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 107 HIS : no HD1:sc= -6.32! C(o=-12!,f=-23!) USER MOD Set 1.2: A 111 ASN : amide:sc= -6.16! C(o=-12!,f=-14!) USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot -170:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0.0368 USER MOD Single : A 30 LYS NZ :NH3+ 144:sc= -0.243 (180deg=-1.1) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 MET CE :methyl 152:sc= -0.189 (180deg=-0.336) USER MOD Single : A 38 SER OG : rot -93:sc= 0.698 USER MOD Single : A 41 GLN : amide:sc= -0.18 X(o=-0.18,f=-0.27) USER MOD Single : A 42 ASN : amide:sc= -5.5! K(o=-5.5!,f=-1.5) USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.506 USER MOD Single : A 49 GLN : amide:sc= -0.195 X(o=-0.2,f=-0.62) 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 -126:sc= -0.0337 (180deg=-2.57!) USER MOD Single : A 72 MET CE :methyl -165:sc= -0.832 (180deg=-1.38) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 109 MET CE :methyl -176:sc= -2.29 (180deg=-2.36) USER MOD Single : A 110 THR OG1 : rot -46:sc= -1.07! USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 THR OG1 : rot 180:sc= 0.0025 USER MOD Single : A 124 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 135 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 137 ASN : amide:sc= -6! C(o=-6!,f=-4.7!) USER MOD Single : A 138 TYR OH : rot 0:sc= 0.658 USER MOD Single : A 143 GLN : amide:sc= -0.0473 K(o=-0.047,f=-0.78) USER MOD Single : A 144 MET CE :methyl -102:sc= -0.0037 (180deg=-1.19) USER MOD Single : A 145 MET CE :methyl -156:sc= -1.28 (180deg=-3.87!) USER MOD Single : A 146 THR OG1 : rot -140:sc= -0.142 USER MOD ----------------------------------------------------------------- ATOM 105 N GLN A 8 13.839 1.994 -3.235 1.00 0.18 N ATOM 106 CA GLN A 8 12.502 2.339 -2.674 1.00 0.19 C ATOM 107 C GLN A 8 11.458 1.354 -3.206 1.00 0.18 C ATOM 108 O GLN A 8 10.563 0.941 -2.497 1.00 0.19 O ATOM 109 CB GLN A 8 12.122 3.769 -3.081 1.00 0.18 C ATOM 110 CG GLN A 8 12.870 4.773 -2.201 1.00 0.25 C ATOM 111 CD GLN A 8 12.435 6.196 -2.564 1.00 0.51 C ATOM 112 OE1 GLN A 8 12.378 6.548 -3.726 1.00 0.25 O ATOM 113 NE2 GLN A 8 12.121 7.032 -1.614 1.00 1.07 N ATOM 0 HA GLN A 8 12.538 2.276 -1.586 1.00 0.19 H new ATOM 0 HB2 GLN A 8 12.368 3.936 -4.130 1.00 0.18 H new ATOM 0 HB3 GLN A 8 11.046 3.912 -2.979 1.00 0.18 H new ATOM 0 HG2 GLN A 8 12.663 4.575 -1.149 1.00 0.25 H new ATOM 0 HG3 GLN A 8 13.946 4.664 -2.340 1.00 0.25 H new ATOM 0 HE21 GLN A 8 12.169 6.737 -0.639 1.00 1.07 H new ATOM 0 HE22 GLN A 8 11.828 7.981 -1.846 1.00 1.07 H new ATOM 122 N ILE A 9 11.567 0.968 -4.449 1.00 0.16 N ATOM 123 CA ILE A 9 10.577 0.006 -5.008 1.00 0.15 C ATOM 124 C ILE A 9 10.767 -1.356 -4.336 1.00 0.17 C ATOM 125 O ILE A 9 9.825 -2.098 -4.138 1.00 0.21 O ATOM 126 CB ILE A 9 10.784 -0.125 -6.521 1.00 0.13 C ATOM 127 CG1 ILE A 9 10.399 1.193 -7.201 1.00 0.15 C ATOM 128 CG2 ILE A 9 9.906 -1.257 -7.065 1.00 0.13 C ATOM 129 CD1 ILE A 9 10.810 1.155 -8.673 1.00 0.12 C ATOM 0 H ILE A 9 12.293 1.275 -5.096 1.00 0.16 H new ATOM 0 HA ILE A 9 9.566 0.366 -4.819 1.00 0.15 H new ATOM 0 HB ILE A 9 11.830 -0.351 -6.726 1.00 0.13 H new ATOM 0 HG12 ILE A 9 9.324 1.355 -7.118 1.00 0.15 H new ATOM 0 HG13 ILE A 9 10.887 2.028 -6.699 1.00 0.15 H new ATOM 0 HG21 ILE A 9 10.055 -1.348 -8.141 1.00 0.13 H new ATOM 0 HG22 ILE A 9 10.179 -2.194 -6.580 1.00 0.13 H new ATOM 0 HG23 ILE A 9 8.858 -1.035 -6.861 1.00 0.13 H new ATOM 0 HD11 ILE A 9 10.534 2.094 -9.152 1.00 0.12 H new ATOM 0 HD12 ILE A 9 11.888 1.013 -8.746 1.00 0.12 H new ATOM 0 HD13 ILE A 9 10.301 0.330 -9.172 1.00 0.12 H new ATOM 141 N ALA A 10 11.978 -1.691 -3.981 1.00 0.18 N ATOM 142 CA ALA A 10 12.222 -3.001 -3.319 1.00 0.20 C ATOM 143 C ALA A 10 11.729 -2.932 -1.867 1.00 0.23 C ATOM 144 O ALA A 10 11.043 -3.817 -1.402 1.00 0.34 O ATOM 145 CB ALA A 10 13.726 -3.332 -3.364 1.00 0.22 C ATOM 0 H ALA A 10 12.807 -1.114 -4.121 1.00 0.18 H new ATOM 0 HA ALA A 10 11.678 -3.788 -3.842 1.00 0.20 H new ATOM 0 HB1 ALA A 10 13.902 -4.292 -2.878 1.00 0.22 H new ATOM 0 HB2 ALA A 10 14.056 -3.384 -4.401 1.00 0.22 H new ATOM 0 HB3 ALA A 10 14.285 -2.554 -2.844 1.00 0.22 H new ATOM 151 N GLU A 11 12.059 -1.889 -1.149 1.00 0.19 N ATOM 152 CA GLU A 11 11.596 -1.782 0.261 1.00 0.19 C ATOM 153 C GLU A 11 10.083 -2.013 0.310 1.00 0.17 C ATOM 154 O GLU A 11 9.579 -2.721 1.160 1.00 0.18 O ATOM 155 CB GLU A 11 11.950 -0.372 0.799 1.00 0.20 C ATOM 156 CG GLU A 11 12.862 -0.478 2.024 1.00 0.78 C ATOM 157 CD GLU A 11 13.388 0.911 2.394 1.00 0.88 C ATOM 158 OE1 GLU A 11 14.266 1.394 1.698 1.00 1.82 O ATOM 159 OE2 GLU A 11 12.906 1.465 3.367 1.00 0.73 O ATOM 0 H GLU A 11 12.628 -1.110 -1.480 1.00 0.19 H new ATOM 0 HA GLU A 11 12.086 -2.532 0.882 1.00 0.19 H new ATOM 0 HB2 GLU A 11 12.445 0.207 0.019 1.00 0.20 H new ATOM 0 HB3 GLU A 11 11.037 0.162 1.063 1.00 0.20 H new ATOM 0 HG2 GLU A 11 12.313 -0.905 2.863 1.00 0.78 H new ATOM 0 HG3 GLU A 11 13.695 -1.149 1.813 1.00 0.78 H new ATOM 166 N PHE A 12 9.360 -1.422 -0.593 1.00 0.18 N ATOM 167 CA PHE A 12 7.887 -1.611 -0.598 1.00 0.17 C ATOM 168 C PHE A 12 7.572 -3.048 -1.001 1.00 0.18 C ATOM 169 O PHE A 12 6.621 -3.640 -0.528 1.00 0.17 O ATOM 170 CB PHE A 12 7.248 -0.659 -1.611 1.00 0.19 C ATOM 171 CG PHE A 12 7.607 0.805 -1.355 1.00 0.20 C ATOM 172 CD1 PHE A 12 8.183 1.250 -0.139 1.00 0.33 C ATOM 173 CD2 PHE A 12 7.339 1.736 -2.369 1.00 0.49 C ATOM 174 CE1 PHE A 12 8.475 2.610 0.035 1.00 0.34 C ATOM 175 CE2 PHE A 12 7.636 3.089 -2.186 1.00 0.56 C ATOM 176 CZ PHE A 12 8.202 3.528 -0.984 1.00 0.35 C ATOM 0 H PHE A 12 9.724 -0.816 -1.328 1.00 0.18 H new ATOM 0 HA PHE A 12 7.491 -1.404 0.396 1.00 0.17 H new ATOM 0 HB2 PHE A 12 7.567 -0.937 -2.615 1.00 0.19 H new ATOM 0 HB3 PHE A 12 6.165 -0.774 -1.578 1.00 0.19 H new ATOM 0 HD1 PHE A 12 8.396 0.544 0.650 1.00 0.33 H new ATOM 0 HD2 PHE A 12 6.900 1.405 -3.298 1.00 0.49 H new ATOM 0 HE1 PHE A 12 8.913 2.951 0.961 1.00 0.34 H new ATOM 0 HE2 PHE A 12 7.428 3.798 -2.974 1.00 0.56 H new ATOM 0 HZ PHE A 12 8.428 4.575 -0.843 1.00 0.35 H new ATOM 186 N LYS A 13 8.356 -3.618 -1.871 1.00 0.19 N ATOM 187 CA LYS A 13 8.085 -5.016 -2.296 1.00 0.19 C ATOM 188 C LYS A 13 8.212 -5.952 -1.091 1.00 0.19 C ATOM 189 O LYS A 13 7.393 -6.828 -0.896 1.00 0.20 O ATOM 190 CB LYS A 13 9.082 -5.429 -3.388 1.00 0.20 C ATOM 191 CG LYS A 13 8.791 -6.880 -3.859 1.00 0.20 C ATOM 192 CD LYS A 13 8.933 -6.987 -5.391 1.00 0.27 C ATOM 193 CE LYS A 13 7.630 -6.538 -6.082 1.00 0.33 C ATOM 194 NZ LYS A 13 6.744 -7.721 -6.274 1.00 1.69 N ATOM 0 H LYS A 13 9.168 -3.178 -2.304 1.00 0.19 H new ATOM 0 HA LYS A 13 7.073 -5.083 -2.696 1.00 0.19 H new ATOM 0 HB2 LYS A 13 9.012 -4.744 -4.233 1.00 0.20 H new ATOM 0 HB3 LYS A 13 10.100 -5.360 -3.006 1.00 0.20 H new ATOM 0 HG2 LYS A 13 9.480 -7.571 -3.374 1.00 0.20 H new ATOM 0 HG3 LYS A 13 7.784 -7.171 -3.560 1.00 0.20 H new ATOM 0 HD2 LYS A 13 9.764 -6.369 -5.730 1.00 0.27 H new ATOM 0 HD3 LYS A 13 9.165 -8.015 -5.671 1.00 0.27 H new ATOM 0 HE2 LYS A 13 7.125 -5.785 -5.478 1.00 0.33 H new ATOM 0 HE3 LYS A 13 7.855 -6.077 -7.044 1.00 0.33 H new ATOM 0 HZ1 LYS A 13 5.863 -7.423 -6.740 1.00 1.69 H new ATOM 0 HZ2 LYS A 13 7.228 -8.425 -6.867 1.00 1.69 H new ATOM 0 HZ3 LYS A 13 6.521 -8.142 -5.349 1.00 1.69 H new ATOM 208 N GLU A 14 9.220 -5.776 -0.274 1.00 0.19 N ATOM 209 CA GLU A 14 9.355 -6.672 0.913 1.00 0.20 C ATOM 210 C GLU A 14 8.184 -6.424 1.859 1.00 0.18 C ATOM 211 O GLU A 14 7.559 -7.343 2.354 1.00 0.19 O ATOM 212 CB GLU A 14 10.668 -6.387 1.655 1.00 0.22 C ATOM 213 CG GLU A 14 11.816 -6.225 0.651 1.00 0.19 C ATOM 214 CD GLU A 14 13.156 -6.489 1.345 1.00 0.53 C ATOM 215 OE1 GLU A 14 13.619 -5.607 2.051 1.00 1.84 O ATOM 216 OE2 GLU A 14 13.692 -7.570 1.162 1.00 0.65 O ATOM 0 H GLU A 14 9.943 -5.064 -0.375 1.00 0.19 H new ATOM 0 HA GLU A 14 9.358 -7.708 0.576 1.00 0.20 H new ATOM 0 HB2 GLU A 14 10.567 -5.482 2.254 1.00 0.22 H new ATOM 0 HB3 GLU A 14 10.890 -7.202 2.344 1.00 0.22 H new ATOM 0 HG2 GLU A 14 11.684 -6.918 -0.180 1.00 0.19 H new ATOM 0 HG3 GLU A 14 11.805 -5.219 0.232 1.00 0.19 H new ATOM 223 N ALA A 15 7.886 -5.184 2.115 1.00 0.17 N ATOM 224 CA ALA A 15 6.757 -4.859 3.032 1.00 0.16 C ATOM 225 C ALA A 15 5.440 -5.331 2.416 1.00 0.15 C ATOM 226 O ALA A 15 4.495 -5.649 3.110 1.00 0.16 O ATOM 227 CB ALA A 15 6.700 -3.345 3.253 1.00 0.13 C ATOM 0 H ALA A 15 8.376 -4.377 1.729 1.00 0.17 H new ATOM 0 HA ALA A 15 6.911 -5.363 3.986 1.00 0.16 H new ATOM 0 HB1 ALA A 15 5.875 -3.106 3.924 1.00 0.13 H new ATOM 0 HB2 ALA A 15 7.637 -3.006 3.696 1.00 0.13 H new ATOM 0 HB3 ALA A 15 6.548 -2.843 2.297 1.00 0.13 H new ATOM 233 N PHE A 16 5.370 -5.371 1.117 1.00 0.15 N ATOM 234 CA PHE A 16 4.113 -5.813 0.447 1.00 0.14 C ATOM 235 C PHE A 16 3.985 -7.336 0.510 1.00 0.18 C ATOM 236 O PHE A 16 2.930 -7.867 0.794 1.00 0.18 O ATOM 237 CB PHE A 16 4.145 -5.364 -1.013 1.00 0.13 C ATOM 238 CG PHE A 16 2.780 -5.530 -1.624 1.00 0.12 C ATOM 239 CD1 PHE A 16 1.838 -4.497 -1.520 1.00 0.13 C ATOM 240 CD2 PHE A 16 2.459 -6.709 -2.304 1.00 0.12 C ATOM 241 CE1 PHE A 16 0.573 -4.647 -2.096 1.00 0.12 C ATOM 242 CE2 PHE A 16 1.195 -6.858 -2.884 1.00 0.12 C ATOM 243 CZ PHE A 16 0.252 -5.825 -2.780 1.00 0.12 C ATOM 0 H PHE A 16 6.130 -5.116 0.486 1.00 0.15 H new ATOM 0 HA PHE A 16 3.258 -5.369 0.957 1.00 0.14 H new ATOM 0 HB2 PHE A 16 4.458 -4.322 -1.076 1.00 0.13 H new ATOM 0 HB3 PHE A 16 4.877 -5.951 -1.568 1.00 0.13 H new ATOM 0 HD1 PHE A 16 2.089 -3.587 -0.996 1.00 0.13 H new ATOM 0 HD2 PHE A 16 3.186 -7.504 -2.381 1.00 0.12 H new ATOM 0 HE1 PHE A 16 -0.156 -3.854 -2.013 1.00 0.12 H new ATOM 0 HE2 PHE A 16 0.946 -7.767 -3.411 1.00 0.12 H new ATOM 0 HZ PHE A 16 -0.724 -5.939 -3.229 1.00 0.12 H new ATOM 253 N SER A 17 5.043 -8.041 0.234 1.00 0.20 N ATOM 254 CA SER A 17 4.973 -9.527 0.267 1.00 0.24 C ATOM 255 C SER A 17 4.826 -10.019 1.714 1.00 0.19 C ATOM 256 O SER A 17 4.353 -11.111 1.958 1.00 0.17 O ATOM 257 CB SER A 17 6.247 -10.104 -0.354 1.00 0.31 C ATOM 258 OG SER A 17 6.135 -10.064 -1.771 1.00 1.91 O ATOM 0 H SER A 17 5.954 -7.654 -0.013 1.00 0.20 H new ATOM 0 HA SER A 17 4.105 -9.860 -0.302 1.00 0.24 H new ATOM 0 HB2 SER A 17 7.116 -9.531 -0.029 1.00 0.31 H new ATOM 0 HB3 SER A 17 6.398 -11.130 -0.018 1.00 0.31 H new ATOM 0 HG SER A 17 6.949 -10.431 -2.174 1.00 1.91 H new ATOM 264 N LEU A 18 5.227 -9.231 2.677 1.00 0.20 N ATOM 265 CA LEU A 18 5.102 -9.678 4.093 1.00 0.17 C ATOM 266 C LEU A 18 3.635 -10.018 4.395 1.00 0.17 C ATOM 267 O LEU A 18 3.344 -10.717 5.345 1.00 0.16 O ATOM 268 CB LEU A 18 5.588 -8.553 5.042 1.00 0.14 C ATOM 269 CG LEU A 18 7.073 -8.746 5.421 1.00 0.22 C ATOM 270 CD1 LEU A 18 7.535 -7.555 6.279 1.00 0.25 C ATOM 271 CD2 LEU A 18 7.264 -10.065 6.215 1.00 0.32 C ATOM 0 H LEU A 18 5.632 -8.304 2.545 1.00 0.20 H new ATOM 0 HA LEU A 18 5.717 -10.565 4.249 1.00 0.17 H new ATOM 0 HB2 LEU A 18 5.456 -7.584 4.560 1.00 0.14 H new ATOM 0 HB3 LEU A 18 4.977 -8.546 5.945 1.00 0.14 H new ATOM 0 HG LEU A 18 7.668 -8.800 4.509 1.00 0.22 H new ATOM 0 HD11 LEU A 18 8.583 -7.686 6.549 1.00 0.25 H new ATOM 0 HD12 LEU A 18 7.419 -6.631 5.712 1.00 0.25 H new ATOM 0 HD13 LEU A 18 6.930 -7.503 7.184 1.00 0.25 H new ATOM 0 HD21 LEU A 18 8.316 -10.185 6.474 1.00 0.32 H new ATOM 0 HD22 LEU A 18 6.668 -10.030 7.127 1.00 0.32 H new ATOM 0 HD23 LEU A 18 6.943 -10.908 5.603 1.00 0.32 H new ATOM 283 N PHE A 19 2.710 -9.515 3.608 1.00 0.18 N ATOM 284 CA PHE A 19 1.256 -9.796 3.862 1.00 0.18 C ATOM 285 C PHE A 19 0.619 -10.460 2.640 1.00 0.20 C ATOM 286 O PHE A 19 -0.586 -10.466 2.484 1.00 0.23 O ATOM 287 CB PHE A 19 0.556 -8.475 4.168 1.00 0.16 C ATOM 288 CG PHE A 19 1.212 -7.869 5.381 1.00 0.16 C ATOM 289 CD1 PHE A 19 2.419 -7.174 5.247 1.00 0.14 C ATOM 290 CD2 PHE A 19 0.626 -8.019 6.642 1.00 0.18 C ATOM 291 CE1 PHE A 19 3.038 -6.623 6.373 1.00 0.14 C ATOM 292 CE2 PHE A 19 1.245 -7.467 7.770 1.00 0.18 C ATOM 293 CZ PHE A 19 2.451 -6.768 7.636 1.00 0.15 C ATOM 0 H PHE A 19 2.899 -8.922 2.800 1.00 0.18 H new ATOM 0 HA PHE A 19 1.154 -10.477 4.707 1.00 0.18 H new ATOM 0 HB2 PHE A 19 0.631 -7.798 3.317 1.00 0.16 H new ATOM 0 HB3 PHE A 19 -0.506 -8.640 4.352 1.00 0.16 H new ATOM 0 HD1 PHE A 19 2.873 -7.063 4.273 1.00 0.14 H new ATOM 0 HD2 PHE A 19 -0.303 -8.560 6.746 1.00 0.18 H new ATOM 0 HE1 PHE A 19 3.969 -6.086 6.269 1.00 0.14 H new ATOM 0 HE2 PHE A 19 0.792 -7.580 8.744 1.00 0.18 H new ATOM 0 HZ PHE A 19 2.928 -6.341 8.506 1.00 0.15 H new ATOM 303 N ASP A 20 1.417 -11.043 1.784 1.00 0.20 N ATOM 304 CA ASP A 20 0.864 -11.736 0.578 1.00 0.23 C ATOM 305 C ASP A 20 0.828 -13.244 0.863 1.00 0.20 C ATOM 306 O ASP A 20 1.590 -14.010 0.306 1.00 0.19 O ATOM 307 CB ASP A 20 1.774 -11.469 -0.624 1.00 0.24 C ATOM 308 CG ASP A 20 1.276 -12.266 -1.831 1.00 0.26 C ATOM 309 OD1 ASP A 20 0.081 -12.500 -1.910 1.00 1.31 O ATOM 310 OD2 ASP A 20 2.097 -12.628 -2.656 1.00 0.92 O ATOM 0 H ASP A 20 2.433 -11.070 1.867 1.00 0.20 H new ATOM 0 HA ASP A 20 -0.138 -11.368 0.358 1.00 0.23 H new ATOM 0 HB2 ASP A 20 1.783 -10.404 -0.857 1.00 0.24 H new ATOM 0 HB3 ASP A 20 2.800 -11.752 -0.387 1.00 0.24 H new ATOM 315 N LYS A 21 -0.034 -13.667 1.748 1.00 0.20 N ATOM 316 CA LYS A 21 -0.104 -15.120 2.103 1.00 0.19 C ATOM 317 C LYS A 21 -0.686 -15.938 0.955 1.00 0.19 C ATOM 318 O LYS A 21 -0.761 -17.149 1.017 1.00 0.24 O ATOM 319 CB LYS A 21 -0.988 -15.299 3.336 1.00 0.22 C ATOM 320 CG LYS A 21 -0.431 -14.480 4.508 1.00 0.30 C ATOM 321 CD LYS A 21 0.759 -15.203 5.154 1.00 0.31 C ATOM 322 CE LYS A 21 1.094 -14.540 6.493 1.00 0.44 C ATOM 323 NZ LYS A 21 2.463 -14.950 6.922 1.00 0.77 N ATOM 0 H LYS A 21 -0.696 -13.070 2.243 1.00 0.20 H new ATOM 0 HA LYS A 21 0.908 -15.471 2.305 1.00 0.19 H new ATOM 0 HB2 LYS A 21 -2.006 -14.982 3.112 1.00 0.22 H new ATOM 0 HB3 LYS A 21 -1.035 -16.353 3.609 1.00 0.22 H new ATOM 0 HG2 LYS A 21 -0.119 -13.497 4.156 1.00 0.30 H new ATOM 0 HG3 LYS A 21 -1.213 -14.319 5.251 1.00 0.30 H new ATOM 0 HD2 LYS A 21 0.519 -16.255 5.307 1.00 0.31 H new ATOM 0 HD3 LYS A 21 1.624 -15.166 4.491 1.00 0.31 H new ATOM 0 HE2 LYS A 21 1.041 -13.456 6.397 1.00 0.44 H new ATOM 0 HE3 LYS A 21 0.363 -14.830 7.248 1.00 0.44 H new ATOM 0 HZ1 LYS A 21 2.691 -14.500 7.831 1.00 0.77 H new ATOM 0 HZ2 LYS A 21 2.498 -15.984 7.029 1.00 0.77 H new ATOM 0 HZ3 LYS A 21 3.155 -14.652 6.205 1.00 0.77 H new ATOM 337 N ASP A 22 -1.104 -15.289 -0.086 1.00 0.21 N ATOM 338 CA ASP A 22 -1.699 -16.017 -1.252 1.00 0.25 C ATOM 339 C ASP A 22 -0.653 -16.169 -2.359 1.00 0.20 C ATOM 340 O ASP A 22 -0.929 -16.713 -3.410 1.00 0.28 O ATOM 341 CB ASP A 22 -2.885 -15.217 -1.794 1.00 0.34 C ATOM 342 CG ASP A 22 -3.915 -15.017 -0.682 1.00 0.41 C ATOM 343 OD1 ASP A 22 -3.733 -15.593 0.377 1.00 1.12 O ATOM 344 OD2 ASP A 22 -4.868 -14.291 -0.910 1.00 0.72 O ATOM 0 H ASP A 22 -1.063 -14.275 -0.189 1.00 0.21 H new ATOM 0 HA ASP A 22 -2.030 -17.004 -0.928 1.00 0.25 H new ATOM 0 HB2 ASP A 22 -2.545 -14.251 -2.168 1.00 0.34 H new ATOM 0 HB3 ASP A 22 -3.339 -15.743 -2.634 1.00 0.34 H new ATOM 349 N GLY A 23 0.544 -15.692 -2.143 1.00 0.14 N ATOM 350 CA GLY A 23 1.594 -15.813 -3.194 1.00 0.23 C ATOM 351 C GLY A 23 1.021 -15.341 -4.528 1.00 0.15 C ATOM 352 O GLY A 23 1.486 -15.715 -5.588 1.00 0.14 O ATOM 0 H GLY A 23 0.839 -15.225 -1.286 1.00 0.14 H new ATOM 0 HA2 GLY A 23 2.465 -15.215 -2.926 1.00 0.23 H new ATOM 0 HA3 GLY A 23 1.929 -16.847 -3.273 1.00 0.23 H new ATOM 356 N ASP A 24 0.005 -14.521 -4.480 1.00 0.10 N ATOM 357 CA ASP A 24 -0.624 -14.013 -5.737 1.00 0.10 C ATOM 358 C ASP A 24 -0.107 -12.604 -6.033 1.00 0.11 C ATOM 359 O ASP A 24 -0.435 -12.012 -7.042 1.00 0.16 O ATOM 360 CB ASP A 24 -2.145 -13.963 -5.556 1.00 0.16 C ATOM 361 CG ASP A 24 -2.816 -13.771 -6.918 1.00 0.28 C ATOM 362 OD1 ASP A 24 -3.025 -14.762 -7.599 1.00 1.32 O ATOM 363 OD2 ASP A 24 -3.112 -12.637 -7.255 1.00 0.82 O ATOM 0 H ASP A 24 -0.420 -14.178 -3.618 1.00 0.10 H new ATOM 0 HA ASP A 24 -0.372 -14.676 -6.564 1.00 0.10 H new ATOM 0 HB2 ASP A 24 -2.497 -14.884 -5.092 1.00 0.16 H new ATOM 0 HB3 ASP A 24 -2.415 -13.146 -4.887 1.00 0.16 H new ATOM 368 N GLY A 25 0.707 -12.063 -5.167 1.00 0.18 N ATOM 369 CA GLY A 25 1.246 -10.695 -5.410 1.00 0.25 C ATOM 370 C GLY A 25 0.194 -9.643 -5.033 1.00 0.25 C ATOM 371 O GLY A 25 0.195 -8.551 -5.561 1.00 0.28 O ATOM 0 H GLY A 25 1.021 -12.508 -4.305 1.00 0.18 H new ATOM 0 HA2 GLY A 25 2.152 -10.542 -4.823 1.00 0.25 H new ATOM 0 HA3 GLY A 25 1.523 -10.585 -6.458 1.00 0.25 H new ATOM 375 N THR A 26 -0.707 -9.953 -4.120 1.00 0.21 N ATOM 376 CA THR A 26 -1.748 -8.951 -3.720 1.00 0.22 C ATOM 377 C THR A 26 -1.981 -9.008 -2.209 1.00 0.18 C ATOM 378 O THR A 26 -1.579 -9.937 -1.538 1.00 0.18 O ATOM 379 CB THR A 26 -3.067 -9.247 -4.438 1.00 0.24 C ATOM 380 OG1 THR A 26 -3.596 -10.478 -3.964 1.00 0.24 O ATOM 381 CG2 THR A 26 -2.831 -9.333 -5.947 1.00 0.27 C ATOM 0 H THR A 26 -0.763 -10.851 -3.640 1.00 0.21 H new ATOM 0 HA THR A 26 -1.395 -7.958 -3.998 1.00 0.22 H new ATOM 0 HB THR A 26 -3.776 -8.444 -4.236 1.00 0.24 H new ATOM 0 HG1 THR A 26 -4.442 -10.668 -4.421 1.00 0.24 H new ATOM 0 HG21 THR A 26 -3.774 -9.544 -6.451 1.00 0.27 H new ATOM 0 HG22 THR A 26 -2.431 -8.385 -6.307 1.00 0.27 H new ATOM 0 HG23 THR A 26 -2.120 -10.131 -6.159 1.00 0.27 H new ATOM 389 N ILE A 27 -2.645 -8.015 -1.671 1.00 0.17 N ATOM 390 CA ILE A 27 -2.933 -7.987 -0.203 1.00 0.15 C ATOM 391 C ILE A 27 -4.353 -7.462 0.007 1.00 0.17 C ATOM 392 O ILE A 27 -4.955 -6.913 -0.894 1.00 0.19 O ATOM 393 CB ILE A 27 -1.934 -7.062 0.504 1.00 0.12 C ATOM 394 CG1 ILE A 27 -2.020 -5.648 -0.098 1.00 0.10 C ATOM 395 CG2 ILE A 27 -0.517 -7.620 0.325 1.00 0.12 C ATOM 396 CD1 ILE A 27 -1.081 -4.698 0.652 1.00 0.11 C ATOM 0 H ILE A 27 -3.003 -7.214 -2.192 1.00 0.17 H new ATOM 0 HA ILE A 27 -2.841 -8.991 0.211 1.00 0.15 H new ATOM 0 HB ILE A 27 -2.172 -7.009 1.566 1.00 0.12 H new ATOM 0 HG12 ILE A 27 -1.752 -5.677 -1.154 1.00 0.10 H new ATOM 0 HG13 ILE A 27 -3.045 -5.281 -0.039 1.00 0.10 H new ATOM 0 HG21 ILE A 27 0.197 -6.966 0.826 1.00 0.12 H new ATOM 0 HG22 ILE A 27 -0.462 -8.618 0.759 1.00 0.12 H new ATOM 0 HG23 ILE A 27 -0.278 -7.673 -0.737 1.00 0.12 H new ATOM 0 HD11 ILE A 27 -1.150 -3.701 0.218 1.00 0.11 H new ATOM 0 HD12 ILE A 27 -1.368 -4.657 1.703 1.00 0.11 H new ATOM 0 HD13 ILE A 27 -0.056 -5.060 0.570 1.00 0.11 H new ATOM 408 N THR A 28 -4.898 -7.614 1.183 1.00 0.18 N ATOM 409 CA THR A 28 -6.277 -7.108 1.427 1.00 0.21 C ATOM 410 C THR A 28 -6.223 -5.679 1.954 1.00 0.20 C ATOM 411 O THR A 28 -5.188 -5.194 2.365 1.00 0.17 O ATOM 412 CB THR A 28 -6.973 -7.975 2.469 1.00 0.22 C ATOM 413 OG1 THR A 28 -6.632 -7.515 3.770 1.00 0.20 O ATOM 414 CG2 THR A 28 -6.533 -9.425 2.312 1.00 0.21 C ATOM 0 H THR A 28 -4.450 -8.064 1.981 1.00 0.18 H new ATOM 0 HA THR A 28 -6.826 -7.139 0.486 1.00 0.21 H new ATOM 0 HB THR A 28 -8.052 -7.910 2.328 1.00 0.22 H new ATOM 0 HG1 THR A 28 -6.946 -8.160 4.438 1.00 0.20 H new ATOM 0 HG21 THR A 28 -7.034 -10.040 3.060 1.00 0.21 H new ATOM 0 HG22 THR A 28 -6.796 -9.779 1.315 1.00 0.21 H new ATOM 0 HG23 THR A 28 -5.454 -9.495 2.449 1.00 0.21 H new ATOM 422 N THR A 29 -7.338 -5.012 1.962 1.00 0.23 N ATOM 423 CA THR A 29 -7.374 -3.624 2.478 1.00 0.24 C ATOM 424 C THR A 29 -7.202 -3.648 4.000 1.00 0.24 C ATOM 425 O THR A 29 -6.664 -2.732 4.590 1.00 0.23 O ATOM 426 CB THR A 29 -8.729 -3.002 2.133 1.00 0.25 C ATOM 427 OG1 THR A 29 -9.758 -3.938 2.421 1.00 0.32 O ATOM 428 CG2 THR A 29 -8.781 -2.633 0.645 1.00 0.21 C ATOM 0 H THR A 29 -8.232 -5.373 1.630 1.00 0.23 H new ATOM 0 HA THR A 29 -6.572 -3.039 2.028 1.00 0.24 H new ATOM 0 HB THR A 29 -8.868 -2.098 2.727 1.00 0.25 H new ATOM 0 HG1 THR A 29 -10.629 -3.544 2.204 1.00 0.32 H new ATOM 0 HG21 THR A 29 -9.750 -2.192 0.413 1.00 0.21 H new ATOM 0 HG22 THR A 29 -7.992 -1.915 0.420 1.00 0.21 H new ATOM 0 HG23 THR A 29 -8.637 -3.530 0.042 1.00 0.21 H new ATOM 436 N LYS A 30 -7.662 -4.688 4.640 1.00 0.25 N ATOM 437 CA LYS A 30 -7.539 -4.770 6.123 1.00 0.26 C ATOM 438 C LYS A 30 -6.066 -4.775 6.529 1.00 0.24 C ATOM 439 O LYS A 30 -5.718 -4.392 7.629 1.00 0.24 O ATOM 440 CB LYS A 30 -8.205 -6.057 6.620 1.00 0.28 C ATOM 441 CG LYS A 30 -9.719 -5.978 6.386 1.00 0.34 C ATOM 442 CD LYS A 30 -10.334 -7.384 6.437 1.00 0.37 C ATOM 443 CE LYS A 30 -10.237 -7.948 7.857 1.00 1.61 C ATOM 444 NZ LYS A 30 -10.806 -6.966 8.826 1.00 2.04 N ATOM 0 H LYS A 30 -8.119 -5.486 4.199 1.00 0.25 H new ATOM 0 HA LYS A 30 -8.030 -3.904 6.568 1.00 0.26 H new ATOM 0 HB2 LYS A 30 -7.791 -6.918 6.096 1.00 0.28 H new ATOM 0 HB3 LYS A 30 -7.998 -6.199 7.681 1.00 0.28 H new ATOM 0 HG2 LYS A 30 -10.179 -5.343 7.143 1.00 0.34 H new ATOM 0 HG3 LYS A 30 -9.922 -5.519 5.419 1.00 0.34 H new ATOM 0 HD2 LYS A 30 -11.377 -7.345 6.123 1.00 0.37 H new ATOM 0 HD3 LYS A 30 -9.816 -8.042 5.740 1.00 0.37 H new ATOM 0 HE2 LYS A 30 -10.777 -8.893 7.922 1.00 1.61 H new ATOM 0 HE3 LYS A 30 -9.197 -8.158 8.105 1.00 1.61 H new ATOM 0 HZ1 LYS A 30 -11.297 -7.475 9.588 1.00 2.04 H new ATOM 0 HZ2 LYS A 30 -10.038 -6.393 9.231 1.00 2.04 H new ATOM 0 HZ3 LYS A 30 -11.480 -6.344 8.335 1.00 2.04 H new ATOM 458 N GLU A 31 -5.198 -5.220 5.659 1.00 0.24 N ATOM 459 CA GLU A 31 -3.740 -5.267 6.004 1.00 0.24 C ATOM 460 C GLU A 31 -3.010 -4.068 5.393 1.00 0.25 C ATOM 461 O GLU A 31 -1.806 -3.954 5.502 1.00 0.36 O ATOM 462 CB GLU A 31 -3.128 -6.556 5.451 1.00 0.25 C ATOM 463 CG GLU A 31 -3.936 -7.766 5.931 1.00 0.25 C ATOM 464 CD GLU A 31 -3.471 -9.018 5.185 1.00 0.27 C ATOM 465 OE1 GLU A 31 -3.304 -8.937 3.979 1.00 0.20 O ATOM 466 OE2 GLU A 31 -3.288 -10.037 5.832 1.00 0.43 O ATOM 0 H GLU A 31 -5.432 -5.554 4.724 1.00 0.24 H new ATOM 0 HA GLU A 31 -3.635 -5.237 7.089 1.00 0.24 H new ATOM 0 HB2 GLU A 31 -3.116 -6.525 4.362 1.00 0.25 H new ATOM 0 HB3 GLU A 31 -2.092 -6.647 5.778 1.00 0.25 H new ATOM 0 HG2 GLU A 31 -3.807 -7.900 7.005 1.00 0.25 H new ATOM 0 HG3 GLU A 31 -4.999 -7.599 5.756 1.00 0.25 H new ATOM 473 N LEU A 32 -3.711 -3.174 4.749 1.00 0.15 N ATOM 474 CA LEU A 32 -3.013 -2.002 4.142 1.00 0.21 C ATOM 475 C LEU A 32 -2.384 -1.151 5.249 1.00 0.22 C ATOM 476 O LEU A 32 -1.214 -0.823 5.200 1.00 0.29 O ATOM 477 CB LEU A 32 -4.011 -1.158 3.334 1.00 0.22 C ATOM 478 CG LEU A 32 -3.335 0.128 2.824 1.00 0.30 C ATOM 479 CD1 LEU A 32 -2.058 -0.217 2.041 1.00 0.35 C ATOM 480 CD2 LEU A 32 -4.307 0.879 1.907 1.00 0.35 C ATOM 0 H LEU A 32 -4.722 -3.202 4.617 1.00 0.15 H new ATOM 0 HA LEU A 32 -2.230 -2.357 3.472 1.00 0.21 H new ATOM 0 HB2 LEU A 32 -4.388 -1.737 2.491 1.00 0.22 H new ATOM 0 HB3 LEU A 32 -4.869 -0.904 3.956 1.00 0.22 H new ATOM 0 HG LEU A 32 -3.069 0.753 3.676 1.00 0.30 H new ATOM 0 HD11 LEU A 32 -1.590 0.701 1.686 1.00 0.35 H new ATOM 0 HD12 LEU A 32 -1.365 -0.750 2.692 1.00 0.35 H new ATOM 0 HD13 LEU A 32 -2.313 -0.847 1.189 1.00 0.35 H new ATOM 0 HD21 LEU A 32 -3.833 1.791 1.543 1.00 0.35 H new ATOM 0 HD22 LEU A 32 -4.572 0.245 1.061 1.00 0.35 H new ATOM 0 HD23 LEU A 32 -5.208 1.136 2.464 1.00 0.35 H new ATOM 492 N GLY A 33 -3.144 -0.788 6.248 1.00 0.16 N ATOM 493 CA GLY A 33 -2.576 0.042 7.347 1.00 0.17 C ATOM 494 C GLY A 33 -1.417 -0.709 8.005 1.00 0.17 C ATOM 495 O GLY A 33 -0.475 -0.112 8.483 1.00 0.13 O ATOM 0 H GLY A 33 -4.130 -1.030 6.349 1.00 0.16 H new ATOM 0 HA2 GLY A 33 -2.228 0.997 6.953 1.00 0.17 H new ATOM 0 HA3 GLY A 33 -3.346 0.263 8.086 1.00 0.17 H new ATOM 499 N THR A 34 -1.475 -2.015 8.033 1.00 0.23 N ATOM 500 CA THR A 34 -0.368 -2.788 8.661 1.00 0.22 C ATOM 501 C THR A 34 0.878 -2.690 7.779 1.00 0.19 C ATOM 502 O THR A 34 1.983 -2.552 8.263 1.00 0.16 O ATOM 503 CB THR A 34 -0.780 -4.255 8.822 1.00 0.29 C ATOM 504 OG1 THR A 34 -2.114 -4.319 9.307 1.00 0.38 O ATOM 505 CG2 THR A 34 0.158 -4.953 9.813 1.00 0.27 C ATOM 0 H THR A 34 -2.237 -2.575 7.650 1.00 0.23 H new ATOM 0 HA THR A 34 -0.150 -2.375 9.646 1.00 0.22 H new ATOM 0 HB THR A 34 -0.717 -4.755 7.856 1.00 0.29 H new ATOM 0 HG1 THR A 34 -2.380 -5.257 9.409 1.00 0.38 H new ATOM 0 HG21 THR A 34 -0.140 -5.996 9.923 1.00 0.27 H new ATOM 0 HG22 THR A 34 1.181 -4.905 9.441 1.00 0.27 H new ATOM 0 HG23 THR A 34 0.101 -4.455 10.781 1.00 0.27 H new ATOM 513 N VAL A 35 0.712 -2.741 6.487 1.00 0.20 N ATOM 514 CA VAL A 35 1.894 -2.628 5.585 1.00 0.19 C ATOM 515 C VAL A 35 2.468 -1.221 5.726 1.00 0.17 C ATOM 516 O VAL A 35 3.648 -1.039 5.949 1.00 0.19 O ATOM 517 CB VAL A 35 1.470 -2.874 4.135 1.00 0.23 C ATOM 518 CG1 VAL A 35 2.663 -2.641 3.205 1.00 0.23 C ATOM 519 CG2 VAL A 35 0.989 -4.320 3.983 1.00 0.25 C ATOM 0 H VAL A 35 -0.186 -2.855 6.017 1.00 0.20 H new ATOM 0 HA VAL A 35 2.645 -3.370 5.856 1.00 0.19 H new ATOM 0 HB VAL A 35 0.664 -2.189 3.874 1.00 0.23 H new ATOM 0 HG11 VAL A 35 2.360 -2.817 2.173 1.00 0.23 H new ATOM 0 HG12 VAL A 35 3.012 -1.614 3.311 1.00 0.23 H new ATOM 0 HG13 VAL A 35 3.469 -3.327 3.468 1.00 0.23 H new ATOM 0 HG21 VAL A 35 0.687 -4.496 2.951 1.00 0.25 H new ATOM 0 HG22 VAL A 35 1.798 -5.002 4.246 1.00 0.25 H new ATOM 0 HG23 VAL A 35 0.140 -4.492 4.644 1.00 0.25 H new ATOM 529 N MET A 36 1.633 -0.223 5.618 1.00 0.16 N ATOM 530 CA MET A 36 2.119 1.173 5.767 1.00 0.15 C ATOM 531 C MET A 36 2.845 1.305 7.113 1.00 0.17 C ATOM 532 O MET A 36 3.841 1.989 7.230 1.00 0.22 O ATOM 533 CB MET A 36 0.914 2.122 5.733 1.00 0.21 C ATOM 534 CG MET A 36 0.453 2.351 4.281 1.00 0.20 C ATOM 535 SD MET A 36 1.265 3.824 3.610 1.00 0.57 S ATOM 536 CE MET A 36 0.216 4.014 2.148 1.00 0.26 C ATOM 0 H MET A 36 0.634 -0.317 5.433 1.00 0.16 H new ATOM 0 HA MET A 36 2.805 1.425 4.958 1.00 0.15 H new ATOM 0 HB2 MET A 36 0.096 1.703 6.319 1.00 0.21 H new ATOM 0 HB3 MET A 36 1.180 3.074 6.192 1.00 0.21 H new ATOM 0 HG2 MET A 36 0.694 1.481 3.671 1.00 0.20 H new ATOM 0 HG3 MET A 36 -0.630 2.473 4.248 1.00 0.20 H new ATOM 0 HE1 MET A 36 0.181 5.065 1.860 1.00 0.26 H new ATOM 0 HE2 MET A 36 0.626 3.426 1.327 1.00 0.26 H new ATOM 0 HE3 MET A 36 -0.792 3.666 2.375 1.00 0.26 H new ATOM 546 N ARG A 37 2.347 0.647 8.131 1.00 0.18 N ATOM 547 CA ARG A 37 3.002 0.725 9.470 1.00 0.23 C ATOM 548 C ARG A 37 4.425 0.176 9.363 1.00 0.20 C ATOM 549 O ARG A 37 5.343 0.668 9.992 1.00 0.26 O ATOM 550 CB ARG A 37 2.196 -0.108 10.486 1.00 0.35 C ATOM 551 CG ARG A 37 1.046 0.734 11.068 1.00 0.48 C ATOM 552 CD ARG A 37 1.587 1.821 12.030 1.00 1.49 C ATOM 553 NE ARG A 37 0.787 1.827 13.298 1.00 1.67 N ATOM 554 CZ ARG A 37 -0.520 1.817 13.276 1.00 1.80 C ATOM 555 NH1 ARG A 37 -1.161 1.898 12.144 1.00 2.11 N ATOM 556 NH2 ARG A 37 -1.187 1.751 14.395 1.00 2.57 N ATOM 0 H ARG A 37 1.514 0.059 8.091 1.00 0.18 H new ATOM 0 HA ARG A 37 3.036 1.762 9.805 1.00 0.23 H new ATOM 0 HB2 ARG A 37 1.796 -0.999 10.001 1.00 0.35 H new ATOM 0 HB3 ARG A 37 2.850 -0.449 11.289 1.00 0.35 H new ATOM 0 HG2 ARG A 37 0.489 1.205 10.258 1.00 0.48 H new ATOM 0 HG3 ARG A 37 0.349 0.086 11.600 1.00 0.48 H new ATOM 0 HD2 ARG A 37 2.637 1.631 12.253 1.00 1.49 H new ATOM 0 HD3 ARG A 37 1.535 2.800 11.553 1.00 1.49 H new ATOM 0 HE ARG A 37 1.272 1.839 14.195 1.00 1.67 H new ATOM 0 HH11 ARG A 37 -0.643 1.970 11.268 1.00 2.11 H new ATOM 0 HH12 ARG A 37 -2.181 1.890 12.134 1.00 2.11 H new ATOM 0 HH21 ARG A 37 -0.689 1.707 15.284 1.00 2.57 H new ATOM 0 HH22 ARG A 37 -2.207 1.743 14.381 1.00 2.57 H new ATOM 570 N SER A 38 4.619 -0.840 8.571 1.00 0.18 N ATOM 571 CA SER A 38 5.983 -1.419 8.421 1.00 0.20 C ATOM 572 C SER A 38 6.943 -0.332 7.936 1.00 0.16 C ATOM 573 O SER A 38 8.063 -0.230 8.396 1.00 0.11 O ATOM 574 CB SER A 38 5.944 -2.554 7.400 1.00 0.22 C ATOM 575 OG SER A 38 5.932 -2.002 6.090 1.00 0.18 O ATOM 0 H SER A 38 3.891 -1.295 8.020 1.00 0.18 H new ATOM 0 HA SER A 38 6.323 -1.806 9.382 1.00 0.20 H new ATOM 0 HB2 SER A 38 6.810 -3.203 7.526 1.00 0.22 H new ATOM 0 HB3 SER A 38 5.059 -3.170 7.556 1.00 0.22 H new ATOM 0 HG SER A 38 5.006 -1.908 5.783 1.00 0.18 H new ATOM 581 N LEU A 39 6.511 0.481 7.010 1.00 0.23 N ATOM 582 CA LEU A 39 7.400 1.562 6.495 1.00 0.21 C ATOM 583 C LEU A 39 7.497 2.682 7.534 1.00 0.19 C ATOM 584 O LEU A 39 8.176 3.670 7.336 1.00 0.17 O ATOM 585 CB LEU A 39 6.825 2.118 5.188 1.00 0.17 C ATOM 586 CG LEU A 39 6.342 0.960 4.311 1.00 0.21 C ATOM 587 CD1 LEU A 39 5.851 1.502 2.965 1.00 0.17 C ATOM 588 CD2 LEU A 39 7.497 -0.020 4.077 1.00 0.37 C ATOM 0 H LEU A 39 5.583 0.444 6.589 1.00 0.23 H new ATOM 0 HA LEU A 39 8.395 1.157 6.308 1.00 0.21 H new ATOM 0 HB2 LEU A 39 5.999 2.796 5.401 1.00 0.17 H new ATOM 0 HB3 LEU A 39 7.584 2.696 4.661 1.00 0.17 H new ATOM 0 HG LEU A 39 5.523 0.445 4.813 1.00 0.21 H new ATOM 0 HD11 LEU A 39 5.508 0.675 2.343 1.00 0.17 H new ATOM 0 HD12 LEU A 39 5.028 2.197 3.131 1.00 0.17 H new ATOM 0 HD13 LEU A 39 6.667 2.020 2.462 1.00 0.17 H new ATOM 0 HD21 LEU A 39 7.154 -0.845 3.453 1.00 0.37 H new ATOM 0 HD22 LEU A 39 8.317 0.496 3.578 1.00 0.37 H new ATOM 0 HD23 LEU A 39 7.843 -0.410 5.034 1.00 0.37 H new ATOM 600 N GLY A 40 6.830 2.530 8.649 1.00 0.22 N ATOM 601 CA GLY A 40 6.890 3.580 9.710 1.00 0.22 C ATOM 602 C GLY A 40 5.832 4.658 9.454 1.00 0.21 C ATOM 603 O GLY A 40 5.907 5.748 9.985 1.00 0.21 O ATOM 0 H GLY A 40 6.246 1.724 8.871 1.00 0.22 H new ATOM 0 HA2 GLY A 40 6.728 3.127 10.688 1.00 0.22 H new ATOM 0 HA3 GLY A 40 7.882 4.032 9.728 1.00 0.22 H new ATOM 607 N GLN A 41 4.841 4.366 8.649 1.00 0.21 N ATOM 608 CA GLN A 41 3.770 5.374 8.365 1.00 0.21 C ATOM 609 C GLN A 41 2.542 5.059 9.224 1.00 0.22 C ATOM 610 O GLN A 41 2.204 3.911 9.427 1.00 0.24 O ATOM 611 CB GLN A 41 3.384 5.301 6.885 1.00 0.21 C ATOM 612 CG GLN A 41 4.559 5.769 6.024 1.00 0.19 C ATOM 613 CD GLN A 41 4.766 7.274 6.211 1.00 0.95 C ATOM 614 OE1 GLN A 41 3.855 8.053 6.014 1.00 1.56 O ATOM 615 NE2 GLN A 41 5.934 7.719 6.586 1.00 1.94 N ATOM 0 H GLN A 41 4.726 3.471 8.174 1.00 0.21 H new ATOM 0 HA GLN A 41 4.136 6.374 8.598 1.00 0.21 H new ATOM 0 HB2 GLN A 41 3.110 4.280 6.620 1.00 0.21 H new ATOM 0 HB3 GLN A 41 2.510 5.925 6.696 1.00 0.21 H new ATOM 0 HG2 GLN A 41 5.464 5.230 6.303 1.00 0.19 H new ATOM 0 HG3 GLN A 41 4.365 5.546 4.975 1.00 0.19 H new ATOM 0 HE21 GLN A 41 6.700 7.066 6.752 1.00 1.94 H new ATOM 0 HE22 GLN A 41 6.081 8.720 6.713 1.00 1.94 H new ATOM 624 N ASN A 42 1.875 6.066 9.739 1.00 0.21 N ATOM 625 CA ASN A 42 0.672 5.819 10.598 1.00 0.21 C ATOM 626 C ASN A 42 -0.470 6.771 10.208 1.00 0.19 C ATOM 627 O ASN A 42 -0.754 7.705 10.930 1.00 0.21 O ATOM 628 CB ASN A 42 1.044 6.068 12.062 1.00 0.26 C ATOM 629 CG ASN A 42 -0.094 5.589 12.965 1.00 0.29 C ATOM 630 OD1 ASN A 42 -1.098 6.259 13.102 1.00 0.54 O ATOM 631 ND2 ASN A 42 0.022 4.451 13.594 1.00 1.21 N ATOM 0 H ASN A 42 2.112 7.048 9.601 1.00 0.21 H new ATOM 0 HA ASN A 42 0.343 4.789 10.457 1.00 0.21 H new ATOM 0 HB2 ASN A 42 1.965 5.541 12.309 1.00 0.26 H new ATOM 0 HB3 ASN A 42 1.230 7.129 12.226 1.00 0.26 H new ATOM 0 HD21 ASN A 42 -0.730 4.124 14.200 1.00 1.21 H new ATOM 0 HD22 ASN A 42 0.865 3.888 13.479 1.00 1.21 H new ATOM 638 N PRO A 43 -1.102 6.512 9.082 1.00 0.14 N ATOM 639 CA PRO A 43 -2.221 7.352 8.615 1.00 0.12 C ATOM 640 C PRO A 43 -3.450 7.081 9.495 1.00 0.13 C ATOM 641 O PRO A 43 -3.618 5.993 10.008 1.00 0.14 O ATOM 642 CB PRO A 43 -2.472 6.893 7.159 1.00 0.07 C ATOM 643 CG PRO A 43 -1.637 5.597 6.934 1.00 0.07 C ATOM 644 CD PRO A 43 -0.759 5.384 8.189 1.00 0.12 C ATOM 0 HA PRO A 43 -2.012 8.420 8.668 1.00 0.12 H new ATOM 0 HB2 PRO A 43 -3.532 6.701 6.993 1.00 0.07 H new ATOM 0 HB3 PRO A 43 -2.175 7.669 6.454 1.00 0.07 H new ATOM 0 HG2 PRO A 43 -2.293 4.741 6.776 1.00 0.07 H new ATOM 0 HG3 PRO A 43 -1.016 5.691 6.043 1.00 0.07 H new ATOM 0 HD2 PRO A 43 -0.971 4.425 8.663 1.00 0.12 H new ATOM 0 HD3 PRO A 43 0.301 5.387 7.936 1.00 0.12 H new ATOM 652 N THR A 44 -4.315 8.044 9.669 1.00 0.14 N ATOM 653 CA THR A 44 -5.517 7.785 10.510 1.00 0.16 C ATOM 654 C THR A 44 -6.445 6.836 9.758 1.00 0.11 C ATOM 655 O THR A 44 -6.232 6.529 8.602 1.00 0.07 O ATOM 656 CB THR A 44 -6.254 9.093 10.809 1.00 0.19 C ATOM 657 OG1 THR A 44 -6.543 9.761 9.593 1.00 0.18 O ATOM 658 CG2 THR A 44 -5.379 9.985 11.691 1.00 0.27 C ATOM 0 H THR A 44 -4.244 8.981 9.273 1.00 0.14 H new ATOM 0 HA THR A 44 -5.207 7.340 11.455 1.00 0.16 H new ATOM 0 HB THR A 44 -7.185 8.874 11.331 1.00 0.19 H new ATOM 0 HG1 THR A 44 -7.016 10.598 9.784 1.00 0.18 H new ATOM 0 HG21 THR A 44 -5.905 10.916 11.903 1.00 0.27 H new ATOM 0 HG22 THR A 44 -5.161 9.470 12.627 1.00 0.27 H new ATOM 0 HG23 THR A 44 -4.446 10.206 11.173 1.00 0.27 H new ATOM 666 N GLU A 45 -7.472 6.362 10.403 1.00 0.14 N ATOM 667 CA GLU A 45 -8.407 5.428 9.724 1.00 0.12 C ATOM 668 C GLU A 45 -9.101 6.141 8.561 1.00 0.08 C ATOM 669 O GLU A 45 -9.259 5.588 7.493 1.00 0.11 O ATOM 670 CB GLU A 45 -9.454 4.946 10.734 1.00 0.16 C ATOM 671 CG GLU A 45 -8.861 3.832 11.602 1.00 0.34 C ATOM 672 CD GLU A 45 -9.917 3.337 12.591 1.00 0.75 C ATOM 673 OE1 GLU A 45 -10.973 3.947 12.653 1.00 1.94 O ATOM 674 OE2 GLU A 45 -9.656 2.355 13.267 1.00 1.36 O ATOM 0 H GLU A 45 -7.704 6.582 11.372 1.00 0.14 H new ATOM 0 HA GLU A 45 -7.852 4.575 9.334 1.00 0.12 H new ATOM 0 HB2 GLU A 45 -9.777 5.776 11.362 1.00 0.16 H new ATOM 0 HB3 GLU A 45 -10.337 4.581 10.210 1.00 0.16 H new ATOM 0 HG2 GLU A 45 -8.522 3.008 10.973 1.00 0.34 H new ATOM 0 HG3 GLU A 45 -7.988 4.202 12.141 1.00 0.34 H new ATOM 681 N ALA A 46 -9.521 7.361 8.754 1.00 0.08 N ATOM 682 CA ALA A 46 -10.205 8.081 7.646 1.00 0.08 C ATOM 683 C ALA A 46 -9.234 8.267 6.479 1.00 0.09 C ATOM 684 O ALA A 46 -9.610 8.151 5.329 1.00 0.13 O ATOM 685 CB ALA A 46 -10.709 9.444 8.141 1.00 0.14 C ATOM 0 H ALA A 46 -9.421 7.886 9.623 1.00 0.08 H new ATOM 0 HA ALA A 46 -11.059 7.495 7.307 1.00 0.08 H new ATOM 0 HB1 ALA A 46 -11.209 9.966 7.325 1.00 0.14 H new ATOM 0 HB2 ALA A 46 -11.412 9.296 8.961 1.00 0.14 H new ATOM 0 HB3 ALA A 46 -9.865 10.039 8.489 1.00 0.14 H new ATOM 691 N GLU A 47 -7.987 8.535 6.754 1.00 0.09 N ATOM 692 CA GLU A 47 -7.015 8.699 5.639 1.00 0.10 C ATOM 693 C GLU A 47 -6.923 7.372 4.892 1.00 0.11 C ATOM 694 O GLU A 47 -6.785 7.330 3.686 1.00 0.16 O ATOM 695 CB GLU A 47 -5.633 9.058 6.195 1.00 0.11 C ATOM 696 CG GLU A 47 -5.613 10.525 6.627 1.00 0.16 C ATOM 697 CD GLU A 47 -4.190 10.918 7.025 1.00 0.20 C ATOM 698 OE1 GLU A 47 -3.808 10.626 8.147 1.00 0.29 O ATOM 699 OE2 GLU A 47 -3.505 11.501 6.201 1.00 0.47 O ATOM 0 H GLU A 47 -7.603 8.646 7.692 1.00 0.09 H new ATOM 0 HA GLU A 47 -7.346 9.496 4.973 1.00 0.10 H new ATOM 0 HB2 GLU A 47 -5.394 8.416 7.043 1.00 0.11 H new ATOM 0 HB3 GLU A 47 -4.869 8.882 5.437 1.00 0.11 H new ATOM 0 HG2 GLU A 47 -5.963 11.160 5.813 1.00 0.16 H new ATOM 0 HG3 GLU A 47 -6.292 10.678 7.466 1.00 0.16 H new ATOM 706 N LEU A 48 -7.000 6.287 5.610 1.00 0.09 N ATOM 707 CA LEU A 48 -6.916 4.950 4.962 1.00 0.12 C ATOM 708 C LEU A 48 -8.216 4.651 4.203 1.00 0.12 C ATOM 709 O LEU A 48 -8.194 4.174 3.090 1.00 0.14 O ATOM 710 CB LEU A 48 -6.697 3.875 6.043 1.00 0.12 C ATOM 711 CG LEU A 48 -5.209 3.808 6.445 1.00 0.14 C ATOM 712 CD1 LEU A 48 -5.078 3.206 7.849 1.00 0.24 C ATOM 713 CD2 LEU A 48 -4.431 2.922 5.461 1.00 0.20 C ATOM 0 H LEU A 48 -7.118 6.269 6.623 1.00 0.09 H new ATOM 0 HA LEU A 48 -6.083 4.944 4.259 1.00 0.12 H new ATOM 0 HB2 LEU A 48 -7.306 4.101 6.918 1.00 0.12 H new ATOM 0 HB3 LEU A 48 -7.023 2.904 5.670 1.00 0.12 H new ATOM 0 HG LEU A 48 -4.802 4.819 6.429 1.00 0.14 H new ATOM 0 HD11 LEU A 48 -4.025 3.161 8.129 1.00 0.24 H new ATOM 0 HD12 LEU A 48 -5.617 3.828 8.563 1.00 0.24 H new ATOM 0 HD13 LEU A 48 -5.498 2.200 7.854 1.00 0.24 H new ATOM 0 HD21 LEU A 48 -3.383 2.884 5.757 1.00 0.20 H new ATOM 0 HD22 LEU A 48 -4.848 1.915 5.470 1.00 0.20 H new ATOM 0 HD23 LEU A 48 -4.510 3.338 4.457 1.00 0.20 H new ATOM 725 N GLN A 49 -9.349 4.906 4.801 1.00 0.12 N ATOM 726 CA GLN A 49 -10.639 4.604 4.113 1.00 0.14 C ATOM 727 C GLN A 49 -10.820 5.503 2.889 1.00 0.14 C ATOM 728 O GLN A 49 -11.571 5.189 1.985 1.00 0.14 O ATOM 729 CB GLN A 49 -11.793 4.842 5.090 1.00 0.13 C ATOM 730 CG GLN A 49 -11.875 3.685 6.092 1.00 0.15 C ATOM 731 CD GLN A 49 -12.496 2.461 5.413 1.00 1.11 C ATOM 732 OE1 GLN A 49 -11.799 1.663 4.820 1.00 2.12 O ATOM 733 NE2 GLN A 49 -13.787 2.278 5.478 1.00 1.23 N ATOM 0 H GLN A 49 -9.438 5.309 5.734 1.00 0.12 H new ATOM 0 HA GLN A 49 -10.630 3.565 3.785 1.00 0.14 H new ATOM 0 HB2 GLN A 49 -11.645 5.783 5.619 1.00 0.13 H new ATOM 0 HB3 GLN A 49 -12.732 4.928 4.543 1.00 0.13 H new ATOM 0 HG2 GLN A 49 -10.880 3.441 6.464 1.00 0.15 H new ATOM 0 HG3 GLN A 49 -12.474 3.979 6.954 1.00 0.15 H new ATOM 0 HE21 GLN A 49 -14.373 2.948 5.976 1.00 1.23 H new ATOM 0 HE22 GLN A 49 -14.210 1.465 5.031 1.00 1.23 H new ATOM 742 N ASP A 50 -10.156 6.620 2.849 1.00 0.12 N ATOM 743 CA ASP A 50 -10.314 7.534 1.683 1.00 0.12 C ATOM 744 C ASP A 50 -9.537 6.980 0.492 1.00 0.18 C ATOM 745 O ASP A 50 -10.051 6.862 -0.602 1.00 0.18 O ATOM 746 CB ASP A 50 -9.783 8.922 2.046 1.00 0.07 C ATOM 747 CG ASP A 50 -9.801 9.821 0.807 1.00 1.37 C ATOM 748 OD1 ASP A 50 -10.882 10.106 0.321 1.00 1.80 O ATOM 749 OD2 ASP A 50 -8.730 10.210 0.368 1.00 2.40 O ATOM 0 H ASP A 50 -9.511 6.942 3.571 1.00 0.12 H new ATOM 0 HA ASP A 50 -11.369 7.610 1.420 1.00 0.12 H new ATOM 0 HB2 ASP A 50 -10.394 9.361 2.835 1.00 0.07 H new ATOM 0 HB3 ASP A 50 -8.768 8.843 2.436 1.00 0.07 H new ATOM 890 N GLY A 61 -11.994 -5.241 -3.027 1.00 0.13 N ATOM 891 CA GLY A 61 -11.539 -5.032 -1.617 1.00 0.17 C ATOM 892 C GLY A 61 -10.097 -5.525 -1.440 1.00 0.23 C ATOM 893 O GLY A 61 -9.714 -5.978 -0.379 1.00 0.31 O ATOM 0 HA2 GLY A 61 -11.602 -3.974 -1.361 1.00 0.17 H new ATOM 0 HA3 GLY A 61 -12.199 -5.565 -0.933 1.00 0.17 H new ATOM 897 N THR A 62 -9.295 -5.442 -2.471 1.00 0.21 N ATOM 898 CA THR A 62 -7.874 -5.904 -2.379 1.00 0.27 C ATOM 899 C THR A 62 -6.967 -4.904 -3.103 1.00 0.23 C ATOM 900 O THR A 62 -7.436 -3.992 -3.758 1.00 0.24 O ATOM 901 CB THR A 62 -7.744 -7.271 -3.051 1.00 0.31 C ATOM 902 OG1 THR A 62 -8.410 -7.246 -4.306 1.00 0.37 O ATOM 903 CG2 THR A 62 -8.378 -8.337 -2.159 1.00 0.46 C ATOM 0 H THR A 62 -9.565 -5.071 -3.382 1.00 0.21 H new ATOM 0 HA THR A 62 -7.581 -5.976 -1.332 1.00 0.27 H new ATOM 0 HB THR A 62 -6.690 -7.504 -3.204 1.00 0.31 H new ATOM 0 HG1 THR A 62 -8.326 -8.121 -4.738 1.00 0.37 H new ATOM 0 HG21 THR A 62 -8.286 -9.313 -2.637 1.00 0.46 H new ATOM 0 HG22 THR A 62 -7.869 -8.355 -1.196 1.00 0.46 H new ATOM 0 HG23 THR A 62 -9.432 -8.105 -2.008 1.00 0.46 H new ATOM 911 N ILE A 63 -5.670 -5.065 -2.994 1.00 0.19 N ATOM 912 CA ILE A 63 -4.725 -4.126 -3.675 1.00 0.16 C ATOM 913 C ILE A 63 -3.550 -4.926 -4.242 1.00 0.16 C ATOM 914 O ILE A 63 -3.020 -5.804 -3.594 1.00 0.15 O ATOM 915 CB ILE A 63 -4.199 -3.099 -2.655 1.00 0.13 C ATOM 916 CG1 ILE A 63 -5.359 -2.656 -1.746 1.00 0.20 C ATOM 917 CG2 ILE A 63 -3.597 -1.882 -3.384 1.00 0.06 C ATOM 918 CD1 ILE A 63 -4.868 -1.647 -0.706 1.00 0.16 C ATOM 0 H ILE A 63 -5.224 -5.811 -2.460 1.00 0.19 H new ATOM 0 HA ILE A 63 -5.241 -3.604 -4.481 1.00 0.16 H new ATOM 0 HB ILE A 63 -3.416 -3.555 -2.050 1.00 0.13 H new ATOM 0 HG12 ILE A 63 -6.151 -2.211 -2.348 1.00 0.20 H new ATOM 0 HG13 ILE A 63 -5.789 -3.524 -1.245 1.00 0.20 H new ATOM 0 HG21 ILE A 63 -3.229 -1.164 -2.651 1.00 0.06 H new ATOM 0 HG22 ILE A 63 -2.772 -2.209 -4.017 1.00 0.06 H new ATOM 0 HG23 ILE A 63 -4.363 -1.411 -4.000 1.00 0.06 H new ATOM 0 HD11 ILE A 63 -5.701 -1.344 -0.071 1.00 0.16 H new ATOM 0 HD12 ILE A 63 -4.092 -2.105 -0.092 1.00 0.16 H new ATOM 0 HD13 ILE A 63 -4.461 -0.772 -1.212 1.00 0.16 H new ATOM 930 N ASP A 64 -3.134 -4.620 -5.442 1.00 0.17 N ATOM 931 CA ASP A 64 -1.978 -5.340 -6.060 1.00 0.18 C ATOM 932 C ASP A 64 -0.721 -4.456 -5.921 1.00 0.16 C ATOM 933 O ASP A 64 -0.814 -3.298 -5.563 1.00 0.13 O ATOM 934 CB ASP A 64 -2.304 -5.644 -7.533 1.00 0.22 C ATOM 935 CG ASP A 64 -2.491 -4.342 -8.320 1.00 0.25 C ATOM 936 OD1 ASP A 64 -1.976 -3.327 -7.887 1.00 0.06 O ATOM 937 OD2 ASP A 64 -3.146 -4.386 -9.348 1.00 0.54 O ATOM 0 H ASP A 64 -3.549 -3.895 -6.028 1.00 0.17 H new ATOM 0 HA ASP A 64 -1.790 -6.289 -5.557 1.00 0.18 H new ATOM 0 HB2 ASP A 64 -1.500 -6.232 -7.976 1.00 0.22 H new ATOM 0 HB3 ASP A 64 -3.210 -6.247 -7.594 1.00 0.22 H new ATOM 942 N PHE A 65 0.452 -4.995 -6.149 1.00 0.17 N ATOM 943 CA PHE A 65 1.705 -4.181 -5.972 1.00 0.16 C ATOM 944 C PHE A 65 1.795 -2.973 -6.936 1.00 0.12 C ATOM 945 O PHE A 65 2.176 -1.910 -6.487 1.00 0.10 O ATOM 946 CB PHE A 65 2.951 -5.083 -6.095 1.00 0.21 C ATOM 947 CG PHE A 65 4.193 -4.322 -5.665 1.00 0.21 C ATOM 948 CD1 PHE A 65 4.329 -3.877 -4.340 1.00 0.61 C ATOM 949 CD2 PHE A 65 5.215 -4.069 -6.594 1.00 0.63 C ATOM 950 CE1 PHE A 65 5.482 -3.184 -3.951 1.00 0.59 C ATOM 951 CE2 PHE A 65 6.364 -3.377 -6.200 1.00 0.66 C ATOM 952 CZ PHE A 65 6.498 -2.935 -4.881 1.00 0.24 C ATOM 0 H PHE A 65 0.600 -5.959 -6.449 1.00 0.17 H new ATOM 0 HA PHE A 65 1.665 -3.758 -4.968 1.00 0.16 H new ATOM 0 HB2 PHE A 65 2.828 -5.972 -5.477 1.00 0.21 H new ATOM 0 HB3 PHE A 65 3.062 -5.424 -7.124 1.00 0.21 H new ATOM 0 HD1 PHE A 65 3.545 -4.069 -3.622 1.00 0.61 H new ATOM 0 HD2 PHE A 65 5.113 -4.409 -7.614 1.00 0.63 H new ATOM 0 HE1 PHE A 65 5.587 -2.841 -2.932 1.00 0.59 H new ATOM 0 HE2 PHE A 65 7.149 -3.184 -6.916 1.00 0.66 H new ATOM 0 HZ PHE A 65 7.387 -2.401 -4.579 1.00 0.24 H new ATOM 962 N PRO A 66 1.460 -3.104 -8.211 1.00 0.13 N ATOM 963 CA PRO A 66 1.549 -1.940 -9.112 1.00 0.10 C ATOM 964 C PRO A 66 0.709 -0.790 -8.535 1.00 0.08 C ATOM 965 O PRO A 66 1.167 0.331 -8.425 1.00 0.11 O ATOM 966 CB PRO A 66 1.001 -2.432 -10.472 1.00 0.09 C ATOM 967 CG PRO A 66 0.684 -3.946 -10.322 1.00 0.14 C ATOM 968 CD PRO A 66 0.980 -4.344 -8.857 1.00 0.20 C ATOM 0 HA PRO A 66 2.565 -1.561 -9.225 1.00 0.10 H new ATOM 0 HB2 PRO A 66 0.104 -1.877 -10.748 1.00 0.09 H new ATOM 0 HB3 PRO A 66 1.733 -2.269 -11.263 1.00 0.09 H new ATOM 0 HG2 PRO A 66 -0.359 -4.145 -10.569 1.00 0.14 H new ATOM 0 HG3 PRO A 66 1.292 -4.534 -11.009 1.00 0.14 H new ATOM 0 HD2 PRO A 66 0.086 -4.725 -8.364 1.00 0.20 H new ATOM 0 HD3 PRO A 66 1.732 -5.131 -8.807 1.00 0.20 H new ATOM 976 N GLU A 67 -0.509 -1.065 -8.160 1.00 0.05 N ATOM 977 CA GLU A 67 -1.366 0.006 -7.586 1.00 0.05 C ATOM 978 C GLU A 67 -0.781 0.456 -6.247 1.00 0.06 C ATOM 979 O GLU A 67 -0.889 1.605 -5.868 1.00 0.05 O ATOM 980 CB GLU A 67 -2.788 -0.519 -7.376 1.00 0.08 C ATOM 981 CG GLU A 67 -3.426 -0.822 -8.733 1.00 0.11 C ATOM 982 CD GLU A 67 -4.679 -1.675 -8.534 1.00 0.13 C ATOM 983 OE1 GLU A 67 -4.589 -2.673 -7.835 1.00 0.20 O ATOM 984 OE2 GLU A 67 -5.708 -1.320 -9.085 1.00 0.16 O ATOM 0 H GLU A 67 -0.946 -1.984 -8.227 1.00 0.05 H new ATOM 0 HA GLU A 67 -1.399 0.850 -8.274 1.00 0.05 H new ATOM 0 HB2 GLU A 67 -2.768 -1.420 -6.763 1.00 0.08 H new ATOM 0 HB3 GLU A 67 -3.384 0.219 -6.839 1.00 0.08 H new ATOM 0 HG2 GLU A 67 -3.684 0.108 -9.240 1.00 0.11 H new ATOM 0 HG3 GLU A 67 -2.715 -1.346 -9.371 1.00 0.11 H new ATOM 991 N PHE A 68 -0.150 -0.435 -5.526 1.00 0.07 N ATOM 992 CA PHE A 68 0.443 -0.028 -4.223 1.00 0.08 C ATOM 993 C PHE A 68 1.516 1.024 -4.496 1.00 0.07 C ATOM 994 O PHE A 68 1.706 1.949 -3.729 1.00 0.07 O ATOM 995 CB PHE A 68 1.059 -1.239 -3.506 1.00 0.10 C ATOM 996 CG PHE A 68 1.539 -0.816 -2.133 1.00 0.05 C ATOM 997 CD1 PHE A 68 0.634 -0.758 -1.063 1.00 0.04 C ATOM 998 CD2 PHE A 68 2.881 -0.472 -1.930 1.00 0.09 C ATOM 999 CE1 PHE A 68 1.074 -0.359 0.209 1.00 0.07 C ATOM 1000 CE2 PHE A 68 3.318 -0.071 -0.661 1.00 0.11 C ATOM 1001 CZ PHE A 68 2.416 -0.014 0.406 1.00 0.10 C ATOM 0 H PHE A 68 -0.022 -1.414 -5.781 1.00 0.07 H new ATOM 0 HA PHE A 68 -0.333 0.382 -3.577 1.00 0.08 H new ATOM 0 HB2 PHE A 68 0.322 -2.037 -3.416 1.00 0.10 H new ATOM 0 HB3 PHE A 68 1.890 -1.637 -4.088 1.00 0.10 H new ATOM 0 HD1 PHE A 68 -0.402 -1.020 -1.218 1.00 0.04 H new ATOM 0 HD2 PHE A 68 3.580 -0.516 -2.752 1.00 0.09 H new ATOM 0 HE1 PHE A 68 0.378 -0.318 1.034 1.00 0.07 H new ATOM 0 HE2 PHE A 68 4.353 0.195 -0.506 1.00 0.11 H new ATOM 0 HZ PHE A 68 2.755 0.297 1.383 1.00 0.10 H new ATOM 1011 N LEU A 69 2.216 0.895 -5.594 1.00 0.07 N ATOM 1012 CA LEU A 69 3.272 1.896 -5.927 1.00 0.06 C ATOM 1013 C LEU A 69 2.623 3.223 -6.332 1.00 0.05 C ATOM 1014 O LEU A 69 3.224 4.274 -6.213 1.00 0.07 O ATOM 1015 CB LEU A 69 4.118 1.387 -7.101 1.00 0.09 C ATOM 1016 CG LEU A 69 4.872 0.112 -6.711 1.00 0.18 C ATOM 1017 CD1 LEU A 69 5.668 -0.384 -7.925 1.00 0.21 C ATOM 1018 CD2 LEU A 69 5.837 0.398 -5.545 1.00 0.23 C ATOM 0 H LEU A 69 2.102 0.142 -6.272 1.00 0.07 H new ATOM 0 HA LEU A 69 3.902 2.044 -5.050 1.00 0.06 H new ATOM 0 HB2 LEU A 69 3.476 1.188 -7.959 1.00 0.09 H new ATOM 0 HB3 LEU A 69 4.827 2.157 -7.405 1.00 0.09 H new ATOM 0 HG LEU A 69 4.157 -0.648 -6.395 1.00 0.18 H new ATOM 0 HD11 LEU A 69 6.209 -1.292 -7.659 1.00 0.21 H new ATOM 0 HD12 LEU A 69 4.984 -0.597 -8.746 1.00 0.21 H new ATOM 0 HD13 LEU A 69 6.377 0.384 -8.233 1.00 0.21 H new ATOM 0 HD21 LEU A 69 6.366 -0.517 -5.278 1.00 0.23 H new ATOM 0 HD22 LEU A 69 6.557 1.159 -5.847 1.00 0.23 H new ATOM 0 HD23 LEU A 69 5.272 0.755 -4.684 1.00 0.23 H new ATOM 1030 N THR A 70 1.412 3.195 -6.821 1.00 0.07 N ATOM 1031 CA THR A 70 0.756 4.468 -7.240 1.00 0.13 C ATOM 1032 C THR A 70 0.273 5.238 -6.006 1.00 0.17 C ATOM 1033 O THR A 70 0.356 6.449 -5.956 1.00 0.21 O ATOM 1034 CB THR A 70 -0.424 4.168 -8.185 1.00 0.25 C ATOM 1035 OG1 THR A 70 0.079 3.694 -9.425 1.00 0.32 O ATOM 1036 CG2 THR A 70 -1.236 5.447 -8.422 1.00 0.24 C ATOM 0 H THR A 70 0.852 2.352 -6.948 1.00 0.07 H new ATOM 0 HA THR A 70 1.480 5.084 -7.774 1.00 0.13 H new ATOM 0 HB THR A 70 -1.066 3.412 -7.734 1.00 0.25 H new ATOM 0 HG1 THR A 70 -0.668 3.500 -10.029 1.00 0.32 H new ATOM 0 HG21 THR A 70 -2.069 5.230 -9.091 1.00 0.24 H new ATOM 0 HG22 THR A 70 -1.620 5.815 -7.471 1.00 0.24 H new ATOM 0 HG23 THR A 70 -0.596 6.206 -8.873 1.00 0.24 H new ATOM 1044 N MET A 71 -0.227 4.560 -5.005 1.00 0.34 N ATOM 1045 CA MET A 71 -0.700 5.296 -3.793 1.00 0.45 C ATOM 1046 C MET A 71 0.507 5.847 -3.024 1.00 0.38 C ATOM 1047 O MET A 71 0.438 6.890 -2.401 1.00 0.37 O ATOM 1048 CB MET A 71 -1.604 4.396 -2.902 1.00 0.74 C ATOM 1049 CG MET A 71 -0.813 3.386 -2.030 1.00 0.90 C ATOM 1050 SD MET A 71 -1.712 3.107 -0.480 1.00 1.13 S ATOM 1051 CE MET A 71 -2.997 2.003 -1.131 1.00 0.68 C ATOM 0 H MET A 71 -0.328 3.545 -4.972 1.00 0.34 H new ATOM 0 HA MET A 71 -1.318 6.138 -4.105 1.00 0.45 H new ATOM 0 HB2 MET A 71 -2.205 5.031 -2.251 1.00 0.74 H new ATOM 0 HB3 MET A 71 -2.297 3.847 -3.540 1.00 0.74 H new ATOM 0 HG2 MET A 71 -0.687 2.445 -2.566 1.00 0.90 H new ATOM 0 HG3 MET A 71 0.185 3.771 -1.821 1.00 0.90 H new ATOM 0 HE1 MET A 71 -3.980 2.396 -0.872 1.00 0.68 H new ATOM 0 HE2 MET A 71 -2.906 1.939 -2.215 1.00 0.68 H new ATOM 0 HE3 MET A 71 -2.878 1.010 -0.697 1.00 0.68 H new ATOM 1061 N MET A 72 1.622 5.166 -3.078 1.00 0.39 N ATOM 1062 CA MET A 72 2.831 5.660 -2.365 1.00 0.39 C ATOM 1063 C MET A 72 3.382 6.884 -3.098 1.00 0.31 C ATOM 1064 O MET A 72 3.789 7.854 -2.486 1.00 0.44 O ATOM 1065 CB MET A 72 3.896 4.559 -2.339 1.00 0.42 C ATOM 1066 CG MET A 72 3.495 3.478 -1.333 1.00 0.39 C ATOM 1067 SD MET A 72 3.591 4.141 0.351 1.00 0.69 S ATOM 1068 CE MET A 72 5.359 3.861 0.619 1.00 0.23 C ATOM 0 H MET A 72 1.745 4.290 -3.585 1.00 0.39 H new ATOM 0 HA MET A 72 2.567 5.932 -1.343 1.00 0.39 H new ATOM 0 HB2 MET A 72 4.006 4.123 -3.332 1.00 0.42 H new ATOM 0 HB3 MET A 72 4.863 4.982 -2.067 1.00 0.42 H new ATOM 0 HG2 MET A 72 2.482 3.133 -1.541 1.00 0.39 H new ATOM 0 HG3 MET A 72 4.153 2.614 -1.432 1.00 0.39 H new ATOM 0 HE1 MET A 72 5.585 3.950 1.682 1.00 0.23 H new ATOM 0 HE2 MET A 72 5.626 2.862 0.274 1.00 0.23 H new ATOM 0 HE3 MET A 72 5.933 4.602 0.063 1.00 0.23 H new ATOM 1078 N ALA A 73 3.399 6.852 -4.405 1.00 0.15 N ATOM 1079 CA ALA A 73 3.919 8.018 -5.163 1.00 0.22 C ATOM 1080 C ALA A 73 3.012 9.226 -4.920 1.00 0.21 C ATOM 1081 O ALA A 73 3.455 10.356 -4.931 1.00 0.27 O ATOM 1082 CB ALA A 73 3.954 7.687 -6.657 1.00 0.26 C ATOM 0 H ALA A 73 3.076 6.070 -4.975 1.00 0.15 H new ATOM 0 HA ALA A 73 4.929 8.251 -4.826 1.00 0.22 H new ATOM 0 HB1 ALA A 73 4.336 8.545 -7.211 1.00 0.26 H new ATOM 0 HB2 ALA A 73 4.604 6.828 -6.824 1.00 0.26 H new ATOM 0 HB3 ALA A 73 2.947 7.452 -7.001 1.00 0.26 H new ATOM 1222 N GLU A 82 12.075 18.771 -5.502 1.00 0.53 N ATOM 1223 CA GLU A 82 12.086 19.948 -6.407 1.00 0.72 C ATOM 1224 C GLU A 82 11.608 21.188 -5.641 1.00 0.74 C ATOM 1225 O GLU A 82 12.114 22.280 -5.822 1.00 0.82 O ATOM 1226 CB GLU A 82 11.148 19.637 -7.599 1.00 1.01 C ATOM 1227 CG GLU A 82 11.954 19.493 -8.901 1.00 1.08 C ATOM 1228 CD GLU A 82 11.015 19.101 -10.041 1.00 1.27 C ATOM 1229 OE1 GLU A 82 10.228 18.187 -9.848 1.00 0.80 O ATOM 1230 OE2 GLU A 82 11.097 19.720 -11.087 1.00 2.33 O ATOM 0 HA GLU A 82 13.092 20.149 -6.776 1.00 0.72 H new ATOM 0 HB2 GLU A 82 10.596 18.718 -7.404 1.00 1.01 H new ATOM 0 HB3 GLU A 82 10.412 20.434 -7.707 1.00 1.01 H new ATOM 0 HG2 GLU A 82 12.456 20.431 -9.136 1.00 1.08 H new ATOM 0 HG3 GLU A 82 12.730 18.738 -8.779 1.00 1.08 H new ATOM 1237 N GLU A 83 10.640 21.023 -4.794 1.00 0.75 N ATOM 1238 CA GLU A 83 10.116 22.182 -4.012 1.00 0.93 C ATOM 1239 C GLU A 83 11.175 22.645 -3.009 1.00 0.86 C ATOM 1240 O GLU A 83 11.136 23.756 -2.516 1.00 1.07 O ATOM 1241 CB GLU A 83 8.834 21.763 -3.269 1.00 1.00 C ATOM 1242 CG GLU A 83 7.628 21.853 -4.214 1.00 0.89 C ATOM 1243 CD GLU A 83 6.358 21.464 -3.455 1.00 1.23 C ATOM 1244 OE1 GLU A 83 6.464 21.152 -2.281 1.00 1.95 O ATOM 1245 OE2 GLU A 83 5.299 21.485 -4.062 1.00 1.38 O ATOM 0 H GLU A 83 10.182 20.132 -4.604 1.00 0.75 H new ATOM 0 HA GLU A 83 9.884 23.004 -4.689 1.00 0.93 H new ATOM 0 HB2 GLU A 83 8.937 20.745 -2.894 1.00 1.00 H new ATOM 0 HB3 GLU A 83 8.678 22.407 -2.404 1.00 1.00 H new ATOM 0 HG2 GLU A 83 7.534 22.865 -4.607 1.00 0.89 H new ATOM 0 HG3 GLU A 83 7.771 21.192 -5.068 1.00 0.89 H new ATOM 1252 N GLU A 84 12.115 21.802 -2.700 1.00 0.62 N ATOM 1253 CA GLU A 84 13.179 22.182 -1.727 1.00 0.65 C ATOM 1254 C GLU A 84 14.290 22.942 -2.445 1.00 0.62 C ATOM 1255 O GLU A 84 14.700 24.012 -2.032 1.00 0.64 O ATOM 1256 CB GLU A 84 13.758 20.919 -1.089 1.00 0.54 C ATOM 1257 CG GLU A 84 12.652 20.177 -0.333 1.00 0.59 C ATOM 1258 CD GLU A 84 12.334 20.918 0.966 1.00 0.68 C ATOM 1259 OE1 GLU A 84 13.246 21.106 1.756 1.00 1.43 O ATOM 1260 OE2 GLU A 84 11.185 21.286 1.152 1.00 1.49 O ATOM 0 H GLU A 84 12.195 20.859 -3.080 1.00 0.62 H new ATOM 0 HA GLU A 84 12.749 22.820 -0.955 1.00 0.65 H new ATOM 0 HB2 GLU A 84 14.185 20.274 -1.857 1.00 0.54 H new ATOM 0 HB3 GLU A 84 14.567 21.181 -0.407 1.00 0.54 H new ATOM 0 HG2 GLU A 84 11.758 20.107 -0.952 1.00 0.59 H new ATOM 0 HG3 GLU A 84 12.968 19.157 -0.114 1.00 0.59 H new ATOM 1267 N ILE A 85 14.781 22.403 -3.519 1.00 0.58 N ATOM 1268 CA ILE A 85 15.867 23.098 -4.263 1.00 0.55 C ATOM 1269 C ILE A 85 15.293 24.353 -4.931 1.00 0.63 C ATOM 1270 O ILE A 85 15.916 25.395 -4.942 1.00 0.65 O ATOM 1271 CB ILE A 85 16.474 22.159 -5.330 1.00 0.43 C ATOM 1272 CG1 ILE A 85 17.444 21.173 -4.654 1.00 0.36 C ATOM 1273 CG2 ILE A 85 17.237 22.993 -6.370 1.00 0.42 C ATOM 1274 CD1 ILE A 85 17.980 20.178 -5.689 1.00 0.23 C ATOM 0 H ILE A 85 14.480 21.513 -3.916 1.00 0.58 H new ATOM 0 HA ILE A 85 16.657 23.382 -3.568 1.00 0.55 H new ATOM 0 HB ILE A 85 15.675 21.604 -5.822 1.00 0.43 H new ATOM 0 HG12 ILE A 85 18.271 21.717 -4.198 1.00 0.36 H new ATOM 0 HG13 ILE A 85 16.934 20.638 -3.853 1.00 0.36 H new ATOM 0 HG21 ILE A 85 17.666 22.332 -7.123 1.00 0.42 H new ATOM 0 HG22 ILE A 85 16.552 23.693 -6.849 1.00 0.42 H new ATOM 0 HG23 ILE A 85 18.036 23.547 -5.877 1.00 0.42 H new ATOM 0 HD11 ILE A 85 18.666 19.483 -5.204 1.00 0.23 H new ATOM 0 HD12 ILE A 85 17.149 19.623 -6.125 1.00 0.23 H new ATOM 0 HD13 ILE A 85 18.507 20.719 -6.475 1.00 0.23 H new ATOM 1286 N ARG A 86 14.121 24.265 -5.492 1.00 0.69 N ATOM 1287 CA ARG A 86 13.535 25.459 -6.158 1.00 0.79 C ATOM 1288 C ARG A 86 13.234 26.531 -5.106 1.00 0.88 C ATOM 1289 O ARG A 86 13.277 27.711 -5.385 1.00 0.83 O ATOM 1290 CB ARG A 86 12.239 25.067 -6.868 1.00 0.84 C ATOM 1291 CG ARG A 86 11.816 26.200 -7.814 1.00 0.90 C ATOM 1292 CD ARG A 86 10.386 25.952 -8.349 1.00 1.09 C ATOM 1293 NE ARG A 86 10.333 26.232 -9.821 1.00 1.69 N ATOM 1294 CZ ARG A 86 10.871 27.313 -10.327 1.00 3.21 C ATOM 1295 NH1 ARG A 86 11.368 28.234 -9.547 1.00 4.26 N ATOM 1296 NH2 ARG A 86 10.877 27.488 -11.620 1.00 4.08 N ATOM 0 H ARG A 86 13.546 23.423 -5.518 1.00 0.69 H new ATOM 0 HA ARG A 86 14.243 25.850 -6.888 1.00 0.79 H new ATOM 0 HB2 ARG A 86 12.383 24.144 -7.429 1.00 0.84 H new ATOM 0 HB3 ARG A 86 11.454 24.876 -6.137 1.00 0.84 H new ATOM 0 HG2 ARG A 86 11.854 27.154 -7.288 1.00 0.90 H new ATOM 0 HG3 ARG A 86 12.516 26.267 -8.647 1.00 0.90 H new ATOM 0 HD2 ARG A 86 10.090 24.921 -8.156 1.00 1.09 H new ATOM 0 HD3 ARG A 86 9.676 26.591 -7.823 1.00 1.09 H new ATOM 0 HE ARG A 86 9.869 25.567 -10.440 1.00 1.69 H new ATOM 0 HH11 ARG A 86 11.339 28.115 -8.534 1.00 4.26 H new ATOM 0 HH12 ARG A 86 11.785 29.073 -9.950 1.00 4.26 H new ATOM 0 HH21 ARG A 86 10.464 26.784 -12.232 1.00 4.08 H new ATOM 0 HH22 ARG A 86 11.295 28.329 -12.019 1.00 4.08 H new ATOM 1310 N GLU A 87 12.922 26.135 -3.899 1.00 1.08 N ATOM 1311 CA GLU A 87 12.618 27.151 -2.853 1.00 1.19 C ATOM 1312 C GLU A 87 13.903 27.895 -2.476 1.00 1.06 C ATOM 1313 O GLU A 87 13.862 29.048 -2.091 1.00 1.03 O ATOM 1314 CB GLU A 87 11.985 26.480 -1.616 1.00 1.36 C ATOM 1315 CG GLU A 87 10.480 26.299 -1.835 1.00 1.35 C ATOM 1316 CD GLU A 87 9.766 27.639 -1.647 1.00 1.43 C ATOM 1317 OE1 GLU A 87 9.609 28.049 -0.508 1.00 2.04 O ATOM 1318 OE2 GLU A 87 9.389 28.232 -2.644 1.00 2.02 O ATOM 0 H GLU A 87 12.865 25.163 -3.596 1.00 1.08 H new ATOM 0 HA GLU A 87 11.898 27.869 -3.246 1.00 1.19 H new ATOM 0 HB2 GLU A 87 12.454 25.513 -1.436 1.00 1.36 H new ATOM 0 HB3 GLU A 87 12.162 27.090 -0.730 1.00 1.36 H new ATOM 0 HG2 GLU A 87 10.292 25.914 -2.837 1.00 1.35 H new ATOM 0 HG3 GLU A 87 10.086 25.565 -1.132 1.00 1.35 H new ATOM 1325 N ALA A 88 15.052 27.281 -2.615 1.00 1.00 N ATOM 1326 CA ALA A 88 16.305 28.019 -2.297 1.00 0.90 C ATOM 1327 C ALA A 88 16.614 28.887 -3.495 1.00 0.74 C ATOM 1328 O ALA A 88 16.975 30.037 -3.374 1.00 0.70 O ATOM 1329 CB ALA A 88 17.458 27.048 -2.064 1.00 0.93 C ATOM 0 H ALA A 88 15.173 26.318 -2.929 1.00 1.00 H new ATOM 0 HA ALA A 88 16.179 28.611 -1.391 1.00 0.90 H new ATOM 0 HB1 ALA A 88 18.364 27.608 -1.833 1.00 0.93 H new ATOM 0 HB2 ALA A 88 17.216 26.389 -1.230 1.00 0.93 H new ATOM 0 HB3 ALA A 88 17.619 26.452 -2.962 1.00 0.93 H new ATOM 1335 N PHE A 89 16.449 28.351 -4.663 1.00 0.69 N ATOM 1336 CA PHE A 89 16.707 29.166 -5.864 1.00 0.58 C ATOM 1337 C PHE A 89 15.710 30.328 -5.844 1.00 0.65 C ATOM 1338 O PHE A 89 16.010 31.425 -6.268 1.00 0.69 O ATOM 1339 CB PHE A 89 16.516 28.326 -7.135 1.00 0.59 C ATOM 1340 CG PHE A 89 17.796 27.569 -7.505 1.00 0.44 C ATOM 1341 CD1 PHE A 89 18.931 28.255 -7.977 1.00 0.25 C ATOM 1342 CD2 PHE A 89 17.847 26.168 -7.378 1.00 0.49 C ATOM 1343 CE1 PHE A 89 20.078 27.548 -8.317 1.00 0.15 C ATOM 1344 CE2 PHE A 89 19.027 25.467 -7.724 1.00 0.35 C ATOM 1345 CZ PHE A 89 20.134 26.176 -8.199 1.00 0.17 C ATOM 0 H PHE A 89 16.149 27.391 -4.835 1.00 0.69 H new ATOM 0 HA PHE A 89 17.733 29.534 -5.864 1.00 0.58 H new ATOM 0 HB2 PHE A 89 15.703 27.616 -6.984 1.00 0.59 H new ATOM 0 HB3 PHE A 89 16.224 28.975 -7.961 1.00 0.59 H new ATOM 0 HD1 PHE A 89 18.910 29.330 -8.075 1.00 0.25 H new ATOM 0 HD2 PHE A 89 16.985 25.627 -7.016 1.00 0.49 H new ATOM 0 HE1 PHE A 89 20.942 28.084 -8.681 1.00 0.15 H new ATOM 0 HE2 PHE A 89 19.072 24.393 -7.622 1.00 0.35 H new ATOM 0 HZ PHE A 89 21.035 25.648 -8.474 1.00 0.17 H new ATOM 1355 N ARG A 90 14.525 30.098 -5.326 1.00 0.67 N ATOM 1356 CA ARG A 90 13.525 31.200 -5.258 1.00 0.74 C ATOM 1357 C ARG A 90 14.164 32.367 -4.513 1.00 0.53 C ATOM 1358 O ARG A 90 14.178 33.490 -4.979 1.00 0.39 O ATOM 1359 CB ARG A 90 12.284 30.722 -4.501 1.00 1.02 C ATOM 1360 CG ARG A 90 11.155 31.747 -4.669 1.00 1.29 C ATOM 1361 CD ARG A 90 9.953 31.379 -3.768 1.00 1.68 C ATOM 1362 NE ARG A 90 8.676 31.504 -4.541 1.00 1.47 N ATOM 1363 CZ ARG A 90 8.428 32.555 -5.279 1.00 1.17 C ATOM 1364 NH1 ARG A 90 9.243 33.575 -5.273 1.00 1.64 N ATOM 1365 NH2 ARG A 90 7.342 32.599 -6.002 1.00 1.04 N ATOM 0 H ARG A 90 14.214 29.202 -4.952 1.00 0.67 H new ATOM 0 HA ARG A 90 13.226 31.507 -6.260 1.00 0.74 H new ATOM 0 HB2 ARG A 90 11.966 29.750 -4.879 1.00 1.02 H new ATOM 0 HB3 ARG A 90 12.517 30.592 -3.444 1.00 1.02 H new ATOM 0 HG2 ARG A 90 11.518 32.742 -4.413 1.00 1.29 H new ATOM 0 HG3 ARG A 90 10.839 31.781 -5.712 1.00 1.29 H new ATOM 0 HD2 ARG A 90 10.065 30.360 -3.397 1.00 1.68 H new ATOM 0 HD3 ARG A 90 9.926 32.034 -2.897 1.00 1.68 H new ATOM 0 HE ARG A 90 7.986 30.754 -4.491 1.00 1.47 H new ATOM 0 HH11 ARG A 90 10.080 33.556 -4.690 1.00 1.64 H new ATOM 0 HH12 ARG A 90 9.043 34.391 -5.851 1.00 1.64 H new ATOM 0 HH21 ARG A 90 6.689 31.815 -5.990 1.00 1.04 H new ATOM 0 HH22 ARG A 90 7.146 33.417 -6.578 1.00 1.04 H new ATOM 1379 N VAL A 91 14.722 32.095 -3.368 1.00 0.57 N ATOM 1380 CA VAL A 91 15.402 33.172 -2.587 1.00 0.51 C ATOM 1381 C VAL A 91 16.402 33.855 -3.515 1.00 0.30 C ATOM 1382 O VAL A 91 16.800 34.985 -3.304 1.00 0.35 O ATOM 1383 CB VAL A 91 16.164 32.534 -1.394 1.00 0.71 C ATOM 1384 CG1 VAL A 91 17.380 33.389 -0.994 1.00 0.75 C ATOM 1385 CG2 VAL A 91 15.227 32.403 -0.181 1.00 0.90 C ATOM 0 H VAL A 91 14.738 31.171 -2.935 1.00 0.57 H new ATOM 0 HA VAL A 91 14.676 33.890 -2.206 1.00 0.51 H new ATOM 0 HB VAL A 91 16.510 31.549 -1.707 1.00 0.71 H new ATOM 0 HG11 VAL A 91 17.895 32.919 -0.156 1.00 0.75 H new ATOM 0 HG12 VAL A 91 18.062 33.470 -1.840 1.00 0.75 H new ATOM 0 HG13 VAL A 91 17.045 34.384 -0.702 1.00 0.75 H new ATOM 0 HG21 VAL A 91 15.770 31.955 0.651 1.00 0.90 H new ATOM 0 HG22 VAL A 91 14.868 33.390 0.110 1.00 0.90 H new ATOM 0 HG23 VAL A 91 14.378 31.771 -0.443 1.00 0.90 H new ATOM 1395 N PHE A 92 16.855 33.138 -4.503 1.00 0.23 N ATOM 1396 CA PHE A 92 17.892 33.670 -5.428 1.00 0.04 C ATOM 1397 C PHE A 92 17.292 34.175 -6.739 1.00 0.27 C ATOM 1398 O PHE A 92 17.934 34.851 -7.509 1.00 0.45 O ATOM 1399 CB PHE A 92 18.895 32.528 -5.633 1.00 0.17 C ATOM 1400 CG PHE A 92 19.919 32.628 -4.542 1.00 0.37 C ATOM 1401 CD1 PHE A 92 20.961 33.510 -4.743 1.00 0.51 C ATOM 1402 CD2 PHE A 92 19.782 31.935 -3.319 1.00 0.58 C ATOM 1403 CE1 PHE A 92 21.905 33.722 -3.740 1.00 0.81 C ATOM 1404 CE2 PHE A 92 20.715 32.161 -2.302 1.00 0.85 C ATOM 1405 CZ PHE A 92 21.779 33.053 -2.515 1.00 0.96 C ATOM 0 H PHE A 92 16.545 32.189 -4.712 1.00 0.23 H new ATOM 0 HA PHE A 92 18.387 34.546 -5.008 1.00 0.04 H new ATOM 0 HB2 PHE A 92 18.390 31.563 -5.598 1.00 0.17 H new ATOM 0 HB3 PHE A 92 19.369 32.604 -6.612 1.00 0.17 H new ATOM 0 HD1 PHE A 92 21.045 34.038 -5.681 1.00 0.51 H new ATOM 0 HD2 PHE A 92 18.968 31.240 -3.171 1.00 0.58 H new ATOM 0 HE1 PHE A 92 22.730 34.399 -3.906 1.00 0.81 H new ATOM 0 HE2 PHE A 92 20.618 31.651 -1.355 1.00 0.85 H new ATOM 0 HZ PHE A 92 22.503 33.224 -1.732 1.00 0.96 H new ATOM 1415 N ASP A 93 16.054 33.918 -6.953 1.00 0.38 N ATOM 1416 CA ASP A 93 15.369 34.417 -8.180 1.00 0.65 C ATOM 1417 C ASP A 93 14.802 35.804 -7.853 1.00 0.48 C ATOM 1418 O ASP A 93 13.613 36.042 -7.895 1.00 0.43 O ATOM 1419 CB ASP A 93 14.221 33.472 -8.550 1.00 0.92 C ATOM 1420 CG ASP A 93 13.401 34.083 -9.687 1.00 1.17 C ATOM 1421 OD1 ASP A 93 13.848 35.071 -10.249 1.00 0.37 O ATOM 1422 OD2 ASP A 93 12.345 33.552 -9.980 1.00 2.20 O ATOM 0 H ASP A 93 15.463 33.373 -6.325 1.00 0.38 H new ATOM 0 HA ASP A 93 16.064 34.467 -9.018 1.00 0.65 H new ATOM 0 HB2 ASP A 93 14.617 32.503 -8.854 1.00 0.92 H new ATOM 0 HB3 ASP A 93 13.585 33.298 -7.682 1.00 0.92 H new ATOM 1489 N TYR A 99 15.952 33.382 -13.767 1.00 0.72 N ATOM 1490 CA TYR A 99 17.340 33.467 -14.324 1.00 0.43 C ATOM 1491 C TYR A 99 18.269 34.110 -13.283 1.00 0.39 C ATOM 1492 O TYR A 99 17.962 35.153 -12.738 1.00 0.40 O ATOM 1493 CB TYR A 99 17.329 34.343 -15.589 1.00 0.52 C ATOM 1494 CG TYR A 99 16.850 33.540 -16.779 1.00 0.37 C ATOM 1495 CD1 TYR A 99 15.516 33.126 -16.849 1.00 1.72 C ATOM 1496 CD2 TYR A 99 17.735 33.219 -17.816 1.00 1.54 C ATOM 1497 CE1 TYR A 99 15.066 32.391 -17.952 1.00 1.51 C ATOM 1498 CE2 TYR A 99 17.286 32.483 -18.919 1.00 1.76 C ATOM 1499 CZ TYR A 99 15.951 32.070 -18.987 1.00 0.46 C ATOM 1500 OH TYR A 99 15.508 31.345 -20.075 1.00 0.63 O ATOM 0 HA TYR A 99 17.694 32.465 -14.569 1.00 0.43 H new ATOM 0 HB2 TYR A 99 16.679 35.205 -15.437 1.00 0.52 H new ATOM 0 HB3 TYR A 99 18.330 34.729 -15.781 1.00 0.52 H new ATOM 0 HD1 TYR A 99 14.832 33.374 -16.051 1.00 1.72 H new ATOM 0 HD2 TYR A 99 18.765 33.540 -17.765 1.00 1.54 H new ATOM 0 HE1 TYR A 99 14.036 32.072 -18.004 1.00 1.51 H new ATOM 0 HE2 TYR A 99 17.970 32.234 -19.717 1.00 1.76 H new ATOM 0 HH TYR A 99 16.249 31.210 -20.702 1.00 0.63 H new ATOM 1510 N ILE A 100 19.415 33.523 -13.028 1.00 0.33 N ATOM 1511 CA ILE A 100 20.376 34.139 -12.045 1.00 0.29 C ATOM 1512 C ILE A 100 21.806 33.970 -12.568 1.00 0.25 C ATOM 1513 O ILE A 100 22.053 33.222 -13.493 1.00 0.24 O ATOM 1514 CB ILE A 100 20.270 33.502 -10.643 1.00 0.19 C ATOM 1515 CG1 ILE A 100 20.522 31.990 -10.716 1.00 0.13 C ATOM 1516 CG2 ILE A 100 18.887 33.761 -10.025 1.00 0.28 C ATOM 1517 CD1 ILE A 100 20.234 31.339 -9.355 1.00 0.09 C ATOM 0 H ILE A 100 19.729 32.650 -13.452 1.00 0.33 H new ATOM 0 HA ILE A 100 20.119 35.194 -11.948 1.00 0.29 H new ATOM 0 HB ILE A 100 21.030 33.962 -10.012 1.00 0.19 H new ATOM 0 HG12 ILE A 100 19.887 31.545 -11.482 1.00 0.13 H new ATOM 0 HG13 ILE A 100 21.555 31.800 -11.007 1.00 0.13 H new ATOM 0 HG21 ILE A 100 18.838 33.302 -9.038 1.00 0.28 H new ATOM 0 HG22 ILE A 100 18.724 34.835 -9.934 1.00 0.28 H new ATOM 0 HG23 ILE A 100 18.116 33.330 -10.664 1.00 0.28 H new ATOM 0 HD11 ILE A 100 20.416 30.266 -9.419 1.00 0.09 H new ATOM 0 HD12 ILE A 100 20.887 31.774 -8.598 1.00 0.09 H new ATOM 0 HD13 ILE A 100 19.194 31.515 -9.081 1.00 0.09 H new ATOM 1529 N SER A 101 22.750 34.649 -11.976 1.00 0.24 N ATOM 1530 CA SER A 101 24.166 34.516 -12.433 1.00 0.20 C ATOM 1531 C SER A 101 24.759 33.216 -11.876 1.00 0.12 C ATOM 1532 O SER A 101 24.493 32.834 -10.753 1.00 0.14 O ATOM 1533 CB SER A 101 24.985 35.712 -11.939 1.00 0.27 C ATOM 1534 OG SER A 101 25.022 35.703 -10.517 1.00 0.31 O ATOM 0 H SER A 101 22.604 35.290 -11.196 1.00 0.24 H new ATOM 0 HA SER A 101 24.195 34.491 -13.522 1.00 0.20 H new ATOM 0 HB2 SER A 101 25.997 35.665 -12.341 1.00 0.27 H new ATOM 0 HB3 SER A 101 24.543 36.642 -12.297 1.00 0.27 H new ATOM 0 HG SER A 101 25.547 36.467 -10.199 1.00 0.31 H new ATOM 1540 N ALA A 102 25.548 32.532 -12.663 1.00 0.06 N ATOM 1541 CA ALA A 102 26.159 31.245 -12.206 1.00 0.11 C ATOM 1542 C ALA A 102 26.644 31.359 -10.762 1.00 0.19 C ATOM 1543 O ALA A 102 26.606 30.405 -10.018 1.00 0.22 O ATOM 1544 CB ALA A 102 27.344 30.901 -13.110 1.00 0.15 C ATOM 0 H ALA A 102 25.798 32.811 -13.612 1.00 0.06 H new ATOM 0 HA ALA A 102 25.404 30.461 -12.260 1.00 0.11 H new ATOM 0 HB1 ALA A 102 27.793 29.964 -12.781 1.00 0.15 H new ATOM 0 HB2 ALA A 102 26.999 30.797 -14.139 1.00 0.15 H new ATOM 0 HB3 ALA A 102 28.086 31.697 -13.056 1.00 0.15 H new ATOM 1550 N ALA A 103 27.100 32.508 -10.356 1.00 0.23 N ATOM 1551 CA ALA A 103 27.578 32.650 -8.952 1.00 0.33 C ATOM 1552 C ALA A 103 26.412 32.362 -8.015 1.00 0.27 C ATOM 1553 O ALA A 103 26.430 31.426 -7.247 1.00 0.24 O ATOM 1554 CB ALA A 103 28.090 34.073 -8.717 1.00 0.45 C ATOM 0 H ALA A 103 27.163 33.350 -10.929 1.00 0.23 H new ATOM 0 HA ALA A 103 28.393 31.951 -8.764 1.00 0.33 H new ATOM 0 HB1 ALA A 103 28.438 34.169 -7.688 1.00 0.45 H new ATOM 0 HB2 ALA A 103 28.914 34.281 -9.400 1.00 0.45 H new ATOM 0 HB3 ALA A 103 27.283 34.784 -8.895 1.00 0.45 H new ATOM 1560 N GLU A 104 25.393 33.151 -8.108 1.00 0.27 N ATOM 1561 CA GLU A 104 24.184 32.939 -7.263 1.00 0.26 C ATOM 1562 C GLU A 104 23.744 31.478 -7.397 1.00 0.12 C ATOM 1563 O GLU A 104 23.265 30.874 -6.459 1.00 0.06 O ATOM 1564 CB GLU A 104 23.079 33.862 -7.790 1.00 0.37 C ATOM 1565 CG GLU A 104 23.207 35.254 -7.158 1.00 0.44 C ATOM 1566 CD GLU A 104 22.186 36.198 -7.799 1.00 0.44 C ATOM 1567 OE1 GLU A 104 21.866 35.993 -8.958 1.00 0.71 O ATOM 1568 OE2 GLU A 104 21.740 37.107 -7.119 1.00 0.56 O ATOM 0 H GLU A 104 25.338 33.949 -8.741 1.00 0.27 H new ATOM 0 HA GLU A 104 24.390 33.159 -6.216 1.00 0.26 H new ATOM 0 HB2 GLU A 104 23.146 33.939 -8.875 1.00 0.37 H new ATOM 0 HB3 GLU A 104 22.101 33.439 -7.561 1.00 0.37 H new ATOM 0 HG2 GLU A 104 23.039 35.194 -6.083 1.00 0.44 H new ATOM 0 HG3 GLU A 104 24.216 35.640 -7.302 1.00 0.44 H new ATOM 1575 N LEU A 105 23.902 30.910 -8.562 1.00 0.12 N ATOM 1576 CA LEU A 105 23.495 29.490 -8.759 1.00 0.06 C ATOM 1577 C LEU A 105 24.428 28.587 -7.959 1.00 0.14 C ATOM 1578 O LEU A 105 23.994 27.733 -7.215 1.00 0.16 O ATOM 1579 CB LEU A 105 23.591 29.134 -10.249 1.00 0.09 C ATOM 1580 CG LEU A 105 23.041 27.688 -10.501 1.00 0.11 C ATOM 1581 CD1 LEU A 105 21.767 27.680 -11.375 1.00 0.05 C ATOM 1582 CD2 LEU A 105 24.091 26.832 -11.202 1.00 0.21 C ATOM 0 H LEU A 105 24.295 31.368 -9.385 1.00 0.12 H new ATOM 0 HA LEU A 105 22.469 29.350 -8.419 1.00 0.06 H new ATOM 0 HB2 LEU A 105 23.024 29.854 -10.839 1.00 0.09 H new ATOM 0 HB3 LEU A 105 24.628 29.198 -10.579 1.00 0.09 H new ATOM 0 HG LEU A 105 22.797 27.283 -9.519 1.00 0.11 H new ATOM 0 HD11 LEU A 105 21.430 26.653 -11.517 1.00 0.05 H new ATOM 0 HD12 LEU A 105 20.983 28.254 -10.881 1.00 0.05 H new ATOM 0 HD13 LEU A 105 21.988 28.127 -12.344 1.00 0.05 H new ATOM 0 HD21 LEU A 105 23.692 25.831 -11.369 1.00 0.21 H new ATOM 0 HD22 LEU A 105 24.349 27.284 -12.160 1.00 0.21 H new ATOM 0 HD23 LEU A 105 24.983 26.768 -10.579 1.00 0.21 H new ATOM 1594 N ARG A 106 25.709 28.787 -8.089 1.00 0.22 N ATOM 1595 CA ARG A 106 26.665 27.956 -7.316 1.00 0.32 C ATOM 1596 C ARG A 106 26.388 28.202 -5.838 1.00 0.31 C ATOM 1597 O ARG A 106 26.449 27.309 -5.022 1.00 0.32 O ATOM 1598 CB ARG A 106 28.103 28.378 -7.656 1.00 0.42 C ATOM 1599 CG ARG A 106 28.581 27.654 -8.931 1.00 0.59 C ATOM 1600 CD ARG A 106 29.817 28.366 -9.543 1.00 0.84 C ATOM 1601 NE ARG A 106 30.913 27.373 -9.814 1.00 1.15 N ATOM 1602 CZ ARG A 106 31.381 26.591 -8.875 1.00 1.16 C ATOM 1603 NH1 ARG A 106 30.965 26.717 -7.643 1.00 1.37 N ATOM 1604 NH2 ARG A 106 32.290 25.700 -9.165 1.00 1.97 N ATOM 0 H ARG A 106 26.132 29.489 -8.696 1.00 0.22 H new ATOM 0 HA ARG A 106 26.549 26.900 -7.558 1.00 0.32 H new ATOM 0 HB2 ARG A 106 28.148 29.457 -7.803 1.00 0.42 H new ATOM 0 HB3 ARG A 106 28.766 28.141 -6.824 1.00 0.42 H new ATOM 0 HG2 ARG A 106 28.832 26.620 -8.694 1.00 0.59 H new ATOM 0 HG3 ARG A 106 27.773 27.626 -9.662 1.00 0.59 H new ATOM 0 HD2 ARG A 106 29.535 28.867 -10.469 1.00 0.84 H new ATOM 0 HD3 ARG A 106 30.176 29.136 -8.860 1.00 0.84 H new ATOM 0 HE ARG A 106 31.302 27.307 -10.755 1.00 1.15 H new ATOM 0 HH11 ARG A 106 30.272 27.428 -7.409 1.00 1.37 H new ATOM 0 HH12 ARG A 106 31.333 26.105 -6.915 1.00 1.37 H new ATOM 0 HH21 ARG A 106 32.634 25.615 -10.122 1.00 1.97 H new ATOM 0 HH22 ARG A 106 32.657 25.089 -8.435 1.00 1.97 H new ATOM 1618 N HIS A 107 26.070 29.421 -5.507 1.00 0.30 N ATOM 1619 CA HIS A 107 25.771 29.775 -4.099 1.00 0.31 C ATOM 1620 C HIS A 107 24.490 29.061 -3.656 1.00 0.26 C ATOM 1621 O HIS A 107 24.417 28.517 -2.572 1.00 0.26 O ATOM 1622 CB HIS A 107 25.585 31.293 -3.999 1.00 0.31 C ATOM 1623 CG HIS A 107 25.448 31.663 -2.562 1.00 0.56 C ATOM 1624 ND1 HIS A 107 26.473 32.235 -1.827 1.00 1.13 N ATOM 1625 CD2 HIS A 107 24.396 31.538 -1.715 1.00 0.82 C ATOM 1626 CE1 HIS A 107 26.009 32.429 -0.580 1.00 1.25 C ATOM 1627 NE2 HIS A 107 24.742 32.019 -0.456 1.00 1.11 N ATOM 0 H HIS A 107 26.004 30.197 -6.166 1.00 0.30 H new ATOM 0 HA HIS A 107 26.592 29.465 -3.452 1.00 0.31 H new ATOM 0 HB2 HIS A 107 26.437 31.808 -4.442 1.00 0.31 H new ATOM 0 HB3 HIS A 107 24.700 31.603 -4.555 1.00 0.31 H new ATOM 0 HD2 HIS A 107 23.433 31.126 -1.979 1.00 0.82 H new ATOM 0 HE1 HIS A 107 26.588 32.862 0.222 1.00 1.25 H new ATOM 0 HE2 HIS A 107 24.157 32.052 0.379 1.00 1.11 H new ATOM 1635 N VAL A 108 23.486 29.042 -4.490 1.00 0.21 N ATOM 1636 CA VAL A 108 22.226 28.346 -4.115 1.00 0.17 C ATOM 1637 C VAL A 108 22.548 26.880 -3.832 1.00 0.19 C ATOM 1638 O VAL A 108 21.973 26.263 -2.958 1.00 0.18 O ATOM 1639 CB VAL A 108 21.217 28.407 -5.278 1.00 0.19 C ATOM 1640 CG1 VAL A 108 20.048 27.415 -5.014 1.00 0.14 C ATOM 1641 CG2 VAL A 108 20.674 29.840 -5.402 1.00 0.32 C ATOM 0 H VAL A 108 23.485 29.478 -5.412 1.00 0.21 H new ATOM 0 HA VAL A 108 21.796 28.829 -3.238 1.00 0.17 H new ATOM 0 HB VAL A 108 21.712 28.126 -6.207 1.00 0.19 H new ATOM 0 HG11 VAL A 108 19.337 27.462 -5.839 1.00 0.14 H new ATOM 0 HG12 VAL A 108 20.442 26.402 -4.932 1.00 0.14 H new ATOM 0 HG13 VAL A 108 19.544 27.685 -4.086 1.00 0.14 H new ATOM 0 HG21 VAL A 108 19.959 29.889 -6.224 1.00 0.32 H new ATOM 0 HG22 VAL A 108 20.179 30.123 -4.473 1.00 0.32 H new ATOM 0 HG23 VAL A 108 21.498 30.526 -5.597 1.00 0.32 H new ATOM 1651 N MET A 109 23.438 26.308 -4.598 1.00 0.23 N ATOM 1652 CA MET A 109 23.767 24.873 -4.408 1.00 0.26 C ATOM 1653 C MET A 109 24.629 24.667 -3.148 1.00 0.28 C ATOM 1654 O MET A 109 24.596 23.616 -2.540 1.00 0.31 O ATOM 1655 CB MET A 109 24.504 24.362 -5.651 1.00 0.30 C ATOM 1656 CG MET A 109 23.622 24.576 -6.892 1.00 0.22 C ATOM 1657 SD MET A 109 24.639 24.437 -8.383 1.00 0.14 S ATOM 1658 CE MET A 109 24.328 22.685 -8.715 1.00 0.13 C ATOM 0 H MET A 109 23.950 26.776 -5.346 1.00 0.23 H new ATOM 0 HA MET A 109 22.844 24.310 -4.272 1.00 0.26 H new ATOM 0 HB2 MET A 109 25.450 24.890 -5.769 1.00 0.30 H new ATOM 0 HB3 MET A 109 24.741 23.304 -5.538 1.00 0.30 H new ATOM 0 HG2 MET A 109 22.821 23.837 -6.914 1.00 0.22 H new ATOM 0 HG3 MET A 109 23.149 25.557 -6.851 1.00 0.22 H new ATOM 0 HE1 MET A 109 24.926 22.365 -9.568 1.00 0.13 H new ATOM 0 HE2 MET A 109 24.600 22.095 -7.840 1.00 0.13 H new ATOM 0 HE3 MET A 109 23.271 22.539 -8.937 1.00 0.13 H new ATOM 1668 N THR A 110 25.412 25.647 -2.746 1.00 0.27 N ATOM 1669 CA THR A 110 26.266 25.477 -1.541 1.00 0.28 C ATOM 1670 C THR A 110 25.471 25.817 -0.267 1.00 0.22 C ATOM 1671 O THR A 110 25.559 25.125 0.728 1.00 0.22 O ATOM 1672 CB THR A 110 27.487 26.418 -1.689 1.00 0.33 C ATOM 1673 OG1 THR A 110 27.405 27.082 -2.938 1.00 0.34 O ATOM 1674 CG2 THR A 110 28.793 25.621 -1.639 1.00 0.39 C ATOM 0 H THR A 110 25.490 26.554 -3.207 1.00 0.27 H new ATOM 0 HA THR A 110 26.598 24.442 -1.455 1.00 0.28 H new ATOM 0 HB THR A 110 27.480 27.136 -0.869 1.00 0.33 H new ATOM 0 HG1 THR A 110 27.191 26.433 -3.640 1.00 0.34 H new ATOM 0 HG21 THR A 110 29.638 26.301 -1.745 1.00 0.39 H new ATOM 0 HG22 THR A 110 28.864 25.099 -0.685 1.00 0.39 H new ATOM 0 HG23 THR A 110 28.807 24.895 -2.452 1.00 0.39 H new ATOM 1682 N ASN A 111 24.712 26.883 -0.279 1.00 0.18 N ATOM 1683 CA ASN A 111 23.944 27.258 0.943 1.00 0.14 C ATOM 1684 C ASN A 111 22.897 26.191 1.251 1.00 0.09 C ATOM 1685 O ASN A 111 22.493 26.011 2.383 1.00 0.08 O ATOM 1686 CB ASN A 111 23.255 28.612 0.724 1.00 0.21 C ATOM 1687 CG ASN A 111 24.273 29.742 0.912 1.00 1.51 C ATOM 1688 OD1 ASN A 111 23.953 30.779 1.459 1.00 2.06 O ATOM 1689 ND2 ASN A 111 25.495 29.581 0.483 1.00 2.72 N ATOM 0 H ASN A 111 24.592 27.506 -1.078 1.00 0.18 H new ATOM 0 HA ASN A 111 24.631 27.334 1.786 1.00 0.14 H new ATOM 0 HB2 ASN A 111 22.828 28.656 -0.278 1.00 0.21 H new ATOM 0 HB3 ASN A 111 22.431 28.730 1.427 1.00 0.21 H new ATOM 0 HD21 ASN A 111 26.181 30.325 0.607 1.00 2.72 H new ATOM 0 HD22 ASN A 111 25.764 28.711 0.024 1.00 2.72 H new ATOM 1696 N LEU A 112 22.453 25.489 0.257 1.00 0.13 N ATOM 1697 CA LEU A 112 21.421 24.440 0.497 1.00 0.13 C ATOM 1698 C LEU A 112 21.964 23.399 1.474 1.00 0.11 C ATOM 1699 O LEU A 112 21.233 22.770 2.213 1.00 0.10 O ATOM 1700 CB LEU A 112 21.033 23.778 -0.839 1.00 0.22 C ATOM 1701 CG LEU A 112 19.852 24.535 -1.481 1.00 0.27 C ATOM 1702 CD1 LEU A 112 19.702 24.095 -2.939 1.00 0.41 C ATOM 1703 CD2 LEU A 112 18.540 24.251 -0.715 1.00 0.27 C ATOM 0 H LEU A 112 22.755 25.591 -0.712 1.00 0.13 H new ATOM 0 HA LEU A 112 20.531 24.896 0.931 1.00 0.13 H new ATOM 0 HB2 LEU A 112 21.887 23.779 -1.516 1.00 0.22 H new ATOM 0 HB3 LEU A 112 20.760 22.736 -0.672 1.00 0.22 H new ATOM 0 HG LEU A 112 20.054 25.605 -1.435 1.00 0.27 H new ATOM 0 HD11 LEU A 112 18.868 24.628 -3.396 1.00 0.41 H new ATOM 0 HD12 LEU A 112 20.619 24.321 -3.483 1.00 0.41 H new ATOM 0 HD13 LEU A 112 19.512 23.022 -2.978 1.00 0.41 H new ATOM 0 HD21 LEU A 112 17.720 24.794 -1.184 1.00 0.27 H new ATOM 0 HD22 LEU A 112 18.328 23.182 -0.740 1.00 0.27 H new ATOM 0 HD23 LEU A 112 18.645 24.576 0.320 1.00 0.27 H new ATOM 1715 N GLY A 113 23.238 23.242 1.486 1.00 0.14 N ATOM 1716 CA GLY A 113 23.880 22.268 2.419 1.00 0.20 C ATOM 1717 C GLY A 113 23.929 20.875 1.791 1.00 0.15 C ATOM 1718 O GLY A 113 23.893 19.875 2.479 1.00 0.13 O ATOM 0 H GLY A 113 23.887 23.749 0.884 1.00 0.14 H new ATOM 0 HA2 GLY A 113 24.890 22.599 2.661 1.00 0.20 H new ATOM 0 HA3 GLY A 113 23.323 22.232 3.355 1.00 0.20 H new ATOM 1722 N GLU A 114 24.018 20.795 0.493 1.00 0.24 N ATOM 1723 CA GLU A 114 24.082 19.466 -0.166 1.00 0.33 C ATOM 1724 C GLU A 114 25.518 18.927 -0.055 1.00 0.39 C ATOM 1725 O GLU A 114 26.470 19.679 -0.142 1.00 0.53 O ATOM 1726 CB GLU A 114 23.691 19.620 -1.641 1.00 0.50 C ATOM 1727 CG GLU A 114 22.180 19.836 -1.746 1.00 0.43 C ATOM 1728 CD GLU A 114 21.816 20.230 -3.179 1.00 1.51 C ATOM 1729 OE1 GLU A 114 22.641 20.854 -3.828 1.00 2.77 O ATOM 1730 OE2 GLU A 114 20.719 19.903 -3.601 1.00 1.57 O ATOM 0 H GLU A 114 24.049 21.595 -0.139 1.00 0.24 H new ATOM 0 HA GLU A 114 23.395 18.769 0.315 1.00 0.33 H new ATOM 0 HB2 GLU A 114 24.222 20.463 -2.083 1.00 0.50 H new ATOM 0 HB3 GLU A 114 23.982 18.731 -2.201 1.00 0.50 H new ATOM 0 HG2 GLU A 114 21.652 18.925 -1.463 1.00 0.43 H new ATOM 0 HG3 GLU A 114 21.865 20.616 -1.053 1.00 0.43 H new ATOM 1737 N LYS A 115 25.704 17.642 0.156 1.00 0.42 N ATOM 1738 CA LYS A 115 27.086 17.104 0.288 1.00 0.53 C ATOM 1739 C LYS A 115 27.709 16.925 -1.087 1.00 0.53 C ATOM 1740 O LYS A 115 28.438 15.985 -1.345 1.00 0.72 O ATOM 1741 CB LYS A 115 27.041 15.753 0.989 1.00 0.72 C ATOM 1742 CG LYS A 115 26.605 15.917 2.460 1.00 0.62 C ATOM 1743 CD LYS A 115 25.074 15.896 2.576 1.00 1.61 C ATOM 1744 CE LYS A 115 24.680 15.845 4.055 1.00 2.30 C ATOM 1745 NZ LYS A 115 23.238 16.193 4.197 1.00 3.62 N ATOM 0 H LYS A 115 24.958 16.951 0.241 1.00 0.42 H new ATOM 0 HA LYS A 115 27.684 17.806 0.869 1.00 0.53 H new ATOM 0 HB2 LYS A 115 26.347 15.091 0.470 1.00 0.72 H new ATOM 0 HB3 LYS A 115 28.023 15.282 0.946 1.00 0.72 H new ATOM 0 HG2 LYS A 115 27.032 15.115 3.063 1.00 0.62 H new ATOM 0 HG3 LYS A 115 26.992 16.855 2.857 1.00 0.62 H new ATOM 0 HD2 LYS A 115 24.650 16.783 2.105 1.00 1.61 H new ATOM 0 HD3 LYS A 115 24.670 15.031 2.050 1.00 1.61 H new ATOM 0 HE2 LYS A 115 24.866 14.849 4.458 1.00 2.30 H new ATOM 0 HE3 LYS A 115 25.291 16.541 4.629 1.00 2.30 H new ATOM 0 HZ1 LYS A 115 22.970 16.159 5.201 1.00 3.62 H new ATOM 0 HZ2 LYS A 115 23.074 17.151 3.828 1.00 3.62 H new ATOM 0 HZ3 LYS A 115 22.662 15.512 3.661 1.00 3.62 H new ATOM 1759 N LEU A 116 27.439 17.832 -1.957 1.00 0.37 N ATOM 1760 CA LEU A 116 28.018 17.762 -3.335 1.00 0.44 C ATOM 1761 C LEU A 116 29.387 18.445 -3.330 1.00 0.34 C ATOM 1762 O LEU A 116 29.557 19.510 -2.766 1.00 0.25 O ATOM 1763 CB LEU A 116 27.094 18.474 -4.336 1.00 0.53 C ATOM 1764 CG LEU A 116 25.764 17.707 -4.466 1.00 1.21 C ATOM 1765 CD1 LEU A 116 24.682 18.641 -5.015 1.00 1.42 C ATOM 1766 CD2 LEU A 116 25.925 16.518 -5.427 1.00 1.91 C ATOM 0 H LEU A 116 26.835 18.636 -1.785 1.00 0.37 H new ATOM 0 HA LEU A 116 28.120 16.718 -3.633 1.00 0.44 H new ATOM 0 HB2 LEU A 116 26.903 19.495 -4.004 1.00 0.53 H new ATOM 0 HB3 LEU A 116 27.581 18.541 -5.309 1.00 0.53 H new ATOM 0 HG LEU A 116 25.478 17.341 -3.480 1.00 1.21 H new ATOM 0 HD11 LEU A 116 23.743 18.096 -5.106 1.00 1.42 H new ATOM 0 HD12 LEU A 116 24.549 19.483 -4.335 1.00 1.42 H new ATOM 0 HD13 LEU A 116 24.983 19.010 -5.995 1.00 1.42 H new ATOM 0 HD21 LEU A 116 24.977 15.986 -5.509 1.00 1.91 H new ATOM 0 HD22 LEU A 116 26.223 16.883 -6.410 1.00 1.91 H new ATOM 0 HD23 LEU A 116 26.689 15.842 -5.044 1.00 1.91 H new ATOM 1778 N THR A 117 30.366 17.843 -3.946 1.00 0.44 N ATOM 1779 CA THR A 117 31.727 18.456 -3.969 1.00 0.37 C ATOM 1780 C THR A 117 31.806 19.495 -5.090 1.00 0.30 C ATOM 1781 O THR A 117 31.173 19.364 -6.117 1.00 0.29 O ATOM 1782 CB THR A 117 32.775 17.367 -4.211 1.00 0.44 C ATOM 1783 OG1 THR A 117 32.480 16.690 -5.425 1.00 0.46 O ATOM 1784 CG2 THR A 117 32.763 16.369 -3.050 1.00 0.53 C ATOM 0 H THR A 117 30.284 16.952 -4.436 1.00 0.44 H new ATOM 0 HA THR A 117 31.919 18.941 -3.012 1.00 0.37 H new ATOM 0 HB THR A 117 33.762 17.824 -4.279 1.00 0.44 H new ATOM 0 HG1 THR A 117 33.151 15.993 -5.582 1.00 0.46 H new ATOM 0 HG21 THR A 117 33.511 15.596 -3.227 1.00 0.53 H new ATOM 0 HG22 THR A 117 32.992 16.890 -2.120 1.00 0.53 H new ATOM 0 HG23 THR A 117 31.777 15.910 -2.975 1.00 0.53 H new ATOM 1792 N ASP A 118 32.582 20.527 -4.898 1.00 0.26 N ATOM 1793 CA ASP A 118 32.706 21.575 -5.950 1.00 0.24 C ATOM 1794 C ASP A 118 33.031 20.918 -7.293 1.00 0.23 C ATOM 1795 O ASP A 118 32.693 21.428 -8.344 1.00 0.20 O ATOM 1796 CB ASP A 118 33.827 22.545 -5.572 1.00 0.24 C ATOM 1797 CG ASP A 118 33.590 23.066 -4.152 1.00 0.43 C ATOM 1798 OD1 ASP A 118 32.592 22.686 -3.561 1.00 1.13 O ATOM 1799 OD2 ASP A 118 34.411 23.835 -3.681 1.00 1.17 O ATOM 0 H ASP A 118 33.136 20.689 -4.057 1.00 0.26 H new ATOM 0 HA ASP A 118 31.765 22.119 -6.032 1.00 0.24 H new ATOM 0 HB2 ASP A 118 34.793 22.043 -5.631 1.00 0.24 H new ATOM 0 HB3 ASP A 118 33.857 23.376 -6.276 1.00 0.24 H new ATOM 1804 N GLU A 119 33.687 19.788 -7.271 1.00 0.30 N ATOM 1805 CA GLU A 119 34.033 19.101 -8.551 1.00 0.31 C ATOM 1806 C GLU A 119 32.752 18.616 -9.231 1.00 0.30 C ATOM 1807 O GLU A 119 32.530 18.861 -10.403 1.00 0.30 O ATOM 1808 CB GLU A 119 34.939 17.903 -8.265 1.00 0.34 C ATOM 1809 CG GLU A 119 36.332 18.396 -7.867 1.00 0.47 C ATOM 1810 CD GLU A 119 36.229 19.272 -6.618 1.00 1.44 C ATOM 1811 OE1 GLU A 119 35.550 18.867 -5.688 1.00 1.72 O ATOM 1812 OE2 GLU A 119 36.829 20.333 -6.611 1.00 2.43 O ATOM 0 H GLU A 119 33.998 19.311 -6.424 1.00 0.30 H new ATOM 0 HA GLU A 119 34.553 19.800 -9.205 1.00 0.31 H new ATOM 0 HB2 GLU A 119 34.515 17.296 -7.465 1.00 0.34 H new ATOM 0 HB3 GLU A 119 35.006 17.266 -9.147 1.00 0.34 H new ATOM 0 HG2 GLU A 119 36.988 17.547 -7.675 1.00 0.47 H new ATOM 0 HG3 GLU A 119 36.776 18.963 -8.685 1.00 0.47 H new ATOM 1819 N GLU A 120 31.905 17.931 -8.512 1.00 0.31 N ATOM 1820 CA GLU A 120 30.641 17.434 -9.124 1.00 0.30 C ATOM 1821 C GLU A 120 29.926 18.599 -9.810 1.00 0.28 C ATOM 1822 O GLU A 120 29.283 18.435 -10.826 1.00 0.24 O ATOM 1823 CB GLU A 120 29.740 16.845 -8.030 1.00 0.34 C ATOM 1824 CG GLU A 120 30.236 15.446 -7.651 1.00 0.35 C ATOM 1825 CD GLU A 120 29.525 14.981 -6.378 1.00 0.45 C ATOM 1826 OE1 GLU A 120 28.879 15.802 -5.749 1.00 0.50 O ATOM 1827 OE2 GLU A 120 29.638 13.810 -6.056 1.00 1.33 O ATOM 0 H GLU A 120 32.034 17.694 -7.528 1.00 0.31 H new ATOM 0 HA GLU A 120 30.865 16.660 -9.858 1.00 0.30 H new ATOM 0 HB2 GLU A 120 29.745 17.493 -7.154 1.00 0.34 H new ATOM 0 HB3 GLU A 120 28.710 16.793 -8.383 1.00 0.34 H new ATOM 0 HG2 GLU A 120 30.042 14.747 -8.465 1.00 0.35 H new ATOM 0 HG3 GLU A 120 31.314 15.461 -7.493 1.00 0.35 H new ATOM 1834 N VAL A 121 30.034 19.775 -9.256 1.00 0.32 N ATOM 1835 CA VAL A 121 29.363 20.954 -9.873 1.00 0.30 C ATOM 1836 C VAL A 121 30.128 21.366 -11.133 1.00 0.33 C ATOM 1837 O VAL A 121 29.550 21.793 -12.115 1.00 0.39 O ATOM 1838 CB VAL A 121 29.344 22.108 -8.863 1.00 0.27 C ATOM 1839 CG1 VAL A 121 28.930 23.407 -9.558 1.00 0.25 C ATOM 1840 CG2 VAL A 121 28.342 21.787 -7.752 1.00 0.25 C ATOM 0 H VAL A 121 30.558 19.971 -8.403 1.00 0.32 H new ATOM 0 HA VAL A 121 28.338 20.702 -10.146 1.00 0.30 H new ATOM 0 HB VAL A 121 30.341 22.232 -8.441 1.00 0.27 H new ATOM 0 HG11 VAL A 121 28.919 24.220 -8.833 1.00 0.25 H new ATOM 0 HG12 VAL A 121 29.641 23.638 -10.351 1.00 0.25 H new ATOM 0 HG13 VAL A 121 27.934 23.289 -9.986 1.00 0.25 H new ATOM 0 HG21 VAL A 121 28.324 22.604 -7.031 1.00 0.25 H new ATOM 0 HG22 VAL A 121 27.349 21.662 -8.183 1.00 0.25 H new ATOM 0 HG23 VAL A 121 28.638 20.866 -7.250 1.00 0.25 H new ATOM 1850 N ASP A 122 31.421 21.238 -11.108 1.00 0.30 N ATOM 1851 CA ASP A 122 32.233 21.616 -12.299 1.00 0.33 C ATOM 1852 C ASP A 122 31.790 20.783 -13.504 1.00 0.36 C ATOM 1853 O ASP A 122 31.790 21.249 -14.625 1.00 0.38 O ATOM 1854 CB ASP A 122 33.715 21.356 -12.014 1.00 0.35 C ATOM 1855 CG ASP A 122 34.190 22.290 -10.899 1.00 0.36 C ATOM 1856 OD1 ASP A 122 33.408 23.128 -10.480 1.00 0.95 O ATOM 1857 OD2 ASP A 122 35.331 22.154 -10.484 1.00 1.21 O ATOM 0 H ASP A 122 31.955 20.887 -10.313 1.00 0.30 H new ATOM 0 HA ASP A 122 32.087 22.674 -12.515 1.00 0.33 H new ATOM 0 HB2 ASP A 122 33.863 20.317 -11.721 1.00 0.35 H new ATOM 0 HB3 ASP A 122 34.304 21.520 -12.916 1.00 0.35 H new ATOM 1862 N GLU A 123 31.394 19.555 -13.282 1.00 0.36 N ATOM 1863 CA GLU A 123 30.931 18.708 -14.413 1.00 0.39 C ATOM 1864 C GLU A 123 29.538 19.207 -14.814 1.00 0.38 C ATOM 1865 O GLU A 123 29.193 19.272 -15.977 1.00 0.36 O ATOM 1866 CB GLU A 123 30.921 17.223 -13.951 1.00 0.45 C ATOM 1867 CG GLU A 123 29.559 16.555 -14.185 1.00 0.75 C ATOM 1868 CD GLU A 123 29.651 15.069 -13.830 1.00 1.03 C ATOM 1869 OE1 GLU A 123 30.565 14.711 -13.105 1.00 1.46 O ATOM 1870 OE2 GLU A 123 28.807 14.317 -14.287 1.00 1.76 O ATOM 0 H GLU A 123 31.373 19.106 -12.366 1.00 0.36 H new ATOM 0 HA GLU A 123 31.588 18.773 -15.280 1.00 0.39 H new ATOM 0 HB2 GLU A 123 31.692 16.671 -14.489 1.00 0.45 H new ATOM 0 HB3 GLU A 123 31.172 17.172 -12.892 1.00 0.45 H new ATOM 0 HG2 GLU A 123 28.795 17.039 -13.576 1.00 0.75 H new ATOM 0 HG3 GLU A 123 29.258 16.673 -15.226 1.00 0.75 H new ATOM 1877 N MET A 124 28.752 19.575 -13.844 1.00 0.39 N ATOM 1878 CA MET A 124 27.388 20.097 -14.132 1.00 0.39 C ATOM 1879 C MET A 124 27.515 21.419 -14.898 1.00 0.37 C ATOM 1880 O MET A 124 26.672 21.770 -15.700 1.00 0.37 O ATOM 1881 CB MET A 124 26.642 20.296 -12.818 1.00 0.40 C ATOM 1882 CG MET A 124 26.526 18.961 -12.059 1.00 0.49 C ATOM 1883 SD MET A 124 25.037 18.085 -12.603 1.00 1.97 S ATOM 1884 CE MET A 124 24.731 17.187 -11.060 1.00 1.35 C ATOM 0 H MET A 124 28.998 19.536 -12.855 1.00 0.39 H new ATOM 0 HA MET A 124 26.827 19.390 -14.744 1.00 0.39 H new ATOM 0 HB2 MET A 124 27.166 21.027 -12.202 1.00 0.40 H new ATOM 0 HB3 MET A 124 25.648 20.698 -13.014 1.00 0.40 H new ATOM 0 HG2 MET A 124 27.409 18.348 -12.242 1.00 0.49 H new ATOM 0 HG3 MET A 124 26.482 19.143 -10.985 1.00 0.49 H new ATOM 0 HE1 MET A 124 23.840 16.569 -11.169 1.00 1.35 H new ATOM 0 HE2 MET A 124 25.587 16.552 -10.833 1.00 1.35 H new ATOM 0 HE3 MET A 124 24.581 17.899 -10.248 1.00 1.35 H new ATOM 1894 N ILE A 125 28.577 22.146 -14.667 1.00 0.37 N ATOM 1895 CA ILE A 125 28.790 23.439 -15.387 1.00 0.36 C ATOM 1896 C ILE A 125 29.310 23.162 -16.811 1.00 0.40 C ATOM 1897 O ILE A 125 29.099 23.946 -17.717 1.00 0.40 O ATOM 1898 CB ILE A 125 29.814 24.271 -14.600 1.00 0.33 C ATOM 1899 CG1 ILE A 125 29.143 24.789 -13.320 1.00 0.28 C ATOM 1900 CG2 ILE A 125 30.295 25.452 -15.449 1.00 0.32 C ATOM 1901 CD1 ILE A 125 30.165 25.513 -12.436 1.00 0.28 C ATOM 0 H ILE A 125 29.312 21.898 -14.005 1.00 0.37 H new ATOM 0 HA ILE A 125 27.851 23.987 -15.463 1.00 0.36 H new ATOM 0 HB ILE A 125 30.675 23.653 -14.346 1.00 0.33 H new ATOM 0 HG12 ILE A 125 28.330 25.468 -13.577 1.00 0.28 H new ATOM 0 HG13 ILE A 125 28.702 23.957 -12.771 1.00 0.28 H new ATOM 0 HG21 ILE A 125 31.021 26.036 -14.882 1.00 0.32 H new ATOM 0 HG22 ILE A 125 30.762 25.079 -16.360 1.00 0.32 H new ATOM 0 HG23 ILE A 125 29.445 26.083 -15.709 1.00 0.32 H new ATOM 0 HD11 ILE A 125 29.674 25.874 -11.533 1.00 0.28 H new ATOM 0 HD12 ILE A 125 30.964 24.823 -12.163 1.00 0.28 H new ATOM 0 HD13 ILE A 125 30.585 26.357 -12.983 1.00 0.28 H new ATOM 1913 N ARG A 126 29.995 22.069 -17.012 1.00 0.45 N ATOM 1914 CA ARG A 126 30.533 21.758 -18.369 1.00 0.49 C ATOM 1915 C ARG A 126 29.384 21.629 -19.382 1.00 0.50 C ATOM 1916 O ARG A 126 29.413 22.233 -20.435 1.00 0.52 O ATOM 1917 CB ARG A 126 31.338 20.445 -18.314 1.00 0.53 C ATOM 1918 CG ARG A 126 32.794 20.736 -17.906 1.00 0.76 C ATOM 1919 CD ARG A 126 33.587 19.417 -17.761 1.00 1.13 C ATOM 1920 NE ARG A 126 34.451 19.475 -16.538 1.00 1.75 N ATOM 1921 CZ ARG A 126 35.190 20.524 -16.273 1.00 1.82 C ATOM 1922 NH1 ARG A 126 35.290 21.500 -17.130 1.00 1.58 N ATOM 1923 NH2 ARG A 126 35.863 20.574 -15.156 1.00 2.60 N ATOM 0 H ARG A 126 30.206 21.376 -16.294 1.00 0.45 H new ATOM 0 HA ARG A 126 31.187 22.570 -18.688 1.00 0.49 H new ATOM 0 HB2 ARG A 126 30.882 19.759 -17.600 1.00 0.53 H new ATOM 0 HB3 ARG A 126 31.316 19.954 -19.287 1.00 0.53 H new ATOM 0 HG2 ARG A 126 33.268 21.372 -18.654 1.00 0.76 H new ATOM 0 HG3 ARG A 126 32.812 21.284 -16.964 1.00 0.76 H new ATOM 0 HD2 ARG A 126 32.899 18.574 -17.692 1.00 1.13 H new ATOM 0 HD3 ARG A 126 34.203 19.254 -18.645 1.00 1.13 H new ATOM 0 HE ARG A 126 34.464 18.681 -15.898 1.00 1.75 H new ATOM 0 HH11 ARG A 126 34.790 21.452 -18.018 1.00 1.58 H new ATOM 0 HH12 ARG A 126 35.868 22.312 -16.913 1.00 1.58 H new ATOM 0 HH21 ARG A 126 35.812 19.799 -14.495 1.00 2.60 H new ATOM 0 HH22 ARG A 126 36.440 21.388 -14.944 1.00 2.60 H new ATOM 1937 N GLU A 127 28.384 20.838 -19.091 1.00 0.50 N ATOM 1938 CA GLU A 127 27.264 20.679 -20.074 1.00 0.51 C ATOM 1939 C GLU A 127 26.296 21.876 -19.987 1.00 0.49 C ATOM 1940 O GLU A 127 25.566 22.152 -20.920 1.00 0.51 O ATOM 1941 CB GLU A 127 26.505 19.370 -19.789 1.00 0.51 C ATOM 1942 CG GLU A 127 27.301 18.182 -20.339 1.00 0.59 C ATOM 1943 CD GLU A 127 26.543 16.884 -20.053 1.00 0.70 C ATOM 1944 OE1 GLU A 127 26.639 16.399 -18.938 1.00 1.81 O ATOM 1945 OE2 GLU A 127 25.878 16.399 -20.953 1.00 0.60 O ATOM 0 H GLU A 127 28.292 20.301 -18.229 1.00 0.50 H new ATOM 0 HA GLU A 127 27.682 20.643 -21.080 1.00 0.51 H new ATOM 0 HB2 GLU A 127 26.353 19.253 -18.716 1.00 0.51 H new ATOM 0 HB3 GLU A 127 25.518 19.403 -20.249 1.00 0.51 H new ATOM 0 HG2 GLU A 127 27.453 18.298 -21.412 1.00 0.59 H new ATOM 0 HG3 GLU A 127 28.289 18.148 -19.879 1.00 0.59 H new ATOM 1952 N ALA A 128 26.308 22.611 -18.904 1.00 0.44 N ATOM 1953 CA ALA A 128 25.435 23.800 -18.785 1.00 0.42 C ATOM 1954 C ALA A 128 26.223 24.986 -19.298 1.00 0.42 C ATOM 1955 O ALA A 128 26.744 25.750 -18.522 1.00 0.37 O ATOM 1956 CB ALA A 128 25.065 24.055 -17.331 1.00 0.36 C ATOM 0 H ALA A 128 26.896 22.429 -18.091 1.00 0.44 H new ATOM 0 HA ALA A 128 24.517 23.644 -19.352 1.00 0.42 H new ATOM 0 HB1 ALA A 128 24.423 24.934 -17.268 1.00 0.36 H new ATOM 0 HB2 ALA A 128 24.536 23.189 -16.933 1.00 0.36 H new ATOM 0 HB3 ALA A 128 25.971 24.225 -16.749 1.00 0.36 H new ATOM 1962 N ASP A 129 26.328 25.109 -20.581 1.00 0.48 N ATOM 1963 CA ASP A 129 27.109 26.228 -21.203 1.00 0.48 C ATOM 1964 C ASP A 129 26.871 27.516 -20.407 1.00 0.41 C ATOM 1965 O ASP A 129 26.017 28.323 -20.712 1.00 0.39 O ATOM 1966 CB ASP A 129 26.646 26.408 -22.657 1.00 0.54 C ATOM 1967 CG ASP A 129 26.262 25.046 -23.241 1.00 1.04 C ATOM 1968 OD1 ASP A 129 27.145 24.365 -23.736 1.00 2.13 O ATOM 1969 OD2 ASP A 129 25.092 24.707 -23.185 1.00 1.38 O ATOM 0 H ASP A 129 25.899 24.471 -21.251 1.00 0.48 H new ATOM 0 HA ASP A 129 28.174 25.998 -21.190 1.00 0.48 H new ATOM 0 HB2 ASP A 129 25.794 27.087 -22.698 1.00 0.54 H new ATOM 0 HB3 ASP A 129 27.441 26.859 -23.250 1.00 0.54 H new ATOM 1974 N ILE A 130 27.603 27.648 -19.344 1.00 0.37 N ATOM 1975 CA ILE A 130 27.452 28.799 -18.415 1.00 0.29 C ATOM 1976 C ILE A 130 28.207 30.033 -18.909 1.00 0.29 C ATOM 1977 O ILE A 130 28.215 31.075 -18.287 1.00 0.38 O ATOM 1978 CB ILE A 130 27.985 28.311 -17.053 1.00 0.29 C ATOM 1979 CG1 ILE A 130 26.889 27.453 -16.305 1.00 0.26 C ATOM 1980 CG2 ILE A 130 28.509 29.478 -16.214 1.00 0.32 C ATOM 1981 CD1 ILE A 130 26.687 27.905 -14.844 1.00 0.23 C ATOM 0 H ILE A 130 28.326 26.983 -19.070 1.00 0.37 H new ATOM 0 HA ILE A 130 26.411 29.113 -18.343 1.00 0.29 H new ATOM 0 HB ILE A 130 28.838 27.654 -17.223 1.00 0.29 H new ATOM 0 HG12 ILE A 130 25.943 27.530 -16.841 1.00 0.26 H new ATOM 0 HG13 ILE A 130 27.180 26.403 -16.321 1.00 0.26 H new ATOM 0 HG21 ILE A 130 28.878 29.103 -15.259 1.00 0.32 H new ATOM 0 HG22 ILE A 130 29.320 29.974 -16.747 1.00 0.32 H new ATOM 0 HG23 ILE A 130 27.703 30.190 -16.037 1.00 0.32 H new ATOM 0 HD11 ILE A 130 25.924 27.285 -14.373 1.00 0.23 H new ATOM 0 HD12 ILE A 130 27.625 27.803 -14.298 1.00 0.23 H new ATOM 0 HD13 ILE A 130 26.369 28.947 -14.826 1.00 0.23 H new ATOM 2024 N GLY A 134 26.343 34.673 -19.866 1.00 0.25 N ATOM 2025 CA GLY A 134 26.705 35.295 -18.556 1.00 0.24 C ATOM 2026 C GLY A 134 25.699 34.845 -17.499 1.00 0.23 C ATOM 2027 O GLY A 134 26.023 34.702 -16.336 1.00 0.24 O ATOM 0 HA2 GLY A 134 27.714 35.001 -18.265 1.00 0.24 H new ATOM 0 HA3 GLY A 134 26.701 36.382 -18.641 1.00 0.24 H new ATOM 2031 N GLN A 135 24.481 34.602 -17.907 1.00 0.26 N ATOM 2032 CA GLN A 135 23.421 34.133 -16.964 1.00 0.30 C ATOM 2033 C GLN A 135 22.901 32.793 -17.474 1.00 0.40 C ATOM 2034 O GLN A 135 23.163 32.416 -18.599 1.00 0.60 O ATOM 2035 CB GLN A 135 22.279 35.152 -16.924 1.00 0.35 C ATOM 2036 CG GLN A 135 22.854 36.569 -16.774 1.00 0.20 C ATOM 2037 CD GLN A 135 21.800 37.500 -16.167 1.00 0.08 C ATOM 2038 OE1 GLN A 135 21.750 37.681 -14.967 1.00 0.58 O ATOM 2039 NE2 GLN A 135 20.949 38.103 -16.951 1.00 0.78 N ATOM 0 H GLN A 135 24.170 34.711 -18.872 1.00 0.26 H new ATOM 0 HA GLN A 135 23.825 34.025 -15.958 1.00 0.30 H new ATOM 0 HB2 GLN A 135 21.686 35.084 -17.836 1.00 0.35 H new ATOM 0 HB3 GLN A 135 21.610 34.931 -16.092 1.00 0.35 H new ATOM 0 HG2 GLN A 135 23.740 36.546 -16.139 1.00 0.20 H new ATOM 0 HG3 GLN A 135 23.169 36.948 -17.746 1.00 0.20 H new ATOM 0 HE21 GLN A 135 20.989 37.953 -17.959 1.00 0.78 H new ATOM 0 HE22 GLN A 135 20.244 38.725 -16.556 1.00 0.78 H new ATOM 2048 N VAL A 136 22.190 32.053 -16.665 1.00 0.36 N ATOM 2049 CA VAL A 136 21.690 30.729 -17.122 1.00 0.44 C ATOM 2050 C VAL A 136 20.318 30.485 -16.503 1.00 0.59 C ATOM 2051 O VAL A 136 20.022 30.958 -15.418 1.00 0.64 O ATOM 2052 CB VAL A 136 22.669 29.652 -16.631 1.00 0.26 C ATOM 2053 CG1 VAL A 136 22.589 28.377 -17.490 1.00 0.38 C ATOM 2054 CG2 VAL A 136 24.098 30.195 -16.684 1.00 0.19 C ATOM 0 H VAL A 136 21.936 32.309 -15.711 1.00 0.36 H new ATOM 0 HA VAL A 136 21.612 30.698 -18.209 1.00 0.44 H new ATOM 0 HB VAL A 136 22.394 29.396 -15.608 1.00 0.26 H new ATOM 0 HG11 VAL A 136 23.296 27.639 -17.112 1.00 0.38 H new ATOM 0 HG12 VAL A 136 21.579 27.970 -17.443 1.00 0.38 H new ATOM 0 HG13 VAL A 136 22.835 28.619 -18.524 1.00 0.38 H new ATOM 0 HG21 VAL A 136 24.791 29.430 -16.335 1.00 0.19 H new ATOM 0 HG22 VAL A 136 24.345 30.469 -17.710 1.00 0.19 H new ATOM 0 HG23 VAL A 136 24.177 31.074 -16.045 1.00 0.19 H new ATOM 2064 N ASN A 137 19.487 29.727 -17.159 1.00 0.71 N ATOM 2065 CA ASN A 137 18.154 29.429 -16.573 1.00 0.84 C ATOM 2066 C ASN A 137 18.297 28.203 -15.688 1.00 0.82 C ATOM 2067 O ASN A 137 18.247 27.073 -16.135 1.00 1.34 O ATOM 2068 CB ASN A 137 17.096 29.160 -17.656 1.00 0.95 C ATOM 2069 CG ASN A 137 15.693 29.314 -17.058 1.00 1.18 C ATOM 2070 OD1 ASN A 137 14.812 28.529 -17.343 1.00 1.91 O ATOM 2071 ND2 ASN A 137 15.445 30.301 -16.243 1.00 1.93 N ATOM 0 H ASN A 137 19.671 29.304 -18.069 1.00 0.71 H new ATOM 0 HA ASN A 137 17.818 30.295 -16.002 1.00 0.84 H new ATOM 0 HB2 ASN A 137 17.226 29.855 -18.486 1.00 0.95 H new ATOM 0 HB3 ASN A 137 17.222 28.155 -18.059 1.00 0.95 H new ATOM 0 HD21 ASN A 137 14.512 30.413 -15.846 1.00 1.93 H new ATOM 0 HD22 ASN A 137 16.184 30.962 -16.002 1.00 1.93 H new ATOM 2078 N TYR A 138 18.471 28.439 -14.431 1.00 0.88 N ATOM 2079 CA TYR A 138 18.618 27.339 -13.444 1.00 0.78 C ATOM 2080 C TYR A 138 17.693 26.141 -13.738 1.00 0.72 C ATOM 2081 O TYR A 138 17.927 25.064 -13.236 1.00 0.54 O ATOM 2082 CB TYR A 138 18.268 27.893 -12.069 1.00 0.82 C ATOM 2083 CG TYR A 138 16.808 28.350 -11.967 1.00 0.59 C ATOM 2084 CD1 TYR A 138 16.012 28.690 -13.086 1.00 1.65 C ATOM 2085 CD2 TYR A 138 16.268 28.482 -10.695 1.00 0.71 C ATOM 2086 CE1 TYR A 138 14.718 29.145 -12.919 1.00 1.67 C ATOM 2087 CE2 TYR A 138 14.954 28.937 -10.520 1.00 0.86 C ATOM 2088 CZ TYR A 138 14.176 29.273 -11.635 1.00 0.80 C ATOM 2089 OH TYR A 138 12.884 29.729 -11.468 1.00 1.11 O ATOM 0 H TYR A 138 18.520 29.375 -14.029 1.00 0.88 H new ATOM 0 HA TYR A 138 19.645 26.977 -13.496 1.00 0.78 H new ATOM 0 HB2 TYR A 138 18.458 27.129 -11.315 1.00 0.82 H new ATOM 0 HB3 TYR A 138 18.924 28.734 -11.843 1.00 0.82 H new ATOM 0 HD1 TYR A 138 16.420 28.593 -14.081 1.00 1.65 H new ATOM 0 HD2 TYR A 138 16.866 28.232 -9.832 1.00 0.71 H new ATOM 0 HE1 TYR A 138 14.123 29.403 -13.782 1.00 1.67 H new ATOM 0 HE2 TYR A 138 14.542 29.028 -9.526 1.00 0.86 H new ATOM 0 HH TYR A 138 12.488 29.918 -12.344 1.00 1.11 H new ATOM 2099 N GLU A 139 16.651 26.305 -14.506 1.00 0.89 N ATOM 2100 CA GLU A 139 15.734 25.150 -14.776 1.00 0.84 C ATOM 2101 C GLU A 139 16.556 23.890 -15.097 1.00 0.65 C ATOM 2102 O GLU A 139 16.274 22.817 -14.604 1.00 0.55 O ATOM 2103 CB GLU A 139 14.795 25.500 -15.960 1.00 1.00 C ATOM 2104 CG GLU A 139 13.367 25.778 -15.458 1.00 0.75 C ATOM 2105 CD GLU A 139 12.444 26.019 -16.653 1.00 1.27 C ATOM 2106 OE1 GLU A 139 12.864 26.696 -17.578 1.00 1.92 O ATOM 2107 OE2 GLU A 139 11.329 25.524 -16.624 1.00 1.45 O ATOM 0 H GLU A 139 16.392 27.182 -14.958 1.00 0.89 H new ATOM 0 HA GLU A 139 15.130 24.952 -13.891 1.00 0.84 H new ATOM 0 HB2 GLU A 139 15.177 26.374 -16.487 1.00 1.00 H new ATOM 0 HB3 GLU A 139 14.781 24.677 -16.675 1.00 1.00 H new ATOM 0 HG2 GLU A 139 13.006 24.934 -14.871 1.00 0.75 H new ATOM 0 HG3 GLU A 139 13.364 26.648 -14.801 1.00 0.75 H new ATOM 2114 N GLU A 140 17.565 24.012 -15.912 1.00 0.65 N ATOM 2115 CA GLU A 140 18.388 22.816 -16.252 1.00 0.55 C ATOM 2116 C GLU A 140 19.203 22.391 -15.024 1.00 0.41 C ATOM 2117 O GLU A 140 19.400 21.219 -14.774 1.00 0.38 O ATOM 2118 CB GLU A 140 19.337 23.159 -17.406 1.00 0.69 C ATOM 2119 CG GLU A 140 18.560 23.162 -18.729 1.00 0.52 C ATOM 2120 CD GLU A 140 18.293 21.721 -19.170 1.00 1.27 C ATOM 2121 OE1 GLU A 140 19.244 20.960 -19.242 1.00 2.07 O ATOM 2122 OE2 GLU A 140 17.145 21.406 -19.429 1.00 2.09 O ATOM 0 H GLU A 140 17.856 24.883 -16.356 1.00 0.65 H new ATOM 0 HA GLU A 140 17.734 21.998 -16.553 1.00 0.55 H new ATOM 0 HB2 GLU A 140 19.792 24.135 -17.238 1.00 0.69 H new ATOM 0 HB3 GLU A 140 20.148 22.433 -17.451 1.00 0.69 H new ATOM 0 HG2 GLU A 140 17.618 23.697 -18.608 1.00 0.52 H new ATOM 0 HG3 GLU A 140 19.129 23.688 -19.495 1.00 0.52 H new ATOM 2129 N PHE A 141 19.687 23.334 -14.263 1.00 0.35 N ATOM 2130 CA PHE A 141 20.501 22.982 -13.059 1.00 0.27 C ATOM 2131 C PHE A 141 19.582 22.481 -11.926 1.00 0.34 C ATOM 2132 O PHE A 141 20.015 21.764 -11.043 1.00 0.44 O ATOM 2133 CB PHE A 141 21.291 24.236 -12.588 1.00 0.30 C ATOM 2134 CG PHE A 141 22.768 24.101 -12.905 1.00 0.28 C ATOM 2135 CD1 PHE A 141 23.564 23.245 -12.138 1.00 0.28 C ATOM 2136 CD2 PHE A 141 23.348 24.844 -13.948 1.00 0.32 C ATOM 2137 CE1 PHE A 141 24.930 23.127 -12.413 1.00 0.29 C ATOM 2138 CE2 PHE A 141 24.721 24.721 -14.215 1.00 0.31 C ATOM 2139 CZ PHE A 141 25.502 23.866 -13.448 1.00 0.28 C ATOM 0 H PHE A 141 19.556 24.333 -14.421 1.00 0.35 H new ATOM 0 HA PHE A 141 21.201 22.188 -13.316 1.00 0.27 H new ATOM 0 HB2 PHE A 141 20.891 25.126 -13.075 1.00 0.30 H new ATOM 0 HB3 PHE A 141 21.157 24.372 -11.515 1.00 0.30 H new ATOM 0 HD1 PHE A 141 23.124 22.675 -11.333 1.00 0.28 H new ATOM 0 HD2 PHE A 141 22.739 25.508 -14.543 1.00 0.32 H new ATOM 0 HE1 PHE A 141 25.543 22.462 -11.823 1.00 0.29 H new ATOM 0 HE2 PHE A 141 25.169 25.290 -15.016 1.00 0.31 H new ATOM 0 HZ PHE A 141 26.558 23.773 -13.654 1.00 0.28 H new ATOM 2149 N VAL A 142 18.328 22.854 -11.928 1.00 0.43 N ATOM 2150 CA VAL A 142 17.414 22.399 -10.839 1.00 0.61 C ATOM 2151 C VAL A 142 17.005 20.941 -11.079 1.00 0.71 C ATOM 2152 O VAL A 142 17.033 20.127 -10.177 1.00 0.81 O ATOM 2153 CB VAL A 142 16.165 23.291 -10.823 1.00 0.88 C ATOM 2154 CG1 VAL A 142 15.115 22.705 -9.871 1.00 1.06 C ATOM 2155 CG2 VAL A 142 16.553 24.693 -10.347 1.00 0.88 C ATOM 0 H VAL A 142 17.899 23.452 -12.634 1.00 0.43 H new ATOM 0 HA VAL A 142 17.927 22.470 -9.880 1.00 0.61 H new ATOM 0 HB VAL A 142 15.747 23.343 -11.829 1.00 0.88 H new ATOM 0 HG11 VAL A 142 14.232 23.344 -9.865 1.00 1.06 H new ATOM 0 HG12 VAL A 142 14.838 21.706 -10.206 1.00 1.06 H new ATOM 0 HG13 VAL A 142 15.528 22.648 -8.864 1.00 1.06 H new ATOM 0 HG21 VAL A 142 15.669 25.330 -10.334 1.00 0.88 H new ATOM 0 HG22 VAL A 142 16.972 24.633 -9.343 1.00 0.88 H new ATOM 0 HG23 VAL A 142 17.295 25.115 -11.025 1.00 0.88 H new ATOM 2165 N GLN A 143 16.618 20.607 -12.279 1.00 0.74 N ATOM 2166 CA GLN A 143 16.200 19.204 -12.566 1.00 0.91 C ATOM 2167 C GLN A 143 17.433 18.302 -12.635 1.00 0.87 C ATOM 2168 O GLN A 143 17.341 17.096 -12.507 1.00 1.00 O ATOM 2169 CB GLN A 143 15.463 19.155 -13.908 1.00 1.06 C ATOM 2170 CG GLN A 143 14.214 20.039 -13.844 1.00 1.24 C ATOM 2171 CD GLN A 143 13.712 20.319 -15.262 1.00 1.70 C ATOM 2172 OE1 GLN A 143 14.492 20.589 -16.152 1.00 2.45 O ATOM 2173 NE2 GLN A 143 12.432 20.264 -15.511 1.00 1.74 N ATOM 0 H GLN A 143 16.573 21.244 -13.074 1.00 0.74 H new ATOM 0 HA GLN A 143 15.540 18.857 -11.771 1.00 0.91 H new ATOM 0 HB2 GLN A 143 16.121 19.496 -14.708 1.00 1.06 H new ATOM 0 HB3 GLN A 143 15.182 18.128 -14.142 1.00 1.06 H new ATOM 0 HG2 GLN A 143 13.436 19.545 -13.262 1.00 1.24 H new ATOM 0 HG3 GLN A 143 14.445 20.976 -13.337 1.00 1.24 H new ATOM 0 HE21 GLN A 143 11.776 20.037 -14.763 1.00 1.74 H new ATOM 0 HE22 GLN A 143 12.087 20.448 -16.453 1.00 1.74 H new ATOM 2182 N MET A 144 18.587 18.871 -12.847 1.00 0.72 N ATOM 2183 CA MET A 144 19.820 18.037 -12.933 1.00 0.77 C ATOM 2184 C MET A 144 20.245 17.577 -11.533 1.00 0.72 C ATOM 2185 O MET A 144 20.724 16.474 -11.355 1.00 0.82 O ATOM 2186 CB MET A 144 20.950 18.857 -13.577 1.00 0.70 C ATOM 2187 CG MET A 144 20.805 18.835 -15.104 1.00 0.85 C ATOM 2188 SD MET A 144 21.808 20.162 -15.822 1.00 0.87 S ATOM 2189 CE MET A 144 23.424 19.385 -15.578 1.00 1.67 C ATOM 0 H MET A 144 18.730 19.874 -12.964 1.00 0.72 H new ATOM 0 HA MET A 144 19.615 17.158 -13.544 1.00 0.77 H new ATOM 0 HB2 MET A 144 20.918 19.884 -13.215 1.00 0.70 H new ATOM 0 HB3 MET A 144 21.918 18.448 -13.289 1.00 0.70 H new ATOM 0 HG2 MET A 144 21.124 17.870 -15.497 1.00 0.85 H new ATOM 0 HG3 MET A 144 19.759 18.963 -15.383 1.00 0.85 H new ATOM 0 HE1 MET A 144 23.916 19.832 -14.714 1.00 1.67 H new ATOM 0 HE2 MET A 144 23.292 18.317 -15.407 1.00 1.67 H new ATOM 0 HE3 MET A 144 24.039 19.537 -16.465 1.00 1.67 H new ATOM 2199 N MET A 145 20.081 18.407 -10.541 1.00 0.57 N ATOM 2200 CA MET A 145 20.487 18.001 -9.163 1.00 0.52 C ATOM 2201 C MET A 145 19.549 16.905 -8.646 1.00 0.62 C ATOM 2202 O MET A 145 19.896 16.151 -7.758 1.00 0.64 O ATOM 2203 CB MET A 145 20.425 19.220 -8.228 1.00 0.32 C ATOM 2204 CG MET A 145 21.528 20.248 -8.590 1.00 0.28 C ATOM 2205 SD MET A 145 22.495 20.677 -7.114 1.00 0.40 S ATOM 2206 CE MET A 145 21.222 21.628 -6.246 1.00 0.30 C ATOM 0 H MET A 145 19.686 19.344 -10.622 1.00 0.57 H new ATOM 0 HA MET A 145 21.506 17.616 -9.188 1.00 0.52 H new ATOM 0 HB2 MET A 145 19.445 19.691 -8.301 1.00 0.32 H new ATOM 0 HB3 MET A 145 20.547 18.898 -7.194 1.00 0.32 H new ATOM 0 HG2 MET A 145 22.184 19.834 -9.356 1.00 0.28 H new ATOM 0 HG3 MET A 145 21.075 21.146 -9.010 1.00 0.28 H new ATOM 0 HE1 MET A 145 21.696 22.323 -5.553 1.00 0.30 H new ATOM 0 HE2 MET A 145 20.628 22.186 -6.970 1.00 0.30 H new ATOM 0 HE3 MET A 145 20.574 20.948 -5.692 1.00 0.30 H new ATOM 2216 N THR A 146 18.366 16.810 -9.190 1.00 0.72 N ATOM 2217 CA THR A 146 17.413 15.777 -8.735 1.00 0.85 C ATOM 2218 C THR A 146 17.763 14.438 -9.384 1.00 0.99 C ATOM 2219 O THR A 146 18.162 13.494 -8.732 1.00 0.71 O ATOM 2220 CB THR A 146 16.005 16.241 -9.162 1.00 0.94 C ATOM 2221 OG1 THR A 146 16.136 17.389 -9.988 1.00 0.99 O ATOM 2222 CG2 THR A 146 15.166 16.605 -7.935 1.00 0.87 C ATOM 0 H THR A 146 18.023 17.413 -9.937 1.00 0.72 H new ATOM 0 HA THR A 146 17.454 15.644 -7.654 1.00 0.85 H new ATOM 0 HB THR A 146 15.510 15.433 -9.701 1.00 0.94 H new ATOM 0 HG1 THR A 146 15.431 18.033 -9.767 1.00 0.99 H new ATOM 0 HG21 THR A 146 14.176 16.930 -8.255 1.00 0.87 H new ATOM 0 HG22 THR A 146 15.070 15.733 -7.288 1.00 0.87 H new ATOM 0 HG23 THR A 146 15.653 17.411 -7.387 1.00 0.87 H new