USER MOD reduce.3.24.130724 H: found=0, std=0, add=854, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 858 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 109 MET CE :methyl -169:sc= -2.17 (180deg=-2.44!) USER MOD Set 1.2: A 145 MET CE :methyl 160:sc= -0.882 (180deg=-1.85) USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 13 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.0867) USER MOD Single : A 17 SER OG : rot -59:sc= 0.203 USER MOD Single : A 21 LYS NZ :NH3+ 141:sc= -0.376 (180deg=-1.32!) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot -160:sc= -0.0269 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0.0196 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot -50:sc= 0.744 USER MOD Single : A 41 GLN : amide:sc= -1.17 K(o=-1.2,f=-0.19) USER MOD Single : A 42 ASN : amide:sc= -0.0513 K(o=-0.051,f=-1.5!) USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.428 USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 MET CE :methyl -160:sc= 0 (180deg=-0.28) USER MOD Single : A 72 MET CE :methyl -166:sc= -0.0805 (180deg=-0.632) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot -122:sc= -2.09! USER MOD Single : A 107 HIS : no HD1:sc= -0.0374 X(o=-0.037,f=-0.17) USER MOD Single : A 110 THR OG1 : rot -64:sc= -0.589! USER MOD Single : A 111 ASN : amide:sc= -0.19 X(o=-0.19,f=0) USER MOD Single : A 115 LYS NZ :NH3+ -128:sc= -0.725 (180deg=-2.49!) USER MOD Single : A 117 THR OG1 : rot 180:sc= 0.00215 USER MOD Single : A 124 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 135 GLN : amide:sc= -0.984 K(o=-0.98,f=-0.15) USER MOD Single : A 137 ASN : amide:sc= -0.387 X(o=-0.39,f=-0.46) USER MOD Single : A 138 TYR OH : rot 180:sc= 0 USER MOD Single : A 143 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 144 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 146 THR OG1 : rot 36:sc= -0.422 USER MOD ----------------------------------------------------------------- ATOM 105 N GLN A 8 14.138 2.159 -3.343 1.00 0.17 N ATOM 106 CA GLN A 8 12.822 2.548 -2.767 1.00 0.19 C ATOM 107 C GLN A 8 11.749 1.568 -3.244 1.00 0.18 C ATOM 108 O GLN A 8 10.855 1.205 -2.505 1.00 0.20 O ATOM 109 CB GLN A 8 12.462 3.970 -3.216 1.00 0.22 C ATOM 110 CG GLN A 8 13.275 4.987 -2.412 1.00 0.21 C ATOM 111 CD GLN A 8 12.947 6.401 -2.897 1.00 0.15 C ATOM 112 OE1 GLN A 8 12.885 6.648 -4.086 1.00 0.40 O ATOM 113 NE2 GLN A 8 12.736 7.347 -2.021 1.00 0.42 N ATOM 0 HA GLN A 8 12.879 2.521 -1.679 1.00 0.19 H new ATOM 0 HB2 GLN A 8 12.665 4.088 -4.280 1.00 0.22 H new ATOM 0 HB3 GLN A 8 11.396 4.148 -3.073 1.00 0.22 H new ATOM 0 HG2 GLN A 8 13.047 4.893 -1.350 1.00 0.21 H new ATOM 0 HG3 GLN A 8 14.341 4.790 -2.528 1.00 0.21 H new ATOM 0 HE21 GLN A 8 12.788 7.139 -1.024 1.00 0.42 H new ATOM 0 HE22 GLN A 8 12.519 8.293 -2.334 1.00 0.42 H new ATOM 122 N ILE A 9 11.829 1.131 -4.472 1.00 0.16 N ATOM 123 CA ILE A 9 10.810 0.172 -4.980 1.00 0.16 C ATOM 124 C ILE A 9 10.982 -1.167 -4.260 1.00 0.16 C ATOM 125 O ILE A 9 10.022 -1.855 -3.972 1.00 0.18 O ATOM 126 CB ILE A 9 10.997 -0.030 -6.487 1.00 0.14 C ATOM 127 CG1 ILE A 9 10.672 1.280 -7.213 1.00 0.16 C ATOM 128 CG2 ILE A 9 10.053 -1.133 -6.976 1.00 0.14 C ATOM 129 CD1 ILE A 9 11.063 1.162 -8.685 1.00 0.16 C ATOM 0 H ILE A 9 12.552 1.396 -5.141 1.00 0.16 H new ATOM 0 HA ILE A 9 9.811 0.566 -4.793 1.00 0.16 H new ATOM 0 HB ILE A 9 12.027 -0.319 -6.694 1.00 0.14 H new ATOM 0 HG12 ILE A 9 9.608 1.501 -7.126 1.00 0.16 H new ATOM 0 HG13 ILE A 9 11.209 2.107 -6.749 1.00 0.16 H new ATOM 0 HG21 ILE A 9 10.186 -1.277 -8.048 1.00 0.14 H new ATOM 0 HG22 ILE A 9 10.279 -2.063 -6.454 1.00 0.14 H new ATOM 0 HG23 ILE A 9 9.021 -0.845 -6.774 1.00 0.14 H new ATOM 0 HD11 ILE A 9 10.831 2.095 -9.199 1.00 0.16 H new ATOM 0 HD12 ILE A 9 12.131 0.961 -8.763 1.00 0.16 H new ATOM 0 HD13 ILE A 9 10.506 0.346 -9.145 1.00 0.16 H new ATOM 141 N ALA A 10 12.196 -1.541 -3.968 1.00 0.15 N ATOM 142 CA ALA A 10 12.426 -2.833 -3.267 1.00 0.17 C ATOM 143 C ALA A 10 11.960 -2.710 -1.813 1.00 0.19 C ATOM 144 O ALA A 10 11.296 -3.585 -1.297 1.00 0.25 O ATOM 145 CB ALA A 10 13.921 -3.190 -3.325 1.00 0.17 C ATOM 0 H ALA A 10 13.038 -1.008 -4.185 1.00 0.15 H new ATOM 0 HA ALA A 10 11.858 -3.626 -3.754 1.00 0.17 H new ATOM 0 HB1 ALA A 10 14.089 -4.137 -2.811 1.00 0.17 H new ATOM 0 HB2 ALA A 10 14.233 -3.281 -4.365 1.00 0.17 H new ATOM 0 HB3 ALA A 10 14.501 -2.406 -2.839 1.00 0.17 H new ATOM 151 N GLU A 11 12.287 -1.632 -1.148 1.00 0.23 N ATOM 152 CA GLU A 11 11.850 -1.472 0.265 1.00 0.25 C ATOM 153 C GLU A 11 10.348 -1.743 0.361 1.00 0.24 C ATOM 154 O GLU A 11 9.895 -2.509 1.188 1.00 0.25 O ATOM 155 CB GLU A 11 12.170 -0.023 0.720 1.00 0.24 C ATOM 156 CG GLU A 11 13.068 -0.036 1.958 1.00 0.81 C ATOM 157 CD GLU A 11 13.470 1.397 2.310 1.00 1.03 C ATOM 158 OE1 GLU A 11 12.596 2.249 2.327 1.00 1.04 O ATOM 159 OE2 GLU A 11 14.643 1.618 2.557 1.00 1.93 O ATOM 0 H GLU A 11 12.836 -0.859 -1.524 1.00 0.23 H new ATOM 0 HA GLU A 11 12.374 -2.177 0.910 1.00 0.25 H new ATOM 0 HB2 GLU A 11 12.663 0.518 -0.088 1.00 0.24 H new ATOM 0 HB3 GLU A 11 11.244 0.508 0.941 1.00 0.24 H new ATOM 0 HG2 GLU A 11 12.543 -0.494 2.796 1.00 0.81 H new ATOM 0 HG3 GLU A 11 13.956 -0.639 1.770 1.00 0.81 H new ATOM 166 N PHE A 12 9.576 -1.119 -0.477 1.00 0.24 N ATOM 167 CA PHE A 12 8.109 -1.337 -0.434 1.00 0.24 C ATOM 168 C PHE A 12 7.792 -2.770 -0.858 1.00 0.23 C ATOM 169 O PHE A 12 6.792 -3.331 -0.461 1.00 0.19 O ATOM 170 CB PHE A 12 7.413 -0.354 -1.384 1.00 0.25 C ATOM 171 CG PHE A 12 7.985 1.051 -1.247 1.00 0.27 C ATOM 172 CD1 PHE A 12 8.491 1.520 -0.017 1.00 0.52 C ATOM 173 CD2 PHE A 12 7.993 1.899 -2.367 1.00 0.29 C ATOM 174 CE1 PHE A 12 8.993 2.822 0.078 1.00 0.57 C ATOM 175 CE2 PHE A 12 8.499 3.197 -2.262 1.00 0.38 C ATOM 176 CZ PHE A 12 8.998 3.659 -1.041 1.00 0.43 C ATOM 0 H PHE A 12 9.898 -0.466 -1.191 1.00 0.24 H new ATOM 0 HA PHE A 12 7.750 -1.172 0.582 1.00 0.24 H new ATOM 0 HB2 PHE A 12 7.528 -0.696 -2.412 1.00 0.25 H new ATOM 0 HB3 PHE A 12 6.344 -0.336 -1.172 1.00 0.25 H new ATOM 0 HD1 PHE A 12 8.491 0.875 0.849 1.00 0.52 H new ATOM 0 HD2 PHE A 12 7.607 1.546 -3.312 1.00 0.29 H new ATOM 0 HE1 PHE A 12 9.378 3.182 1.020 1.00 0.57 H new ATOM 0 HE2 PHE A 12 8.505 3.845 -3.126 1.00 0.38 H new ATOM 0 HZ PHE A 12 9.388 4.663 -0.962 1.00 0.43 H new ATOM 186 N LYS A 13 8.630 -3.375 -1.652 1.00 0.30 N ATOM 187 CA LYS A 13 8.352 -4.773 -2.077 1.00 0.31 C ATOM 188 C LYS A 13 8.505 -5.705 -0.874 1.00 0.32 C ATOM 189 O LYS A 13 7.705 -6.595 -0.669 1.00 0.31 O ATOM 190 CB LYS A 13 9.324 -5.192 -3.186 1.00 0.30 C ATOM 191 CG LYS A 13 9.047 -6.659 -3.620 1.00 0.28 C ATOM 192 CD LYS A 13 9.090 -6.784 -5.154 1.00 0.25 C ATOM 193 CE LYS A 13 7.750 -6.331 -5.749 1.00 0.49 C ATOM 194 NZ LYS A 13 6.742 -7.416 -5.581 1.00 2.00 N ATOM 0 H LYS A 13 9.488 -2.966 -2.022 1.00 0.30 H new ATOM 0 HA LYS A 13 7.334 -4.836 -2.462 1.00 0.31 H new ATOM 0 HB2 LYS A 13 9.218 -4.526 -4.042 1.00 0.30 H new ATOM 0 HB3 LYS A 13 10.351 -5.098 -2.834 1.00 0.30 H new ATOM 0 HG2 LYS A 13 9.788 -7.323 -3.174 1.00 0.28 H new ATOM 0 HG3 LYS A 13 8.072 -6.976 -3.250 1.00 0.28 H new ATOM 0 HD2 LYS A 13 9.901 -6.176 -5.555 1.00 0.25 H new ATOM 0 HD3 LYS A 13 9.295 -7.816 -5.439 1.00 0.25 H new ATOM 0 HE2 LYS A 13 7.408 -5.422 -5.254 1.00 0.49 H new ATOM 0 HE3 LYS A 13 7.871 -6.092 -6.806 1.00 0.49 H new ATOM 0 HZ1 LYS A 13 5.916 -7.218 -6.181 1.00 2.00 H new ATOM 0 HZ2 LYS A 13 7.162 -8.326 -5.859 1.00 2.00 H new ATOM 0 HZ3 LYS A 13 6.444 -7.462 -4.586 1.00 2.00 H new ATOM 208 N GLU A 14 9.516 -5.510 -0.067 1.00 0.34 N ATOM 209 CA GLU A 14 9.677 -6.398 1.124 1.00 0.34 C ATOM 210 C GLU A 14 8.482 -6.198 2.051 1.00 0.31 C ATOM 211 O GLU A 14 7.896 -7.140 2.545 1.00 0.34 O ATOM 212 CB GLU A 14 10.963 -6.051 1.883 1.00 0.36 C ATOM 213 CG GLU A 14 12.124 -5.886 0.902 1.00 0.40 C ATOM 214 CD GLU A 14 13.455 -6.019 1.648 1.00 1.14 C ATOM 215 OE1 GLU A 14 13.813 -5.089 2.352 1.00 2.30 O ATOM 216 OE2 GLU A 14 14.092 -7.049 1.503 1.00 0.87 O ATOM 0 H GLU A 14 10.227 -4.787 -0.177 1.00 0.34 H new ATOM 0 HA GLU A 14 9.734 -7.434 0.791 1.00 0.34 H new ATOM 0 HB2 GLU A 14 10.823 -5.131 2.450 1.00 0.36 H new ATOM 0 HB3 GLU A 14 11.193 -6.837 2.602 1.00 0.36 H new ATOM 0 HG2 GLU A 14 12.059 -6.640 0.117 1.00 0.40 H new ATOM 0 HG3 GLU A 14 12.065 -4.913 0.415 1.00 0.40 H new ATOM 223 N ALA A 15 8.127 -4.970 2.290 1.00 0.24 N ATOM 224 CA ALA A 15 6.974 -4.686 3.192 1.00 0.21 C ATOM 225 C ALA A 15 5.678 -5.203 2.557 1.00 0.19 C ATOM 226 O ALA A 15 4.766 -5.625 3.242 1.00 0.18 O ATOM 227 CB ALA A 15 6.868 -3.175 3.418 1.00 0.21 C ATOM 0 H ALA A 15 8.585 -4.146 1.900 1.00 0.24 H new ATOM 0 HA ALA A 15 7.129 -5.189 4.147 1.00 0.21 H new ATOM 0 HB1 ALA A 15 6.026 -2.964 4.077 1.00 0.21 H new ATOM 0 HB2 ALA A 15 7.787 -2.810 3.876 1.00 0.21 H new ATOM 0 HB3 ALA A 15 6.715 -2.674 2.462 1.00 0.21 H new ATOM 233 N PHE A 16 5.588 -5.167 1.257 1.00 0.21 N ATOM 234 CA PHE A 16 4.348 -5.648 0.575 1.00 0.19 C ATOM 235 C PHE A 16 4.281 -7.179 0.608 1.00 0.17 C ATOM 236 O PHE A 16 3.223 -7.756 0.755 1.00 0.12 O ATOM 237 CB PHE A 16 4.366 -5.173 -0.878 1.00 0.22 C ATOM 238 CG PHE A 16 3.003 -5.357 -1.494 1.00 0.22 C ATOM 239 CD1 PHE A 16 2.054 -4.327 -1.418 1.00 0.21 C ATOM 240 CD2 PHE A 16 2.691 -6.547 -2.159 1.00 0.22 C ATOM 241 CE1 PHE A 16 0.796 -4.493 -2.004 1.00 0.20 C ATOM 242 CE2 PHE A 16 1.433 -6.709 -2.749 1.00 0.21 C ATOM 243 CZ PHE A 16 0.488 -5.682 -2.670 1.00 0.20 C ATOM 0 H PHE A 16 6.319 -4.825 0.634 1.00 0.21 H new ATOM 0 HA PHE A 16 3.476 -5.247 1.092 1.00 0.19 H new ATOM 0 HB2 PHE A 16 4.657 -4.123 -0.923 1.00 0.22 H new ATOM 0 HB3 PHE A 16 5.109 -5.734 -1.444 1.00 0.22 H new ATOM 0 HD1 PHE A 16 2.295 -3.407 -0.907 1.00 0.21 H new ATOM 0 HD2 PHE A 16 3.421 -7.341 -2.217 1.00 0.22 H new ATOM 0 HE1 PHE A 16 0.062 -3.703 -1.942 1.00 0.20 H new ATOM 0 HE2 PHE A 16 1.192 -7.627 -3.265 1.00 0.21 H new ATOM 0 HZ PHE A 16 -0.483 -5.808 -3.125 1.00 0.20 H new ATOM 253 N SER A 17 5.394 -7.836 0.460 1.00 0.27 N ATOM 254 CA SER A 17 5.387 -9.327 0.469 1.00 0.25 C ATOM 255 C SER A 17 5.097 -9.846 1.881 1.00 0.16 C ATOM 256 O SER A 17 4.482 -10.878 2.056 1.00 0.13 O ATOM 257 CB SER A 17 6.757 -9.834 0.017 1.00 0.36 C ATOM 258 OG SER A 17 7.625 -9.905 1.141 1.00 1.47 O ATOM 0 H SER A 17 6.311 -7.407 0.333 1.00 0.27 H new ATOM 0 HA SER A 17 4.611 -9.686 -0.207 1.00 0.25 H new ATOM 0 HB2 SER A 17 6.660 -10.817 -0.445 1.00 0.36 H new ATOM 0 HB3 SER A 17 7.174 -9.167 -0.738 1.00 0.36 H new ATOM 0 HG SER A 17 7.704 -9.018 1.550 1.00 1.47 H new ATOM 264 N LEU A 18 5.548 -9.150 2.886 1.00 0.20 N ATOM 265 CA LEU A 18 5.310 -9.618 4.284 1.00 0.15 C ATOM 266 C LEU A 18 3.831 -9.978 4.484 1.00 0.08 C ATOM 267 O LEU A 18 3.497 -10.729 5.378 1.00 0.10 O ATOM 268 CB LEU A 18 5.703 -8.501 5.275 1.00 0.21 C ATOM 269 CG LEU A 18 7.199 -8.590 5.639 1.00 0.26 C ATOM 270 CD1 LEU A 18 7.580 -7.374 6.494 1.00 0.32 C ATOM 271 CD2 LEU A 18 7.486 -9.888 6.434 1.00 0.25 C ATOM 0 H LEU A 18 6.071 -8.278 2.803 1.00 0.20 H new ATOM 0 HA LEU A 18 5.917 -10.505 4.465 1.00 0.15 H new ATOM 0 HB2 LEU A 18 5.489 -7.527 4.835 1.00 0.21 H new ATOM 0 HB3 LEU A 18 5.099 -8.582 6.179 1.00 0.21 H new ATOM 0 HG LEU A 18 7.788 -8.603 4.722 1.00 0.26 H new ATOM 0 HD11 LEU A 18 8.637 -7.430 6.755 1.00 0.32 H new ATOM 0 HD12 LEU A 18 7.393 -6.460 5.930 1.00 0.32 H new ATOM 0 HD13 LEU A 18 6.981 -7.367 7.405 1.00 0.32 H new ATOM 0 HD21 LEU A 18 8.546 -9.935 6.683 1.00 0.25 H new ATOM 0 HD22 LEU A 18 6.897 -9.890 7.351 1.00 0.25 H new ATOM 0 HD23 LEU A 18 7.217 -10.753 5.828 1.00 0.25 H new ATOM 283 N PHE A 19 2.943 -9.433 3.682 1.00 0.06 N ATOM 284 CA PHE A 19 1.480 -9.729 3.856 1.00 0.04 C ATOM 285 C PHE A 19 0.887 -10.322 2.576 1.00 0.09 C ATOM 286 O PHE A 19 -0.308 -10.286 2.365 1.00 0.12 O ATOM 287 CB PHE A 19 0.764 -8.429 4.201 1.00 0.04 C ATOM 288 CG PHE A 19 1.394 -7.854 5.442 1.00 0.08 C ATOM 289 CD1 PHE A 19 2.570 -7.101 5.343 1.00 0.10 C ATOM 290 CD2 PHE A 19 0.815 -8.086 6.692 1.00 0.12 C ATOM 291 CE1 PHE A 19 3.165 -6.578 6.496 1.00 0.14 C ATOM 292 CE2 PHE A 19 1.407 -7.564 7.847 1.00 0.16 C ATOM 293 CZ PHE A 19 2.584 -6.810 7.749 1.00 0.17 C ATOM 0 H PHE A 19 3.167 -8.798 2.916 1.00 0.06 H new ATOM 0 HA PHE A 19 1.352 -10.459 4.655 1.00 0.04 H new ATOM 0 HB2 PHE A 19 0.841 -7.723 3.374 1.00 0.04 H new ATOM 0 HB3 PHE A 19 -0.298 -8.613 4.365 1.00 0.04 H new ATOM 0 HD1 PHE A 19 3.018 -6.924 4.376 1.00 0.10 H new ATOM 0 HD2 PHE A 19 -0.091 -8.669 6.767 1.00 0.12 H new ATOM 0 HE1 PHE A 19 4.072 -5.996 6.420 1.00 0.14 H new ATOM 0 HE2 PHE A 19 0.958 -7.742 8.813 1.00 0.16 H new ATOM 0 HZ PHE A 19 3.043 -6.408 8.640 1.00 0.17 H new ATOM 303 N ASP A 20 1.707 -10.889 1.730 1.00 0.12 N ATOM 304 CA ASP A 20 1.189 -11.506 0.468 1.00 0.19 C ATOM 305 C ASP A 20 1.087 -13.025 0.666 1.00 0.22 C ATOM 306 O ASP A 20 1.847 -13.791 0.107 1.00 0.25 O ATOM 307 CB ASP A 20 2.157 -11.205 -0.681 1.00 0.24 C ATOM 308 CG ASP A 20 1.623 -11.822 -1.975 1.00 0.34 C ATOM 309 OD1 ASP A 20 0.453 -11.625 -2.263 1.00 1.07 O ATOM 310 OD2 ASP A 20 2.392 -12.478 -2.655 1.00 1.20 O ATOM 0 H ASP A 20 2.717 -10.953 1.857 1.00 0.12 H new ATOM 0 HA ASP A 20 0.208 -11.096 0.229 1.00 0.19 H new ATOM 0 HB2 ASP A 20 2.272 -10.128 -0.800 1.00 0.24 H new ATOM 0 HB3 ASP A 20 3.144 -11.608 -0.454 1.00 0.24 H new ATOM 315 N LYS A 21 0.159 -13.461 1.481 1.00 0.25 N ATOM 316 CA LYS A 21 0.006 -14.924 1.753 1.00 0.31 C ATOM 317 C LYS A 21 -0.669 -15.632 0.578 1.00 0.39 C ATOM 318 O LYS A 21 -0.923 -16.820 0.621 1.00 0.43 O ATOM 319 CB LYS A 21 -0.863 -15.107 2.993 1.00 0.35 C ATOM 320 CG LYS A 21 -0.225 -14.401 4.199 1.00 0.30 C ATOM 321 CD LYS A 21 0.888 -15.269 4.797 1.00 0.31 C ATOM 322 CE LYS A 21 1.349 -14.668 6.125 1.00 0.31 C ATOM 323 NZ LYS A 21 0.178 -14.516 7.037 1.00 1.57 N ATOM 0 H LYS A 21 -0.504 -12.862 1.973 1.00 0.25 H new ATOM 0 HA LYS A 21 0.996 -15.354 1.903 1.00 0.31 H new ATOM 0 HB2 LYS A 21 -1.859 -14.702 2.811 1.00 0.35 H new ATOM 0 HB3 LYS A 21 -0.985 -16.169 3.207 1.00 0.35 H new ATOM 0 HG2 LYS A 21 0.182 -13.438 3.892 1.00 0.30 H new ATOM 0 HG3 LYS A 21 -0.984 -14.200 4.955 1.00 0.30 H new ATOM 0 HD2 LYS A 21 0.527 -16.286 4.952 1.00 0.31 H new ATOM 0 HD3 LYS A 21 1.727 -15.331 4.104 1.00 0.31 H new ATOM 0 HE2 LYS A 21 2.101 -15.310 6.585 1.00 0.31 H new ATOM 0 HE3 LYS A 21 1.818 -13.699 5.954 1.00 0.31 H new ATOM 0 HZ1 LYS A 21 0.461 -14.757 8.008 1.00 1.57 H new ATOM 0 HZ2 LYS A 21 -0.159 -13.532 7.009 1.00 1.57 H new ATOM 0 HZ3 LYS A 21 -0.586 -15.152 6.731 1.00 1.57 H new ATOM 337 N ASP A 22 -0.966 -14.916 -0.459 1.00 0.42 N ATOM 338 CA ASP A 22 -1.640 -15.535 -1.645 1.00 0.50 C ATOM 339 C ASP A 22 -0.605 -15.828 -2.735 1.00 0.47 C ATOM 340 O ASP A 22 -0.939 -16.286 -3.809 1.00 0.53 O ATOM 341 CB ASP A 22 -2.683 -14.561 -2.196 1.00 0.58 C ATOM 342 CG ASP A 22 -3.854 -14.460 -1.217 1.00 0.59 C ATOM 343 OD1 ASP A 22 -4.621 -15.406 -1.141 1.00 1.43 O ATOM 344 OD2 ASP A 22 -3.964 -13.436 -0.562 1.00 1.37 O ATOM 0 H ASP A 22 -0.773 -13.918 -0.547 1.00 0.42 H new ATOM 0 HA ASP A 22 -2.121 -16.465 -1.341 1.00 0.50 H new ATOM 0 HB2 ASP A 22 -2.235 -13.579 -2.346 1.00 0.58 H new ATOM 0 HB3 ASP A 22 -3.037 -14.902 -3.169 1.00 0.58 H new ATOM 349 N GLY A 23 0.649 -15.568 -2.472 1.00 0.40 N ATOM 350 CA GLY A 23 1.695 -15.835 -3.500 1.00 0.38 C ATOM 351 C GLY A 23 1.255 -15.230 -4.831 1.00 0.47 C ATOM 352 O GLY A 23 1.805 -15.525 -5.874 1.00 0.55 O ATOM 0 H GLY A 23 0.992 -15.183 -1.592 1.00 0.40 H new ATOM 0 HA2 GLY A 23 2.647 -15.405 -3.188 1.00 0.38 H new ATOM 0 HA3 GLY A 23 1.850 -16.908 -3.608 1.00 0.38 H new ATOM 356 N ASP A 24 0.261 -14.384 -4.798 1.00 0.46 N ATOM 357 CA ASP A 24 -0.238 -13.746 -6.056 1.00 0.54 C ATOM 358 C ASP A 24 0.339 -12.334 -6.170 1.00 0.48 C ATOM 359 O ASP A 24 0.089 -11.629 -7.129 1.00 0.56 O ATOM 360 CB ASP A 24 -1.767 -13.664 -6.019 1.00 0.59 C ATOM 361 CG ASP A 24 -2.279 -13.090 -7.341 1.00 0.77 C ATOM 362 OD1 ASP A 24 -1.782 -13.503 -8.376 1.00 1.46 O ATOM 363 OD2 ASP A 24 -3.159 -12.246 -7.297 1.00 1.23 O ATOM 0 H ASP A 24 -0.231 -14.104 -3.950 1.00 0.46 H new ATOM 0 HA ASP A 24 0.074 -14.343 -6.913 1.00 0.54 H new ATOM 0 HB2 ASP A 24 -2.191 -14.654 -5.852 1.00 0.59 H new ATOM 0 HB3 ASP A 24 -2.088 -13.035 -5.189 1.00 0.59 H new ATOM 368 N GLY A 25 1.112 -11.916 -5.207 1.00 0.36 N ATOM 369 CA GLY A 25 1.702 -10.552 -5.277 1.00 0.35 C ATOM 370 C GLY A 25 0.632 -9.506 -4.933 1.00 0.30 C ATOM 371 O GLY A 25 0.672 -8.398 -5.427 1.00 0.32 O ATOM 0 H GLY A 25 1.359 -12.457 -4.379 1.00 0.36 H new ATOM 0 HA2 GLY A 25 2.539 -10.472 -4.583 1.00 0.35 H new ATOM 0 HA3 GLY A 25 2.097 -10.367 -6.276 1.00 0.35 H new ATOM 375 N THR A 26 -0.331 -9.838 -4.089 1.00 0.24 N ATOM 376 CA THR A 26 -1.394 -8.845 -3.726 1.00 0.20 C ATOM 377 C THR A 26 -1.708 -8.930 -2.229 1.00 0.14 C ATOM 378 O THR A 26 -1.336 -9.871 -1.557 1.00 0.12 O ATOM 379 CB THR A 26 -2.672 -9.132 -4.516 1.00 0.24 C ATOM 380 OG1 THR A 26 -3.219 -10.373 -4.095 1.00 0.24 O ATOM 381 CG2 THR A 26 -2.356 -9.191 -6.011 1.00 0.28 C ATOM 0 H THR A 26 -0.421 -10.750 -3.642 1.00 0.24 H new ATOM 0 HA THR A 26 -1.029 -7.847 -3.967 1.00 0.20 H new ATOM 0 HB THR A 26 -3.394 -8.336 -4.335 1.00 0.24 H new ATOM 0 HG1 THR A 26 -4.039 -10.557 -4.599 1.00 0.24 H new ATOM 0 HG21 THR A 26 -3.270 -9.396 -6.568 1.00 0.28 H new ATOM 0 HG22 THR A 26 -1.941 -8.236 -6.333 1.00 0.28 H new ATOM 0 HG23 THR A 26 -1.631 -9.983 -6.199 1.00 0.28 H new ATOM 389 N ILE A 27 -2.403 -7.948 -1.709 1.00 0.13 N ATOM 390 CA ILE A 27 -2.768 -7.947 -0.259 1.00 0.08 C ATOM 391 C ILE A 27 -4.200 -7.426 -0.111 1.00 0.10 C ATOM 392 O ILE A 27 -4.732 -6.801 -1.007 1.00 0.16 O ATOM 393 CB ILE A 27 -1.806 -7.037 0.518 1.00 0.05 C ATOM 394 CG1 ILE A 27 -1.876 -5.606 -0.042 1.00 0.08 C ATOM 395 CG2 ILE A 27 -0.376 -7.574 0.379 1.00 0.06 C ATOM 396 CD1 ILE A 27 -0.974 -4.683 0.780 1.00 0.13 C ATOM 0 H ILE A 27 -2.736 -7.139 -2.233 1.00 0.13 H new ATOM 0 HA ILE A 27 -2.698 -8.959 0.139 1.00 0.08 H new ATOM 0 HB ILE A 27 -2.091 -7.023 1.570 1.00 0.05 H new ATOM 0 HG12 ILE A 27 -1.564 -5.599 -1.086 1.00 0.08 H new ATOM 0 HG13 ILE A 27 -2.904 -5.245 -0.014 1.00 0.08 H new ATOM 0 HG21 ILE A 27 0.310 -6.930 0.930 1.00 0.06 H new ATOM 0 HG22 ILE A 27 -0.326 -8.586 0.782 1.00 0.06 H new ATOM 0 HG23 ILE A 27 -0.094 -7.589 -0.674 1.00 0.06 H new ATOM 0 HD11 ILE A 27 -1.027 -3.671 0.379 1.00 0.13 H new ATOM 0 HD12 ILE A 27 -1.306 -4.680 1.818 1.00 0.13 H new ATOM 0 HD13 ILE A 27 0.055 -5.040 0.729 1.00 0.13 H new ATOM 408 N THR A 28 -4.829 -7.664 1.008 1.00 0.10 N ATOM 409 CA THR A 28 -6.223 -7.168 1.194 1.00 0.13 C ATOM 410 C THR A 28 -6.203 -5.752 1.766 1.00 0.08 C ATOM 411 O THR A 28 -5.202 -5.288 2.275 1.00 0.08 O ATOM 412 CB THR A 28 -6.967 -8.067 2.173 1.00 0.20 C ATOM 413 OG1 THR A 28 -6.695 -7.640 3.503 1.00 0.21 O ATOM 414 CG2 THR A 28 -6.513 -9.513 1.999 1.00 0.24 C ATOM 0 H THR A 28 -4.440 -8.178 1.798 1.00 0.10 H new ATOM 0 HA THR A 28 -6.722 -7.173 0.225 1.00 0.13 H new ATOM 0 HB THR A 28 -8.038 -8.004 1.978 1.00 0.20 H new ATOM 0 HG1 THR A 28 -6.892 -8.369 4.127 1.00 0.21 H new ATOM 0 HG21 THR A 28 -7.049 -10.150 2.702 1.00 0.24 H new ATOM 0 HG22 THR A 28 -6.723 -9.840 0.981 1.00 0.24 H new ATOM 0 HG23 THR A 28 -5.442 -9.584 2.189 1.00 0.24 H new ATOM 422 N THR A 29 -7.314 -5.075 1.706 1.00 0.11 N ATOM 423 CA THR A 29 -7.382 -3.705 2.265 1.00 0.06 C ATOM 424 C THR A 29 -7.217 -3.780 3.782 1.00 0.11 C ATOM 425 O THR A 29 -6.698 -2.877 4.410 1.00 0.12 O ATOM 426 CB THR A 29 -8.750 -3.099 1.940 1.00 0.04 C ATOM 427 OG1 THR A 29 -9.762 -4.066 2.195 1.00 0.04 O ATOM 428 CG2 THR A 29 -8.806 -2.685 0.470 1.00 0.05 C ATOM 0 H THR A 29 -8.181 -5.417 1.291 1.00 0.11 H new ATOM 0 HA THR A 29 -6.593 -3.088 1.835 1.00 0.06 H new ATOM 0 HB THR A 29 -8.909 -2.219 2.564 1.00 0.04 H new ATOM 0 HG1 THR A 29 -10.640 -3.682 1.990 1.00 0.04 H new ATOM 0 HG21 THR A 29 -9.783 -2.255 0.250 1.00 0.05 H new ATOM 0 HG22 THR A 29 -8.031 -1.945 0.271 1.00 0.05 H new ATOM 0 HG23 THR A 29 -8.644 -3.559 -0.161 1.00 0.05 H new ATOM 436 N LYS A 30 -7.663 -4.851 4.372 1.00 0.16 N ATOM 437 CA LYS A 30 -7.549 -4.992 5.851 1.00 0.22 C ATOM 438 C LYS A 30 -6.079 -4.954 6.265 1.00 0.22 C ATOM 439 O LYS A 30 -5.750 -4.568 7.370 1.00 0.24 O ATOM 440 CB LYS A 30 -8.168 -6.320 6.284 1.00 0.28 C ATOM 441 CG LYS A 30 -9.663 -6.317 5.958 1.00 0.34 C ATOM 442 CD LYS A 30 -10.291 -7.633 6.424 1.00 0.70 C ATOM 443 CE LYS A 30 -11.815 -7.511 6.383 1.00 0.83 C ATOM 444 NZ LYS A 30 -12.426 -8.755 6.930 1.00 1.45 N ATOM 0 H LYS A 30 -8.103 -5.638 3.894 1.00 0.16 H new ATOM 0 HA LYS A 30 -8.077 -4.169 6.332 1.00 0.22 H new ATOM 0 HB2 LYS A 30 -7.675 -7.147 5.773 1.00 0.28 H new ATOM 0 HB3 LYS A 30 -8.018 -6.472 7.353 1.00 0.28 H new ATOM 0 HG2 LYS A 30 -10.151 -5.475 6.449 1.00 0.34 H new ATOM 0 HG3 LYS A 30 -9.812 -6.191 4.886 1.00 0.34 H new ATOM 0 HD2 LYS A 30 -9.963 -8.452 5.784 1.00 0.70 H new ATOM 0 HD3 LYS A 30 -9.961 -7.868 7.436 1.00 0.70 H new ATOM 0 HE2 LYS A 30 -12.138 -6.648 6.965 1.00 0.83 H new ATOM 0 HE3 LYS A 30 -12.150 -7.348 5.359 1.00 0.83 H new ATOM 0 HZ1 LYS A 30 -13.462 -8.674 6.903 1.00 1.45 H new ATOM 0 HZ2 LYS A 30 -12.127 -9.570 6.357 1.00 1.45 H new ATOM 0 HZ3 LYS A 30 -12.115 -8.891 7.913 1.00 1.45 H new ATOM 458 N GLU A 31 -5.191 -5.354 5.394 1.00 0.19 N ATOM 459 CA GLU A 31 -3.731 -5.347 5.746 1.00 0.18 C ATOM 460 C GLU A 31 -3.053 -4.123 5.132 1.00 0.16 C ATOM 461 O GLU A 31 -1.844 -4.024 5.110 1.00 0.17 O ATOM 462 CB GLU A 31 -3.061 -6.609 5.194 1.00 0.17 C ATOM 463 CG GLU A 31 -3.790 -7.854 5.711 1.00 0.18 C ATOM 464 CD GLU A 31 -3.346 -9.074 4.903 1.00 0.21 C ATOM 465 OE1 GLU A 31 -3.107 -8.922 3.716 1.00 0.20 O ATOM 466 OE2 GLU A 31 -3.253 -10.143 5.486 1.00 0.48 O ATOM 0 H GLU A 31 -5.408 -5.686 4.454 1.00 0.19 H new ATOM 0 HA GLU A 31 -3.632 -5.317 6.831 1.00 0.18 H new ATOM 0 HB2 GLU A 31 -3.078 -6.593 4.104 1.00 0.17 H new ATOM 0 HB3 GLU A 31 -2.014 -6.638 5.496 1.00 0.17 H new ATOM 0 HG2 GLU A 31 -3.571 -8.005 6.768 1.00 0.18 H new ATOM 0 HG3 GLU A 31 -4.868 -7.720 5.625 1.00 0.18 H new ATOM 473 N LEU A 32 -3.812 -3.190 4.634 1.00 0.14 N ATOM 474 CA LEU A 32 -3.188 -1.984 4.025 1.00 0.14 C ATOM 475 C LEU A 32 -2.563 -1.122 5.125 1.00 0.18 C ATOM 476 O LEU A 32 -1.417 -0.725 5.037 1.00 0.18 O ATOM 477 CB LEU A 32 -4.254 -1.182 3.271 1.00 0.14 C ATOM 478 CG LEU A 32 -3.671 0.146 2.763 1.00 0.14 C ATOM 479 CD1 LEU A 32 -2.394 -0.115 1.951 1.00 0.13 C ATOM 480 CD2 LEU A 32 -4.707 0.847 1.877 1.00 0.13 C ATOM 0 H LEU A 32 -4.832 -3.209 4.622 1.00 0.14 H new ATOM 0 HA LEU A 32 -2.410 -2.288 3.325 1.00 0.14 H new ATOM 0 HB2 LEU A 32 -4.630 -1.766 2.431 1.00 0.14 H new ATOM 0 HB3 LEU A 32 -5.102 -0.986 3.927 1.00 0.14 H new ATOM 0 HG LEU A 32 -3.425 0.779 3.615 1.00 0.14 H new ATOM 0 HD11 LEU A 32 -1.989 0.832 1.596 1.00 0.13 H new ATOM 0 HD12 LEU A 32 -1.657 -0.611 2.582 1.00 0.13 H new ATOM 0 HD13 LEU A 32 -2.629 -0.752 1.098 1.00 0.13 H new ATOM 0 HD21 LEU A 32 -4.297 1.790 1.514 1.00 0.13 H new ATOM 0 HD22 LEU A 32 -4.952 0.208 1.029 1.00 0.13 H new ATOM 0 HD23 LEU A 32 -5.609 1.042 2.457 1.00 0.13 H new ATOM 492 N GLY A 33 -3.301 -0.827 6.159 1.00 0.21 N ATOM 493 CA GLY A 33 -2.741 0.011 7.254 1.00 0.25 C ATOM 494 C GLY A 33 -1.584 -0.727 7.928 1.00 0.24 C ATOM 495 O GLY A 33 -0.692 -0.119 8.482 1.00 0.26 O ATOM 0 H GLY A 33 -4.266 -1.130 6.292 1.00 0.21 H new ATOM 0 HA2 GLY A 33 -2.394 0.964 6.854 1.00 0.25 H new ATOM 0 HA3 GLY A 33 -3.517 0.236 7.986 1.00 0.25 H new ATOM 499 N THR A 34 -1.586 -2.032 7.890 1.00 0.22 N ATOM 500 CA THR A 34 -0.479 -2.789 8.540 1.00 0.21 C ATOM 501 C THR A 34 0.804 -2.628 7.725 1.00 0.20 C ATOM 502 O THR A 34 1.876 -2.455 8.269 1.00 0.22 O ATOM 503 CB THR A 34 -0.855 -4.272 8.629 1.00 0.19 C ATOM 504 OG1 THR A 34 -2.205 -4.391 9.053 1.00 0.21 O ATOM 505 CG2 THR A 34 0.061 -4.975 9.635 1.00 0.16 C ATOM 0 H THR A 34 -2.301 -2.603 7.440 1.00 0.22 H new ATOM 0 HA THR A 34 -0.315 -2.398 9.544 1.00 0.21 H new ATOM 0 HB THR A 34 -0.738 -4.736 7.650 1.00 0.19 H new ATOM 0 HG1 THR A 34 -2.448 -5.339 9.109 1.00 0.21 H new ATOM 0 HG21 THR A 34 -0.208 -6.029 9.697 1.00 0.16 H new ATOM 0 HG22 THR A 34 1.097 -4.883 9.309 1.00 0.16 H new ATOM 0 HG23 THR A 34 -0.053 -4.513 10.616 1.00 0.16 H new ATOM 513 N VAL A 35 0.708 -2.673 6.426 1.00 0.18 N ATOM 514 CA VAL A 35 1.931 -2.511 5.590 1.00 0.18 C ATOM 515 C VAL A 35 2.463 -1.088 5.765 1.00 0.20 C ATOM 516 O VAL A 35 3.630 -0.878 6.041 1.00 0.24 O ATOM 517 CB VAL A 35 1.586 -2.759 4.120 1.00 0.16 C ATOM 518 CG1 VAL A 35 2.822 -2.510 3.252 1.00 0.17 C ATOM 519 CG2 VAL A 35 1.134 -4.210 3.944 1.00 0.13 C ATOM 0 H VAL A 35 -0.159 -2.814 5.908 1.00 0.18 H new ATOM 0 HA VAL A 35 2.690 -3.229 5.900 1.00 0.18 H new ATOM 0 HB VAL A 35 0.786 -2.083 3.818 1.00 0.16 H new ATOM 0 HG11 VAL A 35 2.574 -2.687 2.206 1.00 0.17 H new ATOM 0 HG12 VAL A 35 3.152 -1.479 3.377 1.00 0.17 H new ATOM 0 HG13 VAL A 35 3.621 -3.186 3.555 1.00 0.17 H new ATOM 0 HG21 VAL A 35 0.887 -4.390 2.898 1.00 0.13 H new ATOM 0 HG22 VAL A 35 1.938 -4.881 4.248 1.00 0.13 H new ATOM 0 HG23 VAL A 35 0.255 -4.394 4.561 1.00 0.13 H new ATOM 529 N MET A 36 1.615 -0.108 5.618 1.00 0.18 N ATOM 530 CA MET A 36 2.073 1.297 5.789 1.00 0.20 C ATOM 531 C MET A 36 2.710 1.451 7.171 1.00 0.22 C ATOM 532 O MET A 36 3.670 2.176 7.345 1.00 0.23 O ATOM 533 CB MET A 36 0.866 2.236 5.667 1.00 0.19 C ATOM 534 CG MET A 36 0.485 2.421 4.187 1.00 0.15 C ATOM 535 SD MET A 36 1.377 3.842 3.506 1.00 0.63 S ATOM 536 CE MET A 36 0.131 4.329 2.290 1.00 0.18 C ATOM 0 H MET A 36 0.628 -0.220 5.388 1.00 0.18 H new ATOM 0 HA MET A 36 2.806 1.547 5.022 1.00 0.20 H new ATOM 0 HB2 MET A 36 0.020 1.827 6.220 1.00 0.19 H new ATOM 0 HB3 MET A 36 1.101 3.202 6.113 1.00 0.19 H new ATOM 0 HG2 MET A 36 0.729 1.521 3.623 1.00 0.15 H new ATOM 0 HG3 MET A 36 -0.590 2.574 4.094 1.00 0.15 H new ATOM 0 HE1 MET A 36 0.479 5.205 1.743 1.00 0.18 H new ATOM 0 HE2 MET A 36 -0.037 3.508 1.592 1.00 0.18 H new ATOM 0 HE3 MET A 36 -0.802 4.568 2.801 1.00 0.18 H new ATOM 546 N ARG A 37 2.186 0.770 8.159 1.00 0.22 N ATOM 547 CA ARG A 37 2.772 0.880 9.523 1.00 0.23 C ATOM 548 C ARG A 37 4.164 0.249 9.531 1.00 0.25 C ATOM 549 O ARG A 37 5.028 0.646 10.284 1.00 0.30 O ATOM 550 CB ARG A 37 1.858 0.171 10.531 1.00 0.24 C ATOM 551 CG ARG A 37 0.687 1.091 10.893 1.00 0.20 C ATOM 552 CD ARG A 37 -0.322 0.328 11.749 1.00 1.10 C ATOM 553 NE ARG A 37 0.352 -0.168 12.982 1.00 0.73 N ATOM 554 CZ ARG A 37 -0.360 -0.580 13.995 1.00 1.04 C ATOM 555 NH1 ARG A 37 -1.663 -0.547 13.934 1.00 1.71 N ATOM 556 NH2 ARG A 37 0.233 -1.019 15.071 1.00 1.05 N ATOM 0 H ARG A 37 1.382 0.147 8.078 1.00 0.22 H new ATOM 0 HA ARG A 37 2.859 1.930 9.804 1.00 0.23 H new ATOM 0 HB2 ARG A 37 1.485 -0.761 10.107 1.00 0.24 H new ATOM 0 HB3 ARG A 37 2.420 -0.090 11.428 1.00 0.24 H new ATOM 0 HG2 ARG A 37 1.052 1.964 11.435 1.00 0.20 H new ATOM 0 HG3 ARG A 37 0.206 1.457 9.986 1.00 0.20 H new ATOM 0 HD2 ARG A 37 -1.156 0.978 12.013 1.00 1.10 H new ATOM 0 HD3 ARG A 37 -0.735 -0.508 11.185 1.00 1.10 H new ATOM 0 HE ARG A 37 1.371 -0.185 13.034 1.00 0.73 H new ATOM 0 HH11 ARG A 37 -2.126 -0.199 13.094 1.00 1.71 H new ATOM 0 HH12 ARG A 37 -2.219 -0.869 14.726 1.00 1.71 H new ATOM 0 HH21 ARG A 37 1.252 -1.040 15.120 1.00 1.05 H new ATOM 0 HH22 ARG A 37 -0.322 -1.341 15.864 1.00 1.05 H new ATOM 570 N SER A 38 4.396 -0.718 8.688 1.00 0.21 N ATOM 571 CA SER A 38 5.742 -1.349 8.649 1.00 0.22 C ATOM 572 C SER A 38 6.762 -0.292 8.224 1.00 0.26 C ATOM 573 O SER A 38 7.900 -0.301 8.654 1.00 0.29 O ATOM 574 CB SER A 38 5.741 -2.500 7.641 1.00 0.16 C ATOM 575 OG SER A 38 5.721 -1.970 6.321 1.00 0.24 O ATOM 0 H SER A 38 3.716 -1.096 8.029 1.00 0.21 H new ATOM 0 HA SER A 38 6.000 -1.741 9.633 1.00 0.22 H new ATOM 0 HB2 SER A 38 6.625 -3.122 7.782 1.00 0.16 H new ATOM 0 HB3 SER A 38 4.872 -3.139 7.802 1.00 0.16 H new ATOM 0 HG SER A 38 5.004 -1.306 6.246 1.00 0.24 H new ATOM 581 N LEU A 39 6.359 0.623 7.384 1.00 0.26 N ATOM 582 CA LEU A 39 7.297 1.691 6.930 1.00 0.32 C ATOM 583 C LEU A 39 7.356 2.806 7.980 1.00 0.39 C ATOM 584 O LEU A 39 8.063 3.781 7.824 1.00 0.45 O ATOM 585 CB LEU A 39 6.809 2.262 5.596 1.00 0.32 C ATOM 586 CG LEU A 39 6.507 1.114 4.625 1.00 0.27 C ATOM 587 CD1 LEU A 39 5.994 1.687 3.303 1.00 0.26 C ATOM 588 CD2 LEU A 39 7.785 0.301 4.371 1.00 0.31 C ATOM 0 H LEU A 39 5.419 0.677 6.992 1.00 0.26 H new ATOM 0 HA LEU A 39 8.294 1.269 6.801 1.00 0.32 H new ATOM 0 HB2 LEU A 39 5.914 2.864 5.752 1.00 0.32 H new ATOM 0 HB3 LEU A 39 7.567 2.921 5.172 1.00 0.32 H new ATOM 0 HG LEU A 39 5.748 0.464 5.059 1.00 0.27 H new ATOM 0 HD11 LEU A 39 5.779 0.872 2.612 1.00 0.26 H new ATOM 0 HD12 LEU A 39 5.084 2.259 3.483 1.00 0.26 H new ATOM 0 HD13 LEU A 39 6.753 2.339 2.870 1.00 0.26 H new ATOM 0 HD21 LEU A 39 7.567 -0.514 3.681 1.00 0.31 H new ATOM 0 HD22 LEU A 39 8.548 0.948 3.939 1.00 0.31 H new ATOM 0 HD23 LEU A 39 8.149 -0.109 5.313 1.00 0.31 H new ATOM 600 N GLY A 40 6.630 2.662 9.060 1.00 0.39 N ATOM 601 CA GLY A 40 6.657 3.704 10.133 1.00 0.47 C ATOM 602 C GLY A 40 5.598 4.783 9.873 1.00 0.49 C ATOM 603 O GLY A 40 5.668 5.865 10.420 1.00 0.54 O ATOM 0 H GLY A 40 6.019 1.867 9.246 1.00 0.39 H new ATOM 0 HA2 GLY A 40 6.478 3.239 11.102 1.00 0.47 H new ATOM 0 HA3 GLY A 40 7.645 4.162 10.177 1.00 0.47 H new ATOM 607 N GLN A 41 4.616 4.503 9.053 1.00 0.45 N ATOM 608 CA GLN A 41 3.550 5.521 8.772 1.00 0.47 C ATOM 609 C GLN A 41 2.307 5.202 9.608 1.00 0.47 C ATOM 610 O GLN A 41 1.973 4.054 9.815 1.00 0.45 O ATOM 611 CB GLN A 41 3.182 5.475 7.286 1.00 0.45 C ATOM 612 CG GLN A 41 4.394 5.879 6.441 1.00 0.45 C ATOM 613 CD GLN A 41 4.745 7.344 6.713 1.00 1.42 C ATOM 614 OE1 GLN A 41 5.902 7.714 6.700 1.00 2.23 O ATOM 615 NE2 GLN A 41 3.789 8.198 6.962 1.00 2.21 N ATOM 0 H GLN A 41 4.504 3.614 8.565 1.00 0.45 H new ATOM 0 HA GLN A 41 3.920 6.514 9.029 1.00 0.47 H new ATOM 0 HB2 GLN A 41 2.855 4.472 7.013 1.00 0.45 H new ATOM 0 HB3 GLN A 41 2.348 6.147 7.087 1.00 0.45 H new ATOM 0 HG2 GLN A 41 5.245 5.241 6.679 1.00 0.45 H new ATOM 0 HG3 GLN A 41 4.175 5.737 5.383 1.00 0.45 H new ATOM 0 HE21 GLN A 41 2.818 7.887 6.973 1.00 2.21 H new ATOM 0 HE22 GLN A 41 4.014 9.176 7.146 1.00 2.21 H new ATOM 624 N ASN A 42 1.616 6.207 10.093 1.00 0.49 N ATOM 625 CA ASN A 42 0.389 5.960 10.922 1.00 0.48 C ATOM 626 C ASN A 42 -0.747 6.886 10.465 1.00 0.46 C ATOM 627 O ASN A 42 -1.065 7.839 11.151 1.00 0.46 O ATOM 628 CB ASN A 42 0.708 6.246 12.390 1.00 0.52 C ATOM 629 CG ASN A 42 -0.486 5.840 13.257 1.00 0.52 C ATOM 630 OD1 ASN A 42 -1.263 4.987 12.878 1.00 1.11 O ATOM 631 ND2 ASN A 42 -0.665 6.419 14.413 1.00 1.22 N ATOM 0 H ASN A 42 1.848 7.190 9.951 1.00 0.49 H new ATOM 0 HA ASN A 42 0.078 4.922 10.802 1.00 0.48 H new ATOM 0 HB2 ASN A 42 1.597 5.694 12.695 1.00 0.52 H new ATOM 0 HB3 ASN A 42 0.928 7.305 12.526 1.00 0.52 H new ATOM 0 HD21 ASN A 42 -1.458 6.155 14.998 1.00 1.22 H new ATOM 0 HD22 ASN A 42 -0.012 7.135 14.731 1.00 1.22 H new ATOM 638 N PRO A 43 -1.336 6.590 9.325 1.00 0.42 N ATOM 639 CA PRO A 43 -2.444 7.408 8.794 1.00 0.39 C ATOM 640 C PRO A 43 -3.702 7.161 9.635 1.00 0.38 C ATOM 641 O PRO A 43 -3.882 6.094 10.188 1.00 0.39 O ATOM 642 CB PRO A 43 -2.642 6.903 7.345 1.00 0.35 C ATOM 643 CG PRO A 43 -1.778 5.617 7.180 1.00 0.38 C ATOM 644 CD PRO A 43 -0.956 5.438 8.478 1.00 0.42 C ATOM 0 HA PRO A 43 -2.241 8.478 8.823 1.00 0.39 H new ATOM 0 HB2 PRO A 43 -3.693 6.687 7.154 1.00 0.35 H new ATOM 0 HB3 PRO A 43 -2.338 7.665 6.628 1.00 0.35 H new ATOM 0 HG2 PRO A 43 -2.413 4.748 7.006 1.00 0.38 H new ATOM 0 HG3 PRO A 43 -1.118 5.707 6.318 1.00 0.38 H new ATOM 0 HD2 PRO A 43 -1.190 4.493 8.967 1.00 0.42 H new ATOM 0 HD3 PRO A 43 0.114 5.434 8.272 1.00 0.42 H new ATOM 652 N THR A 44 -4.582 8.120 9.728 1.00 0.36 N ATOM 653 CA THR A 44 -5.817 7.891 10.524 1.00 0.37 C ATOM 654 C THR A 44 -6.701 6.897 9.778 1.00 0.32 C ATOM 655 O THR A 44 -6.470 6.586 8.625 1.00 0.28 O ATOM 656 CB THR A 44 -6.582 9.201 10.713 1.00 0.37 C ATOM 657 OG1 THR A 44 -6.834 9.787 9.447 1.00 0.32 O ATOM 658 CG2 THR A 44 -5.756 10.164 11.570 1.00 0.42 C ATOM 0 H THR A 44 -4.501 9.039 9.293 1.00 0.36 H new ATOM 0 HA THR A 44 -5.545 7.500 11.505 1.00 0.37 H new ATOM 0 HB THR A 44 -7.528 8.997 11.214 1.00 0.37 H new ATOM 0 HG1 THR A 44 -7.326 10.626 9.567 1.00 0.32 H new ATOM 0 HG21 THR A 44 -6.305 11.096 11.702 1.00 0.42 H new ATOM 0 HG22 THR A 44 -5.567 9.713 12.544 1.00 0.42 H new ATOM 0 HG23 THR A 44 -4.807 10.369 11.075 1.00 0.42 H new ATOM 666 N GLU A 45 -7.709 6.393 10.422 1.00 0.34 N ATOM 667 CA GLU A 45 -8.608 5.417 9.752 1.00 0.31 C ATOM 668 C GLU A 45 -9.286 6.079 8.553 1.00 0.29 C ATOM 669 O GLU A 45 -9.445 5.477 7.511 1.00 0.25 O ATOM 670 CB GLU A 45 -9.667 4.953 10.749 1.00 0.36 C ATOM 671 CG GLU A 45 -9.043 3.970 11.745 1.00 0.39 C ATOM 672 CD GLU A 45 -8.731 2.651 11.035 1.00 1.58 C ATOM 673 OE1 GLU A 45 -9.548 2.222 10.238 1.00 2.28 O ATOM 674 OE2 GLU A 45 -7.677 2.095 11.300 1.00 2.25 O ATOM 0 H GLU A 45 -7.952 6.614 11.388 1.00 0.34 H new ATOM 0 HA GLU A 45 -8.028 4.562 9.405 1.00 0.31 H new ATOM 0 HB2 GLU A 45 -10.081 5.810 11.280 1.00 0.36 H new ATOM 0 HB3 GLU A 45 -10.493 4.476 10.221 1.00 0.36 H new ATOM 0 HG2 GLU A 45 -8.131 4.393 12.166 1.00 0.39 H new ATOM 0 HG3 GLU A 45 -9.727 3.795 12.576 1.00 0.39 H new ATOM 681 N ALA A 46 -9.690 7.311 8.687 1.00 0.30 N ATOM 682 CA ALA A 46 -10.357 7.990 7.544 1.00 0.27 C ATOM 683 C ALA A 46 -9.352 8.167 6.406 1.00 0.22 C ATOM 684 O ALA A 46 -9.692 8.048 5.246 1.00 0.15 O ATOM 685 CB ALA A 46 -10.893 9.353 7.989 1.00 0.32 C ATOM 0 H ALA A 46 -9.588 7.873 9.532 1.00 0.30 H new ATOM 0 HA ALA A 46 -11.192 7.382 7.196 1.00 0.27 H new ATOM 0 HB1 ALA A 46 -11.380 9.845 7.147 1.00 0.32 H new ATOM 0 HB2 ALA A 46 -11.613 9.215 8.795 1.00 0.32 H new ATOM 0 HB3 ALA A 46 -10.067 9.971 8.342 1.00 0.32 H new ATOM 691 N GLU A 47 -8.111 8.426 6.721 1.00 0.26 N ATOM 692 CA GLU A 47 -7.102 8.580 5.640 1.00 0.23 C ATOM 693 C GLU A 47 -7.056 7.274 4.853 1.00 0.17 C ATOM 694 O GLU A 47 -6.951 7.264 3.641 1.00 0.13 O ATOM 695 CB GLU A 47 -5.723 8.860 6.247 1.00 0.31 C ATOM 696 CG GLU A 47 -5.628 10.328 6.670 1.00 0.37 C ATOM 697 CD GLU A 47 -4.345 10.546 7.475 1.00 0.69 C ATOM 698 OE1 GLU A 47 -3.289 10.201 6.971 1.00 1.37 O ATOM 699 OE2 GLU A 47 -4.440 11.055 8.579 1.00 0.92 O ATOM 0 H GLU A 47 -7.757 8.536 7.671 1.00 0.26 H new ATOM 0 HA GLU A 47 -7.371 9.412 4.990 1.00 0.23 H new ATOM 0 HB2 GLU A 47 -5.557 8.213 7.108 1.00 0.31 H new ATOM 0 HB3 GLU A 47 -4.943 8.631 5.521 1.00 0.31 H new ATOM 0 HG2 GLU A 47 -5.632 10.972 5.790 1.00 0.37 H new ATOM 0 HG3 GLU A 47 -6.497 10.602 7.269 1.00 0.37 H new ATOM 706 N LEU A 48 -7.144 6.164 5.539 1.00 0.21 N ATOM 707 CA LEU A 48 -7.110 4.853 4.837 1.00 0.22 C ATOM 708 C LEU A 48 -8.435 4.620 4.105 1.00 0.20 C ATOM 709 O LEU A 48 -8.458 4.264 2.946 1.00 0.24 O ATOM 710 CB LEU A 48 -6.907 3.729 5.860 1.00 0.30 C ATOM 711 CG LEU A 48 -5.467 3.740 6.402 1.00 0.25 C ATOM 712 CD1 LEU A 48 -5.345 2.692 7.517 1.00 0.53 C ATOM 713 CD2 LEU A 48 -4.462 3.414 5.275 1.00 0.28 C ATOM 0 H LEU A 48 -7.238 6.112 6.553 1.00 0.21 H new ATOM 0 HA LEU A 48 -6.290 4.857 4.119 1.00 0.22 H new ATOM 0 HB2 LEU A 48 -7.612 3.848 6.683 1.00 0.30 H new ATOM 0 HB3 LEU A 48 -7.119 2.766 5.396 1.00 0.30 H new ATOM 0 HG LEU A 48 -5.240 4.732 6.793 1.00 0.25 H new ATOM 0 HD11 LEU A 48 -4.327 2.693 7.907 1.00 0.53 H new ATOM 0 HD12 LEU A 48 -6.042 2.932 8.320 1.00 0.53 H new ATOM 0 HD13 LEU A 48 -5.579 1.706 7.117 1.00 0.53 H new ATOM 0 HD21 LEU A 48 -3.449 3.426 5.676 1.00 0.28 H new ATOM 0 HD22 LEU A 48 -4.679 2.426 4.868 1.00 0.28 H new ATOM 0 HD23 LEU A 48 -4.548 4.159 4.484 1.00 0.28 H new ATOM 725 N GLN A 49 -9.541 4.802 4.776 1.00 0.22 N ATOM 726 CA GLN A 49 -10.859 4.565 4.118 1.00 0.20 C ATOM 727 C GLN A 49 -11.028 5.485 2.908 1.00 0.17 C ATOM 728 O GLN A 49 -11.804 5.210 2.015 1.00 0.18 O ATOM 729 CB GLN A 49 -11.990 4.843 5.115 1.00 0.20 C ATOM 730 CG GLN A 49 -12.091 3.706 6.141 1.00 0.23 C ATOM 731 CD GLN A 49 -13.411 3.829 6.905 1.00 1.10 C ATOM 732 OE1 GLN A 49 -14.471 3.828 6.312 1.00 1.73 O ATOM 733 NE2 GLN A 49 -13.391 3.932 8.206 1.00 1.96 N ATOM 0 H GLN A 49 -9.589 5.104 5.749 1.00 0.22 H new ATOM 0 HA GLN A 49 -10.898 3.527 3.787 1.00 0.20 H new ATOM 0 HB2 GLN A 49 -11.808 5.788 5.627 1.00 0.20 H new ATOM 0 HB3 GLN A 49 -12.936 4.946 4.583 1.00 0.20 H new ATOM 0 HG2 GLN A 49 -12.038 2.741 5.637 1.00 0.23 H new ATOM 0 HG3 GLN A 49 -11.251 3.751 6.834 1.00 0.23 H new ATOM 0 HE21 GLN A 49 -12.501 3.933 8.704 1.00 1.96 H new ATOM 0 HE22 GLN A 49 -14.266 4.012 8.725 1.00 1.96 H new ATOM 742 N ASP A 50 -10.322 6.574 2.870 1.00 0.15 N ATOM 743 CA ASP A 50 -10.465 7.502 1.712 1.00 0.13 C ATOM 744 C ASP A 50 -9.775 6.899 0.493 1.00 0.15 C ATOM 745 O ASP A 50 -10.335 6.831 -0.581 1.00 0.17 O ATOM 746 CB ASP A 50 -9.827 8.853 2.051 1.00 0.11 C ATOM 747 CG ASP A 50 -10.743 9.630 2.997 1.00 1.10 C ATOM 748 OD1 ASP A 50 -11.948 9.539 2.833 1.00 1.89 O ATOM 749 OD2 ASP A 50 -10.224 10.306 3.870 1.00 1.92 O ATOM 0 H ASP A 50 -9.654 6.865 3.584 1.00 0.15 H new ATOM 0 HA ASP A 50 -11.523 7.651 1.494 1.00 0.13 H new ATOM 0 HB2 ASP A 50 -8.853 8.700 2.516 1.00 0.11 H new ATOM 0 HB3 ASP A 50 -9.659 9.426 1.139 1.00 0.11 H new ATOM 890 N GLY A 61 -11.903 -5.228 -3.175 1.00 0.25 N ATOM 891 CA GLY A 61 -11.344 -5.034 -1.799 1.00 0.20 C ATOM 892 C GLY A 61 -9.916 -5.596 -1.718 1.00 0.21 C ATOM 893 O GLY A 61 -9.541 -6.200 -0.733 1.00 0.24 O ATOM 0 HA2 GLY A 61 -11.339 -3.973 -1.547 1.00 0.20 H new ATOM 0 HA3 GLY A 61 -11.980 -5.532 -1.067 1.00 0.20 H new ATOM 897 N THR A 62 -9.108 -5.402 -2.738 1.00 0.22 N ATOM 898 CA THR A 62 -7.709 -5.926 -2.709 1.00 0.21 C ATOM 899 C THR A 62 -6.767 -4.889 -3.332 1.00 0.18 C ATOM 900 O THR A 62 -7.201 -3.959 -3.984 1.00 0.20 O ATOM 901 CB THR A 62 -7.637 -7.216 -3.530 1.00 0.30 C ATOM 902 OG1 THR A 62 -8.112 -6.962 -4.843 1.00 0.38 O ATOM 903 CG2 THR A 62 -8.501 -8.293 -2.873 1.00 0.37 C ATOM 0 H THR A 62 -9.362 -4.901 -3.590 1.00 0.22 H new ATOM 0 HA THR A 62 -7.415 -6.123 -1.678 1.00 0.21 H new ATOM 0 HB THR A 62 -6.604 -7.562 -3.575 1.00 0.30 H new ATOM 0 HG1 THR A 62 -8.066 -7.785 -5.373 1.00 0.38 H new ATOM 0 HG21 THR A 62 -8.448 -9.210 -3.460 1.00 0.37 H new ATOM 0 HG22 THR A 62 -8.137 -8.486 -1.864 1.00 0.37 H new ATOM 0 HG23 THR A 62 -9.535 -7.952 -2.826 1.00 0.37 H new ATOM 911 N ILE A 63 -5.479 -5.040 -3.143 1.00 0.16 N ATOM 912 CA ILE A 63 -4.501 -4.068 -3.730 1.00 0.18 C ATOM 913 C ILE A 63 -3.286 -4.836 -4.249 1.00 0.20 C ATOM 914 O ILE A 63 -2.760 -5.703 -3.583 1.00 0.19 O ATOM 915 CB ILE A 63 -4.060 -3.083 -2.637 1.00 0.14 C ATOM 916 CG1 ILE A 63 -5.268 -2.769 -1.744 1.00 0.08 C ATOM 917 CG2 ILE A 63 -3.513 -1.788 -3.265 1.00 0.19 C ATOM 918 CD1 ILE A 63 -4.940 -1.618 -0.786 1.00 0.10 C ATOM 0 H ILE A 63 -5.060 -5.798 -2.605 1.00 0.16 H new ATOM 0 HA ILE A 63 -4.963 -3.520 -4.551 1.00 0.18 H new ATOM 0 HB ILE A 63 -3.264 -3.531 -2.042 1.00 0.14 H new ATOM 0 HG12 ILE A 63 -6.126 -2.503 -2.362 1.00 0.08 H new ATOM 0 HG13 ILE A 63 -5.548 -3.656 -1.175 1.00 0.08 H new ATOM 0 HG21 ILE A 63 -3.206 -1.102 -2.475 1.00 0.19 H new ATOM 0 HG22 ILE A 63 -2.656 -2.023 -3.895 1.00 0.19 H new ATOM 0 HG23 ILE A 63 -4.290 -1.320 -3.869 1.00 0.19 H new ATOM 0 HD11 ILE A 63 -5.807 -1.408 -0.160 1.00 0.10 H new ATOM 0 HD12 ILE A 63 -4.096 -1.899 -0.155 1.00 0.10 H new ATOM 0 HD13 ILE A 63 -4.683 -0.728 -1.361 1.00 0.10 H new ATOM 930 N ASP A 64 -2.831 -4.517 -5.431 1.00 0.22 N ATOM 931 CA ASP A 64 -1.636 -5.210 -6.007 1.00 0.24 C ATOM 932 C ASP A 64 -0.408 -4.292 -5.845 1.00 0.25 C ATOM 933 O ASP A 64 -0.542 -3.125 -5.539 1.00 0.24 O ATOM 934 CB ASP A 64 -1.899 -5.527 -7.488 1.00 0.27 C ATOM 935 CG ASP A 64 -2.023 -4.228 -8.288 1.00 0.31 C ATOM 936 OD1 ASP A 64 -1.877 -3.172 -7.696 1.00 0.25 O ATOM 937 OD2 ASP A 64 -2.262 -4.313 -9.482 1.00 0.44 O ATOM 0 H ASP A 64 -3.239 -3.799 -6.030 1.00 0.22 H new ATOM 0 HA ASP A 64 -1.446 -6.148 -5.486 1.00 0.24 H new ATOM 0 HB2 ASP A 64 -1.087 -6.134 -7.888 1.00 0.27 H new ATOM 0 HB3 ASP A 64 -2.813 -6.113 -7.586 1.00 0.27 H new ATOM 942 N PHE A 65 0.786 -4.811 -6.010 1.00 0.26 N ATOM 943 CA PHE A 65 2.007 -3.956 -5.821 1.00 0.27 C ATOM 944 C PHE A 65 2.024 -2.723 -6.760 1.00 0.28 C ATOM 945 O PHE A 65 2.308 -1.643 -6.282 1.00 0.28 O ATOM 946 CB PHE A 65 3.288 -4.798 -5.978 1.00 0.27 C ATOM 947 CG PHE A 65 4.498 -4.009 -5.506 1.00 0.28 C ATOM 948 CD1 PHE A 65 4.622 -3.639 -4.157 1.00 0.71 C ATOM 949 CD2 PHE A 65 5.507 -3.661 -6.418 1.00 0.59 C ATOM 950 CE1 PHE A 65 5.747 -2.924 -3.727 1.00 0.73 C ATOM 951 CE2 PHE A 65 6.630 -2.946 -5.984 1.00 0.56 C ATOM 952 CZ PHE A 65 6.751 -2.579 -4.641 1.00 0.29 C ATOM 0 H PHE A 65 0.970 -5.781 -6.265 1.00 0.26 H new ATOM 0 HA PHE A 65 1.971 -3.566 -4.804 1.00 0.27 H new ATOM 0 HB2 PHE A 65 3.199 -5.719 -5.402 1.00 0.27 H new ATOM 0 HB3 PHE A 65 3.417 -5.085 -7.021 1.00 0.27 H new ATOM 0 HD1 PHE A 65 3.850 -3.906 -3.451 1.00 0.71 H new ATOM 0 HD2 PHE A 65 5.417 -3.945 -7.456 1.00 0.59 H new ATOM 0 HE1 PHE A 65 5.841 -2.638 -2.690 1.00 0.73 H new ATOM 0 HE2 PHE A 65 7.404 -2.678 -6.688 1.00 0.56 H new ATOM 0 HZ PHE A 65 7.619 -2.029 -4.308 1.00 0.29 H new ATOM 962 N PRO A 66 1.725 -2.855 -8.048 1.00 0.30 N ATOM 963 CA PRO A 66 1.736 -1.669 -8.925 1.00 0.32 C ATOM 964 C PRO A 66 0.886 -0.557 -8.289 1.00 0.33 C ATOM 965 O PRO A 66 1.341 0.554 -8.107 1.00 0.35 O ATOM 966 CB PRO A 66 1.145 -2.149 -10.270 1.00 0.33 C ATOM 967 CG PRO A 66 0.943 -3.688 -10.164 1.00 0.32 C ATOM 968 CD PRO A 66 1.361 -4.117 -8.737 1.00 0.31 C ATOM 0 HA PRO A 66 2.734 -1.255 -9.071 1.00 0.32 H new ATOM 0 HB2 PRO A 66 0.197 -1.650 -10.473 1.00 0.33 H new ATOM 0 HB3 PRO A 66 1.816 -1.905 -11.093 1.00 0.33 H new ATOM 0 HG2 PRO A 66 -0.097 -3.952 -10.354 1.00 0.32 H new ATOM 0 HG3 PRO A 66 1.545 -4.206 -10.911 1.00 0.32 H new ATOM 0 HD2 PRO A 66 0.546 -4.626 -8.223 1.00 0.31 H new ATOM 0 HD3 PRO A 66 2.203 -4.809 -8.764 1.00 0.31 H new ATOM 976 N GLU A 67 -0.339 -0.853 -7.941 1.00 0.32 N ATOM 977 CA GLU A 67 -1.199 0.187 -7.309 1.00 0.34 C ATOM 978 C GLU A 67 -0.570 0.619 -5.985 1.00 0.33 C ATOM 979 O GLU A 67 -0.691 1.755 -5.574 1.00 0.35 O ATOM 980 CB GLU A 67 -2.599 -0.376 -7.052 1.00 0.35 C ATOM 981 CG GLU A 67 -3.281 -0.690 -8.385 1.00 0.36 C ATOM 982 CD GLU A 67 -4.563 -1.482 -8.129 1.00 0.39 C ATOM 983 OE1 GLU A 67 -4.456 -2.635 -7.741 1.00 0.19 O ATOM 984 OE2 GLU A 67 -5.629 -0.922 -8.320 1.00 0.88 O ATOM 0 H GLU A 67 -0.778 -1.765 -8.067 1.00 0.32 H new ATOM 0 HA GLU A 67 -1.280 1.044 -7.977 1.00 0.34 H new ATOM 0 HB2 GLU A 67 -2.533 -1.279 -6.445 1.00 0.35 H new ATOM 0 HB3 GLU A 67 -3.193 0.344 -6.489 1.00 0.35 H new ATOM 0 HG2 GLU A 67 -3.512 0.235 -8.914 1.00 0.36 H new ATOM 0 HG3 GLU A 67 -2.609 -1.263 -9.023 1.00 0.36 H new ATOM 991 N PHE A 68 0.109 -0.269 -5.312 1.00 0.31 N ATOM 992 CA PHE A 68 0.744 0.129 -4.029 1.00 0.31 C ATOM 993 C PHE A 68 1.818 1.171 -4.332 1.00 0.31 C ATOM 994 O PHE A 68 2.011 2.114 -3.589 1.00 0.32 O ATOM 995 CB PHE A 68 1.369 -1.084 -3.325 1.00 0.29 C ATOM 996 CG PHE A 68 1.739 -0.697 -1.913 1.00 0.26 C ATOM 997 CD1 PHE A 68 0.754 -0.662 -0.919 1.00 0.21 C ATOM 998 CD2 PHE A 68 3.063 -0.363 -1.600 1.00 0.31 C ATOM 999 CE1 PHE A 68 1.092 -0.296 0.390 1.00 0.20 C ATOM 1000 CE2 PHE A 68 3.399 0.004 -0.290 1.00 0.31 C ATOM 1001 CZ PHE A 68 2.414 0.035 0.703 1.00 0.25 C ATOM 0 H PHE A 68 0.249 -1.240 -5.592 1.00 0.31 H new ATOM 0 HA PHE A 68 -0.011 0.544 -3.362 1.00 0.31 H new ATOM 0 HB2 PHE A 68 0.666 -1.917 -3.315 1.00 0.29 H new ATOM 0 HB3 PHE A 68 2.253 -1.420 -3.867 1.00 0.29 H new ATOM 0 HD1 PHE A 68 -0.267 -0.917 -1.162 1.00 0.21 H new ATOM 0 HD2 PHE A 68 3.823 -0.388 -2.367 1.00 0.31 H new ATOM 0 HE1 PHE A 68 0.332 -0.269 1.157 1.00 0.20 H new ATOM 0 HE2 PHE A 68 4.419 0.263 -0.047 1.00 0.31 H new ATOM 0 HZ PHE A 68 2.675 0.315 1.713 1.00 0.25 H new ATOM 1011 N LEU A 69 2.511 1.024 -5.430 1.00 0.31 N ATOM 1012 CA LEU A 69 3.553 2.029 -5.785 1.00 0.31 C ATOM 1013 C LEU A 69 2.868 3.364 -6.077 1.00 0.36 C ATOM 1014 O LEU A 69 3.459 4.416 -5.942 1.00 0.38 O ATOM 1015 CB LEU A 69 4.323 1.581 -7.035 1.00 0.26 C ATOM 1016 CG LEU A 69 5.108 0.291 -6.766 1.00 0.15 C ATOM 1017 CD1 LEU A 69 5.857 -0.103 -8.040 1.00 0.18 C ATOM 1018 CD2 LEU A 69 6.121 0.507 -5.629 1.00 0.15 C ATOM 0 H LEU A 69 2.401 0.256 -6.092 1.00 0.31 H new ATOM 0 HA LEU A 69 4.252 2.129 -4.955 1.00 0.31 H new ATOM 0 HB2 LEU A 69 3.626 1.422 -7.858 1.00 0.26 H new ATOM 0 HB3 LEU A 69 5.008 2.369 -7.346 1.00 0.26 H new ATOM 0 HG LEU A 69 4.415 -0.497 -6.473 1.00 0.15 H new ATOM 0 HD11 LEU A 69 6.420 -1.019 -7.863 1.00 0.18 H new ATOM 0 HD12 LEU A 69 5.142 -0.267 -8.846 1.00 0.18 H new ATOM 0 HD13 LEU A 69 6.544 0.696 -8.320 1.00 0.18 H new ATOM 0 HD21 LEU A 69 6.670 -0.418 -5.450 1.00 0.15 H new ATOM 0 HD22 LEU A 69 6.820 1.295 -5.909 1.00 0.15 H new ATOM 0 HD23 LEU A 69 5.592 0.796 -4.721 1.00 0.15 H new ATOM 1030 N THR A 70 1.624 3.330 -6.474 1.00 0.40 N ATOM 1031 CA THR A 70 0.903 4.601 -6.770 1.00 0.47 C ATOM 1032 C THR A 70 0.570 5.301 -5.454 1.00 0.53 C ATOM 1033 O THR A 70 0.437 6.509 -5.397 1.00 0.53 O ATOM 1034 CB THR A 70 -0.383 4.302 -7.553 1.00 0.52 C ATOM 1035 OG1 THR A 70 -0.044 3.818 -8.844 1.00 0.49 O ATOM 1036 CG2 THR A 70 -1.212 5.581 -7.690 1.00 0.63 C ATOM 0 H THR A 70 1.077 2.479 -6.606 1.00 0.40 H new ATOM 0 HA THR A 70 1.534 5.251 -7.377 1.00 0.47 H new ATOM 0 HB THR A 70 -0.966 3.550 -7.020 1.00 0.52 H new ATOM 0 HG1 THR A 70 -0.863 3.624 -9.346 1.00 0.49 H new ATOM 0 HG21 THR A 70 -2.124 5.365 -8.246 1.00 0.63 H new ATOM 0 HG22 THR A 70 -1.471 5.955 -6.699 1.00 0.63 H new ATOM 0 HG23 THR A 70 -0.632 6.335 -8.222 1.00 0.63 H new ATOM 1044 N MET A 71 0.449 4.555 -4.389 1.00 0.61 N ATOM 1045 CA MET A 71 0.143 5.198 -3.071 1.00 0.70 C ATOM 1046 C MET A 71 1.425 5.842 -2.537 1.00 0.67 C ATOM 1047 O MET A 71 1.428 6.980 -2.110 1.00 0.69 O ATOM 1048 CB MET A 71 -0.367 4.159 -2.048 1.00 0.81 C ATOM 1049 CG MET A 71 -1.837 3.777 -2.326 1.00 0.44 C ATOM 1050 SD MET A 71 -2.633 3.299 -0.770 1.00 0.31 S ATOM 1051 CE MET A 71 -3.888 2.207 -1.482 1.00 0.48 C ATOM 0 H MET A 71 0.547 3.540 -4.370 1.00 0.61 H new ATOM 0 HA MET A 71 -0.637 5.945 -3.215 1.00 0.70 H new ATOM 0 HB2 MET A 71 0.258 3.267 -2.090 1.00 0.81 H new ATOM 0 HB3 MET A 71 -0.278 4.563 -1.040 1.00 0.81 H new ATOM 0 HG2 MET A 71 -2.365 4.618 -2.775 1.00 0.44 H new ATOM 0 HG3 MET A 71 -1.883 2.954 -3.040 1.00 0.44 H new ATOM 0 HE1 MET A 71 -4.703 2.077 -0.770 1.00 0.48 H new ATOM 0 HE2 MET A 71 -4.275 2.648 -2.401 1.00 0.48 H new ATOM 0 HE3 MET A 71 -3.443 1.237 -1.705 1.00 0.48 H new ATOM 1061 N MET A 72 2.519 5.125 -2.562 1.00 0.65 N ATOM 1062 CA MET A 72 3.797 5.701 -2.059 1.00 0.64 C ATOM 1063 C MET A 72 4.216 6.869 -2.955 1.00 0.58 C ATOM 1064 O MET A 72 4.796 7.833 -2.497 1.00 0.63 O ATOM 1065 CB MET A 72 4.897 4.631 -2.078 1.00 0.61 C ATOM 1066 CG MET A 72 4.424 3.367 -1.348 1.00 0.53 C ATOM 1067 SD MET A 72 3.858 3.787 0.323 1.00 0.41 S ATOM 1068 CE MET A 72 5.478 4.154 1.043 1.00 0.35 C ATOM 0 H MET A 72 2.580 4.168 -2.909 1.00 0.65 H new ATOM 0 HA MET A 72 3.652 6.051 -1.037 1.00 0.64 H new ATOM 0 HB2 MET A 72 5.159 4.388 -3.108 1.00 0.61 H new ATOM 0 HB3 MET A 72 5.798 5.018 -1.602 1.00 0.61 H new ATOM 0 HG2 MET A 72 3.615 2.896 -1.907 1.00 0.53 H new ATOM 0 HG3 MET A 72 5.237 2.643 -1.294 1.00 0.53 H new ATOM 0 HE1 MET A 72 5.393 4.195 2.129 1.00 0.35 H new ATOM 0 HE2 MET A 72 6.185 3.373 0.764 1.00 0.35 H new ATOM 0 HE3 MET A 72 5.833 5.115 0.670 1.00 0.35 H new ATOM 1078 N ALA A 73 3.933 6.796 -4.229 1.00 0.49 N ATOM 1079 CA ALA A 73 4.325 7.909 -5.130 1.00 0.44 C ATOM 1080 C ALA A 73 3.505 9.155 -4.785 1.00 0.56 C ATOM 1081 O ALA A 73 3.997 10.265 -4.846 1.00 0.61 O ATOM 1082 CB ALA A 73 4.096 7.504 -6.591 1.00 0.36 C ATOM 0 H ALA A 73 3.451 6.018 -4.678 1.00 0.49 H new ATOM 0 HA ALA A 73 5.383 8.132 -4.995 1.00 0.44 H new ATOM 0 HB1 ALA A 73 4.386 8.326 -7.246 1.00 0.36 H new ATOM 0 HB2 ALA A 73 4.697 6.625 -6.823 1.00 0.36 H new ATOM 0 HB3 ALA A 73 3.042 7.273 -6.744 1.00 0.36 H new ATOM 1222 N GLU A 82 13.739 17.031 -2.643 1.00 0.28 N ATOM 1223 CA GLU A 82 14.527 18.106 -3.295 1.00 0.29 C ATOM 1224 C GLU A 82 13.954 19.468 -2.895 1.00 0.31 C ATOM 1225 O GLU A 82 14.669 20.368 -2.500 1.00 0.30 O ATOM 1226 CB GLU A 82 14.433 17.897 -4.821 1.00 0.27 C ATOM 1227 CG GLU A 82 15.678 17.165 -5.336 1.00 0.53 C ATOM 1228 CD GLU A 82 15.609 17.048 -6.859 1.00 0.46 C ATOM 1229 OE1 GLU A 82 14.696 17.614 -7.435 1.00 0.80 O ATOM 1230 OE2 GLU A 82 16.472 16.395 -7.423 1.00 1.59 O ATOM 0 HA GLU A 82 15.571 18.074 -2.984 1.00 0.29 H new ATOM 0 HB2 GLU A 82 13.539 17.322 -5.062 1.00 0.27 H new ATOM 0 HB3 GLU A 82 14.336 18.860 -5.322 1.00 0.27 H new ATOM 0 HG2 GLU A 82 16.578 17.706 -5.043 1.00 0.53 H new ATOM 0 HG3 GLU A 82 15.741 16.174 -4.887 1.00 0.53 H new ATOM 1237 N GLU A 83 12.671 19.619 -2.999 1.00 0.35 N ATOM 1238 CA GLU A 83 12.032 20.917 -2.628 1.00 0.39 C ATOM 1239 C GLU A 83 12.265 21.182 -1.140 1.00 0.42 C ATOM 1240 O GLU A 83 12.180 22.300 -0.671 1.00 0.44 O ATOM 1241 CB GLU A 83 10.520 20.853 -2.918 1.00 0.36 C ATOM 1242 CG GLU A 83 10.252 21.192 -4.390 1.00 0.86 C ATOM 1243 CD GLU A 83 8.742 21.210 -4.641 1.00 0.91 C ATOM 1244 OE1 GLU A 83 8.063 21.987 -3.990 1.00 1.33 O ATOM 1245 OE2 GLU A 83 8.293 20.444 -5.477 1.00 1.34 O ATOM 0 H GLU A 83 12.027 18.899 -3.326 1.00 0.35 H new ATOM 0 HA GLU A 83 12.471 21.724 -3.215 1.00 0.39 H new ATOM 0 HB2 GLU A 83 10.140 19.857 -2.691 1.00 0.36 H new ATOM 0 HB3 GLU A 83 9.988 21.552 -2.273 1.00 0.36 H new ATOM 0 HG2 GLU A 83 10.684 22.162 -4.636 1.00 0.86 H new ATOM 0 HG3 GLU A 83 10.731 20.457 -5.037 1.00 0.86 H new ATOM 1252 N GLU A 84 12.556 20.154 -0.397 1.00 0.41 N ATOM 1253 CA GLU A 84 12.796 20.320 1.067 1.00 0.43 C ATOM 1254 C GLU A 84 14.252 20.706 1.318 1.00 0.37 C ATOM 1255 O GLU A 84 14.548 21.549 2.142 1.00 0.39 O ATOM 1256 CB GLU A 84 12.483 19.007 1.786 1.00 0.45 C ATOM 1257 CG GLU A 84 11.022 18.626 1.535 1.00 0.51 C ATOM 1258 CD GLU A 84 10.704 17.312 2.250 1.00 0.75 C ATOM 1259 OE1 GLU A 84 11.033 17.202 3.420 1.00 1.00 O ATOM 1260 OE2 GLU A 84 10.134 16.438 1.617 1.00 1.95 O ATOM 0 H GLU A 84 12.639 19.197 -0.741 1.00 0.41 H new ATOM 0 HA GLU A 84 12.148 21.110 1.448 1.00 0.43 H new ATOM 0 HB2 GLU A 84 13.143 18.217 1.428 1.00 0.45 H new ATOM 0 HB3 GLU A 84 12.664 19.113 2.856 1.00 0.45 H new ATOM 0 HG2 GLU A 84 10.363 19.416 1.895 1.00 0.51 H new ATOM 0 HG3 GLU A 84 10.841 18.522 0.465 1.00 0.51 H new ATOM 1267 N ILE A 85 15.162 20.098 0.618 1.00 0.31 N ATOM 1268 CA ILE A 85 16.601 20.431 0.823 1.00 0.27 C ATOM 1269 C ILE A 85 16.891 21.810 0.217 1.00 0.31 C ATOM 1270 O ILE A 85 17.584 22.615 0.806 1.00 0.33 O ATOM 1271 CB ILE A 85 17.496 19.347 0.176 1.00 0.20 C ATOM 1272 CG1 ILE A 85 17.531 18.106 1.096 1.00 0.20 C ATOM 1273 CG2 ILE A 85 18.918 19.907 -0.014 1.00 0.23 C ATOM 1274 CD1 ILE A 85 18.506 17.056 0.553 1.00 0.07 C ATOM 0 H ILE A 85 14.976 19.385 -0.087 1.00 0.31 H new ATOM 0 HA ILE A 85 16.823 20.459 1.890 1.00 0.27 H new ATOM 0 HB ILE A 85 17.094 19.062 -0.796 1.00 0.20 H new ATOM 0 HG12 ILE A 85 17.830 18.401 2.102 1.00 0.20 H new ATOM 0 HG13 ILE A 85 16.532 17.676 1.173 1.00 0.20 H new ATOM 0 HG21 ILE A 85 19.551 19.146 -0.470 1.00 0.23 H new ATOM 0 HG22 ILE A 85 18.881 20.783 -0.662 1.00 0.23 H new ATOM 0 HG23 ILE A 85 19.330 20.189 0.955 1.00 0.23 H new ATOM 0 HD11 ILE A 85 18.515 16.191 1.216 1.00 0.07 H new ATOM 0 HD12 ILE A 85 18.190 16.747 -0.443 1.00 0.07 H new ATOM 0 HD13 ILE A 85 19.508 17.483 0.500 1.00 0.07 H new ATOM 1286 N ARG A 86 16.375 22.099 -0.947 1.00 0.32 N ATOM 1287 CA ARG A 86 16.644 23.433 -1.548 1.00 0.37 C ATOM 1288 C ARG A 86 15.962 24.497 -0.688 1.00 0.40 C ATOM 1289 O ARG A 86 16.534 25.528 -0.394 1.00 0.41 O ATOM 1290 CB ARG A 86 16.085 23.489 -2.974 1.00 0.40 C ATOM 1291 CG ARG A 86 16.205 24.917 -3.513 1.00 0.91 C ATOM 1292 CD ARG A 86 15.954 24.923 -5.023 1.00 1.07 C ATOM 1293 NE ARG A 86 14.681 24.208 -5.320 1.00 0.60 N ATOM 1294 CZ ARG A 86 14.113 24.342 -6.487 1.00 1.33 C ATOM 1295 NH1 ARG A 86 14.656 25.110 -7.393 1.00 1.68 N ATOM 1296 NH2 ARG A 86 13.001 23.711 -6.749 1.00 2.13 N ATOM 0 H ARG A 86 15.786 21.477 -1.501 1.00 0.32 H new ATOM 0 HA ARG A 86 17.719 23.611 -1.587 1.00 0.37 H new ATOM 0 HB2 ARG A 86 16.631 22.799 -3.617 1.00 0.40 H new ATOM 0 HB3 ARG A 86 15.042 23.173 -2.980 1.00 0.40 H new ATOM 0 HG2 ARG A 86 15.486 25.566 -3.013 1.00 0.91 H new ATOM 0 HG3 ARG A 86 17.197 25.315 -3.298 1.00 0.91 H new ATOM 0 HD2 ARG A 86 15.901 25.948 -5.389 1.00 1.07 H new ATOM 0 HD3 ARG A 86 16.783 24.442 -5.542 1.00 1.07 H new ATOM 0 HE ARG A 86 14.253 23.613 -4.610 1.00 0.60 H new ATOM 0 HH11 ARG A 86 15.524 25.605 -7.188 1.00 1.68 H new ATOM 0 HH12 ARG A 86 14.212 25.215 -8.305 1.00 1.68 H new ATOM 0 HH21 ARG A 86 12.575 23.113 -6.041 1.00 2.13 H new ATOM 0 HH22 ARG A 86 12.558 23.816 -7.662 1.00 2.13 H new ATOM 1310 N GLU A 87 14.745 24.256 -0.274 1.00 0.43 N ATOM 1311 CA GLU A 87 14.051 25.259 0.573 1.00 0.45 C ATOM 1312 C GLU A 87 14.803 25.382 1.894 1.00 0.39 C ATOM 1313 O GLU A 87 14.721 26.388 2.573 1.00 0.35 O ATOM 1314 CB GLU A 87 12.594 24.838 0.822 1.00 0.50 C ATOM 1315 CG GLU A 87 11.780 25.045 -0.458 1.00 0.75 C ATOM 1316 CD GLU A 87 11.504 26.539 -0.653 1.00 2.14 C ATOM 1317 OE1 GLU A 87 11.276 27.212 0.339 1.00 2.33 O ATOM 1318 OE2 GLU A 87 11.528 26.981 -1.788 1.00 3.31 O ATOM 0 H GLU A 87 14.209 23.414 -0.486 1.00 0.43 H new ATOM 0 HA GLU A 87 14.037 26.223 0.065 1.00 0.45 H new ATOM 0 HB2 GLU A 87 12.553 23.792 1.127 1.00 0.50 H new ATOM 0 HB3 GLU A 87 12.168 25.425 1.636 1.00 0.50 H new ATOM 0 HG2 GLU A 87 12.325 24.650 -1.316 1.00 0.75 H new ATOM 0 HG3 GLU A 87 10.840 24.496 -0.397 1.00 0.75 H new ATOM 1325 N ALA A 88 15.577 24.389 2.251 1.00 0.39 N ATOM 1326 CA ALA A 88 16.366 24.497 3.503 1.00 0.35 C ATOM 1327 C ALA A 88 17.579 25.343 3.173 1.00 0.31 C ATOM 1328 O ALA A 88 17.866 26.325 3.811 1.00 0.31 O ATOM 1329 CB ALA A 88 16.821 23.116 3.968 1.00 0.40 C ATOM 0 H ALA A 88 15.693 23.519 1.732 1.00 0.39 H new ATOM 0 HA ALA A 88 15.769 24.939 4.301 1.00 0.35 H new ATOM 0 HB1 ALA A 88 17.398 23.214 4.887 1.00 0.40 H new ATOM 0 HB2 ALA A 88 15.949 22.488 4.152 1.00 0.40 H new ATOM 0 HB3 ALA A 88 17.441 22.659 3.197 1.00 0.40 H new ATOM 1335 N PHE A 89 18.274 24.993 2.141 1.00 0.31 N ATOM 1336 CA PHE A 89 19.440 25.816 1.759 1.00 0.30 C ATOM 1337 C PHE A 89 18.928 27.238 1.512 1.00 0.33 C ATOM 1338 O PHE A 89 19.647 28.204 1.666 1.00 0.31 O ATOM 1339 CB PHE A 89 20.092 25.243 0.492 1.00 0.33 C ATOM 1340 CG PHE A 89 21.044 24.121 0.863 1.00 0.26 C ATOM 1341 CD1 PHE A 89 22.187 24.404 1.623 1.00 0.24 C ATOM 1342 CD2 PHE A 89 20.784 22.793 0.460 1.00 0.27 C ATOM 1343 CE1 PHE A 89 23.057 23.374 1.971 1.00 0.26 C ATOM 1344 CE2 PHE A 89 21.676 21.764 0.823 1.00 0.21 C ATOM 1345 CZ PHE A 89 22.816 22.075 1.581 1.00 0.21 C ATOM 0 H PHE A 89 18.090 24.182 1.550 1.00 0.31 H new ATOM 0 HA PHE A 89 20.195 25.818 2.545 1.00 0.30 H new ATOM 0 HB2 PHE A 89 19.324 24.871 -0.186 1.00 0.33 H new ATOM 0 HB3 PHE A 89 20.631 26.029 -0.037 1.00 0.33 H new ATOM 0 HD1 PHE A 89 22.392 25.417 1.937 1.00 0.24 H new ATOM 0 HD2 PHE A 89 19.905 22.567 -0.124 1.00 0.27 H new ATOM 0 HE1 PHE A 89 23.936 23.597 2.557 1.00 0.26 H new ATOM 0 HE2 PHE A 89 21.484 20.745 0.521 1.00 0.21 H new ATOM 0 HZ PHE A 89 23.507 21.293 1.859 1.00 0.21 H new ATOM 1355 N ARG A 90 17.669 27.371 1.167 1.00 0.36 N ATOM 1356 CA ARG A 90 17.098 28.727 0.956 1.00 0.38 C ATOM 1357 C ARG A 90 16.999 29.393 2.330 1.00 0.30 C ATOM 1358 O ARG A 90 17.377 30.534 2.516 1.00 0.22 O ATOM 1359 CB ARG A 90 15.705 28.606 0.318 1.00 0.52 C ATOM 1360 CG ARG A 90 15.320 29.928 -0.357 1.00 0.55 C ATOM 1361 CD ARG A 90 14.005 29.748 -1.123 1.00 0.86 C ATOM 1362 NE ARG A 90 12.866 29.738 -0.160 1.00 1.22 N ATOM 1363 CZ ARG A 90 11.642 29.850 -0.597 1.00 2.02 C ATOM 1364 NH1 ARG A 90 11.410 29.944 -1.877 1.00 2.21 N ATOM 1365 NH2 ARG A 90 10.646 29.862 0.249 1.00 3.65 N ATOM 0 H ARG A 90 17.019 26.598 1.024 1.00 0.36 H new ATOM 0 HA ARG A 90 17.724 29.320 0.289 1.00 0.38 H new ATOM 0 HB2 ARG A 90 15.701 27.799 -0.415 1.00 0.52 H new ATOM 0 HB3 ARG A 90 14.968 28.349 1.079 1.00 0.52 H new ATOM 0 HG2 ARG A 90 15.212 30.713 0.392 1.00 0.55 H new ATOM 0 HG3 ARG A 90 16.110 30.244 -1.039 1.00 0.55 H new ATOM 0 HD2 ARG A 90 13.878 30.555 -1.844 1.00 0.86 H new ATOM 0 HD3 ARG A 90 14.026 28.816 -1.688 1.00 0.86 H new ATOM 0 HE ARG A 90 13.044 29.644 0.840 1.00 1.22 H new ATOM 0 HH11 ARG A 90 12.186 29.930 -2.538 1.00 2.21 H new ATOM 0 HH12 ARG A 90 10.452 30.031 -2.217 1.00 2.21 H new ATOM 0 HH21 ARG A 90 10.826 29.784 1.250 1.00 3.65 H new ATOM 0 HH22 ARG A 90 9.689 29.950 -0.092 1.00 3.65 H new ATOM 1379 N VAL A 91 16.520 28.662 3.300 1.00 0.34 N ATOM 1380 CA VAL A 91 16.425 29.210 4.686 1.00 0.34 C ATOM 1381 C VAL A 91 17.809 29.721 5.080 1.00 0.23 C ATOM 1382 O VAL A 91 17.971 30.471 6.020 1.00 0.28 O ATOM 1383 CB VAL A 91 16.002 28.070 5.653 1.00 0.43 C ATOM 1384 CG1 VAL A 91 16.565 28.293 7.065 1.00 0.45 C ATOM 1385 CG2 VAL A 91 14.469 27.988 5.727 1.00 0.56 C ATOM 0 H VAL A 91 16.188 27.703 3.192 1.00 0.34 H new ATOM 0 HA VAL A 91 15.692 30.015 4.736 1.00 0.34 H new ATOM 0 HB VAL A 91 16.408 27.136 5.263 1.00 0.43 H new ATOM 0 HG11 VAL A 91 16.250 27.477 7.715 1.00 0.45 H new ATOM 0 HG12 VAL A 91 17.654 28.323 7.022 1.00 0.45 H new ATOM 0 HG13 VAL A 91 16.191 29.237 7.461 1.00 0.45 H new ATOM 0 HG21 VAL A 91 14.180 27.187 6.407 1.00 0.56 H new ATOM 0 HG22 VAL A 91 14.071 28.935 6.092 1.00 0.56 H new ATOM 0 HG23 VAL A 91 14.067 27.784 4.734 1.00 0.56 H new ATOM 1395 N PHE A 92 18.813 29.258 4.392 1.00 0.13 N ATOM 1396 CA PHE A 92 20.212 29.629 4.738 1.00 0.08 C ATOM 1397 C PHE A 92 20.746 30.739 3.832 1.00 0.14 C ATOM 1398 O PHE A 92 21.778 31.324 4.092 1.00 0.25 O ATOM 1399 CB PHE A 92 21.031 28.342 4.621 1.00 0.02 C ATOM 1400 CG PHE A 92 21.042 27.664 5.958 1.00 0.12 C ATOM 1401 CD1 PHE A 92 20.027 26.762 6.326 1.00 0.21 C ATOM 1402 CD2 PHE A 92 22.066 27.967 6.838 1.00 0.19 C ATOM 1403 CE1 PHE A 92 20.050 26.169 7.583 1.00 0.33 C ATOM 1404 CE2 PHE A 92 22.098 27.365 8.103 1.00 0.30 C ATOM 1405 CZ PHE A 92 21.080 26.466 8.474 1.00 0.36 C ATOM 0 H PHE A 92 18.722 28.630 3.594 1.00 0.13 H new ATOM 0 HA PHE A 92 20.274 30.037 5.747 1.00 0.08 H new ATOM 0 HB2 PHE A 92 20.599 27.685 3.866 1.00 0.02 H new ATOM 0 HB3 PHE A 92 22.049 28.568 4.302 1.00 0.02 H new ATOM 0 HD1 PHE A 92 19.231 26.531 5.633 1.00 0.21 H new ATOM 0 HD2 PHE A 92 22.838 28.665 6.551 1.00 0.19 H new ATOM 0 HE1 PHE A 92 19.270 25.479 7.869 1.00 0.33 H new ATOM 0 HE2 PHE A 92 22.900 27.590 8.790 1.00 0.30 H new ATOM 0 HZ PHE A 92 21.097 26.006 9.451 1.00 0.36 H new ATOM 1415 N ASP A 93 20.023 31.066 2.822 1.00 0.15 N ATOM 1416 CA ASP A 93 20.436 32.178 1.916 1.00 0.29 C ATOM 1417 C ASP A 93 19.835 33.478 2.461 1.00 0.46 C ATOM 1418 O ASP A 93 18.955 34.069 1.868 1.00 0.56 O ATOM 1419 CB ASP A 93 19.913 31.924 0.501 1.00 0.34 C ATOM 1420 CG ASP A 93 20.249 33.123 -0.387 1.00 0.49 C ATOM 1421 OD1 ASP A 93 20.998 33.974 0.060 1.00 1.66 O ATOM 1422 OD2 ASP A 93 19.751 33.168 -1.501 1.00 0.91 O ATOM 0 H ASP A 93 19.146 30.611 2.569 1.00 0.15 H new ATOM 0 HA ASP A 93 21.523 32.245 1.875 1.00 0.29 H new ATOM 0 HB2 ASP A 93 20.361 31.018 0.093 1.00 0.34 H new ATOM 0 HB3 ASP A 93 18.835 31.764 0.523 1.00 0.34 H new ATOM 1489 N TYR A 99 24.084 31.685 -2.633 1.00 0.21 N ATOM 1490 CA TYR A 99 25.407 31.144 -2.186 1.00 0.23 C ATOM 1491 C TYR A 99 25.566 31.334 -0.677 1.00 0.22 C ATOM 1492 O TYR A 99 25.181 32.341 -0.116 1.00 0.21 O ATOM 1493 CB TYR A 99 26.532 31.898 -2.900 1.00 0.23 C ATOM 1494 CG TYR A 99 26.438 31.664 -4.391 1.00 0.17 C ATOM 1495 CD1 TYR A 99 25.446 32.309 -5.139 1.00 0.89 C ATOM 1496 CD2 TYR A 99 27.347 30.805 -5.027 1.00 0.72 C ATOM 1497 CE1 TYR A 99 25.360 32.097 -6.520 1.00 1.01 C ATOM 1498 CE2 TYR A 99 27.262 30.593 -6.408 1.00 0.60 C ATOM 1499 CZ TYR A 99 26.267 31.240 -7.155 1.00 0.30 C ATOM 1500 OH TYR A 99 26.184 31.031 -8.518 1.00 0.41 O ATOM 0 HA TYR A 99 25.455 30.082 -2.427 1.00 0.23 H new ATOM 0 HB2 TYR A 99 26.462 32.964 -2.685 1.00 0.23 H new ATOM 0 HB3 TYR A 99 27.500 31.561 -2.530 1.00 0.23 H new ATOM 0 HD1 TYR A 99 24.746 32.971 -4.650 1.00 0.89 H new ATOM 0 HD2 TYR A 99 28.113 30.307 -4.451 1.00 0.72 H new ATOM 0 HE1 TYR A 99 24.594 32.595 -7.096 1.00 1.01 H new ATOM 0 HE2 TYR A 99 27.962 29.932 -6.898 1.00 0.60 H new ATOM 0 HH TYR A 99 26.889 30.410 -8.797 1.00 0.41 H new ATOM 1510 N ILE A 100 26.175 30.378 -0.028 1.00 0.23 N ATOM 1511 CA ILE A 100 26.429 30.476 1.448 1.00 0.23 C ATOM 1512 C ILE A 100 27.823 29.909 1.714 1.00 0.21 C ATOM 1513 O ILE A 100 28.411 29.274 0.859 1.00 0.19 O ATOM 1514 CB ILE A 100 25.385 29.682 2.268 1.00 0.25 C ATOM 1515 CG1 ILE A 100 25.506 28.178 1.948 1.00 0.47 C ATOM 1516 CG2 ILE A 100 23.945 30.184 1.986 1.00 0.13 C ATOM 1517 CD1 ILE A 100 24.288 27.417 2.473 1.00 0.25 C ATOM 0 H ILE A 100 26.514 29.519 -0.461 1.00 0.23 H new ATOM 0 HA ILE A 100 26.354 31.519 1.755 1.00 0.23 H new ATOM 0 HB ILE A 100 25.587 29.841 3.327 1.00 0.25 H new ATOM 0 HG12 ILE A 100 25.594 28.036 0.871 1.00 0.47 H new ATOM 0 HG13 ILE A 100 26.414 27.777 2.398 1.00 0.47 H new ATOM 0 HG21 ILE A 100 23.236 29.605 2.578 1.00 0.13 H new ATOM 0 HG22 ILE A 100 23.868 31.237 2.255 1.00 0.13 H new ATOM 0 HG23 ILE A 100 23.718 30.062 0.927 1.00 0.13 H new ATOM 0 HD11 ILE A 100 24.392 26.358 2.238 1.00 0.25 H new ATOM 0 HD12 ILE A 100 24.218 27.544 3.553 1.00 0.25 H new ATOM 0 HD13 ILE A 100 23.385 27.806 2.003 1.00 0.25 H new ATOM 1529 N SER A 101 28.371 30.123 2.880 1.00 0.22 N ATOM 1530 CA SER A 101 29.736 29.576 3.157 1.00 0.20 C ATOM 1531 C SER A 101 29.631 28.087 3.485 1.00 0.19 C ATOM 1532 O SER A 101 28.719 27.655 4.161 1.00 0.23 O ATOM 1533 CB SER A 101 30.379 30.311 4.338 1.00 0.27 C ATOM 1534 OG SER A 101 29.712 29.949 5.539 1.00 0.44 O ATOM 0 H SER A 101 27.942 30.645 3.644 1.00 0.22 H new ATOM 0 HA SER A 101 30.357 29.719 2.272 1.00 0.20 H new ATOM 0 HB2 SER A 101 31.437 30.057 4.406 1.00 0.27 H new ATOM 0 HB3 SER A 101 30.319 31.389 4.186 1.00 0.27 H new ATOM 0 HG SER A 101 29.364 30.754 5.976 1.00 0.44 H new ATOM 1540 N ALA A 102 30.561 27.300 2.999 1.00 0.19 N ATOM 1541 CA ALA A 102 30.534 25.827 3.264 1.00 0.20 C ATOM 1542 C ALA A 102 30.111 25.547 4.708 1.00 0.19 C ATOM 1543 O ALA A 102 29.479 24.553 4.994 1.00 0.21 O ATOM 1544 CB ALA A 102 31.933 25.254 3.038 1.00 0.24 C ATOM 0 H ALA A 102 31.343 27.618 2.426 1.00 0.19 H new ATOM 0 HA ALA A 102 29.817 25.361 2.588 1.00 0.20 H new ATOM 0 HB1 ALA A 102 31.922 24.181 3.229 1.00 0.24 H new ATOM 0 HB2 ALA A 102 32.239 25.436 2.008 1.00 0.24 H new ATOM 0 HB3 ALA A 102 32.637 25.736 3.716 1.00 0.24 H new ATOM 1550 N ALA A 103 30.444 26.411 5.622 1.00 0.15 N ATOM 1551 CA ALA A 103 30.038 26.167 7.033 1.00 0.15 C ATOM 1552 C ALA A 103 28.517 26.126 7.080 1.00 0.13 C ATOM 1553 O ALA A 103 27.918 25.162 7.512 1.00 0.21 O ATOM 1554 CB ALA A 103 30.560 27.292 7.930 1.00 0.11 C ATOM 0 H ALA A 103 30.974 27.267 5.458 1.00 0.15 H new ATOM 0 HA ALA A 103 30.454 25.225 7.391 1.00 0.15 H new ATOM 0 HB1 ALA A 103 30.258 27.105 8.961 1.00 0.11 H new ATOM 0 HB2 ALA A 103 31.648 27.329 7.871 1.00 0.11 H new ATOM 0 HB3 ALA A 103 30.146 28.244 7.598 1.00 0.11 H new ATOM 1560 N GLU A 104 27.895 27.162 6.613 1.00 0.09 N ATOM 1561 CA GLU A 104 26.410 27.198 6.590 1.00 0.13 C ATOM 1562 C GLU A 104 25.909 25.985 5.797 1.00 0.21 C ATOM 1563 O GLU A 104 24.857 25.443 6.072 1.00 0.25 O ATOM 1564 CB GLU A 104 25.945 28.483 5.897 1.00 0.26 C ATOM 1565 CG GLU A 104 26.033 29.689 6.854 1.00 0.37 C ATOM 1566 CD GLU A 104 27.461 30.243 6.867 1.00 2.01 C ATOM 1567 OE1 GLU A 104 27.742 31.111 6.056 1.00 1.58 O ATOM 1568 OE2 GLU A 104 28.245 29.790 7.686 1.00 3.90 O ATOM 0 H GLU A 104 28.353 27.995 6.242 1.00 0.09 H new ATOM 0 HA GLU A 104 26.017 27.173 7.606 1.00 0.13 H new ATOM 0 HB2 GLU A 104 26.559 28.668 5.016 1.00 0.26 H new ATOM 0 HB3 GLU A 104 24.918 28.363 5.551 1.00 0.26 H new ATOM 0 HG2 GLU A 104 25.336 30.465 6.539 1.00 0.37 H new ATOM 0 HG3 GLU A 104 25.742 29.388 7.860 1.00 0.37 H new ATOM 1575 N LEU A 105 26.659 25.553 4.815 1.00 0.22 N ATOM 1576 CA LEU A 105 26.225 24.376 4.012 1.00 0.30 C ATOM 1577 C LEU A 105 26.272 23.134 4.890 1.00 0.28 C ATOM 1578 O LEU A 105 25.340 22.359 4.939 1.00 0.28 O ATOM 1579 CB LEU A 105 27.167 24.186 2.813 1.00 0.40 C ATOM 1580 CG LEU A 105 26.635 23.060 1.864 1.00 0.29 C ATOM 1581 CD1 LEU A 105 25.968 23.627 0.588 1.00 0.25 C ATOM 1582 CD2 LEU A 105 27.790 22.156 1.429 1.00 0.27 C ATOM 0 H LEU A 105 27.550 25.965 4.537 1.00 0.22 H new ATOM 0 HA LEU A 105 25.211 24.538 3.648 1.00 0.30 H new ATOM 0 HB2 LEU A 105 27.255 25.122 2.261 1.00 0.40 H new ATOM 0 HB3 LEU A 105 28.166 23.929 3.166 1.00 0.40 H new ATOM 0 HG LEU A 105 25.888 22.503 2.430 1.00 0.29 H new ATOM 0 HD11 LEU A 105 25.617 22.805 -0.035 1.00 0.25 H new ATOM 0 HD12 LEU A 105 25.123 24.256 0.868 1.00 0.25 H new ATOM 0 HD13 LEU A 105 26.693 24.220 0.031 1.00 0.25 H new ATOM 0 HD21 LEU A 105 27.412 21.375 0.769 1.00 0.27 H new ATOM 0 HD22 LEU A 105 28.536 22.749 0.900 1.00 0.27 H new ATOM 0 HD23 LEU A 105 28.245 21.699 2.308 1.00 0.27 H new ATOM 1594 N ARG A 106 27.347 22.947 5.598 1.00 0.31 N ATOM 1595 CA ARG A 106 27.442 21.763 6.484 1.00 0.35 C ATOM 1596 C ARG A 106 26.370 21.891 7.561 1.00 0.31 C ATOM 1597 O ARG A 106 25.815 20.915 8.020 1.00 0.34 O ATOM 1598 CB ARG A 106 28.832 21.717 7.136 1.00 0.41 C ATOM 1599 CG ARG A 106 29.850 21.100 6.165 1.00 0.52 C ATOM 1600 CD ARG A 106 31.266 21.526 6.565 1.00 0.57 C ATOM 1601 NE ARG A 106 31.406 21.440 8.044 1.00 0.81 N ATOM 1602 CZ ARG A 106 32.588 21.493 8.595 1.00 1.37 C ATOM 1603 NH1 ARG A 106 33.648 21.638 7.850 1.00 2.13 N ATOM 1604 NH2 ARG A 106 32.708 21.401 9.891 1.00 2.13 N ATOM 0 H ARG A 106 28.161 23.562 5.600 1.00 0.31 H new ATOM 0 HA ARG A 106 27.294 20.847 5.912 1.00 0.35 H new ATOM 0 HB2 ARG A 106 29.146 22.723 7.413 1.00 0.41 H new ATOM 0 HB3 ARG A 106 28.792 21.131 8.054 1.00 0.41 H new ATOM 0 HG2 ARG A 106 29.769 20.013 6.179 1.00 0.52 H new ATOM 0 HG3 ARG A 106 29.637 21.422 5.146 1.00 0.52 H new ATOM 0 HD2 ARG A 106 32.002 20.884 6.081 1.00 0.57 H new ATOM 0 HD3 ARG A 106 31.461 22.544 6.228 1.00 0.57 H new ATOM 0 HE ARG A 106 30.576 21.339 8.629 1.00 0.81 H new ATOM 0 HH11 ARG A 106 33.553 21.710 6.837 1.00 2.13 H new ATOM 0 HH12 ARG A 106 34.572 21.679 8.280 1.00 2.13 H new ATOM 0 HH21 ARG A 106 31.878 21.288 10.473 1.00 2.13 H new ATOM 0 HH22 ARG A 106 33.632 21.442 10.322 1.00 2.13 H new ATOM 1618 N HIS A 107 26.076 23.097 7.961 1.00 0.25 N ATOM 1619 CA HIS A 107 25.043 23.313 9.000 1.00 0.23 C ATOM 1620 C HIS A 107 23.660 23.027 8.405 1.00 0.18 C ATOM 1621 O HIS A 107 22.822 22.419 9.038 1.00 0.19 O ATOM 1622 CB HIS A 107 25.129 24.769 9.480 1.00 0.22 C ATOM 1623 CG HIS A 107 24.526 24.889 10.853 1.00 0.24 C ATOM 1624 ND1 HIS A 107 25.018 24.190 11.944 1.00 0.38 N ATOM 1625 CD2 HIS A 107 23.475 25.624 11.321 1.00 0.33 C ATOM 1626 CE1 HIS A 107 24.262 24.520 13.007 1.00 0.32 C ATOM 1627 NE2 HIS A 107 23.304 25.393 12.682 1.00 0.29 N ATOM 0 H HIS A 107 26.514 23.947 7.606 1.00 0.25 H new ATOM 0 HA HIS A 107 25.205 22.644 9.845 1.00 0.23 H new ATOM 0 HB2 HIS A 107 26.169 25.094 9.500 1.00 0.22 H new ATOM 0 HB3 HIS A 107 24.604 25.423 8.784 1.00 0.22 H new ATOM 0 HD2 HIS A 107 22.867 26.287 10.723 1.00 0.33 H new ATOM 0 HE1 HIS A 107 24.411 24.127 14.002 1.00 0.32 H new ATOM 0 HE2 HIS A 107 22.601 25.801 13.298 1.00 0.29 H new ATOM 1635 N VAL A 108 23.415 23.444 7.189 1.00 0.14 N ATOM 1636 CA VAL A 108 22.091 23.163 6.575 1.00 0.11 C ATOM 1637 C VAL A 108 21.878 21.655 6.580 1.00 0.13 C ATOM 1638 O VAL A 108 20.784 21.163 6.778 1.00 0.12 O ATOM 1639 CB VAL A 108 22.074 23.617 5.109 1.00 0.11 C ATOM 1640 CG1 VAL A 108 20.734 23.208 4.467 1.00 0.12 C ATOM 1641 CG2 VAL A 108 22.267 25.145 5.018 1.00 0.17 C ATOM 0 H VAL A 108 24.070 23.962 6.603 1.00 0.14 H new ATOM 0 HA VAL A 108 21.320 23.690 7.137 1.00 0.11 H new ATOM 0 HB VAL A 108 22.893 23.138 4.573 1.00 0.11 H new ATOM 0 HG11 VAL A 108 20.717 23.528 3.425 1.00 0.12 H new ATOM 0 HG12 VAL A 108 20.623 22.125 4.515 1.00 0.12 H new ATOM 0 HG13 VAL A 108 19.913 23.681 5.006 1.00 0.12 H new ATOM 0 HG21 VAL A 108 22.253 25.452 3.972 1.00 0.17 H new ATOM 0 HG22 VAL A 108 21.461 25.646 5.554 1.00 0.17 H new ATOM 0 HG23 VAL A 108 23.224 25.418 5.463 1.00 0.17 H new ATOM 1651 N MET A 109 22.929 20.920 6.313 1.00 0.16 N ATOM 1652 CA MET A 109 22.809 19.441 6.246 1.00 0.18 C ATOM 1653 C MET A 109 22.611 18.843 7.651 1.00 0.21 C ATOM 1654 O MET A 109 22.003 17.804 7.802 1.00 0.21 O ATOM 1655 CB MET A 109 24.079 18.858 5.607 1.00 0.26 C ATOM 1656 CG MET A 109 24.277 19.463 4.214 1.00 0.26 C ATOM 1657 SD MET A 109 25.996 19.223 3.688 1.00 0.32 S ATOM 1658 CE MET A 109 25.727 17.797 2.606 1.00 0.11 C ATOM 0 H MET A 109 23.865 21.287 6.139 1.00 0.16 H new ATOM 0 HA MET A 109 21.939 19.186 5.641 1.00 0.18 H new ATOM 0 HB2 MET A 109 24.945 19.072 6.234 1.00 0.26 H new ATOM 0 HB3 MET A 109 23.997 17.773 5.535 1.00 0.26 H new ATOM 0 HG2 MET A 109 23.599 18.993 3.502 1.00 0.26 H new ATOM 0 HG3 MET A 109 24.036 20.526 4.230 1.00 0.26 H new ATOM 0 HE1 MET A 109 26.688 17.365 2.328 1.00 0.11 H new ATOM 0 HE2 MET A 109 25.131 17.050 3.130 1.00 0.11 H new ATOM 0 HE3 MET A 109 25.200 18.117 1.707 1.00 0.11 H new ATOM 1668 N THR A 110 23.130 19.471 8.682 1.00 0.27 N ATOM 1669 CA THR A 110 22.984 18.918 10.052 1.00 0.34 C ATOM 1670 C THR A 110 21.644 19.366 10.667 1.00 0.34 C ATOM 1671 O THR A 110 20.940 18.584 11.274 1.00 0.38 O ATOM 1672 CB THR A 110 24.175 19.433 10.894 1.00 0.39 C ATOM 1673 OG1 THR A 110 24.966 20.292 10.092 1.00 0.44 O ATOM 1674 CG2 THR A 110 25.042 18.265 11.377 1.00 0.37 C ATOM 0 H THR A 110 23.650 20.347 8.624 1.00 0.27 H new ATOM 0 HA THR A 110 22.985 17.828 10.029 1.00 0.34 H new ATOM 0 HB THR A 110 23.788 19.966 11.762 1.00 0.39 H new ATOM 0 HG1 THR A 110 25.357 19.781 9.352 1.00 0.44 H new ATOM 0 HG21 THR A 110 25.874 18.649 11.967 1.00 0.37 H new ATOM 0 HG22 THR A 110 24.440 17.595 11.991 1.00 0.37 H new ATOM 0 HG23 THR A 110 25.429 17.719 10.517 1.00 0.37 H new ATOM 1682 N ASN A 111 21.298 20.618 10.530 1.00 0.30 N ATOM 1683 CA ASN A 111 20.021 21.103 11.124 1.00 0.33 C ATOM 1684 C ASN A 111 18.850 20.322 10.538 1.00 0.30 C ATOM 1685 O ASN A 111 17.860 20.070 11.196 1.00 0.32 O ATOM 1686 CB ASN A 111 19.853 22.595 10.825 1.00 0.32 C ATOM 1687 CG ASN A 111 18.696 23.157 11.655 1.00 0.82 C ATOM 1688 OD1 ASN A 111 18.911 23.740 12.699 1.00 1.15 O ATOM 1689 ND2 ASN A 111 17.471 23.006 11.232 1.00 2.33 N ATOM 0 H ASN A 111 21.843 21.323 10.034 1.00 0.30 H new ATOM 0 HA ASN A 111 20.044 20.952 12.203 1.00 0.33 H new ATOM 0 HB2 ASN A 111 20.774 23.129 11.058 1.00 0.32 H new ATOM 0 HB3 ASN A 111 19.658 22.744 9.763 1.00 0.32 H new ATOM 0 HD21 ASN A 111 16.694 23.377 11.778 1.00 2.33 H new ATOM 0 HD22 ASN A 111 17.291 22.517 10.355 1.00 2.33 H new ATOM 1696 N LEU A 112 18.955 19.949 9.304 1.00 0.25 N ATOM 1697 CA LEU A 112 17.847 19.191 8.652 1.00 0.22 C ATOM 1698 C LEU A 112 17.597 17.885 9.402 1.00 0.21 C ATOM 1699 O LEU A 112 16.513 17.338 9.391 1.00 0.20 O ATOM 1700 CB LEU A 112 18.223 18.893 7.189 1.00 0.15 C ATOM 1701 CG LEU A 112 17.728 20.024 6.269 1.00 0.16 C ATOM 1702 CD1 LEU A 112 18.381 19.879 4.888 1.00 0.08 C ATOM 1703 CD2 LEU A 112 16.189 19.978 6.126 1.00 0.19 C ATOM 0 H LEU A 112 19.762 20.134 8.708 1.00 0.25 H new ATOM 0 HA LEU A 112 16.937 19.790 8.676 1.00 0.22 H new ATOM 0 HB2 LEU A 112 19.304 18.788 7.098 1.00 0.15 H new ATOM 0 HB3 LEU A 112 17.784 17.945 6.879 1.00 0.15 H new ATOM 0 HG LEU A 112 18.005 20.982 6.709 1.00 0.16 H new ATOM 0 HD11 LEU A 112 18.032 20.679 4.235 1.00 0.08 H new ATOM 0 HD12 LEU A 112 19.465 19.940 4.990 1.00 0.08 H new ATOM 0 HD13 LEU A 112 18.111 18.915 4.457 1.00 0.08 H new ATOM 0 HD21 LEU A 112 15.860 20.786 5.472 1.00 0.19 H new ATOM 0 HD22 LEU A 112 15.892 19.021 5.698 1.00 0.19 H new ATOM 0 HD23 LEU A 112 15.729 20.095 7.107 1.00 0.19 H new ATOM 1715 N GLY A 113 18.594 17.397 10.042 1.00 0.21 N ATOM 1716 CA GLY A 113 18.458 16.124 10.805 1.00 0.21 C ATOM 1717 C GLY A 113 18.617 14.931 9.858 1.00 0.20 C ATOM 1718 O GLY A 113 17.971 13.914 10.016 1.00 0.35 O ATOM 0 H GLY A 113 19.520 17.822 10.079 1.00 0.21 H new ATOM 0 HA2 GLY A 113 19.211 16.079 11.591 1.00 0.21 H new ATOM 0 HA3 GLY A 113 17.484 16.085 11.294 1.00 0.21 H new ATOM 1722 N GLU A 114 19.471 15.045 8.879 1.00 0.17 N ATOM 1723 CA GLU A 114 19.673 13.918 7.929 1.00 0.31 C ATOM 1724 C GLU A 114 20.594 12.879 8.589 1.00 0.23 C ATOM 1725 O GLU A 114 21.506 13.229 9.311 1.00 0.29 O ATOM 1726 CB GLU A 114 20.321 14.452 6.643 1.00 0.45 C ATOM 1727 CG GLU A 114 19.268 15.160 5.791 1.00 0.55 C ATOM 1728 CD GLU A 114 19.939 15.794 4.569 1.00 1.67 C ATOM 1729 OE1 GLU A 114 20.449 16.893 4.703 1.00 2.67 O ATOM 1730 OE2 GLU A 114 19.927 15.167 3.523 1.00 1.85 O ATOM 0 H GLU A 114 20.039 15.873 8.696 1.00 0.17 H new ATOM 0 HA GLU A 114 18.718 13.455 7.680 1.00 0.31 H new ATOM 0 HB2 GLU A 114 21.127 15.143 6.890 1.00 0.45 H new ATOM 0 HB3 GLU A 114 20.766 13.631 6.081 1.00 0.45 H new ATOM 0 HG2 GLU A 114 18.505 14.449 5.472 1.00 0.55 H new ATOM 0 HG3 GLU A 114 18.764 15.926 6.380 1.00 0.55 H new ATOM 1737 N LYS A 115 20.366 11.603 8.371 1.00 0.22 N ATOM 1738 CA LYS A 115 21.236 10.576 9.016 1.00 0.22 C ATOM 1739 C LYS A 115 22.538 10.432 8.240 1.00 0.28 C ATOM 1740 O LYS A 115 23.081 9.356 8.092 1.00 0.35 O ATOM 1741 CB LYS A 115 20.510 9.236 9.041 1.00 0.29 C ATOM 1742 CG LYS A 115 19.457 9.232 10.157 1.00 0.26 C ATOM 1743 CD LYS A 115 18.466 8.083 9.928 1.00 0.65 C ATOM 1744 CE LYS A 115 19.183 6.727 10.035 1.00 1.17 C ATOM 1745 NZ LYS A 115 19.748 6.357 8.705 1.00 2.46 N ATOM 0 H LYS A 115 19.621 11.235 7.779 1.00 0.22 H new ATOM 0 HA LYS A 115 21.461 10.891 10.035 1.00 0.22 H new ATOM 0 HB2 LYS A 115 20.033 9.053 8.078 1.00 0.29 H new ATOM 0 HB3 LYS A 115 21.225 8.429 9.201 1.00 0.29 H new ATOM 0 HG2 LYS A 115 19.941 9.120 11.127 1.00 0.26 H new ATOM 0 HG3 LYS A 115 18.927 10.184 10.174 1.00 0.26 H new ATOM 0 HD2 LYS A 115 17.662 8.136 10.663 1.00 0.65 H new ATOM 0 HD3 LYS A 115 18.006 8.182 8.945 1.00 0.65 H new ATOM 0 HE2 LYS A 115 19.979 6.782 10.778 1.00 1.17 H new ATOM 0 HE3 LYS A 115 18.485 5.960 10.372 1.00 1.17 H new ATOM 0 HZ1 LYS A 115 19.439 5.397 8.451 1.00 2.46 H new ATOM 0 HZ2 LYS A 115 19.413 7.030 7.986 1.00 2.46 H new ATOM 0 HZ3 LYS A 115 20.787 6.386 8.749 1.00 2.46 H new ATOM 1759 N LEU A 116 23.041 11.520 7.766 1.00 0.32 N ATOM 1760 CA LEU A 116 24.334 11.493 7.003 1.00 0.41 C ATOM 1761 C LEU A 116 25.485 11.734 7.985 1.00 0.33 C ATOM 1762 O LEU A 116 25.395 12.563 8.866 1.00 0.35 O ATOM 1763 CB LEU A 116 24.351 12.587 5.923 1.00 0.57 C ATOM 1764 CG LEU A 116 23.424 12.195 4.751 1.00 1.56 C ATOM 1765 CD1 LEU A 116 23.008 13.451 3.980 1.00 1.89 C ATOM 1766 CD2 LEU A 116 24.150 11.243 3.787 1.00 2.05 C ATOM 0 H LEU A 116 22.620 12.444 7.867 1.00 0.32 H new ATOM 0 HA LEU A 116 24.442 10.524 6.515 1.00 0.41 H new ATOM 0 HB2 LEU A 116 24.027 13.536 6.351 1.00 0.57 H new ATOM 0 HB3 LEU A 116 25.368 12.733 5.559 1.00 0.57 H new ATOM 0 HG LEU A 116 22.545 11.696 5.159 1.00 1.56 H new ATOM 0 HD11 LEU A 116 22.354 13.171 3.154 1.00 1.89 H new ATOM 0 HD12 LEU A 116 22.478 14.129 4.648 1.00 1.89 H new ATOM 0 HD13 LEU A 116 23.895 13.948 3.588 1.00 1.89 H new ATOM 0 HD21 LEU A 116 23.483 10.977 2.967 1.00 2.05 H new ATOM 0 HD22 LEU A 116 25.037 11.736 3.388 1.00 2.05 H new ATOM 0 HD23 LEU A 116 24.446 10.340 4.321 1.00 2.05 H new ATOM 1778 N THR A 117 26.564 11.012 7.842 1.00 0.30 N ATOM 1779 CA THR A 117 27.717 11.196 8.772 1.00 0.23 C ATOM 1780 C THR A 117 28.621 12.320 8.263 1.00 0.25 C ATOM 1781 O THR A 117 28.761 12.528 7.073 1.00 0.22 O ATOM 1782 CB THR A 117 28.523 9.897 8.848 1.00 0.12 C ATOM 1783 OG1 THR A 117 28.902 9.502 7.536 1.00 0.13 O ATOM 1784 CG2 THR A 117 27.674 8.795 9.490 1.00 0.12 C ATOM 0 H THR A 117 26.697 10.302 7.121 1.00 0.30 H new ATOM 0 HA THR A 117 27.340 11.455 9.761 1.00 0.23 H new ATOM 0 HB THR A 117 29.414 10.060 9.454 1.00 0.12 H new ATOM 0 HG1 THR A 117 29.420 8.671 7.581 1.00 0.13 H new ATOM 0 HG21 THR A 117 28.253 7.873 9.541 1.00 0.12 H new ATOM 0 HG22 THR A 117 27.385 9.098 10.496 1.00 0.12 H new ATOM 0 HG23 THR A 117 26.779 8.629 8.890 1.00 0.12 H new ATOM 1792 N ASP A 118 29.242 13.042 9.154 1.00 0.30 N ATOM 1793 CA ASP A 118 30.141 14.149 8.722 1.00 0.35 C ATOM 1794 C ASP A 118 31.158 13.610 7.712 1.00 0.29 C ATOM 1795 O ASP A 118 31.626 14.323 6.845 1.00 0.36 O ATOM 1796 CB ASP A 118 30.883 14.706 9.939 1.00 0.42 C ATOM 1797 CG ASP A 118 29.914 15.513 10.804 1.00 0.53 C ATOM 1798 OD1 ASP A 118 28.941 14.939 11.264 1.00 1.23 O ATOM 1799 OD2 ASP A 118 30.161 16.694 10.994 1.00 1.44 O ATOM 0 H ASP A 118 29.166 12.913 10.163 1.00 0.30 H new ATOM 0 HA ASP A 118 29.550 14.941 8.261 1.00 0.35 H new ATOM 0 HB2 ASP A 118 31.313 13.890 10.520 1.00 0.42 H new ATOM 0 HB3 ASP A 118 31.710 15.338 9.616 1.00 0.42 H new ATOM 1804 N GLU A 119 31.508 12.353 7.816 1.00 0.21 N ATOM 1805 CA GLU A 119 32.496 11.773 6.864 1.00 0.22 C ATOM 1806 C GLU A 119 31.896 11.757 5.455 1.00 0.16 C ATOM 1807 O GLU A 119 32.502 12.212 4.505 1.00 0.20 O ATOM 1808 CB GLU A 119 32.837 10.344 7.292 1.00 0.25 C ATOM 1809 CG GLU A 119 33.533 10.367 8.657 1.00 0.57 C ATOM 1810 CD GLU A 119 32.498 10.613 9.756 1.00 1.44 C ATOM 1811 OE1 GLU A 119 31.899 9.648 10.206 1.00 1.60 O ATOM 1812 OE2 GLU A 119 32.323 11.760 10.134 1.00 2.40 O ATOM 0 H GLU A 119 31.151 11.706 8.519 1.00 0.21 H new ATOM 0 HA GLU A 119 33.403 12.378 6.865 1.00 0.22 H new ATOM 0 HB2 GLU A 119 31.929 9.744 7.346 1.00 0.25 H new ATOM 0 HB3 GLU A 119 33.485 9.877 6.550 1.00 0.25 H new ATOM 0 HG2 GLU A 119 34.046 9.421 8.831 1.00 0.57 H new ATOM 0 HG3 GLU A 119 34.292 11.149 8.676 1.00 0.57 H new ATOM 1819 N GLU A 120 30.707 11.239 5.313 1.00 0.08 N ATOM 1820 CA GLU A 120 30.073 11.200 3.964 1.00 0.08 C ATOM 1821 C GLU A 120 30.122 12.600 3.347 1.00 0.07 C ATOM 1822 O GLU A 120 30.314 12.759 2.159 1.00 0.10 O ATOM 1823 CB GLU A 120 28.615 10.745 4.097 1.00 0.09 C ATOM 1824 CG GLU A 120 28.561 9.226 4.286 1.00 0.10 C ATOM 1825 CD GLU A 120 27.131 8.803 4.621 1.00 0.11 C ATOM 1826 OE1 GLU A 120 26.581 9.343 5.566 1.00 0.12 O ATOM 1827 OE2 GLU A 120 26.609 7.947 3.926 1.00 0.34 O ATOM 0 H GLU A 120 30.149 10.842 6.069 1.00 0.08 H new ATOM 0 HA GLU A 120 30.610 10.500 3.324 1.00 0.08 H new ATOM 0 HB2 GLU A 120 28.145 11.243 4.945 1.00 0.09 H new ATOM 0 HB3 GLU A 120 28.053 11.030 3.208 1.00 0.09 H new ATOM 0 HG2 GLU A 120 28.897 8.724 3.379 1.00 0.10 H new ATOM 0 HG3 GLU A 120 29.237 8.924 5.086 1.00 0.10 H new ATOM 1834 N VAL A 121 29.951 13.613 4.148 1.00 0.04 N ATOM 1835 CA VAL A 121 29.989 15.003 3.616 1.00 0.04 C ATOM 1836 C VAL A 121 31.395 15.320 3.110 1.00 0.04 C ATOM 1837 O VAL A 121 31.571 15.930 2.074 1.00 0.07 O ATOM 1838 CB VAL A 121 29.610 15.979 4.733 1.00 0.04 C ATOM 1839 CG1 VAL A 121 29.794 17.416 4.243 1.00 0.14 C ATOM 1840 CG2 VAL A 121 28.145 15.757 5.121 1.00 0.17 C ATOM 0 H VAL A 121 29.786 13.538 5.152 1.00 0.04 H new ATOM 0 HA VAL A 121 29.283 15.100 2.791 1.00 0.04 H new ATOM 0 HB VAL A 121 30.250 15.808 5.599 1.00 0.04 H new ATOM 0 HG11 VAL A 121 29.524 18.109 5.039 1.00 0.14 H new ATOM 0 HG12 VAL A 121 30.835 17.574 3.962 1.00 0.14 H new ATOM 0 HG13 VAL A 121 29.154 17.590 3.378 1.00 0.14 H new ATOM 0 HG21 VAL A 121 27.870 16.450 5.916 1.00 0.17 H new ATOM 0 HG22 VAL A 121 27.509 15.930 4.253 1.00 0.17 H new ATOM 0 HG23 VAL A 121 28.012 14.733 5.470 1.00 0.17 H new ATOM 1850 N ASP A 122 32.393 14.904 3.830 1.00 0.03 N ATOM 1851 CA ASP A 122 33.792 15.171 3.392 1.00 0.04 C ATOM 1852 C ASP A 122 33.980 14.669 1.959 1.00 0.05 C ATOM 1853 O ASP A 122 34.758 15.211 1.197 1.00 0.10 O ATOM 1854 CB ASP A 122 34.770 14.445 4.319 1.00 0.05 C ATOM 1855 CG ASP A 122 34.671 15.034 5.728 1.00 0.11 C ATOM 1856 OD1 ASP A 122 34.420 16.223 5.832 1.00 0.93 O ATOM 1857 OD2 ASP A 122 34.852 14.289 6.676 1.00 1.09 O ATOM 0 H ASP A 122 32.304 14.389 4.706 1.00 0.03 H new ATOM 0 HA ASP A 122 33.985 16.243 3.432 1.00 0.04 H new ATOM 0 HB2 ASP A 122 34.543 13.379 4.342 1.00 0.05 H new ATOM 0 HB3 ASP A 122 35.788 14.546 3.942 1.00 0.05 H new ATOM 1862 N GLU A 123 33.265 13.644 1.578 1.00 0.08 N ATOM 1863 CA GLU A 123 33.394 13.116 0.191 1.00 0.10 C ATOM 1864 C GLU A 123 32.638 14.069 -0.744 1.00 0.09 C ATOM 1865 O GLU A 123 33.106 14.430 -1.806 1.00 0.07 O ATOM 1866 CB GLU A 123 32.819 11.673 0.157 1.00 0.11 C ATOM 1867 CG GLU A 123 31.737 11.505 -0.921 1.00 1.29 C ATOM 1868 CD GLU A 123 31.284 10.045 -0.961 1.00 1.57 C ATOM 1869 OE1 GLU A 123 32.006 9.206 -0.451 1.00 1.18 O ATOM 1870 OE2 GLU A 123 30.219 9.791 -1.501 1.00 2.72 O ATOM 0 H GLU A 123 32.597 13.150 2.169 1.00 0.08 H new ATOM 0 HA GLU A 123 34.432 13.065 -0.137 1.00 0.10 H new ATOM 0 HB2 GLU A 123 33.627 10.966 -0.029 1.00 0.11 H new ATOM 0 HB3 GLU A 123 32.399 11.428 1.132 1.00 0.11 H new ATOM 0 HG2 GLU A 123 30.889 12.155 -0.705 1.00 1.29 H new ATOM 0 HG3 GLU A 123 32.128 11.803 -1.894 1.00 1.29 H new ATOM 1877 N MET A 124 31.475 14.483 -0.335 1.00 0.11 N ATOM 1878 CA MET A 124 30.672 15.423 -1.161 1.00 0.11 C ATOM 1879 C MET A 124 31.435 16.742 -1.305 1.00 0.10 C ATOM 1880 O MET A 124 31.297 17.451 -2.282 1.00 0.10 O ATOM 1881 CB MET A 124 29.330 15.639 -0.483 1.00 0.10 C ATOM 1882 CG MET A 124 28.589 14.301 -0.360 1.00 0.07 C ATOM 1883 SD MET A 124 26.823 14.618 -0.122 1.00 0.47 S ATOM 1884 CE MET A 124 26.336 12.918 0.260 1.00 0.54 C ATOM 0 H MET A 124 31.041 14.207 0.546 1.00 0.11 H new ATOM 0 HA MET A 124 30.502 15.015 -2.157 1.00 0.11 H new ATOM 0 HB2 MET A 124 29.477 16.076 0.505 1.00 0.10 H new ATOM 0 HB3 MET A 124 28.731 16.345 -1.058 1.00 0.10 H new ATOM 0 HG2 MET A 124 28.745 13.701 -1.257 1.00 0.07 H new ATOM 0 HG3 MET A 124 28.984 13.729 0.479 1.00 0.07 H new ATOM 0 HE1 MET A 124 25.263 12.880 0.445 1.00 0.54 H new ATOM 0 HE2 MET A 124 26.582 12.271 -0.582 1.00 0.54 H new ATOM 0 HE3 MET A 124 26.870 12.577 1.147 1.00 0.54 H new ATOM 1894 N ILE A 125 32.254 17.064 -0.340 1.00 0.10 N ATOM 1895 CA ILE A 125 33.052 18.325 -0.413 1.00 0.10 C ATOM 1896 C ILE A 125 34.257 18.124 -1.349 1.00 0.08 C ATOM 1897 O ILE A 125 34.759 19.066 -1.931 1.00 0.06 O ATOM 1898 CB ILE A 125 33.538 18.671 1.000 1.00 0.10 C ATOM 1899 CG1 ILE A 125 32.342 19.150 1.833 1.00 0.13 C ATOM 1900 CG2 ILE A 125 34.595 19.781 0.931 1.00 0.13 C ATOM 1901 CD1 ILE A 125 32.754 19.309 3.300 1.00 0.18 C ATOM 0 H ILE A 125 32.406 16.506 0.500 1.00 0.10 H new ATOM 0 HA ILE A 125 32.439 19.137 -0.805 1.00 0.10 H new ATOM 0 HB ILE A 125 33.982 17.789 1.461 1.00 0.10 H new ATOM 0 HG12 ILE A 125 31.975 20.100 1.445 1.00 0.13 H new ATOM 0 HG13 ILE A 125 31.523 18.435 1.752 1.00 0.13 H new ATOM 0 HG21 ILE A 125 34.936 20.022 1.938 1.00 0.13 H new ATOM 0 HG22 ILE A 125 35.441 19.441 0.333 1.00 0.13 H new ATOM 0 HG23 ILE A 125 34.160 20.669 0.473 1.00 0.13 H new ATOM 0 HD11 ILE A 125 31.898 19.649 3.883 1.00 0.18 H new ATOM 0 HD12 ILE A 125 33.099 18.350 3.687 1.00 0.18 H new ATOM 0 HD13 ILE A 125 33.558 20.041 3.375 1.00 0.18 H new ATOM 1913 N ARG A 126 34.736 16.912 -1.491 1.00 0.09 N ATOM 1914 CA ARG A 126 35.916 16.669 -2.378 1.00 0.08 C ATOM 1915 C ARG A 126 35.590 17.070 -3.824 1.00 0.05 C ATOM 1916 O ARG A 126 36.327 17.809 -4.443 1.00 0.04 O ATOM 1917 CB ARG A 126 36.306 15.177 -2.329 1.00 0.10 C ATOM 1918 CG ARG A 126 37.232 14.903 -1.135 1.00 0.16 C ATOM 1919 CD ARG A 126 37.742 13.462 -1.206 1.00 0.80 C ATOM 1920 NE ARG A 126 38.719 13.226 -0.106 1.00 0.66 N ATOM 1921 CZ ARG A 126 39.051 12.006 0.220 1.00 1.62 C ATOM 1922 NH1 ARG A 126 38.522 10.995 -0.414 1.00 3.24 N ATOM 1923 NH2 ARG A 126 39.907 11.798 1.181 1.00 1.54 N ATOM 0 H ARG A 126 34.361 16.082 -1.032 1.00 0.09 H new ATOM 0 HA ARG A 126 36.750 17.275 -2.025 1.00 0.08 H new ATOM 0 HB2 ARG A 126 35.409 14.563 -2.250 1.00 0.10 H new ATOM 0 HB3 ARG A 126 36.805 14.895 -3.256 1.00 0.10 H new ATOM 0 HG2 ARG A 126 38.071 15.598 -1.145 1.00 0.16 H new ATOM 0 HG3 ARG A 126 36.695 15.065 -0.200 1.00 0.16 H new ATOM 0 HD2 ARG A 126 36.908 12.765 -1.122 1.00 0.80 H new ATOM 0 HD3 ARG A 126 38.214 13.279 -2.171 1.00 0.80 H new ATOM 0 HE ARG A 126 39.128 14.017 0.392 1.00 0.66 H new ATOM 0 HH11 ARG A 126 37.850 11.158 -1.164 1.00 3.24 H new ATOM 0 HH12 ARG A 126 38.781 10.042 -0.160 1.00 3.24 H new ATOM 0 HH21 ARG A 126 40.317 12.588 1.678 1.00 1.54 H new ATOM 0 HH22 ARG A 126 40.166 10.845 1.436 1.00 1.54 H new ATOM 1937 N GLU A 127 34.512 16.579 -4.381 1.00 0.06 N ATOM 1938 CA GLU A 127 34.196 16.938 -5.800 1.00 0.06 C ATOM 1939 C GLU A 127 33.555 18.337 -5.868 1.00 0.06 C ATOM 1940 O GLU A 127 33.577 18.979 -6.899 1.00 0.08 O ATOM 1941 CB GLU A 127 33.241 15.889 -6.402 1.00 0.10 C ATOM 1942 CG GLU A 127 34.035 14.643 -6.802 1.00 0.07 C ATOM 1943 CD GLU A 127 33.068 13.532 -7.214 1.00 0.67 C ATOM 1944 OE1 GLU A 127 31.932 13.568 -6.771 1.00 1.49 O ATOM 1945 OE2 GLU A 127 33.479 12.663 -7.965 1.00 0.90 O ATOM 0 H GLU A 127 33.846 15.955 -3.925 1.00 0.06 H new ATOM 0 HA GLU A 127 35.122 16.952 -6.375 1.00 0.06 H new ATOM 0 HB2 GLU A 127 32.471 15.625 -5.677 1.00 0.10 H new ATOM 0 HB3 GLU A 127 32.731 16.303 -7.272 1.00 0.10 H new ATOM 0 HG2 GLU A 127 34.709 14.877 -7.626 1.00 0.07 H new ATOM 0 HG3 GLU A 127 34.654 14.310 -5.969 1.00 0.07 H new ATOM 1952 N ALA A 128 33.034 18.842 -4.778 1.00 0.06 N ATOM 1953 CA ALA A 128 32.458 20.206 -4.778 1.00 0.05 C ATOM 1954 C ALA A 128 33.573 21.151 -4.398 1.00 0.02 C ATOM 1955 O ALA A 128 33.629 21.609 -3.282 1.00 0.05 O ATOM 1956 CB ALA A 128 31.346 20.334 -3.747 1.00 0.08 C ATOM 0 H ALA A 128 32.986 18.356 -3.882 1.00 0.06 H new ATOM 0 HA ALA A 128 32.039 20.429 -5.759 1.00 0.05 H new ATOM 0 HB1 ALA A 128 30.943 21.346 -3.771 1.00 0.08 H new ATOM 0 HB2 ALA A 128 30.553 19.622 -3.977 1.00 0.08 H new ATOM 0 HB3 ALA A 128 31.745 20.125 -2.754 1.00 0.08 H new ATOM 1962 N ASP A 129 34.463 21.402 -5.306 1.00 0.10 N ATOM 1963 CA ASP A 129 35.634 22.299 -5.036 1.00 0.14 C ATOM 1964 C ASP A 129 35.185 23.479 -4.174 1.00 0.08 C ATOM 1965 O ASP A 129 34.868 24.551 -4.652 1.00 0.13 O ATOM 1966 CB ASP A 129 36.190 22.800 -6.373 1.00 0.23 C ATOM 1967 CG ASP A 129 36.069 21.694 -7.421 1.00 1.05 C ATOM 1968 OD1 ASP A 129 36.401 20.564 -7.103 1.00 2.10 O ATOM 1969 OD2 ASP A 129 35.648 21.993 -8.526 1.00 1.46 O ATOM 0 H ASP A 129 34.436 21.018 -6.251 1.00 0.10 H new ATOM 0 HA ASP A 129 36.411 21.752 -4.502 1.00 0.14 H new ATOM 0 HB2 ASP A 129 35.643 23.685 -6.698 1.00 0.23 H new ATOM 0 HB3 ASP A 129 37.233 23.094 -6.258 1.00 0.23 H new ATOM 1974 N ILE A 130 35.101 23.235 -2.901 1.00 0.07 N ATOM 1975 CA ILE A 130 34.612 24.253 -1.938 1.00 0.11 C ATOM 1976 C ILE A 130 35.707 25.259 -1.582 1.00 0.15 C ATOM 1977 O ILE A 130 35.518 26.172 -0.802 1.00 0.38 O ATOM 1978 CB ILE A 130 34.129 23.469 -0.702 1.00 0.14 C ATOM 1979 CG1 ILE A 130 32.688 22.869 -0.953 1.00 0.16 C ATOM 1980 CG2 ILE A 130 34.207 24.335 0.554 1.00 0.14 C ATOM 1981 CD1 ILE A 130 31.711 23.181 0.200 1.00 0.22 C ATOM 0 H ILE A 130 35.359 22.345 -2.475 1.00 0.07 H new ATOM 0 HA ILE A 130 33.803 24.846 -2.364 1.00 0.11 H new ATOM 0 HB ILE A 130 34.794 22.622 -0.534 1.00 0.14 H new ATOM 0 HG12 ILE A 130 32.287 23.271 -1.884 1.00 0.16 H new ATOM 0 HG13 ILE A 130 32.764 21.789 -1.079 1.00 0.16 H new ATOM 0 HG21 ILE A 130 33.861 23.761 1.414 1.00 0.14 H new ATOM 0 HG22 ILE A 130 35.239 24.647 0.717 1.00 0.14 H new ATOM 0 HG23 ILE A 130 33.577 25.216 0.429 1.00 0.14 H new ATOM 0 HD11 ILE A 130 30.736 22.747 -0.022 1.00 0.22 H new ATOM 0 HD12 ILE A 130 32.095 22.756 1.127 1.00 0.22 H new ATOM 0 HD13 ILE A 130 31.611 24.261 0.310 1.00 0.22 H new ATOM 2024 N GLY A 134 35.476 30.253 -1.860 1.00 0.25 N ATOM 2025 CA GLY A 134 35.130 30.538 -0.431 1.00 0.06 C ATOM 2026 C GLY A 134 33.640 30.273 -0.198 1.00 0.05 C ATOM 2027 O GLY A 134 33.240 29.826 0.858 1.00 0.09 O ATOM 0 HA2 GLY A 134 35.728 29.911 0.230 1.00 0.06 H new ATOM 0 HA3 GLY A 134 35.367 31.574 -0.189 1.00 0.06 H new ATOM 2031 N GLN A 135 32.822 30.536 -1.186 1.00 0.02 N ATOM 2032 CA GLN A 135 31.351 30.300 -1.064 1.00 0.03 C ATOM 2033 C GLN A 135 30.915 29.383 -2.206 1.00 0.09 C ATOM 2034 O GLN A 135 31.541 29.348 -3.247 1.00 0.18 O ATOM 2035 CB GLN A 135 30.607 31.655 -1.109 1.00 0.18 C ATOM 2036 CG GLN A 135 30.498 32.229 -2.538 1.00 2.09 C ATOM 2037 CD GLN A 135 29.553 33.433 -2.518 1.00 2.22 C ATOM 2038 OE1 GLN A 135 28.996 33.797 -3.535 1.00 3.47 O ATOM 2039 NE2 GLN A 135 29.345 34.069 -1.397 1.00 1.27 N ATOM 0 H GLN A 135 33.117 30.911 -2.088 1.00 0.02 H new ATOM 0 HA GLN A 135 31.110 29.820 -0.115 1.00 0.03 H new ATOM 0 HB2 GLN A 135 29.606 31.529 -0.695 1.00 0.18 H new ATOM 0 HB3 GLN A 135 31.127 32.371 -0.473 1.00 0.18 H new ATOM 0 HG2 GLN A 135 31.482 32.528 -2.900 1.00 2.09 H new ATOM 0 HG3 GLN A 135 30.124 31.468 -3.223 1.00 2.09 H new ATOM 0 HE21 GLN A 135 29.812 33.764 -0.543 1.00 1.27 H new ATOM 0 HE22 GLN A 135 28.715 34.871 -1.375 1.00 1.27 H new ATOM 2048 N VAL A 136 29.871 28.612 -2.020 1.00 0.05 N ATOM 2049 CA VAL A 136 29.434 27.673 -3.094 1.00 0.12 C ATOM 2050 C VAL A 136 27.904 27.657 -3.163 1.00 0.09 C ATOM 2051 O VAL A 136 27.229 27.831 -2.168 1.00 0.05 O ATOM 2052 CB VAL A 136 29.920 26.261 -2.713 1.00 0.14 C ATOM 2053 CG1 VAL A 136 30.134 25.382 -3.954 1.00 0.23 C ATOM 2054 CG2 VAL A 136 31.228 26.358 -1.925 1.00 0.11 C ATOM 0 H VAL A 136 29.305 28.594 -1.172 1.00 0.05 H new ATOM 0 HA VAL A 136 29.842 27.983 -4.056 1.00 0.12 H new ATOM 0 HB VAL A 136 29.148 25.798 -2.099 1.00 0.14 H new ATOM 0 HG11 VAL A 136 30.477 24.394 -3.646 1.00 0.23 H new ATOM 0 HG12 VAL A 136 29.195 25.287 -4.499 1.00 0.23 H new ATOM 0 HG13 VAL A 136 30.883 25.840 -4.600 1.00 0.23 H new ATOM 0 HG21 VAL A 136 31.567 25.357 -1.658 1.00 0.11 H new ATOM 0 HG22 VAL A 136 31.986 26.847 -2.537 1.00 0.11 H new ATOM 0 HG23 VAL A 136 31.064 26.939 -1.018 1.00 0.11 H new ATOM 2064 N ASN A 137 27.354 27.401 -4.315 1.00 0.15 N ATOM 2065 CA ASN A 137 25.899 27.320 -4.428 1.00 0.14 C ATOM 2066 C ASN A 137 25.485 25.945 -3.907 1.00 0.12 C ATOM 2067 O ASN A 137 26.267 25.016 -3.898 1.00 0.25 O ATOM 2068 CB ASN A 137 25.517 27.463 -5.890 1.00 0.15 C ATOM 2069 CG ASN A 137 26.451 26.611 -6.751 1.00 1.31 C ATOM 2070 OD1 ASN A 137 27.275 27.134 -7.476 1.00 2.48 O ATOM 2071 ND2 ASN A 137 26.357 25.310 -6.705 1.00 2.20 N ATOM 0 H ASN A 137 27.866 27.245 -5.183 1.00 0.15 H new ATOM 0 HA ASN A 137 25.404 28.106 -3.857 1.00 0.14 H new ATOM 0 HB2 ASN A 137 24.483 27.150 -6.038 1.00 0.15 H new ATOM 0 HB3 ASN A 137 25.580 28.508 -6.192 1.00 0.15 H new ATOM 0 HD21 ASN A 137 26.974 24.734 -7.277 1.00 2.20 H new ATOM 0 HD22 ASN A 137 25.666 24.870 -6.097 1.00 2.20 H new ATOM 2078 N TYR A 138 24.282 25.812 -3.450 1.00 0.23 N ATOM 2079 CA TYR A 138 23.835 24.497 -2.895 1.00 0.15 C ATOM 2080 C TYR A 138 23.227 23.605 -3.993 1.00 0.09 C ATOM 2081 O TYR A 138 23.326 22.401 -3.917 1.00 0.11 O ATOM 2082 CB TYR A 138 22.792 24.759 -1.799 1.00 0.17 C ATOM 2083 CG TYR A 138 21.944 25.949 -2.186 1.00 0.16 C ATOM 2084 CD1 TYR A 138 20.801 25.766 -2.972 1.00 1.03 C ATOM 2085 CD2 TYR A 138 22.301 27.237 -1.760 1.00 0.94 C ATOM 2086 CE1 TYR A 138 20.013 26.858 -3.329 1.00 1.01 C ATOM 2087 CE2 TYR A 138 21.511 28.332 -2.121 1.00 0.97 C ATOM 2088 CZ TYR A 138 20.364 28.144 -2.905 1.00 0.19 C ATOM 2089 OH TYR A 138 19.583 29.225 -3.260 1.00 0.22 O ATOM 0 H TYR A 138 23.580 26.552 -3.432 1.00 0.23 H new ATOM 0 HA TYR A 138 24.698 23.973 -2.483 1.00 0.15 H new ATOM 0 HB2 TYR A 138 22.163 23.879 -1.663 1.00 0.17 H new ATOM 0 HB3 TYR A 138 23.288 24.947 -0.847 1.00 0.17 H new ATOM 0 HD1 TYR A 138 20.529 24.775 -3.303 1.00 1.03 H new ATOM 0 HD2 TYR A 138 23.184 27.382 -1.155 1.00 0.94 H new ATOM 0 HE1 TYR A 138 19.130 26.712 -3.934 1.00 1.01 H new ATOM 0 HE2 TYR A 138 21.785 29.325 -1.795 1.00 0.97 H new ATOM 0 HH TYR A 138 19.967 30.044 -2.883 1.00 0.22 H new ATOM 2099 N GLU A 139 22.592 24.171 -4.992 1.00 0.23 N ATOM 2100 CA GLU A 139 21.962 23.334 -6.072 1.00 0.19 C ATOM 2101 C GLU A 139 22.875 22.147 -6.431 1.00 0.14 C ATOM 2102 O GLU A 139 22.419 21.028 -6.557 1.00 0.10 O ATOM 2103 CB GLU A 139 21.711 24.217 -7.323 1.00 0.29 C ATOM 2104 CG GLU A 139 20.207 24.472 -7.512 1.00 1.30 C ATOM 2105 CD GLU A 139 19.515 23.165 -7.904 1.00 2.35 C ATOM 2106 OE1 GLU A 139 20.201 22.279 -8.390 1.00 2.40 O ATOM 2107 OE2 GLU A 139 18.314 23.071 -7.714 1.00 3.81 O ATOM 0 H GLU A 139 22.481 25.178 -5.109 1.00 0.23 H new ATOM 0 HA GLU A 139 21.012 22.938 -5.713 1.00 0.19 H new ATOM 0 HB2 GLU A 139 22.236 25.166 -7.216 1.00 0.29 H new ATOM 0 HB3 GLU A 139 22.116 23.727 -8.208 1.00 0.29 H new ATOM 0 HG2 GLU A 139 19.775 24.863 -6.591 1.00 1.30 H new ATOM 0 HG3 GLU A 139 20.049 25.226 -8.283 1.00 1.30 H new ATOM 2114 N GLU A 140 24.147 22.376 -6.591 1.00 0.26 N ATOM 2115 CA GLU A 140 25.055 21.248 -6.934 1.00 0.35 C ATOM 2116 C GLU A 140 25.134 20.286 -5.744 1.00 0.33 C ATOM 2117 O GLU A 140 25.177 19.082 -5.905 1.00 0.44 O ATOM 2118 CB GLU A 140 26.450 21.794 -7.253 1.00 0.47 C ATOM 2119 CG GLU A 140 26.432 22.456 -8.632 1.00 1.19 C ATOM 2120 CD GLU A 140 27.807 23.060 -8.928 1.00 1.73 C ATOM 2121 OE1 GLU A 140 28.680 22.318 -9.350 1.00 1.50 O ATOM 2122 OE2 GLU A 140 27.962 24.254 -8.733 1.00 2.86 O ATOM 0 H GLU A 140 24.595 23.288 -6.500 1.00 0.26 H new ATOM 0 HA GLU A 140 24.671 20.717 -7.805 1.00 0.35 H new ATOM 0 HB2 GLU A 140 26.752 22.516 -6.494 1.00 0.47 H new ATOM 0 HB3 GLU A 140 27.182 20.987 -7.234 1.00 0.47 H new ATOM 0 HG2 GLU A 140 26.174 21.722 -9.396 1.00 1.19 H new ATOM 0 HG3 GLU A 140 25.668 23.232 -8.664 1.00 1.19 H new ATOM 2129 N PHE A 141 25.159 20.811 -4.552 1.00 0.24 N ATOM 2130 CA PHE A 141 25.243 19.931 -3.347 1.00 0.25 C ATOM 2131 C PHE A 141 23.904 19.212 -3.118 1.00 0.30 C ATOM 2132 O PHE A 141 23.871 18.092 -2.650 1.00 0.55 O ATOM 2133 CB PHE A 141 25.614 20.795 -2.108 1.00 0.17 C ATOM 2134 CG PHE A 141 26.939 20.341 -1.537 1.00 0.14 C ATOM 2135 CD1 PHE A 141 26.992 19.191 -0.749 1.00 0.16 C ATOM 2136 CD2 PHE A 141 28.106 21.061 -1.811 1.00 0.17 C ATOM 2137 CE1 PHE A 141 28.213 18.760 -0.229 1.00 0.17 C ATOM 2138 CE2 PHE A 141 29.337 20.619 -1.286 1.00 0.15 C ATOM 2139 CZ PHE A 141 29.381 19.474 -0.496 1.00 0.11 C ATOM 0 H PHE A 141 25.125 21.812 -4.357 1.00 0.24 H new ATOM 0 HA PHE A 141 26.013 19.175 -3.503 1.00 0.25 H new ATOM 0 HB2 PHE A 141 25.672 21.846 -2.392 1.00 0.17 H new ATOM 0 HB3 PHE A 141 24.835 20.712 -1.350 1.00 0.17 H new ATOM 0 HD1 PHE A 141 26.089 18.635 -0.542 1.00 0.16 H new ATOM 0 HD2 PHE A 141 28.064 21.951 -2.422 1.00 0.17 H new ATOM 0 HE1 PHE A 141 28.254 17.871 0.382 1.00 0.17 H new ATOM 0 HE2 PHE A 141 30.244 21.167 -1.496 1.00 0.15 H new ATOM 0 HZ PHE A 141 30.323 19.137 -0.088 1.00 0.11 H new ATOM 2149 N VAL A 142 22.806 19.841 -3.430 1.00 0.10 N ATOM 2150 CA VAL A 142 21.485 19.184 -3.212 1.00 0.21 C ATOM 2151 C VAL A 142 21.403 17.897 -4.039 1.00 0.29 C ATOM 2152 O VAL A 142 21.035 16.850 -3.545 1.00 0.43 O ATOM 2153 CB VAL A 142 20.364 20.130 -3.651 1.00 0.18 C ATOM 2154 CG1 VAL A 142 19.005 19.452 -3.423 1.00 0.24 C ATOM 2155 CG2 VAL A 142 20.447 21.441 -2.844 1.00 0.19 C ATOM 0 H VAL A 142 22.765 20.780 -3.826 1.00 0.10 H new ATOM 0 HA VAL A 142 21.376 18.947 -2.154 1.00 0.21 H new ATOM 0 HB VAL A 142 20.473 20.361 -4.711 1.00 0.18 H new ATOM 0 HG11 VAL A 142 18.206 20.124 -3.735 1.00 0.24 H new ATOM 0 HG12 VAL A 142 18.954 18.533 -4.007 1.00 0.24 H new ATOM 0 HG13 VAL A 142 18.889 19.217 -2.365 1.00 0.24 H new ATOM 0 HG21 VAL A 142 19.648 22.113 -3.158 1.00 0.19 H new ATOM 0 HG22 VAL A 142 20.340 21.222 -1.782 1.00 0.19 H new ATOM 0 HG23 VAL A 142 21.412 21.917 -3.021 1.00 0.19 H new ATOM 2165 N GLN A 143 21.729 17.979 -5.300 1.00 0.27 N ATOM 2166 CA GLN A 143 21.657 16.775 -6.178 1.00 0.39 C ATOM 2167 C GLN A 143 22.654 15.710 -5.703 1.00 0.51 C ATOM 2168 O GLN A 143 22.429 14.528 -5.859 1.00 0.52 O ATOM 2169 CB GLN A 143 21.987 17.179 -7.616 1.00 0.42 C ATOM 2170 CG GLN A 143 20.888 18.103 -8.142 1.00 0.33 C ATOM 2171 CD GLN A 143 21.165 18.450 -9.607 1.00 0.83 C ATOM 2172 OE1 GLN A 143 21.524 19.568 -9.922 1.00 2.09 O ATOM 2173 NE2 GLN A 143 21.010 17.532 -10.520 1.00 1.34 N ATOM 0 H GLN A 143 22.044 18.832 -5.763 1.00 0.27 H new ATOM 0 HA GLN A 143 20.650 16.360 -6.132 1.00 0.39 H new ATOM 0 HB2 GLN A 143 22.952 17.684 -7.652 1.00 0.42 H new ATOM 0 HB3 GLN A 143 22.067 16.293 -8.246 1.00 0.42 H new ATOM 0 HG2 GLN A 143 19.916 17.618 -8.050 1.00 0.33 H new ATOM 0 HG3 GLN A 143 20.847 19.013 -7.544 1.00 0.33 H new ATOM 0 HE21 GLN A 143 20.709 16.594 -10.254 1.00 1.34 H new ATOM 0 HE22 GLN A 143 21.190 17.752 -11.500 1.00 1.34 H new ATOM 2182 N MET A 144 23.752 16.116 -5.129 1.00 0.58 N ATOM 2183 CA MET A 144 24.752 15.113 -4.652 1.00 0.67 C ATOM 2184 C MET A 144 24.164 14.338 -3.467 1.00 0.72 C ATOM 2185 O MET A 144 24.442 13.170 -3.277 1.00 0.80 O ATOM 2186 CB MET A 144 26.039 15.836 -4.216 1.00 0.64 C ATOM 2187 CG MET A 144 26.947 16.082 -5.428 1.00 0.65 C ATOM 2188 SD MET A 144 28.303 17.182 -4.947 1.00 0.62 S ATOM 2189 CE MET A 144 28.748 17.738 -6.609 1.00 1.23 C ATOM 0 H MET A 144 24.002 17.092 -4.969 1.00 0.58 H new ATOM 0 HA MET A 144 24.989 14.418 -5.458 1.00 0.67 H new ATOM 0 HB2 MET A 144 25.789 16.785 -3.742 1.00 0.64 H new ATOM 0 HB3 MET A 144 26.567 15.238 -3.473 1.00 0.64 H new ATOM 0 HG2 MET A 144 27.344 15.136 -5.797 1.00 0.65 H new ATOM 0 HG3 MET A 144 26.374 16.527 -6.242 1.00 0.65 H new ATOM 0 HE1 MET A 144 29.581 18.439 -6.547 1.00 1.23 H new ATOM 0 HE2 MET A 144 29.040 16.880 -7.214 1.00 1.23 H new ATOM 0 HE3 MET A 144 27.892 18.232 -7.069 1.00 1.23 H new ATOM 2199 N MET A 145 23.365 14.982 -2.668 1.00 0.69 N ATOM 2200 CA MET A 145 22.762 14.291 -1.493 1.00 0.74 C ATOM 2201 C MET A 145 21.657 13.336 -1.958 1.00 0.78 C ATOM 2202 O MET A 145 21.323 12.388 -1.276 1.00 0.85 O ATOM 2203 CB MET A 145 22.169 15.335 -0.530 1.00 0.69 C ATOM 2204 CG MET A 145 23.283 16.249 0.031 1.00 0.73 C ATOM 2205 SD MET A 145 22.890 16.703 1.743 1.00 0.76 S ATOM 2206 CE MET A 145 22.253 18.365 1.401 1.00 1.56 C ATOM 0 H MET A 145 23.101 15.961 -2.776 1.00 0.69 H new ATOM 0 HA MET A 145 23.535 13.719 -0.980 1.00 0.74 H new ATOM 0 HB2 MET A 145 21.424 15.937 -1.051 1.00 0.69 H new ATOM 0 HB3 MET A 145 21.656 14.832 0.290 1.00 0.69 H new ATOM 0 HG2 MET A 145 24.244 15.735 -0.009 1.00 0.73 H new ATOM 0 HG3 MET A 145 23.375 17.146 -0.582 1.00 0.73 H new ATOM 0 HE1 MET A 145 21.635 18.696 2.235 1.00 1.56 H new ATOM 0 HE2 MET A 145 23.087 19.055 1.271 1.00 1.56 H new ATOM 0 HE3 MET A 145 21.654 18.345 0.491 1.00 1.56 H new ATOM 2216 N THR A 146 21.083 13.576 -3.107 1.00 0.74 N ATOM 2217 CA THR A 146 20.010 12.699 -3.605 1.00 0.76 C ATOM 2218 C THR A 146 20.628 11.475 -4.274 1.00 0.88 C ATOM 2219 O THR A 146 19.952 10.671 -4.885 1.00 1.68 O ATOM 2220 CB THR A 146 19.225 13.516 -4.614 1.00 0.68 C ATOM 2221 OG1 THR A 146 20.130 14.290 -5.379 1.00 1.07 O ATOM 2222 CG2 THR A 146 18.256 14.437 -3.878 1.00 0.78 C ATOM 0 H THR A 146 21.322 14.354 -3.721 1.00 0.74 H new ATOM 0 HA THR A 146 19.362 12.350 -2.801 1.00 0.76 H new ATOM 0 HB THR A 146 18.660 12.854 -5.271 1.00 0.68 H new ATOM 0 HG1 THR A 146 20.956 13.782 -5.522 1.00 1.07 H new ATOM 0 HG21 THR A 146 17.691 15.025 -4.602 1.00 0.78 H new ATOM 0 HG22 THR A 146 17.568 13.839 -3.281 1.00 0.78 H new ATOM 0 HG23 THR A 146 18.816 15.107 -3.225 1.00 0.78 H new