 2.064 -0.223 1.00 53.11 O ATOM 786 CB LEU A 211 -11.155 3.471 -2.548 1.00 55.00 C ATOM 787 CG LEU A 211 -10.056 3.292 -3.605 1.00 43.12 C ATOM 788 CD1 LEU A 211 -9.182 2.079 -3.316 1.00 32.30 C ATOM 789 CD2 LEU A 211 -10.707 3.160 -4.954 1.00 64.33 C ATOM 0 H LEU A 211 -9.935 5.733 -1.869 1.00 63.41 H new ATOM 0 HA LEU A 211 -11.712 3.793 -0.533 1.00 61.41 H new ATOM 0 HB2 LEU A 211 -11.637 2.501 -2.422 1.00 55.00 H new ATOM 0 HB3 LEU A 211 -11.900 4.144 -2.973 1.00 55.00 H new ATOM 0 HG LEU A 211 -9.403 4.164 -3.584 1.00 43.12 H new ATOM 0 HD11 LEU A 211 -8.418 1.989 -4.088 1.00 32.30 H new ATOM 0 HD12 LEU A 211 -8.704 2.198 -2.344 1.00 32.30 H new ATOM 0 HD13 LEU A 211 -9.798 1.180 -3.309 1.00 32.30 H new ATOM 0 HD21 LEU A 211 -9.940 3.032 -5.717 1.00 64.33 H new ATOM 0 HD22 LEU A 211 -11.368 2.294 -4.956 1.00 64.33 H new ATOM 0 HD23 LEU A 211 -11.286 4.059 -5.168 1.00 64.33 H new ATOM 797 N LEU A 212 -8.685 4.027 -0.024 1.00 35.13 N ATOM 798 CA LEU A 212 -7.606 3.471 0.743 1.00 1.30 C ATOM 799 C LEU A 212 -7.719 4.006 2.140 1.00 54.35 C ATOM 800 O LEU A 212 -7.948 5.211 2.344 1.00 60.33 O ATOM 801 CB LEU A 212 -6.195 3.831 0.185 1.00 72.25 C ATOM 802 CG LEU A 212 -5.797 3.328 -1.217 1.00 2.12 C ATOM 803 CD1 LEU A 212 -6.501 4.091 -2.313 1.00 50.32 C ATOM 804 CD2 LEU A 212 -4.283 3.370 -1.409 1.00 22.41 C ATOM 0 H LEU A 212 -8.597 5.023 -0.224 1.00 35.13 H new ATOM 0 HA LEU A 212 -7.693 2.385 0.699 1.00 1.30 H new ATOM 0 HB2 LEU A 212 -6.109 4.918 0.182 1.00 72.25 H new ATOM 0 HB3 LEU A 212 -5.455 3.455 0.892 1.00 72.25 H new ATOM 0 HG LEU A 212 -6.120 2.289 -1.287 1.00 2.12 H new ATOM 0 HD11 LEU A 212 -6.191 3.703 -3.283 1.00 50.32 H new ATOM 0 HD12 LEU A 212 -7.579 3.974 -2.203 1.00 50.32 H new ATOM 0 HD13 LEU A 212 -6.242 5.148 -2.245 1.00 50.32 H new ATOM 0 HD21 LEU A 212 -4.033 3.010 -2.407 1.00 22.41 H new ATOM 0 HD22 LEU A 212 -3.930 4.395 -1.294 1.00 22.41 H new ATOM 0 HD23 LEU A 212 -3.804 2.736 -0.663 1.00 22.41 H new ATOM 812 N ALA A 213 -7.605 3.141 3.075 1.00 42.23 N ATOM 813 CA ALA A 213 -7.651 3.466 4.451 1.00 35.53 C ATOM 814 C ALA A 213 -6.477 2.814 5.139 1.00 52.02 C ATOM 815 O ALA A 213 -5.822 1.951 4.564 1.00 63.53 O ATOM 816 CB ALA A 213 -8.960 2.994 5.050 1.00 52.21 C ATOM 0 H ALA A 213 -7.472 2.146 2.897 1.00 42.23 H new ATOM 0 HA ALA A 213 -7.592 4.546 4.586 1.00 35.53 H new ATOM 0 HB1 ALA A 213 -8.988 3.248 6.110 1.00 52.21 H new ATOM 0 HB2 ALA A 213 -9.791 3.480 4.538 1.00 52.21 H new ATOM 0 HB3 ALA A 213 -9.045 1.914 4.933 1.00 52.21 H new ATOM 822 N VAL A 214 -6.204 3.224 6.356 1.00 33.41 N ATOM 823 CA VAL A 214 -5.108 2.679 7.135 1.00 60.21 C ATOM 824 C VAL A 214 -5.211 1.148 7.321 1.00 1.30 C ATOM 825 O VAL A 214 -4.219 0.452 7.401 1.00 71.25 O ATOM 826 CB VAL A 214 -4.955 3.403 8.491 1.00 14.11 C ATOM 827 CG1 VAL A 214 -4.631 4.872 8.271 1.00 63.12 C ATOM 828 CG2 VAL A 214 -6.208 3.259 9.346 1.00 64.01 C ATOM 0 H VAL A 214 -6.736 3.948 6.839 1.00 33.41 H new ATOM 0 HA VAL A 214 -4.202 2.862 6.557 1.00 60.21 H new ATOM 0 HB VAL A 214 -4.131 2.934 9.028 1.00 14.11 H new ATOM 0 HG11 VAL A 214 -4.526 5.370 9.235 1.00 63.12 H new ATOM 0 HG12 VAL A 214 -3.698 4.959 7.714 1.00 63.12 H new ATOM 0 HG13 VAL A 214 -5.436 5.342 7.706 1.00 63.12 H new ATOM 0 HG21 VAL A 214 -6.065 3.781 10.292 1.00 64.01 H new ATOM 0 HG22 VAL A 214 -7.059 3.690 8.819 1.00 64.01 H new ATOM 0 HG23 VAL A 214 -6.398 2.203 9.539 1.00 64.01 H new ATOM 834 N ASN A 215 -6.415 0.652 7.363 1.00 45.31 N ATOM 835 CA ASN A 215 -6.660 -0.780 7.552 1.00 41.40 C ATOM 836 C ASN A 215 -6.333 -1.615 6.315 1.00 64.25 C ATOM 837 O ASN A 215 -6.267 -2.839 6.398 1.00 32.05 O ATOM 838 CB ASN A 215 -8.078 -1.091 8.067 1.00 52.01 C ATOM 839 CG ASN A 215 -8.315 -0.618 9.496 1.00 12.13 C ATOM 840 OD1 ASN A 215 -8.042 -1.346 10.450 1.00 51.31 O ATOM 841 ND2 ASN A 215 -8.844 0.569 9.657 1.00 4.30 N ATOM 0 H ASN A 215 -7.262 1.212 7.269 1.00 45.31 H new ATOM 0 HA ASN A 215 -5.962 -1.077 8.335 1.00 41.40 H new ATOM 0 HB2 ASN A 215 -8.808 -0.619 7.409 1.00 52.01 H new ATOM 0 HB3 ASN A 215 -8.249 -2.166 8.014 1.00 52.01 H new ATOM 0 HD21 ASN A 215 -9.042 0.916 10.595 1.00 4.30 H new ATOM 0 HD22 ASN A 215 -9.058 1.147 8.844 1.00 4.30 H new ATOM 847 N ASP A 216 -6.156 -0.970 5.182 1.00 15.04 N ATOM 848 CA ASP A 216 -5.868 -1.681 3.935 1.00 71.24 C ATOM 849 C ASP A 216 -4.450 -2.228 3.894 1.00 2.21 C ATOM 850 O ASP A 216 -3.481 -1.543 4.270 1.00 73.43 O ATOM 851 CB ASP A 216 -6.144 -0.813 2.705 1.00 70.14 C ATOM 852 CG ASP A 216 -7.609 -0.499 2.523 1.00 51.22 C ATOM 853 OD1 ASP A 216 -8.080 0.517 3.055 1.00 73.24 O ATOM 854 OD2 ASP A 216 -8.308 -1.265 1.846 1.00 32.14 O ATOM 0 H ASP A 216 -6.205 0.045 5.089 1.00 15.04 H new ATOM 0 HA ASP A 216 -6.550 -2.531 3.909 1.00 71.24 H new ATOM 0 HB2 ASP A 216 -5.586 0.119 2.792 1.00 70.14 H new ATOM 0 HB3 ASP A 216 -5.774 -1.324 1.816 1.00 70.14 H new ATOM 859 N GLU A 217 -4.346 -3.468 3.457 1.00 12.23 N ATOM 860 CA GLU A 217 -3.080 -4.177 3.333 1.00 33.35 C ATOM 861 C GLU A 217 -2.686 -4.240 1.870 1.00 10.50 C ATOM 862 O GLU A 217 -3.515 -4.568 1.027 1.00 14.53 O ATOM 863 CB GLU A 217 -3.230 -5.600 3.886 1.00 2.21 C ATOM 864 CG GLU A 217 -1.971 -6.454 3.814 1.00 60.52 C ATOM 865 CD GLU A 217 -2.228 -7.890 4.208 1.00 32.42 C ATOM 866 OE1 GLU A 217 -2.296 -8.203 5.413 1.00 32.35 O ATOM 867 OE2 GLU A 217 -2.383 -8.737 3.318 1.00 71.32 O ATOM 0 H GLU A 217 -5.152 -4.024 3.172 1.00 12.23 H new ATOM 0 HA GLU A 217 -2.310 -3.652 3.898 1.00 33.35 H new ATOM 0 HB2 GLU A 217 -3.550 -5.538 4.926 1.00 2.21 H new ATOM 0 HB3 GLU A 217 -4.025 -6.105 3.338 1.00 2.21 H new ATOM 0 HG2 GLU A 217 -1.572 -6.424 2.800 1.00 60.52 H new ATOM 0 HG3 GLU A 217 -1.210 -6.031 4.469 1.00 60.52 H new ATOM 874 N VAL A 218 -1.435 -3.951 1.564 1.00 45.15 N ATOM 875 CA VAL A 218 -1.005 -3.943 0.187 1.00 72.55 C ATOM 876 C VAL A 218 -0.634 -5.346 -0.289 1.00 72.33 C ATOM 877 O VAL A 218 0.038 -6.120 0.403 1.00 23.45 O ATOM 878 CB VAL A 218 0.142 -2.921 -0.103 1.00 41.33 C ATOM 879 CG1 VAL A 218 1.394 -3.281 0.609 1.00 43.53 C ATOM 880 CG2 VAL A 218 0.390 -2.763 -1.593 1.00 22.00 C ATOM 0 H VAL A 218 -0.710 -3.722 2.244 1.00 45.15 H new ATOM 0 HA VAL A 218 -1.863 -3.601 -0.391 1.00 72.55 H new ATOM 0 HB VAL A 218 -0.190 -1.957 0.282 1.00 41.33 H new ATOM 0 HG11 VAL A 218 2.166 -2.546 0.381 1.00 43.53 H new ATOM 0 HG12 VAL A 218 1.211 -3.294 1.683 1.00 43.53 H new ATOM 0 HG13 VAL A 218 1.725 -4.268 0.286 1.00 43.53 H new ATOM 0 HG21 VAL A 218 1.194 -2.045 -1.754 1.00 22.00 H new ATOM 0 HG22 VAL A 218 0.673 -3.726 -2.019 1.00 22.00 H new ATOM 0 HG23 VAL A 218 -0.519 -2.405 -2.077 1.00 22.00 H new ATOM 886 N ILE A 219 -1.102 -5.654 -1.449 1.00 30.11 N ATOM 887 CA ILE A 219 -0.894 -6.914 -2.076 1.00 44.13 C ATOM 888 C ILE A 219 0.231 -6.836 -3.099 1.00 73.01 C ATOM 889 O ILE A 219 1.198 -7.621 -3.048 1.00 51.41 O ATOM 890 CB ILE A 219 -2.215 -7.393 -2.753 1.00 33.24 C ATOM 891 CG1 ILE A 219 -3.287 -7.667 -1.683 1.00 5.13 C ATOM 892 CG2 ILE A 219 -1.990 -8.620 -3.629 1.00 31.51 C ATOM 893 CD1 ILE A 219 -2.866 -8.701 -0.694 1.00 51.10 C ATOM 0 H ILE A 219 -1.662 -5.011 -2.009 1.00 30.11 H new ATOM 0 HA ILE A 219 -0.602 -7.636 -1.313 1.00 44.13 H new ATOM 0 HB ILE A 219 -2.567 -6.595 -3.407 1.00 33.24 H new ATOM 0 HG12 ILE A 219 -3.514 -6.740 -1.157 1.00 5.13 H new ATOM 0 HG13 ILE A 219 -4.206 -7.991 -2.171 1.00 5.13 H new ATOM 0 HG21 ILE A 219 -2.934 -8.922 -4.082 1.00 31.51 H new ATOM 0 HG22 ILE A 219 -1.272 -8.381 -4.413 1.00 31.51 H new ATOM 0 HG23 ILE A 219 -1.603 -9.436 -3.019 1.00 31.51 H new ATOM 0 HD11 ILE A 219 -3.662 -8.852 0.036 1.00 51.10 H new ATOM 0 HD12 ILE A 219 -2.665 -9.639 -1.211 1.00 51.10 H new ATOM 0 HD13 ILE A 219 -1.963 -8.369 -0.182 1.00 51.10 H new ATOM 900 N GLU A 220 0.125 -5.891 -4.001 1.00 3.15 N ATOM 901 CA GLU A 220 1.072 -5.769 -5.083 1.00 72.42 C ATOM 902 C GLU A 220 1.077 -4.357 -5.643 1.00 3.24 C ATOM 903 O GLU A 220 0.060 -3.645 -5.574 1.00 71.30 O ATOM 904 CB GLU A 220 0.731 -6.803 -6.181 1.00 61.15 C ATOM 905 CG GLU A 220 -0.680 -6.700 -6.711 1.00 44.24 C ATOM 906 CD GLU A 220 -1.032 -7.801 -7.673 1.00 12.05 C ATOM 907 OE1 GLU A 220 -1.362 -8.917 -7.207 1.00 44.31 O ATOM 908 OE2 GLU A 220 -1.047 -7.564 -8.896 1.00 53.23 O ATOM 0 H GLU A 220 -0.615 -5.189 -4.007 1.00 3.15 H new ATOM 0 HA GLU A 220 2.074 -5.971 -4.706 1.00 72.42 H new ATOM 0 HB2 GLU A 220 1.428 -6.680 -7.010 1.00 61.15 H new ATOM 0 HB3 GLU A 220 0.885 -7.805 -5.781 1.00 61.15 H new ATOM 0 HG2 GLU A 220 -1.378 -6.720 -5.874 1.00 44.24 H new ATOM 0 HG3 GLU A 220 -0.806 -5.738 -7.208 1.00 44.24 H new ATOM 915 N VAL A 221 2.211 -3.953 -6.171 1.00 25.42 N ATOM 916 CA VAL A 221 2.367 -2.672 -6.805 1.00 40.00 C ATOM 917 C VAL A 221 2.803 -2.886 -8.261 1.00 41.52 C ATOM 918 O VAL A 221 3.767 -3.602 -8.533 1.00 32.54 O ATOM 919 CB VAL A 221 3.356 -1.722 -6.026 1.00 25.01 C ATOM 920 CG1 VAL A 221 4.690 -2.350 -5.831 1.00 74.14 C ATOM 921 CG2 VAL A 221 3.510 -0.386 -6.730 1.00 23.24 C ATOM 0 H VAL A 221 3.061 -4.517 -6.170 1.00 25.42 H new ATOM 0 HA VAL A 221 1.405 -2.159 -6.789 1.00 40.00 H new ATOM 0 HB VAL A 221 2.915 -1.550 -5.044 1.00 25.01 H new ATOM 0 HG11 VAL A 221 5.340 -1.662 -5.291 1.00 74.14 H new ATOM 0 HG12 VAL A 221 4.579 -3.270 -5.258 1.00 74.14 H new ATOM 0 HG13 VAL A 221 5.130 -2.578 -6.802 1.00 74.14 H new ATOM 0 HG21 VAL A 221 4.198 0.245 -6.167 1.00 23.24 H new ATOM 0 HG22 VAL A 221 3.904 -0.547 -7.734 1.00 23.24 H new ATOM 0 HG23 VAL A 221 2.539 0.105 -6.796 1.00 23.24 H new ATOM 927 N ASN A 222 2.030 -2.318 -9.186 1.00 41.21 N ATOM 928 CA ASN A 222 2.240 -2.422 -10.663 1.00 70.34 C ATOM 929 C ASN A 222 1.927 -3.837 -11.169 1.00 54.42 C ATOM 930 O ASN A 222 1.909 -4.109 -12.358 1.00 23.34 O ATOM 931 CB ASN A 222 3.671 -1.997 -11.063 1.00 51.50 C ATOM 932 CG ASN A 222 3.840 -1.814 -12.561 1.00 52.22 C ATOM 933 OD1 ASN A 222 4.192 -2.739 -13.292 1.00 0.32 O ATOM 934 ND2 ASN A 222 3.636 -0.603 -13.006 1.00 11.13 N ATOM 0 H ASN A 222 1.215 -1.755 -8.942 1.00 41.21 H new ATOM 0 HA ASN A 222 1.545 -1.732 -11.140 1.00 70.34 H new ATOM 0 HB2 ASN A 222 3.921 -1.064 -10.558 1.00 51.50 H new ATOM 0 HB3 ASN A 222 4.378 -2.749 -10.712 1.00 51.50 H new ATOM 0 HD21 ASN A 222 3.768 -0.394 -13.996 1.00 11.13 H new ATOM 0 HD22 ASN A 222 3.345 0.134 -12.364 1.00 11.13 H new ATOM 940 N GLY A 223 1.618 -4.704 -10.250 1.00 54.40 N ATOM 941 CA GLY A 223 1.386 -6.089 -10.570 1.00 24.02 C ATOM 942 C GLY A 223 2.345 -6.983 -9.828 1.00 0.31 C ATOM 943 O GLY A 223 2.115 -8.186 -9.682 1.00 54.40 O ATOM 0 H GLY A 223 1.519 -4.476 -9.261 1.00 54.40 H new ATOM 0 HA2 GLY A 223 0.361 -6.358 -10.315 1.00 24.02 H new ATOM 0 HA3 GLY A 223 1.498 -6.241 -11.643 1.00 24.02 H new ATOM 947 N ILE A 224 3.413 -6.391 -9.343 1.00 61.23 N ATOM 948 CA ILE A 224 4.425 -7.102 -8.625 1.00 12.14 C ATOM 949 C ILE A 224 4.066 -7.132 -7.161 1.00 70.53 C ATOM 950 O ILE A 224 3.853 -6.084 -6.546 1.00 41.54 O ATOM 951 CB ILE A 224 5.805 -6.448 -8.787 1.00 14.11 C ATOM 952 CG1 ILE A 224 6.191 -6.377 -10.265 1.00 62.21 C ATOM 953 CG2 ILE A 224 6.847 -7.233 -7.999 1.00 32.24 C ATOM 954 CD1 ILE A 224 7.524 -5.720 -10.506 1.00 14.04 C ATOM 0 H ILE A 224 3.597 -5.393 -9.441 1.00 61.23 H new ATOM 0 HA ILE A 224 4.478 -8.112 -9.031 1.00 12.14 H new ATOM 0 HB ILE A 224 5.762 -5.431 -8.396 1.00 14.11 H new ATOM 0 HG12 ILE A 224 6.213 -7.386 -10.676 1.00 62.21 H new ATOM 0 HG13 ILE A 224 5.421 -5.829 -10.808 1.00 62.21 H new ATOM 0 HG21 ILE A 224 7.823 -6.763 -8.119 1.00 32.24 H new ATOM 0 HG22 ILE A 224 6.575 -7.241 -6.944 1.00 32.24 H new ATOM 0 HG23 ILE A 224 6.889 -8.257 -8.371 1.00 32.24 H new ATOM 0 HD11 ILE A 224 7.734 -5.704 -11.576 1.00 14.04 H new ATOM 0 HD12 ILE A 224 7.500 -4.699 -10.126 1.00 14.04 H new ATOM 0 HD13 ILE A 224 8.304 -6.281 -9.992 1.00 14.04 H new ATOM 961 N GLU A 225 3.986 -8.317 -6.623 1.00 13.14 N ATOM 962 CA GLU A 225 3.624 -8.527 -5.239 1.00 73.20 C ATOM 963 C GLU A 225 4.622 -7.877 -4.298 1.00 13.23 C ATOM 964 O GLU A 225 5.820 -7.779 -4.591 1.00 73.04 O ATOM 965 CB GLU A 225 3.537 -10.001 -4.933 1.00 71.31 C ATOM 966 CG GLU A 225 4.866 -10.712 -5.031 1.00 42.12 C ATOM 967 CD GLU A 225 4.729 -12.178 -4.752 1.00 62.14 C ATOM 968 OE1 GLU A 225 4.819 -12.572 -3.585 1.00 23.42 O ATOM 969 OE2 GLU A 225 4.512 -12.958 -5.688 1.00 74.21 O ATOM 0 H GLU A 225 4.172 -9.179 -7.136 1.00 13.14 H new ATOM 0 HA GLU A 225 2.649 -8.064 -5.085 1.00 73.20 H new ATOM 0 HB2 GLU A 225 3.136 -10.133 -3.928 1.00 71.31 H new ATOM 0 HB3 GLU A 225 2.832 -10.467 -5.622 1.00 71.31 H new ATOM 0 HG2 GLU A 225 5.284 -10.568 -6.027 1.00 42.12 H new ATOM 0 HG3 GLU A 225 5.569 -10.271 -4.324 1.00 42.12 H new ATOM 976 N VAL A 226 4.130 -7.436 -3.185 1.00 13.44 N ATOM 977 CA VAL A 226 4.965 -6.805 -2.190 1.00 63.11 C ATOM 978 C VAL A 226 4.979 -7.569 -0.888 1.00 23.11 C ATOM 979 O VAL A 226 5.696 -7.213 0.038 1.00 2.42 O ATOM 980 CB VAL A 226 4.578 -5.336 -1.966 1.00 25.22 C ATOM 981 CG1 VAL A 226 4.869 -4.538 -3.208 1.00 54.33 C ATOM 982 CG2 VAL A 226 3.116 -5.216 -1.626 1.00 53.11 C ATOM 0 H VAL A 226 3.144 -7.498 -2.932 1.00 13.44 H new ATOM 0 HA VAL A 226 5.981 -6.822 -2.585 1.00 63.11 H new ATOM 0 HB VAL A 226 5.165 -4.949 -1.133 1.00 25.22 H new ATOM 0 HG11 VAL A 226 4.593 -3.496 -3.044 1.00 54.33 H new ATOM 0 HG12 VAL A 226 5.932 -4.599 -3.439 1.00 54.33 H new ATOM 0 HG13 VAL A 226 4.293 -4.939 -4.042 1.00 54.33 H new ATOM 0 HG21 VAL A 226 2.863 -4.167 -1.471 1.00 53.11 H new ATOM 0 HG22 VAL A 226 2.518 -5.616 -2.445 1.00 53.11 H new ATOM 0 HG23 VAL A 226 2.907 -5.778 -0.716 1.00 53.11 H new ATOM 988 N ALA A 227 4.217 -8.632 -0.827 1.00 14.20 N ATOM 989 CA ALA A 227 4.198 -9.447 0.355 1.00 51.32 C ATOM 990 C ALA A 227 5.373 -10.394 0.323 1.00 5.01 C ATOM 991 O ALA A 227 5.396 -11.355 -0.444 1.00 33.52 O ATOM 992 CB ALA A 227 2.892 -10.203 0.477 1.00 34.14 C ATOM 0 H ALA A 227 3.606 -8.950 -1.579 1.00 14.20 H new ATOM 0 HA ALA A 227 4.280 -8.805 1.232 1.00 51.32 H new ATOM 0 HB1 ALA A 227 2.907 -10.811 1.381 1.00 34.14 H new ATOM 0 HB2 ALA A 227 2.065 -9.495 0.530 1.00 34.14 H new ATOM 0 HB3 ALA A 227 2.762 -10.848 -0.392 1.00 34.14 H new ATOM 998 N GLY A 228 6.361 -10.088 1.106 1.00 75.24 N ATOM 999 CA GLY A 228 7.550 -10.902 1.168 1.00 11.03 C ATOM 1000 C GLY A 228 8.749 -10.082 0.841 1.00 33.32 C ATOM 1001 O GLY A 228 9.875 -10.396 1.244 1.00 21.54 O ATOM 0 H GLY A 228 6.373 -9.273 1.719 1.00 75.24 H new ATOM 0 HA2 GLY A 228 7.654 -11.332 2.164 1.00 11.03 H new ATOM 0 HA3 GLY A 228 7.467 -11.734 0.469 1.00 11.03 H new ATOM 1005 N LYS A 229 8.507 -9.029 0.096 1.00 74.14 N ATOM 1006 CA LYS A 229 9.542 -8.075 -0.253 1.00 60.34 C ATOM 1007 C LYS A 229 9.844 -7.238 0.994 1.00 24.44 C ATOM 1008 O LYS A 229 9.071 -7.268 1.961 1.00 61.43 O ATOM 1009 CB LYS A 229 9.035 -7.145 -1.360 1.00 60.03 C ATOM 1010 CG LYS A 229 8.413 -7.846 -2.560 1.00 11.24 C ATOM 1011 CD LYS A 229 9.383 -8.745 -3.292 1.00 52.23 C ATOM 1012 CE LYS A 229 8.673 -9.456 -4.429 1.00 23.43 C ATOM 1013 NZ LYS A 229 9.582 -10.319 -5.225 1.00 64.31 N ATOM 0 H LYS A 229 7.588 -8.806 -0.287 1.00 74.14 H new ATOM 0 HA LYS A 229 10.433 -8.596 -0.602 1.00 60.34 H new ATOM 0 HB2 LYS A 229 8.297 -6.466 -0.933 1.00 60.03 H new ATOM 0 HB3 LYS A 229 9.867 -6.533 -1.708 1.00 60.03 H new ATOM 0 HG2 LYS A 229 7.561 -8.437 -2.226 1.00 11.24 H new ATOM 0 HG3 LYS A 229 8.029 -7.096 -3.252 1.00 11.24 H new ATOM 0 HD2 LYS A 229 10.214 -8.157 -3.682 1.00 52.23 H new ATOM 0 HD3 LYS A 229 9.806 -9.476 -2.603 1.00 52.23 H new ATOM 0 HE2 LYS A 229 7.865 -10.065 -4.023 1.00 23.43 H new ATOM 0 HE3 LYS A 229 8.215 -8.716 -5.085 1.00 23.43 H new ATOM 0 HZ1 LYS A 229 9.045 -10.780 -5.987 1.00 64.31 H new ATOM 0 HZ2 LYS A 229 10.339 -9.738 -5.638 1.00 64.31 H new ATOM 0 HZ3 LYS A 229 10.000 -11.045 -4.608 1.00 64.31 H new ATOM 1027 N THR A 230 10.926 -6.495 0.991 1.00 41.12 N ATOM 1028 CA THR A 230 11.224 -5.676 2.136 1.00 52.15 C ATOM 1029 C THR A 230 10.602 -4.320 1.926 1.00 32.54 C ATOM 1030 O THR A 230 10.175 -3.995 0.798 1.00 24.34 O ATOM 1031 CB THR A 230 12.738 -5.512 2.349 1.00 1.51 C ATOM 1032 OG1 THR A 230 13.310 -4.881 1.199 1.00 13.40 O ATOM 1033 CG2 THR A 230 13.400 -6.864 2.577 1.00 40.23 C ATOM 0 H THR A 230 11.599 -6.442 0.226 1.00 41.12 H new ATOM 0 HA THR A 230 10.818 -6.163 3.023 1.00 52.15 H new ATOM 0 HB THR A 230 12.905 -4.895 3.232 1.00 1.51 H new ATOM 0 HG1 THR A 230 14.275 -4.773 1.331 1.00 13.40 H new ATOM 0 HG21 THR A 230 14.471 -6.724 2.725 1.00 40.23 H new ATOM 0 HG22 THR A 230 12.970 -7.335 3.461 1.00 40.23 H new ATOM 0 HG23 THR A 230 13.234 -7.501 1.708 1.00 40.23 H new ATOM 1039 N LEU A 231 10.559 -3.511 2.960 1.00 24.45 N ATOM 1040 CA LEU A 231 9.981 -2.211 2.841 1.00 3.44 C ATOM 1041 C LEU A 231 10.825 -1.350 1.901 1.00 12.54 C ATOM 1042 O LEU A 231 10.313 -0.450 1.239 1.00 31.21 O ATOM 1043 CB LEU A 231 9.829 -1.555 4.207 1.00 51.03 C ATOM 1044 CG LEU A 231 9.113 -0.211 4.227 1.00 72.25 C ATOM 1045 CD1 LEU A 231 7.677 -0.362 3.757 1.00 41.41 C ATOM 1046 CD2 LEU A 231 9.165 0.415 5.605 1.00 52.31 C ATOM 0 H LEU A 231 10.919 -3.738 3.887 1.00 24.45 H new ATOM 0 HA LEU A 231 8.982 -2.308 2.415 1.00 3.44 H new ATOM 0 HB2 LEU A 231 9.289 -2.241 4.859 1.00 51.03 H new ATOM 0 HB3 LEU A 231 10.822 -1.422 4.636 1.00 51.03 H new ATOM 0 HG LEU A 231 9.631 0.456 3.538 1.00 72.25 H new ATOM 0 HD11 LEU A 231 7.183 0.609 3.779 1.00 41.41 H new ATOM 0 HD12 LEU A 231 7.666 -0.752 2.739 1.00 41.41 H new ATOM 0 HD13 LEU A 231 7.149 -1.052 4.415 1.00 41.41 H new ATOM 0 HD21 LEU A 231 8.646 1.373 5.589 1.00 52.31 H new ATOM 0 HD22 LEU A 231 8.682 -0.247 6.324 1.00 52.31 H new ATOM 0 HD23 LEU A 231 10.204 0.570 5.895 1.00 52.31 H new ATOM 1054 N ASP A 232 12.112 -1.640 1.827 1.00 5.53 N ATOM 1055 CA ASP A 232 12.979 -0.926 0.909 1.00 13.21 C ATOM 1056 C ASP A 232 12.627 -1.302 -0.532 1.00 31.34 C ATOM 1057 O ASP A 232 12.444 -0.416 -1.381 1.00 43.24 O ATOM 1058 CB ASP A 232 14.461 -1.188 1.188 1.00 52.13 C ATOM 1059 CG ASP A 232 15.361 -0.359 0.285 1.00 71.24 C ATOM 1060 OD1 ASP A 232 15.670 0.792 0.634 1.00 13.12 O ATOM 1061 OD2 ASP A 232 15.756 -0.831 -0.787 1.00 43.11 O ATOM 0 H ASP A 232 12.575 -2.357 2.385 1.00 5.53 H new ATOM 0 HA ASP A 232 12.814 0.141 1.058 1.00 13.21 H new ATOM 0 HB2 ASP A 232 14.681 -0.958 2.230 1.00 52.13 H new ATOM 0 HB3 ASP A 232 14.677 -2.247 1.043 1.00 52.13 H new ATOM 1066 N GLN A 233 12.492 -2.615 -0.800 1.00 51.23 N ATOM 1067 CA GLN A 233 12.104 -3.085 -2.137 1.00 33.33 C ATOM 1068 C GLN A 233 10.763 -2.545 -2.606 1.00 60.31 C ATOM 1069 O GLN A 233 10.659 -2.028 -3.715 1.00 64.30 O ATOM 1070 CB GLN A 233 12.150 -4.624 -2.317 1.00 15.24 C ATOM 1071 CG GLN A 233 13.513 -5.199 -2.724 1.00 0.40 C ATOM 1072 CD GLN A 233 14.587 -5.113 -1.676 1.00 33.03 C ATOM 1073 OE1 GLN A 233 15.304 -4.128 -1.584 1.00 1.13 O ATOM 1074 NE2 GLN A 233 14.744 -6.163 -0.918 1.00 52.50 N ATOM 0 H GLN A 233 12.644 -3.357 -0.117 1.00 51.23 H new ATOM 0 HA GLN A 233 12.880 -2.666 -2.777 1.00 33.33 H new ATOM 0 HB2 GLN A 233 11.842 -5.091 -1.382 1.00 15.24 H new ATOM 0 HB3 GLN A 233 11.416 -4.907 -3.071 1.00 15.24 H new ATOM 0 HG2 GLN A 233 13.380 -6.245 -2.999 1.00 0.40 H new ATOM 0 HG3 GLN A 233 13.857 -4.677 -3.617 1.00 0.40 H new ATOM 0 HE21 GLN A 233 14.125 -6.966 -1.025 1.00 52.50 H new ATOM 0 HE22 GLN A 233 15.486 -6.181 -0.218 1.00 52.50 H new ATOM 1082 N VAL A 234 9.747 -2.629 -1.758 1.00 14.15 N ATOM 1083 CA VAL A 234 8.391 -2.218 -2.153 1.00 45.35 C ATOM 1084 C VAL A 234 8.318 -0.717 -2.437 1.00 0.12 C ATOM 1085 O VAL A 234 7.606 -0.269 -3.337 1.00 64.21 O ATOM 1086 CB VAL A 234 7.342 -2.598 -1.079 1.00 43.03 C ATOM 1087 CG1 VAL A 234 7.442 -4.060 -0.745 1.00 1.53 C ATOM 1088 CG2 VAL A 234 7.485 -1.756 0.165 1.00 14.41 C ATOM 0 H VAL A 234 9.826 -2.973 -0.801 1.00 14.15 H new ATOM 0 HA VAL A 234 8.158 -2.758 -3.071 1.00 45.35 H new ATOM 0 HB VAL A 234 6.354 -2.399 -1.495 1.00 43.03 H new ATOM 0 HG11 VAL A 234 6.699 -4.312 0.011 1.00 1.53 H new ATOM 0 HG12 VAL A 234 7.262 -4.651 -1.643 1.00 1.53 H new ATOM 0 HG13 VAL A 234 8.439 -4.278 -0.361 1.00 1.53 H new ATOM 0 HG21 VAL A 234 6.731 -2.053 0.894 1.00 14.41 H new ATOM 0 HG22 VAL A 234 8.478 -1.901 0.590 1.00 14.41 H new ATOM 0 HG23 VAL A 234 7.349 -0.705 -0.089 1.00 14.41 H new ATOM 1094 N THR A 235 9.088 0.034 -1.696 1.00 21.11 N ATOM 1095 CA THR A 235 9.073 1.471 -1.784 1.00 4.44 C ATOM 1096 C THR A 235 9.793 1.902 -3.030 1.00 32.43 C ATOM 1097 O THR A 235 9.383 2.846 -3.701 1.00 32.14 O ATOM 1098 CB THR A 235 9.679 2.144 -0.528 1.00 33.12 C ATOM 1099 OG1 THR A 235 8.950 1.716 0.634 1.00 51.14 O ATOM 1100 CG2 THR A 235 9.587 3.659 -0.627 1.00 54.23 C ATOM 0 H THR A 235 9.747 -0.335 -1.011 1.00 21.11 H new ATOM 0 HA THR A 235 8.034 1.797 -1.834 1.00 4.44 H new ATOM 0 HB THR A 235 10.728 1.856 -0.454 1.00 33.12 H new ATOM 0 HG1 THR A 235 9.148 0.773 0.815 1.00 51.14 H new ATOM 0 HG21 THR A 235 10.019 4.109 0.267 1.00 54.23 H new ATOM 0 HG22 THR A 235 10.134 4.000 -1.506 1.00 54.23 H new ATOM 0 HG23 THR A 235 8.542 3.955 -0.713 1.00 54.23 H new ATOM 1106 N ASP A 236 10.843 1.164 -3.372 1.00 21.21 N ATOM 1107 CA ASP A 236 11.595 1.443 -4.577 1.00 33.02 C ATOM 1108 C ASP A 236 10.681 1.289 -5.767 1.00 44.33 C ATOM 1109 O ASP A 236 10.779 2.037 -6.740 1.00 21.02 O ATOM 1110 CB ASP A 236 12.790 0.503 -4.720 1.00 51.14 C ATOM 1111 CG ASP A 236 13.651 0.830 -5.922 1.00 0.32 C ATOM 1112 OD1 ASP A 236 14.594 1.646 -5.782 1.00 23.22 O ATOM 1113 OD2 ASP A 236 13.412 0.278 -7.010 1.00 71.43 O ATOM 0 H ASP A 236 11.187 0.372 -2.830 1.00 21.21 H new ATOM 0 HA ASP A 236 11.979 2.462 -4.521 1.00 33.02 H new ATOM 0 HB2 ASP A 236 13.399 0.556 -3.817 1.00 51.14 H new ATOM 0 HB3 ASP A 236 12.432 -0.523 -4.803 1.00 51.14 H new ATOM 1118 N MET A 237 9.737 0.334 -5.661 1.00 41.51 N ATOM 1119 CA MET A 237 8.795 0.124 -6.739 1.00 75.14 C ATOM 1120 C MET A 237 7.893 1.343 -6.822 1.00 74.11 C ATOM 1121 O MET A 237 7.658 1.880 -7.882 1.00 72.24 O ATOM 1122 CB MET A 237 7.892 -1.124 -6.565 1.00 50.41 C ATOM 1123 CG MET A 237 8.514 -2.375 -5.983 1.00 40.20 C ATOM 1124 SD MET A 237 7.515 -3.829 -6.438 1.00 11.21 S ATOM 1125 CE MET A 237 8.266 -5.147 -5.518 1.00 21.20 C ATOM 0 H MET A 237 9.620 -0.282 -4.856 1.00 41.51 H new ATOM 0 HA MET A 237 9.385 -0.036 -7.641 1.00 75.14 H new ATOM 0 HB2 MET A 237 7.052 -0.842 -5.930 1.00 50.41 H new ATOM 0 HB3 MET A 237 7.482 -1.378 -7.542 1.00 50.41 H new ATOM 0 HG2 MET A 237 9.533 -2.492 -6.353 1.00 40.20 H new ATOM 0 HG3 MET A 237 8.577 -2.290 -4.898 1.00 40.20 H new ATOM 0 HE1 MET A 237 7.516 -5.904 -5.289 1.00 21.20 H new ATOM 0 HE2 MET A 237 9.065 -5.594 -6.109 1.00 21.20 H new ATOM 0 HE3 MET A 237 8.679 -4.753 -4.589 1.00 21.20 H new ATOM 1135 N MET A 238 7.421 1.788 -5.676 1.00 63.35 N ATOM 1136 CA MET A 238 6.515 2.936 -5.586 1.00 72.14 C ATOM 1137 C MET A 238 7.149 4.198 -6.170 1.00 52.21 C ATOM 1138 O MET A 238 6.482 4.976 -6.851 1.00 63.25 O ATOM 1139 CB MET A 238 6.069 3.161 -4.136 1.00 13.21 C ATOM 1140 CG MET A 238 5.317 2.003 -3.557 1.00 74.11 C ATOM 1141 SD MET A 238 4.867 2.258 -1.844 1.00 60.51 S ATOM 1142 CE MET A 238 4.187 0.648 -1.495 1.00 44.14 C ATOM 0 H MET A 238 7.649 1.370 -4.774 1.00 63.35 H new ATOM 0 HA MET A 238 5.631 2.711 -6.183 1.00 72.14 H new ATOM 0 HB2 MET A 238 6.947 3.359 -3.521 1.00 13.21 H new ATOM 0 HB3 MET A 238 5.441 4.051 -4.091 1.00 13.21 H new ATOM 0 HG2 MET A 238 4.415 1.831 -4.144 1.00 74.11 H new ATOM 0 HG3 MET A 238 5.926 1.103 -3.638 1.00 74.11 H new ATOM 0 HE1 MET A 238 3.193 0.759 -1.061 1.00 44.14 H new ATOM 0 HE2 MET A 238 4.117 0.074 -2.419 1.00 44.14 H new ATOM 0 HE3 MET A 238 4.834 0.125 -0.791 1.00 44.14 H new ATOM 1152 N VAL A 239 8.438 4.377 -5.931 1.00 25.32 N ATOM 1153 CA VAL A 239 9.166 5.519 -6.460 1.00 73.01 C ATOM 1154 C VAL A 239 9.320 5.391 -7.990 1.00 32.52 C ATOM 1155 O VAL A 239 9.290 6.383 -8.721 1.00 64.31 O ATOM 1156 CB VAL A 239 10.564 5.653 -5.786 1.00 33.15 C ATOM 1157 CG1 VAL A 239 11.311 6.858 -6.315 1.00 40.13 C ATOM 1158 CG2 VAL A 239 10.422 5.755 -4.276 1.00 12.25 C ATOM 0 H VAL A 239 9.005 3.741 -5.370 1.00 25.32 H new ATOM 0 HA VAL A 239 8.594 6.420 -6.235 1.00 73.01 H new ATOM 0 HB VAL A 239 11.137 4.758 -6.029 1.00 33.15 H new ATOM 0 HG11 VAL A 239 12.283 6.927 -5.827 1.00 40.13 H new ATOM 0 HG12 VAL A 239 11.452 6.755 -7.391 1.00 40.13 H new ATOM 0 HG13 VAL A 239 10.737 7.761 -6.109 1.00 40.13 H new ATOM 0 HG21 VAL A 239 11.409 5.848 -3.823 1.00 12.25 H new ATOM 0 HG22 VAL A 239 9.824 6.631 -4.025 1.00 12.25 H new ATOM 0 HG23 VAL A 239 9.931 4.859 -3.895 1.00 12.25 H new ATOM 1164 N ALA A 240 9.444 4.169 -8.464 1.00 43.23 N ATOM 1165 CA ALA A 240 9.579 3.918 -9.889 1.00 3.40 C ATOM 1166 C ALA A 240 8.251 4.081 -10.609 1.00 22.34 C ATOM 1167 O ALA A 240 8.200 4.494 -11.777 1.00 53.40 O ATOM 1168 CB ALA A 240 10.157 2.537 -10.138 1.00 3.34 C ATOM 0 H ALA A 240 9.454 3.330 -7.884 1.00 43.23 H new ATOM 0 HA ALA A 240 10.269 4.659 -10.292 1.00 3.40 H new ATOM 0 HB1 ALA A 240 10.250 2.369 -11.211 1.00 3.34 H new ATOM 0 HB2 ALA A 240 11.140 2.465 -9.673 1.00 3.34 H new ATOM 0 HB3 ALA A 240 9.497 1.783 -9.709 1.00 3.34 H new ATOM 1174 N ASN A 241 7.182 3.798 -9.908 1.00 34.14 N ATOM 1175 CA ASN A 241 5.848 3.885 -10.478 1.00 44.11 C ATOM 1176 C ASN A 241 5.229 5.251 -10.296 1.00 41.20 C ATOM 1177 O ASN A 241 4.041 5.393 -10.387 1.00 21.14 O ATOM 1178 CB ASN A 241 4.901 2.779 -9.960 1.00 72.21 C ATOM 1179 CG ASN A 241 5.300 1.409 -10.393 1.00 52.13 C ATOM 1180 OD1 ASN A 241 4.924 0.989 -11.427 1.00 52.13 O ATOM 1181 ND2 ASN A 241 6.055 0.704 -9.594 1.00 52.22 N ATOM 0 H ASN A 241 7.204 3.502 -8.932 1.00 34.14 H new ATOM 0 HA ASN A 241 5.980 3.723 -11.548 1.00 44.11 H new ATOM 0 HB2 ASN A 241 4.874 2.815 -8.871 1.00 72.21 H new ATOM 0 HB3 ASN A 241 3.889 2.983 -10.311 1.00 72.21 H new ATOM 0 HD21 ASN A 241 6.336 -0.240 -9.859 1.00 52.22 H new ATOM 0 HD22 ASN A 241 6.364 1.097 -8.705 1.00 52.22 H new ATOM 1187 N SER A 242 6.053 6.262 -10.087 1.00 72.11 N ATOM 1188 CA SER A 242 5.574 7.653 -9.953 1.00 33.10 C ATOM 1189 C SER A 242 4.753 8.120 -11.182 1.00 31.24 C ATOM 1190 O SER A 242 3.992 9.050 -11.082 1.00 64.23 O ATOM 1191 CB SER A 242 6.739 8.603 -9.678 1.00 54.21 C ATOM 1192 OG SER A 242 7.427 8.231 -8.487 1.00 5.13 O ATOM 0 H SER A 242 7.064 6.159 -10.004 1.00 72.11 H new ATOM 0 HA SER A 242 4.898 7.676 -9.098 1.00 33.10 H new ATOM 0 HB2 SER A 242 7.430 8.591 -10.521 1.00 54.21 H new ATOM 0 HB3 SER A 242 6.367 9.623 -9.585 1.00 54.21 H new ATOM 0 HG SER A 242 7.910 7.391 -8.637 1.00 5.13 H new ATOM 1198 N SER A 243 4.953 7.489 -12.333 1.00 11.02 N ATOM 1199 CA SER A 243 4.185 7.819 -13.527 1.00 31.22 C ATOM 1200 C SER A 243 2.685 7.493 -13.314 1.00 40.00 C ATOM 1201 O SER A 243 1.823 8.241 -13.739 1.00 4.32 O ATOM 1202 CB SER A 243 4.744 7.033 -14.699 1.00 34.03 C ATOM 1203 OG SER A 243 6.144 7.252 -14.802 1.00 34.41 O ATOM 0 H SER A 243 5.640 6.747 -12.465 1.00 11.02 H new ATOM 0 HA SER A 243 4.266 8.886 -13.733 1.00 31.22 H new ATOM 0 HB2 SER A 243 4.542 5.970 -14.565 1.00 34.03 H new ATOM 0 HB3 SER A 243 4.250 7.338 -15.622 1.00 34.03 H new ATOM 0 HG SER A 243 6.500 6.741 -15.559 1.00 34.41 H new ATOM 1209 N ASN A 244 2.432 6.380 -12.626 1.00 32.50 N ATOM 1210 CA ASN A 244 1.105 5.863 -12.233 1.00 41.11 C ATOM 1211 C ASN A 244 1.327 4.772 -11.241 1.00 2.23 C ATOM 1212 O ASN A 244 1.792 3.680 -11.597 1.00 72.15 O ATOM 1213 CB ASN A 244 0.247 5.296 -13.392 1.00 72.23 C ATOM 1214 CG ASN A 244 -0.458 6.317 -14.275 1.00 41.23 C ATOM 1215 OD1 ASN A 244 -0.686 6.062 -15.459 1.00 62.32 O ATOM 1216 ND2 ASN A 244 -0.841 7.444 -13.731 1.00 2.12 N ATOM 0 H ASN A 244 3.187 5.774 -12.305 1.00 32.50 H new ATOM 0 HA ASN A 244 0.546 6.711 -11.838 1.00 41.11 H new ATOM 0 HB2 ASN A 244 0.889 4.683 -14.024 1.00 72.23 H new ATOM 0 HB3 ASN A 244 -0.507 4.634 -12.967 1.00 72.23 H new ATOM 0 HD21 ASN A 244 -1.341 8.136 -14.289 1.00 2.12 H new ATOM 0 HD22 ASN A 244 -0.640 7.630 -12.749 1.00 2.12 H new ATOM 1222 N LEU A 245 1.024 5.040 -10.016 1.00 24.42 N ATOM 1223 CA LEU A 245 1.297 4.118 -8.964 1.00 45.02 C ATOM 1224 C LEU A 245 0.137 3.117 -8.886 1.00 64.33 C ATOM 1225 O LEU A 245 -0.926 3.447 -8.418 1.00 71.15 O ATOM 1226 CB LEU A 245 1.355 4.896 -7.643 1.00 5.22 C ATOM 1227 CG LEU A 245 2.193 4.329 -6.495 1.00 4.21 C ATOM 1228 CD1 LEU A 245 1.794 4.957 -5.191 1.00 31.11 C ATOM 1229 CD2 LEU A 245 2.164 2.829 -6.437 1.00 25.10 C ATOM 0 H LEU A 245 0.579 5.907 -9.714 1.00 24.42 H new ATOM 0 HA LEU A 245 2.238 3.599 -9.144 1.00 45.02 H new ATOM 0 HB2 LEU A 245 1.729 5.896 -7.864 1.00 5.22 H new ATOM 0 HB3 LEU A 245 0.333 5.011 -7.281 1.00 5.22 H new ATOM 0 HG LEU A 245 3.233 4.591 -6.691 1.00 4.21 H new ATOM 0 HD11 LEU A 245 2.401 4.541 -4.386 1.00 31.11 H new ATOM 0 HD12 LEU A 245 1.950 6.035 -5.243 1.00 31.11 H new ATOM 0 HD13 LEU A 245 0.742 4.752 -4.995 1.00 31.11 H new ATOM 0 HD21 LEU A 245 2.776 2.485 -5.603 1.00 25.10 H new ATOM 0 HD22 LEU A 245 1.137 2.490 -6.298 1.00 25.10 H new ATOM 0 HD23 LEU A 245 2.557 2.421 -7.368 1.00 25.10 H new ATOM 1237 N ILE A 246 0.344 1.916 -9.344 1.00 30.10 N ATOM 1238 CA ILE A 246 -0.708 0.918 -9.280 1.00 41.21 C ATOM 1239 C ILE A 246 -0.538 0.108 -8.027 1.00 64.03 C ATOM 1240 O ILE A 246 0.447 -0.589 -7.872 1.00 22.25 O ATOM 1241 CB ILE A 246 -0.623 -0.054 -10.486 1.00 54.22 C ATOM 1242 CG1 ILE A 246 -0.800 0.699 -11.796 1.00 53.51 C ATOM 1243 CG2 ILE A 246 -1.697 -1.147 -10.364 1.00 20.11 C ATOM 1244 CD1 ILE A 246 -0.458 -0.106 -13.033 1.00 54.34 C ATOM 0 H ILE A 246 1.218 1.597 -9.763 1.00 30.10 H new ATOM 0 HA ILE A 246 -1.669 1.433 -9.294 1.00 41.21 H new ATOM 0 HB ILE A 246 0.363 -0.519 -10.481 1.00 54.22 H new ATOM 0 HG12 ILE A 246 -1.834 1.035 -11.871 1.00 53.51 H new ATOM 0 HG13 ILE A 246 -0.175 1.592 -11.775 1.00 53.51 H new ATOM 0 HG21 ILE A 246 -1.627 -1.823 -11.216 1.00 20.11 H new ATOM 0 HG22 ILE A 246 -1.542 -1.708 -9.442 1.00 20.11 H new ATOM 0 HG23 ILE A 246 -2.685 -0.686 -10.347 1.00 20.11 H new ATOM 0 HD11 ILE A 246 -0.613 0.507 -13.921 1.00 54.34 H new ATOM 0 HD12 ILE A 246 0.585 -0.420 -12.986 1.00 54.34 H new ATOM 0 HD13 ILE A 246 -1.100 -0.986 -13.084 1.00 54.34 H new ATOM 1251 N ILE A 247 -1.476 0.203 -7.149 1.00 52.13 N ATOM 1252 CA ILE A 247 -1.460 -0.573 -5.946 1.00 72.21 C ATOM 1253 C ILE A 247 -2.725 -1.366 -5.765 1.00 60.54 C ATOM 1254 O ILE A 247 -3.830 -0.884 -6.026 1.00 73.35 O ATOM 1255 CB ILE A 247 -1.120 0.288 -4.680 1.00 50.43 C ATOM 1256 CG1 ILE A 247 0.392 0.486 -4.564 1.00 13.14 C ATOM 1257 CG2 ILE A 247 -1.709 -0.280 -3.400 1.00 14.13 C ATOM 1258 CD1 ILE A 247 0.820 1.360 -3.411 1.00 34.21 C ATOM 0 H ILE A 247 -2.281 0.822 -7.241 1.00 52.13 H new ATOM 0 HA ILE A 247 -0.649 -1.293 -6.057 1.00 72.21 H new ATOM 0 HB ILE A 247 -1.591 1.261 -4.816 1.00 50.43 H new ATOM 0 HG12 ILE A 247 0.867 -0.490 -4.460 1.00 13.14 H new ATOM 0 HG13 ILE A 247 0.761 0.923 -5.492 1.00 13.14 H new ATOM 0 HG21 ILE A 247 -1.439 0.360 -2.560 1.00 14.13 H new ATOM 0 HG22 ILE A 247 -2.795 -0.325 -3.488 1.00 14.13 H new ATOM 0 HG23 ILE A 247 -1.317 -1.283 -3.233 1.00 14.13 H new ATOM 0 HD11 ILE A 247 1.907 1.447 -3.404 1.00 34.21 H new ATOM 0 HD12 ILE A 247 0.378 2.350 -3.521 1.00 34.21 H new ATOM 0 HD13 ILE A 247 0.485 0.916 -2.474 1.00 34.21 H new ATOM 1265 N THR A 248 -2.543 -2.594 -5.387 1.00 42.23 N ATOM 1266 CA THR A 248 -3.608 -3.457 -5.042 1.00 34.31 C ATOM 1267 C THR A 248 -3.582 -3.639 -3.546 1.00 14.12 C ATOM 1268 O THR A 248 -2.610 -4.151 -3.012 1.00 64.50 O ATOM 1269 CB THR A 248 -3.427 -4.838 -5.689 1.00 65.22 C ATOM 1270 OG1 THR A 248 -3.315 -4.695 -7.112 1.00 40.14 O ATOM 1271 CG2 THR A 248 -4.600 -5.753 -5.360 1.00 0.44 C ATOM 0 H THR A 248 -1.622 -3.026 -5.311 1.00 42.23 H new ATOM 0 HA THR A 248 -4.547 -3.024 -5.388 1.00 34.31 H new ATOM 0 HB THR A 248 -2.517 -5.286 -5.290 1.00 65.22 H new ATOM 0 HG1 THR A 248 -3.198 -5.578 -7.521 1.00 40.14 H new ATOM 0 HG21 THR A 248 -4.447 -6.724 -5.830 1.00 0.44 H new ATOM 0 HG22 THR A 248 -4.671 -5.880 -4.280 1.00 0.44 H new ATOM 0 HG23 THR A 248 -5.523 -5.310 -5.734 1.00 0.44 H new ATOM 1277 N VAL A 249 -4.592 -3.190 -2.886 1.00 30.21 N ATOM 1278 CA VAL A 249 -4.728 -3.418 -1.466 1.00 53.22 C ATOM 1279 C VAL A 249 -5.970 -4.223 -1.204 1.00 3.30 C ATOM 1280 O VAL A 249 -6.822 -4.393 -2.100 1.00 4.15 O ATOM 1281 CB VAL A 249 -4.754 -2.108 -0.570 1.00 61.13 C ATOM 1282 CG1 VAL A 249 -3.389 -1.421 -0.476 1.00 5.34 C ATOM 1283 CG2 VAL A 249 -5.826 -1.132 -1.050 1.00 41.34 C ATOM 0 H VAL A 249 -5.353 -2.654 -3.303 1.00 30.21 H new ATOM 0 HA VAL A 249 -3.827 -3.957 -1.172 1.00 53.22 H new ATOM 0 HB VAL A 249 -5.008 -2.432 0.439 1.00 61.13 H new ATOM 0 HG11 VAL A 249 -3.471 -0.532 0.150 1.00 5.34 H new ATOM 0 HG12 VAL A 249 -2.665 -2.108 -0.037 1.00 5.34 H new ATOM 0 HG13 VAL A 249 -3.057 -1.133 -1.474 1.00 5.34 H new ATOM 0 HG21 VAL A 249 -5.820 -0.245 -0.417 1.00 41.34 H new ATOM 0 HG22 VAL A 249 -5.620 -0.844 -2.081 1.00 41.34 H new ATOM 0 HG23 VAL A 249 -6.804 -1.610 -0.995 1.00 41.34 H new ATOM 1289 N LYS A 250 -6.040 -4.744 -0.030 1.00 52.15 N ATOM 1290 CA LYS A 250 -7.177 -5.451 0.458 1.00 73.34 C ATOM 1291 C LYS A 250 -7.518 -4.928 1.835 1.00 55.41 C ATOM 1292 O LYS A 250 -6.644 -4.840 2.705 1.00 70.14 O ATOM 1293 CB LYS A 250 -6.926 -6.966 0.514 1.00 52.12 C ATOM 1294 CG LYS A 250 -5.627 -7.349 1.201 1.00 43.54 C ATOM 1295 CD LYS A 250 -5.565 -8.820 1.564 1.00 23.34 C ATOM 1296 CE LYS A 250 -6.584 -9.171 2.635 1.00 5.10 C ATOM 1297 NZ LYS A 250 -6.492 -10.598 3.026 1.00 60.21 N ATOM 0 H LYS A 250 -5.278 -4.689 0.646 1.00 52.15 H new ATOM 0 HA LYS A 250 -8.010 -5.288 -0.226 1.00 73.34 H new ATOM 0 HB2 LYS A 250 -7.756 -7.443 1.036 1.00 52.12 H new ATOM 0 HB3 LYS A 250 -6.919 -7.361 -0.502 1.00 52.12 H new ATOM 0 HG2 LYS A 250 -4.790 -7.105 0.547 1.00 43.54 H new ATOM 0 HG3 LYS A 250 -5.510 -6.751 2.105 1.00 43.54 H new ATOM 0 HD2 LYS A 250 -5.747 -9.424 0.675 1.00 23.34 H new ATOM 0 HD3 LYS A 250 -4.564 -9.067 1.917 1.00 23.34 H new ATOM 0 HE2 LYS A 250 -6.424 -8.542 3.511 1.00 5.10 H new ATOM 0 HE3 LYS A 250 -7.588 -8.957 2.268 1.00 5.10 H new ATOM 0 HZ1 LYS A 250 -7.201 -10.804 3.758 1.00 60.21 H new ATOM 0 HZ2 LYS A 250 -6.669 -11.198 2.195 1.00 60.21 H new ATOM 0 HZ3 LYS A 250 -5.542 -10.795 3.399 1.00 60.21 H new ATOM 1311 N PRO A 251 -8.757 -4.552 2.059 1.00 73.41 N ATOM 1312 CA PRO A 251 -9.173 -4.052 3.346 1.00 43.24 C ATOM 1313 C PRO A 251 -9.250 -5.149 4.396 1.00 41.31 C ATOM 1314 O PRO A 251 -9.814 -6.224 4.154 1.00 31.31 O ATOM 1315 CB PRO A 251 -10.549 -3.441 3.088 1.00 51.24 C ATOM 1316 CG PRO A 251 -11.060 -4.143 1.870 1.00 75.03 C ATOM 1317 CD PRO A 251 -9.850 -4.533 1.064 1.00 70.23 C ATOM 0 HA PRO A 251 -8.459 -3.332 3.746 1.00 43.24 H new ATOM 0 HB2 PRO A 251 -11.214 -3.591 3.939 1.00 51.24 H new ATOM 0 HB3 PRO A 251 -10.479 -2.366 2.924 1.00 51.24 H new ATOM 0 HG2 PRO A 251 -11.643 -5.022 2.145 1.00 75.03 H new ATOM 0 HG3 PRO A 251 -11.717 -3.492 1.294 1.00 75.03 H new ATOM 0 HD2 PRO A 251 -9.980 -5.507 0.593 1.00 70.23 H new ATOM 0 HD3 PRO A 251 -9.653 -3.817 0.266 1.00 70.23 H new