USER MOD reduce.3.24.130724 H: found=0, std=0, add=854, rem=0, adj=20 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 41 GLN : amide:sc= -1.98 K(o=-2.9,f=-0.035) USER MOD Set 1.2: A 72 MET CE :methyl 168:sc= -0.899 (180deg=-0.00584) USER MOD Single : A 8 GLN : amide:sc= -0.0211 K(o=-0.021,f=-1.3!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 75:sc= 0.803 USER MOD Single : A 21 LYS NZ :NH3+ 161:sc= -0.0111 (180deg=-0.257) USER MOD Single : A 26 THR OG1 : rot -121:sc= 0.116 USER MOD Single : A 28 THR OG1 : rot -160:sc= -0.0614 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0.0376 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 180:sc= -0.013 USER MOD Single : A 36 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot -62:sc= 1.24 USER MOD Single : A 42 ASN : amide:sc= -0.224 K(o=-0.22,f=-2.4!) USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.48 USER MOD Single : A 49 GLN : amide:sc=-0.00117 K(o=-0.0012,f=-1.6!) 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 180:sc= 0 (180deg=0) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 107 HIS : no HD1:sc= -0.0198 X(o=-0.02,f=-0.21) USER MOD Single : A 109 MET CE :methyl 180:sc= -2.68 (180deg=-2.68) USER MOD Single : A 110 THR OG1 : rot -54:sc= -1.13! USER MOD Single : A 111 ASN : amide:sc= -0.0192 X(o=-0.019,f=-0.019) USER MOD Single : A 115 LYS NZ :NH3+ -156:sc= -1.32 (180deg=-1.97) USER MOD Single : A 117 THR OG1 : rot 180:sc= 0.00292 USER MOD Single : A 124 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 135 GLN : amide:sc= -4.31! C(o=-4.3!,f=-5.9!) USER MOD Single : A 137 ASN : amide:sc= -2.22! C(o=-2.2!,f=-12!) USER MOD Single : A 138 TYR OH : rot 180:sc= 0 USER MOD Single : A 143 GLN : amide:sc= 0 X(o=0,f=-0.072) USER MOD Single : A 144 MET CE :methyl -151:sc= 0 (180deg=-0.145) USER MOD Single : A 145 MET CE :methyl -157:sc= -0.837 (180deg=-3.28!) USER MOD Single : A 146 THR OG1 : rot 95:sc= -0.189 USER MOD ----------------------------------------------------------------- ATOM 105 N GLN A 8 14.028 1.965 -3.369 1.00 0.15 N ATOM 106 CA GLN A 8 12.694 2.326 -2.815 1.00 0.16 C ATOM 107 C GLN A 8 11.642 1.349 -3.340 1.00 0.17 C ATOM 108 O GLN A 8 10.736 0.961 -2.627 1.00 0.17 O ATOM 109 CB GLN A 8 12.325 3.752 -3.235 1.00 0.16 C ATOM 110 CG GLN A 8 13.154 4.755 -2.431 1.00 0.16 C ATOM 111 CD GLN A 8 12.937 6.160 -2.996 1.00 0.16 C ATOM 112 OE1 GLN A 8 12.708 6.323 -4.178 1.00 0.32 O ATOM 113 NE2 GLN A 8 13.001 7.189 -2.196 1.00 0.06 N ATOM 0 HA GLN A 8 12.730 2.272 -1.727 1.00 0.16 H new ATOM 0 HB2 GLN A 8 12.507 3.886 -4.301 1.00 0.16 H new ATOM 0 HB3 GLN A 8 11.262 3.927 -3.069 1.00 0.16 H new ATOM 0 HG2 GLN A 8 12.864 4.724 -1.381 1.00 0.16 H new ATOM 0 HG3 GLN A 8 14.211 4.491 -2.478 1.00 0.16 H new ATOM 0 HE21 GLN A 8 13.193 7.052 -1.204 1.00 0.06 H new ATOM 0 HE22 GLN A 8 12.859 8.130 -2.563 1.00 0.06 H new ATOM 122 N ILE A 9 11.752 0.938 -4.574 1.00 0.18 N ATOM 123 CA ILE A 9 10.753 -0.022 -5.122 1.00 0.19 C ATOM 124 C ILE A 9 10.907 -1.360 -4.402 1.00 0.13 C ATOM 125 O ILE A 9 9.945 -2.057 -4.148 1.00 0.13 O ATOM 126 CB ILE A 9 10.991 -0.217 -6.620 1.00 0.24 C ATOM 127 CG1 ILE A 9 10.744 1.109 -7.346 1.00 0.34 C ATOM 128 CG2 ILE A 9 10.028 -1.285 -7.154 1.00 0.20 C ATOM 129 CD1 ILE A 9 11.132 0.973 -8.818 1.00 0.37 C ATOM 0 H ILE A 9 12.486 1.223 -5.223 1.00 0.18 H new ATOM 0 HA ILE A 9 9.747 0.368 -4.970 1.00 0.19 H new ATOM 0 HB ILE A 9 12.018 -0.540 -6.791 1.00 0.24 H new ATOM 0 HG12 ILE A 9 9.694 1.390 -7.262 1.00 0.34 H new ATOM 0 HG13 ILE A 9 11.326 1.904 -6.879 1.00 0.34 H new ATOM 0 HG21 ILE A 9 10.196 -1.425 -8.222 1.00 0.20 H new ATOM 0 HG22 ILE A 9 10.203 -2.226 -6.632 1.00 0.20 H new ATOM 0 HG23 ILE A 9 9.000 -0.964 -6.988 1.00 0.20 H new ATOM 0 HD11 ILE A 9 10.954 1.919 -9.330 1.00 0.37 H new ATOM 0 HD12 ILE A 9 12.188 0.712 -8.893 1.00 0.37 H new ATOM 0 HD13 ILE A 9 10.531 0.191 -9.282 1.00 0.37 H new ATOM 141 N ALA A 10 12.112 -1.725 -4.066 1.00 0.10 N ATOM 142 CA ALA A 10 12.326 -3.016 -3.363 1.00 0.08 C ATOM 143 C ALA A 10 11.847 -2.890 -1.909 1.00 0.04 C ATOM 144 O ALA A 10 11.137 -3.739 -1.416 1.00 0.21 O ATOM 145 CB ALA A 10 13.821 -3.383 -3.411 1.00 0.13 C ATOM 0 H ALA A 10 12.957 -1.184 -4.249 1.00 0.10 H new ATOM 0 HA ALA A 10 11.756 -3.805 -3.853 1.00 0.08 H new ATOM 0 HB1 ALA A 10 13.980 -4.330 -2.896 1.00 0.13 H new ATOM 0 HB2 ALA A 10 14.139 -3.477 -4.449 1.00 0.13 H new ATOM 0 HB3 ALA A 10 14.403 -2.602 -2.922 1.00 0.13 H new ATOM 151 N GLU A 11 12.216 -1.839 -1.223 1.00 0.14 N ATOM 152 CA GLU A 11 11.775 -1.675 0.187 1.00 0.11 C ATOM 153 C GLU A 11 10.266 -1.916 0.280 1.00 0.11 C ATOM 154 O GLU A 11 9.797 -2.676 1.103 1.00 0.12 O ATOM 155 CB GLU A 11 12.123 -0.236 0.650 1.00 0.09 C ATOM 156 CG GLU A 11 12.975 -0.277 1.920 1.00 0.77 C ATOM 157 CD GLU A 11 13.304 1.151 2.359 1.00 0.83 C ATOM 158 OE1 GLU A 11 13.341 2.021 1.505 1.00 1.46 O ATOM 159 OE2 GLU A 11 13.513 1.351 3.546 1.00 1.27 O ATOM 0 H GLU A 11 12.805 -1.088 -1.583 1.00 0.14 H new ATOM 0 HA GLU A 11 12.282 -2.395 0.830 1.00 0.11 H new ATOM 0 HB2 GLU A 11 12.661 0.287 -0.140 1.00 0.09 H new ATOM 0 HB3 GLU A 11 11.207 0.325 0.837 1.00 0.09 H new ATOM 0 HG2 GLU A 11 12.440 -0.799 2.713 1.00 0.77 H new ATOM 0 HG3 GLU A 11 13.894 -0.833 1.736 1.00 0.77 H new ATOM 166 N PHE A 12 9.509 -1.277 -0.559 1.00 0.10 N ATOM 167 CA PHE A 12 8.036 -1.475 -0.517 1.00 0.10 C ATOM 168 C PHE A 12 7.714 -2.914 -0.918 1.00 0.12 C ATOM 169 O PHE A 12 6.766 -3.500 -0.437 1.00 0.13 O ATOM 170 CB PHE A 12 7.352 -0.509 -1.488 1.00 0.10 C ATOM 171 CG PHE A 12 7.893 0.909 -1.353 1.00 0.16 C ATOM 172 CD1 PHE A 12 8.423 1.386 -0.136 1.00 0.39 C ATOM 173 CD2 PHE A 12 7.842 1.763 -2.466 1.00 0.33 C ATOM 174 CE1 PHE A 12 8.891 2.704 -0.048 1.00 0.42 C ATOM 175 CE2 PHE A 12 8.315 3.073 -2.370 1.00 0.39 C ATOM 176 CZ PHE A 12 8.838 3.545 -1.163 1.00 0.32 C ATOM 0 H PHE A 12 9.843 -0.627 -1.271 1.00 0.10 H new ATOM 0 HA PHE A 12 7.672 -1.281 0.492 1.00 0.10 H new ATOM 0 HB2 PHE A 12 7.498 -0.858 -2.510 1.00 0.10 H new ATOM 0 HB3 PHE A 12 6.278 -0.507 -1.302 1.00 0.10 H new ATOM 0 HD1 PHE A 12 8.468 0.737 0.726 1.00 0.39 H new ATOM 0 HD2 PHE A 12 7.435 1.405 -3.400 1.00 0.33 H new ATOM 0 HE1 PHE A 12 9.294 3.071 0.884 1.00 0.42 H new ATOM 0 HE2 PHE A 12 8.277 3.724 -3.231 1.00 0.39 H new ATOM 0 HZ PHE A 12 9.201 4.560 -1.092 1.00 0.32 H new ATOM 186 N LYS A 13 8.493 -3.492 -1.787 1.00 0.12 N ATOM 187 CA LYS A 13 8.212 -4.894 -2.198 1.00 0.14 C ATOM 188 C LYS A 13 8.353 -5.812 -0.983 1.00 0.15 C ATOM 189 O LYS A 13 7.540 -6.688 -0.762 1.00 0.16 O ATOM 190 CB LYS A 13 9.193 -5.323 -3.293 1.00 0.15 C ATOM 191 CG LYS A 13 8.851 -6.749 -3.777 1.00 0.05 C ATOM 192 CD LYS A 13 9.326 -6.948 -5.229 1.00 0.25 C ATOM 193 CE LYS A 13 8.245 -6.473 -6.206 1.00 0.40 C ATOM 194 NZ LYS A 13 8.733 -6.647 -7.604 1.00 1.07 N ATOM 0 H LYS A 13 9.305 -3.059 -2.227 1.00 0.12 H new ATOM 0 HA LYS A 13 7.197 -4.962 -2.590 1.00 0.14 H new ATOM 0 HB2 LYS A 13 9.146 -4.625 -4.129 1.00 0.15 H new ATOM 0 HB3 LYS A 13 10.213 -5.294 -2.911 1.00 0.15 H new ATOM 0 HG2 LYS A 13 9.326 -7.485 -3.128 1.00 0.05 H new ATOM 0 HG3 LYS A 13 7.775 -6.914 -3.713 1.00 0.05 H new ATOM 0 HD2 LYS A 13 10.249 -6.393 -5.397 1.00 0.25 H new ATOM 0 HD3 LYS A 13 9.550 -8.000 -5.406 1.00 0.25 H new ATOM 0 HE2 LYS A 13 7.327 -7.042 -6.056 1.00 0.40 H new ATOM 0 HE3 LYS A 13 8.005 -5.426 -6.020 1.00 0.40 H new ATOM 0 HZ1 LYS A 13 8.001 -6.325 -8.270 1.00 1.07 H new ATOM 0 HZ2 LYS A 13 9.598 -6.086 -7.742 1.00 1.07 H new ATOM 0 HZ3 LYS A 13 8.941 -7.651 -7.777 1.00 1.07 H new ATOM 208 N GLU A 14 9.371 -5.617 -0.181 1.00 0.15 N ATOM 209 CA GLU A 14 9.532 -6.484 1.024 1.00 0.18 C ATOM 210 C GLU A 14 8.339 -6.264 1.949 1.00 0.14 C ATOM 211 O GLU A 14 7.704 -7.195 2.403 1.00 0.13 O ATOM 212 CB GLU A 14 10.817 -6.116 1.777 1.00 0.21 C ATOM 213 CG GLU A 14 11.984 -6.009 0.797 1.00 0.23 C ATOM 214 CD GLU A 14 13.310 -6.082 1.560 1.00 1.03 C ATOM 215 OE1 GLU A 14 13.524 -5.242 2.418 1.00 2.36 O ATOM 216 OE2 GLU A 14 14.090 -6.974 1.269 1.00 0.82 O ATOM 0 H GLU A 14 10.089 -4.903 -0.307 1.00 0.15 H new ATOM 0 HA GLU A 14 9.588 -7.526 0.710 1.00 0.18 H new ATOM 0 HB2 GLU A 14 10.683 -5.169 2.301 1.00 0.21 H new ATOM 0 HB3 GLU A 14 11.034 -6.871 2.533 1.00 0.21 H new ATOM 0 HG2 GLU A 14 11.931 -6.814 0.064 1.00 0.23 H new ATOM 0 HG3 GLU A 14 11.923 -5.071 0.245 1.00 0.23 H new ATOM 223 N ALA A 15 8.040 -5.029 2.228 1.00 0.14 N ATOM 224 CA ALA A 15 6.891 -4.720 3.127 1.00 0.10 C ATOM 225 C ALA A 15 5.591 -5.226 2.501 1.00 0.09 C ATOM 226 O ALA A 15 4.635 -5.530 3.187 1.00 0.08 O ATOM 227 CB ALA A 15 6.801 -3.207 3.338 1.00 0.09 C ATOM 0 H ALA A 15 8.542 -4.215 1.872 1.00 0.14 H new ATOM 0 HA ALA A 15 7.043 -5.214 4.086 1.00 0.10 H new ATOM 0 HB1 ALA A 15 5.961 -2.981 3.995 1.00 0.09 H new ATOM 0 HB2 ALA A 15 7.724 -2.847 3.792 1.00 0.09 H new ATOM 0 HB3 ALA A 15 6.653 -2.714 2.377 1.00 0.09 H new ATOM 233 N PHE A 16 5.546 -5.308 1.202 1.00 0.12 N ATOM 234 CA PHE A 16 4.306 -5.783 0.523 1.00 0.12 C ATOM 235 C PHE A 16 4.208 -7.307 0.605 1.00 0.13 C ATOM 236 O PHE A 16 3.161 -7.858 0.874 1.00 0.13 O ATOM 237 CB PHE A 16 4.352 -5.352 -0.943 1.00 0.16 C ATOM 238 CG PHE A 16 2.995 -5.536 -1.572 1.00 0.17 C ATOM 239 CD1 PHE A 16 2.063 -4.492 -1.539 1.00 0.17 C ATOM 240 CD2 PHE A 16 2.670 -6.746 -2.199 1.00 0.18 C ATOM 241 CE1 PHE A 16 0.809 -4.655 -2.129 1.00 0.19 C ATOM 242 CE2 PHE A 16 1.413 -6.907 -2.794 1.00 0.19 C ATOM 243 CZ PHE A 16 0.484 -5.860 -2.757 1.00 0.20 C ATOM 0 H PHE A 16 6.316 -5.066 0.578 1.00 0.12 H new ATOM 0 HA PHE A 16 3.435 -5.350 1.015 1.00 0.12 H new ATOM 0 HB2 PHE A 16 4.658 -4.308 -1.015 1.00 0.16 H new ATOM 0 HB3 PHE A 16 5.095 -5.940 -1.481 1.00 0.16 H new ATOM 0 HD1 PHE A 16 2.315 -3.559 -1.056 1.00 0.17 H new ATOM 0 HD2 PHE A 16 3.388 -7.553 -2.223 1.00 0.18 H new ATOM 0 HE1 PHE A 16 0.090 -3.850 -2.100 1.00 0.19 H new ATOM 0 HE2 PHE A 16 1.160 -7.837 -3.281 1.00 0.19 H new ATOM 0 HZ PHE A 16 -0.486 -5.984 -3.215 1.00 0.20 H new ATOM 253 N SER A 17 5.286 -7.994 0.362 1.00 0.14 N ATOM 254 CA SER A 17 5.250 -9.483 0.409 1.00 0.14 C ATOM 255 C SER A 17 5.097 -9.968 1.857 1.00 0.18 C ATOM 256 O SER A 17 4.736 -11.101 2.100 1.00 0.34 O ATOM 257 CB SER A 17 6.544 -10.039 -0.187 1.00 0.11 C ATOM 258 OG SER A 17 6.910 -9.259 -1.318 1.00 1.18 O ATOM 0 H SER A 17 6.194 -7.589 0.132 1.00 0.14 H new ATOM 0 HA SER A 17 4.397 -9.837 -0.169 1.00 0.14 H new ATOM 0 HB2 SER A 17 7.340 -10.018 0.557 1.00 0.11 H new ATOM 0 HB3 SER A 17 6.407 -11.081 -0.477 1.00 0.11 H new ATOM 0 HG SER A 17 7.272 -8.399 -1.019 1.00 1.18 H new ATOM 264 N LEU A 18 5.369 -9.128 2.822 1.00 0.08 N ATOM 265 CA LEU A 18 5.235 -9.569 4.241 1.00 0.08 C ATOM 266 C LEU A 18 3.786 -9.992 4.513 1.00 0.10 C ATOM 267 O LEU A 18 3.525 -10.767 5.412 1.00 0.15 O ATOM 268 CB LEU A 18 5.614 -8.412 5.192 1.00 0.10 C ATOM 269 CG LEU A 18 7.132 -8.391 5.473 1.00 0.17 C ATOM 270 CD1 LEU A 18 7.473 -7.165 6.346 1.00 0.24 C ATOM 271 CD2 LEU A 18 7.564 -9.684 6.208 1.00 0.18 C ATOM 0 H LEU A 18 5.675 -8.164 2.690 1.00 0.08 H new ATOM 0 HA LEU A 18 5.904 -10.412 4.414 1.00 0.08 H new ATOM 0 HB2 LEU A 18 5.310 -7.462 4.752 1.00 0.10 H new ATOM 0 HB3 LEU A 18 5.070 -8.517 6.131 1.00 0.10 H new ATOM 0 HG LEU A 18 7.666 -8.331 4.525 1.00 0.17 H new ATOM 0 HD11 LEU A 18 8.544 -7.148 6.546 1.00 0.24 H new ATOM 0 HD12 LEU A 18 7.187 -6.254 5.821 1.00 0.24 H new ATOM 0 HD13 LEU A 18 6.929 -7.227 7.288 1.00 0.24 H new ATOM 0 HD21 LEU A 18 8.637 -9.653 6.398 1.00 0.18 H new ATOM 0 HD22 LEU A 18 7.029 -9.760 7.155 1.00 0.18 H new ATOM 0 HD23 LEU A 18 7.330 -10.550 5.589 1.00 0.18 H new ATOM 283 N PHE A 19 2.842 -9.468 3.764 1.00 0.11 N ATOM 284 CA PHE A 19 1.401 -9.818 4.000 1.00 0.15 C ATOM 285 C PHE A 19 0.804 -10.511 2.774 1.00 0.21 C ATOM 286 O PHE A 19 -0.397 -10.619 2.636 1.00 0.35 O ATOM 287 CB PHE A 19 0.645 -8.530 4.305 1.00 0.16 C ATOM 288 CG PHE A 19 1.325 -7.867 5.475 1.00 0.09 C ATOM 289 CD1 PHE A 19 2.489 -7.119 5.268 1.00 0.08 C ATOM 290 CD2 PHE A 19 0.809 -8.022 6.764 1.00 0.08 C ATOM 291 CE1 PHE A 19 3.137 -6.522 6.355 1.00 0.08 C ATOM 292 CE2 PHE A 19 1.457 -7.423 7.852 1.00 0.06 C ATOM 293 CZ PHE A 19 2.621 -6.672 7.647 1.00 0.07 C ATOM 0 H PHE A 19 3.007 -8.813 2.999 1.00 0.11 H new ATOM 0 HA PHE A 19 1.320 -10.509 4.839 1.00 0.15 H new ATOM 0 HB2 PHE A 19 0.647 -7.870 3.437 1.00 0.16 H new ATOM 0 HB3 PHE A 19 -0.398 -8.745 4.540 1.00 0.16 H new ATOM 0 HD1 PHE A 19 2.887 -7.003 4.271 1.00 0.08 H new ATOM 0 HD2 PHE A 19 -0.088 -8.603 6.921 1.00 0.08 H new ATOM 0 HE1 PHE A 19 4.036 -5.945 6.197 1.00 0.08 H new ATOM 0 HE2 PHE A 19 1.059 -7.540 8.849 1.00 0.06 H new ATOM 0 HZ PHE A 19 3.120 -6.209 8.485 1.00 0.07 H new ATOM 303 N ASP A 20 1.636 -11.010 1.894 1.00 0.15 N ATOM 304 CA ASP A 20 1.123 -11.727 0.685 1.00 0.21 C ATOM 305 C ASP A 20 1.220 -13.238 0.944 1.00 0.36 C ATOM 306 O ASP A 20 2.027 -13.930 0.354 1.00 0.40 O ATOM 307 CB ASP A 20 1.984 -11.370 -0.531 1.00 0.09 C ATOM 308 CG ASP A 20 1.444 -12.084 -1.772 1.00 0.09 C ATOM 309 OD1 ASP A 20 0.243 -12.040 -1.981 1.00 1.01 O ATOM 310 OD2 ASP A 20 2.242 -12.659 -2.494 1.00 1.15 O ATOM 0 H ASP A 20 2.652 -10.952 1.961 1.00 0.15 H new ATOM 0 HA ASP A 20 0.090 -11.437 0.490 1.00 0.21 H new ATOM 0 HB2 ASP A 20 1.978 -10.291 -0.689 1.00 0.09 H new ATOM 0 HB3 ASP A 20 3.019 -11.661 -0.354 1.00 0.09 H new ATOM 315 N LYS A 21 0.418 -13.745 1.845 1.00 0.49 N ATOM 316 CA LYS A 21 0.474 -15.203 2.177 1.00 0.65 C ATOM 317 C LYS A 21 -0.267 -16.032 1.130 1.00 0.65 C ATOM 318 O LYS A 21 -0.367 -17.238 1.235 1.00 0.74 O ATOM 319 CB LYS A 21 -0.186 -15.429 3.535 1.00 0.83 C ATOM 320 CG LYS A 21 0.520 -14.591 4.612 1.00 0.83 C ATOM 321 CD LYS A 21 1.824 -15.272 5.046 1.00 0.92 C ATOM 322 CE LYS A 21 2.366 -14.581 6.299 1.00 0.98 C ATOM 323 NZ LYS A 21 1.542 -14.974 7.478 1.00 0.57 N ATOM 0 H LYS A 21 -0.276 -13.211 2.368 1.00 0.49 H new ATOM 0 HA LYS A 21 1.519 -15.513 2.197 1.00 0.65 H new ATOM 0 HB2 LYS A 21 -1.240 -15.157 3.485 1.00 0.83 H new ATOM 0 HB3 LYS A 21 -0.141 -16.486 3.798 1.00 0.83 H new ATOM 0 HG2 LYS A 21 0.733 -13.594 4.225 1.00 0.83 H new ATOM 0 HG3 LYS A 21 -0.137 -14.465 5.473 1.00 0.83 H new ATOM 0 HD2 LYS A 21 1.646 -16.328 5.248 1.00 0.92 H new ATOM 0 HD3 LYS A 21 2.559 -15.221 4.243 1.00 0.92 H new ATOM 0 HE2 LYS A 21 3.407 -14.860 6.460 1.00 0.98 H new ATOM 0 HE3 LYS A 21 2.343 -13.499 6.170 1.00 0.98 H new ATOM 0 HZ1 LYS A 21 2.073 -14.783 8.352 1.00 0.57 H new ATOM 0 HZ2 LYS A 21 0.659 -14.425 7.483 1.00 0.57 H new ATOM 0 HZ3 LYS A 21 1.319 -15.988 7.423 1.00 0.57 H new ATOM 337 N ASP A 22 -0.787 -15.397 0.129 1.00 0.57 N ATOM 338 CA ASP A 22 -1.535 -16.131 -0.940 1.00 0.59 C ATOM 339 C ASP A 22 -0.621 -16.339 -2.150 1.00 0.47 C ATOM 340 O ASP A 22 -1.045 -16.812 -3.185 1.00 0.42 O ATOM 341 CB ASP A 22 -2.754 -15.309 -1.361 1.00 0.65 C ATOM 342 CG ASP A 22 -3.695 -15.143 -0.167 1.00 0.80 C ATOM 343 OD1 ASP A 22 -4.348 -16.110 0.186 1.00 1.47 O ATOM 344 OD2 ASP A 22 -3.746 -14.050 0.374 1.00 0.98 O ATOM 0 H ASP A 22 -0.730 -14.387 -0.005 1.00 0.57 H new ATOM 0 HA ASP A 22 -1.860 -17.099 -0.558 1.00 0.59 H new ATOM 0 HB2 ASP A 22 -2.438 -14.332 -1.727 1.00 0.65 H new ATOM 0 HB3 ASP A 22 -3.274 -15.804 -2.181 1.00 0.65 H new ATOM 349 N GLY A 23 0.633 -15.992 -2.027 1.00 0.43 N ATOM 350 CA GLY A 23 1.572 -16.171 -3.168 1.00 0.32 C ATOM 351 C GLY A 23 0.952 -15.576 -4.428 1.00 0.24 C ATOM 352 O GLY A 23 1.306 -15.930 -5.535 1.00 0.17 O ATOM 0 H GLY A 23 1.046 -15.592 -1.184 1.00 0.43 H new ATOM 0 HA2 GLY A 23 2.523 -15.684 -2.952 1.00 0.32 H new ATOM 0 HA3 GLY A 23 1.783 -17.230 -3.318 1.00 0.32 H new ATOM 356 N ASP A 24 0.021 -14.675 -4.263 1.00 0.29 N ATOM 357 CA ASP A 24 -0.643 -14.044 -5.443 1.00 0.29 C ATOM 358 C ASP A 24 -0.022 -12.672 -5.706 1.00 0.28 C ATOM 359 O ASP A 24 -0.386 -11.988 -6.641 1.00 0.28 O ATOM 360 CB ASP A 24 -2.135 -13.875 -5.153 1.00 0.41 C ATOM 361 CG ASP A 24 -2.873 -13.542 -6.451 1.00 0.45 C ATOM 362 OD1 ASP A 24 -2.714 -14.286 -7.405 1.00 1.01 O ATOM 363 OD2 ASP A 24 -3.583 -12.550 -6.469 1.00 1.32 O ATOM 0 H ASP A 24 -0.311 -14.346 -3.356 1.00 0.29 H new ATOM 0 HA ASP A 24 -0.508 -14.679 -6.319 1.00 0.29 H new ATOM 0 HB2 ASP A 24 -2.538 -14.790 -4.718 1.00 0.41 H new ATOM 0 HB3 ASP A 24 -2.287 -13.081 -4.422 1.00 0.41 H new ATOM 368 N GLY A 25 0.913 -12.263 -4.893 1.00 0.29 N ATOM 369 CA GLY A 25 1.551 -10.936 -5.111 1.00 0.30 C ATOM 370 C GLY A 25 0.529 -9.824 -4.832 1.00 0.26 C ATOM 371 O GLY A 25 0.613 -8.749 -5.392 1.00 0.29 O ATOM 0 H GLY A 25 1.261 -12.788 -4.091 1.00 0.29 H new ATOM 0 HA2 GLY A 25 2.415 -10.824 -4.455 1.00 0.30 H new ATOM 0 HA3 GLY A 25 1.916 -10.860 -6.135 1.00 0.30 H new ATOM 375 N THR A 26 -0.438 -10.067 -3.971 1.00 0.20 N ATOM 376 CA THR A 26 -1.458 -9.017 -3.661 1.00 0.19 C ATOM 377 C THR A 26 -1.768 -9.026 -2.162 1.00 0.13 C ATOM 378 O THR A 26 -1.417 -9.945 -1.448 1.00 0.09 O ATOM 379 CB THR A 26 -2.750 -9.292 -4.433 1.00 0.20 C ATOM 380 OG1 THR A 26 -3.301 -10.532 -4.009 1.00 0.20 O ATOM 381 CG2 THR A 26 -2.456 -9.350 -5.933 1.00 0.23 C ATOM 0 H THR A 26 -0.561 -10.948 -3.472 1.00 0.20 H new ATOM 0 HA THR A 26 -1.058 -8.046 -3.954 1.00 0.19 H new ATOM 0 HB THR A 26 -3.462 -8.490 -4.238 1.00 0.20 H new ATOM 0 HG1 THR A 26 -3.380 -11.135 -4.778 1.00 0.20 H new ATOM 0 HG21 THR A 26 -3.380 -9.546 -6.477 1.00 0.23 H new ATOM 0 HG22 THR A 26 -2.038 -8.398 -6.259 1.00 0.23 H new ATOM 0 HG23 THR A 26 -1.741 -10.148 -6.133 1.00 0.23 H new ATOM 389 N ILE A 27 -2.439 -8.009 -1.684 1.00 0.14 N ATOM 390 CA ILE A 27 -2.798 -7.943 -0.234 1.00 0.11 C ATOM 391 C ILE A 27 -4.214 -7.388 -0.107 1.00 0.16 C ATOM 392 O ILE A 27 -4.724 -6.757 -1.012 1.00 0.24 O ATOM 393 CB ILE A 27 -1.813 -7.029 0.505 1.00 0.10 C ATOM 394 CG1 ILE A 27 -1.842 -5.621 -0.110 1.00 0.16 C ATOM 395 CG2 ILE A 27 -0.401 -7.610 0.396 1.00 0.07 C ATOM 396 CD1 ILE A 27 -0.886 -4.703 0.658 1.00 0.16 C ATOM 0 H ILE A 27 -2.756 -7.215 -2.240 1.00 0.14 H new ATOM 0 HA ILE A 27 -2.749 -8.939 0.206 1.00 0.11 H new ATOM 0 HB ILE A 27 -2.101 -6.964 1.554 1.00 0.10 H new ATOM 0 HG12 ILE A 27 -1.553 -5.666 -1.160 1.00 0.16 H new ATOM 0 HG13 ILE A 27 -2.855 -5.219 -0.075 1.00 0.16 H new ATOM 0 HG21 ILE A 27 0.301 -6.962 0.921 1.00 0.07 H new ATOM 0 HG22 ILE A 27 -0.381 -8.604 0.843 1.00 0.07 H new ATOM 0 HG23 ILE A 27 -0.116 -7.679 -0.654 1.00 0.07 H new ATOM 0 HD11 ILE A 27 -0.909 -3.705 0.220 1.00 0.16 H new ATOM 0 HD12 ILE A 27 -1.195 -4.648 1.702 1.00 0.16 H new ATOM 0 HD13 ILE A 27 0.127 -5.102 0.600 1.00 0.16 H new ATOM 408 N THR A 28 -4.860 -7.612 1.003 1.00 0.17 N ATOM 409 CA THR A 28 -6.246 -7.091 1.169 1.00 0.22 C ATOM 410 C THR A 28 -6.210 -5.671 1.723 1.00 0.18 C ATOM 411 O THR A 28 -5.207 -5.209 2.226 1.00 0.10 O ATOM 412 CB THR A 28 -7.016 -7.969 2.150 1.00 0.27 C ATOM 413 OG1 THR A 28 -6.754 -7.532 3.478 1.00 0.26 O ATOM 414 CG2 THR A 28 -6.579 -9.424 1.997 1.00 0.29 C ATOM 0 H THR A 28 -4.491 -8.131 1.800 1.00 0.17 H new ATOM 0 HA THR A 28 -6.735 -7.098 0.195 1.00 0.22 H new ATOM 0 HB THR A 28 -8.083 -7.892 1.942 1.00 0.27 H new ATOM 0 HG1 THR A 28 -6.970 -8.251 4.108 1.00 0.26 H new ATOM 0 HG21 THR A 28 -7.133 -10.046 2.700 1.00 0.29 H new ATOM 0 HG22 THR A 28 -6.780 -9.759 0.980 1.00 0.29 H new ATOM 0 HG23 THR A 28 -5.512 -9.507 2.202 1.00 0.29 H new ATOM 422 N THR A 29 -7.315 -4.986 1.651 1.00 0.24 N ATOM 423 CA THR A 29 -7.371 -3.605 2.190 1.00 0.20 C ATOM 424 C THR A 29 -7.202 -3.658 3.708 1.00 0.20 C ATOM 425 O THR A 29 -6.700 -2.739 4.322 1.00 0.17 O ATOM 426 CB THR A 29 -8.734 -2.996 1.851 1.00 0.21 C ATOM 427 OG1 THR A 29 -9.747 -3.974 2.052 1.00 0.25 O ATOM 428 CG2 THR A 29 -8.752 -2.540 0.393 1.00 0.22 C ATOM 0 H THR A 29 -8.184 -5.326 1.240 1.00 0.24 H new ATOM 0 HA THR A 29 -6.578 -2.998 1.753 1.00 0.20 H new ATOM 0 HB THR A 29 -8.916 -2.137 2.497 1.00 0.21 H new ATOM 0 HG1 THR A 29 -10.622 -3.588 1.838 1.00 0.25 H new ATOM 0 HG21 THR A 29 -9.725 -2.108 0.159 1.00 0.22 H new ATOM 0 HG22 THR A 29 -7.975 -1.792 0.236 1.00 0.22 H new ATOM 0 HG23 THR A 29 -8.569 -3.395 -0.258 1.00 0.22 H new ATOM 436 N LYS A 30 -7.629 -4.731 4.315 1.00 0.24 N ATOM 437 CA LYS A 30 -7.504 -4.853 5.792 1.00 0.25 C ATOM 438 C LYS A 30 -6.030 -4.820 6.191 1.00 0.24 C ATOM 439 O LYS A 30 -5.685 -4.415 7.283 1.00 0.24 O ATOM 440 CB LYS A 30 -8.130 -6.175 6.247 1.00 0.30 C ATOM 441 CG LYS A 30 -9.630 -6.171 5.932 1.00 0.37 C ATOM 442 CD LYS A 30 -10.168 -7.605 5.956 1.00 1.08 C ATOM 443 CE LYS A 30 -9.888 -8.237 7.322 1.00 1.83 C ATOM 444 NZ LYS A 30 -10.764 -9.427 7.505 1.00 2.30 N ATOM 0 H LYS A 30 -8.060 -5.530 3.849 1.00 0.24 H new ATOM 0 HA LYS A 30 -8.022 -4.021 6.269 1.00 0.25 H new ATOM 0 HB2 LYS A 30 -7.645 -7.011 5.743 1.00 0.30 H new ATOM 0 HB3 LYS A 30 -7.973 -6.314 7.317 1.00 0.30 H new ATOM 0 HG2 LYS A 30 -10.163 -5.561 6.661 1.00 0.37 H new ATOM 0 HG3 LYS A 30 -9.804 -5.723 4.954 1.00 0.37 H new ATOM 0 HD2 LYS A 30 -11.240 -7.605 5.757 1.00 1.08 H new ATOM 0 HD3 LYS A 30 -9.697 -8.194 5.169 1.00 1.08 H new ATOM 0 HE2 LYS A 30 -8.840 -8.529 7.392 1.00 1.83 H new ATOM 0 HE3 LYS A 30 -10.071 -7.512 8.115 1.00 1.83 H new ATOM 0 HZ1 LYS A 30 -10.575 -9.858 8.433 1.00 2.30 H new ATOM 0 HZ2 LYS A 30 -11.761 -9.135 7.455 1.00 2.30 H new ATOM 0 HZ3 LYS A 30 -10.569 -10.121 6.755 1.00 2.30 H new ATOM 458 N GLU A 31 -5.156 -5.244 5.317 1.00 0.24 N ATOM 459 CA GLU A 31 -3.692 -5.241 5.648 1.00 0.23 C ATOM 460 C GLU A 31 -3.015 -4.025 5.010 1.00 0.23 C ATOM 461 O GLU A 31 -1.804 -3.937 4.967 1.00 0.26 O ATOM 462 CB GLU A 31 -3.030 -6.509 5.102 1.00 0.23 C ATOM 463 CG GLU A 31 -3.770 -7.749 5.609 1.00 0.25 C ATOM 464 CD GLU A 31 -3.329 -8.968 4.795 1.00 0.31 C ATOM 465 OE1 GLU A 31 -3.149 -8.821 3.597 1.00 0.37 O ATOM 466 OE2 GLU A 31 -3.181 -10.027 5.381 1.00 0.44 O ATOM 0 H GLU A 31 -5.388 -5.593 4.387 1.00 0.24 H new ATOM 0 HA GLU A 31 -3.582 -5.202 6.732 1.00 0.23 H new ATOM 0 HB2 GLU A 31 -3.037 -6.492 4.012 1.00 0.23 H new ATOM 0 HB3 GLU A 31 -1.986 -6.546 5.413 1.00 0.23 H new ATOM 0 HG2 GLU A 31 -3.557 -7.907 6.666 1.00 0.25 H new ATOM 0 HG3 GLU A 31 -4.847 -7.607 5.518 1.00 0.25 H new ATOM 473 N LEU A 32 -3.774 -3.091 4.509 1.00 0.19 N ATOM 474 CA LEU A 32 -3.144 -1.898 3.875 1.00 0.18 C ATOM 475 C LEU A 32 -2.492 -1.036 4.959 1.00 0.17 C ATOM 476 O LEU A 32 -1.337 -0.671 4.862 1.00 0.16 O ATOM 477 CB LEU A 32 -4.211 -1.085 3.127 1.00 0.19 C ATOM 478 CG LEU A 32 -3.610 0.227 2.594 1.00 0.19 C ATOM 479 CD1 LEU A 32 -2.359 -0.064 1.754 1.00 0.20 C ATOM 480 CD2 LEU A 32 -4.654 0.943 1.728 1.00 0.19 C ATOM 0 H LEU A 32 -4.794 -3.100 4.510 1.00 0.19 H new ATOM 0 HA LEU A 32 -2.383 -2.219 3.164 1.00 0.18 H new ATOM 0 HB2 LEU A 32 -4.611 -1.672 2.300 1.00 0.19 H new ATOM 0 HB3 LEU A 32 -5.044 -0.866 3.794 1.00 0.19 H new ATOM 0 HG LEU A 32 -3.328 0.860 3.436 1.00 0.19 H new ATOM 0 HD11 LEU A 32 -1.944 0.873 1.383 1.00 0.20 H new ATOM 0 HD12 LEU A 32 -1.617 -0.571 2.370 1.00 0.20 H new ATOM 0 HD13 LEU A 32 -2.627 -0.701 0.911 1.00 0.20 H new ATOM 0 HD21 LEU A 32 -4.234 1.874 1.347 1.00 0.19 H new ATOM 0 HD22 LEU A 32 -4.934 0.302 0.892 1.00 0.19 H new ATOM 0 HD23 LEU A 32 -5.537 1.162 2.329 1.00 0.19 H new ATOM 492 N GLY A 33 -3.219 -0.706 5.991 1.00 0.19 N ATOM 493 CA GLY A 33 -2.632 0.130 7.072 1.00 0.18 C ATOM 494 C GLY A 33 -1.505 -0.639 7.755 1.00 0.17 C ATOM 495 O GLY A 33 -0.642 -0.062 8.383 1.00 0.15 O ATOM 0 H GLY A 33 -4.192 -0.979 6.131 1.00 0.19 H new ATOM 0 HA2 GLY A 33 -2.251 1.063 6.658 1.00 0.18 H new ATOM 0 HA3 GLY A 33 -3.400 0.394 7.800 1.00 0.18 H new ATOM 499 N THR A 34 -1.502 -1.938 7.644 1.00 0.24 N ATOM 500 CA THR A 34 -0.429 -2.734 8.300 1.00 0.22 C ATOM 501 C THR A 34 0.878 -2.588 7.516 1.00 0.16 C ATOM 502 O THR A 34 1.941 -2.448 8.087 1.00 0.13 O ATOM 503 CB THR A 34 -0.849 -4.209 8.354 1.00 0.27 C ATOM 504 OG1 THR A 34 -2.231 -4.294 8.669 1.00 0.37 O ATOM 505 CG2 THR A 34 -0.040 -4.952 9.424 1.00 0.26 C ATOM 0 H THR A 34 -2.195 -2.481 7.129 1.00 0.24 H new ATOM 0 HA THR A 34 -0.273 -2.368 9.315 1.00 0.22 H new ATOM 0 HB THR A 34 -0.660 -4.667 7.383 1.00 0.27 H new ATOM 0 HG1 THR A 34 -2.502 -5.235 8.702 1.00 0.37 H new ATOM 0 HG21 THR A 34 -0.348 -5.997 9.452 1.00 0.26 H new ATOM 0 HG22 THR A 34 1.022 -4.892 9.184 1.00 0.26 H new ATOM 0 HG23 THR A 34 -0.218 -4.495 10.397 1.00 0.26 H new ATOM 513 N VAL A 35 0.811 -2.610 6.215 1.00 0.16 N ATOM 514 CA VAL A 35 2.054 -2.459 5.407 1.00 0.12 C ATOM 515 C VAL A 35 2.582 -1.034 5.582 1.00 0.09 C ATOM 516 O VAL A 35 3.751 -0.815 5.839 1.00 0.07 O ATOM 517 CB VAL A 35 1.743 -2.714 3.930 1.00 0.18 C ATOM 518 CG1 VAL A 35 3.007 -2.506 3.096 1.00 0.19 C ATOM 519 CG2 VAL A 35 1.255 -4.153 3.757 1.00 0.18 C ATOM 0 H VAL A 35 -0.048 -2.726 5.677 1.00 0.16 H new ATOM 0 HA VAL A 35 2.803 -3.177 5.741 1.00 0.12 H new ATOM 0 HB VAL A 35 0.971 -2.021 3.597 1.00 0.18 H new ATOM 0 HG11 VAL A 35 2.783 -2.688 2.045 1.00 0.19 H new ATOM 0 HG12 VAL A 35 3.360 -1.482 3.220 1.00 0.19 H new ATOM 0 HG13 VAL A 35 3.780 -3.199 3.428 1.00 0.19 H new ATOM 0 HG21 VAL A 35 1.033 -4.338 2.706 1.00 0.18 H new ATOM 0 HG22 VAL A 35 2.030 -4.843 4.091 1.00 0.18 H new ATOM 0 HG23 VAL A 35 0.354 -4.305 4.351 1.00 0.18 H new ATOM 529 N MET A 36 1.720 -0.063 5.458 1.00 0.09 N ATOM 530 CA MET A 36 2.157 1.348 5.626 1.00 0.07 C ATOM 531 C MET A 36 2.753 1.529 7.024 1.00 0.07 C ATOM 532 O MET A 36 3.660 2.312 7.222 1.00 0.14 O ATOM 533 CB MET A 36 0.943 2.271 5.465 1.00 0.13 C ATOM 534 CG MET A 36 0.575 2.414 3.976 1.00 0.16 C ATOM 535 SD MET A 36 1.416 3.860 3.279 1.00 0.76 S ATOM 536 CE MET A 36 0.125 4.338 2.105 1.00 0.09 C ATOM 0 H MET A 36 0.730 -0.188 5.247 1.00 0.09 H new ATOM 0 HA MET A 36 2.908 1.595 4.876 1.00 0.07 H new ATOM 0 HB2 MET A 36 0.095 1.868 6.019 1.00 0.13 H new ATOM 0 HB3 MET A 36 1.164 3.251 5.888 1.00 0.13 H new ATOM 0 HG2 MET A 36 0.864 1.515 3.432 1.00 0.16 H new ATOM 0 HG3 MET A 36 -0.504 2.520 3.866 1.00 0.16 H new ATOM 0 HE1 MET A 36 0.442 5.226 1.557 1.00 0.09 H new ATOM 0 HE2 MET A 36 -0.049 3.522 1.404 1.00 0.09 H new ATOM 0 HE3 MET A 36 -0.796 4.555 2.646 1.00 0.09 H new ATOM 546 N ARG A 37 2.251 0.813 7.997 1.00 0.09 N ATOM 547 CA ARG A 37 2.795 0.955 9.376 1.00 0.11 C ATOM 548 C ARG A 37 4.204 0.356 9.437 1.00 0.09 C ATOM 549 O ARG A 37 5.048 0.810 10.184 1.00 0.14 O ATOM 550 CB ARG A 37 1.873 0.237 10.371 1.00 0.15 C ATOM 551 CG ARG A 37 0.681 1.140 10.710 1.00 0.19 C ATOM 552 CD ARG A 37 -0.402 0.323 11.414 1.00 1.21 C ATOM 553 NE ARG A 37 0.193 -0.384 12.582 1.00 0.88 N ATOM 554 CZ ARG A 37 -0.576 -0.875 13.514 1.00 1.24 C ATOM 555 NH1 ARG A 37 -1.873 -0.758 13.423 1.00 1.95 N ATOM 556 NH2 ARG A 37 -0.046 -1.486 14.539 1.00 1.12 N ATOM 0 H ARG A 37 1.492 0.140 7.895 1.00 0.09 H new ATOM 0 HA ARG A 37 2.846 2.011 9.639 1.00 0.11 H new ATOM 0 HB2 ARG A 37 1.521 -0.702 9.944 1.00 0.15 H new ATOM 0 HB3 ARG A 37 2.423 -0.012 11.278 1.00 0.15 H new ATOM 0 HG2 ARG A 37 1.005 1.960 11.350 1.00 0.19 H new ATOM 0 HG3 ARG A 37 0.280 1.585 9.800 1.00 0.19 H new ATOM 0 HD2 ARG A 37 -1.210 0.977 11.743 1.00 1.21 H new ATOM 0 HD3 ARG A 37 -0.837 -0.398 10.722 1.00 1.21 H new ATOM 0 HE ARG A 37 1.206 -0.485 12.653 1.00 0.88 H new ATOM 0 HH11 ARG A 37 -2.287 -0.282 12.622 1.00 1.95 H new ATOM 0 HH12 ARG A 37 -2.472 -1.143 14.153 1.00 1.95 H new ATOM 0 HH21 ARG A 37 0.967 -1.578 14.610 1.00 1.12 H new ATOM 0 HH22 ARG A 37 -0.645 -1.871 15.269 1.00 1.12 H new ATOM 570 N SER A 38 4.473 -0.649 8.650 1.00 0.06 N ATOM 571 CA SER A 38 5.832 -1.253 8.668 1.00 0.11 C ATOM 572 C SER A 38 6.848 -0.205 8.207 1.00 0.15 C ATOM 573 O SER A 38 7.978 -0.181 8.654 1.00 0.21 O ATOM 574 CB SER A 38 5.874 -2.453 7.721 1.00 0.11 C ATOM 575 OG SER A 38 6.062 -1.994 6.388 1.00 0.19 O ATOM 0 H SER A 38 3.814 -1.075 7.999 1.00 0.06 H new ATOM 0 HA SER A 38 6.073 -1.584 9.678 1.00 0.11 H new ATOM 0 HB2 SER A 38 6.684 -3.126 8.004 1.00 0.11 H new ATOM 0 HB3 SER A 38 4.947 -3.022 7.795 1.00 0.11 H new ATOM 0 HG SER A 38 5.306 -1.428 6.127 1.00 0.19 H new ATOM 581 N LEU A 39 6.452 0.659 7.312 1.00 0.11 N ATOM 582 CA LEU A 39 7.394 1.706 6.817 1.00 0.14 C ATOM 583 C LEU A 39 7.489 2.847 7.837 1.00 0.15 C ATOM 584 O LEU A 39 8.225 3.795 7.650 1.00 0.18 O ATOM 585 CB LEU A 39 6.895 2.252 5.479 1.00 0.14 C ATOM 586 CG LEU A 39 6.583 1.090 4.529 1.00 0.13 C ATOM 587 CD1 LEU A 39 6.003 1.645 3.227 1.00 0.14 C ATOM 588 CD2 LEU A 39 7.868 0.308 4.221 1.00 0.15 C ATOM 0 H LEU A 39 5.518 0.686 6.902 1.00 0.11 H new ATOM 0 HA LEU A 39 8.382 1.265 6.683 1.00 0.14 H new ATOM 0 HB2 LEU A 39 6.002 2.858 5.633 1.00 0.14 H new ATOM 0 HB3 LEU A 39 7.649 2.903 5.037 1.00 0.14 H new ATOM 0 HG LEU A 39 5.862 0.423 5.000 1.00 0.13 H new ATOM 0 HD11 LEU A 39 5.780 0.822 2.548 1.00 0.14 H new ATOM 0 HD12 LEU A 39 5.088 2.196 3.442 1.00 0.14 H new ATOM 0 HD13 LEU A 39 6.728 2.313 2.761 1.00 0.14 H new ATOM 0 HD21 LEU A 39 7.639 -0.516 3.545 1.00 0.15 H new ATOM 0 HD22 LEU A 39 8.594 0.972 3.751 1.00 0.15 H new ATOM 0 HD23 LEU A 39 8.284 -0.087 5.148 1.00 0.15 H new ATOM 600 N GLY A 40 6.766 2.758 8.924 1.00 0.14 N ATOM 601 CA GLY A 40 6.835 3.831 9.965 1.00 0.16 C ATOM 602 C GLY A 40 5.800 4.933 9.687 1.00 0.15 C ATOM 603 O GLY A 40 5.945 6.049 10.141 1.00 0.10 O ATOM 0 H GLY A 40 6.130 1.989 9.137 1.00 0.14 H new ATOM 0 HA2 GLY A 40 6.657 3.399 10.950 1.00 0.16 H new ATOM 0 HA3 GLY A 40 7.836 4.263 9.982 1.00 0.16 H new ATOM 607 N GLN A 41 4.755 4.629 8.953 1.00 0.22 N ATOM 608 CA GLN A 41 3.705 5.661 8.657 1.00 0.22 C ATOM 609 C GLN A 41 2.456 5.357 9.492 1.00 0.21 C ATOM 610 O GLN A 41 2.124 4.212 9.718 1.00 0.19 O ATOM 611 CB GLN A 41 3.350 5.601 7.170 1.00 0.20 C ATOM 612 CG GLN A 41 4.560 6.037 6.339 1.00 0.22 C ATOM 613 CD GLN A 41 4.304 5.733 4.862 1.00 1.21 C ATOM 614 OE1 GLN A 41 3.410 6.295 4.262 1.00 1.58 O ATOM 615 NE2 GLN A 41 5.058 4.864 4.247 1.00 2.55 N ATOM 0 H GLN A 41 4.582 3.710 8.545 1.00 0.22 H new ATOM 0 HA GLN A 41 4.079 6.655 8.904 1.00 0.22 H new ATOM 0 HB2 GLN A 41 3.053 4.588 6.896 1.00 0.20 H new ATOM 0 HB3 GLN A 41 2.499 6.250 6.962 1.00 0.20 H new ATOM 0 HG2 GLN A 41 4.742 7.103 6.475 1.00 0.22 H new ATOM 0 HG3 GLN A 41 5.454 5.515 6.679 1.00 0.22 H new ATOM 0 HE21 GLN A 41 5.809 4.392 4.752 1.00 2.55 H new ATOM 0 HE22 GLN A 41 4.897 4.656 3.261 1.00 2.55 H new ATOM 624 N ASN A 42 1.765 6.367 9.963 1.00 0.21 N ATOM 625 CA ASN A 42 0.539 6.127 10.796 1.00 0.21 C ATOM 626 C ASN A 42 -0.602 7.049 10.348 1.00 0.19 C ATOM 627 O ASN A 42 -0.917 8.002 11.034 1.00 0.20 O ATOM 628 CB ASN A 42 0.867 6.424 12.260 1.00 0.24 C ATOM 629 CG ASN A 42 -0.344 6.084 13.131 1.00 0.29 C ATOM 630 OD1 ASN A 42 -1.287 5.471 12.670 1.00 0.91 O ATOM 631 ND2 ASN A 42 -0.360 6.459 14.379 1.00 1.14 N ATOM 0 H ASN A 42 1.995 7.348 9.808 1.00 0.21 H new ATOM 0 HA ASN A 42 0.227 5.089 10.676 1.00 0.21 H new ATOM 0 HB2 ASN A 42 1.732 5.840 12.576 1.00 0.24 H new ATOM 0 HB3 ASN A 42 1.131 7.475 12.379 1.00 0.24 H new ATOM 0 HD21 ASN A 42 -1.163 6.238 14.968 1.00 1.14 H new ATOM 0 HD22 ASN A 42 0.431 6.973 14.767 1.00 1.14 H new ATOM 638 N PRO A 43 -1.206 6.743 9.219 1.00 0.17 N ATOM 639 CA PRO A 43 -2.325 7.551 8.700 1.00 0.16 C ATOM 640 C PRO A 43 -3.563 7.296 9.570 1.00 0.16 C ATOM 641 O PRO A 43 -3.730 6.223 10.114 1.00 0.15 O ATOM 642 CB PRO A 43 -2.542 7.038 7.258 1.00 0.13 C ATOM 643 CG PRO A 43 -1.654 5.771 7.078 1.00 0.13 C ATOM 644 CD PRO A 43 -0.828 5.591 8.373 1.00 0.17 C ATOM 0 HA PRO A 43 -2.132 8.624 8.714 1.00 0.16 H new ATOM 0 HB2 PRO A 43 -3.592 6.798 7.089 1.00 0.13 H new ATOM 0 HB3 PRO A 43 -2.269 7.804 6.532 1.00 0.13 H new ATOM 0 HG2 PRO A 43 -2.273 4.893 6.893 1.00 0.13 H new ATOM 0 HG3 PRO A 43 -0.996 5.884 6.217 1.00 0.13 H new ATOM 0 HD2 PRO A 43 -1.061 4.646 8.863 1.00 0.17 H new ATOM 0 HD3 PRO A 43 0.242 5.587 8.164 1.00 0.17 H new ATOM 652 N THR A 44 -4.438 8.255 9.707 1.00 0.16 N ATOM 653 CA THR A 44 -5.645 8.010 10.542 1.00 0.17 C ATOM 654 C THR A 44 -6.556 7.026 9.814 1.00 0.14 C ATOM 655 O THR A 44 -6.320 6.670 8.675 1.00 0.12 O ATOM 656 CB THR A 44 -6.400 9.316 10.789 1.00 0.19 C ATOM 657 OG1 THR A 44 -6.672 9.950 9.549 1.00 0.14 O ATOM 658 CG2 THR A 44 -5.556 10.243 11.666 1.00 0.24 C ATOM 0 H THR A 44 -4.371 9.181 9.285 1.00 0.16 H new ATOM 0 HA THR A 44 -5.338 7.599 11.504 1.00 0.17 H new ATOM 0 HB THR A 44 -7.339 9.098 11.297 1.00 0.19 H new ATOM 0 HG1 THR A 44 -7.158 10.786 9.709 1.00 0.14 H new ATOM 0 HG21 THR A 44 -6.098 11.173 11.840 1.00 0.24 H new ATOM 0 HG22 THR A 44 -5.354 9.757 12.621 1.00 0.24 H new ATOM 0 HG23 THR A 44 -4.614 10.461 11.164 1.00 0.24 H new ATOM 666 N GLU A 45 -7.592 6.578 10.459 1.00 0.16 N ATOM 667 CA GLU A 45 -8.512 5.610 9.804 1.00 0.14 C ATOM 668 C GLU A 45 -9.193 6.273 8.610 1.00 0.12 C ATOM 669 O GLU A 45 -9.322 5.684 7.556 1.00 0.08 O ATOM 670 CB GLU A 45 -9.568 5.159 10.814 1.00 0.18 C ATOM 671 CG GLU A 45 -8.952 4.154 11.788 1.00 0.23 C ATOM 672 CD GLU A 45 -9.989 3.764 12.843 1.00 0.96 C ATOM 673 OE1 GLU A 45 -10.379 4.628 13.609 1.00 1.93 O ATOM 674 OE2 GLU A 45 -10.374 2.606 12.870 1.00 1.53 O ATOM 0 H GLU A 45 -7.843 6.840 11.412 1.00 0.16 H new ATOM 0 HA GLU A 45 -7.946 4.746 9.456 1.00 0.14 H new ATOM 0 HB2 GLU A 45 -9.954 6.020 11.360 1.00 0.18 H new ATOM 0 HB3 GLU A 45 -10.412 4.706 10.294 1.00 0.18 H new ATOM 0 HG2 GLU A 45 -8.615 3.268 11.249 1.00 0.23 H new ATOM 0 HG3 GLU A 45 -8.075 4.588 12.268 1.00 0.23 H new ATOM 681 N ALA A 46 -9.636 7.490 8.757 1.00 0.18 N ATOM 682 CA ALA A 46 -10.310 8.166 7.617 1.00 0.16 C ATOM 683 C ALA A 46 -9.321 8.315 6.458 1.00 0.14 C ATOM 684 O ALA A 46 -9.673 8.142 5.309 1.00 0.11 O ATOM 685 CB ALA A 46 -10.816 9.543 8.059 1.00 0.18 C ATOM 0 H ALA A 46 -9.561 8.042 9.612 1.00 0.18 H new ATOM 0 HA ALA A 46 -11.160 7.568 7.288 1.00 0.16 H new ATOM 0 HB1 ALA A 46 -11.309 10.036 7.221 1.00 0.18 H new ATOM 0 HB2 ALA A 46 -11.525 9.424 8.879 1.00 0.18 H new ATOM 0 HB3 ALA A 46 -9.974 10.150 8.392 1.00 0.18 H new ATOM 691 N GLU A 47 -8.082 8.618 6.743 1.00 0.14 N ATOM 692 CA GLU A 47 -7.093 8.752 5.640 1.00 0.12 C ATOM 693 C GLU A 47 -7.023 7.419 4.901 1.00 0.09 C ATOM 694 O GLU A 47 -6.932 7.370 3.691 1.00 0.10 O ATOM 695 CB GLU A 47 -5.713 9.092 6.211 1.00 0.14 C ATOM 696 CG GLU A 47 -5.665 10.568 6.604 1.00 0.19 C ATOM 697 CD GLU A 47 -4.266 10.913 7.112 1.00 0.11 C ATOM 698 OE1 GLU A 47 -3.610 10.024 7.630 1.00 0.92 O ATOM 699 OE2 GLU A 47 -3.875 12.061 6.979 1.00 0.92 O ATOM 0 H GLU A 47 -7.717 8.777 7.682 1.00 0.14 H new ATOM 0 HA GLU A 47 -7.396 9.550 4.962 1.00 0.12 H new ATOM 0 HB2 GLU A 47 -5.505 8.468 7.080 1.00 0.14 H new ATOM 0 HB3 GLU A 47 -4.941 8.878 5.472 1.00 0.14 H new ATOM 0 HG2 GLU A 47 -5.917 11.192 5.747 1.00 0.19 H new ATOM 0 HG3 GLU A 47 -6.406 10.774 7.377 1.00 0.19 H new ATOM 706 N LEU A 48 -7.070 6.335 5.625 1.00 0.07 N ATOM 707 CA LEU A 48 -7.012 4.999 4.973 1.00 0.07 C ATOM 708 C LEU A 48 -8.335 4.726 4.245 1.00 0.08 C ATOM 709 O LEU A 48 -8.351 4.275 3.120 1.00 0.08 O ATOM 710 CB LEU A 48 -6.783 3.914 6.039 1.00 0.09 C ATOM 711 CG LEU A 48 -5.291 3.846 6.429 1.00 0.14 C ATOM 712 CD1 LEU A 48 -5.149 3.195 7.810 1.00 0.08 C ATOM 713 CD2 LEU A 48 -4.507 3.004 5.411 1.00 0.25 C ATOM 0 H LEU A 48 -7.146 6.318 6.642 1.00 0.07 H new ATOM 0 HA LEU A 48 -6.191 4.983 4.256 1.00 0.07 H new ATOM 0 HB2 LEU A 48 -7.386 4.129 6.921 1.00 0.09 H new ATOM 0 HB3 LEU A 48 -7.110 2.947 5.658 1.00 0.09 H new ATOM 0 HG LEU A 48 -4.894 4.861 6.445 1.00 0.14 H new ATOM 0 HD11 LEU A 48 -4.095 3.148 8.083 1.00 0.08 H new ATOM 0 HD12 LEU A 48 -5.689 3.787 8.549 1.00 0.08 H new ATOM 0 HD13 LEU A 48 -5.562 2.187 7.781 1.00 0.08 H new ATOM 0 HD21 LEU A 48 -3.457 2.967 5.701 1.00 0.25 H new ATOM 0 HD22 LEU A 48 -4.913 1.993 5.386 1.00 0.25 H new ATOM 0 HD23 LEU A 48 -4.594 3.454 4.422 1.00 0.25 H new ATOM 725 N GLN A 49 -9.445 4.985 4.882 1.00 0.07 N ATOM 726 CA GLN A 49 -10.757 4.718 4.227 1.00 0.07 C ATOM 727 C GLN A 49 -10.936 5.627 3.010 1.00 0.07 C ATOM 728 O GLN A 49 -11.696 5.328 2.110 1.00 0.07 O ATOM 729 CB GLN A 49 -11.892 4.988 5.221 1.00 0.08 C ATOM 730 CG GLN A 49 -11.957 3.873 6.272 1.00 0.06 C ATOM 731 CD GLN A 49 -13.259 3.998 7.063 1.00 1.12 C ATOM 732 OE1 GLN A 49 -14.017 4.931 6.867 1.00 2.25 O ATOM 733 NE2 GLN A 49 -13.554 3.096 7.958 1.00 1.33 N ATOM 0 H GLN A 49 -9.500 5.369 5.825 1.00 0.07 H new ATOM 0 HA GLN A 49 -10.782 3.677 3.906 1.00 0.07 H new ATOM 0 HB2 GLN A 49 -11.735 5.949 5.710 1.00 0.08 H new ATOM 0 HB3 GLN A 49 -12.842 5.052 4.690 1.00 0.08 H new ATOM 0 HG2 GLN A 49 -11.905 2.898 5.788 1.00 0.06 H new ATOM 0 HG3 GLN A 49 -11.102 3.941 6.944 1.00 0.06 H new ATOM 0 HE21 GLN A 49 -12.920 2.314 8.123 1.00 1.33 H new ATOM 0 HE22 GLN A 49 -14.419 3.172 8.493 1.00 1.33 H new ATOM 742 N ASP A 50 -10.253 6.733 2.974 1.00 0.06 N ATOM 743 CA ASP A 50 -10.402 7.653 1.811 1.00 0.06 C ATOM 744 C ASP A 50 -9.735 7.032 0.589 1.00 0.10 C ATOM 745 O ASP A 50 -10.306 6.977 -0.483 1.00 0.13 O ATOM 746 CB ASP A 50 -9.742 8.998 2.128 1.00 0.02 C ATOM 747 CG ASP A 50 -10.002 9.975 0.978 1.00 1.18 C ATOM 748 OD1 ASP A 50 -11.045 9.862 0.356 1.00 1.85 O ATOM 749 OD2 ASP A 50 -9.154 10.819 0.743 1.00 1.90 O ATOM 0 H ASP A 50 -9.600 7.041 3.695 1.00 0.06 H new ATOM 0 HA ASP A 50 -11.461 7.813 1.608 1.00 0.06 H new ATOM 0 HB2 ASP A 50 -10.140 9.401 3.059 1.00 0.02 H new ATOM 0 HB3 ASP A 50 -8.670 8.865 2.271 1.00 0.02 H new ATOM 890 N GLY A 61 -11.947 -4.947 -3.003 1.00 0.35 N ATOM 891 CA GLY A 61 -11.292 -4.757 -1.666 1.00 0.33 C ATOM 892 C GLY A 61 -9.898 -5.412 -1.654 1.00 0.29 C ATOM 893 O GLY A 61 -9.523 -6.052 -0.691 1.00 0.29 O ATOM 0 HA2 GLY A 61 -11.203 -3.693 -1.445 1.00 0.33 H new ATOM 0 HA3 GLY A 61 -11.913 -5.194 -0.884 1.00 0.33 H new ATOM 897 N THR A 62 -9.122 -5.262 -2.709 1.00 0.31 N ATOM 898 CA THR A 62 -7.761 -5.876 -2.745 1.00 0.31 C ATOM 899 C THR A 62 -6.781 -4.893 -3.395 1.00 0.29 C ATOM 900 O THR A 62 -7.182 -3.970 -4.079 1.00 0.34 O ATOM 901 CB THR A 62 -7.816 -7.157 -3.577 1.00 0.39 C ATOM 902 OG1 THR A 62 -7.963 -6.820 -4.949 1.00 0.66 O ATOM 903 CG2 THR A 62 -9.001 -8.014 -3.128 1.00 0.84 C ATOM 0 H THR A 62 -9.379 -4.738 -3.546 1.00 0.31 H new ATOM 0 HA THR A 62 -7.431 -6.106 -1.732 1.00 0.31 H new ATOM 0 HB THR A 62 -6.894 -7.721 -3.437 1.00 0.39 H new ATOM 0 HG1 THR A 62 -7.997 -7.640 -5.485 1.00 0.66 H new ATOM 0 HG21 THR A 62 -9.037 -8.926 -3.724 1.00 0.84 H new ATOM 0 HG22 THR A 62 -8.885 -8.272 -2.075 1.00 0.84 H new ATOM 0 HG23 THR A 62 -9.927 -7.455 -3.265 1.00 0.84 H new ATOM 911 N ILE A 63 -5.498 -5.073 -3.188 1.00 0.23 N ATOM 912 CA ILE A 63 -4.491 -4.142 -3.792 1.00 0.23 C ATOM 913 C ILE A 63 -3.286 -4.954 -4.276 1.00 0.21 C ATOM 914 O ILE A 63 -2.789 -5.814 -3.577 1.00 0.17 O ATOM 915 CB ILE A 63 -4.041 -3.137 -2.722 1.00 0.19 C ATOM 916 CG1 ILE A 63 -5.251 -2.790 -1.843 1.00 0.19 C ATOM 917 CG2 ILE A 63 -3.473 -1.864 -3.375 1.00 0.19 C ATOM 918 CD1 ILE A 63 -4.931 -1.608 -0.927 1.00 0.21 C ATOM 0 H ILE A 63 -5.104 -5.827 -2.625 1.00 0.23 H new ATOM 0 HA ILE A 63 -4.930 -3.608 -4.635 1.00 0.23 H new ATOM 0 HB ILE A 63 -3.252 -3.579 -2.114 1.00 0.19 H new ATOM 0 HG12 ILE A 63 -6.107 -2.547 -2.473 1.00 0.19 H new ATOM 0 HG13 ILE A 63 -5.532 -3.656 -1.243 1.00 0.19 H new ATOM 0 HG21 ILE A 63 -3.160 -1.165 -2.599 1.00 0.19 H new ATOM 0 HG22 ILE A 63 -2.616 -2.125 -3.995 1.00 0.19 H new ATOM 0 HG23 ILE A 63 -4.240 -1.399 -3.994 1.00 0.19 H new ATOM 0 HD11 ILE A 63 -5.801 -1.378 -0.312 1.00 0.21 H new ATOM 0 HD12 ILE A 63 -4.090 -1.864 -0.283 1.00 0.21 H new ATOM 0 HD13 ILE A 63 -4.674 -0.738 -1.532 1.00 0.21 H new ATOM 930 N ASP A 64 -2.811 -4.673 -5.459 1.00 0.26 N ATOM 931 CA ASP A 64 -1.624 -5.406 -6.001 1.00 0.26 C ATOM 932 C ASP A 64 -0.387 -4.497 -5.873 1.00 0.26 C ATOM 933 O ASP A 64 -0.508 -3.316 -5.621 1.00 0.27 O ATOM 934 CB ASP A 64 -1.889 -5.780 -7.468 1.00 0.31 C ATOM 935 CG ASP A 64 -1.982 -4.513 -8.319 1.00 0.38 C ATOM 936 OD1 ASP A 64 -1.866 -3.436 -7.758 1.00 0.22 O ATOM 937 OD2 ASP A 64 -2.167 -4.641 -9.518 1.00 0.60 O ATOM 0 H ASP A 64 -3.196 -3.962 -6.081 1.00 0.26 H new ATOM 0 HA ASP A 64 -1.446 -6.324 -5.442 1.00 0.26 H new ATOM 0 HB2 ASP A 64 -1.089 -6.420 -7.839 1.00 0.31 H new ATOM 0 HB3 ASP A 64 -2.815 -6.350 -7.546 1.00 0.31 H new ATOM 942 N PHE A 65 0.801 -5.038 -6.004 1.00 0.28 N ATOM 943 CA PHE A 65 2.031 -4.193 -5.841 1.00 0.27 C ATOM 944 C PHE A 65 2.089 -3.010 -6.842 1.00 0.29 C ATOM 945 O PHE A 65 2.390 -1.913 -6.416 1.00 0.27 O ATOM 946 CB PHE A 65 3.303 -5.060 -5.926 1.00 0.29 C ATOM 947 CG PHE A 65 4.513 -4.245 -5.506 1.00 0.27 C ATOM 948 CD1 PHE A 65 4.620 -3.766 -4.191 1.00 0.61 C ATOM 949 CD2 PHE A 65 5.532 -3.976 -6.431 1.00 0.67 C ATOM 950 CE1 PHE A 65 5.741 -3.019 -3.807 1.00 0.59 C ATOM 951 CE2 PHE A 65 6.651 -3.229 -6.045 1.00 0.67 C ATOM 952 CZ PHE A 65 6.756 -2.751 -4.735 1.00 0.23 C ATOM 0 H PHE A 65 0.974 -6.021 -6.215 1.00 0.28 H new ATOM 0 HA PHE A 65 1.978 -3.748 -4.847 1.00 0.27 H new ATOM 0 HB2 PHE A 65 3.201 -5.934 -5.283 1.00 0.29 H new ATOM 0 HB3 PHE A 65 3.436 -5.427 -6.944 1.00 0.29 H new ATOM 0 HD1 PHE A 65 3.838 -3.973 -3.475 1.00 0.61 H new ATOM 0 HD2 PHE A 65 5.453 -4.346 -7.443 1.00 0.67 H new ATOM 0 HE1 PHE A 65 5.823 -2.650 -2.795 1.00 0.59 H new ATOM 0 HE2 PHE A 65 7.434 -3.022 -6.759 1.00 0.67 H new ATOM 0 HZ PHE A 65 7.620 -2.175 -4.438 1.00 0.23 H new ATOM 962 N PRO A 66 1.805 -3.201 -8.123 1.00 0.35 N ATOM 963 CA PRO A 66 1.853 -2.062 -9.059 1.00 0.37 C ATOM 964 C PRO A 66 1.009 -0.905 -8.501 1.00 0.37 C ATOM 965 O PRO A 66 1.475 0.210 -8.379 1.00 0.38 O ATOM 966 CB PRO A 66 1.283 -2.602 -10.389 1.00 0.40 C ATOM 967 CG PRO A 66 1.055 -4.130 -10.207 1.00 0.41 C ATOM 968 CD PRO A 66 1.425 -4.491 -8.749 1.00 0.39 C ATOM 0 HA PRO A 66 2.860 -1.671 -9.204 1.00 0.37 H new ATOM 0 HB2 PRO A 66 0.348 -2.101 -10.638 1.00 0.40 H new ATOM 0 HB3 PRO A 66 1.975 -2.412 -11.209 1.00 0.40 H new ATOM 0 HG2 PRO A 66 0.016 -4.389 -10.413 1.00 0.41 H new ATOM 0 HG3 PRO A 66 1.669 -4.694 -10.908 1.00 0.41 H new ATOM 0 HD2 PRO A 66 0.584 -4.950 -8.230 1.00 0.39 H new ATOM 0 HD3 PRO A 66 2.248 -5.205 -8.715 1.00 0.39 H new ATOM 976 N GLU A 67 -0.223 -1.164 -8.154 1.00 0.35 N ATOM 977 CA GLU A 67 -1.078 -0.079 -7.598 1.00 0.36 C ATOM 978 C GLU A 67 -0.487 0.403 -6.274 1.00 0.34 C ATOM 979 O GLU A 67 -0.584 1.562 -5.931 1.00 0.36 O ATOM 980 CB GLU A 67 -2.501 -0.596 -7.369 1.00 0.34 C ATOM 981 CG GLU A 67 -3.115 -1.021 -8.707 1.00 0.40 C ATOM 982 CD GLU A 67 -4.360 -1.874 -8.451 1.00 0.43 C ATOM 983 OE1 GLU A 67 -4.222 -2.921 -7.842 1.00 0.63 O ATOM 984 OE2 GLU A 67 -5.430 -1.464 -8.870 1.00 0.30 O ATOM 0 H GLU A 67 -0.672 -2.077 -8.231 1.00 0.35 H new ATOM 0 HA GLU A 67 -1.113 0.749 -8.306 1.00 0.36 H new ATOM 0 HB2 GLU A 67 -2.485 -1.440 -6.680 1.00 0.34 H new ATOM 0 HB3 GLU A 67 -3.111 0.181 -6.908 1.00 0.34 H new ATOM 0 HG2 GLU A 67 -3.379 -0.141 -9.294 1.00 0.40 H new ATOM 0 HG3 GLU A 67 -2.388 -1.586 -9.290 1.00 0.40 H new ATOM 991 N PHE A 68 0.138 -0.472 -5.529 1.00 0.29 N ATOM 992 CA PHE A 68 0.740 -0.033 -4.240 1.00 0.27 C ATOM 993 C PHE A 68 1.814 1.007 -4.552 1.00 0.29 C ATOM 994 O PHE A 68 1.999 1.963 -3.823 1.00 0.29 O ATOM 995 CB PHE A 68 1.361 -1.224 -3.493 1.00 0.25 C ATOM 996 CG PHE A 68 1.726 -0.798 -2.089 1.00 0.18 C ATOM 997 CD1 PHE A 68 0.756 -0.812 -1.080 1.00 0.17 C ATOM 998 CD2 PHE A 68 3.036 -0.391 -1.795 1.00 0.16 C ATOM 999 CE1 PHE A 68 1.092 -0.417 0.221 1.00 0.11 C ATOM 1000 CE2 PHE A 68 3.368 0.004 -0.492 1.00 0.11 C ATOM 1001 CZ PHE A 68 2.396 -0.009 0.514 1.00 0.06 C ATOM 0 H PHE A 68 0.256 -1.460 -5.756 1.00 0.29 H new ATOM 0 HA PHE A 68 -0.031 0.394 -3.599 1.00 0.27 H new ATOM 0 HB2 PHE A 68 0.657 -2.055 -3.462 1.00 0.25 H new ATOM 0 HB3 PHE A 68 2.247 -1.577 -4.020 1.00 0.25 H new ATOM 0 HD1 PHE A 68 -0.252 -1.128 -1.305 1.00 0.17 H new ATOM 0 HD2 PHE A 68 3.787 -0.382 -2.571 1.00 0.16 H new ATOM 0 HE1 PHE A 68 0.343 -0.428 0.999 1.00 0.11 H new ATOM 0 HE2 PHE A 68 4.376 0.319 -0.264 1.00 0.11 H new ATOM 0 HZ PHE A 68 2.653 0.296 1.517 1.00 0.06 H new ATOM 1011 N LEU A 69 2.512 0.838 -5.643 1.00 0.29 N ATOM 1012 CA LEU A 69 3.559 1.832 -6.012 1.00 0.31 C ATOM 1013 C LEU A 69 2.882 3.150 -6.401 1.00 0.32 C ATOM 1014 O LEU A 69 3.467 4.211 -6.302 1.00 0.34 O ATOM 1015 CB LEU A 69 4.368 1.321 -7.212 1.00 0.31 C ATOM 1016 CG LEU A 69 5.204 0.092 -6.830 1.00 0.30 C ATOM 1017 CD1 LEU A 69 5.963 -0.393 -8.070 1.00 0.31 C ATOM 1018 CD2 LEU A 69 6.208 0.450 -5.718 1.00 0.31 C ATOM 0 H LEU A 69 2.403 0.058 -6.291 1.00 0.29 H new ATOM 0 HA LEU A 69 4.225 1.983 -5.162 1.00 0.31 H new ATOM 0 HB2 LEU A 69 3.692 1.066 -8.028 1.00 0.31 H new ATOM 0 HB3 LEU A 69 5.024 2.112 -7.576 1.00 0.31 H new ATOM 0 HG LEU A 69 4.544 -0.693 -6.462 1.00 0.30 H new ATOM 0 HD11 LEU A 69 6.561 -1.267 -7.812 1.00 0.31 H new ATOM 0 HD12 LEU A 69 5.251 -0.659 -8.851 1.00 0.31 H new ATOM 0 HD13 LEU A 69 6.617 0.401 -8.430 1.00 0.31 H new ATOM 0 HD21 LEU A 69 6.793 -0.432 -5.458 1.00 0.31 H new ATOM 0 HD22 LEU A 69 6.875 1.237 -6.070 1.00 0.31 H new ATOM 0 HD23 LEU A 69 5.667 0.799 -4.838 1.00 0.31 H new ATOM 1030 N THR A 70 1.655 3.092 -6.846 1.00 0.32 N ATOM 1031 CA THR A 70 0.950 4.343 -7.243 1.00 0.33 C ATOM 1032 C THR A 70 0.542 5.115 -5.990 1.00 0.33 C ATOM 1033 O THR A 70 0.415 6.324 -6.008 1.00 0.31 O ATOM 1034 CB THR A 70 -0.293 3.989 -8.069 1.00 0.33 C ATOM 1035 OG1 THR A 70 0.110 3.372 -9.283 1.00 0.35 O ATOM 1036 CG2 THR A 70 -1.078 5.265 -8.380 1.00 0.37 C ATOM 0 H THR A 70 1.113 2.235 -6.951 1.00 0.32 H new ATOM 0 HA THR A 70 1.614 4.963 -7.845 1.00 0.33 H new ATOM 0 HB THR A 70 -0.925 3.304 -7.504 1.00 0.33 H new ATOM 0 HG1 THR A 70 -0.682 3.143 -9.812 1.00 0.35 H new ATOM 0 HG21 THR A 70 -1.962 5.015 -8.967 1.00 0.37 H new ATOM 0 HG22 THR A 70 -1.384 5.740 -7.448 1.00 0.37 H new ATOM 0 HG23 THR A 70 -0.448 5.951 -8.947 1.00 0.37 H new ATOM 1044 N MET A 71 0.351 4.432 -4.896 1.00 0.37 N ATOM 1045 CA MET A 71 -0.033 5.146 -3.639 1.00 0.37 C ATOM 1046 C MET A 71 1.211 5.841 -3.071 1.00 0.39 C ATOM 1047 O MET A 71 1.162 6.983 -2.660 1.00 0.42 O ATOM 1048 CB MET A 71 -0.589 4.161 -2.589 1.00 0.43 C ATOM 1049 CG MET A 71 -1.997 3.649 -2.990 1.00 0.70 C ATOM 1050 SD MET A 71 -3.056 3.570 -1.514 1.00 0.68 S ATOM 1051 CE MET A 71 -3.861 1.985 -1.872 1.00 0.52 C ATOM 0 H MET A 71 0.442 3.419 -4.814 1.00 0.37 H new ATOM 0 HA MET A 71 -0.810 5.874 -3.870 1.00 0.37 H new ATOM 0 HB2 MET A 71 0.091 3.316 -2.483 1.00 0.43 H new ATOM 0 HB3 MET A 71 -0.641 4.652 -1.617 1.00 0.43 H new ATOM 0 HG2 MET A 71 -2.439 4.313 -3.733 1.00 0.70 H new ATOM 0 HG3 MET A 71 -1.920 2.663 -3.449 1.00 0.70 H new ATOM 0 HE1 MET A 71 -4.564 1.745 -1.074 1.00 0.52 H new ATOM 0 HE2 MET A 71 -4.397 2.055 -2.819 1.00 0.52 H new ATOM 0 HE3 MET A 71 -3.107 1.201 -1.939 1.00 0.52 H new ATOM 1061 N MET A 72 2.324 5.157 -3.049 1.00 0.37 N ATOM 1062 CA MET A 72 3.568 5.774 -2.514 1.00 0.40 C ATOM 1063 C MET A 72 3.981 6.952 -3.397 1.00 0.36 C ATOM 1064 O MET A 72 4.477 7.952 -2.917 1.00 0.36 O ATOM 1065 CB MET A 72 4.693 4.735 -2.504 1.00 0.45 C ATOM 1066 CG MET A 72 4.267 3.510 -1.689 1.00 0.50 C ATOM 1067 SD MET A 72 3.933 4.000 0.023 1.00 0.29 S ATOM 1068 CE MET A 72 5.629 3.860 0.642 1.00 0.36 C ATOM 0 H MET A 72 2.423 4.197 -3.379 1.00 0.37 H new ATOM 0 HA MET A 72 3.384 6.126 -1.499 1.00 0.40 H new ATOM 0 HB2 MET A 72 4.934 4.437 -3.525 1.00 0.45 H new ATOM 0 HB3 MET A 72 5.597 5.170 -2.077 1.00 0.45 H new ATOM 0 HG2 MET A 72 3.377 3.060 -2.129 1.00 0.50 H new ATOM 0 HG3 MET A 72 5.052 2.754 -1.714 1.00 0.50 H new ATOM 0 HE1 MET A 72 5.696 4.320 1.628 1.00 0.36 H new ATOM 0 HE2 MET A 72 5.905 2.808 0.713 1.00 0.36 H new ATOM 0 HE3 MET A 72 6.309 4.367 -0.042 1.00 0.36 H new ATOM 1078 N ALA A 73 3.791 6.847 -4.687 1.00 0.34 N ATOM 1079 CA ALA A 73 4.190 7.968 -5.577 1.00 0.32 C ATOM 1080 C ALA A 73 3.287 9.177 -5.317 1.00 0.29 C ATOM 1081 O ALA A 73 3.712 10.310 -5.419 1.00 0.29 O ATOM 1082 CB ALA A 73 4.074 7.537 -7.044 1.00 0.31 C ATOM 0 H ALA A 73 3.380 6.039 -5.156 1.00 0.34 H new ATOM 0 HA ALA A 73 5.225 8.240 -5.369 1.00 0.32 H new ATOM 0 HB1 ALA A 73 4.368 8.364 -7.690 1.00 0.31 H new ATOM 0 HB2 ALA A 73 4.728 6.684 -7.225 1.00 0.31 H new ATOM 0 HB3 ALA A 73 3.043 7.256 -7.260 1.00 0.31 H new ATOM 1222 N GLU A 82 14.270 15.318 -2.265 1.00 0.58 N ATOM 1223 CA GLU A 82 15.063 16.529 -2.594 1.00 0.54 C ATOM 1224 C GLU A 82 14.862 17.607 -1.514 1.00 0.43 C ATOM 1225 O GLU A 82 15.763 18.361 -1.202 1.00 0.40 O ATOM 1226 CB GLU A 82 14.622 17.016 -3.996 1.00 0.79 C ATOM 1227 CG GLU A 82 13.638 18.195 -3.910 1.00 1.43 C ATOM 1228 CD GLU A 82 12.986 18.416 -5.276 1.00 1.22 C ATOM 1229 OE1 GLU A 82 13.608 19.051 -6.112 1.00 1.44 O ATOM 1230 OE2 GLU A 82 11.874 17.948 -5.461 1.00 1.70 O ATOM 0 HA GLU A 82 16.130 16.305 -2.614 1.00 0.54 H new ATOM 0 HB2 GLU A 82 15.499 17.316 -4.569 1.00 0.79 H new ATOM 0 HB3 GLU A 82 14.155 16.192 -4.536 1.00 0.79 H new ATOM 0 HG2 GLU A 82 12.874 17.991 -3.159 1.00 1.43 H new ATOM 0 HG3 GLU A 82 14.162 19.097 -3.595 1.00 1.43 H new ATOM 1237 N GLU A 83 13.693 17.681 -0.952 1.00 0.44 N ATOM 1238 CA GLU A 83 13.428 18.707 0.101 1.00 0.42 C ATOM 1239 C GLU A 83 14.180 18.338 1.385 1.00 0.33 C ATOM 1240 O GLU A 83 14.440 19.175 2.225 1.00 0.37 O ATOM 1241 CB GLU A 83 11.915 18.774 0.378 1.00 0.57 C ATOM 1242 CG GLU A 83 11.233 19.694 -0.643 1.00 1.07 C ATOM 1243 CD GLU A 83 11.454 21.156 -0.250 1.00 2.07 C ATOM 1244 OE1 GLU A 83 11.142 21.498 0.881 1.00 2.02 O ATOM 1245 OE2 GLU A 83 11.932 21.908 -1.083 1.00 3.39 O ATOM 0 H GLU A 83 12.903 17.075 -1.174 1.00 0.44 H new ATOM 0 HA GLU A 83 13.775 19.681 -0.243 1.00 0.42 H new ATOM 0 HB2 GLU A 83 11.483 17.775 0.324 1.00 0.57 H new ATOM 0 HB3 GLU A 83 11.738 19.144 1.388 1.00 0.57 H new ATOM 0 HG2 GLU A 83 11.637 19.510 -1.639 1.00 1.07 H new ATOM 0 HG3 GLU A 83 10.166 19.477 -0.687 1.00 1.07 H new ATOM 1252 N GLU A 84 14.528 17.095 1.538 1.00 0.25 N ATOM 1253 CA GLU A 84 15.263 16.663 2.759 1.00 0.23 C ATOM 1254 C GLU A 84 16.755 16.904 2.560 1.00 0.17 C ATOM 1255 O GLU A 84 17.459 17.334 3.455 1.00 0.21 O ATOM 1256 CB GLU A 84 15.012 15.174 3.004 1.00 0.21 C ATOM 1257 CG GLU A 84 13.580 14.968 3.500 1.00 0.26 C ATOM 1258 CD GLU A 84 13.473 15.419 4.960 1.00 1.37 C ATOM 1259 OE1 GLU A 84 13.200 16.588 5.179 1.00 2.66 O ATOM 1260 OE2 GLU A 84 13.665 14.588 5.832 1.00 1.42 O ATOM 0 H GLU A 84 14.334 16.353 0.866 1.00 0.25 H new ATOM 0 HA GLU A 84 14.914 17.234 3.619 1.00 0.23 H new ATOM 0 HB2 GLU A 84 15.173 14.612 2.084 1.00 0.21 H new ATOM 0 HB3 GLU A 84 15.720 14.792 3.739 1.00 0.21 H new ATOM 0 HG2 GLU A 84 12.885 15.536 2.881 1.00 0.26 H new ATOM 0 HG3 GLU A 84 13.301 13.918 3.412 1.00 0.26 H new ATOM 1267 N ILE A 85 17.243 16.630 1.387 1.00 0.08 N ATOM 1268 CA ILE A 85 18.693 16.838 1.115 1.00 0.05 C ATOM 1269 C ILE A 85 18.978 18.342 1.003 1.00 0.06 C ATOM 1270 O ILE A 85 19.976 18.827 1.503 1.00 0.06 O ATOM 1271 CB ILE A 85 19.086 16.127 -0.199 1.00 0.10 C ATOM 1272 CG1 ILE A 85 19.229 14.616 0.056 1.00 0.16 C ATOM 1273 CG2 ILE A 85 20.424 16.691 -0.713 1.00 0.16 C ATOM 1274 CD1 ILE A 85 19.487 13.894 -1.271 1.00 0.21 C ATOM 0 H ILE A 85 16.701 16.270 0.601 1.00 0.08 H new ATOM 0 HA ILE A 85 19.281 16.419 1.932 1.00 0.05 H new ATOM 0 HB ILE A 85 18.311 16.297 -0.947 1.00 0.10 H new ATOM 0 HG12 ILE A 85 20.050 14.430 0.749 1.00 0.16 H new ATOM 0 HG13 ILE A 85 18.324 14.228 0.523 1.00 0.16 H new ATOM 0 HG21 ILE A 85 20.699 16.188 -1.640 1.00 0.16 H new ATOM 0 HG22 ILE A 85 20.321 17.760 -0.897 1.00 0.16 H new ATOM 0 HG23 ILE A 85 21.200 16.525 0.034 1.00 0.16 H new ATOM 0 HD11 ILE A 85 19.588 12.824 -1.089 1.00 0.21 H new ATOM 0 HD12 ILE A 85 18.652 14.070 -1.949 1.00 0.21 H new ATOM 0 HD13 ILE A 85 20.405 14.274 -1.720 1.00 0.21 H new ATOM 1286 N ARG A 86 18.128 19.083 0.347 1.00 0.13 N ATOM 1287 CA ARG A 86 18.384 20.543 0.209 1.00 0.20 C ATOM 1288 C ARG A 86 18.350 21.201 1.586 1.00 0.25 C ATOM 1289 O ARG A 86 19.210 21.992 1.923 1.00 0.26 O ATOM 1290 CB ARG A 86 17.317 21.177 -0.689 1.00 0.27 C ATOM 1291 CG ARG A 86 17.780 22.574 -1.118 1.00 0.88 C ATOM 1292 CD ARG A 86 16.726 23.209 -2.028 1.00 0.95 C ATOM 1293 NE ARG A 86 17.309 24.409 -2.691 1.00 2.42 N ATOM 1294 CZ ARG A 86 16.708 24.948 -3.717 1.00 2.54 C ATOM 1295 NH1 ARG A 86 15.593 24.438 -4.163 1.00 1.60 N ATOM 1296 NH2 ARG A 86 17.225 25.995 -4.296 1.00 3.90 N ATOM 0 H ARG A 86 17.274 18.744 -0.096 1.00 0.13 H new ATOM 0 HA ARG A 86 19.365 20.693 -0.241 1.00 0.20 H new ATOM 0 HB2 ARG A 86 17.146 20.553 -1.566 1.00 0.27 H new ATOM 0 HB3 ARG A 86 16.369 21.244 -0.155 1.00 0.27 H new ATOM 0 HG2 ARG A 86 17.941 23.200 -0.240 1.00 0.88 H new ATOM 0 HG3 ARG A 86 18.734 22.507 -1.641 1.00 0.88 H new ATOM 0 HD2 ARG A 86 16.395 22.490 -2.777 1.00 0.95 H new ATOM 0 HD3 ARG A 86 15.848 23.491 -1.446 1.00 0.95 H new ATOM 0 HE ARG A 86 18.180 24.810 -2.343 1.00 2.42 H new ATOM 0 HH11 ARG A 86 15.190 23.618 -3.710 1.00 1.60 H new ATOM 0 HH12 ARG A 86 15.124 24.860 -4.965 1.00 1.60 H new ATOM 0 HH21 ARG A 86 18.098 26.392 -3.947 1.00 3.90 H new ATOM 0 HH22 ARG A 86 16.757 26.418 -5.098 1.00 3.90 H new ATOM 1310 N GLU A 87 17.370 20.890 2.393 1.00 0.30 N ATOM 1311 CA GLU A 87 17.312 21.514 3.742 1.00 0.38 C ATOM 1312 C GLU A 87 18.542 21.087 4.541 1.00 0.33 C ATOM 1313 O GLU A 87 18.956 21.768 5.458 1.00 0.35 O ATOM 1314 CB GLU A 87 16.022 21.098 4.465 1.00 0.47 C ATOM 1315 CG GLU A 87 14.831 21.818 3.834 1.00 0.73 C ATOM 1316 CD GLU A 87 13.563 21.500 4.629 1.00 0.85 C ATOM 1317 OE1 GLU A 87 13.683 21.234 5.813 1.00 0.58 O ATOM 1318 OE2 GLU A 87 12.495 21.527 4.039 1.00 1.86 O ATOM 0 H GLU A 87 16.616 20.238 2.177 1.00 0.30 H new ATOM 0 HA GLU A 87 17.307 22.600 3.645 1.00 0.38 H new ATOM 0 HB2 GLU A 87 15.886 20.019 4.397 1.00 0.47 H new ATOM 0 HB3 GLU A 87 16.090 21.345 5.525 1.00 0.47 H new ATOM 0 HG2 GLU A 87 15.006 22.894 3.824 1.00 0.73 H new ATOM 0 HG3 GLU A 87 14.711 21.505 2.797 1.00 0.73 H new ATOM 1325 N ALA A 88 19.163 19.993 4.181 1.00 0.27 N ATOM 1326 CA ALA A 88 20.391 19.586 4.911 1.00 0.24 C ATOM 1327 C ALA A 88 21.531 20.419 4.359 1.00 0.16 C ATOM 1328 O ALA A 88 22.339 20.953 5.078 1.00 0.13 O ATOM 1329 CB ALA A 88 20.690 18.109 4.678 1.00 0.25 C ATOM 0 H ALA A 88 18.875 19.374 3.423 1.00 0.27 H new ATOM 0 HA ALA A 88 20.262 19.740 5.982 1.00 0.24 H new ATOM 0 HB1 ALA A 88 21.593 17.831 5.221 1.00 0.25 H new ATOM 0 HB2 ALA A 88 19.853 17.508 5.033 1.00 0.25 H new ATOM 0 HB3 ALA A 88 20.838 17.931 3.613 1.00 0.25 H new ATOM 1335 N PHE A 89 21.590 20.563 3.073 1.00 0.13 N ATOM 1336 CA PHE A 89 22.669 21.391 2.498 1.00 0.08 C ATOM 1337 C PHE A 89 22.510 22.809 3.059 1.00 0.14 C ATOM 1338 O PHE A 89 23.469 23.545 3.184 1.00 0.16 O ATOM 1339 CB PHE A 89 22.579 21.391 0.963 1.00 0.11 C ATOM 1340 CG PHE A 89 23.362 20.219 0.383 1.00 0.08 C ATOM 1341 CD1 PHE A 89 24.762 20.208 0.453 1.00 0.09 C ATOM 1342 CD2 PHE A 89 22.689 19.133 -0.218 1.00 0.07 C ATOM 1343 CE1 PHE A 89 25.473 19.137 -0.074 1.00 0.10 C ATOM 1344 CE2 PHE A 89 23.428 18.052 -0.746 1.00 0.10 C ATOM 1345 CZ PHE A 89 24.827 18.071 -0.667 1.00 0.11 C ATOM 0 H PHE A 89 20.944 20.147 2.402 1.00 0.13 H new ATOM 0 HA PHE A 89 23.648 20.992 2.764 1.00 0.08 H new ATOM 0 HB2 PHE A 89 21.536 21.328 0.654 1.00 0.11 H new ATOM 0 HB3 PHE A 89 22.972 22.329 0.570 1.00 0.11 H new ATOM 0 HD1 PHE A 89 25.287 21.031 0.916 1.00 0.09 H new ATOM 0 HD2 PHE A 89 21.610 19.129 -0.274 1.00 0.07 H new ATOM 0 HE1 PHE A 89 26.552 19.139 -0.019 1.00 0.10 H new ATOM 0 HE2 PHE A 89 22.920 17.218 -1.207 1.00 0.10 H new ATOM 0 HZ PHE A 89 25.401 17.250 -1.071 1.00 0.11 H new ATOM 1355 N ARG A 90 21.308 23.187 3.438 1.00 0.21 N ATOM 1356 CA ARG A 90 21.117 24.541 4.028 1.00 0.28 C ATOM 1357 C ARG A 90 21.800 24.549 5.395 1.00 0.19 C ATOM 1358 O ARG A 90 22.537 25.453 5.736 1.00 0.17 O ATOM 1359 CB ARG A 90 19.621 24.831 4.198 1.00 0.39 C ATOM 1360 CG ARG A 90 19.003 25.191 2.844 1.00 1.73 C ATOM 1361 CD ARG A 90 17.562 25.660 3.057 1.00 1.75 C ATOM 1362 NE ARG A 90 16.900 25.855 1.736 1.00 2.88 N ATOM 1363 CZ ARG A 90 15.601 25.963 1.667 1.00 3.47 C ATOM 1364 NH1 ARG A 90 14.882 25.894 2.754 1.00 3.53 N ATOM 1365 NH2 ARG A 90 15.020 26.139 0.511 1.00 4.43 N ATOM 0 H ARG A 90 20.464 22.619 3.363 1.00 0.21 H new ATOM 0 HA ARG A 90 21.545 25.304 3.378 1.00 0.28 H new ATOM 0 HB2 ARG A 90 19.118 23.959 4.617 1.00 0.39 H new ATOM 0 HB3 ARG A 90 19.478 25.651 4.902 1.00 0.39 H new ATOM 0 HG2 ARG A 90 19.586 25.976 2.362 1.00 1.73 H new ATOM 0 HG3 ARG A 90 19.022 24.326 2.181 1.00 1.73 H new ATOM 0 HD2 ARG A 90 17.013 24.925 3.646 1.00 1.75 H new ATOM 0 HD3 ARG A 90 17.552 26.592 3.622 1.00 1.75 H new ATOM 0 HE ARG A 90 17.462 25.904 0.886 1.00 2.88 H new ATOM 0 HH11 ARG A 90 15.335 25.756 3.657 1.00 3.53 H new ATOM 0 HH12 ARG A 90 13.867 25.978 2.700 1.00 3.53 H new ATOM 0 HH21 ARG A 90 15.581 26.192 -0.339 1.00 4.43 H new ATOM 0 HH22 ARG A 90 14.005 26.223 0.458 1.00 4.43 H new ATOM 1379 N VAL A 91 21.574 23.519 6.166 1.00 0.17 N ATOM 1380 CA VAL A 91 22.225 23.417 7.509 1.00 0.14 C ATOM 1381 C VAL A 91 23.724 23.616 7.311 1.00 0.08 C ATOM 1382 O VAL A 91 24.470 23.830 8.246 1.00 0.18 O ATOM 1383 CB VAL A 91 21.972 21.996 8.081 1.00 0.25 C ATOM 1384 CG1 VAL A 91 23.117 21.544 9.004 1.00 0.29 C ATOM 1385 CG2 VAL A 91 20.655 21.972 8.872 1.00 0.35 C ATOM 0 H VAL A 91 20.963 22.739 5.924 1.00 0.17 H new ATOM 0 HA VAL A 91 21.824 24.163 8.195 1.00 0.14 H new ATOM 0 HB VAL A 91 21.915 21.310 7.236 1.00 0.25 H new ATOM 0 HG11 VAL A 91 22.904 20.545 9.385 1.00 0.29 H new ATOM 0 HG12 VAL A 91 24.051 21.527 8.443 1.00 0.29 H new ATOM 0 HG13 VAL A 91 23.207 22.239 9.839 1.00 0.29 H new ATOM 0 HG21 VAL A 91 20.487 20.971 9.269 1.00 0.35 H new ATOM 0 HG22 VAL A 91 20.712 22.684 9.695 1.00 0.35 H new ATOM 0 HG23 VAL A 91 19.830 22.244 8.214 1.00 0.35 H new ATOM 1395 N PHE A 92 24.171 23.469 6.098 1.00 0.07 N ATOM 1396 CA PHE A 92 25.624 23.553 5.807 1.00 0.14 C ATOM 1397 C PHE A 92 26.040 24.917 5.254 1.00 0.32 C ATOM 1398 O PHE A 92 27.203 25.265 5.278 1.00 0.51 O ATOM 1399 CB PHE A 92 25.935 22.407 4.835 1.00 0.09 C ATOM 1400 CG PHE A 92 26.379 21.215 5.637 1.00 0.10 C ATOM 1401 CD1 PHE A 92 25.444 20.298 6.149 1.00 0.13 C ATOM 1402 CD2 PHE A 92 27.732 21.054 5.883 1.00 0.18 C ATOM 1403 CE1 PHE A 92 25.878 19.217 6.911 1.00 0.23 C ATOM 1404 CE2 PHE A 92 28.176 19.964 6.644 1.00 0.28 C ATOM 1405 CZ PHE A 92 27.239 19.047 7.160 1.00 0.30 C ATOM 0 H PHE A 92 23.581 23.292 5.285 1.00 0.07 H new ATOM 0 HA PHE A 92 26.203 23.451 6.725 1.00 0.14 H new ATOM 0 HB2 PHE A 92 25.053 22.160 4.244 1.00 0.09 H new ATOM 0 HB3 PHE A 92 26.715 22.705 4.134 1.00 0.09 H new ATOM 0 HD1 PHE A 92 24.391 20.432 5.951 1.00 0.13 H new ATOM 0 HD2 PHE A 92 28.443 21.766 5.490 1.00 0.18 H new ATOM 0 HE1 PHE A 92 25.163 18.512 7.308 1.00 0.23 H new ATOM 0 HE2 PHE A 92 29.230 19.828 6.834 1.00 0.28 H new ATOM 0 HZ PHE A 92 27.577 18.209 7.751 1.00 0.30 H new ATOM 1415 N ASP A 93 25.112 25.695 4.803 1.00 0.32 N ATOM 1416 CA ASP A 93 25.451 27.069 4.285 1.00 0.54 C ATOM 1417 C ASP A 93 24.864 28.130 5.218 1.00 0.19 C ATOM 1418 O ASP A 93 24.160 29.027 4.802 1.00 0.47 O ATOM 1419 CB ASP A 93 24.869 27.257 2.887 1.00 0.97 C ATOM 1420 CG ASP A 93 25.441 28.539 2.283 1.00 1.43 C ATOM 1421 OD1 ASP A 93 25.004 29.603 2.681 1.00 0.99 O ATOM 1422 OD2 ASP A 93 26.318 28.432 1.443 1.00 2.61 O ATOM 0 H ASP A 93 24.122 25.452 4.764 1.00 0.32 H new ATOM 0 HA ASP A 93 26.535 27.173 4.244 1.00 0.54 H new ATOM 0 HB2 ASP A 93 25.114 26.401 2.258 1.00 0.97 H new ATOM 0 HB3 ASP A 93 23.782 27.315 2.936 1.00 0.97 H new ATOM 1489 N TYR A 99 26.201 28.462 -0.952 1.00 0.45 N ATOM 1490 CA TYR A 99 27.463 27.890 -1.522 1.00 0.33 C ATOM 1491 C TYR A 99 28.344 27.358 -0.386 1.00 0.29 C ATOM 1492 O TYR A 99 28.500 27.987 0.641 1.00 0.31 O ATOM 1493 CB TYR A 99 28.225 28.985 -2.273 1.00 0.46 C ATOM 1494 CG TYR A 99 27.528 29.281 -3.580 1.00 0.44 C ATOM 1495 CD1 TYR A 99 26.448 30.172 -3.609 1.00 1.17 C ATOM 1496 CD2 TYR A 99 27.961 28.667 -4.762 1.00 0.49 C ATOM 1497 CE1 TYR A 99 25.803 30.449 -4.820 1.00 1.16 C ATOM 1498 CE2 TYR A 99 27.316 28.945 -5.972 1.00 0.50 C ATOM 1499 CZ TYR A 99 26.237 29.837 -6.003 1.00 0.42 C ATOM 1500 OH TYR A 99 25.601 30.111 -7.196 1.00 0.41 O ATOM 0 HA TYR A 99 27.214 27.078 -2.205 1.00 0.33 H new ATOM 0 HB2 TYR A 99 28.278 29.888 -1.665 1.00 0.46 H new ATOM 0 HB3 TYR A 99 29.250 28.666 -2.460 1.00 0.46 H new ATOM 0 HD1 TYR A 99 26.113 30.645 -2.698 1.00 1.17 H new ATOM 0 HD2 TYR A 99 28.793 27.979 -4.739 1.00 0.49 H new ATOM 0 HE1 TYR A 99 24.970 31.136 -4.842 1.00 1.16 H new ATOM 0 HE2 TYR A 99 27.651 28.471 -6.883 1.00 0.50 H new ATOM 0 HH TYR A 99 26.028 29.604 -7.918 1.00 0.41 H new ATOM 1510 N ILE A 100 28.940 26.208 -0.581 1.00 0.23 N ATOM 1511 CA ILE A 100 29.844 25.626 0.468 1.00 0.21 C ATOM 1512 C ILE A 100 31.048 24.993 -0.230 1.00 0.13 C ATOM 1513 O ILE A 100 31.042 24.791 -1.427 1.00 0.08 O ATOM 1514 CB ILE A 100 29.120 24.544 1.305 1.00 0.25 C ATOM 1515 CG1 ILE A 100 28.618 23.421 0.378 1.00 0.28 C ATOM 1516 CG2 ILE A 100 27.937 25.153 2.106 1.00 0.24 C ATOM 1517 CD1 ILE A 100 27.728 22.450 1.153 1.00 0.24 C ATOM 0 H ILE A 100 28.841 25.642 -1.424 1.00 0.23 H new ATOM 0 HA ILE A 100 30.154 26.424 1.143 1.00 0.21 H new ATOM 0 HB ILE A 100 29.829 24.130 2.022 1.00 0.25 H new ATOM 0 HG12 ILE A 100 28.061 23.850 -0.455 1.00 0.28 H new ATOM 0 HG13 ILE A 100 29.466 22.886 -0.048 1.00 0.28 H new ATOM 0 HG21 ILE A 100 27.447 24.369 2.684 1.00 0.24 H new ATOM 0 HG22 ILE A 100 28.312 25.922 2.781 1.00 0.24 H new ATOM 0 HG23 ILE A 100 27.220 25.596 1.415 1.00 0.24 H new ATOM 0 HD11 ILE A 100 27.381 21.662 0.485 1.00 0.24 H new ATOM 0 HD12 ILE A 100 28.298 22.008 1.970 1.00 0.24 H new ATOM 0 HD13 ILE A 100 26.870 22.987 1.557 1.00 0.24 H new ATOM 1529 N SER A 101 32.081 24.672 0.501 1.00 0.17 N ATOM 1530 CA SER A 101 33.272 24.045 -0.142 1.00 0.15 C ATOM 1531 C SER A 101 32.976 22.566 -0.415 1.00 0.13 C ATOM 1532 O SER A 101 32.356 21.893 0.384 1.00 0.16 O ATOM 1533 CB SER A 101 34.484 24.172 0.783 1.00 0.23 C ATOM 1534 OG SER A 101 34.246 23.430 1.972 1.00 0.29 O ATOM 0 H SER A 101 32.152 24.815 1.508 1.00 0.17 H new ATOM 0 HA SER A 101 33.491 24.551 -1.082 1.00 0.15 H new ATOM 0 HB2 SER A 101 35.379 23.802 0.282 1.00 0.23 H new ATOM 0 HB3 SER A 101 34.664 25.220 1.024 1.00 0.23 H new ATOM 0 HG SER A 101 35.021 23.507 2.567 1.00 0.29 H new ATOM 1540 N ALA A 102 33.403 22.063 -1.548 1.00 0.11 N ATOM 1541 CA ALA A 102 33.146 20.631 -1.902 1.00 0.11 C ATOM 1542 C ALA A 102 33.313 19.728 -0.674 1.00 0.11 C ATOM 1543 O ALA A 102 32.668 18.706 -0.552 1.00 0.11 O ATOM 1544 CB ALA A 102 34.136 20.199 -2.990 1.00 0.17 C ATOM 0 H ALA A 102 33.924 22.589 -2.250 1.00 0.11 H new ATOM 0 HA ALA A 102 32.122 20.536 -2.264 1.00 0.11 H new ATOM 0 HB1 ALA A 102 33.955 19.157 -3.253 1.00 0.17 H new ATOM 0 HB2 ALA A 102 34.003 20.825 -3.873 1.00 0.17 H new ATOM 0 HB3 ALA A 102 35.155 20.308 -2.619 1.00 0.17 H new ATOM 1550 N ALA A 103 34.171 20.083 0.236 1.00 0.12 N ATOM 1551 CA ALA A 103 34.354 19.227 1.441 1.00 0.13 C ATOM 1552 C ALA A 103 33.049 19.210 2.228 1.00 0.12 C ATOM 1553 O ALA A 103 32.453 18.176 2.452 1.00 0.12 O ATOM 1554 CB ALA A 103 35.478 19.798 2.314 1.00 0.15 C ATOM 0 H ALA A 103 34.751 20.922 0.201 1.00 0.12 H new ATOM 0 HA ALA A 103 34.621 18.213 1.141 1.00 0.13 H new ATOM 0 HB1 ALA A 103 35.609 19.170 3.195 1.00 0.15 H new ATOM 0 HB2 ALA A 103 36.406 19.821 1.743 1.00 0.15 H new ATOM 0 HB3 ALA A 103 35.218 20.810 2.626 1.00 0.15 H new ATOM 1560 N GLU A 104 32.596 20.358 2.628 1.00 0.11 N ATOM 1561 CA GLU A 104 31.316 20.441 3.382 1.00 0.09 C ATOM 1562 C GLU A 104 30.225 19.754 2.557 1.00 0.09 C ATOM 1563 O GLU A 104 29.298 19.182 3.092 1.00 0.13 O ATOM 1564 CB GLU A 104 30.963 21.918 3.606 1.00 0.10 C ATOM 1565 CG GLU A 104 31.649 22.434 4.877 1.00 0.58 C ATOM 1566 CD GLU A 104 31.556 23.961 4.926 1.00 0.48 C ATOM 1567 OE1 GLU A 104 31.427 24.563 3.872 1.00 0.28 O ATOM 1568 OE2 GLU A 104 31.617 24.503 6.017 1.00 0.88 O ATOM 0 H GLU A 104 33.059 21.252 2.465 1.00 0.11 H new ATOM 0 HA GLU A 104 31.405 19.949 4.350 1.00 0.09 H new ATOM 0 HB2 GLU A 104 31.278 22.510 2.747 1.00 0.10 H new ATOM 0 HB3 GLU A 104 29.883 22.033 3.694 1.00 0.10 H new ATOM 0 HG2 GLU A 104 31.176 22.002 5.759 1.00 0.58 H new ATOM 0 HG3 GLU A 104 32.693 22.122 4.891 1.00 0.58 H new ATOM 1575 N LEU A 105 30.339 19.794 1.254 1.00 0.07 N ATOM 1576 CA LEU A 105 29.319 19.128 0.398 1.00 0.08 C ATOM 1577 C LEU A 105 29.461 17.621 0.574 1.00 0.09 C ATOM 1578 O LEU A 105 28.499 16.917 0.812 1.00 0.10 O ATOM 1579 CB LEU A 105 29.551 19.508 -1.072 1.00 0.10 C ATOM 1580 CG LEU A 105 28.501 18.815 -2.009 1.00 0.09 C ATOM 1581 CD1 LEU A 105 27.511 19.822 -2.645 1.00 0.09 C ATOM 1582 CD2 LEU A 105 29.215 18.085 -3.144 1.00 0.09 C ATOM 0 H LEU A 105 31.094 20.259 0.749 1.00 0.07 H new ATOM 0 HA LEU A 105 28.317 19.445 0.686 1.00 0.08 H new ATOM 0 HB2 LEU A 105 29.485 20.590 -1.185 1.00 0.10 H new ATOM 0 HB3 LEU A 105 30.558 19.217 -1.371 1.00 0.10 H new ATOM 0 HG LEU A 105 27.940 18.123 -1.381 1.00 0.09 H new ATOM 0 HD11 LEU A 105 26.808 19.287 -3.283 1.00 0.09 H new ATOM 0 HD12 LEU A 105 26.964 20.341 -1.858 1.00 0.09 H new ATOM 0 HD13 LEU A 105 28.063 20.547 -3.242 1.00 0.09 H new ATOM 0 HD21 LEU A 105 28.478 17.607 -3.789 1.00 0.09 H new ATOM 0 HD22 LEU A 105 29.798 18.799 -3.726 1.00 0.09 H new ATOM 0 HD23 LEU A 105 29.879 17.327 -2.728 1.00 0.09 H new ATOM 1594 N ARG A 106 30.657 17.124 0.480 1.00 0.10 N ATOM 1595 CA ARG A 106 30.866 15.665 0.669 1.00 0.14 C ATOM 1596 C ARG A 106 30.423 15.314 2.086 1.00 0.14 C ATOM 1597 O ARG A 106 29.931 14.236 2.351 1.00 0.19 O ATOM 1598 CB ARG A 106 32.357 15.326 0.503 1.00 0.18 C ATOM 1599 CG ARG A 106 32.708 15.143 -0.978 1.00 0.73 C ATOM 1600 CD ARG A 106 34.153 14.650 -1.092 1.00 0.55 C ATOM 1601 NE ARG A 106 35.105 15.748 -0.717 1.00 1.64 N ATOM 1602 CZ ARG A 106 35.169 16.864 -1.390 1.00 3.22 C ATOM 1603 NH1 ARG A 106 34.503 17.003 -2.502 1.00 3.89 N ATOM 1604 NH2 ARG A 106 35.940 17.832 -0.969 1.00 4.56 N ATOM 0 H ARG A 106 31.500 17.663 0.281 1.00 0.10 H new ATOM 0 HA ARG A 106 30.294 15.101 -0.068 1.00 0.14 H new ATOM 0 HB2 ARG A 106 32.966 16.122 0.931 1.00 0.18 H new ATOM 0 HB3 ARG A 106 32.592 14.415 1.053 1.00 0.18 H new ATOM 0 HG2 ARG A 106 32.029 14.427 -1.440 1.00 0.73 H new ATOM 0 HG3 ARG A 106 32.589 16.086 -1.512 1.00 0.73 H new ATOM 0 HD2 ARG A 106 34.304 13.789 -0.441 1.00 0.55 H new ATOM 0 HD3 ARG A 106 34.352 14.318 -2.111 1.00 0.55 H new ATOM 0 HE ARG A 106 35.719 15.618 0.087 1.00 1.64 H new ATOM 0 HH11 ARG A 106 33.927 16.237 -2.851 1.00 3.89 H new ATOM 0 HH12 ARG A 106 34.557 17.878 -3.023 1.00 3.89 H new ATOM 0 HH21 ARG A 106 36.489 17.713 -0.117 1.00 4.56 H new ATOM 0 HH22 ARG A 106 35.993 18.706 -1.492 1.00 4.56 H new ATOM 1618 N HIS A 107 30.602 16.229 2.998 1.00 0.10 N ATOM 1619 CA HIS A 107 30.209 15.978 4.401 1.00 0.10 C ATOM 1620 C HIS A 107 28.681 15.996 4.508 1.00 0.10 C ATOM 1621 O HIS A 107 28.092 15.174 5.175 1.00 0.10 O ATOM 1622 CB HIS A 107 30.828 17.072 5.279 1.00 0.11 C ATOM 1623 CG HIS A 107 30.984 16.573 6.687 1.00 0.17 C ATOM 1624 ND1 HIS A 107 31.813 15.511 7.010 1.00 0.19 N ATOM 1625 CD2 HIS A 107 30.428 16.987 7.863 1.00 0.35 C ATOM 1626 CE1 HIS A 107 31.729 15.324 8.341 1.00 0.24 C ATOM 1627 NE2 HIS A 107 30.897 16.197 8.910 1.00 0.34 N ATOM 0 H HIS A 107 31.009 17.148 2.823 1.00 0.10 H new ATOM 0 HA HIS A 107 30.566 15.004 4.735 1.00 0.10 H new ATOM 0 HB2 HIS A 107 31.798 17.365 4.879 1.00 0.11 H new ATOM 0 HB3 HIS A 107 30.196 17.960 5.267 1.00 0.11 H new ATOM 0 HD2 HIS A 107 29.729 17.804 7.966 1.00 0.35 H new ATOM 0 HE1 HIS A 107 32.269 14.561 8.881 1.00 0.24 H new ATOM 0 HE2 HIS A 107 30.656 16.270 9.898 1.00 0.34 H new ATOM 1635 N VAL A 108 28.026 16.913 3.841 1.00 0.11 N ATOM 1636 CA VAL A 108 26.539 16.942 3.906 1.00 0.11 C ATOM 1637 C VAL A 108 26.022 15.567 3.494 1.00 0.14 C ATOM 1638 O VAL A 108 25.046 15.071 4.020 1.00 0.17 O ATOM 1639 CB VAL A 108 25.967 17.956 2.897 1.00 0.06 C ATOM 1640 CG1 VAL A 108 24.427 17.823 2.849 1.00 0.06 C ATOM 1641 CG2 VAL A 108 26.356 19.393 3.292 1.00 0.11 C ATOM 0 H VAL A 108 28.454 17.634 3.261 1.00 0.11 H new ATOM 0 HA VAL A 108 26.238 17.216 4.917 1.00 0.11 H new ATOM 0 HB VAL A 108 26.383 17.745 1.912 1.00 0.06 H new ATOM 0 HG11 VAL A 108 24.022 18.540 2.135 1.00 0.06 H new ATOM 0 HG12 VAL A 108 24.159 16.813 2.540 1.00 0.06 H new ATOM 0 HG13 VAL A 108 24.014 18.022 3.838 1.00 0.06 H new ATOM 0 HG21 VAL A 108 25.943 20.094 2.567 1.00 0.11 H new ATOM 0 HG22 VAL A 108 25.959 19.618 4.282 1.00 0.11 H new ATOM 0 HG23 VAL A 108 27.442 19.485 3.307 1.00 0.11 H new ATOM 1651 N MET A 109 26.651 14.969 2.509 1.00 0.14 N ATOM 1652 CA MET A 109 26.169 13.657 2.016 1.00 0.19 C ATOM 1653 C MET A 109 26.498 12.536 3.020 1.00 0.23 C ATOM 1654 O MET A 109 25.777 11.563 3.120 1.00 0.29 O ATOM 1655 CB MET A 109 26.815 13.351 0.653 1.00 0.21 C ATOM 1656 CG MET A 109 26.532 14.497 -0.330 1.00 0.18 C ATOM 1657 SD MET A 109 27.747 14.450 -1.670 1.00 0.22 S ATOM 1658 CE MET A 109 26.794 13.424 -2.813 1.00 0.26 C ATOM 0 H MET A 109 27.474 15.338 2.032 1.00 0.14 H new ATOM 0 HA MET A 109 25.086 13.704 1.904 1.00 0.19 H new ATOM 0 HB2 MET A 109 27.891 13.220 0.772 1.00 0.21 H new ATOM 0 HB3 MET A 109 26.422 12.415 0.257 1.00 0.21 H new ATOM 0 HG2 MET A 109 25.524 14.404 -0.734 1.00 0.18 H new ATOM 0 HG3 MET A 109 26.581 15.455 0.187 1.00 0.18 H new ATOM 0 HE1 MET A 109 27.368 13.266 -3.726 1.00 0.26 H new ATOM 0 HE2 MET A 109 26.581 12.462 -2.347 1.00 0.26 H new ATOM 0 HE3 MET A 109 25.857 13.924 -3.056 1.00 0.26 H new ATOM 1668 N THR A 110 27.581 12.647 3.756 1.00 0.22 N ATOM 1669 CA THR A 110 27.943 11.577 4.722 1.00 0.27 C ATOM 1670 C THR A 110 27.215 11.799 6.064 1.00 0.34 C ATOM 1671 O THR A 110 26.707 10.871 6.660 1.00 0.42 O ATOM 1672 CB THR A 110 29.477 11.624 4.914 1.00 0.23 C ATOM 1673 OG1 THR A 110 30.008 12.659 4.099 1.00 0.18 O ATOM 1674 CG2 THR A 110 30.114 10.295 4.499 1.00 0.22 C ATOM 0 H THR A 110 28.226 13.437 3.724 1.00 0.22 H new ATOM 0 HA THR A 110 27.641 10.600 4.346 1.00 0.27 H new ATOM 0 HB THR A 110 29.696 11.808 5.966 1.00 0.23 H new ATOM 0 HG1 THR A 110 29.715 12.529 3.173 1.00 0.18 H new ATOM 0 HG21 THR A 110 31.193 10.349 4.642 1.00 0.22 H new ATOM 0 HG22 THR A 110 29.707 9.490 5.110 1.00 0.22 H new ATOM 0 HG23 THR A 110 29.896 10.099 3.449 1.00 0.22 H new ATOM 1682 N ASN A 111 27.178 13.012 6.549 1.00 0.34 N ATOM 1683 CA ASN A 111 26.505 13.275 7.854 1.00 0.44 C ATOM 1684 C ASN A 111 25.024 12.920 7.760 1.00 0.49 C ATOM 1685 O ASN A 111 24.392 12.584 8.742 1.00 0.63 O ATOM 1686 CB ASN A 111 26.660 14.755 8.217 1.00 0.46 C ATOM 1687 CG ASN A 111 25.912 15.044 9.522 1.00 0.64 C ATOM 1688 OD1 ASN A 111 25.015 15.863 9.553 1.00 1.44 O ATOM 1689 ND2 ASN A 111 26.248 14.404 10.607 1.00 0.89 N ATOM 0 H ASN A 111 27.585 13.831 6.098 1.00 0.34 H new ATOM 0 HA ASN A 111 26.967 12.660 8.626 1.00 0.44 H new ATOM 0 HB2 ASN A 111 27.715 15.004 8.328 1.00 0.46 H new ATOM 0 HB3 ASN A 111 26.267 15.380 7.415 1.00 0.46 H new ATOM 0 HD21 ASN A 111 25.758 14.591 11.482 1.00 0.89 H new ATOM 0 HD22 ASN A 111 27.001 13.716 10.581 1.00 0.89 H new ATOM 1696 N LEU A 112 24.469 13.001 6.591 1.00 0.40 N ATOM 1697 CA LEU A 112 23.019 12.675 6.433 1.00 0.46 C ATOM 1698 C LEU A 112 22.763 11.233 6.865 1.00 0.62 C ATOM 1699 O LEU A 112 21.681 10.873 7.287 1.00 0.73 O ATOM 1700 CB LEU A 112 22.601 12.874 4.963 1.00 0.36 C ATOM 1701 CG LEU A 112 22.104 14.313 4.739 1.00 0.26 C ATOM 1702 CD1 LEU A 112 21.891 14.549 3.239 1.00 0.15 C ATOM 1703 CD2 LEU A 112 20.783 14.556 5.507 1.00 0.43 C ATOM 0 H LEU A 112 24.949 13.278 5.735 1.00 0.40 H new ATOM 0 HA LEU A 112 22.427 13.340 7.062 1.00 0.46 H new ATOM 0 HB2 LEU A 112 23.446 12.668 4.306 1.00 0.36 H new ATOM 0 HB3 LEU A 112 21.815 12.166 4.702 1.00 0.36 H new ATOM 0 HG LEU A 112 22.852 15.011 5.115 1.00 0.26 H new ATOM 0 HD11 LEU A 112 21.539 15.568 3.077 1.00 0.15 H new ATOM 0 HD12 LEU A 112 22.833 14.402 2.710 1.00 0.15 H new ATOM 0 HD13 LEU A 112 21.150 13.845 2.862 1.00 0.15 H new ATOM 0 HD21 LEU A 112 20.446 15.579 5.337 1.00 0.43 H new ATOM 0 HD22 LEU A 112 20.023 13.860 5.153 1.00 0.43 H new ATOM 0 HD23 LEU A 112 20.948 14.401 6.573 1.00 0.43 H new ATOM 1715 N GLY A 113 23.755 10.424 6.759 1.00 0.65 N ATOM 1716 CA GLY A 113 23.623 8.989 7.156 1.00 0.82 C ATOM 1717 C GLY A 113 23.201 8.157 5.944 1.00 0.72 C ATOM 1718 O GLY A 113 22.621 7.096 6.076 1.00 0.71 O ATOM 0 H GLY A 113 24.676 10.687 6.409 1.00 0.65 H new ATOM 0 HA2 GLY A 113 24.571 8.622 7.550 1.00 0.82 H new ATOM 0 HA3 GLY A 113 22.886 8.888 7.953 1.00 0.82 H new ATOM 1722 N GLU A 114 23.493 8.625 4.763 1.00 0.66 N ATOM 1723 CA GLU A 114 23.119 7.866 3.542 1.00 0.59 C ATOM 1724 C GLU A 114 24.151 6.746 3.315 1.00 0.79 C ATOM 1725 O GLU A 114 25.326 6.929 3.563 1.00 0.91 O ATOM 1726 CB GLU A 114 23.108 8.823 2.345 1.00 0.47 C ATOM 1727 CG GLU A 114 21.874 9.724 2.426 1.00 0.32 C ATOM 1728 CD GLU A 114 21.942 10.787 1.330 1.00 1.15 C ATOM 1729 OE1 GLU A 114 21.916 10.417 0.168 1.00 1.56 O ATOM 1730 OE2 GLU A 114 22.017 11.957 1.670 1.00 2.44 O ATOM 0 H GLU A 114 23.978 9.506 4.592 1.00 0.66 H new ATOM 0 HA GLU A 114 22.129 7.425 3.657 1.00 0.59 H new ATOM 0 HB2 GLU A 114 24.014 9.428 2.341 1.00 0.47 H new ATOM 0 HB3 GLU A 114 23.098 8.257 1.413 1.00 0.47 H new ATOM 0 HG2 GLU A 114 20.968 9.128 2.313 1.00 0.32 H new ATOM 0 HG3 GLU A 114 21.822 10.200 3.405 1.00 0.32 H new ATOM 1737 N LYS A 115 23.737 5.582 2.862 1.00 0.91 N ATOM 1738 CA LYS A 115 24.717 4.477 2.647 1.00 1.09 C ATOM 1739 C LYS A 115 25.394 4.639 1.293 1.00 0.92 C ATOM 1740 O LYS A 115 25.642 3.684 0.579 1.00 1.09 O ATOM 1741 CB LYS A 115 23.992 3.136 2.692 1.00 1.42 C ATOM 1742 CG LYS A 115 23.655 2.765 4.142 1.00 1.64 C ATOM 1743 CD LYS A 115 23.178 1.313 4.202 1.00 2.05 C ATOM 1744 CE LYS A 115 21.973 1.121 3.274 1.00 0.50 C ATOM 1745 NZ LYS A 115 21.074 2.306 3.369 1.00 1.30 N ATOM 0 H LYS A 115 22.769 5.355 2.635 1.00 0.91 H new ATOM 0 HA LYS A 115 25.472 4.513 3.433 1.00 1.09 H new ATOM 0 HB2 LYS A 115 23.078 3.188 2.100 1.00 1.42 H new ATOM 0 HB3 LYS A 115 24.616 2.362 2.246 1.00 1.42 H new ATOM 0 HG2 LYS A 115 24.532 2.897 4.775 1.00 1.64 H new ATOM 0 HG3 LYS A 115 22.881 3.429 4.528 1.00 1.64 H new ATOM 0 HD2 LYS A 115 23.986 0.643 3.907 1.00 2.05 H new ATOM 0 HD3 LYS A 115 22.906 1.053 5.225 1.00 2.05 H new ATOM 0 HE2 LYS A 115 22.310 0.990 2.246 1.00 0.50 H new ATOM 0 HE3 LYS A 115 21.430 0.217 3.549 1.00 0.50 H new ATOM 0 HZ1 LYS A 115 20.109 2.033 3.092 1.00 1.30 H new ATOM 0 HZ2 LYS A 115 21.066 2.658 4.347 1.00 1.30 H new ATOM 0 HZ3 LYS A 115 21.418 3.054 2.734 1.00 1.30 H new ATOM 1759 N LEU A 116 25.703 5.840 0.951 1.00 0.61 N ATOM 1760 CA LEU A 116 26.388 6.108 -0.352 1.00 0.44 C ATOM 1761 C LEU A 116 27.898 5.943 -0.163 1.00 0.38 C ATOM 1762 O LEU A 116 28.455 6.350 0.837 1.00 0.43 O ATOM 1763 CB LEU A 116 26.090 7.537 -0.829 1.00 0.28 C ATOM 1764 CG LEU A 116 24.596 7.677 -1.181 1.00 1.01 C ATOM 1765 CD1 LEU A 116 24.210 9.159 -1.194 1.00 1.54 C ATOM 1766 CD2 LEU A 116 24.312 7.072 -2.568 1.00 1.59 C ATOM 0 H LEU A 116 25.514 6.668 1.516 1.00 0.61 H new ATOM 0 HA LEU A 116 26.022 5.404 -1.100 1.00 0.44 H new ATOM 0 HB2 LEU A 116 26.357 8.252 -0.050 1.00 0.28 H new ATOM 0 HB3 LEU A 116 26.701 7.773 -1.701 1.00 0.28 H new ATOM 0 HG LEU A 116 24.010 7.145 -0.432 1.00 1.01 H new ATOM 0 HD11 LEU A 116 23.153 9.258 -1.443 1.00 1.54 H new ATOM 0 HD12 LEU A 116 24.393 9.591 -0.210 1.00 1.54 H new ATOM 0 HD13 LEU A 116 24.809 9.684 -1.938 1.00 1.54 H new ATOM 0 HD21 LEU A 116 23.253 7.179 -2.802 1.00 1.59 H new ATOM 0 HD22 LEU A 116 24.904 7.593 -3.320 1.00 1.59 H new ATOM 0 HD23 LEU A 116 24.578 6.015 -2.565 1.00 1.59 H new ATOM 1778 N THR A 117 28.564 5.344 -1.114 1.00 0.36 N ATOM 1779 CA THR A 117 30.040 5.148 -0.989 1.00 0.37 C ATOM 1780 C THR A 117 30.771 6.358 -1.575 1.00 0.29 C ATOM 1781 O THR A 117 30.316 6.976 -2.517 1.00 0.22 O ATOM 1782 CB THR A 117 30.454 3.889 -1.757 1.00 0.43 C ATOM 1783 OG1 THR A 117 29.990 3.981 -3.096 1.00 0.34 O ATOM 1784 CG2 THR A 117 29.845 2.657 -1.086 1.00 0.65 C ATOM 0 H THR A 117 28.150 4.981 -1.973 1.00 0.36 H new ATOM 0 HA THR A 117 30.301 5.039 0.064 1.00 0.37 H new ATOM 0 HB THR A 117 31.540 3.800 -1.754 1.00 0.43 H new ATOM 0 HG1 THR A 117 30.255 3.177 -3.590 1.00 0.34 H new ATOM 0 HG21 THR A 117 30.140 1.762 -1.633 1.00 0.65 H new ATOM 0 HG22 THR A 117 30.202 2.589 -0.058 1.00 0.65 H new ATOM 0 HG23 THR A 117 28.758 2.742 -1.088 1.00 0.65 H new ATOM 1792 N ASP A 118 31.901 6.701 -1.018 1.00 0.39 N ATOM 1793 CA ASP A 118 32.663 7.871 -1.540 1.00 0.42 C ATOM 1794 C ASP A 118 32.934 7.690 -3.039 1.00 0.34 C ATOM 1795 O ASP A 118 33.200 8.642 -3.748 1.00 0.33 O ATOM 1796 CB ASP A 118 33.992 7.984 -0.792 1.00 0.60 C ATOM 1797 CG ASP A 118 33.727 8.386 0.661 1.00 0.84 C ATOM 1798 OD1 ASP A 118 32.619 8.805 0.946 1.00 1.81 O ATOM 1799 OD2 ASP A 118 34.638 8.267 1.462 1.00 1.16 O ATOM 0 H ASP A 118 32.329 6.222 -0.225 1.00 0.39 H new ATOM 0 HA ASP A 118 32.078 8.778 -1.389 1.00 0.42 H new ATOM 0 HB2 ASP A 118 34.523 7.033 -0.826 1.00 0.60 H new ATOM 0 HB3 ASP A 118 34.631 8.723 -1.274 1.00 0.60 H new ATOM 1804 N GLU A 119 32.866 6.480 -3.529 1.00 0.32 N ATOM 1805 CA GLU A 119 33.121 6.256 -4.987 1.00 0.25 C ATOM 1806 C GLU A 119 31.923 6.777 -5.788 1.00 0.17 C ATOM 1807 O GLU A 119 32.075 7.520 -6.737 1.00 0.18 O ATOM 1808 CB GLU A 119 33.324 4.755 -5.276 1.00 0.28 C ATOM 1809 CG GLU A 119 34.769 4.351 -4.957 1.00 0.48 C ATOM 1810 CD GLU A 119 34.912 2.833 -5.089 1.00 1.04 C ATOM 1811 OE1 GLU A 119 34.235 2.266 -5.928 1.00 1.98 O ATOM 1812 OE2 GLU A 119 35.694 2.266 -4.343 1.00 1.48 O ATOM 0 H GLU A 119 32.647 5.642 -2.990 1.00 0.32 H new ATOM 0 HA GLU A 119 34.026 6.790 -5.278 1.00 0.25 H new ATOM 0 HB2 GLU A 119 32.632 4.164 -4.677 1.00 0.28 H new ATOM 0 HB3 GLU A 119 33.101 4.544 -6.322 1.00 0.28 H new ATOM 0 HG2 GLU A 119 35.457 4.853 -5.637 1.00 0.48 H new ATOM 0 HG3 GLU A 119 35.032 4.666 -3.947 1.00 0.48 H new ATOM 1819 N GLU A 120 30.732 6.398 -5.410 1.00 0.14 N ATOM 1820 CA GLU A 120 29.533 6.883 -6.149 1.00 0.17 C ATOM 1821 C GLU A 120 29.590 8.409 -6.235 1.00 0.19 C ATOM 1822 O GLU A 120 29.136 9.009 -7.188 1.00 0.35 O ATOM 1823 CB GLU A 120 28.263 6.454 -5.402 1.00 0.21 C ATOM 1824 CG GLU A 120 27.972 4.978 -5.682 1.00 0.30 C ATOM 1825 CD GLU A 120 26.804 4.510 -4.813 1.00 0.32 C ATOM 1826 OE1 GLU A 120 26.996 4.383 -3.615 1.00 0.45 O ATOM 1827 OE2 GLU A 120 25.736 4.288 -5.359 1.00 0.27 O ATOM 0 H GLU A 120 30.539 5.776 -4.625 1.00 0.14 H new ATOM 0 HA GLU A 120 29.517 6.458 -7.153 1.00 0.17 H new ATOM 0 HB2 GLU A 120 28.389 6.613 -4.331 1.00 0.21 H new ATOM 0 HB3 GLU A 120 27.419 7.067 -5.718 1.00 0.21 H new ATOM 0 HG2 GLU A 120 27.733 4.838 -6.736 1.00 0.30 H new ATOM 0 HG3 GLU A 120 28.857 4.377 -5.473 1.00 0.30 H new ATOM 1834 N VAL A 121 30.152 9.038 -5.240 1.00 0.10 N ATOM 1835 CA VAL A 121 30.248 10.521 -5.246 1.00 0.19 C ATOM 1836 C VAL A 121 31.317 10.964 -6.245 1.00 0.25 C ATOM 1837 O VAL A 121 31.155 11.935 -6.960 1.00 0.31 O ATOM 1838 CB VAL A 121 30.622 11.006 -3.843 1.00 0.22 C ATOM 1839 CG1 VAL A 121 30.890 12.512 -3.871 1.00 0.39 C ATOM 1840 CG2 VAL A 121 29.470 10.710 -2.877 1.00 0.08 C ATOM 0 H VAL A 121 30.551 8.583 -4.419 1.00 0.10 H new ATOM 0 HA VAL A 121 29.288 10.948 -5.538 1.00 0.19 H new ATOM 0 HB VAL A 121 31.521 10.487 -3.510 1.00 0.22 H new ATOM 0 HG11 VAL A 121 31.156 12.853 -2.870 1.00 0.39 H new ATOM 0 HG12 VAL A 121 31.711 12.723 -4.556 1.00 0.39 H new ATOM 0 HG13 VAL A 121 29.994 13.035 -4.206 1.00 0.39 H new ATOM 0 HG21 VAL A 121 29.735 11.055 -1.878 1.00 0.08 H new ATOM 0 HG22 VAL A 121 28.571 11.228 -3.213 1.00 0.08 H new ATOM 0 HG23 VAL A 121 29.283 9.637 -2.852 1.00 0.08 H new ATOM 1850 N ASP A 122 32.411 10.265 -6.294 1.00 0.24 N ATOM 1851 CA ASP A 122 33.500 10.644 -7.239 1.00 0.30 C ATOM 1852 C ASP A 122 32.919 10.848 -8.644 1.00 0.32 C ATOM 1853 O ASP A 122 33.299 11.762 -9.347 1.00 0.38 O ATOM 1854 CB ASP A 122 34.568 9.543 -7.271 1.00 0.35 C ATOM 1855 CG ASP A 122 35.404 9.593 -5.990 1.00 0.38 C ATOM 1856 OD1 ASP A 122 35.447 10.644 -5.369 1.00 1.10 O ATOM 1857 OD2 ASP A 122 35.993 8.580 -5.652 1.00 1.06 O ATOM 0 H ASP A 122 32.602 9.444 -5.720 1.00 0.24 H new ATOM 0 HA ASP A 122 33.958 11.574 -6.903 1.00 0.30 H new ATOM 0 HB2 ASP A 122 34.094 8.566 -7.368 1.00 0.35 H new ATOM 0 HB3 ASP A 122 35.211 9.673 -8.141 1.00 0.35 H new ATOM 1862 N GLU A 123 31.996 10.019 -9.055 1.00 0.31 N ATOM 1863 CA GLU A 123 31.401 10.198 -10.412 1.00 0.32 C ATOM 1864 C GLU A 123 30.516 11.449 -10.386 1.00 0.30 C ATOM 1865 O GLU A 123 30.502 12.233 -11.314 1.00 0.33 O ATOM 1866 CB GLU A 123 30.561 8.959 -10.781 1.00 0.36 C ATOM 1867 CG GLU A 123 31.446 7.915 -11.474 1.00 1.38 C ATOM 1868 CD GLU A 123 30.677 6.599 -11.605 1.00 1.54 C ATOM 1869 OE1 GLU A 123 30.029 6.217 -10.644 1.00 1.91 O ATOM 1870 OE2 GLU A 123 30.747 5.998 -12.664 1.00 2.15 O ATOM 0 H GLU A 123 31.631 9.233 -8.516 1.00 0.31 H new ATOM 0 HA GLU A 123 32.187 10.315 -11.158 1.00 0.32 H new ATOM 0 HB2 GLU A 123 30.114 8.531 -9.883 1.00 0.36 H new ATOM 0 HB3 GLU A 123 29.741 9.248 -11.439 1.00 0.36 H new ATOM 0 HG2 GLU A 123 31.745 8.273 -12.459 1.00 1.38 H new ATOM 0 HG3 GLU A 123 32.360 7.759 -10.900 1.00 1.38 H new ATOM 1877 N MET A 124 29.789 11.643 -9.322 1.00 0.27 N ATOM 1878 CA MET A 124 28.919 12.847 -9.225 1.00 0.28 C ATOM 1879 C MET A 124 29.802 14.102 -9.232 1.00 0.31 C ATOM 1880 O MET A 124 29.385 15.165 -9.645 1.00 0.34 O ATOM 1881 CB MET A 124 28.097 12.761 -7.950 1.00 0.24 C ATOM 1882 CG MET A 124 27.137 11.573 -8.045 1.00 0.25 C ATOM 1883 SD MET A 124 26.019 11.585 -6.623 1.00 0.28 S ATOM 1884 CE MET A 124 25.290 9.950 -6.888 1.00 0.61 C ATOM 0 H MET A 124 29.760 11.020 -8.515 1.00 0.27 H new ATOM 0 HA MET A 124 28.237 12.899 -10.073 1.00 0.28 H new ATOM 0 HB2 MET A 124 28.754 12.644 -7.088 1.00 0.24 H new ATOM 0 HB3 MET A 124 27.537 13.684 -7.802 1.00 0.24 H new ATOM 0 HG2 MET A 124 26.565 11.627 -8.971 1.00 0.25 H new ATOM 0 HG3 MET A 124 27.699 10.639 -8.072 1.00 0.25 H new ATOM 0 HE1 MET A 124 24.557 9.748 -6.107 1.00 0.61 H new ATOM 0 HE2 MET A 124 24.801 9.923 -7.862 1.00 0.61 H new ATOM 0 HE3 MET A 124 26.073 9.193 -6.855 1.00 0.61 H new ATOM 1894 N ILE A 125 31.026 13.973 -8.800 1.00 0.32 N ATOM 1895 CA ILE A 125 31.961 15.141 -8.799 1.00 0.35 C ATOM 1896 C ILE A 125 32.516 15.364 -10.220 1.00 0.41 C ATOM 1897 O ILE A 125 32.857 16.470 -10.588 1.00 0.46 O ATOM 1898 CB ILE A 125 33.108 14.853 -7.815 1.00 0.35 C ATOM 1899 CG1 ILE A 125 32.564 14.963 -6.382 1.00 0.31 C ATOM 1900 CG2 ILE A 125 34.239 15.868 -8.022 1.00 0.41 C ATOM 1901 CD1 ILE A 125 33.642 14.592 -5.362 1.00 0.31 C ATOM 0 H ILE A 125 31.424 13.104 -8.445 1.00 0.32 H new ATOM 0 HA ILE A 125 31.434 16.043 -8.489 1.00 0.35 H new ATOM 0 HB ILE A 125 33.502 13.851 -7.987 1.00 0.35 H new ATOM 0 HG12 ILE A 125 32.216 15.979 -6.197 1.00 0.31 H new ATOM 0 HG13 ILE A 125 31.703 14.305 -6.264 1.00 0.31 H new ATOM 0 HG21 ILE A 125 35.048 15.659 -7.322 1.00 0.41 H new ATOM 0 HG22 ILE A 125 34.613 15.792 -9.043 1.00 0.41 H new ATOM 0 HG23 ILE A 125 33.860 16.875 -7.848 1.00 0.41 H new ATOM 0 HD11 ILE A 125 33.234 14.677 -4.355 1.00 0.31 H new ATOM 0 HD12 ILE A 125 33.970 13.567 -5.536 1.00 0.31 H new ATOM 0 HD13 ILE A 125 34.491 15.267 -5.468 1.00 0.31 H new ATOM 1913 N ARG A 126 32.621 14.328 -11.013 1.00 0.41 N ATOM 1914 CA ARG A 126 33.166 14.489 -12.399 1.00 0.47 C ATOM 1915 C ARG A 126 32.315 15.492 -13.196 1.00 0.48 C ATOM 1916 O ARG A 126 32.838 16.416 -13.787 1.00 0.49 O ATOM 1917 CB ARG A 126 33.164 13.120 -13.112 1.00 0.54 C ATOM 1918 CG ARG A 126 34.479 12.367 -12.831 1.00 0.38 C ATOM 1919 CD ARG A 126 35.676 13.087 -13.505 1.00 1.60 C ATOM 1920 NE ARG A 126 36.519 12.099 -14.256 1.00 2.01 N ATOM 1921 CZ ARG A 126 36.882 10.964 -13.718 1.00 1.38 C ATOM 1922 NH1 ARG A 126 36.590 10.700 -12.474 1.00 0.27 N ATOM 1923 NH2 ARG A 126 37.562 10.102 -14.422 1.00 2.16 N ATOM 0 H ARG A 126 32.353 13.376 -10.762 1.00 0.41 H new ATOM 0 HA ARG A 126 34.186 14.869 -12.338 1.00 0.47 H new ATOM 0 HB2 ARG A 126 32.317 12.526 -12.770 1.00 0.54 H new ATOM 0 HB3 ARG A 126 33.041 13.262 -14.186 1.00 0.54 H new ATOM 0 HG2 ARG A 126 34.645 12.303 -11.756 1.00 0.38 H new ATOM 0 HG3 ARG A 126 34.406 11.345 -13.203 1.00 0.38 H new ATOM 0 HD2 ARG A 126 35.311 13.856 -14.186 1.00 1.60 H new ATOM 0 HD3 ARG A 126 36.279 13.591 -12.749 1.00 1.60 H new ATOM 0 HE ARG A 126 36.815 12.318 -15.207 1.00 2.01 H new ATOM 0 HH11 ARG A 126 36.076 11.381 -11.915 1.00 0.27 H new ATOM 0 HH12 ARG A 126 36.876 9.813 -12.060 1.00 0.27 H new ATOM 0 HH21 ARG A 126 37.809 10.314 -15.389 1.00 2.16 H new ATOM 0 HH22 ARG A 126 37.847 9.215 -14.006 1.00 2.16 H new ATOM 1937 N GLU A 127 31.021 15.310 -13.247 1.00 0.47 N ATOM 1938 CA GLU A 127 30.176 16.259 -14.043 1.00 0.48 C ATOM 1939 C GLU A 127 29.932 17.558 -13.250 1.00 0.43 C ATOM 1940 O GLU A 127 29.634 18.587 -13.822 1.00 0.43 O ATOM 1941 CB GLU A 127 28.831 15.589 -14.391 1.00 0.50 C ATOM 1942 CG GLU A 127 28.997 14.702 -15.630 1.00 0.61 C ATOM 1943 CD GLU A 127 29.114 15.583 -16.876 1.00 1.84 C ATOM 1944 OE1 GLU A 127 28.960 16.786 -16.744 1.00 2.92 O ATOM 1945 OE2 GLU A 127 29.360 15.039 -17.940 1.00 2.19 O ATOM 0 H GLU A 127 30.515 14.557 -12.780 1.00 0.47 H new ATOM 0 HA GLU A 127 30.701 16.511 -14.964 1.00 0.48 H new ATOM 0 HB2 GLU A 127 28.484 14.991 -13.548 1.00 0.50 H new ATOM 0 HB3 GLU A 127 28.073 16.350 -14.576 1.00 0.50 H new ATOM 0 HG2 GLU A 127 29.885 14.078 -15.528 1.00 0.61 H new ATOM 0 HG3 GLU A 127 28.145 14.029 -15.726 1.00 0.61 H new ATOM 1952 N ALA A 128 30.104 17.539 -11.952 1.00 0.39 N ATOM 1953 CA ALA A 128 29.937 18.778 -11.155 1.00 0.34 C ATOM 1954 C ALA A 128 31.298 19.436 -11.090 1.00 0.31 C ATOM 1955 O ALA A 128 31.973 19.346 -10.095 1.00 0.30 O ATOM 1956 CB ALA A 128 29.481 18.463 -9.736 1.00 0.31 C ATOM 0 H ALA A 128 30.354 16.710 -11.413 1.00 0.39 H new ATOM 0 HA ALA A 128 29.185 19.419 -11.616 1.00 0.34 H new ATOM 0 HB1 ALA A 128 29.367 19.391 -9.176 1.00 0.31 H new ATOM 0 HB2 ALA A 128 28.526 17.939 -9.769 1.00 0.31 H new ATOM 0 HB3 ALA A 128 30.224 17.833 -9.247 1.00 0.31 H new ATOM 1962 N ASP A 129 31.698 20.054 -12.156 1.00 0.31 N ATOM 1963 CA ASP A 129 33.041 20.711 -12.229 1.00 0.30 C ATOM 1964 C ASP A 129 33.352 21.393 -10.893 1.00 0.27 C ATOM 1965 O ASP A 129 33.136 22.573 -10.699 1.00 0.26 O ATOM 1966 CB ASP A 129 33.017 21.748 -13.354 1.00 0.31 C ATOM 1967 CG ASP A 129 32.202 21.203 -14.527 1.00 1.21 C ATOM 1968 OD1 ASP A 129 30.992 21.118 -14.395 1.00 1.91 O ATOM 1969 OD2 ASP A 129 32.802 20.879 -15.540 1.00 1.81 O ATOM 0 H ASP A 129 31.142 20.138 -13.007 1.00 0.31 H new ATOM 0 HA ASP A 129 33.812 19.968 -12.431 1.00 0.30 H new ATOM 0 HB2 ASP A 129 32.581 22.680 -12.995 1.00 0.31 H new ATOM 0 HB3 ASP A 129 34.033 21.975 -13.677 1.00 0.31 H new ATOM 1974 N ILE A 130 33.809 20.608 -9.965 1.00 0.29 N ATOM 1975 CA ILE A 130 34.101 21.102 -8.593 1.00 0.27 C ATOM 1976 C ILE A 130 35.475 21.766 -8.520 1.00 0.27 C ATOM 1977 O ILE A 130 35.921 22.222 -7.484 1.00 0.30 O ATOM 1978 CB ILE A 130 34.017 19.868 -7.675 1.00 0.28 C ATOM 1979 CG1 ILE A 130 32.509 19.511 -7.371 1.00 0.30 C ATOM 1980 CG2 ILE A 130 34.851 20.074 -6.411 1.00 0.24 C ATOM 1981 CD1 ILE A 130 32.243 19.305 -5.870 1.00 0.31 C ATOM 0 H ILE A 130 33.998 19.615 -10.103 1.00 0.29 H new ATOM 0 HA ILE A 130 33.389 21.869 -8.287 1.00 0.27 H new ATOM 0 HB ILE A 130 34.447 19.008 -8.188 1.00 0.28 H new ATOM 0 HG12 ILE A 130 31.868 20.310 -7.744 1.00 0.30 H new ATOM 0 HG13 ILE A 130 32.237 18.605 -7.912 1.00 0.30 H new ATOM 0 HG21 ILE A 130 34.777 19.190 -5.778 1.00 0.24 H new ATOM 0 HG22 ILE A 130 35.893 20.237 -6.685 1.00 0.24 H new ATOM 0 HG23 ILE A 130 34.479 20.942 -5.867 1.00 0.24 H new ATOM 0 HD11 ILE A 130 31.192 19.062 -5.717 1.00 0.31 H new ATOM 0 HD12 ILE A 130 32.862 18.488 -5.500 1.00 0.31 H new ATOM 0 HD13 ILE A 130 32.487 20.219 -5.329 1.00 0.31 H new ATOM 2024 N GLY A 134 36.268 26.072 -6.683 1.00 0.51 N ATOM 2025 CA GLY A 134 36.427 25.392 -5.360 1.00 0.72 C ATOM 2026 C GLY A 134 35.075 25.313 -4.644 1.00 0.62 C ATOM 2027 O GLY A 134 34.735 24.305 -4.056 1.00 1.03 O ATOM 0 HA2 GLY A 134 36.831 24.390 -5.504 1.00 0.72 H new ATOM 0 HA3 GLY A 134 37.142 25.938 -4.745 1.00 0.72 H new ATOM 2031 N GLN A 135 34.302 26.365 -4.680 1.00 0.13 N ATOM 2032 CA GLN A 135 32.976 26.358 -3.998 1.00 0.17 C ATOM 2033 C GLN A 135 31.889 25.964 -5.006 1.00 0.22 C ATOM 2034 O GLN A 135 31.943 26.337 -6.161 1.00 0.32 O ATOM 2035 CB GLN A 135 32.702 27.766 -3.451 1.00 0.25 C ATOM 2036 CG GLN A 135 34.026 28.417 -3.023 1.00 0.49 C ATOM 2037 CD GLN A 135 34.768 28.957 -4.249 1.00 2.93 C ATOM 2038 OE1 GLN A 135 34.155 29.378 -5.209 1.00 4.29 O ATOM 2039 NE2 GLN A 135 36.073 28.963 -4.254 1.00 3.97 N ATOM 0 H GLN A 135 34.535 27.236 -5.157 1.00 0.13 H new ATOM 0 HA GLN A 135 32.974 25.639 -3.179 1.00 0.17 H new ATOM 0 HB2 GLN A 135 32.215 28.375 -4.213 1.00 0.25 H new ATOM 0 HB3 GLN A 135 32.020 27.711 -2.602 1.00 0.25 H new ATOM 0 HG2 GLN A 135 33.831 29.227 -2.320 1.00 0.49 H new ATOM 0 HG3 GLN A 135 34.648 27.687 -2.504 1.00 0.49 H new ATOM 0 HE21 GLN A 135 36.588 28.609 -3.448 1.00 3.97 H new ATOM 0 HE22 GLN A 135 36.578 29.321 -5.064 1.00 3.97 H new ATOM 2048 N VAL A 136 30.911 25.201 -4.587 1.00 0.16 N ATOM 2049 CA VAL A 136 29.833 24.774 -5.525 1.00 0.24 C ATOM 2050 C VAL A 136 28.499 24.760 -4.776 1.00 0.30 C ATOM 2051 O VAL A 136 28.445 24.498 -3.588 1.00 0.30 O ATOM 2052 CB VAL A 136 30.149 23.348 -6.009 1.00 0.17 C ATOM 2053 CG1 VAL A 136 29.516 23.065 -7.382 1.00 0.27 C ATOM 2054 CG2 VAL A 136 31.662 23.160 -6.107 1.00 0.25 C ATOM 0 H VAL A 136 30.814 24.855 -3.632 1.00 0.16 H new ATOM 0 HA VAL A 136 29.774 25.458 -6.372 1.00 0.24 H new ATOM 0 HB VAL A 136 29.728 22.650 -5.285 1.00 0.17 H new ATOM 0 HG11 VAL A 136 29.760 22.049 -7.693 1.00 0.27 H new ATOM 0 HG12 VAL A 136 28.434 23.173 -7.313 1.00 0.27 H new ATOM 0 HG13 VAL A 136 29.905 23.772 -8.115 1.00 0.27 H new ATOM 0 HG21 VAL A 136 31.882 22.149 -6.450 1.00 0.25 H new ATOM 0 HG22 VAL A 136 32.073 23.880 -6.814 1.00 0.25 H new ATOM 0 HG23 VAL A 136 32.112 23.316 -5.127 1.00 0.25 H new ATOM 2064 N ASN A 137 27.420 25.000 -5.462 1.00 0.43 N ATOM 2065 CA ASN A 137 26.091 24.956 -4.792 1.00 0.56 C ATOM 2066 C ASN A 137 25.642 23.491 -4.767 1.00 0.46 C ATOM 2067 O ASN A 137 26.321 22.623 -5.279 1.00 0.69 O ATOM 2068 CB ASN A 137 25.097 25.840 -5.555 1.00 0.76 C ATOM 2069 CG ASN A 137 23.658 25.471 -5.190 1.00 1.77 C ATOM 2070 OD1 ASN A 137 23.054 24.639 -5.833 1.00 1.83 O ATOM 2071 ND2 ASN A 137 23.082 26.063 -4.179 1.00 2.75 N ATOM 0 H ASN A 137 27.399 25.225 -6.457 1.00 0.43 H new ATOM 0 HA ASN A 137 26.144 25.339 -3.773 1.00 0.56 H new ATOM 0 HB2 ASN A 137 25.280 26.889 -5.320 1.00 0.76 H new ATOM 0 HB3 ASN A 137 25.247 25.723 -6.628 1.00 0.76 H new ATOM 0 HD21 ASN A 137 22.122 25.826 -3.929 1.00 2.75 H new ATOM 0 HD22 ASN A 137 23.592 26.763 -3.640 1.00 2.75 H new ATOM 2078 N TYR A 138 24.540 23.202 -4.133 1.00 0.55 N ATOM 2079 CA TYR A 138 24.074 21.771 -4.014 1.00 0.50 C ATOM 2080 C TYR A 138 22.870 21.445 -4.935 1.00 0.48 C ATOM 2081 O TYR A 138 22.685 20.300 -5.280 1.00 0.42 O ATOM 2082 CB TYR A 138 23.688 21.509 -2.542 1.00 0.58 C ATOM 2083 CG TYR A 138 23.237 22.802 -1.902 1.00 0.41 C ATOM 2084 CD1 TYR A 138 24.187 23.721 -1.435 1.00 0.86 C ATOM 2085 CD2 TYR A 138 21.872 23.088 -1.779 1.00 1.17 C ATOM 2086 CE1 TYR A 138 23.766 24.923 -0.850 1.00 1.07 C ATOM 2087 CE2 TYR A 138 21.456 24.284 -1.196 1.00 0.98 C ATOM 2088 CZ TYR A 138 22.398 25.202 -0.729 1.00 0.41 C ATOM 2089 OH TYR A 138 21.979 26.382 -0.156 1.00 0.56 O ATOM 0 H TYR A 138 23.933 23.890 -3.687 1.00 0.55 H new ATOM 0 HA TYR A 138 24.891 21.124 -4.333 1.00 0.50 H new ATOM 0 HB2 TYR A 138 22.891 20.768 -2.490 1.00 0.58 H new ATOM 0 HB3 TYR A 138 24.540 21.100 -1.999 1.00 0.58 H new ATOM 0 HD1 TYR A 138 25.241 23.503 -1.526 1.00 0.86 H new ATOM 0 HD2 TYR A 138 21.139 22.380 -2.137 1.00 1.17 H new ATOM 0 HE1 TYR A 138 24.496 25.634 -0.492 1.00 1.07 H new ATOM 0 HE2 TYR A 138 20.402 24.501 -1.105 1.00 0.98 H new ATOM 0 HH TYR A 138 21.000 26.414 -0.153 1.00 0.56 H new ATOM 2099 N GLU A 139 22.042 22.399 -5.312 1.00 0.56 N ATOM 2100 CA GLU A 139 20.853 22.072 -6.175 1.00 0.56 C ATOM 2101 C GLU A 139 21.223 21.032 -7.242 1.00 0.50 C ATOM 2102 O GLU A 139 20.478 20.104 -7.489 1.00 0.49 O ATOM 2103 CB GLU A 139 20.334 23.359 -6.855 1.00 0.60 C ATOM 2104 CG GLU A 139 19.327 24.083 -5.946 1.00 1.31 C ATOM 2105 CD GLU A 139 19.906 24.226 -4.538 1.00 2.77 C ATOM 2106 OE1 GLU A 139 19.744 23.302 -3.759 1.00 4.00 O ATOM 2107 OE2 GLU A 139 20.492 25.258 -4.263 1.00 3.04 O ATOM 0 H GLU A 139 22.137 23.383 -5.061 1.00 0.56 H new ATOM 0 HA GLU A 139 20.070 21.652 -5.543 1.00 0.56 H new ATOM 0 HB2 GLU A 139 21.170 24.021 -7.080 1.00 0.60 H new ATOM 0 HB3 GLU A 139 19.861 23.110 -7.805 1.00 0.60 H new ATOM 0 HG2 GLU A 139 19.096 25.067 -6.355 1.00 1.31 H new ATOM 0 HG3 GLU A 139 18.391 23.525 -5.909 1.00 1.31 H new ATOM 2114 N GLU A 140 22.354 21.162 -7.868 1.00 0.47 N ATOM 2115 CA GLU A 140 22.736 20.157 -8.899 1.00 0.42 C ATOM 2116 C GLU A 140 23.107 18.842 -8.201 1.00 0.39 C ATOM 2117 O GLU A 140 22.726 17.763 -8.625 1.00 0.40 O ATOM 2118 CB GLU A 140 23.936 20.676 -9.700 1.00 0.40 C ATOM 2119 CG GLU A 140 24.033 19.931 -11.035 1.00 1.50 C ATOM 2120 CD GLU A 140 22.979 20.472 -12.004 1.00 1.85 C ATOM 2121 OE1 GLU A 140 23.083 21.630 -12.374 1.00 1.48 O ATOM 2122 OE2 GLU A 140 22.086 19.718 -12.360 1.00 3.08 O ATOM 0 H GLU A 140 23.027 21.913 -7.715 1.00 0.47 H new ATOM 0 HA GLU A 140 21.901 19.987 -9.578 1.00 0.42 H new ATOM 0 HB2 GLU A 140 23.830 21.746 -9.878 1.00 0.40 H new ATOM 0 HB3 GLU A 140 24.854 20.537 -9.128 1.00 0.40 H new ATOM 0 HG2 GLU A 140 25.029 20.054 -11.460 1.00 1.50 H new ATOM 0 HG3 GLU A 140 23.883 18.863 -10.878 1.00 1.50 H new ATOM 2129 N PHE A 141 23.854 18.925 -7.135 1.00 0.33 N ATOM 2130 CA PHE A 141 24.268 17.690 -6.407 1.00 0.29 C ATOM 2131 C PHE A 141 23.053 17.065 -5.701 1.00 0.30 C ATOM 2132 O PHE A 141 23.060 15.893 -5.377 1.00 0.32 O ATOM 2133 CB PHE A 141 25.373 18.044 -5.373 1.00 0.24 C ATOM 2134 CG PHE A 141 26.688 17.413 -5.777 1.00 0.19 C ATOM 2135 CD1 PHE A 141 26.864 16.037 -5.616 1.00 0.25 C ATOM 2136 CD2 PHE A 141 27.714 18.195 -6.323 1.00 0.16 C ATOM 2137 CE1 PHE A 141 28.066 15.441 -5.999 1.00 0.22 C ATOM 2138 CE2 PHE A 141 28.921 17.585 -6.707 1.00 0.17 C ATOM 2139 CZ PHE A 141 29.089 16.216 -6.542 1.00 0.17 C ATOM 0 H PHE A 141 24.197 19.798 -6.734 1.00 0.33 H new ATOM 0 HA PHE A 141 24.666 16.965 -7.118 1.00 0.29 H new ATOM 0 HB2 PHE A 141 25.486 19.126 -5.306 1.00 0.24 H new ATOM 0 HB3 PHE A 141 25.081 17.692 -4.383 1.00 0.24 H new ATOM 0 HD1 PHE A 141 26.071 15.436 -5.196 1.00 0.25 H new ATOM 0 HD2 PHE A 141 27.579 19.259 -6.448 1.00 0.16 H new ATOM 0 HE1 PHE A 141 28.204 14.377 -5.874 1.00 0.22 H new ATOM 0 HE2 PHE A 141 29.717 18.180 -7.130 1.00 0.17 H new ATOM 0 HZ PHE A 141 30.018 15.750 -6.836 1.00 0.17 H new ATOM 2149 N VAL A 142 22.019 17.819 -5.458 1.00 0.34 N ATOM 2150 CA VAL A 142 20.832 17.236 -4.775 1.00 0.36 C ATOM 2151 C VAL A 142 20.137 16.253 -5.719 1.00 0.43 C ATOM 2152 O VAL A 142 19.775 15.156 -5.344 1.00 0.45 O ATOM 2153 CB VAL A 142 19.844 18.352 -4.406 1.00 0.41 C ATOM 2154 CG1 VAL A 142 18.571 17.724 -3.819 1.00 0.44 C ATOM 2155 CG2 VAL A 142 20.486 19.317 -3.377 1.00 0.35 C ATOM 0 H VAL A 142 21.944 18.807 -5.701 1.00 0.34 H new ATOM 0 HA VAL A 142 21.157 16.721 -3.871 1.00 0.36 H new ATOM 0 HB VAL A 142 19.590 18.921 -5.300 1.00 0.41 H new ATOM 0 HG11 VAL A 142 17.865 18.512 -3.555 1.00 0.44 H new ATOM 0 HG12 VAL A 142 18.117 17.063 -4.558 1.00 0.44 H new ATOM 0 HG13 VAL A 142 18.826 17.151 -2.927 1.00 0.44 H new ATOM 0 HG21 VAL A 142 19.775 20.104 -3.124 1.00 0.35 H new ATOM 0 HG22 VAL A 142 20.752 18.764 -2.476 1.00 0.35 H new ATOM 0 HG23 VAL A 142 21.383 19.763 -3.807 1.00 0.35 H new ATOM 2165 N GLN A 143 19.940 16.653 -6.950 1.00 0.49 N ATOM 2166 CA GLN A 143 19.257 15.765 -7.933 1.00 0.57 C ATOM 2167 C GLN A 143 20.123 14.537 -8.235 1.00 0.57 C ATOM 2168 O GLN A 143 19.625 13.496 -8.610 1.00 0.63 O ATOM 2169 CB GLN A 143 19.012 16.541 -9.231 1.00 0.63 C ATOM 2170 CG GLN A 143 17.966 17.632 -8.987 1.00 0.68 C ATOM 2171 CD GLN A 143 17.679 18.365 -10.301 1.00 0.63 C ATOM 2172 OE1 GLN A 143 17.343 17.750 -11.292 1.00 1.30 O ATOM 2173 NE2 GLN A 143 17.797 19.664 -10.346 1.00 0.53 N ATOM 0 H GLN A 143 20.225 17.561 -7.316 1.00 0.49 H new ATOM 0 HA GLN A 143 18.308 15.434 -7.510 1.00 0.57 H new ATOM 0 HB2 GLN A 143 19.943 16.987 -9.581 1.00 0.63 H new ATOM 0 HB3 GLN A 143 18.670 15.863 -10.013 1.00 0.63 H new ATOM 0 HG2 GLN A 143 17.049 17.191 -8.596 1.00 0.68 H new ATOM 0 HG3 GLN A 143 18.327 18.336 -8.237 1.00 0.68 H new ATOM 0 HE21 GLN A 143 18.079 20.180 -9.512 1.00 0.53 H new ATOM 0 HE22 GLN A 143 17.607 20.164 -11.215 1.00 0.53 H new ATOM 2182 N MET A 144 21.416 14.651 -8.091 1.00 0.51 N ATOM 2183 CA MET A 144 22.299 13.484 -8.392 1.00 0.53 C ATOM 2184 C MET A 144 22.159 12.415 -7.302 1.00 0.53 C ATOM 2185 O MET A 144 22.117 11.234 -7.586 1.00 0.58 O ATOM 2186 CB MET A 144 23.764 13.955 -8.482 1.00 0.46 C ATOM 2187 CG MET A 144 24.057 14.497 -9.886 1.00 0.52 C ATOM 2188 SD MET A 144 25.806 14.942 -10.009 1.00 0.77 S ATOM 2189 CE MET A 144 25.652 16.149 -11.352 1.00 0.47 C ATOM 0 H MET A 144 21.898 15.495 -7.780 1.00 0.51 H new ATOM 0 HA MET A 144 22.000 13.049 -9.346 1.00 0.53 H new ATOM 0 HB2 MET A 144 23.952 14.729 -7.738 1.00 0.46 H new ATOM 0 HB3 MET A 144 24.435 13.126 -8.256 1.00 0.46 H new ATOM 0 HG2 MET A 144 23.808 13.746 -10.636 1.00 0.52 H new ATOM 0 HG3 MET A 144 23.434 15.368 -10.088 1.00 0.52 H new ATOM 0 HE1 MET A 144 26.577 16.172 -11.929 1.00 0.47 H new ATOM 0 HE2 MET A 144 24.825 15.865 -12.003 1.00 0.47 H new ATOM 0 HE3 MET A 144 25.462 17.137 -10.933 1.00 0.47 H new ATOM 2199 N MET A 145 22.091 12.806 -6.062 1.00 0.49 N ATOM 2200 CA MET A 145 21.959 11.792 -4.977 1.00 0.51 C ATOM 2201 C MET A 145 20.628 11.052 -5.127 1.00 0.59 C ATOM 2202 O MET A 145 20.450 9.967 -4.611 1.00 0.64 O ATOM 2203 CB MET A 145 22.002 12.490 -3.609 1.00 0.42 C ATOM 2204 CG MET A 145 23.429 13.023 -3.307 1.00 0.42 C ATOM 2205 SD MET A 145 24.007 12.385 -1.708 1.00 0.43 S ATOM 2206 CE MET A 145 22.996 13.447 -0.646 1.00 0.42 C ATOM 0 H MET A 145 22.121 13.777 -5.752 1.00 0.49 H new ATOM 0 HA MET A 145 22.782 11.081 -5.048 1.00 0.51 H new ATOM 0 HB2 MET A 145 21.290 13.315 -3.594 1.00 0.42 H new ATOM 0 HB3 MET A 145 21.697 11.792 -2.830 1.00 0.42 H new ATOM 0 HG2 MET A 145 24.114 12.719 -4.098 1.00 0.42 H new ATOM 0 HG3 MET A 145 23.423 14.113 -3.292 1.00 0.42 H new ATOM 0 HE1 MET A 145 23.460 13.526 0.337 1.00 0.42 H new ATOM 0 HE2 MET A 145 22.919 14.439 -1.091 1.00 0.42 H new ATOM 0 HE3 MET A 145 22.000 13.017 -0.544 1.00 0.42 H new ATOM 2216 N THR A 146 19.693 11.630 -5.825 1.00 0.61 N ATOM 2217 CA THR A 146 18.379 10.981 -6.013 1.00 0.69 C ATOM 2218 C THR A 146 18.486 9.935 -7.124 1.00 0.85 C ATOM 2219 O THR A 146 18.503 8.747 -6.882 1.00 1.37 O ATOM 2220 CB THR A 146 17.379 12.092 -6.390 1.00 0.68 C ATOM 2221 OG1 THR A 146 18.105 13.277 -6.678 1.00 0.64 O ATOM 2222 CG2 THR A 146 16.417 12.371 -5.231 1.00 0.66 C ATOM 0 H THR A 146 19.790 12.539 -6.278 1.00 0.61 H new ATOM 0 HA THR A 146 18.046 10.471 -5.109 1.00 0.69 H new ATOM 0 HB THR A 146 16.801 11.770 -7.256 1.00 0.68 H new ATOM 0 HG1 THR A 146 18.258 13.341 -7.644 1.00 0.64 H new ATOM 0 HG21 THR A 146 15.720 13.158 -5.518 1.00 0.66 H new ATOM 0 HG22 THR A 146 15.862 11.464 -4.993 1.00 0.66 H new ATOM 0 HG23 THR A 146 16.984 12.690 -4.356 1.00 0.66 H new