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 HE2:sc= -0.892 K(o=-2,f=-5.7!) USER MOD Set 1.2: A 111 ASN : amide:sc= -1.06 K(o=-2,f=-11!) USER MOD Single : A 8 GLN : amide:sc= -0.0445 K(o=-0.044,f=-1.8!) 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= 0.0667 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0.00831 USER MOD Single : A 36 MET CE :methyl 167:sc= 0 (180deg=-0.289) USER MOD Single : A 38 SER OG : rot -54:sc= 1.09 USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 ASN : amide:sc= -0.356 K(o=-0.36,f=-2.2) USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.5 USER MOD Single : A 49 GLN : amide:sc=-0.00089 K(o=-0.00089,f=-0.67) 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 -135:sc= -0.0017 (180deg=-0.718) USER MOD Single : A 72 MET CE :methyl -157:sc= -0.14 (180deg=-1.5) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot -69:sc= 0.0655 USER MOD Single : A 109 MET CE :methyl 176:sc= -2.73 (180deg=-2.81) USER MOD Single : A 110 THR OG1 : rot -63:sc= -0.604! USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 THR OG1 : rot 133:sc= -1.08 USER MOD Single : A 124 MET CE :methyl 180:sc= -0.0733 (180deg=-0.0733) USER MOD Single : A 135 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 137 ASN : amide:sc= -3.7! K(o=-3.7!,f=-0.27) USER MOD Single : A 138 TYR OH : rot 180:sc= 0 USER MOD Single : A 143 GLN : amide:sc= -0.225 X(o=-0.22,f=-0.22) USER MOD Single : A 144 MET CE :methyl -150:sc= 0 (180deg=-0.164) USER MOD Single : A 145 MET CE :methyl -147:sc= -0.559 (180deg=-2.63) USER MOD Single : A 146 THR OG1 : rot 92:sc= 0.134 USER MOD ----------------------------------------------------------------- ATOM 105 N GLN A 8 13.688 2.233 -3.052 1.00 0.40 N ATOM 106 CA GLN A 8 12.328 2.515 -2.512 1.00 0.38 C ATOM 107 C GLN A 8 11.337 1.500 -3.087 1.00 0.29 C ATOM 108 O GLN A 8 10.447 1.036 -2.403 1.00 0.26 O ATOM 109 CB GLN A 8 11.904 3.938 -2.900 1.00 0.43 C ATOM 110 CG GLN A 8 12.587 4.953 -1.975 1.00 0.61 C ATOM 111 CD GLN A 8 12.541 6.347 -2.609 1.00 0.44 C ATOM 112 OE1 GLN A 8 11.955 6.530 -3.657 1.00 0.65 O ATOM 113 NE2 GLN A 8 13.140 7.342 -2.015 1.00 0.23 N ATOM 0 HA GLN A 8 12.340 2.433 -1.425 1.00 0.38 H new ATOM 0 HB2 GLN A 8 12.174 4.138 -3.937 1.00 0.43 H new ATOM 0 HB3 GLN A 8 10.821 4.037 -2.828 1.00 0.43 H new ATOM 0 HG2 GLN A 8 12.089 4.968 -1.006 1.00 0.61 H new ATOM 0 HG3 GLN A 8 13.621 4.658 -1.797 1.00 0.61 H new ATOM 0 HE21 GLN A 8 13.632 7.189 -1.135 1.00 0.23 H new ATOM 0 HE22 GLN A 8 13.116 8.273 -2.431 1.00 0.23 H new ATOM 122 N ILE A 9 11.487 1.142 -4.334 1.00 0.27 N ATOM 123 CA ILE A 9 10.553 0.148 -4.934 1.00 0.18 C ATOM 124 C ILE A 9 10.768 -1.205 -4.254 1.00 0.17 C ATOM 125 O ILE A 9 9.844 -1.975 -4.076 1.00 0.13 O ATOM 126 CB ILE A 9 10.828 0.022 -6.439 1.00 0.16 C ATOM 127 CG1 ILE A 9 10.387 1.310 -7.140 1.00 0.18 C ATOM 128 CG2 ILE A 9 10.044 -1.165 -7.014 1.00 0.10 C ATOM 129 CD1 ILE A 9 10.863 1.292 -8.595 1.00 0.18 C ATOM 0 H ILE A 9 12.212 1.493 -4.960 1.00 0.27 H new ATOM 0 HA ILE A 9 9.523 0.474 -4.789 1.00 0.18 H new ATOM 0 HB ILE A 9 11.894 -0.141 -6.600 1.00 0.16 H new ATOM 0 HG12 ILE A 9 9.302 1.403 -7.103 1.00 0.18 H new ATOM 0 HG13 ILE A 9 10.799 2.177 -6.623 1.00 0.18 H new ATOM 0 HG21 ILE A 9 10.243 -1.249 -8.082 1.00 0.10 H new ATOM 0 HG22 ILE A 9 10.354 -2.082 -6.514 1.00 0.10 H new ATOM 0 HG23 ILE A 9 8.977 -1.008 -6.855 1.00 0.10 H new ATOM 0 HD11 ILE A 9 10.548 2.209 -9.092 1.00 0.18 H new ATOM 0 HD12 ILE A 9 11.950 1.220 -8.621 1.00 0.18 H new ATOM 0 HD13 ILE A 9 10.430 0.434 -9.109 1.00 0.18 H new ATOM 141 N ALA A 10 11.980 -1.501 -3.871 1.00 0.26 N ATOM 142 CA ALA A 10 12.246 -2.802 -3.204 1.00 0.26 C ATOM 143 C ALA A 10 11.706 -2.757 -1.770 1.00 0.28 C ATOM 144 O ALA A 10 11.013 -3.655 -1.338 1.00 0.39 O ATOM 145 CB ALA A 10 13.764 -3.083 -3.207 1.00 0.31 C ATOM 0 H ALA A 10 12.794 -0.898 -3.992 1.00 0.26 H new ATOM 0 HA ALA A 10 11.744 -3.605 -3.743 1.00 0.26 H new ATOM 0 HB1 ALA A 10 13.958 -4.037 -2.718 1.00 0.31 H new ATOM 0 HB2 ALA A 10 14.125 -3.122 -4.235 1.00 0.31 H new ATOM 0 HB3 ALA A 10 14.282 -2.288 -2.671 1.00 0.31 H new ATOM 151 N GLU A 11 12.003 -1.721 -1.028 1.00 0.25 N ATOM 152 CA GLU A 11 11.495 -1.637 0.369 1.00 0.27 C ATOM 153 C GLU A 11 9.990 -1.914 0.379 1.00 0.22 C ATOM 154 O GLU A 11 9.496 -2.692 1.173 1.00 0.22 O ATOM 155 CB GLU A 11 11.790 -0.217 0.918 1.00 0.35 C ATOM 156 CG GLU A 11 12.598 -0.303 2.214 1.00 0.59 C ATOM 157 CD GLU A 11 12.987 1.104 2.668 1.00 0.58 C ATOM 158 OE1 GLU A 11 13.215 1.940 1.809 1.00 1.41 O ATOM 159 OE2 GLU A 11 13.050 1.324 3.867 1.00 1.31 O ATOM 0 H GLU A 11 12.574 -0.932 -1.331 1.00 0.25 H new ATOM 0 HA GLU A 11 11.988 -2.377 0.999 1.00 0.27 H new ATOM 0 HB2 GLU A 11 12.342 0.359 0.176 1.00 0.35 H new ATOM 0 HB3 GLU A 11 10.854 0.311 1.100 1.00 0.35 H new ATOM 0 HG2 GLU A 11 12.011 -0.797 2.988 1.00 0.59 H new ATOM 0 HG3 GLU A 11 13.492 -0.906 2.058 1.00 0.59 H new ATOM 166 N PHE A 12 9.257 -1.286 -0.494 1.00 0.20 N ATOM 167 CA PHE A 12 7.789 -1.519 -0.525 1.00 0.18 C ATOM 168 C PHE A 12 7.516 -2.954 -0.969 1.00 0.12 C ATOM 169 O PHE A 12 6.551 -3.563 -0.555 1.00 0.14 O ATOM 170 CB PHE A 12 7.129 -0.561 -1.523 1.00 0.16 C ATOM 171 CG PHE A 12 7.505 0.896 -1.276 1.00 0.26 C ATOM 172 CD1 PHE A 12 7.987 1.352 -0.027 1.00 0.39 C ATOM 173 CD2 PHE A 12 7.340 1.814 -2.325 1.00 0.48 C ATOM 174 CE1 PHE A 12 8.292 2.707 0.149 1.00 0.46 C ATOM 175 CE2 PHE A 12 7.652 3.164 -2.141 1.00 0.56 C ATOM 176 CZ PHE A 12 8.126 3.611 -0.906 1.00 0.46 C ATOM 0 H PHE A 12 9.609 -0.624 -1.185 1.00 0.20 H new ATOM 0 HA PHE A 12 7.380 -1.348 0.471 1.00 0.18 H new ATOM 0 HB2 PHE A 12 7.420 -0.840 -2.536 1.00 0.16 H new ATOM 0 HB3 PHE A 12 6.046 -0.668 -1.461 1.00 0.16 H new ATOM 0 HD1 PHE A 12 8.119 0.657 0.789 1.00 0.39 H new ATOM 0 HD2 PHE A 12 6.969 1.475 -3.281 1.00 0.48 H new ATOM 0 HE1 PHE A 12 8.657 3.056 1.104 1.00 0.46 H new ATOM 0 HE2 PHE A 12 7.526 3.862 -2.955 1.00 0.56 H new ATOM 0 HZ PHE A 12 8.365 4.655 -0.765 1.00 0.46 H new ATOM 186 N LYS A 13 8.346 -3.503 -1.809 1.00 0.09 N ATOM 187 CA LYS A 13 8.104 -4.898 -2.266 1.00 0.05 C ATOM 188 C LYS A 13 8.257 -5.860 -1.087 1.00 0.03 C ATOM 189 O LYS A 13 7.460 -6.760 -0.910 1.00 0.06 O ATOM 190 CB LYS A 13 9.099 -5.270 -3.372 1.00 0.05 C ATOM 191 CG LYS A 13 8.922 -6.759 -3.763 1.00 0.07 C ATOM 192 CD LYS A 13 9.126 -6.943 -5.279 1.00 0.04 C ATOM 193 CE LYS A 13 7.822 -6.632 -6.025 1.00 0.16 C ATOM 194 NZ LYS A 13 8.112 -6.440 -7.474 1.00 0.67 N ATOM 0 H LYS A 13 9.174 -3.051 -2.196 1.00 0.09 H new ATOM 0 HA LYS A 13 7.091 -4.971 -2.662 1.00 0.05 H new ATOM 0 HB2 LYS A 13 8.941 -4.635 -4.244 1.00 0.05 H new ATOM 0 HB3 LYS A 13 10.119 -5.094 -3.030 1.00 0.05 H new ATOM 0 HG2 LYS A 13 9.638 -7.373 -3.216 1.00 0.07 H new ATOM 0 HG3 LYS A 13 7.927 -7.100 -3.479 1.00 0.07 H new ATOM 0 HD2 LYS A 13 9.921 -6.285 -5.630 1.00 0.04 H new ATOM 0 HD3 LYS A 13 9.441 -7.965 -5.491 1.00 0.04 H new ATOM 0 HE2 LYS A 13 7.110 -7.447 -5.890 1.00 0.16 H new ATOM 0 HE3 LYS A 13 7.360 -5.734 -5.614 1.00 0.16 H new ATOM 0 HZ1 LYS A 13 7.228 -6.229 -7.980 1.00 0.67 H new ATOM 0 HZ2 LYS A 13 8.776 -5.649 -7.593 1.00 0.67 H new ATOM 0 HZ3 LYS A 13 8.534 -7.308 -7.862 1.00 0.67 H new ATOM 208 N GLU A 14 9.262 -5.685 -0.268 1.00 0.05 N ATOM 209 CA GLU A 14 9.420 -6.608 0.890 1.00 0.05 C ATOM 210 C GLU A 14 8.258 -6.388 1.858 1.00 0.06 C ATOM 211 O GLU A 14 7.695 -7.320 2.399 1.00 0.13 O ATOM 212 CB GLU A 14 10.752 -6.336 1.608 1.00 0.08 C ATOM 213 CG GLU A 14 11.859 -6.050 0.579 1.00 0.14 C ATOM 214 CD GLU A 14 13.226 -6.419 1.160 1.00 0.55 C ATOM 215 OE1 GLU A 14 13.443 -7.594 1.411 1.00 0.58 O ATOM 216 OE2 GLU A 14 14.033 -5.522 1.344 1.00 1.74 O ATOM 0 H GLU A 14 9.969 -4.954 -0.350 1.00 0.05 H new ATOM 0 HA GLU A 14 9.420 -7.639 0.536 1.00 0.05 H new ATOM 0 HB2 GLU A 14 10.644 -5.487 2.282 1.00 0.08 H new ATOM 0 HB3 GLU A 14 11.027 -7.196 2.219 1.00 0.08 H new ATOM 0 HG2 GLU A 14 11.676 -6.621 -0.331 1.00 0.14 H new ATOM 0 HG3 GLU A 14 11.845 -4.996 0.302 1.00 0.14 H new ATOM 223 N ALA A 15 7.901 -5.156 2.075 1.00 0.10 N ATOM 224 CA ALA A 15 6.776 -4.855 3.005 1.00 0.10 C ATOM 225 C ALA A 15 5.457 -5.336 2.393 1.00 0.10 C ATOM 226 O ALA A 15 4.512 -5.644 3.094 1.00 0.10 O ATOM 227 CB ALA A 15 6.710 -3.344 3.243 1.00 0.09 C ATOM 0 H ALA A 15 8.340 -4.340 1.648 1.00 0.10 H new ATOM 0 HA ALA A 15 6.939 -5.369 3.952 1.00 0.10 H new ATOM 0 HB1 ALA A 15 5.888 -3.118 3.923 1.00 0.09 H new ATOM 0 HB2 ALA A 15 7.648 -3.003 3.682 1.00 0.09 H new ATOM 0 HB3 ALA A 15 6.547 -2.833 2.294 1.00 0.09 H new ATOM 233 N PHE A 16 5.382 -5.393 1.094 1.00 0.11 N ATOM 234 CA PHE A 16 4.124 -5.842 0.432 1.00 0.11 C ATOM 235 C PHE A 16 3.998 -7.364 0.494 1.00 0.13 C ATOM 236 O PHE A 16 2.938 -7.899 0.751 1.00 0.14 O ATOM 237 CB PHE A 16 4.142 -5.399 -1.030 1.00 0.11 C ATOM 238 CG PHE A 16 2.775 -5.594 -1.630 1.00 0.11 C ATOM 239 CD1 PHE A 16 2.445 -6.807 -2.247 1.00 0.13 C ATOM 240 CD2 PHE A 16 1.839 -4.554 -1.577 1.00 0.11 C ATOM 241 CE1 PHE A 16 1.172 -6.979 -2.814 1.00 0.14 C ATOM 242 CE2 PHE A 16 0.572 -4.728 -2.137 1.00 0.12 C ATOM 243 CZ PHE A 16 0.241 -5.935 -2.755 1.00 0.13 C ATOM 0 H PHE A 16 6.141 -5.147 0.458 1.00 0.11 H new ATOM 0 HA PHE A 16 3.275 -5.398 0.951 1.00 0.11 H new ATOM 0 HB2 PHE A 16 4.436 -4.352 -1.100 1.00 0.11 H new ATOM 0 HB3 PHE A 16 4.881 -5.975 -1.587 1.00 0.11 H new ATOM 0 HD1 PHE A 16 3.168 -7.608 -2.287 1.00 0.13 H new ATOM 0 HD2 PHE A 16 2.097 -3.618 -1.103 1.00 0.11 H new ATOM 0 HE1 PHE A 16 0.912 -7.912 -3.293 1.00 0.14 H new ATOM 0 HE2 PHE A 16 -0.152 -3.928 -2.092 1.00 0.12 H new ATOM 0 HZ PHE A 16 -0.739 -6.064 -3.190 1.00 0.13 H new ATOM 253 N SER A 17 5.064 -8.068 0.244 1.00 0.15 N ATOM 254 CA SER A 17 5.002 -9.556 0.269 1.00 0.18 C ATOM 255 C SER A 17 4.842 -10.060 1.707 1.00 0.16 C ATOM 256 O SER A 17 4.398 -11.168 1.933 1.00 0.15 O ATOM 257 CB SER A 17 6.287 -10.126 -0.333 1.00 0.24 C ATOM 258 OG SER A 17 6.321 -9.838 -1.724 1.00 1.74 O ATOM 0 H SER A 17 5.980 -7.677 0.022 1.00 0.15 H new ATOM 0 HA SER A 17 4.142 -9.885 -0.315 1.00 0.18 H new ATOM 0 HB2 SER A 17 7.157 -9.693 0.161 1.00 0.24 H new ATOM 0 HB3 SER A 17 6.331 -11.203 -0.172 1.00 0.24 H new ATOM 0 HG SER A 17 7.144 -10.200 -2.113 1.00 1.74 H new ATOM 264 N LEU A 18 5.203 -9.271 2.683 1.00 0.19 N ATOM 265 CA LEU A 18 5.069 -9.738 4.094 1.00 0.19 C ATOM 266 C LEU A 18 3.600 -10.058 4.393 1.00 0.16 C ATOM 267 O LEU A 18 3.301 -10.796 5.312 1.00 0.18 O ATOM 268 CB LEU A 18 5.564 -8.637 5.058 1.00 0.18 C ATOM 269 CG LEU A 18 7.075 -8.784 5.340 1.00 0.22 C ATOM 270 CD1 LEU A 18 7.553 -7.595 6.191 1.00 0.24 C ATOM 271 CD2 LEU A 18 7.359 -10.104 6.097 1.00 0.28 C ATOM 0 H LEU A 18 5.582 -8.331 2.567 1.00 0.19 H new ATOM 0 HA LEU A 18 5.671 -10.636 4.233 1.00 0.19 H new ATOM 0 HB2 LEU A 18 5.365 -7.656 4.627 1.00 0.18 H new ATOM 0 HB3 LEU A 18 5.009 -8.693 5.994 1.00 0.18 H new ATOM 0 HG LEU A 18 7.610 -8.801 4.390 1.00 0.22 H new ATOM 0 HD11 LEU A 18 8.620 -7.697 6.391 1.00 0.24 H new ATOM 0 HD12 LEU A 18 7.372 -6.665 5.651 1.00 0.24 H new ATOM 0 HD13 LEU A 18 7.006 -7.579 7.134 1.00 0.24 H new ATOM 0 HD21 LEU A 18 8.429 -10.191 6.287 1.00 0.28 H new ATOM 0 HD22 LEU A 18 6.821 -10.103 7.045 1.00 0.28 H new ATOM 0 HD23 LEU A 18 7.028 -10.949 5.493 1.00 0.28 H new ATOM 283 N PHE A 19 2.683 -9.496 3.642 1.00 0.15 N ATOM 284 CA PHE A 19 1.225 -9.748 3.895 1.00 0.15 C ATOM 285 C PHE A 19 0.571 -10.368 2.659 1.00 0.18 C ATOM 286 O PHE A 19 -0.625 -10.266 2.461 1.00 0.20 O ATOM 287 CB PHE A 19 0.562 -8.421 4.233 1.00 0.12 C ATOM 288 CG PHE A 19 1.276 -7.833 5.420 1.00 0.05 C ATOM 289 CD1 PHE A 19 2.495 -7.172 5.241 1.00 0.08 C ATOM 290 CD2 PHE A 19 0.729 -7.964 6.700 1.00 0.07 C ATOM 291 CE1 PHE A 19 3.171 -6.638 6.343 1.00 0.11 C ATOM 292 CE2 PHE A 19 1.403 -7.430 7.804 1.00 0.06 C ATOM 293 CZ PHE A 19 2.624 -6.766 7.626 1.00 0.08 C ATOM 0 H PHE A 19 2.881 -8.871 2.861 1.00 0.15 H new ATOM 0 HA PHE A 19 1.106 -10.446 4.724 1.00 0.15 H new ATOM 0 HB2 PHE A 19 0.614 -7.742 3.382 1.00 0.12 H new ATOM 0 HB3 PHE A 19 -0.494 -8.569 4.459 1.00 0.12 H new ATOM 0 HD1 PHE A 19 2.915 -7.074 4.251 1.00 0.08 H new ATOM 0 HD2 PHE A 19 -0.212 -8.476 6.836 1.00 0.07 H new ATOM 0 HE1 PHE A 19 4.113 -6.128 6.205 1.00 0.11 H new ATOM 0 HE2 PHE A 19 0.982 -7.530 8.794 1.00 0.06 H new ATOM 0 HZ PHE A 19 3.143 -6.353 8.478 1.00 0.08 H new ATOM 303 N ASP A 20 1.343 -11.028 1.836 1.00 0.21 N ATOM 304 CA ASP A 20 0.776 -11.681 0.618 1.00 0.24 C ATOM 305 C ASP A 20 0.593 -13.175 0.913 1.00 0.34 C ATOM 306 O ASP A 20 1.305 -14.013 0.396 1.00 0.39 O ATOM 307 CB ASP A 20 1.749 -11.508 -0.553 1.00 0.23 C ATOM 308 CG ASP A 20 1.251 -12.313 -1.756 1.00 0.27 C ATOM 309 OD1 ASP A 20 0.346 -11.844 -2.424 1.00 1.06 O ATOM 310 OD2 ASP A 20 1.786 -13.386 -1.986 1.00 1.25 O ATOM 0 H ASP A 20 2.349 -11.144 1.956 1.00 0.21 H new ATOM 0 HA ASP A 20 -0.181 -11.228 0.358 1.00 0.24 H new ATOM 0 HB2 ASP A 20 1.832 -10.454 -0.817 1.00 0.23 H new ATOM 0 HB3 ASP A 20 2.745 -11.844 -0.264 1.00 0.23 H new ATOM 315 N LYS A 21 -0.340 -13.509 1.764 1.00 0.38 N ATOM 316 CA LYS A 21 -0.557 -14.944 2.130 1.00 0.48 C ATOM 317 C LYS A 21 -1.285 -15.688 1.014 1.00 0.52 C ATOM 318 O LYS A 21 -1.569 -16.864 1.120 1.00 0.61 O ATOM 319 CB LYS A 21 -1.397 -15.012 3.403 1.00 0.51 C ATOM 320 CG LYS A 21 -0.665 -14.305 4.552 1.00 0.43 C ATOM 321 CD LYS A 21 0.468 -15.189 5.092 1.00 0.46 C ATOM 322 CE LYS A 21 0.928 -14.657 6.451 1.00 0.48 C ATOM 323 NZ LYS A 21 2.050 -15.499 6.959 1.00 0.82 N ATOM 0 H LYS A 21 -0.965 -12.848 2.225 1.00 0.38 H new ATOM 0 HA LYS A 21 0.414 -15.414 2.286 1.00 0.48 H new ATOM 0 HB2 LYS A 21 -2.366 -14.543 3.235 1.00 0.51 H new ATOM 0 HB3 LYS A 21 -1.588 -16.052 3.668 1.00 0.51 H new ATOM 0 HG2 LYS A 21 -0.259 -13.356 4.203 1.00 0.43 H new ATOM 0 HG3 LYS A 21 -1.368 -14.075 5.353 1.00 0.43 H new ATOM 0 HD2 LYS A 21 0.125 -16.219 5.190 1.00 0.46 H new ATOM 0 HD3 LYS A 21 1.303 -15.197 4.391 1.00 0.46 H new ATOM 0 HE2 LYS A 21 1.250 -13.620 6.358 1.00 0.48 H new ATOM 0 HE3 LYS A 21 0.099 -14.671 7.159 1.00 0.48 H new ATOM 0 HZ1 LYS A 21 2.364 -15.139 7.883 1.00 0.82 H new ATOM 0 HZ2 LYS A 21 1.727 -16.482 7.062 1.00 0.82 H new ATOM 0 HZ3 LYS A 21 2.842 -15.464 6.286 1.00 0.82 H new ATOM 337 N ASP A 22 -1.590 -15.011 -0.046 1.00 0.45 N ATOM 338 CA ASP A 22 -2.307 -15.663 -1.187 1.00 0.48 C ATOM 339 C ASP A 22 -1.305 -16.030 -2.286 1.00 0.47 C ATOM 340 O ASP A 22 -1.674 -16.537 -3.326 1.00 0.48 O ATOM 341 CB ASP A 22 -3.339 -14.685 -1.757 1.00 0.43 C ATOM 342 CG ASP A 22 -4.156 -14.077 -0.616 1.00 0.57 C ATOM 343 OD1 ASP A 22 -3.561 -13.444 0.239 1.00 1.33 O ATOM 344 OD2 ASP A 22 -5.362 -14.255 -0.617 1.00 1.30 O ATOM 0 H ASP A 22 -1.375 -14.023 -0.182 1.00 0.45 H new ATOM 0 HA ASP A 22 -2.804 -16.566 -0.833 1.00 0.48 H new ATOM 0 HB2 ASP A 22 -2.837 -13.897 -2.318 1.00 0.43 H new ATOM 0 HB3 ASP A 22 -3.998 -15.202 -2.454 1.00 0.43 H new ATOM 349 N GLY A 23 -0.041 -15.784 -2.065 1.00 0.45 N ATOM 350 CA GLY A 23 0.977 -16.124 -3.100 1.00 0.47 C ATOM 351 C GLY A 23 0.522 -15.578 -4.449 1.00 0.41 C ATOM 352 O GLY A 23 1.024 -15.959 -5.488 1.00 0.39 O ATOM 0 H GLY A 23 0.330 -15.363 -1.213 1.00 0.45 H new ATOM 0 HA2 GLY A 23 1.944 -15.699 -2.830 1.00 0.47 H new ATOM 0 HA3 GLY A 23 1.108 -17.205 -3.157 1.00 0.47 H new ATOM 356 N ASP A 24 -0.431 -14.683 -4.439 1.00 0.38 N ATOM 357 CA ASP A 24 -0.940 -14.105 -5.721 1.00 0.32 C ATOM 358 C ASP A 24 -0.300 -12.734 -5.952 1.00 0.28 C ATOM 359 O ASP A 24 -0.587 -12.064 -6.923 1.00 0.25 O ATOM 360 CB ASP A 24 -2.461 -13.942 -5.631 1.00 0.31 C ATOM 361 CG ASP A 24 -3.032 -13.693 -7.030 1.00 0.29 C ATOM 362 OD1 ASP A 24 -2.496 -14.248 -7.974 1.00 1.09 O ATOM 363 OD2 ASP A 24 -3.995 -12.951 -7.131 1.00 1.19 O ATOM 0 H ASP A 24 -0.881 -14.326 -3.596 1.00 0.38 H new ATOM 0 HA ASP A 24 -0.687 -14.770 -6.547 1.00 0.32 H new ATOM 0 HB2 ASP A 24 -2.908 -14.837 -5.198 1.00 0.31 H new ATOM 0 HB3 ASP A 24 -2.710 -13.110 -4.972 1.00 0.31 H new ATOM 368 N GLY A 25 0.572 -12.310 -5.076 1.00 0.29 N ATOM 369 CA GLY A 25 1.224 -10.984 -5.266 1.00 0.26 C ATOM 370 C GLY A 25 0.223 -9.870 -4.931 1.00 0.22 C ATOM 371 O GLY A 25 0.287 -8.789 -5.483 1.00 0.21 O ATOM 0 H GLY A 25 0.859 -12.822 -4.242 1.00 0.29 H new ATOM 0 HA2 GLY A 25 2.102 -10.903 -4.625 1.00 0.26 H new ATOM 0 HA3 GLY A 25 1.569 -10.880 -6.295 1.00 0.26 H new ATOM 375 N THR A 26 -0.710 -10.121 -4.036 1.00 0.20 N ATOM 376 CA THR A 26 -1.719 -9.075 -3.677 1.00 0.17 C ATOM 377 C THR A 26 -1.977 -9.101 -2.169 1.00 0.15 C ATOM 378 O THR A 26 -1.584 -10.018 -1.475 1.00 0.15 O ATOM 379 CB THR A 26 -3.032 -9.355 -4.409 1.00 0.18 C ATOM 380 OG1 THR A 26 -3.572 -10.588 -3.953 1.00 0.18 O ATOM 381 CG2 THR A 26 -2.783 -9.429 -5.914 1.00 0.20 C ATOM 0 H THR A 26 -0.813 -11.007 -3.541 1.00 0.20 H new ATOM 0 HA THR A 26 -1.335 -8.097 -3.967 1.00 0.17 H new ATOM 0 HB THR A 26 -3.737 -8.549 -4.205 1.00 0.18 H new ATOM 0 HG1 THR A 26 -4.415 -10.769 -4.420 1.00 0.18 H new ATOM 0 HG21 THR A 26 -3.723 -9.629 -6.429 1.00 0.20 H new ATOM 0 HG22 THR A 26 -2.373 -8.481 -6.262 1.00 0.20 H new ATOM 0 HG23 THR A 26 -2.075 -10.230 -6.127 1.00 0.20 H new ATOM 389 N ILE A 27 -2.651 -8.099 -1.658 1.00 0.14 N ATOM 390 CA ILE A 27 -2.963 -8.053 -0.196 1.00 0.12 C ATOM 391 C ILE A 27 -4.387 -7.522 -0.019 1.00 0.12 C ATOM 392 O ILE A 27 -4.972 -6.995 -0.942 1.00 0.13 O ATOM 393 CB ILE A 27 -1.973 -7.123 0.519 1.00 0.11 C ATOM 394 CG1 ILE A 27 -2.053 -5.712 -0.082 1.00 0.10 C ATOM 395 CG2 ILE A 27 -0.552 -7.668 0.352 1.00 0.11 C ATOM 396 CD1 ILE A 27 -1.107 -4.774 0.672 1.00 0.09 C ATOM 0 H ILE A 27 -3.000 -7.306 -2.196 1.00 0.14 H new ATOM 0 HA ILE A 27 -2.879 -9.052 0.233 1.00 0.12 H new ATOM 0 HB ILE A 27 -2.226 -7.076 1.578 1.00 0.11 H new ATOM 0 HG12 ILE A 27 -1.786 -5.741 -1.138 1.00 0.10 H new ATOM 0 HG13 ILE A 27 -3.075 -5.338 -0.022 1.00 0.10 H new ATOM 0 HG21 ILE A 27 0.152 -7.009 0.859 1.00 0.11 H new ATOM 0 HG22 ILE A 27 -0.492 -8.666 0.786 1.00 0.11 H new ATOM 0 HG23 ILE A 27 -0.304 -7.718 -0.708 1.00 0.11 H new ATOM 0 HD11 ILE A 27 -1.167 -3.774 0.242 1.00 0.09 H new ATOM 0 HD12 ILE A 27 -1.394 -4.735 1.723 1.00 0.09 H new ATOM 0 HD13 ILE A 27 -0.085 -5.144 0.589 1.00 0.09 H new ATOM 408 N THR A 28 -4.953 -7.646 1.151 1.00 0.13 N ATOM 409 CA THR A 28 -6.336 -7.135 1.362 1.00 0.13 C ATOM 410 C THR A 28 -6.290 -5.687 1.839 1.00 0.10 C ATOM 411 O THR A 28 -5.258 -5.181 2.233 1.00 0.09 O ATOM 412 CB THR A 28 -7.040 -7.969 2.426 1.00 0.16 C ATOM 413 OG1 THR A 28 -6.716 -7.462 3.714 1.00 0.16 O ATOM 414 CG2 THR A 28 -6.594 -9.425 2.323 1.00 0.19 C ATOM 0 H THR A 28 -4.519 -8.078 1.967 1.00 0.13 H new ATOM 0 HA THR A 28 -6.876 -7.199 0.417 1.00 0.13 H new ATOM 0 HB THR A 28 -8.118 -7.914 2.272 1.00 0.16 H new ATOM 0 HG1 THR A 28 -7.035 -8.085 4.400 1.00 0.16 H new ATOM 0 HG21 THR A 28 -7.101 -10.016 3.086 1.00 0.19 H new ATOM 0 HG22 THR A 28 -6.846 -9.814 1.336 1.00 0.19 H new ATOM 0 HG23 THR A 28 -5.516 -9.487 2.473 1.00 0.19 H new ATOM 422 N THR A 29 -7.409 -5.023 1.821 1.00 0.11 N ATOM 423 CA THR A 29 -7.450 -3.615 2.290 1.00 0.10 C ATOM 424 C THR A 29 -7.274 -3.591 3.813 1.00 0.14 C ATOM 425 O THR A 29 -6.786 -2.634 4.378 1.00 0.16 O ATOM 426 CB THR A 29 -8.812 -3.009 1.927 1.00 0.11 C ATOM 427 OG1 THR A 29 -9.822 -3.989 2.117 1.00 0.11 O ATOM 428 CG2 THR A 29 -8.821 -2.552 0.464 1.00 0.15 C ATOM 0 H THR A 29 -8.301 -5.398 1.500 1.00 0.11 H new ATOM 0 HA THR A 29 -6.653 -3.040 1.819 1.00 0.10 H new ATOM 0 HB THR A 29 -8.999 -2.147 2.567 1.00 0.11 H new ATOM 0 HG1 THR A 29 -10.695 -3.607 1.888 1.00 0.11 H new ATOM 0 HG21 THR A 29 -9.794 -2.125 0.222 1.00 0.15 H new ATOM 0 HG22 THR A 29 -8.047 -1.800 0.313 1.00 0.15 H new ATOM 0 HG23 THR A 29 -8.629 -3.406 -0.185 1.00 0.15 H new ATOM 436 N LYS A 30 -7.683 -4.635 4.478 1.00 0.15 N ATOM 437 CA LYS A 30 -7.559 -4.675 5.960 1.00 0.18 C ATOM 438 C LYS A 30 -6.085 -4.685 6.367 1.00 0.14 C ATOM 439 O LYS A 30 -5.739 -4.291 7.465 1.00 0.13 O ATOM 440 CB LYS A 30 -8.250 -5.933 6.488 1.00 0.25 C ATOM 441 CG LYS A 30 -9.731 -5.898 6.104 1.00 0.24 C ATOM 442 CD LYS A 30 -10.468 -7.052 6.784 1.00 0.18 C ATOM 443 CE LYS A 30 -11.973 -6.894 6.564 1.00 0.76 C ATOM 444 NZ LYS A 30 -12.697 -7.964 7.307 1.00 0.90 N ATOM 0 H LYS A 30 -8.099 -5.465 4.056 1.00 0.15 H new ATOM 0 HA LYS A 30 -8.032 -3.790 6.385 1.00 0.18 H new ATOM 0 HB2 LYS A 30 -7.776 -6.823 6.073 1.00 0.25 H new ATOM 0 HB3 LYS A 30 -8.145 -5.992 7.571 1.00 0.25 H new ATOM 0 HG2 LYS A 30 -10.171 -4.947 6.402 1.00 0.24 H new ATOM 0 HG3 LYS A 30 -9.838 -5.973 5.022 1.00 0.24 H new ATOM 0 HD2 LYS A 30 -10.128 -8.005 6.378 1.00 0.18 H new ATOM 0 HD3 LYS A 30 -10.244 -7.062 7.851 1.00 0.18 H new ATOM 0 HE2 LYS A 30 -12.301 -5.913 6.907 1.00 0.76 H new ATOM 0 HE3 LYS A 30 -12.205 -6.954 5.501 1.00 0.76 H new ATOM 0 HZ1 LYS A 30 -13.721 -7.858 7.158 1.00 0.90 H new ATOM 0 HZ2 LYS A 30 -12.391 -8.895 6.960 1.00 0.90 H new ATOM 0 HZ3 LYS A 30 -12.485 -7.886 8.322 1.00 0.90 H new ATOM 458 N GLU A 31 -5.212 -5.133 5.502 1.00 0.13 N ATOM 459 CA GLU A 31 -3.752 -5.171 5.851 1.00 0.10 C ATOM 460 C GLU A 31 -3.032 -3.985 5.209 1.00 0.08 C ATOM 461 O GLU A 31 -1.820 -3.944 5.157 1.00 0.02 O ATOM 462 CB GLU A 31 -3.128 -6.470 5.334 1.00 0.12 C ATOM 463 CG GLU A 31 -3.911 -7.675 5.868 1.00 0.16 C ATOM 464 CD GLU A 31 -3.518 -8.927 5.079 1.00 0.20 C ATOM 465 OE1 GLU A 31 -3.416 -8.832 3.867 1.00 0.17 O ATOM 466 OE2 GLU A 31 -3.330 -9.959 5.700 1.00 0.36 O ATOM 0 H GLU A 31 -5.442 -5.475 4.569 1.00 0.13 H new ATOM 0 HA GLU A 31 -3.649 -5.119 6.935 1.00 0.10 H new ATOM 0 HB2 GLU A 31 -3.132 -6.477 4.244 1.00 0.12 H new ATOM 0 HB3 GLU A 31 -2.086 -6.534 5.649 1.00 0.12 H new ATOM 0 HG2 GLU A 31 -3.701 -7.819 6.928 1.00 0.16 H new ATOM 0 HG3 GLU A 31 -4.982 -7.496 5.777 1.00 0.16 H new ATOM 473 N LEU A 32 -3.756 -3.019 4.716 1.00 0.15 N ATOM 474 CA LEU A 32 -3.086 -1.852 4.078 1.00 0.15 C ATOM 475 C LEU A 32 -2.357 -1.030 5.149 1.00 0.17 C ATOM 476 O LEU A 32 -1.180 -0.753 5.030 1.00 0.20 O ATOM 477 CB LEU A 32 -4.137 -0.986 3.370 1.00 0.21 C ATOM 478 CG LEU A 32 -3.514 0.333 2.893 1.00 0.26 C ATOM 479 CD1 LEU A 32 -2.239 0.053 2.090 1.00 0.28 C ATOM 480 CD2 LEU A 32 -4.523 1.073 2.008 1.00 0.29 C ATOM 0 H LEU A 32 -4.775 -2.987 4.727 1.00 0.15 H new ATOM 0 HA LEU A 32 -2.359 -2.201 3.345 1.00 0.15 H new ATOM 0 HB2 LEU A 32 -4.550 -1.528 2.520 1.00 0.21 H new ATOM 0 HB3 LEU A 32 -4.964 -0.780 4.049 1.00 0.21 H new ATOM 0 HG LEU A 32 -3.260 0.945 3.758 1.00 0.26 H new ATOM 0 HD11 LEU A 32 -1.805 0.995 1.756 1.00 0.28 H new ATOM 0 HD12 LEU A 32 -1.522 -0.475 2.719 1.00 0.28 H new ATOM 0 HD13 LEU A 32 -2.482 -0.561 1.223 1.00 0.28 H new ATOM 0 HD21 LEU A 32 -4.087 2.011 1.665 1.00 0.29 H new ATOM 0 HD22 LEU A 32 -4.774 0.454 1.147 1.00 0.29 H new ATOM 0 HD23 LEU A 32 -5.426 1.281 2.582 1.00 0.29 H new ATOM 492 N GLY A 33 -3.037 -0.641 6.194 1.00 0.23 N ATOM 493 CA GLY A 33 -2.364 0.158 7.258 1.00 0.28 C ATOM 494 C GLY A 33 -1.249 -0.674 7.891 1.00 0.24 C ATOM 495 O GLY A 33 -0.260 -0.150 8.358 1.00 0.32 O ATOM 0 H GLY A 33 -4.024 -0.841 6.356 1.00 0.23 H new ATOM 0 HA2 GLY A 33 -1.953 1.074 6.834 1.00 0.28 H new ATOM 0 HA3 GLY A 33 -3.087 0.454 8.018 1.00 0.28 H new ATOM 499 N THR A 34 -1.396 -1.973 7.909 1.00 0.16 N ATOM 500 CA THR A 34 -0.336 -2.828 8.516 1.00 0.15 C ATOM 501 C THR A 34 0.932 -2.736 7.667 1.00 0.17 C ATOM 502 O THR A 34 2.031 -2.647 8.177 1.00 0.24 O ATOM 503 CB THR A 34 -0.829 -4.281 8.578 1.00 0.09 C ATOM 504 OG1 THR A 34 -2.203 -4.296 8.939 1.00 0.03 O ATOM 505 CG2 THR A 34 -0.024 -5.069 9.614 1.00 0.18 C ATOM 0 H THR A 34 -2.199 -2.476 7.532 1.00 0.16 H new ATOM 0 HA THR A 34 -0.114 -2.485 9.527 1.00 0.15 H new ATOM 0 HB THR A 34 -0.697 -4.743 7.600 1.00 0.09 H new ATOM 0 HG1 THR A 34 -2.521 -5.222 8.978 1.00 0.03 H new ATOM 0 HG21 THR A 34 -0.383 -6.098 9.648 1.00 0.18 H new ATOM 0 HG22 THR A 34 1.030 -5.062 9.338 1.00 0.18 H new ATOM 0 HG23 THR A 34 -0.145 -4.610 10.595 1.00 0.18 H new ATOM 513 N VAL A 35 0.789 -2.743 6.373 1.00 0.12 N ATOM 514 CA VAL A 35 1.987 -2.639 5.495 1.00 0.14 C ATOM 515 C VAL A 35 2.566 -1.232 5.638 1.00 0.16 C ATOM 516 O VAL A 35 3.740 -1.048 5.902 1.00 0.18 O ATOM 517 CB VAL A 35 1.578 -2.878 4.041 1.00 0.13 C ATOM 518 CG1 VAL A 35 2.778 -2.645 3.124 1.00 0.13 C ATOM 519 CG2 VAL A 35 1.094 -4.318 3.879 1.00 0.13 C ATOM 0 H VAL A 35 -0.104 -2.816 5.885 1.00 0.12 H new ATOM 0 HA VAL A 35 2.730 -3.383 5.782 1.00 0.14 H new ATOM 0 HB VAL A 35 0.777 -2.188 3.775 1.00 0.13 H new ATOM 0 HG11 VAL A 35 2.483 -2.816 2.089 1.00 0.13 H new ATOM 0 HG12 VAL A 35 3.128 -1.619 3.237 1.00 0.13 H new ATOM 0 HG13 VAL A 35 3.580 -3.334 3.392 1.00 0.13 H new ATOM 0 HG21 VAL A 35 0.802 -4.489 2.843 1.00 0.13 H new ATOM 0 HG22 VAL A 35 1.897 -5.004 4.148 1.00 0.13 H new ATOM 0 HG23 VAL A 35 0.237 -4.489 4.530 1.00 0.13 H new ATOM 529 N MET A 36 1.737 -0.239 5.477 1.00 0.15 N ATOM 530 CA MET A 36 2.218 1.162 5.615 1.00 0.17 C ATOM 531 C MET A 36 2.868 1.328 6.989 1.00 0.17 C ATOM 532 O MET A 36 3.772 2.120 7.166 1.00 0.09 O ATOM 533 CB MET A 36 1.032 2.132 5.494 1.00 0.16 C ATOM 534 CG MET A 36 0.580 2.261 4.031 1.00 0.16 C ATOM 535 SD MET A 36 -0.295 3.836 3.817 1.00 1.04 S ATOM 536 CE MET A 36 0.420 4.300 2.219 1.00 0.33 C ATOM 0 H MET A 36 0.746 -0.338 5.256 1.00 0.15 H new ATOM 0 HA MET A 36 2.942 1.380 4.830 1.00 0.17 H new ATOM 0 HB2 MET A 36 0.202 1.777 6.106 1.00 0.16 H new ATOM 0 HB3 MET A 36 1.316 3.111 5.879 1.00 0.16 H new ATOM 0 HG2 MET A 36 1.442 2.216 3.366 1.00 0.16 H new ATOM 0 HG3 MET A 36 -0.072 1.429 3.764 1.00 0.16 H new ATOM 0 HE1 MET A 36 -0.150 5.125 1.791 1.00 0.33 H new ATOM 0 HE2 MET A 36 1.456 4.609 2.360 1.00 0.33 H new ATOM 0 HE3 MET A 36 0.385 3.446 1.543 1.00 0.33 H new ATOM 546 N ARG A 37 2.418 0.585 7.970 1.00 0.27 N ATOM 547 CA ARG A 37 3.018 0.704 9.329 1.00 0.28 C ATOM 548 C ARG A 37 4.452 0.174 9.290 1.00 0.27 C ATOM 549 O ARG A 37 5.330 0.678 9.961 1.00 0.28 O ATOM 550 CB ARG A 37 2.183 -0.108 10.335 1.00 0.38 C ATOM 551 CG ARG A 37 0.955 0.707 10.790 1.00 0.41 C ATOM 552 CD ARG A 37 1.325 1.604 11.977 1.00 1.15 C ATOM 553 NE ARG A 37 1.441 0.776 13.212 1.00 1.26 N ATOM 554 CZ ARG A 37 2.025 1.265 14.272 1.00 2.49 C ATOM 555 NH1 ARG A 37 2.510 2.477 14.250 1.00 3.70 N ATOM 556 NH2 ARG A 37 2.122 0.544 15.356 1.00 2.60 N ATOM 0 H ARG A 37 1.663 -0.096 7.886 1.00 0.27 H new ATOM 0 HA ARG A 37 3.026 1.749 9.640 1.00 0.28 H new ATOM 0 HB2 ARG A 37 1.859 -1.043 9.878 1.00 0.38 H new ATOM 0 HB3 ARG A 37 2.795 -0.370 11.198 1.00 0.38 H new ATOM 0 HG2 ARG A 37 0.588 1.317 9.964 1.00 0.41 H new ATOM 0 HG3 ARG A 37 0.146 0.033 11.072 1.00 0.41 H new ATOM 0 HD2 ARG A 37 2.267 2.115 11.780 1.00 1.15 H new ATOM 0 HD3 ARG A 37 0.567 2.375 12.114 1.00 1.15 H new ATOM 0 HE ARG A 37 1.064 -0.172 13.228 1.00 1.26 H new ATOM 0 HH11 ARG A 37 2.433 3.042 13.404 1.00 3.70 H new ATOM 0 HH12 ARG A 37 2.966 2.859 15.078 1.00 3.70 H new ATOM 0 HH21 ARG A 37 1.741 -0.402 15.375 1.00 2.60 H new ATOM 0 HH22 ARG A 37 2.579 0.927 16.184 1.00 2.60 H new ATOM 570 N SER A 38 4.699 -0.835 8.501 1.00 0.28 N ATOM 571 CA SER A 38 6.078 -1.385 8.416 1.00 0.30 C ATOM 572 C SER A 38 7.017 -0.291 7.907 1.00 0.24 C ATOM 573 O SER A 38 8.168 -0.217 8.290 1.00 0.27 O ATOM 574 CB SER A 38 6.097 -2.568 7.447 1.00 0.33 C ATOM 575 OG SER A 38 6.127 -2.081 6.112 1.00 0.30 O ATOM 0 H SER A 38 4.007 -1.300 7.914 1.00 0.28 H new ATOM 0 HA SER A 38 6.403 -1.722 9.400 1.00 0.30 H new ATOM 0 HB2 SER A 38 6.968 -3.195 7.637 1.00 0.33 H new ATOM 0 HB3 SER A 38 5.216 -3.192 7.599 1.00 0.33 H new ATOM 0 HG SER A 38 5.382 -1.460 5.974 1.00 0.30 H new ATOM 581 N LEU A 39 6.530 0.560 7.046 1.00 0.19 N ATOM 582 CA LEU A 39 7.390 1.655 6.510 1.00 0.17 C ATOM 583 C LEU A 39 7.477 2.792 7.532 1.00 0.15 C ATOM 584 O LEU A 39 8.153 3.778 7.319 1.00 0.16 O ATOM 585 CB LEU A 39 6.793 2.174 5.200 1.00 0.15 C ATOM 586 CG LEU A 39 6.444 0.987 4.294 1.00 0.14 C ATOM 587 CD1 LEU A 39 5.944 1.505 2.945 1.00 0.16 C ATOM 588 CD2 LEU A 39 7.687 0.113 4.082 1.00 0.12 C ATOM 0 H LEU A 39 5.574 0.545 6.690 1.00 0.19 H new ATOM 0 HA LEU A 39 8.393 1.272 6.322 1.00 0.17 H new ATOM 0 HB2 LEU A 39 5.900 2.765 5.403 1.00 0.15 H new ATOM 0 HB3 LEU A 39 7.503 2.832 4.699 1.00 0.15 H new ATOM 0 HG LEU A 39 5.663 0.390 4.766 1.00 0.14 H new ATOM 0 HD11 LEU A 39 5.696 0.662 2.301 1.00 0.16 H new ATOM 0 HD12 LEU A 39 5.056 2.119 3.097 1.00 0.16 H new ATOM 0 HD13 LEU A 39 6.723 2.104 2.474 1.00 0.16 H new ATOM 0 HD21 LEU A 39 7.434 -0.729 3.438 1.00 0.12 H new ATOM 0 HD22 LEU A 39 8.473 0.705 3.613 1.00 0.12 H new ATOM 0 HD23 LEU A 39 8.038 -0.259 5.044 1.00 0.12 H new ATOM 600 N GLY A 40 6.811 2.656 8.649 1.00 0.15 N ATOM 601 CA GLY A 40 6.871 3.723 9.697 1.00 0.13 C ATOM 602 C GLY A 40 5.787 4.783 9.462 1.00 0.10 C ATOM 603 O GLY A 40 5.911 5.906 9.911 1.00 0.14 O ATOM 0 H GLY A 40 6.227 1.853 8.883 1.00 0.15 H new ATOM 0 HA2 GLY A 40 6.742 3.277 10.683 1.00 0.13 H new ATOM 0 HA3 GLY A 40 7.854 4.194 9.686 1.00 0.13 H new ATOM 607 N GLN A 41 4.724 4.441 8.772 1.00 0.15 N ATOM 608 CA GLN A 41 3.624 5.432 8.514 1.00 0.21 C ATOM 609 C GLN A 41 2.369 5.006 9.284 1.00 0.31 C ATOM 610 O GLN A 41 2.051 3.837 9.358 1.00 0.38 O ATOM 611 CB GLN A 41 3.317 5.463 7.017 1.00 0.10 C ATOM 612 CG GLN A 41 4.561 5.919 6.253 1.00 0.14 C ATOM 613 CD GLN A 41 4.202 6.168 4.788 1.00 0.93 C ATOM 614 OE1 GLN A 41 3.896 5.246 4.058 1.00 2.04 O ATOM 615 NE2 GLN A 41 4.224 7.387 4.321 1.00 1.06 N ATOM 0 H GLN A 41 4.568 3.515 8.374 1.00 0.15 H new ATOM 0 HA GLN A 41 3.935 6.423 8.844 1.00 0.21 H new ATOM 0 HB2 GLN A 41 3.010 4.474 6.677 1.00 0.10 H new ATOM 0 HB3 GLN A 41 2.486 6.140 6.819 1.00 0.10 H new ATOM 0 HG2 GLN A 41 4.961 6.829 6.700 1.00 0.14 H new ATOM 0 HG3 GLN A 41 5.341 5.161 6.323 1.00 0.14 H new ATOM 0 HE21 GLN A 41 4.481 8.163 4.932 1.00 1.06 H new ATOM 0 HE22 GLN A 41 3.985 7.564 3.345 1.00 1.06 H new ATOM 624 N ASN A 42 1.653 5.943 9.864 1.00 0.41 N ATOM 625 CA ASN A 42 0.420 5.583 10.638 1.00 0.52 C ATOM 626 C ASN A 42 -0.709 6.581 10.332 1.00 0.48 C ATOM 627 O ASN A 42 -1.014 7.421 11.154 1.00 0.63 O ATOM 628 CB ASN A 42 0.733 5.635 12.137 1.00 0.77 C ATOM 629 CG ASN A 42 -0.435 5.037 12.922 1.00 0.92 C ATOM 630 OD1 ASN A 42 -1.048 4.081 12.491 1.00 1.92 O ATOM 631 ND2 ASN A 42 -0.775 5.565 14.068 1.00 0.62 N ATOM 0 H ASN A 42 1.869 6.939 9.835 1.00 0.41 H new ATOM 0 HA ASN A 42 0.103 4.580 10.352 1.00 0.52 H new ATOM 0 HB2 ASN A 42 1.648 5.082 12.348 1.00 0.77 H new ATOM 0 HB3 ASN A 42 0.905 6.665 12.448 1.00 0.77 H new ATOM 0 HD21 ASN A 42 -1.554 5.174 14.599 1.00 0.62 H new ATOM 0 HD22 ASN A 42 -0.262 6.368 14.432 1.00 0.62 H new ATOM 638 N PRO A 43 -1.311 6.464 9.167 1.00 0.31 N ATOM 639 CA PRO A 43 -2.413 7.362 8.775 1.00 0.32 C ATOM 640 C PRO A 43 -3.641 7.045 9.643 1.00 0.34 C ATOM 641 O PRO A 43 -3.785 5.946 10.138 1.00 0.32 O ATOM 642 CB PRO A 43 -2.677 7.034 7.285 1.00 0.27 C ATOM 643 CG PRO A 43 -1.787 5.812 6.909 1.00 0.20 C ATOM 644 CD PRO A 43 -0.947 5.448 8.154 1.00 0.19 C ATOM 0 HA PRO A 43 -2.184 8.419 8.911 1.00 0.32 H new ATOM 0 HB2 PRO A 43 -3.730 6.805 7.124 1.00 0.27 H new ATOM 0 HB3 PRO A 43 -2.437 7.891 6.656 1.00 0.27 H new ATOM 0 HG2 PRO A 43 -2.405 4.968 6.603 1.00 0.20 H new ATOM 0 HG3 PRO A 43 -1.139 6.054 6.067 1.00 0.20 H new ATOM 0 HD2 PRO A 43 -1.175 4.441 8.504 1.00 0.19 H new ATOM 0 HD3 PRO A 43 0.120 5.475 7.933 1.00 0.19 H new ATOM 652 N THR A 44 -4.530 7.983 9.831 1.00 0.40 N ATOM 653 CA THR A 44 -5.726 7.682 10.662 1.00 0.44 C ATOM 654 C THR A 44 -6.621 6.710 9.900 1.00 0.39 C ATOM 655 O THR A 44 -6.350 6.353 8.771 1.00 0.37 O ATOM 656 CB THR A 44 -6.505 8.966 10.958 1.00 0.51 C ATOM 657 OG1 THR A 44 -6.754 9.657 9.744 1.00 0.46 O ATOM 658 CG2 THR A 44 -5.692 9.857 11.899 1.00 0.64 C ATOM 0 H THR A 44 -4.481 8.929 9.452 1.00 0.40 H new ATOM 0 HA THR A 44 -5.408 7.241 11.607 1.00 0.44 H new ATOM 0 HB THR A 44 -7.453 8.713 11.433 1.00 0.51 H new ATOM 0 HG1 THR A 44 -7.254 10.478 9.932 1.00 0.46 H new ATOM 0 HG21 THR A 44 -6.249 10.770 12.108 1.00 0.64 H new ATOM 0 HG22 THR A 44 -5.504 9.325 12.832 1.00 0.64 H new ATOM 0 HG23 THR A 44 -4.742 10.111 11.429 1.00 0.64 H new ATOM 666 N GLU A 45 -7.680 6.270 10.512 1.00 0.38 N ATOM 667 CA GLU A 45 -8.586 5.311 9.828 1.00 0.34 C ATOM 668 C GLU A 45 -9.291 5.995 8.660 1.00 0.33 C ATOM 669 O GLU A 45 -9.437 5.423 7.598 1.00 0.27 O ATOM 670 CB GLU A 45 -9.620 4.805 10.834 1.00 0.40 C ATOM 671 CG GLU A 45 -8.928 3.917 11.869 1.00 0.33 C ATOM 672 CD GLU A 45 -9.972 3.288 12.793 1.00 0.97 C ATOM 673 OE1 GLU A 45 -11.149 3.399 12.487 1.00 1.45 O ATOM 674 OE2 GLU A 45 -9.580 2.703 13.790 1.00 1.52 O ATOM 0 H GLU A 45 -7.958 6.533 11.457 1.00 0.38 H new ATOM 0 HA GLU A 45 -8.006 4.474 9.440 1.00 0.34 H new ATOM 0 HB2 GLU A 45 -10.106 5.647 11.327 1.00 0.40 H new ATOM 0 HB3 GLU A 45 -10.400 4.243 10.320 1.00 0.40 H new ATOM 0 HG2 GLU A 45 -8.356 3.137 11.368 1.00 0.33 H new ATOM 0 HG3 GLU A 45 -8.221 4.506 12.452 1.00 0.33 H new ATOM 681 N ALA A 46 -9.732 7.207 8.833 1.00 0.40 N ATOM 682 CA ALA A 46 -10.424 7.895 7.710 1.00 0.39 C ATOM 683 C ALA A 46 -9.429 8.118 6.569 1.00 0.34 C ATOM 684 O ALA A 46 -9.758 7.947 5.412 1.00 0.31 O ATOM 685 CB ALA A 46 -10.991 9.235 8.190 1.00 0.49 C ATOM 0 H ALA A 46 -9.645 7.747 9.694 1.00 0.40 H new ATOM 0 HA ALA A 46 -11.249 7.278 7.353 1.00 0.39 H new ATOM 0 HB1 ALA A 46 -11.496 9.734 7.363 1.00 0.49 H new ATOM 0 HB2 ALA A 46 -11.702 9.061 8.998 1.00 0.49 H new ATOM 0 HB3 ALA A 46 -10.179 9.865 8.552 1.00 0.49 H new ATOM 691 N GLU A 47 -8.207 8.475 6.876 1.00 0.36 N ATOM 692 CA GLU A 47 -7.214 8.674 5.784 1.00 0.35 C ATOM 693 C GLU A 47 -7.103 7.368 5.005 1.00 0.26 C ATOM 694 O GLU A 47 -6.976 7.357 3.796 1.00 0.26 O ATOM 695 CB GLU A 47 -5.841 9.027 6.374 1.00 0.39 C ATOM 696 CG GLU A 47 -5.817 10.496 6.807 1.00 0.48 C ATOM 697 CD GLU A 47 -4.390 10.886 7.195 1.00 0.29 C ATOM 698 OE1 GLU A 47 -3.601 9.992 7.452 1.00 0.96 O ATOM 699 OE2 GLU A 47 -4.110 12.073 7.227 1.00 1.24 O ATOM 0 H GLU A 47 -7.860 8.635 7.822 1.00 0.36 H new ATOM 0 HA GLU A 47 -7.535 9.488 5.134 1.00 0.35 H new ATOM 0 HB2 GLU A 47 -5.627 8.384 7.228 1.00 0.39 H new ATOM 0 HB3 GLU A 47 -5.061 8.845 5.635 1.00 0.39 H new ATOM 0 HG2 GLU A 47 -6.172 11.132 5.996 1.00 0.48 H new ATOM 0 HG3 GLU A 47 -6.490 10.649 7.650 1.00 0.48 H new ATOM 706 N LEU A 48 -7.159 6.262 5.695 1.00 0.20 N ATOM 707 CA LEU A 48 -7.063 4.949 5.003 1.00 0.11 C ATOM 708 C LEU A 48 -8.356 4.688 4.225 1.00 0.07 C ATOM 709 O LEU A 48 -8.331 4.320 3.070 1.00 0.13 O ATOM 710 CB LEU A 48 -6.870 3.836 6.042 1.00 0.09 C ATOM 711 CG LEU A 48 -5.436 3.862 6.599 1.00 0.18 C ATOM 712 CD1 LEU A 48 -5.327 2.857 7.754 1.00 0.25 C ATOM 713 CD2 LEU A 48 -4.418 3.499 5.494 1.00 0.35 C ATOM 0 H LEU A 48 -7.267 6.212 6.708 1.00 0.20 H new ATOM 0 HA LEU A 48 -6.216 4.963 4.317 1.00 0.11 H new ATOM 0 HB2 LEU A 48 -7.585 3.962 6.855 1.00 0.09 H new ATOM 0 HB3 LEU A 48 -7.072 2.866 5.587 1.00 0.09 H new ATOM 0 HG LEU A 48 -5.212 4.866 6.958 1.00 0.18 H new ATOM 0 HD11 LEU A 48 -4.313 2.870 8.153 1.00 0.25 H new ATOM 0 HD12 LEU A 48 -6.031 3.129 8.541 1.00 0.25 H new ATOM 0 HD13 LEU A 48 -5.560 1.857 7.389 1.00 0.25 H new ATOM 0 HD21 LEU A 48 -3.409 3.523 5.907 1.00 0.35 H new ATOM 0 HD22 LEU A 48 -4.632 2.499 5.116 1.00 0.35 H new ATOM 0 HD23 LEU A 48 -4.494 4.219 4.679 1.00 0.35 H new ATOM 725 N GLN A 49 -9.485 4.863 4.852 1.00 0.09 N ATOM 726 CA GLN A 49 -10.773 4.600 4.147 1.00 0.06 C ATOM 727 C GLN A 49 -10.902 5.510 2.922 1.00 0.03 C ATOM 728 O GLN A 49 -11.542 5.165 1.949 1.00 0.15 O ATOM 729 CB GLN A 49 -11.949 4.865 5.098 1.00 0.10 C ATOM 730 CG GLN A 49 -12.073 3.718 6.104 1.00 0.15 C ATOM 731 CD GLN A 49 -13.273 3.970 7.017 1.00 1.21 C ATOM 732 OE1 GLN A 49 -14.313 4.410 6.568 1.00 2.00 O ATOM 733 NE2 GLN A 49 -13.172 3.706 8.291 1.00 2.00 N ATOM 0 H GLN A 49 -9.573 5.176 5.819 1.00 0.09 H new ATOM 0 HA GLN A 49 -10.788 3.559 3.825 1.00 0.06 H new ATOM 0 HB2 GLN A 49 -11.797 5.807 5.624 1.00 0.10 H new ATOM 0 HB3 GLN A 49 -12.873 4.963 4.529 1.00 0.10 H new ATOM 0 HG2 GLN A 49 -12.194 2.771 5.579 1.00 0.15 H new ATOM 0 HG3 GLN A 49 -11.162 3.639 6.697 1.00 0.15 H new ATOM 0 HE21 GLN A 49 -12.299 3.337 8.668 1.00 2.00 H new ATOM 0 HE22 GLN A 49 -13.966 3.869 8.910 1.00 2.00 H new ATOM 742 N ASP A 50 -10.301 6.664 2.957 1.00 0.13 N ATOM 743 CA ASP A 50 -10.398 7.582 1.788 1.00 0.12 C ATOM 744 C ASP A 50 -9.496 7.060 0.676 1.00 0.28 C ATOM 745 O ASP A 50 -9.875 7.004 -0.477 1.00 0.37 O ATOM 746 CB ASP A 50 -9.944 8.984 2.198 1.00 0.28 C ATOM 747 CG ASP A 50 -10.894 9.537 3.261 1.00 1.43 C ATOM 748 OD1 ASP A 50 -11.558 8.741 3.904 1.00 2.39 O ATOM 749 OD2 ASP A 50 -10.942 10.747 3.412 1.00 1.67 O ATOM 0 H ASP A 50 -9.748 7.012 3.741 1.00 0.13 H new ATOM 0 HA ASP A 50 -11.429 7.628 1.438 1.00 0.12 H new ATOM 0 HB2 ASP A 50 -8.926 8.949 2.587 1.00 0.28 H new ATOM 0 HB3 ASP A 50 -9.931 9.642 1.329 1.00 0.28 H new ATOM 890 N GLY A 61 -12.000 -5.266 -3.212 1.00 0.20 N ATOM 891 CA GLY A 61 -11.597 -5.136 -1.778 1.00 0.20 C ATOM 892 C GLY A 61 -10.167 -5.653 -1.582 1.00 0.16 C ATOM 893 O GLY A 61 -9.819 -6.154 -0.532 1.00 0.21 O ATOM 0 HA2 GLY A 61 -11.660 -4.093 -1.468 1.00 0.20 H new ATOM 0 HA3 GLY A 61 -12.285 -5.699 -1.147 1.00 0.20 H new ATOM 897 N THR A 62 -9.336 -5.538 -2.587 1.00 0.12 N ATOM 898 CA THR A 62 -7.922 -6.015 -2.473 1.00 0.15 C ATOM 899 C THR A 62 -6.994 -5.013 -3.170 1.00 0.14 C ATOM 900 O THR A 62 -7.447 -4.100 -3.830 1.00 0.15 O ATOM 901 CB THR A 62 -7.790 -7.378 -3.159 1.00 0.18 C ATOM 902 OG1 THR A 62 -8.355 -7.307 -4.461 1.00 0.21 O ATOM 903 CG2 THR A 62 -8.522 -8.436 -2.338 1.00 0.25 C ATOM 0 H THR A 62 -9.578 -5.130 -3.490 1.00 0.12 H new ATOM 0 HA THR A 62 -7.650 -6.103 -1.421 1.00 0.15 H new ATOM 0 HB THR A 62 -6.737 -7.648 -3.235 1.00 0.18 H new ATOM 0 HG1 THR A 62 -8.270 -8.178 -4.902 1.00 0.21 H new ATOM 0 HG21 THR A 62 -8.428 -9.406 -2.827 1.00 0.25 H new ATOM 0 HG22 THR A 62 -8.086 -8.489 -1.340 1.00 0.25 H new ATOM 0 HG23 THR A 62 -9.576 -8.170 -2.259 1.00 0.25 H new ATOM 911 N ILE A 63 -5.700 -5.176 -3.034 1.00 0.13 N ATOM 912 CA ILE A 63 -4.741 -4.233 -3.694 1.00 0.12 C ATOM 913 C ILE A 63 -3.552 -5.031 -4.239 1.00 0.13 C ATOM 914 O ILE A 63 -3.029 -5.904 -3.576 1.00 0.13 O ATOM 915 CB ILE A 63 -4.237 -3.207 -2.664 1.00 0.09 C ATOM 916 CG1 ILE A 63 -5.389 -2.825 -1.718 1.00 0.10 C ATOM 917 CG2 ILE A 63 -3.704 -1.953 -3.385 1.00 0.10 C ATOM 918 CD1 ILE A 63 -4.914 -1.790 -0.696 1.00 0.15 C ATOM 0 H ILE A 63 -5.265 -5.923 -2.493 1.00 0.13 H new ATOM 0 HA ILE A 63 -5.242 -3.711 -4.509 1.00 0.12 H new ATOM 0 HB ILE A 63 -3.425 -3.646 -2.084 1.00 0.09 H new ATOM 0 HG12 ILE A 63 -6.223 -2.422 -2.293 1.00 0.10 H new ATOM 0 HG13 ILE A 63 -5.756 -3.713 -1.203 1.00 0.10 H new ATOM 0 HG21 ILE A 63 -3.350 -1.233 -2.648 1.00 0.10 H new ATOM 0 HG22 ILE A 63 -2.881 -2.234 -4.043 1.00 0.10 H new ATOM 0 HG23 ILE A 63 -4.504 -1.505 -3.975 1.00 0.10 H new ATOM 0 HD11 ILE A 63 -5.739 -1.528 -0.033 1.00 0.15 H new ATOM 0 HD12 ILE A 63 -4.095 -2.207 -0.110 1.00 0.15 H new ATOM 0 HD13 ILE A 63 -4.569 -0.896 -1.216 1.00 0.15 H new ATOM 930 N ASP A 64 -3.114 -4.729 -5.434 1.00 0.13 N ATOM 931 CA ASP A 64 -1.941 -5.447 -6.030 1.00 0.14 C ATOM 932 C ASP A 64 -0.697 -4.543 -5.901 1.00 0.13 C ATOM 933 O ASP A 64 -0.807 -3.384 -5.552 1.00 0.14 O ATOM 934 CB ASP A 64 -2.254 -5.779 -7.497 1.00 0.17 C ATOM 935 CG ASP A 64 -2.477 -4.490 -8.296 1.00 0.24 C ATOM 936 OD1 ASP A 64 -1.996 -3.457 -7.869 1.00 0.09 O ATOM 937 OD2 ASP A 64 -3.127 -4.564 -9.326 1.00 0.51 O ATOM 0 H ASP A 64 -3.521 -4.009 -6.030 1.00 0.13 H new ATOM 0 HA ASP A 64 -1.742 -6.383 -5.508 1.00 0.14 H new ATOM 0 HB2 ASP A 64 -1.432 -6.347 -7.932 1.00 0.17 H new ATOM 0 HB3 ASP A 64 -3.142 -6.409 -7.553 1.00 0.17 H new ATOM 942 N PHE A 65 0.489 -5.062 -6.125 1.00 0.13 N ATOM 943 CA PHE A 65 1.725 -4.219 -5.953 1.00 0.13 C ATOM 944 C PHE A 65 1.787 -3.009 -6.919 1.00 0.11 C ATOM 945 O PHE A 65 2.147 -1.938 -6.474 1.00 0.09 O ATOM 946 CB PHE A 65 2.993 -5.088 -6.077 1.00 0.13 C ATOM 947 CG PHE A 65 4.211 -4.293 -5.647 1.00 0.13 C ATOM 948 CD1 PHE A 65 4.340 -3.857 -4.318 1.00 0.60 C ATOM 949 CD2 PHE A 65 5.217 -3.993 -6.577 1.00 0.60 C ATOM 950 CE1 PHE A 65 5.470 -3.127 -3.927 1.00 0.58 C ATOM 951 CE2 PHE A 65 6.345 -3.265 -6.183 1.00 0.61 C ATOM 952 CZ PHE A 65 6.472 -2.831 -4.860 1.00 0.14 C ATOM 0 H PHE A 65 0.657 -6.025 -6.417 1.00 0.13 H new ATOM 0 HA PHE A 65 1.674 -3.799 -4.949 1.00 0.13 H new ATOM 0 HB2 PHE A 65 2.894 -5.980 -5.459 1.00 0.13 H new ATOM 0 HB3 PHE A 65 3.113 -5.425 -7.107 1.00 0.13 H new ATOM 0 HD1 PHE A 65 3.568 -4.084 -3.598 1.00 0.60 H new ATOM 0 HD2 PHE A 65 5.121 -4.325 -7.600 1.00 0.60 H new ATOM 0 HE1 PHE A 65 5.569 -2.792 -2.905 1.00 0.58 H new ATOM 0 HE2 PHE A 65 7.119 -3.038 -6.902 1.00 0.61 H new ATOM 0 HZ PHE A 65 7.342 -2.268 -4.557 1.00 0.14 H new ATOM 962 N PRO A 66 1.451 -3.148 -8.193 1.00 0.13 N ATOM 963 CA PRO A 66 1.511 -1.984 -9.095 1.00 0.12 C ATOM 964 C PRO A 66 0.644 -0.855 -8.519 1.00 0.13 C ATOM 965 O PRO A 66 1.079 0.273 -8.390 1.00 0.15 O ATOM 966 CB PRO A 66 0.976 -2.490 -10.453 1.00 0.10 C ATOM 967 CG PRO A 66 0.708 -4.015 -10.303 1.00 0.12 C ATOM 968 CD PRO A 66 0.996 -4.401 -8.832 1.00 0.18 C ATOM 0 HA PRO A 66 2.517 -1.580 -9.209 1.00 0.12 H new ATOM 0 HB2 PRO A 66 0.061 -1.964 -10.726 1.00 0.10 H new ATOM 0 HB3 PRO A 66 1.700 -2.303 -11.246 1.00 0.10 H new ATOM 0 HG2 PRO A 66 -0.324 -4.250 -10.565 1.00 0.12 H new ATOM 0 HG3 PRO A 66 1.346 -4.584 -10.980 1.00 0.12 H new ATOM 0 HD2 PRO A 66 0.103 -4.792 -8.344 1.00 0.18 H new ATOM 0 HD3 PRO A 66 1.759 -5.177 -8.769 1.00 0.18 H new ATOM 976 N GLU A 67 -0.574 -1.155 -8.161 1.00 0.13 N ATOM 977 CA GLU A 67 -1.456 -0.107 -7.586 1.00 0.15 C ATOM 978 C GLU A 67 -0.882 0.354 -6.244 1.00 0.17 C ATOM 979 O GLU A 67 -1.024 1.498 -5.861 1.00 0.19 O ATOM 980 CB GLU A 67 -2.863 -0.672 -7.378 1.00 0.17 C ATOM 981 CG GLU A 67 -3.477 -1.035 -8.733 1.00 0.16 C ATOM 982 CD GLU A 67 -4.701 -1.929 -8.519 1.00 0.21 C ATOM 983 OE1 GLU A 67 -4.584 -2.891 -7.779 1.00 0.28 O ATOM 984 OE2 GLU A 67 -5.733 -1.634 -9.100 1.00 0.20 O ATOM 0 H GLU A 67 -0.994 -2.081 -8.243 1.00 0.13 H new ATOM 0 HA GLU A 67 -1.510 0.739 -8.271 1.00 0.15 H new ATOM 0 HB2 GLU A 67 -2.821 -1.554 -6.739 1.00 0.17 H new ATOM 0 HB3 GLU A 67 -3.489 0.061 -6.869 1.00 0.17 H new ATOM 0 HG2 GLU A 67 -3.764 -0.130 -9.268 1.00 0.16 H new ATOM 0 HG3 GLU A 67 -2.741 -1.550 -9.351 1.00 0.16 H new ATOM 991 N PHE A 68 -0.222 -0.522 -5.528 1.00 0.16 N ATOM 992 CA PHE A 68 0.364 -0.109 -4.222 1.00 0.18 C ATOM 993 C PHE A 68 1.414 0.967 -4.494 1.00 0.19 C ATOM 994 O PHE A 68 1.566 1.905 -3.737 1.00 0.21 O ATOM 995 CB PHE A 68 1.010 -1.310 -3.516 1.00 0.16 C ATOM 996 CG PHE A 68 1.414 -0.920 -2.111 1.00 0.19 C ATOM 997 CD1 PHE A 68 0.457 -0.898 -1.087 1.00 0.20 C ATOM 998 CD2 PHE A 68 2.745 -0.583 -1.828 1.00 0.20 C ATOM 999 CE1 PHE A 68 0.831 -0.540 0.216 1.00 0.22 C ATOM 1000 CE2 PHE A 68 3.116 -0.224 -0.525 1.00 0.23 C ATOM 1001 CZ PHE A 68 2.160 -0.203 0.495 1.00 0.24 C ATOM 0 H PHE A 68 -0.066 -1.495 -5.790 1.00 0.16 H new ATOM 0 HA PHE A 68 -0.419 0.280 -3.570 1.00 0.18 H new ATOM 0 HB2 PHE A 68 0.310 -2.145 -3.485 1.00 0.16 H new ATOM 0 HB3 PHE A 68 1.883 -1.646 -4.075 1.00 0.16 H new ATOM 0 HD1 PHE A 68 -0.569 -1.157 -1.302 1.00 0.20 H new ATOM 0 HD2 PHE A 68 3.485 -0.600 -2.614 1.00 0.20 H new ATOM 0 HE1 PHE A 68 0.093 -0.524 1.004 1.00 0.22 H new ATOM 0 HE2 PHE A 68 4.141 0.037 -0.309 1.00 0.23 H new ATOM 0 HZ PHE A 68 2.447 0.073 1.499 1.00 0.24 H new ATOM 1011 N LEU A 69 2.128 0.845 -5.582 1.00 0.17 N ATOM 1012 CA LEU A 69 3.153 1.873 -5.913 1.00 0.19 C ATOM 1013 C LEU A 69 2.457 3.177 -6.313 1.00 0.20 C ATOM 1014 O LEU A 69 3.027 4.246 -6.225 1.00 0.21 O ATOM 1015 CB LEU A 69 4.008 1.397 -7.093 1.00 0.16 C ATOM 1016 CG LEU A 69 4.870 0.191 -6.697 1.00 0.15 C ATOM 1017 CD1 LEU A 69 5.671 -0.267 -7.922 1.00 0.14 C ATOM 1018 CD2 LEU A 69 5.841 0.573 -5.563 1.00 0.18 C ATOM 0 H LEU A 69 2.045 0.081 -6.252 1.00 0.17 H new ATOM 0 HA LEU A 69 3.785 2.034 -5.040 1.00 0.19 H new ATOM 0 HB2 LEU A 69 3.363 1.128 -7.929 1.00 0.16 H new ATOM 0 HB3 LEU A 69 4.649 2.210 -7.434 1.00 0.16 H new ATOM 0 HG LEU A 69 4.224 -0.613 -6.346 1.00 0.15 H new ATOM 0 HD11 LEU A 69 6.288 -1.124 -7.653 1.00 0.14 H new ATOM 0 HD12 LEU A 69 4.985 -0.550 -8.720 1.00 0.14 H new ATOM 0 HD13 LEU A 69 6.310 0.547 -8.264 1.00 0.14 H new ATOM 0 HD21 LEU A 69 6.445 -0.293 -5.294 1.00 0.18 H new ATOM 0 HD22 LEU A 69 6.493 1.380 -5.898 1.00 0.18 H new ATOM 0 HD23 LEU A 69 5.273 0.903 -4.693 1.00 0.18 H new ATOM 1030 N THR A 70 1.234 3.101 -6.767 1.00 0.21 N ATOM 1031 CA THR A 70 0.522 4.339 -7.188 1.00 0.22 C ATOM 1032 C THR A 70 0.053 5.119 -5.957 1.00 0.28 C ATOM 1033 O THR A 70 0.062 6.334 -5.948 1.00 0.21 O ATOM 1034 CB THR A 70 -0.679 3.971 -8.075 1.00 0.22 C ATOM 1035 OG1 THR A 70 -0.207 3.392 -9.284 1.00 0.19 O ATOM 1036 CG2 THR A 70 -1.487 5.228 -8.396 1.00 0.26 C ATOM 0 H THR A 70 0.700 2.237 -6.864 1.00 0.21 H new ATOM 0 HA THR A 70 1.205 4.968 -7.759 1.00 0.22 H new ATOM 0 HB THR A 70 -1.315 3.259 -7.549 1.00 0.22 H new ATOM 0 HG1 THR A 70 -0.969 3.154 -9.852 1.00 0.19 H new ATOM 0 HG21 THR A 70 -2.337 4.963 -9.025 1.00 0.26 H new ATOM 0 HG22 THR A 70 -1.846 5.676 -7.470 1.00 0.26 H new ATOM 0 HG23 THR A 70 -0.855 5.942 -8.923 1.00 0.26 H new ATOM 1044 N MET A 71 -0.351 4.447 -4.908 1.00 0.41 N ATOM 1045 CA MET A 71 -0.805 5.197 -3.693 1.00 0.49 C ATOM 1046 C MET A 71 0.418 5.789 -2.982 1.00 0.48 C ATOM 1047 O MET A 71 0.369 6.881 -2.445 1.00 0.48 O ATOM 1048 CB MET A 71 -1.659 4.292 -2.754 1.00 0.71 C ATOM 1049 CG MET A 71 -0.821 3.425 -1.785 1.00 1.04 C ATOM 1050 SD MET A 71 -1.853 2.974 -0.363 1.00 1.13 S ATOM 1051 CE MET A 71 -2.777 1.614 -1.130 1.00 0.91 C ATOM 0 H MET A 71 -0.387 3.430 -4.838 1.00 0.41 H new ATOM 0 HA MET A 71 -1.457 6.017 -3.994 1.00 0.49 H new ATOM 0 HB2 MET A 71 -2.332 4.922 -2.172 1.00 0.71 H new ATOM 0 HB3 MET A 71 -2.282 3.638 -3.364 1.00 0.71 H new ATOM 0 HG2 MET A 71 -0.465 2.528 -2.293 1.00 1.04 H new ATOM 0 HG3 MET A 71 0.060 3.974 -1.453 1.00 1.04 H new ATOM 0 HE1 MET A 71 -3.835 1.708 -0.884 1.00 0.91 H new ATOM 0 HE2 MET A 71 -2.652 1.654 -2.212 1.00 0.91 H new ATOM 0 HE3 MET A 71 -2.401 0.662 -0.756 1.00 0.91 H new ATOM 1061 N MET A 72 1.520 5.087 -2.980 1.00 0.49 N ATOM 1062 CA MET A 72 2.740 5.621 -2.316 1.00 0.51 C ATOM 1063 C MET A 72 3.305 6.777 -3.142 1.00 0.42 C ATOM 1064 O MET A 72 3.758 7.769 -2.607 1.00 0.48 O ATOM 1065 CB MET A 72 3.792 4.511 -2.200 1.00 0.56 C ATOM 1066 CG MET A 72 3.286 3.386 -1.274 1.00 0.63 C ATOM 1067 SD MET A 72 4.684 2.668 -0.375 1.00 1.27 S ATOM 1068 CE MET A 72 4.737 3.889 0.959 1.00 0.62 C ATOM 0 H MET A 72 1.626 4.168 -3.410 1.00 0.49 H new ATOM 0 HA MET A 72 2.482 5.978 -1.319 1.00 0.51 H new ATOM 0 HB2 MET A 72 4.013 4.106 -3.188 1.00 0.56 H new ATOM 0 HB3 MET A 72 4.722 4.922 -1.808 1.00 0.56 H new ATOM 0 HG2 MET A 72 2.553 3.781 -0.571 1.00 0.63 H new ATOM 0 HG3 MET A 72 2.783 2.617 -1.860 1.00 0.63 H new ATOM 0 HE1 MET A 72 5.734 3.903 1.400 1.00 0.62 H new ATOM 0 HE2 MET A 72 4.503 4.876 0.559 1.00 0.62 H new ATOM 0 HE3 MET A 72 4.006 3.625 1.723 1.00 0.62 H new ATOM 1078 N ALA A 73 3.280 6.664 -4.446 1.00 0.30 N ATOM 1079 CA ALA A 73 3.816 7.765 -5.288 1.00 0.23 C ATOM 1080 C ALA A 73 2.944 9.008 -5.105 1.00 0.20 C ATOM 1081 O ALA A 73 3.398 10.124 -5.260 1.00 0.20 O ATOM 1082 CB ALA A 73 3.807 7.340 -6.758 1.00 0.17 C ATOM 0 H ALA A 73 2.913 5.861 -4.957 1.00 0.30 H new ATOM 0 HA ALA A 73 4.840 7.990 -4.988 1.00 0.23 H new ATOM 0 HB1 ALA A 73 4.201 8.149 -7.373 1.00 0.17 H new ATOM 0 HB2 ALA A 73 4.428 6.453 -6.884 1.00 0.17 H new ATOM 0 HB3 ALA A 73 2.786 7.114 -7.065 1.00 0.17 H new ATOM 1222 N GLU A 82 12.682 15.169 -2.130 1.00 0.42 N ATOM 1223 CA GLU A 82 13.768 15.510 -3.082 1.00 0.41 C ATOM 1224 C GLU A 82 13.546 16.925 -3.638 1.00 0.38 C ATOM 1225 O GLU A 82 14.475 17.685 -3.824 1.00 0.38 O ATOM 1226 CB GLU A 82 13.786 14.433 -4.193 1.00 0.56 C ATOM 1227 CG GLU A 82 13.091 14.918 -5.475 1.00 1.61 C ATOM 1228 CD GLU A 82 12.956 13.749 -6.452 1.00 1.45 C ATOM 1229 OE1 GLU A 82 12.006 12.996 -6.317 1.00 1.76 O ATOM 1230 OE2 GLU A 82 13.805 13.626 -7.320 1.00 1.74 O ATOM 0 HA GLU A 82 14.740 15.515 -2.589 1.00 0.41 H new ATOM 0 HB2 GLU A 82 14.817 14.163 -4.420 1.00 0.56 H new ATOM 0 HB3 GLU A 82 13.292 13.531 -3.832 1.00 0.56 H new ATOM 0 HG2 GLU A 82 12.108 15.324 -5.238 1.00 1.61 H new ATOM 0 HG3 GLU A 82 13.666 15.723 -5.931 1.00 1.61 H new ATOM 1237 N GLU A 83 12.320 17.276 -3.898 1.00 0.38 N ATOM 1238 CA GLU A 83 12.020 18.634 -4.435 1.00 0.40 C ATOM 1239 C GLU A 83 12.258 19.677 -3.342 1.00 0.35 C ATOM 1240 O GLU A 83 12.421 20.849 -3.613 1.00 0.38 O ATOM 1241 CB GLU A 83 10.554 18.691 -4.901 1.00 0.50 C ATOM 1242 CG GLU A 83 10.423 18.076 -6.299 1.00 1.08 C ATOM 1243 CD GLU A 83 8.976 18.203 -6.777 1.00 1.10 C ATOM 1244 OE1 GLU A 83 8.230 18.941 -6.152 1.00 0.57 O ATOM 1245 OE2 GLU A 83 8.638 17.561 -7.758 1.00 2.39 O ATOM 0 H GLU A 83 11.505 16.677 -3.761 1.00 0.38 H new ATOM 0 HA GLU A 83 12.673 18.845 -5.282 1.00 0.40 H new ATOM 0 HB2 GLU A 83 9.919 18.153 -4.197 1.00 0.50 H new ATOM 0 HB3 GLU A 83 10.209 19.725 -4.916 1.00 0.50 H new ATOM 0 HG2 GLU A 83 11.093 18.581 -6.995 1.00 1.08 H new ATOM 0 HG3 GLU A 83 10.719 17.027 -6.276 1.00 1.08 H new ATOM 1252 N GLU A 84 12.273 19.257 -2.110 1.00 0.31 N ATOM 1253 CA GLU A 84 12.496 20.212 -0.989 1.00 0.30 C ATOM 1254 C GLU A 84 13.994 20.443 -0.803 1.00 0.25 C ATOM 1255 O GLU A 84 14.462 21.562 -0.750 1.00 0.45 O ATOM 1256 CB GLU A 84 11.900 19.626 0.300 1.00 0.29 C ATOM 1257 CG GLU A 84 10.380 19.803 0.287 1.00 0.26 C ATOM 1258 CD GLU A 84 9.772 19.100 1.501 1.00 1.05 C ATOM 1259 OE1 GLU A 84 10.181 19.409 2.608 1.00 1.51 O ATOM 1260 OE2 GLU A 84 8.908 18.262 1.301 1.00 2.13 O ATOM 0 H GLU A 84 12.139 18.286 -1.828 1.00 0.31 H new ATOM 0 HA GLU A 84 12.013 21.162 -1.216 1.00 0.30 H new ATOM 0 HB2 GLU A 84 12.153 18.569 0.382 1.00 0.29 H new ATOM 0 HB3 GLU A 84 12.327 20.125 1.170 1.00 0.29 H new ATOM 0 HG2 GLU A 84 10.127 20.863 0.303 1.00 0.26 H new ATOM 0 HG3 GLU A 84 9.963 19.390 -0.632 1.00 0.26 H new ATOM 1267 N ILE A 85 14.747 19.392 -0.708 1.00 0.05 N ATOM 1268 CA ILE A 85 16.221 19.546 -0.526 1.00 0.13 C ATOM 1269 C ILE A 85 16.814 20.226 -1.768 1.00 0.10 C ATOM 1270 O ILE A 85 17.733 21.014 -1.673 1.00 0.08 O ATOM 1271 CB ILE A 85 16.869 18.162 -0.318 1.00 0.22 C ATOM 1272 CG1 ILE A 85 16.696 17.719 1.143 1.00 0.31 C ATOM 1273 CG2 ILE A 85 18.366 18.242 -0.653 1.00 0.23 C ATOM 1274 CD1 ILE A 85 17.222 16.294 1.308 1.00 0.35 C ATOM 0 H ILE A 85 14.412 18.429 -0.748 1.00 0.05 H new ATOM 0 HA ILE A 85 16.420 20.161 0.352 1.00 0.13 H new ATOM 0 HB ILE A 85 16.385 17.438 -0.973 1.00 0.22 H new ATOM 0 HG12 ILE A 85 17.235 18.396 1.806 1.00 0.31 H new ATOM 0 HG13 ILE A 85 15.644 17.765 1.426 1.00 0.31 H new ATOM 0 HG21 ILE A 85 18.824 17.264 -0.506 1.00 0.23 H new ATOM 0 HG22 ILE A 85 18.491 18.549 -1.691 1.00 0.23 H new ATOM 0 HG23 ILE A 85 18.847 18.970 0.001 1.00 0.23 H new ATOM 0 HD11 ILE A 85 17.100 15.979 2.344 1.00 0.35 H new ATOM 0 HD12 ILE A 85 16.664 15.622 0.656 1.00 0.35 H new ATOM 0 HD13 ILE A 85 18.278 16.263 1.042 1.00 0.35 H new ATOM 1286 N ARG A 86 16.312 19.916 -2.928 1.00 0.09 N ATOM 1287 CA ARG A 86 16.871 20.538 -4.160 1.00 0.05 C ATOM 1288 C ARG A 86 16.628 22.049 -4.135 1.00 0.10 C ATOM 1289 O ARG A 86 17.552 22.829 -4.251 1.00 0.24 O ATOM 1290 CB ARG A 86 16.195 19.931 -5.391 1.00 0.07 C ATOM 1291 CG ARG A 86 16.782 20.559 -6.656 1.00 0.65 C ATOM 1292 CD ARG A 86 16.289 19.786 -7.881 1.00 0.59 C ATOM 1293 NE ARG A 86 14.804 19.666 -7.826 1.00 1.02 N ATOM 1294 CZ ARG A 86 14.139 19.305 -8.890 1.00 1.72 C ATOM 1295 NH1 ARG A 86 14.774 19.051 -10.002 1.00 1.67 N ATOM 1296 NH2 ARG A 86 12.840 19.198 -8.840 1.00 2.80 N ATOM 0 H ARG A 86 15.543 19.263 -3.078 1.00 0.09 H new ATOM 0 HA ARG A 86 17.943 20.348 -4.203 1.00 0.05 H new ATOM 0 HB2 ARG A 86 16.344 18.851 -5.405 1.00 0.07 H new ATOM 0 HB3 ARG A 86 15.120 20.104 -5.351 1.00 0.07 H new ATOM 0 HG2 ARG A 86 16.484 21.605 -6.728 1.00 0.65 H new ATOM 0 HG3 ARG A 86 17.871 20.540 -6.614 1.00 0.65 H new ATOM 0 HD2 ARG A 86 16.590 20.300 -8.794 1.00 0.59 H new ATOM 0 HD3 ARG A 86 16.744 18.796 -7.907 1.00 0.59 H new ATOM 0 HE ARG A 86 14.308 19.866 -6.958 1.00 1.02 H new ATOM 0 HH11 ARG A 86 15.790 19.135 -10.040 1.00 1.67 H new ATOM 0 HH12 ARG A 86 14.254 18.769 -10.833 1.00 1.67 H new ATOM 0 HH21 ARG A 86 12.345 19.396 -7.970 1.00 2.80 H new ATOM 0 HH22 ARG A 86 12.319 18.916 -9.670 1.00 2.80 H new ATOM 1310 N GLU A 87 15.400 22.481 -3.998 1.00 0.28 N ATOM 1311 CA GLU A 87 15.155 23.952 -3.990 1.00 0.37 C ATOM 1312 C GLU A 87 15.994 24.615 -2.894 1.00 0.31 C ATOM 1313 O GLU A 87 16.257 25.799 -2.944 1.00 0.30 O ATOM 1314 CB GLU A 87 13.653 24.290 -3.836 1.00 0.58 C ATOM 1315 CG GLU A 87 13.052 23.739 -2.535 1.00 1.89 C ATOM 1316 CD GLU A 87 13.628 24.489 -1.332 1.00 3.52 C ATOM 1317 OE1 GLU A 87 13.266 25.642 -1.152 1.00 3.80 O ATOM 1318 OE2 GLU A 87 14.418 23.904 -0.612 1.00 4.66 O ATOM 0 H GLU A 87 14.574 21.892 -3.894 1.00 0.28 H new ATOM 0 HA GLU A 87 15.463 24.352 -4.956 1.00 0.37 H new ATOM 0 HB2 GLU A 87 13.524 25.372 -3.861 1.00 0.58 H new ATOM 0 HB3 GLU A 87 13.104 23.883 -4.686 1.00 0.58 H new ATOM 0 HG2 GLU A 87 11.967 23.843 -2.553 1.00 1.89 H new ATOM 0 HG3 GLU A 87 13.268 22.674 -2.447 1.00 1.89 H new ATOM 1325 N ALA A 88 16.456 23.868 -1.923 1.00 0.28 N ATOM 1326 CA ALA A 88 17.310 24.484 -0.877 1.00 0.24 C ATOM 1327 C ALA A 88 18.704 24.600 -1.464 1.00 0.19 C ATOM 1328 O ALA A 88 19.335 25.628 -1.414 1.00 0.20 O ATOM 1329 CB ALA A 88 17.357 23.601 0.369 1.00 0.23 C ATOM 0 H ALA A 88 16.278 22.870 -1.814 1.00 0.28 H new ATOM 0 HA ALA A 88 16.913 25.456 -0.584 1.00 0.24 H new ATOM 0 HB1 ALA A 88 17.988 24.070 1.124 1.00 0.23 H new ATOM 0 HB2 ALA A 88 16.349 23.477 0.765 1.00 0.23 H new ATOM 0 HB3 ALA A 88 17.767 22.625 0.108 1.00 0.23 H new ATOM 1335 N PHE A 89 19.179 23.552 -2.060 1.00 0.16 N ATOM 1336 CA PHE A 89 20.519 23.626 -2.682 1.00 0.16 C ATOM 1337 C PHE A 89 20.475 24.740 -3.728 1.00 0.19 C ATOM 1338 O PHE A 89 21.484 25.320 -4.077 1.00 0.21 O ATOM 1339 CB PHE A 89 20.871 22.275 -3.327 1.00 0.16 C ATOM 1340 CG PHE A 89 21.519 21.362 -2.298 1.00 0.13 C ATOM 1341 CD1 PHE A 89 22.788 21.676 -1.789 1.00 0.14 C ATOM 1342 CD2 PHE A 89 20.852 20.209 -1.835 1.00 0.13 C ATOM 1343 CE1 PHE A 89 23.378 20.848 -0.844 1.00 0.16 C ATOM 1344 CE2 PHE A 89 21.466 19.382 -0.871 1.00 0.16 C ATOM 1345 CZ PHE A 89 22.739 19.717 -0.387 1.00 0.17 C ATOM 0 H PHE A 89 18.702 22.654 -2.143 1.00 0.16 H new ATOM 0 HA PHE A 89 21.287 23.843 -1.939 1.00 0.16 H new ATOM 0 HB2 PHE A 89 19.971 21.807 -3.725 1.00 0.16 H new ATOM 0 HB3 PHE A 89 21.548 22.429 -4.167 1.00 0.16 H new ATOM 0 HD1 PHE A 89 23.305 22.560 -2.132 1.00 0.14 H new ATOM 0 HD2 PHE A 89 19.873 19.960 -2.218 1.00 0.13 H new ATOM 0 HE1 PHE A 89 24.357 21.095 -0.460 1.00 0.16 H new ATOM 0 HE2 PHE A 89 20.960 18.499 -0.509 1.00 0.16 H new ATOM 0 HZ PHE A 89 23.219 19.086 0.346 1.00 0.17 H new ATOM 1355 N ARG A 90 19.298 25.072 -4.202 1.00 0.22 N ATOM 1356 CA ARG A 90 19.185 26.181 -5.188 1.00 0.25 C ATOM 1357 C ARG A 90 19.437 27.487 -4.436 1.00 0.20 C ATOM 1358 O ARG A 90 20.204 28.328 -4.858 1.00 0.22 O ATOM 1359 CB ARG A 90 17.783 26.185 -5.803 1.00 0.28 C ATOM 1360 CG ARG A 90 17.786 27.036 -7.074 1.00 0.57 C ATOM 1361 CD ARG A 90 16.388 27.039 -7.692 1.00 0.55 C ATOM 1362 NE ARG A 90 16.470 27.538 -9.094 1.00 1.23 N ATOM 1363 CZ ARG A 90 15.467 27.361 -9.908 1.00 1.02 C ATOM 1364 NH1 ARG A 90 14.393 26.747 -9.497 1.00 1.89 N ATOM 1365 NH2 ARG A 90 15.539 27.801 -11.135 1.00 1.50 N ATOM 0 H ARG A 90 18.418 24.623 -3.948 1.00 0.22 H new ATOM 0 HA ARG A 90 19.908 26.061 -5.995 1.00 0.25 H new ATOM 0 HB2 ARG A 90 17.473 25.166 -6.036 1.00 0.28 H new ATOM 0 HB3 ARG A 90 17.062 26.582 -5.088 1.00 0.28 H new ATOM 0 HG2 ARG A 90 18.094 28.055 -6.841 1.00 0.57 H new ATOM 0 HG3 ARG A 90 18.509 26.640 -7.787 1.00 0.57 H new ATOM 0 HD2 ARG A 90 15.969 26.033 -7.676 1.00 0.55 H new ATOM 0 HD3 ARG A 90 15.721 27.672 -7.107 1.00 0.55 H new ATOM 0 HE ARG A 90 17.310 28.018 -9.417 1.00 1.23 H new ATOM 0 HH11 ARG A 90 14.337 26.405 -8.538 1.00 1.89 H new ATOM 0 HH12 ARG A 90 13.609 26.609 -10.135 1.00 1.89 H new ATOM 0 HH21 ARG A 90 16.379 28.282 -11.456 1.00 1.50 H new ATOM 0 HH22 ARG A 90 14.755 27.663 -11.773 1.00 1.50 H new ATOM 1379 N VAL A 91 18.815 27.637 -3.296 1.00 0.15 N ATOM 1380 CA VAL A 91 19.036 28.864 -2.468 1.00 0.13 C ATOM 1381 C VAL A 91 20.544 29.038 -2.299 1.00 0.17 C ATOM 1382 O VAL A 91 21.034 30.092 -1.942 1.00 0.19 O ATOM 1383 CB VAL A 91 18.379 28.655 -1.074 1.00 0.10 C ATOM 1384 CG1 VAL A 91 19.141 29.407 0.030 1.00 0.09 C ATOM 1385 CG2 VAL A 91 16.924 29.147 -1.101 1.00 0.11 C ATOM 0 H VAL A 91 18.161 26.962 -2.900 1.00 0.15 H new ATOM 0 HA VAL A 91 18.600 29.743 -2.943 1.00 0.13 H new ATOM 0 HB VAL A 91 18.412 27.588 -0.852 1.00 0.10 H new ATOM 0 HG11 VAL A 91 18.653 29.237 0.990 1.00 0.09 H new ATOM 0 HG12 VAL A 91 20.168 29.043 0.076 1.00 0.09 H new ATOM 0 HG13 VAL A 91 19.144 30.474 -0.192 1.00 0.09 H new ATOM 0 HG21 VAL A 91 16.471 28.997 -0.121 1.00 0.11 H new ATOM 0 HG22 VAL A 91 16.903 30.207 -1.352 1.00 0.11 H new ATOM 0 HG23 VAL A 91 16.364 28.586 -1.849 1.00 0.11 H new ATOM 1395 N PHE A 92 21.268 27.978 -2.497 1.00 0.19 N ATOM 1396 CA PHE A 92 22.738 28.000 -2.293 1.00 0.23 C ATOM 1397 C PHE A 92 23.500 28.150 -3.609 1.00 0.30 C ATOM 1398 O PHE A 92 24.670 28.475 -3.630 1.00 0.38 O ATOM 1399 CB PHE A 92 23.081 26.690 -1.576 1.00 0.20 C ATOM 1400 CG PHE A 92 22.993 26.925 -0.096 1.00 0.14 C ATOM 1401 CD1 PHE A 92 21.785 26.744 0.601 1.00 0.07 C ATOM 1402 CD2 PHE A 92 24.134 27.347 0.566 1.00 0.17 C ATOM 1403 CE1 PHE A 92 21.731 26.993 1.966 1.00 0.10 C ATOM 1404 CE2 PHE A 92 24.083 27.593 1.944 1.00 0.17 C ATOM 1405 CZ PHE A 92 22.873 27.418 2.643 1.00 0.16 C ATOM 0 H PHE A 92 20.895 27.078 -2.798 1.00 0.19 H new ATOM 0 HA PHE A 92 23.038 28.863 -1.699 1.00 0.23 H new ATOM 0 HB2 PHE A 92 22.392 25.901 -1.877 1.00 0.20 H new ATOM 0 HB3 PHE A 92 24.083 26.359 -1.849 1.00 0.20 H new ATOM 0 HD1 PHE A 92 20.902 26.412 0.076 1.00 0.07 H new ATOM 0 HD2 PHE A 92 25.057 27.486 0.023 1.00 0.17 H new ATOM 0 HE1 PHE A 92 20.804 26.857 2.503 1.00 0.10 H new ATOM 0 HE2 PHE A 92 24.970 27.916 2.469 1.00 0.17 H new ATOM 0 HZ PHE A 92 22.830 27.613 3.704 1.00 0.16 H new ATOM 1415 N ASP A 93 22.839 27.963 -4.695 1.00 0.28 N ATOM 1416 CA ASP A 93 23.495 28.125 -6.027 1.00 0.34 C ATOM 1417 C ASP A 93 23.337 29.584 -6.470 1.00 0.46 C ATOM 1418 O ASP A 93 22.643 29.890 -7.417 1.00 0.50 O ATOM 1419 CB ASP A 93 22.821 27.197 -7.042 1.00 0.31 C ATOM 1420 CG ASP A 93 23.388 27.465 -8.438 1.00 0.38 C ATOM 1421 OD1 ASP A 93 24.277 28.293 -8.547 1.00 1.31 O ATOM 1422 OD2 ASP A 93 22.924 26.833 -9.372 1.00 0.63 O ATOM 0 H ASP A 93 21.854 27.700 -4.732 1.00 0.28 H new ATOM 0 HA ASP A 93 24.553 27.869 -5.963 1.00 0.34 H new ATOM 0 HB2 ASP A 93 22.987 26.156 -6.765 1.00 0.31 H new ATOM 0 HB3 ASP A 93 21.743 27.360 -7.039 1.00 0.31 H new ATOM 1489 N TYR A 99 26.486 24.125 -9.075 1.00 0.15 N ATOM 1490 CA TYR A 99 27.619 23.634 -8.224 1.00 0.18 C ATOM 1491 C TYR A 99 27.920 24.625 -7.093 1.00 0.17 C ATOM 1492 O TYR A 99 27.866 25.826 -7.264 1.00 0.15 O ATOM 1493 CB TYR A 99 28.870 23.484 -9.090 1.00 0.17 C ATOM 1494 CG TYR A 99 28.682 22.346 -10.062 1.00 0.21 C ATOM 1495 CD1 TYR A 99 27.988 22.556 -11.257 1.00 0.63 C ATOM 1496 CD2 TYR A 99 29.210 21.083 -9.771 1.00 0.96 C ATOM 1497 CE1 TYR A 99 27.817 21.501 -12.161 1.00 0.59 C ATOM 1498 CE2 TYR A 99 29.040 20.029 -10.674 1.00 1.01 C ATOM 1499 CZ TYR A 99 28.342 20.237 -11.871 1.00 0.31 C ATOM 1500 OH TYR A 99 28.176 19.198 -12.761 1.00 0.37 O ATOM 0 HA TYR A 99 27.335 22.675 -7.790 1.00 0.18 H new ATOM 0 HB2 TYR A 99 29.062 24.410 -9.632 1.00 0.17 H new ATOM 0 HB3 TYR A 99 29.740 23.297 -8.460 1.00 0.17 H new ATOM 0 HD1 TYR A 99 27.584 23.532 -11.483 1.00 0.63 H new ATOM 0 HD2 TYR A 99 29.749 20.922 -8.849 1.00 0.96 H new ATOM 0 HE1 TYR A 99 27.279 21.663 -13.083 1.00 0.59 H new ATOM 0 HE2 TYR A 99 29.447 19.054 -10.449 1.00 1.01 H new ATOM 0 HH TYR A 99 28.603 18.391 -12.405 1.00 0.37 H new ATOM 1510 N ILE A 100 28.283 24.107 -5.949 1.00 0.20 N ATOM 1511 CA ILE A 100 28.653 24.972 -4.781 1.00 0.22 C ATOM 1512 C ILE A 100 29.851 24.323 -4.085 1.00 0.19 C ATOM 1513 O ILE A 100 30.172 23.178 -4.335 1.00 0.16 O ATOM 1514 CB ILE A 100 27.493 25.104 -3.769 1.00 0.28 C ATOM 1515 CG1 ILE A 100 27.067 23.706 -3.283 1.00 0.35 C ATOM 1516 CG2 ILE A 100 26.284 25.845 -4.396 1.00 0.23 C ATOM 1517 CD1 ILE A 100 25.788 23.800 -2.454 1.00 0.31 C ATOM 0 H ILE A 100 28.341 23.105 -5.768 1.00 0.20 H new ATOM 0 HA ILE A 100 28.888 25.973 -5.143 1.00 0.22 H new ATOM 0 HB ILE A 100 27.842 25.692 -2.920 1.00 0.28 H new ATOM 0 HG12 ILE A 100 26.907 23.049 -4.138 1.00 0.35 H new ATOM 0 HG13 ILE A 100 27.864 23.263 -2.686 1.00 0.35 H new ATOM 0 HG21 ILE A 100 25.483 25.923 -3.660 1.00 0.23 H new ATOM 0 HG22 ILE A 100 26.590 26.844 -4.706 1.00 0.23 H new ATOM 0 HG23 ILE A 100 25.927 25.290 -5.263 1.00 0.23 H new ATOM 0 HD11 ILE A 100 25.499 22.805 -2.117 1.00 0.31 H new ATOM 0 HD12 ILE A 100 25.961 24.440 -1.589 1.00 0.31 H new ATOM 0 HD13 ILE A 100 24.990 24.223 -3.064 1.00 0.31 H new ATOM 1529 N SER A 101 30.513 25.028 -3.212 1.00 0.21 N ATOM 1530 CA SER A 101 31.683 24.419 -2.513 1.00 0.19 C ATOM 1531 C SER A 101 31.179 23.454 -1.433 1.00 0.18 C ATOM 1532 O SER A 101 30.205 23.721 -0.759 1.00 0.22 O ATOM 1533 CB SER A 101 32.537 25.517 -1.872 1.00 0.23 C ATOM 1534 OG SER A 101 31.787 26.167 -0.857 1.00 0.28 O ATOM 0 H SER A 101 30.299 25.991 -2.952 1.00 0.21 H new ATOM 0 HA SER A 101 32.293 23.874 -3.233 1.00 0.19 H new ATOM 0 HB2 SER A 101 33.445 25.086 -1.449 1.00 0.23 H new ATOM 0 HB3 SER A 101 32.848 26.238 -2.628 1.00 0.23 H new ATOM 0 HG SER A 101 31.066 26.689 -1.267 1.00 0.28 H new ATOM 1540 N ALA A 102 31.836 22.330 -1.274 1.00 0.12 N ATOM 1541 CA ALA A 102 31.405 21.325 -0.249 1.00 0.11 C ATOM 1542 C ALA A 102 30.971 22.023 1.042 1.00 0.13 C ATOM 1543 O ALA A 102 30.099 21.556 1.741 1.00 0.14 O ATOM 1544 CB ALA A 102 32.575 20.389 0.064 1.00 0.10 C ATOM 0 H ALA A 102 32.659 22.063 -1.814 1.00 0.12 H new ATOM 0 HA ALA A 102 30.563 20.760 -0.648 1.00 0.11 H new ATOM 0 HB1 ALA A 102 32.265 19.656 0.809 1.00 0.10 H new ATOM 0 HB2 ALA A 102 32.882 19.873 -0.846 1.00 0.10 H new ATOM 0 HB3 ALA A 102 33.412 20.970 0.452 1.00 0.10 H new ATOM 1550 N ALA A 103 31.569 23.132 1.365 1.00 0.14 N ATOM 1551 CA ALA A 103 31.175 23.842 2.610 1.00 0.16 C ATOM 1552 C ALA A 103 29.719 24.274 2.489 1.00 0.16 C ATOM 1553 O ALA A 103 28.873 23.897 3.280 1.00 0.18 O ATOM 1554 CB ALA A 103 32.062 25.072 2.809 1.00 0.17 C ATOM 0 H ALA A 103 32.311 23.576 0.824 1.00 0.14 H new ATOM 0 HA ALA A 103 31.295 23.178 3.466 1.00 0.16 H new ATOM 0 HB1 ALA A 103 31.768 25.588 3.723 1.00 0.17 H new ATOM 0 HB2 ALA A 103 33.104 24.761 2.887 1.00 0.17 H new ATOM 0 HB3 ALA A 103 31.947 25.745 1.959 1.00 0.17 H new ATOM 1560 N GLU A 104 29.421 25.048 1.495 1.00 0.12 N ATOM 1561 CA GLU A 104 28.018 25.499 1.294 1.00 0.11 C ATOM 1562 C GLU A 104 27.117 24.261 1.219 1.00 0.11 C ATOM 1563 O GLU A 104 25.973 24.284 1.626 1.00 0.15 O ATOM 1564 CB GLU A 104 27.934 26.302 -0.015 1.00 0.07 C ATOM 1565 CG GLU A 104 28.246 27.781 0.254 1.00 0.67 C ATOM 1566 CD GLU A 104 28.565 28.488 -1.068 1.00 0.57 C ATOM 1567 OE1 GLU A 104 29.253 27.896 -1.882 1.00 0.37 O ATOM 1568 OE2 GLU A 104 28.116 29.608 -1.238 1.00 0.73 O ATOM 0 H GLU A 104 30.090 25.393 0.806 1.00 0.12 H new ATOM 0 HA GLU A 104 27.694 26.134 2.119 1.00 0.11 H new ATOM 0 HB2 GLU A 104 28.638 25.900 -0.743 1.00 0.07 H new ATOM 0 HB3 GLU A 104 26.938 26.205 -0.447 1.00 0.07 H new ATOM 0 HG2 GLU A 104 27.395 28.260 0.738 1.00 0.67 H new ATOM 0 HG3 GLU A 104 29.091 27.866 0.937 1.00 0.67 H new ATOM 1575 N LEU A 105 27.634 23.172 0.709 1.00 0.10 N ATOM 1576 CA LEU A 105 26.818 21.928 0.619 1.00 0.12 C ATOM 1577 C LEU A 105 26.585 21.388 2.022 1.00 0.15 C ATOM 1578 O LEU A 105 25.476 21.065 2.399 1.00 0.14 O ATOM 1579 CB LEU A 105 27.567 20.882 -0.220 1.00 0.11 C ATOM 1580 CG LEU A 105 26.721 19.571 -0.377 1.00 0.09 C ATOM 1581 CD1 LEU A 105 26.177 19.377 -1.812 1.00 0.18 C ATOM 1582 CD2 LEU A 105 27.575 18.351 -0.032 1.00 0.08 C ATOM 0 H LEU A 105 28.586 23.093 0.352 1.00 0.10 H new ATOM 0 HA LEU A 105 25.861 22.147 0.145 1.00 0.12 H new ATOM 0 HB2 LEU A 105 27.791 21.294 -1.204 1.00 0.11 H new ATOM 0 HB3 LEU A 105 28.521 20.648 0.252 1.00 0.11 H new ATOM 0 HG LEU A 105 25.876 19.670 0.304 1.00 0.09 H new ATOM 0 HD11 LEU A 105 25.600 18.454 -1.861 1.00 0.18 H new ATOM 0 HD12 LEU A 105 25.537 20.219 -2.076 1.00 0.18 H new ATOM 0 HD13 LEU A 105 27.010 19.321 -2.513 1.00 0.18 H new ATOM 0 HD21 LEU A 105 26.978 17.446 -0.144 1.00 0.08 H new ATOM 0 HD22 LEU A 105 28.433 18.306 -0.703 1.00 0.08 H new ATOM 0 HD23 LEU A 105 27.924 18.430 0.998 1.00 0.08 H new ATOM 1594 N ARG A 106 27.615 21.303 2.805 1.00 0.20 N ATOM 1595 CA ARG A 106 27.436 20.800 4.189 1.00 0.23 C ATOM 1596 C ARG A 106 26.510 21.770 4.913 1.00 0.21 C ATOM 1597 O ARG A 106 25.712 21.383 5.738 1.00 0.20 O ATOM 1598 CB ARG A 106 28.794 20.740 4.911 1.00 0.26 C ATOM 1599 CG ARG A 106 29.541 19.447 4.532 1.00 0.69 C ATOM 1600 CD ARG A 106 30.811 19.281 5.399 1.00 0.55 C ATOM 1601 NE ARG A 106 32.015 19.819 4.677 1.00 1.81 N ATOM 1602 CZ ARG A 106 32.390 19.357 3.514 1.00 3.36 C ATOM 1603 NH1 ARG A 106 31.765 18.349 2.967 1.00 4.01 N ATOM 1604 NH2 ARG A 106 33.413 19.890 2.904 1.00 4.68 N ATOM 0 H ARG A 106 28.569 21.558 2.550 1.00 0.20 H new ATOM 0 HA ARG A 106 27.012 19.796 4.177 1.00 0.23 H new ATOM 0 HB2 ARG A 106 29.396 21.608 4.642 1.00 0.26 H new ATOM 0 HB3 ARG A 106 28.643 20.778 5.990 1.00 0.26 H new ATOM 0 HG2 ARG A 106 28.885 18.587 4.669 1.00 0.69 H new ATOM 0 HG3 ARG A 106 29.815 19.474 3.477 1.00 0.69 H new ATOM 0 HD2 ARG A 106 30.683 19.805 6.346 1.00 0.55 H new ATOM 0 HD3 ARG A 106 30.962 18.228 5.636 1.00 0.55 H new ATOM 0 HE ARG A 106 32.556 20.568 5.109 1.00 1.81 H new ATOM 0 HH11 ARG A 106 30.977 17.916 3.448 1.00 4.01 H new ATOM 0 HH12 ARG A 106 32.065 17.995 2.059 1.00 4.01 H new ATOM 0 HH21 ARG A 106 33.917 20.665 3.335 1.00 4.68 H new ATOM 0 HH22 ARG A 106 33.709 19.532 1.996 1.00 4.68 H new ATOM 1618 N HIS A 107 26.617 23.030 4.597 1.00 0.22 N ATOM 1619 CA HIS A 107 25.758 24.047 5.247 1.00 0.20 C ATOM 1620 C HIS A 107 24.310 23.868 4.775 1.00 0.19 C ATOM 1621 O HIS A 107 23.382 23.935 5.559 1.00 0.17 O ATOM 1622 CB HIS A 107 26.280 25.436 4.860 1.00 0.21 C ATOM 1623 CG HIS A 107 25.866 26.447 5.892 1.00 0.25 C ATOM 1624 ND1 HIS A 107 26.256 26.357 7.218 1.00 0.24 N ATOM 1625 CD2 HIS A 107 25.101 27.572 5.802 1.00 0.43 C ATOM 1626 CE1 HIS A 107 25.724 27.409 7.869 1.00 0.27 C ATOM 1627 NE2 HIS A 107 25.010 28.183 7.050 1.00 0.38 N ATOM 0 H HIS A 107 27.272 23.399 3.907 1.00 0.22 H new ATOM 0 HA HIS A 107 25.784 23.936 6.331 1.00 0.20 H new ATOM 0 HB2 HIS A 107 27.367 25.415 4.775 1.00 0.21 H new ATOM 0 HB3 HIS A 107 25.890 25.721 3.883 1.00 0.21 H new ATOM 0 HD1 HIS A 107 26.840 25.627 7.627 1.00 0.24 H new ATOM 0 HD2 HIS A 107 24.635 27.935 4.898 1.00 0.43 H new ATOM 0 HE1 HIS A 107 25.859 27.602 8.923 1.00 0.27 H new ATOM 1635 N VAL A 108 24.101 23.628 3.507 1.00 0.21 N ATOM 1636 CA VAL A 108 22.710 23.434 3.015 1.00 0.22 C ATOM 1637 C VAL A 108 22.062 22.314 3.822 1.00 0.22 C ATOM 1638 O VAL A 108 20.890 22.352 4.138 1.00 0.23 O ATOM 1639 CB VAL A 108 22.719 22.985 1.542 1.00 0.21 C ATOM 1640 CG1 VAL A 108 21.278 22.651 1.103 1.00 0.26 C ATOM 1641 CG2 VAL A 108 23.298 24.100 0.649 1.00 0.23 C ATOM 0 H VAL A 108 24.830 23.559 2.797 1.00 0.21 H new ATOM 0 HA VAL A 108 22.169 24.375 3.117 1.00 0.22 H new ATOM 0 HB VAL A 108 23.345 22.099 1.439 1.00 0.21 H new ATOM 0 HG11 VAL A 108 21.280 22.333 0.061 1.00 0.26 H new ATOM 0 HG12 VAL A 108 20.884 21.849 1.727 1.00 0.26 H new ATOM 0 HG13 VAL A 108 20.650 23.536 1.211 1.00 0.26 H new ATOM 0 HG21 VAL A 108 23.299 23.770 -0.390 1.00 0.23 H new ATOM 0 HG22 VAL A 108 22.686 24.997 0.744 1.00 0.23 H new ATOM 0 HG23 VAL A 108 24.319 24.322 0.960 1.00 0.23 H new ATOM 1651 N MET A 109 22.815 21.280 4.111 1.00 0.19 N ATOM 1652 CA MET A 109 22.238 20.121 4.840 1.00 0.19 C ATOM 1653 C MET A 109 22.050 20.448 6.334 1.00 0.18 C ATOM 1654 O MET A 109 21.191 19.886 6.985 1.00 0.18 O ATOM 1655 CB MET A 109 23.157 18.898 4.683 1.00 0.15 C ATOM 1656 CG MET A 109 23.495 18.656 3.200 1.00 0.21 C ATOM 1657 SD MET A 109 25.076 17.780 3.077 1.00 0.28 S ATOM 1658 CE MET A 109 24.428 16.091 3.149 1.00 0.27 C ATOM 0 H MET A 109 23.803 21.194 3.871 1.00 0.19 H new ATOM 0 HA MET A 109 21.260 19.898 4.413 1.00 0.19 H new ATOM 0 HB2 MET A 109 24.075 19.052 5.250 1.00 0.15 H new ATOM 0 HB3 MET A 109 22.670 18.016 5.099 1.00 0.15 H new ATOM 0 HG2 MET A 109 22.706 18.072 2.726 1.00 0.21 H new ATOM 0 HG3 MET A 109 23.551 19.606 2.669 1.00 0.21 H new ATOM 0 HE1 MET A 109 25.245 15.382 3.016 1.00 0.27 H new ATOM 0 HE2 MET A 109 23.956 15.923 4.117 1.00 0.27 H new ATOM 0 HE3 MET A 109 23.692 15.949 2.357 1.00 0.27 H new ATOM 1668 N THR A 110 22.844 21.329 6.897 1.00 0.18 N ATOM 1669 CA THR A 110 22.697 21.649 8.341 1.00 0.17 C ATOM 1670 C THR A 110 21.602 22.713 8.533 1.00 0.17 C ATOM 1671 O THR A 110 20.779 22.611 9.421 1.00 0.15 O ATOM 1672 CB THR A 110 24.061 22.164 8.854 1.00 0.17 C ATOM 1673 OG1 THR A 110 24.983 22.182 7.777 1.00 0.24 O ATOM 1674 CG2 THR A 110 24.606 21.245 9.955 1.00 0.17 C ATOM 0 H THR A 110 23.585 21.837 6.414 1.00 0.18 H new ATOM 0 HA THR A 110 22.402 20.764 8.904 1.00 0.17 H new ATOM 0 HB THR A 110 23.927 23.166 9.261 1.00 0.17 H new ATOM 0 HG1 THR A 110 25.117 21.269 7.446 1.00 0.24 H new ATOM 0 HG21 THR A 110 25.567 21.624 10.303 1.00 0.17 H new ATOM 0 HG22 THR A 110 23.903 21.218 10.788 1.00 0.17 H new ATOM 0 HG23 THR A 110 24.736 20.238 9.558 1.00 0.17 H new ATOM 1682 N ASN A 111 21.592 23.734 7.720 1.00 0.18 N ATOM 1683 CA ASN A 111 20.559 24.794 7.876 1.00 0.19 C ATOM 1684 C ASN A 111 19.168 24.180 7.758 1.00 0.23 C ATOM 1685 O ASN A 111 18.239 24.578 8.434 1.00 0.32 O ATOM 1686 CB ASN A 111 20.743 25.857 6.790 1.00 0.14 C ATOM 1687 CG ASN A 111 22.020 26.653 7.067 1.00 1.65 C ATOM 1688 OD1 ASN A 111 23.101 26.098 7.107 1.00 3.29 O ATOM 1689 ND2 ASN A 111 21.944 27.941 7.257 1.00 1.49 N ATOM 0 H ASN A 111 22.253 23.879 6.957 1.00 0.18 H new ATOM 0 HA ASN A 111 20.667 25.257 8.857 1.00 0.19 H new ATOM 0 HB2 ASN A 111 20.802 25.384 5.810 1.00 0.14 H new ATOM 0 HB3 ASN A 111 19.882 26.525 6.771 1.00 0.14 H new ATOM 0 HD21 ASN A 111 22.790 28.481 7.439 1.00 1.49 H new ATOM 0 HD22 ASN A 111 21.038 28.409 7.224 1.00 1.49 H new ATOM 1696 N LEU A 112 19.024 23.221 6.903 1.00 0.21 N ATOM 1697 CA LEU A 112 17.692 22.573 6.722 1.00 0.25 C ATOM 1698 C LEU A 112 17.233 21.956 8.040 1.00 0.28 C ATOM 1699 O LEU A 112 16.059 21.797 8.302 1.00 0.38 O ATOM 1700 CB LEU A 112 17.793 21.484 5.633 1.00 0.22 C ATOM 1701 CG LEU A 112 17.498 22.095 4.246 1.00 0.35 C ATOM 1702 CD1 LEU A 112 18.087 21.214 3.143 1.00 0.46 C ATOM 1703 CD2 LEU A 112 15.983 22.214 4.024 1.00 0.29 C ATOM 0 H LEU A 112 19.770 22.850 6.315 1.00 0.21 H new ATOM 0 HA LEU A 112 16.963 23.322 6.412 1.00 0.25 H new ATOM 0 HB2 LEU A 112 18.789 21.042 5.640 1.00 0.22 H new ATOM 0 HB3 LEU A 112 17.087 20.681 5.843 1.00 0.22 H new ATOM 0 HG LEU A 112 17.952 23.085 4.210 1.00 0.35 H new ATOM 0 HD11 LEU A 112 17.872 21.656 2.170 1.00 0.46 H new ATOM 0 HD12 LEU A 112 19.166 21.137 3.276 1.00 0.46 H new ATOM 0 HD13 LEU A 112 17.643 20.220 3.196 1.00 0.46 H new ATOM 0 HD21 LEU A 112 15.792 22.646 3.042 1.00 0.29 H new ATOM 0 HD22 LEU A 112 15.528 21.225 4.080 1.00 0.29 H new ATOM 0 HD23 LEU A 112 15.552 22.855 4.793 1.00 0.29 H new ATOM 1715 N GLY A 113 18.161 21.621 8.859 1.00 0.27 N ATOM 1716 CA GLY A 113 17.828 21.015 10.178 1.00 0.40 C ATOM 1717 C GLY A 113 17.103 19.684 9.972 1.00 0.12 C ATOM 1718 O GLY A 113 16.074 19.430 10.569 1.00 0.41 O ATOM 0 H GLY A 113 19.158 21.738 8.680 1.00 0.27 H new ATOM 0 HA2 GLY A 113 18.739 20.857 10.756 1.00 0.40 H new ATOM 0 HA3 GLY A 113 17.200 21.696 10.753 1.00 0.40 H new ATOM 1722 N GLU A 114 17.638 18.819 9.147 1.00 0.31 N ATOM 1723 CA GLU A 114 16.998 17.501 8.918 1.00 0.72 C ATOM 1724 C GLU A 114 17.618 16.516 9.937 1.00 0.92 C ATOM 1725 O GLU A 114 18.421 16.904 10.762 1.00 0.85 O ATOM 1726 CB GLU A 114 17.207 17.107 7.418 1.00 1.08 C ATOM 1727 CG GLU A 114 17.797 15.717 7.267 1.00 1.92 C ATOM 1728 CD GLU A 114 18.153 15.465 5.801 1.00 1.96 C ATOM 1729 OE1 GLU A 114 17.264 15.565 4.971 1.00 1.49 O ATOM 1730 OE2 GLU A 114 19.307 15.175 5.533 1.00 3.09 O ATOM 0 H GLU A 114 18.498 18.977 8.621 1.00 0.31 H new ATOM 0 HA GLU A 114 15.920 17.501 9.080 1.00 0.72 H new ATOM 0 HB2 GLU A 114 16.251 17.153 6.896 1.00 1.08 H new ATOM 0 HB3 GLU A 114 17.866 17.833 6.942 1.00 1.08 H new ATOM 0 HG2 GLU A 114 18.687 15.619 7.889 1.00 1.92 H new ATOM 0 HG3 GLU A 114 17.083 14.969 7.612 1.00 1.92 H new ATOM 1737 N LYS A 115 17.245 15.267 9.911 1.00 1.31 N ATOM 1738 CA LYS A 115 17.805 14.295 10.898 1.00 1.59 C ATOM 1739 C LYS A 115 19.182 13.826 10.448 1.00 1.35 C ATOM 1740 O LYS A 115 19.512 12.656 10.500 1.00 1.68 O ATOM 1741 CB LYS A 115 16.877 13.089 11.007 1.00 2.12 C ATOM 1742 CG LYS A 115 15.581 13.460 11.761 1.00 2.49 C ATOM 1743 CD LYS A 115 15.772 13.287 13.272 1.00 1.35 C ATOM 1744 CE LYS A 115 14.610 13.955 14.010 1.00 0.78 C ATOM 1745 NZ LYS A 115 14.696 13.641 15.463 1.00 1.09 N ATOM 0 H LYS A 115 16.576 14.874 9.249 1.00 1.31 H new ATOM 0 HA LYS A 115 17.891 14.786 11.867 1.00 1.59 H new ATOM 0 HB2 LYS A 115 16.631 12.723 10.010 1.00 2.12 H new ATOM 0 HB3 LYS A 115 17.387 12.278 11.528 1.00 2.12 H new ATOM 0 HG2 LYS A 115 15.306 14.491 11.539 1.00 2.49 H new ATOM 0 HG3 LYS A 115 14.760 12.830 11.418 1.00 2.49 H new ATOM 0 HD2 LYS A 115 15.817 12.228 13.525 1.00 1.35 H new ATOM 0 HD3 LYS A 115 16.718 13.730 13.583 1.00 1.35 H new ATOM 0 HE2 LYS A 115 14.641 15.034 13.858 1.00 0.78 H new ATOM 0 HE3 LYS A 115 13.660 13.604 13.607 1.00 0.78 H new ATOM 0 HZ1 LYS A 115 13.906 14.095 15.964 1.00 1.09 H new ATOM 0 HZ2 LYS A 115 14.646 12.611 15.599 1.00 1.09 H new ATOM 0 HZ3 LYS A 115 15.597 13.997 15.842 1.00 1.09 H new ATOM 1759 N LEU A 116 19.986 14.738 10.023 1.00 0.85 N ATOM 1760 CA LEU A 116 21.377 14.391 9.566 1.00 0.73 C ATOM 1761 C LEU A 116 22.348 14.471 10.753 1.00 0.58 C ATOM 1762 O LEU A 116 22.307 15.382 11.557 1.00 0.74 O ATOM 1763 CB LEU A 116 21.804 15.314 8.379 1.00 0.79 C ATOM 1764 CG LEU A 116 22.825 16.368 8.823 1.00 2.29 C ATOM 1765 CD1 LEU A 116 24.190 15.695 9.102 1.00 2.97 C ATOM 1766 CD2 LEU A 116 22.982 17.433 7.726 1.00 3.84 C ATOM 0 H LEU A 116 19.752 15.729 9.965 1.00 0.85 H new ATOM 0 HA LEU A 116 21.399 13.367 9.194 1.00 0.73 H new ATOM 0 HB2 LEU A 116 22.231 14.707 7.581 1.00 0.79 H new ATOM 0 HB3 LEU A 116 20.924 15.809 7.968 1.00 0.79 H new ATOM 0 HG LEU A 116 22.471 16.845 9.737 1.00 2.29 H new ATOM 0 HD11 LEU A 116 24.910 16.450 9.417 1.00 2.97 H new ATOM 0 HD12 LEU A 116 24.075 14.952 9.891 1.00 2.97 H new ATOM 0 HD13 LEU A 116 24.548 15.208 8.195 1.00 2.97 H new ATOM 0 HD21 LEU A 116 23.708 18.180 8.046 1.00 3.84 H new ATOM 0 HD22 LEU A 116 23.328 16.960 6.807 1.00 3.84 H new ATOM 0 HD23 LEU A 116 22.021 17.915 7.547 1.00 3.84 H new ATOM 1778 N THR A 117 23.254 13.530 10.819 1.00 0.71 N ATOM 1779 CA THR A 117 24.300 13.522 11.887 1.00 0.72 C ATOM 1780 C THR A 117 25.636 13.861 11.221 1.00 0.48 C ATOM 1781 O THR A 117 25.876 13.510 10.084 1.00 0.31 O ATOM 1782 CB THR A 117 24.387 12.137 12.530 1.00 1.07 C ATOM 1783 OG1 THR A 117 24.672 11.170 11.530 1.00 1.04 O ATOM 1784 CG2 THR A 117 23.058 11.800 13.208 1.00 1.39 C ATOM 0 H THR A 117 23.314 12.750 10.164 1.00 0.71 H new ATOM 0 HA THR A 117 24.055 14.246 12.664 1.00 0.72 H new ATOM 0 HB THR A 117 25.181 12.132 13.276 1.00 1.07 H new ATOM 0 HG1 THR A 117 25.394 10.584 11.838 1.00 1.04 H new ATOM 0 HG21 THR A 117 23.123 10.813 13.665 1.00 1.39 H new ATOM 0 HG22 THR A 117 22.843 12.542 13.977 1.00 1.39 H new ATOM 0 HG23 THR A 117 22.260 11.804 12.466 1.00 1.39 H new ATOM 1792 N ASP A 118 26.496 14.562 11.900 1.00 0.58 N ATOM 1793 CA ASP A 118 27.798 14.946 11.275 1.00 0.55 C ATOM 1794 C ASP A 118 28.559 13.702 10.809 1.00 0.44 C ATOM 1795 O ASP A 118 29.300 13.747 9.847 1.00 0.39 O ATOM 1796 CB ASP A 118 28.646 15.712 12.292 1.00 0.82 C ATOM 1797 CG ASP A 118 27.870 16.933 12.787 1.00 1.02 C ATOM 1798 OD1 ASP A 118 27.536 17.773 11.965 1.00 0.79 O ATOM 1799 OD2 ASP A 118 27.622 17.011 13.979 1.00 2.24 O ATOM 0 H ASP A 118 26.359 14.887 12.857 1.00 0.58 H new ATOM 0 HA ASP A 118 27.598 15.578 10.410 1.00 0.55 H new ATOM 0 HB2 ASP A 118 28.900 15.064 13.131 1.00 0.82 H new ATOM 0 HB3 ASP A 118 29.585 16.025 11.836 1.00 0.82 H new ATOM 1804 N GLU A 119 28.394 12.596 11.477 1.00 0.43 N ATOM 1805 CA GLU A 119 29.129 11.368 11.056 1.00 0.32 C ATOM 1806 C GLU A 119 28.557 10.846 9.737 1.00 0.19 C ATOM 1807 O GLU A 119 29.285 10.472 8.837 1.00 0.20 O ATOM 1808 CB GLU A 119 28.988 10.291 12.133 1.00 0.39 C ATOM 1809 CG GLU A 119 29.775 10.706 13.378 1.00 0.44 C ATOM 1810 CD GLU A 119 29.123 11.938 14.009 1.00 0.84 C ATOM 1811 OE1 GLU A 119 27.918 11.915 14.197 1.00 1.62 O ATOM 1812 OE2 GLU A 119 29.841 12.884 14.291 1.00 1.43 O ATOM 0 H GLU A 119 27.788 12.487 12.290 1.00 0.43 H new ATOM 0 HA GLU A 119 30.183 11.612 10.920 1.00 0.32 H new ATOM 0 HB2 GLU A 119 27.937 10.149 12.385 1.00 0.39 H new ATOM 0 HB3 GLU A 119 29.357 9.336 11.758 1.00 0.39 H new ATOM 0 HG2 GLU A 119 29.798 9.886 14.096 1.00 0.44 H new ATOM 0 HG3 GLU A 119 30.809 10.925 13.111 1.00 0.44 H new ATOM 1819 N GLU A 120 27.260 10.811 9.612 1.00 0.18 N ATOM 1820 CA GLU A 120 26.648 10.305 8.353 1.00 0.22 C ATOM 1821 C GLU A 120 27.171 11.104 7.156 1.00 0.21 C ATOM 1822 O GLU A 120 27.489 10.551 6.125 1.00 0.36 O ATOM 1823 CB GLU A 120 25.123 10.446 8.435 1.00 0.32 C ATOM 1824 CG GLU A 120 24.544 9.325 9.302 1.00 0.44 C ATOM 1825 CD GLU A 120 23.098 9.656 9.667 1.00 0.42 C ATOM 1826 OE1 GLU A 120 22.656 10.743 9.334 1.00 1.27 O ATOM 1827 OE2 GLU A 120 22.453 8.815 10.273 1.00 0.56 O ATOM 0 H GLU A 120 26.598 11.111 10.327 1.00 0.18 H new ATOM 0 HA GLU A 120 26.914 9.256 8.224 1.00 0.22 H new ATOM 0 HB2 GLU A 120 24.861 11.416 8.856 1.00 0.32 H new ATOM 0 HB3 GLU A 120 24.691 10.405 7.435 1.00 0.32 H new ATOM 0 HG2 GLU A 120 24.587 8.377 8.765 1.00 0.44 H new ATOM 0 HG3 GLU A 120 25.140 9.206 10.207 1.00 0.44 H new ATOM 1834 N VAL A 121 27.252 12.398 7.279 1.00 0.10 N ATOM 1835 CA VAL A 121 27.739 13.225 6.140 1.00 0.12 C ATOM 1836 C VAL A 121 29.172 12.819 5.779 1.00 0.14 C ATOM 1837 O VAL A 121 29.534 12.757 4.620 1.00 0.22 O ATOM 1838 CB VAL A 121 27.660 14.714 6.528 1.00 0.09 C ATOM 1839 CG1 VAL A 121 28.652 15.547 5.704 1.00 0.49 C ATOM 1840 CG2 VAL A 121 26.240 15.231 6.254 1.00 0.36 C ATOM 0 H VAL A 121 27.002 12.920 8.119 1.00 0.10 H new ATOM 0 HA VAL A 121 27.113 13.061 5.263 1.00 0.12 H new ATOM 0 HB VAL A 121 27.908 14.809 7.585 1.00 0.09 H new ATOM 0 HG11 VAL A 121 28.578 16.595 5.996 1.00 0.49 H new ATOM 0 HG12 VAL A 121 29.666 15.191 5.886 1.00 0.49 H new ATOM 0 HG13 VAL A 121 28.418 15.448 4.644 1.00 0.49 H new ATOM 0 HG21 VAL A 121 26.177 16.285 6.527 1.00 0.36 H new ATOM 0 HG22 VAL A 121 26.009 15.116 5.195 1.00 0.36 H new ATOM 0 HG23 VAL A 121 25.524 14.660 6.846 1.00 0.36 H new ATOM 1850 N ASP A 122 29.984 12.545 6.749 1.00 0.11 N ATOM 1851 CA ASP A 122 31.385 12.146 6.441 1.00 0.12 C ATOM 1852 C ASP A 122 31.373 10.925 5.518 1.00 0.12 C ATOM 1853 O ASP A 122 32.219 10.778 4.658 1.00 0.13 O ATOM 1854 CB ASP A 122 32.125 11.803 7.737 1.00 0.13 C ATOM 1855 CG ASP A 122 32.229 13.055 8.611 1.00 0.22 C ATOM 1856 OD1 ASP A 122 32.579 14.098 8.080 1.00 0.87 O ATOM 1857 OD2 ASP A 122 31.955 12.950 9.796 1.00 1.44 O ATOM 0 H ASP A 122 29.745 12.578 7.740 1.00 0.11 H new ATOM 0 HA ASP A 122 31.896 12.973 5.947 1.00 0.12 H new ATOM 0 HB2 ASP A 122 31.596 11.015 8.273 1.00 0.13 H new ATOM 0 HB3 ASP A 122 33.120 11.421 7.510 1.00 0.13 H new ATOM 1862 N GLU A 123 30.413 10.052 5.677 1.00 0.12 N ATOM 1863 CA GLU A 123 30.349 8.851 4.792 1.00 0.16 C ATOM 1864 C GLU A 123 29.796 9.283 3.428 1.00 0.11 C ATOM 1865 O GLU A 123 30.254 8.847 2.393 1.00 0.13 O ATOM 1866 CB GLU A 123 29.436 7.784 5.426 1.00 0.22 C ATOM 1867 CG GLU A 123 30.242 6.920 6.407 1.00 1.60 C ATOM 1868 CD GLU A 123 31.159 5.979 5.624 1.00 2.48 C ATOM 1869 OE1 GLU A 123 31.197 6.095 4.410 1.00 2.89 O ATOM 1870 OE2 GLU A 123 31.807 5.159 6.252 1.00 3.34 O ATOM 0 H GLU A 123 29.674 10.118 6.377 1.00 0.12 H new ATOM 0 HA GLU A 123 31.343 8.421 4.667 1.00 0.16 H new ATOM 0 HB2 GLU A 123 28.608 8.265 5.947 1.00 0.22 H new ATOM 0 HB3 GLU A 123 29.001 7.156 4.648 1.00 0.22 H new ATOM 0 HG2 GLU A 123 30.833 7.555 7.067 1.00 1.60 H new ATOM 0 HG3 GLU A 123 29.567 6.344 7.040 1.00 1.60 H new ATOM 1877 N MET A 124 28.823 10.152 3.430 1.00 0.06 N ATOM 1878 CA MET A 124 28.248 10.638 2.145 1.00 0.04 C ATOM 1879 C MET A 124 29.342 11.373 1.359 1.00 0.04 C ATOM 1880 O MET A 124 29.334 11.407 0.146 1.00 0.05 O ATOM 1881 CB MET A 124 27.086 11.573 2.442 1.00 0.08 C ATOM 1882 CG MET A 124 25.959 10.805 3.140 1.00 0.09 C ATOM 1883 SD MET A 124 24.483 11.857 3.233 1.00 0.23 S ATOM 1884 CE MET A 124 24.166 11.718 5.013 1.00 1.10 C ATOM 0 H MET A 124 28.400 10.548 4.270 1.00 0.06 H new ATOM 0 HA MET A 124 27.883 9.801 1.550 1.00 0.04 H new ATOM 0 HB2 MET A 124 27.423 12.395 3.074 1.00 0.08 H new ATOM 0 HB3 MET A 124 26.717 12.014 1.516 1.00 0.08 H new ATOM 0 HG2 MET A 124 25.733 9.890 2.592 1.00 0.09 H new ATOM 0 HG3 MET A 124 26.272 10.508 4.141 1.00 0.09 H new ATOM 0 HE1 MET A 124 23.284 12.304 5.272 1.00 1.10 H new ATOM 0 HE2 MET A 124 23.996 10.673 5.272 1.00 1.10 H new ATOM 0 HE3 MET A 124 25.027 12.093 5.566 1.00 1.10 H new ATOM 1894 N ILE A 125 30.288 11.943 2.052 1.00 0.06 N ATOM 1895 CA ILE A 125 31.405 12.668 1.372 1.00 0.07 C ATOM 1896 C ILE A 125 32.414 11.657 0.799 1.00 0.11 C ATOM 1897 O ILE A 125 33.079 11.924 -0.184 1.00 0.15 O ATOM 1898 CB ILE A 125 32.087 13.579 2.402 1.00 0.08 C ATOM 1899 CG1 ILE A 125 31.153 14.759 2.709 1.00 0.07 C ATOM 1900 CG2 ILE A 125 33.420 14.097 1.850 1.00 0.09 C ATOM 1901 CD1 ILE A 125 31.713 15.607 3.854 1.00 0.11 C ATOM 0 H ILE A 125 30.338 11.939 3.071 1.00 0.06 H new ATOM 0 HA ILE A 125 31.019 13.268 0.548 1.00 0.07 H new ATOM 0 HB ILE A 125 32.288 13.017 3.314 1.00 0.08 H new ATOM 0 HG12 ILE A 125 31.033 15.375 1.818 1.00 0.07 H new ATOM 0 HG13 ILE A 125 30.164 14.387 2.975 1.00 0.07 H new ATOM 0 HG21 ILE A 125 33.894 14.742 2.590 1.00 0.09 H new ATOM 0 HG22 ILE A 125 34.075 13.254 1.631 1.00 0.09 H new ATOM 0 HG23 ILE A 125 33.240 14.664 0.937 1.00 0.09 H new ATOM 0 HD11 ILE A 125 31.037 16.438 4.056 1.00 0.11 H new ATOM 0 HD12 ILE A 125 31.810 14.992 4.749 1.00 0.11 H new ATOM 0 HD13 ILE A 125 32.692 15.996 3.574 1.00 0.11 H new ATOM 1913 N ARG A 126 32.541 10.504 1.404 1.00 0.13 N ATOM 1914 CA ARG A 126 33.516 9.491 0.892 1.00 0.18 C ATOM 1915 C ARG A 126 33.135 9.066 -0.534 1.00 0.18 C ATOM 1916 O ARG A 126 33.968 9.034 -1.418 1.00 0.24 O ATOM 1917 CB ARG A 126 33.519 8.264 1.824 1.00 0.19 C ATOM 1918 CG ARG A 126 34.509 8.486 2.979 1.00 0.31 C ATOM 1919 CD ARG A 126 34.544 7.250 3.903 1.00 0.52 C ATOM 1920 NE ARG A 126 34.564 7.691 5.335 1.00 0.96 N ATOM 1921 CZ ARG A 126 35.382 8.626 5.746 1.00 1.06 C ATOM 1922 NH1 ARG A 126 36.297 9.104 4.947 1.00 1.15 N ATOM 1923 NH2 ARG A 126 35.309 9.053 6.975 1.00 1.79 N ATOM 0 H ARG A 126 32.013 10.219 2.229 1.00 0.13 H new ATOM 0 HA ARG A 126 34.513 9.931 0.871 1.00 0.18 H new ATOM 0 HB2 ARG A 126 32.518 8.095 2.220 1.00 0.19 H new ATOM 0 HB3 ARG A 126 33.795 7.371 1.263 1.00 0.19 H new ATOM 0 HG2 ARG A 126 35.505 8.678 2.581 1.00 0.31 H new ATOM 0 HG3 ARG A 126 34.219 9.367 3.551 1.00 0.31 H new ATOM 0 HD2 ARG A 126 33.673 6.621 3.718 1.00 0.52 H new ATOM 0 HD3 ARG A 126 35.425 6.646 3.686 1.00 0.52 H new ATOM 0 HE ARG A 126 33.928 7.254 6.002 1.00 0.96 H new ATOM 0 HH11 ARG A 126 36.378 8.749 3.994 1.00 1.15 H new ATOM 0 HH12 ARG A 126 36.931 9.833 5.275 1.00 1.15 H new ATOM 0 HH21 ARG A 126 34.617 8.659 7.612 1.00 1.79 H new ATOM 0 HH22 ARG A 126 35.944 9.782 7.300 1.00 1.79 H new ATOM 1937 N GLU A 127 31.896 8.719 -0.773 1.00 0.17 N ATOM 1938 CA GLU A 127 31.509 8.280 -2.153 1.00 0.23 C ATOM 1939 C GLU A 127 31.311 9.508 -3.065 1.00 0.21 C ATOM 1940 O GLU A 127 31.409 9.405 -4.273 1.00 0.23 O ATOM 1941 CB GLU A 127 30.208 7.450 -2.086 1.00 0.27 C ATOM 1942 CG GLU A 127 30.536 5.988 -1.764 1.00 0.33 C ATOM 1943 CD GLU A 127 29.247 5.237 -1.429 1.00 0.97 C ATOM 1944 OE1 GLU A 127 28.507 4.928 -2.349 1.00 1.45 O ATOM 1945 OE2 GLU A 127 29.018 4.986 -0.256 1.00 1.78 O ATOM 0 H GLU A 127 31.143 8.719 -0.085 1.00 0.17 H new ATOM 0 HA GLU A 127 32.305 7.663 -2.570 1.00 0.23 H new ATOM 0 HB2 GLU A 127 29.545 7.859 -1.324 1.00 0.27 H new ATOM 0 HB3 GLU A 127 29.678 7.512 -3.036 1.00 0.27 H new ATOM 0 HG2 GLU A 127 31.031 5.520 -2.614 1.00 0.33 H new ATOM 0 HG3 GLU A 127 31.228 5.936 -0.924 1.00 0.33 H new ATOM 1952 N ALA A 128 31.084 10.671 -2.510 1.00 0.18 N ATOM 1953 CA ALA A 128 30.938 11.890 -3.339 1.00 0.17 C ATOM 1954 C ALA A 128 32.317 12.499 -3.476 1.00 0.15 C ATOM 1955 O ALA A 128 32.634 13.440 -2.791 1.00 0.14 O ATOM 1956 CB ALA A 128 30.034 12.903 -2.658 1.00 0.15 C ATOM 0 H ALA A 128 30.994 10.823 -1.505 1.00 0.18 H new ATOM 0 HA ALA A 128 30.502 11.631 -4.304 1.00 0.17 H new ATOM 0 HB1 ALA A 128 29.942 13.789 -3.286 1.00 0.15 H new ATOM 0 HB2 ALA A 128 29.048 12.465 -2.503 1.00 0.15 H new ATOM 0 HB3 ALA A 128 30.462 13.183 -1.695 1.00 0.15 H new ATOM 1962 N ASP A 129 33.127 11.937 -4.319 1.00 0.15 N ATOM 1963 CA ASP A 129 34.542 12.445 -4.508 1.00 0.14 C ATOM 1964 C ASP A 129 34.534 13.975 -4.454 1.00 0.13 C ATOM 1965 O ASP A 129 34.467 14.659 -5.456 1.00 0.13 O ATOM 1966 CB ASP A 129 35.108 11.995 -5.866 1.00 0.13 C ATOM 1967 CG ASP A 129 36.478 12.643 -6.082 1.00 1.90 C ATOM 1968 OD1 ASP A 129 37.432 12.182 -5.478 1.00 2.86 O ATOM 1969 OD2 ASP A 129 36.549 13.590 -6.850 1.00 2.84 O ATOM 0 H ASP A 129 32.882 11.136 -4.901 1.00 0.15 H new ATOM 0 HA ASP A 129 35.169 12.037 -3.715 1.00 0.14 H new ATOM 0 HB2 ASP A 129 35.198 10.909 -5.894 1.00 0.13 H new ATOM 0 HB3 ASP A 129 34.428 12.279 -6.669 1.00 0.13 H new ATOM 1974 N ILE A 130 34.537 14.488 -3.260 1.00 0.14 N ATOM 1975 CA ILE A 130 34.457 15.954 -3.037 1.00 0.15 C ATOM 1976 C ILE A 130 35.814 16.630 -3.222 1.00 0.24 C ATOM 1977 O ILE A 130 35.958 17.830 -3.090 1.00 0.44 O ATOM 1978 CB ILE A 130 33.917 16.140 -1.604 1.00 0.08 C ATOM 1979 CG1 ILE A 130 32.345 15.971 -1.575 1.00 0.11 C ATOM 1980 CG2 ILE A 130 34.383 17.472 -1.011 1.00 0.06 C ATOM 1981 CD1 ILE A 130 31.646 17.126 -0.829 1.00 0.13 C ATOM 0 H ILE A 130 34.593 13.935 -2.404 1.00 0.14 H new ATOM 0 HA ILE A 130 33.799 16.425 -3.767 1.00 0.15 H new ATOM 0 HB ILE A 130 34.330 15.358 -0.967 1.00 0.08 H new ATOM 0 HG12 ILE A 130 31.968 15.921 -2.597 1.00 0.11 H new ATOM 0 HG13 ILE A 130 32.092 15.026 -1.095 1.00 0.11 H new ATOM 0 HG21 ILE A 130 33.988 17.578 -0.000 1.00 0.06 H new ATOM 0 HG22 ILE A 130 35.472 17.495 -0.980 1.00 0.06 H new ATOM 0 HG23 ILE A 130 34.020 18.293 -1.630 1.00 0.06 H new ATOM 0 HD11 ILE A 130 30.568 16.964 -0.836 1.00 0.13 H new ATOM 0 HD12 ILE A 130 32.001 17.161 0.201 1.00 0.13 H new ATOM 0 HD13 ILE A 130 31.875 18.070 -1.324 1.00 0.13 H new ATOM 2024 N GLY A 134 36.934 20.461 -6.265 1.00 0.34 N ATOM 2025 CA GLY A 134 36.758 21.537 -5.241 1.00 0.13 C ATOM 2026 C GLY A 134 35.271 21.868 -5.103 1.00 0.13 C ATOM 2027 O GLY A 134 34.792 22.179 -4.030 1.00 0.10 O ATOM 0 HA2 GLY A 134 37.160 21.211 -4.282 1.00 0.13 H new ATOM 0 HA3 GLY A 134 37.315 22.427 -5.534 1.00 0.13 H new ATOM 2031 N GLN A 135 34.537 21.781 -6.182 1.00 0.15 N ATOM 2032 CA GLN A 135 33.065 22.064 -6.148 1.00 0.16 C ATOM 2033 C GLN A 135 32.328 20.785 -6.536 1.00 0.15 C ATOM 2034 O GLN A 135 32.847 19.965 -7.270 1.00 0.21 O ATOM 2035 CB GLN A 135 32.722 23.176 -7.145 1.00 0.17 C ATOM 2036 CG GLN A 135 33.705 24.344 -6.985 1.00 0.23 C ATOM 2037 CD GLN A 135 33.087 25.622 -7.560 1.00 0.34 C ATOM 2038 OE1 GLN A 135 32.719 26.518 -6.827 1.00 1.00 O ATOM 2039 NE2 GLN A 135 32.958 25.744 -8.854 1.00 0.75 N ATOM 0 H GLN A 135 34.898 21.522 -7.100 1.00 0.15 H new ATOM 0 HA GLN A 135 32.769 22.388 -5.150 1.00 0.16 H new ATOM 0 HB2 GLN A 135 32.766 22.789 -8.163 1.00 0.17 H new ATOM 0 HB3 GLN A 135 31.702 23.523 -6.979 1.00 0.17 H new ATOM 0 HG2 GLN A 135 33.946 24.487 -5.932 1.00 0.23 H new ATOM 0 HG3 GLN A 135 34.640 24.118 -7.498 1.00 0.23 H new ATOM 0 HE21 GLN A 135 33.267 24.992 -9.470 1.00 0.75 H new ATOM 0 HE22 GLN A 135 32.549 26.591 -9.248 1.00 0.75 H new ATOM 2048 N VAL A 136 31.135 20.584 -6.037 1.00 0.09 N ATOM 2049 CA VAL A 136 30.385 19.337 -6.362 1.00 0.09 C ATOM 2050 C VAL A 136 28.908 19.681 -6.573 1.00 0.15 C ATOM 2051 O VAL A 136 28.383 20.600 -5.972 1.00 0.17 O ATOM 2052 CB VAL A 136 30.507 18.380 -5.163 1.00 0.06 C ATOM 2053 CG1 VAL A 136 30.365 16.914 -5.597 1.00 0.07 C ATOM 2054 CG2 VAL A 136 31.865 18.573 -4.484 1.00 0.10 C ATOM 0 H VAL A 136 30.648 21.232 -5.417 1.00 0.09 H new ATOM 0 HA VAL A 136 30.787 18.876 -7.264 1.00 0.09 H new ATOM 0 HB VAL A 136 29.701 18.613 -4.467 1.00 0.06 H new ATOM 0 HG11 VAL A 136 30.456 16.266 -4.725 1.00 0.07 H new ATOM 0 HG12 VAL A 136 29.390 16.764 -6.060 1.00 0.07 H new ATOM 0 HG13 VAL A 136 31.148 16.669 -6.314 1.00 0.07 H new ATOM 0 HG21 VAL A 136 31.947 17.894 -3.636 1.00 0.10 H new ATOM 0 HG22 VAL A 136 32.662 18.361 -5.197 1.00 0.10 H new ATOM 0 HG23 VAL A 136 31.954 19.602 -4.135 1.00 0.10 H new ATOM 2064 N ASN A 137 28.226 18.932 -7.390 1.00 0.20 N ATOM 2065 CA ASN A 137 26.800 19.182 -7.605 1.00 0.26 C ATOM 2066 C ASN A 137 26.038 18.578 -6.428 1.00 0.31 C ATOM 2067 O ASN A 137 26.536 17.709 -5.738 1.00 0.49 O ATOM 2068 CB ASN A 137 26.386 18.505 -8.899 1.00 0.32 C ATOM 2069 CG ASN A 137 26.996 17.102 -8.965 1.00 1.33 C ATOM 2070 OD1 ASN A 137 26.306 16.119 -8.788 1.00 1.43 O ATOM 2071 ND2 ASN A 137 28.271 16.967 -9.214 1.00 2.75 N ATOM 0 H ASN A 137 28.612 18.150 -7.919 1.00 0.20 H new ATOM 0 HA ASN A 137 26.587 20.249 -7.674 1.00 0.26 H new ATOM 0 HB2 ASN A 137 25.299 18.443 -8.957 1.00 0.32 H new ATOM 0 HB3 ASN A 137 26.717 19.097 -9.752 1.00 0.32 H new ATOM 0 HD21 ASN A 137 28.686 16.036 -9.260 1.00 2.75 H new ATOM 0 HD22 ASN A 137 28.852 17.792 -9.363 1.00 2.75 H new ATOM 2078 N TYR A 138 24.854 19.045 -6.171 1.00 0.33 N ATOM 2079 CA TYR A 138 24.071 18.512 -5.008 1.00 0.32 C ATOM 2080 C TYR A 138 23.117 17.380 -5.438 1.00 0.36 C ATOM 2081 O TYR A 138 22.804 16.517 -4.644 1.00 0.31 O ATOM 2082 CB TYR A 138 23.272 19.669 -4.378 1.00 0.34 C ATOM 2083 CG TYR A 138 22.845 20.637 -5.455 1.00 0.31 C ATOM 2084 CD1 TYR A 138 23.698 21.678 -5.845 1.00 1.07 C ATOM 2085 CD2 TYR A 138 21.598 20.487 -6.069 1.00 0.95 C ATOM 2086 CE1 TYR A 138 23.297 22.566 -6.849 1.00 1.15 C ATOM 2087 CE2 TYR A 138 21.196 21.375 -7.066 1.00 0.86 C ATOM 2088 CZ TYR A 138 22.045 22.415 -7.460 1.00 0.32 C ATOM 2089 OH TYR A 138 21.649 23.291 -8.449 1.00 0.37 O ATOM 0 H TYR A 138 24.386 19.773 -6.711 1.00 0.33 H new ATOM 0 HA TYR A 138 24.765 18.092 -4.280 1.00 0.32 H new ATOM 0 HB2 TYR A 138 22.397 19.279 -3.858 1.00 0.34 H new ATOM 0 HB3 TYR A 138 23.882 20.183 -3.635 1.00 0.34 H new ATOM 0 HD1 TYR A 138 24.662 21.795 -5.372 1.00 1.07 H new ATOM 0 HD2 TYR A 138 20.944 19.681 -5.770 1.00 0.95 H new ATOM 0 HE1 TYR A 138 23.953 23.368 -7.153 1.00 1.15 H new ATOM 0 HE2 TYR A 138 20.229 21.260 -7.534 1.00 0.86 H new ATOM 0 HH TYR A 138 20.755 23.044 -8.766 1.00 0.37 H new ATOM 2099 N GLU A 139 22.640 17.376 -6.664 1.00 0.46 N ATOM 2100 CA GLU A 139 21.685 16.306 -7.112 1.00 0.49 C ATOM 2101 C GLU A 139 22.088 14.939 -6.547 1.00 0.47 C ATOM 2102 O GLU A 139 21.265 14.204 -6.035 1.00 0.50 O ATOM 2103 CB GLU A 139 21.638 16.272 -8.660 1.00 0.55 C ATOM 2104 CG GLU A 139 22.698 15.317 -9.245 1.00 1.42 C ATOM 2105 CD GLU A 139 22.789 15.525 -10.758 1.00 1.52 C ATOM 2106 OE1 GLU A 139 22.727 16.666 -11.183 1.00 1.23 O ATOM 2107 OE2 GLU A 139 22.915 14.538 -11.465 1.00 2.41 O ATOM 0 H GLU A 139 22.872 18.069 -7.375 1.00 0.46 H new ATOM 0 HA GLU A 139 20.690 16.537 -6.731 1.00 0.49 H new ATOM 0 HB2 GLU A 139 20.647 15.958 -8.987 1.00 0.55 H new ATOM 0 HB3 GLU A 139 21.799 17.277 -9.051 1.00 0.55 H new ATOM 0 HG2 GLU A 139 23.667 15.504 -8.782 1.00 1.42 H new ATOM 0 HG3 GLU A 139 22.433 14.283 -9.024 1.00 1.42 H new ATOM 2114 N GLU A 140 23.336 14.591 -6.626 1.00 0.42 N ATOM 2115 CA GLU A 140 23.769 13.276 -6.079 1.00 0.39 C ATOM 2116 C GLU A 140 23.665 13.308 -4.554 1.00 0.34 C ATOM 2117 O GLU A 140 23.208 12.372 -3.926 1.00 0.37 O ATOM 2118 CB GLU A 140 25.218 13.004 -6.493 1.00 0.37 C ATOM 2119 CG GLU A 140 25.545 11.525 -6.273 1.00 1.44 C ATOM 2120 CD GLU A 140 27.060 11.323 -6.325 1.00 1.81 C ATOM 2121 OE1 GLU A 140 27.770 12.192 -5.847 1.00 2.69 O ATOM 2122 OE2 GLU A 140 27.485 10.302 -6.843 1.00 1.93 O ATOM 0 H GLU A 140 24.076 15.156 -7.044 1.00 0.42 H new ATOM 0 HA GLU A 140 23.130 12.485 -6.471 1.00 0.39 H new ATOM 0 HB2 GLU A 140 25.363 13.267 -7.541 1.00 0.37 H new ATOM 0 HB3 GLU A 140 25.897 13.628 -5.911 1.00 0.37 H new ATOM 0 HG2 GLU A 140 25.157 11.195 -5.309 1.00 1.44 H new ATOM 0 HG3 GLU A 140 25.060 10.917 -7.037 1.00 1.44 H new ATOM 2129 N PHE A 141 24.092 14.385 -3.952 1.00 0.27 N ATOM 2130 CA PHE A 141 24.028 14.482 -2.465 1.00 0.23 C ATOM 2131 C PHE A 141 22.560 14.569 -2.013 1.00 0.30 C ATOM 2132 O PHE A 141 22.239 14.266 -0.881 1.00 0.36 O ATOM 2133 CB PHE A 141 24.815 15.739 -1.995 1.00 0.19 C ATOM 2134 CG PHE A 141 26.030 15.332 -1.184 1.00 0.14 C ATOM 2135 CD1 PHE A 141 25.862 14.865 0.122 1.00 0.20 C ATOM 2136 CD2 PHE A 141 27.316 15.422 -1.734 1.00 0.13 C ATOM 2137 CE1 PHE A 141 26.975 14.491 0.878 1.00 0.16 C ATOM 2138 CE2 PHE A 141 28.432 15.045 -0.966 1.00 0.15 C ATOM 2139 CZ PHE A 141 28.253 14.584 0.332 1.00 0.11 C ATOM 0 H PHE A 141 24.482 15.201 -4.424 1.00 0.27 H new ATOM 0 HA PHE A 141 24.478 13.595 -2.020 1.00 0.23 H new ATOM 0 HB2 PHE A 141 25.127 16.324 -2.860 1.00 0.19 H new ATOM 0 HB3 PHE A 141 24.167 16.378 -1.395 1.00 0.19 H new ATOM 0 HD1 PHE A 141 24.872 14.793 0.547 1.00 0.20 H new ATOM 0 HD2 PHE A 141 27.449 15.780 -2.744 1.00 0.13 H new ATOM 0 HE1 PHE A 141 26.845 14.129 1.887 1.00 0.16 H new ATOM 0 HE2 PHE A 141 29.425 15.114 -1.384 1.00 0.15 H new ATOM 0 HZ PHE A 141 29.111 14.296 0.922 1.00 0.11 H new ATOM 2149 N VAL A 142 21.668 14.977 -2.874 1.00 0.31 N ATOM 2150 CA VAL A 142 20.237 15.067 -2.461 1.00 0.38 C ATOM 2151 C VAL A 142 19.678 13.659 -2.259 1.00 0.44 C ATOM 2152 O VAL A 142 19.066 13.356 -1.254 1.00 0.51 O ATOM 2153 CB VAL A 142 19.423 15.774 -3.550 1.00 0.42 C ATOM 2154 CG1 VAL A 142 17.940 15.765 -3.157 1.00 0.51 C ATOM 2155 CG2 VAL A 142 19.918 17.228 -3.723 1.00 0.34 C ATOM 0 H VAL A 142 21.864 15.250 -3.837 1.00 0.31 H new ATOM 0 HA VAL A 142 20.170 15.632 -1.532 1.00 0.38 H new ATOM 0 HB VAL A 142 19.551 15.250 -4.497 1.00 0.42 H new ATOM 0 HG11 VAL A 142 17.356 16.267 -3.929 1.00 0.51 H new ATOM 0 HG12 VAL A 142 17.597 14.735 -3.054 1.00 0.51 H new ATOM 0 HG13 VAL A 142 17.812 16.286 -2.208 1.00 0.51 H new ATOM 0 HG21 VAL A 142 19.333 17.722 -4.499 1.00 0.34 H new ATOM 0 HG22 VAL A 142 19.801 17.767 -2.783 1.00 0.34 H new ATOM 0 HG23 VAL A 142 20.970 17.223 -4.009 1.00 0.34 H new ATOM 2165 N GLN A 143 19.876 12.801 -3.222 1.00 0.44 N ATOM 2166 CA GLN A 143 19.351 11.410 -3.111 1.00 0.49 C ATOM 2167 C GLN A 143 19.995 10.696 -1.920 1.00 0.50 C ATOM 2168 O GLN A 143 19.433 9.774 -1.362 1.00 0.54 O ATOM 2169 CB GLN A 143 19.679 10.648 -4.398 1.00 0.51 C ATOM 2170 CG GLN A 143 18.750 11.117 -5.522 1.00 0.64 C ATOM 2171 CD GLN A 143 17.334 10.599 -5.262 1.00 2.46 C ATOM 2172 OE1 GLN A 143 16.434 11.369 -4.991 1.00 3.66 O ATOM 2173 NE2 GLN A 143 17.095 9.318 -5.339 1.00 3.37 N ATOM 0 H GLN A 143 20.381 13.004 -4.085 1.00 0.44 H new ATOM 0 HA GLN A 143 18.272 11.444 -2.961 1.00 0.49 H new ATOM 0 HB2 GLN A 143 20.719 10.816 -4.678 1.00 0.51 H new ATOM 0 HB3 GLN A 143 19.561 9.576 -4.238 1.00 0.51 H new ATOM 0 HG2 GLN A 143 18.747 12.206 -5.575 1.00 0.64 H new ATOM 0 HG3 GLN A 143 19.112 10.752 -6.483 1.00 0.64 H new ATOM 0 HE21 GLN A 143 17.850 8.671 -5.566 1.00 3.37 H new ATOM 0 HE22 GLN A 143 16.153 8.964 -5.172 1.00 3.37 H new ATOM 2182 N MET A 144 21.172 11.099 -1.530 1.00 0.46 N ATOM 2183 CA MET A 144 21.846 10.425 -0.378 1.00 0.47 C ATOM 2184 C MET A 144 21.157 10.814 0.937 1.00 0.50 C ATOM 2185 O MET A 144 21.032 10.010 1.842 1.00 0.57 O ATOM 2186 CB MET A 144 23.329 10.843 -0.330 1.00 0.42 C ATOM 2187 CG MET A 144 24.154 9.976 -1.289 1.00 0.43 C ATOM 2188 SD MET A 144 25.909 10.392 -1.113 1.00 0.68 S ATOM 2189 CE MET A 144 26.462 9.708 -2.696 1.00 0.32 C ATOM 0 H MET A 144 21.697 11.863 -1.955 1.00 0.46 H new ATOM 0 HA MET A 144 21.777 9.345 -0.508 1.00 0.47 H new ATOM 0 HB2 MET A 144 23.427 11.894 -0.602 1.00 0.42 H new ATOM 0 HB3 MET A 144 23.711 10.740 0.686 1.00 0.42 H new ATOM 0 HG2 MET A 144 23.995 8.920 -1.071 1.00 0.43 H new ATOM 0 HG3 MET A 144 23.831 10.141 -2.317 1.00 0.43 H new ATOM 0 HE1 MET A 144 27.492 9.365 -2.604 1.00 0.32 H new ATOM 0 HE2 MET A 144 25.823 8.869 -2.973 1.00 0.32 H new ATOM 0 HE3 MET A 144 26.403 10.478 -3.465 1.00 0.32 H new ATOM 2199 N MET A 145 20.725 12.035 1.060 1.00 0.45 N ATOM 2200 CA MET A 145 20.062 12.468 2.326 1.00 0.48 C ATOM 2201 C MET A 145 18.664 11.850 2.441 1.00 0.58 C ATOM 2202 O MET A 145 18.117 11.738 3.520 1.00 0.63 O ATOM 2203 CB MET A 145 19.940 13.998 2.340 1.00 0.46 C ATOM 2204 CG MET A 145 21.339 14.659 2.419 1.00 0.37 C ATOM 2205 SD MET A 145 21.334 15.962 3.684 1.00 0.41 S ATOM 2206 CE MET A 145 20.196 17.096 2.852 1.00 0.29 C ATOM 0 H MET A 145 20.800 12.755 0.341 1.00 0.45 H new ATOM 0 HA MET A 145 20.666 12.133 3.169 1.00 0.48 H new ATOM 0 HB2 MET A 145 19.424 14.335 1.441 1.00 0.46 H new ATOM 0 HB3 MET A 145 19.336 14.312 3.191 1.00 0.46 H new ATOM 0 HG2 MET A 145 22.092 13.909 2.660 1.00 0.37 H new ATOM 0 HG3 MET A 145 21.607 15.081 1.450 1.00 0.37 H new ATOM 0 HE1 MET A 145 20.469 18.124 3.089 1.00 0.29 H new ATOM 0 HE2 MET A 145 20.254 16.944 1.774 1.00 0.29 H new ATOM 0 HE3 MET A 145 19.178 16.904 3.191 1.00 0.29 H new ATOM 2216 N THR A 146 18.072 11.456 1.348 1.00 0.61 N ATOM 2217 CA THR A 146 16.719 10.861 1.402 1.00 0.72 C ATOM 2218 C THR A 146 16.794 9.479 2.046 1.00 1.05 C ATOM 2219 O THR A 146 16.129 9.191 3.021 1.00 1.44 O ATOM 2220 CB THR A 146 16.202 10.776 -0.047 1.00 0.57 C ATOM 2221 OG1 THR A 146 17.257 11.137 -0.922 1.00 0.56 O ATOM 2222 CG2 THR A 146 15.030 11.734 -0.261 1.00 0.43 C ATOM 0 H THR A 146 18.476 11.524 0.414 1.00 0.61 H new ATOM 0 HA THR A 146 16.039 11.465 2.003 1.00 0.72 H new ATOM 0 HB THR A 146 15.862 9.760 -0.246 1.00 0.57 H new ATOM 0 HG1 THR A 146 17.744 10.332 -1.197 1.00 0.56 H new ATOM 0 HG21 THR A 146 14.681 11.657 -1.291 1.00 0.43 H new ATOM 0 HG22 THR A 146 14.218 11.473 0.418 1.00 0.43 H new ATOM 0 HG23 THR A 146 15.354 12.756 -0.063 1.00 0.43 H new