USER MOD reduce.3.24.130724 H: found=0, std=0, add=854, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 858 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 107 HIS : no HE2:sc= -5.51! C(o=-11!,f=-20!) USER MOD Set 1.2: A 111 ASN : amide:sc= -5.02! C(o=-11!,f=-18!) USER MOD Single : A 8 GLN : amide:sc= -0.0298 K(o=-0.03,f=-1.6!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot -40:sc= 0.804 USER MOD Single : A 21 LYS NZ :NH3+ 152:sc= -0.14 (180deg=-0.888) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot -160:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0.0515 USER MOD Single : A 30 LYS NZ :NH3+ 161:sc= -0.0873 (180deg=-0.595) USER MOD Single : A 34 THR OG1 : rot 180:sc=5.83e-05 USER MOD Single : A 36 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot -56:sc= 1.21 USER MOD Single : A 41 GLN : amide:sc= -0.104 X(o=-0.1,f=-0.13) USER MOD Single : A 42 ASN : amide:sc= -0.932 K(o=-0.93,f=-0.096) USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.485 USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) 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 -166:sc= 0 (180deg=-0.358) USER MOD Single : A 72 MET CE :methyl 179:sc= -1.13 (180deg=-1.16) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= 0.0227 USER MOD Single : A 109 MET CE :methyl 180:sc= -3.07 (180deg=-3.07) USER MOD Single : A 110 THR OG1 : rot -64:sc= -0.561 USER MOD Single : A 115 LYS NZ :NH3+ 167:sc= -0.0115 (180deg=-0.262) USER MOD Single : A 117 THR OG1 : rot -77:sc= 1.11 USER MOD Single : A 124 MET CE :methyl -168:sc= 0 (180deg=-0.12) USER MOD Single : A 135 GLN : amide:sc= -0.661 K(o=-0.66,f=0) USER MOD Single : A 137 ASN : amide:sc= -13.7! C(o=-14!,f=-4!) USER MOD Single : A 138 TYR OH : rot 180:sc= 0 USER MOD Single : A 143 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 144 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 145 MET CE :methyl -147:sc= -0.511 (180deg=-2.52!) USER MOD Single : A 146 THR OG1 : rot 96:sc= 0.226 USER MOD ----------------------------------------------------------------- ATOM 105 N GLN A 8 14.044 2.261 -3.068 1.00 0.38 N ATOM 106 CA GLN A 8 12.691 2.577 -2.534 1.00 0.32 C ATOM 107 C GLN A 8 11.702 1.507 -3.010 1.00 0.34 C ATOM 108 O GLN A 8 10.825 1.093 -2.277 1.00 0.34 O ATOM 109 CB GLN A 8 12.247 3.958 -3.037 1.00 0.24 C ATOM 110 CG GLN A 8 12.923 5.053 -2.204 1.00 0.35 C ATOM 111 CD GLN A 8 12.671 6.413 -2.854 1.00 0.30 C ATOM 112 OE1 GLN A 8 12.535 6.509 -4.059 1.00 0.07 O ATOM 113 NE2 GLN A 8 12.602 7.478 -2.105 1.00 0.56 N ATOM 0 HA GLN A 8 12.719 2.589 -1.444 1.00 0.32 H new ATOM 0 HB2 GLN A 8 12.509 4.074 -4.089 1.00 0.24 H new ATOM 0 HB3 GLN A 8 11.163 4.050 -2.966 1.00 0.24 H new ATOM 0 HG2 GLN A 8 12.531 5.046 -1.187 1.00 0.35 H new ATOM 0 HG3 GLN A 8 13.994 4.864 -2.135 1.00 0.35 H new ATOM 0 HE21 GLN A 8 12.716 7.399 -1.094 1.00 0.56 H new ATOM 0 HE22 GLN A 8 12.434 8.390 -2.530 1.00 0.56 H new ATOM 122 N ILE A 9 11.841 1.051 -4.226 1.00 0.36 N ATOM 123 CA ILE A 9 10.911 0.001 -4.733 1.00 0.42 C ATOM 124 C ILE A 9 11.202 -1.312 -4.004 1.00 0.48 C ATOM 125 O ILE A 9 10.305 -2.061 -3.670 1.00 0.55 O ATOM 126 CB ILE A 9 11.114 -0.191 -6.242 1.00 0.43 C ATOM 127 CG1 ILE A 9 10.655 1.070 -6.980 1.00 0.38 C ATOM 128 CG2 ILE A 9 10.294 -1.392 -6.723 1.00 0.53 C ATOM 129 CD1 ILE A 9 11.070 0.986 -8.451 1.00 0.40 C ATOM 0 H ILE A 9 12.554 1.358 -4.887 1.00 0.36 H new ATOM 0 HA ILE A 9 9.880 0.305 -4.551 1.00 0.42 H new ATOM 0 HB ILE A 9 12.170 -0.370 -6.446 1.00 0.43 H new ATOM 0 HG12 ILE A 9 9.573 1.175 -6.903 1.00 0.38 H new ATOM 0 HG13 ILE A 9 11.095 1.954 -6.518 1.00 0.38 H new ATOM 0 HG21 ILE A 9 10.440 -1.526 -7.795 1.00 0.53 H new ATOM 0 HG22 ILE A 9 10.620 -2.289 -6.197 1.00 0.53 H new ATOM 0 HG23 ILE A 9 9.238 -1.216 -6.520 1.00 0.53 H new ATOM 0 HD11 ILE A 9 10.742 1.885 -8.973 1.00 0.40 H new ATOM 0 HD12 ILE A 9 12.155 0.902 -8.519 1.00 0.40 H new ATOM 0 HD13 ILE A 9 10.609 0.111 -8.910 1.00 0.40 H new ATOM 141 N ALA A 10 12.451 -1.599 -3.758 1.00 0.46 N ATOM 142 CA ALA A 10 12.798 -2.861 -3.053 1.00 0.53 C ATOM 143 C ALA A 10 12.360 -2.776 -1.593 1.00 0.55 C ATOM 144 O ALA A 10 12.101 -3.776 -0.963 1.00 0.83 O ATOM 145 CB ALA A 10 14.312 -3.082 -3.124 1.00 0.55 C ATOM 0 H ALA A 10 13.245 -1.013 -4.016 1.00 0.46 H new ATOM 0 HA ALA A 10 12.284 -3.695 -3.531 1.00 0.53 H new ATOM 0 HB1 ALA A 10 14.569 -4.007 -2.608 1.00 0.55 H new ATOM 0 HB2 ALA A 10 14.621 -3.151 -4.167 1.00 0.55 H new ATOM 0 HB3 ALA A 10 14.824 -2.246 -2.648 1.00 0.55 H new ATOM 151 N GLU A 11 12.266 -1.599 -1.044 1.00 0.32 N ATOM 152 CA GLU A 11 11.836 -1.480 0.366 1.00 0.32 C ATOM 153 C GLU A 11 10.313 -1.678 0.427 1.00 0.31 C ATOM 154 O GLU A 11 9.807 -2.383 1.278 1.00 0.35 O ATOM 155 CB GLU A 11 12.273 -0.088 0.883 1.00 0.34 C ATOM 156 CG GLU A 11 11.201 0.541 1.764 1.00 1.24 C ATOM 157 CD GLU A 11 11.775 1.764 2.481 1.00 1.12 C ATOM 158 OE1 GLU A 11 12.668 2.383 1.931 1.00 1.27 O ATOM 159 OE2 GLU A 11 11.308 2.061 3.569 1.00 1.93 O ATOM 0 H GLU A 11 12.469 -0.717 -1.514 1.00 0.32 H new ATOM 0 HA GLU A 11 12.294 -2.237 1.002 1.00 0.32 H new ATOM 0 HB2 GLU A 11 13.200 -0.183 1.448 1.00 0.34 H new ATOM 0 HB3 GLU A 11 12.481 0.567 0.037 1.00 0.34 H new ATOM 0 HG2 GLU A 11 10.343 0.832 1.158 1.00 1.24 H new ATOM 0 HG3 GLU A 11 10.844 -0.186 2.494 1.00 1.24 H new ATOM 166 N PHE A 12 9.578 -1.079 -0.473 1.00 0.27 N ATOM 167 CA PHE A 12 8.101 -1.261 -0.454 1.00 0.27 C ATOM 168 C PHE A 12 7.771 -2.706 -0.843 1.00 0.27 C ATOM 169 O PHE A 12 6.827 -3.289 -0.349 1.00 0.30 O ATOM 170 CB PHE A 12 7.433 -0.311 -1.461 1.00 0.24 C ATOM 171 CG PHE A 12 7.996 1.098 -1.368 1.00 0.24 C ATOM 172 CD1 PHE A 12 8.273 1.689 -0.124 1.00 0.41 C ATOM 173 CD2 PHE A 12 8.222 1.830 -2.546 1.00 0.49 C ATOM 174 CE1 PHE A 12 8.773 2.996 -0.064 1.00 0.38 C ATOM 175 CE2 PHE A 12 8.722 3.132 -2.480 1.00 0.61 C ATOM 176 CZ PHE A 12 8.998 3.717 -1.242 1.00 0.41 C ATOM 0 H PHE A 12 9.935 -0.476 -1.214 1.00 0.27 H new ATOM 0 HA PHE A 12 7.729 -1.041 0.547 1.00 0.27 H new ATOM 0 HB2 PHE A 12 7.576 -0.694 -2.472 1.00 0.24 H new ATOM 0 HB3 PHE A 12 6.359 -0.286 -1.279 1.00 0.24 H new ATOM 0 HD1 PHE A 12 8.100 1.135 0.787 1.00 0.41 H new ATOM 0 HD2 PHE A 12 8.008 1.384 -3.506 1.00 0.49 H new ATOM 0 HE1 PHE A 12 8.985 3.448 0.893 1.00 0.38 H new ATOM 0 HE2 PHE A 12 8.896 3.689 -3.389 1.00 0.61 H new ATOM 0 HZ PHE A 12 9.384 4.724 -1.194 1.00 0.41 H new ATOM 186 N LYS A 13 8.535 -3.287 -1.729 1.00 0.25 N ATOM 187 CA LYS A 13 8.246 -4.688 -2.142 1.00 0.25 C ATOM 188 C LYS A 13 8.360 -5.613 -0.929 1.00 0.27 C ATOM 189 O LYS A 13 7.523 -6.466 -0.712 1.00 0.27 O ATOM 190 CB LYS A 13 9.237 -5.120 -3.229 1.00 0.26 C ATOM 191 CG LYS A 13 9.024 -6.614 -3.586 1.00 0.30 C ATOM 192 CD LYS A 13 9.202 -6.832 -5.104 1.00 0.27 C ATOM 193 CE LYS A 13 7.893 -6.514 -5.844 1.00 0.35 C ATOM 194 NZ LYS A 13 7.033 -7.732 -5.868 1.00 1.78 N ATOM 0 H LYS A 13 9.341 -2.855 -2.181 1.00 0.25 H new ATOM 0 HA LYS A 13 7.234 -4.748 -2.542 1.00 0.25 H new ATOM 0 HB2 LYS A 13 9.104 -4.504 -4.118 1.00 0.26 H new ATOM 0 HB3 LYS A 13 10.259 -4.964 -2.883 1.00 0.26 H new ATOM 0 HG2 LYS A 13 9.735 -7.231 -3.037 1.00 0.30 H new ATOM 0 HG3 LYS A 13 8.026 -6.929 -3.281 1.00 0.30 H new ATOM 0 HD2 LYS A 13 10.004 -6.195 -5.478 1.00 0.27 H new ATOM 0 HD3 LYS A 13 9.497 -7.863 -5.298 1.00 0.27 H new ATOM 0 HE2 LYS A 13 7.371 -5.696 -5.348 1.00 0.35 H new ATOM 0 HE3 LYS A 13 8.107 -6.186 -6.861 1.00 0.35 H new ATOM 0 HZ1 LYS A 13 6.146 -7.521 -6.368 1.00 1.78 H new ATOM 0 HZ2 LYS A 13 7.533 -8.500 -6.359 1.00 1.78 H new ATOM 0 HZ3 LYS A 13 6.820 -8.025 -4.893 1.00 1.78 H new ATOM 208 N GLU A 14 9.379 -5.450 -0.130 1.00 0.27 N ATOM 209 CA GLU A 14 9.516 -6.324 1.074 1.00 0.29 C ATOM 210 C GLU A 14 8.310 -6.107 1.972 1.00 0.25 C ATOM 211 O GLU A 14 7.655 -7.035 2.404 1.00 0.23 O ATOM 212 CB GLU A 14 10.778 -5.938 1.852 1.00 0.37 C ATOM 213 CG GLU A 14 12.014 -6.039 0.942 1.00 0.36 C ATOM 214 CD GLU A 14 12.652 -7.429 1.057 1.00 0.79 C ATOM 215 OE1 GLU A 14 12.079 -8.366 0.526 1.00 1.95 O ATOM 216 OE2 GLU A 14 13.699 -7.529 1.673 1.00 0.81 O ATOM 0 H GLU A 14 10.117 -4.757 -0.255 1.00 0.27 H new ATOM 0 HA GLU A 14 9.582 -7.366 0.762 1.00 0.29 H new ATOM 0 HB2 GLU A 14 10.681 -4.922 2.235 1.00 0.37 H new ATOM 0 HB3 GLU A 14 10.897 -6.594 2.714 1.00 0.37 H new ATOM 0 HG2 GLU A 14 11.728 -5.848 -0.092 1.00 0.36 H new ATOM 0 HG3 GLU A 14 12.740 -5.275 1.219 1.00 0.36 H new ATOM 223 N ALA A 15 8.024 -4.873 2.260 1.00 0.26 N ATOM 224 CA ALA A 15 6.863 -4.562 3.142 1.00 0.24 C ATOM 225 C ALA A 15 5.574 -5.090 2.508 1.00 0.20 C ATOM 226 O ALA A 15 4.642 -5.460 3.191 1.00 0.18 O ATOM 227 CB ALA A 15 6.760 -3.047 3.335 1.00 0.24 C ATOM 0 H ALA A 15 8.543 -4.062 1.924 1.00 0.26 H new ATOM 0 HA ALA A 15 7.007 -5.042 4.110 1.00 0.24 H new ATOM 0 HB1 ALA A 15 5.911 -2.819 3.980 1.00 0.24 H new ATOM 0 HB2 ALA A 15 7.676 -2.676 3.796 1.00 0.24 H new ATOM 0 HB3 ALA A 15 6.620 -2.566 2.367 1.00 0.24 H new ATOM 233 N PHE A 16 5.513 -5.118 1.208 1.00 0.20 N ATOM 234 CA PHE A 16 4.280 -5.612 0.525 1.00 0.16 C ATOM 235 C PHE A 16 4.210 -7.137 0.599 1.00 0.15 C ATOM 236 O PHE A 16 3.164 -7.709 0.833 1.00 0.11 O ATOM 237 CB PHE A 16 4.319 -5.175 -0.937 1.00 0.17 C ATOM 238 CG PHE A 16 2.956 -5.342 -1.564 1.00 0.18 C ATOM 239 CD1 PHE A 16 2.013 -4.309 -1.477 1.00 0.19 C ATOM 240 CD2 PHE A 16 2.641 -6.521 -2.252 1.00 0.18 C ATOM 241 CE1 PHE A 16 0.757 -4.457 -2.074 1.00 0.19 C ATOM 242 CE2 PHE A 16 1.386 -6.666 -2.852 1.00 0.20 C ATOM 243 CZ PHE A 16 0.445 -5.633 -2.762 1.00 0.20 C ATOM 0 H PHE A 16 6.263 -4.820 0.585 1.00 0.20 H new ATOM 0 HA PHE A 16 3.401 -5.197 1.018 1.00 0.16 H new ATOM 0 HB2 PHE A 16 4.634 -4.134 -1.005 1.00 0.17 H new ATOM 0 HB3 PHE A 16 5.054 -5.767 -1.482 1.00 0.17 H new ATOM 0 HD1 PHE A 16 2.256 -3.399 -0.949 1.00 0.19 H new ATOM 0 HD2 PHE A 16 3.367 -7.318 -2.319 1.00 0.18 H new ATOM 0 HE1 PHE A 16 0.028 -3.663 -2.003 1.00 0.19 H new ATOM 0 HE2 PHE A 16 1.143 -7.574 -3.384 1.00 0.20 H new ATOM 0 HZ PHE A 16 -0.524 -5.745 -3.225 1.00 0.20 H new ATOM 253 N SER A 17 5.309 -7.802 0.392 1.00 0.19 N ATOM 254 CA SER A 17 5.303 -9.291 0.437 1.00 0.18 C ATOM 255 C SER A 17 5.015 -9.779 1.860 1.00 0.17 C ATOM 256 O SER A 17 4.407 -10.811 2.059 1.00 0.22 O ATOM 257 CB SER A 17 6.669 -9.812 0.000 1.00 0.29 C ATOM 258 OG SER A 17 7.635 -9.480 0.989 1.00 1.28 O ATOM 0 H SER A 17 6.215 -7.379 0.193 1.00 0.19 H new ATOM 0 HA SER A 17 4.526 -9.662 -0.232 1.00 0.18 H new ATOM 0 HB2 SER A 17 6.631 -10.892 -0.140 1.00 0.29 H new ATOM 0 HB3 SER A 17 6.948 -9.375 -0.959 1.00 0.29 H new ATOM 0 HG SER A 17 7.466 -8.573 1.320 1.00 1.28 H new ATOM 264 N LEU A 18 5.462 -9.057 2.849 1.00 0.15 N ATOM 265 CA LEU A 18 5.228 -9.497 4.256 1.00 0.17 C ATOM 266 C LEU A 18 3.762 -9.904 4.449 1.00 0.12 C ATOM 267 O LEU A 18 3.445 -10.662 5.343 1.00 0.15 O ATOM 268 CB LEU A 18 5.568 -8.347 5.224 1.00 0.27 C ATOM 269 CG LEU A 18 7.079 -8.316 5.537 1.00 0.30 C ATOM 270 CD1 LEU A 18 7.399 -7.074 6.392 1.00 0.41 C ATOM 271 CD2 LEU A 18 7.501 -9.594 6.305 1.00 0.20 C ATOM 0 H LEU A 18 5.978 -8.183 2.746 1.00 0.15 H new ATOM 0 HA LEU A 18 5.868 -10.355 4.465 1.00 0.17 H new ATOM 0 HB2 LEU A 18 5.264 -7.396 4.786 1.00 0.27 H new ATOM 0 HB3 LEU A 18 5.004 -8.467 6.149 1.00 0.27 H new ATOM 0 HG LEU A 18 7.632 -8.273 4.598 1.00 0.30 H new ATOM 0 HD11 LEU A 18 8.466 -7.050 6.614 1.00 0.41 H new ATOM 0 HD12 LEU A 18 7.122 -6.174 5.843 1.00 0.41 H new ATOM 0 HD13 LEU A 18 6.835 -7.119 7.324 1.00 0.41 H new ATOM 0 HD21 LEU A 18 8.569 -9.555 6.517 1.00 0.20 H new ATOM 0 HD22 LEU A 18 6.947 -9.655 7.242 1.00 0.20 H new ATOM 0 HD23 LEU A 18 7.284 -10.472 5.697 1.00 0.20 H new ATOM 283 N PHE A 19 2.861 -9.389 3.642 1.00 0.10 N ATOM 284 CA PHE A 19 1.408 -9.733 3.809 1.00 0.13 C ATOM 285 C PHE A 19 0.825 -10.300 2.509 1.00 0.13 C ATOM 286 O PHE A 19 -0.362 -10.220 2.267 1.00 0.20 O ATOM 287 CB PHE A 19 0.656 -8.468 4.204 1.00 0.18 C ATOM 288 CG PHE A 19 1.316 -7.891 5.432 1.00 0.20 C ATOM 289 CD1 PHE A 19 2.447 -7.077 5.301 1.00 0.20 C ATOM 290 CD2 PHE A 19 0.804 -8.184 6.699 1.00 0.28 C ATOM 291 CE1 PHE A 19 3.066 -6.553 6.443 1.00 0.22 C ATOM 292 CE2 PHE A 19 1.421 -7.659 7.840 1.00 0.31 C ATOM 293 CZ PHE A 19 2.553 -6.844 7.713 1.00 0.27 C ATOM 0 H PHE A 19 3.068 -8.747 2.877 1.00 0.10 H new ATOM 0 HA PHE A 19 1.305 -10.495 4.582 1.00 0.13 H new ATOM 0 HB2 PHE A 19 0.673 -7.745 3.388 1.00 0.18 H new ATOM 0 HB3 PHE A 19 -0.391 -8.696 4.406 1.00 0.18 H new ATOM 0 HD1 PHE A 19 2.842 -6.853 4.321 1.00 0.20 H new ATOM 0 HD2 PHE A 19 -0.067 -8.815 6.797 1.00 0.28 H new ATOM 0 HE1 PHE A 19 3.939 -5.925 6.344 1.00 0.22 H new ATOM 0 HE2 PHE A 19 1.024 -7.882 8.819 1.00 0.31 H new ATOM 0 HZ PHE A 19 3.030 -6.440 8.594 1.00 0.27 H new ATOM 303 N ASP A 20 1.648 -10.894 1.684 1.00 0.11 N ATOM 304 CA ASP A 20 1.142 -11.495 0.408 1.00 0.19 C ATOM 305 C ASP A 20 0.988 -13.010 0.607 1.00 0.27 C ATOM 306 O ASP A 20 1.745 -13.797 0.078 1.00 0.25 O ATOM 307 CB ASP A 20 2.144 -11.232 -0.721 1.00 0.18 C ATOM 308 CG ASP A 20 1.585 -11.781 -2.034 1.00 0.36 C ATOM 309 OD1 ASP A 20 1.468 -12.989 -2.147 1.00 0.59 O ATOM 310 OD2 ASP A 20 1.284 -10.982 -2.906 1.00 1.44 O ATOM 0 H ASP A 20 2.652 -10.990 1.837 1.00 0.11 H new ATOM 0 HA ASP A 20 0.183 -11.050 0.145 1.00 0.19 H new ATOM 0 HB2 ASP A 20 2.333 -10.162 -0.812 1.00 0.18 H new ATOM 0 HB3 ASP A 20 3.099 -11.706 -0.493 1.00 0.18 H new ATOM 315 N LYS A 21 0.023 -13.414 1.393 1.00 0.37 N ATOM 316 CA LYS A 21 -0.174 -14.871 1.664 1.00 0.48 C ATOM 317 C LYS A 21 -0.823 -15.572 0.475 1.00 0.55 C ATOM 318 O LYS A 21 -1.068 -16.762 0.502 1.00 0.63 O ATOM 319 CB LYS A 21 -1.082 -15.035 2.881 1.00 0.57 C ATOM 320 CG LYS A 21 -0.458 -14.344 4.102 1.00 0.53 C ATOM 321 CD LYS A 21 0.644 -15.223 4.710 1.00 0.58 C ATOM 322 CE LYS A 21 1.037 -14.671 6.081 1.00 0.62 C ATOM 323 NZ LYS A 21 -0.118 -14.795 7.014 1.00 1.91 N ATOM 0 H LYS A 21 -0.640 -12.795 1.861 1.00 0.37 H new ATOM 0 HA LYS A 21 0.803 -15.319 1.844 1.00 0.48 H new ATOM 0 HB2 LYS A 21 -2.063 -14.607 2.673 1.00 0.57 H new ATOM 0 HB3 LYS A 21 -1.234 -16.094 3.091 1.00 0.57 H new ATOM 0 HG2 LYS A 21 -0.043 -13.380 3.809 1.00 0.53 H new ATOM 0 HG3 LYS A 21 -1.227 -14.146 4.848 1.00 0.53 H new ATOM 0 HD2 LYS A 21 0.293 -16.250 4.807 1.00 0.58 H new ATOM 0 HD3 LYS A 21 1.512 -15.244 4.052 1.00 0.58 H new ATOM 0 HE2 LYS A 21 1.895 -15.217 6.473 1.00 0.62 H new ATOM 0 HE3 LYS A 21 1.337 -13.627 5.993 1.00 0.62 H new ATOM 0 HZ1 LYS A 21 0.232 -14.885 7.989 1.00 1.91 H new ATOM 0 HZ2 LYS A 21 -0.718 -13.949 6.938 1.00 1.91 H new ATOM 0 HZ3 LYS A 21 -0.675 -15.638 6.767 1.00 1.91 H new ATOM 337 N ASP A 22 -1.114 -14.847 -0.559 1.00 0.54 N ATOM 338 CA ASP A 22 -1.763 -15.460 -1.762 1.00 0.63 C ATOM 339 C ASP A 22 -0.711 -15.734 -2.840 1.00 0.59 C ATOM 340 O ASP A 22 -1.023 -16.202 -3.916 1.00 0.65 O ATOM 341 CB ASP A 22 -2.811 -14.494 -2.315 1.00 0.69 C ATOM 342 CG ASP A 22 -3.971 -14.378 -1.326 1.00 0.74 C ATOM 343 OD1 ASP A 22 -4.471 -15.410 -0.908 1.00 1.14 O ATOM 344 OD2 ASP A 22 -4.342 -13.262 -1.003 1.00 1.19 O ATOM 0 H ASP A 22 -0.932 -13.846 -0.632 1.00 0.54 H new ATOM 0 HA ASP A 22 -2.237 -16.399 -1.476 1.00 0.63 H new ATOM 0 HB2 ASP A 22 -2.364 -13.514 -2.484 1.00 0.69 H new ATOM 0 HB3 ASP A 22 -3.175 -14.849 -3.279 1.00 0.69 H new ATOM 349 N GLY A 23 0.533 -15.450 -2.563 1.00 0.50 N ATOM 350 CA GLY A 23 1.600 -15.700 -3.575 1.00 0.47 C ATOM 351 C GLY A 23 1.162 -15.125 -4.921 1.00 0.52 C ATOM 352 O GLY A 23 1.715 -15.440 -5.956 1.00 0.57 O ATOM 0 H GLY A 23 0.857 -15.056 -1.680 1.00 0.50 H new ATOM 0 HA2 GLY A 23 2.535 -15.239 -3.256 1.00 0.47 H new ATOM 0 HA3 GLY A 23 1.787 -16.770 -3.667 1.00 0.47 H new ATOM 356 N ASP A 24 0.163 -14.283 -4.910 1.00 0.53 N ATOM 357 CA ASP A 24 -0.335 -13.677 -6.182 1.00 0.59 C ATOM 358 C ASP A 24 0.236 -12.266 -6.332 1.00 0.53 C ATOM 359 O ASP A 24 -0.057 -11.565 -7.281 1.00 0.56 O ATOM 360 CB ASP A 24 -1.863 -13.604 -6.144 1.00 0.66 C ATOM 361 CG ASP A 24 -2.394 -13.294 -7.544 1.00 0.73 C ATOM 362 OD1 ASP A 24 -2.553 -14.228 -8.315 1.00 1.23 O ATOM 363 OD2 ASP A 24 -2.634 -12.130 -7.822 1.00 1.36 O ATOM 0 H ASP A 24 -0.333 -13.986 -4.070 1.00 0.53 H new ATOM 0 HA ASP A 24 -0.018 -14.290 -7.026 1.00 0.59 H new ATOM 0 HB2 ASP A 24 -2.274 -14.549 -5.789 1.00 0.66 H new ATOM 0 HB3 ASP A 24 -2.184 -12.833 -5.443 1.00 0.66 H new ATOM 368 N GLY A 25 1.050 -11.844 -5.405 1.00 0.45 N ATOM 369 CA GLY A 25 1.637 -10.479 -5.503 1.00 0.40 C ATOM 370 C GLY A 25 0.581 -9.434 -5.120 1.00 0.34 C ATOM 371 O GLY A 25 0.609 -8.317 -5.601 1.00 0.35 O ATOM 0 H GLY A 25 1.333 -12.383 -4.587 1.00 0.45 H new ATOM 0 HA2 GLY A 25 2.501 -10.396 -4.844 1.00 0.40 H new ATOM 0 HA3 GLY A 25 1.992 -10.297 -6.517 1.00 0.40 H new ATOM 375 N THR A 26 -0.361 -9.778 -4.263 1.00 0.31 N ATOM 376 CA THR A 26 -1.415 -8.794 -3.863 1.00 0.25 C ATOM 377 C THR A 26 -1.703 -8.914 -2.365 1.00 0.19 C ATOM 378 O THR A 26 -1.309 -9.861 -1.716 1.00 0.21 O ATOM 379 CB THR A 26 -2.702 -9.069 -4.643 1.00 0.30 C ATOM 380 OG1 THR A 26 -3.247 -10.314 -4.229 1.00 0.32 O ATOM 381 CG2 THR A 26 -2.400 -9.112 -6.143 1.00 0.34 C ATOM 0 H THR A 26 -0.441 -10.697 -3.827 1.00 0.31 H new ATOM 0 HA THR A 26 -1.058 -7.788 -4.085 1.00 0.25 H new ATOM 0 HB THR A 26 -3.421 -8.274 -4.447 1.00 0.30 H new ATOM 0 HG1 THR A 26 -4.073 -10.491 -4.726 1.00 0.32 H new ATOM 0 HG21 THR A 26 -3.320 -9.308 -6.694 1.00 0.34 H new ATOM 0 HG22 THR A 26 -1.985 -8.155 -6.458 1.00 0.34 H new ATOM 0 HG23 THR A 26 -1.679 -9.904 -6.346 1.00 0.34 H new ATOM 389 N ILE A 27 -2.401 -7.952 -1.817 1.00 0.15 N ATOM 390 CA ILE A 27 -2.741 -7.981 -0.362 1.00 0.11 C ATOM 391 C ILE A 27 -4.177 -7.479 -0.187 1.00 0.11 C ATOM 392 O ILE A 27 -4.744 -6.886 -1.081 1.00 0.11 O ATOM 393 CB ILE A 27 -1.781 -7.071 0.415 1.00 0.06 C ATOM 394 CG1 ILE A 27 -1.877 -5.635 -0.128 1.00 0.03 C ATOM 395 CG2 ILE A 27 -0.348 -7.585 0.256 1.00 0.06 C ATOM 396 CD1 ILE A 27 -0.925 -4.719 0.647 1.00 0.03 C ATOM 0 H ILE A 27 -2.754 -7.139 -2.321 1.00 0.15 H new ATOM 0 HA ILE A 27 -2.650 -8.998 0.020 1.00 0.11 H new ATOM 0 HB ILE A 27 -2.053 -7.076 1.471 1.00 0.06 H new ATOM 0 HG12 ILE A 27 -1.626 -5.621 -1.189 1.00 0.03 H new ATOM 0 HG13 ILE A 27 -2.900 -5.270 -0.037 1.00 0.03 H new ATOM 0 HG21 ILE A 27 0.334 -6.938 0.808 1.00 0.06 H new ATOM 0 HG22 ILE A 27 -0.280 -8.601 0.646 1.00 0.06 H new ATOM 0 HG23 ILE A 27 -0.076 -7.583 -0.799 1.00 0.06 H new ATOM 0 HD11 ILE A 27 -0.999 -3.704 0.257 1.00 0.03 H new ATOM 0 HD12 ILE A 27 -1.196 -4.722 1.703 1.00 0.03 H new ATOM 0 HD13 ILE A 27 0.098 -5.078 0.534 1.00 0.03 H new ATOM 408 N THR A 28 -4.772 -7.701 0.954 1.00 0.13 N ATOM 409 CA THR A 28 -6.169 -7.222 1.163 1.00 0.14 C ATOM 410 C THR A 28 -6.157 -5.800 1.712 1.00 0.11 C ATOM 411 O THR A 28 -5.139 -5.293 2.144 1.00 0.11 O ATOM 412 CB THR A 28 -6.882 -8.115 2.173 1.00 0.18 C ATOM 413 OG1 THR A 28 -6.586 -7.669 3.492 1.00 0.19 O ATOM 414 CG2 THR A 28 -6.414 -9.558 2.011 1.00 0.21 C ATOM 0 H THR A 28 -4.355 -8.190 1.746 1.00 0.13 H new ATOM 0 HA THR A 28 -6.687 -7.250 0.204 1.00 0.14 H new ATOM 0 HB THR A 28 -7.957 -8.064 2.000 1.00 0.18 H new ATOM 0 HG1 THR A 28 -6.762 -8.392 4.129 1.00 0.19 H new ATOM 0 HG21 THR A 28 -6.927 -10.190 2.735 1.00 0.21 H new ATOM 0 HG22 THR A 28 -6.641 -9.903 1.002 1.00 0.21 H new ATOM 0 HG23 THR A 28 -5.338 -9.613 2.179 1.00 0.21 H new ATOM 422 N THR A 29 -7.291 -5.163 1.719 1.00 0.10 N ATOM 423 CA THR A 29 -7.371 -3.783 2.260 1.00 0.11 C ATOM 424 C THR A 29 -7.171 -3.831 3.779 1.00 0.15 C ATOM 425 O THR A 29 -6.677 -2.898 4.381 1.00 0.16 O ATOM 426 CB THR A 29 -8.757 -3.206 1.947 1.00 0.13 C ATOM 427 OG1 THR A 29 -9.735 -4.219 2.138 1.00 0.15 O ATOM 428 CG2 THR A 29 -8.812 -2.712 0.499 1.00 0.10 C ATOM 0 H THR A 29 -8.171 -5.542 1.371 1.00 0.10 H new ATOM 0 HA THR A 29 -6.601 -3.157 1.808 1.00 0.11 H new ATOM 0 HB THR A 29 -8.954 -2.366 2.613 1.00 0.13 H new ATOM 0 HG1 THR A 29 -10.624 -3.857 1.941 1.00 0.15 H new ATOM 0 HG21 THR A 29 -9.802 -2.305 0.291 1.00 0.10 H new ATOM 0 HG22 THR A 29 -8.062 -1.935 0.351 1.00 0.10 H new ATOM 0 HG23 THR A 29 -8.612 -3.543 -0.177 1.00 0.10 H new ATOM 436 N LYS A 30 -7.559 -4.913 4.402 1.00 0.18 N ATOM 437 CA LYS A 30 -7.403 -5.021 5.879 1.00 0.22 C ATOM 438 C LYS A 30 -5.921 -4.966 6.250 1.00 0.22 C ATOM 439 O LYS A 30 -5.563 -4.566 7.342 1.00 0.23 O ATOM 440 CB LYS A 30 -8.003 -6.349 6.360 1.00 0.25 C ATOM 441 CG LYS A 30 -9.522 -6.377 6.097 1.00 0.30 C ATOM 442 CD LYS A 30 -10.276 -5.734 7.268 1.00 1.39 C ATOM 443 CE LYS A 30 -11.763 -5.631 6.926 1.00 1.65 C ATOM 444 NZ LYS A 30 -12.288 -6.980 6.573 1.00 0.97 N ATOM 0 H LYS A 30 -7.977 -5.726 3.950 1.00 0.18 H new ATOM 0 HA LYS A 30 -7.923 -4.191 6.357 1.00 0.22 H new ATOM 0 HB2 LYS A 30 -7.523 -7.181 5.845 1.00 0.25 H new ATOM 0 HB3 LYS A 30 -7.809 -6.479 7.425 1.00 0.25 H new ATOM 0 HG2 LYS A 30 -9.748 -5.844 5.173 1.00 0.30 H new ATOM 0 HG3 LYS A 30 -9.856 -7.406 5.961 1.00 0.30 H new ATOM 0 HD2 LYS A 30 -10.141 -6.329 8.171 1.00 1.39 H new ATOM 0 HD3 LYS A 30 -9.871 -4.744 7.475 1.00 1.39 H new ATOM 0 HE2 LYS A 30 -12.315 -5.225 7.774 1.00 1.65 H new ATOM 0 HE3 LYS A 30 -11.908 -4.943 6.093 1.00 1.65 H new ATOM 0 HZ1 LYS A 30 -13.325 -6.981 6.655 1.00 0.97 H new ATOM 0 HZ2 LYS A 30 -12.018 -7.213 5.596 1.00 0.97 H new ATOM 0 HZ3 LYS A 30 -11.889 -7.688 7.221 1.00 0.97 H new ATOM 458 N GLU A 31 -5.056 -5.364 5.357 1.00 0.19 N ATOM 459 CA GLU A 31 -3.588 -5.338 5.665 1.00 0.19 C ATOM 460 C GLU A 31 -2.947 -4.099 5.036 1.00 0.16 C ATOM 461 O GLU A 31 -1.741 -3.987 4.970 1.00 0.20 O ATOM 462 CB GLU A 31 -2.918 -6.587 5.089 1.00 0.20 C ATOM 463 CG GLU A 31 -3.648 -7.839 5.578 1.00 0.25 C ATOM 464 CD GLU A 31 -3.096 -9.066 4.853 1.00 0.24 C ATOM 465 OE1 GLU A 31 -3.473 -9.278 3.712 1.00 0.46 O ATOM 466 OE2 GLU A 31 -2.303 -9.776 5.450 1.00 0.58 O ATOM 0 H GLU A 31 -5.297 -5.707 4.427 1.00 0.19 H new ATOM 0 HA GLU A 31 -3.455 -5.312 6.747 1.00 0.19 H new ATOM 0 HB2 GLU A 31 -2.932 -6.549 4.000 1.00 0.20 H new ATOM 0 HB3 GLU A 31 -1.872 -6.623 5.393 1.00 0.20 H new ATOM 0 HG2 GLU A 31 -3.519 -7.951 6.655 1.00 0.25 H new ATOM 0 HG3 GLU A 31 -4.718 -7.745 5.393 1.00 0.25 H new ATOM 473 N LEU A 32 -3.733 -3.171 4.573 1.00 0.12 N ATOM 474 CA LEU A 32 -3.145 -1.952 3.954 1.00 0.12 C ATOM 475 C LEU A 32 -2.506 -1.085 5.041 1.00 0.14 C ATOM 476 O LEU A 32 -1.370 -0.666 4.925 1.00 0.13 O ATOM 477 CB LEU A 32 -4.248 -1.165 3.234 1.00 0.16 C ATOM 478 CG LEU A 32 -3.709 0.186 2.738 1.00 0.20 C ATOM 479 CD1 LEU A 32 -2.444 -0.023 1.898 1.00 0.18 C ATOM 480 CD2 LEU A 32 -4.783 0.870 1.885 1.00 0.24 C ATOM 0 H LEU A 32 -4.752 -3.202 4.596 1.00 0.12 H new ATOM 0 HA LEU A 32 -2.380 -2.238 3.232 1.00 0.12 H new ATOM 0 HB2 LEU A 32 -4.625 -1.744 2.391 1.00 0.16 H new ATOM 0 HB3 LEU A 32 -5.087 -1.002 3.910 1.00 0.16 H new ATOM 0 HG LEU A 32 -3.461 0.811 3.596 1.00 0.20 H new ATOM 0 HD11 LEU A 32 -2.073 0.942 1.553 1.00 0.18 H new ATOM 0 HD12 LEU A 32 -1.681 -0.510 2.505 1.00 0.18 H new ATOM 0 HD13 LEU A 32 -2.678 -0.650 1.038 1.00 0.18 H new ATOM 0 HD21 LEU A 32 -4.408 1.830 1.529 1.00 0.24 H new ATOM 0 HD22 LEU A 32 -5.028 0.237 1.032 1.00 0.24 H new ATOM 0 HD23 LEU A 32 -5.678 1.030 2.486 1.00 0.24 H new ATOM 492 N GLY A 33 -3.221 -0.807 6.097 1.00 0.18 N ATOM 493 CA GLY A 33 -2.643 0.033 7.182 1.00 0.21 C ATOM 494 C GLY A 33 -1.477 -0.709 7.836 1.00 0.20 C ATOM 495 O GLY A 33 -0.612 -0.110 8.444 1.00 0.25 O ATOM 0 H GLY A 33 -4.177 -1.125 6.254 1.00 0.18 H new ATOM 0 HA2 GLY A 33 -2.300 0.985 6.776 1.00 0.21 H new ATOM 0 HA3 GLY A 33 -3.406 0.260 7.926 1.00 0.21 H new ATOM 499 N THR A 34 -1.447 -2.009 7.722 1.00 0.16 N ATOM 500 CA THR A 34 -0.334 -2.779 8.345 1.00 0.16 C ATOM 501 C THR A 34 0.950 -2.573 7.539 1.00 0.09 C ATOM 502 O THR A 34 2.018 -2.405 8.096 1.00 0.10 O ATOM 503 CB THR A 34 -0.700 -4.269 8.374 1.00 0.21 C ATOM 504 OG1 THR A 34 -2.066 -4.410 8.735 1.00 0.28 O ATOM 505 CG2 THR A 34 0.173 -5.000 9.398 1.00 0.23 C ATOM 0 H THR A 34 -2.141 -2.568 7.227 1.00 0.16 H new ATOM 0 HA THR A 34 -0.173 -2.427 9.364 1.00 0.16 H new ATOM 0 HB THR A 34 -0.532 -4.700 7.387 1.00 0.21 H new ATOM 0 HG1 THR A 34 -2.303 -5.361 8.753 1.00 0.28 H new ATOM 0 HG21 THR A 34 -0.092 -6.057 9.413 1.00 0.23 H new ATOM 0 HG22 THR A 34 1.222 -4.893 9.124 1.00 0.23 H new ATOM 0 HG23 THR A 34 0.011 -4.571 10.387 1.00 0.23 H new ATOM 513 N VAL A 35 0.860 -2.579 6.240 1.00 0.03 N ATOM 514 CA VAL A 35 2.085 -2.373 5.416 1.00 0.05 C ATOM 515 C VAL A 35 2.586 -0.945 5.626 1.00 0.09 C ATOM 516 O VAL A 35 3.750 -0.715 5.901 1.00 0.14 O ATOM 517 CB VAL A 35 1.758 -2.588 3.936 1.00 0.11 C ATOM 518 CG1 VAL A 35 3.012 -2.353 3.096 1.00 0.15 C ATOM 519 CG2 VAL A 35 1.272 -4.023 3.726 1.00 0.13 C ATOM 0 H VAL A 35 -0.003 -2.717 5.714 1.00 0.03 H new ATOM 0 HA VAL A 35 2.853 -3.085 5.716 1.00 0.05 H new ATOM 0 HB VAL A 35 0.979 -1.888 3.632 1.00 0.11 H new ATOM 0 HG11 VAL A 35 2.778 -2.506 2.042 1.00 0.15 H new ATOM 0 HG12 VAL A 35 3.364 -1.332 3.245 1.00 0.15 H new ATOM 0 HG13 VAL A 35 3.790 -3.053 3.400 1.00 0.15 H new ATOM 0 HG21 VAL A 35 1.039 -4.178 2.673 1.00 0.13 H new ATOM 0 HG22 VAL A 35 2.053 -4.720 4.031 1.00 0.13 H new ATOM 0 HG23 VAL A 35 0.378 -4.196 4.325 1.00 0.13 H new ATOM 529 N MET A 36 1.713 0.017 5.511 1.00 0.10 N ATOM 530 CA MET A 36 2.135 1.426 5.715 1.00 0.17 C ATOM 531 C MET A 36 2.724 1.571 7.121 1.00 0.22 C ATOM 532 O MET A 36 3.657 2.318 7.340 1.00 0.29 O ATOM 533 CB MET A 36 0.915 2.340 5.567 1.00 0.14 C ATOM 534 CG MET A 36 0.561 2.518 4.077 1.00 0.12 C ATOM 535 SD MET A 36 1.396 3.989 3.425 1.00 0.64 S ATOM 536 CE MET A 36 0.127 4.464 2.226 1.00 0.26 C ATOM 0 H MET A 36 0.727 -0.114 5.285 1.00 0.10 H new ATOM 0 HA MET A 36 2.887 1.704 4.976 1.00 0.17 H new ATOM 0 HB2 MET A 36 0.066 1.915 6.102 1.00 0.14 H new ATOM 0 HB3 MET A 36 1.122 3.311 6.018 1.00 0.14 H new ATOM 0 HG2 MET A 36 0.864 1.636 3.513 1.00 0.12 H new ATOM 0 HG3 MET A 36 -0.518 2.617 3.959 1.00 0.12 H new ATOM 0 HE1 MET A 36 0.442 5.365 1.700 1.00 0.26 H new ATOM 0 HE2 MET A 36 -0.016 3.656 1.508 1.00 0.26 H new ATOM 0 HE3 MET A 36 -0.811 4.657 2.746 1.00 0.26 H new ATOM 546 N ARG A 37 2.187 0.857 8.078 1.00 0.21 N ATOM 547 CA ARG A 37 2.726 0.952 9.464 1.00 0.28 C ATOM 548 C ARG A 37 4.141 0.374 9.494 1.00 0.28 C ATOM 549 O ARG A 37 4.957 0.748 10.312 1.00 0.40 O ATOM 550 CB ARG A 37 1.815 0.172 10.426 1.00 0.29 C ATOM 551 CG ARG A 37 0.612 1.041 10.810 1.00 0.31 C ATOM 552 CD ARG A 37 -0.479 0.171 11.438 1.00 1.40 C ATOM 553 NE ARG A 37 -0.001 -0.360 12.747 1.00 1.04 N ATOM 554 CZ ARG A 37 -0.854 -0.873 13.591 1.00 1.50 C ATOM 555 NH1 ARG A 37 -2.122 -0.925 13.289 1.00 2.32 N ATOM 556 NH2 ARG A 37 -0.438 -1.333 14.740 1.00 1.29 N ATOM 0 H ARG A 37 1.403 0.216 7.958 1.00 0.21 H new ATOM 0 HA ARG A 37 2.758 1.996 9.777 1.00 0.28 H new ATOM 0 HB2 ARG A 37 1.475 -0.750 9.954 1.00 0.29 H new ATOM 0 HB3 ARG A 37 2.371 -0.113 11.319 1.00 0.29 H new ATOM 0 HG2 ARG A 37 0.921 1.815 11.512 1.00 0.31 H new ATOM 0 HG3 ARG A 37 0.222 1.548 9.927 1.00 0.31 H new ATOM 0 HD2 ARG A 37 -1.388 0.756 11.581 1.00 1.40 H new ATOM 0 HD3 ARG A 37 -0.732 -0.652 10.770 1.00 1.40 H new ATOM 0 HE ARG A 37 0.991 -0.322 12.982 1.00 1.04 H new ATOM 0 HH11 ARG A 37 -2.448 -0.564 12.392 1.00 2.32 H new ATOM 0 HH12 ARG A 37 -2.788 -1.326 13.950 1.00 2.32 H new ATOM 0 HH21 ARG A 37 0.553 -1.291 14.977 1.00 1.29 H new ATOM 0 HH22 ARG A 37 -1.104 -1.734 15.400 1.00 1.29 H new ATOM 570 N SER A 38 4.446 -0.528 8.601 1.00 0.16 N ATOM 571 CA SER A 38 5.812 -1.114 8.581 1.00 0.18 C ATOM 572 C SER A 38 6.814 -0.041 8.144 1.00 0.24 C ATOM 573 O SER A 38 7.948 -0.020 8.580 1.00 0.28 O ATOM 574 CB SER A 38 5.853 -2.283 7.596 1.00 0.14 C ATOM 575 OG SER A 38 6.036 -1.781 6.279 1.00 0.20 O ATOM 0 H SER A 38 3.809 -0.882 7.887 1.00 0.16 H new ATOM 0 HA SER A 38 6.071 -1.473 9.577 1.00 0.18 H new ATOM 0 HB2 SER A 38 6.665 -2.963 7.854 1.00 0.14 H new ATOM 0 HB3 SER A 38 4.927 -2.855 7.654 1.00 0.14 H new ATOM 0 HG SER A 38 5.327 -1.136 6.073 1.00 0.20 H new ATOM 581 N LEU A 39 6.402 0.853 7.282 1.00 0.25 N ATOM 582 CA LEU A 39 7.330 1.925 6.815 1.00 0.32 C ATOM 583 C LEU A 39 7.350 3.071 7.833 1.00 0.37 C ATOM 584 O LEU A 39 8.027 4.063 7.651 1.00 0.42 O ATOM 585 CB LEU A 39 6.862 2.450 5.454 1.00 0.29 C ATOM 586 CG LEU A 39 6.616 1.275 4.498 1.00 0.26 C ATOM 587 CD1 LEU A 39 6.047 1.805 3.181 1.00 0.26 C ATOM 588 CD2 LEU A 39 7.937 0.540 4.226 1.00 0.33 C ATOM 0 H LEU A 39 5.464 0.887 6.882 1.00 0.25 H new ATOM 0 HA LEU A 39 8.336 1.516 6.718 1.00 0.32 H new ATOM 0 HB2 LEU A 39 5.947 3.031 5.573 1.00 0.29 H new ATOM 0 HB3 LEU A 39 7.613 3.120 5.035 1.00 0.29 H new ATOM 0 HG LEU A 39 5.907 0.582 4.952 1.00 0.26 H new ATOM 0 HD11 LEU A 39 5.871 0.973 2.500 1.00 0.26 H new ATOM 0 HD12 LEU A 39 5.107 2.322 3.373 1.00 0.26 H new ATOM 0 HD13 LEU A 39 6.757 2.499 2.731 1.00 0.26 H new ATOM 0 HD21 LEU A 39 7.757 -0.293 3.547 1.00 0.33 H new ATOM 0 HD22 LEU A 39 8.650 1.229 3.774 1.00 0.33 H new ATOM 0 HD23 LEU A 39 8.343 0.162 5.164 1.00 0.33 H new ATOM 600 N GLY A 40 6.628 2.935 8.918 1.00 0.35 N ATOM 601 CA GLY A 40 6.623 4.008 9.962 1.00 0.42 C ATOM 602 C GLY A 40 5.519 5.038 9.692 1.00 0.46 C ATOM 603 O GLY A 40 5.578 6.152 10.173 1.00 0.47 O ATOM 0 H GLY A 40 6.041 2.127 9.126 1.00 0.35 H new ATOM 0 HA2 GLY A 40 6.475 3.562 10.945 1.00 0.42 H new ATOM 0 HA3 GLY A 40 7.592 4.506 9.980 1.00 0.42 H new ATOM 607 N GLN A 41 4.505 4.681 8.939 1.00 0.50 N ATOM 608 CA GLN A 41 3.391 5.646 8.655 1.00 0.55 C ATOM 609 C GLN A 41 2.179 5.280 9.520 1.00 0.55 C ATOM 610 O GLN A 41 1.871 4.121 9.698 1.00 0.50 O ATOM 611 CB GLN A 41 3.005 5.556 7.178 1.00 0.56 C ATOM 612 CG GLN A 41 4.070 6.250 6.322 1.00 0.70 C ATOM 613 CD GLN A 41 3.902 7.767 6.425 1.00 1.62 C ATOM 614 OE1 GLN A 41 2.898 8.308 6.005 1.00 2.32 O ATOM 615 NE2 GLN A 41 4.849 8.480 6.967 1.00 2.24 N ATOM 0 H GLN A 41 4.400 3.763 8.508 1.00 0.50 H new ATOM 0 HA GLN A 41 3.715 6.661 8.884 1.00 0.55 H new ATOM 0 HB2 GLN A 41 2.909 4.512 6.880 1.00 0.56 H new ATOM 0 HB3 GLN A 41 2.034 6.024 7.017 1.00 0.56 H new ATOM 0 HG2 GLN A 41 5.066 5.961 6.657 1.00 0.70 H new ATOM 0 HG3 GLN A 41 3.979 5.934 5.283 1.00 0.70 H new ATOM 0 HE21 GLN A 41 5.691 8.026 7.319 1.00 2.24 H new ATOM 0 HE22 GLN A 41 4.748 9.492 7.039 1.00 2.24 H new ATOM 624 N ASN A 42 1.485 6.255 10.062 1.00 0.62 N ATOM 625 CA ASN A 42 0.291 5.950 10.921 1.00 0.64 C ATOM 626 C ASN A 42 -0.881 6.871 10.556 1.00 0.70 C ATOM 627 O ASN A 42 -1.194 7.779 11.300 1.00 0.77 O ATOM 628 CB ASN A 42 0.663 6.173 12.390 1.00 0.67 C ATOM 629 CG ASN A 42 -0.501 5.740 13.284 1.00 0.67 C ATOM 630 OD1 ASN A 42 -0.756 6.347 14.307 1.00 1.31 O ATOM 631 ND2 ASN A 42 -1.223 4.708 12.942 1.00 1.38 N ATOM 0 H ASN A 42 1.692 7.247 9.948 1.00 0.62 H new ATOM 0 HA ASN A 42 -0.008 4.915 10.758 1.00 0.64 H new ATOM 0 HB2 ASN A 42 1.558 5.604 12.640 1.00 0.67 H new ATOM 0 HB3 ASN A 42 0.896 7.224 12.562 1.00 0.67 H new ATOM 0 HD21 ASN A 42 -2.000 4.411 13.532 1.00 1.38 H new ATOM 0 HD22 ASN A 42 -1.010 4.198 12.084 1.00 1.38 H new ATOM 638 N PRO A 43 -1.510 6.612 9.430 1.00 0.69 N ATOM 639 CA PRO A 43 -2.662 7.421 8.986 1.00 0.75 C ATOM 640 C PRO A 43 -3.873 7.093 9.871 1.00 0.76 C ATOM 641 O PRO A 43 -3.994 5.997 10.382 1.00 0.71 O ATOM 642 CB PRO A 43 -2.907 6.982 7.523 1.00 0.72 C ATOM 643 CG PRO A 43 -2.000 5.745 7.250 1.00 0.63 C ATOM 644 CD PRO A 43 -1.135 5.516 8.510 1.00 0.62 C ATOM 0 HA PRO A 43 -2.491 8.495 9.056 1.00 0.75 H new ATOM 0 HB2 PRO A 43 -3.956 6.730 7.368 1.00 0.72 H new ATOM 0 HB3 PRO A 43 -2.669 7.792 6.834 1.00 0.72 H new ATOM 0 HG2 PRO A 43 -2.606 4.865 7.036 1.00 0.63 H new ATOM 0 HG3 PRO A 43 -1.369 5.917 6.378 1.00 0.63 H new ATOM 0 HD2 PRO A 43 -1.334 4.541 8.955 1.00 0.62 H new ATOM 0 HD3 PRO A 43 -0.072 5.546 8.271 1.00 0.62 H new ATOM 652 N THR A 44 -4.774 8.020 10.056 1.00 0.83 N ATOM 653 CA THR A 44 -5.961 7.717 10.903 1.00 0.85 C ATOM 654 C THR A 44 -6.853 6.725 10.162 1.00 0.80 C ATOM 655 O THR A 44 -6.585 6.352 9.037 1.00 0.78 O ATOM 656 CB THR A 44 -6.751 8.997 11.186 1.00 0.92 C ATOM 657 OG1 THR A 44 -7.045 9.650 9.960 1.00 0.90 O ATOM 658 CG2 THR A 44 -5.925 9.926 12.076 1.00 1.01 C ATOM 0 H THR A 44 -4.741 8.961 9.663 1.00 0.83 H new ATOM 0 HA THR A 44 -5.630 7.292 11.851 1.00 0.85 H new ATOM 0 HB THR A 44 -7.680 8.744 11.696 1.00 0.92 H new ATOM 0 HG1 THR A 44 -7.552 10.469 10.139 1.00 0.90 H new ATOM 0 HG21 THR A 44 -6.490 10.836 12.276 1.00 1.01 H new ATOM 0 HG22 THR A 44 -5.701 9.424 13.017 1.00 1.01 H new ATOM 0 HG23 THR A 44 -4.994 10.181 11.571 1.00 1.01 H new ATOM 666 N GLU A 45 -7.911 6.291 10.779 1.00 0.78 N ATOM 667 CA GLU A 45 -8.814 5.316 10.109 1.00 0.73 C ATOM 668 C GLU A 45 -9.518 5.986 8.928 1.00 0.73 C ATOM 669 O GLU A 45 -9.652 5.405 7.871 1.00 0.65 O ATOM 670 CB GLU A 45 -9.854 4.819 11.113 1.00 0.75 C ATOM 671 CG GLU A 45 -9.200 3.831 12.081 1.00 0.75 C ATOM 672 CD GLU A 45 -10.266 3.235 13.002 1.00 1.45 C ATOM 673 OE1 GLU A 45 -11.339 2.926 12.512 1.00 1.81 O ATOM 674 OE2 GLU A 45 -9.990 3.096 14.183 1.00 2.02 O ATOM 0 H GLU A 45 -8.192 6.568 11.720 1.00 0.78 H new ATOM 0 HA GLU A 45 -8.228 4.473 9.742 1.00 0.73 H new ATOM 0 HB2 GLU A 45 -10.273 5.661 11.664 1.00 0.75 H new ATOM 0 HB3 GLU A 45 -10.680 4.338 10.589 1.00 0.75 H new ATOM 0 HG2 GLU A 45 -8.700 3.038 11.525 1.00 0.75 H new ATOM 0 HG3 GLU A 45 -8.436 4.336 12.671 1.00 0.75 H new ATOM 681 N ALA A 46 -9.975 7.195 9.091 1.00 0.81 N ATOM 682 CA ALA A 46 -10.668 7.875 7.964 1.00 0.81 C ATOM 683 C ALA A 46 -9.683 8.075 6.813 1.00 0.79 C ATOM 684 O ALA A 46 -10.032 7.928 5.659 1.00 0.75 O ATOM 685 CB ALA A 46 -11.212 9.229 8.431 1.00 0.88 C ATOM 0 H ALA A 46 -9.899 7.739 9.951 1.00 0.81 H new ATOM 0 HA ALA A 46 -11.501 7.260 7.623 1.00 0.81 H new ATOM 0 HB1 ALA A 46 -11.719 9.723 7.602 1.00 0.88 H new ATOM 0 HB2 ALA A 46 -11.917 9.076 9.248 1.00 0.88 H new ATOM 0 HB3 ALA A 46 -10.388 9.853 8.776 1.00 0.88 H new ATOM 691 N GLU A 47 -8.451 8.389 7.109 1.00 0.82 N ATOM 692 CA GLU A 47 -7.464 8.572 6.012 1.00 0.80 C ATOM 693 C GLU A 47 -7.347 7.251 5.257 1.00 0.72 C ATOM 694 O GLU A 47 -7.222 7.220 4.049 1.00 0.69 O ATOM 695 CB GLU A 47 -6.099 8.947 6.598 1.00 0.85 C ATOM 696 CG GLU A 47 -6.098 10.419 7.014 1.00 0.94 C ATOM 697 CD GLU A 47 -4.688 10.826 7.449 1.00 0.78 C ATOM 698 OE1 GLU A 47 -3.864 11.055 6.578 1.00 0.49 O ATOM 699 OE2 GLU A 47 -4.458 10.905 8.645 1.00 1.06 O ATOM 0 H GLU A 47 -8.090 8.525 8.053 1.00 0.82 H new ATOM 0 HA GLU A 47 -7.789 9.368 5.343 1.00 0.80 H new ATOM 0 HB2 GLU A 47 -5.878 8.317 7.459 1.00 0.85 H new ATOM 0 HB3 GLU A 47 -5.316 8.768 5.862 1.00 0.85 H new ATOM 0 HG2 GLU A 47 -6.428 11.043 6.183 1.00 0.94 H new ATOM 0 HG3 GLU A 47 -6.802 10.577 7.831 1.00 0.94 H new ATOM 706 N LEU A 48 -7.386 6.158 5.968 1.00 0.68 N ATOM 707 CA LEU A 48 -7.275 4.832 5.299 1.00 0.59 C ATOM 708 C LEU A 48 -8.580 4.506 4.557 1.00 0.58 C ATOM 709 O LEU A 48 -8.561 4.028 3.443 1.00 0.57 O ATOM 710 CB LEU A 48 -6.997 3.747 6.358 1.00 0.53 C ATOM 711 CG LEU A 48 -5.485 3.671 6.669 1.00 0.43 C ATOM 712 CD1 LEU A 48 -5.269 3.068 8.061 1.00 0.41 C ATOM 713 CD2 LEU A 48 -4.780 2.781 5.634 1.00 0.65 C ATOM 0 H LEU A 48 -7.490 6.126 6.982 1.00 0.68 H new ATOM 0 HA LEU A 48 -6.456 4.860 4.580 1.00 0.59 H new ATOM 0 HB2 LEU A 48 -7.551 3.970 7.270 1.00 0.53 H new ATOM 0 HB3 LEU A 48 -7.350 2.780 5.998 1.00 0.53 H new ATOM 0 HG LEU A 48 -5.072 4.679 6.632 1.00 0.43 H new ATOM 0 HD11 LEU A 48 -4.201 3.017 8.274 1.00 0.41 H new ATOM 0 HD12 LEU A 48 -5.759 3.693 8.808 1.00 0.41 H new ATOM 0 HD13 LEU A 48 -5.693 2.064 8.093 1.00 0.41 H new ATOM 0 HD21 LEU A 48 -3.715 2.733 5.861 1.00 0.65 H new ATOM 0 HD22 LEU A 48 -5.204 1.777 5.668 1.00 0.65 H new ATOM 0 HD23 LEU A 48 -4.920 3.200 4.638 1.00 0.65 H new ATOM 725 N GLN A 49 -9.709 4.740 5.167 1.00 0.59 N ATOM 726 CA GLN A 49 -11.003 4.412 4.492 1.00 0.58 C ATOM 727 C GLN A 49 -11.226 5.327 3.286 1.00 0.61 C ATOM 728 O GLN A 49 -11.985 5.009 2.391 1.00 0.61 O ATOM 729 CB GLN A 49 -12.160 4.610 5.476 1.00 0.63 C ATOM 730 CG GLN A 49 -12.155 3.503 6.536 1.00 0.59 C ATOM 731 CD GLN A 49 -13.482 3.530 7.296 1.00 1.38 C ATOM 732 OE1 GLN A 49 -13.528 3.915 8.448 1.00 2.76 O ATOM 733 NE2 GLN A 49 -14.571 3.134 6.697 1.00 1.27 N ATOM 0 H GLN A 49 -9.795 5.143 6.100 1.00 0.59 H new ATOM 0 HA GLN A 49 -10.964 3.375 4.157 1.00 0.58 H new ATOM 0 HB2 GLN A 49 -12.074 5.584 5.958 1.00 0.63 H new ATOM 0 HB3 GLN A 49 -13.108 4.603 4.938 1.00 0.63 H new ATOM 0 HG2 GLN A 49 -12.012 2.531 6.064 1.00 0.59 H new ATOM 0 HG3 GLN A 49 -11.324 3.647 7.226 1.00 0.59 H new ATOM 0 HE21 GLN A 49 -14.533 2.811 5.730 1.00 1.27 H new ATOM 0 HE22 GLN A 49 -15.461 3.147 7.195 1.00 1.27 H new ATOM 742 N ASP A 50 -10.592 6.460 3.255 1.00 0.65 N ATOM 743 CA ASP A 50 -10.794 7.386 2.106 1.00 0.70 C ATOM 744 C ASP A 50 -10.060 6.844 0.883 1.00 0.65 C ATOM 745 O ASP A 50 -10.612 6.754 -0.195 1.00 0.67 O ATOM 746 CB ASP A 50 -10.250 8.772 2.458 1.00 0.77 C ATOM 747 CG ASP A 50 -11.082 9.375 3.591 1.00 1.92 C ATOM 748 OD1 ASP A 50 -12.113 8.805 3.913 1.00 2.72 O ATOM 749 OD2 ASP A 50 -10.678 10.398 4.119 1.00 2.34 O ATOM 0 H ASP A 50 -9.944 6.787 3.971 1.00 0.65 H new ATOM 0 HA ASP A 50 -11.859 7.464 1.887 1.00 0.70 H new ATOM 0 HB2 ASP A 50 -9.205 8.698 2.760 1.00 0.77 H new ATOM 0 HB3 ASP A 50 -10.284 9.421 1.583 1.00 0.77 H new ATOM 890 N GLY A 61 -11.906 -5.330 -3.297 1.00 0.30 N ATOM 891 CA GLY A 61 -11.427 -5.117 -1.896 1.00 0.25 C ATOM 892 C GLY A 61 -9.987 -5.622 -1.734 1.00 0.18 C ATOM 893 O GLY A 61 -9.622 -6.149 -0.701 1.00 0.19 O ATOM 0 HA2 GLY A 61 -11.476 -4.057 -1.646 1.00 0.25 H new ATOM 0 HA3 GLY A 61 -12.082 -5.640 -1.199 1.00 0.25 H new ATOM 897 N THR A 62 -9.164 -5.470 -2.744 1.00 0.15 N ATOM 898 CA THR A 62 -7.744 -5.941 -2.655 1.00 0.13 C ATOM 899 C THR A 62 -6.824 -4.896 -3.296 1.00 0.14 C ATOM 900 O THR A 62 -7.279 -3.962 -3.926 1.00 0.17 O ATOM 901 CB THR A 62 -7.602 -7.263 -3.415 1.00 0.17 C ATOM 902 OG1 THR A 62 -8.224 -7.143 -4.687 1.00 0.13 O ATOM 903 CG2 THR A 62 -8.271 -8.387 -2.623 1.00 0.20 C ATOM 0 H THR A 62 -9.416 -5.037 -3.632 1.00 0.15 H new ATOM 0 HA THR A 62 -7.471 -6.084 -1.609 1.00 0.13 H new ATOM 0 HB THR A 62 -6.545 -7.495 -3.545 1.00 0.17 H new ATOM 0 HG1 THR A 62 -8.133 -7.987 -5.176 1.00 0.13 H new ATOM 0 HG21 THR A 62 -8.168 -9.326 -3.167 1.00 0.20 H new ATOM 0 HG22 THR A 62 -7.794 -8.478 -1.647 1.00 0.20 H new ATOM 0 HG23 THR A 62 -9.328 -8.159 -2.490 1.00 0.20 H new ATOM 911 N ILE A 63 -5.529 -5.043 -3.142 1.00 0.14 N ATOM 912 CA ILE A 63 -4.572 -4.061 -3.743 1.00 0.17 C ATOM 913 C ILE A 63 -3.365 -4.818 -4.303 1.00 0.19 C ATOM 914 O ILE A 63 -2.820 -5.690 -3.658 1.00 0.18 O ATOM 915 CB ILE A 63 -4.111 -3.087 -2.653 1.00 0.15 C ATOM 916 CG1 ILE A 63 -5.307 -2.777 -1.743 1.00 0.11 C ATOM 917 CG2 ILE A 63 -3.564 -1.790 -3.277 1.00 0.22 C ATOM 918 CD1 ILE A 63 -4.976 -1.624 -0.797 1.00 0.16 C ATOM 0 H ILE A 63 -5.092 -5.805 -2.623 1.00 0.14 H new ATOM 0 HA ILE A 63 -5.056 -3.507 -4.547 1.00 0.17 H new ATOM 0 HB ILE A 63 -3.307 -3.540 -2.073 1.00 0.15 H new ATOM 0 HG12 ILE A 63 -6.175 -2.520 -2.349 1.00 0.11 H new ATOM 0 HG13 ILE A 63 -5.572 -3.663 -1.167 1.00 0.11 H new ATOM 0 HG21 ILE A 63 -3.242 -1.113 -2.486 1.00 0.22 H new ATOM 0 HG22 ILE A 63 -2.716 -2.025 -3.920 1.00 0.22 H new ATOM 0 HG23 ILE A 63 -4.346 -1.312 -3.868 1.00 0.22 H new ATOM 0 HD11 ILE A 63 -5.836 -1.418 -0.159 1.00 0.16 H new ATOM 0 HD12 ILE A 63 -4.121 -1.896 -0.177 1.00 0.16 H new ATOM 0 HD13 ILE A 63 -4.734 -0.734 -1.378 1.00 0.16 H new ATOM 930 N ASP A 64 -2.941 -4.485 -5.490 1.00 0.22 N ATOM 931 CA ASP A 64 -1.757 -5.169 -6.101 1.00 0.24 C ATOM 932 C ASP A 64 -0.520 -4.265 -5.931 1.00 0.23 C ATOM 933 O ASP A 64 -0.643 -3.107 -5.588 1.00 0.23 O ATOM 934 CB ASP A 64 -2.045 -5.457 -7.583 1.00 0.29 C ATOM 935 CG ASP A 64 -2.183 -4.146 -8.365 1.00 0.32 C ATOM 936 OD1 ASP A 64 -1.904 -3.103 -7.797 1.00 0.31 O ATOM 937 OD2 ASP A 64 -2.568 -4.209 -9.520 1.00 0.36 O ATOM 0 H ASP A 64 -3.365 -3.762 -6.072 1.00 0.22 H new ATOM 0 HA ASP A 64 -1.562 -6.120 -5.605 1.00 0.24 H new ATOM 0 HB2 ASP A 64 -1.240 -6.057 -8.006 1.00 0.29 H new ATOM 0 HB3 ASP A 64 -2.961 -6.041 -7.675 1.00 0.29 H new ATOM 942 N PHE A 65 0.667 -4.787 -6.127 1.00 0.22 N ATOM 943 CA PHE A 65 1.893 -3.945 -5.924 1.00 0.22 C ATOM 944 C PHE A 65 1.930 -2.704 -6.853 1.00 0.26 C ATOM 945 O PHE A 65 2.237 -1.635 -6.368 1.00 0.27 O ATOM 946 CB PHE A 65 3.171 -4.800 -6.073 1.00 0.21 C ATOM 947 CG PHE A 65 4.383 -4.029 -5.576 1.00 0.20 C ATOM 948 CD1 PHE A 65 4.471 -3.629 -4.232 1.00 1.97 C ATOM 949 CD2 PHE A 65 5.431 -3.729 -6.461 1.00 1.73 C ATOM 950 CE1 PHE A 65 5.599 -2.929 -3.782 1.00 2.01 C ATOM 951 CE2 PHE A 65 6.555 -3.031 -6.004 1.00 1.68 C ATOM 952 CZ PHE A 65 6.639 -2.632 -4.668 1.00 0.23 C ATOM 0 H PHE A 65 0.842 -5.750 -6.416 1.00 0.22 H new ATOM 0 HA PHE A 65 1.851 -3.560 -4.905 1.00 0.22 H new ATOM 0 HB2 PHE A 65 3.065 -5.727 -5.509 1.00 0.21 H new ATOM 0 HB3 PHE A 65 3.311 -5.077 -7.118 1.00 0.21 H new ATOM 0 HD1 PHE A 65 3.670 -3.861 -3.546 1.00 1.97 H new ATOM 0 HD2 PHE A 65 5.370 -4.037 -7.494 1.00 1.73 H new ATOM 0 HE1 PHE A 65 5.665 -2.619 -2.750 1.00 2.01 H new ATOM 0 HE2 PHE A 65 7.360 -2.800 -6.686 1.00 1.68 H new ATOM 0 HZ PHE A 65 7.508 -2.094 -4.319 1.00 0.23 H new ATOM 962 N PRO A 66 1.619 -2.819 -8.141 1.00 0.30 N ATOM 963 CA PRO A 66 1.645 -1.626 -9.006 1.00 0.34 C ATOM 964 C PRO A 66 0.794 -0.517 -8.371 1.00 0.35 C ATOM 965 O PRO A 66 1.265 0.580 -8.141 1.00 0.39 O ATOM 966 CB PRO A 66 1.063 -2.092 -10.360 1.00 0.39 C ATOM 967 CG PRO A 66 0.859 -3.630 -10.270 1.00 0.36 C ATOM 968 CD PRO A 66 1.228 -4.069 -8.831 1.00 0.31 C ATOM 0 HA PRO A 66 2.646 -1.216 -9.137 1.00 0.34 H new ATOM 0 HB2 PRO A 66 0.117 -1.590 -10.565 1.00 0.39 H new ATOM 0 HB3 PRO A 66 1.740 -1.841 -11.176 1.00 0.39 H new ATOM 0 HG2 PRO A 66 -0.174 -3.893 -10.497 1.00 0.36 H new ATOM 0 HG3 PRO A 66 1.486 -4.143 -10.999 1.00 0.36 H new ATOM 0 HD2 PRO A 66 0.383 -4.547 -8.335 1.00 0.31 H new ATOM 0 HD3 PRO A 66 2.045 -4.790 -8.835 1.00 0.31 H new ATOM 976 N GLU A 67 -0.449 -0.793 -8.074 1.00 0.33 N ATOM 977 CA GLU A 67 -1.305 0.248 -7.446 1.00 0.34 C ATOM 978 C GLU A 67 -0.667 0.683 -6.127 1.00 0.31 C ATOM 979 O GLU A 67 -0.754 1.830 -5.736 1.00 0.32 O ATOM 980 CB GLU A 67 -2.712 -0.308 -7.184 1.00 0.35 C ATOM 981 CG GLU A 67 -3.406 -0.583 -8.520 1.00 0.43 C ATOM 982 CD GLU A 67 -4.715 -1.335 -8.271 1.00 0.51 C ATOM 983 OE1 GLU A 67 -4.697 -2.277 -7.494 1.00 0.47 O ATOM 984 OE2 GLU A 67 -5.714 -0.958 -8.861 1.00 0.61 O ATOM 0 H GLU A 67 -0.904 -1.691 -8.239 1.00 0.33 H new ATOM 0 HA GLU A 67 -1.389 1.102 -8.118 1.00 0.34 H new ATOM 0 HB2 GLU A 67 -2.649 -1.225 -6.598 1.00 0.35 H new ATOM 0 HB3 GLU A 67 -3.294 0.405 -6.599 1.00 0.35 H new ATOM 0 HG2 GLU A 67 -3.606 0.355 -9.038 1.00 0.43 H new ATOM 0 HG3 GLU A 67 -2.754 -1.171 -9.166 1.00 0.43 H new ATOM 991 N PHE A 68 -0.007 -0.216 -5.442 1.00 0.27 N ATOM 992 CA PHE A 68 0.643 0.177 -4.165 1.00 0.24 C ATOM 993 C PHE A 68 1.759 1.168 -4.486 1.00 0.21 C ATOM 994 O PHE A 68 1.999 2.105 -3.751 1.00 0.25 O ATOM 995 CB PHE A 68 1.220 -1.049 -3.442 1.00 0.20 C ATOM 996 CG PHE A 68 1.638 -0.645 -2.047 1.00 0.19 C ATOM 997 CD1 PHE A 68 0.695 -0.630 -1.012 1.00 0.19 C ATOM 998 CD2 PHE A 68 2.966 -0.280 -1.789 1.00 0.19 C ATOM 999 CE1 PHE A 68 1.080 -0.249 0.282 1.00 0.18 C ATOM 1000 CE2 PHE A 68 3.347 0.101 -0.496 1.00 0.19 C ATOM 1001 CZ PHE A 68 2.404 0.115 0.538 1.00 0.18 C ATOM 0 H PHE A 68 0.107 -1.193 -5.711 1.00 0.27 H new ATOM 0 HA PHE A 68 -0.095 0.633 -3.505 1.00 0.24 H new ATOM 0 HB2 PHE A 68 0.476 -1.844 -3.397 1.00 0.20 H new ATOM 0 HB3 PHE A 68 2.075 -1.443 -3.992 1.00 0.20 H new ATOM 0 HD1 PHE A 68 -0.329 -0.912 -1.210 1.00 0.19 H new ATOM 0 HD2 PHE A 68 3.695 -0.292 -2.586 1.00 0.19 H new ATOM 0 HE1 PHE A 68 0.353 -0.237 1.080 1.00 0.18 H new ATOM 0 HE2 PHE A 68 4.370 0.384 -0.297 1.00 0.19 H new ATOM 0 HZ PHE A 68 2.700 0.407 1.535 1.00 0.18 H new ATOM 1011 N LEU A 69 2.436 0.981 -5.590 1.00 0.17 N ATOM 1012 CA LEU A 69 3.519 1.933 -5.958 1.00 0.17 C ATOM 1013 C LEU A 69 2.890 3.290 -6.276 1.00 0.26 C ATOM 1014 O LEU A 69 3.507 4.323 -6.110 1.00 0.32 O ATOM 1015 CB LEU A 69 4.283 1.426 -7.192 1.00 0.10 C ATOM 1016 CG LEU A 69 5.064 0.142 -6.869 1.00 0.05 C ATOM 1017 CD1 LEU A 69 5.838 -0.291 -8.121 1.00 0.04 C ATOM 1018 CD2 LEU A 69 6.060 0.385 -5.718 1.00 0.16 C ATOM 0 H LEU A 69 2.285 0.215 -6.246 1.00 0.17 H new ATOM 0 HA LEU A 69 4.218 2.022 -5.127 1.00 0.17 H new ATOM 0 HB2 LEU A 69 3.582 1.235 -8.004 1.00 0.10 H new ATOM 0 HB3 LEU A 69 4.971 2.196 -7.540 1.00 0.10 H new ATOM 0 HG LEU A 69 4.362 -0.634 -6.564 1.00 0.05 H new ATOM 0 HD11 LEU A 69 6.397 -1.202 -7.906 1.00 0.04 H new ATOM 0 HD12 LEU A 69 5.138 -0.479 -8.935 1.00 0.04 H new ATOM 0 HD13 LEU A 69 6.530 0.499 -8.413 1.00 0.04 H new ATOM 0 HD21 LEU A 69 6.602 -0.536 -5.505 1.00 0.16 H new ATOM 0 HD22 LEU A 69 6.766 1.163 -6.006 1.00 0.16 H new ATOM 0 HD23 LEU A 69 5.517 0.700 -4.827 1.00 0.16 H new ATOM 1030 N THR A 70 1.657 3.301 -6.714 1.00 0.30 N ATOM 1031 CA THR A 70 0.999 4.599 -7.019 1.00 0.40 C ATOM 1032 C THR A 70 0.701 5.313 -5.705 1.00 0.49 C ATOM 1033 O THR A 70 0.737 6.518 -5.627 1.00 0.61 O ATOM 1034 CB THR A 70 -0.314 4.373 -7.794 1.00 0.47 C ATOM 1035 OG1 THR A 70 -0.010 3.952 -9.115 1.00 0.51 O ATOM 1036 CG2 THR A 70 -1.117 5.681 -7.846 1.00 0.65 C ATOM 0 H THR A 70 1.084 2.472 -6.872 1.00 0.30 H new ATOM 0 HA THR A 70 1.662 5.204 -7.638 1.00 0.40 H new ATOM 0 HB THR A 70 -0.906 3.608 -7.291 1.00 0.47 H new ATOM 0 HG1 THR A 70 -0.842 3.805 -9.611 1.00 0.51 H new ATOM 0 HG21 THR A 70 -2.044 5.517 -8.395 1.00 0.65 H new ATOM 0 HG22 THR A 70 -1.348 6.007 -6.832 1.00 0.65 H new ATOM 0 HG23 THR A 70 -0.529 6.449 -8.348 1.00 0.65 H new ATOM 1044 N MET A 71 0.411 4.582 -4.669 1.00 0.44 N ATOM 1045 CA MET A 71 0.113 5.244 -3.366 1.00 0.53 C ATOM 1046 C MET A 71 1.385 5.914 -2.854 1.00 0.52 C ATOM 1047 O MET A 71 1.360 7.028 -2.372 1.00 0.55 O ATOM 1048 CB MET A 71 -0.385 4.215 -2.331 1.00 0.66 C ATOM 1049 CG MET A 71 -1.802 3.691 -2.697 1.00 0.35 C ATOM 1050 SD MET A 71 -2.890 3.778 -1.243 1.00 0.54 S ATOM 1051 CE MET A 71 -3.688 2.159 -1.423 1.00 0.38 C ATOM 0 H MET A 71 0.367 3.563 -4.664 1.00 0.44 H new ATOM 0 HA MET A 71 -0.672 5.986 -3.513 1.00 0.53 H new ATOM 0 HB2 MET A 71 0.313 3.379 -2.280 1.00 0.66 H new ATOM 0 HB3 MET A 71 -0.408 4.672 -1.342 1.00 0.66 H new ATOM 0 HG2 MET A 71 -2.220 4.284 -3.510 1.00 0.35 H new ATOM 0 HG3 MET A 71 -1.738 2.663 -3.053 1.00 0.35 H new ATOM 0 HE1 MET A 71 -4.566 2.113 -0.779 1.00 0.38 H new ATOM 0 HE2 MET A 71 -3.991 2.016 -2.460 1.00 0.38 H new ATOM 0 HE3 MET A 71 -2.987 1.374 -1.138 1.00 0.38 H new ATOM 1061 N MET A 72 2.498 5.249 -2.959 1.00 0.49 N ATOM 1062 CA MET A 72 3.769 5.858 -2.482 1.00 0.52 C ATOM 1063 C MET A 72 4.194 6.968 -3.445 1.00 0.48 C ATOM 1064 O MET A 72 4.679 8.002 -3.035 1.00 0.49 O ATOM 1065 CB MET A 72 4.861 4.787 -2.419 1.00 0.52 C ATOM 1066 CG MET A 72 4.385 3.617 -1.553 1.00 0.47 C ATOM 1067 SD MET A 72 4.056 4.196 0.132 1.00 0.48 S ATOM 1068 CE MET A 72 5.758 4.131 0.743 1.00 0.40 C ATOM 0 H MET A 72 2.584 4.312 -3.353 1.00 0.49 H new ATOM 0 HA MET A 72 3.619 6.278 -1.487 1.00 0.52 H new ATOM 0 HB2 MET A 72 5.098 4.436 -3.423 1.00 0.52 H new ATOM 0 HB3 MET A 72 5.776 5.210 -2.005 1.00 0.52 H new ATOM 0 HG2 MET A 72 3.482 3.180 -1.980 1.00 0.47 H new ATOM 0 HG3 MET A 72 5.142 2.833 -1.537 1.00 0.47 H new ATOM 0 HE1 MET A 72 5.786 4.471 1.778 1.00 0.40 H new ATOM 0 HE2 MET A 72 6.126 3.106 0.687 1.00 0.40 H new ATOM 0 HE3 MET A 72 6.389 4.776 0.132 1.00 0.40 H new ATOM 1078 N ALA A 73 4.016 6.766 -4.723 1.00 0.45 N ATOM 1079 CA ALA A 73 4.414 7.817 -5.697 1.00 0.44 C ATOM 1080 C ALA A 73 3.473 9.021 -5.559 1.00 0.45 C ATOM 1081 O ALA A 73 3.903 10.156 -5.613 1.00 0.42 O ATOM 1082 CB ALA A 73 4.360 7.253 -7.126 1.00 0.49 C ATOM 0 H ALA A 73 3.614 5.922 -5.131 1.00 0.45 H new ATOM 0 HA ALA A 73 5.435 8.139 -5.491 1.00 0.44 H new ATOM 0 HB1 ALA A 73 4.653 8.028 -7.834 1.00 0.49 H new ATOM 0 HB2 ALA A 73 5.043 6.408 -7.210 1.00 0.49 H new ATOM 0 HB3 ALA A 73 3.345 6.922 -7.349 1.00 0.49 H new ATOM 1222 N GLU A 82 14.453 15.096 -0.064 1.00 0.35 N ATOM 1223 CA GLU A 82 15.401 16.239 -0.060 1.00 0.34 C ATOM 1224 C GLU A 82 15.314 16.980 1.282 1.00 0.35 C ATOM 1225 O GLU A 82 16.312 17.279 1.906 1.00 0.39 O ATOM 1226 CB GLU A 82 15.014 17.175 -1.231 1.00 0.29 C ATOM 1227 CG GLU A 82 16.062 17.104 -2.352 1.00 0.81 C ATOM 1228 CD GLU A 82 15.727 18.141 -3.426 1.00 0.71 C ATOM 1229 OE1 GLU A 82 15.812 19.321 -3.127 1.00 1.09 O ATOM 1230 OE2 GLU A 82 15.395 17.738 -4.528 1.00 1.31 O ATOM 0 HA GLU A 82 16.427 15.894 -0.185 1.00 0.34 H new ATOM 0 HB2 GLU A 82 14.037 16.892 -1.622 1.00 0.29 H new ATOM 0 HB3 GLU A 82 14.928 18.200 -0.871 1.00 0.29 H new ATOM 0 HG2 GLU A 82 17.057 17.291 -1.948 1.00 0.81 H new ATOM 0 HG3 GLU A 82 16.078 16.105 -2.788 1.00 0.81 H new ATOM 1237 N GLU A 83 14.130 17.277 1.717 1.00 0.30 N ATOM 1238 CA GLU A 83 13.962 18.002 3.014 1.00 0.30 C ATOM 1239 C GLU A 83 14.393 17.097 4.167 1.00 0.34 C ATOM 1240 O GLU A 83 14.814 17.554 5.209 1.00 0.46 O ATOM 1241 CB GLU A 83 12.489 18.402 3.202 1.00 0.24 C ATOM 1242 CG GLU A 83 12.185 19.687 2.423 1.00 0.75 C ATOM 1243 CD GLU A 83 10.713 20.056 2.613 1.00 0.72 C ATOM 1244 OE1 GLU A 83 9.869 19.246 2.267 1.00 1.48 O ATOM 1245 OE2 GLU A 83 10.453 21.144 3.099 1.00 1.30 O ATOM 0 H GLU A 83 13.261 17.051 1.233 1.00 0.30 H new ATOM 0 HA GLU A 83 14.581 18.899 3.003 1.00 0.30 H new ATOM 0 HB2 GLU A 83 11.839 17.597 2.858 1.00 0.24 H new ATOM 0 HB3 GLU A 83 12.278 18.551 4.261 1.00 0.24 H new ATOM 0 HG2 GLU A 83 12.823 20.498 2.773 1.00 0.75 H new ATOM 0 HG3 GLU A 83 12.403 19.545 1.364 1.00 0.75 H new ATOM 1252 N GLU A 84 14.281 15.819 3.985 1.00 0.25 N ATOM 1253 CA GLU A 84 14.668 14.868 5.063 1.00 0.27 C ATOM 1254 C GLU A 84 16.189 14.771 5.146 1.00 0.29 C ATOM 1255 O GLU A 84 16.759 14.636 6.212 1.00 0.26 O ATOM 1256 CB GLU A 84 14.091 13.485 4.757 1.00 0.25 C ATOM 1257 CG GLU A 84 12.570 13.517 4.925 1.00 0.21 C ATOM 1258 CD GLU A 84 12.013 12.097 4.794 1.00 0.96 C ATOM 1259 OE1 GLU A 84 12.440 11.242 5.553 1.00 1.40 O ATOM 1260 OE2 GLU A 84 11.171 11.890 3.937 1.00 1.97 O ATOM 0 H GLU A 84 13.935 15.384 3.130 1.00 0.25 H new ATOM 0 HA GLU A 84 14.275 15.228 6.014 1.00 0.27 H new ATOM 0 HB2 GLU A 84 14.349 13.189 3.740 1.00 0.25 H new ATOM 0 HB3 GLU A 84 14.526 12.742 5.426 1.00 0.25 H new ATOM 0 HG2 GLU A 84 12.309 13.933 5.898 1.00 0.21 H new ATOM 0 HG3 GLU A 84 12.124 14.165 4.171 1.00 0.21 H new ATOM 1267 N ILE A 85 16.848 14.842 4.031 1.00 0.38 N ATOM 1268 CA ILE A 85 18.334 14.748 4.045 1.00 0.41 C ATOM 1269 C ILE A 85 18.929 16.082 4.518 1.00 0.40 C ATOM 1270 O ILE A 85 19.836 16.107 5.326 1.00 0.38 O ATOM 1271 CB ILE A 85 18.858 14.405 2.637 1.00 0.43 C ATOM 1272 CG1 ILE A 85 18.605 12.917 2.344 1.00 0.46 C ATOM 1273 CG2 ILE A 85 20.369 14.704 2.568 1.00 0.42 C ATOM 1274 CD1 ILE A 85 19.095 12.574 0.936 1.00 0.49 C ATOM 0 H ILE A 85 16.427 14.961 3.110 1.00 0.38 H new ATOM 0 HA ILE A 85 18.636 13.957 4.731 1.00 0.41 H new ATOM 0 HB ILE A 85 18.337 15.009 1.894 1.00 0.43 H new ATOM 0 HG12 ILE A 85 19.122 12.300 3.079 1.00 0.46 H new ATOM 0 HG13 ILE A 85 17.541 12.695 2.433 1.00 0.46 H new ATOM 0 HG21 ILE A 85 20.743 14.462 1.573 1.00 0.42 H new ATOM 0 HG22 ILE A 85 20.541 15.761 2.773 1.00 0.42 H new ATOM 0 HG23 ILE A 85 20.893 14.101 3.309 1.00 0.42 H new ATOM 0 HD11 ILE A 85 18.913 11.518 0.734 1.00 0.49 H new ATOM 0 HD12 ILE A 85 18.559 13.181 0.206 1.00 0.49 H new ATOM 0 HD13 ILE A 85 20.163 12.778 0.863 1.00 0.49 H new ATOM 1286 N ARG A 86 18.443 17.187 4.022 1.00 0.41 N ATOM 1287 CA ARG A 86 19.011 18.494 4.458 1.00 0.40 C ATOM 1288 C ARG A 86 18.709 18.697 5.942 1.00 0.38 C ATOM 1289 O ARG A 86 19.561 19.108 6.705 1.00 0.34 O ATOM 1290 CB ARG A 86 18.383 19.631 3.651 1.00 0.43 C ATOM 1291 CG ARG A 86 19.121 20.938 3.955 1.00 1.01 C ATOM 1292 CD ARG A 86 18.597 22.051 3.043 1.00 1.10 C ATOM 1293 NE ARG A 86 18.761 21.644 1.620 1.00 1.55 N ATOM 1294 CZ ARG A 86 18.137 22.300 0.679 1.00 1.41 C ATOM 1295 NH1 ARG A 86 17.375 23.315 0.986 1.00 1.25 N ATOM 1296 NH2 ARG A 86 18.274 21.942 -0.568 1.00 2.25 N ATOM 0 H ARG A 86 17.686 17.242 3.341 1.00 0.41 H new ATOM 0 HA ARG A 86 20.089 18.495 4.294 1.00 0.40 H new ATOM 0 HB2 ARG A 86 18.438 19.409 2.585 1.00 0.43 H new ATOM 0 HB3 ARG A 86 17.327 19.730 3.902 1.00 0.43 H new ATOM 0 HG2 ARG A 86 18.978 21.213 5.000 1.00 1.01 H new ATOM 0 HG3 ARG A 86 20.192 20.805 3.804 1.00 1.01 H new ATOM 0 HD2 ARG A 86 17.547 22.247 3.258 1.00 1.10 H new ATOM 0 HD3 ARG A 86 19.140 22.977 3.233 1.00 1.10 H new ATOM 0 HE ARG A 86 19.360 20.854 1.381 1.00 1.55 H new ATOM 0 HH11 ARG A 86 17.267 23.595 1.961 1.00 1.25 H new ATOM 0 HH12 ARG A 86 16.888 23.827 0.251 1.00 1.25 H new ATOM 0 HH21 ARG A 86 18.869 21.149 -0.809 1.00 2.25 H new ATOM 0 HH22 ARG A 86 17.786 22.455 -1.302 1.00 2.25 H new ATOM 1310 N GLU A 87 17.505 18.409 6.367 1.00 0.41 N ATOM 1311 CA GLU A 87 17.179 18.592 7.806 1.00 0.40 C ATOM 1312 C GLU A 87 18.065 17.657 8.631 1.00 0.38 C ATOM 1313 O GLU A 87 18.340 17.917 9.786 1.00 0.35 O ATOM 1314 CB GLU A 87 15.689 18.300 8.069 1.00 0.42 C ATOM 1315 CG GLU A 87 14.849 19.520 7.676 1.00 0.62 C ATOM 1316 CD GLU A 87 13.374 19.123 7.590 1.00 1.08 C ATOM 1317 OE1 GLU A 87 12.954 18.304 8.392 1.00 1.09 O ATOM 1318 OE2 GLU A 87 12.690 19.645 6.725 1.00 2.45 O ATOM 0 H GLU A 87 16.744 18.059 5.785 1.00 0.41 H new ATOM 0 HA GLU A 87 17.368 19.626 8.095 1.00 0.40 H new ATOM 0 HB2 GLU A 87 15.372 17.428 7.497 1.00 0.42 H new ATOM 0 HB3 GLU A 87 15.535 18.063 9.122 1.00 0.42 H new ATOM 0 HG2 GLU A 87 14.980 20.315 8.410 1.00 0.62 H new ATOM 0 HG3 GLU A 87 15.187 19.913 6.717 1.00 0.62 H new ATOM 1325 N ALA A 88 18.555 16.593 8.047 1.00 0.39 N ATOM 1326 CA ALA A 88 19.462 15.704 8.813 1.00 0.37 C ATOM 1327 C ALA A 88 20.831 16.353 8.793 1.00 0.35 C ATOM 1328 O ALA A 88 21.495 16.474 9.795 1.00 0.34 O ATOM 1329 CB ALA A 88 19.550 14.331 8.159 1.00 0.38 C ATOM 0 H ALA A 88 18.366 16.309 7.086 1.00 0.39 H new ATOM 0 HA ALA A 88 19.091 15.570 9.829 1.00 0.37 H new ATOM 0 HB1 ALA A 88 20.220 13.695 8.737 1.00 0.38 H new ATOM 0 HB2 ALA A 88 18.559 13.879 8.127 1.00 0.38 H new ATOM 0 HB3 ALA A 88 19.934 14.435 7.144 1.00 0.38 H new ATOM 1335 N PHE A 89 21.254 16.802 7.652 1.00 0.35 N ATOM 1336 CA PHE A 89 22.572 17.464 7.594 1.00 0.33 C ATOM 1337 C PHE A 89 22.513 18.684 8.519 1.00 0.32 C ATOM 1338 O PHE A 89 23.520 19.132 9.031 1.00 0.33 O ATOM 1339 CB PHE A 89 22.890 17.875 6.146 1.00 0.33 C ATOM 1340 CG PHE A 89 23.552 16.716 5.418 1.00 0.30 C ATOM 1341 CD1 PHE A 89 24.813 16.277 5.825 1.00 0.25 C ATOM 1342 CD2 PHE A 89 22.904 16.078 4.345 1.00 0.34 C ATOM 1343 CE1 PHE A 89 25.428 15.223 5.172 1.00 0.24 C ATOM 1344 CE2 PHE A 89 23.538 15.000 3.683 1.00 0.32 C ATOM 1345 CZ PHE A 89 24.811 14.585 4.113 1.00 0.27 C ATOM 0 H PHE A 89 20.749 16.740 6.768 1.00 0.35 H new ATOM 0 HA PHE A 89 23.365 16.791 7.920 1.00 0.33 H new ATOM 0 HB2 PHE A 89 21.974 18.165 5.631 1.00 0.33 H new ATOM 0 HB3 PHE A 89 23.548 18.744 6.141 1.00 0.33 H new ATOM 0 HD1 PHE A 89 25.310 16.761 6.652 1.00 0.25 H new ATOM 0 HD2 PHE A 89 21.926 16.410 4.028 1.00 0.34 H new ATOM 0 HE1 PHE A 89 26.405 14.894 5.495 1.00 0.24 H new ATOM 0 HE2 PHE A 89 23.050 14.502 2.858 1.00 0.32 H new ATOM 0 HZ PHE A 89 25.308 13.766 3.614 1.00 0.27 H new ATOM 1355 N ARG A 90 21.332 19.200 8.774 1.00 0.30 N ATOM 1356 CA ARG A 90 21.221 20.355 9.708 1.00 0.28 C ATOM 1357 C ARG A 90 21.542 19.834 11.108 1.00 0.24 C ATOM 1358 O ARG A 90 22.300 20.427 11.850 1.00 0.21 O ATOM 1359 CB ARG A 90 19.794 20.916 9.667 1.00 0.32 C ATOM 1360 CG ARG A 90 19.648 22.064 10.681 1.00 0.58 C ATOM 1361 CD ARG A 90 18.237 22.684 10.586 1.00 0.46 C ATOM 1362 NE ARG A 90 18.331 24.176 10.665 1.00 1.02 N ATOM 1363 CZ ARG A 90 19.057 24.765 11.580 1.00 1.80 C ATOM 1364 NH1 ARG A 90 19.611 24.069 12.535 1.00 2.37 N ATOM 1365 NH2 ARG A 90 19.193 26.061 11.562 1.00 2.28 N ATOM 0 H ARG A 90 20.451 18.871 8.378 1.00 0.30 H new ATOM 0 HA ARG A 90 21.908 21.154 9.429 1.00 0.28 H new ATOM 0 HB2 ARG A 90 19.565 21.275 8.664 1.00 0.32 H new ATOM 0 HB3 ARG A 90 19.078 20.126 9.894 1.00 0.32 H new ATOM 0 HG2 ARG A 90 19.822 21.691 11.690 1.00 0.58 H new ATOM 0 HG3 ARG A 90 20.402 22.827 10.488 1.00 0.58 H new ATOM 0 HD2 ARG A 90 17.763 22.390 9.650 1.00 0.46 H new ATOM 0 HD3 ARG A 90 17.609 22.307 11.393 1.00 0.46 H new ATOM 0 HE ARG A 90 17.818 24.745 9.991 1.00 1.02 H new ATOM 0 HH11 ARG A 90 19.479 23.058 12.572 1.00 2.37 H new ATOM 0 HH12 ARG A 90 20.176 24.536 13.245 1.00 2.37 H new ATOM 0 HH21 ARG A 90 18.734 26.612 10.836 1.00 2.28 H new ATOM 0 HH22 ARG A 90 19.758 26.524 12.274 1.00 2.28 H new ATOM 1379 N VAL A 91 20.986 18.706 11.455 1.00 0.26 N ATOM 1380 CA VAL A 91 21.270 18.099 12.791 1.00 0.23 C ATOM 1381 C VAL A 91 22.785 17.956 12.927 1.00 0.17 C ATOM 1382 O VAL A 91 23.313 17.762 14.005 1.00 0.15 O ATOM 1383 CB VAL A 91 20.612 16.695 12.860 1.00 0.29 C ATOM 1384 CG1 VAL A 91 21.381 15.762 13.809 1.00 0.28 C ATOM 1385 CG2 VAL A 91 19.160 16.816 13.350 1.00 0.35 C ATOM 0 H VAL A 91 20.343 18.174 10.869 1.00 0.26 H new ATOM 0 HA VAL A 91 20.872 18.723 13.592 1.00 0.23 H new ATOM 0 HB VAL A 91 20.635 16.271 11.856 1.00 0.29 H new ATOM 0 HG11 VAL A 91 20.894 14.787 13.834 1.00 0.28 H new ATOM 0 HG12 VAL A 91 22.405 15.647 13.455 1.00 0.28 H new ATOM 0 HG13 VAL A 91 21.390 16.190 14.812 1.00 0.28 H new ATOM 0 HG21 VAL A 91 18.707 15.825 13.395 1.00 0.35 H new ATOM 0 HG22 VAL A 91 19.147 17.266 14.343 1.00 0.35 H new ATOM 0 HG23 VAL A 91 18.594 17.442 12.660 1.00 0.35 H new ATOM 1395 N PHE A 92 23.476 17.993 11.823 1.00 0.19 N ATOM 1396 CA PHE A 92 24.953 17.793 11.840 1.00 0.13 C ATOM 1397 C PHE A 92 25.705 19.122 11.772 1.00 0.13 C ATOM 1398 O PHE A 92 26.877 19.197 12.071 1.00 0.18 O ATOM 1399 CB PHE A 92 25.284 16.890 10.648 1.00 0.22 C ATOM 1400 CG PHE A 92 25.249 15.458 11.108 1.00 0.26 C ATOM 1401 CD1 PHE A 92 24.031 14.753 11.191 1.00 0.28 C ATOM 1402 CD2 PHE A 92 26.438 14.850 11.485 1.00 0.32 C ATOM 1403 CE1 PHE A 92 24.023 13.445 11.657 1.00 0.35 C ATOM 1404 CE2 PHE A 92 26.430 13.530 11.941 1.00 0.43 C ATOM 1405 CZ PHE A 92 25.216 12.833 12.030 1.00 0.43 C ATOM 0 H PHE A 92 23.077 18.155 10.899 1.00 0.19 H new ATOM 0 HA PHE A 92 25.270 17.329 12.774 1.00 0.13 H new ATOM 0 HB2 PHE A 92 24.566 17.047 9.843 1.00 0.22 H new ATOM 0 HB3 PHE A 92 26.268 17.135 10.249 1.00 0.22 H new ATOM 0 HD1 PHE A 92 23.108 15.228 10.893 1.00 0.28 H new ATOM 0 HD2 PHE A 92 27.368 15.396 11.426 1.00 0.32 H new ATOM 0 HE1 PHE A 92 23.092 12.903 11.730 1.00 0.35 H new ATOM 0 HE2 PHE A 92 27.354 13.048 12.224 1.00 0.43 H new ATOM 0 HZ PHE A 92 25.207 11.815 12.390 1.00 0.43 H new ATOM 1415 N ASP A 93 25.034 20.166 11.434 1.00 0.17 N ATOM 1416 CA ASP A 93 25.688 21.511 11.390 1.00 0.23 C ATOM 1417 C ASP A 93 25.523 22.164 12.762 1.00 0.27 C ATOM 1418 O ASP A 93 24.909 23.202 12.906 1.00 0.37 O ATOM 1419 CB ASP A 93 25.025 22.382 10.317 1.00 0.32 C ATOM 1420 CG ASP A 93 25.677 23.767 10.315 1.00 0.39 C ATOM 1421 OD1 ASP A 93 26.563 23.982 11.124 1.00 1.24 O ATOM 1422 OD2 ASP A 93 25.277 24.587 9.504 1.00 0.77 O ATOM 0 H ASP A 93 24.046 20.160 11.180 1.00 0.17 H new ATOM 0 HA ASP A 93 26.745 21.407 11.145 1.00 0.23 H new ATOM 0 HB2 ASP A 93 25.131 21.916 9.337 1.00 0.32 H new ATOM 0 HB3 ASP A 93 23.957 22.471 10.513 1.00 0.32 H new ATOM 1489 N TYR A 99 28.920 23.974 6.851 1.00 0.39 N ATOM 1490 CA TYR A 99 29.956 22.956 6.463 1.00 0.30 C ATOM 1491 C TYR A 99 30.180 21.977 7.622 1.00 0.22 C ATOM 1492 O TYR A 99 30.070 22.330 8.781 1.00 0.16 O ATOM 1493 CB TYR A 99 31.278 23.670 6.131 1.00 0.37 C ATOM 1494 CG TYR A 99 31.226 24.206 4.715 1.00 0.63 C ATOM 1495 CD1 TYR A 99 30.378 25.273 4.406 1.00 0.19 C ATOM 1496 CD2 TYR A 99 32.025 23.636 3.714 1.00 1.57 C ATOM 1497 CE1 TYR A 99 30.325 25.773 3.100 1.00 0.35 C ATOM 1498 CE2 TYR A 99 31.973 24.136 2.408 1.00 1.87 C ATOM 1499 CZ TYR A 99 31.122 25.204 2.100 1.00 1.23 C ATOM 1500 OH TYR A 99 31.072 25.697 0.812 1.00 1.54 O ATOM 0 HA TYR A 99 29.610 22.405 5.589 1.00 0.30 H new ATOM 0 HB2 TYR A 99 31.448 24.486 6.833 1.00 0.37 H new ATOM 0 HB3 TYR A 99 32.113 22.978 6.238 1.00 0.37 H new ATOM 0 HD1 TYR A 99 29.762 25.713 5.177 1.00 0.19 H new ATOM 0 HD2 TYR A 99 32.681 22.811 3.951 1.00 1.57 H new ATOM 0 HE1 TYR A 99 29.669 26.598 2.864 1.00 0.35 H new ATOM 0 HE2 TYR A 99 32.590 23.698 1.637 1.00 1.87 H new ATOM 0 HH TYR A 99 31.688 25.190 0.243 1.00 1.54 H new ATOM 1510 N ILE A 100 30.503 20.747 7.305 1.00 0.20 N ATOM 1511 CA ILE A 100 30.751 19.720 8.363 1.00 0.11 C ATOM 1512 C ILE A 100 31.947 18.846 7.949 1.00 0.18 C ATOM 1513 O ILE A 100 32.484 18.988 6.870 1.00 0.37 O ATOM 1514 CB ILE A 100 29.509 18.832 8.531 1.00 0.17 C ATOM 1515 CG1 ILE A 100 28.918 18.480 7.158 1.00 0.48 C ATOM 1516 CG2 ILE A 100 28.442 19.532 9.412 1.00 0.15 C ATOM 1517 CD1 ILE A 100 27.772 17.474 7.325 1.00 0.41 C ATOM 0 H ILE A 100 30.606 20.408 6.349 1.00 0.20 H new ATOM 0 HA ILE A 100 30.965 20.220 9.307 1.00 0.11 H new ATOM 0 HB ILE A 100 29.813 17.912 9.031 1.00 0.17 H new ATOM 0 HG12 ILE A 100 28.553 19.382 6.667 1.00 0.48 H new ATOM 0 HG13 ILE A 100 29.692 18.059 6.516 1.00 0.48 H new ATOM 0 HG21 ILE A 100 27.573 18.883 9.516 1.00 0.15 H new ATOM 0 HG22 ILE A 100 28.861 19.737 10.397 1.00 0.15 H new ATOM 0 HG23 ILE A 100 28.141 20.469 8.943 1.00 0.15 H new ATOM 0 HD11 ILE A 100 27.358 17.229 6.347 1.00 0.41 H new ATOM 0 HD12 ILE A 100 28.150 16.567 7.797 1.00 0.41 H new ATOM 0 HD13 ILE A 100 26.993 17.910 7.950 1.00 0.41 H new ATOM 1529 N SER A 101 32.372 17.944 8.805 1.00 0.25 N ATOM 1530 CA SER A 101 33.536 17.071 8.457 1.00 0.37 C ATOM 1531 C SER A 101 33.091 15.907 7.563 1.00 0.20 C ATOM 1532 O SER A 101 32.043 15.323 7.758 1.00 0.15 O ATOM 1533 CB SER A 101 34.176 16.539 9.736 1.00 0.58 C ATOM 1534 OG SER A 101 33.251 15.702 10.418 1.00 0.60 O ATOM 0 H SER A 101 31.964 17.777 9.725 1.00 0.25 H new ATOM 0 HA SER A 101 34.268 17.662 7.907 1.00 0.37 H new ATOM 0 HB2 SER A 101 35.081 15.980 9.497 1.00 0.58 H new ATOM 0 HB3 SER A 101 34.474 17.368 10.378 1.00 0.58 H new ATOM 0 HG SER A 101 33.663 15.359 11.238 1.00 0.60 H new ATOM 1540 N ALA A 102 33.890 15.560 6.587 1.00 0.28 N ATOM 1541 CA ALA A 102 33.530 14.429 5.681 1.00 0.21 C ATOM 1542 C ALA A 102 33.017 13.236 6.494 1.00 0.09 C ATOM 1543 O ALA A 102 32.130 12.528 6.070 1.00 0.07 O ATOM 1544 CB ALA A 102 34.770 14.002 4.891 1.00 0.34 C ATOM 0 H ALA A 102 34.780 16.013 6.378 1.00 0.28 H new ATOM 0 HA ALA A 102 32.745 14.758 5.000 1.00 0.21 H new ATOM 0 HB1 ALA A 102 34.512 13.176 4.228 1.00 0.34 H new ATOM 0 HB2 ALA A 102 35.132 14.843 4.300 1.00 0.34 H new ATOM 0 HB3 ALA A 102 35.550 13.682 5.582 1.00 0.34 H new ATOM 1550 N ALA A 103 33.573 13.003 7.648 1.00 0.18 N ATOM 1551 CA ALA A 103 33.113 11.850 8.471 1.00 0.24 C ATOM 1552 C ALA A 103 31.685 12.102 8.933 1.00 0.19 C ATOM 1553 O ALA A 103 30.758 11.444 8.508 1.00 0.28 O ATOM 1554 CB ALA A 103 34.024 11.696 9.693 1.00 0.37 C ATOM 0 H ALA A 103 34.324 13.559 8.057 1.00 0.18 H new ATOM 0 HA ALA A 103 33.151 10.938 7.875 1.00 0.24 H new ATOM 0 HB1 ALA A 103 33.686 10.852 10.294 1.00 0.37 H new ATOM 0 HB2 ALA A 103 35.048 11.520 9.364 1.00 0.37 H new ATOM 0 HB3 ALA A 103 33.987 12.606 10.292 1.00 0.37 H new ATOM 1560 N GLU A 104 31.506 13.050 9.795 1.00 0.38 N ATOM 1561 CA GLU A 104 30.140 13.363 10.290 1.00 0.38 C ATOM 1562 C GLU A 104 29.192 13.532 9.081 1.00 0.24 C ATOM 1563 O GLU A 104 28.005 13.295 9.182 1.00 0.22 O ATOM 1564 CB GLU A 104 30.217 14.609 11.200 1.00 0.71 C ATOM 1565 CG GLU A 104 30.055 15.897 10.420 1.00 1.31 C ATOM 1566 CD GLU A 104 30.189 17.072 11.394 1.00 0.94 C ATOM 1567 OE1 GLU A 104 29.291 17.256 12.199 1.00 1.27 O ATOM 1568 OE2 GLU A 104 31.187 17.769 11.320 1.00 0.47 O ATOM 0 H GLU A 104 32.250 13.629 10.184 1.00 0.38 H new ATOM 0 HA GLU A 104 29.732 12.553 10.894 1.00 0.38 H new ATOM 0 HB2 GLU A 104 29.441 14.548 11.963 1.00 0.71 H new ATOM 0 HB3 GLU A 104 31.175 14.619 11.720 1.00 0.71 H new ATOM 0 HG2 GLU A 104 30.811 15.964 9.638 1.00 1.31 H new ATOM 0 HG3 GLU A 104 29.083 15.922 9.927 1.00 1.31 H new ATOM 1575 N LEU A 105 29.716 13.877 7.921 1.00 0.27 N ATOM 1576 CA LEU A 105 28.842 13.982 6.705 1.00 0.35 C ATOM 1577 C LEU A 105 28.531 12.559 6.249 1.00 0.30 C ATOM 1578 O LEU A 105 27.390 12.188 6.055 1.00 0.34 O ATOM 1579 CB LEU A 105 29.581 14.751 5.589 1.00 0.50 C ATOM 1580 CG LEU A 105 28.906 14.519 4.182 1.00 0.41 C ATOM 1581 CD1 LEU A 105 28.619 15.832 3.425 1.00 0.46 C ATOM 1582 CD2 LEU A 105 29.813 13.658 3.302 1.00 0.56 C ATOM 0 H LEU A 105 30.702 14.088 7.767 1.00 0.27 H new ATOM 0 HA LEU A 105 27.923 14.522 6.932 1.00 0.35 H new ATOM 0 HB2 LEU A 105 29.585 15.816 5.821 1.00 0.50 H new ATOM 0 HB3 LEU A 105 30.622 14.429 5.552 1.00 0.50 H new ATOM 0 HG LEU A 105 27.956 14.024 4.381 1.00 0.41 H new ATOM 0 HD11 LEU A 105 28.155 15.605 2.465 1.00 0.46 H new ATOM 0 HD12 LEU A 105 27.945 16.453 4.016 1.00 0.46 H new ATOM 0 HD13 LEU A 105 29.554 16.368 3.258 1.00 0.46 H new ATOM 0 HD21 LEU A 105 29.339 13.503 2.333 1.00 0.56 H new ATOM 0 HD22 LEU A 105 30.769 14.162 3.162 1.00 0.56 H new ATOM 0 HD23 LEU A 105 29.978 12.694 3.783 1.00 0.56 H new ATOM 1594 N ARG A 106 29.543 11.756 6.102 1.00 0.28 N ATOM 1595 CA ARG A 106 29.317 10.345 5.685 1.00 0.36 C ATOM 1596 C ARG A 106 28.413 9.696 6.727 1.00 0.34 C ATOM 1597 O ARG A 106 27.674 8.774 6.446 1.00 0.39 O ATOM 1598 CB ARG A 106 30.662 9.598 5.637 1.00 0.35 C ATOM 1599 CG ARG A 106 31.367 9.850 4.301 1.00 1.24 C ATOM 1600 CD ARG A 106 32.809 9.347 4.393 1.00 1.21 C ATOM 1601 NE ARG A 106 33.538 10.110 5.445 1.00 2.38 N ATOM 1602 CZ ARG A 106 34.673 9.659 5.906 1.00 2.88 C ATOM 1603 NH1 ARG A 106 35.157 8.533 5.457 1.00 2.33 N ATOM 1604 NH2 ARG A 106 35.322 10.330 6.818 1.00 4.38 N ATOM 0 H ARG A 106 30.518 12.014 6.252 1.00 0.28 H new ATOM 0 HA ARG A 106 28.859 10.306 4.697 1.00 0.36 H new ATOM 0 HB2 ARG A 106 31.298 9.928 6.459 1.00 0.35 H new ATOM 0 HB3 ARG A 106 30.496 8.529 5.772 1.00 0.35 H new ATOM 0 HG2 ARG A 106 30.841 9.338 3.496 1.00 1.24 H new ATOM 0 HG3 ARG A 106 31.354 10.914 4.064 1.00 1.24 H new ATOM 0 HD2 ARG A 106 32.819 8.283 4.628 1.00 1.21 H new ATOM 0 HD3 ARG A 106 33.308 9.466 3.431 1.00 1.21 H new ATOM 0 HE ARG A 106 33.151 10.983 5.804 1.00 2.38 H new ATOM 0 HH11 ARG A 106 34.648 8.006 4.747 1.00 2.33 H new ATOM 0 HH12 ARG A 106 36.044 8.180 5.816 1.00 2.33 H new ATOM 0 HH21 ARG A 106 34.943 11.208 7.172 1.00 4.38 H new ATOM 0 HH22 ARG A 106 36.209 9.976 7.177 1.00 4.38 H new ATOM 1618 N HIS A 107 28.477 10.181 7.935 1.00 0.33 N ATOM 1619 CA HIS A 107 27.640 9.616 9.011 1.00 0.39 C ATOM 1620 C HIS A 107 26.191 10.074 8.795 1.00 0.40 C ATOM 1621 O HIS A 107 25.265 9.299 8.908 1.00 0.53 O ATOM 1622 CB HIS A 107 28.183 10.117 10.356 1.00 0.36 C ATOM 1623 CG HIS A 107 27.845 9.130 11.440 1.00 0.49 C ATOM 1624 ND1 HIS A 107 28.428 7.874 11.506 1.00 0.69 N ATOM 1625 CD2 HIS A 107 26.984 9.196 12.498 1.00 0.55 C ATOM 1626 CE1 HIS A 107 27.913 7.243 12.576 1.00 0.83 C ATOM 1627 NE2 HIS A 107 27.027 8.006 13.219 1.00 0.75 N ATOM 0 H HIS A 107 29.081 10.952 8.218 1.00 0.33 H new ATOM 0 HA HIS A 107 27.665 8.526 9.004 1.00 0.39 H new ATOM 0 HB2 HIS A 107 29.263 10.250 10.296 1.00 0.36 H new ATOM 0 HB3 HIS A 107 27.755 11.091 10.592 1.00 0.36 H new ATOM 0 HD1 HIS A 107 29.122 7.497 10.860 1.00 0.69 H new ATOM 0 HD2 HIS A 107 26.362 10.045 12.739 1.00 0.55 H new ATOM 0 HE1 HIS A 107 28.183 6.242 12.878 1.00 0.83 H new ATOM 1635 N VAL A 108 25.991 11.322 8.451 1.00 0.29 N ATOM 1636 CA VAL A 108 24.605 11.814 8.195 1.00 0.33 C ATOM 1637 C VAL A 108 23.928 10.839 7.233 1.00 0.36 C ATOM 1638 O VAL A 108 22.745 10.575 7.322 1.00 0.42 O ATOM 1639 CB VAL A 108 24.649 13.185 7.487 1.00 0.31 C ATOM 1640 CG1 VAL A 108 23.225 13.568 7.010 1.00 0.38 C ATOM 1641 CG2 VAL A 108 25.189 14.262 8.441 1.00 0.30 C ATOM 0 H VAL A 108 26.727 12.019 8.337 1.00 0.29 H new ATOM 0 HA VAL A 108 24.074 11.896 9.143 1.00 0.33 H new ATOM 0 HB VAL A 108 25.314 13.118 6.626 1.00 0.31 H new ATOM 0 HG11 VAL A 108 23.257 14.536 6.510 1.00 0.38 H new ATOM 0 HG12 VAL A 108 22.859 12.813 6.315 1.00 0.38 H new ATOM 0 HG13 VAL A 108 22.557 13.625 7.869 1.00 0.38 H new ATOM 0 HG21 VAL A 108 25.214 15.223 7.928 1.00 0.30 H new ATOM 0 HG22 VAL A 108 24.540 14.334 9.314 1.00 0.30 H new ATOM 0 HG23 VAL A 108 26.197 13.994 8.759 1.00 0.30 H new ATOM 1651 N MET A 109 24.676 10.348 6.276 1.00 0.34 N ATOM 1652 CA MET A 109 24.082 9.441 5.262 1.00 0.38 C ATOM 1653 C MET A 109 23.856 8.031 5.841 1.00 0.41 C ATOM 1654 O MET A 109 22.953 7.331 5.430 1.00 0.45 O ATOM 1655 CB MET A 109 25.010 9.363 4.037 1.00 0.39 C ATOM 1656 CG MET A 109 25.327 10.774 3.518 1.00 0.34 C ATOM 1657 SD MET A 109 26.848 10.723 2.538 1.00 0.30 S ATOM 1658 CE MET A 109 26.079 10.328 0.950 1.00 0.30 C ATOM 0 H MET A 109 25.671 10.539 6.158 1.00 0.34 H new ATOM 0 HA MET A 109 23.113 9.842 4.965 1.00 0.38 H new ATOM 0 HB2 MET A 109 25.934 8.850 4.304 1.00 0.39 H new ATOM 0 HB3 MET A 109 24.536 8.776 3.250 1.00 0.39 H new ATOM 0 HG2 MET A 109 24.501 11.144 2.910 1.00 0.34 H new ATOM 0 HG3 MET A 109 25.442 11.464 4.354 1.00 0.34 H new ATOM 0 HE1 MET A 109 26.849 10.247 0.183 1.00 0.30 H new ATOM 0 HE2 MET A 109 25.546 9.381 1.030 1.00 0.30 H new ATOM 0 HE3 MET A 109 25.378 11.117 0.679 1.00 0.30 H new ATOM 1668 N THR A 110 24.672 7.591 6.773 1.00 0.40 N ATOM 1669 CA THR A 110 24.501 6.227 7.337 1.00 0.44 C ATOM 1670 C THR A 110 23.473 6.245 8.486 1.00 0.40 C ATOM 1671 O THR A 110 22.615 5.389 8.572 1.00 0.45 O ATOM 1672 CB THR A 110 25.888 5.758 7.836 1.00 0.46 C ATOM 1673 OG1 THR A 110 26.826 6.805 7.625 1.00 0.40 O ATOM 1674 CG2 THR A 110 26.354 4.516 7.065 1.00 0.58 C ATOM 0 H THR A 110 25.448 8.125 7.163 1.00 0.40 H new ATOM 0 HA THR A 110 24.122 5.539 6.581 1.00 0.44 H new ATOM 0 HB THR A 110 25.815 5.508 8.894 1.00 0.46 H new ATOM 0 HG1 THR A 110 26.924 6.968 6.664 1.00 0.40 H new ATOM 0 HG21 THR A 110 27.332 4.205 7.433 1.00 0.58 H new ATOM 0 HG22 THR A 110 25.637 3.708 7.210 1.00 0.58 H new ATOM 0 HG23 THR A 110 26.425 4.752 6.003 1.00 0.58 H new ATOM 1682 N ASN A 111 23.563 7.197 9.376 1.00 0.31 N ATOM 1683 CA ASN A 111 22.604 7.243 10.519 1.00 0.27 C ATOM 1684 C ASN A 111 21.181 7.423 10.001 1.00 0.29 C ATOM 1685 O ASN A 111 20.222 7.027 10.635 1.00 0.33 O ATOM 1686 CB ASN A 111 22.962 8.412 11.439 1.00 0.18 C ATOM 1687 CG ASN A 111 24.229 8.074 12.226 1.00 1.64 C ATOM 1688 OD1 ASN A 111 25.119 7.421 11.715 1.00 3.28 O ATOM 1689 ND2 ASN A 111 24.353 8.492 13.456 1.00 1.54 N ATOM 0 H ASN A 111 24.258 7.944 9.362 1.00 0.31 H new ATOM 0 HA ASN A 111 22.666 6.307 11.074 1.00 0.27 H new ATOM 0 HB2 ASN A 111 23.117 9.317 10.851 1.00 0.18 H new ATOM 0 HB3 ASN A 111 22.139 8.614 12.124 1.00 0.18 H new ATOM 0 HD21 ASN A 111 25.195 8.271 13.987 1.00 1.54 H new ATOM 0 HD22 ASN A 111 23.608 9.040 13.886 1.00 1.54 H new ATOM 1696 N LEU A 112 21.039 8.026 8.866 1.00 0.29 N ATOM 1697 CA LEU A 112 19.674 8.253 8.304 1.00 0.33 C ATOM 1698 C LEU A 112 18.963 6.922 8.090 1.00 0.41 C ATOM 1699 O LEU A 112 17.752 6.833 8.115 1.00 0.47 O ATOM 1700 CB LEU A 112 19.788 9.019 6.970 1.00 0.32 C ATOM 1701 CG LEU A 112 19.718 10.536 7.226 1.00 0.32 C ATOM 1702 CD1 LEU A 112 20.031 11.293 5.928 1.00 0.35 C ATOM 1703 CD2 LEU A 112 18.312 10.932 7.747 1.00 0.34 C ATOM 0 H LEU A 112 21.807 8.376 8.294 1.00 0.29 H new ATOM 0 HA LEU A 112 19.090 8.845 9.009 1.00 0.33 H new ATOM 0 HB2 LEU A 112 20.727 8.768 6.476 1.00 0.32 H new ATOM 0 HB3 LEU A 112 18.984 8.718 6.298 1.00 0.32 H new ATOM 0 HG LEU A 112 20.455 10.801 7.984 1.00 0.32 H new ATOM 0 HD11 LEU A 112 19.981 12.366 6.112 1.00 0.35 H new ATOM 0 HD12 LEU A 112 21.032 11.030 5.586 1.00 0.35 H new ATOM 0 HD13 LEU A 112 19.303 11.021 5.164 1.00 0.35 H new ATOM 0 HD21 LEU A 112 18.279 12.007 7.923 1.00 0.34 H new ATOM 0 HD22 LEU A 112 17.560 10.662 7.006 1.00 0.34 H new ATOM 0 HD23 LEU A 112 18.108 10.405 8.679 1.00 0.34 H new ATOM 1715 N GLY A 113 19.711 5.899 7.880 1.00 0.44 N ATOM 1716 CA GLY A 113 19.112 4.547 7.658 1.00 0.56 C ATOM 1717 C GLY A 113 18.856 4.345 6.163 1.00 0.58 C ATOM 1718 O GLY A 113 17.952 3.635 5.763 1.00 0.74 O ATOM 0 H GLY A 113 20.730 5.927 7.849 1.00 0.44 H new ATOM 0 HA2 GLY A 113 19.783 3.774 8.031 1.00 0.56 H new ATOM 0 HA3 GLY A 113 18.179 4.454 8.214 1.00 0.56 H new ATOM 1722 N GLU A 114 19.649 4.966 5.338 1.00 0.46 N ATOM 1723 CA GLU A 114 19.472 4.822 3.869 1.00 0.58 C ATOM 1724 C GLU A 114 20.099 3.490 3.418 1.00 0.51 C ATOM 1725 O GLU A 114 21.047 3.022 4.014 1.00 0.40 O ATOM 1726 CB GLU A 114 20.177 6.003 3.173 1.00 0.62 C ATOM 1727 CG GLU A 114 19.294 7.252 3.255 1.00 0.78 C ATOM 1728 CD GLU A 114 18.121 7.120 2.279 1.00 1.12 C ATOM 1729 OE1 GLU A 114 18.282 6.445 1.275 1.00 1.67 O ATOM 1730 OE2 GLU A 114 17.081 7.695 2.553 1.00 1.76 O ATOM 0 H GLU A 114 20.419 5.572 5.621 1.00 0.46 H new ATOM 0 HA GLU A 114 18.414 4.824 3.607 1.00 0.58 H new ATOM 0 HB2 GLU A 114 21.140 6.195 3.647 1.00 0.62 H new ATOM 0 HB3 GLU A 114 20.378 5.756 2.131 1.00 0.62 H new ATOM 0 HG2 GLU A 114 18.921 7.380 4.271 1.00 0.78 H new ATOM 0 HG3 GLU A 114 19.880 8.140 3.017 1.00 0.78 H new ATOM 1737 N LYS A 115 19.590 2.871 2.372 1.00 0.60 N ATOM 1738 CA LYS A 115 20.186 1.584 1.916 1.00 0.54 C ATOM 1739 C LYS A 115 21.435 1.905 1.112 1.00 0.46 C ATOM 1740 O LYS A 115 21.695 1.354 0.061 1.00 0.53 O ATOM 1741 CB LYS A 115 19.202 0.843 1.020 1.00 0.67 C ATOM 1742 CG LYS A 115 17.955 0.413 1.822 1.00 0.99 C ATOM 1743 CD LYS A 115 16.902 1.532 1.822 1.00 2.33 C ATOM 1744 CE LYS A 115 15.600 1.003 2.425 1.00 2.66 C ATOM 1745 NZ LYS A 115 15.828 0.634 3.851 1.00 2.87 N ATOM 0 H LYS A 115 18.796 3.203 1.825 1.00 0.60 H new ATOM 0 HA LYS A 115 20.424 0.959 2.777 1.00 0.54 H new ATOM 0 HB2 LYS A 115 18.904 1.484 0.190 1.00 0.67 H new ATOM 0 HB3 LYS A 115 19.684 -0.034 0.589 1.00 0.67 H new ATOM 0 HG2 LYS A 115 17.531 -0.493 1.389 1.00 0.99 H new ATOM 0 HG3 LYS A 115 18.239 0.173 2.847 1.00 0.99 H new ATOM 0 HD2 LYS A 115 17.262 2.385 2.397 1.00 2.33 H new ATOM 0 HD3 LYS A 115 16.728 1.883 0.805 1.00 2.33 H new ATOM 0 HE2 LYS A 115 14.820 1.761 2.354 1.00 2.66 H new ATOM 0 HE3 LYS A 115 15.253 0.135 1.864 1.00 2.66 H new ATOM 0 HZ1 LYS A 115 14.913 0.486 4.322 1.00 2.87 H new ATOM 0 HZ2 LYS A 115 16.387 -0.242 3.898 1.00 2.87 H new ATOM 0 HZ3 LYS A 115 16.343 1.400 4.330 1.00 2.87 H new ATOM 1759 N LEU A 116 22.194 2.806 1.626 1.00 0.37 N ATOM 1760 CA LEU A 116 23.457 3.232 0.955 1.00 0.40 C ATOM 1761 C LEU A 116 24.563 2.211 1.245 1.00 0.24 C ATOM 1762 O LEU A 116 24.699 1.706 2.342 1.00 0.31 O ATOM 1763 CB LEU A 116 23.833 4.677 1.419 1.00 0.52 C ATOM 1764 CG LEU A 116 24.933 4.643 2.483 1.00 2.25 C ATOM 1765 CD1 LEU A 116 26.291 4.277 1.835 1.00 3.04 C ATOM 1766 CD2 LEU A 116 25.014 6.014 3.163 1.00 3.56 C ATOM 0 H LEU A 116 21.999 3.285 2.505 1.00 0.37 H new ATOM 0 HA LEU A 116 23.323 3.264 -0.126 1.00 0.40 H new ATOM 0 HB2 LEU A 116 24.168 5.262 0.563 1.00 0.52 H new ATOM 0 HB3 LEU A 116 22.950 5.175 1.819 1.00 0.52 H new ATOM 0 HG LEU A 116 24.698 3.885 3.230 1.00 2.25 H new ATOM 0 HD11 LEU A 116 27.066 4.256 2.601 1.00 3.04 H new ATOM 0 HD12 LEU A 116 26.218 3.296 1.366 1.00 3.04 H new ATOM 0 HD13 LEU A 116 26.547 5.021 1.081 1.00 3.04 H new ATOM 0 HD21 LEU A 116 25.796 5.998 3.923 1.00 3.56 H new ATOM 0 HD22 LEU A 116 25.247 6.776 2.419 1.00 3.56 H new ATOM 0 HD23 LEU A 116 24.057 6.245 3.632 1.00 3.56 H new ATOM 1778 N THR A 117 25.381 1.946 0.258 1.00 0.45 N ATOM 1779 CA THR A 117 26.527 1.007 0.432 1.00 0.46 C ATOM 1780 C THR A 117 27.808 1.840 0.500 1.00 0.37 C ATOM 1781 O THR A 117 27.922 2.871 -0.131 1.00 0.32 O ATOM 1782 CB THR A 117 26.605 0.053 -0.760 1.00 0.69 C ATOM 1783 OG1 THR A 117 26.764 0.802 -1.956 1.00 0.72 O ATOM 1784 CG2 THR A 117 25.323 -0.777 -0.839 1.00 0.88 C ATOM 0 H THR A 117 25.300 2.348 -0.676 1.00 0.45 H new ATOM 0 HA THR A 117 26.399 0.420 1.341 1.00 0.46 H new ATOM 0 HB THR A 117 27.458 -0.615 -0.635 1.00 0.69 H new ATOM 0 HG1 THR A 117 25.902 1.188 -2.217 1.00 0.72 H new ATOM 0 HG21 THR A 117 25.381 -1.456 -1.690 1.00 0.88 H new ATOM 0 HG22 THR A 117 25.206 -1.354 0.079 1.00 0.88 H new ATOM 0 HG23 THR A 117 24.467 -0.114 -0.962 1.00 0.88 H new ATOM 1792 N ASP A 118 28.766 1.423 1.274 1.00 0.43 N ATOM 1793 CA ASP A 118 30.022 2.219 1.393 1.00 0.42 C ATOM 1794 C ASP A 118 30.653 2.437 0.013 1.00 0.41 C ATOM 1795 O ASP A 118 31.379 3.387 -0.197 1.00 0.37 O ATOM 1796 CB ASP A 118 31.011 1.476 2.293 1.00 0.51 C ATOM 1797 CG ASP A 118 30.363 1.210 3.654 1.00 0.61 C ATOM 1798 OD1 ASP A 118 30.316 2.130 4.455 1.00 0.83 O ATOM 1799 OD2 ASP A 118 29.921 0.094 3.870 1.00 1.85 O ATOM 0 H ASP A 118 28.737 0.568 1.830 1.00 0.43 H new ATOM 0 HA ASP A 118 29.783 3.190 1.827 1.00 0.42 H new ATOM 0 HB2 ASP A 118 31.305 0.535 1.828 1.00 0.51 H new ATOM 0 HB3 ASP A 118 31.918 2.067 2.420 1.00 0.51 H new ATOM 1804 N GLU A 119 30.389 1.572 -0.925 1.00 0.47 N ATOM 1805 CA GLU A 119 30.991 1.752 -2.279 1.00 0.46 C ATOM 1806 C GLU A 119 30.287 2.899 -3.009 1.00 0.43 C ATOM 1807 O GLU A 119 30.918 3.770 -3.575 1.00 0.41 O ATOM 1808 CB GLU A 119 30.831 0.463 -3.087 1.00 0.53 C ATOM 1809 CG GLU A 119 31.636 -0.665 -2.434 1.00 0.39 C ATOM 1810 CD GLU A 119 30.877 -1.199 -1.215 1.00 0.70 C ATOM 1811 OE1 GLU A 119 29.760 -1.655 -1.391 1.00 1.55 O ATOM 1812 OE2 GLU A 119 31.428 -1.145 -0.129 1.00 1.57 O ATOM 0 H GLU A 119 29.788 0.755 -0.817 1.00 0.47 H new ATOM 0 HA GLU A 119 32.050 1.986 -2.172 1.00 0.46 H new ATOM 0 HB2 GLU A 119 29.778 0.186 -3.141 1.00 0.53 H new ATOM 0 HB3 GLU A 119 31.172 0.620 -4.110 1.00 0.53 H new ATOM 0 HG2 GLU A 119 31.803 -1.468 -3.151 1.00 0.39 H new ATOM 0 HG3 GLU A 119 32.617 -0.298 -2.132 1.00 0.39 H new ATOM 1819 N GLU A 120 28.980 2.904 -3.010 1.00 0.43 N ATOM 1820 CA GLU A 120 28.237 3.988 -3.712 1.00 0.40 C ATOM 1821 C GLU A 120 28.715 5.356 -3.216 1.00 0.38 C ATOM 1822 O GLU A 120 28.904 6.273 -3.991 1.00 0.39 O ATOM 1823 CB GLU A 120 26.737 3.838 -3.438 1.00 0.39 C ATOM 1824 CG GLU A 120 26.158 2.718 -4.313 1.00 0.44 C ATOM 1825 CD GLU A 120 24.714 2.439 -3.898 1.00 0.44 C ATOM 1826 OE1 GLU A 120 24.523 1.847 -2.848 1.00 0.33 O ATOM 1827 OE2 GLU A 120 23.822 2.821 -4.637 1.00 0.65 O ATOM 0 H GLU A 120 28.396 2.203 -2.554 1.00 0.43 H new ATOM 0 HA GLU A 120 28.422 3.913 -4.784 1.00 0.40 H new ATOM 0 HB2 GLU A 120 26.571 3.612 -2.385 1.00 0.39 H new ATOM 0 HB3 GLU A 120 26.224 4.777 -3.647 1.00 0.39 H new ATOM 0 HG2 GLU A 120 26.196 3.007 -5.363 1.00 0.44 H new ATOM 0 HG3 GLU A 120 26.758 1.814 -4.209 1.00 0.44 H new ATOM 1834 N VAL A 121 28.910 5.503 -1.936 1.00 0.38 N ATOM 1835 CA VAL A 121 29.373 6.817 -1.403 1.00 0.37 C ATOM 1836 C VAL A 121 30.771 7.122 -1.943 1.00 0.37 C ATOM 1837 O VAL A 121 31.080 8.242 -2.300 1.00 0.37 O ATOM 1838 CB VAL A 121 29.358 6.763 0.142 1.00 0.36 C ATOM 1839 CG1 VAL A 121 30.372 7.747 0.738 1.00 0.37 C ATOM 1840 CG2 VAL A 121 27.958 7.141 0.644 1.00 0.64 C ATOM 0 H VAL A 121 28.770 4.774 -1.237 1.00 0.38 H new ATOM 0 HA VAL A 121 28.709 7.618 -1.726 1.00 0.37 H new ATOM 0 HB VAL A 121 29.622 5.752 0.453 1.00 0.36 H new ATOM 0 HG11 VAL A 121 30.340 7.688 1.826 1.00 0.37 H new ATOM 0 HG12 VAL A 121 31.373 7.493 0.390 1.00 0.37 H new ATOM 0 HG13 VAL A 121 30.124 8.760 0.422 1.00 0.37 H new ATOM 0 HG21 VAL A 121 27.940 7.105 1.733 1.00 0.64 H new ATOM 0 HG22 VAL A 121 27.712 8.149 0.310 1.00 0.64 H new ATOM 0 HG23 VAL A 121 27.227 6.438 0.246 1.00 0.64 H new ATOM 1850 N ASP A 122 31.616 6.141 -2.006 1.00 0.39 N ATOM 1851 CA ASP A 122 32.990 6.383 -2.527 1.00 0.40 C ATOM 1852 C ASP A 122 32.899 7.080 -3.890 1.00 0.40 C ATOM 1853 O ASP A 122 33.741 7.882 -4.244 1.00 0.39 O ATOM 1854 CB ASP A 122 33.728 5.052 -2.676 1.00 0.46 C ATOM 1855 CG ASP A 122 33.812 4.355 -1.318 1.00 0.56 C ATOM 1856 OD1 ASP A 122 33.226 4.861 -0.374 1.00 1.17 O ATOM 1857 OD2 ASP A 122 34.462 3.325 -1.241 1.00 1.25 O ATOM 0 H ASP A 122 31.420 5.181 -1.721 1.00 0.39 H new ATOM 0 HA ASP A 122 33.537 7.017 -1.829 1.00 0.40 H new ATOM 0 HB2 ASP A 122 33.208 4.415 -3.391 1.00 0.46 H new ATOM 0 HB3 ASP A 122 34.730 5.223 -3.071 1.00 0.46 H new ATOM 1862 N GLU A 123 31.879 6.789 -4.653 1.00 0.44 N ATOM 1863 CA GLU A 123 31.725 7.446 -5.981 1.00 0.46 C ATOM 1864 C GLU A 123 31.240 8.880 -5.734 1.00 0.41 C ATOM 1865 O GLU A 123 31.734 9.833 -6.300 1.00 0.40 O ATOM 1866 CB GLU A 123 30.716 6.619 -6.828 1.00 0.49 C ATOM 1867 CG GLU A 123 29.566 7.483 -7.367 1.00 1.61 C ATOM 1868 CD GLU A 123 28.675 6.637 -8.277 1.00 1.75 C ATOM 1869 OE1 GLU A 123 28.995 6.526 -9.449 1.00 1.86 O ATOM 1870 OE2 GLU A 123 27.689 6.112 -7.785 1.00 2.49 O ATOM 0 H GLU A 123 31.145 6.123 -4.412 1.00 0.44 H new ATOM 0 HA GLU A 123 32.663 7.487 -6.534 1.00 0.46 H new ATOM 0 HB2 GLU A 123 31.240 6.154 -7.662 1.00 0.49 H new ATOM 0 HB3 GLU A 123 30.308 5.813 -6.219 1.00 0.49 H new ATOM 0 HG2 GLU A 123 28.981 7.886 -6.540 1.00 1.61 H new ATOM 0 HG3 GLU A 123 29.964 8.334 -7.920 1.00 1.61 H new ATOM 1877 N MET A 124 30.279 9.025 -4.874 1.00 0.41 N ATOM 1878 CA MET A 124 29.748 10.373 -4.544 1.00 0.35 C ATOM 1879 C MET A 124 30.886 11.234 -3.978 1.00 0.32 C ATOM 1880 O MET A 124 30.881 12.444 -4.090 1.00 0.30 O ATOM 1881 CB MET A 124 28.619 10.213 -3.536 1.00 0.28 C ATOM 1882 CG MET A 124 27.493 9.361 -4.140 1.00 0.25 C ATOM 1883 SD MET A 124 25.941 9.706 -3.262 1.00 0.68 S ATOM 1884 CE MET A 124 25.667 8.064 -2.539 1.00 0.92 C ATOM 0 H MET A 124 29.831 8.255 -4.377 1.00 0.41 H new ATOM 0 HA MET A 124 29.356 10.869 -5.432 1.00 0.35 H new ATOM 0 HB2 MET A 124 28.995 9.742 -2.628 1.00 0.28 H new ATOM 0 HB3 MET A 124 28.233 11.192 -3.251 1.00 0.28 H new ATOM 0 HG2 MET A 124 27.381 9.585 -5.201 1.00 0.25 H new ATOM 0 HG3 MET A 124 27.741 8.302 -4.062 1.00 0.25 H new ATOM 0 HE1 MET A 124 24.656 8.008 -2.137 1.00 0.92 H new ATOM 0 HE2 MET A 124 25.795 7.302 -3.308 1.00 0.92 H new ATOM 0 HE3 MET A 124 26.386 7.895 -1.738 1.00 0.92 H new ATOM 1894 N ILE A 125 31.867 10.609 -3.384 1.00 0.33 N ATOM 1895 CA ILE A 125 33.029 11.367 -2.817 1.00 0.29 C ATOM 1896 C ILE A 125 34.021 11.739 -3.940 1.00 0.31 C ATOM 1897 O ILE A 125 34.749 12.704 -3.833 1.00 0.26 O ATOM 1898 CB ILE A 125 33.724 10.474 -1.770 1.00 0.30 C ATOM 1899 CG1 ILE A 125 32.869 10.471 -0.488 1.00 0.27 C ATOM 1900 CG2 ILE A 125 35.138 11.000 -1.467 1.00 0.31 C ATOM 1901 CD1 ILE A 125 33.478 9.572 0.595 1.00 0.26 C ATOM 0 H ILE A 125 31.917 9.597 -3.265 1.00 0.33 H new ATOM 0 HA ILE A 125 32.682 12.289 -2.351 1.00 0.29 H new ATOM 0 HB ILE A 125 33.820 9.459 -2.156 1.00 0.30 H new ATOM 0 HG12 ILE A 125 32.778 11.489 -0.108 1.00 0.27 H new ATOM 0 HG13 ILE A 125 31.862 10.127 -0.723 1.00 0.27 H new ATOM 0 HG21 ILE A 125 35.614 10.358 -0.726 1.00 0.31 H new ATOM 0 HG22 ILE A 125 35.730 10.999 -2.382 1.00 0.31 H new ATOM 0 HG23 ILE A 125 35.073 12.016 -1.078 1.00 0.31 H new ATOM 0 HD11 ILE A 125 32.848 9.595 1.484 1.00 0.26 H new ATOM 0 HD12 ILE A 125 33.544 8.549 0.224 1.00 0.26 H new ATOM 0 HD13 ILE A 125 34.475 9.932 0.848 1.00 0.26 H new ATOM 1913 N ARG A 126 34.065 10.976 -4.999 1.00 0.38 N ATOM 1914 CA ARG A 126 35.026 11.282 -6.107 1.00 0.41 C ATOM 1915 C ARG A 126 34.802 12.706 -6.639 1.00 0.40 C ATOM 1916 O ARG A 126 35.721 13.499 -6.702 1.00 0.35 O ATOM 1917 CB ARG A 126 34.840 10.270 -7.256 1.00 0.60 C ATOM 1918 CG ARG A 126 35.650 8.989 -6.976 1.00 0.45 C ATOM 1919 CD ARG A 126 35.490 7.987 -8.144 1.00 1.18 C ATOM 1920 NE ARG A 126 35.191 6.617 -7.615 1.00 1.55 N ATOM 1921 CZ ARG A 126 35.881 6.103 -6.630 1.00 1.25 C ATOM 1922 NH1 ARG A 126 36.909 6.741 -6.142 1.00 0.45 N ATOM 1923 NH2 ARG A 126 35.556 4.936 -6.150 1.00 1.99 N ATOM 0 H ARG A 126 33.479 10.154 -5.148 1.00 0.38 H new ATOM 0 HA ARG A 126 36.040 11.208 -5.714 1.00 0.41 H new ATOM 0 HB2 ARG A 126 33.784 10.024 -7.366 1.00 0.60 H new ATOM 0 HB3 ARG A 126 35.163 10.715 -8.197 1.00 0.60 H new ATOM 0 HG2 ARG A 126 36.703 9.238 -6.843 1.00 0.45 H new ATOM 0 HG3 ARG A 126 35.311 8.532 -6.046 1.00 0.45 H new ATOM 0 HD2 ARG A 126 34.686 8.313 -8.804 1.00 1.18 H new ATOM 0 HD3 ARG A 126 36.402 7.963 -8.740 1.00 1.18 H new ATOM 0 HE ARG A 126 34.434 6.075 -8.032 1.00 1.55 H new ATOM 0 HH11 ARG A 126 37.178 7.646 -6.529 1.00 0.45 H new ATOM 0 HH12 ARG A 126 37.443 6.335 -5.374 1.00 0.45 H new ATOM 0 HH21 ARG A 126 34.765 4.425 -6.542 1.00 1.99 H new ATOM 0 HH22 ARG A 126 36.093 4.533 -5.382 1.00 1.99 H new ATOM 1937 N GLU A 127 33.605 13.034 -7.051 1.00 0.52 N ATOM 1938 CA GLU A 127 33.366 14.403 -7.607 1.00 0.60 C ATOM 1939 C GLU A 127 33.213 15.437 -6.478 1.00 0.53 C ATOM 1940 O GLU A 127 33.371 16.621 -6.696 1.00 0.59 O ATOM 1941 CB GLU A 127 32.100 14.393 -8.479 1.00 0.76 C ATOM 1942 CG GLU A 127 32.409 13.753 -9.834 1.00 0.81 C ATOM 1943 CD GLU A 127 31.169 13.826 -10.725 1.00 1.05 C ATOM 1944 OE1 GLU A 127 30.087 13.573 -10.224 1.00 1.80 O ATOM 1945 OE2 GLU A 127 31.323 14.137 -11.896 1.00 1.78 O ATOM 0 H GLU A 127 32.789 12.422 -7.028 1.00 0.52 H new ATOM 0 HA GLU A 127 34.227 14.684 -8.214 1.00 0.60 H new ATOM 0 HB2 GLU A 127 31.306 13.839 -7.978 1.00 0.76 H new ATOM 0 HB3 GLU A 127 31.737 15.411 -8.622 1.00 0.76 H new ATOM 0 HG2 GLU A 127 33.243 14.268 -10.310 1.00 0.81 H new ATOM 0 HG3 GLU A 127 32.712 12.715 -9.698 1.00 0.81 H new ATOM 1952 N ALA A 128 32.951 15.012 -5.269 1.00 0.41 N ATOM 1953 CA ALA A 128 32.846 15.972 -4.144 1.00 0.37 C ATOM 1954 C ALA A 128 34.223 16.104 -3.544 1.00 0.31 C ATOM 1955 O ALA A 128 34.500 15.523 -2.522 1.00 0.24 O ATOM 1956 CB ALA A 128 31.905 15.455 -3.064 1.00 0.29 C ATOM 0 H ALA A 128 32.805 14.034 -5.017 1.00 0.41 H new ATOM 0 HA ALA A 128 32.459 16.922 -4.512 1.00 0.37 H new ATOM 0 HB1 ALA A 128 31.849 16.181 -2.253 1.00 0.29 H new ATOM 0 HB2 ALA A 128 30.912 15.306 -3.488 1.00 0.29 H new ATOM 0 HB3 ALA A 128 32.280 14.507 -2.678 1.00 0.29 H new ATOM 1962 N ASP A 129 35.083 16.826 -4.195 1.00 0.38 N ATOM 1963 CA ASP A 129 36.504 16.997 -3.701 1.00 0.39 C ATOM 1964 C ASP A 129 36.482 17.133 -2.177 1.00 0.36 C ATOM 1965 O ASP A 129 36.445 18.213 -1.621 1.00 0.43 O ATOM 1966 CB ASP A 129 37.152 18.253 -4.310 1.00 0.55 C ATOM 1967 CG ASP A 129 38.519 18.487 -3.660 1.00 2.49 C ATOM 1968 OD1 ASP A 129 39.167 17.508 -3.323 1.00 3.65 O ATOM 1969 OD2 ASP A 129 38.895 19.637 -3.510 1.00 3.18 O ATOM 0 H ASP A 129 34.874 17.319 -5.063 1.00 0.38 H new ATOM 0 HA ASP A 129 37.088 16.127 -4.002 1.00 0.39 H new ATOM 0 HB2 ASP A 129 37.265 18.131 -5.387 1.00 0.55 H new ATOM 0 HB3 ASP A 129 36.509 19.119 -4.153 1.00 0.55 H new ATOM 1974 N ILE A 130 36.435 16.013 -1.526 1.00 0.28 N ATOM 1975 CA ILE A 130 36.331 15.973 -0.044 1.00 0.30 C ATOM 1976 C ILE A 130 37.687 16.202 0.620 1.00 0.40 C ATOM 1977 O ILE A 130 37.819 16.210 1.828 1.00 0.59 O ATOM 1978 CB ILE A 130 35.751 14.585 0.303 1.00 0.23 C ATOM 1979 CG1 ILE A 130 34.184 14.570 0.100 1.00 0.20 C ATOM 1980 CG2 ILE A 130 36.169 14.161 1.712 1.00 0.32 C ATOM 1981 CD1 ILE A 130 33.445 13.950 1.302 1.00 0.30 C ATOM 0 H ILE A 130 36.465 15.095 -1.970 1.00 0.28 H new ATOM 0 HA ILE A 130 35.688 16.770 0.329 1.00 0.30 H new ATOM 0 HB ILE A 130 36.165 13.846 -0.383 1.00 0.23 H new ATOM 0 HG12 ILE A 130 33.830 15.589 -0.055 1.00 0.20 H new ATOM 0 HG13 ILE A 130 33.942 14.008 -0.802 1.00 0.20 H new ATOM 0 HG21 ILE A 130 35.750 13.180 1.936 1.00 0.32 H new ATOM 0 HG22 ILE A 130 37.256 14.113 1.770 1.00 0.32 H new ATOM 0 HG23 ILE A 130 35.799 14.888 2.435 1.00 0.32 H new ATOM 0 HD11 ILE A 130 32.371 13.962 1.115 1.00 0.30 H new ATOM 0 HD12 ILE A 130 33.777 12.921 1.442 1.00 0.30 H new ATOM 0 HD13 ILE A 130 33.663 14.527 2.200 1.00 0.30 H new ATOM 2024 N GLY A 134 39.167 19.767 4.007 1.00 0.43 N ATOM 2025 CA GLY A 134 38.944 18.882 5.190 1.00 0.62 C ATOM 2026 C GLY A 134 37.453 18.844 5.533 1.00 0.57 C ATOM 2027 O GLY A 134 36.951 17.862 6.043 1.00 0.55 O ATOM 0 HA2 GLY A 134 39.303 17.875 4.976 1.00 0.62 H new ATOM 0 HA3 GLY A 134 39.514 19.249 6.043 1.00 0.62 H new ATOM 2031 N GLN A 135 36.746 19.907 5.249 1.00 0.56 N ATOM 2032 CA GLN A 135 35.276 19.962 5.539 1.00 0.51 C ATOM 2033 C GLN A 135 34.521 20.157 4.221 1.00 0.48 C ATOM 2034 O GLN A 135 35.037 20.733 3.285 1.00 0.47 O ATOM 2035 CB GLN A 135 34.984 21.146 6.466 1.00 0.50 C ATOM 2036 CG GLN A 135 35.969 21.137 7.646 1.00 0.76 C ATOM 2037 CD GLN A 135 35.391 21.951 8.808 1.00 0.81 C ATOM 2038 OE1 GLN A 135 35.750 21.739 9.950 1.00 1.74 O ATOM 2039 NE2 GLN A 135 34.502 22.876 8.563 1.00 1.07 N ATOM 0 H GLN A 135 37.127 20.752 4.823 1.00 0.56 H new ATOM 0 HA GLN A 135 34.958 19.037 6.020 1.00 0.51 H new ATOM 0 HB2 GLN A 135 35.071 22.082 5.914 1.00 0.50 H new ATOM 0 HB3 GLN A 135 33.960 21.088 6.835 1.00 0.50 H new ATOM 0 HG2 GLN A 135 36.159 20.112 7.966 1.00 0.76 H new ATOM 0 HG3 GLN A 135 36.926 21.556 7.336 1.00 0.76 H new ATOM 0 HE21 GLN A 135 34.201 23.053 7.605 1.00 1.07 H new ATOM 0 HE22 GLN A 135 34.108 23.421 9.330 1.00 1.07 H new ATOM 2048 N VAL A 136 33.308 19.667 4.130 1.00 0.49 N ATOM 2049 CA VAL A 136 32.524 19.805 2.865 1.00 0.47 C ATOM 2050 C VAL A 136 31.071 20.150 3.212 1.00 0.48 C ATOM 2051 O VAL A 136 30.552 19.739 4.233 1.00 0.49 O ATOM 2052 CB VAL A 136 32.554 18.453 2.128 1.00 0.45 C ATOM 2053 CG1 VAL A 136 32.349 18.636 0.615 1.00 0.43 C ATOM 2054 CG2 VAL A 136 33.897 17.762 2.365 1.00 0.45 C ATOM 0 H VAL A 136 32.826 19.175 4.882 1.00 0.49 H new ATOM 0 HA VAL A 136 32.949 20.590 2.239 1.00 0.47 H new ATOM 0 HB VAL A 136 31.741 17.842 2.521 1.00 0.45 H new ATOM 0 HG11 VAL A 136 32.375 17.663 0.124 1.00 0.43 H new ATOM 0 HG12 VAL A 136 31.384 19.108 0.433 1.00 0.43 H new ATOM 0 HG13 VAL A 136 33.143 19.267 0.214 1.00 0.43 H new ATOM 0 HG21 VAL A 136 33.912 16.806 1.841 1.00 0.45 H new ATOM 0 HG22 VAL A 136 34.702 18.394 1.990 1.00 0.45 H new ATOM 0 HG23 VAL A 136 34.036 17.593 3.433 1.00 0.45 H new ATOM 2064 N ASN A 137 30.402 20.868 2.360 1.00 0.47 N ATOM 2065 CA ASN A 137 28.974 21.199 2.623 1.00 0.48 C ATOM 2066 C ASN A 137 28.132 19.996 2.194 1.00 0.46 C ATOM 2067 O ASN A 137 28.663 19.005 1.730 1.00 0.99 O ATOM 2068 CB ASN A 137 28.579 22.457 1.841 1.00 0.50 C ATOM 2069 CG ASN A 137 27.060 22.626 1.843 1.00 1.29 C ATOM 2070 OD1 ASN A 137 26.493 23.128 2.795 1.00 2.77 O ATOM 2071 ND2 ASN A 137 26.372 22.223 0.812 1.00 1.45 N ATOM 0 H ASN A 137 30.781 21.242 1.490 1.00 0.47 H new ATOM 0 HA ASN A 137 28.809 21.405 3.681 1.00 0.48 H new ATOM 0 HB2 ASN A 137 29.050 23.333 2.286 1.00 0.50 H new ATOM 0 HB3 ASN A 137 28.943 22.386 0.816 1.00 0.50 H new ATOM 0 HD21 ASN A 137 25.358 22.328 0.803 1.00 1.45 H new ATOM 0 HD22 ASN A 137 26.848 21.802 0.014 1.00 1.45 H new ATOM 2078 N TYR A 138 26.836 20.049 2.376 1.00 0.25 N ATOM 2079 CA TYR A 138 25.964 18.871 2.016 1.00 0.28 C ATOM 2080 C TYR A 138 25.041 19.155 0.802 1.00 0.26 C ATOM 2081 O TYR A 138 24.697 18.237 0.092 1.00 0.26 O ATOM 2082 CB TYR A 138 25.115 18.478 3.250 1.00 0.36 C ATOM 2083 CG TYR A 138 24.854 19.699 4.103 1.00 0.14 C ATOM 2084 CD1 TYR A 138 25.880 20.242 4.890 1.00 0.99 C ATOM 2085 CD2 TYR A 138 23.591 20.302 4.091 1.00 0.95 C ATOM 2086 CE1 TYR A 138 25.639 21.383 5.660 1.00 1.23 C ATOM 2087 CE2 TYR A 138 23.347 21.436 4.867 1.00 0.73 C ATOM 2088 CZ TYR A 138 24.370 21.981 5.653 1.00 0.43 C ATOM 2089 OH TYR A 138 24.132 23.107 6.414 1.00 0.66 O ATOM 0 H TYR A 138 26.338 20.853 2.758 1.00 0.25 H new ATOM 0 HA TYR A 138 26.618 18.050 1.723 1.00 0.28 H new ATOM 0 HB2 TYR A 138 24.170 18.039 2.928 1.00 0.36 H new ATOM 0 HB3 TYR A 138 25.636 17.720 3.834 1.00 0.36 H new ATOM 0 HD1 TYR A 138 26.856 19.779 4.901 1.00 0.99 H new ATOM 0 HD2 TYR A 138 22.803 19.888 3.479 1.00 0.95 H new ATOM 0 HE1 TYR A 138 26.431 21.805 6.261 1.00 1.23 H new ATOM 0 HE2 TYR A 138 22.369 21.894 4.861 1.00 0.73 H new ATOM 0 HH TYR A 138 23.203 23.393 6.293 1.00 0.66 H new ATOM 2099 N GLU A 139 24.619 20.382 0.557 1.00 0.29 N ATOM 2100 CA GLU A 139 23.701 20.652 -0.604 1.00 0.28 C ATOM 2101 C GLU A 139 24.110 19.823 -1.829 1.00 0.23 C ATOM 2102 O GLU A 139 23.275 19.257 -2.506 1.00 0.28 O ATOM 2103 CB GLU A 139 23.734 22.146 -0.959 1.00 0.29 C ATOM 2104 CG GLU A 139 22.887 22.938 0.044 1.00 1.10 C ATOM 2105 CD GLU A 139 23.366 22.644 1.466 1.00 2.59 C ATOM 2106 OE1 GLU A 139 24.307 23.289 1.899 1.00 2.87 O ATOM 2107 OE2 GLU A 139 22.779 21.787 2.100 1.00 3.84 O ATOM 0 H GLU A 139 24.870 21.202 1.109 1.00 0.29 H new ATOM 0 HA GLU A 139 22.690 20.367 -0.314 1.00 0.28 H new ATOM 0 HB2 GLU A 139 24.762 22.509 -0.947 1.00 0.29 H new ATOM 0 HB3 GLU A 139 23.354 22.297 -1.969 1.00 0.29 H new ATOM 0 HG2 GLU A 139 22.964 24.005 -0.163 1.00 1.10 H new ATOM 0 HG3 GLU A 139 21.836 22.668 -0.059 1.00 1.10 H new ATOM 2114 N GLU A 140 25.376 19.734 -2.124 1.00 0.14 N ATOM 2115 CA GLU A 140 25.795 18.928 -3.303 1.00 0.09 C ATOM 2116 C GLU A 140 25.605 17.443 -2.988 1.00 0.09 C ATOM 2117 O GLU A 140 25.132 16.673 -3.803 1.00 0.09 O ATOM 2118 CB GLU A 140 27.267 19.203 -3.613 1.00 0.04 C ATOM 2119 CG GLU A 140 27.464 20.698 -3.867 1.00 0.95 C ATOM 2120 CD GLU A 140 28.891 20.949 -4.362 1.00 1.33 C ATOM 2121 OE1 GLU A 140 29.660 20.003 -4.392 1.00 1.73 O ATOM 2122 OE2 GLU A 140 29.186 22.082 -4.704 1.00 2.14 O ATOM 0 H GLU A 140 26.133 20.180 -1.605 1.00 0.14 H new ATOM 0 HA GLU A 140 25.189 19.199 -4.168 1.00 0.09 H new ATOM 0 HB2 GLU A 140 27.892 18.879 -2.780 1.00 0.04 H new ATOM 0 HB3 GLU A 140 27.579 18.631 -4.487 1.00 0.04 H new ATOM 0 HG2 GLU A 140 26.744 21.050 -4.606 1.00 0.95 H new ATOM 0 HG3 GLU A 140 27.281 21.260 -2.951 1.00 0.95 H new ATOM 2129 N PHE A 141 25.973 17.039 -1.804 1.00 0.10 N ATOM 2130 CA PHE A 141 25.828 15.605 -1.421 1.00 0.10 C ATOM 2131 C PHE A 141 24.341 15.265 -1.226 1.00 0.12 C ATOM 2132 O PHE A 141 23.955 14.113 -1.264 1.00 0.10 O ATOM 2133 CB PHE A 141 26.625 15.337 -0.116 1.00 0.11 C ATOM 2134 CG PHE A 141 27.812 14.442 -0.399 1.00 0.11 C ATOM 2135 CD1 PHE A 141 27.608 13.084 -0.646 1.00 0.13 C ATOM 2136 CD2 PHE A 141 29.113 14.969 -0.423 1.00 0.18 C ATOM 2137 CE1 PHE A 141 28.695 12.254 -0.915 1.00 0.13 C ATOM 2138 CE2 PHE A 141 30.201 14.125 -0.696 1.00 0.20 C ATOM 2139 CZ PHE A 141 29.983 12.775 -0.940 1.00 0.14 C ATOM 0 H PHE A 141 26.369 17.641 -1.082 1.00 0.10 H new ATOM 0 HA PHE A 141 26.226 14.971 -2.214 1.00 0.10 H new ATOM 0 HB2 PHE A 141 26.966 16.281 0.310 1.00 0.11 H new ATOM 0 HB3 PHE A 141 25.976 14.869 0.624 1.00 0.11 H new ATOM 0 HD1 PHE A 141 26.608 12.676 -0.629 1.00 0.13 H new ATOM 0 HD2 PHE A 141 29.276 16.019 -0.232 1.00 0.18 H new ATOM 0 HE1 PHE A 141 28.536 11.203 -1.105 1.00 0.13 H new ATOM 0 HE2 PHE A 141 31.204 14.524 -0.716 1.00 0.20 H new ATOM 0 HZ PHE A 141 30.820 12.126 -1.151 1.00 0.14 H new ATOM 2149 N VAL A 142 23.505 16.243 -1.012 1.00 0.21 N ATOM 2150 CA VAL A 142 22.060 15.943 -0.815 1.00 0.23 C ATOM 2151 C VAL A 142 21.450 15.503 -2.148 1.00 0.20 C ATOM 2152 O VAL A 142 20.770 14.497 -2.234 1.00 0.16 O ATOM 2153 CB VAL A 142 21.326 17.196 -0.319 1.00 0.29 C ATOM 2154 CG1 VAL A 142 19.821 16.895 -0.234 1.00 0.29 C ATOM 2155 CG2 VAL A 142 21.863 17.618 1.074 1.00 0.34 C ATOM 0 H VAL A 142 23.758 17.230 -0.965 1.00 0.21 H new ATOM 0 HA VAL A 142 21.958 15.149 -0.076 1.00 0.23 H new ATOM 0 HB VAL A 142 21.497 18.016 -1.017 1.00 0.29 H new ATOM 0 HG11 VAL A 142 19.292 17.781 0.118 1.00 0.29 H new ATOM 0 HG12 VAL A 142 19.449 16.618 -1.220 1.00 0.29 H new ATOM 0 HG13 VAL A 142 19.653 16.072 0.461 1.00 0.29 H new ATOM 0 HG21 VAL A 142 21.333 18.508 1.414 1.00 0.34 H new ATOM 0 HG22 VAL A 142 21.705 16.808 1.786 1.00 0.34 H new ATOM 0 HG23 VAL A 142 22.929 17.835 1.003 1.00 0.34 H new ATOM 2165 N GLN A 143 21.680 16.257 -3.191 1.00 0.22 N ATOM 2166 CA GLN A 143 21.106 15.898 -4.519 1.00 0.20 C ATOM 2167 C GLN A 143 21.755 14.614 -5.046 1.00 0.16 C ATOM 2168 O GLN A 143 21.210 13.942 -5.897 1.00 0.22 O ATOM 2169 CB GLN A 143 21.365 17.039 -5.507 1.00 0.25 C ATOM 2170 CG GLN A 143 20.543 18.263 -5.092 1.00 0.33 C ATOM 2171 CD GLN A 143 20.684 19.358 -6.153 1.00 0.59 C ATOM 2172 OE1 GLN A 143 20.081 19.284 -7.205 1.00 1.24 O ATOM 2173 NE2 GLN A 143 21.464 20.379 -5.918 1.00 1.06 N ATOM 0 H GLN A 143 22.242 17.108 -3.179 1.00 0.22 H new ATOM 0 HA GLN A 143 20.034 15.736 -4.411 1.00 0.20 H new ATOM 0 HB2 GLN A 143 22.426 17.288 -5.523 1.00 0.25 H new ATOM 0 HB3 GLN A 143 21.094 16.730 -6.517 1.00 0.25 H new ATOM 0 HG2 GLN A 143 19.495 17.988 -4.976 1.00 0.33 H new ATOM 0 HG3 GLN A 143 20.885 18.633 -4.125 1.00 0.33 H new ATOM 0 HE21 GLN A 143 21.970 20.441 -5.035 1.00 1.06 H new ATOM 0 HE22 GLN A 143 21.567 21.114 -6.618 1.00 1.06 H new ATOM 2182 N MET A 144 22.918 14.271 -4.559 1.00 0.09 N ATOM 2183 CA MET A 144 23.593 13.033 -5.051 1.00 0.08 C ATOM 2184 C MET A 144 22.893 11.786 -4.491 1.00 0.11 C ATOM 2185 O MET A 144 22.758 10.789 -5.168 1.00 0.16 O ATOM 2186 CB MET A 144 25.066 13.041 -4.604 1.00 0.08 C ATOM 2187 CG MET A 144 25.908 13.905 -5.554 1.00 0.16 C ATOM 2188 SD MET A 144 27.405 14.452 -4.697 1.00 0.61 S ATOM 2189 CE MET A 144 27.927 15.686 -5.912 1.00 0.92 C ATOM 0 H MET A 144 23.428 14.791 -3.845 1.00 0.09 H new ATOM 0 HA MET A 144 23.539 13.008 -6.139 1.00 0.08 H new ATOM 0 HB2 MET A 144 25.142 13.427 -3.587 1.00 0.08 H new ATOM 0 HB3 MET A 144 25.454 12.022 -4.588 1.00 0.08 H new ATOM 0 HG2 MET A 144 26.173 13.335 -6.444 1.00 0.16 H new ATOM 0 HG3 MET A 144 25.331 14.767 -5.888 1.00 0.16 H new ATOM 0 HE1 MET A 144 28.851 16.158 -5.578 1.00 0.92 H new ATOM 0 HE2 MET A 144 28.094 15.201 -6.874 1.00 0.92 H new ATOM 0 HE3 MET A 144 27.151 16.444 -6.018 1.00 0.92 H new ATOM 2199 N MET A 145 22.464 11.830 -3.262 1.00 0.13 N ATOM 2200 CA MET A 145 21.793 10.637 -2.659 1.00 0.15 C ATOM 2201 C MET A 145 20.406 10.432 -3.275 1.00 0.15 C ATOM 2202 O MET A 145 19.857 9.350 -3.230 1.00 0.15 O ATOM 2203 CB MET A 145 21.639 10.839 -1.145 1.00 0.15 C ATOM 2204 CG MET A 145 23.021 10.878 -0.446 1.00 0.13 C ATOM 2205 SD MET A 145 22.970 9.888 1.074 1.00 0.16 S ATOM 2206 CE MET A 145 21.912 10.986 2.051 1.00 0.30 C ATOM 0 H MET A 145 22.547 12.638 -2.646 1.00 0.13 H new ATOM 0 HA MET A 145 22.408 9.759 -2.859 1.00 0.15 H new ATOM 0 HB2 MET A 145 21.103 11.768 -0.951 1.00 0.15 H new ATOM 0 HB3 MET A 145 21.038 10.032 -0.726 1.00 0.15 H new ATOM 0 HG2 MET A 145 23.789 10.492 -1.117 1.00 0.13 H new ATOM 0 HG3 MET A 145 23.291 11.908 -0.211 1.00 0.13 H new ATOM 0 HE1 MET A 145 22.198 10.927 3.101 1.00 0.30 H new ATOM 0 HE2 MET A 145 22.029 12.011 1.700 1.00 0.30 H new ATOM 0 HE3 MET A 145 20.871 10.681 1.941 1.00 0.30 H new ATOM 2216 N THR A 146 19.827 11.457 -3.834 1.00 0.16 N ATOM 2217 CA THR A 146 18.481 11.316 -4.428 1.00 0.17 C ATOM 2218 C THR A 146 18.560 10.463 -5.691 1.00 0.39 C ATOM 2219 O THR A 146 17.872 9.472 -5.839 1.00 0.69 O ATOM 2220 CB THR A 146 17.977 12.736 -4.745 1.00 0.38 C ATOM 2221 OG1 THR A 146 19.028 13.655 -4.499 1.00 0.30 O ATOM 2222 CG2 THR A 146 16.784 13.097 -3.855 1.00 0.60 C ATOM 0 H THR A 146 20.235 12.389 -3.902 1.00 0.16 H new ATOM 0 HA THR A 146 17.793 10.819 -3.744 1.00 0.17 H new ATOM 0 HB THR A 146 17.662 12.778 -5.788 1.00 0.38 H new ATOM 0 HG1 THR A 146 19.504 13.840 -5.336 1.00 0.30 H new ATOM 0 HG21 THR A 146 16.443 14.104 -4.095 1.00 0.60 H new ATOM 0 HG22 THR A 146 15.974 12.389 -4.028 1.00 0.60 H new ATOM 0 HG23 THR A 146 17.085 13.055 -2.808 1.00 0.60 H new