USER MOD reduce.3.24.130724 H: found=0, std=0, add=616, rem=0, adj=15 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 170:sc= -0.127 USER MOD Set 1.2: A 233 GLN : amide:sc= -0.276 K(o=-0.4,f=1.5) USER MOD Set 2.1: A 222 ASN : amide:sc= -0.272 K(o=0.075,f=0.61) USER MOD Set 2.2: A 241 ASN : amide:sc= 0.346 K(o=0.075,f=-2.1) USER MOD Single : A 158 HIS : no HD1:sc= -1.32 K(o=-1.3,f=-2) USER MOD Single : A 175 TYR OH : rot 180:sc= 0 USER MOD Single : A 180 THR OG1 : rot 180:sc= 0.046 USER MOD Single : A 181 SER OG : rot 106:sc= 1.26 USER MOD Single : A 191 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 192 GLN : amide:sc= -0.129 X(o=-0.13,f=-0.45) USER MOD Single : A 198 SER OG : rot 180:sc= 0 USER MOD Single : A 208 SER OG : rot 180:sc= 0 USER MOD Single : A 209 THR OG1 : rot 170:sc= -0.227 USER MOD Single : A 215 ASN : amide:sc= 0 X(o=0,f=-0.058) USER MOD Single : A 229 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00202) USER MOD Single : A 235 THR OG1 : rot 63:sc= 0.852 USER MOD Single : A 237 MET CE :methyl -125:sc= -0.673 (180deg=-4.53!) USER MOD Single : A 238 MET CE :methyl -125:sc= -0.29 (180deg=-0.88) USER MOD Single : A 242 SER OG : rot 13:sc= 0.4 USER MOD Single : A 243 SER OG : rot 180:sc= 0 USER MOD Single : A 244 ASN : amide:sc= -0.333 X(o=-0.33,f=-0.026) USER MOD Single : A 248 THR OG1 : rot -170:sc= -1.28 USER MOD Single : A 250 LYS NZ :NH3+ -164:sc= 0.769 (180deg=-0.084) USER MOD ----------------------------------------------------------------- ATOM 28 N HIS A 158 -9.348 -7.693 -3.012 1.00 51.10 N ATOM 29 CA HIS A 158 -8.324 -6.715 -3.293 1.00 65.05 C ATOM 30 C HIS A 158 -8.472 -6.013 -4.606 1.00 1.30 C ATOM 31 O HIS A 158 -8.635 -6.621 -5.646 1.00 51.44 O ATOM 32 CB HIS A 158 -6.871 -7.105 -2.947 1.00 3.21 C ATOM 33 CG HIS A 158 -6.360 -8.441 -3.342 1.00 1.21 C ATOM 34 ND1 HIS A 158 -6.190 -9.460 -2.433 1.00 72.24 N ATOM 35 CD2 HIS A 158 -5.833 -8.875 -4.486 1.00 1.53 C ATOM 36 CE1 HIS A 158 -5.565 -10.445 -3.008 1.00 51.42 C ATOM 37 NE2 HIS A 158 -5.341 -10.128 -4.258 1.00 34.22 N ATOM 0 HA HIS A 158 -8.542 -5.958 -2.540 1.00 65.05 H new ATOM 0 HB2 HIS A 158 -6.216 -6.359 -3.397 1.00 3.21 H new ATOM 0 HB3 HIS A 158 -6.758 -7.018 -1.866 1.00 3.21 H new ATOM 0 HD2 HIS A 158 -5.801 -8.335 -5.421 1.00 1.53 H new ATOM 0 HE1 HIS A 158 -5.278 -11.371 -2.533 1.00 51.42 H new ATOM 0 HE2 HIS A 158 -4.876 -10.719 -4.947 1.00 34.22 H new ATOM 46 N ARG A 159 -8.385 -4.717 -4.516 1.00 41.24 N ATOM 47 CA ARG A 159 -8.626 -3.784 -5.603 1.00 32.21 C ATOM 48 C ARG A 159 -7.342 -3.128 -6.040 1.00 22.51 C ATOM 49 O ARG A 159 -6.467 -2.857 -5.215 1.00 65.54 O ATOM 50 CB ARG A 159 -9.610 -2.728 -5.101 1.00 71.33 C ATOM 51 CG ARG A 159 -9.153 -2.073 -3.800 1.00 25.14 C ATOM 52 CD ARG A 159 -10.257 -1.265 -3.161 1.00 72.54 C ATOM 53 NE ARG A 159 -9.981 -0.999 -1.740 1.00 11.24 N ATOM 54 CZ ARG A 159 -10.935 -0.888 -0.795 1.00 71.34 C ATOM 55 NH1 ARG A 159 -12.226 -0.839 -1.144 1.00 63.13 N ATOM 56 NH2 ARG A 159 -10.601 -0.819 0.487 1.00 55.13 N ATOM 0 H ARG A 159 -8.133 -4.250 -3.645 1.00 41.24 H new ATOM 0 HA ARG A 159 -9.035 -4.313 -6.463 1.00 32.21 H new ATOM 0 HB2 ARG A 159 -9.736 -1.961 -5.865 1.00 71.33 H new ATOM 0 HB3 ARG A 159 -10.586 -3.189 -4.948 1.00 71.33 H new ATOM 0 HG2 ARG A 159 -8.816 -2.842 -3.105 1.00 25.14 H new ATOM 0 HG3 ARG A 159 -8.298 -1.427 -3.999 1.00 25.14 H new ATOM 0 HD2 ARG A 159 -10.372 -0.321 -3.693 1.00 72.54 H new ATOM 0 HD3 ARG A 159 -11.202 -1.801 -3.255 1.00 72.54 H new ATOM 0 HE ARG A 159 -9.008 -0.892 -1.453 1.00 11.24 H new ATOM 0 HH11 ARG A 159 -12.490 -0.886 -2.128 1.00 63.13 H new ATOM 0 HH12 ARG A 159 -12.946 -0.755 -0.426 1.00 63.13 H new ATOM 0 HH21 ARG A 159 -9.619 -0.850 0.761 1.00 55.13 H new ATOM 0 HH22 ARG A 159 -11.326 -0.735 1.199 1.00 55.13 H new ATOM 68 N ARG A 160 -7.217 -2.889 -7.316 1.00 51.33 N ATOM 69 CA ARG A 160 -6.051 -2.243 -7.845 1.00 40.11 C ATOM 70 C ARG A 160 -6.399 -0.881 -8.415 1.00 33.30 C ATOM 71 O ARG A 160 -7.149 -0.757 -9.392 1.00 4.00 O ATOM 72 CB ARG A 160 -5.322 -3.139 -8.858 1.00 61.12 C ATOM 73 CG ARG A 160 -6.160 -3.622 -10.029 1.00 3.43 C ATOM 74 CD ARG A 160 -5.360 -4.558 -10.915 1.00 73.33 C ATOM 75 NE ARG A 160 -4.157 -3.918 -11.477 1.00 64.20 N ATOM 76 CZ ARG A 160 -2.926 -4.462 -11.481 1.00 63.54 C ATOM 77 NH1 ARG A 160 -2.704 -5.604 -10.842 1.00 10.14 N ATOM 78 NH2 ARG A 160 -1.928 -3.847 -12.109 1.00 3.42 N ATOM 0 H ARG A 160 -7.918 -3.136 -8.015 1.00 51.33 H new ATOM 0 HA ARG A 160 -5.352 -2.076 -7.025 1.00 40.11 H new ATOM 0 HB2 ARG A 160 -4.465 -2.591 -9.249 1.00 61.12 H new ATOM 0 HB3 ARG A 160 -4.931 -4.009 -8.331 1.00 61.12 H new ATOM 0 HG2 ARG A 160 -7.048 -4.135 -9.659 1.00 3.43 H new ATOM 0 HG3 ARG A 160 -6.504 -2.768 -10.612 1.00 3.43 H new ATOM 0 HD2 ARG A 160 -5.065 -5.434 -10.338 1.00 73.33 H new ATOM 0 HD3 ARG A 160 -5.993 -4.911 -11.729 1.00 73.33 H new ATOM 0 HE ARG A 160 -4.266 -2.994 -11.894 1.00 64.20 H new ATOM 0 HH11 ARG A 160 -3.466 -6.069 -10.348 1.00 10.14 H new ATOM 0 HH12 ARG A 160 -1.771 -6.017 -10.845 1.00 10.14 H new ATOM 0 HH21 ARG A 160 -2.095 -2.962 -12.588 1.00 3.42 H new ATOM 0 HH22 ARG A 160 -0.995 -4.260 -12.111 1.00 3.42 H new ATOM 90 N VAL A 161 -5.896 0.128 -7.767 1.00 15.00 N ATOM 91 CA VAL A 161 -6.117 1.508 -8.166 1.00 65.32 C ATOM 92 C VAL A 161 -4.840 2.202 -8.622 1.00 44.44 C ATOM 93 O VAL A 161 -3.759 1.985 -8.054 1.00 22.03 O ATOM 94 CB VAL A 161 -6.789 2.327 -7.050 1.00 14.20 C ATOM 95 CG1 VAL A 161 -8.178 1.808 -6.811 1.00 31.11 C ATOM 96 CG2 VAL A 161 -5.978 2.259 -5.758 1.00 34.51 C ATOM 0 H VAL A 161 -5.313 0.027 -6.936 1.00 15.00 H new ATOM 0 HA VAL A 161 -6.792 1.461 -9.020 1.00 65.32 H new ATOM 0 HB VAL A 161 -6.838 3.369 -7.366 1.00 14.20 H new ATOM 0 HG11 VAL A 161 -8.653 2.389 -6.020 1.00 31.11 H new ATOM 0 HG12 VAL A 161 -8.762 1.897 -7.727 1.00 31.11 H new ATOM 0 HG13 VAL A 161 -8.129 0.761 -6.512 1.00 31.11 H new ATOM 0 HG21 VAL A 161 -6.475 2.846 -4.985 1.00 34.51 H new ATOM 0 HG22 VAL A 161 -5.900 1.222 -5.432 1.00 34.51 H new ATOM 0 HG23 VAL A 161 -4.980 2.660 -5.933 1.00 34.51 H new ATOM 102 N ARG A 162 -4.952 2.995 -9.670 1.00 4.42 N ATOM 103 CA ARG A 162 -3.822 3.751 -10.162 1.00 15.00 C ATOM 104 C ARG A 162 -3.863 5.165 -9.598 1.00 35.22 C ATOM 105 O ARG A 162 -4.756 5.963 -9.918 1.00 12.35 O ATOM 106 CB ARG A 162 -3.773 3.790 -11.693 1.00 61.41 C ATOM 107 CG ARG A 162 -2.521 4.482 -12.230 1.00 52.23 C ATOM 108 CD ARG A 162 -2.501 4.555 -13.754 1.00 61.12 C ATOM 109 NE ARG A 162 -2.501 3.230 -14.378 1.00 53.34 N ATOM 110 CZ ARG A 162 -1.929 2.927 -15.556 1.00 13.11 C ATOM 111 NH1 ARG A 162 -1.313 3.861 -16.268 1.00 74.12 N ATOM 112 NH2 ARG A 162 -1.992 1.694 -16.018 1.00 65.31 N ATOM 0 H ARG A 162 -5.815 3.131 -10.196 1.00 4.42 H new ATOM 0 HA ARG A 162 -2.916 3.248 -9.825 1.00 15.00 H new ATOM 0 HB2 ARG A 162 -3.813 2.771 -12.079 1.00 61.41 H new ATOM 0 HB3 ARG A 162 -4.657 4.307 -12.067 1.00 61.41 H new ATOM 0 HG2 ARG A 162 -2.463 5.491 -11.821 1.00 52.23 H new ATOM 0 HG3 ARG A 162 -1.637 3.946 -11.884 1.00 52.23 H new ATOM 0 HD2 ARG A 162 -3.370 5.116 -14.099 1.00 61.12 H new ATOM 0 HD3 ARG A 162 -1.617 5.105 -14.077 1.00 61.12 H new ATOM 0 HE ARG A 162 -2.973 2.476 -13.878 1.00 53.34 H new ATOM 0 HH11 ARG A 162 -1.270 4.820 -15.923 1.00 74.12 H new ATOM 0 HH12 ARG A 162 -0.882 3.620 -17.161 1.00 74.12 H new ATOM 0 HH21 ARG A 162 -2.474 0.972 -15.482 1.00 65.31 H new ATOM 0 HH22 ARG A 162 -1.559 1.461 -16.912 1.00 65.31 H new ATOM 124 N LEU A 163 -2.909 5.452 -8.770 1.00 11.12 N ATOM 125 CA LEU A 163 -2.785 6.711 -8.103 1.00 32.13 C ATOM 126 C LEU A 163 -1.872 7.595 -8.908 1.00 11.23 C ATOM 127 O LEU A 163 -0.864 7.115 -9.436 1.00 33.33 O ATOM 128 CB LEU A 163 -2.138 6.505 -6.729 1.00 75.53 C ATOM 129 CG LEU A 163 -2.697 5.364 -5.886 1.00 71.03 C ATOM 130 CD1 LEU A 163 -2.052 5.362 -4.546 1.00 51.41 C ATOM 131 CD2 LEU A 163 -4.211 5.420 -5.769 1.00 62.31 C ATOM 0 H LEU A 163 -2.168 4.793 -8.531 1.00 11.12 H new ATOM 0 HA LEU A 163 -3.773 7.159 -7.993 1.00 32.13 H new ATOM 0 HB2 LEU A 163 -1.072 6.333 -6.875 1.00 75.53 H new ATOM 0 HB3 LEU A 163 -2.237 7.430 -6.162 1.00 75.53 H new ATOM 0 HG LEU A 163 -2.463 4.428 -6.394 1.00 71.03 H new ATOM 0 HD11 LEU A 163 -2.456 4.544 -3.949 1.00 51.41 H new ATOM 0 HD12 LEU A 163 -0.976 5.231 -4.660 1.00 51.41 H new ATOM 0 HD13 LEU A 163 -2.251 6.310 -4.045 1.00 51.41 H new ATOM 0 HD21 LEU A 163 -4.560 4.587 -5.159 1.00 62.31 H new ATOM 0 HD22 LEU A 163 -4.505 6.360 -5.302 1.00 62.31 H new ATOM 0 HD23 LEU A 163 -4.655 5.354 -6.762 1.00 62.31 H new ATOM 139 N LEU A 164 -2.236 8.850 -9.029 1.00 22.24 N ATOM 140 CA LEU A 164 -1.427 9.852 -9.671 1.00 2.33 C ATOM 141 C LEU A 164 -1.436 9.697 -11.167 1.00 15.22 C ATOM 142 O LEU A 164 -0.584 9.024 -11.765 1.00 75.32 O ATOM 143 CB LEU A 164 -0.005 9.919 -9.081 1.00 52.54 C ATOM 144 CG LEU A 164 0.915 11.013 -9.613 1.00 14.43 C ATOM 145 CD1 LEU A 164 0.187 12.346 -9.638 1.00 43.22 C ATOM 146 CD2 LEU A 164 2.144 11.107 -8.721 1.00 42.15 C ATOM 0 H LEU A 164 -3.123 9.208 -8.675 1.00 22.24 H new ATOM 0 HA LEU A 164 -1.881 10.820 -9.459 1.00 2.33 H new ATOM 0 HB2 LEU A 164 -0.092 10.045 -8.002 1.00 52.54 H new ATOM 0 HB3 LEU A 164 0.478 8.957 -9.252 1.00 52.54 H new ATOM 0 HG LEU A 164 1.219 10.767 -10.630 1.00 14.43 H new ATOM 0 HD11 LEU A 164 0.855 13.118 -10.020 1.00 43.22 H new ATOM 0 HD12 LEU A 164 -0.688 12.271 -10.284 1.00 43.22 H new ATOM 0 HD13 LEU A 164 -0.129 12.607 -8.628 1.00 43.22 H new ATOM 0 HD21 LEU A 164 2.807 11.887 -9.095 1.00 42.15 H new ATOM 0 HD22 LEU A 164 1.837 11.349 -7.703 1.00 42.15 H new ATOM 0 HD23 LEU A 164 2.670 10.152 -8.724 1.00 42.15 H new ATOM 260 N LEU A 172 1.991 11.294 -3.019 1.00 32.14 N ATOM 261 CA LEU A 172 0.812 10.458 -3.163 1.00 74.51 C ATOM 262 C LEU A 172 -0.193 10.691 -2.061 1.00 42.42 C ATOM 263 O LEU A 172 -1.404 10.566 -2.275 1.00 12.34 O ATOM 264 CB LEU A 172 1.164 8.979 -3.263 1.00 70.23 C ATOM 265 CG LEU A 172 1.828 8.492 -4.557 1.00 61.13 C ATOM 266 CD1 LEU A 172 0.955 8.798 -5.762 1.00 32.22 C ATOM 267 CD2 LEU A 172 3.246 9.033 -4.739 1.00 42.20 C ATOM 0 HA LEU A 172 0.348 10.755 -4.103 1.00 74.51 H new ATOM 0 HB2 LEU A 172 1.827 8.735 -2.433 1.00 70.23 H new ATOM 0 HB3 LEU A 172 0.248 8.405 -3.119 1.00 70.23 H new ATOM 0 HG LEU A 172 1.927 7.410 -4.472 1.00 61.13 H new ATOM 0 HD11 LEU A 172 1.447 8.443 -6.667 1.00 32.22 H new ATOM 0 HD12 LEU A 172 -0.007 8.297 -5.651 1.00 32.22 H new ATOM 0 HD13 LEU A 172 0.797 9.874 -5.833 1.00 32.22 H new ATOM 0 HD21 LEU A 172 3.663 8.654 -5.672 1.00 42.20 H new ATOM 0 HD22 LEU A 172 3.219 10.122 -4.770 1.00 42.20 H new ATOM 0 HD23 LEU A 172 3.869 8.709 -3.905 1.00 42.20 H new ATOM 275 N GLY A 173 0.297 11.023 -0.904 1.00 50.45 N ATOM 276 CA GLY A 173 -0.566 11.328 0.189 1.00 15.03 C ATOM 277 C GLY A 173 -0.955 10.116 0.997 1.00 41.44 C ATOM 278 O GLY A 173 -2.084 10.025 1.495 1.00 24.33 O ATOM 0 H GLY A 173 1.293 11.089 -0.696 1.00 50.45 H new ATOM 0 HA2 GLY A 173 -0.073 12.049 0.842 1.00 15.03 H new ATOM 0 HA3 GLY A 173 -1.468 11.807 -0.192 1.00 15.03 H new ATOM 282 N PHE A 174 -0.046 9.190 1.123 1.00 41.30 N ATOM 283 CA PHE A 174 -0.243 8.044 1.964 1.00 42.45 C ATOM 284 C PHE A 174 1.114 7.547 2.375 1.00 31.33 C ATOM 285 O PHE A 174 2.102 7.782 1.674 1.00 11.20 O ATOM 286 CB PHE A 174 -1.053 6.895 1.258 1.00 55.00 C ATOM 287 CG PHE A 174 -0.336 6.174 0.124 1.00 25.04 C ATOM 288 CD1 PHE A 174 0.512 5.105 0.396 1.00 21.31 C ATOM 289 CD2 PHE A 174 -0.502 6.559 -1.194 1.00 4.33 C ATOM 290 CE1 PHE A 174 1.175 4.448 -0.619 1.00 42.22 C ATOM 291 CE2 PHE A 174 0.171 5.893 -2.213 1.00 13.30 C ATOM 292 CZ PHE A 174 1.003 4.841 -1.916 1.00 30.20 C ATOM 0 H PHE A 174 0.854 9.209 0.644 1.00 41.30 H new ATOM 0 HA PHE A 174 -0.839 8.342 2.827 1.00 42.45 H new ATOM 0 HB2 PHE A 174 -1.333 6.158 2.011 1.00 55.00 H new ATOM 0 HB3 PHE A 174 -1.978 7.317 0.866 1.00 55.00 H new ATOM 0 HD1 PHE A 174 0.653 4.785 1.418 1.00 21.31 H new ATOM 0 HD2 PHE A 174 -1.159 7.382 -1.434 1.00 4.33 H new ATOM 0 HE1 PHE A 174 1.831 3.622 -0.388 1.00 42.22 H new ATOM 0 HE2 PHE A 174 0.039 6.203 -3.239 1.00 13.30 H new ATOM 0 HZ PHE A 174 1.522 4.324 -2.709 1.00 30.20 H new ATOM 302 N TYR A 175 1.179 6.897 3.485 1.00 70.31 N ATOM 303 CA TYR A 175 2.406 6.310 3.943 1.00 2.13 C ATOM 304 C TYR A 175 2.180 4.867 4.209 1.00 33.34 C ATOM 305 O TYR A 175 1.072 4.471 4.586 1.00 33.11 O ATOM 306 CB TYR A 175 2.942 7.022 5.184 1.00 34.24 C ATOM 307 CG TYR A 175 3.318 8.454 4.919 1.00 10.12 C ATOM 308 CD1 TYR A 175 4.585 8.780 4.459 1.00 11.13 C ATOM 309 CD2 TYR A 175 2.413 9.477 5.109 1.00 61.24 C ATOM 310 CE1 TYR A 175 4.936 10.083 4.202 1.00 5.02 C ATOM 311 CE2 TYR A 175 2.758 10.779 4.851 1.00 42.12 C ATOM 312 CZ TYR A 175 4.018 11.078 4.398 1.00 74.40 C ATOM 313 OH TYR A 175 4.357 12.386 4.139 1.00 34.43 O ATOM 0 H TYR A 175 0.384 6.753 4.108 1.00 70.31 H new ATOM 0 HA TYR A 175 3.163 6.422 3.167 1.00 2.13 H new ATOM 0 HB2 TYR A 175 2.188 6.989 5.970 1.00 34.24 H new ATOM 0 HB3 TYR A 175 3.814 6.485 5.557 1.00 34.24 H new ATOM 0 HD1 TYR A 175 5.309 7.995 4.300 1.00 11.13 H new ATOM 0 HD2 TYR A 175 1.419 9.250 5.466 1.00 61.24 H new ATOM 0 HE1 TYR A 175 5.929 10.320 3.848 1.00 5.02 H new ATOM 0 HE2 TYR A 175 2.038 11.569 5.004 1.00 42.12 H new ATOM 0 HH TYR A 175 3.591 12.966 4.329 1.00 34.43 H new ATOM 323 N ILE A 176 3.189 4.082 4.022 1.00 32.03 N ATOM 324 CA ILE A 176 3.073 2.662 4.184 1.00 24.52 C ATOM 325 C ILE A 176 3.824 2.187 5.406 1.00 20.12 C ATOM 326 O ILE A 176 4.571 2.941 6.032 1.00 21.14 O ATOM 327 CB ILE A 176 3.565 1.892 2.937 1.00 34.03 C ATOM 328 CG1 ILE A 176 5.023 2.251 2.620 1.00 4.12 C ATOM 329 CG2 ILE A 176 2.653 2.167 1.748 1.00 54.02 C ATOM 330 CD1 ILE A 176 5.612 1.492 1.472 1.00 14.35 C ATOM 0 H ILE A 176 4.119 4.402 3.752 1.00 32.03 H new ATOM 0 HA ILE A 176 2.012 2.451 4.315 1.00 24.52 H new ATOM 0 HB ILE A 176 3.526 0.823 3.148 1.00 34.03 H new ATOM 0 HG12 ILE A 176 5.083 3.318 2.403 1.00 4.12 H new ATOM 0 HG13 ILE A 176 5.630 2.072 3.508 1.00 4.12 H new ATOM 0 HG21 ILE A 176 3.013 1.617 0.878 1.00 54.02 H new ATOM 0 HG22 ILE A 176 1.639 1.846 1.985 1.00 54.02 H new ATOM 0 HG23 ILE A 176 2.654 3.235 1.528 1.00 54.02 H new ATOM 0 HD11 ILE A 176 6.644 1.808 1.318 1.00 14.35 H new ATOM 0 HD12 ILE A 176 5.589 0.425 1.691 1.00 14.35 H new ATOM 0 HD13 ILE A 176 5.033 1.690 0.570 1.00 14.35 H new ATOM 337 N ARG A 177 3.599 0.958 5.746 1.00 22.10 N ATOM 338 CA ARG A 177 4.204 0.310 6.889 1.00 20.42 C ATOM 339 C ARG A 177 4.365 -1.146 6.603 1.00 51.12 C ATOM 340 O ARG A 177 3.627 -1.699 5.797 1.00 24.35 O ATOM 341 CB ARG A 177 3.349 0.475 8.144 1.00 13.40 C ATOM 342 CG ARG A 177 1.887 0.140 7.924 1.00 13.03 C ATOM 343 CD ARG A 177 1.122 0.027 9.221 1.00 51.03 C ATOM 344 NE ARG A 177 -0.317 -0.177 8.985 1.00 44.44 N ATOM 345 CZ ARG A 177 -1.127 -0.949 9.719 1.00 72.42 C ATOM 346 NH1 ARG A 177 -0.639 -1.670 10.728 1.00 20.24 N ATOM 347 NH2 ARG A 177 -2.425 -1.011 9.425 1.00 4.54 N ATOM 0 H ARG A 177 2.969 0.349 5.224 1.00 22.10 H new ATOM 0 HA ARG A 177 5.173 0.777 7.067 1.00 20.42 H new ATOM 0 HB2 ARG A 177 3.746 -0.165 8.932 1.00 13.40 H new ATOM 0 HB3 ARG A 177 3.430 1.503 8.497 1.00 13.40 H new ATOM 0 HG2 ARG A 177 1.430 0.909 7.302 1.00 13.03 H new ATOM 0 HG3 ARG A 177 1.810 -0.800 7.377 1.00 13.03 H new ATOM 0 HD2 ARG A 177 1.517 -0.804 9.806 1.00 51.03 H new ATOM 0 HD3 ARG A 177 1.270 0.931 9.811 1.00 51.03 H new ATOM 0 HE ARG A 177 -0.733 0.313 8.193 1.00 44.44 H new ATOM 0 HH11 ARG A 177 0.357 -1.635 10.945 1.00 20.24 H new ATOM 0 HH12 ARG A 177 -1.262 -2.256 11.284 1.00 20.24 H new ATOM 0 HH21 ARG A 177 -2.797 -0.472 8.643 1.00 4.54 H new ATOM 0 HH22 ARG A 177 -3.046 -1.598 9.981 1.00 4.54 H new ATOM 359 N ASP A 178 5.295 -1.758 7.249 1.00 32.33 N ATOM 360 CA ASP A 178 5.544 -3.163 7.064 1.00 25.34 C ATOM 361 C ASP A 178 5.301 -3.877 8.360 1.00 44.41 C ATOM 362 O ASP A 178 5.540 -3.324 9.442 1.00 32.35 O ATOM 363 CB ASP A 178 6.979 -3.432 6.567 1.00 23.44 C ATOM 364 CG ASP A 178 8.065 -3.101 7.582 1.00 11.11 C ATOM 365 OD1 ASP A 178 8.341 -1.904 7.820 1.00 32.43 O ATOM 366 OD2 ASP A 178 8.681 -4.031 8.136 1.00 64.23 O ATOM 0 H ASP A 178 5.911 -1.306 7.924 1.00 32.33 H new ATOM 0 HA ASP A 178 4.864 -3.535 6.298 1.00 25.34 H new ATOM 0 HB2 ASP A 178 7.064 -4.483 6.290 1.00 23.44 H new ATOM 0 HB3 ASP A 178 7.153 -2.849 5.663 1.00 23.44 H new ATOM 371 N GLY A 179 4.790 -5.058 8.263 1.00 23.13 N ATOM 372 CA GLY A 179 4.532 -5.854 9.406 1.00 54.03 C ATOM 373 C GLY A 179 4.369 -7.275 9.001 1.00 53.55 C ATOM 374 O GLY A 179 4.468 -7.589 7.817 1.00 51.12 O ATOM 0 H GLY A 179 4.539 -5.498 7.378 1.00 23.13 H new ATOM 0 HA2 GLY A 179 5.352 -5.761 10.118 1.00 54.03 H new ATOM 0 HA3 GLY A 179 3.631 -5.504 9.909 1.00 54.03 H new ATOM 378 N THR A 180 4.128 -8.136 9.931 1.00 33.53 N ATOM 379 CA THR A 180 3.906 -9.498 9.599 1.00 53.13 C ATOM 380 C THR A 180 2.468 -9.773 9.263 1.00 61.33 C ATOM 381 O THR A 180 1.551 -9.491 10.048 1.00 43.25 O ATOM 382 CB THR A 180 4.363 -10.449 10.684 1.00 2.24 C ATOM 383 OG1 THR A 180 4.242 -9.846 11.984 1.00 22.31 O ATOM 384 CG2 THR A 180 5.749 -11.023 10.434 1.00 5.11 C ATOM 0 H THR A 180 4.080 -7.919 10.926 1.00 33.53 H new ATOM 0 HA THR A 180 4.514 -9.679 8.713 1.00 53.13 H new ATOM 0 HB THR A 180 3.691 -11.307 10.655 1.00 2.24 H new ATOM 0 HG1 THR A 180 4.542 -10.481 12.668 1.00 22.31 H new ATOM 0 HG21 THR A 180 6.016 -11.696 11.248 1.00 5.11 H new ATOM 0 HG22 THR A 180 5.751 -11.573 9.493 1.00 5.11 H new ATOM 0 HG23 THR A 180 6.475 -10.212 10.381 1.00 5.11 H new ATOM 390 N SER A 181 2.283 -10.300 8.106 1.00 60.45 N ATOM 391 CA SER A 181 1.019 -10.683 7.632 1.00 31.14 C ATOM 392 C SER A 181 0.942 -12.192 7.720 1.00 34.35 C ATOM 393 O SER A 181 1.710 -12.894 7.062 1.00 34.04 O ATOM 394 CB SER A 181 0.878 -10.229 6.170 1.00 13.25 C ATOM 395 OG SER A 181 -0.401 -10.538 5.627 1.00 74.42 O ATOM 0 H SER A 181 3.040 -10.479 7.446 1.00 60.45 H new ATOM 0 HA SER A 181 0.219 -10.231 8.218 1.00 31.14 H new ATOM 0 HB2 SER A 181 1.046 -9.154 6.108 1.00 13.25 H new ATOM 0 HB3 SER A 181 1.651 -10.707 5.568 1.00 13.25 H new ATOM 0 HG SER A 181 -0.933 -9.718 5.556 1.00 74.42 H new ATOM 517 N LYS A 191 3.118 -16.533 8.258 1.00 31.23 N ATOM 518 CA LYS A 191 3.406 -15.163 8.557 1.00 64.41 C ATOM 519 C LYS A 191 4.589 -14.717 7.727 1.00 21.15 C ATOM 520 O LYS A 191 5.654 -15.353 7.755 1.00 20.34 O ATOM 521 CB LYS A 191 3.732 -15.020 10.033 1.00 71.42 C ATOM 522 CG LYS A 191 3.584 -13.648 10.565 1.00 42.13 C ATOM 523 CD LYS A 191 3.911 -13.578 12.056 1.00 14.53 C ATOM 524 CE LYS A 191 3.006 -14.480 12.882 1.00 64.43 C ATOM 525 NZ LYS A 191 3.244 -14.322 14.331 1.00 25.12 N ATOM 0 HA LYS A 191 2.539 -14.544 8.323 1.00 64.41 H new ATOM 0 HB2 LYS A 191 3.085 -15.688 10.601 1.00 71.42 H new ATOM 0 HB3 LYS A 191 4.757 -15.352 10.199 1.00 71.42 H new ATOM 0 HG2 LYS A 191 4.241 -12.973 10.017 1.00 42.13 H new ATOM 0 HG3 LYS A 191 2.563 -13.303 10.400 1.00 42.13 H new ATOM 0 HD2 LYS A 191 4.950 -13.866 12.213 1.00 14.53 H new ATOM 0 HD3 LYS A 191 3.810 -12.549 12.401 1.00 14.53 H new ATOM 0 HE2 LYS A 191 1.964 -14.251 12.658 1.00 64.43 H new ATOM 0 HE3 LYS A 191 3.172 -15.519 12.598 1.00 64.43 H new ATOM 0 HZ1 LYS A 191 2.608 -14.954 14.858 1.00 25.12 H new ATOM 0 HZ2 LYS A 191 4.232 -14.565 14.549 1.00 25.12 H new ATOM 0 HZ3 LYS A 191 3.061 -13.336 14.607 1.00 25.12 H new ATOM 539 N GLN A 192 4.420 -13.652 7.015 1.00 61.32 N ATOM 540 CA GLN A 192 5.449 -13.148 6.131 1.00 72.42 C ATOM 541 C GLN A 192 5.364 -11.627 6.133 1.00 74.02 C ATOM 542 O GLN A 192 4.367 -11.086 6.613 1.00 21.34 O ATOM 543 CB GLN A 192 5.229 -13.680 4.696 1.00 32.24 C ATOM 544 CG GLN A 192 4.072 -13.035 3.945 1.00 60.20 C ATOM 545 CD GLN A 192 3.894 -13.599 2.554 1.00 40.53 C ATOM 546 OE1 GLN A 192 4.149 -14.779 2.305 1.00 2.10 O ATOM 547 NE2 GLN A 192 3.539 -12.748 1.627 1.00 35.22 N ATOM 0 H GLN A 192 3.565 -13.096 7.022 1.00 61.32 H new ATOM 0 HA GLN A 192 6.430 -13.478 6.472 1.00 72.42 H new ATOM 0 HB2 GLN A 192 6.144 -13.529 4.124 1.00 32.24 H new ATOM 0 HB3 GLN A 192 5.057 -14.755 4.745 1.00 32.24 H new ATOM 0 HG2 GLN A 192 3.152 -13.178 4.511 1.00 60.20 H new ATOM 0 HG3 GLN A 192 4.241 -11.960 3.878 1.00 60.20 H new ATOM 0 HE21 GLN A 192 3.336 -11.779 1.874 1.00 35.22 H new ATOM 0 HE22 GLN A 192 3.465 -13.053 0.656 1.00 35.22 H new ATOM 555 N PRO A 193 6.392 -10.911 5.644 1.00 71.40 N ATOM 556 CA PRO A 193 6.331 -9.456 5.547 1.00 10.11 C ATOM 557 C PRO A 193 5.166 -8.996 4.663 1.00 12.41 C ATOM 558 O PRO A 193 4.939 -9.522 3.558 1.00 41.41 O ATOM 559 CB PRO A 193 7.672 -9.078 4.900 1.00 70.14 C ATOM 560 CG PRO A 193 8.567 -10.223 5.205 1.00 1.31 C ATOM 561 CD PRO A 193 7.690 -11.436 5.183 1.00 61.24 C ATOM 0 HA PRO A 193 6.170 -8.986 6.517 1.00 10.11 H new ATOM 0 HB2 PRO A 193 7.567 -8.932 3.825 1.00 70.14 H new ATOM 0 HB3 PRO A 193 8.063 -8.148 5.312 1.00 70.14 H new ATOM 0 HG2 PRO A 193 9.366 -10.303 4.468 1.00 1.31 H new ATOM 0 HG3 PRO A 193 9.042 -10.101 6.178 1.00 1.31 H new ATOM 0 HD2 PRO A 193 7.620 -11.866 4.184 1.00 61.24 H new ATOM 0 HD3 PRO A 193 8.066 -12.219 5.842 1.00 61.24 H new ATOM 569 N GLY A 194 4.438 -8.049 5.158 1.00 2.14 N ATOM 570 CA GLY A 194 3.335 -7.493 4.460 1.00 60.41 C ATOM 571 C GLY A 194 3.309 -6.025 4.652 1.00 34.24 C ATOM 572 O GLY A 194 3.656 -5.536 5.729 1.00 63.12 O ATOM 0 H GLY A 194 4.600 -7.635 6.076 1.00 2.14 H new ATOM 0 HA2 GLY A 194 3.408 -7.729 3.398 1.00 60.41 H new ATOM 0 HA3 GLY A 194 2.405 -7.933 4.821 1.00 60.41 H new ATOM 576 N ILE A 195 2.936 -5.312 3.640 1.00 23.23 N ATOM 577 CA ILE A 195 2.896 -3.892 3.725 1.00 14.11 C ATOM 578 C ILE A 195 1.472 -3.398 3.751 1.00 23.23 C ATOM 579 O ILE A 195 0.640 -3.832 2.972 1.00 50.22 O ATOM 580 CB ILE A 195 3.770 -3.172 2.634 1.00 24.32 C ATOM 581 CG1 ILE A 195 5.274 -3.413 2.887 1.00 75.04 C ATOM 582 CG2 ILE A 195 3.482 -1.679 2.554 1.00 2.21 C ATOM 583 CD1 ILE A 195 5.789 -4.795 2.528 1.00 71.11 C ATOM 0 H ILE A 195 2.653 -5.695 2.738 1.00 23.23 H new ATOM 0 HA ILE A 195 3.360 -3.619 4.673 1.00 14.11 H new ATOM 0 HB ILE A 195 3.497 -3.609 1.674 1.00 24.32 H new ATOM 0 HG12 ILE A 195 5.842 -2.675 2.320 1.00 75.04 H new ATOM 0 HG13 ILE A 195 5.480 -3.231 3.942 1.00 75.04 H new ATOM 0 HG21 ILE A 195 4.111 -1.228 1.786 1.00 2.21 H new ATOM 0 HG22 ILE A 195 2.433 -1.524 2.302 1.00 2.21 H new ATOM 0 HG23 ILE A 195 3.696 -1.215 3.517 1.00 2.21 H new ATOM 0 HD11 ILE A 195 6.855 -4.854 2.746 1.00 71.11 H new ATOM 0 HD12 ILE A 195 5.257 -5.545 3.114 1.00 71.11 H new ATOM 0 HD13 ILE A 195 5.625 -4.980 1.466 1.00 71.11 H new ATOM 590 N PHE A 196 1.209 -2.517 4.664 1.00 24.54 N ATOM 591 CA PHE A 196 -0.115 -1.989 4.895 1.00 51.21 C ATOM 592 C PHE A 196 -0.036 -0.476 4.812 1.00 24.43 C ATOM 593 O PHE A 196 1.067 0.097 4.803 1.00 70.44 O ATOM 594 CB PHE A 196 -0.592 -2.372 6.318 1.00 71.22 C ATOM 595 CG PHE A 196 -0.552 -3.849 6.662 1.00 14.24 C ATOM 596 CD1 PHE A 196 0.649 -4.464 7.010 1.00 64.11 C ATOM 597 CD2 PHE A 196 -1.704 -4.612 6.652 1.00 75.22 C ATOM 598 CE1 PHE A 196 0.698 -5.806 7.329 1.00 4.20 C ATOM 599 CE2 PHE A 196 -1.666 -5.957 6.978 1.00 14.14 C ATOM 600 CZ PHE A 196 -0.460 -6.553 7.315 1.00 5.23 C ATOM 0 H PHE A 196 1.918 -2.131 5.287 1.00 24.54 H new ATOM 0 HA PHE A 196 -0.808 -2.392 4.157 1.00 51.21 H new ATOM 0 HB2 PHE A 196 0.022 -1.835 7.041 1.00 71.22 H new ATOM 0 HB3 PHE A 196 -1.615 -2.018 6.443 1.00 71.22 H new ATOM 0 HD1 PHE A 196 1.557 -3.880 7.030 1.00 64.11 H new ATOM 0 HD2 PHE A 196 -2.645 -4.154 6.387 1.00 75.22 H new ATOM 0 HE1 PHE A 196 1.639 -6.268 7.588 1.00 4.20 H new ATOM 0 HE2 PHE A 196 -2.574 -6.541 6.970 1.00 14.14 H new ATOM 0 HZ PHE A 196 -0.428 -7.603 7.567 1.00 5.23 H new ATOM 610 N ILE A 197 -1.167 0.159 4.749 1.00 44.31 N ATOM 611 CA ILE A 197 -1.239 1.603 4.775 1.00 34.42 C ATOM 612 C ILE A 197 -1.032 2.070 6.233 1.00 0.24 C ATOM 613 O ILE A 197 -1.595 1.510 7.154 1.00 71.35 O ATOM 614 CB ILE A 197 -2.602 2.116 4.236 1.00 75.43 C ATOM 615 CG1 ILE A 197 -2.846 1.635 2.787 1.00 62.14 C ATOM 616 CG2 ILE A 197 -2.697 3.645 4.314 1.00 64.24 C ATOM 617 CD1 ILE A 197 -1.858 2.154 1.766 1.00 73.50 C ATOM 0 H ILE A 197 -2.073 -0.304 4.678 1.00 44.31 H new ATOM 0 HA ILE A 197 -0.463 2.012 4.128 1.00 34.42 H new ATOM 0 HB ILE A 197 -3.380 1.696 4.874 1.00 75.43 H new ATOM 0 HG12 ILE A 197 -2.821 0.545 2.773 1.00 62.14 H new ATOM 0 HG13 ILE A 197 -3.849 1.935 2.485 1.00 62.14 H new ATOM 0 HG21 ILE A 197 -3.664 3.970 3.929 1.00 64.24 H new ATOM 0 HG22 ILE A 197 -2.594 3.963 5.351 1.00 64.24 H new ATOM 0 HG23 ILE A 197 -1.901 4.090 3.717 1.00 64.24 H new ATOM 0 HD11 ILE A 197 -2.112 1.762 0.781 1.00 73.50 H new ATOM 0 HD12 ILE A 197 -1.896 3.243 1.744 1.00 73.50 H new ATOM 0 HD13 ILE A 197 -0.852 1.832 2.036 1.00 73.50 H new ATOM 624 N SER A 198 -0.179 3.017 6.436 1.00 12.33 N ATOM 625 CA SER A 198 0.105 3.499 7.773 1.00 52.31 C ATOM 626 C SER A 198 -0.539 4.852 8.082 1.00 22.03 C ATOM 627 O SER A 198 -1.042 5.066 9.189 1.00 15.43 O ATOM 628 CB SER A 198 1.619 3.491 8.029 1.00 35.01 C ATOM 629 OG SER A 198 1.999 4.217 9.169 1.00 23.43 O ATOM 0 H SER A 198 0.344 3.485 5.696 1.00 12.33 H new ATOM 0 HA SER A 198 -0.362 2.807 8.474 1.00 52.31 H new ATOM 0 HB2 SER A 198 1.956 2.460 8.136 1.00 35.01 H new ATOM 0 HB3 SER A 198 2.129 3.904 7.159 1.00 35.01 H new ATOM 0 HG SER A 198 2.972 4.171 9.277 1.00 23.43 H new ATOM 635 N ARG A 199 -0.564 5.740 7.127 1.00 52.42 N ATOM 636 CA ARG A 199 -1.108 7.058 7.378 1.00 61.13 C ATOM 637 C ARG A 199 -1.692 7.621 6.113 1.00 32.22 C ATOM 638 O ARG A 199 -1.143 7.409 5.027 1.00 62.53 O ATOM 639 CB ARG A 199 -0.031 7.991 7.976 1.00 4.32 C ATOM 640 CG ARG A 199 -0.567 9.336 8.453 1.00 34.25 C ATOM 641 CD ARG A 199 0.481 10.120 9.226 1.00 45.44 C ATOM 642 NE ARG A 199 1.532 10.699 8.378 1.00 72.01 N ATOM 643 CZ ARG A 199 2.847 10.653 8.635 1.00 62.52 C ATOM 644 NH1 ARG A 199 3.333 9.808 9.532 1.00 53.15 N ATOM 645 NH2 ARG A 199 3.675 11.434 7.970 1.00 62.32 N ATOM 0 H ARG A 199 -0.221 5.585 6.179 1.00 52.42 H new ATOM 0 HA ARG A 199 -1.909 6.978 8.113 1.00 61.13 H new ATOM 0 HB2 ARG A 199 0.448 7.485 8.814 1.00 4.32 H new ATOM 0 HB3 ARG A 199 0.741 8.165 7.226 1.00 4.32 H new ATOM 0 HG2 ARG A 199 -0.898 9.920 7.594 1.00 34.25 H new ATOM 0 HG3 ARG A 199 -1.440 9.176 9.085 1.00 34.25 H new ATOM 0 HD2 ARG A 199 -0.011 10.921 9.777 1.00 45.44 H new ATOM 0 HD3 ARG A 199 0.943 9.463 9.963 1.00 45.44 H new ATOM 0 HE ARG A 199 1.237 11.174 7.525 1.00 72.01 H new ATOM 0 HH11 ARG A 199 2.705 9.182 10.036 1.00 53.15 H new ATOM 0 HH12 ARG A 199 4.336 9.783 9.718 1.00 53.15 H new ATOM 0 HH21 ARG A 199 3.315 12.073 7.261 1.00 62.32 H new ATOM 0 HH22 ARG A 199 4.676 11.400 8.165 1.00 62.32 H new ATOM 657 N LEU A 200 -2.796 8.309 6.249 1.00 60.21 N ATOM 658 CA LEU A 200 -3.498 8.872 5.128 1.00 34.23 C ATOM 659 C LEU A 200 -3.302 10.389 5.175 1.00 12.15 C ATOM 660 O LEU A 200 -3.438 11.000 6.242 1.00 51.05 O ATOM 661 CB LEU A 200 -4.987 8.532 5.267 1.00 15.34 C ATOM 662 CG LEU A 200 -5.715 8.087 4.001 1.00 64.41 C ATOM 663 CD1 LEU A 200 -7.176 7.830 4.301 1.00 40.24 C ATOM 664 CD2 LEU A 200 -5.562 9.089 2.870 1.00 53.23 C ATOM 0 H LEU A 200 -3.236 8.495 7.150 1.00 60.21 H new ATOM 0 HA LEU A 200 -3.126 8.476 4.183 1.00 34.23 H new ATOM 0 HB2 LEU A 200 -5.086 7.742 6.011 1.00 15.34 H new ATOM 0 HB3 LEU A 200 -5.500 9.409 5.663 1.00 15.34 H new ATOM 0 HG LEU A 200 -5.254 7.158 3.665 1.00 64.41 H new ATOM 0 HD11 LEU A 200 -7.684 7.513 3.390 1.00 40.24 H new ATOM 0 HD12 LEU A 200 -7.260 7.047 5.055 1.00 40.24 H new ATOM 0 HD13 LEU A 200 -7.637 8.744 4.675 1.00 40.24 H new ATOM 0 HD21 LEU A 200 -6.097 8.730 1.991 1.00 53.23 H new ATOM 0 HD22 LEU A 200 -5.974 10.050 3.177 1.00 53.23 H new ATOM 0 HD23 LEU A 200 -4.506 9.207 2.629 1.00 53.23 H new ATOM 672 N VAL A 201 -2.978 10.991 4.056 1.00 1.13 N ATOM 673 CA VAL A 201 -2.721 12.419 4.029 1.00 45.52 C ATOM 674 C VAL A 201 -3.831 13.156 3.271 1.00 64.14 C ATOM 675 O VAL A 201 -4.228 12.738 2.168 1.00 55.04 O ATOM 676 CB VAL A 201 -1.350 12.731 3.367 1.00 73.11 C ATOM 677 CG1 VAL A 201 -1.025 14.215 3.419 1.00 32.11 C ATOM 678 CG2 VAL A 201 -0.249 11.934 4.018 1.00 53.42 C ATOM 0 H VAL A 201 -2.885 10.522 3.155 1.00 1.13 H new ATOM 0 HA VAL A 201 -2.699 12.766 5.062 1.00 45.52 H new ATOM 0 HB VAL A 201 -1.423 12.441 2.319 1.00 73.11 H new ATOM 0 HG11 VAL A 201 -0.059 14.393 2.946 1.00 32.11 H new ATOM 0 HG12 VAL A 201 -1.796 14.775 2.890 1.00 32.11 H new ATOM 0 HG13 VAL A 201 -0.986 14.543 4.458 1.00 32.11 H new ATOM 0 HG21 VAL A 201 0.702 12.168 3.539 1.00 53.42 H new ATOM 0 HG22 VAL A 201 -0.194 12.187 5.077 1.00 53.42 H new ATOM 0 HG23 VAL A 201 -0.457 10.870 3.910 1.00 53.42 H new ATOM 684 N PRO A 202 -4.367 14.241 3.863 1.00 41.33 N ATOM 685 CA PRO A 202 -5.379 15.073 3.218 1.00 55.54 C ATOM 686 C PRO A 202 -4.856 15.695 1.916 1.00 43.31 C ATOM 687 O PRO A 202 -3.715 16.194 1.856 1.00 42.23 O ATOM 688 CB PRO A 202 -5.677 16.170 4.257 1.00 53.42 C ATOM 689 CG PRO A 202 -4.517 16.150 5.189 1.00 2.41 C ATOM 690 CD PRO A 202 -4.037 14.733 5.217 1.00 13.34 C ATOM 0 HA PRO A 202 -6.261 14.498 2.937 1.00 55.54 H new ATOM 0 HB2 PRO A 202 -5.783 17.145 3.781 1.00 53.42 H new ATOM 0 HB3 PRO A 202 -6.610 15.970 4.785 1.00 53.42 H new ATOM 0 HG2 PRO A 202 -3.730 16.822 4.847 1.00 2.41 H new ATOM 0 HG3 PRO A 202 -4.810 16.483 6.185 1.00 2.41 H new ATOM 0 HD2 PRO A 202 -2.967 14.674 5.418 1.00 13.34 H new ATOM 0 HD3 PRO A 202 -4.539 14.152 5.991 1.00 13.34 H new ATOM 698 N GLY A 203 -5.676 15.644 0.886 1.00 23.30 N ATOM 699 CA GLY A 203 -5.304 16.189 -0.403 1.00 72.32 C ATOM 700 C GLY A 203 -4.538 15.198 -1.256 1.00 31.32 C ATOM 701 O GLY A 203 -4.139 15.512 -2.379 1.00 3.44 O ATOM 0 H GLY A 203 -6.607 15.229 0.917 1.00 23.30 H new ATOM 0 HA2 GLY A 203 -6.203 16.501 -0.934 1.00 72.32 H new ATOM 0 HA3 GLY A 203 -4.696 17.081 -0.254 1.00 72.32 H new ATOM 705 N GLY A 204 -4.335 14.008 -0.733 1.00 53.05 N ATOM 706 CA GLY A 204 -3.596 13.007 -1.456 1.00 55.04 C ATOM 707 C GLY A 204 -4.476 12.177 -2.356 1.00 41.13 C ATOM 708 O GLY A 204 -5.702 12.239 -2.261 1.00 74.22 O ATOM 0 H GLY A 204 -4.671 13.715 0.185 1.00 53.05 H new ATOM 0 HA2 GLY A 204 -2.824 13.491 -2.054 1.00 55.04 H new ATOM 0 HA3 GLY A 204 -3.087 12.353 -0.748 1.00 55.04 H new ATOM 712 N LEU A 205 -3.853 11.373 -3.200 1.00 4.11 N ATOM 713 CA LEU A 205 -4.545 10.524 -4.131 1.00 72.42 C ATOM 714 C LEU A 205 -5.326 9.452 -3.396 1.00 13.42 C ATOM 715 O LEU A 205 -6.422 9.056 -3.822 1.00 74.42 O ATOM 716 CB LEU A 205 -3.564 9.887 -5.132 1.00 14.21 C ATOM 717 CG LEU A 205 -2.937 10.800 -6.214 1.00 71.55 C ATOM 718 CD1 LEU A 205 -4.009 11.460 -7.053 1.00 34.15 C ATOM 719 CD2 LEU A 205 -1.991 11.841 -5.630 1.00 33.31 C ATOM 0 H LEU A 205 -2.837 11.297 -3.252 1.00 4.11 H new ATOM 0 HA LEU A 205 -5.247 11.141 -4.692 1.00 72.42 H new ATOM 0 HB2 LEU A 205 -2.751 9.437 -4.563 1.00 14.21 H new ATOM 0 HB3 LEU A 205 -4.085 9.076 -5.640 1.00 14.21 H new ATOM 0 HG LEU A 205 -2.338 10.155 -6.856 1.00 71.55 H new ATOM 0 HD11 LEU A 205 -3.542 12.096 -7.805 1.00 34.15 H new ATOM 0 HD12 LEU A 205 -4.608 10.694 -7.546 1.00 34.15 H new ATOM 0 HD13 LEU A 205 -4.650 12.066 -6.413 1.00 34.15 H new ATOM 0 HD21 LEU A 205 -1.581 12.452 -6.434 1.00 33.31 H new ATOM 0 HD22 LEU A 205 -2.536 12.477 -4.932 1.00 33.31 H new ATOM 0 HD23 LEU A 205 -1.178 11.340 -5.105 1.00 33.31 H new ATOM 727 N ALA A 206 -4.770 9.001 -2.282 1.00 62.41 N ATOM 728 CA ALA A 206 -5.433 8.022 -1.440 1.00 4.32 C ATOM 729 C ALA A 206 -6.754 8.582 -0.905 1.00 23.22 C ATOM 730 O ALA A 206 -7.778 7.885 -0.885 1.00 31.12 O ATOM 731 CB ALA A 206 -4.516 7.588 -0.301 1.00 44.44 C ATOM 0 H ALA A 206 -3.857 9.300 -1.940 1.00 62.41 H new ATOM 0 HA ALA A 206 -5.660 7.142 -2.041 1.00 4.32 H new ATOM 0 HB1 ALA A 206 -5.030 6.854 0.320 1.00 44.44 H new ATOM 0 HB2 ALA A 206 -3.609 7.144 -0.713 1.00 44.44 H new ATOM 0 HB3 ALA A 206 -4.253 8.455 0.305 1.00 44.44 H new ATOM 737 N GLU A 207 -6.729 9.847 -0.506 1.00 51.21 N ATOM 738 CA GLU A 207 -7.910 10.523 0.002 1.00 31.04 C ATOM 739 C GLU A 207 -8.851 10.885 -1.152 1.00 4.52 C ATOM 740 O GLU A 207 -10.069 10.870 -0.999 1.00 3.22 O ATOM 741 CB GLU A 207 -7.526 11.783 0.780 1.00 13.24 C ATOM 742 CG GLU A 207 -8.716 12.492 1.399 1.00 75.33 C ATOM 743 CD GLU A 207 -8.345 13.760 2.099 1.00 10.25 C ATOM 744 OE1 GLU A 207 -8.230 14.817 1.426 1.00 61.21 O ATOM 745 OE2 GLU A 207 -8.164 13.730 3.327 1.00 74.13 O ATOM 0 H GLU A 207 -5.892 10.429 -0.526 1.00 51.21 H new ATOM 0 HA GLU A 207 -8.424 9.843 0.681 1.00 31.04 H new ATOM 0 HB2 GLU A 207 -6.822 11.515 1.568 1.00 13.24 H new ATOM 0 HB3 GLU A 207 -7.009 12.471 0.111 1.00 13.24 H new ATOM 0 HG2 GLU A 207 -9.445 12.714 0.619 1.00 75.33 H new ATOM 0 HG3 GLU A 207 -9.202 11.822 2.108 1.00 75.33 H new ATOM 752 N SER A 208 -8.257 11.195 -2.299 1.00 14.22 N ATOM 753 CA SER A 208 -8.977 11.580 -3.505 1.00 5.54 C ATOM 754 C SER A 208 -9.986 10.503 -3.910 1.00 2.32 C ATOM 755 O SER A 208 -11.162 10.803 -4.148 1.00 2.12 O ATOM 756 CB SER A 208 -7.967 11.852 -4.646 1.00 51.24 C ATOM 757 OG SER A 208 -8.606 12.253 -5.853 1.00 32.33 O ATOM 0 H SER A 208 -7.244 11.185 -2.418 1.00 14.22 H new ATOM 0 HA SER A 208 -9.539 12.493 -3.305 1.00 5.54 H new ATOM 0 HB2 SER A 208 -7.269 12.628 -4.332 1.00 51.24 H new ATOM 0 HB3 SER A 208 -7.380 10.952 -4.830 1.00 51.24 H new ATOM 0 HG SER A 208 -7.929 12.415 -6.543 1.00 32.33 H new ATOM 763 N THR A 209 -9.546 9.260 -3.983 1.00 44.34 N ATOM 764 CA THR A 209 -10.467 8.194 -4.295 1.00 70.30 C ATOM 765 C THR A 209 -11.245 7.806 -3.040 1.00 75.33 C ATOM 766 O THR A 209 -12.362 7.310 -3.124 1.00 14.45 O ATOM 767 CB THR A 209 -9.764 6.948 -4.920 1.00 75.14 C ATOM 768 OG1 THR A 209 -10.734 5.955 -5.263 1.00 31.21 O ATOM 769 CG2 THR A 209 -8.736 6.346 -3.971 1.00 21.33 C ATOM 0 H THR A 209 -8.579 8.972 -3.834 1.00 44.34 H new ATOM 0 HA THR A 209 -11.155 8.567 -5.053 1.00 70.30 H new ATOM 0 HB THR A 209 -9.244 7.282 -5.818 1.00 75.14 H new ATOM 0 HG1 THR A 209 -10.308 5.252 -5.797 1.00 31.21 H new ATOM 0 HG21 THR A 209 -8.269 5.481 -4.442 1.00 21.33 H new ATOM 0 HG22 THR A 209 -7.974 7.090 -3.741 1.00 21.33 H new ATOM 0 HG23 THR A 209 -9.229 6.035 -3.050 1.00 21.33 H new ATOM 775 N GLY A 210 -10.631 8.055 -1.880 1.00 35.54 N ATOM 776 CA GLY A 210 -11.253 7.759 -0.609 1.00 50.52 C ATOM 777 C GLY A 210 -11.456 6.284 -0.396 1.00 42.33 C ATOM 778 O GLY A 210 -12.305 5.875 0.399 1.00 40.32 O ATOM 0 H GLY A 210 -9.699 8.463 -1.807 1.00 35.54 H new ATOM 0 HA2 GLY A 210 -10.635 8.157 0.196 1.00 50.52 H new ATOM 0 HA3 GLY A 210 -12.216 8.267 -0.552 1.00 50.52 H new ATOM 782 N LEU A 211 -10.677 5.475 -1.088 1.00 24.33 N ATOM 783 CA LEU A 211 -10.845 4.053 -0.986 1.00 52.52 C ATOM 784 C LEU A 211 -9.676 3.386 -0.290 1.00 41.14 C ATOM 785 O LEU A 211 -9.640 2.171 -0.141 1.00 1.43 O ATOM 786 CB LEU A 211 -11.248 3.403 -2.350 1.00 45.13 C ATOM 787 CG LEU A 211 -10.260 3.312 -3.527 1.00 61.22 C ATOM 788 CD1 LEU A 211 -9.058 2.437 -3.214 1.00 35.01 C ATOM 789 CD2 LEU A 211 -11.011 2.767 -4.732 1.00 53.52 C ATOM 0 H LEU A 211 -9.934 5.780 -1.716 1.00 24.33 H new ATOM 0 HA LEU A 211 -11.698 3.871 -0.332 1.00 52.52 H new ATOM 0 HB2 LEU A 211 -11.573 2.386 -2.131 1.00 45.13 H new ATOM 0 HB3 LEU A 211 -12.121 3.945 -2.712 1.00 45.13 H new ATOM 0 HG LEU A 211 -9.868 4.309 -3.730 1.00 61.22 H new ATOM 0 HD11 LEU A 211 -8.394 2.408 -4.078 1.00 35.01 H new ATOM 0 HD12 LEU A 211 -8.522 2.848 -2.358 1.00 35.01 H new ATOM 0 HD13 LEU A 211 -9.394 1.427 -2.981 1.00 35.01 H new ATOM 0 HD21 LEU A 211 -10.332 2.693 -5.581 1.00 53.52 H new ATOM 0 HD22 LEU A 211 -11.408 1.779 -4.497 1.00 53.52 H new ATOM 0 HD23 LEU A 211 -11.833 3.438 -4.982 1.00 53.52 H new ATOM 797 N LEU A 212 -8.750 4.188 0.179 1.00 32.20 N ATOM 798 CA LEU A 212 -7.617 3.666 0.906 1.00 23.01 C ATOM 799 C LEU A 212 -7.769 4.027 2.356 1.00 1.10 C ATOM 800 O LEU A 212 -8.110 5.164 2.689 1.00 22.22 O ATOM 801 CB LEU A 212 -6.280 4.238 0.360 1.00 22.15 C ATOM 802 CG LEU A 212 -5.827 3.757 -1.030 1.00 72.33 C ATOM 803 CD1 LEU A 212 -4.535 4.442 -1.462 1.00 14.22 C ATOM 804 CD2 LEU A 212 -5.586 2.289 -0.986 1.00 44.31 C ATOM 0 H LEU A 212 -8.758 5.202 0.071 1.00 32.20 H new ATOM 0 HA LEU A 212 -7.589 2.583 0.783 1.00 23.01 H new ATOM 0 HB2 LEU A 212 -6.364 5.324 0.331 1.00 22.15 H new ATOM 0 HB3 LEU A 212 -5.493 3.998 1.074 1.00 22.15 H new ATOM 0 HG LEU A 212 -6.613 4.004 -1.744 1.00 72.33 H new ATOM 0 HD11 LEU A 212 -4.243 4.080 -2.448 1.00 14.22 H new ATOM 0 HD12 LEU A 212 -4.691 5.520 -1.503 1.00 14.22 H new ATOM 0 HD13 LEU A 212 -3.746 4.217 -0.744 1.00 14.22 H new ATOM 0 HD21 LEU A 212 -5.265 1.943 -1.969 1.00 44.31 H new ATOM 0 HD22 LEU A 212 -4.810 2.069 -0.253 1.00 44.31 H new ATOM 0 HD23 LEU A 212 -6.506 1.777 -0.704 1.00 44.31 H new ATOM 812 N ALA A 213 -7.560 3.065 3.199 1.00 63.03 N ATOM 813 CA ALA A 213 -7.612 3.240 4.617 1.00 54.41 C ATOM 814 C ALA A 213 -6.385 2.607 5.197 1.00 63.03 C ATOM 815 O ALA A 213 -5.720 1.836 4.520 1.00 1.12 O ATOM 816 CB ALA A 213 -8.872 2.621 5.205 1.00 41.24 C ATOM 0 H ALA A 213 -7.343 2.111 2.912 1.00 63.03 H new ATOM 0 HA ALA A 213 -7.643 4.302 4.860 1.00 54.41 H new ATOM 0 HB1 ALA A 213 -8.881 2.771 6.285 1.00 41.24 H new ATOM 0 HB2 ALA A 213 -9.750 3.095 4.765 1.00 41.24 H new ATOM 0 HB3 ALA A 213 -8.889 1.553 4.987 1.00 41.24 H new ATOM 822 N VAL A 214 -6.088 2.906 6.428 1.00 54.13 N ATOM 823 CA VAL A 214 -4.915 2.390 7.064 1.00 43.54 C ATOM 824 C VAL A 214 -4.942 0.848 7.258 1.00 23.05 C ATOM 825 O VAL A 214 -3.905 0.197 7.314 1.00 63.22 O ATOM 826 CB VAL A 214 -4.509 3.183 8.324 1.00 54.15 C ATOM 827 CG1 VAL A 214 -4.327 4.665 7.967 1.00 4.23 C ATOM 828 CG2 VAL A 214 -5.494 3.008 9.460 1.00 71.30 C ATOM 0 H VAL A 214 -6.654 3.515 7.018 1.00 54.13 H new ATOM 0 HA VAL A 214 -4.100 2.557 6.359 1.00 43.54 H new ATOM 0 HB VAL A 214 -3.560 2.782 8.680 1.00 54.15 H new ATOM 0 HG11 VAL A 214 -4.040 5.222 8.859 1.00 4.23 H new ATOM 0 HG12 VAL A 214 -3.548 4.764 7.211 1.00 4.23 H new ATOM 0 HG13 VAL A 214 -5.264 5.063 7.576 1.00 4.23 H new ATOM 0 HG21 VAL A 214 -5.162 3.586 10.322 1.00 71.30 H new ATOM 0 HG22 VAL A 214 -6.478 3.357 9.146 1.00 71.30 H new ATOM 0 HG23 VAL A 214 -5.553 1.954 9.731 1.00 71.30 H new ATOM 834 N ASN A 215 -6.129 0.284 7.396 1.00 11.15 N ATOM 835 CA ASN A 215 -6.265 -1.185 7.556 1.00 12.41 C ATOM 836 C ASN A 215 -5.994 -1.932 6.226 1.00 34.14 C ATOM 837 O ASN A 215 -5.819 -3.157 6.221 1.00 22.20 O ATOM 838 CB ASN A 215 -7.655 -1.602 8.097 1.00 13.24 C ATOM 839 CG ASN A 215 -8.791 -1.439 7.092 1.00 41.32 C ATOM 840 OD1 ASN A 215 -9.095 -2.362 6.327 1.00 0.42 O ATOM 841 ND2 ASN A 215 -9.438 -0.297 7.099 1.00 41.31 N ATOM 0 H ASN A 215 -7.011 0.797 7.403 1.00 11.15 H new ATOM 0 HA ASN A 215 -5.513 -1.469 8.292 1.00 12.41 H new ATOM 0 HB2 ASN A 215 -7.612 -2.644 8.414 1.00 13.24 H new ATOM 0 HB3 ASN A 215 -7.881 -1.009 8.983 1.00 13.24 H new ATOM 0 HD21 ASN A 215 -10.219 -0.149 6.460 1.00 41.31 H new ATOM 0 HD22 ASN A 215 -9.160 0.443 7.744 1.00 41.31 H new ATOM 847 N ASP A 216 -5.997 -1.197 5.107 1.00 20.03 N ATOM 848 CA ASP A 216 -5.762 -1.787 3.781 1.00 62.33 C ATOM 849 C ASP A 216 -4.339 -2.319 3.635 1.00 43.24 C ATOM 850 O ASP A 216 -3.357 -1.638 3.973 1.00 42.45 O ATOM 851 CB ASP A 216 -6.103 -0.813 2.626 1.00 14.32 C ATOM 852 CG ASP A 216 -7.597 -0.560 2.433 1.00 45.11 C ATOM 853 OD1 ASP A 216 -8.181 0.254 3.175 1.00 10.13 O ATOM 854 OD2 ASP A 216 -8.199 -1.148 1.506 1.00 14.02 O ATOM 0 H ASP A 216 -6.160 -0.190 5.093 1.00 20.03 H new ATOM 0 HA ASP A 216 -6.447 -2.632 3.706 1.00 62.33 H new ATOM 0 HB2 ASP A 216 -5.607 0.140 2.812 1.00 14.32 H new ATOM 0 HB3 ASP A 216 -5.692 -1.211 1.698 1.00 14.32 H new ATOM 859 N GLU A 217 -4.249 -3.537 3.141 1.00 53.53 N ATOM 860 CA GLU A 217 -2.991 -4.238 2.947 1.00 4.33 C ATOM 861 C GLU A 217 -2.616 -4.289 1.475 1.00 52.20 C ATOM 862 O GLU A 217 -3.437 -4.662 0.635 1.00 43.43 O ATOM 863 CB GLU A 217 -3.102 -5.651 3.516 1.00 31.40 C ATOM 864 CG GLU A 217 -1.904 -6.549 3.260 1.00 60.40 C ATOM 865 CD GLU A 217 -2.122 -7.933 3.793 1.00 54.15 C ATOM 866 OE1 GLU A 217 -3.051 -8.608 3.335 1.00 74.34 O ATOM 867 OE2 GLU A 217 -1.369 -8.379 4.655 1.00 71.23 O ATOM 0 H GLU A 217 -5.064 -4.081 2.857 1.00 53.53 H new ATOM 0 HA GLU A 217 -2.205 -3.696 3.473 1.00 4.33 H new ATOM 0 HB2 GLU A 217 -3.259 -5.580 4.592 1.00 31.40 H new ATOM 0 HB3 GLU A 217 -3.988 -6.126 3.095 1.00 31.40 H new ATOM 0 HG2 GLU A 217 -1.709 -6.599 2.189 1.00 60.40 H new ATOM 0 HG3 GLU A 217 -1.019 -6.116 3.725 1.00 60.40 H new ATOM 874 N VAL A 218 -1.379 -3.957 1.185 1.00 45.22 N ATOM 875 CA VAL A 218 -0.874 -3.888 -0.166 1.00 52.14 C ATOM 876 C VAL A 218 -0.487 -5.287 -0.672 1.00 54.30 C ATOM 877 O VAL A 218 0.256 -6.023 -0.019 1.00 5.40 O ATOM 878 CB VAL A 218 0.359 -2.934 -0.258 1.00 41.11 C ATOM 879 CG1 VAL A 218 0.802 -2.752 -1.698 1.00 25.20 C ATOM 880 CG2 VAL A 218 0.054 -1.582 0.380 1.00 74.10 C ATOM 0 H VAL A 218 -0.684 -3.723 1.894 1.00 45.22 H new ATOM 0 HA VAL A 218 -1.669 -3.489 -0.796 1.00 52.14 H new ATOM 0 HB VAL A 218 1.176 -3.397 0.295 1.00 41.11 H new ATOM 0 HG11 VAL A 218 1.662 -2.083 -1.732 1.00 25.20 H new ATOM 0 HG12 VAL A 218 1.077 -3.719 -2.119 1.00 25.20 H new ATOM 0 HG13 VAL A 218 -0.015 -2.323 -2.278 1.00 25.20 H new ATOM 0 HG21 VAL A 218 0.929 -0.937 0.302 1.00 74.10 H new ATOM 0 HG22 VAL A 218 -0.786 -1.117 -0.136 1.00 74.10 H new ATOM 0 HG23 VAL A 218 -0.199 -1.724 1.431 1.00 74.10 H new ATOM 886 N ILE A 219 -1.017 -5.635 -1.817 1.00 71.35 N ATOM 887 CA ILE A 219 -0.775 -6.906 -2.457 1.00 5.44 C ATOM 888 C ILE A 219 0.301 -6.771 -3.554 1.00 53.04 C ATOM 889 O ILE A 219 1.274 -7.539 -3.583 1.00 70.44 O ATOM 890 CB ILE A 219 -2.102 -7.501 -3.048 1.00 22.24 C ATOM 891 CG1 ILE A 219 -3.109 -7.810 -1.925 1.00 24.25 C ATOM 892 CG2 ILE A 219 -1.840 -8.760 -3.860 1.00 33.10 C ATOM 893 CD1 ILE A 219 -2.587 -8.789 -0.905 1.00 70.31 C ATOM 0 H ILE A 219 -1.645 -5.028 -2.344 1.00 71.35 H new ATOM 0 HA ILE A 219 -0.405 -7.598 -1.700 1.00 5.44 H new ATOM 0 HB ILE A 219 -2.524 -6.747 -3.712 1.00 22.24 H new ATOM 0 HG12 ILE A 219 -3.377 -6.881 -1.422 1.00 24.25 H new ATOM 0 HG13 ILE A 219 -4.023 -8.209 -2.366 1.00 24.25 H new ATOM 0 HG21 ILE A 219 -2.782 -9.142 -4.253 1.00 33.10 H new ATOM 0 HG22 ILE A 219 -1.170 -8.526 -4.688 1.00 33.10 H new ATOM 0 HG23 ILE A 219 -1.380 -9.515 -3.223 1.00 33.10 H new ATOM 0 HD11 ILE A 219 -3.347 -8.961 -0.143 1.00 70.31 H new ATOM 0 HD12 ILE A 219 -2.345 -9.732 -1.396 1.00 70.31 H new ATOM 0 HD13 ILE A 219 -1.690 -8.383 -0.437 1.00 70.31 H new ATOM 900 N GLU A 220 0.146 -5.785 -4.428 1.00 24.53 N ATOM 901 CA GLU A 220 1.096 -5.577 -5.515 1.00 14.13 C ATOM 902 C GLU A 220 1.125 -4.112 -5.932 1.00 43.35 C ATOM 903 O GLU A 220 0.169 -3.363 -5.672 1.00 33.01 O ATOM 904 CB GLU A 220 0.763 -6.482 -6.727 1.00 75.33 C ATOM 905 CG GLU A 220 -0.572 -6.236 -7.371 1.00 35.41 C ATOM 906 CD GLU A 220 -0.828 -7.152 -8.540 1.00 63.42 C ATOM 907 OE1 GLU A 220 -1.296 -8.286 -8.326 1.00 43.14 O ATOM 908 OE2 GLU A 220 -0.600 -6.752 -9.687 1.00 32.13 O ATOM 0 H GLU A 220 -0.626 -5.118 -4.407 1.00 24.53 H new ATOM 0 HA GLU A 220 2.086 -5.851 -5.152 1.00 14.13 H new ATOM 0 HB2 GLU A 220 1.540 -6.351 -7.480 1.00 75.33 H new ATOM 0 HB3 GLU A 220 0.805 -7.522 -6.404 1.00 75.33 H new ATOM 0 HG2 GLU A 220 -1.359 -6.370 -6.629 1.00 35.41 H new ATOM 0 HG3 GLU A 220 -0.624 -5.200 -7.707 1.00 35.41 H new ATOM 915 N VAL A 221 2.215 -3.713 -6.565 1.00 44.01 N ATOM 916 CA VAL A 221 2.401 -2.367 -7.063 1.00 0.13 C ATOM 917 C VAL A 221 2.742 -2.428 -8.570 1.00 4.01 C ATOM 918 O VAL A 221 3.624 -3.172 -8.987 1.00 73.21 O ATOM 919 CB VAL A 221 3.498 -1.572 -6.250 1.00 71.35 C ATOM 920 CG1 VAL A 221 4.841 -2.231 -6.313 1.00 13.20 C ATOM 921 CG2 VAL A 221 3.594 -0.128 -6.708 1.00 54.01 C ATOM 0 H VAL A 221 3.007 -4.328 -6.749 1.00 44.01 H new ATOM 0 HA VAL A 221 1.471 -1.815 -6.926 1.00 0.13 H new ATOM 0 HB VAL A 221 3.175 -1.582 -5.209 1.00 71.35 H new ATOM 0 HG11 VAL A 221 5.560 -1.647 -5.739 1.00 13.20 H new ATOM 0 HG12 VAL A 221 4.773 -3.235 -5.895 1.00 13.20 H new ATOM 0 HG13 VAL A 221 5.168 -2.291 -7.351 1.00 13.20 H new ATOM 0 HG21 VAL A 221 4.358 0.388 -6.127 1.00 54.01 H new ATOM 0 HG22 VAL A 221 3.860 -0.098 -7.765 1.00 54.01 H new ATOM 0 HG23 VAL A 221 2.633 0.365 -6.562 1.00 54.01 H new ATOM 927 N ASN A 222 1.963 -1.700 -9.369 1.00 61.31 N ATOM 928 CA ASN A 222 2.055 -1.612 -10.863 1.00 63.44 C ATOM 929 C ASN A 222 1.582 -2.883 -11.547 1.00 72.13 C ATOM 930 O ASN A 222 0.985 -2.858 -12.625 1.00 12.41 O ATOM 931 CB ASN A 222 3.454 -1.239 -11.358 1.00 14.34 C ATOM 932 CG ASN A 222 3.420 -0.852 -12.829 1.00 53.13 C ATOM 933 OD1 ASN A 222 3.572 -1.680 -13.722 1.00 25.33 O ATOM 934 ND2 ASN A 222 3.218 0.418 -13.083 1.00 13.03 N ATOM 0 H ASN A 222 1.210 -1.122 -8.996 1.00 61.31 H new ATOM 0 HA ASN A 222 1.381 -0.801 -11.140 1.00 63.44 H new ATOM 0 HB2 ASN A 222 3.845 -0.410 -10.768 1.00 14.34 H new ATOM 0 HB3 ASN A 222 4.132 -2.080 -11.214 1.00 14.34 H new ATOM 0 HD21 ASN A 222 3.183 0.746 -14.048 1.00 13.03 H new ATOM 0 HD22 ASN A 222 3.096 1.078 -12.315 1.00 13.03 H new ATOM 940 N GLY A 223 1.794 -3.952 -10.884 1.00 23.30 N ATOM 941 CA GLY A 223 1.515 -5.266 -11.395 1.00 1.13 C ATOM 942 C GLY A 223 2.465 -6.289 -10.798 1.00 31.43 C ATOM 943 O GLY A 223 2.349 -7.495 -11.052 1.00 3.24 O ATOM 0 H GLY A 223 2.178 -3.954 -9.939 1.00 23.30 H new ATOM 0 HA2 GLY A 223 0.486 -5.540 -11.164 1.00 1.13 H new ATOM 0 HA3 GLY A 223 1.609 -5.266 -12.481 1.00 1.13 H new ATOM 947 N ILE A 224 3.413 -5.804 -10.016 1.00 64.04 N ATOM 948 CA ILE A 224 4.380 -6.639 -9.360 1.00 62.25 C ATOM 949 C ILE A 224 4.027 -6.757 -7.887 1.00 62.43 C ATOM 950 O ILE A 224 3.892 -5.745 -7.195 1.00 61.05 O ATOM 951 CB ILE A 224 5.794 -6.045 -9.467 1.00 21.52 C ATOM 952 CG1 ILE A 224 6.196 -5.873 -10.933 1.00 33.23 C ATOM 953 CG2 ILE A 224 6.787 -6.938 -8.736 1.00 32.42 C ATOM 954 CD1 ILE A 224 7.553 -5.239 -11.112 1.00 61.42 C ATOM 0 H ILE A 224 3.527 -4.809 -9.822 1.00 64.04 H new ATOM 0 HA ILE A 224 4.365 -7.615 -9.846 1.00 62.25 H new ATOM 0 HB ILE A 224 5.799 -5.060 -9.000 1.00 21.52 H new ATOM 0 HG12 ILE A 224 6.192 -6.848 -11.420 1.00 33.23 H new ATOM 0 HG13 ILE A 224 5.448 -5.261 -11.438 1.00 33.23 H new ATOM 0 HG21 ILE A 224 7.787 -6.512 -8.816 1.00 32.42 H new ATOM 0 HG22 ILE A 224 6.506 -7.011 -7.685 1.00 32.42 H new ATOM 0 HG23 ILE A 224 6.780 -7.932 -9.183 1.00 32.42 H new ATOM 0 HD11 ILE A 224 7.774 -5.147 -12.175 1.00 61.42 H new ATOM 0 HD12 ILE A 224 7.556 -4.250 -10.654 1.00 61.42 H new ATOM 0 HD13 ILE A 224 8.311 -5.861 -10.636 1.00 61.42 H new ATOM 961 N GLU A 225 3.877 -7.975 -7.426 1.00 14.13 N ATOM 962 CA GLU A 225 3.533 -8.273 -6.039 1.00 31.35 C ATOM 963 C GLU A 225 4.530 -7.704 -5.052 1.00 60.41 C ATOM 964 O GLU A 225 5.725 -7.569 -5.345 1.00 63.04 O ATOM 965 CB GLU A 225 3.437 -9.768 -5.852 1.00 3.40 C ATOM 966 CG GLU A 225 4.730 -10.486 -6.164 1.00 2.05 C ATOM 967 CD GLU A 225 4.562 -11.977 -6.170 1.00 2.43 C ATOM 968 OE1 GLU A 225 3.993 -12.511 -7.156 1.00 12.33 O ATOM 969 OE2 GLU A 225 4.967 -12.638 -5.199 1.00 71.33 O ATOM 0 H GLU A 225 3.990 -8.807 -8.006 1.00 14.13 H new ATOM 0 HA GLU A 225 2.573 -7.799 -5.837 1.00 31.35 H new ATOM 0 HB2 GLU A 225 3.148 -9.982 -4.823 1.00 3.40 H new ATOM 0 HB3 GLU A 225 2.647 -10.159 -6.493 1.00 3.40 H new ATOM 0 HG2 GLU A 225 5.100 -10.160 -7.136 1.00 2.05 H new ATOM 0 HG3 GLU A 225 5.484 -10.210 -5.427 1.00 2.05 H new ATOM 976 N VAL A 226 4.028 -7.362 -3.903 1.00 54.32 N ATOM 977 CA VAL A 226 4.843 -6.891 -2.805 1.00 2.24 C ATOM 978 C VAL A 226 4.624 -7.768 -1.606 1.00 25.41 C ATOM 979 O VAL A 226 5.260 -7.594 -0.571 1.00 31.24 O ATOM 980 CB VAL A 226 4.525 -5.434 -2.424 1.00 30.41 C ATOM 981 CG1 VAL A 226 4.789 -4.512 -3.570 1.00 31.40 C ATOM 982 CG2 VAL A 226 3.109 -5.288 -1.948 1.00 10.44 C ATOM 0 H VAL A 226 3.031 -7.400 -3.692 1.00 54.32 H new ATOM 0 HA VAL A 226 5.882 -6.933 -3.130 1.00 2.24 H new ATOM 0 HB VAL A 226 5.186 -5.160 -1.602 1.00 30.41 H new ATOM 0 HG11 VAL A 226 4.556 -3.489 -3.275 1.00 31.40 H new ATOM 0 HG12 VAL A 226 5.839 -4.578 -3.855 1.00 31.40 H new ATOM 0 HG13 VAL A 226 4.164 -4.796 -4.417 1.00 31.40 H new ATOM 0 HG21 VAL A 226 2.918 -4.247 -1.687 1.00 10.44 H new ATOM 0 HG22 VAL A 226 2.426 -5.595 -2.740 1.00 10.44 H new ATOM 0 HG23 VAL A 226 2.953 -5.916 -1.071 1.00 10.44 H new ATOM 988 N ALA A 227 3.732 -8.723 -1.757 1.00 61.12 N ATOM 989 CA ALA A 227 3.392 -9.605 -0.683 1.00 4.43 C ATOM 990 C ALA A 227 4.530 -10.557 -0.402 1.00 34.52 C ATOM 991 O ALA A 227 4.737 -11.534 -1.120 1.00 40.04 O ATOM 992 CB ALA A 227 2.105 -10.354 -0.980 1.00 53.32 C ATOM 0 H ALA A 227 3.229 -8.902 -2.626 1.00 61.12 H new ATOM 0 HA ALA A 227 3.223 -9.007 0.213 1.00 4.43 H new ATOM 0 HB1 ALA A 227 1.870 -11.017 -0.148 1.00 53.32 H new ATOM 0 HB2 ALA A 227 1.292 -9.641 -1.117 1.00 53.32 H new ATOM 0 HB3 ALA A 227 2.228 -10.942 -1.889 1.00 53.32 H new ATOM 998 N GLY A 228 5.297 -10.232 0.599 1.00 23.32 N ATOM 999 CA GLY A 228 6.389 -11.061 1.005 1.00 53.14 C ATOM 1000 C GLY A 228 7.677 -10.310 0.954 1.00 42.11 C ATOM 1001 O GLY A 228 8.641 -10.661 1.636 1.00 61.22 O ATOM 0 H GLY A 228 5.181 -9.385 1.155 1.00 23.32 H new ATOM 0 HA2 GLY A 228 6.216 -11.426 2.017 1.00 53.14 H new ATOM 0 HA3 GLY A 228 6.448 -11.935 0.357 1.00 53.14 H new ATOM 1005 N LYS A 229 7.703 -9.270 0.146 1.00 42.12 N ATOM 1006 CA LYS A 229 8.907 -8.465 -0.007 1.00 25.21 C ATOM 1007 C LYS A 229 9.087 -7.517 1.160 1.00 72.21 C ATOM 1008 O LYS A 229 8.200 -7.393 2.009 1.00 74.54 O ATOM 1009 CB LYS A 229 8.866 -7.730 -1.323 1.00 64.23 C ATOM 1010 CG LYS A 229 8.523 -8.675 -2.418 1.00 52.11 C ATOM 1011 CD LYS A 229 8.686 -8.110 -3.776 1.00 11.24 C ATOM 1012 CE LYS A 229 8.231 -9.153 -4.743 1.00 0.03 C ATOM 1013 NZ LYS A 229 8.465 -8.779 -6.142 1.00 13.52 N ATOM 0 H LYS A 229 6.910 -8.960 -0.415 1.00 42.12 H new ATOM 0 HA LYS A 229 9.774 -9.126 -0.011 1.00 25.21 H new ATOM 0 HB2 LYS A 229 8.130 -6.928 -1.279 1.00 64.23 H new ATOM 0 HB3 LYS A 229 9.832 -7.265 -1.521 1.00 64.23 H new ATOM 0 HG2 LYS A 229 9.150 -9.562 -2.328 1.00 52.11 H new ATOM 0 HG3 LYS A 229 7.490 -9.000 -2.293 1.00 52.11 H new ATOM 0 HD2 LYS A 229 8.098 -7.199 -3.887 1.00 11.24 H new ATOM 0 HD3 LYS A 229 9.727 -7.842 -3.959 1.00 11.24 H new ATOM 0 HE2 LYS A 229 8.750 -10.088 -4.531 1.00 0.03 H new ATOM 0 HE3 LYS A 229 7.167 -9.338 -4.595 1.00 0.03 H new ATOM 0 HZ1 LYS A 229 8.114 -9.533 -6.766 1.00 13.52 H new ATOM 0 HZ2 LYS A 229 7.963 -7.893 -6.353 1.00 13.52 H new ATOM 0 HZ3 LYS A 229 9.484 -8.645 -6.300 1.00 13.52 H new ATOM 1027 N THR A 230 10.212 -6.839 1.211 1.00 22.25 N ATOM 1028 CA THR A 230 10.487 -6.003 2.334 1.00 44.13 C ATOM 1029 C THR A 230 10.043 -4.598 2.042 1.00 51.21 C ATOM 1030 O THR A 230 9.787 -4.246 0.877 1.00 25.25 O ATOM 1031 CB THR A 230 11.977 -5.993 2.664 1.00 60.40 C ATOM 1032 OG1 THR A 230 12.702 -5.464 1.556 1.00 13.04 O ATOM 1033 CG2 THR A 230 12.478 -7.398 2.978 1.00 53.21 C ATOM 0 H THR A 230 10.936 -6.856 0.493 1.00 22.25 H new ATOM 0 HA THR A 230 9.941 -6.401 3.190 1.00 44.13 H new ATOM 0 HB THR A 230 12.133 -5.370 3.545 1.00 60.40 H new ATOM 0 HG1 THR A 230 13.633 -5.306 1.819 1.00 13.04 H new ATOM 0 HG21 THR A 230 13.543 -7.361 3.209 1.00 53.21 H new ATOM 0 HG22 THR A 230 11.934 -7.795 3.835 1.00 53.21 H new ATOM 0 HG23 THR A 230 12.316 -8.043 2.115 1.00 53.21 H new ATOM 1039 N LEU A 231 9.970 -3.791 3.072 1.00 3.11 N ATOM 1040 CA LEU A 231 9.564 -2.429 2.947 1.00 14.33 C ATOM 1041 C LEU A 231 10.535 -1.681 2.031 1.00 4.15 C ATOM 1042 O LEU A 231 10.118 -0.865 1.199 1.00 72.44 O ATOM 1043 CB LEU A 231 9.474 -1.815 4.357 1.00 12.23 C ATOM 1044 CG LEU A 231 8.823 -0.429 4.530 1.00 62.22 C ATOM 1045 CD1 LEU A 231 9.682 0.699 3.985 1.00 34.12 C ATOM 1046 CD2 LEU A 231 7.443 -0.409 3.889 1.00 55.53 C ATOM 0 H LEU A 231 10.195 -4.072 4.026 1.00 3.11 H new ATOM 0 HA LEU A 231 8.580 -2.352 2.485 1.00 14.33 H new ATOM 0 HB2 LEU A 231 8.926 -2.516 4.987 1.00 12.23 H new ATOM 0 HB3 LEU A 231 10.487 -1.754 4.754 1.00 12.23 H new ATOM 0 HG LEU A 231 8.726 -0.256 5.602 1.00 62.22 H new ATOM 0 HD11 LEU A 231 9.171 1.650 4.135 1.00 34.12 H new ATOM 0 HD12 LEU A 231 10.638 0.714 4.508 1.00 34.12 H new ATOM 0 HD13 LEU A 231 9.854 0.544 2.920 1.00 34.12 H new ATOM 0 HD21 LEU A 231 6.996 0.576 4.019 1.00 55.53 H new ATOM 0 HD22 LEU A 231 7.533 -0.629 2.825 1.00 55.53 H new ATOM 0 HD23 LEU A 231 6.811 -1.160 4.363 1.00 55.53 H new ATOM 1054 N ASP A 232 11.811 -1.988 2.152 1.00 30.05 N ATOM 1055 CA ASP A 232 12.814 -1.347 1.327 1.00 60.23 C ATOM 1056 C ASP A 232 12.632 -1.731 -0.137 1.00 10.43 C ATOM 1057 O ASP A 232 12.742 -0.884 -1.022 1.00 44.21 O ATOM 1058 CB ASP A 232 14.228 -1.654 1.811 1.00 62.20 C ATOM 1059 CG ASP A 232 15.281 -0.933 1.002 1.00 40.33 C ATOM 1060 OD1 ASP A 232 15.378 0.308 1.101 1.00 54.03 O ATOM 1061 OD2 ASP A 232 16.042 -1.590 0.275 1.00 0.52 O ATOM 0 H ASP A 232 12.177 -2.675 2.811 1.00 30.05 H new ATOM 0 HA ASP A 232 12.676 -0.269 1.415 1.00 60.23 H new ATOM 0 HB2 ASP A 232 14.320 -1.369 2.859 1.00 62.20 H new ATOM 0 HB3 ASP A 232 14.403 -2.728 1.756 1.00 62.20 H new ATOM 1066 N GLN A 233 12.311 -3.007 -0.387 1.00 54.52 N ATOM 1067 CA GLN A 233 12.024 -3.450 -1.742 1.00 12.00 C ATOM 1068 C GLN A 233 10.784 -2.790 -2.324 1.00 13.33 C ATOM 1069 O GLN A 233 10.827 -2.239 -3.415 1.00 72.31 O ATOM 1070 CB GLN A 233 11.920 -4.983 -1.886 1.00 22.34 C ATOM 1071 CG GLN A 233 13.225 -5.689 -2.262 1.00 21.44 C ATOM 1072 CD GLN A 233 14.329 -5.590 -1.241 1.00 40.13 C ATOM 1073 OE1 GLN A 233 15.132 -4.657 -1.259 1.00 44.33 O ATOM 1074 NE2 GLN A 233 14.398 -6.553 -0.368 1.00 32.33 N ATOM 0 H GLN A 233 12.246 -3.735 0.324 1.00 54.52 H new ATOM 0 HA GLN A 233 12.891 -3.128 -2.318 1.00 12.00 H new ATOM 0 HB2 GLN A 233 11.559 -5.397 -0.945 1.00 22.34 H new ATOM 0 HB3 GLN A 233 11.170 -5.211 -2.643 1.00 22.34 H new ATOM 0 HG2 GLN A 233 13.010 -6.743 -2.440 1.00 21.44 H new ATOM 0 HG3 GLN A 233 13.585 -5.274 -3.203 1.00 21.44 H new ATOM 0 HE21 GLN A 233 13.713 -7.308 -0.387 1.00 32.33 H new ATOM 0 HE22 GLN A 233 15.137 -6.552 0.335 1.00 32.33 H new ATOM 1082 N VAL A 234 9.696 -2.801 -1.575 1.00 2.31 N ATOM 1083 CA VAL A 234 8.413 -2.315 -2.083 1.00 70.43 C ATOM 1084 C VAL A 234 8.403 -0.809 -2.312 1.00 23.01 C ATOM 1085 O VAL A 234 7.788 -0.323 -3.264 1.00 21.33 O ATOM 1086 CB VAL A 234 7.245 -2.719 -1.167 1.00 61.21 C ATOM 1087 CG1 VAL A 234 7.256 -4.206 -0.946 1.00 2.45 C ATOM 1088 CG2 VAL A 234 7.294 -1.990 0.144 1.00 23.10 C ATOM 0 H VAL A 234 9.669 -3.140 -0.613 1.00 2.31 H new ATOM 0 HA VAL A 234 8.277 -2.796 -3.051 1.00 70.43 H new ATOM 0 HB VAL A 234 6.315 -2.439 -1.662 1.00 61.21 H new ATOM 0 HG11 VAL A 234 6.426 -4.483 -0.296 1.00 2.45 H new ATOM 0 HG12 VAL A 234 7.154 -4.717 -1.903 1.00 2.45 H new ATOM 0 HG13 VAL A 234 8.196 -4.497 -0.478 1.00 2.45 H new ATOM 0 HG21 VAL A 234 6.454 -2.301 0.765 1.00 23.10 H new ATOM 0 HG22 VAL A 234 8.228 -2.223 0.655 1.00 23.10 H new ATOM 0 HG23 VAL A 234 7.236 -0.916 -0.034 1.00 23.10 H new ATOM 1094 N THR A 235 9.114 -0.088 -1.476 1.00 55.23 N ATOM 1095 CA THR A 235 9.119 1.353 -1.544 1.00 63.44 C ATOM 1096 C THR A 235 9.867 1.787 -2.769 1.00 51.41 C ATOM 1097 O THR A 235 9.481 2.737 -3.437 1.00 50.33 O ATOM 1098 CB THR A 235 9.738 2.010 -0.283 1.00 2.21 C ATOM 1099 OG1 THR A 235 9.027 1.570 0.882 1.00 21.11 O ATOM 1100 CG2 THR A 235 9.627 3.525 -0.372 1.00 64.01 C ATOM 0 H THR A 235 9.699 -0.479 -0.738 1.00 55.23 H new ATOM 0 HA THR A 235 8.082 1.684 -1.594 1.00 63.44 H new ATOM 0 HB THR A 235 10.787 1.723 -0.219 1.00 2.21 H new ATOM 0 HG1 THR A 235 9.126 0.600 0.978 1.00 21.11 H new ATOM 0 HG21 THR A 235 10.065 3.975 0.519 1.00 64.01 H new ATOM 0 HG22 THR A 235 10.159 3.878 -1.256 1.00 64.01 H new ATOM 0 HG23 THR A 235 8.577 3.809 -0.443 1.00 64.01 H new ATOM 1106 N ASP A 236 10.905 1.044 -3.099 1.00 53.05 N ATOM 1107 CA ASP A 236 11.699 1.339 -4.270 1.00 11.42 C ATOM 1108 C ASP A 236 10.841 1.215 -5.509 1.00 34.03 C ATOM 1109 O ASP A 236 10.977 1.988 -6.455 1.00 70.02 O ATOM 1110 CB ASP A 236 12.905 0.410 -4.359 1.00 24.41 C ATOM 1111 CG ASP A 236 13.791 0.712 -5.540 1.00 72.03 C ATOM 1112 OD1 ASP A 236 14.517 1.727 -5.510 1.00 30.41 O ATOM 1113 OD2 ASP A 236 13.782 -0.060 -6.511 1.00 64.30 O ATOM 0 H ASP A 236 11.217 0.230 -2.570 1.00 53.05 H new ATOM 0 HA ASP A 236 12.071 2.361 -4.193 1.00 11.42 H new ATOM 0 HB2 ASP A 236 13.489 0.492 -3.442 1.00 24.41 H new ATOM 0 HB3 ASP A 236 12.559 -0.621 -4.425 1.00 24.41 H new ATOM 1118 N MET A 237 9.895 0.274 -5.470 1.00 34.45 N ATOM 1119 CA MET A 237 9.021 0.076 -6.607 1.00 75.12 C ATOM 1120 C MET A 237 8.015 1.220 -6.650 1.00 43.12 C ATOM 1121 O MET A 237 7.666 1.701 -7.692 1.00 33.43 O ATOM 1122 CB MET A 237 8.314 -1.317 -6.590 1.00 21.44 C ATOM 1123 CG MET A 237 9.207 -2.409 -5.969 1.00 54.23 C ATOM 1124 SD MET A 237 9.011 -4.103 -6.643 1.00 31.15 S ATOM 1125 CE MET A 237 7.386 -4.598 -6.097 1.00 72.55 C ATOM 0 H MET A 237 9.724 -0.346 -4.678 1.00 34.45 H new ATOM 0 HA MET A 237 9.623 0.081 -7.516 1.00 75.12 H new ATOM 0 HB2 MET A 237 7.384 -1.245 -6.026 1.00 21.44 H new ATOM 0 HB3 MET A 237 8.048 -1.601 -7.608 1.00 21.44 H new ATOM 0 HG2 MET A 237 10.248 -2.110 -6.093 1.00 54.23 H new ATOM 0 HG3 MET A 237 9.010 -2.443 -4.897 1.00 54.23 H new ATOM 0 HE1 MET A 237 7.457 -5.538 -5.550 1.00 72.55 H new ATOM 0 HE2 MET A 237 6.971 -3.829 -5.445 1.00 72.55 H new ATOM 0 HE3 MET A 237 6.736 -4.730 -6.962 1.00 72.55 H new ATOM 1135 N MET A 238 7.604 1.690 -5.494 1.00 53.45 N ATOM 1136 CA MET A 238 6.660 2.809 -5.412 1.00 22.40 C ATOM 1137 C MET A 238 7.312 4.106 -5.887 1.00 42.50 C ATOM 1138 O MET A 238 6.666 4.937 -6.522 1.00 41.01 O ATOM 1139 CB MET A 238 6.123 2.966 -3.999 1.00 30.23 C ATOM 1140 CG MET A 238 5.401 1.759 -3.498 1.00 14.31 C ATOM 1141 SD MET A 238 4.841 1.959 -1.825 1.00 41.21 S ATOM 1142 CE MET A 238 4.256 0.316 -1.519 1.00 12.12 C ATOM 0 H MET A 238 7.902 1.322 -4.591 1.00 53.45 H new ATOM 0 HA MET A 238 5.820 2.587 -6.071 1.00 22.40 H new ATOM 0 HB2 MET A 238 6.952 3.189 -3.327 1.00 30.23 H new ATOM 0 HB3 MET A 238 5.449 3.822 -3.968 1.00 30.23 H new ATOM 0 HG2 MET A 238 4.547 1.555 -4.143 1.00 14.31 H new ATOM 0 HG3 MET A 238 6.060 0.893 -3.558 1.00 14.31 H new ATOM 0 HE1 MET A 238 3.217 0.355 -1.192 1.00 12.12 H new ATOM 0 HE2 MET A 238 4.326 -0.272 -2.434 1.00 12.12 H new ATOM 0 HE3 MET A 238 4.864 -0.148 -0.742 1.00 12.12 H new ATOM 1152 N VAL A 239 8.593 4.267 -5.586 1.00 61.41 N ATOM 1153 CA VAL A 239 9.347 5.417 -6.042 1.00 54.40 C ATOM 1154 C VAL A 239 9.515 5.353 -7.561 1.00 5.13 C ATOM 1155 O VAL A 239 9.399 6.363 -8.262 1.00 22.23 O ATOM 1156 CB VAL A 239 10.740 5.497 -5.355 1.00 34.43 C ATOM 1157 CG1 VAL A 239 11.522 6.680 -5.871 1.00 64.41 C ATOM 1158 CG2 VAL A 239 10.589 5.607 -3.849 1.00 4.42 C ATOM 0 H VAL A 239 9.131 3.608 -5.024 1.00 61.41 H new ATOM 0 HA VAL A 239 8.792 6.315 -5.771 1.00 54.40 H new ATOM 0 HB VAL A 239 11.282 4.582 -5.592 1.00 34.43 H new ATOM 0 HG11 VAL A 239 12.493 6.717 -5.377 1.00 64.41 H new ATOM 0 HG12 VAL A 239 11.665 6.580 -6.947 1.00 64.41 H new ATOM 0 HG13 VAL A 239 10.973 7.598 -5.662 1.00 64.41 H new ATOM 0 HG21 VAL A 239 11.575 5.662 -3.388 1.00 4.42 H new ATOM 0 HG22 VAL A 239 10.024 6.506 -3.605 1.00 4.42 H new ATOM 0 HG23 VAL A 239 10.060 4.732 -3.472 1.00 4.42 H new ATOM 1164 N ALA A 240 9.751 4.162 -8.063 1.00 52.41 N ATOM 1165 CA ALA A 240 9.899 3.963 -9.493 1.00 53.43 C ATOM 1166 C ALA A 240 8.568 4.158 -10.213 1.00 14.54 C ATOM 1167 O ALA A 240 8.522 4.639 -11.347 1.00 12.50 O ATOM 1168 CB ALA A 240 10.508 2.599 -9.790 1.00 63.25 C ATOM 0 H ALA A 240 9.845 3.314 -7.504 1.00 52.41 H new ATOM 0 HA ALA A 240 10.587 4.718 -9.874 1.00 53.43 H new ATOM 0 HB1 ALA A 240 10.609 2.473 -10.868 1.00 63.25 H new ATOM 0 HB2 ALA A 240 11.490 2.530 -9.323 1.00 63.25 H new ATOM 0 HB3 ALA A 240 9.861 1.817 -9.392 1.00 63.25 H new ATOM 1174 N ASN A 241 7.491 3.814 -9.547 1.00 43.35 N ATOM 1175 CA ASN A 241 6.173 3.976 -10.119 1.00 63.34 C ATOM 1176 C ASN A 241 5.517 5.268 -9.676 1.00 32.32 C ATOM 1177 O ASN A 241 4.323 5.406 -9.780 1.00 31.22 O ATOM 1178 CB ASN A 241 5.243 2.774 -9.832 1.00 25.33 C ATOM 1179 CG ASN A 241 5.719 1.479 -10.467 1.00 3.13 C ATOM 1180 OD1 ASN A 241 5.451 1.226 -11.623 1.00 52.41 O ATOM 1181 ND2 ASN A 241 6.388 0.648 -9.704 1.00 14.04 N ATOM 0 H ASN A 241 7.501 3.419 -8.607 1.00 43.35 H new ATOM 0 HA ASN A 241 6.324 4.021 -11.197 1.00 63.34 H new ATOM 0 HB2 ASN A 241 5.164 2.634 -8.754 1.00 25.33 H new ATOM 0 HB3 ASN A 241 4.242 3.003 -10.198 1.00 25.33 H new ATOM 0 HD21 ASN A 241 6.702 -0.247 -10.078 1.00 14.04 H new ATOM 0 HD22 ASN A 241 6.594 0.897 -8.737 1.00 14.04 H new ATOM 1187 N SER A 242 6.306 6.240 -9.229 1.00 32.00 N ATOM 1188 CA SER A 242 5.737 7.538 -8.817 1.00 71.20 C ATOM 1189 C SER A 242 5.060 8.267 -9.992 1.00 52.22 C ATOM 1190 O SER A 242 4.203 9.110 -9.793 1.00 72.52 O ATOM 1191 CB SER A 242 6.779 8.411 -8.118 1.00 35.11 C ATOM 1192 OG SER A 242 7.256 7.766 -6.931 1.00 75.41 O ATOM 0 H SER A 242 7.320 6.167 -9.140 1.00 32.00 H new ATOM 0 HA SER A 242 4.954 7.332 -8.087 1.00 71.20 H new ATOM 0 HB2 SER A 242 7.612 8.605 -8.794 1.00 35.11 H new ATOM 0 HB3 SER A 242 6.342 9.377 -7.864 1.00 35.11 H new ATOM 0 HG SER A 242 6.966 6.830 -6.928 1.00 75.41 H new ATOM 1198 N SER A 243 5.461 7.932 -11.209 1.00 0.25 N ATOM 1199 CA SER A 243 4.874 8.507 -12.404 1.00 62.53 C ATOM 1200 C SER A 243 3.393 8.081 -12.560 1.00 52.34 C ATOM 1201 O SER A 243 2.602 8.786 -13.180 1.00 60.05 O ATOM 1202 CB SER A 243 5.688 8.055 -13.610 1.00 12.40 C ATOM 1203 OG SER A 243 7.064 8.362 -13.410 1.00 42.01 O ATOM 0 H SER A 243 6.201 7.255 -11.393 1.00 0.25 H new ATOM 0 HA SER A 243 4.893 9.594 -12.327 1.00 62.53 H new ATOM 0 HB2 SER A 243 5.564 6.983 -13.762 1.00 12.40 H new ATOM 0 HB3 SER A 243 5.324 8.549 -14.511 1.00 12.40 H new ATOM 0 HG SER A 243 7.581 8.067 -14.188 1.00 42.01 H new ATOM 1209 N ASN A 244 3.048 6.941 -11.970 1.00 34.23 N ATOM 1210 CA ASN A 244 1.708 6.352 -12.018 1.00 31.04 C ATOM 1211 C ASN A 244 1.659 5.153 -11.084 1.00 42.23 C ATOM 1212 O ASN A 244 2.027 4.024 -11.441 1.00 52.21 O ATOM 1213 CB ASN A 244 1.269 5.997 -13.469 1.00 35.54 C ATOM 1214 CG ASN A 244 2.286 5.163 -14.257 1.00 14.42 C ATOM 1215 OD1 ASN A 244 3.175 5.708 -14.916 1.00 20.33 O ATOM 1216 ND2 ASN A 244 2.154 3.865 -14.217 1.00 71.05 N ATOM 0 H ASN A 244 3.709 6.383 -11.429 1.00 34.23 H new ATOM 0 HA ASN A 244 0.985 7.092 -11.675 1.00 31.04 H new ATOM 0 HB2 ASN A 244 0.326 5.451 -13.426 1.00 35.54 H new ATOM 0 HB3 ASN A 244 1.077 6.922 -14.013 1.00 35.54 H new ATOM 0 HD21 ASN A 244 2.797 3.271 -14.740 1.00 71.05 H new ATOM 0 HD22 ASN A 244 1.408 3.445 -13.662 1.00 71.05 H new ATOM 1222 N LEU A 245 1.242 5.394 -9.876 1.00 74.33 N ATOM 1223 CA LEU A 245 1.365 4.408 -8.849 1.00 22.15 C ATOM 1224 C LEU A 245 0.136 3.484 -8.812 1.00 13.05 C ATOM 1225 O LEU A 245 -0.904 3.865 -8.356 1.00 2.44 O ATOM 1226 CB LEU A 245 1.534 5.121 -7.502 1.00 53.31 C ATOM 1227 CG LEU A 245 2.343 4.386 -6.436 1.00 72.30 C ATOM 1228 CD1 LEU A 245 2.374 5.142 -5.149 1.00 53.43 C ATOM 1229 CD2 LEU A 245 1.865 3.000 -6.236 1.00 11.33 C ATOM 0 H LEU A 245 0.812 6.270 -9.579 1.00 74.33 H new ATOM 0 HA LEU A 245 2.236 3.785 -9.055 1.00 22.15 H new ATOM 0 HB2 LEU A 245 2.008 6.086 -7.684 1.00 53.31 H new ATOM 0 HB3 LEU A 245 0.542 5.324 -7.097 1.00 53.31 H new ATOM 0 HG LEU A 245 3.367 4.323 -6.804 1.00 72.30 H new ATOM 0 HD11 LEU A 245 2.959 4.587 -4.415 1.00 53.43 H new ATOM 0 HD12 LEU A 245 2.829 6.119 -5.312 1.00 53.43 H new ATOM 0 HD13 LEU A 245 1.357 5.272 -4.779 1.00 53.43 H new ATOM 0 HD21 LEU A 245 2.468 2.514 -5.469 1.00 11.33 H new ATOM 0 HD22 LEU A 245 0.822 3.017 -5.920 1.00 11.33 H new ATOM 0 HD23 LEU A 245 1.952 2.447 -7.171 1.00 11.33 H new ATOM 1237 N ILE A 246 0.273 2.283 -9.290 1.00 4.23 N ATOM 1238 CA ILE A 246 -0.832 1.334 -9.220 1.00 62.00 C ATOM 1239 C ILE A 246 -0.630 0.449 -8.006 1.00 31.35 C ATOM 1240 O ILE A 246 0.396 -0.188 -7.887 1.00 31.35 O ATOM 1241 CB ILE A 246 -0.884 0.419 -10.461 1.00 61.14 C ATOM 1242 CG1 ILE A 246 -0.878 1.238 -11.748 1.00 24.40 C ATOM 1243 CG2 ILE A 246 -2.124 -0.483 -10.404 1.00 44.54 C ATOM 1244 CD1 ILE A 246 -0.829 0.400 -13.012 1.00 53.32 C ATOM 0 H ILE A 246 1.122 1.927 -9.730 1.00 4.23 H new ATOM 0 HA ILE A 246 -1.760 1.903 -9.164 1.00 62.00 H new ATOM 0 HB ILE A 246 0.007 -0.208 -10.459 1.00 61.14 H new ATOM 0 HG12 ILE A 246 -1.771 1.863 -11.773 1.00 24.40 H new ATOM 0 HG13 ILE A 246 -0.019 1.909 -11.736 1.00 24.40 H new ATOM 0 HG21 ILE A 246 -2.149 -1.124 -11.286 1.00 44.54 H new ATOM 0 HG22 ILE A 246 -2.083 -1.101 -9.507 1.00 44.54 H new ATOM 0 HG23 ILE A 246 -3.022 0.134 -10.379 1.00 44.54 H new ATOM 0 HD11 ILE A 246 -0.828 1.055 -13.883 1.00 53.32 H new ATOM 0 HD12 ILE A 246 0.077 -0.206 -13.012 1.00 53.32 H new ATOM 0 HD13 ILE A 246 -1.701 -0.252 -13.050 1.00 53.32 H new ATOM 1251 N ILE A 247 -1.568 0.418 -7.123 1.00 25.23 N ATOM 1252 CA ILE A 247 -1.480 -0.440 -5.957 1.00 10.40 C ATOM 1253 C ILE A 247 -2.731 -1.269 -5.752 1.00 52.34 C ATOM 1254 O ILE A 247 -3.855 -0.785 -5.902 1.00 34.52 O ATOM 1255 CB ILE A 247 -1.066 0.324 -4.642 1.00 24.31 C ATOM 1256 CG1 ILE A 247 0.441 0.542 -4.586 1.00 72.12 C ATOM 1257 CG2 ILE A 247 -1.537 -0.385 -3.399 1.00 53.32 C ATOM 1258 CD1 ILE A 247 0.918 1.316 -3.366 1.00 4.51 C ATOM 0 H ILE A 247 -2.419 0.977 -7.174 1.00 25.23 H new ATOM 0 HA ILE A 247 -0.665 -1.131 -6.173 1.00 10.40 H new ATOM 0 HB ILE A 247 -1.560 1.295 -4.675 1.00 24.31 H new ATOM 0 HG12 ILE A 247 0.937 -0.428 -4.603 1.00 72.12 H new ATOM 0 HG13 ILE A 247 0.753 1.075 -5.484 1.00 72.12 H new ATOM 0 HG21 ILE A 247 -1.228 0.179 -2.519 1.00 53.32 H new ATOM 0 HG22 ILE A 247 -2.624 -0.465 -3.416 1.00 53.32 H new ATOM 0 HG23 ILE A 247 -1.100 -1.383 -3.362 1.00 53.32 H new ATOM 0 HD11 ILE A 247 2.002 1.426 -3.406 1.00 4.51 H new ATOM 0 HD12 ILE A 247 0.453 2.302 -3.356 1.00 4.51 H new ATOM 0 HD13 ILE A 247 0.641 0.775 -2.461 1.00 4.51 H new ATOM 1265 N THR A 248 -2.517 -2.527 -5.460 1.00 65.03 N ATOM 1266 CA THR A 248 -3.564 -3.430 -5.122 1.00 4.32 C ATOM 1267 C THR A 248 -3.603 -3.575 -3.614 1.00 13.12 C ATOM 1268 O THR A 248 -2.608 -3.931 -3.014 1.00 34.33 O ATOM 1269 CB THR A 248 -3.315 -4.811 -5.745 1.00 43.11 C ATOM 1270 OG1 THR A 248 -3.210 -4.681 -7.163 1.00 3.10 O ATOM 1271 CG2 THR A 248 -4.440 -5.775 -5.412 1.00 33.21 C ATOM 0 H THR A 248 -1.589 -2.951 -5.453 1.00 65.03 H new ATOM 0 HA THR A 248 -4.508 -3.040 -5.503 1.00 4.32 H new ATOM 0 HB THR A 248 -2.387 -5.209 -5.333 1.00 43.11 H new ATOM 0 HG1 THR A 248 -3.210 -5.571 -7.574 1.00 3.10 H new ATOM 0 HG21 THR A 248 -4.235 -6.744 -5.867 1.00 33.21 H new ATOM 0 HG22 THR A 248 -4.513 -5.890 -4.331 1.00 33.21 H new ATOM 0 HG23 THR A 248 -5.381 -5.384 -5.799 1.00 33.21 H new ATOM 1277 N VAL A 249 -4.723 -3.284 -3.019 1.00 35.24 N ATOM 1278 CA VAL A 249 -4.892 -3.434 -1.587 1.00 1.24 C ATOM 1279 C VAL A 249 -6.165 -4.142 -1.269 1.00 54.30 C ATOM 1280 O VAL A 249 -7.137 -4.094 -2.034 1.00 63.51 O ATOM 1281 CB VAL A 249 -4.869 -2.099 -0.759 1.00 12.02 C ATOM 1282 CG1 VAL A 249 -3.517 -1.420 -0.775 1.00 42.21 C ATOM 1283 CG2 VAL A 249 -5.977 -1.149 -1.189 1.00 54.30 C ATOM 0 H VAL A 249 -5.550 -2.936 -3.505 1.00 35.24 H new ATOM 0 HA VAL A 249 -4.018 -4.013 -1.288 1.00 1.24 H new ATOM 0 HB VAL A 249 -5.059 -2.381 0.277 1.00 12.02 H new ATOM 0 HG11 VAL A 249 -3.563 -0.504 -0.187 1.00 42.21 H new ATOM 0 HG12 VAL A 249 -2.769 -2.088 -0.348 1.00 42.21 H new ATOM 0 HG13 VAL A 249 -3.243 -1.178 -1.802 1.00 42.21 H new ATOM 0 HG21 VAL A 249 -5.927 -0.238 -0.593 1.00 54.30 H new ATOM 0 HG22 VAL A 249 -5.854 -0.900 -2.243 1.00 54.30 H new ATOM 0 HG23 VAL A 249 -6.945 -1.628 -1.040 1.00 54.30 H new ATOM 1289 N LYS A 250 -6.141 -4.801 -0.172 1.00 51.20 N ATOM 1290 CA LYS A 250 -7.282 -5.458 0.394 1.00 13.54 C ATOM 1291 C LYS A 250 -7.455 -5.004 1.806 1.00 0.53 C ATOM 1292 O LYS A 250 -6.496 -5.057 2.600 1.00 42.34 O ATOM 1293 CB LYS A 250 -7.110 -6.970 0.423 1.00 24.13 C ATOM 1294 CG LYS A 250 -5.678 -7.407 0.684 1.00 32.01 C ATOM 1295 CD LYS A 250 -5.603 -8.783 1.287 1.00 23.35 C ATOM 1296 CE LYS A 250 -6.256 -8.813 2.682 1.00 64.24 C ATOM 1297 NZ LYS A 250 -5.586 -7.923 3.643 1.00 51.43 N ATOM 0 H LYS A 250 -5.295 -4.908 0.388 1.00 51.20 H new ATOM 0 HA LYS A 250 -8.144 -5.207 -0.225 1.00 13.54 H new ATOM 0 HB2 LYS A 250 -7.756 -7.388 1.195 1.00 24.13 H new ATOM 0 HB3 LYS A 250 -7.441 -7.385 -0.529 1.00 24.13 H new ATOM 0 HG2 LYS A 250 -5.119 -7.392 -0.252 1.00 32.01 H new ATOM 0 HG3 LYS A 250 -5.199 -6.693 1.353 1.00 32.01 H new ATOM 0 HD2 LYS A 250 -6.102 -9.498 0.633 1.00 23.35 H new ATOM 0 HD3 LYS A 250 -4.561 -9.094 1.363 1.00 23.35 H new ATOM 0 HE2 LYS A 250 -7.303 -8.524 2.594 1.00 64.24 H new ATOM 0 HE3 LYS A 250 -6.238 -9.833 3.065 1.00 64.24 H new ATOM 0 HZ1 LYS A 250 -5.877 -8.174 4.610 1.00 51.43 H new ATOM 0 HZ2 LYS A 250 -4.555 -8.028 3.553 1.00 51.43 H new ATOM 0 HZ3 LYS A 250 -5.852 -6.937 3.447 1.00 51.43 H new ATOM 1311 N PRO A 251 -8.644 -4.569 2.160 1.00 64.13 N ATOM 1312 CA PRO A 251 -8.944 -4.167 3.510 1.00 5.54 C ATOM 1313 C PRO A 251 -8.871 -5.361 4.443 1.00 74.32 C ATOM 1314 O PRO A 251 -9.104 -6.506 4.015 1.00 25.23 O ATOM 1315 CB PRO A 251 -10.369 -3.614 3.434 1.00 31.15 C ATOM 1316 CG PRO A 251 -10.953 -4.233 2.215 1.00 1.32 C ATOM 1317 CD PRO A 251 -9.813 -4.421 1.266 1.00 33.15 C ATOM 0 HA PRO A 251 -8.240 -3.431 3.898 1.00 5.54 H new ATOM 0 HB2 PRO A 251 -10.942 -3.875 4.323 1.00 31.15 H new ATOM 0 HB3 PRO A 251 -10.368 -2.526 3.363 1.00 31.15 H new ATOM 0 HG2 PRO A 251 -11.427 -5.186 2.450 1.00 1.32 H new ATOM 0 HG3 PRO A 251 -11.721 -3.593 1.781 1.00 1.32 H new ATOM 0 HD2 PRO A 251 -9.953 -5.301 0.639 1.00 33.15 H new ATOM 0 HD3 PRO A 251 -9.702 -3.568 0.597 1.00 33.15 H new