USER MOD reduce.3.24.130724 H: found=0, std=0, add=741, rem=0, adj=21 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 188 HIS : no HD1:sc= -0.176 X(o=-0.31,f=-0.16) USER MOD Set 1.2: A 254 SER OG : rot 83:sc= -0.138 USER MOD Single : A 165 SER OG : rot -60:sc= 0.101 USER MOD Single : A 166 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 167 MET CE :methyl -176:sc= -1.24 (180deg=-1.68) USER MOD Single : A 173 TYR OH : rot 0:sc= -2.31 USER MOD Single : A 175 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 177 GLN : amide:sc= -3.18! C(o=-3.2!,f=-3.2!) USER MOD Single : A 184 TYR OH : rot -77:sc= -5.7! USER MOD Single : A 190 SER OG : rot 180:sc= 0 USER MOD Single : A 191 THR OG1 : rot 180:sc= 0 USER MOD Single : A 193 GLN : amide:sc= -1.1 K(o=-1.1,f=-0.098) USER MOD Single : A 196 HIS : no HD1:sc= -1.78! K(o=-1.8!,f=-0.39) USER MOD Single : A 202 MET CE :methyl -171:sc= -4.93! (180deg=-5.05!) USER MOD Single : A 203 LYS NZ :NH3+ 164:sc= -0.0205 (180deg=-0.269) USER MOD Single : A 206 SER OG : rot 180:sc= 0 USER MOD Single : A 207 MET CE :methyl -169:sc= -1.44 (180deg=-1.74) USER MOD Single : A 208 THR OG1 : rot 180:sc= 0 USER MOD Single : A 213 THR OG1 : rot 180:sc= 0.0294 USER MOD Single : A 214 THR OG1 : rot 146:sc= 0.654 USER MOD Single : A 216 ASN : amide:sc= -3.87! C(o=-3.9!,f=-2.4!) USER MOD Single : A 218 SER OG : rot 180:sc= 0.0233 USER MOD Single : A 223 CYS SG : rot -26:sc= -1.2 USER MOD Single : A 224 SER OG : rot 92:sc= 1.28 USER MOD Single : A 226 ASN : amide:sc= -0.732 K(o=-0.73,f=-5!) USER MOD Single : A 227 GLN : amide:sc= 0.869 K(o=0.87,f=-1) USER MOD Single : A 232 GLN : amide:sc= -0.306 X(o=-0.31,f=-0.048) USER MOD Single : A 242 SER OG : rot 180:sc= 0 USER MOD Single : A 243 HIS : no HE2:sc= -2.78 K(o=-2.8,f=-7.4!) USER MOD Single : A 249 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0699) USER MOD Single : A 250 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 164 -14.929 -9.417 -5.306 1.00 5.98 N ATOM 2 CA GLY A 164 -13.954 -10.039 -6.235 1.00 5.08 C ATOM 3 C GLY A 164 -13.825 -9.263 -7.531 1.00 4.07 C ATOM 4 O GLY A 164 -13.950 -8.043 -7.535 1.00 4.09 O ATOM 0 HA2 GLY A 164 -12.980 -10.099 -5.750 1.00 5.08 H new ATOM 0 HA3 GLY A 164 -14.264 -11.061 -6.454 1.00 5.08 H new ATOM 10 N SER A 165 -13.587 -9.980 -8.628 1.00 3.59 N ATOM 11 CA SER A 165 -13.445 -9.377 -9.952 1.00 3.14 C ATOM 12 C SER A 165 -12.288 -8.370 -9.973 1.00 2.20 C ATOM 13 O SER A 165 -12.470 -7.204 -10.332 1.00 2.60 O ATOM 14 CB SER A 165 -14.765 -8.705 -10.368 1.00 3.93 C ATOM 15 OG SER A 165 -14.739 -8.290 -11.727 1.00 4.65 O ATOM 0 H SER A 165 -13.487 -10.995 -8.624 1.00 3.59 H new ATOM 0 HA SER A 165 -13.213 -10.163 -10.670 1.00 3.14 H new ATOM 0 HB2 SER A 165 -15.591 -9.400 -10.216 1.00 3.93 H new ATOM 0 HB3 SER A 165 -14.952 -7.843 -9.728 1.00 3.93 H new ATOM 0 HG SER A 165 -14.009 -7.650 -11.860 1.00 4.65 H new ATOM 21 N HIS A 166 -11.100 -8.836 -9.579 1.00 1.55 N ATOM 22 CA HIS A 166 -9.901 -7.991 -9.519 1.00 0.98 C ATOM 23 C HIS A 166 -10.106 -6.802 -8.587 1.00 0.85 C ATOM 24 O HIS A 166 -9.584 -5.711 -8.823 1.00 1.45 O ATOM 25 CB HIS A 166 -9.501 -7.506 -10.917 1.00 1.69 C ATOM 26 CG HIS A 166 -8.880 -8.571 -11.766 1.00 2.07 C ATOM 27 ND1 HIS A 166 -9.596 -9.231 -12.736 1.00 2.94 N ATOM 28 CD2 HIS A 166 -7.611 -9.038 -11.757 1.00 2.43 C ATOM 29 CE1 HIS A 166 -8.747 -10.078 -13.293 1.00 3.54 C ATOM 30 NE2 HIS A 166 -7.534 -9.997 -12.732 1.00 3.27 N ATOM 0 H HIS A 166 -10.941 -9.802 -9.294 1.00 1.55 H new ATOM 0 HA HIS A 166 -9.092 -8.602 -9.118 1.00 0.98 H new ATOM 0 HB2 HIS A 166 -10.384 -7.118 -11.424 1.00 1.69 H new ATOM 0 HB3 HIS A 166 -8.800 -6.677 -10.818 1.00 1.69 H new ATOM 0 HD2 HIS A 166 -6.812 -8.717 -11.106 1.00 2.43 H new ATOM 0 HE1 HIS A 166 -9.000 -10.751 -14.099 1.00 3.54 H new ATOM 0 HE2 HIS A 166 -6.711 -10.544 -12.983 1.00 3.27 H new ATOM 38 N MET A 167 -10.868 -7.021 -7.527 1.00 0.64 N ATOM 39 CA MET A 167 -11.177 -5.964 -6.572 1.00 0.52 C ATOM 40 C MET A 167 -11.008 -6.456 -5.141 1.00 0.40 C ATOM 41 O MET A 167 -11.116 -5.669 -4.209 1.00 0.39 O ATOM 42 CB MET A 167 -12.614 -5.465 -6.768 1.00 0.71 C ATOM 43 CG MET A 167 -12.881 -4.831 -8.125 1.00 0.99 C ATOM 44 SD MET A 167 -12.235 -3.154 -8.257 1.00 0.96 S ATOM 45 CE MET A 167 -13.320 -2.295 -7.118 1.00 1.20 C ATOM 0 H MET A 167 -11.286 -7.924 -7.304 1.00 0.64 H new ATOM 0 HA MET A 167 -10.481 -5.144 -6.750 1.00 0.52 H new ATOM 0 HB2 MET A 167 -13.298 -6.303 -6.631 1.00 0.71 H new ATOM 0 HB3 MET A 167 -12.842 -4.737 -5.990 1.00 0.71 H new ATOM 0 HG2 MET A 167 -12.434 -5.449 -8.903 1.00 0.99 H new ATOM 0 HG3 MET A 167 -13.955 -4.816 -8.308 1.00 0.99 H new ATOM 0 HE1 MET A 167 -13.097 -1.228 -7.138 1.00 1.20 H new ATOM 0 HE2 MET A 167 -14.357 -2.455 -7.413 1.00 1.20 H new ATOM 0 HE3 MET A 167 -13.167 -2.679 -6.110 1.00 1.20 H new ATOM 55 N ALA A 168 -10.713 -7.748 -4.975 1.00 0.41 N ATOM 56 CA ALA A 168 -10.663 -8.378 -3.647 1.00 0.40 C ATOM 57 C ALA A 168 -9.738 -7.631 -2.693 1.00 0.31 C ATOM 58 O ALA A 168 -10.100 -7.360 -1.546 1.00 0.35 O ATOM 59 CB ALA A 168 -10.225 -9.831 -3.764 1.00 0.53 C ATOM 0 H ALA A 168 -10.504 -8.383 -5.745 1.00 0.41 H new ATOM 0 HA ALA A 168 -11.670 -8.336 -3.233 1.00 0.40 H new ATOM 0 HB1 ALA A 168 -10.193 -10.282 -2.772 1.00 0.53 H new ATOM 0 HB2 ALA A 168 -10.934 -10.376 -4.388 1.00 0.53 H new ATOM 0 HB3 ALA A 168 -9.234 -9.877 -4.216 1.00 0.53 H new ATOM 65 N ALA A 169 -8.550 -7.295 -3.170 1.00 0.28 N ATOM 66 CA ALA A 169 -7.593 -6.555 -2.362 1.00 0.24 C ATOM 67 C ALA A 169 -8.082 -5.133 -2.112 1.00 0.20 C ATOM 68 O ALA A 169 -7.860 -4.565 -1.042 1.00 0.19 O ATOM 69 CB ALA A 169 -6.229 -6.536 -3.041 1.00 0.31 C ATOM 0 H ALA A 169 -8.226 -7.522 -4.110 1.00 0.28 H new ATOM 0 HA ALA A 169 -7.497 -7.057 -1.399 1.00 0.24 H new ATOM 0 HB1 ALA A 169 -5.523 -5.979 -2.425 1.00 0.31 H new ATOM 0 HB2 ALA A 169 -5.872 -7.558 -3.168 1.00 0.31 H new ATOM 0 HB3 ALA A 169 -6.315 -6.058 -4.017 1.00 0.31 H new ATOM 75 N LEU A 170 -8.776 -4.570 -3.092 1.00 0.21 N ATOM 76 CA LEU A 170 -9.206 -3.183 -3.016 1.00 0.19 C ATOM 77 C LEU A 170 -10.400 -3.020 -2.086 1.00 0.16 C ATOM 78 O LEU A 170 -10.354 -2.222 -1.154 1.00 0.17 O ATOM 79 CB LEU A 170 -9.568 -2.637 -4.394 1.00 0.23 C ATOM 80 CG LEU A 170 -9.768 -1.124 -4.423 1.00 0.26 C ATOM 81 CD1 LEU A 170 -8.424 -0.420 -4.437 1.00 0.29 C ATOM 82 CD2 LEU A 170 -10.606 -0.705 -5.611 1.00 0.29 C ATOM 0 H LEU A 170 -9.052 -5.053 -3.947 1.00 0.21 H new ATOM 0 HA LEU A 170 -8.365 -2.616 -2.617 1.00 0.19 H new ATOM 0 HB2 LEU A 170 -8.780 -2.904 -5.099 1.00 0.23 H new ATOM 0 HB3 LEU A 170 -10.482 -3.122 -4.738 1.00 0.23 H new ATOM 0 HG LEU A 170 -10.306 -0.833 -3.521 1.00 0.26 H new ATOM 0 HD11 LEU A 170 -8.579 0.659 -4.458 1.00 0.29 H new ATOM 0 HD12 LEU A 170 -7.863 -0.689 -3.542 1.00 0.29 H new ATOM 0 HD13 LEU A 170 -7.864 -0.723 -5.321 1.00 0.29 H new ATOM 0 HD21 LEU A 170 -10.731 0.378 -5.604 1.00 0.29 H new ATOM 0 HD22 LEU A 170 -10.108 -1.007 -6.532 1.00 0.29 H new ATOM 0 HD23 LEU A 170 -11.584 -1.183 -5.553 1.00 0.29 H new ATOM 94 N GLU A 171 -11.461 -3.775 -2.350 1.00 0.19 N ATOM 95 CA GLU A 171 -12.688 -3.690 -1.562 1.00 0.24 C ATOM 96 C GLU A 171 -12.402 -4.000 -0.098 1.00 0.22 C ATOM 97 O GLU A 171 -12.962 -3.376 0.803 1.00 0.26 O ATOM 98 CB GLU A 171 -13.744 -4.656 -2.114 1.00 0.36 C ATOM 99 CG GLU A 171 -13.265 -6.097 -2.190 1.00 1.00 C ATOM 100 CD GLU A 171 -14.310 -7.045 -2.736 1.00 1.16 C ATOM 101 OE1 GLU A 171 -15.113 -7.575 -1.939 1.00 1.46 O ATOM 102 OE2 GLU A 171 -14.345 -7.250 -3.968 1.00 1.10 O ATOM 0 H GLU A 171 -11.497 -4.457 -3.108 1.00 0.19 H new ATOM 0 HA GLU A 171 -13.075 -2.673 -1.632 1.00 0.24 H new ATOM 0 HB2 GLU A 171 -14.633 -4.609 -1.484 1.00 0.36 H new ATOM 0 HB3 GLU A 171 -14.041 -4.327 -3.110 1.00 0.36 H new ATOM 0 HG2 GLU A 171 -12.376 -6.145 -2.819 1.00 1.00 H new ATOM 0 HG3 GLU A 171 -12.969 -6.428 -1.194 1.00 1.00 H new ATOM 109 N GLY A 172 -11.510 -4.959 0.121 1.00 0.19 N ATOM 110 CA GLY A 172 -11.124 -5.324 1.464 1.00 0.22 C ATOM 111 C GLY A 172 -10.448 -4.183 2.191 1.00 0.19 C ATOM 112 O GLY A 172 -10.801 -3.871 3.329 1.00 0.22 O ATOM 0 H GLY A 172 -11.047 -5.491 -0.615 1.00 0.19 H new ATOM 0 HA2 GLY A 172 -12.006 -5.637 2.022 1.00 0.22 H new ATOM 0 HA3 GLY A 172 -10.450 -6.180 1.427 1.00 0.22 H new ATOM 116 N TYR A 173 -9.479 -3.546 1.538 1.00 0.17 N ATOM 117 CA TYR A 173 -8.739 -2.468 2.172 1.00 0.16 C ATOM 118 C TYR A 173 -9.588 -1.204 2.261 1.00 0.16 C ATOM 119 O TYR A 173 -9.505 -0.488 3.245 1.00 0.18 O ATOM 120 CB TYR A 173 -7.426 -2.190 1.440 1.00 0.17 C ATOM 121 CG TYR A 173 -6.525 -1.232 2.187 1.00 0.16 C ATOM 122 CD1 TYR A 173 -6.186 -1.468 3.514 1.00 0.19 C ATOM 123 CD2 TYR A 173 -6.023 -0.091 1.576 1.00 0.17 C ATOM 124 CE1 TYR A 173 -5.378 -0.594 4.211 1.00 0.20 C ATOM 125 CE2 TYR A 173 -5.208 0.787 2.266 1.00 0.20 C ATOM 126 CZ TYR A 173 -4.892 0.531 3.584 1.00 0.19 C ATOM 127 OH TYR A 173 -4.094 1.409 4.278 1.00 0.24 O ATOM 0 H TYR A 173 -9.193 -3.757 0.582 1.00 0.17 H new ATOM 0 HA TYR A 173 -8.494 -2.786 3.185 1.00 0.16 H new ATOM 0 HB2 TYR A 173 -6.897 -3.130 1.284 1.00 0.17 H new ATOM 0 HB3 TYR A 173 -7.646 -1.780 0.454 1.00 0.17 H new ATOM 0 HD1 TYR A 173 -6.562 -2.352 4.008 1.00 0.19 H new ATOM 0 HD2 TYR A 173 -6.273 0.114 0.546 1.00 0.17 H new ATOM 0 HE1 TYR A 173 -5.128 -0.791 5.243 1.00 0.20 H new ATOM 0 HE2 TYR A 173 -4.821 1.668 1.776 1.00 0.20 H new ATOM 0 HH TYR A 173 -3.974 1.086 5.196 1.00 0.24 H new ATOM 137 N ARG A 174 -10.404 -0.929 1.242 1.00 0.18 N ATOM 138 CA ARG A 174 -11.359 0.183 1.294 1.00 0.23 C ATOM 139 C ARG A 174 -12.284 0.043 2.493 1.00 0.23 C ATOM 140 O ARG A 174 -12.584 1.039 3.156 1.00 0.25 O ATOM 141 CB ARG A 174 -12.184 0.286 0.006 1.00 0.31 C ATOM 142 CG ARG A 174 -13.266 1.358 0.074 1.00 0.93 C ATOM 143 CD ARG A 174 -13.904 1.621 -1.282 1.00 0.74 C ATOM 144 NE ARG A 174 -14.663 0.478 -1.794 1.00 1.05 N ATOM 145 CZ ARG A 174 -14.993 0.330 -3.078 1.00 1.35 C ATOM 146 NH1 ARG A 174 -14.534 1.188 -3.984 1.00 1.31 N ATOM 147 NH2 ARG A 174 -15.767 -0.678 -3.460 1.00 2.09 N ATOM 0 H ARG A 174 -10.424 -1.459 0.371 1.00 0.18 H new ATOM 0 HA ARG A 174 -10.779 1.100 1.396 1.00 0.23 H new ATOM 0 HB2 ARG A 174 -11.518 0.503 -0.829 1.00 0.31 H new ATOM 0 HB3 ARG A 174 -12.649 -0.678 -0.199 1.00 0.31 H new ATOM 0 HG2 ARG A 174 -14.036 1.050 0.782 1.00 0.93 H new ATOM 0 HG3 ARG A 174 -12.834 2.283 0.456 1.00 0.93 H new ATOM 0 HD2 ARG A 174 -14.566 2.483 -1.204 1.00 0.74 H new ATOM 0 HD3 ARG A 174 -13.125 1.882 -1.998 1.00 0.74 H new ATOM 0 HE ARG A 174 -14.955 -0.243 -1.134 1.00 1.05 H new ATOM 0 HH11 ARG A 174 -13.930 1.958 -3.697 1.00 1.31 H new ATOM 0 HH12 ARG A 174 -14.786 1.076 -4.966 1.00 1.31 H new ATOM 0 HH21 ARG A 174 -16.113 -1.345 -2.770 1.00 2.09 H new ATOM 0 HH22 ARG A 174 -16.016 -0.786 -4.443 1.00 2.09 H new ATOM 161 N LYS A 175 -12.700 -1.170 2.809 1.00 0.22 N ATOM 162 CA LYS A 175 -13.504 -1.387 4.005 1.00 0.25 C ATOM 163 C LYS A 175 -12.692 -1.047 5.263 1.00 0.24 C ATOM 164 O LYS A 175 -13.256 -0.772 6.322 1.00 0.29 O ATOM 165 CB LYS A 175 -14.028 -2.825 4.047 1.00 0.26 C ATOM 166 CG LYS A 175 -14.859 -3.148 5.274 1.00 0.89 C ATOM 167 CD LYS A 175 -15.343 -4.586 5.248 1.00 0.84 C ATOM 168 CE LYS A 175 -16.162 -4.916 6.481 1.00 1.71 C ATOM 169 NZ LYS A 175 -16.749 -6.275 6.402 1.00 2.34 N ATOM 0 H LYS A 175 -12.500 -2.010 2.266 1.00 0.22 H new ATOM 0 HA LYS A 175 -14.367 -0.722 3.974 1.00 0.25 H new ATOM 0 HB2 LYS A 175 -14.630 -3.007 3.156 1.00 0.26 H new ATOM 0 HB3 LYS A 175 -13.181 -3.510 4.005 1.00 0.26 H new ATOM 0 HG2 LYS A 175 -14.266 -2.978 6.173 1.00 0.89 H new ATOM 0 HG3 LYS A 175 -15.715 -2.475 5.324 1.00 0.89 H new ATOM 0 HD2 LYS A 175 -15.944 -4.753 4.354 1.00 0.84 H new ATOM 0 HD3 LYS A 175 -14.487 -5.259 5.187 1.00 0.84 H new ATOM 0 HE2 LYS A 175 -15.531 -4.843 7.367 1.00 1.71 H new ATOM 0 HE3 LYS A 175 -16.959 -4.181 6.596 1.00 1.71 H new ATOM 0 HZ1 LYS A 175 -17.302 -6.465 7.262 1.00 2.34 H new ATOM 0 HZ2 LYS A 175 -17.370 -6.337 5.570 1.00 2.34 H new ATOM 0 HZ3 LYS A 175 -15.987 -6.978 6.318 1.00 2.34 H new ATOM 183 N GLU A 176 -11.368 -1.037 5.133 1.00 0.20 N ATOM 184 CA GLU A 176 -10.493 -0.668 6.238 1.00 0.18 C ATOM 185 C GLU A 176 -10.081 0.810 6.145 1.00 0.20 C ATOM 186 O GLU A 176 -9.517 1.362 7.086 1.00 0.44 O ATOM 187 CB GLU A 176 -9.234 -1.546 6.259 1.00 0.19 C ATOM 188 CG GLU A 176 -8.506 -1.524 7.595 1.00 0.24 C ATOM 189 CD GLU A 176 -9.269 -2.272 8.675 1.00 0.34 C ATOM 190 OE1 GLU A 176 -9.470 -3.498 8.524 1.00 0.70 O ATOM 191 OE2 GLU A 176 -9.668 -1.646 9.680 1.00 0.69 O ATOM 0 H GLU A 176 -10.879 -1.281 4.272 1.00 0.20 H new ATOM 0 HA GLU A 176 -11.052 -0.824 7.161 1.00 0.18 H new ATOM 0 HB2 GLU A 176 -9.512 -2.573 6.022 1.00 0.19 H new ATOM 0 HB3 GLU A 176 -8.553 -1.211 5.477 1.00 0.19 H new ATOM 0 HG2 GLU A 176 -7.518 -1.969 7.476 1.00 0.24 H new ATOM 0 HG3 GLU A 176 -8.355 -0.491 7.908 1.00 0.24 H new ATOM 198 N GLN A 177 -10.394 1.467 5.026 1.00 0.29 N ATOM 199 CA GLN A 177 -9.926 2.832 4.796 1.00 0.22 C ATOM 200 C GLN A 177 -10.984 3.810 5.252 1.00 0.25 C ATOM 201 O GLN A 177 -10.708 4.733 6.005 1.00 0.25 O ATOM 202 CB GLN A 177 -9.621 3.074 3.318 1.00 0.21 C ATOM 203 CG GLN A 177 -8.469 2.249 2.787 1.00 0.20 C ATOM 204 CD GLN A 177 -8.160 2.545 1.335 1.00 0.22 C ATOM 205 OE1 GLN A 177 -8.708 1.921 0.428 1.00 0.24 O ATOM 206 NE2 GLN A 177 -7.276 3.501 1.102 1.00 0.24 N ATOM 0 H GLN A 177 -10.963 1.080 4.273 1.00 0.29 H new ATOM 0 HA GLN A 177 -9.007 2.976 5.364 1.00 0.22 H new ATOM 0 HB2 GLN A 177 -10.513 2.854 2.732 1.00 0.21 H new ATOM 0 HB3 GLN A 177 -9.396 4.131 3.172 1.00 0.21 H new ATOM 0 HG2 GLN A 177 -7.581 2.441 3.390 1.00 0.20 H new ATOM 0 HG3 GLN A 177 -8.705 1.190 2.896 1.00 0.20 H new ATOM 0 HE21 GLN A 177 -6.843 3.996 1.882 1.00 0.24 H new ATOM 0 HE22 GLN A 177 -7.028 3.743 0.143 1.00 0.24 H new ATOM 215 N GLU A 178 -12.209 3.574 4.810 1.00 0.27 N ATOM 216 CA GLU A 178 -13.336 4.390 5.243 1.00 0.31 C ATOM 217 C GLU A 178 -13.538 4.237 6.750 1.00 0.33 C ATOM 218 O GLU A 178 -14.049 5.127 7.423 1.00 0.36 O ATOM 219 CB GLU A 178 -14.605 3.994 4.485 1.00 0.35 C ATOM 220 CG GLU A 178 -14.972 2.525 4.611 1.00 0.39 C ATOM 221 CD GLU A 178 -16.187 2.165 3.786 1.00 0.46 C ATOM 222 OE1 GLU A 178 -17.304 2.584 4.154 1.00 0.71 O ATOM 223 OE2 GLU A 178 -16.034 1.483 2.755 1.00 0.41 O ATOM 0 H GLU A 178 -12.449 2.829 4.156 1.00 0.27 H new ATOM 0 HA GLU A 178 -13.122 5.436 5.023 1.00 0.31 H new ATOM 0 HB2 GLU A 178 -15.436 4.597 4.850 1.00 0.35 H new ATOM 0 HB3 GLU A 178 -14.475 4.235 3.430 1.00 0.35 H new ATOM 0 HG2 GLU A 178 -14.127 1.913 4.295 1.00 0.39 H new ATOM 0 HG3 GLU A 178 -15.163 2.289 5.658 1.00 0.39 H new ATOM 230 N ARG A 179 -13.103 3.093 7.258 1.00 0.34 N ATOM 231 CA ARG A 179 -13.215 2.751 8.670 1.00 0.40 C ATOM 232 C ARG A 179 -12.234 3.559 9.534 1.00 0.35 C ATOM 233 O ARG A 179 -12.495 3.814 10.711 1.00 0.38 O ATOM 234 CB ARG A 179 -12.926 1.259 8.816 1.00 0.48 C ATOM 235 CG ARG A 179 -13.158 0.690 10.202 1.00 0.65 C ATOM 236 CD ARG A 179 -12.727 -0.766 10.258 1.00 0.83 C ATOM 237 NE ARG A 179 -13.138 -1.420 11.496 1.00 1.03 N ATOM 238 CZ ARG A 179 -12.374 -2.277 12.172 1.00 1.80 C ATOM 239 NH1 ARG A 179 -11.139 -2.550 11.761 1.00 2.15 N ATOM 240 NH2 ARG A 179 -12.848 -2.865 13.261 1.00 2.55 N ATOM 0 H ARG A 179 -12.657 2.368 6.696 1.00 0.34 H new ATOM 0 HA ARG A 179 -14.220 2.992 9.016 1.00 0.40 H new ATOM 0 HB2 ARG A 179 -13.549 0.713 8.107 1.00 0.48 H new ATOM 0 HB3 ARG A 179 -11.889 1.077 8.535 1.00 0.48 H new ATOM 0 HG2 ARG A 179 -12.600 1.269 10.938 1.00 0.65 H new ATOM 0 HG3 ARG A 179 -14.213 0.774 10.464 1.00 0.65 H new ATOM 0 HD2 ARG A 179 -13.152 -1.301 9.409 1.00 0.83 H new ATOM 0 HD3 ARG A 179 -11.643 -0.825 10.161 1.00 0.83 H new ATOM 0 HE ARG A 179 -14.065 -1.209 11.866 1.00 1.03 H new ATOM 0 HH11 ARG A 179 -10.770 -2.102 10.922 1.00 2.15 H new ATOM 0 HH12 ARG A 179 -10.561 -3.207 12.285 1.00 2.15 H new ATOM 0 HH21 ARG A 179 -13.795 -2.661 13.579 1.00 2.55 H new ATOM 0 HH22 ARG A 179 -12.266 -3.522 13.781 1.00 2.55 H new ATOM 254 N LEU A 180 -11.123 3.980 8.940 1.00 0.30 N ATOM 255 CA LEU A 180 -10.016 4.582 9.693 1.00 0.28 C ATOM 256 C LEU A 180 -9.609 5.952 9.146 1.00 0.25 C ATOM 257 O LEU A 180 -8.836 6.671 9.783 1.00 0.24 O ATOM 258 CB LEU A 180 -8.801 3.648 9.669 1.00 0.28 C ATOM 259 CG LEU A 180 -9.015 2.268 10.301 1.00 0.33 C ATOM 260 CD1 LEU A 180 -7.756 1.424 10.167 1.00 0.35 C ATOM 261 CD2 LEU A 180 -9.413 2.404 11.764 1.00 0.38 C ATOM 0 H LEU A 180 -10.960 3.917 7.935 1.00 0.30 H new ATOM 0 HA LEU A 180 -10.367 4.725 10.715 1.00 0.28 H new ATOM 0 HB2 LEU A 180 -8.492 3.510 8.633 1.00 0.28 H new ATOM 0 HB3 LEU A 180 -7.976 4.140 10.185 1.00 0.28 H new ATOM 0 HG LEU A 180 -9.826 1.768 9.771 1.00 0.33 H new ATOM 0 HD11 LEU A 180 -7.923 0.447 10.620 1.00 0.35 H new ATOM 0 HD12 LEU A 180 -7.513 1.298 9.112 1.00 0.35 H new ATOM 0 HD13 LEU A 180 -6.929 1.922 10.673 1.00 0.35 H new ATOM 0 HD21 LEU A 180 -9.560 1.414 12.195 1.00 0.38 H new ATOM 0 HD22 LEU A 180 -8.624 2.923 12.309 1.00 0.38 H new ATOM 0 HD23 LEU A 180 -10.340 2.973 11.838 1.00 0.38 H new ATOM 273 N GLY A 181 -10.108 6.311 7.975 1.00 0.24 N ATOM 274 CA GLY A 181 -9.778 7.602 7.397 1.00 0.22 C ATOM 275 C GLY A 181 -8.594 7.522 6.455 1.00 0.18 C ATOM 276 O GLY A 181 -8.176 8.528 5.883 1.00 0.18 O ATOM 0 H GLY A 181 -10.735 5.735 7.413 1.00 0.24 H new ATOM 0 HA2 GLY A 181 -10.643 7.989 6.858 1.00 0.22 H new ATOM 0 HA3 GLY A 181 -9.557 8.310 8.196 1.00 0.22 H new ATOM 280 N ILE A 182 -8.052 6.318 6.306 1.00 0.17 N ATOM 281 CA ILE A 182 -6.890 6.090 5.455 1.00 0.16 C ATOM 282 C ILE A 182 -7.198 6.470 4.009 1.00 0.15 C ATOM 283 O ILE A 182 -8.119 5.925 3.400 1.00 0.17 O ATOM 284 CB ILE A 182 -6.443 4.613 5.505 1.00 0.17 C ATOM 285 CG1 ILE A 182 -6.201 4.177 6.954 1.00 0.20 C ATOM 286 CG2 ILE A 182 -5.186 4.413 4.664 1.00 0.19 C ATOM 287 CD1 ILE A 182 -5.856 2.709 7.100 1.00 0.22 C ATOM 0 H ILE A 182 -8.402 5.479 6.768 1.00 0.17 H new ATOM 0 HA ILE A 182 -6.083 6.718 5.832 1.00 0.16 H new ATOM 0 HB ILE A 182 -7.237 3.992 5.090 1.00 0.17 H new ATOM 0 HG12 ILE A 182 -5.392 4.775 7.373 1.00 0.20 H new ATOM 0 HG13 ILE A 182 -7.093 4.391 7.542 1.00 0.20 H new ATOM 0 HG21 ILE A 182 -4.881 3.367 4.708 1.00 0.19 H new ATOM 0 HG22 ILE A 182 -5.393 4.688 3.630 1.00 0.19 H new ATOM 0 HG23 ILE A 182 -4.384 5.041 5.053 1.00 0.19 H new ATOM 0 HD11 ILE A 182 -5.699 2.475 8.153 1.00 0.22 H new ATOM 0 HD12 ILE A 182 -6.674 2.103 6.712 1.00 0.22 H new ATOM 0 HD13 ILE A 182 -4.946 2.492 6.540 1.00 0.22 H new ATOM 299 N PRO A 183 -6.434 7.419 3.445 1.00 0.14 N ATOM 300 CA PRO A 183 -6.640 7.876 2.077 1.00 0.15 C ATOM 301 C PRO A 183 -6.250 6.817 1.055 1.00 0.14 C ATOM 302 O PRO A 183 -5.340 6.015 1.275 1.00 0.16 O ATOM 303 CB PRO A 183 -5.728 9.097 1.955 1.00 0.20 C ATOM 304 CG PRO A 183 -4.673 8.896 2.984 1.00 0.24 C ATOM 305 CD PRO A 183 -5.312 8.113 4.099 1.00 0.15 C ATOM 0 HA PRO A 183 -7.689 8.098 1.879 1.00 0.15 H new ATOM 0 HB2 PRO A 183 -5.297 9.169 0.957 1.00 0.20 H new ATOM 0 HB3 PRO A 183 -6.280 10.020 2.131 1.00 0.20 H new ATOM 0 HG2 PRO A 183 -3.822 8.356 2.568 1.00 0.24 H new ATOM 0 HG3 PRO A 183 -4.297 9.853 3.347 1.00 0.24 H new ATOM 0 HD2 PRO A 183 -4.611 7.407 4.545 1.00 0.15 H new ATOM 0 HD3 PRO A 183 -5.658 8.767 4.899 1.00 0.15 H new ATOM 313 N TYR A 184 -6.970 6.821 -0.051 1.00 0.15 N ATOM 314 CA TYR A 184 -6.711 5.922 -1.163 1.00 0.16 C ATOM 315 C TYR A 184 -5.378 6.234 -1.834 1.00 0.16 C ATOM 316 O TYR A 184 -4.710 5.347 -2.358 1.00 0.19 O ATOM 317 CB TYR A 184 -7.825 6.068 -2.186 1.00 0.17 C ATOM 318 CG TYR A 184 -8.741 4.871 -2.290 1.00 0.10 C ATOM 319 CD1 TYR A 184 -8.443 3.805 -3.129 1.00 0.23 C ATOM 320 CD2 TYR A 184 -9.897 4.802 -1.529 1.00 0.30 C ATOM 321 CE1 TYR A 184 -9.277 2.704 -3.200 1.00 0.27 C ATOM 322 CE2 TYR A 184 -10.733 3.712 -1.597 1.00 0.42 C ATOM 323 CZ TYR A 184 -10.428 2.682 -2.535 1.00 0.36 C ATOM 324 OH TYR A 184 -11.254 1.576 -2.484 1.00 0.50 O ATOM 0 H TYR A 184 -7.757 7.452 -0.205 1.00 0.15 H new ATOM 0 HA TYR A 184 -6.670 4.903 -0.777 1.00 0.16 H new ATOM 0 HB2 TYR A 184 -8.421 6.945 -1.933 1.00 0.17 H new ATOM 0 HB3 TYR A 184 -7.381 6.256 -3.164 1.00 0.17 H new ATOM 0 HD1 TYR A 184 -7.549 3.836 -3.734 1.00 0.23 H new ATOM 0 HD2 TYR A 184 -10.146 5.620 -0.870 1.00 0.30 H new ATOM 0 HE1 TYR A 184 -8.990 1.854 -3.801 1.00 0.27 H new ATOM 0 HE2 TYR A 184 -11.599 3.638 -0.956 1.00 0.42 H new ATOM 0 HH TYR A 184 -11.748 1.497 -3.327 1.00 0.50 H new ATOM 334 N ASP A 185 -5.022 7.510 -1.832 1.00 0.16 N ATOM 335 CA ASP A 185 -3.804 7.969 -2.492 1.00 0.17 C ATOM 336 C ASP A 185 -2.608 7.774 -1.569 1.00 0.14 C ATOM 337 O ASP A 185 -2.625 8.211 -0.416 1.00 0.17 O ATOM 338 CB ASP A 185 -3.933 9.447 -2.860 1.00 0.27 C ATOM 339 CG ASP A 185 -2.849 9.924 -3.812 1.00 0.33 C ATOM 340 OD1 ASP A 185 -1.650 9.744 -3.513 1.00 0.58 O ATOM 341 OD2 ASP A 185 -3.200 10.487 -4.872 1.00 0.74 O ATOM 0 H ASP A 185 -5.560 8.250 -1.380 1.00 0.16 H new ATOM 0 HA ASP A 185 -3.655 7.386 -3.401 1.00 0.17 H new ATOM 0 HB2 ASP A 185 -4.908 9.617 -3.316 1.00 0.27 H new ATOM 0 HB3 ASP A 185 -3.897 10.046 -1.950 1.00 0.27 H new ATOM 346 N PRO A 186 -1.556 7.112 -2.079 1.00 0.13 N ATOM 347 CA PRO A 186 -0.352 6.792 -1.307 1.00 0.11 C ATOM 348 C PRO A 186 0.373 8.017 -0.776 1.00 0.12 C ATOM 349 O PRO A 186 0.960 7.973 0.300 1.00 0.13 O ATOM 350 CB PRO A 186 0.547 6.063 -2.310 1.00 0.13 C ATOM 351 CG PRO A 186 0.017 6.436 -3.649 1.00 0.20 C ATOM 352 CD PRO A 186 -1.460 6.613 -3.461 1.00 0.18 C ATOM 0 HA PRO A 186 -0.610 6.209 -0.423 1.00 0.11 H new ATOM 0 HB2 PRO A 186 1.588 6.367 -2.200 1.00 0.13 H new ATOM 0 HB3 PRO A 186 0.512 4.984 -2.159 1.00 0.13 H new ATOM 0 HG2 PRO A 186 0.479 7.354 -4.012 1.00 0.20 H new ATOM 0 HG3 PRO A 186 0.229 5.660 -4.385 1.00 0.20 H new ATOM 0 HD2 PRO A 186 -1.877 7.322 -4.177 1.00 0.18 H new ATOM 0 HD3 PRO A 186 -1.999 5.675 -3.591 1.00 0.18 H new ATOM 360 N ILE A 187 0.334 9.111 -1.521 1.00 0.13 N ATOM 361 CA ILE A 187 1.137 10.274 -1.181 1.00 0.17 C ATOM 362 C ILE A 187 0.596 10.994 0.054 1.00 0.19 C ATOM 363 O ILE A 187 1.346 11.675 0.755 1.00 0.22 O ATOM 364 CB ILE A 187 1.270 11.265 -2.369 1.00 0.25 C ATOM 365 CG1 ILE A 187 2.498 12.160 -2.176 1.00 0.42 C ATOM 366 CG2 ILE A 187 0.021 12.121 -2.514 1.00 0.29 C ATOM 367 CD1 ILE A 187 2.805 13.041 -3.369 1.00 0.55 C ATOM 0 H ILE A 187 -0.240 9.217 -2.358 1.00 0.13 H new ATOM 0 HA ILE A 187 2.134 9.899 -0.949 1.00 0.17 H new ATOM 0 HB ILE A 187 1.391 10.681 -3.282 1.00 0.25 H new ATOM 0 HG12 ILE A 187 2.343 12.791 -1.301 1.00 0.42 H new ATOM 0 HG13 ILE A 187 3.364 11.532 -1.967 1.00 0.42 H new ATOM 0 HG21 ILE A 187 0.144 12.805 -3.354 1.00 0.29 H new ATOM 0 HG22 ILE A 187 -0.842 11.479 -2.692 1.00 0.29 H new ATOM 0 HG23 ILE A 187 -0.136 12.694 -1.600 1.00 0.29 H new ATOM 0 HD11 ILE A 187 3.687 13.645 -3.158 1.00 0.55 H new ATOM 0 HD12 ILE A 187 2.993 12.417 -4.243 1.00 0.55 H new ATOM 0 HD13 ILE A 187 1.956 13.695 -3.566 1.00 0.55 H new ATOM 379 N HIS A 188 -0.692 10.841 0.350 1.00 0.18 N ATOM 380 CA HIS A 188 -1.261 11.515 1.508 1.00 0.20 C ATOM 381 C HIS A 188 -1.261 10.617 2.746 1.00 0.19 C ATOM 382 O HIS A 188 -1.818 10.990 3.780 1.00 0.22 O ATOM 383 CB HIS A 188 -2.685 12.009 1.228 1.00 0.25 C ATOM 384 CG HIS A 188 -2.780 13.028 0.133 1.00 0.32 C ATOM 385 ND1 HIS A 188 -2.650 14.370 0.388 1.00 0.39 N ATOM 386 CD2 HIS A 188 -2.997 12.848 -1.189 1.00 0.42 C ATOM 387 CE1 HIS A 188 -2.788 14.975 -0.779 1.00 0.48 C ATOM 388 NE2 HIS A 188 -3.002 14.092 -1.766 1.00 0.50 N ATOM 0 H HIS A 188 -1.347 10.269 -0.184 1.00 0.18 H new ATOM 0 HA HIS A 188 -0.624 12.377 1.708 1.00 0.20 H new ATOM 0 HB2 HIS A 188 -3.309 11.154 0.968 1.00 0.25 H new ATOM 0 HB3 HIS A 188 -3.095 12.437 2.143 1.00 0.25 H new ATOM 0 HD2 HIS A 188 -3.139 11.904 -1.694 1.00 0.42 H new ATOM 0 HE1 HIS A 188 -2.735 16.044 -0.920 1.00 0.48 H new ATOM 0 HE2 HIS A 188 -3.141 14.305 -2.754 1.00 0.50 H new ATOM 396 N TRP A 189 -0.652 9.434 2.656 1.00 0.18 N ATOM 397 CA TRP A 189 -0.604 8.541 3.814 1.00 0.19 C ATOM 398 C TRP A 189 0.270 9.137 4.914 1.00 0.20 C ATOM 399 O TRP A 189 1.248 9.833 4.643 1.00 0.20 O ATOM 400 CB TRP A 189 -0.021 7.160 3.485 1.00 0.18 C ATOM 401 CG TRP A 189 -0.836 6.269 2.607 1.00 0.15 C ATOM 402 CD1 TRP A 189 -2.192 6.207 2.509 1.00 0.18 C ATOM 403 CD2 TRP A 189 -0.317 5.254 1.739 1.00 0.12 C ATOM 404 NE1 TRP A 189 -2.554 5.240 1.602 1.00 0.15 N ATOM 405 CE2 TRP A 189 -1.417 4.637 1.118 1.00 0.12 C ATOM 406 CE3 TRP A 189 0.977 4.820 1.416 1.00 0.11 C ATOM 407 CZ2 TRP A 189 -1.262 3.604 0.193 1.00 0.12 C ATOM 408 CZ3 TRP A 189 1.131 3.796 0.500 1.00 0.12 C ATOM 409 CH2 TRP A 189 0.017 3.199 -0.102 1.00 0.12 C ATOM 0 H TRP A 189 -0.196 9.078 1.816 1.00 0.18 H new ATOM 0 HA TRP A 189 -1.639 8.427 4.135 1.00 0.19 H new ATOM 0 HB2 TRP A 189 0.949 7.307 3.010 1.00 0.18 H new ATOM 0 HB3 TRP A 189 0.159 6.637 4.424 1.00 0.18 H new ATOM 0 HD1 TRP A 189 -2.882 6.827 3.063 1.00 0.18 H new ATOM 0 HE1 TRP A 189 -3.510 5.008 1.332 1.00 0.15 H new ATOM 0 HE3 TRP A 189 1.840 5.279 1.876 1.00 0.11 H new ATOM 0 HZ2 TRP A 189 -2.117 3.139 -0.275 1.00 0.12 H new ATOM 0 HZ3 TRP A 189 2.123 3.452 0.246 1.00 0.12 H new ATOM 0 HH2 TRP A 189 0.167 2.402 -0.815 1.00 0.12 H new ATOM 420 N SER A 190 -0.091 8.863 6.153 1.00 0.23 N ATOM 421 CA SER A 190 0.791 9.119 7.273 1.00 0.25 C ATOM 422 C SER A 190 1.475 7.813 7.643 1.00 0.25 C ATOM 423 O SER A 190 0.940 6.750 7.340 1.00 0.25 O ATOM 424 CB SER A 190 0.006 9.695 8.452 1.00 0.29 C ATOM 425 OG SER A 190 -0.608 10.923 8.092 1.00 1.18 O ATOM 0 H SER A 190 -0.993 8.461 6.409 1.00 0.23 H new ATOM 0 HA SER A 190 1.545 9.858 7.003 1.00 0.25 H new ATOM 0 HB2 SER A 190 -0.754 8.982 8.772 1.00 0.29 H new ATOM 0 HB3 SER A 190 0.674 9.851 9.299 1.00 0.29 H new ATOM 0 HG SER A 190 -1.107 11.276 8.858 1.00 1.18 H new ATOM 431 N THR A 191 2.636 7.893 8.285 1.00 0.26 N ATOM 432 CA THR A 191 3.490 6.725 8.530 1.00 0.28 C ATOM 433 C THR A 191 2.713 5.516 9.063 1.00 0.25 C ATOM 434 O THR A 191 2.936 4.387 8.622 1.00 0.25 O ATOM 435 CB THR A 191 4.631 7.083 9.500 1.00 0.31 C ATOM 436 OG1 THR A 191 5.356 8.202 8.982 1.00 0.74 O ATOM 437 CG2 THR A 191 5.583 5.911 9.691 1.00 0.62 C ATOM 0 H THR A 191 3.015 8.766 8.652 1.00 0.26 H new ATOM 0 HA THR A 191 3.905 6.439 7.563 1.00 0.28 H new ATOM 0 HB THR A 191 4.194 7.329 10.468 1.00 0.31 H new ATOM 0 HG1 THR A 191 6.083 8.434 9.597 1.00 0.74 H new ATOM 0 HG21 THR A 191 6.377 6.196 10.381 1.00 0.62 H new ATOM 0 HG22 THR A 191 5.036 5.061 10.098 1.00 0.62 H new ATOM 0 HG23 THR A 191 6.019 5.636 8.730 1.00 0.62 H new ATOM 445 N ASP A 192 1.786 5.754 9.984 1.00 0.24 N ATOM 446 CA ASP A 192 0.986 4.670 10.549 1.00 0.24 C ATOM 447 C ASP A 192 0.152 4.010 9.460 1.00 0.23 C ATOM 448 O ASP A 192 0.176 2.798 9.298 1.00 0.25 O ATOM 449 CB ASP A 192 0.054 5.188 11.648 1.00 0.29 C ATOM 450 CG ASP A 192 0.769 6.005 12.699 1.00 1.06 C ATOM 451 OD1 ASP A 192 1.472 5.406 13.542 1.00 1.37 O ATOM 452 OD2 ASP A 192 0.632 7.244 12.689 1.00 1.75 O ATOM 0 H ASP A 192 1.570 6.680 10.354 1.00 0.24 H new ATOM 0 HA ASP A 192 1.672 3.942 10.982 1.00 0.24 H new ATOM 0 HB2 ASP A 192 -0.729 5.796 11.195 1.00 0.29 H new ATOM 0 HB3 ASP A 192 -0.438 4.341 12.127 1.00 0.29 H new ATOM 457 N GLN A 193 -0.570 4.834 8.713 1.00 0.22 N ATOM 458 CA GLN A 193 -1.443 4.377 7.632 1.00 0.21 C ATOM 459 C GLN A 193 -0.648 3.828 6.447 1.00 0.17 C ATOM 460 O GLN A 193 -1.123 2.924 5.760 1.00 0.14 O ATOM 461 CB GLN A 193 -2.364 5.517 7.191 1.00 0.24 C ATOM 462 CG GLN A 193 -3.230 6.051 8.322 1.00 0.30 C ATOM 463 CD GLN A 193 -4.146 7.190 7.908 1.00 0.41 C ATOM 464 OE1 GLN A 193 -5.234 7.353 8.460 1.00 1.34 O ATOM 465 NE2 GLN A 193 -3.716 7.987 6.944 1.00 0.85 N ATOM 0 H GLN A 193 -0.569 5.846 8.838 1.00 0.22 H new ATOM 0 HA GLN A 193 -2.049 3.555 8.013 1.00 0.21 H new ATOM 0 HB2 GLN A 193 -1.760 6.330 6.788 1.00 0.24 H new ATOM 0 HB3 GLN A 193 -3.006 5.166 6.383 1.00 0.24 H new ATOM 0 HG2 GLN A 193 -3.836 5.236 8.719 1.00 0.30 H new ATOM 0 HG3 GLN A 193 -2.584 6.392 9.131 1.00 0.30 H new ATOM 0 HE21 GLN A 193 -2.808 7.819 6.511 1.00 0.85 H new ATOM 0 HE22 GLN A 193 -4.292 8.769 6.634 1.00 0.85 H new ATOM 474 N VAL A 194 0.544 4.354 6.218 1.00 0.16 N ATOM 475 CA VAL A 194 1.455 3.755 5.238 1.00 0.14 C ATOM 476 C VAL A 194 1.638 2.268 5.545 1.00 0.13 C ATOM 477 O VAL A 194 1.563 1.420 4.660 1.00 0.13 O ATOM 478 CB VAL A 194 2.845 4.441 5.243 1.00 0.16 C ATOM 479 CG1 VAL A 194 3.779 3.787 4.237 1.00 0.17 C ATOM 480 CG2 VAL A 194 2.724 5.923 4.946 1.00 0.17 C ATOM 0 H VAL A 194 0.907 5.184 6.687 1.00 0.16 H new ATOM 0 HA VAL A 194 1.009 3.892 4.253 1.00 0.14 H new ATOM 0 HB VAL A 194 3.265 4.320 6.241 1.00 0.16 H new ATOM 0 HG11 VAL A 194 4.747 4.287 4.261 1.00 0.17 H new ATOM 0 HG12 VAL A 194 3.908 2.735 4.491 1.00 0.17 H new ATOM 0 HG13 VAL A 194 3.352 3.870 3.237 1.00 0.17 H new ATOM 0 HG21 VAL A 194 3.714 6.378 4.956 1.00 0.17 H new ATOM 0 HG22 VAL A 194 2.271 6.062 3.964 1.00 0.17 H new ATOM 0 HG23 VAL A 194 2.100 6.396 5.704 1.00 0.17 H new ATOM 490 N LEU A 195 1.831 1.964 6.819 1.00 0.14 N ATOM 491 CA LEU A 195 2.022 0.589 7.269 1.00 0.14 C ATOM 492 C LEU A 195 0.720 -0.056 7.749 1.00 0.12 C ATOM 493 O LEU A 195 0.710 -1.256 8.000 1.00 0.14 O ATOM 494 CB LEU A 195 3.108 0.491 8.339 1.00 0.16 C ATOM 495 CG LEU A 195 4.453 1.119 7.974 1.00 0.18 C ATOM 496 CD1 LEU A 195 5.373 1.113 9.180 1.00 0.23 C ATOM 497 CD2 LEU A 195 5.097 0.381 6.809 1.00 0.18 C ATOM 0 H LEU A 195 1.860 2.656 7.568 1.00 0.14 H new ATOM 0 HA LEU A 195 2.356 0.025 6.398 1.00 0.14 H new ATOM 0 HB2 LEU A 195 2.741 0.966 9.249 1.00 0.16 H new ATOM 0 HB3 LEU A 195 3.270 -0.562 8.572 1.00 0.16 H new ATOM 0 HG LEU A 195 4.281 2.150 7.666 1.00 0.18 H new ATOM 0 HD11 LEU A 195 6.329 1.562 8.911 1.00 0.23 H new ATOM 0 HD12 LEU A 195 4.918 1.686 9.988 1.00 0.23 H new ATOM 0 HD13 LEU A 195 5.535 0.087 9.509 1.00 0.23 H new ATOM 0 HD21 LEU A 195 6.053 0.846 6.567 1.00 0.18 H new ATOM 0 HD22 LEU A 195 5.260 -0.661 7.084 1.00 0.18 H new ATOM 0 HD23 LEU A 195 4.440 0.429 5.940 1.00 0.18 H new ATOM 509 N HIS A 196 -0.378 0.682 7.863 1.00 0.11 N ATOM 510 CA HIS A 196 -1.671 0.003 7.960 1.00 0.10 C ATOM 511 C HIS A 196 -1.897 -0.751 6.660 1.00 0.09 C ATOM 512 O HIS A 196 -2.264 -1.922 6.652 1.00 0.12 O ATOM 513 CB HIS A 196 -2.847 0.957 8.215 1.00 0.13 C ATOM 514 CG HIS A 196 -3.007 1.378 9.645 1.00 0.16 C ATOM 515 ND1 HIS A 196 -3.456 0.497 10.598 1.00 0.30 N ATOM 516 CD2 HIS A 196 -2.799 2.584 10.223 1.00 0.30 C ATOM 517 CE1 HIS A 196 -3.517 1.182 11.726 1.00 0.30 C ATOM 518 NE2 HIS A 196 -3.127 2.451 11.547 1.00 0.28 N ATOM 0 H HIS A 196 -0.407 1.701 7.890 1.00 0.11 H new ATOM 0 HA HIS A 196 -1.636 -0.667 8.819 1.00 0.10 H new ATOM 0 HB2 HIS A 196 -2.716 1.847 7.600 1.00 0.13 H new ATOM 0 HB3 HIS A 196 -3.768 0.475 7.886 1.00 0.13 H new ATOM 0 HD2 HIS A 196 -2.443 3.479 9.735 1.00 0.30 H new ATOM 0 HE1 HIS A 196 -3.840 0.771 12.671 1.00 0.30 H new ATOM 0 HE2 HIS A 196 -3.083 3.179 12.260 1.00 0.28 H new ATOM 526 N TRP A 197 -1.634 -0.048 5.567 1.00 0.10 N ATOM 527 CA TRP A 197 -1.643 -0.636 4.232 1.00 0.09 C ATOM 528 C TRP A 197 -0.651 -1.786 4.134 1.00 0.10 C ATOM 529 O TRP A 197 -1.051 -2.908 3.841 1.00 0.13 O ATOM 530 CB TRP A 197 -1.331 0.435 3.179 1.00 0.09 C ATOM 531 CG TRP A 197 -1.239 -0.078 1.771 1.00 0.07 C ATOM 532 CD1 TRP A 197 -2.258 -0.557 1.003 1.00 0.09 C ATOM 533 CD2 TRP A 197 -0.062 -0.134 0.954 1.00 0.07 C ATOM 534 NE1 TRP A 197 -1.785 -0.933 -0.233 1.00 0.08 N ATOM 535 CE2 TRP A 197 -0.440 -0.677 -0.289 1.00 0.07 C ATOM 536 CE3 TRP A 197 1.277 0.216 1.155 1.00 0.12 C ATOM 537 CZ2 TRP A 197 0.471 -0.875 -1.324 1.00 0.10 C ATOM 538 CZ3 TRP A 197 2.180 0.021 0.127 1.00 0.16 C ATOM 539 CH2 TRP A 197 1.773 -0.519 -1.099 1.00 0.14 C ATOM 0 H TRP A 197 -1.408 0.947 5.579 1.00 0.10 H new ATOM 0 HA TRP A 197 -2.639 -1.036 4.042 1.00 0.09 H new ATOM 0 HB2 TRP A 197 -2.103 1.203 3.222 1.00 0.09 H new ATOM 0 HB3 TRP A 197 -0.388 0.916 3.438 1.00 0.09 H new ATOM 0 HD1 TRP A 197 -3.288 -0.631 1.319 1.00 0.09 H new ATOM 0 HE1 TRP A 197 -2.344 -1.336 -0.985 1.00 0.08 H new ATOM 0 HE3 TRP A 197 1.600 0.632 2.098 1.00 0.12 H new ATOM 0 HZ2 TRP A 197 0.161 -1.294 -2.270 1.00 0.10 H new ATOM 0 HZ3 TRP A 197 3.216 0.289 0.272 1.00 0.16 H new ATOM 0 HH2 TRP A 197 2.502 -0.657 -1.884 1.00 0.14 H new ATOM 550 N VAL A 198 0.628 -1.537 4.390 1.00 0.10 N ATOM 551 CA VAL A 198 1.630 -2.587 4.250 1.00 0.12 C ATOM 552 C VAL A 198 1.325 -3.803 5.140 1.00 0.13 C ATOM 553 O VAL A 198 1.506 -4.926 4.694 1.00 0.15 O ATOM 554 CB VAL A 198 3.066 -2.067 4.498 1.00 0.14 C ATOM 555 CG1 VAL A 198 4.090 -3.154 4.237 1.00 0.23 C ATOM 556 CG2 VAL A 198 3.363 -0.860 3.629 1.00 0.13 C ATOM 0 H VAL A 198 0.992 -0.633 4.691 1.00 0.10 H new ATOM 0 HA VAL A 198 1.577 -2.917 3.212 1.00 0.12 H new ATOM 0 HB VAL A 198 3.132 -1.770 5.545 1.00 0.14 H new ATOM 0 HG11 VAL A 198 5.091 -2.762 4.419 1.00 0.23 H new ATOM 0 HG12 VAL A 198 3.904 -3.997 4.903 1.00 0.23 H new ATOM 0 HG13 VAL A 198 4.013 -3.486 3.202 1.00 0.23 H new ATOM 0 HG21 VAL A 198 4.378 -0.514 3.822 1.00 0.13 H new ATOM 0 HG22 VAL A 198 3.267 -1.135 2.579 1.00 0.13 H new ATOM 0 HG23 VAL A 198 2.657 -0.062 3.861 1.00 0.13 H new ATOM 566 N VAL A 199 0.824 -3.608 6.358 1.00 0.13 N ATOM 567 CA VAL A 199 0.479 -4.750 7.218 1.00 0.14 C ATOM 568 C VAL A 199 -0.788 -5.471 6.726 1.00 0.13 C ATOM 569 O VAL A 199 -0.778 -6.681 6.496 1.00 0.15 O ATOM 570 CB VAL A 199 0.302 -4.324 8.693 1.00 0.18 C ATOM 571 CG1 VAL A 199 -0.280 -5.459 9.526 1.00 0.21 C ATOM 572 CG2 VAL A 199 1.633 -3.874 9.280 1.00 0.20 C ATOM 0 H VAL A 199 0.649 -2.692 6.770 1.00 0.13 H new ATOM 0 HA VAL A 199 1.317 -5.445 7.159 1.00 0.14 H new ATOM 0 HB VAL A 199 -0.397 -3.488 8.718 1.00 0.18 H new ATOM 0 HG11 VAL A 199 -0.394 -5.131 10.559 1.00 0.21 H new ATOM 0 HG12 VAL A 199 -1.254 -5.742 9.126 1.00 0.21 H new ATOM 0 HG13 VAL A 199 0.390 -6.318 9.490 1.00 0.21 H new ATOM 0 HG21 VAL A 199 1.491 -3.577 10.319 1.00 0.20 H new ATOM 0 HG22 VAL A 199 2.348 -4.695 9.232 1.00 0.20 H new ATOM 0 HG23 VAL A 199 2.014 -3.027 8.710 1.00 0.20 H new ATOM 582 N TRP A 200 -1.862 -4.715 6.559 1.00 0.13 N ATOM 583 CA TRP A 200 -3.143 -5.260 6.096 1.00 0.13 C ATOM 584 C TRP A 200 -2.984 -5.938 4.735 1.00 0.13 C ATOM 585 O TRP A 200 -3.416 -7.073 4.541 1.00 0.13 O ATOM 586 CB TRP A 200 -4.183 -4.132 6.010 1.00 0.14 C ATOM 587 CG TRP A 200 -5.606 -4.581 5.838 1.00 0.14 C ATOM 588 CD1 TRP A 200 -6.609 -4.469 6.755 1.00 0.15 C ATOM 589 CD2 TRP A 200 -6.192 -5.200 4.682 1.00 0.13 C ATOM 590 NE1 TRP A 200 -7.777 -4.975 6.244 1.00 0.16 N ATOM 591 CE2 TRP A 200 -7.545 -5.434 4.977 1.00 0.15 C ATOM 592 CE3 TRP A 200 -5.702 -5.581 3.432 1.00 0.13 C ATOM 593 CZ2 TRP A 200 -8.411 -6.029 4.066 1.00 0.15 C ATOM 594 CZ3 TRP A 200 -6.555 -6.174 2.532 1.00 0.14 C ATOM 595 CH2 TRP A 200 -7.900 -6.395 2.849 1.00 0.15 C ATOM 0 H TRP A 200 -1.878 -3.711 6.738 1.00 0.13 H new ATOM 0 HA TRP A 200 -3.483 -6.010 6.810 1.00 0.13 H new ATOM 0 HB2 TRP A 200 -4.117 -3.530 6.916 1.00 0.14 H new ATOM 0 HB3 TRP A 200 -3.921 -3.482 5.175 1.00 0.14 H new ATOM 0 HD1 TRP A 200 -6.500 -4.043 7.741 1.00 0.15 H new ATOM 0 HE1 TRP A 200 -8.673 -5.004 6.730 1.00 0.16 H new ATOM 0 HE3 TRP A 200 -4.667 -5.412 3.175 1.00 0.13 H new ATOM 0 HZ2 TRP A 200 -9.450 -6.197 4.309 1.00 0.15 H new ATOM 0 HZ3 TRP A 200 -6.181 -6.474 1.564 1.00 0.14 H new ATOM 0 HH2 TRP A 200 -8.547 -6.862 2.121 1.00 0.15 H new ATOM 606 N VAL A 201 -2.369 -5.258 3.806 1.00 0.14 N ATOM 607 CA VAL A 201 -2.265 -5.775 2.453 1.00 0.16 C ATOM 608 C VAL A 201 -1.187 -6.856 2.323 1.00 0.16 C ATOM 609 O VAL A 201 -1.351 -7.772 1.524 1.00 0.18 O ATOM 610 CB VAL A 201 -2.081 -4.648 1.423 1.00 0.20 C ATOM 611 CG1 VAL A 201 -2.074 -5.196 0.008 1.00 0.26 C ATOM 612 CG2 VAL A 201 -3.187 -3.619 1.583 1.00 0.22 C ATOM 0 H VAL A 201 -1.932 -4.348 3.952 1.00 0.14 H new ATOM 0 HA VAL A 201 -3.215 -6.260 2.229 1.00 0.16 H new ATOM 0 HB VAL A 201 -1.117 -4.172 1.603 1.00 0.20 H new ATOM 0 HG11 VAL A 201 -1.942 -4.377 -0.699 1.00 0.26 H new ATOM 0 HG12 VAL A 201 -1.255 -5.906 -0.103 1.00 0.26 H new ATOM 0 HG13 VAL A 201 -3.020 -5.699 -0.192 1.00 0.26 H new ATOM 0 HG21 VAL A 201 -3.052 -2.823 0.851 1.00 0.22 H new ATOM 0 HG22 VAL A 201 -4.154 -4.097 1.425 1.00 0.22 H new ATOM 0 HG23 VAL A 201 -3.150 -3.198 2.588 1.00 0.22 H new ATOM 622 N MET A 202 -0.129 -6.821 3.124 1.00 0.17 N ATOM 623 CA MET A 202 0.801 -7.961 3.115 1.00 0.20 C ATOM 624 C MET A 202 0.077 -9.205 3.641 1.00 0.19 C ATOM 625 O MET A 202 0.438 -10.334 3.322 1.00 0.22 O ATOM 626 CB MET A 202 2.076 -7.713 3.935 1.00 0.23 C ATOM 627 CG MET A 202 1.867 -7.762 5.441 1.00 0.23 C ATOM 628 SD MET A 202 3.414 -7.817 6.374 1.00 0.40 S ATOM 629 CE MET A 202 4.199 -6.301 5.846 1.00 0.56 C ATOM 0 H MET A 202 0.107 -6.060 3.761 1.00 0.17 H new ATOM 0 HA MET A 202 1.122 -8.106 2.083 1.00 0.20 H new ATOM 0 HB2 MET A 202 2.823 -8.457 3.659 1.00 0.23 H new ATOM 0 HB3 MET A 202 2.483 -6.738 3.667 1.00 0.23 H new ATOM 0 HG2 MET A 202 1.295 -6.887 5.750 1.00 0.23 H new ATOM 0 HG3 MET A 202 1.269 -8.639 5.690 1.00 0.23 H new ATOM 0 HE1 MET A 202 5.225 -6.276 6.212 1.00 0.56 H new ATOM 0 HE2 MET A 202 4.201 -6.252 4.757 1.00 0.56 H new ATOM 0 HE3 MET A 202 3.650 -5.449 6.246 1.00 0.56 H new ATOM 639 N LYS A 203 -0.964 -8.973 4.431 1.00 0.16 N ATOM 640 CA LYS A 203 -1.808 -10.039 4.964 1.00 0.18 C ATOM 641 C LYS A 203 -2.620 -10.739 3.871 1.00 0.18 C ATOM 642 O LYS A 203 -2.652 -11.968 3.838 1.00 0.20 O ATOM 643 CB LYS A 203 -2.746 -9.466 6.032 1.00 0.19 C ATOM 644 CG LYS A 203 -3.788 -10.448 6.534 1.00 0.36 C ATOM 645 CD LYS A 203 -4.527 -9.896 7.741 1.00 0.82 C ATOM 646 CE LYS A 203 -5.422 -10.946 8.382 1.00 1.61 C ATOM 647 NZ LYS A 203 -4.639 -12.072 8.962 1.00 2.35 N ATOM 0 H LYS A 203 -1.249 -8.038 4.722 1.00 0.16 H new ATOM 0 HA LYS A 203 -1.153 -10.789 5.407 1.00 0.18 H new ATOM 0 HB2 LYS A 203 -2.150 -9.122 6.877 1.00 0.19 H new ATOM 0 HB3 LYS A 203 -3.253 -8.592 5.623 1.00 0.19 H new ATOM 0 HG2 LYS A 203 -4.499 -10.666 5.737 1.00 0.36 H new ATOM 0 HG3 LYS A 203 -3.307 -11.390 6.798 1.00 0.36 H new ATOM 0 HD2 LYS A 203 -3.806 -9.535 8.475 1.00 0.82 H new ATOM 0 HD3 LYS A 203 -5.130 -9.040 7.438 1.00 0.82 H new ATOM 0 HE2 LYS A 203 -6.022 -10.481 9.165 1.00 1.61 H new ATOM 0 HE3 LYS A 203 -6.116 -11.334 7.636 1.00 1.61 H new ATOM 0 HZ1 LYS A 203 -5.242 -12.615 9.612 1.00 2.35 H new ATOM 0 HZ2 LYS A 203 -4.306 -12.693 8.197 1.00 2.35 H new ATOM 0 HZ3 LYS A 203 -3.821 -11.695 9.482 1.00 2.35 H new ATOM 661 N GLU A 204 -3.261 -9.986 2.973 1.00 0.18 N ATOM 662 CA GLU A 204 -4.187 -10.571 1.992 1.00 0.18 C ATOM 663 C GLU A 204 -3.502 -11.619 1.101 1.00 0.23 C ATOM 664 O GLU A 204 -4.152 -12.524 0.582 1.00 0.47 O ATOM 665 CB GLU A 204 -4.807 -9.463 1.126 1.00 0.23 C ATOM 666 CG GLU A 204 -6.089 -9.888 0.422 1.00 0.42 C ATOM 667 CD GLU A 204 -7.147 -10.358 1.400 1.00 0.93 C ATOM 668 OE1 GLU A 204 -7.778 -9.505 2.056 1.00 1.72 O ATOM 669 OE2 GLU A 204 -7.334 -11.582 1.538 1.00 1.45 O ATOM 0 H GLU A 204 -3.158 -8.974 2.903 1.00 0.18 H new ATOM 0 HA GLU A 204 -4.973 -11.082 2.549 1.00 0.18 H new ATOM 0 HB2 GLU A 204 -5.017 -8.597 1.754 1.00 0.23 H new ATOM 0 HB3 GLU A 204 -4.079 -9.147 0.379 1.00 0.23 H new ATOM 0 HG2 GLU A 204 -6.478 -9.051 -0.158 1.00 0.42 H new ATOM 0 HG3 GLU A 204 -5.867 -10.689 -0.283 1.00 0.42 H new ATOM 676 N PHE A 205 -2.193 -11.497 0.934 1.00 0.18 N ATOM 677 CA PHE A 205 -1.431 -12.432 0.097 1.00 0.19 C ATOM 678 C PHE A 205 -0.367 -13.158 0.908 1.00 0.22 C ATOM 679 O PHE A 205 0.524 -13.797 0.347 1.00 0.25 O ATOM 680 CB PHE A 205 -0.754 -11.711 -1.069 1.00 0.19 C ATOM 681 CG PHE A 205 -1.399 -10.415 -1.441 1.00 0.18 C ATOM 682 CD1 PHE A 205 -2.564 -10.379 -2.189 1.00 0.24 C ATOM 683 CD2 PHE A 205 -0.826 -9.230 -1.041 1.00 0.21 C ATOM 684 CE1 PHE A 205 -3.144 -9.172 -2.529 1.00 0.29 C ATOM 685 CE2 PHE A 205 -1.393 -8.024 -1.374 1.00 0.25 C ATOM 686 CZ PHE A 205 -2.556 -7.989 -2.121 1.00 0.29 C ATOM 0 H PHE A 205 -1.631 -10.763 1.364 1.00 0.18 H new ATOM 0 HA PHE A 205 -2.146 -13.157 -0.293 1.00 0.19 H new ATOM 0 HB2 PHE A 205 0.289 -11.525 -0.811 1.00 0.19 H new ATOM 0 HB3 PHE A 205 -0.755 -12.368 -1.939 1.00 0.19 H new ATOM 0 HD1 PHE A 205 -3.023 -11.303 -2.509 1.00 0.24 H new ATOM 0 HD2 PHE A 205 0.082 -9.248 -0.457 1.00 0.21 H new ATOM 0 HE1 PHE A 205 -4.053 -9.153 -3.111 1.00 0.29 H new ATOM 0 HE2 PHE A 205 -0.930 -7.103 -1.052 1.00 0.25 H new ATOM 0 HZ PHE A 205 -3.003 -7.042 -2.385 1.00 0.29 H new ATOM 696 N SER A 206 -0.483 -13.063 2.227 1.00 0.21 N ATOM 697 CA SER A 206 0.393 -13.788 3.146 1.00 0.23 C ATOM 698 C SER A 206 1.870 -13.493 2.869 1.00 0.24 C ATOM 699 O SER A 206 2.706 -14.395 2.839 1.00 0.28 O ATOM 700 CB SER A 206 0.125 -15.296 3.068 1.00 0.26 C ATOM 701 OG SER A 206 -1.260 -15.581 3.205 1.00 1.14 O ATOM 0 H SER A 206 -1.183 -12.484 2.691 1.00 0.21 H new ATOM 0 HA SER A 206 0.169 -13.442 4.155 1.00 0.23 H new ATOM 0 HB2 SER A 206 0.486 -15.683 2.115 1.00 0.26 H new ATOM 0 HB3 SER A 206 0.683 -15.808 3.852 1.00 0.26 H new ATOM 0 HG SER A 206 -1.402 -16.549 3.150 1.00 1.14 H new ATOM 707 N MET A 207 2.182 -12.209 2.691 1.00 0.25 N ATOM 708 CA MET A 207 3.556 -11.753 2.513 1.00 0.27 C ATOM 709 C MET A 207 4.103 -11.215 3.822 1.00 0.52 C ATOM 710 O MET A 207 5.134 -10.544 3.832 1.00 1.36 O ATOM 711 CB MET A 207 3.661 -10.648 1.460 1.00 0.32 C ATOM 712 CG MET A 207 3.128 -11.008 0.083 1.00 0.52 C ATOM 713 SD MET A 207 3.868 -9.988 -1.209 1.00 0.95 S ATOM 714 CE MET A 207 3.710 -8.352 -0.487 1.00 0.94 C ATOM 0 H MET A 207 1.490 -11.460 2.667 1.00 0.25 H new ATOM 0 HA MET A 207 4.134 -12.614 2.179 1.00 0.27 H new ATOM 0 HB2 MET A 207 3.123 -9.772 1.822 1.00 0.32 H new ATOM 0 HB3 MET A 207 4.708 -10.361 1.362 1.00 0.32 H new ATOM 0 HG2 MET A 207 3.331 -12.059 -0.122 1.00 0.52 H new ATOM 0 HG3 MET A 207 2.045 -10.884 0.068 1.00 0.52 H new ATOM 0 HE1 MET A 207 3.941 -7.598 -1.240 1.00 0.94 H new ATOM 0 HE2 MET A 207 2.690 -8.209 -0.131 1.00 0.94 H new ATOM 0 HE3 MET A 207 4.403 -8.254 0.348 1.00 0.94 H new ATOM 724 N THR A 208 3.382 -11.477 4.908 1.00 0.86 N ATOM 725 CA THR A 208 3.709 -10.934 6.225 1.00 1.02 C ATOM 726 C THR A 208 5.179 -11.160 6.604 1.00 1.04 C ATOM 727 O THR A 208 5.544 -12.198 7.159 1.00 1.71 O ATOM 728 CB THR A 208 2.764 -11.505 7.314 1.00 1.53 C ATOM 729 OG1 THR A 208 3.180 -11.076 8.618 1.00 2.11 O ATOM 730 CG2 THR A 208 2.697 -13.027 7.265 1.00 1.72 C ATOM 0 H THR A 208 2.554 -12.072 4.901 1.00 0.86 H new ATOM 0 HA THR A 208 3.557 -9.856 6.167 1.00 1.02 H new ATOM 0 HB THR A 208 1.765 -11.118 7.110 1.00 1.53 H new ATOM 0 HG1 THR A 208 2.572 -11.444 9.293 1.00 2.11 H new ATOM 0 HG21 THR A 208 2.025 -13.387 8.044 1.00 1.72 H new ATOM 0 HG22 THR A 208 2.326 -13.344 6.290 1.00 1.72 H new ATOM 0 HG23 THR A 208 3.693 -13.440 7.426 1.00 1.72 H new ATOM 738 N ASP A 209 6.006 -10.150 6.309 1.00 0.83 N ATOM 739 CA ASP A 209 7.457 -10.223 6.503 1.00 0.85 C ATOM 740 C ASP A 209 8.162 -9.041 5.840 1.00 0.70 C ATOM 741 O ASP A 209 9.259 -8.662 6.252 1.00 1.04 O ATOM 742 CB ASP A 209 8.030 -11.528 5.935 1.00 1.19 C ATOM 743 CG ASP A 209 9.529 -11.646 6.135 1.00 1.50 C ATOM 744 OD1 ASP A 209 9.961 -11.968 7.261 1.00 1.94 O ATOM 745 OD2 ASP A 209 10.281 -11.424 5.166 1.00 1.88 O ATOM 0 H ASP A 209 5.687 -9.259 5.929 1.00 0.83 H new ATOM 0 HA ASP A 209 7.635 -10.192 7.578 1.00 0.85 H new ATOM 0 HB2 ASP A 209 7.536 -12.375 6.412 1.00 1.19 H new ATOM 0 HB3 ASP A 209 7.804 -11.586 4.870 1.00 1.19 H new ATOM 750 N ILE A 210 7.532 -8.465 4.808 1.00 0.53 N ATOM 751 CA ILE A 210 8.130 -7.359 4.050 1.00 0.40 C ATOM 752 C ILE A 210 8.576 -6.222 4.982 1.00 0.36 C ATOM 753 O ILE A 210 7.985 -6.001 6.042 1.00 0.47 O ATOM 754 CB ILE A 210 7.182 -6.805 2.935 1.00 0.34 C ATOM 755 CG1 ILE A 210 6.876 -5.326 3.158 1.00 0.44 C ATOM 756 CG2 ILE A 210 5.880 -7.599 2.845 1.00 0.42 C ATOM 757 CD1 ILE A 210 6.559 -4.581 1.886 1.00 0.65 C ATOM 0 H ILE A 210 6.609 -8.747 4.479 1.00 0.53 H new ATOM 0 HA ILE A 210 9.007 -7.772 3.552 1.00 0.40 H new ATOM 0 HB ILE A 210 7.711 -6.917 1.989 1.00 0.34 H new ATOM 0 HG12 ILE A 210 6.032 -5.236 3.842 1.00 0.44 H new ATOM 0 HG13 ILE A 210 7.731 -4.855 3.643 1.00 0.44 H new ATOM 0 HG21 ILE A 210 5.252 -7.180 2.059 1.00 0.42 H new ATOM 0 HG22 ILE A 210 6.104 -8.640 2.614 1.00 0.42 H new ATOM 0 HG23 ILE A 210 5.353 -7.544 3.798 1.00 0.42 H new ATOM 0 HD11 ILE A 210 6.352 -3.536 2.118 1.00 0.65 H new ATOM 0 HD12 ILE A 210 7.410 -4.640 1.208 1.00 0.65 H new ATOM 0 HD13 ILE A 210 5.685 -5.027 1.411 1.00 0.65 H new ATOM 769 N ASP A 211 9.636 -5.529 4.566 1.00 0.28 N ATOM 770 CA ASP A 211 10.272 -4.472 5.356 1.00 0.28 C ATOM 771 C ASP A 211 9.297 -3.381 5.780 1.00 0.27 C ATOM 772 O ASP A 211 9.023 -2.450 5.022 1.00 0.33 O ATOM 773 CB ASP A 211 11.415 -3.835 4.558 1.00 0.34 C ATOM 774 CG ASP A 211 12.635 -4.728 4.452 1.00 0.65 C ATOM 775 OD1 ASP A 211 12.586 -5.727 3.701 1.00 0.91 O ATOM 776 OD2 ASP A 211 13.650 -4.430 5.121 1.00 0.88 O ATOM 0 H ASP A 211 10.082 -5.686 3.662 1.00 0.28 H new ATOM 0 HA ASP A 211 10.652 -4.947 6.261 1.00 0.28 H new ATOM 0 HB2 ASP A 211 11.060 -3.594 3.556 1.00 0.34 H new ATOM 0 HB3 ASP A 211 11.700 -2.895 5.030 1.00 0.34 H new ATOM 781 N LEU A 212 8.786 -3.497 6.999 1.00 0.30 N ATOM 782 CA LEU A 212 7.961 -2.454 7.591 1.00 0.36 C ATOM 783 C LEU A 212 8.832 -1.290 8.046 1.00 0.42 C ATOM 784 O LEU A 212 8.505 -0.125 7.828 1.00 0.56 O ATOM 785 CB LEU A 212 7.181 -3.007 8.788 1.00 0.43 C ATOM 786 CG LEU A 212 6.091 -4.024 8.446 1.00 0.48 C ATOM 787 CD1 LEU A 212 5.541 -4.662 9.713 1.00 0.56 C ATOM 788 CD2 LEU A 212 4.975 -3.352 7.666 1.00 0.52 C ATOM 0 H LEU A 212 8.930 -4.309 7.600 1.00 0.30 H new ATOM 0 HA LEU A 212 7.256 -2.103 6.837 1.00 0.36 H new ATOM 0 HB2 LEU A 212 7.886 -3.473 9.476 1.00 0.43 H new ATOM 0 HB3 LEU A 212 6.722 -2.172 9.318 1.00 0.43 H new ATOM 0 HG LEU A 212 6.528 -4.808 7.828 1.00 0.48 H new ATOM 0 HD11 LEU A 212 4.767 -5.383 9.451 1.00 0.56 H new ATOM 0 HD12 LEU A 212 6.346 -5.171 10.243 1.00 0.56 H new ATOM 0 HD13 LEU A 212 5.116 -3.890 10.354 1.00 0.56 H new ATOM 0 HD21 LEU A 212 4.205 -4.086 7.428 1.00 0.52 H new ATOM 0 HD22 LEU A 212 4.542 -2.552 8.267 1.00 0.52 H new ATOM 0 HD23 LEU A 212 5.377 -2.935 6.742 1.00 0.52 H new ATOM 800 N THR A 213 9.960 -1.626 8.658 1.00 0.44 N ATOM 801 CA THR A 213 10.868 -0.637 9.217 1.00 0.51 C ATOM 802 C THR A 213 11.532 0.201 8.128 1.00 0.46 C ATOM 803 O THR A 213 11.773 1.393 8.302 1.00 0.52 O ATOM 804 CB THR A 213 11.947 -1.330 10.064 1.00 0.71 C ATOM 805 OG1 THR A 213 12.433 -2.480 9.363 1.00 1.56 O ATOM 806 CG2 THR A 213 11.389 -1.750 11.413 1.00 1.34 C ATOM 0 H THR A 213 10.270 -2.590 8.780 1.00 0.44 H new ATOM 0 HA THR A 213 10.279 0.031 9.845 1.00 0.51 H new ATOM 0 HB THR A 213 12.763 -0.627 10.235 1.00 0.71 H new ATOM 0 HG1 THR A 213 13.123 -2.923 9.900 1.00 1.56 H new ATOM 0 HG21 THR A 213 12.171 -2.238 11.994 1.00 1.34 H new ATOM 0 HG22 THR A 213 11.034 -0.870 11.950 1.00 1.34 H new ATOM 0 HG23 THR A 213 10.561 -2.443 11.264 1.00 1.34 H new ATOM 814 N THR A 214 11.808 -0.423 6.993 1.00 0.45 N ATOM 815 CA THR A 214 12.437 0.274 5.884 1.00 0.47 C ATOM 816 C THR A 214 11.428 1.176 5.165 1.00 0.42 C ATOM 817 O THR A 214 11.789 1.986 4.307 1.00 0.60 O ATOM 818 CB THR A 214 13.062 -0.729 4.900 1.00 0.57 C ATOM 819 OG1 THR A 214 13.765 -1.740 5.638 1.00 1.18 O ATOM 820 CG2 THR A 214 14.034 -0.032 3.964 1.00 0.40 C ATOM 0 H THR A 214 11.607 -1.407 6.817 1.00 0.45 H new ATOM 0 HA THR A 214 13.231 0.904 6.285 1.00 0.47 H new ATOM 0 HB THR A 214 12.265 -1.178 4.307 1.00 0.57 H new ATOM 0 HG1 THR A 214 13.690 -2.598 5.170 1.00 1.18 H new ATOM 0 HG21 THR A 214 14.464 -0.761 3.277 1.00 0.40 H new ATOM 0 HG22 THR A 214 13.506 0.734 3.396 1.00 0.40 H new ATOM 0 HG23 THR A 214 14.831 0.432 4.546 1.00 0.40 H new ATOM 828 N LEU A 215 10.161 1.036 5.534 1.00 0.30 N ATOM 829 CA LEU A 215 9.108 1.888 5.006 1.00 0.27 C ATOM 830 C LEU A 215 8.540 2.767 6.117 1.00 0.25 C ATOM 831 O LEU A 215 7.392 3.206 6.052 1.00 0.29 O ATOM 832 CB LEU A 215 7.996 1.050 4.363 1.00 0.25 C ATOM 833 CG LEU A 215 8.395 0.287 3.102 1.00 0.23 C ATOM 834 CD1 LEU A 215 7.225 -0.545 2.605 1.00 0.25 C ATOM 835 CD2 LEU A 215 8.869 1.246 2.022 1.00 0.24 C ATOM 0 H LEU A 215 9.838 0.335 6.201 1.00 0.30 H new ATOM 0 HA LEU A 215 9.536 2.527 4.234 1.00 0.27 H new ATOM 0 HB2 LEU A 215 7.632 0.334 5.100 1.00 0.25 H new ATOM 0 HB3 LEU A 215 7.163 1.709 4.120 1.00 0.25 H new ATOM 0 HG LEU A 215 9.221 -0.382 3.345 1.00 0.23 H new ATOM 0 HD11 LEU A 215 7.519 -1.086 1.705 1.00 0.25 H new ATOM 0 HD12 LEU A 215 6.931 -1.257 3.376 1.00 0.25 H new ATOM 0 HD13 LEU A 215 6.384 0.110 2.376 1.00 0.25 H new ATOM 0 HD21 LEU A 215 9.149 0.682 1.132 1.00 0.24 H new ATOM 0 HD22 LEU A 215 8.066 1.941 1.774 1.00 0.24 H new ATOM 0 HD23 LEU A 215 9.733 1.804 2.384 1.00 0.24 H new ATOM 847 N ASN A 216 9.358 3.021 7.139 1.00 0.24 N ATOM 848 CA ASN A 216 8.980 3.921 8.229 1.00 0.26 C ATOM 849 C ASN A 216 9.073 5.376 7.778 1.00 0.22 C ATOM 850 O ASN A 216 9.833 6.169 8.334 1.00 0.29 O ATOM 851 CB ASN A 216 9.865 3.708 9.467 1.00 0.34 C ATOM 852 CG ASN A 216 9.401 2.566 10.358 1.00 0.69 C ATOM 853 OD1 ASN A 216 10.206 1.928 11.039 1.00 1.34 O ATOM 854 ND2 ASN A 216 8.103 2.309 10.373 1.00 0.64 N ATOM 0 H ASN A 216 10.289 2.615 7.235 1.00 0.24 H new ATOM 0 HA ASN A 216 7.949 3.691 8.499 1.00 0.26 H new ATOM 0 HB2 ASN A 216 10.887 3.513 9.143 1.00 0.34 H new ATOM 0 HB3 ASN A 216 9.886 4.628 10.051 1.00 0.34 H new ATOM 0 HD21 ASN A 216 7.738 1.561 10.962 1.00 0.64 H new ATOM 0 HD22 ASN A 216 7.467 2.859 9.795 1.00 0.64 H new ATOM 861 N ILE A 217 8.301 5.707 6.757 1.00 0.19 N ATOM 862 CA ILE A 217 8.253 7.052 6.212 1.00 0.19 C ATOM 863 C ILE A 217 6.807 7.464 5.993 1.00 0.18 C ATOM 864 O ILE A 217 5.891 6.698 6.291 1.00 0.19 O ATOM 865 CB ILE A 217 9.025 7.160 4.875 1.00 0.20 C ATOM 866 CG1 ILE A 217 8.690 5.975 3.959 1.00 0.27 C ATOM 867 CG2 ILE A 217 10.522 7.240 5.130 1.00 0.32 C ATOM 868 CD1 ILE A 217 9.288 6.085 2.574 1.00 0.89 C ATOM 0 H ILE A 217 7.687 5.046 6.281 1.00 0.19 H new ATOM 0 HA ILE A 217 8.730 7.718 6.931 1.00 0.19 H new ATOM 0 HB ILE A 217 8.715 8.075 4.371 1.00 0.20 H new ATOM 0 HG12 ILE A 217 9.044 5.056 4.426 1.00 0.27 H new ATOM 0 HG13 ILE A 217 7.607 5.891 3.871 1.00 0.27 H new ATOM 0 HG21 ILE A 217 11.050 7.315 4.179 1.00 0.32 H new ATOM 0 HG22 ILE A 217 10.741 8.118 5.737 1.00 0.32 H new ATOM 0 HG23 ILE A 217 10.850 6.344 5.657 1.00 0.32 H new ATOM 0 HD11 ILE A 217 9.007 5.211 1.986 1.00 0.89 H new ATOM 0 HD12 ILE A 217 8.914 6.986 2.087 1.00 0.89 H new ATOM 0 HD13 ILE A 217 10.374 6.138 2.650 1.00 0.89 H new ATOM 880 N SER A 218 6.592 8.668 5.497 1.00 0.19 N ATOM 881 CA SER A 218 5.245 9.126 5.223 1.00 0.20 C ATOM 882 C SER A 218 4.858 8.836 3.777 1.00 0.20 C ATOM 883 O SER A 218 5.694 8.397 2.981 1.00 0.21 O ATOM 884 CB SER A 218 5.114 10.612 5.543 1.00 0.23 C ATOM 885 OG SER A 218 6.239 11.327 5.059 1.00 1.10 O ATOM 0 H SER A 218 7.327 9.341 5.277 1.00 0.19 H new ATOM 0 HA SER A 218 4.555 8.579 5.866 1.00 0.20 H new ATOM 0 HB2 SER A 218 4.204 11.008 5.093 1.00 0.23 H new ATOM 0 HB3 SER A 218 5.024 10.751 6.620 1.00 0.23 H new ATOM 0 HG SER A 218 6.138 12.278 5.271 1.00 1.10 H new ATOM 891 N GLY A 219 3.604 9.084 3.435 1.00 0.21 N ATOM 892 CA GLY A 219 3.119 8.765 2.111 1.00 0.23 C ATOM 893 C GLY A 219 3.805 9.564 1.024 1.00 0.22 C ATOM 894 O GLY A 219 4.067 9.047 -0.061 1.00 0.22 O ATOM 0 H GLY A 219 2.911 9.503 4.055 1.00 0.21 H new ATOM 0 HA2 GLY A 219 3.267 7.702 1.922 1.00 0.23 H new ATOM 0 HA3 GLY A 219 2.046 8.950 2.068 1.00 0.23 H new ATOM 898 N ARG A 220 4.107 10.823 1.310 1.00 0.24 N ATOM 899 CA ARG A 220 4.744 11.689 0.328 1.00 0.25 C ATOM 900 C ARG A 220 6.137 11.185 -0.009 1.00 0.25 C ATOM 901 O ARG A 220 6.625 11.389 -1.111 1.00 0.32 O ATOM 902 CB ARG A 220 4.790 13.130 0.835 1.00 0.26 C ATOM 903 CG ARG A 220 5.510 14.099 -0.092 1.00 1.23 C ATOM 904 CD ARG A 220 6.879 14.475 0.457 1.00 2.30 C ATOM 905 NE ARG A 220 6.771 15.288 1.667 1.00 3.08 N ATOM 906 CZ ARG A 220 7.741 15.434 2.569 1.00 4.20 C ATOM 907 NH1 ARG A 220 8.886 14.775 2.445 1.00 4.78 N ATOM 908 NH2 ARG A 220 7.559 16.235 3.612 1.00 5.01 N ATOM 0 H ARG A 220 3.922 11.266 2.210 1.00 0.24 H new ATOM 0 HA ARG A 220 4.150 11.670 -0.586 1.00 0.25 H new ATOM 0 HB2 ARG A 220 3.770 13.482 0.987 1.00 0.26 H new ATOM 0 HB3 ARG A 220 5.281 13.145 1.808 1.00 0.26 H new ATOM 0 HG2 ARG A 220 5.623 13.647 -1.078 1.00 1.23 H new ATOM 0 HG3 ARG A 220 4.908 14.998 -0.220 1.00 1.23 H new ATOM 0 HD2 ARG A 220 7.445 13.569 0.676 1.00 2.30 H new ATOM 0 HD3 ARG A 220 7.437 15.024 -0.302 1.00 2.30 H new ATOM 0 HE ARG A 220 5.892 15.778 1.832 1.00 3.08 H new ATOM 0 HH11 ARG A 220 9.031 14.149 1.653 1.00 4.78 H new ATOM 0 HH12 ARG A 220 9.621 14.895 3.142 1.00 4.78 H new ATOM 0 HH21 ARG A 220 6.678 16.737 3.722 1.00 5.01 H new ATOM 0 HH22 ARG A 220 8.300 16.348 4.304 1.00 5.01 H new ATOM 922 N GLU A 221 6.758 10.509 0.930 1.00 0.24 N ATOM 923 CA GLU A 221 8.048 9.890 0.694 1.00 0.27 C ATOM 924 C GLU A 221 7.867 8.538 0.005 1.00 0.23 C ATOM 925 O GLU A 221 8.618 8.193 -0.907 1.00 0.23 O ATOM 926 CB GLU A 221 8.784 9.736 2.018 1.00 0.34 C ATOM 927 CG GLU A 221 9.244 11.055 2.617 1.00 0.84 C ATOM 928 CD GLU A 221 10.165 11.828 1.697 1.00 1.60 C ATOM 929 OE1 GLU A 221 11.386 11.565 1.714 1.00 2.45 O ATOM 930 OE2 GLU A 221 9.670 12.693 0.943 1.00 2.07 O ATOM 0 H GLU A 221 6.390 10.372 1.871 1.00 0.24 H new ATOM 0 HA GLU A 221 8.642 10.523 0.035 1.00 0.27 H new ATOM 0 HB2 GLU A 221 8.131 9.231 2.730 1.00 0.34 H new ATOM 0 HB3 GLU A 221 9.651 9.092 1.869 1.00 0.34 H new ATOM 0 HG2 GLU A 221 8.372 11.667 2.849 1.00 0.84 H new ATOM 0 HG3 GLU A 221 9.757 10.862 3.559 1.00 0.84 H new ATOM 937 N LEU A 222 6.855 7.793 0.433 1.00 0.21 N ATOM 938 CA LEU A 222 6.525 6.499 -0.164 1.00 0.20 C ATOM 939 C LEU A 222 6.175 6.652 -1.646 1.00 0.18 C ATOM 940 O LEU A 222 6.764 5.999 -2.501 1.00 0.20 O ATOM 941 CB LEU A 222 5.349 5.873 0.605 1.00 0.21 C ATOM 942 CG LEU A 222 5.068 4.382 0.350 1.00 0.21 C ATOM 943 CD1 LEU A 222 4.344 4.170 -0.972 1.00 0.19 C ATOM 944 CD2 LEU A 222 6.358 3.578 0.384 1.00 0.26 C ATOM 0 H LEU A 222 6.241 8.065 1.200 1.00 0.21 H new ATOM 0 HA LEU A 222 7.394 5.845 -0.096 1.00 0.20 H new ATOM 0 HB2 LEU A 222 5.531 6.007 1.671 1.00 0.21 H new ATOM 0 HB3 LEU A 222 4.447 6.435 0.362 1.00 0.21 H new ATOM 0 HG LEU A 222 4.416 4.029 1.149 1.00 0.21 H new ATOM 0 HD11 LEU A 222 4.161 3.106 -1.120 1.00 0.19 H new ATOM 0 HD12 LEU A 222 3.393 4.702 -0.956 1.00 0.19 H new ATOM 0 HD13 LEU A 222 4.958 4.550 -1.788 1.00 0.19 H new ATOM 0 HD21 LEU A 222 6.136 2.527 0.201 1.00 0.26 H new ATOM 0 HD22 LEU A 222 7.036 3.945 -0.387 1.00 0.26 H new ATOM 0 HD23 LEU A 222 6.828 3.685 1.362 1.00 0.26 H new ATOM 956 N CYS A 223 5.221 7.520 -1.943 1.00 0.18 N ATOM 957 CA CYS A 223 4.722 7.668 -3.305 1.00 0.18 C ATOM 958 C CYS A 223 5.761 8.319 -4.216 1.00 0.18 C ATOM 959 O CYS A 223 5.703 8.178 -5.437 1.00 0.21 O ATOM 960 CB CYS A 223 3.426 8.485 -3.300 1.00 0.21 C ATOM 961 SG CYS A 223 2.598 8.605 -4.904 1.00 0.71 S ATOM 0 H CYS A 223 4.775 8.134 -1.261 1.00 0.18 H new ATOM 0 HA CYS A 223 4.517 6.673 -3.700 1.00 0.18 H new ATOM 0 HB2 CYS A 223 2.736 8.040 -2.583 1.00 0.21 H new ATOM 0 HB3 CYS A 223 3.649 9.491 -2.946 1.00 0.21 H new ATOM 0 HG CYS A 223 3.473 8.468 -5.855 1.00 0.71 H new ATOM 967 N SER A 224 6.718 9.016 -3.628 1.00 0.17 N ATOM 968 CA SER A 224 7.723 9.719 -4.405 1.00 0.21 C ATOM 969 C SER A 224 8.922 8.842 -4.757 1.00 0.17 C ATOM 970 O SER A 224 9.802 9.273 -5.503 1.00 0.19 O ATOM 971 CB SER A 224 8.179 10.967 -3.663 1.00 0.30 C ATOM 972 OG SER A 224 7.127 11.914 -3.584 1.00 1.10 O ATOM 0 H SER A 224 6.820 9.110 -2.617 1.00 0.17 H new ATOM 0 HA SER A 224 7.255 10.003 -5.348 1.00 0.21 H new ATOM 0 HB2 SER A 224 8.510 10.699 -2.660 1.00 0.30 H new ATOM 0 HB3 SER A 224 9.035 11.408 -4.174 1.00 0.30 H new ATOM 0 HG SER A 224 6.623 11.775 -2.755 1.00 1.10 H new ATOM 978 N LEU A 225 8.978 7.620 -4.249 1.00 0.17 N ATOM 979 CA LEU A 225 10.038 6.721 -4.666 1.00 0.18 C ATOM 980 C LEU A 225 9.501 5.761 -5.720 1.00 0.19 C ATOM 981 O LEU A 225 8.370 5.278 -5.614 1.00 0.19 O ATOM 982 CB LEU A 225 10.661 5.981 -3.469 1.00 0.19 C ATOM 983 CG LEU A 225 9.704 5.217 -2.549 1.00 0.16 C ATOM 984 CD1 LEU A 225 9.487 3.795 -3.039 1.00 0.39 C ATOM 985 CD2 LEU A 225 10.237 5.210 -1.128 1.00 0.27 C ATOM 0 H LEU A 225 8.322 7.238 -3.568 1.00 0.17 H new ATOM 0 HA LEU A 225 10.844 7.305 -5.110 1.00 0.18 H new ATOM 0 HB2 LEU A 225 11.397 5.275 -3.853 1.00 0.19 H new ATOM 0 HB3 LEU A 225 11.202 6.709 -2.865 1.00 0.19 H new ATOM 0 HG LEU A 225 8.741 5.727 -2.564 1.00 0.16 H new ATOM 0 HD11 LEU A 225 8.803 3.278 -2.365 1.00 0.39 H new ATOM 0 HD12 LEU A 225 9.061 3.817 -4.042 1.00 0.39 H new ATOM 0 HD13 LEU A 225 10.441 3.268 -3.062 1.00 0.39 H new ATOM 0 HD21 LEU A 225 9.548 4.664 -0.484 1.00 0.27 H new ATOM 0 HD22 LEU A 225 11.213 4.726 -1.108 1.00 0.27 H new ATOM 0 HD23 LEU A 225 10.333 6.235 -0.770 1.00 0.27 H new ATOM 997 N ASN A 226 10.279 5.526 -6.762 1.00 0.22 N ATOM 998 CA ASN A 226 9.875 4.606 -7.815 1.00 0.25 C ATOM 999 C ASN A 226 10.148 3.173 -7.391 1.00 0.21 C ATOM 1000 O ASN A 226 10.835 2.944 -6.391 1.00 0.23 O ATOM 1001 CB ASN A 226 10.569 4.932 -9.148 1.00 0.40 C ATOM 1002 CG ASN A 226 12.091 4.868 -9.100 1.00 1.04 C ATOM 1003 OD1 ASN A 226 12.685 4.054 -8.389 1.00 2.01 O ATOM 1004 ND2 ASN A 226 12.731 5.739 -9.863 1.00 1.31 N ATOM 0 H ASN A 226 11.192 5.958 -6.903 1.00 0.22 H new ATOM 0 HA ASN A 226 8.803 4.723 -7.975 1.00 0.25 H new ATOM 0 HB2 ASN A 226 10.212 4.237 -9.908 1.00 0.40 H new ATOM 0 HB3 ASN A 226 10.270 5.931 -9.464 1.00 0.40 H new ATOM 0 HD21 ASN A 226 13.751 5.752 -9.877 1.00 1.31 H new ATOM 0 HD22 ASN A 226 12.205 6.397 -10.438 1.00 1.31 H new ATOM 1011 N GLN A 227 9.550 2.213 -8.120 1.00 0.20 N ATOM 1012 CA GLN A 227 9.542 0.805 -7.734 1.00 0.19 C ATOM 1013 C GLN A 227 10.896 0.325 -7.230 1.00 0.18 C ATOM 1014 O GLN A 227 10.984 -0.487 -6.315 1.00 0.19 O ATOM 1015 CB GLN A 227 9.120 -0.071 -8.908 1.00 0.22 C ATOM 1016 CG GLN A 227 8.805 -1.493 -8.483 1.00 0.29 C ATOM 1017 CD GLN A 227 7.617 -1.557 -7.551 1.00 0.52 C ATOM 1018 OE1 GLN A 227 6.476 -1.704 -7.982 1.00 1.30 O ATOM 1019 NE2 GLN A 227 7.886 -1.440 -6.261 1.00 1.13 N ATOM 0 H GLN A 227 9.060 2.401 -8.994 1.00 0.20 H new ATOM 0 HA GLN A 227 8.825 0.719 -6.918 1.00 0.19 H new ATOM 0 HB2 GLN A 227 8.243 0.365 -9.387 1.00 0.22 H new ATOM 0 HB3 GLN A 227 9.916 -0.085 -9.652 1.00 0.22 H new ATOM 0 HG2 GLN A 227 8.605 -2.099 -9.367 1.00 0.29 H new ATOM 0 HG3 GLN A 227 9.676 -1.925 -7.990 1.00 0.29 H new ATOM 0 HE21 GLN A 227 8.850 -1.320 -5.950 1.00 1.13 H new ATOM 0 HE22 GLN A 227 7.130 -1.470 -5.577 1.00 1.13 H new ATOM 1028 N GLU A 228 11.945 0.878 -7.826 1.00 0.20 N ATOM 1029 CA GLU A 228 13.313 0.457 -7.592 1.00 0.23 C ATOM 1030 C GLU A 228 13.786 0.909 -6.221 1.00 0.18 C ATOM 1031 O GLU A 228 14.330 0.111 -5.465 1.00 0.19 O ATOM 1032 CB GLU A 228 14.203 1.056 -8.670 1.00 0.34 C ATOM 1033 CG GLU A 228 15.669 0.698 -8.539 1.00 1.14 C ATOM 1034 CD GLU A 228 16.489 1.325 -9.637 1.00 1.66 C ATOM 1035 OE1 GLU A 228 16.796 2.529 -9.536 1.00 2.29 O ATOM 1036 OE2 GLU A 228 16.813 0.620 -10.617 1.00 1.83 O ATOM 0 H GLU A 228 11.864 1.643 -8.495 1.00 0.20 H new ATOM 0 HA GLU A 228 13.365 -0.631 -7.628 1.00 0.23 H new ATOM 0 HB2 GLU A 228 13.846 0.724 -9.645 1.00 0.34 H new ATOM 0 HB3 GLU A 228 14.103 2.141 -8.646 1.00 0.34 H new ATOM 0 HG2 GLU A 228 16.041 1.031 -7.570 1.00 1.14 H new ATOM 0 HG3 GLU A 228 15.785 -0.385 -8.570 1.00 1.14 H new ATOM 1043 N ASP A 229 13.579 2.179 -5.909 1.00 0.18 N ATOM 1044 CA ASP A 229 13.936 2.671 -4.579 1.00 0.20 C ATOM 1045 C ASP A 229 13.238 1.850 -3.499 1.00 0.19 C ATOM 1046 O ASP A 229 13.790 1.631 -2.427 1.00 0.22 O ATOM 1047 CB ASP A 229 13.606 4.153 -4.426 1.00 0.25 C ATOM 1048 CG ASP A 229 14.358 4.804 -3.280 1.00 0.37 C ATOM 1049 OD1 ASP A 229 13.921 4.642 -2.120 1.00 0.54 O ATOM 1050 OD2 ASP A 229 15.386 5.469 -3.524 1.00 0.71 O ATOM 0 H ASP A 229 13.177 2.875 -6.537 1.00 0.18 H new ATOM 0 HA ASP A 229 15.014 2.558 -4.460 1.00 0.20 H new ATOM 0 HB2 ASP A 229 13.845 4.672 -5.354 1.00 0.25 H new ATOM 0 HB3 ASP A 229 12.534 4.268 -4.264 1.00 0.25 H new ATOM 1055 N PHE A 230 12.044 1.355 -3.802 1.00 0.17 N ATOM 1056 CA PHE A 230 11.371 0.430 -2.897 1.00 0.17 C ATOM 1057 C PHE A 230 12.046 -0.926 -2.962 1.00 0.18 C ATOM 1058 O PHE A 230 12.321 -1.531 -1.937 1.00 0.21 O ATOM 1059 CB PHE A 230 9.893 0.259 -3.244 1.00 0.17 C ATOM 1060 CG PHE A 230 9.212 -0.843 -2.460 1.00 0.17 C ATOM 1061 CD1 PHE A 230 8.683 -0.602 -1.200 1.00 0.19 C ATOM 1062 CD2 PHE A 230 9.083 -2.120 -2.994 1.00 0.19 C ATOM 1063 CE1 PHE A 230 8.040 -1.608 -0.498 1.00 0.23 C ATOM 1064 CE2 PHE A 230 8.446 -3.124 -2.291 1.00 0.21 C ATOM 1065 CZ PHE A 230 7.922 -2.867 -1.045 1.00 0.22 C ATOM 0 H PHE A 230 11.528 1.574 -4.654 1.00 0.17 H new ATOM 0 HA PHE A 230 11.440 0.849 -1.893 1.00 0.17 H new ATOM 0 HB2 PHE A 230 9.374 1.199 -3.060 1.00 0.17 H new ATOM 0 HB3 PHE A 230 9.800 0.047 -4.309 1.00 0.17 H new ATOM 0 HD1 PHE A 230 8.774 0.381 -0.762 1.00 0.19 H new ATOM 0 HD2 PHE A 230 9.487 -2.330 -3.973 1.00 0.19 H new ATOM 0 HE1 PHE A 230 7.630 -1.405 0.480 1.00 0.23 H new ATOM 0 HE2 PHE A 230 8.359 -4.111 -2.720 1.00 0.21 H new ATOM 0 HZ PHE A 230 7.419 -3.650 -0.497 1.00 0.22 H new ATOM 1075 N PHE A 231 12.340 -1.388 -4.175 1.00 0.17 N ATOM 1076 CA PHE A 231 12.811 -2.754 -4.377 1.00 0.20 C ATOM 1077 C PHE A 231 14.211 -2.944 -3.813 1.00 0.25 C ATOM 1078 O PHE A 231 14.620 -4.061 -3.529 1.00 0.41 O ATOM 1079 CB PHE A 231 12.783 -3.136 -5.860 1.00 0.21 C ATOM 1080 CG PHE A 231 11.522 -3.830 -6.295 1.00 0.20 C ATOM 1081 CD1 PHE A 231 10.361 -3.741 -5.545 1.00 0.33 C ATOM 1082 CD2 PHE A 231 11.500 -4.572 -7.466 1.00 0.44 C ATOM 1083 CE1 PHE A 231 9.207 -4.383 -5.948 1.00 0.36 C ATOM 1084 CE2 PHE A 231 10.349 -5.215 -7.874 1.00 0.45 C ATOM 1085 CZ PHE A 231 9.199 -5.120 -7.116 1.00 0.27 C ATOM 0 H PHE A 231 12.260 -0.838 -5.030 1.00 0.17 H new ATOM 0 HA PHE A 231 12.131 -3.414 -3.838 1.00 0.20 H new ATOM 0 HB2 PHE A 231 12.913 -2.234 -6.458 1.00 0.21 H new ATOM 0 HB3 PHE A 231 13.633 -3.784 -6.073 1.00 0.21 H new ATOM 0 HD1 PHE A 231 10.358 -3.162 -4.633 1.00 0.33 H new ATOM 0 HD2 PHE A 231 12.395 -4.648 -8.066 1.00 0.44 H new ATOM 0 HE1 PHE A 231 8.311 -4.309 -5.350 1.00 0.36 H new ATOM 0 HE2 PHE A 231 10.348 -5.793 -8.787 1.00 0.45 H new ATOM 0 HZ PHE A 231 8.297 -5.620 -7.435 1.00 0.27 H new ATOM 1095 N GLN A 232 14.959 -1.867 -3.653 1.00 0.20 N ATOM 1096 CA GLN A 232 16.270 -1.999 -3.052 1.00 0.23 C ATOM 1097 C GLN A 232 16.101 -2.139 -1.546 1.00 0.25 C ATOM 1098 O GLN A 232 16.742 -2.976 -0.909 1.00 0.28 O ATOM 1099 CB GLN A 232 17.184 -0.811 -3.384 1.00 0.24 C ATOM 1100 CG GLN A 232 17.242 -0.445 -4.863 1.00 0.28 C ATOM 1101 CD GLN A 232 17.487 -1.636 -5.771 1.00 0.33 C ATOM 1102 OE1 GLN A 232 18.629 -2.001 -6.049 1.00 0.37 O ATOM 1103 NE2 GLN A 232 16.411 -2.234 -6.261 1.00 0.36 N ATOM 0 H GLN A 232 14.691 -0.920 -3.922 1.00 0.20 H new ATOM 0 HA GLN A 232 16.753 -2.886 -3.463 1.00 0.23 H new ATOM 0 HB2 GLN A 232 16.845 0.059 -2.822 1.00 0.24 H new ATOM 0 HB3 GLN A 232 18.193 -1.039 -3.040 1.00 0.24 H new ATOM 0 HG2 GLN A 232 16.305 0.033 -5.148 1.00 0.28 H new ATOM 0 HG3 GLN A 232 18.033 0.288 -5.017 1.00 0.28 H new ATOM 0 HE21 GLN A 232 15.481 -1.901 -6.006 1.00 0.36 H new ATOM 0 HE22 GLN A 232 16.512 -3.028 -6.893 1.00 0.36 H new ATOM 1112 N ARG A 233 15.232 -1.298 -0.988 1.00 0.24 N ATOM 1113 CA ARG A 233 14.835 -1.380 0.415 1.00 0.27 C ATOM 1114 C ARG A 233 14.187 -2.732 0.725 1.00 0.29 C ATOM 1115 O ARG A 233 14.341 -3.276 1.818 1.00 0.33 O ATOM 1116 CB ARG A 233 13.799 -0.294 0.714 1.00 0.27 C ATOM 1117 CG ARG A 233 14.266 1.124 0.450 1.00 0.27 C ATOM 1118 CD ARG A 233 13.172 2.122 0.792 1.00 0.40 C ATOM 1119 NE ARG A 233 13.491 3.474 0.343 1.00 0.69 N ATOM 1120 CZ ARG A 233 13.469 4.548 1.127 1.00 0.67 C ATOM 1121 NH1 ARG A 233 13.154 4.432 2.416 1.00 0.93 N ATOM 1122 NH2 ARG A 233 13.750 5.735 0.613 1.00 1.39 N ATOM 0 H ARG A 233 14.782 -0.538 -1.499 1.00 0.24 H new ATOM 0 HA ARG A 233 15.730 -1.253 1.023 1.00 0.27 H new ATOM 0 HB2 ARG A 233 12.910 -0.486 0.114 1.00 0.27 H new ATOM 0 HB3 ARG A 233 13.501 -0.374 1.760 1.00 0.27 H new ATOM 0 HG2 ARG A 233 15.156 1.335 1.043 1.00 0.27 H new ATOM 0 HG3 ARG A 233 14.548 1.230 -0.598 1.00 0.27 H new ATOM 0 HD2 ARG A 233 12.236 1.802 0.334 1.00 0.40 H new ATOM 0 HD3 ARG A 233 13.014 2.128 1.870 1.00 0.40 H new ATOM 0 HE ARG A 233 13.747 3.603 -0.636 1.00 0.69 H new ATOM 0 HH11 ARG A 233 12.928 3.517 2.806 1.00 0.93 H new ATOM 0 HH12 ARG A 233 13.138 5.258 3.014 1.00 0.93 H new ATOM 0 HH21 ARG A 233 13.981 5.820 -0.377 1.00 1.39 H new ATOM 0 HH22 ARG A 233 13.736 6.564 1.207 1.00 1.39 H new ATOM 1136 N VAL A 234 13.475 -3.269 -0.269 1.00 0.27 N ATOM 1137 CA VAL A 234 12.577 -4.413 -0.120 1.00 0.27 C ATOM 1138 C VAL A 234 12.043 -4.794 -1.508 1.00 0.25 C ATOM 1139 O VAL A 234 11.126 -4.173 -2.030 1.00 0.24 O ATOM 1140 CB VAL A 234 11.400 -4.104 0.865 1.00 0.27 C ATOM 1141 CG1 VAL A 234 10.957 -2.655 0.757 1.00 0.28 C ATOM 1142 CG2 VAL A 234 10.199 -5.019 0.638 1.00 0.26 C ATOM 0 H VAL A 234 13.509 -2.910 -1.223 1.00 0.27 H new ATOM 0 HA VAL A 234 13.131 -5.248 0.310 1.00 0.27 H new ATOM 0 HB VAL A 234 11.785 -4.290 1.868 1.00 0.27 H new ATOM 0 HG11 VAL A 234 10.139 -2.472 1.453 1.00 0.28 H new ATOM 0 HG12 VAL A 234 11.794 -2.000 1.000 1.00 0.28 H new ATOM 0 HG13 VAL A 234 10.621 -2.452 -0.260 1.00 0.28 H new ATOM 0 HG21 VAL A 234 9.409 -4.765 1.345 1.00 0.26 H new ATOM 0 HG22 VAL A 234 9.830 -4.889 -0.379 1.00 0.26 H new ATOM 0 HG23 VAL A 234 10.499 -6.056 0.786 1.00 0.26 H new ATOM 1152 N PRO A 235 12.643 -5.803 -2.146 1.00 0.27 N ATOM 1153 CA PRO A 235 12.349 -6.152 -3.538 1.00 0.27 C ATOM 1154 C PRO A 235 11.099 -7.002 -3.697 1.00 0.30 C ATOM 1155 O PRO A 235 10.521 -7.079 -4.779 1.00 0.32 O ATOM 1156 CB PRO A 235 13.585 -6.953 -3.982 1.00 0.30 C ATOM 1157 CG PRO A 235 14.476 -7.074 -2.777 1.00 0.34 C ATOM 1158 CD PRO A 235 13.660 -6.685 -1.576 1.00 0.33 C ATOM 0 HA PRO A 235 12.156 -5.257 -4.130 1.00 0.27 H new ATOM 0 HB2 PRO A 235 13.297 -7.937 -4.351 1.00 0.30 H new ATOM 0 HB3 PRO A 235 14.102 -6.447 -4.797 1.00 0.30 H new ATOM 0 HG2 PRO A 235 14.848 -8.094 -2.675 1.00 0.34 H new ATOM 0 HG3 PRO A 235 15.347 -6.426 -2.876 1.00 0.34 H new ATOM 0 HD2 PRO A 235 13.216 -7.554 -1.091 1.00 0.33 H new ATOM 0 HD3 PRO A 235 14.263 -6.174 -0.825 1.00 0.33 H new ATOM 1166 N ARG A 236 10.670 -7.626 -2.626 1.00 0.31 N ATOM 1167 CA ARG A 236 9.562 -8.568 -2.693 1.00 0.31 C ATOM 1168 C ARG A 236 8.210 -7.931 -2.349 1.00 0.28 C ATOM 1169 O ARG A 236 7.348 -8.580 -1.758 1.00 0.32 O ATOM 1170 CB ARG A 236 9.859 -9.772 -1.787 1.00 0.39 C ATOM 1171 CG ARG A 236 10.459 -9.414 -0.427 1.00 0.67 C ATOM 1172 CD ARG A 236 9.436 -8.784 0.501 1.00 1.04 C ATOM 1173 NE ARG A 236 8.504 -9.789 1.006 1.00 1.78 N ATOM 1174 CZ ARG A 236 8.696 -10.459 2.144 1.00 2.75 C ATOM 1175 NH1 ARG A 236 9.724 -10.157 2.926 1.00 3.36 N ATOM 1176 NH2 ARG A 236 7.859 -11.421 2.505 1.00 3.49 N ATOM 0 H ARG A 236 11.067 -7.503 -1.694 1.00 0.31 H new ATOM 0 HA ARG A 236 9.474 -8.903 -3.727 1.00 0.31 H new ATOM 0 HB2 ARG A 236 8.934 -10.326 -1.627 1.00 0.39 H new ATOM 0 HB3 ARG A 236 10.545 -10.441 -2.307 1.00 0.39 H new ATOM 0 HG2 ARG A 236 10.864 -10.313 0.038 1.00 0.67 H new ATOM 0 HG3 ARG A 236 11.292 -8.725 -0.569 1.00 0.67 H new ATOM 0 HD2 ARG A 236 9.944 -8.301 1.336 1.00 1.04 H new ATOM 0 HD3 ARG A 236 8.887 -8.007 -0.030 1.00 1.04 H new ATOM 0 HE ARG A 236 7.665 -9.989 0.462 1.00 1.78 H new ATOM 0 HH11 ARG A 236 10.368 -9.413 2.657 1.00 3.36 H new ATOM 0 HH12 ARG A 236 9.871 -10.669 3.796 1.00 3.36 H new ATOM 0 HH21 ARG A 236 7.062 -11.653 1.912 1.00 3.49 H new ATOM 0 HH22 ARG A 236 8.011 -11.929 3.376 1.00 3.49 H new ATOM 1190 N GLY A 237 8.016 -6.668 -2.712 1.00 0.23 N ATOM 1191 CA GLY A 237 6.736 -6.024 -2.458 1.00 0.20 C ATOM 1192 C GLY A 237 5.961 -5.681 -3.724 1.00 0.15 C ATOM 1193 O GLY A 237 5.097 -4.808 -3.697 1.00 0.15 O ATOM 0 H GLY A 237 8.712 -6.082 -3.173 1.00 0.23 H new ATOM 0 HA2 GLY A 237 6.127 -6.680 -1.836 1.00 0.20 H new ATOM 0 HA3 GLY A 237 6.906 -5.111 -1.888 1.00 0.20 H new ATOM 1197 N GLU A 238 6.241 -6.387 -4.823 1.00 0.16 N ATOM 1198 CA GLU A 238 5.583 -6.147 -6.119 1.00 0.15 C ATOM 1199 C GLU A 238 4.052 -6.198 -6.038 1.00 0.13 C ATOM 1200 O GLU A 238 3.360 -5.355 -6.612 1.00 0.13 O ATOM 1201 CB GLU A 238 6.076 -7.165 -7.146 1.00 0.19 C ATOM 1202 CG GLU A 238 6.037 -8.602 -6.652 1.00 1.06 C ATOM 1203 CD GLU A 238 6.356 -9.601 -7.740 1.00 1.37 C ATOM 1204 OE1 GLU A 238 7.493 -9.571 -8.261 1.00 1.74 O ATOM 1205 OE2 GLU A 238 5.482 -10.425 -8.068 1.00 1.55 O ATOM 0 H GLU A 238 6.928 -7.140 -4.844 1.00 0.16 H new ATOM 0 HA GLU A 238 5.851 -5.136 -6.424 1.00 0.15 H new ATOM 0 HB2 GLU A 238 5.467 -7.083 -8.046 1.00 0.19 H new ATOM 0 HB3 GLU A 238 7.099 -6.916 -7.429 1.00 0.19 H new ATOM 0 HG2 GLU A 238 6.749 -8.721 -5.835 1.00 1.06 H new ATOM 0 HG3 GLU A 238 5.048 -8.816 -6.246 1.00 1.06 H new ATOM 1212 N ILE A 239 3.544 -7.179 -5.314 1.00 0.12 N ATOM 1213 CA ILE A 239 2.103 -7.402 -5.229 1.00 0.12 C ATOM 1214 C ILE A 239 1.435 -6.243 -4.462 1.00 0.12 C ATOM 1215 O ILE A 239 0.295 -5.861 -4.744 1.00 0.12 O ATOM 1216 CB ILE A 239 1.809 -8.779 -4.575 1.00 0.13 C ATOM 1217 CG1 ILE A 239 0.669 -9.506 -5.304 1.00 0.18 C ATOM 1218 CG2 ILE A 239 1.490 -8.638 -3.101 1.00 0.25 C ATOM 1219 CD1 ILE A 239 -0.689 -8.860 -5.144 1.00 0.26 C ATOM 0 H ILE A 239 4.105 -7.838 -4.774 1.00 0.12 H new ATOM 0 HA ILE A 239 1.678 -7.422 -6.233 1.00 0.12 H new ATOM 0 HB ILE A 239 2.714 -9.380 -4.667 1.00 0.13 H new ATOM 0 HG12 ILE A 239 0.909 -9.559 -6.366 1.00 0.18 H new ATOM 0 HG13 ILE A 239 0.615 -10.531 -4.937 1.00 0.18 H new ATOM 0 HG21 ILE A 239 1.290 -9.622 -2.676 1.00 0.25 H new ATOM 0 HG22 ILE A 239 2.338 -8.187 -2.587 1.00 0.25 H new ATOM 0 HG23 ILE A 239 0.612 -8.004 -2.978 1.00 0.25 H new ATOM 0 HD11 ILE A 239 -1.434 -9.438 -5.691 1.00 0.26 H new ATOM 0 HD12 ILE A 239 -0.956 -8.831 -4.088 1.00 0.26 H new ATOM 0 HD13 ILE A 239 -0.657 -7.844 -5.538 1.00 0.26 H new ATOM 1231 N LEU A 240 2.183 -5.664 -3.529 1.00 0.13 N ATOM 1232 CA LEU A 240 1.705 -4.534 -2.739 1.00 0.14 C ATOM 1233 C LEU A 240 1.439 -3.330 -3.635 1.00 0.14 C ATOM 1234 O LEU A 240 0.344 -2.774 -3.643 1.00 0.14 O ATOM 1235 CB LEU A 240 2.723 -4.181 -1.648 1.00 0.18 C ATOM 1236 CG LEU A 240 2.356 -4.656 -0.245 1.00 0.24 C ATOM 1237 CD1 LEU A 240 3.461 -4.311 0.729 1.00 0.45 C ATOM 1238 CD2 LEU A 240 1.049 -4.031 0.207 1.00 0.25 C ATOM 0 H LEU A 240 3.131 -5.962 -3.300 1.00 0.13 H new ATOM 0 HA LEU A 240 0.768 -4.816 -2.260 1.00 0.14 H new ATOM 0 HB2 LEU A 240 3.688 -4.610 -1.920 1.00 0.18 H new ATOM 0 HB3 LEU A 240 2.850 -3.099 -1.627 1.00 0.18 H new ATOM 0 HG LEU A 240 2.231 -5.739 -0.270 1.00 0.24 H new ATOM 0 HD11 LEU A 240 3.187 -4.655 1.726 1.00 0.45 H new ATOM 0 HD12 LEU A 240 4.385 -4.798 0.418 1.00 0.45 H new ATOM 0 HD13 LEU A 240 3.608 -3.231 0.745 1.00 0.45 H new ATOM 0 HD21 LEU A 240 0.805 -4.382 1.210 1.00 0.25 H new ATOM 0 HD22 LEU A 240 1.149 -2.946 0.217 1.00 0.25 H new ATOM 0 HD23 LEU A 240 0.253 -4.315 -0.481 1.00 0.25 H new ATOM 1250 N TRP A 241 2.449 -2.960 -4.405 1.00 0.14 N ATOM 1251 CA TRP A 241 2.364 -1.844 -5.344 1.00 0.15 C ATOM 1252 C TRP A 241 1.226 -1.990 -6.335 1.00 0.15 C ATOM 1253 O TRP A 241 0.602 -1.013 -6.739 1.00 0.16 O ATOM 1254 CB TRP A 241 3.685 -1.748 -6.073 1.00 0.17 C ATOM 1255 CG TRP A 241 4.713 -1.273 -5.114 1.00 0.16 C ATOM 1256 CD1 TRP A 241 5.561 -2.042 -4.391 1.00 0.17 C ATOM 1257 CD2 TRP A 241 4.941 0.080 -4.702 1.00 0.16 C ATOM 1258 NE1 TRP A 241 6.312 -1.259 -3.566 1.00 0.17 N ATOM 1259 CE2 TRP A 241 5.960 0.046 -3.741 1.00 0.17 C ATOM 1260 CE3 TRP A 241 4.395 1.318 -5.056 1.00 0.18 C ATOM 1261 CZ2 TRP A 241 6.448 1.189 -3.126 1.00 0.18 C ATOM 1262 CZ3 TRP A 241 4.881 2.458 -4.445 1.00 0.19 C ATOM 1263 CH2 TRP A 241 5.900 2.387 -3.490 1.00 0.19 C ATOM 0 H TRP A 241 3.357 -3.425 -4.399 1.00 0.14 H new ATOM 0 HA TRP A 241 2.157 -0.934 -4.781 1.00 0.15 H new ATOM 0 HB2 TRP A 241 3.966 -2.719 -6.480 1.00 0.17 H new ATOM 0 HB3 TRP A 241 3.605 -1.061 -6.915 1.00 0.17 H new ATOM 0 HD1 TRP A 241 5.632 -3.118 -4.458 1.00 0.17 H new ATOM 0 HE1 TRP A 241 7.025 -1.597 -2.919 1.00 0.17 H new ATOM 0 HE3 TRP A 241 3.608 1.382 -5.793 1.00 0.18 H new ATOM 0 HZ2 TRP A 241 7.233 1.135 -2.386 1.00 0.18 H new ATOM 0 HZ3 TRP A 241 4.467 3.420 -4.709 1.00 0.19 H new ATOM 0 HH2 TRP A 241 6.261 3.296 -3.031 1.00 0.19 H new ATOM 1274 N SER A 242 0.983 -3.232 -6.717 1.00 0.15 N ATOM 1275 CA SER A 242 -0.084 -3.561 -7.646 1.00 0.15 C ATOM 1276 C SER A 242 -1.419 -3.074 -7.092 1.00 0.14 C ATOM 1277 O SER A 242 -2.188 -2.394 -7.776 1.00 0.14 O ATOM 1278 CB SER A 242 -0.118 -5.075 -7.861 1.00 0.16 C ATOM 1279 OG SER A 242 -1.042 -5.439 -8.872 1.00 0.24 O ATOM 0 H SER A 242 1.518 -4.038 -6.393 1.00 0.15 H new ATOM 0 HA SER A 242 0.097 -3.069 -8.602 1.00 0.15 H new ATOM 0 HB2 SER A 242 0.877 -5.427 -8.133 1.00 0.16 H new ATOM 0 HB3 SER A 242 -0.386 -5.569 -6.927 1.00 0.16 H new ATOM 0 HG SER A 242 -1.037 -6.412 -8.985 1.00 0.24 H new ATOM 1285 N HIS A 243 -1.666 -3.403 -5.831 1.00 0.13 N ATOM 1286 CA HIS A 243 -2.867 -2.947 -5.150 1.00 0.13 C ATOM 1287 C HIS A 243 -2.832 -1.429 -4.976 1.00 0.13 C ATOM 1288 O HIS A 243 -3.860 -0.763 -5.022 1.00 0.13 O ATOM 1289 CB HIS A 243 -3.001 -3.633 -3.788 1.00 0.15 C ATOM 1290 CG HIS A 243 -4.157 -3.142 -2.967 1.00 0.15 C ATOM 1291 ND1 HIS A 243 -4.021 -2.884 -1.628 1.00 0.17 N ATOM 1292 CD2 HIS A 243 -5.439 -2.894 -3.337 1.00 0.15 C ATOM 1293 CE1 HIS A 243 -5.210 -2.491 -1.213 1.00 0.17 C ATOM 1294 NE2 HIS A 243 -6.102 -2.481 -2.211 1.00 0.17 N ATOM 0 H HIS A 243 -1.051 -3.983 -5.261 1.00 0.13 H new ATOM 0 HA HIS A 243 -3.732 -3.210 -5.758 1.00 0.13 H new ATOM 0 HB2 HIS A 243 -3.109 -4.707 -3.943 1.00 0.15 H new ATOM 0 HB3 HIS A 243 -2.080 -3.483 -3.225 1.00 0.15 H new ATOM 0 HD1 HIS A 243 -3.174 -2.977 -1.067 1.00 0.17 H new ATOM 0 HD2 HIS A 243 -5.856 -3.001 -4.327 1.00 0.15 H new ATOM 0 HE1 HIS A 243 -5.436 -2.212 -0.194 1.00 0.17 H new ATOM 1302 N LEU A 244 -1.635 -0.899 -4.802 1.00 0.13 N ATOM 1303 CA LEU A 244 -1.469 0.529 -4.565 1.00 0.12 C ATOM 1304 C LEU A 244 -1.824 1.330 -5.811 1.00 0.13 C ATOM 1305 O LEU A 244 -2.502 2.357 -5.726 1.00 0.12 O ATOM 1306 CB LEU A 244 -0.055 0.860 -4.087 1.00 0.13 C ATOM 1307 CG LEU A 244 0.252 2.353 -3.986 1.00 0.15 C ATOM 1308 CD1 LEU A 244 -0.868 3.077 -3.255 1.00 0.17 C ATOM 1309 CD2 LEU A 244 1.579 2.576 -3.278 1.00 0.17 C ATOM 0 H LEU A 244 -0.765 -1.431 -4.820 1.00 0.13 H new ATOM 0 HA LEU A 244 -2.158 0.812 -3.769 1.00 0.12 H new ATOM 0 HB2 LEU A 244 0.099 0.404 -3.109 1.00 0.13 H new ATOM 0 HB3 LEU A 244 0.661 0.401 -4.769 1.00 0.13 H new ATOM 0 HG LEU A 244 0.326 2.759 -4.995 1.00 0.15 H new ATOM 0 HD11 LEU A 244 -0.634 4.140 -3.192 1.00 0.17 H new ATOM 0 HD12 LEU A 244 -1.803 2.943 -3.799 1.00 0.17 H new ATOM 0 HD13 LEU A 244 -0.971 2.668 -2.250 1.00 0.17 H new ATOM 0 HD21 LEU A 244 1.782 3.645 -3.215 1.00 0.17 H new ATOM 0 HD22 LEU A 244 1.531 2.156 -2.274 1.00 0.17 H new ATOM 0 HD23 LEU A 244 2.377 2.087 -3.838 1.00 0.17 H new ATOM 1321 N GLU A 245 -1.368 0.879 -6.966 1.00 0.15 N ATOM 1322 CA GLU A 245 -1.780 1.503 -8.205 1.00 0.18 C ATOM 1323 C GLU A 245 -3.295 1.430 -8.357 1.00 0.17 C ATOM 1324 O GLU A 245 -3.931 2.406 -8.730 1.00 0.21 O ATOM 1325 CB GLU A 245 -1.062 0.877 -9.396 1.00 0.25 C ATOM 1326 CG GLU A 245 0.446 1.042 -9.315 1.00 0.34 C ATOM 1327 CD GLU A 245 1.079 1.277 -10.668 1.00 0.59 C ATOM 1328 OE1 GLU A 245 0.926 2.380 -11.225 1.00 0.83 O ATOM 1329 OE2 GLU A 245 1.724 0.342 -11.189 1.00 0.76 O ATOM 0 H GLU A 245 -0.723 0.096 -7.070 1.00 0.15 H new ATOM 0 HA GLU A 245 -1.498 2.555 -8.176 1.00 0.18 H new ATOM 0 HB2 GLU A 245 -1.306 -0.184 -9.447 1.00 0.25 H new ATOM 0 HB3 GLU A 245 -1.426 1.333 -10.317 1.00 0.25 H new ATOM 0 HG2 GLU A 245 0.681 1.879 -8.658 1.00 0.34 H new ATOM 0 HG3 GLU A 245 0.882 0.150 -8.864 1.00 0.34 H new ATOM 1336 N LEU A 246 -3.864 0.288 -8.001 1.00 0.16 N ATOM 1337 CA LEU A 246 -5.314 0.094 -8.042 1.00 0.16 C ATOM 1338 C LEU A 246 -6.014 1.005 -7.025 1.00 0.16 C ATOM 1339 O LEU A 246 -7.127 1.466 -7.267 1.00 0.17 O ATOM 1340 CB LEU A 246 -5.654 -1.377 -7.781 1.00 0.17 C ATOM 1341 CG LEU A 246 -7.096 -1.785 -8.069 1.00 0.21 C ATOM 1342 CD1 LEU A 246 -7.321 -1.891 -9.567 1.00 0.30 C ATOM 1343 CD2 LEU A 246 -7.425 -3.104 -7.383 1.00 0.22 C ATOM 0 H LEU A 246 -3.343 -0.527 -7.677 1.00 0.16 H new ATOM 0 HA LEU A 246 -5.674 0.363 -9.035 1.00 0.16 H new ATOM 0 HB2 LEU A 246 -4.993 -1.996 -8.387 1.00 0.17 H new ATOM 0 HB3 LEU A 246 -5.434 -1.602 -6.737 1.00 0.17 H new ATOM 0 HG LEU A 246 -7.761 -1.019 -7.671 1.00 0.21 H new ATOM 0 HD11 LEU A 246 -8.353 -2.183 -9.760 1.00 0.30 H new ATOM 0 HD12 LEU A 246 -7.123 -0.926 -10.034 1.00 0.30 H new ATOM 0 HD13 LEU A 246 -6.648 -2.640 -9.984 1.00 0.30 H new ATOM 0 HD21 LEU A 246 -8.457 -3.379 -7.599 1.00 0.22 H new ATOM 0 HD22 LEU A 246 -6.757 -3.882 -7.752 1.00 0.22 H new ATOM 0 HD23 LEU A 246 -7.297 -2.996 -6.306 1.00 0.22 H new ATOM 1355 N LEU A 247 -5.360 1.266 -5.908 1.00 0.17 N ATOM 1356 CA LEU A 247 -5.837 2.265 -4.953 1.00 0.16 C ATOM 1357 C LEU A 247 -5.945 3.646 -5.604 1.00 0.17 C ATOM 1358 O LEU A 247 -7.029 4.226 -5.660 1.00 0.19 O ATOM 1359 CB LEU A 247 -4.908 2.341 -3.732 1.00 0.15 C ATOM 1360 CG LEU A 247 -4.952 1.137 -2.786 1.00 0.15 C ATOM 1361 CD1 LEU A 247 -3.849 1.235 -1.748 1.00 0.15 C ATOM 1362 CD2 LEU A 247 -6.304 1.046 -2.102 1.00 0.19 C ATOM 0 H LEU A 247 -4.494 0.802 -5.634 1.00 0.17 H new ATOM 0 HA LEU A 247 -6.830 1.955 -4.626 1.00 0.16 H new ATOM 0 HB2 LEU A 247 -3.884 2.465 -4.085 1.00 0.15 H new ATOM 0 HB3 LEU A 247 -5.159 3.236 -3.163 1.00 0.15 H new ATOM 0 HG LEU A 247 -4.798 0.234 -3.376 1.00 0.15 H new ATOM 0 HD11 LEU A 247 -3.896 0.371 -1.085 1.00 0.15 H new ATOM 0 HD12 LEU A 247 -2.880 1.257 -2.247 1.00 0.15 H new ATOM 0 HD13 LEU A 247 -3.978 2.147 -1.165 1.00 0.15 H new ATOM 0 HD21 LEU A 247 -6.317 0.185 -1.434 1.00 0.19 H new ATOM 0 HD22 LEU A 247 -6.482 1.954 -1.526 1.00 0.19 H new ATOM 0 HD23 LEU A 247 -7.085 0.933 -2.854 1.00 0.19 H new ATOM 1374 N ARG A 248 -4.846 4.165 -6.122 1.00 0.18 N ATOM 1375 CA ARG A 248 -4.866 5.527 -6.656 1.00 0.22 C ATOM 1376 C ARG A 248 -5.635 5.600 -7.978 1.00 0.23 C ATOM 1377 O ARG A 248 -6.076 6.677 -8.385 1.00 0.36 O ATOM 1378 CB ARG A 248 -3.452 6.092 -6.813 1.00 0.25 C ATOM 1379 CG ARG A 248 -2.594 5.281 -7.774 1.00 0.28 C ATOM 1380 CD ARG A 248 -1.241 5.929 -8.023 1.00 0.27 C ATOM 1381 NE ARG A 248 -0.461 5.188 -9.015 1.00 1.21 N ATOM 1382 CZ ARG A 248 0.285 5.764 -9.960 1.00 1.50 C ATOM 1383 NH1 ARG A 248 0.360 7.085 -10.042 1.00 1.09 N ATOM 1384 NH2 ARG A 248 0.956 5.020 -10.831 1.00 2.49 N ATOM 0 H ARG A 248 -3.948 3.685 -6.187 1.00 0.18 H new ATOM 0 HA ARG A 248 -5.391 6.148 -5.930 1.00 0.22 H new ATOM 0 HB2 ARG A 248 -3.514 7.120 -7.169 1.00 0.25 H new ATOM 0 HB3 ARG A 248 -2.967 6.121 -5.837 1.00 0.25 H new ATOM 0 HG2 ARG A 248 -2.446 4.280 -7.370 1.00 0.28 H new ATOM 0 HG3 ARG A 248 -3.121 5.168 -8.722 1.00 0.28 H new ATOM 0 HD2 ARG A 248 -1.386 6.954 -8.365 1.00 0.27 H new ATOM 0 HD3 ARG A 248 -0.685 5.981 -7.087 1.00 0.27 H new ATOM 0 HE ARG A 248 -0.489 4.169 -8.982 1.00 1.21 H new ATOM 0 HH11 ARG A 248 -0.154 7.667 -9.381 1.00 1.09 H new ATOM 0 HH12 ARG A 248 0.932 7.519 -10.766 1.00 1.09 H new ATOM 0 HH21 ARG A 248 0.903 4.003 -10.780 1.00 2.49 H new ATOM 0 HH22 ARG A 248 1.525 5.466 -11.551 1.00 2.49 H new ATOM 1398 N LYS A 249 -5.833 4.462 -8.624 1.00 0.21 N ATOM 1399 CA LYS A 249 -6.653 4.417 -9.835 1.00 0.25 C ATOM 1400 C LYS A 249 -8.137 4.501 -9.491 1.00 0.20 C ATOM 1401 O LYS A 249 -8.927 5.090 -10.226 1.00 0.25 O ATOM 1402 CB LYS A 249 -6.396 3.135 -10.628 1.00 0.33 C ATOM 1403 CG LYS A 249 -5.049 3.091 -11.330 1.00 0.44 C ATOM 1404 CD LYS A 249 -4.876 1.788 -12.093 1.00 1.04 C ATOM 1405 CE LYS A 249 -5.825 1.707 -13.280 1.00 1.12 C ATOM 1406 NZ LYS A 249 -5.424 2.634 -14.371 1.00 1.32 N ATOM 0 H LYS A 249 -5.444 3.563 -8.338 1.00 0.21 H new ATOM 0 HA LYS A 249 -6.374 5.276 -10.445 1.00 0.25 H new ATOM 0 HB2 LYS A 249 -6.468 2.283 -9.952 1.00 0.33 H new ATOM 0 HB3 LYS A 249 -7.184 3.018 -11.372 1.00 0.33 H new ATOM 0 HG2 LYS A 249 -4.965 3.933 -12.017 1.00 0.44 H new ATOM 0 HG3 LYS A 249 -4.249 3.197 -10.597 1.00 0.44 H new ATOM 0 HD2 LYS A 249 -3.847 1.703 -12.442 1.00 1.04 H new ATOM 0 HD3 LYS A 249 -5.056 0.947 -11.424 1.00 1.04 H new ATOM 0 HE2 LYS A 249 -5.846 0.686 -13.660 1.00 1.12 H new ATOM 0 HE3 LYS A 249 -6.837 1.946 -12.953 1.00 1.12 H new ATOM 0 HZ1 LYS A 249 -6.010 2.455 -15.212 1.00 1.32 H new ATOM 0 HZ2 LYS A 249 -5.558 3.617 -14.058 1.00 1.32 H new ATOM 0 HZ3 LYS A 249 -4.423 2.480 -14.607 1.00 1.32 H new ATOM 1420 N TYR A 250 -8.502 3.937 -8.349 1.00 0.24 N ATOM 1421 CA TYR A 250 -9.908 3.768 -7.990 1.00 0.41 C ATOM 1422 C TYR A 250 -10.344 4.734 -6.904 1.00 0.49 C ATOM 1423 O TYR A 250 -11.180 4.411 -6.060 1.00 0.58 O ATOM 1424 CB TYR A 250 -10.205 2.334 -7.555 1.00 0.51 C ATOM 1425 CG TYR A 250 -10.547 1.401 -8.691 1.00 0.50 C ATOM 1426 CD1 TYR A 250 -9.546 0.846 -9.475 1.00 1.05 C ATOM 1427 CD2 TYR A 250 -11.865 1.084 -8.985 1.00 0.64 C ATOM 1428 CE1 TYR A 250 -9.848 0.000 -10.522 1.00 1.05 C ATOM 1429 CE2 TYR A 250 -12.174 0.236 -10.029 1.00 0.69 C ATOM 1430 CZ TYR A 250 -11.192 -0.328 -10.765 1.00 0.54 C ATOM 1431 OH TYR A 250 -11.472 -1.139 -11.843 1.00 0.59 O ATOM 0 H TYR A 250 -7.845 3.587 -7.652 1.00 0.24 H new ATOM 0 HA TYR A 250 -10.481 3.990 -8.890 1.00 0.41 H new ATOM 0 HB2 TYR A 250 -9.338 1.940 -7.025 1.00 0.51 H new ATOM 0 HB3 TYR A 250 -11.034 2.345 -6.847 1.00 0.51 H new ATOM 0 HD1 TYR A 250 -8.513 1.080 -9.262 1.00 1.05 H new ATOM 0 HD2 TYR A 250 -12.660 1.507 -8.389 1.00 0.64 H new ATOM 0 HE1 TYR A 250 -9.064 -0.404 -11.145 1.00 1.05 H new ATOM 0 HE2 TYR A 250 -13.207 0.022 -10.259 1.00 0.69 H new ATOM 0 HH TYR A 250 -12.439 -1.289 -11.897 1.00 0.59 H new ATOM 1441 N VAL A 251 -9.775 5.924 -6.935 1.00 0.55 N ATOM 1442 CA VAL A 251 -10.263 7.037 -6.149 1.00 0.76 C ATOM 1443 C VAL A 251 -10.143 8.294 -6.999 1.00 0.83 C ATOM 1444 O VAL A 251 -10.442 9.403 -6.563 1.00 1.07 O ATOM 1445 CB VAL A 251 -9.460 7.199 -4.839 1.00 1.13 C ATOM 1446 CG1 VAL A 251 -8.021 7.601 -5.131 1.00 0.86 C ATOM 1447 CG2 VAL A 251 -10.129 8.195 -3.898 1.00 1.95 C ATOM 0 H VAL A 251 -8.960 6.145 -7.507 1.00 0.55 H new ATOM 0 HA VAL A 251 -11.301 6.858 -5.868 1.00 0.76 H new ATOM 0 HB VAL A 251 -9.444 6.232 -4.336 1.00 1.13 H new ATOM 0 HG11 VAL A 251 -7.476 7.709 -4.193 1.00 0.86 H new ATOM 0 HG12 VAL A 251 -7.545 6.833 -5.741 1.00 0.86 H new ATOM 0 HG13 VAL A 251 -8.010 8.549 -5.668 1.00 0.86 H new ATOM 0 HG21 VAL A 251 -9.539 8.286 -2.986 1.00 1.95 H new ATOM 0 HG22 VAL A 251 -10.196 9.168 -4.386 1.00 1.95 H new ATOM 0 HG23 VAL A 251 -11.131 7.844 -3.649 1.00 1.95 H new ATOM 1457 N LEU A 252 -9.711 8.080 -8.246 1.00 1.23 N ATOM 1458 CA LEU A 252 -9.391 9.166 -9.165 1.00 2.17 C ATOM 1459 C LEU A 252 -8.310 10.061 -8.563 1.00 3.19 C ATOM 1460 O LEU A 252 -8.265 11.265 -8.815 1.00 3.99 O ATOM 1461 CB LEU A 252 -10.647 9.968 -9.517 1.00 2.05 C ATOM 1462 CG LEU A 252 -11.786 9.141 -10.121 1.00 2.25 C ATOM 1463 CD1 LEU A 252 -12.990 10.014 -10.422 1.00 2.35 C ATOM 1464 CD2 LEU A 252 -11.319 8.434 -11.382 1.00 2.64 C ATOM 0 H LEU A 252 -9.575 7.150 -8.642 1.00 1.23 H new ATOM 0 HA LEU A 252 -9.004 8.741 -10.091 1.00 2.17 H new ATOM 0 HB2 LEU A 252 -11.012 10.460 -8.615 1.00 2.05 H new ATOM 0 HB3 LEU A 252 -10.374 10.754 -10.221 1.00 2.05 H new ATOM 0 HG LEU A 252 -12.083 8.390 -9.389 1.00 2.25 H new ATOM 0 HD11 LEU A 252 -13.785 9.403 -10.850 1.00 2.35 H new ATOM 0 HD12 LEU A 252 -13.344 10.476 -9.500 1.00 2.35 H new ATOM 0 HD13 LEU A 252 -12.707 10.791 -11.132 1.00 2.35 H new ATOM 0 HD21 LEU A 252 -12.141 7.851 -11.798 1.00 2.64 H new ATOM 0 HD22 LEU A 252 -10.992 9.173 -12.113 1.00 2.64 H new ATOM 0 HD23 LEU A 252 -10.489 7.770 -11.141 1.00 2.64 H new ATOM 1476 N ALA A 253 -7.439 9.427 -7.770 1.00 3.24 N ATOM 1477 CA ALA A 253 -6.332 10.093 -7.086 1.00 4.18 C ATOM 1478 C ALA A 253 -6.809 11.246 -6.201 1.00 4.09 C ATOM 1479 O ALA A 253 -6.806 12.405 -6.617 1.00 4.94 O ATOM 1480 CB ALA A 253 -5.296 10.554 -8.095 1.00 4.92 C ATOM 0 H ALA A 253 -7.486 8.425 -7.585 1.00 3.24 H new ATOM 0 HA ALA A 253 -5.866 9.368 -6.418 1.00 4.18 H new ATOM 0 HB1 ALA A 253 -4.476 11.049 -7.574 1.00 4.92 H new ATOM 0 HB2 ALA A 253 -4.912 9.693 -8.641 1.00 4.92 H new ATOM 0 HB3 ALA A 253 -5.755 11.252 -8.795 1.00 4.92 H new ATOM 1486 N SER A 254 -7.211 10.901 -4.977 1.00 3.08 N ATOM 1487 CA SER A 254 -7.669 11.869 -3.980 1.00 2.81 C ATOM 1488 C SER A 254 -8.854 12.690 -4.489 1.00 3.53 C ATOM 1489 O SER A 254 -9.970 12.140 -4.560 1.00 3.77 O ATOM 1490 CB SER A 254 -6.522 12.795 -3.572 1.00 3.46 C ATOM 1491 OG SER A 254 -5.407 12.051 -3.120 1.00 3.67 O ATOM 1492 OXT SER A 254 -8.671 13.886 -4.794 1.00 4.31 O ATOM 0 H SER A 254 -7.228 9.936 -4.648 1.00 3.08 H new ATOM 0 HA SER A 254 -8.005 11.308 -3.108 1.00 2.81 H new ATOM 0 HB2 SER A 254 -6.231 13.415 -4.420 1.00 3.46 H new ATOM 0 HB3 SER A 254 -6.857 13.470 -2.784 1.00 3.46 H new ATOM 0 HG SER A 254 -4.875 11.758 -3.889 1.00 3.67 H new TER 1498 SER A 254