USER MOD reduce.3.24.130724 H: found=0, std=0, add=741, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 740 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 213 THR OG1 : rot 180:sc= 0.0129 USER MOD Set 1.2: A 214 THR OG1 : rot 180:sc= -0.397 USER MOD Set 2.1: A 188 HIS : no HD1:sc= -0.163 X(o=0.82,f=0.84) USER MOD Set 2.2: A 254 SER OG : rot 68:sc= 0.984 USER MOD Set 3.1: A 165 SER OG : rot 180:sc= 0.00925 USER MOD Set 3.2: A 166 HIS : no HD1:sc= 0 X(o=0.0092,f=0.039) USER MOD Single : A 167 MET CE :methyl -157:sc= -0.108 (180deg=-1.21) USER MOD Single : A 173 TYR OH : rot 180:sc= -3.39! USER MOD Single : A 175 LYS NZ :NH3+ -157:sc= -0.107 (180deg=-0.483) USER MOD Single : A 177 GLN : amide:sc= -5.61! C(o=-5.6!,f=-6.4!) USER MOD Single : A 184 TYR OH : rot -100:sc= -0.328 USER MOD Single : A 190 SER OG : rot 180:sc= 0 USER MOD Single : A 191 THR OG1 : rot 180:sc= 0.113 USER MOD Single : A 193 GLN : amide:sc= -0.0592 K(o=-0.059,f=-3.2!) USER MOD Single : A 196 HIS : no HD1:sc= -0.0747 K(o=-0.075,f=-3.1!) USER MOD Single : A 202 MET CE :methyl -172:sc= -6.62! (180deg=-7.19!) USER MOD Single : A 203 LYS NZ :NH3+ 169:sc=-0.00551 (180deg=-0.245) USER MOD Single : A 206 SER OG : rot 24:sc= 0.4 USER MOD Single : A 207 MET CE :methyl -156:sc= -0.36 (180deg=-0.825) USER MOD Single : A 208 THR OG1 : rot 180:sc= 0 USER MOD Single : A 216 ASN : amide:sc= -0.0133 X(o=-0.013,f=-0.084) USER MOD Single : A 218 SER OG : rot 180:sc= 0 USER MOD Single : A 223 CYS SG : rot -32:sc= 0.0166 USER MOD Single : A 224 SER OG : rot 180:sc= 0 USER MOD Single : A 226 ASN : amide:sc= 0.0465 K(o=0.046,f=-3.3!) USER MOD Single : A 227 GLN : amide:sc= 0.563 K(o=0.56,f=-1) USER MOD Single : A 232 GLN : amide:sc= -0.285 X(o=-0.28,f=-0.00059) USER MOD Single : A 242 SER OG : rot 180:sc= 0 USER MOD Single : A 243 HIS : no HE2:sc= -3.62! C(o=-3.6!,f=-8!) USER MOD Single : A 249 LYS NZ :NH3+ -134:sc= -0.108 (180deg=-0.573) USER MOD Single : A 250 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 164 -14.973 -5.893 -10.349 1.00 5.98 N ATOM 2 CA GLY A 164 -13.526 -6.178 -10.494 1.00 5.08 C ATOM 3 C GLY A 164 -13.139 -7.493 -9.853 1.00 4.07 C ATOM 4 O GLY A 164 -13.513 -7.767 -8.712 1.00 4.09 O ATOM 0 HA2 GLY A 164 -13.265 -6.200 -11.552 1.00 5.08 H new ATOM 0 HA3 GLY A 164 -12.951 -5.371 -10.041 1.00 5.08 H new ATOM 10 N SER A 165 -12.393 -8.308 -10.583 1.00 3.59 N ATOM 11 CA SER A 165 -11.957 -9.604 -10.082 1.00 3.14 C ATOM 12 C SER A 165 -10.730 -9.456 -9.183 1.00 2.20 C ATOM 13 O SER A 165 -10.569 -10.186 -8.206 1.00 2.60 O ATOM 14 CB SER A 165 -11.659 -10.541 -11.254 1.00 3.93 C ATOM 15 OG SER A 165 -10.796 -9.926 -12.199 1.00 4.65 O ATOM 0 H SER A 165 -12.075 -8.094 -11.528 1.00 3.59 H new ATOM 0 HA SER A 165 -12.759 -10.034 -9.482 1.00 3.14 H new ATOM 0 HB2 SER A 165 -11.201 -11.458 -10.882 1.00 3.93 H new ATOM 0 HB3 SER A 165 -12.592 -10.826 -11.741 1.00 3.93 H new ATOM 0 HG SER A 165 -10.621 -10.548 -12.936 1.00 4.65 H new ATOM 21 N HIS A 166 -9.880 -8.489 -9.503 1.00 1.55 N ATOM 22 CA HIS A 166 -8.694 -8.214 -8.700 1.00 0.98 C ATOM 23 C HIS A 166 -8.999 -7.103 -7.705 1.00 0.85 C ATOM 24 O HIS A 166 -8.098 -6.450 -7.178 1.00 1.45 O ATOM 25 CB HIS A 166 -7.510 -7.813 -9.587 1.00 1.69 C ATOM 26 CG HIS A 166 -7.099 -8.862 -10.576 1.00 2.07 C ATOM 27 ND1 HIS A 166 -6.130 -9.793 -10.277 1.00 2.94 N ATOM 28 CD2 HIS A 166 -7.536 -9.070 -11.841 1.00 2.43 C ATOM 29 CE1 HIS A 166 -6.000 -10.540 -11.361 1.00 3.54 C ATOM 30 NE2 HIS A 166 -6.830 -10.137 -12.331 1.00 3.27 N ATOM 0 H HIS A 166 -9.989 -7.881 -10.314 1.00 1.55 H new ATOM 0 HA HIS A 166 -8.421 -9.122 -8.162 1.00 0.98 H new ATOM 0 HB2 HIS A 166 -7.767 -6.902 -10.127 1.00 1.69 H new ATOM 0 HB3 HIS A 166 -6.658 -7.576 -8.950 1.00 1.69 H new ATOM 0 HD2 HIS A 166 -8.294 -8.504 -12.362 1.00 2.43 H new ATOM 0 HE1 HIS A 166 -5.313 -11.368 -11.452 1.00 3.54 H new ATOM 0 HE2 HIS A 166 -6.920 -10.547 -13.260 1.00 3.27 H new ATOM 38 N MET A 167 -10.283 -6.907 -7.447 1.00 0.64 N ATOM 39 CA MET A 167 -10.741 -5.837 -6.575 1.00 0.52 C ATOM 40 C MET A 167 -10.927 -6.355 -5.148 1.00 0.40 C ATOM 41 O MET A 167 -11.340 -5.616 -4.258 1.00 0.39 O ATOM 42 CB MET A 167 -12.052 -5.263 -7.124 1.00 0.71 C ATOM 43 CG MET A 167 -12.516 -3.985 -6.446 1.00 0.99 C ATOM 44 SD MET A 167 -14.015 -3.319 -7.194 1.00 0.96 S ATOM 45 CE MET A 167 -14.285 -1.870 -6.178 1.00 1.20 C ATOM 0 H MET A 167 -11.032 -7.481 -7.833 1.00 0.64 H new ATOM 0 HA MET A 167 -9.992 -5.045 -6.547 1.00 0.52 H new ATOM 0 HB2 MET A 167 -11.931 -5.070 -8.190 1.00 0.71 H new ATOM 0 HB3 MET A 167 -12.833 -6.016 -7.024 1.00 0.71 H new ATOM 0 HG2 MET A 167 -12.697 -4.182 -5.389 1.00 0.99 H new ATOM 0 HG3 MET A 167 -11.723 -3.239 -6.500 1.00 0.99 H new ATOM 0 HE1 MET A 167 -15.336 -1.586 -6.222 1.00 1.20 H new ATOM 0 HE2 MET A 167 -14.012 -2.093 -5.146 1.00 1.20 H new ATOM 0 HE3 MET A 167 -13.671 -1.048 -6.546 1.00 1.20 H new ATOM 55 N ALA A 168 -10.587 -7.625 -4.943 1.00 0.41 N ATOM 56 CA ALA A 168 -10.715 -8.263 -3.635 1.00 0.40 C ATOM 57 C ALA A 168 -9.868 -7.546 -2.590 1.00 0.31 C ATOM 58 O ALA A 168 -10.358 -7.187 -1.517 1.00 0.35 O ATOM 59 CB ALA A 168 -10.317 -9.728 -3.726 1.00 0.53 C ATOM 0 H ALA A 168 -10.218 -8.236 -5.671 1.00 0.41 H new ATOM 0 HA ALA A 168 -11.758 -8.198 -3.324 1.00 0.40 H new ATOM 0 HB1 ALA A 168 -10.416 -10.194 -2.745 1.00 0.53 H new ATOM 0 HB2 ALA A 168 -10.967 -10.238 -4.437 1.00 0.53 H new ATOM 0 HB3 ALA A 168 -9.282 -9.804 -4.061 1.00 0.53 H new ATOM 65 N ALA A 169 -8.600 -7.327 -2.912 1.00 0.28 N ATOM 66 CA ALA A 169 -7.702 -6.606 -2.022 1.00 0.24 C ATOM 67 C ALA A 169 -8.178 -5.170 -1.829 1.00 0.20 C ATOM 68 O ALA A 169 -8.027 -4.592 -0.752 1.00 0.19 O ATOM 69 CB ALA A 169 -6.286 -6.619 -2.574 1.00 0.31 C ATOM 0 H ALA A 169 -8.171 -7.639 -3.783 1.00 0.28 H new ATOM 0 HA ALA A 169 -7.705 -7.106 -1.053 1.00 0.24 H new ATOM 0 HB1 ALA A 169 -5.627 -6.076 -1.897 1.00 0.31 H new ATOM 0 HB2 ALA A 169 -5.941 -7.649 -2.668 1.00 0.31 H new ATOM 0 HB3 ALA A 169 -6.273 -6.142 -3.554 1.00 0.31 H new ATOM 75 N LEU A 170 -8.784 -4.610 -2.873 1.00 0.21 N ATOM 76 CA LEU A 170 -9.215 -3.223 -2.838 1.00 0.19 C ATOM 77 C LEU A 170 -10.383 -3.040 -1.882 1.00 0.16 C ATOM 78 O LEU A 170 -10.305 -2.236 -0.959 1.00 0.17 O ATOM 79 CB LEU A 170 -9.617 -2.726 -4.224 1.00 0.23 C ATOM 80 CG LEU A 170 -9.842 -1.217 -4.299 1.00 0.26 C ATOM 81 CD1 LEU A 170 -8.514 -0.488 -4.386 1.00 0.29 C ATOM 82 CD2 LEU A 170 -10.734 -0.854 -5.469 1.00 0.29 C ATOM 0 H LEU A 170 -8.985 -5.096 -3.747 1.00 0.21 H new ATOM 0 HA LEU A 170 -8.366 -2.636 -2.488 1.00 0.19 H new ATOM 0 HB2 LEU A 170 -8.842 -3.004 -4.938 1.00 0.23 H new ATOM 0 HB3 LEU A 170 -10.530 -3.235 -4.531 1.00 0.23 H new ATOM 0 HG LEU A 170 -10.349 -0.904 -3.387 1.00 0.26 H new ATOM 0 HD11 LEU A 170 -8.691 0.586 -4.439 1.00 0.29 H new ATOM 0 HD12 LEU A 170 -7.916 -0.714 -3.503 1.00 0.29 H new ATOM 0 HD13 LEU A 170 -7.979 -0.812 -5.279 1.00 0.29 H new ATOM 0 HD21 LEU A 170 -10.876 0.226 -5.497 1.00 0.29 H new ATOM 0 HD22 LEU A 170 -10.268 -1.183 -6.398 1.00 0.29 H new ATOM 0 HD23 LEU A 170 -11.701 -1.344 -5.355 1.00 0.29 H new ATOM 94 N GLU A 171 -11.459 -3.793 -2.100 1.00 0.19 N ATOM 95 CA GLU A 171 -12.645 -3.691 -1.254 1.00 0.24 C ATOM 96 C GLU A 171 -12.288 -4.008 0.192 1.00 0.22 C ATOM 97 O GLU A 171 -12.832 -3.412 1.123 1.00 0.26 O ATOM 98 CB GLU A 171 -13.753 -4.633 -1.737 1.00 0.36 C ATOM 99 CG GLU A 171 -13.352 -6.100 -1.749 1.00 1.00 C ATOM 100 CD GLU A 171 -14.519 -7.025 -2.006 1.00 1.16 C ATOM 101 OE1 GLU A 171 -14.907 -7.186 -3.183 1.00 1.10 O ATOM 102 OE2 GLU A 171 -15.057 -7.593 -1.035 1.00 1.46 O ATOM 0 H GLU A 171 -11.534 -4.478 -2.852 1.00 0.19 H new ATOM 0 HA GLU A 171 -13.016 -2.668 -1.317 1.00 0.24 H new ATOM 0 HB2 GLU A 171 -14.626 -4.510 -1.096 1.00 0.36 H new ATOM 0 HB3 GLU A 171 -14.053 -4.340 -2.743 1.00 0.36 H new ATOM 0 HG2 GLU A 171 -12.594 -6.258 -2.516 1.00 1.00 H new ATOM 0 HG3 GLU A 171 -12.896 -6.355 -0.792 1.00 1.00 H new ATOM 109 N GLY A 172 -11.355 -4.937 0.364 1.00 0.19 N ATOM 110 CA GLY A 172 -10.895 -5.288 1.683 1.00 0.22 C ATOM 111 C GLY A 172 -10.221 -4.124 2.372 1.00 0.19 C ATOM 112 O GLY A 172 -10.610 -3.742 3.479 1.00 0.22 O ATOM 0 H GLY A 172 -10.910 -5.453 -0.395 1.00 0.19 H new ATOM 0 HA2 GLY A 172 -11.739 -5.627 2.284 1.00 0.22 H new ATOM 0 HA3 GLY A 172 -10.197 -6.123 1.614 1.00 0.22 H new ATOM 116 N TYR A 173 -9.218 -3.541 1.720 1.00 0.17 N ATOM 117 CA TYR A 173 -8.482 -2.435 2.308 1.00 0.16 C ATOM 118 C TYR A 173 -9.358 -1.192 2.400 1.00 0.16 C ATOM 119 O TYR A 173 -9.317 -0.491 3.400 1.00 0.18 O ATOM 120 CB TYR A 173 -7.205 -2.141 1.519 1.00 0.17 C ATOM 121 CG TYR A 173 -6.330 -1.096 2.176 1.00 0.16 C ATOM 122 CD1 TYR A 173 -5.903 -1.243 3.487 1.00 0.19 C ATOM 123 CD2 TYR A 173 -5.913 0.028 1.471 1.00 0.17 C ATOM 124 CE1 TYR A 173 -5.084 -0.300 4.079 1.00 0.20 C ATOM 125 CE2 TYR A 173 -5.097 0.976 2.058 1.00 0.20 C ATOM 126 CZ TYR A 173 -4.761 0.841 3.407 1.00 0.19 C ATOM 127 OH TYR A 173 -3.862 1.740 3.946 1.00 0.24 O ATOM 0 H TYR A 173 -8.901 -3.817 0.791 1.00 0.17 H new ATOM 0 HA TYR A 173 -8.192 -2.725 3.318 1.00 0.16 H new ATOM 0 HB2 TYR A 173 -6.635 -3.063 1.404 1.00 0.17 H new ATOM 0 HB3 TYR A 173 -7.473 -1.805 0.517 1.00 0.17 H new ATOM 0 HD1 TYR A 173 -6.215 -2.107 4.054 1.00 0.19 H new ATOM 0 HD2 TYR A 173 -6.232 0.162 0.448 1.00 0.17 H new ATOM 0 HE1 TYR A 173 -4.700 -0.467 5.074 1.00 0.20 H new ATOM 0 HE2 TYR A 173 -4.724 1.810 1.482 1.00 0.20 H new ATOM 0 HH TYR A 173 -3.748 2.496 3.333 1.00 0.24 H new ATOM 137 N ARG A 174 -10.160 -0.924 1.369 1.00 0.18 N ATOM 138 CA ARG A 174 -11.121 0.180 1.398 1.00 0.23 C ATOM 139 C ARG A 174 -12.064 0.049 2.588 1.00 0.23 C ATOM 140 O ARG A 174 -12.359 1.049 3.243 1.00 0.25 O ATOM 141 CB ARG A 174 -11.934 0.261 0.102 1.00 0.31 C ATOM 142 CG ARG A 174 -13.076 1.261 0.188 1.00 0.93 C ATOM 143 CD ARG A 174 -13.980 1.221 -1.032 1.00 0.74 C ATOM 144 NE ARG A 174 -15.208 1.986 -0.806 1.00 1.05 N ATOM 145 CZ ARG A 174 -15.928 2.566 -1.765 1.00 1.35 C ATOM 146 NH1 ARG A 174 -15.546 2.489 -3.035 1.00 1.31 N ATOM 147 NH2 ARG A 174 -17.030 3.234 -1.449 1.00 2.09 N ATOM 0 H ARG A 174 -10.163 -1.458 0.500 1.00 0.18 H new ATOM 0 HA ARG A 174 -10.545 1.100 1.497 1.00 0.23 H new ATOM 0 HB2 ARG A 174 -11.274 0.539 -0.720 1.00 0.31 H new ATOM 0 HB3 ARG A 174 -12.336 -0.725 -0.132 1.00 0.31 H new ATOM 0 HG2 ARG A 174 -13.667 1.056 1.081 1.00 0.93 H new ATOM 0 HG3 ARG A 174 -12.667 2.265 0.300 1.00 0.93 H new ATOM 0 HD2 ARG A 174 -13.450 1.626 -1.894 1.00 0.74 H new ATOM 0 HD3 ARG A 174 -14.231 0.187 -1.268 1.00 0.74 H new ATOM 0 HE ARG A 174 -15.536 2.082 0.155 1.00 1.05 H new ATOM 0 HH11 ARG A 174 -14.696 1.983 -3.282 1.00 1.31 H new ATOM 0 HH12 ARG A 174 -16.103 2.936 -3.763 1.00 1.31 H new ATOM 0 HH21 ARG A 174 -17.323 3.302 -0.474 1.00 2.09 H new ATOM 0 HH22 ARG A 174 -17.584 3.679 -2.181 1.00 2.09 H new ATOM 161 N LYS A 175 -12.521 -1.157 2.893 1.00 0.22 N ATOM 162 CA LYS A 175 -13.364 -1.346 4.067 1.00 0.25 C ATOM 163 C LYS A 175 -12.592 -0.999 5.347 1.00 0.24 C ATOM 164 O LYS A 175 -13.190 -0.621 6.357 1.00 0.29 O ATOM 165 CB LYS A 175 -13.922 -2.772 4.113 1.00 0.26 C ATOM 166 CG LYS A 175 -14.490 -3.173 5.464 1.00 0.89 C ATOM 167 CD LYS A 175 -15.032 -4.586 5.439 1.00 0.84 C ATOM 168 CE LYS A 175 -15.145 -5.158 6.841 1.00 1.71 C ATOM 169 NZ LYS A 175 -13.806 -5.360 7.457 1.00 2.34 N ATOM 0 H LYS A 175 -12.328 -2.004 2.358 1.00 0.22 H new ATOM 0 HA LYS A 175 -14.213 -0.666 3.998 1.00 0.25 H new ATOM 0 HB2 LYS A 175 -14.703 -2.869 3.359 1.00 0.26 H new ATOM 0 HB3 LYS A 175 -13.129 -3.470 3.843 1.00 0.26 H new ATOM 0 HG2 LYS A 175 -13.714 -3.093 6.225 1.00 0.89 H new ATOM 0 HG3 LYS A 175 -15.285 -2.482 5.746 1.00 0.89 H new ATOM 0 HD2 LYS A 175 -16.011 -4.594 4.961 1.00 0.84 H new ATOM 0 HD3 LYS A 175 -14.379 -5.218 4.838 1.00 0.84 H new ATOM 0 HE2 LYS A 175 -15.735 -4.485 7.463 1.00 1.71 H new ATOM 0 HE3 LYS A 175 -15.677 -6.108 6.806 1.00 1.71 H new ATOM 0 HZ1 LYS A 175 -13.873 -6.079 8.205 1.00 2.34 H new ATOM 0 HZ2 LYS A 175 -13.134 -5.678 6.730 1.00 2.34 H new ATOM 0 HZ3 LYS A 175 -13.474 -4.464 7.867 1.00 2.34 H new ATOM 183 N GLU A 176 -11.269 -1.096 5.295 1.00 0.20 N ATOM 184 CA GLU A 176 -10.448 -0.712 6.432 1.00 0.18 C ATOM 185 C GLU A 176 -10.230 0.802 6.421 1.00 0.20 C ATOM 186 O GLU A 176 -10.374 1.472 7.443 1.00 0.44 O ATOM 187 CB GLU A 176 -9.099 -1.436 6.421 1.00 0.19 C ATOM 188 CG GLU A 176 -8.444 -1.484 7.791 1.00 0.24 C ATOM 189 CD GLU A 176 -9.231 -2.337 8.769 1.00 0.34 C ATOM 190 OE1 GLU A 176 -10.117 -1.793 9.459 1.00 0.69 O ATOM 191 OE2 GLU A 176 -8.959 -3.553 8.870 1.00 0.70 O ATOM 0 H GLU A 176 -10.748 -1.434 4.486 1.00 0.20 H new ATOM 0 HA GLU A 176 -10.973 -1.001 7.343 1.00 0.18 H new ATOM 0 HB2 GLU A 176 -9.241 -2.453 6.056 1.00 0.19 H new ATOM 0 HB3 GLU A 176 -8.430 -0.936 5.721 1.00 0.19 H new ATOM 0 HG2 GLU A 176 -7.433 -1.881 7.696 1.00 0.24 H new ATOM 0 HG3 GLU A 176 -8.353 -0.472 8.185 1.00 0.24 H new ATOM 198 N GLN A 177 -9.883 1.327 5.245 1.00 0.29 N ATOM 199 CA GLN A 177 -9.673 2.761 5.039 1.00 0.22 C ATOM 200 C GLN A 177 -10.840 3.591 5.552 1.00 0.25 C ATOM 201 O GLN A 177 -10.663 4.433 6.423 1.00 0.25 O ATOM 202 CB GLN A 177 -9.469 3.059 3.555 1.00 0.21 C ATOM 203 CG GLN A 177 -8.338 2.275 2.923 1.00 0.20 C ATOM 204 CD GLN A 177 -8.130 2.627 1.463 1.00 0.22 C ATOM 205 OE1 GLN A 177 -8.740 2.033 0.579 1.00 0.24 O ATOM 206 NE2 GLN A 177 -7.257 3.585 1.201 1.00 0.24 N ATOM 0 H GLN A 177 -9.739 0.767 4.405 1.00 0.29 H new ATOM 0 HA GLN A 177 -8.782 3.035 5.605 1.00 0.22 H new ATOM 0 HB2 GLN A 177 -10.393 2.841 3.020 1.00 0.21 H new ATOM 0 HB3 GLN A 177 -9.273 4.124 3.432 1.00 0.21 H new ATOM 0 HG2 GLN A 177 -7.417 2.465 3.474 1.00 0.20 H new ATOM 0 HG3 GLN A 177 -8.547 1.209 3.010 1.00 0.20 H new ATOM 0 HE21 GLN A 177 -6.771 4.055 1.965 1.00 0.24 H new ATOM 0 HE22 GLN A 177 -7.070 3.854 0.235 1.00 0.24 H new ATOM 215 N GLU A 178 -12.032 3.338 5.025 1.00 0.27 N ATOM 216 CA GLU A 178 -13.203 4.137 5.386 1.00 0.31 C ATOM 217 C GLU A 178 -13.501 4.037 6.883 1.00 0.33 C ATOM 218 O GLU A 178 -14.033 4.966 7.486 1.00 0.36 O ATOM 219 CB GLU A 178 -14.423 3.712 4.565 1.00 0.35 C ATOM 220 CG GLU A 178 -14.781 2.246 4.701 1.00 0.39 C ATOM 221 CD GLU A 178 -16.006 1.882 3.894 1.00 0.46 C ATOM 222 OE1 GLU A 178 -15.855 1.562 2.699 1.00 0.41 O ATOM 223 OE2 GLU A 178 -17.125 1.908 4.450 1.00 0.71 O ATOM 0 H GLU A 178 -12.216 2.594 4.352 1.00 0.27 H new ATOM 0 HA GLU A 178 -12.979 5.179 5.157 1.00 0.31 H new ATOM 0 HB2 GLU A 178 -15.280 4.314 4.869 1.00 0.35 H new ATOM 0 HB3 GLU A 178 -14.235 3.933 3.514 1.00 0.35 H new ATOM 0 HG2 GLU A 178 -13.939 1.636 4.375 1.00 0.39 H new ATOM 0 HG3 GLU A 178 -14.957 2.012 5.751 1.00 0.39 H new ATOM 230 N ARG A 179 -13.140 2.908 7.471 1.00 0.34 N ATOM 231 CA ARG A 179 -13.333 2.673 8.898 1.00 0.40 C ATOM 232 C ARG A 179 -12.383 3.528 9.744 1.00 0.35 C ATOM 233 O ARG A 179 -12.686 3.866 10.887 1.00 0.38 O ATOM 234 CB ARG A 179 -13.093 1.191 9.198 1.00 0.48 C ATOM 235 CG ARG A 179 -13.139 0.838 10.674 1.00 0.65 C ATOM 236 CD ARG A 179 -12.629 -0.572 10.916 1.00 0.83 C ATOM 237 NE ARG A 179 -12.554 -0.893 12.338 1.00 1.03 N ATOM 238 CZ ARG A 179 -11.571 -1.606 12.890 1.00 1.80 C ATOM 239 NH1 ARG A 179 -10.557 -2.045 12.147 1.00 2.15 N ATOM 240 NH2 ARG A 179 -11.595 -1.871 14.190 1.00 2.55 N ATOM 0 H ARG A 179 -12.706 2.129 6.977 1.00 0.34 H new ATOM 0 HA ARG A 179 -14.354 2.953 9.157 1.00 0.40 H new ATOM 0 HB2 ARG A 179 -13.842 0.600 8.671 1.00 0.48 H new ATOM 0 HB3 ARG A 179 -12.121 0.904 8.798 1.00 0.48 H new ATOM 0 HG2 ARG A 179 -12.536 1.548 11.240 1.00 0.65 H new ATOM 0 HG3 ARG A 179 -14.162 0.926 11.040 1.00 0.65 H new ATOM 0 HD2 ARG A 179 -13.286 -1.285 10.418 1.00 0.83 H new ATOM 0 HD3 ARG A 179 -11.642 -0.682 10.468 1.00 0.83 H new ATOM 0 HE ARG A 179 -13.298 -0.551 12.946 1.00 1.03 H new ATOM 0 HH11 ARG A 179 -10.528 -1.837 11.149 1.00 2.15 H new ATOM 0 HH12 ARG A 179 -9.809 -2.590 12.576 1.00 2.15 H new ATOM 0 HH21 ARG A 179 -12.365 -1.530 14.766 1.00 2.55 H new ATOM 0 HH22 ARG A 179 -10.844 -2.416 14.613 1.00 2.55 H new ATOM 254 N LEU A 180 -11.249 3.892 9.167 1.00 0.30 N ATOM 255 CA LEU A 180 -10.158 4.507 9.920 1.00 0.28 C ATOM 256 C LEU A 180 -9.789 5.889 9.381 1.00 0.25 C ATOM 257 O LEU A 180 -9.001 6.602 9.999 1.00 0.24 O ATOM 258 CB LEU A 180 -8.922 3.603 9.876 1.00 0.28 C ATOM 259 CG LEU A 180 -9.130 2.176 10.391 1.00 0.33 C ATOM 260 CD1 LEU A 180 -7.835 1.384 10.313 1.00 0.35 C ATOM 261 CD2 LEU A 180 -9.655 2.192 11.818 1.00 0.38 C ATOM 0 H LEU A 180 -11.056 3.773 8.173 1.00 0.30 H new ATOM 0 HA LEU A 180 -10.503 4.629 10.947 1.00 0.28 H new ATOM 0 HB2 LEU A 180 -8.568 3.551 8.846 1.00 0.28 H new ATOM 0 HB3 LEU A 180 -8.131 4.070 10.462 1.00 0.28 H new ATOM 0 HG LEU A 180 -9.871 1.690 9.756 1.00 0.33 H new ATOM 0 HD11 LEU A 180 -8.004 0.373 10.683 1.00 0.35 H new ATOM 0 HD12 LEU A 180 -7.498 1.339 9.277 1.00 0.35 H new ATOM 0 HD13 LEU A 180 -7.073 1.871 10.922 1.00 0.35 H new ATOM 0 HD21 LEU A 180 -9.796 1.168 12.165 1.00 0.38 H new ATOM 0 HD22 LEU A 180 -8.938 2.699 12.464 1.00 0.38 H new ATOM 0 HD23 LEU A 180 -10.608 2.720 11.849 1.00 0.38 H new ATOM 273 N GLY A 181 -10.344 6.266 8.241 1.00 0.24 N ATOM 274 CA GLY A 181 -10.057 7.573 7.677 1.00 0.22 C ATOM 275 C GLY A 181 -8.865 7.547 6.740 1.00 0.18 C ATOM 276 O GLY A 181 -8.477 8.576 6.184 1.00 0.18 O ATOM 0 H GLY A 181 -10.988 5.694 7.694 1.00 0.24 H new ATOM 0 HA2 GLY A 181 -10.933 7.933 7.137 1.00 0.22 H new ATOM 0 HA3 GLY A 181 -9.866 8.280 8.484 1.00 0.22 H new ATOM 280 N ILE A 182 -8.285 6.364 6.574 1.00 0.17 N ATOM 281 CA ILE A 182 -7.105 6.185 5.733 1.00 0.16 C ATOM 282 C ILE A 182 -7.403 6.575 4.286 1.00 0.15 C ATOM 283 O ILE A 182 -8.347 6.061 3.683 1.00 0.17 O ATOM 284 CB ILE A 182 -6.613 4.722 5.773 1.00 0.17 C ATOM 285 CG1 ILE A 182 -6.347 4.286 7.217 1.00 0.20 C ATOM 286 CG2 ILE A 182 -5.357 4.562 4.928 1.00 0.19 C ATOM 287 CD1 ILE A 182 -5.956 2.829 7.353 1.00 0.22 C ATOM 0 H ILE A 182 -8.616 5.506 7.015 1.00 0.17 H new ATOM 0 HA ILE A 182 -6.324 6.835 6.127 1.00 0.16 H new ATOM 0 HB ILE A 182 -7.392 4.083 5.358 1.00 0.17 H new ATOM 0 HG12 ILE A 182 -5.553 4.906 7.634 1.00 0.20 H new ATOM 0 HG13 ILE A 182 -7.241 4.470 7.813 1.00 0.20 H new ATOM 0 HG21 ILE A 182 -5.022 3.525 4.966 1.00 0.19 H new ATOM 0 HG22 ILE A 182 -5.576 4.835 3.896 1.00 0.19 H new ATOM 0 HG23 ILE A 182 -4.572 5.211 5.316 1.00 0.19 H new ATOM 0 HD11 ILE A 182 -5.784 2.595 8.404 1.00 0.22 H new ATOM 0 HD12 ILE A 182 -6.758 2.200 6.968 1.00 0.22 H new ATOM 0 HD13 ILE A 182 -5.044 2.643 6.786 1.00 0.22 H new ATOM 299 N PRO A 183 -6.611 7.499 3.715 1.00 0.14 N ATOM 300 CA PRO A 183 -6.802 7.955 2.340 1.00 0.15 C ATOM 301 C PRO A 183 -6.448 6.880 1.317 1.00 0.14 C ATOM 302 O PRO A 183 -5.550 6.062 1.525 1.00 0.16 O ATOM 303 CB PRO A 183 -5.848 9.145 2.214 1.00 0.20 C ATOM 304 CG PRO A 183 -4.795 8.901 3.237 1.00 0.24 C ATOM 305 CD PRO A 183 -5.470 8.168 4.366 1.00 0.15 C ATOM 0 HA PRO A 183 -7.844 8.208 2.141 1.00 0.15 H new ATOM 0 HB2 PRO A 183 -5.420 9.204 1.213 1.00 0.20 H new ATOM 0 HB3 PRO A 183 -6.365 10.087 2.396 1.00 0.20 H new ATOM 0 HG2 PRO A 183 -3.978 8.310 2.822 1.00 0.24 H new ATOM 0 HG3 PRO A 183 -4.364 9.840 3.585 1.00 0.24 H new ATOM 0 HD2 PRO A 183 -4.798 7.449 4.835 1.00 0.15 H new ATOM 0 HD3 PRO A 183 -5.800 8.853 5.147 1.00 0.15 H new ATOM 313 N TYR A 184 -7.188 6.894 0.219 1.00 0.15 N ATOM 314 CA TYR A 184 -6.959 5.996 -0.904 1.00 0.16 C ATOM 315 C TYR A 184 -5.637 6.310 -1.593 1.00 0.16 C ATOM 316 O TYR A 184 -4.967 5.428 -2.122 1.00 0.19 O ATOM 317 CB TYR A 184 -8.089 6.173 -1.911 1.00 0.17 C ATOM 318 CG TYR A 184 -8.926 4.938 -2.159 1.00 0.10 C ATOM 319 CD1 TYR A 184 -8.526 3.980 -3.079 1.00 0.23 C ATOM 320 CD2 TYR A 184 -10.135 4.750 -1.501 1.00 0.30 C ATOM 321 CE1 TYR A 184 -9.304 2.874 -3.342 1.00 0.27 C ATOM 322 CE2 TYR A 184 -10.915 3.639 -1.752 1.00 0.42 C ATOM 323 CZ TYR A 184 -10.496 2.705 -2.673 1.00 0.36 C ATOM 324 OH TYR A 184 -11.284 1.613 -2.946 1.00 0.50 O ATOM 0 H TYR A 184 -7.970 7.534 0.081 1.00 0.15 H new ATOM 0 HA TYR A 184 -6.925 4.972 -0.531 1.00 0.16 H new ATOM 0 HB2 TYR A 184 -8.743 6.973 -1.563 1.00 0.17 H new ATOM 0 HB3 TYR A 184 -7.662 6.500 -2.859 1.00 0.17 H new ATOM 0 HD1 TYR A 184 -7.587 4.103 -3.599 1.00 0.23 H new ATOM 0 HD2 TYR A 184 -10.470 5.484 -0.783 1.00 0.30 H new ATOM 0 HE1 TYR A 184 -8.981 2.143 -4.069 1.00 0.27 H new ATOM 0 HE2 TYR A 184 -11.850 3.503 -1.228 1.00 0.42 H new ATOM 0 HH TYR A 184 -12.010 1.876 -3.550 1.00 0.50 H new ATOM 334 N ASP A 185 -5.296 7.593 -1.594 1.00 0.16 N ATOM 335 CA ASP A 185 -4.135 8.097 -2.319 1.00 0.17 C ATOM 336 C ASP A 185 -2.866 7.913 -1.488 1.00 0.14 C ATOM 337 O ASP A 185 -2.794 8.367 -0.343 1.00 0.17 O ATOM 338 CB ASP A 185 -4.339 9.582 -2.618 1.00 0.27 C ATOM 339 CG ASP A 185 -3.500 10.086 -3.773 1.00 0.33 C ATOM 340 OD1 ASP A 185 -2.288 9.781 -3.793 1.00 0.58 O ATOM 341 OD2 ASP A 185 -4.037 10.765 -4.670 1.00 0.74 O ATOM 0 H ASP A 185 -5.816 8.313 -1.093 1.00 0.16 H new ATOM 0 HA ASP A 185 -4.026 7.540 -3.250 1.00 0.17 H new ATOM 0 HB2 ASP A 185 -5.392 9.759 -2.840 1.00 0.27 H new ATOM 0 HB3 ASP A 185 -4.100 10.160 -1.726 1.00 0.27 H new ATOM 346 N PRO A 186 -1.850 7.247 -2.072 1.00 0.13 N ATOM 347 CA PRO A 186 -0.586 6.936 -1.393 1.00 0.11 C ATOM 348 C PRO A 186 0.131 8.167 -0.868 1.00 0.12 C ATOM 349 O PRO A 186 0.727 8.129 0.202 1.00 0.13 O ATOM 350 CB PRO A 186 0.277 6.285 -2.483 1.00 0.13 C ATOM 351 CG PRO A 186 -0.392 6.630 -3.769 1.00 0.20 C ATOM 352 CD PRO A 186 -1.855 6.741 -3.452 1.00 0.18 C ATOM 0 HA PRO A 186 -0.769 6.306 -0.523 1.00 0.11 H new ATOM 0 HB2 PRO A 186 1.298 6.665 -2.456 1.00 0.13 H new ATOM 0 HB3 PRO A 186 0.335 5.205 -2.347 1.00 0.13 H new ATOM 0 HG2 PRO A 186 -0.007 7.567 -4.171 1.00 0.20 H new ATOM 0 HG3 PRO A 186 -0.212 5.862 -4.522 1.00 0.20 H new ATOM 0 HD2 PRO A 186 -2.366 7.423 -4.131 1.00 0.18 H new ATOM 0 HD3 PRO A 186 -2.360 5.778 -3.528 1.00 0.18 H new ATOM 360 N ILE A 187 0.076 9.249 -1.630 1.00 0.13 N ATOM 361 CA ILE A 187 0.833 10.450 -1.312 1.00 0.17 C ATOM 362 C ILE A 187 0.393 11.081 0.012 1.00 0.19 C ATOM 363 O ILE A 187 1.188 11.743 0.677 1.00 0.22 O ATOM 364 CB ILE A 187 0.744 11.499 -2.450 1.00 0.25 C ATOM 365 CG1 ILE A 187 1.796 12.594 -2.254 1.00 0.42 C ATOM 366 CG2 ILE A 187 -0.646 12.109 -2.519 1.00 0.29 C ATOM 367 CD1 ILE A 187 1.849 13.603 -3.384 1.00 0.55 C ATOM 0 H ILE A 187 -0.488 9.320 -2.477 1.00 0.13 H new ATOM 0 HA ILE A 187 1.871 10.134 -1.206 1.00 0.17 H new ATOM 0 HB ILE A 187 0.941 10.991 -3.394 1.00 0.25 H new ATOM 0 HG12 ILE A 187 1.591 13.119 -1.321 1.00 0.42 H new ATOM 0 HG13 ILE A 187 2.776 12.128 -2.149 1.00 0.42 H new ATOM 0 HG21 ILE A 187 -0.682 12.842 -3.325 1.00 0.29 H new ATOM 0 HG22 ILE A 187 -1.379 11.324 -2.708 1.00 0.29 H new ATOM 0 HG23 ILE A 187 -0.876 12.599 -1.573 1.00 0.29 H new ATOM 0 HD11 ILE A 187 2.618 14.346 -3.172 1.00 0.55 H new ATOM 0 HD12 ILE A 187 2.085 13.092 -4.317 1.00 0.55 H new ATOM 0 HD13 ILE A 187 0.882 14.097 -3.476 1.00 0.55 H new ATOM 379 N HIS A 188 -0.861 10.889 0.412 1.00 0.18 N ATOM 380 CA HIS A 188 -1.343 11.503 1.641 1.00 0.20 C ATOM 381 C HIS A 188 -1.318 10.537 2.821 1.00 0.19 C ATOM 382 O HIS A 188 -1.864 10.853 3.880 1.00 0.22 O ATOM 383 CB HIS A 188 -2.759 12.061 1.462 1.00 0.25 C ATOM 384 CG HIS A 188 -2.842 13.202 0.500 1.00 0.32 C ATOM 385 ND1 HIS A 188 -2.307 14.432 0.799 1.00 0.39 N ATOM 386 CD2 HIS A 188 -3.401 13.249 -0.732 1.00 0.42 C ATOM 387 CE1 HIS A 188 -2.549 15.196 -0.252 1.00 0.48 C ATOM 388 NE2 HIS A 188 -3.209 14.523 -1.203 1.00 0.50 N ATOM 0 H HIS A 188 -1.548 10.324 -0.087 1.00 0.18 H new ATOM 0 HA HIS A 188 -0.659 12.322 1.863 1.00 0.20 H new ATOM 0 HB2 HIS A 188 -3.414 11.260 1.119 1.00 0.25 H new ATOM 0 HB3 HIS A 188 -3.136 12.387 2.431 1.00 0.25 H new ATOM 0 HD2 HIS A 188 -3.901 12.440 -1.245 1.00 0.42 H new ATOM 0 HE1 HIS A 188 -2.252 16.231 -0.333 1.00 0.48 H new ATOM 0 HE2 HIS A 188 -3.512 14.888 -2.106 1.00 0.50 H new ATOM 396 N TRP A 189 -0.703 9.362 2.664 1.00 0.18 N ATOM 397 CA TRP A 189 -0.625 8.428 3.786 1.00 0.19 C ATOM 398 C TRP A 189 0.270 8.998 4.875 1.00 0.20 C ATOM 399 O TRP A 189 1.250 9.689 4.591 1.00 0.20 O ATOM 400 CB TRP A 189 -0.047 7.061 3.401 1.00 0.18 C ATOM 401 CG TRP A 189 -0.877 6.207 2.503 1.00 0.15 C ATOM 402 CD1 TRP A 189 -2.236 6.170 2.403 1.00 0.18 C ATOM 403 CD2 TRP A 189 -0.374 5.213 1.604 1.00 0.12 C ATOM 404 NE1 TRP A 189 -2.610 5.229 1.475 1.00 0.15 N ATOM 405 CE2 TRP A 189 -1.483 4.627 0.973 1.00 0.12 C ATOM 406 CE3 TRP A 189 0.916 4.770 1.265 1.00 0.11 C ATOM 407 CZ2 TRP A 189 -1.345 3.618 0.024 1.00 0.12 C ATOM 408 CZ3 TRP A 189 1.051 3.770 0.322 1.00 0.12 C ATOM 409 CH2 TRP A 189 -0.075 3.204 -0.289 1.00 0.12 C ATOM 0 H TRP A 189 -0.265 9.043 1.800 1.00 0.18 H new ATOM 0 HA TRP A 189 -1.651 8.290 4.126 1.00 0.19 H new ATOM 0 HB2 TRP A 189 0.917 7.224 2.919 1.00 0.18 H new ATOM 0 HB3 TRP A 189 0.145 6.503 4.318 1.00 0.18 H new ATOM 0 HD1 TRP A 189 -2.917 6.788 2.969 1.00 0.18 H new ATOM 0 HE1 TRP A 189 -3.569 5.013 1.203 1.00 0.15 H new ATOM 0 HE3 TRP A 189 1.787 5.204 1.734 1.00 0.11 H new ATOM 0 HZ2 TRP A 189 -2.209 3.176 -0.450 1.00 0.12 H new ATOM 0 HZ3 TRP A 189 2.037 3.420 0.053 1.00 0.12 H new ATOM 0 HH2 TRP A 189 0.060 2.424 -1.023 1.00 0.12 H new ATOM 420 N SER A 190 -0.069 8.721 6.116 1.00 0.23 N ATOM 421 CA SER A 190 0.830 9.018 7.209 1.00 0.25 C ATOM 422 C SER A 190 1.551 7.742 7.610 1.00 0.25 C ATOM 423 O SER A 190 1.107 6.652 7.257 1.00 0.25 O ATOM 424 CB SER A 190 0.064 9.613 8.390 1.00 0.29 C ATOM 425 OG SER A 190 0.947 10.221 9.317 1.00 1.18 O ATOM 0 H SER A 190 -0.953 8.294 6.391 1.00 0.23 H new ATOM 0 HA SER A 190 1.563 9.759 6.891 1.00 0.25 H new ATOM 0 HB2 SER A 190 -0.653 10.350 8.028 1.00 0.29 H new ATOM 0 HB3 SER A 190 -0.508 8.830 8.888 1.00 0.29 H new ATOM 0 HG SER A 190 0.432 10.595 10.062 1.00 1.18 H new ATOM 431 N THR A 191 2.645 7.892 8.350 1.00 0.26 N ATOM 432 CA THR A 191 3.529 6.785 8.713 1.00 0.28 C ATOM 433 C THR A 191 2.759 5.537 9.155 1.00 0.25 C ATOM 434 O THR A 191 3.014 4.432 8.670 1.00 0.25 O ATOM 435 CB THR A 191 4.461 7.225 9.851 1.00 0.31 C ATOM 436 OG1 THR A 191 4.672 8.643 9.773 1.00 0.74 O ATOM 437 CG2 THR A 191 5.796 6.505 9.766 1.00 0.62 C ATOM 0 H THR A 191 2.947 8.793 8.719 1.00 0.26 H new ATOM 0 HA THR A 191 4.099 6.524 7.822 1.00 0.28 H new ATOM 0 HB THR A 191 3.993 6.971 10.802 1.00 0.31 H new ATOM 0 HG1 THR A 191 5.265 8.926 10.500 1.00 0.74 H new ATOM 0 HG21 THR A 191 6.439 6.833 10.583 1.00 0.62 H new ATOM 0 HG22 THR A 191 5.635 5.430 9.841 1.00 0.62 H new ATOM 0 HG23 THR A 191 6.273 6.735 8.813 1.00 0.62 H new ATOM 445 N ASP A 192 1.807 5.730 10.058 1.00 0.24 N ATOM 446 CA ASP A 192 1.012 4.633 10.605 1.00 0.24 C ATOM 447 C ASP A 192 0.176 3.962 9.512 1.00 0.23 C ATOM 448 O ASP A 192 0.143 2.741 9.407 1.00 0.25 O ATOM 449 CB ASP A 192 0.115 5.182 11.725 1.00 0.29 C ATOM 450 CG ASP A 192 -0.716 4.127 12.430 1.00 1.06 C ATOM 451 OD1 ASP A 192 -0.161 3.085 12.824 1.00 1.37 O ATOM 452 OD2 ASP A 192 -1.928 4.363 12.639 1.00 1.75 O ATOM 0 H ASP A 192 1.563 6.647 10.432 1.00 0.24 H new ATOM 0 HA ASP A 192 1.677 3.872 11.013 1.00 0.24 H new ATOM 0 HB2 ASP A 192 0.740 5.687 12.461 1.00 0.29 H new ATOM 0 HB3 ASP A 192 -0.553 5.934 11.304 1.00 0.29 H new ATOM 457 N GLN A 193 -0.469 4.776 8.679 1.00 0.22 N ATOM 458 CA GLN A 193 -1.328 4.289 7.591 1.00 0.21 C ATOM 459 C GLN A 193 -0.527 3.693 6.432 1.00 0.17 C ATOM 460 O GLN A 193 -1.007 2.765 5.781 1.00 0.14 O ATOM 461 CB GLN A 193 -2.217 5.416 7.075 1.00 0.24 C ATOM 462 CG GLN A 193 -3.072 6.060 8.150 1.00 0.30 C ATOM 463 CD GLN A 193 -3.747 7.325 7.668 1.00 0.41 C ATOM 464 OE1 GLN A 193 -3.218 8.035 6.813 1.00 1.34 O ATOM 465 NE2 GLN A 193 -4.914 7.618 8.213 1.00 0.85 N ATOM 0 H GLN A 193 -0.414 5.793 8.736 1.00 0.22 H new ATOM 0 HA GLN A 193 -1.944 3.492 8.007 1.00 0.21 H new ATOM 0 HB2 GLN A 193 -1.590 6.180 6.616 1.00 0.24 H new ATOM 0 HB3 GLN A 193 -2.867 5.025 6.292 1.00 0.24 H new ATOM 0 HG2 GLN A 193 -3.830 5.350 8.481 1.00 0.30 H new ATOM 0 HG3 GLN A 193 -2.451 6.290 9.016 1.00 0.30 H new ATOM 0 HE21 GLN A 193 -5.317 7.001 8.919 1.00 0.85 H new ATOM 0 HE22 GLN A 193 -5.413 8.461 7.928 1.00 0.85 H new ATOM 474 N VAL A 194 0.656 4.214 6.164 1.00 0.16 N ATOM 475 CA VAL A 194 1.534 3.587 5.170 1.00 0.14 C ATOM 476 C VAL A 194 1.716 2.106 5.513 1.00 0.13 C ATOM 477 O VAL A 194 1.659 1.231 4.648 1.00 0.13 O ATOM 478 CB VAL A 194 2.923 4.267 5.105 1.00 0.16 C ATOM 479 CG1 VAL A 194 3.806 3.606 4.055 1.00 0.17 C ATOM 480 CG2 VAL A 194 2.789 5.749 4.810 1.00 0.17 C ATOM 0 H VAL A 194 1.034 5.052 6.606 1.00 0.16 H new ATOM 0 HA VAL A 194 1.060 3.701 4.195 1.00 0.14 H new ATOM 0 HB VAL A 194 3.393 4.147 6.081 1.00 0.16 H new ATOM 0 HG11 VAL A 194 4.776 4.103 4.030 1.00 0.17 H new ATOM 0 HG12 VAL A 194 3.944 2.554 4.305 1.00 0.17 H new ATOM 0 HG13 VAL A 194 3.331 3.687 3.077 1.00 0.17 H new ATOM 0 HG21 VAL A 194 3.779 6.203 4.770 1.00 0.17 H new ATOM 0 HG22 VAL A 194 2.288 5.885 3.852 1.00 0.17 H new ATOM 0 HG23 VAL A 194 2.203 6.225 5.596 1.00 0.17 H new ATOM 490 N LEU A 195 1.875 1.842 6.797 1.00 0.14 N ATOM 491 CA LEU A 195 2.048 0.487 7.300 1.00 0.14 C ATOM 492 C LEU A 195 0.727 -0.125 7.773 1.00 0.12 C ATOM 493 O LEU A 195 0.702 -1.308 8.097 1.00 0.14 O ATOM 494 CB LEU A 195 3.119 0.423 8.390 1.00 0.16 C ATOM 495 CG LEU A 195 4.470 1.027 8.006 1.00 0.18 C ATOM 496 CD1 LEU A 195 5.409 1.029 9.202 1.00 0.23 C ATOM 497 CD2 LEU A 195 5.086 0.261 6.843 1.00 0.18 C ATOM 0 H LEU A 195 1.888 2.559 7.522 1.00 0.14 H new ATOM 0 HA LEU A 195 2.396 -0.118 6.463 1.00 0.14 H new ATOM 0 HB2 LEU A 195 2.746 0.938 9.275 1.00 0.16 H new ATOM 0 HB3 LEU A 195 3.270 -0.620 8.669 1.00 0.16 H new ATOM 0 HG LEU A 195 4.311 2.058 7.691 1.00 0.18 H new ATOM 0 HD11 LEU A 195 6.366 1.462 8.912 1.00 0.23 H new ATOM 0 HD12 LEU A 195 4.972 1.620 10.007 1.00 0.23 H new ATOM 0 HD13 LEU A 195 5.563 0.006 9.546 1.00 0.23 H new ATOM 0 HD21 LEU A 195 6.047 0.705 6.583 1.00 0.18 H new ATOM 0 HD22 LEU A 195 5.233 -0.780 7.130 1.00 0.18 H new ATOM 0 HD23 LEU A 195 4.420 0.309 5.982 1.00 0.18 H new ATOM 509 N HIS A 196 -0.369 0.620 7.805 1.00 0.11 N ATOM 510 CA HIS A 196 -1.671 -0.047 7.892 1.00 0.10 C ATOM 511 C HIS A 196 -1.931 -0.774 6.582 1.00 0.09 C ATOM 512 O HIS A 196 -2.532 -1.843 6.545 1.00 0.12 O ATOM 513 CB HIS A 196 -2.828 0.915 8.176 1.00 0.13 C ATOM 514 CG HIS A 196 -3.005 1.230 9.621 1.00 0.16 C ATOM 515 ND1 HIS A 196 -3.411 0.274 10.515 1.00 0.30 N ATOM 516 CD2 HIS A 196 -2.814 2.393 10.273 1.00 0.30 C ATOM 517 CE1 HIS A 196 -3.455 0.873 11.688 1.00 0.30 C ATOM 518 NE2 HIS A 196 -3.098 2.162 11.594 1.00 0.28 N ATOM 0 H HIS A 196 -0.393 1.639 7.774 1.00 0.11 H new ATOM 0 HA HIS A 196 -1.627 -0.739 8.733 1.00 0.10 H new ATOM 0 HB2 HIS A 196 -2.660 1.843 7.629 1.00 0.13 H new ATOM 0 HB3 HIS A 196 -3.752 0.482 7.792 1.00 0.13 H new ATOM 0 HD2 HIS A 196 -2.497 3.329 9.838 1.00 0.30 H new ATOM 0 HE1 HIS A 196 -3.742 0.387 12.609 1.00 0.30 H new ATOM 0 HE2 HIS A 196 -3.048 2.838 12.356 1.00 0.28 H new ATOM 526 N TRP A 197 -1.421 -0.181 5.516 1.00 0.10 N ATOM 527 CA TRP A 197 -1.562 -0.726 4.175 1.00 0.09 C ATOM 528 C TRP A 197 -0.579 -1.866 3.964 1.00 0.10 C ATOM 529 O TRP A 197 -0.986 -2.949 3.558 1.00 0.13 O ATOM 530 CB TRP A 197 -1.354 0.384 3.136 1.00 0.09 C ATOM 531 CG TRP A 197 -1.242 -0.095 1.718 1.00 0.07 C ATOM 532 CD1 TRP A 197 -2.238 -0.612 0.945 1.00 0.09 C ATOM 533 CD2 TRP A 197 -0.067 -0.073 0.897 1.00 0.07 C ATOM 534 NE1 TRP A 197 -1.752 -0.935 -0.299 1.00 0.08 N ATOM 535 CE2 TRP A 197 -0.423 -0.607 -0.355 1.00 0.07 C ATOM 536 CE3 TRP A 197 1.254 0.341 1.101 1.00 0.12 C ATOM 537 CZ2 TRP A 197 0.493 -0.736 -1.396 1.00 0.10 C ATOM 538 CZ3 TRP A 197 2.160 0.215 0.064 1.00 0.16 C ATOM 539 CH2 TRP A 197 1.777 -0.319 -1.170 1.00 0.14 C ATOM 0 H TRP A 197 -0.897 0.693 5.555 1.00 0.10 H new ATOM 0 HA TRP A 197 -2.569 -1.125 4.053 1.00 0.09 H new ATOM 0 HB2 TRP A 197 -2.185 1.086 3.203 1.00 0.09 H new ATOM 0 HB3 TRP A 197 -0.449 0.936 3.391 1.00 0.09 H new ATOM 0 HD1 TRP A 197 -3.261 -0.748 1.264 1.00 0.09 H new ATOM 0 HE1 TRP A 197 -2.293 -1.351 -1.057 1.00 0.08 H new ATOM 0 HE3 TRP A 197 1.561 0.752 2.052 1.00 0.12 H new ATOM 0 HZ2 TRP A 197 0.200 -1.151 -2.349 1.00 0.10 H new ATOM 0 HZ3 TRP A 197 3.181 0.535 0.210 1.00 0.16 H new ATOM 0 HH2 TRP A 197 2.508 -0.404 -1.960 1.00 0.14 H new ATOM 550 N VAL A 198 0.698 -1.660 4.253 1.00 0.10 N ATOM 551 CA VAL A 198 1.676 -2.724 4.065 1.00 0.12 C ATOM 552 C VAL A 198 1.382 -3.936 4.965 1.00 0.13 C ATOM 553 O VAL A 198 1.585 -5.063 4.537 1.00 0.15 O ATOM 554 CB VAL A 198 3.129 -2.232 4.258 1.00 0.14 C ATOM 555 CG1 VAL A 198 4.121 -3.358 4.037 1.00 0.23 C ATOM 556 CG2 VAL A 198 3.439 -1.085 3.313 1.00 0.13 C ATOM 0 H VAL A 198 1.077 -0.784 4.612 1.00 0.10 H new ATOM 0 HA VAL A 198 1.580 -3.046 3.028 1.00 0.12 H new ATOM 0 HB VAL A 198 3.223 -1.881 5.286 1.00 0.14 H new ATOM 0 HG11 VAL A 198 5.135 -2.983 4.179 1.00 0.23 H new ATOM 0 HG12 VAL A 198 3.927 -4.159 4.750 1.00 0.23 H new ATOM 0 HG13 VAL A 198 4.015 -3.742 3.022 1.00 0.23 H new ATOM 0 HG21 VAL A 198 4.466 -0.755 3.466 1.00 0.13 H new ATOM 0 HG22 VAL A 198 3.315 -1.419 2.283 1.00 0.13 H new ATOM 0 HG23 VAL A 198 2.758 -0.257 3.511 1.00 0.13 H new ATOM 566 N VAL A 199 0.878 -3.733 6.178 1.00 0.13 N ATOM 567 CA VAL A 199 0.519 -4.872 7.034 1.00 0.14 C ATOM 568 C VAL A 199 -0.730 -5.592 6.511 1.00 0.13 C ATOM 569 O VAL A 199 -0.692 -6.784 6.211 1.00 0.15 O ATOM 570 CB VAL A 199 0.292 -4.447 8.506 1.00 0.18 C ATOM 571 CG1 VAL A 199 -0.315 -5.586 9.317 1.00 0.21 C ATOM 572 CG2 VAL A 199 1.601 -4.003 9.136 1.00 0.20 C ATOM 0 H VAL A 199 0.709 -2.815 6.589 1.00 0.13 H new ATOM 0 HA VAL A 199 1.366 -5.557 7.002 1.00 0.14 H new ATOM 0 HB VAL A 199 -0.407 -3.611 8.510 1.00 0.18 H new ATOM 0 HG11 VAL A 199 -0.464 -5.261 10.347 1.00 0.21 H new ATOM 0 HG12 VAL A 199 -1.274 -5.870 8.884 1.00 0.21 H new ATOM 0 HG13 VAL A 199 0.358 -6.443 9.301 1.00 0.21 H new ATOM 0 HG21 VAL A 199 1.425 -3.707 10.170 1.00 0.20 H new ATOM 0 HG22 VAL A 199 2.315 -4.826 9.110 1.00 0.20 H new ATOM 0 HG23 VAL A 199 2.004 -3.156 8.580 1.00 0.20 H new ATOM 582 N TRP A 200 -1.821 -4.850 6.397 1.00 0.13 N ATOM 583 CA TRP A 200 -3.102 -5.402 5.948 1.00 0.13 C ATOM 584 C TRP A 200 -2.977 -6.047 4.565 1.00 0.13 C ATOM 585 O TRP A 200 -3.397 -7.183 4.361 1.00 0.13 O ATOM 586 CB TRP A 200 -4.163 -4.296 5.923 1.00 0.14 C ATOM 587 CG TRP A 200 -5.575 -4.789 5.816 1.00 0.14 C ATOM 588 CD1 TRP A 200 -6.520 -4.771 6.798 1.00 0.15 C ATOM 589 CD2 TRP A 200 -6.203 -5.370 4.667 1.00 0.13 C ATOM 590 NE1 TRP A 200 -7.696 -5.301 6.330 1.00 0.16 N ATOM 591 CE2 TRP A 200 -7.525 -5.678 5.025 1.00 0.15 C ATOM 592 CE3 TRP A 200 -5.772 -5.660 3.373 1.00 0.13 C ATOM 593 CZ2 TRP A 200 -8.419 -6.258 4.134 1.00 0.15 C ATOM 594 CZ3 TRP A 200 -6.651 -6.238 2.489 1.00 0.14 C ATOM 595 CH2 TRP A 200 -7.964 -6.532 2.868 1.00 0.15 C ATOM 0 H TRP A 200 -1.850 -3.853 6.610 1.00 0.13 H new ATOM 0 HA TRP A 200 -3.404 -6.178 6.651 1.00 0.13 H new ATOM 0 HB2 TRP A 200 -4.068 -3.699 6.830 1.00 0.14 H new ATOM 0 HB3 TRP A 200 -3.959 -3.633 5.082 1.00 0.14 H new ATOM 0 HD1 TRP A 200 -6.366 -4.395 7.798 1.00 0.15 H new ATOM 0 HE1 TRP A 200 -8.558 -5.398 6.867 1.00 0.16 H new ATOM 0 HE3 TRP A 200 -4.761 -5.433 3.070 1.00 0.13 H new ATOM 0 HZ2 TRP A 200 -9.434 -6.485 4.426 1.00 0.15 H new ATOM 0 HZ3 TRP A 200 -6.323 -6.469 1.486 1.00 0.14 H new ATOM 0 HH2 TRP A 200 -8.634 -6.984 2.151 1.00 0.15 H new ATOM 606 N VAL A 201 -2.396 -5.341 3.626 1.00 0.14 N ATOM 607 CA VAL A 201 -2.306 -5.844 2.262 1.00 0.16 C ATOM 608 C VAL A 201 -1.250 -6.943 2.126 1.00 0.16 C ATOM 609 O VAL A 201 -1.426 -7.855 1.326 1.00 0.18 O ATOM 610 CB VAL A 201 -2.082 -4.709 1.245 1.00 0.20 C ATOM 611 CG1 VAL A 201 -1.963 -5.247 -0.171 1.00 0.26 C ATOM 612 CG2 VAL A 201 -3.222 -3.709 1.336 1.00 0.22 C ATOM 0 H VAL A 201 -1.979 -4.422 3.772 1.00 0.14 H new ATOM 0 HA VAL A 201 -3.269 -6.297 2.029 1.00 0.16 H new ATOM 0 HB VAL A 201 -1.143 -4.212 1.488 1.00 0.20 H new ATOM 0 HG11 VAL A 201 -1.806 -4.419 -0.863 1.00 0.26 H new ATOM 0 HG12 VAL A 201 -1.119 -5.934 -0.229 1.00 0.26 H new ATOM 0 HG13 VAL A 201 -2.879 -5.774 -0.438 1.00 0.26 H new ATOM 0 HG21 VAL A 201 -3.061 -2.907 0.615 1.00 0.22 H new ATOM 0 HG22 VAL A 201 -4.164 -4.211 1.116 1.00 0.22 H new ATOM 0 HG23 VAL A 201 -3.260 -3.291 2.342 1.00 0.22 H new ATOM 622 N MET A 202 -0.192 -6.925 2.922 1.00 0.17 N ATOM 623 CA MET A 202 0.727 -8.064 2.891 1.00 0.20 C ATOM 624 C MET A 202 0.027 -9.312 3.463 1.00 0.19 C ATOM 625 O MET A 202 0.401 -10.445 3.170 1.00 0.22 O ATOM 626 CB MET A 202 2.037 -7.780 3.640 1.00 0.23 C ATOM 627 CG MET A 202 1.978 -8.021 5.138 1.00 0.23 C ATOM 628 SD MET A 202 3.621 -8.192 5.870 1.00 0.40 S ATOM 629 CE MET A 202 4.375 -6.639 5.400 1.00 0.56 C ATOM 0 H MET A 202 0.050 -6.175 3.570 1.00 0.17 H new ATOM 0 HA MET A 202 0.998 -8.245 1.851 1.00 0.20 H new ATOM 0 HB2 MET A 202 2.824 -8.404 3.216 1.00 0.23 H new ATOM 0 HB3 MET A 202 2.323 -6.743 3.464 1.00 0.23 H new ATOM 0 HG2 MET A 202 1.454 -7.194 5.616 1.00 0.23 H new ATOM 0 HG3 MET A 202 1.399 -8.923 5.336 1.00 0.23 H new ATOM 0 HE1 MET A 202 5.434 -6.656 5.657 1.00 0.56 H new ATOM 0 HE2 MET A 202 4.264 -6.491 4.326 1.00 0.56 H new ATOM 0 HE3 MET A 202 3.886 -5.822 5.931 1.00 0.56 H new ATOM 639 N LYS A 203 -1.008 -9.070 4.258 1.00 0.16 N ATOM 640 CA LYS A 203 -1.845 -10.124 4.832 1.00 0.18 C ATOM 641 C LYS A 203 -2.689 -10.832 3.767 1.00 0.18 C ATOM 642 O LYS A 203 -2.753 -12.062 3.768 1.00 0.20 O ATOM 643 CB LYS A 203 -2.726 -9.513 5.946 1.00 0.19 C ATOM 644 CG LYS A 203 -4.202 -9.920 5.945 1.00 0.36 C ATOM 645 CD LYS A 203 -4.407 -11.380 6.316 1.00 0.82 C ATOM 646 CE LYS A 203 -5.883 -11.737 6.391 1.00 1.61 C ATOM 647 NZ LYS A 203 -6.622 -11.356 5.154 1.00 2.35 N ATOM 0 H LYS A 203 -1.295 -8.129 4.527 1.00 0.16 H new ATOM 0 HA LYS A 203 -1.201 -10.891 5.263 1.00 0.18 H new ATOM 0 HB2 LYS A 203 -2.297 -9.786 6.910 1.00 0.19 H new ATOM 0 HB3 LYS A 203 -2.671 -8.427 5.869 1.00 0.19 H new ATOM 0 HG2 LYS A 203 -4.749 -9.291 6.647 1.00 0.36 H new ATOM 0 HG3 LYS A 203 -4.625 -9.737 4.957 1.00 0.36 H new ATOM 0 HD2 LYS A 203 -3.915 -12.016 5.579 1.00 0.82 H new ATOM 0 HD3 LYS A 203 -3.934 -11.582 7.277 1.00 0.82 H new ATOM 0 HE2 LYS A 203 -5.987 -12.809 6.558 1.00 1.61 H new ATOM 0 HE3 LYS A 203 -6.332 -11.236 7.249 1.00 1.61 H new ATOM 0 HZ1 LYS A 203 -7.571 -11.781 5.172 1.00 2.35 H new ATOM 0 HZ2 LYS A 203 -6.707 -10.321 5.105 1.00 2.35 H new ATOM 0 HZ3 LYS A 203 -6.104 -11.701 4.320 1.00 2.35 H new ATOM 661 N GLU A 204 -3.319 -10.094 2.857 1.00 0.18 N ATOM 662 CA GLU A 204 -4.260 -10.705 1.909 1.00 0.18 C ATOM 663 C GLU A 204 -3.572 -11.716 0.977 1.00 0.23 C ATOM 664 O GLU A 204 -4.227 -12.588 0.404 1.00 0.47 O ATOM 665 CB GLU A 204 -4.978 -9.630 1.091 1.00 0.23 C ATOM 666 CG GLU A 204 -6.274 -10.124 0.460 1.00 0.42 C ATOM 667 CD GLU A 204 -7.309 -10.535 1.495 1.00 0.93 C ATOM 668 OE1 GLU A 204 -7.020 -11.424 2.329 1.00 1.45 O ATOM 669 OE2 GLU A 204 -8.423 -9.977 1.477 1.00 1.72 O ATOM 0 H GLU A 204 -3.201 -9.086 2.752 1.00 0.18 H new ATOM 0 HA GLU A 204 -4.995 -11.253 2.498 1.00 0.18 H new ATOM 0 HB2 GLU A 204 -5.196 -8.778 1.735 1.00 0.23 H new ATOM 0 HB3 GLU A 204 -4.311 -9.274 0.306 1.00 0.23 H new ATOM 0 HG2 GLU A 204 -6.689 -9.338 -0.171 1.00 0.42 H new ATOM 0 HG3 GLU A 204 -6.057 -10.973 -0.189 1.00 0.42 H new ATOM 676 N PHE A 205 -2.261 -11.602 0.832 1.00 0.18 N ATOM 677 CA PHE A 205 -1.494 -12.523 -0.018 1.00 0.19 C ATOM 678 C PHE A 205 -0.460 -13.286 0.797 1.00 0.22 C ATOM 679 O PHE A 205 0.472 -13.873 0.246 1.00 0.25 O ATOM 680 CB PHE A 205 -0.792 -11.774 -1.149 1.00 0.19 C ATOM 681 CG PHE A 205 -1.517 -10.546 -1.592 1.00 0.18 C ATOM 682 CD1 PHE A 205 -2.673 -10.626 -2.351 1.00 0.24 C ATOM 683 CD2 PHE A 205 -1.040 -9.306 -1.234 1.00 0.21 C ATOM 684 CE1 PHE A 205 -3.337 -9.481 -2.742 1.00 0.29 C ATOM 685 CE2 PHE A 205 -1.690 -8.160 -1.618 1.00 0.25 C ATOM 686 CZ PHE A 205 -2.844 -8.241 -2.374 1.00 0.29 C ATOM 0 H PHE A 205 -1.699 -10.884 1.288 1.00 0.18 H new ATOM 0 HA PHE A 205 -2.203 -13.231 -0.447 1.00 0.19 H new ATOM 0 HB2 PHE A 205 0.210 -11.496 -0.823 1.00 0.19 H new ATOM 0 HB3 PHE A 205 -0.676 -12.444 -2.001 1.00 0.19 H new ATOM 0 HD1 PHE A 205 -3.058 -11.593 -2.639 1.00 0.24 H new ATOM 0 HD2 PHE A 205 -0.140 -9.233 -0.642 1.00 0.21 H new ATOM 0 HE1 PHE A 205 -4.238 -9.552 -3.333 1.00 0.29 H new ATOM 0 HE2 PHE A 205 -1.300 -7.195 -1.329 1.00 0.25 H new ATOM 0 HZ PHE A 205 -3.359 -7.341 -2.676 1.00 0.29 H new ATOM 696 N SER A 206 -0.645 -13.264 2.115 1.00 0.21 N ATOM 697 CA SER A 206 0.166 -14.052 3.055 1.00 0.23 C ATOM 698 C SER A 206 1.657 -13.830 2.828 1.00 0.24 C ATOM 699 O SER A 206 2.455 -14.764 2.795 1.00 0.28 O ATOM 700 CB SER A 206 -0.196 -15.547 2.998 1.00 0.26 C ATOM 701 OG SER A 206 -0.171 -16.051 1.672 1.00 1.14 O ATOM 0 H SER A 206 -1.363 -12.699 2.568 1.00 0.21 H new ATOM 0 HA SER A 206 -0.067 -13.699 4.060 1.00 0.23 H new ATOM 0 HB2 SER A 206 0.503 -16.113 3.614 1.00 0.26 H new ATOM 0 HB3 SER A 206 -1.188 -15.696 3.424 1.00 0.26 H new ATOM 0 HG SER A 206 0.415 -15.491 1.120 1.00 1.14 H new ATOM 707 N MET A 207 2.008 -12.562 2.675 1.00 0.25 N ATOM 708 CA MET A 207 3.388 -12.138 2.513 1.00 0.27 C ATOM 709 C MET A 207 4.131 -12.274 3.838 1.00 0.52 C ATOM 710 O MET A 207 4.991 -13.141 3.980 1.00 1.36 O ATOM 711 CB MET A 207 3.431 -10.685 2.040 1.00 0.32 C ATOM 712 CG MET A 207 2.552 -10.404 0.827 1.00 0.52 C ATOM 713 SD MET A 207 3.273 -10.984 -0.716 1.00 0.95 S ATOM 714 CE MET A 207 4.628 -9.830 -0.884 1.00 0.94 C ATOM 0 H MET A 207 1.337 -11.794 2.660 1.00 0.25 H new ATOM 0 HA MET A 207 3.871 -12.770 1.768 1.00 0.27 H new ATOM 0 HB2 MET A 207 3.120 -10.037 2.860 1.00 0.32 H new ATOM 0 HB3 MET A 207 4.461 -10.422 1.799 1.00 0.32 H new ATOM 0 HG2 MET A 207 1.582 -10.881 0.970 1.00 0.52 H new ATOM 0 HG3 MET A 207 2.372 -9.331 0.757 1.00 0.52 H new ATOM 0 HE1 MET A 207 4.911 -9.751 -1.934 1.00 0.94 H new ATOM 0 HE2 MET A 207 4.320 -8.851 -0.516 1.00 0.94 H new ATOM 0 HE3 MET A 207 5.481 -10.183 -0.304 1.00 0.94 H new ATOM 724 N THR A 208 3.761 -11.437 4.812 1.00 0.86 N ATOM 725 CA THR A 208 4.405 -11.435 6.128 1.00 1.02 C ATOM 726 C THR A 208 5.931 -11.436 5.987 1.00 1.04 C ATOM 727 O THR A 208 6.643 -12.104 6.739 1.00 1.71 O ATOM 728 CB THR A 208 3.966 -12.657 6.961 1.00 1.53 C ATOM 729 OG1 THR A 208 2.630 -13.038 6.601 1.00 2.11 O ATOM 730 CG2 THR A 208 4.015 -12.345 8.449 1.00 1.72 C ATOM 0 H THR A 208 3.015 -10.749 4.712 1.00 0.86 H new ATOM 0 HA THR A 208 4.094 -10.526 6.643 1.00 1.02 H new ATOM 0 HB THR A 208 4.654 -13.476 6.751 1.00 1.53 H new ATOM 0 HG1 THR A 208 2.357 -13.815 7.132 1.00 2.11 H new ATOM 0 HG21 THR A 208 3.701 -13.222 9.015 1.00 1.72 H new ATOM 0 HG22 THR A 208 5.033 -12.076 8.731 1.00 1.72 H new ATOM 0 HG23 THR A 208 3.346 -11.513 8.669 1.00 1.72 H new ATOM 738 N ASP A 209 6.423 -10.683 5.012 1.00 0.83 N ATOM 739 CA ASP A 209 7.839 -10.722 4.663 1.00 0.85 C ATOM 740 C ASP A 209 8.387 -9.333 4.400 1.00 0.70 C ATOM 741 O ASP A 209 9.475 -8.989 4.858 1.00 1.04 O ATOM 742 CB ASP A 209 8.055 -11.605 3.425 1.00 1.19 C ATOM 743 CG ASP A 209 9.490 -11.582 2.928 1.00 1.50 C ATOM 744 OD1 ASP A 209 9.850 -10.649 2.177 1.00 1.94 O ATOM 745 OD2 ASP A 209 10.264 -12.491 3.293 1.00 1.88 O ATOM 0 H ASP A 209 5.866 -10.040 4.450 1.00 0.83 H new ATOM 0 HA ASP A 209 8.376 -11.144 5.512 1.00 0.85 H new ATOM 0 HB2 ASP A 209 7.774 -12.631 3.663 1.00 1.19 H new ATOM 0 HB3 ASP A 209 7.393 -11.271 2.626 1.00 1.19 H new ATOM 750 N ILE A 210 7.619 -8.539 3.674 1.00 0.53 N ATOM 751 CA ILE A 210 8.065 -7.227 3.234 1.00 0.40 C ATOM 752 C ILE A 210 8.370 -6.308 4.423 1.00 0.36 C ATOM 753 O ILE A 210 7.675 -6.329 5.443 1.00 0.47 O ATOM 754 CB ILE A 210 7.050 -6.559 2.255 1.00 0.34 C ATOM 755 CG1 ILE A 210 6.830 -5.097 2.628 1.00 0.44 C ATOM 756 CG2 ILE A 210 5.717 -7.308 2.212 1.00 0.42 C ATOM 757 CD1 ILE A 210 6.630 -4.192 1.439 1.00 0.65 C ATOM 0 H ILE A 210 6.675 -8.783 3.374 1.00 0.53 H new ATOM 0 HA ILE A 210 8.993 -7.380 2.683 1.00 0.40 H new ATOM 0 HB ILE A 210 7.483 -6.608 1.256 1.00 0.34 H new ATOM 0 HG12 ILE A 210 5.959 -5.024 3.279 1.00 0.44 H new ATOM 0 HG13 ILE A 210 7.687 -4.745 3.202 1.00 0.44 H new ATOM 0 HG21 ILE A 210 5.041 -6.808 1.518 1.00 0.42 H new ATOM 0 HG22 ILE A 210 5.886 -8.332 1.880 1.00 0.42 H new ATOM 0 HG23 ILE A 210 5.273 -7.318 3.207 1.00 0.42 H new ATOM 0 HD11 ILE A 210 6.480 -3.168 1.782 1.00 0.65 H new ATOM 0 HD12 ILE A 210 7.510 -4.234 0.798 1.00 0.65 H new ATOM 0 HD13 ILE A 210 5.755 -4.518 0.876 1.00 0.65 H new ATOM 769 N ASP A 211 9.438 -5.527 4.271 1.00 0.28 N ATOM 770 CA ASP A 211 9.935 -4.642 5.321 1.00 0.28 C ATOM 771 C ASP A 211 8.947 -3.545 5.671 1.00 0.27 C ATOM 772 O ASP A 211 8.554 -2.752 4.820 1.00 0.33 O ATOM 773 CB ASP A 211 11.259 -4.005 4.894 1.00 0.34 C ATOM 774 CG ASP A 211 12.417 -4.972 4.996 1.00 0.65 C ATOM 775 OD1 ASP A 211 12.947 -5.159 6.108 1.00 0.88 O ATOM 776 OD2 ASP A 211 12.818 -5.534 3.961 1.00 0.91 O ATOM 0 H ASP A 211 9.985 -5.491 3.411 1.00 0.28 H new ATOM 0 HA ASP A 211 10.081 -5.258 6.208 1.00 0.28 H new ATOM 0 HB2 ASP A 211 11.175 -3.649 3.867 1.00 0.34 H new ATOM 0 HB3 ASP A 211 11.459 -3.134 5.518 1.00 0.34 H new ATOM 781 N LEU A 212 8.559 -3.511 6.938 1.00 0.30 N ATOM 782 CA LEU A 212 7.705 -2.454 7.455 1.00 0.36 C ATOM 783 C LEU A 212 8.559 -1.279 7.913 1.00 0.42 C ATOM 784 O LEU A 212 8.256 -0.124 7.625 1.00 0.56 O ATOM 785 CB LEU A 212 6.871 -2.975 8.627 1.00 0.43 C ATOM 786 CG LEU A 212 5.903 -4.106 8.286 1.00 0.48 C ATOM 787 CD1 LEU A 212 5.354 -4.742 9.554 1.00 0.56 C ATOM 788 CD2 LEU A 212 4.769 -3.583 7.427 1.00 0.52 C ATOM 0 H LEU A 212 8.826 -4.210 7.631 1.00 0.30 H new ATOM 0 HA LEU A 212 7.033 -2.124 6.663 1.00 0.36 H new ATOM 0 HB2 LEU A 212 7.548 -3.321 9.408 1.00 0.43 H new ATOM 0 HB3 LEU A 212 6.301 -2.144 9.044 1.00 0.43 H new ATOM 0 HG LEU A 212 6.446 -4.868 7.726 1.00 0.48 H new ATOM 0 HD11 LEU A 212 4.666 -5.545 9.290 1.00 0.56 H new ATOM 0 HD12 LEU A 212 6.177 -5.147 10.143 1.00 0.56 H new ATOM 0 HD13 LEU A 212 4.825 -3.990 10.139 1.00 0.56 H new ATOM 0 HD21 LEU A 212 4.086 -4.399 7.191 1.00 0.52 H new ATOM 0 HD22 LEU A 212 4.231 -2.805 7.969 1.00 0.52 H new ATOM 0 HD23 LEU A 212 5.173 -3.169 6.503 1.00 0.52 H new ATOM 800 N THR A 213 9.644 -1.592 8.606 1.00 0.44 N ATOM 801 CA THR A 213 10.537 -0.579 9.149 1.00 0.51 C ATOM 802 C THR A 213 11.188 0.253 8.047 1.00 0.46 C ATOM 803 O THR A 213 11.465 1.437 8.229 1.00 0.52 O ATOM 804 CB THR A 213 11.636 -1.233 9.999 1.00 0.71 C ATOM 805 OG1 THR A 213 12.160 -2.370 9.300 1.00 1.56 O ATOM 806 CG2 THR A 213 11.097 -1.661 11.354 1.00 1.34 C ATOM 0 H THR A 213 9.929 -2.550 8.807 1.00 0.44 H new ATOM 0 HA THR A 213 9.931 0.082 9.769 1.00 0.51 H new ATOM 0 HB THR A 213 12.428 -0.504 10.167 1.00 0.71 H new ATOM 0 HG1 THR A 213 12.863 -2.789 9.838 1.00 1.56 H new ATOM 0 HG21 THR A 213 11.896 -2.121 11.935 1.00 1.34 H new ATOM 0 HG22 THR A 213 10.717 -0.789 11.886 1.00 1.34 H new ATOM 0 HG23 THR A 213 10.290 -2.380 11.214 1.00 1.34 H new ATOM 814 N THR A 214 11.407 -0.364 6.893 1.00 0.45 N ATOM 815 CA THR A 214 12.094 0.304 5.800 1.00 0.47 C ATOM 816 C THR A 214 11.096 1.058 4.913 1.00 0.42 C ATOM 817 O THR A 214 11.435 1.555 3.838 1.00 0.60 O ATOM 818 CB THR A 214 12.901 -0.710 4.974 1.00 0.57 C ATOM 819 OG1 THR A 214 13.351 -1.762 5.837 1.00 1.18 O ATOM 820 CG2 THR A 214 14.110 -0.050 4.333 1.00 0.40 C ATOM 0 H THR A 214 11.120 -1.322 6.692 1.00 0.45 H new ATOM 0 HA THR A 214 12.787 1.031 6.222 1.00 0.47 H new ATOM 0 HB THR A 214 12.259 -1.105 4.186 1.00 0.57 H new ATOM 0 HG1 THR A 214 13.865 -2.414 5.317 1.00 1.18 H new ATOM 0 HG21 THR A 214 14.664 -0.789 3.754 1.00 0.40 H new ATOM 0 HG22 THR A 214 13.780 0.753 3.674 1.00 0.40 H new ATOM 0 HG23 THR A 214 14.755 0.360 5.110 1.00 0.40 H new ATOM 828 N LEU A 215 9.854 1.124 5.378 1.00 0.30 N ATOM 829 CA LEU A 215 8.831 1.950 4.752 1.00 0.27 C ATOM 830 C LEU A 215 8.172 2.816 5.813 1.00 0.25 C ATOM 831 O LEU A 215 7.038 3.265 5.654 1.00 0.29 O ATOM 832 CB LEU A 215 7.781 1.091 4.034 1.00 0.25 C ATOM 833 CG LEU A 215 8.289 0.295 2.832 1.00 0.23 C ATOM 834 CD1 LEU A 215 7.195 -0.619 2.305 1.00 0.25 C ATOM 835 CD2 LEU A 215 8.772 1.228 1.734 1.00 0.24 C ATOM 0 H LEU A 215 9.530 0.608 6.196 1.00 0.30 H new ATOM 0 HA LEU A 215 9.303 2.584 4.001 1.00 0.27 H new ATOM 0 HB2 LEU A 215 7.354 0.394 4.755 1.00 0.25 H new ATOM 0 HB3 LEU A 215 6.972 1.741 3.701 1.00 0.25 H new ATOM 0 HG LEU A 215 9.131 -0.317 3.156 1.00 0.23 H new ATOM 0 HD11 LEU A 215 7.570 -1.180 1.449 1.00 0.25 H new ATOM 0 HD12 LEU A 215 6.892 -1.313 3.089 1.00 0.25 H new ATOM 0 HD13 LEU A 215 6.337 -0.020 1.999 1.00 0.25 H new ATOM 0 HD21 LEU A 215 9.129 0.640 0.888 1.00 0.24 H new ATOM 0 HD22 LEU A 215 7.950 1.866 1.411 1.00 0.24 H new ATOM 0 HD23 LEU A 215 9.584 1.848 2.114 1.00 0.24 H new ATOM 847 N ASN A 216 8.902 3.053 6.900 1.00 0.24 N ATOM 848 CA ASN A 216 8.413 3.891 7.990 1.00 0.26 C ATOM 849 C ASN A 216 8.606 5.359 7.630 1.00 0.22 C ATOM 850 O ASN A 216 9.402 6.079 8.234 1.00 0.29 O ATOM 851 CB ASN A 216 9.127 3.538 9.306 1.00 0.34 C ATOM 852 CG ASN A 216 8.536 4.249 10.515 1.00 0.69 C ATOM 853 OD1 ASN A 216 9.038 5.284 10.959 1.00 1.34 O ATOM 854 ND2 ASN A 216 7.459 3.697 11.059 1.00 0.64 N ATOM 0 H ASN A 216 9.837 2.675 7.049 1.00 0.24 H new ATOM 0 HA ASN A 216 7.349 3.707 8.137 1.00 0.26 H new ATOM 0 HB2 ASN A 216 9.074 2.461 9.464 1.00 0.34 H new ATOM 0 HB3 ASN A 216 10.183 3.796 9.220 1.00 0.34 H new ATOM 0 HD21 ASN A 216 7.019 4.130 11.871 1.00 0.64 H new ATOM 0 HD22 ASN A 216 7.071 2.840 10.665 1.00 0.64 H new ATOM 861 N ILE A 217 7.880 5.775 6.610 1.00 0.19 N ATOM 862 CA ILE A 217 7.927 7.135 6.105 1.00 0.19 C ATOM 863 C ILE A 217 6.518 7.605 5.794 1.00 0.18 C ATOM 864 O ILE A 217 5.560 6.860 5.993 1.00 0.19 O ATOM 865 CB ILE A 217 8.793 7.243 4.831 1.00 0.20 C ATOM 866 CG1 ILE A 217 8.442 6.116 3.849 1.00 0.27 C ATOM 867 CG2 ILE A 217 10.274 7.207 5.183 1.00 0.32 C ATOM 868 CD1 ILE A 217 9.055 6.294 2.479 1.00 0.89 C ATOM 0 H ILE A 217 7.233 5.171 6.102 1.00 0.19 H new ATOM 0 HA ILE A 217 8.378 7.763 6.873 1.00 0.19 H new ATOM 0 HB ILE A 217 8.582 8.198 4.350 1.00 0.20 H new ATOM 0 HG12 ILE A 217 8.775 5.165 4.266 1.00 0.27 H new ATOM 0 HG13 ILE A 217 7.358 6.058 3.748 1.00 0.27 H new ATOM 0 HG21 ILE A 217 10.867 7.284 4.271 1.00 0.32 H new ATOM 0 HG22 ILE A 217 10.512 8.042 5.842 1.00 0.32 H new ATOM 0 HG23 ILE A 217 10.505 6.269 5.688 1.00 0.32 H new ATOM 0 HD11 ILE A 217 8.764 5.461 1.839 1.00 0.89 H new ATOM 0 HD12 ILE A 217 8.703 7.228 2.041 1.00 0.89 H new ATOM 0 HD13 ILE A 217 10.141 6.322 2.567 1.00 0.89 H new ATOM 880 N SER A 218 6.379 8.827 5.310 1.00 0.19 N ATOM 881 CA SER A 218 5.064 9.336 4.976 1.00 0.20 C ATOM 882 C SER A 218 4.716 9.050 3.515 1.00 0.20 C ATOM 883 O SER A 218 5.576 8.633 2.732 1.00 0.21 O ATOM 884 CB SER A 218 4.966 10.827 5.287 1.00 0.23 C ATOM 885 OG SER A 218 5.252 11.084 6.652 1.00 1.10 O ATOM 0 H SER A 218 7.148 9.475 5.142 1.00 0.19 H new ATOM 0 HA SER A 218 4.333 8.815 5.595 1.00 0.20 H new ATOM 0 HB2 SER A 218 5.662 11.380 4.656 1.00 0.23 H new ATOM 0 HB3 SER A 218 3.965 11.186 5.048 1.00 0.23 H new ATOM 0 HG SER A 218 5.184 12.046 6.825 1.00 1.10 H new ATOM 891 N GLY A 219 3.465 9.287 3.150 1.00 0.21 N ATOM 892 CA GLY A 219 2.982 8.914 1.835 1.00 0.23 C ATOM 893 C GLY A 219 3.668 9.651 0.700 1.00 0.22 C ATOM 894 O GLY A 219 3.971 9.054 -0.336 1.00 0.22 O ATOM 0 H GLY A 219 2.769 9.735 3.747 1.00 0.21 H new ATOM 0 HA2 GLY A 219 3.122 7.842 1.697 1.00 0.23 H new ATOM 0 HA3 GLY A 219 1.910 9.104 1.784 1.00 0.23 H new ATOM 898 N ARG A 220 3.924 10.941 0.890 1.00 0.24 N ATOM 899 CA ARG A 220 4.539 11.755 -0.152 1.00 0.25 C ATOM 900 C ARG A 220 5.907 11.192 -0.504 1.00 0.25 C ATOM 901 O ARG A 220 6.319 11.224 -1.662 1.00 0.32 O ATOM 902 CB ARG A 220 4.636 13.221 0.297 1.00 0.26 C ATOM 903 CG ARG A 220 5.081 14.194 -0.792 1.00 1.23 C ATOM 904 CD ARG A 220 6.595 14.246 -0.925 1.00 2.30 C ATOM 905 NE ARG A 220 7.021 15.084 -2.045 1.00 3.08 N ATOM 906 CZ ARG A 220 8.247 15.061 -2.567 1.00 4.20 C ATOM 907 NH1 ARG A 220 9.178 14.266 -2.060 1.00 4.78 N ATOM 908 NH2 ARG A 220 8.553 15.850 -3.589 1.00 5.01 N ATOM 0 H ARG A 220 3.716 11.444 1.753 1.00 0.24 H new ATOM 0 HA ARG A 220 3.915 11.725 -1.046 1.00 0.25 H new ATOM 0 HB2 ARG A 220 3.662 13.537 0.672 1.00 0.26 H new ATOM 0 HB3 ARG A 220 5.335 13.286 1.131 1.00 0.26 H new ATOM 0 HG2 ARG A 220 4.643 13.897 -1.745 1.00 1.23 H new ATOM 0 HG3 ARG A 220 4.703 15.191 -0.565 1.00 1.23 H new ATOM 0 HD2 ARG A 220 7.027 14.630 -0.001 1.00 2.30 H new ATOM 0 HD3 ARG A 220 6.981 13.236 -1.061 1.00 2.30 H new ATOM 0 HE ARG A 220 6.339 15.725 -2.451 1.00 3.08 H new ATOM 0 HH11 ARG A 220 8.959 13.666 -1.265 1.00 4.78 H new ATOM 0 HH12 ARG A 220 10.114 14.254 -2.465 1.00 4.78 H new ATOM 0 HH21 ARG A 220 7.849 16.477 -3.978 1.00 5.01 H new ATOM 0 HH22 ARG A 220 9.492 15.829 -3.986 1.00 5.01 H new ATOM 922 N GLU A 221 6.588 10.640 0.485 1.00 0.24 N ATOM 923 CA GLU A 221 7.872 10.014 0.251 1.00 0.27 C ATOM 924 C GLU A 221 7.682 8.624 -0.334 1.00 0.23 C ATOM 925 O GLU A 221 8.407 8.232 -1.241 1.00 0.23 O ATOM 926 CB GLU A 221 8.688 9.962 1.541 1.00 0.34 C ATOM 927 CG GLU A 221 9.236 11.318 1.950 1.00 0.84 C ATOM 928 CD GLU A 221 9.979 11.994 0.815 1.00 1.60 C ATOM 929 OE1 GLU A 221 11.135 11.612 0.549 1.00 2.45 O ATOM 930 OE2 GLU A 221 9.415 12.923 0.196 1.00 2.07 O ATOM 0 H GLU A 221 6.272 10.614 1.454 1.00 0.24 H new ATOM 0 HA GLU A 221 8.427 10.613 -0.471 1.00 0.27 H new ATOM 0 HB2 GLU A 221 8.063 9.571 2.344 1.00 0.34 H new ATOM 0 HB3 GLU A 221 9.516 9.265 1.413 1.00 0.34 H new ATOM 0 HG2 GLU A 221 8.416 11.957 2.278 1.00 0.84 H new ATOM 0 HG3 GLU A 221 9.906 11.197 2.801 1.00 0.84 H new ATOM 937 N LEU A 222 6.683 7.904 0.175 1.00 0.21 N ATOM 938 CA LEU A 222 6.328 6.573 -0.326 1.00 0.20 C ATOM 939 C LEU A 222 6.105 6.626 -1.838 1.00 0.18 C ATOM 940 O LEU A 222 6.664 5.831 -2.588 1.00 0.20 O ATOM 941 CB LEU A 222 5.052 6.082 0.393 1.00 0.21 C ATOM 942 CG LEU A 222 4.721 4.583 0.289 1.00 0.21 C ATOM 943 CD1 LEU A 222 4.215 4.216 -1.096 1.00 0.19 C ATOM 944 CD2 LEU A 222 5.932 3.742 0.652 1.00 0.26 C ATOM 0 H LEU A 222 6.096 8.225 0.945 1.00 0.21 H new ATOM 0 HA LEU A 222 7.142 5.876 -0.124 1.00 0.20 H new ATOM 0 HB2 LEU A 222 5.140 6.336 1.449 1.00 0.21 H new ATOM 0 HB3 LEU A 222 4.205 6.644 -0.001 1.00 0.21 H new ATOM 0 HG LEU A 222 3.922 4.373 1.000 1.00 0.21 H new ATOM 0 HD11 LEU A 222 3.992 3.150 -1.131 1.00 0.19 H new ATOM 0 HD12 LEU A 222 3.311 4.784 -1.315 1.00 0.19 H new ATOM 0 HD13 LEU A 222 4.979 4.451 -1.837 1.00 0.19 H new ATOM 0 HD21 LEU A 222 5.678 2.685 0.572 1.00 0.26 H new ATOM 0 HD22 LEU A 222 6.751 3.971 -0.030 1.00 0.26 H new ATOM 0 HD23 LEU A 222 6.237 3.966 1.674 1.00 0.26 H new ATOM 956 N CYS A 223 5.291 7.573 -2.278 1.00 0.18 N ATOM 957 CA CYS A 223 4.970 7.704 -3.690 1.00 0.18 C ATOM 958 C CYS A 223 6.136 8.323 -4.471 1.00 0.18 C ATOM 959 O CYS A 223 6.201 8.217 -5.697 1.00 0.21 O ATOM 960 CB CYS A 223 3.703 8.550 -3.853 1.00 0.21 C ATOM 961 SG CYS A 223 3.023 8.569 -5.529 1.00 0.71 S ATOM 0 H CYS A 223 4.840 8.263 -1.677 1.00 0.18 H new ATOM 0 HA CYS A 223 4.793 6.709 -4.099 1.00 0.18 H new ATOM 0 HB2 CYS A 223 2.941 8.175 -3.170 1.00 0.21 H new ATOM 0 HB3 CYS A 223 3.924 9.574 -3.553 1.00 0.21 H new ATOM 0 HG CYS A 223 3.990 8.459 -6.391 1.00 0.71 H new ATOM 967 N SER A 224 7.050 8.976 -3.761 1.00 0.17 N ATOM 968 CA SER A 224 8.200 9.622 -4.380 1.00 0.21 C ATOM 969 C SER A 224 9.279 8.637 -4.837 1.00 0.17 C ATOM 970 O SER A 224 10.047 8.960 -5.745 1.00 0.19 O ATOM 971 CB SER A 224 8.805 10.642 -3.408 1.00 0.30 C ATOM 972 OG SER A 224 9.902 11.329 -3.986 1.00 1.10 O ATOM 0 H SER A 224 7.015 9.072 -2.746 1.00 0.17 H new ATOM 0 HA SER A 224 7.834 10.120 -5.278 1.00 0.21 H new ATOM 0 HB2 SER A 224 8.041 11.360 -3.112 1.00 0.30 H new ATOM 0 HB3 SER A 224 9.131 10.132 -2.502 1.00 0.30 H new ATOM 0 HG SER A 224 10.262 11.972 -3.340 1.00 1.10 H new ATOM 978 N LEU A 225 9.355 7.443 -4.262 1.00 0.17 N ATOM 979 CA LEU A 225 10.395 6.518 -4.687 1.00 0.18 C ATOM 980 C LEU A 225 9.874 5.614 -5.791 1.00 0.19 C ATOM 981 O LEU A 225 8.734 5.146 -5.747 1.00 0.19 O ATOM 982 CB LEU A 225 10.952 5.679 -3.527 1.00 0.19 C ATOM 983 CG LEU A 225 9.932 4.875 -2.719 1.00 0.16 C ATOM 984 CD1 LEU A 225 10.468 3.490 -2.426 1.00 0.39 C ATOM 985 CD2 LEU A 225 9.622 5.575 -1.414 1.00 0.27 C ATOM 0 H LEU A 225 8.734 7.102 -3.528 1.00 0.17 H new ATOM 0 HA LEU A 225 11.221 7.119 -5.068 1.00 0.18 H new ATOM 0 HB2 LEU A 225 11.691 4.987 -3.930 1.00 0.19 H new ATOM 0 HB3 LEU A 225 11.479 6.346 -2.845 1.00 0.19 H new ATOM 0 HG LEU A 225 9.019 4.793 -3.309 1.00 0.16 H new ATOM 0 HD11 LEU A 225 9.732 2.929 -1.850 1.00 0.39 H new ATOM 0 HD12 LEU A 225 10.667 2.971 -3.364 1.00 0.39 H new ATOM 0 HD13 LEU A 225 11.391 3.571 -1.853 1.00 0.39 H new ATOM 0 HD21 LEU A 225 8.895 4.990 -0.851 1.00 0.27 H new ATOM 0 HD22 LEU A 225 10.536 5.677 -0.830 1.00 0.27 H new ATOM 0 HD23 LEU A 225 9.211 6.563 -1.620 1.00 0.27 H new ATOM 997 N ASN A 226 10.707 5.390 -6.794 1.00 0.22 N ATOM 998 CA ASN A 226 10.364 4.500 -7.884 1.00 0.25 C ATOM 999 C ASN A 226 10.578 3.060 -7.451 1.00 0.21 C ATOM 1000 O ASN A 226 11.270 2.813 -6.459 1.00 0.23 O ATOM 1001 CB ASN A 226 11.200 4.799 -9.138 1.00 0.40 C ATOM 1002 CG ASN A 226 12.675 4.474 -8.975 1.00 1.04 C ATOM 1003 OD1 ASN A 226 13.244 4.594 -7.891 1.00 2.01 O ATOM 1004 ND2 ASN A 226 13.297 4.046 -10.061 1.00 1.31 N ATOM 0 H ASN A 226 11.630 5.816 -6.873 1.00 0.22 H new ATOM 0 HA ASN A 226 9.315 4.658 -8.136 1.00 0.25 H new ATOM 0 HB2 ASN A 226 10.801 4.228 -9.976 1.00 0.40 H new ATOM 0 HB3 ASN A 226 11.094 5.854 -9.392 1.00 0.40 H new ATOM 0 HD21 ASN A 226 14.286 3.801 -10.019 1.00 1.31 H new ATOM 0 HD22 ASN A 226 12.787 3.961 -10.940 1.00 1.31 H new ATOM 1011 N GLN A 227 9.942 2.124 -8.158 1.00 0.20 N ATOM 1012 CA GLN A 227 9.882 0.715 -7.772 1.00 0.19 C ATOM 1013 C GLN A 227 11.216 0.176 -7.256 1.00 0.18 C ATOM 1014 O GLN A 227 11.258 -0.617 -6.320 1.00 0.19 O ATOM 1015 CB GLN A 227 9.424 -0.134 -8.954 1.00 0.22 C ATOM 1016 CG GLN A 227 8.908 -1.496 -8.526 1.00 0.29 C ATOM 1017 CD GLN A 227 7.698 -1.390 -7.621 1.00 0.52 C ATOM 1018 OE1 GLN A 227 6.559 -1.377 -8.079 1.00 1.30 O ATOM 1019 NE2 GLN A 227 7.943 -1.307 -6.325 1.00 1.13 N ATOM 0 H GLN A 227 9.448 2.327 -9.027 1.00 0.20 H new ATOM 0 HA GLN A 227 9.165 0.651 -6.953 1.00 0.19 H new ATOM 0 HB2 GLN A 227 8.639 0.395 -9.495 1.00 0.22 H new ATOM 0 HB3 GLN A 227 10.255 -0.265 -9.647 1.00 0.22 H new ATOM 0 HG2 GLN A 227 8.649 -2.079 -9.410 1.00 0.29 H new ATOM 0 HG3 GLN A 227 9.700 -2.037 -8.009 1.00 0.29 H new ATOM 0 HE21 GLN A 227 8.905 -1.321 -5.986 1.00 1.13 H new ATOM 0 HE22 GLN A 227 7.170 -1.229 -5.664 1.00 1.13 H new ATOM 1028 N GLU A 228 12.297 0.662 -7.860 1.00 0.20 N ATOM 1029 CA GLU A 228 13.645 0.177 -7.598 1.00 0.23 C ATOM 1030 C GLU A 228 14.140 0.668 -6.250 1.00 0.18 C ATOM 1031 O GLU A 228 14.709 -0.103 -5.482 1.00 0.19 O ATOM 1032 CB GLU A 228 14.583 0.667 -8.697 1.00 0.34 C ATOM 1033 CG GLU A 228 15.924 -0.045 -8.718 1.00 1.14 C ATOM 1034 CD GLU A 228 16.771 0.361 -9.904 1.00 1.66 C ATOM 1035 OE1 GLU A 228 16.227 0.481 -11.019 1.00 1.83 O ATOM 1036 OE2 GLU A 228 17.988 0.568 -9.721 1.00 2.29 O ATOM 0 H GLU A 228 12.259 1.411 -8.552 1.00 0.20 H new ATOM 0 HA GLU A 228 13.628 -0.913 -7.585 1.00 0.23 H new ATOM 0 HB2 GLU A 228 14.096 0.535 -9.663 1.00 0.34 H new ATOM 0 HB3 GLU A 228 14.751 1.736 -8.569 1.00 0.34 H new ATOM 0 HG2 GLU A 228 16.464 0.174 -7.797 1.00 1.14 H new ATOM 0 HG3 GLU A 228 15.761 -1.122 -8.743 1.00 1.14 H new ATOM 1043 N ASP A 229 13.934 1.945 -5.969 1.00 0.18 N ATOM 1044 CA ASP A 229 14.278 2.468 -4.646 1.00 0.20 C ATOM 1045 C ASP A 229 13.556 1.673 -3.564 1.00 0.19 C ATOM 1046 O ASP A 229 14.086 1.468 -2.474 1.00 0.22 O ATOM 1047 CB ASP A 229 13.951 3.954 -4.536 1.00 0.25 C ATOM 1048 CG ASP A 229 14.677 4.628 -3.390 1.00 0.37 C ATOM 1049 OD1 ASP A 229 15.859 4.996 -3.572 1.00 0.71 O ATOM 1050 OD2 ASP A 229 14.077 4.808 -2.311 1.00 0.54 O ATOM 0 H ASP A 229 13.541 2.628 -6.617 1.00 0.18 H new ATOM 0 HA ASP A 229 15.353 2.357 -4.504 1.00 0.20 H new ATOM 0 HB2 ASP A 229 14.215 4.450 -5.470 1.00 0.25 H new ATOM 0 HB3 ASP A 229 12.876 4.077 -4.402 1.00 0.25 H new ATOM 1055 N PHE A 230 12.361 1.191 -3.886 1.00 0.17 N ATOM 1056 CA PHE A 230 11.653 0.286 -2.991 1.00 0.17 C ATOM 1057 C PHE A 230 12.329 -1.071 -3.014 1.00 0.18 C ATOM 1058 O PHE A 230 12.592 -1.652 -1.970 1.00 0.21 O ATOM 1059 CB PHE A 230 10.184 0.126 -3.391 1.00 0.17 C ATOM 1060 CG PHE A 230 9.488 -1.037 -2.720 1.00 0.17 C ATOM 1061 CD1 PHE A 230 9.012 -0.944 -1.417 1.00 0.19 C ATOM 1062 CD2 PHE A 230 9.294 -2.226 -3.406 1.00 0.19 C ATOM 1063 CE1 PHE A 230 8.365 -2.012 -0.818 1.00 0.23 C ATOM 1064 CE2 PHE A 230 8.650 -3.291 -2.817 1.00 0.21 C ATOM 1065 CZ PHE A 230 8.183 -3.192 -1.523 1.00 0.22 C ATOM 0 H PHE A 230 11.867 1.409 -4.751 1.00 0.17 H new ATOM 0 HA PHE A 230 11.684 0.712 -1.988 1.00 0.17 H new ATOM 0 HB2 PHE A 230 9.650 1.045 -3.149 1.00 0.17 H new ATOM 0 HB3 PHE A 230 10.124 -0.002 -4.472 1.00 0.17 H new ATOM 0 HD1 PHE A 230 9.149 -0.026 -0.864 1.00 0.19 H new ATOM 0 HD2 PHE A 230 9.654 -2.319 -4.420 1.00 0.19 H new ATOM 0 HE1 PHE A 230 8.003 -1.926 0.196 1.00 0.23 H new ATOM 0 HE2 PHE A 230 8.510 -4.208 -3.371 1.00 0.21 H new ATOM 0 HZ PHE A 230 7.679 -4.028 -1.062 1.00 0.22 H new ATOM 1075 N PHE A 231 12.662 -1.546 -4.215 1.00 0.17 N ATOM 1076 CA PHE A 231 13.148 -2.908 -4.393 1.00 0.20 C ATOM 1077 C PHE A 231 14.558 -3.080 -3.839 1.00 0.25 C ATOM 1078 O PHE A 231 15.111 -4.173 -3.891 1.00 0.41 O ATOM 1079 CB PHE A 231 13.118 -3.314 -5.872 1.00 0.21 C ATOM 1080 CG PHE A 231 11.894 -4.083 -6.294 1.00 0.20 C ATOM 1081 CD1 PHE A 231 10.630 -3.616 -5.968 1.00 0.33 C ATOM 1082 CD2 PHE A 231 11.999 -5.265 -7.009 1.00 0.44 C ATOM 1083 CE1 PHE A 231 9.498 -4.314 -6.344 1.00 0.36 C ATOM 1084 CE2 PHE A 231 10.869 -5.966 -7.390 1.00 0.45 C ATOM 1085 CZ PHE A 231 9.647 -5.517 -7.091 1.00 0.27 C ATOM 0 H PHE A 231 12.603 -1.004 -5.077 1.00 0.17 H new ATOM 0 HA PHE A 231 12.479 -3.561 -3.833 1.00 0.20 H new ATOM 0 HB2 PHE A 231 13.192 -2.414 -6.482 1.00 0.21 H new ATOM 0 HB3 PHE A 231 14.000 -3.918 -6.086 1.00 0.21 H new ATOM 0 HD1 PHE A 231 10.529 -2.695 -5.413 1.00 0.33 H new ATOM 0 HD2 PHE A 231 12.975 -5.644 -7.272 1.00 0.44 H new ATOM 0 HE1 PHE A 231 8.516 -3.953 -6.076 1.00 0.36 H new ATOM 0 HE2 PHE A 231 10.976 -6.891 -7.938 1.00 0.45 H new ATOM 0 HZ PHE A 231 8.774 -6.065 -7.415 1.00 0.27 H new ATOM 1095 N GLN A 232 15.167 -2.012 -3.340 1.00 0.20 N ATOM 1096 CA GLN A 232 16.439 -2.171 -2.652 1.00 0.23 C ATOM 1097 C GLN A 232 16.168 -2.283 -1.158 1.00 0.25 C ATOM 1098 O GLN A 232 16.681 -3.173 -0.481 1.00 0.28 O ATOM 1099 CB GLN A 232 17.407 -1.004 -2.922 1.00 0.24 C ATOM 1100 CG GLN A 232 17.536 -0.592 -4.384 1.00 0.28 C ATOM 1101 CD GLN A 232 17.870 -1.747 -5.305 1.00 0.33 C ATOM 1102 OE1 GLN A 232 19.038 -2.087 -5.500 1.00 0.37 O ATOM 1103 NE2 GLN A 232 16.848 -2.335 -5.902 1.00 0.36 N ATOM 0 H GLN A 232 14.815 -1.056 -3.395 1.00 0.20 H new ATOM 0 HA GLN A 232 16.921 -3.073 -3.030 1.00 0.23 H new ATOM 0 HB2 GLN A 232 17.078 -0.139 -2.345 1.00 0.24 H new ATOM 0 HB3 GLN A 232 18.394 -1.278 -2.550 1.00 0.24 H new ATOM 0 HG2 GLN A 232 16.601 -0.136 -4.709 1.00 0.28 H new ATOM 0 HG3 GLN A 232 18.310 0.170 -4.473 1.00 0.28 H new ATOM 0 HE21 GLN A 232 15.896 -2.021 -5.711 1.00 0.36 H new ATOM 0 HE22 GLN A 232 17.011 -3.103 -6.554 1.00 0.36 H new ATOM 1112 N ARG A 233 15.343 -1.362 -0.661 1.00 0.24 N ATOM 1113 CA ARG A 233 14.918 -1.332 0.735 1.00 0.27 C ATOM 1114 C ARG A 233 14.152 -2.603 1.101 1.00 0.29 C ATOM 1115 O ARG A 233 14.218 -3.092 2.228 1.00 0.33 O ATOM 1116 CB ARG A 233 14.000 -0.123 0.940 1.00 0.27 C ATOM 1117 CG ARG A 233 14.642 1.183 0.497 1.00 0.27 C ATOM 1118 CD ARG A 233 14.192 2.374 1.330 1.00 0.40 C ATOM 1119 NE ARG A 233 12.739 2.524 1.395 1.00 0.69 N ATOM 1120 CZ ARG A 233 12.099 3.647 1.076 1.00 0.67 C ATOM 1121 NH1 ARG A 233 12.754 4.649 0.506 1.00 0.93 N ATOM 1122 NH2 ARG A 233 10.798 3.758 1.307 1.00 1.39 N ATOM 0 H ARG A 233 14.948 -0.609 -1.224 1.00 0.24 H new ATOM 0 HA ARG A 233 15.801 -1.263 1.371 1.00 0.27 H new ATOM 0 HB2 ARG A 233 13.075 -0.276 0.384 1.00 0.27 H new ATOM 0 HB3 ARG A 233 13.730 -0.051 1.994 1.00 0.27 H new ATOM 0 HG2 ARG A 233 15.726 1.090 0.561 1.00 0.27 H new ATOM 0 HG3 ARG A 233 14.399 1.365 -0.550 1.00 0.27 H new ATOM 0 HD2 ARG A 233 14.584 2.269 2.342 1.00 0.40 H new ATOM 0 HD3 ARG A 233 14.625 3.283 0.913 1.00 0.40 H new ATOM 0 HE ARG A 233 12.185 1.724 1.702 1.00 0.69 H new ATOM 0 HH11 ARG A 233 13.751 4.561 0.311 1.00 0.93 H new ATOM 0 HH12 ARG A 233 12.261 5.508 0.263 1.00 0.93 H new ATOM 0 HH21 ARG A 233 10.287 2.983 1.729 1.00 1.39 H new ATOM 0 HH22 ARG A 233 10.308 4.619 1.062 1.00 1.39 H new ATOM 1136 N VAL A 234 13.441 -3.131 0.107 1.00 0.27 N ATOM 1137 CA VAL A 234 12.513 -4.247 0.244 1.00 0.27 C ATOM 1138 C VAL A 234 11.960 -4.566 -1.140 1.00 0.25 C ATOM 1139 O VAL A 234 11.065 -3.901 -1.622 1.00 0.24 O ATOM 1140 CB VAL A 234 11.338 -3.946 1.231 1.00 0.27 C ATOM 1141 CG1 VAL A 234 10.929 -2.482 1.184 1.00 0.28 C ATOM 1142 CG2 VAL A 234 10.124 -4.830 0.950 1.00 0.26 C ATOM 0 H VAL A 234 13.499 -2.780 -0.849 1.00 0.27 H new ATOM 0 HA VAL A 234 13.054 -5.095 0.664 1.00 0.27 H new ATOM 0 HB VAL A 234 11.707 -4.173 2.231 1.00 0.27 H new ATOM 0 HG11 VAL A 234 10.110 -2.310 1.883 1.00 0.28 H new ATOM 0 HG12 VAL A 234 11.779 -1.858 1.460 1.00 0.28 H new ATOM 0 HG13 VAL A 234 10.604 -2.227 0.175 1.00 0.28 H new ATOM 0 HG21 VAL A 234 9.329 -4.591 1.656 1.00 0.26 H new ATOM 0 HG22 VAL A 234 9.772 -4.653 -0.066 1.00 0.26 H new ATOM 0 HG23 VAL A 234 10.404 -5.878 1.059 1.00 0.26 H new ATOM 1152 N PRO A 235 12.527 -5.549 -1.832 1.00 0.27 N ATOM 1153 CA PRO A 235 12.094 -5.896 -3.184 1.00 0.27 C ATOM 1154 C PRO A 235 10.786 -6.684 -3.226 1.00 0.30 C ATOM 1155 O PRO A 235 10.097 -6.701 -4.240 1.00 0.32 O ATOM 1156 CB PRO A 235 13.239 -6.767 -3.728 1.00 0.30 C ATOM 1157 CG PRO A 235 14.302 -6.782 -2.672 1.00 0.34 C ATOM 1158 CD PRO A 235 13.652 -6.370 -1.386 1.00 0.33 C ATOM 0 HA PRO A 235 11.897 -4.995 -3.764 1.00 0.27 H new ATOM 0 HB2 PRO A 235 12.890 -7.777 -3.941 1.00 0.30 H new ATOM 0 HB3 PRO A 235 13.626 -6.360 -4.662 1.00 0.30 H new ATOM 0 HG2 PRO A 235 14.740 -7.776 -2.581 1.00 0.34 H new ATOM 0 HG3 PRO A 235 15.111 -6.099 -2.931 1.00 0.34 H new ATOM 0 HD2 PRO A 235 13.318 -7.232 -0.809 1.00 0.33 H new ATOM 0 HD3 PRO A 235 14.336 -5.807 -0.751 1.00 0.33 H new ATOM 1166 N ARG A 236 10.421 -7.309 -2.120 1.00 0.31 N ATOM 1167 CA ARG A 236 9.338 -8.284 -2.141 1.00 0.31 C ATOM 1168 C ARG A 236 7.970 -7.650 -1.933 1.00 0.28 C ATOM 1169 O ARG A 236 7.083 -8.261 -1.348 1.00 0.32 O ATOM 1170 CB ARG A 236 9.572 -9.356 -1.079 1.00 0.39 C ATOM 1171 CG ARG A 236 11.022 -9.777 -0.964 1.00 0.67 C ATOM 1172 CD ARG A 236 11.841 -8.805 -0.124 1.00 1.04 C ATOM 1173 NE ARG A 236 11.470 -8.833 1.288 1.00 1.78 N ATOM 1174 CZ ARG A 236 11.964 -7.995 2.199 1.00 2.75 C ATOM 1175 NH1 ARG A 236 12.898 -7.116 1.869 1.00 3.36 N ATOM 1176 NH2 ARG A 236 11.553 -8.054 3.456 1.00 3.49 N ATOM 0 H ARG A 236 10.850 -7.164 -1.206 1.00 0.31 H new ATOM 0 HA ARG A 236 9.341 -8.734 -3.134 1.00 0.31 H new ATOM 0 HB2 ARG A 236 9.232 -8.982 -0.113 1.00 0.39 H new ATOM 0 HB3 ARG A 236 8.964 -10.230 -1.314 1.00 0.39 H new ATOM 0 HG2 ARG A 236 11.075 -10.771 -0.521 1.00 0.67 H new ATOM 0 HG3 ARG A 236 11.457 -9.849 -1.961 1.00 0.67 H new ATOM 0 HD2 ARG A 236 12.899 -9.047 -0.223 1.00 1.04 H new ATOM 0 HD3 ARG A 236 11.708 -7.795 -0.511 1.00 1.04 H new ATOM 0 HE ARG A 236 10.795 -9.533 1.594 1.00 1.78 H new ATOM 0 HH11 ARG A 236 13.245 -7.076 0.911 1.00 3.36 H new ATOM 0 HH12 ARG A 236 13.270 -6.479 2.573 1.00 3.36 H new ATOM 0 HH21 ARG A 236 10.854 -8.744 3.732 1.00 3.49 H new ATOM 0 HH22 ARG A 236 11.935 -7.410 4.148 1.00 3.49 H new ATOM 1190 N GLY A 237 7.797 -6.425 -2.382 1.00 0.23 N ATOM 1191 CA GLY A 237 6.504 -5.787 -2.252 1.00 0.20 C ATOM 1192 C GLY A 237 5.843 -5.461 -3.583 1.00 0.15 C ATOM 1193 O GLY A 237 5.015 -4.559 -3.651 1.00 0.15 O ATOM 0 H GLY A 237 8.518 -5.861 -2.831 1.00 0.23 H new ATOM 0 HA2 GLY A 237 5.844 -6.438 -1.679 1.00 0.20 H new ATOM 0 HA3 GLY A 237 6.619 -4.867 -1.679 1.00 0.20 H new ATOM 1197 N GLU A 238 6.169 -6.217 -4.635 1.00 0.16 N ATOM 1198 CA GLU A 238 5.593 -5.994 -5.969 1.00 0.15 C ATOM 1199 C GLU A 238 4.061 -6.043 -5.957 1.00 0.13 C ATOM 1200 O GLU A 238 3.393 -5.199 -6.562 1.00 0.13 O ATOM 1201 CB GLU A 238 6.139 -7.023 -6.964 1.00 0.19 C ATOM 1202 CG GLU A 238 5.799 -8.464 -6.622 1.00 1.06 C ATOM 1203 CD GLU A 238 6.139 -9.419 -7.745 1.00 1.37 C ATOM 1204 OE1 GLU A 238 6.080 -9.007 -8.921 1.00 1.55 O ATOM 1205 OE2 GLU A 238 6.496 -10.581 -7.457 1.00 1.74 O ATOM 0 H GLU A 238 6.831 -6.992 -4.591 1.00 0.16 H new ATOM 0 HA GLU A 238 5.887 -4.992 -6.280 1.00 0.15 H new ATOM 0 HB2 GLU A 238 5.748 -6.795 -7.956 1.00 0.19 H new ATOM 0 HB3 GLU A 238 7.223 -6.920 -7.017 1.00 0.19 H new ATOM 0 HG2 GLU A 238 6.340 -8.758 -5.722 1.00 1.06 H new ATOM 0 HG3 GLU A 238 4.736 -8.539 -6.394 1.00 1.06 H new ATOM 1212 N ILE A 239 3.525 -7.016 -5.243 1.00 0.12 N ATOM 1213 CA ILE A 239 2.084 -7.229 -5.192 1.00 0.12 C ATOM 1214 C ILE A 239 1.419 -6.056 -4.449 1.00 0.12 C ATOM 1215 O ILE A 239 0.289 -5.660 -4.745 1.00 0.12 O ATOM 1216 CB ILE A 239 1.770 -8.596 -4.525 1.00 0.13 C ATOM 1217 CG1 ILE A 239 0.575 -9.288 -5.204 1.00 0.18 C ATOM 1218 CG2 ILE A 239 1.540 -8.452 -3.028 1.00 0.25 C ATOM 1219 CD1 ILE A 239 -0.715 -8.499 -5.181 1.00 0.26 C ATOM 0 H ILE A 239 4.067 -7.677 -4.686 1.00 0.12 H new ATOM 0 HA ILE A 239 1.676 -7.261 -6.202 1.00 0.12 H new ATOM 0 HB ILE A 239 2.646 -9.230 -4.662 1.00 0.13 H new ATOM 0 HG12 ILE A 239 0.837 -9.498 -6.241 1.00 0.18 H new ATOM 0 HG13 ILE A 239 0.405 -10.248 -4.717 1.00 0.18 H new ATOM 0 HG21 ILE A 239 1.323 -9.430 -2.597 1.00 0.25 H new ATOM 0 HG22 ILE A 239 2.434 -8.040 -2.560 1.00 0.25 H new ATOM 0 HG23 ILE A 239 0.697 -7.783 -2.852 1.00 0.25 H new ATOM 0 HD11 ILE A 239 -1.498 -9.067 -5.683 1.00 0.26 H new ATOM 0 HD12 ILE A 239 -1.008 -8.311 -4.148 1.00 0.26 H new ATOM 0 HD13 ILE A 239 -0.570 -7.549 -5.696 1.00 0.26 H new ATOM 1231 N LEU A 240 2.173 -5.475 -3.531 1.00 0.13 N ATOM 1232 CA LEU A 240 1.710 -4.341 -2.745 1.00 0.14 C ATOM 1233 C LEU A 240 1.499 -3.121 -3.637 1.00 0.14 C ATOM 1234 O LEU A 240 0.413 -2.550 -3.679 1.00 0.14 O ATOM 1235 CB LEU A 240 2.712 -4.065 -1.619 1.00 0.18 C ATOM 1236 CG LEU A 240 2.309 -4.657 -0.269 1.00 0.24 C ATOM 1237 CD1 LEU A 240 3.505 -4.743 0.650 1.00 0.45 C ATOM 1238 CD2 LEU A 240 1.217 -3.821 0.374 1.00 0.25 C ATOM 0 H LEU A 240 3.122 -5.775 -3.309 1.00 0.13 H new ATOM 0 HA LEU A 240 0.745 -4.573 -2.294 1.00 0.14 H new ATOM 0 HB2 LEU A 240 3.684 -4.467 -1.905 1.00 0.18 H new ATOM 0 HB3 LEU A 240 2.833 -2.987 -1.510 1.00 0.18 H new ATOM 0 HG LEU A 240 1.925 -5.663 -0.438 1.00 0.24 H new ATOM 0 HD11 LEU A 240 3.199 -5.167 1.607 1.00 0.45 H new ATOM 0 HD12 LEU A 240 4.266 -5.379 0.198 1.00 0.45 H new ATOM 0 HD13 LEU A 240 3.914 -3.745 0.809 1.00 0.45 H new ATOM 0 HD21 LEU A 240 0.943 -4.257 1.334 1.00 0.25 H new ATOM 0 HD22 LEU A 240 1.580 -2.805 0.528 1.00 0.25 H new ATOM 0 HD23 LEU A 240 0.344 -3.800 -0.278 1.00 0.25 H new ATOM 1250 N TRP A 241 2.533 -2.761 -4.378 1.00 0.14 N ATOM 1251 CA TRP A 241 2.484 -1.640 -5.312 1.00 0.15 C ATOM 1252 C TRP A 241 1.360 -1.761 -6.331 1.00 0.15 C ATOM 1253 O TRP A 241 0.761 -0.770 -6.748 1.00 0.16 O ATOM 1254 CB TRP A 241 3.825 -1.563 -6.013 1.00 0.17 C ATOM 1255 CG TRP A 241 4.850 -1.103 -5.034 1.00 0.16 C ATOM 1256 CD1 TRP A 241 5.679 -1.884 -4.301 1.00 0.17 C ATOM 1257 CD2 TRP A 241 5.102 0.248 -4.625 1.00 0.16 C ATOM 1258 NE1 TRP A 241 6.438 -1.112 -3.467 1.00 0.17 N ATOM 1259 CE2 TRP A 241 6.110 0.200 -3.649 1.00 0.17 C ATOM 1260 CE3 TRP A 241 4.584 1.495 -4.992 1.00 0.18 C ATOM 1261 CZ2 TRP A 241 6.609 1.337 -3.031 1.00 0.18 C ATOM 1262 CZ3 TRP A 241 5.085 2.628 -4.380 1.00 0.19 C ATOM 1263 CH2 TRP A 241 6.089 2.543 -3.410 1.00 0.19 C ATOM 0 H TRP A 241 3.435 -3.237 -4.352 1.00 0.14 H new ATOM 0 HA TRP A 241 2.278 -0.730 -4.749 1.00 0.15 H new ATOM 0 HB2 TRP A 241 4.098 -2.539 -6.415 1.00 0.17 H new ATOM 0 HB3 TRP A 241 3.772 -0.874 -6.856 1.00 0.17 H new ATOM 0 HD1 TRP A 241 5.732 -2.961 -4.366 1.00 0.17 H new ATOM 0 HE1 TRP A 241 7.138 -1.461 -2.813 1.00 0.17 H new ATOM 0 HE3 TRP A 241 3.808 1.570 -5.739 1.00 0.18 H new ATOM 0 HZ2 TRP A 241 7.380 1.272 -2.278 1.00 0.18 H new ATOM 0 HZ3 TRP A 241 4.694 3.596 -4.656 1.00 0.19 H new ATOM 0 HH2 TRP A 241 6.461 3.448 -2.952 1.00 0.19 H new ATOM 1274 N SER A 242 1.111 -2.995 -6.739 1.00 0.15 N ATOM 1275 CA SER A 242 0.066 -3.295 -7.706 1.00 0.15 C ATOM 1276 C SER A 242 -1.293 -2.845 -7.174 1.00 0.14 C ATOM 1277 O SER A 242 -2.052 -2.161 -7.864 1.00 0.14 O ATOM 1278 CB SER A 242 0.050 -4.795 -8.000 1.00 0.16 C ATOM 1279 OG SER A 242 -0.852 -5.106 -9.051 1.00 0.24 O ATOM 0 H SER A 242 1.624 -3.813 -6.412 1.00 0.15 H new ATOM 0 HA SER A 242 0.271 -2.754 -8.630 1.00 0.15 H new ATOM 0 HB2 SER A 242 1.053 -5.125 -8.269 1.00 0.16 H new ATOM 0 HB3 SER A 242 -0.235 -5.341 -7.100 1.00 0.16 H new ATOM 0 HG SER A 242 -0.840 -6.072 -9.218 1.00 0.24 H new ATOM 1285 N HIS A 243 -1.578 -3.210 -5.930 1.00 0.13 N ATOM 1286 CA HIS A 243 -2.817 -2.802 -5.281 1.00 0.13 C ATOM 1287 C HIS A 243 -2.804 -1.296 -5.045 1.00 0.13 C ATOM 1288 O HIS A 243 -3.843 -0.643 -5.046 1.00 0.13 O ATOM 1289 CB HIS A 243 -2.999 -3.554 -3.956 1.00 0.15 C ATOM 1290 CG HIS A 243 -4.197 -3.120 -3.162 1.00 0.15 C ATOM 1291 ND1 HIS A 243 -4.133 -2.979 -1.800 1.00 0.17 N ATOM 1292 CD2 HIS A 243 -5.455 -2.817 -3.576 1.00 0.15 C ATOM 1293 CE1 HIS A 243 -5.336 -2.601 -1.414 1.00 0.17 C ATOM 1294 NE2 HIS A 243 -6.171 -2.488 -2.455 1.00 0.17 N ATOM 0 H HIS A 243 -0.968 -3.787 -5.351 1.00 0.13 H new ATOM 0 HA HIS A 243 -3.657 -3.049 -5.931 1.00 0.13 H new ATOM 0 HB2 HIS A 243 -3.082 -4.621 -4.165 1.00 0.15 H new ATOM 0 HB3 HIS A 243 -2.105 -3.417 -3.348 1.00 0.15 H new ATOM 0 HD1 HIS A 243 -3.319 -3.135 -1.205 1.00 0.17 H new ATOM 0 HD2 HIS A 243 -5.820 -2.832 -4.592 1.00 0.15 H new ATOM 0 HE1 HIS A 243 -5.613 -2.407 -0.388 1.00 0.17 H new ATOM 1302 N LEU A 244 -1.612 -0.757 -4.881 1.00 0.13 N ATOM 1303 CA LEU A 244 -1.461 0.666 -4.632 1.00 0.12 C ATOM 1304 C LEU A 244 -1.848 1.470 -5.868 1.00 0.13 C ATOM 1305 O LEU A 244 -2.560 2.472 -5.769 1.00 0.12 O ATOM 1306 CB LEU A 244 -0.041 1.011 -4.187 1.00 0.13 C ATOM 1307 CG LEU A 244 0.264 2.505 -4.148 1.00 0.15 C ATOM 1308 CD1 LEU A 244 -0.839 3.247 -3.413 1.00 0.17 C ATOM 1309 CD2 LEU A 244 1.612 2.757 -3.492 1.00 0.17 C ATOM 0 H LEU A 244 -0.736 -1.279 -4.915 1.00 0.13 H new ATOM 0 HA LEU A 244 -2.135 0.933 -3.818 1.00 0.12 H new ATOM 0 HB2 LEU A 244 0.127 0.593 -3.195 1.00 0.13 H new ATOM 0 HB3 LEU A 244 0.665 0.526 -4.861 1.00 0.13 H new ATOM 0 HG LEU A 244 0.309 2.879 -5.171 1.00 0.15 H new ATOM 0 HD11 LEU A 244 -0.609 4.312 -3.392 1.00 0.17 H new ATOM 0 HD12 LEU A 244 -1.788 3.090 -3.926 1.00 0.17 H new ATOM 0 HD13 LEU A 244 -0.912 2.872 -2.392 1.00 0.17 H new ATOM 0 HD21 LEU A 244 1.813 3.828 -3.473 1.00 0.17 H new ATOM 0 HD22 LEU A 244 1.598 2.372 -2.472 1.00 0.17 H new ATOM 0 HD23 LEU A 244 2.393 2.251 -4.060 1.00 0.17 H new ATOM 1321 N GLU A 245 -1.387 1.042 -7.031 1.00 0.15 N ATOM 1322 CA GLU A 245 -1.802 1.687 -8.260 1.00 0.18 C ATOM 1323 C GLU A 245 -3.316 1.604 -8.416 1.00 0.17 C ATOM 1324 O GLU A 245 -3.956 2.572 -8.799 1.00 0.21 O ATOM 1325 CB GLU A 245 -1.076 1.093 -9.464 1.00 0.25 C ATOM 1326 CG GLU A 245 0.430 1.275 -9.381 1.00 0.34 C ATOM 1327 CD GLU A 245 1.078 1.418 -10.740 1.00 0.59 C ATOM 1328 OE1 GLU A 245 1.419 0.388 -11.357 1.00 0.76 O ATOM 1329 OE2 GLU A 245 1.258 2.571 -11.192 1.00 0.83 O ATOM 0 H GLU A 245 -0.737 0.265 -7.148 1.00 0.15 H new ATOM 0 HA GLU A 245 -1.528 2.741 -8.209 1.00 0.18 H new ATOM 0 HB2 GLU A 245 -1.307 0.030 -9.536 1.00 0.25 H new ATOM 0 HB3 GLU A 245 -1.446 1.562 -10.376 1.00 0.25 H new ATOM 0 HG2 GLU A 245 0.652 2.159 -8.783 1.00 0.34 H new ATOM 0 HG3 GLU A 245 0.867 0.421 -8.863 1.00 0.34 H new ATOM 1336 N LEU A 246 -3.882 0.459 -8.057 1.00 0.16 N ATOM 1337 CA LEU A 246 -5.331 0.267 -8.088 1.00 0.16 C ATOM 1338 C LEU A 246 -6.028 1.178 -7.073 1.00 0.16 C ATOM 1339 O LEU A 246 -7.112 1.687 -7.341 1.00 0.17 O ATOM 1340 CB LEU A 246 -5.680 -1.201 -7.828 1.00 0.17 C ATOM 1341 CG LEU A 246 -7.154 -1.557 -7.954 1.00 0.21 C ATOM 1342 CD1 LEU A 246 -7.582 -1.492 -9.406 1.00 0.30 C ATOM 1343 CD2 LEU A 246 -7.420 -2.939 -7.377 1.00 0.22 C ATOM 0 H LEU A 246 -3.359 -0.357 -7.739 1.00 0.16 H new ATOM 0 HA LEU A 246 -5.689 0.538 -9.081 1.00 0.16 H new ATOM 0 HB2 LEU A 246 -5.114 -1.820 -8.525 1.00 0.17 H new ATOM 0 HB3 LEU A 246 -5.345 -1.463 -6.824 1.00 0.17 H new ATOM 0 HG LEU A 246 -7.739 -0.834 -7.386 1.00 0.21 H new ATOM 0 HD11 LEU A 246 -8.638 -1.748 -9.486 1.00 0.30 H new ATOM 0 HD12 LEU A 246 -7.424 -0.483 -9.787 1.00 0.30 H new ATOM 0 HD13 LEU A 246 -6.992 -2.198 -9.991 1.00 0.30 H new ATOM 0 HD21 LEU A 246 -8.479 -3.177 -7.476 1.00 0.22 H new ATOM 0 HD22 LEU A 246 -6.830 -3.679 -7.918 1.00 0.22 H new ATOM 0 HD23 LEU A 246 -7.142 -2.953 -6.323 1.00 0.22 H new ATOM 1355 N LEU A 247 -5.404 1.392 -5.927 1.00 0.17 N ATOM 1356 CA LEU A 247 -5.882 2.388 -4.968 1.00 0.16 C ATOM 1357 C LEU A 247 -5.990 3.771 -5.616 1.00 0.17 C ATOM 1358 O LEU A 247 -7.068 4.361 -5.645 1.00 0.19 O ATOM 1359 CB LEU A 247 -4.950 2.462 -3.751 1.00 0.15 C ATOM 1360 CG LEU A 247 -4.970 1.245 -2.822 1.00 0.15 C ATOM 1361 CD1 LEU A 247 -3.875 1.357 -1.774 1.00 0.15 C ATOM 1362 CD2 LEU A 247 -6.327 1.112 -2.149 1.00 0.19 C ATOM 0 H LEU A 247 -4.565 0.892 -5.633 1.00 0.17 H new ATOM 0 HA LEU A 247 -6.874 2.077 -4.640 1.00 0.16 H new ATOM 0 HB2 LEU A 247 -3.930 2.607 -4.106 1.00 0.15 H new ATOM 0 HB3 LEU A 247 -5.213 3.345 -3.168 1.00 0.15 H new ATOM 0 HG LEU A 247 -4.789 0.353 -3.422 1.00 0.15 H new ATOM 0 HD11 LEU A 247 -3.904 0.484 -1.123 1.00 0.15 H new ATOM 0 HD12 LEU A 247 -2.904 1.410 -2.267 1.00 0.15 H new ATOM 0 HD13 LEU A 247 -4.030 2.258 -1.180 1.00 0.15 H new ATOM 0 HD21 LEU A 247 -6.324 0.242 -1.492 1.00 0.19 H new ATOM 0 HD22 LEU A 247 -6.532 2.008 -1.563 1.00 0.19 H new ATOM 0 HD23 LEU A 247 -7.099 0.990 -2.908 1.00 0.19 H new ATOM 1374 N ARG A 248 -4.901 4.278 -6.166 1.00 0.18 N ATOM 1375 CA ARG A 248 -4.928 5.637 -6.706 1.00 0.22 C ATOM 1376 C ARG A 248 -5.687 5.708 -8.035 1.00 0.23 C ATOM 1377 O ARG A 248 -6.152 6.775 -8.431 1.00 0.36 O ATOM 1378 CB ARG A 248 -3.522 6.221 -6.850 1.00 0.25 C ATOM 1379 CG ARG A 248 -2.635 5.460 -7.822 1.00 0.28 C ATOM 1380 CD ARG A 248 -1.286 6.135 -7.985 1.00 0.27 C ATOM 1381 NE ARG A 248 -0.395 5.395 -8.879 1.00 1.21 N ATOM 1382 CZ ARG A 248 0.877 5.729 -9.092 1.00 1.50 C ATOM 1383 NH1 ARG A 248 1.382 6.817 -8.515 1.00 1.09 N ATOM 1384 NH2 ARG A 248 1.642 4.981 -9.882 1.00 2.49 N ATOM 0 H ARG A 248 -4.009 3.791 -6.252 1.00 0.18 H new ATOM 0 HA ARG A 248 -5.468 6.248 -5.983 1.00 0.22 H new ATOM 0 HB2 ARG A 248 -3.602 7.257 -7.181 1.00 0.25 H new ATOM 0 HB3 ARG A 248 -3.043 6.235 -5.871 1.00 0.25 H new ATOM 0 HG2 ARG A 248 -2.492 4.440 -7.465 1.00 0.28 H new ATOM 0 HG3 ARG A 248 -3.129 5.392 -8.791 1.00 0.28 H new ATOM 0 HD2 ARG A 248 -1.432 7.142 -8.375 1.00 0.27 H new ATOM 0 HD3 ARG A 248 -0.813 6.236 -7.008 1.00 0.27 H new ATOM 0 HE ARG A 248 -0.768 4.580 -9.365 1.00 1.21 H new ATOM 0 HH11 ARG A 248 0.795 7.393 -7.911 1.00 1.09 H new ATOM 0 HH12 ARG A 248 2.356 7.075 -8.677 1.00 1.09 H new ATOM 0 HH21 ARG A 248 1.255 4.149 -10.327 1.00 2.49 H new ATOM 0 HH22 ARG A 248 2.615 5.240 -10.043 1.00 2.49 H new ATOM 1398 N LYS A 249 -5.847 4.576 -8.698 1.00 0.21 N ATOM 1399 CA LYS A 249 -6.624 4.523 -9.937 1.00 0.25 C ATOM 1400 C LYS A 249 -8.119 4.498 -9.651 1.00 0.20 C ATOM 1401 O LYS A 249 -8.907 5.105 -10.372 1.00 0.25 O ATOM 1402 CB LYS A 249 -6.242 3.298 -10.769 1.00 0.33 C ATOM 1403 CG LYS A 249 -4.881 3.417 -11.438 1.00 0.44 C ATOM 1404 CD LYS A 249 -4.849 4.536 -12.466 1.00 1.04 C ATOM 1405 CE LYS A 249 -5.644 4.182 -13.713 1.00 1.12 C ATOM 1406 NZ LYS A 249 -5.127 2.949 -14.363 1.00 1.32 N ATOM 0 H LYS A 249 -5.454 3.681 -8.406 1.00 0.21 H new ATOM 0 HA LYS A 249 -6.392 5.425 -10.503 1.00 0.25 H new ATOM 0 HB2 LYS A 249 -6.246 2.417 -10.127 1.00 0.33 H new ATOM 0 HB3 LYS A 249 -7.001 3.138 -11.535 1.00 0.33 H new ATOM 0 HG2 LYS A 249 -4.119 3.599 -10.680 1.00 0.44 H new ATOM 0 HG3 LYS A 249 -4.631 2.473 -11.922 1.00 0.44 H new ATOM 0 HD2 LYS A 249 -5.253 5.447 -12.024 1.00 1.04 H new ATOM 0 HD3 LYS A 249 -3.816 4.747 -12.742 1.00 1.04 H new ATOM 0 HE2 LYS A 249 -6.692 4.042 -13.449 1.00 1.12 H new ATOM 0 HE3 LYS A 249 -5.601 5.011 -14.419 1.00 1.12 H new ATOM 0 HZ1 LYS A 249 -5.045 3.105 -15.388 1.00 1.32 H new ATOM 0 HZ2 LYS A 249 -4.192 2.716 -13.972 1.00 1.32 H new ATOM 0 HZ3 LYS A 249 -5.782 2.161 -14.184 1.00 1.32 H new ATOM 1420 N TYR A 250 -8.503 3.826 -8.577 1.00 0.24 N ATOM 1421 CA TYR A 250 -9.918 3.600 -8.285 1.00 0.41 C ATOM 1422 C TYR A 250 -10.409 4.527 -7.186 1.00 0.49 C ATOM 1423 O TYR A 250 -11.255 4.164 -6.369 1.00 0.58 O ATOM 1424 CB TYR A 250 -10.193 2.139 -7.909 1.00 0.51 C ATOM 1425 CG TYR A 250 -10.268 1.187 -9.086 1.00 0.50 C ATOM 1426 CD1 TYR A 250 -9.685 1.524 -10.301 1.00 1.05 C ATOM 1427 CD2 TYR A 250 -10.908 -0.042 -8.985 1.00 0.64 C ATOM 1428 CE1 TYR A 250 -9.740 0.667 -11.383 1.00 1.05 C ATOM 1429 CE2 TYR A 250 -10.968 -0.906 -10.061 1.00 0.69 C ATOM 1430 CZ TYR A 250 -10.430 -0.575 -11.234 1.00 0.54 C ATOM 1431 OH TYR A 250 -10.447 -1.407 -12.334 1.00 0.59 O ATOM 0 H TYR A 250 -7.861 3.427 -7.893 1.00 0.24 H new ATOM 0 HA TYR A 250 -10.470 3.823 -9.198 1.00 0.41 H new ATOM 0 HB2 TYR A 250 -9.409 1.798 -7.232 1.00 0.51 H new ATOM 0 HB3 TYR A 250 -11.133 2.090 -7.359 1.00 0.51 H new ATOM 0 HD1 TYR A 250 -9.180 2.473 -10.401 1.00 1.05 H new ATOM 0 HD2 TYR A 250 -11.366 -0.327 -8.049 1.00 0.64 H new ATOM 0 HE1 TYR A 250 -9.272 0.930 -12.320 1.00 1.05 H new ATOM 0 HE2 TYR A 250 -11.457 -1.862 -9.950 1.00 0.69 H new ATOM 0 HH TYR A 250 -10.943 -2.224 -12.118 1.00 0.59 H new ATOM 1441 N VAL A 251 -9.861 5.731 -7.181 1.00 0.55 N ATOM 1442 CA VAL A 251 -10.381 6.822 -6.377 1.00 0.76 C ATOM 1443 C VAL A 251 -10.211 8.123 -7.161 1.00 0.83 C ATOM 1444 O VAL A 251 -10.584 9.203 -6.707 1.00 1.07 O ATOM 1445 CB VAL A 251 -9.653 6.928 -5.017 1.00 1.13 C ATOM 1446 CG1 VAL A 251 -8.220 7.405 -5.206 1.00 0.86 C ATOM 1447 CG2 VAL A 251 -10.411 7.836 -4.054 1.00 1.95 C ATOM 0 H VAL A 251 -9.042 5.979 -7.736 1.00 0.55 H new ATOM 0 HA VAL A 251 -11.434 6.634 -6.167 1.00 0.76 H new ATOM 0 HB VAL A 251 -9.622 5.932 -4.576 1.00 1.13 H new ATOM 0 HG11 VAL A 251 -7.728 7.472 -4.236 1.00 0.86 H new ATOM 0 HG12 VAL A 251 -7.682 6.699 -5.838 1.00 0.86 H new ATOM 0 HG13 VAL A 251 -8.223 8.387 -5.680 1.00 0.86 H new ATOM 0 HG21 VAL A 251 -9.874 7.890 -3.107 1.00 1.95 H new ATOM 0 HG22 VAL A 251 -10.492 8.835 -4.483 1.00 1.95 H new ATOM 0 HG23 VAL A 251 -11.409 7.433 -3.883 1.00 1.95 H new ATOM 1457 N LEU A 252 -9.661 7.976 -8.371 1.00 1.23 N ATOM 1458 CA LEU A 252 -9.276 9.106 -9.214 1.00 2.17 C ATOM 1459 C LEU A 252 -8.224 9.962 -8.516 1.00 3.19 C ATOM 1460 O LEU A 252 -8.167 11.178 -8.705 1.00 3.99 O ATOM 1461 CB LEU A 252 -10.492 9.952 -9.610 1.00 2.05 C ATOM 1462 CG LEU A 252 -11.538 9.222 -10.455 1.00 2.25 C ATOM 1463 CD1 LEU A 252 -12.678 10.159 -10.817 1.00 2.35 C ATOM 1464 CD2 LEU A 252 -10.903 8.649 -11.713 1.00 2.64 C ATOM 0 H LEU A 252 -9.471 7.066 -8.792 1.00 1.23 H new ATOM 0 HA LEU A 252 -8.843 8.705 -10.130 1.00 2.17 H new ATOM 0 HB2 LEU A 252 -10.971 10.320 -8.703 1.00 2.05 H new ATOM 0 HB3 LEU A 252 -10.144 10.825 -10.163 1.00 2.05 H new ATOM 0 HG LEU A 252 -11.941 8.398 -9.866 1.00 2.25 H new ATOM 0 HD11 LEU A 252 -13.413 9.623 -11.418 1.00 2.35 H new ATOM 0 HD12 LEU A 252 -13.152 10.525 -9.906 1.00 2.35 H new ATOM 0 HD13 LEU A 252 -12.289 11.002 -11.387 1.00 2.35 H new ATOM 0 HD21 LEU A 252 -11.662 8.133 -12.301 1.00 2.64 H new ATOM 0 HD22 LEU A 252 -10.473 9.457 -12.304 1.00 2.64 H new ATOM 0 HD23 LEU A 252 -10.118 7.945 -11.436 1.00 2.64 H new ATOM 1476 N ALA A 253 -7.394 9.287 -7.714 1.00 3.24 N ATOM 1477 CA ALA A 253 -6.318 9.916 -6.948 1.00 4.18 C ATOM 1478 C ALA A 253 -6.828 11.079 -6.096 1.00 4.09 C ATOM 1479 O ALA A 253 -6.790 12.236 -6.524 1.00 4.94 O ATOM 1480 CB ALA A 253 -5.204 10.356 -7.882 1.00 4.92 C ATOM 0 H ALA A 253 -7.453 8.278 -7.578 1.00 3.24 H new ATOM 0 HA ALA A 253 -5.918 9.176 -6.255 1.00 4.18 H new ATOM 0 HB1 ALA A 253 -4.407 10.823 -7.303 1.00 4.92 H new ATOM 0 HB2 ALA A 253 -4.808 9.489 -8.410 1.00 4.92 H new ATOM 0 HB3 ALA A 253 -5.596 11.072 -8.604 1.00 4.92 H new ATOM 1486 N SER A 254 -7.275 10.754 -4.879 1.00 3.08 N ATOM 1487 CA SER A 254 -7.876 11.723 -3.964 1.00 2.81 C ATOM 1488 C SER A 254 -9.215 12.228 -4.505 1.00 3.53 C ATOM 1489 O SER A 254 -9.228 13.210 -5.278 1.00 3.77 O ATOM 1490 CB SER A 254 -6.926 12.898 -3.701 1.00 3.46 C ATOM 1491 OG SER A 254 -5.686 12.456 -3.167 1.00 3.67 O ATOM 1492 OXT SER A 254 -10.256 11.636 -4.157 1.00 4.31 O ATOM 0 H SER A 254 -7.229 9.807 -4.502 1.00 3.08 H new ATOM 0 HA SER A 254 -8.058 11.215 -3.017 1.00 2.81 H new ATOM 0 HB2 SER A 254 -6.751 13.440 -4.630 1.00 3.46 H new ATOM 0 HB3 SER A 254 -7.394 13.597 -3.007 1.00 3.46 H new ATOM 0 HG SER A 254 -5.196 11.954 -3.851 1.00 3.67 H new TER 1498 SER A 254