USER MOD reduce.3.24.130724 H: found=0, std=0, add=948, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 950 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 Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= 0.669 K(o=0.67,f=0) USER MOD Single : A 19 TYR OH : rot -10:sc= -0.726! USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= -0.354 X(o=-0.35,f=-0.02) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot -130:sc= -0.14 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 85:sc= -0.405! USER MOD Single : A 39 SER OG : rot 180:sc= -0.973 USER MOD Single : A 49 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00197) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 HIS : no HD1:sc= -1 X(o=-1,f=-0.67) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 GLN : amide:sc= -0.308 K(o=-0.31,f=-2.5!) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 105 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 THR OG1 : rot 180:sc= 0 USER MOD Single : A 122 TYR OH : rot 180:sc= 0 USER MOD Single : A 124 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 127 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 131 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 117 N PHE A 11 3.316 8.360 -3.212 1.00 60.33 N ATOM 118 CA PHE A 11 2.694 7.406 -4.124 1.00 30.44 C ATOM 119 C PHE A 11 3.113 7.679 -5.565 1.00 62.41 C ATOM 120 O PHE A 11 2.363 8.272 -6.341 1.00 5.42 O ATOM 121 CB PHE A 11 1.170 7.471 -4.002 1.00 53.51 C ATOM 122 CG PHE A 11 0.651 6.967 -2.687 1.00 23.41 C ATOM 123 CD1 PHE A 11 0.704 7.764 -1.554 1.00 61.43 C ATOM 124 CD2 PHE A 11 0.111 5.695 -2.582 1.00 34.11 C ATOM 125 CE1 PHE A 11 0.227 7.300 -0.342 1.00 4.23 C ATOM 126 CE2 PHE A 11 -0.368 5.227 -1.372 1.00 42.31 C ATOM 127 CZ PHE A 11 -0.310 6.031 -0.251 1.00 53.13 C ATOM 0 HA PHE A 11 3.031 6.406 -3.850 1.00 30.44 H new ATOM 0 HB2 PHE A 11 0.846 8.503 -4.140 1.00 53.51 H new ATOM 0 HB3 PHE A 11 0.724 6.887 -4.807 1.00 53.51 H new ATOM 0 HD1 PHE A 11 1.122 8.758 -1.619 1.00 61.43 H new ATOM 0 HD2 PHE A 11 0.064 5.062 -3.456 1.00 34.11 H new ATOM 0 HE1 PHE A 11 0.274 7.930 0.534 1.00 4.23 H new ATOM 0 HE2 PHE A 11 -0.787 4.234 -1.304 1.00 42.31 H new ATOM 0 HZ PHE A 11 -0.684 5.668 0.695 1.00 53.13 H new ATOM 137 N THR A 12 4.318 7.239 -5.918 1.00 14.42 N ATOM 138 CA THR A 12 4.838 7.436 -7.265 1.00 34.22 C ATOM 139 C THR A 12 5.253 6.110 -7.894 1.00 4.35 C ATOM 140 O THR A 12 5.174 5.060 -7.257 1.00 41.12 O ATOM 141 CB THR A 12 6.045 8.393 -7.266 1.00 62.22 C ATOM 142 OG1 THR A 12 7.039 7.928 -6.345 1.00 71.23 O ATOM 143 CG2 THR A 12 5.618 9.803 -6.890 1.00 43.11 C ATOM 0 H THR A 12 4.951 6.744 -5.289 1.00 14.42 H new ATOM 0 HA THR A 12 4.034 7.877 -7.854 1.00 34.22 H new ATOM 0 HB THR A 12 6.464 8.414 -8.272 1.00 62.22 H new ATOM 0 HG1 THR A 12 7.804 8.541 -6.352 1.00 71.23 H new ATOM 0 HG21 THR A 12 6.487 10.461 -6.897 1.00 43.11 H new ATOM 0 HG22 THR A 12 4.883 10.165 -7.609 1.00 43.11 H new ATOM 0 HG23 THR A 12 5.177 9.796 -5.893 1.00 43.11 H new ATOM 151 N GLU A 13 5.697 6.168 -9.145 1.00 22.04 N ATOM 152 CA GLU A 13 6.126 4.971 -9.858 1.00 73.41 C ATOM 153 C GLU A 13 7.419 4.417 -9.267 1.00 51.40 C ATOM 154 O GLU A 13 7.659 3.211 -9.292 1.00 2.10 O ATOM 155 CB GLU A 13 6.322 5.277 -11.345 1.00 15.03 C ATOM 156 CG GLU A 13 6.114 4.074 -12.247 1.00 70.14 C ATOM 157 CD GLU A 13 7.225 3.909 -13.266 1.00 25.21 C ATOM 158 OE1 GLU A 13 8.285 3.358 -12.903 1.00 23.53 O ATOM 159 OE2 GLU A 13 7.035 4.332 -14.426 1.00 25.23 O ATOM 0 H GLU A 13 5.769 7.030 -9.685 1.00 22.04 H new ATOM 0 HA GLU A 13 5.346 4.218 -9.749 1.00 73.41 H new ATOM 0 HB2 GLU A 13 5.629 6.065 -11.639 1.00 15.03 H new ATOM 0 HB3 GLU A 13 7.329 5.665 -11.498 1.00 15.03 H new ATOM 0 HG2 GLU A 13 6.050 3.174 -11.636 1.00 70.14 H new ATOM 0 HG3 GLU A 13 5.161 4.175 -12.767 1.00 70.14 H new ATOM 166 N ALA A 14 8.249 5.310 -8.735 1.00 34.21 N ATOM 167 CA ALA A 14 9.516 4.912 -8.136 1.00 13.32 C ATOM 168 C ALA A 14 9.292 4.119 -6.854 1.00 65.50 C ATOM 169 O ALA A 14 9.708 2.964 -6.747 1.00 10.44 O ATOM 170 CB ALA A 14 10.375 6.137 -7.857 1.00 73.13 C ATOM 0 H ALA A 14 8.066 6.313 -8.707 1.00 34.21 H new ATOM 0 HA ALA A 14 10.038 4.268 -8.844 1.00 13.32 H new ATOM 0 HB1 ALA A 14 11.319 5.825 -7.409 1.00 73.13 H new ATOM 0 HB2 ALA A 14 10.573 6.663 -8.791 1.00 73.13 H new ATOM 0 HB3 ALA A 14 9.850 6.801 -7.170 1.00 73.13 H new ATOM 176 N TRP A 15 8.635 4.744 -5.884 1.00 34.53 N ATOM 177 CA TRP A 15 8.357 4.094 -4.607 1.00 72.34 C ATOM 178 C TRP A 15 7.508 2.842 -4.807 1.00 1.34 C ATOM 179 O TRP A 15 7.657 1.859 -4.082 1.00 10.33 O ATOM 180 CB TRP A 15 7.643 5.063 -3.664 1.00 2.34 C ATOM 181 CG TRP A 15 7.483 4.528 -2.273 1.00 31.00 C ATOM 182 CD1 TRP A 15 8.270 4.805 -1.192 1.00 40.32 C ATOM 183 CD2 TRP A 15 6.474 3.622 -1.814 1.00 74.35 C ATOM 184 NE1 TRP A 15 7.811 4.126 -0.090 1.00 15.53 N ATOM 185 CE2 TRP A 15 6.709 3.394 -0.445 1.00 1.35 C ATOM 186 CE3 TRP A 15 5.392 2.983 -2.428 1.00 21.31 C ATOM 187 CZ2 TRP A 15 5.903 2.553 0.319 1.00 1.22 C ATOM 188 CZ3 TRP A 15 4.593 2.149 -1.668 1.00 44.11 C ATOM 189 CH2 TRP A 15 4.851 1.940 -0.307 1.00 45.21 C ATOM 0 H TRP A 15 8.285 5.699 -5.956 1.00 34.53 H new ATOM 0 HA TRP A 15 9.308 3.799 -4.163 1.00 72.34 H new ATOM 0 HB2 TRP A 15 8.202 5.998 -3.624 1.00 2.34 H new ATOM 0 HB3 TRP A 15 6.659 5.297 -4.071 1.00 2.34 H new ATOM 0 HD1 TRP A 15 9.127 5.462 -1.202 1.00 40.32 H new ATOM 0 HE1 TRP A 15 8.224 4.161 0.842 1.00 15.53 H new ATOM 0 HE3 TRP A 15 5.184 3.138 -3.476 1.00 21.31 H new ATOM 0 HZ2 TRP A 15 6.101 2.390 1.368 1.00 1.22 H new ATOM 0 HZ3 TRP A 15 3.755 1.650 -2.132 1.00 44.11 H new ATOM 0 HH2 TRP A 15 4.208 1.283 0.259 1.00 45.21 H new ATOM 200 N ALA A 16 6.620 2.886 -5.795 1.00 3.44 N ATOM 201 CA ALA A 16 5.750 1.754 -6.089 1.00 52.54 C ATOM 202 C ALA A 16 6.561 0.534 -6.513 1.00 42.23 C ATOM 203 O ALA A 16 6.350 -0.568 -6.008 1.00 1.43 O ATOM 204 CB ALA A 16 4.749 2.127 -7.173 1.00 62.22 C ATOM 0 H ALA A 16 6.484 3.692 -6.405 1.00 3.44 H new ATOM 0 HA ALA A 16 5.207 1.498 -5.179 1.00 52.54 H new ATOM 0 HB1 ALA A 16 4.105 1.273 -7.383 1.00 62.22 H new ATOM 0 HB2 ALA A 16 4.140 2.965 -6.833 1.00 62.22 H new ATOM 0 HB3 ALA A 16 5.283 2.410 -8.080 1.00 62.22 H new ATOM 210 N GLN A 17 7.488 0.740 -7.443 1.00 62.25 N ATOM 211 CA GLN A 17 8.330 -0.345 -7.935 1.00 51.32 C ATOM 212 C GLN A 17 9.369 -0.744 -6.892 1.00 42.42 C ATOM 213 O GLN A 17 9.488 -1.915 -6.536 1.00 14.12 O ATOM 214 CB GLN A 17 9.025 0.069 -9.233 1.00 50.30 C ATOM 215 CG GLN A 17 8.068 0.283 -10.394 1.00 71.44 C ATOM 216 CD GLN A 17 8.573 -0.329 -11.687 1.00 50.41 C ATOM 217 OE1 GLN A 17 9.689 -0.048 -12.126 1.00 11.14 O ATOM 218 NE2 GLN A 17 7.751 -1.169 -12.305 1.00 24.31 N ATOM 0 H GLN A 17 7.675 1.647 -7.871 1.00 62.25 H new ATOM 0 HA GLN A 17 7.691 -1.206 -8.132 1.00 51.32 H new ATOM 0 HB2 GLN A 17 9.583 0.989 -9.059 1.00 50.30 H new ATOM 0 HB3 GLN A 17 9.750 -0.697 -9.507 1.00 50.30 H new ATOM 0 HG2 GLN A 17 7.099 -0.150 -10.146 1.00 71.44 H new ATOM 0 HG3 GLN A 17 7.912 1.352 -10.539 1.00 71.44 H new ATOM 0 HE21 GLN A 17 6.835 -1.373 -11.905 1.00 24.31 H new ATOM 0 HE22 GLN A 17 8.036 -1.610 -13.180 1.00 24.31 H new ATOM 227 N ALA A 18 10.121 0.240 -6.407 1.00 73.24 N ATOM 228 CA ALA A 18 11.148 -0.008 -5.405 1.00 22.43 C ATOM 229 C ALA A 18 10.576 -0.751 -4.202 1.00 75.10 C ATOM 230 O ALA A 18 11.247 -1.587 -3.599 1.00 24.15 O ATOM 231 CB ALA A 18 11.783 1.303 -4.964 1.00 4.11 C ATOM 0 H ALA A 18 10.037 1.216 -6.693 1.00 73.24 H new ATOM 0 HA ALA A 18 11.915 -0.638 -5.856 1.00 22.43 H new ATOM 0 HB1 ALA A 18 12.549 1.102 -4.215 1.00 4.11 H new ATOM 0 HB2 ALA A 18 12.237 1.795 -5.824 1.00 4.11 H new ATOM 0 HB3 ALA A 18 11.019 1.952 -4.537 1.00 4.11 H new ATOM 237 N TYR A 19 9.331 -0.439 -3.859 1.00 54.03 N ATOM 238 CA TYR A 19 8.668 -1.075 -2.727 1.00 14.23 C ATOM 239 C TYR A 19 8.358 -2.538 -3.028 1.00 62.32 C ATOM 240 O TYR A 19 8.191 -3.350 -2.117 1.00 11.22 O ATOM 241 CB TYR A 19 7.378 -0.330 -2.380 1.00 73.41 C ATOM 242 CG TYR A 19 6.577 -0.986 -1.278 1.00 5.55 C ATOM 243 CD1 TYR A 19 7.197 -1.450 -0.124 1.00 61.13 C ATOM 244 CD2 TYR A 19 5.201 -1.140 -1.389 1.00 34.32 C ATOM 245 CE1 TYR A 19 6.470 -2.051 0.885 1.00 32.30 C ATOM 246 CE2 TYR A 19 4.465 -1.738 -0.384 1.00 43.02 C ATOM 247 CZ TYR A 19 5.104 -2.193 0.751 1.00 50.44 C ATOM 248 OH TYR A 19 4.376 -2.789 1.754 1.00 10.55 O ATOM 0 H TYR A 19 8.761 0.250 -4.349 1.00 54.03 H new ATOM 0 HA TYR A 19 9.344 -1.034 -1.873 1.00 14.23 H new ATOM 0 HB2 TYR A 19 7.626 0.688 -2.081 1.00 73.41 H new ATOM 0 HB3 TYR A 19 6.759 -0.258 -3.274 1.00 73.41 H new ATOM 0 HD1 TYR A 19 8.266 -1.339 -0.014 1.00 61.13 H new ATOM 0 HD2 TYR A 19 4.697 -0.786 -2.276 1.00 34.32 H new ATOM 0 HE1 TYR A 19 6.968 -2.408 1.774 1.00 32.30 H new ATOM 0 HE2 TYR A 19 3.396 -1.849 -0.486 1.00 43.02 H new ATOM 0 HH TYR A 19 4.986 -3.193 2.406 1.00 10.55 H new ATOM 258 N CYS A 20 8.284 -2.868 -4.313 1.00 12.34 N ATOM 259 CA CYS A 20 7.995 -4.232 -4.738 1.00 32.42 C ATOM 260 C CYS A 20 9.232 -5.116 -4.606 1.00 33.52 C ATOM 261 O CYS A 20 9.127 -6.309 -4.319 1.00 10.42 O ATOM 262 CB CYS A 20 7.497 -4.244 -6.184 1.00 52.31 C ATOM 263 SG CYS A 20 7.064 -5.900 -6.808 1.00 44.23 S ATOM 0 H CYS A 20 8.420 -2.208 -5.079 1.00 12.34 H new ATOM 0 HA CYS A 20 7.214 -4.630 -4.090 1.00 32.42 H new ATOM 0 HB2 CYS A 20 6.622 -3.598 -6.261 1.00 52.31 H new ATOM 0 HB3 CYS A 20 8.267 -3.816 -6.826 1.00 52.31 H new ATOM 268 N ARG A 21 10.402 -4.523 -4.819 1.00 13.11 N ATOM 269 CA ARG A 21 11.659 -5.256 -4.725 1.00 35.14 C ATOM 270 C ARG A 21 12.142 -5.324 -3.279 1.00 50.21 C ATOM 271 O ARG A 21 12.784 -6.292 -2.873 1.00 32.44 O ATOM 272 CB ARG A 21 12.725 -4.595 -5.600 1.00 60.32 C ATOM 273 CG ARG A 21 14.141 -4.785 -5.082 1.00 53.43 C ATOM 274 CD ARG A 21 15.145 -4.864 -6.222 1.00 11.14 C ATOM 275 NE ARG A 21 16.033 -6.016 -6.089 1.00 44.12 N ATOM 276 CZ ARG A 21 16.680 -6.567 -7.111 1.00 55.00 C ATOM 277 NH1 ARG A 21 16.536 -6.075 -8.333 1.00 52.35 N ATOM 278 NH2 ARG A 21 17.471 -7.614 -6.910 1.00 11.52 N ATOM 0 H ARG A 21 10.506 -3.537 -5.058 1.00 13.11 H new ATOM 0 HA ARG A 21 11.486 -6.272 -5.080 1.00 35.14 H new ATOM 0 HB2 ARG A 21 12.659 -5.002 -6.609 1.00 60.32 H new ATOM 0 HB3 ARG A 21 12.514 -3.528 -5.672 1.00 60.32 H new ATOM 0 HG2 ARG A 21 14.402 -3.958 -4.422 1.00 53.43 H new ATOM 0 HG3 ARG A 21 14.193 -5.696 -4.486 1.00 53.43 H new ATOM 0 HD2 ARG A 21 14.612 -4.924 -7.171 1.00 11.14 H new ATOM 0 HD3 ARG A 21 15.738 -3.950 -6.247 1.00 11.14 H new ATOM 0 HE ARG A 21 16.164 -6.420 -5.161 1.00 44.12 H new ATOM 0 HH11 ARG A 21 15.928 -5.272 -8.491 1.00 52.35 H new ATOM 0 HH12 ARG A 21 17.034 -6.500 -9.116 1.00 52.35 H new ATOM 0 HH21 ARG A 21 17.583 -7.996 -5.971 1.00 11.52 H new ATOM 0 HH22 ARG A 21 17.967 -8.036 -7.695 1.00 11.52 H new ATOM 292 N LYS A 22 11.828 -4.289 -2.507 1.00 44.34 N ATOM 293 CA LYS A 22 12.229 -4.229 -1.106 1.00 25.50 C ATOM 294 C LYS A 22 11.565 -5.343 -0.303 1.00 15.41 C ATOM 295 O LYS A 22 12.139 -5.857 0.658 1.00 74.44 O ATOM 296 CB LYS A 22 11.869 -2.868 -0.509 1.00 20.44 C ATOM 297 CG LYS A 22 12.734 -2.476 0.677 1.00 44.13 C ATOM 298 CD LYS A 22 14.066 -1.898 0.227 1.00 65.22 C ATOM 299 CE LYS A 22 14.342 -0.556 0.886 1.00 1.34 C ATOM 300 NZ LYS A 22 15.027 0.387 -0.041 1.00 53.52 N ATOM 0 H LYS A 22 11.297 -3.480 -2.828 1.00 44.34 H new ATOM 0 HA LYS A 22 13.309 -4.364 -1.056 1.00 25.50 H new ATOM 0 HB2 LYS A 22 11.961 -2.106 -1.283 1.00 20.44 H new ATOM 0 HB3 LYS A 22 10.825 -2.882 -0.197 1.00 20.44 H new ATOM 0 HG2 LYS A 22 12.206 -1.744 1.288 1.00 44.13 H new ATOM 0 HG3 LYS A 22 12.909 -3.349 1.306 1.00 44.13 H new ATOM 0 HD2 LYS A 22 14.867 -2.596 0.470 1.00 65.22 H new ATOM 0 HD3 LYS A 22 14.065 -1.779 -0.856 1.00 65.22 H new ATOM 0 HE2 LYS A 22 13.403 -0.117 1.222 1.00 1.34 H new ATOM 0 HE3 LYS A 22 14.959 -0.707 1.772 1.00 1.34 H new ATOM 0 HZ1 LYS A 22 15.197 1.290 0.446 1.00 53.52 H new ATOM 0 HZ2 LYS A 22 15.935 -0.021 -0.342 1.00 53.52 H new ATOM 0 HZ3 LYS A 22 14.428 0.551 -0.875 1.00 53.52 H new ATOM 314 N LEU A 23 10.352 -5.710 -0.702 1.00 13.12 N ATOM 315 CA LEU A 23 9.609 -6.764 -0.019 1.00 54.34 C ATOM 316 C LEU A 23 10.202 -8.135 -0.326 1.00 22.12 C ATOM 317 O LEU A 23 10.211 -9.023 0.526 1.00 52.02 O ATOM 318 CB LEU A 23 8.137 -6.728 -0.435 1.00 32.11 C ATOM 319 CG LEU A 23 7.360 -5.470 -0.047 1.00 2.32 C ATOM 320 CD1 LEU A 23 6.038 -5.407 -0.794 1.00 33.01 C ATOM 321 CD2 LEU A 23 7.128 -5.428 1.457 1.00 43.43 C ATOM 0 H LEU A 23 9.862 -5.294 -1.494 1.00 13.12 H new ATOM 0 HA LEU A 23 9.682 -6.589 1.054 1.00 54.34 H new ATOM 0 HB2 LEU A 23 8.083 -6.844 -1.517 1.00 32.11 H new ATOM 0 HB3 LEU A 23 7.635 -7.590 0.004 1.00 32.11 H new ATOM 0 HG LEU A 23 7.953 -4.600 -0.327 1.00 2.32 H new ATOM 0 HD11 LEU A 23 5.499 -4.505 -0.505 1.00 33.01 H new ATOM 0 HD12 LEU A 23 6.227 -5.388 -1.867 1.00 33.01 H new ATOM 0 HD13 LEU A 23 5.438 -6.283 -0.547 1.00 33.01 H new ATOM 0 HD21 LEU A 23 6.574 -4.526 1.715 1.00 43.43 H new ATOM 0 HD22 LEU A 23 6.556 -6.305 1.762 1.00 43.43 H new ATOM 0 HD23 LEU A 23 8.088 -5.424 1.973 1.00 43.43 H new ATOM 333 N ASN A 24 10.699 -8.299 -1.548 1.00 73.31 N ATOM 334 CA ASN A 24 11.296 -9.563 -1.967 1.00 3.41 C ATOM 335 C ASN A 24 12.519 -9.893 -1.118 1.00 41.11 C ATOM 336 O ASN A 24 12.943 -11.046 -1.048 1.00 31.24 O ATOM 337 CB ASN A 24 11.688 -9.500 -3.444 1.00 72.23 C ATOM 338 CG ASN A 24 10.614 -10.066 -4.352 1.00 73.00 C ATOM 339 OD1 ASN A 24 10.356 -11.270 -4.353 1.00 13.51 O ATOM 340 ND2 ASN A 24 9.980 -9.197 -5.132 1.00 33.02 N ATOM 0 H ASN A 24 10.700 -7.573 -2.265 1.00 73.31 H new ATOM 0 HA ASN A 24 10.556 -10.351 -1.828 1.00 3.41 H new ATOM 0 HB2 ASN A 24 11.885 -8.464 -3.721 1.00 72.23 H new ATOM 0 HB3 ASN A 24 12.616 -10.052 -3.595 1.00 72.23 H new ATOM 0 HD21 ASN A 24 9.247 -9.519 -5.764 1.00 33.02 H new ATOM 0 HD22 ASN A 24 10.226 -8.208 -5.099 1.00 33.02 H new ATOM 347 N GLU A 25 13.080 -8.874 -0.475 1.00 41.10 N ATOM 348 CA GLU A 25 14.255 -9.057 0.369 1.00 74.41 C ATOM 349 C GLU A 25 13.854 -9.530 1.764 1.00 53.41 C ATOM 350 O GLU A 25 14.605 -10.244 2.428 1.00 3.41 O ATOM 351 CB GLU A 25 15.047 -7.752 0.468 1.00 25.02 C ATOM 352 CG GLU A 25 15.387 -7.141 -0.881 1.00 71.42 C ATOM 353 CD GLU A 25 16.873 -6.896 -1.053 1.00 45.23 C ATOM 354 OE1 GLU A 25 17.624 -7.882 -1.202 1.00 22.40 O ATOM 355 OE2 GLU A 25 17.284 -5.717 -1.040 1.00 64.32 O ATOM 0 H GLU A 25 12.740 -7.914 -0.522 1.00 41.10 H new ATOM 0 HA GLU A 25 14.884 -9.821 -0.088 1.00 74.41 H new ATOM 0 HB2 GLU A 25 14.472 -7.031 1.049 1.00 25.02 H new ATOM 0 HB3 GLU A 25 15.971 -7.938 1.016 1.00 25.02 H new ATOM 0 HG2 GLU A 25 15.038 -7.803 -1.674 1.00 71.42 H new ATOM 0 HG3 GLU A 25 14.852 -6.198 -0.994 1.00 71.42 H new ATOM 362 N SER A 26 12.666 -9.124 2.201 1.00 23.31 N ATOM 363 CA SER A 26 12.167 -9.502 3.518 1.00 21.33 C ATOM 364 C SER A 26 11.547 -10.896 3.485 1.00 13.00 C ATOM 365 O SER A 26 10.421 -11.075 3.021 1.00 43.31 O ATOM 366 CB SER A 26 11.135 -8.484 4.006 1.00 14.24 C ATOM 367 OG SER A 26 11.381 -8.114 5.352 1.00 0.13 O ATOM 0 H SER A 26 12.032 -8.534 1.663 1.00 23.31 H new ATOM 0 HA SER A 26 13.010 -9.515 4.209 1.00 21.33 H new ATOM 0 HB2 SER A 26 11.164 -7.599 3.371 1.00 14.24 H new ATOM 0 HB3 SER A 26 10.134 -8.906 3.919 1.00 14.24 H new ATOM 0 HG SER A 26 10.709 -7.461 5.640 1.00 0.13 H new ATOM 373 N GLU A 27 12.291 -11.879 3.981 1.00 65.11 N ATOM 374 CA GLU A 27 11.815 -13.257 4.007 1.00 21.23 C ATOM 375 C GLU A 27 10.591 -13.393 4.907 1.00 72.25 C ATOM 376 O GLU A 27 9.643 -14.106 4.580 1.00 73.44 O ATOM 377 CB GLU A 27 12.924 -14.194 4.491 1.00 22.24 C ATOM 378 CG GLU A 27 12.507 -15.655 4.544 1.00 43.32 C ATOM 379 CD GLU A 27 12.412 -16.283 3.167 1.00 32.53 C ATOM 380 OE1 GLU A 27 11.357 -16.129 2.517 1.00 13.01 O ATOM 381 OE2 GLU A 27 13.391 -16.931 2.741 1.00 52.52 O ATOM 0 H GLU A 27 13.225 -11.747 4.370 1.00 65.11 H new ATOM 0 HA GLU A 27 11.531 -13.535 2.992 1.00 21.23 H new ATOM 0 HB2 GLU A 27 13.786 -14.095 3.831 1.00 22.24 H new ATOM 0 HB3 GLU A 27 13.245 -13.880 5.484 1.00 22.24 H new ATOM 0 HG2 GLU A 27 13.225 -16.213 5.145 1.00 43.32 H new ATOM 0 HG3 GLU A 27 11.542 -15.736 5.044 1.00 43.32 H new ATOM 388 N ALA A 28 10.618 -12.704 6.043 1.00 65.02 N ATOM 389 CA ALA A 28 9.511 -12.745 6.990 1.00 40.44 C ATOM 390 C ALA A 28 8.203 -12.338 6.322 1.00 54.23 C ATOM 391 O ALA A 28 7.178 -13.001 6.484 1.00 23.12 O ATOM 392 CB ALA A 28 9.801 -11.844 8.180 1.00 3.54 C ATOM 0 H ALA A 28 11.396 -12.110 6.330 1.00 65.02 H new ATOM 0 HA ALA A 28 9.405 -13.771 7.343 1.00 40.44 H new ATOM 0 HB1 ALA A 28 8.966 -11.884 8.879 1.00 3.54 H new ATOM 0 HB2 ALA A 28 10.709 -12.182 8.679 1.00 3.54 H new ATOM 0 HB3 ALA A 28 9.937 -10.819 7.836 1.00 3.54 H new ATOM 398 N TYR A 29 8.243 -11.243 5.571 1.00 2.14 N ATOM 399 CA TYR A 29 7.059 -10.744 4.881 1.00 72.35 C ATOM 400 C TYR A 29 6.391 -11.854 4.074 1.00 64.41 C ATOM 401 O TYR A 29 5.225 -12.181 4.293 1.00 11.31 O ATOM 402 CB TYR A 29 7.431 -9.582 3.959 1.00 73.42 C ATOM 403 CG TYR A 29 6.410 -9.317 2.876 1.00 63.23 C ATOM 404 CD1 TYR A 29 5.075 -9.097 3.191 1.00 33.34 C ATOM 405 CD2 TYR A 29 6.780 -9.287 1.537 1.00 23.21 C ATOM 406 CE1 TYR A 29 4.138 -8.855 2.204 1.00 22.13 C ATOM 407 CE2 TYR A 29 5.851 -9.045 0.544 1.00 61.03 C ATOM 408 CZ TYR A 29 4.532 -8.830 0.883 1.00 74.22 C ATOM 409 OH TYR A 29 3.603 -8.589 -0.103 1.00 12.30 O ATOM 0 H TYR A 29 9.083 -10.684 5.424 1.00 2.14 H new ATOM 0 HA TYR A 29 6.354 -10.390 5.633 1.00 72.35 H new ATOM 0 HB2 TYR A 29 7.555 -8.680 4.558 1.00 73.42 H new ATOM 0 HB3 TYR A 29 8.395 -9.792 3.495 1.00 73.42 H new ATOM 0 HD1 TYR A 29 4.764 -9.115 4.225 1.00 33.34 H new ATOM 0 HD2 TYR A 29 7.812 -9.456 1.268 1.00 23.21 H new ATOM 0 HE1 TYR A 29 3.104 -8.687 2.466 1.00 22.13 H new ATOM 0 HE2 TYR A 29 6.156 -9.024 -0.492 1.00 61.03 H new ATOM 0 HH TYR A 29 3.682 -9.273 -0.801 1.00 12.30 H new ATOM 419 N ARG A 30 7.141 -12.431 3.141 1.00 42.04 N ATOM 420 CA ARG A 30 6.624 -13.505 2.300 1.00 55.10 C ATOM 421 C ARG A 30 5.955 -14.583 3.147 1.00 52.01 C ATOM 422 O ARG A 30 4.853 -15.037 2.837 1.00 10.12 O ATOM 423 CB ARG A 30 7.752 -14.120 1.470 1.00 53.23 C ATOM 424 CG ARG A 30 7.293 -15.252 0.564 1.00 3.31 C ATOM 425 CD ARG A 30 8.387 -15.663 -0.409 1.00 20.43 C ATOM 426 NE ARG A 30 7.864 -16.466 -1.512 1.00 5.24 N ATOM 427 CZ ARG A 30 7.688 -17.780 -1.443 1.00 71.54 C ATOM 428 NH1 ARG A 30 7.989 -18.437 -0.332 1.00 21.21 N ATOM 429 NH2 ARG A 30 7.207 -18.442 -2.489 1.00 14.15 N ATOM 0 H ARG A 30 8.109 -12.173 2.948 1.00 42.04 H new ATOM 0 HA ARG A 30 5.879 -13.080 1.628 1.00 55.10 H new ATOM 0 HB2 ARG A 30 8.210 -13.341 0.861 1.00 53.23 H new ATOM 0 HB3 ARG A 30 8.524 -14.494 2.142 1.00 53.23 H new ATOM 0 HG2 ARG A 30 7.002 -16.110 1.170 1.00 3.31 H new ATOM 0 HG3 ARG A 30 6.409 -14.940 0.009 1.00 3.31 H new ATOM 0 HD2 ARG A 30 8.872 -14.772 -0.807 1.00 20.43 H new ATOM 0 HD3 ARG A 30 9.151 -16.231 0.123 1.00 20.43 H new ATOM 0 HE ARG A 30 7.621 -15.992 -2.382 1.00 5.24 H new ATOM 0 HH11 ARG A 30 8.358 -17.933 0.475 1.00 21.21 H new ATOM 0 HH12 ARG A 30 7.852 -19.447 -0.284 1.00 21.21 H new ATOM 0 HH21 ARG A 30 6.973 -17.941 -3.346 1.00 14.15 H new ATOM 0 HH22 ARG A 30 7.072 -19.452 -2.435 1.00 14.15 H new ATOM 443 N LYS A 31 6.629 -14.991 4.217 1.00 71.42 N ATOM 444 CA LYS A 31 6.100 -16.016 5.109 1.00 24.44 C ATOM 445 C LYS A 31 4.770 -15.579 5.714 1.00 51.43 C ATOM 446 O LYS A 31 3.881 -16.398 5.939 1.00 35.32 O ATOM 447 CB LYS A 31 7.105 -16.317 6.225 1.00 54.41 C ATOM 448 CG LYS A 31 8.345 -17.050 5.744 1.00 22.45 C ATOM 449 CD LYS A 31 9.009 -17.821 6.872 1.00 23.34 C ATOM 450 CE LYS A 31 8.770 -19.318 6.742 1.00 2.11 C ATOM 451 NZ LYS A 31 9.857 -20.111 7.380 1.00 33.42 N ATOM 0 H LYS A 31 7.543 -14.627 4.488 1.00 71.42 H new ATOM 0 HA LYS A 31 5.933 -16.920 4.524 1.00 24.44 H new ATOM 0 HB2 LYS A 31 7.406 -15.380 6.694 1.00 54.41 H new ATOM 0 HB3 LYS A 31 6.614 -16.915 6.993 1.00 54.41 H new ATOM 0 HG2 LYS A 31 8.075 -17.737 4.942 1.00 22.45 H new ATOM 0 HG3 LYS A 31 9.053 -16.334 5.325 1.00 22.45 H new ATOM 0 HD2 LYS A 31 10.081 -17.621 6.869 1.00 23.34 H new ATOM 0 HD3 LYS A 31 8.622 -17.472 7.829 1.00 23.34 H new ATOM 0 HE2 LYS A 31 7.816 -19.575 7.202 1.00 2.11 H new ATOM 0 HE3 LYS A 31 8.698 -19.584 5.687 1.00 2.11 H new ATOM 0 HZ1 LYS A 31 9.657 -21.126 7.270 1.00 33.42 H new ATOM 0 HZ2 LYS A 31 10.764 -19.885 6.925 1.00 33.42 H new ATOM 0 HZ3 LYS A 31 9.910 -19.877 8.392 1.00 33.42 H new ATOM 465 N ALA A 32 4.641 -14.282 5.973 1.00 41.15 N ATOM 466 CA ALA A 32 3.418 -13.735 6.548 1.00 43.14 C ATOM 467 C ALA A 32 2.276 -13.764 5.537 1.00 64.45 C ATOM 468 O ALA A 32 1.174 -14.217 5.844 1.00 60.31 O ATOM 469 CB ALA A 32 3.654 -12.315 7.039 1.00 71.30 C ATOM 0 H ALA A 32 5.369 -13.590 5.794 1.00 41.15 H new ATOM 0 HA ALA A 32 3.135 -14.358 7.396 1.00 43.14 H new ATOM 0 HB1 ALA A 32 2.732 -11.920 7.466 1.00 71.30 H new ATOM 0 HB2 ALA A 32 4.434 -12.318 7.800 1.00 71.30 H new ATOM 0 HB3 ALA A 32 3.965 -11.688 6.203 1.00 71.30 H new ATOM 475 N ALA A 33 2.548 -13.277 4.330 1.00 11.35 N ATOM 476 CA ALA A 33 1.543 -13.249 3.274 1.00 5.45 C ATOM 477 C ALA A 33 1.707 -14.433 2.329 1.00 71.25 C ATOM 478 O ALA A 33 1.499 -14.310 1.121 1.00 22.15 O ATOM 479 CB ALA A 33 1.626 -11.939 2.502 1.00 21.04 C ATOM 0 H ALA A 33 3.455 -12.897 4.060 1.00 11.35 H new ATOM 0 HA ALA A 33 0.560 -13.323 3.739 1.00 5.45 H new ATOM 0 HB1 ALA A 33 0.870 -11.931 1.717 1.00 21.04 H new ATOM 0 HB2 ALA A 33 1.452 -11.105 3.181 1.00 21.04 H new ATOM 0 HB3 ALA A 33 2.615 -11.842 2.055 1.00 21.04 H new ATOM 485 N SER A 34 2.081 -15.581 2.885 1.00 22.22 N ATOM 486 CA SER A 34 2.277 -16.788 2.090 1.00 10.21 C ATOM 487 C SER A 34 0.939 -17.359 1.631 1.00 61.31 C ATOM 488 O SER A 34 -0.070 -17.249 2.329 1.00 23.30 O ATOM 489 CB SER A 34 3.043 -17.838 2.898 1.00 1.30 C ATOM 490 OG SER A 34 4.050 -18.451 2.112 1.00 71.52 O ATOM 0 H SER A 34 2.254 -15.701 3.883 1.00 22.22 H new ATOM 0 HA SER A 34 2.860 -16.522 1.208 1.00 10.21 H new ATOM 0 HB2 SER A 34 3.495 -17.370 3.773 1.00 1.30 H new ATOM 0 HB3 SER A 34 2.351 -18.596 3.264 1.00 1.30 H new ATOM 0 HG SER A 34 4.526 -19.117 2.651 1.00 71.52 H new ATOM 496 N THR A 35 0.937 -17.970 0.450 1.00 22.34 N ATOM 497 CA THR A 35 -0.275 -18.559 -0.104 1.00 41.34 C ATOM 498 C THR A 35 -1.198 -17.485 -0.668 1.00 72.34 C ATOM 499 O THR A 35 -2.230 -17.793 -1.266 1.00 42.42 O ATOM 500 CB THR A 35 -1.040 -19.372 0.957 1.00 53.35 C ATOM 501 OG1 THR A 35 -0.172 -19.694 2.049 1.00 73.42 O ATOM 502 CG2 THR A 35 -1.604 -20.651 0.356 1.00 41.33 C ATOM 0 H THR A 35 1.762 -18.070 -0.141 1.00 22.34 H new ATOM 0 HA THR A 35 0.036 -19.227 -0.908 1.00 41.34 H new ATOM 0 HB THR A 35 -1.868 -18.764 1.320 1.00 53.35 H new ATOM 0 HG1 THR A 35 -0.151 -18.946 2.682 1.00 73.42 H new ATOM 0 HG21 THR A 35 -2.140 -21.208 1.124 1.00 41.33 H new ATOM 0 HG22 THR A 35 -2.288 -20.401 -0.455 1.00 41.33 H new ATOM 0 HG23 THR A 35 -0.788 -21.261 -0.032 1.00 41.33 H new ATOM 510 N TRP A 36 -0.821 -16.226 -0.477 1.00 22.41 N ATOM 511 CA TRP A 36 -1.616 -15.107 -0.969 1.00 71.42 C ATOM 512 C TRP A 36 -1.552 -15.021 -2.490 1.00 11.31 C ATOM 513 O TRP A 36 -0.474 -15.095 -3.079 1.00 31.42 O ATOM 514 CB TRP A 36 -1.126 -13.797 -0.350 1.00 50.33 C ATOM 515 CG TRP A 36 -1.732 -12.579 -0.981 1.00 22.41 C ATOM 516 CD1 TRP A 36 -1.455 -12.075 -2.220 1.00 21.22 C ATOM 517 CD2 TRP A 36 -2.713 -11.712 -0.404 1.00 33.54 C ATOM 518 NE1 TRP A 36 -2.206 -10.948 -2.447 1.00 13.41 N ATOM 519 CE2 TRP A 36 -2.987 -10.704 -1.348 1.00 64.54 C ATOM 520 CE3 TRP A 36 -3.390 -11.691 0.819 1.00 10.24 C ATOM 521 CZ2 TRP A 36 -3.906 -9.687 -1.106 1.00 23.22 C ATOM 522 CZ3 TRP A 36 -4.301 -10.681 1.059 1.00 34.11 C ATOM 523 CH2 TRP A 36 -4.554 -9.691 0.099 1.00 12.45 C ATOM 0 H TRP A 36 0.030 -15.954 0.015 1.00 22.41 H new ATOM 0 HA TRP A 36 -2.653 -15.273 -0.677 1.00 71.42 H new ATOM 0 HB2 TRP A 36 -1.356 -13.798 0.715 1.00 50.33 H new ATOM 0 HB3 TRP A 36 -0.041 -13.743 -0.442 1.00 50.33 H new ATOM 0 HD1 TRP A 36 -0.749 -12.500 -2.918 1.00 21.22 H new ATOM 0 HE1 TRP A 36 -2.186 -10.384 -3.296 1.00 13.41 H new ATOM 0 HE3 TRP A 36 -3.204 -12.451 1.563 1.00 10.24 H new ATOM 0 HZ2 TRP A 36 -4.101 -8.922 -1.843 1.00 23.22 H new ATOM 0 HZ3 TRP A 36 -4.827 -10.653 2.002 1.00 34.11 H new ATOM 0 HH2 TRP A 36 -5.275 -8.916 0.315 1.00 12.45 H new ATOM 534 N GLU A 37 -2.711 -14.861 -3.119 1.00 35.42 N ATOM 535 CA GLU A 37 -2.786 -14.766 -4.572 1.00 42.35 C ATOM 536 C GLU A 37 -3.549 -13.514 -4.997 1.00 64.32 C ATOM 537 O GLU A 37 -4.522 -13.121 -4.356 1.00 1.30 O ATOM 538 CB GLU A 37 -3.460 -16.010 -5.154 1.00 61.22 C ATOM 539 CG GLU A 37 -2.712 -17.300 -4.863 1.00 51.21 C ATOM 540 CD GLU A 37 -3.463 -18.530 -5.335 1.00 50.41 C ATOM 541 OE1 GLU A 37 -3.767 -18.611 -6.544 1.00 43.00 O ATOM 542 OE2 GLU A 37 -3.749 -19.409 -4.497 1.00 72.52 O ATOM 0 H GLU A 37 -3.612 -14.794 -2.645 1.00 35.42 H new ATOM 0 HA GLU A 37 -1.769 -14.699 -4.958 1.00 42.35 H new ATOM 0 HB2 GLU A 37 -4.470 -16.087 -4.752 1.00 61.22 H new ATOM 0 HB3 GLU A 37 -3.555 -15.890 -6.233 1.00 61.22 H new ATOM 0 HG2 GLU A 37 -1.736 -17.267 -5.347 1.00 51.21 H new ATOM 0 HG3 GLU A 37 -2.533 -17.378 -3.791 1.00 51.21 H new ATOM 549 N GLY A 38 -3.098 -12.893 -6.082 1.00 45.13 N ATOM 550 CA GLY A 38 -3.747 -11.693 -6.574 1.00 73.44 C ATOM 551 C GLY A 38 -2.878 -10.461 -6.427 1.00 43.41 C ATOM 552 O GLY A 38 -1.753 -10.541 -5.934 1.00 3.13 O ATOM 0 H GLY A 38 -2.294 -13.200 -6.629 1.00 45.13 H new ATOM 0 HA2 GLY A 38 -4.005 -11.828 -7.624 1.00 73.44 H new ATOM 0 HA3 GLY A 38 -4.681 -11.541 -6.033 1.00 73.44 H new ATOM 556 N SER A 39 -3.398 -9.315 -6.857 1.00 73.24 N ATOM 557 CA SER A 39 -2.660 -8.061 -6.776 1.00 22.11 C ATOM 558 C SER A 39 -3.433 -7.028 -5.962 1.00 44.44 C ATOM 559 O SER A 39 -4.663 -6.994 -5.988 1.00 42.21 O ATOM 560 CB SER A 39 -2.381 -7.517 -8.179 1.00 4.05 C ATOM 561 OG SER A 39 -3.586 -7.196 -8.850 1.00 50.25 O ATOM 0 H SER A 39 -4.329 -9.230 -7.265 1.00 73.24 H new ATOM 0 HA SER A 39 -1.712 -8.257 -6.275 1.00 22.11 H new ATOM 0 HB2 SER A 39 -1.752 -6.629 -8.110 1.00 4.05 H new ATOM 0 HB3 SER A 39 -1.826 -8.257 -8.756 1.00 4.05 H new ATOM 0 HG SER A 39 -3.381 -6.849 -9.743 1.00 50.25 H new ATOM 567 N LEU A 40 -2.701 -6.186 -5.240 1.00 72.02 N ATOM 568 CA LEU A 40 -3.315 -5.149 -4.418 1.00 71.21 C ATOM 569 C LEU A 40 -3.152 -3.776 -5.060 1.00 12.12 C ATOM 570 O LEU A 40 -2.225 -3.549 -5.836 1.00 45.00 O ATOM 571 CB LEU A 40 -2.697 -5.148 -3.019 1.00 23.03 C ATOM 572 CG LEU A 40 -3.221 -4.082 -2.055 1.00 60.31 C ATOM 573 CD1 LEU A 40 -4.629 -4.425 -1.595 1.00 2.32 C ATOM 574 CD2 LEU A 40 -2.288 -3.938 -0.861 1.00 70.15 C ATOM 0 H LEU A 40 -1.682 -6.201 -5.207 1.00 72.02 H new ATOM 0 HA LEU A 40 -4.380 -5.367 -4.338 1.00 71.21 H new ATOM 0 HB2 LEU A 40 -2.861 -6.128 -2.570 1.00 23.03 H new ATOM 0 HB3 LEU A 40 -1.619 -5.020 -3.120 1.00 23.03 H new ATOM 0 HG LEU A 40 -3.255 -3.128 -2.581 1.00 60.31 H new ATOM 0 HD11 LEU A 40 -4.985 -3.656 -0.910 1.00 2.32 H new ATOM 0 HD12 LEU A 40 -5.292 -4.477 -2.459 1.00 2.32 H new ATOM 0 HD13 LEU A 40 -4.621 -5.389 -1.086 1.00 2.32 H new ATOM 0 HD21 LEU A 40 -2.676 -3.176 -0.186 1.00 70.15 H new ATOM 0 HD22 LEU A 40 -2.222 -4.890 -0.334 1.00 70.15 H new ATOM 0 HD23 LEU A 40 -1.297 -3.645 -1.207 1.00 70.15 H new ATOM 586 N ALA A 41 -4.059 -2.862 -4.730 1.00 25.04 N ATOM 587 CA ALA A 41 -4.012 -1.509 -5.270 1.00 61.40 C ATOM 588 C ALA A 41 -4.418 -0.483 -4.218 1.00 42.52 C ATOM 589 O ALA A 41 -5.543 -0.505 -3.716 1.00 2.33 O ATOM 590 CB ALA A 41 -4.912 -1.399 -6.493 1.00 62.22 C ATOM 0 H ALA A 41 -4.835 -3.034 -4.091 1.00 25.04 H new ATOM 0 HA ALA A 41 -2.985 -1.298 -5.567 1.00 61.40 H new ATOM 0 HB1 ALA A 41 -4.868 -0.384 -6.887 1.00 62.22 H new ATOM 0 HB2 ALA A 41 -4.575 -2.100 -7.257 1.00 62.22 H new ATOM 0 HB3 ALA A 41 -5.938 -1.635 -6.212 1.00 62.22 H new ATOM 596 N LEU A 42 -3.497 0.415 -3.888 1.00 2.13 N ATOM 597 CA LEU A 42 -3.758 1.450 -2.894 1.00 2.41 C ATOM 598 C LEU A 42 -4.137 2.766 -3.566 1.00 12.04 C ATOM 599 O LEU A 42 -3.271 3.530 -3.991 1.00 21.12 O ATOM 600 CB LEU A 42 -2.530 1.654 -2.005 1.00 73.32 C ATOM 601 CG LEU A 42 -1.959 0.395 -1.351 1.00 14.34 C ATOM 602 CD1 LEU A 42 -0.467 0.551 -1.105 1.00 40.10 C ATOM 603 CD2 LEU A 42 -2.688 0.095 -0.048 1.00 64.13 C ATOM 0 H LEU A 42 -2.562 0.447 -4.294 1.00 2.13 H new ATOM 0 HA LEU A 42 -4.595 1.123 -2.277 1.00 2.41 H new ATOM 0 HB2 LEU A 42 -1.745 2.116 -2.604 1.00 73.32 H new ATOM 0 HB3 LEU A 42 -2.789 2.362 -1.218 1.00 73.32 H new ATOM 0 HG LEU A 42 -2.108 -0.444 -2.030 1.00 14.34 H new ATOM 0 HD11 LEU A 42 -0.078 -0.355 -0.639 1.00 40.10 H new ATOM 0 HD12 LEU A 42 0.043 0.718 -2.054 1.00 40.10 H new ATOM 0 HD13 LEU A 42 -0.294 1.401 -0.445 1.00 40.10 H new ATOM 0 HD21 LEU A 42 -2.269 -0.804 0.404 1.00 64.13 H new ATOM 0 HD22 LEU A 42 -2.570 0.935 0.637 1.00 64.13 H new ATOM 0 HD23 LEU A 42 -3.747 -0.061 -0.251 1.00 64.13 H new ATOM 615 N ALA A 43 -5.438 3.026 -3.656 1.00 34.42 N ATOM 616 CA ALA A 43 -5.932 4.251 -4.271 1.00 65.23 C ATOM 617 C ALA A 43 -5.916 5.409 -3.279 1.00 34.32 C ATOM 618 O ALA A 43 -6.245 5.237 -2.104 1.00 53.13 O ATOM 619 CB ALA A 43 -7.336 4.039 -4.815 1.00 73.54 C ATOM 0 H ALA A 43 -6.168 2.404 -3.310 1.00 34.42 H new ATOM 0 HA ALA A 43 -5.269 4.506 -5.097 1.00 65.23 H new ATOM 0 HB1 ALA A 43 -7.693 4.962 -5.272 1.00 73.54 H new ATOM 0 HB2 ALA A 43 -7.320 3.247 -5.563 1.00 73.54 H new ATOM 0 HB3 ALA A 43 -8.003 3.756 -4.001 1.00 73.54 H new ATOM 625 N VAL A 44 -5.532 6.587 -3.757 1.00 53.33 N ATOM 626 CA VAL A 44 -5.475 7.774 -2.912 1.00 32.21 C ATOM 627 C VAL A 44 -6.379 8.877 -3.450 1.00 31.43 C ATOM 628 O VAL A 44 -6.260 9.283 -4.606 1.00 12.02 O ATOM 629 CB VAL A 44 -4.036 8.313 -2.800 1.00 14.32 C ATOM 630 CG1 VAL A 44 -4.027 9.669 -2.110 1.00 11.43 C ATOM 631 CG2 VAL A 44 -3.152 7.323 -2.057 1.00 54.34 C ATOM 0 H VAL A 44 -5.255 6.746 -4.726 1.00 53.33 H new ATOM 0 HA VAL A 44 -5.822 7.476 -1.923 1.00 32.21 H new ATOM 0 HB VAL A 44 -3.635 8.440 -3.806 1.00 14.32 H new ATOM 0 HG11 VAL A 44 -3.003 10.035 -2.039 1.00 11.43 H new ATOM 0 HG12 VAL A 44 -4.625 10.375 -2.687 1.00 11.43 H new ATOM 0 HG13 VAL A 44 -4.447 9.571 -1.109 1.00 11.43 H new ATOM 0 HG21 VAL A 44 -2.139 7.720 -1.987 1.00 54.34 H new ATOM 0 HG22 VAL A 44 -3.548 7.162 -1.054 1.00 54.34 H new ATOM 0 HG23 VAL A 44 -3.134 6.376 -2.596 1.00 54.34 H new ATOM 641 N ARG A 45 -7.284 9.357 -2.603 1.00 51.44 N ATOM 642 CA ARG A 45 -8.211 10.414 -2.994 1.00 22.22 C ATOM 643 C ARG A 45 -7.455 11.642 -3.493 1.00 53.04 C ATOM 644 O ARG A 45 -6.350 11.946 -3.045 1.00 2.02 O ATOM 645 CB ARG A 45 -9.107 10.797 -1.815 1.00 64.00 C ATOM 646 CG ARG A 45 -10.267 9.840 -1.596 1.00 54.41 C ATOM 647 CD ARG A 45 -10.942 10.080 -0.254 1.00 41.43 C ATOM 648 NE ARG A 45 -12.397 10.023 -0.355 1.00 74.42 N ATOM 649 CZ ARG A 45 -13.118 10.876 -1.073 1.00 72.21 C ATOM 650 NH1 ARG A 45 -12.522 11.847 -1.751 1.00 1.11 N ATOM 651 NH2 ARG A 45 -14.439 10.759 -1.116 1.00 32.13 N ATOM 0 H ARG A 45 -7.395 9.032 -1.643 1.00 51.44 H new ATOM 0 HA ARG A 45 -8.833 10.037 -3.806 1.00 22.22 H new ATOM 0 HB2 ARG A 45 -8.503 10.836 -0.908 1.00 64.00 H new ATOM 0 HB3 ARG A 45 -9.501 11.800 -1.979 1.00 64.00 H new ATOM 0 HG2 ARG A 45 -10.996 9.960 -2.398 1.00 54.41 H new ATOM 0 HG3 ARG A 45 -9.907 8.812 -1.645 1.00 54.41 H new ATOM 0 HD2 ARG A 45 -10.599 9.334 0.463 1.00 41.43 H new ATOM 0 HD3 ARG A 45 -10.643 11.054 0.133 1.00 41.43 H new ATOM 0 HE ARG A 45 -12.887 9.287 0.154 1.00 74.42 H new ATOM 0 HH11 ARG A 45 -11.507 11.940 -1.722 1.00 1.11 H new ATOM 0 HH12 ARG A 45 -13.079 12.501 -2.302 1.00 1.11 H new ATOM 0 HH21 ARG A 45 -14.902 10.013 -0.597 1.00 32.13 H new ATOM 0 HH22 ARG A 45 -14.991 11.415 -1.668 1.00 32.13 H new ATOM 665 N PRO A 46 -8.065 12.365 -4.445 1.00 64.52 N ATOM 666 CA PRO A 46 -7.467 13.571 -5.025 1.00 74.15 C ATOM 667 C PRO A 46 -7.423 14.730 -4.036 1.00 61.20 C ATOM 668 O PRO A 46 -8.301 14.864 -3.182 1.00 43.44 O ATOM 669 CB PRO A 46 -8.401 13.901 -6.193 1.00 51.15 C ATOM 670 CG PRO A 46 -9.710 13.299 -5.815 1.00 62.33 C ATOM 671 CD PRO A 46 -9.383 12.060 -5.026 1.00 51.53 C ATOM 0 HA PRO A 46 -6.430 13.411 -5.321 1.00 74.15 H new ATOM 0 HB2 PRO A 46 -8.488 14.978 -6.338 1.00 51.15 H new ATOM 0 HB3 PRO A 46 -8.028 13.483 -7.128 1.00 51.15 H new ATOM 0 HG2 PRO A 46 -10.303 13.995 -5.221 1.00 62.33 H new ATOM 0 HG3 PRO A 46 -10.297 13.055 -6.700 1.00 62.33 H new ATOM 0 HD2 PRO A 46 -10.128 11.867 -4.254 1.00 51.53 H new ATOM 0 HD3 PRO A 46 -9.347 11.176 -5.662 1.00 51.53 H new ATOM 679 N ASP A 47 -6.397 15.566 -4.156 1.00 33.33 N ATOM 680 CA ASP A 47 -6.240 16.714 -3.272 1.00 45.50 C ATOM 681 C ASP A 47 -4.982 17.503 -3.625 1.00 10.11 C ATOM 682 O ASP A 47 -3.930 16.938 -3.923 1.00 65.25 O ATOM 683 CB ASP A 47 -6.178 16.259 -1.813 1.00 64.31 C ATOM 684 CG ASP A 47 -7.016 17.131 -0.899 1.00 24.14 C ATOM 685 OD1 ASP A 47 -8.018 17.701 -1.377 1.00 12.32 O ATOM 686 OD2 ASP A 47 -6.669 17.241 0.296 1.00 71.34 O ATOM 0 H ASP A 47 -5.662 15.470 -4.857 1.00 33.33 H new ATOM 0 HA ASP A 47 -7.105 17.364 -3.405 1.00 45.50 H new ATOM 0 HB2 ASP A 47 -6.522 15.227 -1.742 1.00 64.31 H new ATOM 0 HB3 ASP A 47 -5.142 16.273 -1.475 1.00 64.31 H new ATOM 691 N PRO A 48 -5.092 18.839 -3.591 1.00 62.55 N ATOM 692 CA PRO A 48 -3.974 19.733 -3.905 1.00 43.10 C ATOM 693 C PRO A 48 -2.885 19.698 -2.838 1.00 33.44 C ATOM 694 O PRO A 48 -1.694 19.743 -3.147 1.00 33.40 O ATOM 695 CB PRO A 48 -4.628 21.116 -3.955 1.00 61.34 C ATOM 696 CG PRO A 48 -5.833 20.996 -3.089 1.00 73.20 C ATOM 697 CD PRO A 48 -6.316 19.580 -3.243 1.00 41.25 C ATOM 0 HA PRO A 48 -3.474 19.449 -4.831 1.00 43.10 H new ATOM 0 HB2 PRO A 48 -3.951 21.887 -3.587 1.00 61.34 H new ATOM 0 HB3 PRO A 48 -4.899 21.389 -4.975 1.00 61.34 H new ATOM 0 HG2 PRO A 48 -5.589 21.214 -2.049 1.00 73.20 H new ATOM 0 HG3 PRO A 48 -6.603 21.706 -3.391 1.00 73.20 H new ATOM 0 HD2 PRO A 48 -6.764 19.206 -2.323 1.00 41.25 H new ATOM 0 HD3 PRO A 48 -7.072 19.496 -4.023 1.00 41.25 H new ATOM 705 N LYS A 49 -3.301 19.616 -1.578 1.00 20.14 N ATOM 706 CA LYS A 49 -2.362 19.573 -0.463 1.00 32.04 C ATOM 707 C LYS A 49 -1.148 18.717 -0.807 1.00 63.13 C ATOM 708 O LYS A 49 -0.028 19.017 -0.394 1.00 41.34 O ATOM 709 CB LYS A 49 -3.050 19.022 0.788 1.00 34.41 C ATOM 710 CG LYS A 49 -2.778 19.836 2.041 1.00 3.31 C ATOM 711 CD LYS A 49 -3.920 19.727 3.036 1.00 55.32 C ATOM 712 CE LYS A 49 -3.704 20.637 4.236 1.00 71.13 C ATOM 713 NZ LYS A 49 -2.591 20.158 5.102 1.00 55.12 N ATOM 0 H LYS A 49 -4.283 19.578 -1.304 1.00 20.14 H new ATOM 0 HA LYS A 49 -2.023 20.590 -0.266 1.00 32.04 H new ATOM 0 HB2 LYS A 49 -4.126 18.986 0.615 1.00 34.41 H new ATOM 0 HB3 LYS A 49 -2.719 17.996 0.952 1.00 34.41 H new ATOM 0 HG2 LYS A 49 -1.855 19.491 2.506 1.00 3.31 H new ATOM 0 HG3 LYS A 49 -2.628 20.881 1.771 1.00 3.31 H new ATOM 0 HD2 LYS A 49 -4.858 19.987 2.545 1.00 55.32 H new ATOM 0 HD3 LYS A 49 -4.013 18.695 3.373 1.00 55.32 H new ATOM 0 HE2 LYS A 49 -3.486 21.648 3.891 1.00 71.13 H new ATOM 0 HE3 LYS A 49 -4.622 20.691 4.821 1.00 71.13 H new ATOM 0 HZ1 LYS A 49 -2.487 20.795 5.917 1.00 55.12 H new ATOM 0 HZ2 LYS A 49 -2.802 19.197 5.438 1.00 55.12 H new ATOM 0 HZ3 LYS A 49 -1.706 20.147 4.556 1.00 55.12 H new ATOM 727 N ALA A 50 -1.377 17.651 -1.567 1.00 53.44 N ATOM 728 CA ALA A 50 -0.301 16.754 -1.969 1.00 61.34 C ATOM 729 C ALA A 50 0.190 17.082 -3.375 1.00 40.25 C ATOM 730 O ALA A 50 1.358 16.871 -3.702 1.00 33.33 O ATOM 731 CB ALA A 50 -0.764 15.307 -1.895 1.00 31.13 C ATOM 0 H ALA A 50 -2.298 17.388 -1.917 1.00 53.44 H new ATOM 0 HA ALA A 50 0.531 16.893 -1.279 1.00 61.34 H new ATOM 0 HB1 ALA A 50 0.050 14.649 -2.198 1.00 31.13 H new ATOM 0 HB2 ALA A 50 -1.060 15.071 -0.873 1.00 31.13 H new ATOM 0 HB3 ALA A 50 -1.615 15.163 -2.561 1.00 31.13 H new ATOM 737 N GLY A 51 -0.711 17.600 -4.207 1.00 25.43 N ATOM 738 CA GLY A 51 -0.349 17.947 -5.569 1.00 31.12 C ATOM 739 C GLY A 51 -0.945 16.995 -6.587 1.00 42.11 C ATOM 740 O GLY A 51 -0.297 16.648 -7.576 1.00 53.32 O ATOM 0 H GLY A 51 -1.684 17.785 -3.961 1.00 25.43 H new ATOM 0 HA2 GLY A 51 -0.685 18.961 -5.784 1.00 31.12 H new ATOM 0 HA3 GLY A 51 0.737 17.944 -5.665 1.00 31.12 H new ATOM 744 N PHE A 52 -2.180 16.570 -6.346 1.00 14.13 N ATOM 745 CA PHE A 52 -2.862 15.650 -7.249 1.00 25.21 C ATOM 746 C PHE A 52 -4.371 15.867 -7.208 1.00 73.42 C ATOM 747 O PHE A 52 -5.109 15.155 -6.525 1.00 42.12 O ATOM 748 CB PHE A 52 -2.534 14.201 -6.879 1.00 4.40 C ATOM 749 CG PHE A 52 -1.098 13.832 -7.121 1.00 42.44 C ATOM 750 CD1 PHE A 52 -0.637 13.596 -8.407 1.00 5.13 C ATOM 751 CD2 PHE A 52 -0.210 13.720 -6.064 1.00 63.45 C ATOM 752 CE1 PHE A 52 0.684 13.256 -8.633 1.00 51.44 C ATOM 753 CE2 PHE A 52 1.112 13.381 -6.285 1.00 65.31 C ATOM 754 CZ PHE A 52 1.559 13.148 -7.571 1.00 33.41 C ATOM 0 H PHE A 52 -2.730 16.848 -5.533 1.00 14.13 H new ATOM 0 HA PHE A 52 -2.511 15.848 -8.262 1.00 25.21 H new ATOM 0 HB2 PHE A 52 -2.770 14.040 -5.827 1.00 4.40 H new ATOM 0 HB3 PHE A 52 -3.175 13.533 -7.455 1.00 4.40 H new ATOM 0 HD1 PHE A 52 -1.317 13.679 -9.242 1.00 5.13 H new ATOM 0 HD2 PHE A 52 -0.554 13.899 -5.056 1.00 63.45 H new ATOM 0 HE1 PHE A 52 1.031 13.075 -9.640 1.00 51.44 H new ATOM 0 HE2 PHE A 52 1.795 13.298 -5.452 1.00 65.31 H new ATOM 0 HZ PHE A 52 2.591 12.882 -7.745 1.00 33.41 H new ATOM 764 N PRO A 53 -4.844 16.874 -7.958 1.00 33.22 N ATOM 765 CA PRO A 53 -6.270 17.209 -8.024 1.00 72.34 C ATOM 766 C PRO A 53 -7.080 16.149 -8.764 1.00 32.05 C ATOM 767 O PRO A 53 -8.297 16.272 -8.909 1.00 62.12 O ATOM 768 CB PRO A 53 -6.288 18.530 -8.797 1.00 21.11 C ATOM 769 CG PRO A 53 -5.043 18.507 -9.615 1.00 2.55 C ATOM 770 CD PRO A 53 -4.024 17.763 -8.797 1.00 21.52 C ATOM 0 HA PRO A 53 -6.720 17.272 -7.033 1.00 72.34 H new ATOM 0 HB2 PRO A 53 -7.174 18.608 -9.427 1.00 21.11 H new ATOM 0 HB3 PRO A 53 -6.301 19.384 -8.120 1.00 21.11 H new ATOM 0 HG2 PRO A 53 -5.213 18.012 -10.571 1.00 2.55 H new ATOM 0 HG3 PRO A 53 -4.703 19.519 -9.836 1.00 2.55 H new ATOM 0 HD2 PRO A 53 -3.336 17.199 -9.427 1.00 21.52 H new ATOM 0 HD3 PRO A 53 -3.420 18.441 -8.194 1.00 21.52 H new ATOM 778 N LYS A 54 -6.399 15.108 -9.228 1.00 23.24 N ATOM 779 CA LYS A 54 -7.055 14.024 -9.950 1.00 51.32 C ATOM 780 C LYS A 54 -7.030 12.734 -9.137 1.00 20.11 C ATOM 781 O LYS A 54 -8.026 12.016 -9.063 1.00 15.23 O ATOM 782 CB LYS A 54 -6.375 13.800 -11.303 1.00 73.42 C ATOM 783 CG LYS A 54 -7.099 12.802 -12.190 1.00 73.30 C ATOM 784 CD LYS A 54 -8.595 13.066 -12.221 1.00 51.33 C ATOM 785 CE LYS A 54 -9.271 12.310 -13.354 1.00 35.54 C ATOM 786 NZ LYS A 54 -10.468 13.033 -13.867 1.00 72.10 N ATOM 0 H LYS A 54 -5.392 14.991 -9.117 1.00 23.24 H new ATOM 0 HA LYS A 54 -8.094 14.308 -10.115 1.00 51.32 H new ATOM 0 HB2 LYS A 54 -6.303 14.753 -11.826 1.00 73.42 H new ATOM 0 HB3 LYS A 54 -5.356 13.451 -11.135 1.00 73.42 H new ATOM 0 HG2 LYS A 54 -6.698 12.856 -13.202 1.00 73.30 H new ATOM 0 HG3 LYS A 54 -6.915 11.791 -11.827 1.00 73.30 H new ATOM 0 HD2 LYS A 54 -9.038 12.770 -11.270 1.00 51.33 H new ATOM 0 HD3 LYS A 54 -8.775 14.135 -12.337 1.00 51.33 H new ATOM 0 HE2 LYS A 54 -8.560 12.162 -14.167 1.00 35.54 H new ATOM 0 HE3 LYS A 54 -9.566 11.321 -13.005 1.00 35.54 H new ATOM 0 HZ1 LYS A 54 -10.900 12.485 -14.638 1.00 72.10 H new ATOM 0 HZ2 LYS A 54 -11.158 13.152 -13.098 1.00 72.10 H new ATOM 0 HZ3 LYS A 54 -10.183 13.967 -14.224 1.00 72.10 H new ATOM 800 N GLY A 55 -5.885 12.447 -8.526 1.00 25.10 N ATOM 801 CA GLY A 55 -5.752 11.244 -7.725 1.00 34.01 C ATOM 802 C GLY A 55 -4.540 10.419 -8.112 1.00 51.22 C ATOM 803 O GLY A 55 -3.838 10.746 -9.069 1.00 54.04 O ATOM 0 H GLY A 55 -5.047 13.026 -8.571 1.00 25.10 H new ATOM 0 HA2 GLY A 55 -5.680 11.518 -6.673 1.00 34.01 H new ATOM 0 HA3 GLY A 55 -6.651 10.637 -7.835 1.00 34.01 H new ATOM 807 N VAL A 56 -4.293 9.348 -7.366 1.00 10.22 N ATOM 808 CA VAL A 56 -3.157 8.474 -7.636 1.00 0.23 C ATOM 809 C VAL A 56 -3.316 7.133 -6.931 1.00 22.43 C ATOM 810 O VAL A 56 -3.858 7.059 -5.829 1.00 34.03 O ATOM 811 CB VAL A 56 -1.832 9.122 -7.190 1.00 74.34 C ATOM 812 CG1 VAL A 56 -1.813 9.315 -5.682 1.00 13.33 C ATOM 813 CG2 VAL A 56 -0.649 8.280 -7.643 1.00 75.40 C ATOM 0 H VAL A 56 -4.864 9.064 -6.570 1.00 10.22 H new ATOM 0 HA VAL A 56 -3.130 8.314 -8.714 1.00 0.23 H new ATOM 0 HB VAL A 56 -1.751 10.103 -7.658 1.00 74.34 H new ATOM 0 HG11 VAL A 56 -0.870 9.774 -5.386 1.00 13.33 H new ATOM 0 HG12 VAL A 56 -2.639 9.962 -5.388 1.00 13.33 H new ATOM 0 HG13 VAL A 56 -1.916 8.348 -5.190 1.00 13.33 H new ATOM 0 HG21 VAL A 56 0.279 8.752 -7.320 1.00 75.40 H new ATOM 0 HG22 VAL A 56 -0.722 7.285 -7.204 1.00 75.40 H new ATOM 0 HG23 VAL A 56 -0.655 8.199 -8.730 1.00 75.40 H new ATOM 823 N ALA A 57 -2.839 6.071 -7.574 1.00 3.42 N ATOM 824 CA ALA A 57 -2.926 4.731 -7.007 1.00 44.11 C ATOM 825 C ALA A 57 -1.585 4.012 -7.092 1.00 64.22 C ATOM 826 O ALA A 57 -0.698 4.417 -7.844 1.00 65.53 O ATOM 827 CB ALA A 57 -4.004 3.927 -7.718 1.00 12.53 C ATOM 0 H ALA A 57 -2.388 6.113 -8.488 1.00 3.42 H new ATOM 0 HA ALA A 57 -3.193 4.825 -5.954 1.00 44.11 H new ATOM 0 HB1 ALA A 57 -4.058 2.928 -7.285 1.00 12.53 H new ATOM 0 HB2 ALA A 57 -4.966 4.426 -7.602 1.00 12.53 H new ATOM 0 HB3 ALA A 57 -3.761 3.850 -8.778 1.00 12.53 H new ATOM 833 N VAL A 58 -1.441 2.942 -6.316 1.00 33.44 N ATOM 834 CA VAL A 58 -0.208 2.165 -6.304 1.00 51.15 C ATOM 835 C VAL A 58 -0.500 0.669 -6.359 1.00 2.42 C ATOM 836 O VAL A 58 -1.049 0.098 -5.417 1.00 62.52 O ATOM 837 CB VAL A 58 0.633 2.467 -5.049 1.00 71.42 C ATOM 838 CG1 VAL A 58 1.697 1.399 -4.850 1.00 61.13 C ATOM 839 CG2 VAL A 58 1.264 3.847 -5.151 1.00 65.11 C ATOM 0 H VAL A 58 -2.164 2.594 -5.687 1.00 33.44 H new ATOM 0 HA VAL A 58 0.357 2.454 -7.190 1.00 51.15 H new ATOM 0 HB VAL A 58 -0.025 2.457 -4.180 1.00 71.42 H new ATOM 0 HG11 VAL A 58 2.281 1.629 -3.959 1.00 61.13 H new ATOM 0 HG12 VAL A 58 1.219 0.427 -4.729 1.00 61.13 H new ATOM 0 HG13 VAL A 58 2.355 1.374 -5.719 1.00 61.13 H new ATOM 0 HG21 VAL A 58 1.854 4.044 -4.256 1.00 65.11 H new ATOM 0 HG22 VAL A 58 1.910 3.888 -6.028 1.00 65.11 H new ATOM 0 HG23 VAL A 58 0.481 4.599 -5.242 1.00 65.11 H new ATOM 849 N VAL A 59 -0.128 0.041 -7.470 1.00 21.44 N ATOM 850 CA VAL A 59 -0.348 -1.390 -7.648 1.00 55.00 C ATOM 851 C VAL A 59 0.813 -2.199 -7.082 1.00 10.02 C ATOM 852 O VAL A 59 1.955 -1.739 -7.062 1.00 51.43 O ATOM 853 CB VAL A 59 -0.533 -1.748 -9.134 1.00 23.40 C ATOM 854 CG1 VAL A 59 -1.002 -3.188 -9.282 1.00 64.23 C ATOM 855 CG2 VAL A 59 -1.511 -0.789 -9.796 1.00 71.00 C ATOM 0 H VAL A 59 0.327 0.500 -8.260 1.00 21.44 H new ATOM 0 HA VAL A 59 -1.260 -1.640 -7.105 1.00 55.00 H new ATOM 0 HB VAL A 59 0.430 -1.651 -9.635 1.00 23.40 H new ATOM 0 HG11 VAL A 59 -1.127 -3.423 -10.339 1.00 64.23 H new ATOM 0 HG12 VAL A 59 -0.261 -3.859 -8.847 1.00 64.23 H new ATOM 0 HG13 VAL A 59 -1.954 -3.315 -8.767 1.00 64.23 H new ATOM 0 HG21 VAL A 59 -1.629 -1.057 -10.846 1.00 71.00 H new ATOM 0 HG22 VAL A 59 -2.477 -0.851 -9.295 1.00 71.00 H new ATOM 0 HG23 VAL A 59 -1.128 0.229 -9.723 1.00 71.00 H new ATOM 865 N LEU A 60 0.514 -3.409 -6.621 1.00 31.22 N ATOM 866 CA LEU A 60 1.533 -4.284 -6.053 1.00 62.45 C ATOM 867 C LEU A 60 1.220 -5.748 -6.349 1.00 71.03 C ATOM 868 O LEU A 60 0.619 -6.443 -5.529 1.00 63.43 O ATOM 869 CB LEU A 60 1.636 -4.070 -4.543 1.00 1.44 C ATOM 870 CG LEU A 60 1.997 -2.654 -4.089 1.00 61.42 C ATOM 871 CD1 LEU A 60 1.557 -2.425 -2.652 1.00 23.43 C ATOM 872 CD2 LEU A 60 3.493 -2.413 -4.236 1.00 63.11 C ATOM 0 H LEU A 60 -0.426 -3.806 -6.630 1.00 31.22 H new ATOM 0 HA LEU A 60 2.488 -4.034 -6.515 1.00 62.45 H new ATOM 0 HB2 LEU A 60 0.682 -4.343 -4.092 1.00 1.44 H new ATOM 0 HB3 LEU A 60 2.384 -4.758 -4.149 1.00 1.44 H new ATOM 0 HG LEU A 60 1.470 -1.943 -4.725 1.00 61.42 H new ATOM 0 HD11 LEU A 60 1.822 -1.413 -2.347 1.00 23.43 H new ATOM 0 HD12 LEU A 60 0.477 -2.555 -2.577 1.00 23.43 H new ATOM 0 HD13 LEU A 60 2.055 -3.143 -2.000 1.00 23.43 H new ATOM 0 HD21 LEU A 60 3.732 -1.401 -3.909 1.00 63.11 H new ATOM 0 HD22 LEU A 60 4.039 -3.131 -3.624 1.00 63.11 H new ATOM 0 HD23 LEU A 60 3.780 -2.534 -5.281 1.00 63.11 H new ATOM 884 N ASP A 61 1.632 -6.210 -7.524 1.00 45.53 N ATOM 885 CA ASP A 61 1.399 -7.592 -7.928 1.00 2.14 C ATOM 886 C ASP A 61 2.156 -8.558 -7.022 1.00 2.44 C ATOM 887 O ASP A 61 3.376 -8.696 -7.125 1.00 20.52 O ATOM 888 CB ASP A 61 1.824 -7.799 -9.383 1.00 31.42 C ATOM 889 CG ASP A 61 2.189 -9.240 -9.679 1.00 32.42 C ATOM 890 OD1 ASP A 61 1.680 -10.138 -8.975 1.00 30.32 O ATOM 891 OD2 ASP A 61 2.981 -9.471 -10.616 1.00 10.45 O ATOM 0 H ASP A 61 2.129 -5.647 -8.214 1.00 45.53 H new ATOM 0 HA ASP A 61 0.332 -7.796 -7.836 1.00 2.14 H new ATOM 0 HB2 ASP A 61 1.014 -7.489 -10.043 1.00 31.42 H new ATOM 0 HB3 ASP A 61 2.678 -7.158 -9.604 1.00 31.42 H new ATOM 896 N LEU A 62 1.426 -9.221 -6.132 1.00 73.42 N ATOM 897 CA LEU A 62 2.028 -10.174 -5.206 1.00 31.21 C ATOM 898 C LEU A 62 1.826 -11.606 -5.689 1.00 71.34 C ATOM 899 O LEU A 62 0.971 -11.872 -6.535 1.00 53.44 O ATOM 900 CB LEU A 62 1.428 -10.006 -3.809 1.00 11.34 C ATOM 901 CG LEU A 62 1.175 -8.568 -3.356 1.00 4.23 C ATOM 902 CD1 LEU A 62 0.622 -8.544 -1.940 1.00 1.13 C ATOM 903 CD2 LEU A 62 2.455 -7.748 -3.444 1.00 24.43 C ATOM 0 H LEU A 62 0.416 -9.116 -6.032 1.00 73.42 H new ATOM 0 HA LEU A 62 3.098 -9.973 -5.162 1.00 31.21 H new ATOM 0 HB2 LEU A 62 0.483 -10.548 -3.774 1.00 11.34 H new ATOM 0 HB3 LEU A 62 2.095 -10.480 -3.089 1.00 11.34 H new ATOM 0 HG LEU A 62 0.435 -8.123 -4.021 1.00 4.23 H new ATOM 0 HD11 LEU A 62 0.448 -7.512 -1.635 1.00 1.13 H new ATOM 0 HD12 LEU A 62 -0.318 -9.095 -1.907 1.00 1.13 H new ATOM 0 HD13 LEU A 62 1.339 -9.007 -1.262 1.00 1.13 H new ATOM 0 HD21 LEU A 62 2.256 -6.727 -3.118 1.00 24.43 H new ATOM 0 HD22 LEU A 62 3.216 -8.192 -2.803 1.00 24.43 H new ATOM 0 HD23 LEU A 62 2.810 -7.737 -4.475 1.00 24.43 H new ATOM 915 N TRP A 63 2.614 -12.526 -5.147 1.00 43.20 N ATOM 916 CA TRP A 63 2.520 -13.932 -5.523 1.00 33.44 C ATOM 917 C TRP A 63 3.136 -14.824 -4.450 1.00 41.02 C ATOM 918 O TRP A 63 4.345 -15.059 -4.444 1.00 42.24 O ATOM 919 CB TRP A 63 3.215 -14.171 -6.864 1.00 52.30 C ATOM 920 CG TRP A 63 2.372 -13.795 -8.044 1.00 64.34 C ATOM 921 CD1 TRP A 63 2.530 -12.704 -8.850 1.00 60.23 C ATOM 922 CD2 TRP A 63 1.239 -14.510 -8.551 1.00 31.31 C ATOM 923 NE1 TRP A 63 1.563 -12.697 -9.827 1.00 62.31 N ATOM 924 CE2 TRP A 63 0.760 -13.795 -9.666 1.00 31.24 C ATOM 925 CE3 TRP A 63 0.585 -15.686 -8.171 1.00 53.23 C ATOM 926 CZ2 TRP A 63 -0.343 -14.218 -10.402 1.00 34.42 C ATOM 927 CZ3 TRP A 63 -0.511 -16.103 -8.903 1.00 63.22 C ATOM 928 CH2 TRP A 63 -0.966 -15.372 -10.009 1.00 30.24 C ATOM 0 H TRP A 63 3.326 -12.324 -4.445 1.00 43.20 H new ATOM 0 HA TRP A 63 1.465 -14.187 -5.619 1.00 33.44 H new ATOM 0 HB2 TRP A 63 4.142 -13.599 -6.892 1.00 52.30 H new ATOM 0 HB3 TRP A 63 3.487 -15.224 -6.942 1.00 52.30 H new ATOM 0 HD1 TRP A 63 3.301 -11.957 -8.737 1.00 60.23 H new ATOM 0 HE1 TRP A 63 1.460 -11.989 -10.554 1.00 62.31 H new ATOM 0 HE3 TRP A 63 0.930 -16.258 -7.322 1.00 53.23 H new ATOM 0 HZ2 TRP A 63 -0.695 -13.655 -11.254 1.00 34.42 H new ATOM 0 HZ3 TRP A 63 -1.026 -17.008 -8.618 1.00 63.22 H new ATOM 0 HH2 TRP A 63 -1.824 -15.726 -10.561 1.00 30.24 H new ATOM 939 N HIS A 64 2.299 -15.318 -3.544 1.00 63.20 N ATOM 940 CA HIS A 64 2.763 -16.186 -2.467 1.00 35.41 C ATOM 941 C HIS A 64 3.600 -15.403 -1.462 1.00 23.13 C ATOM 942 O HIS A 64 4.639 -15.875 -1.002 1.00 43.12 O ATOM 943 CB HIS A 64 3.580 -17.346 -3.035 1.00 21.42 C ATOM 944 CG HIS A 64 3.053 -17.872 -4.334 1.00 54.22 C ATOM 945 ND1 HIS A 64 3.862 -18.405 -5.315 1.00 53.41 N ATOM 946 CD2 HIS A 64 1.787 -17.946 -4.811 1.00 21.14 C ATOM 947 CE1 HIS A 64 3.118 -18.783 -6.340 1.00 53.23 C ATOM 948 NE2 HIS A 64 1.855 -18.516 -6.059 1.00 3.41 N ATOM 0 H HIS A 64 1.296 -15.132 -3.534 1.00 63.20 H new ATOM 0 HA HIS A 64 1.889 -16.585 -1.953 1.00 35.41 H new ATOM 0 HB2 HIS A 64 4.610 -17.019 -3.176 1.00 21.42 H new ATOM 0 HB3 HIS A 64 3.600 -18.156 -2.306 1.00 21.42 H new ATOM 0 HD2 HIS A 64 0.891 -17.618 -4.304 1.00 21.14 H new ATOM 0 HE1 HIS A 64 3.481 -19.233 -7.252 1.00 53.23 H new ATOM 0 HE2 HIS A 64 1.060 -18.703 -6.670 1.00 3.41 H new ATOM 957 N GLY A 65 3.141 -14.202 -1.124 1.00 10.40 N ATOM 958 CA GLY A 65 3.860 -13.371 -0.175 1.00 61.43 C ATOM 959 C GLY A 65 5.015 -12.628 -0.815 1.00 64.13 C ATOM 960 O GLY A 65 5.556 -11.688 -0.233 1.00 54.24 O ATOM 0 H GLY A 65 2.283 -13.789 -1.491 1.00 10.40 H new ATOM 0 HA2 GLY A 65 3.171 -12.652 0.269 1.00 61.43 H new ATOM 0 HA3 GLY A 65 4.237 -13.994 0.636 1.00 61.43 H new ATOM 964 N ALA A 66 5.397 -13.051 -2.016 1.00 62.22 N ATOM 965 CA ALA A 66 6.495 -12.418 -2.735 1.00 43.11 C ATOM 966 C ALA A 66 5.974 -11.491 -3.828 1.00 44.51 C ATOM 967 O ALA A 66 5.034 -11.829 -4.548 1.00 12.14 O ATOM 968 CB ALA A 66 7.414 -13.475 -3.331 1.00 42.51 C ATOM 0 H ALA A 66 4.962 -13.829 -2.511 1.00 62.22 H new ATOM 0 HA ALA A 66 7.063 -11.816 -2.025 1.00 43.11 H new ATOM 0 HB1 ALA A 66 8.230 -12.988 -3.865 1.00 42.51 H new ATOM 0 HB2 ALA A 66 7.822 -14.095 -2.532 1.00 42.51 H new ATOM 0 HB3 ALA A 66 6.849 -14.100 -4.023 1.00 42.51 H new ATOM 974 N CYS A 67 6.590 -10.319 -3.946 1.00 2.22 N ATOM 975 CA CYS A 67 6.188 -9.341 -4.950 1.00 62.10 C ATOM 976 C CYS A 67 6.612 -9.788 -6.346 1.00 32.54 C ATOM 977 O CYS A 67 7.325 -10.780 -6.501 1.00 74.24 O ATOM 978 CB CYS A 67 6.798 -7.974 -4.634 1.00 25.21 C ATOM 979 SG CYS A 67 5.826 -6.565 -5.255 1.00 15.14 S ATOM 0 H CYS A 67 7.370 -10.024 -3.358 1.00 2.22 H new ATOM 0 HA CYS A 67 5.101 -9.261 -4.927 1.00 62.10 H new ATOM 0 HB2 CYS A 67 6.908 -7.878 -3.554 1.00 25.21 H new ATOM 0 HB3 CYS A 67 7.800 -7.927 -5.062 1.00 25.21 H new ATOM 984 N ARG A 68 6.169 -9.051 -7.359 1.00 13.14 N ATOM 985 CA ARG A 68 6.501 -9.372 -8.741 1.00 15.54 C ATOM 986 C ARG A 68 6.423 -8.127 -9.621 1.00 61.32 C ATOM 987 O ARG A 68 7.334 -7.848 -10.400 1.00 71.21 O ATOM 988 CB ARG A 68 5.556 -10.449 -9.278 1.00 51.11 C ATOM 989 CG ARG A 68 5.739 -10.736 -10.759 1.00 72.23 C ATOM 990 CD ARG A 68 6.789 -11.810 -10.992 1.00 63.52 C ATOM 991 NE ARG A 68 6.971 -12.100 -12.412 1.00 52.45 N ATOM 992 CZ ARG A 68 7.991 -12.801 -12.896 1.00 13.03 C ATOM 993 NH1 ARG A 68 8.915 -13.281 -12.077 1.00 23.35 N ATOM 994 NH2 ARG A 68 8.086 -13.021 -14.201 1.00 21.42 N ATOM 0 H ARG A 68 5.579 -8.227 -7.248 1.00 13.14 H new ATOM 0 HA ARG A 68 7.523 -9.750 -8.765 1.00 15.54 H new ATOM 0 HB2 ARG A 68 5.712 -11.370 -8.716 1.00 51.11 H new ATOM 0 HB3 ARG A 68 4.526 -10.138 -9.101 1.00 51.11 H new ATOM 0 HG2 ARG A 68 4.789 -11.054 -11.189 1.00 72.23 H new ATOM 0 HG3 ARG A 68 6.032 -9.821 -11.275 1.00 72.23 H new ATOM 0 HD2 ARG A 68 7.738 -11.488 -10.563 1.00 63.52 H new ATOM 0 HD3 ARG A 68 6.497 -12.722 -10.471 1.00 63.52 H new ATOM 0 HE ARG A 68 6.276 -11.745 -13.069 1.00 52.45 H new ATOM 0 HH11 ARG A 68 8.844 -13.113 -11.073 1.00 23.35 H new ATOM 0 HH12 ARG A 68 9.697 -13.819 -12.450 1.00 23.35 H new ATOM 0 HH21 ARG A 68 7.376 -12.652 -14.833 1.00 21.42 H new ATOM 0 HH22 ARG A 68 8.869 -13.559 -14.572 1.00 21.42 H new ATOM 1008 N GLY A 69 5.329 -7.384 -9.492 1.00 35.33 N ATOM 1009 CA GLY A 69 5.153 -6.180 -10.282 1.00 51.41 C ATOM 1010 C GLY A 69 4.525 -5.052 -9.488 1.00 15.03 C ATOM 1011 O GLY A 69 3.854 -5.289 -8.484 1.00 75.11 O ATOM 0 H GLY A 69 4.561 -7.594 -8.854 1.00 35.33 H new ATOM 0 HA2 GLY A 69 6.121 -5.856 -10.665 1.00 51.41 H new ATOM 0 HA3 GLY A 69 4.527 -6.404 -11.146 1.00 51.41 H new ATOM 1015 N ALA A 70 4.744 -3.820 -9.936 1.00 60.51 N ATOM 1016 CA ALA A 70 4.193 -2.652 -9.260 1.00 45.14 C ATOM 1017 C ALA A 70 4.218 -1.429 -10.172 1.00 11.51 C ATOM 1018 O ALA A 70 5.213 -1.163 -10.846 1.00 54.14 O ATOM 1019 CB ALA A 70 4.965 -2.373 -7.979 1.00 14.42 C ATOM 0 H ALA A 70 5.299 -3.605 -10.764 1.00 60.51 H new ATOM 0 HA ALA A 70 3.154 -2.864 -9.007 1.00 45.14 H new ATOM 0 HB1 ALA A 70 4.544 -1.498 -7.483 1.00 14.42 H new ATOM 0 HB2 ALA A 70 4.894 -3.235 -7.316 1.00 14.42 H new ATOM 0 HB3 ALA A 70 6.012 -2.185 -8.219 1.00 14.42 H new ATOM 1025 N LYS A 71 3.116 -0.687 -10.188 1.00 11.41 N ATOM 1026 CA LYS A 71 3.009 0.508 -11.015 1.00 2.11 C ATOM 1027 C LYS A 71 2.011 1.496 -10.419 1.00 2.11 C ATOM 1028 O LYS A 71 0.984 1.099 -9.870 1.00 51.44 O ATOM 1029 CB LYS A 71 2.585 0.134 -12.437 1.00 32.23 C ATOM 1030 CG LYS A 71 1.318 -0.703 -12.493 1.00 25.31 C ATOM 1031 CD LYS A 71 0.769 -0.791 -13.907 1.00 10.55 C ATOM 1032 CE LYS A 71 -0.348 0.215 -14.134 1.00 34.11 C ATOM 1033 NZ LYS A 71 0.056 1.290 -15.082 1.00 3.31 N ATOM 0 H LYS A 71 2.283 -0.893 -9.636 1.00 11.41 H new ATOM 0 HA LYS A 71 3.989 0.984 -11.048 1.00 2.11 H new ATOM 0 HB2 LYS A 71 2.434 1.046 -13.014 1.00 32.23 H new ATOM 0 HB3 LYS A 71 3.395 -0.416 -12.916 1.00 32.23 H new ATOM 0 HG2 LYS A 71 1.527 -1.706 -12.120 1.00 25.31 H new ATOM 0 HG3 LYS A 71 0.565 -0.269 -11.836 1.00 25.31 H new ATOM 0 HD2 LYS A 71 1.572 -0.612 -14.622 1.00 10.55 H new ATOM 0 HD3 LYS A 71 0.396 -1.798 -14.092 1.00 10.55 H new ATOM 0 HE2 LYS A 71 -1.227 -0.300 -14.522 1.00 34.11 H new ATOM 0 HE3 LYS A 71 -0.635 0.660 -13.181 1.00 34.11 H new ATOM 0 HZ1 LYS A 71 -0.733 1.955 -15.210 1.00 3.31 H new ATOM 0 HZ2 LYS A 71 0.879 1.799 -14.700 1.00 3.31 H new ATOM 0 HZ3 LYS A 71 0.305 0.868 -15.999 1.00 3.31 H new ATOM 1047 N ALA A 72 2.320 2.784 -10.532 1.00 75.22 N ATOM 1048 CA ALA A 72 1.449 3.827 -10.007 1.00 15.52 C ATOM 1049 C ALA A 72 0.440 4.280 -11.058 1.00 54.53 C ATOM 1050 O ALA A 72 0.774 4.418 -12.235 1.00 32.13 O ATOM 1051 CB ALA A 72 2.274 5.009 -9.521 1.00 41.22 C ATOM 0 H ALA A 72 3.167 3.129 -10.983 1.00 75.22 H new ATOM 0 HA ALA A 72 0.896 3.413 -9.164 1.00 15.52 H new ATOM 0 HB1 ALA A 72 1.610 5.781 -9.131 1.00 41.22 H new ATOM 0 HB2 ALA A 72 2.951 4.681 -8.732 1.00 41.22 H new ATOM 0 HB3 ALA A 72 2.853 5.414 -10.351 1.00 41.22 H new ATOM 1057 N VAL A 73 -0.796 4.509 -10.626 1.00 3.44 N ATOM 1058 CA VAL A 73 -1.853 4.947 -11.528 1.00 55.42 C ATOM 1059 C VAL A 73 -2.274 6.381 -11.228 1.00 71.21 C ATOM 1060 O VAL A 73 -2.038 6.890 -10.133 1.00 55.43 O ATOM 1061 CB VAL A 73 -3.088 4.030 -11.435 1.00 3.34 C ATOM 1062 CG1 VAL A 73 -4.055 4.318 -12.572 1.00 44.13 C ATOM 1063 CG2 VAL A 73 -2.666 2.569 -11.438 1.00 74.01 C ATOM 0 H VAL A 73 -1.090 4.398 -9.655 1.00 3.44 H new ATOM 0 HA VAL A 73 -1.447 4.895 -12.538 1.00 55.42 H new ATOM 0 HB VAL A 73 -3.601 4.234 -10.495 1.00 3.34 H new ATOM 0 HG11 VAL A 73 -4.920 3.661 -12.489 1.00 44.13 H new ATOM 0 HG12 VAL A 73 -4.382 5.356 -12.518 1.00 44.13 H new ATOM 0 HG13 VAL A 73 -3.557 4.144 -13.526 1.00 44.13 H new ATOM 0 HG21 VAL A 73 -3.550 1.935 -11.372 1.00 74.01 H new ATOM 0 HG22 VAL A 73 -2.129 2.347 -12.360 1.00 74.01 H new ATOM 0 HG23 VAL A 73 -2.016 2.376 -10.584 1.00 74.01 H new ATOM 1073 N GLU A 74 -2.900 7.027 -12.207 1.00 23.51 N ATOM 1074 CA GLU A 74 -3.354 8.403 -12.046 1.00 71.43 C ATOM 1075 C GLU A 74 -4.869 8.458 -11.866 1.00 42.14 C ATOM 1076 O GLU A 74 -5.624 8.002 -12.723 1.00 51.11 O ATOM 1077 CB GLU A 74 -2.942 9.244 -13.257 1.00 31.13 C ATOM 1078 CG GLU A 74 -1.455 9.185 -13.560 1.00 40.14 C ATOM 1079 CD GLU A 74 -1.132 8.267 -14.722 1.00 72.45 C ATOM 1080 OE1 GLU A 74 -1.989 8.119 -15.618 1.00 73.44 O ATOM 1081 OE2 GLU A 74 -0.021 7.696 -14.736 1.00 53.12 O ATOM 0 H GLU A 74 -3.104 6.619 -13.119 1.00 23.51 H new ATOM 0 HA GLU A 74 -2.884 8.812 -11.152 1.00 71.43 H new ATOM 0 HB2 GLU A 74 -3.496 8.903 -14.131 1.00 31.13 H new ATOM 0 HB3 GLU A 74 -3.228 10.281 -13.083 1.00 31.13 H new ATOM 0 HG2 GLU A 74 -1.094 10.189 -13.784 1.00 40.14 H new ATOM 0 HG3 GLU A 74 -0.921 8.844 -12.673 1.00 40.14 H new ATOM 1120 N GLU A 78 -7.294 -0.350 -10.522 1.00 53.51 N ATOM 1121 CA GLU A 78 -7.921 -1.579 -10.990 1.00 41.15 C ATOM 1122 C GLU A 78 -7.046 -2.789 -10.677 1.00 63.44 C ATOM 1123 O GLU A 78 -5.868 -2.826 -11.034 1.00 70.03 O ATOM 1124 CB GLU A 78 -8.185 -1.502 -12.496 1.00 63.40 C ATOM 1125 CG GLU A 78 -9.194 -2.524 -12.990 1.00 33.53 C ATOM 1126 CD GLU A 78 -10.539 -1.905 -13.319 1.00 51.33 C ATOM 1127 OE1 GLU A 78 -10.632 -1.197 -14.344 1.00 20.43 O ATOM 1128 OE2 GLU A 78 -11.498 -2.127 -12.551 1.00 21.04 O ATOM 0 HA GLU A 78 -8.871 -1.694 -10.468 1.00 41.15 H new ATOM 0 HB2 GLU A 78 -8.542 -0.502 -12.743 1.00 63.40 H new ATOM 0 HB3 GLU A 78 -7.245 -1.645 -13.029 1.00 63.40 H new ATOM 0 HG2 GLU A 78 -8.799 -3.019 -13.877 1.00 33.53 H new ATOM 0 HG3 GLU A 78 -9.329 -3.293 -12.229 1.00 33.53 H new ATOM 1135 N ALA A 79 -7.630 -3.777 -10.008 1.00 23.43 N ATOM 1136 CA ALA A 79 -6.905 -4.989 -9.648 1.00 31.41 C ATOM 1137 C ALA A 79 -7.767 -5.910 -8.790 1.00 61.43 C ATOM 1138 O ALA A 79 -8.904 -5.579 -8.456 1.00 44.30 O ATOM 1139 CB ALA A 79 -5.618 -4.637 -8.917 1.00 2.31 C ATOM 0 H ALA A 79 -8.604 -3.762 -9.704 1.00 23.43 H new ATOM 0 HA ALA A 79 -6.655 -5.519 -10.567 1.00 31.41 H new ATOM 0 HB1 ALA A 79 -5.087 -5.552 -8.654 1.00 2.31 H new ATOM 0 HB2 ALA A 79 -4.989 -4.025 -9.563 1.00 2.31 H new ATOM 0 HB3 ALA A 79 -5.855 -4.082 -8.009 1.00 2.31 H new ATOM 1145 N ASP A 80 -7.218 -7.068 -8.439 1.00 72.24 N ATOM 1146 CA ASP A 80 -7.937 -8.037 -7.621 1.00 34.23 C ATOM 1147 C ASP A 80 -8.442 -7.394 -6.334 1.00 1.54 C ATOM 1148 O ASP A 80 -9.491 -7.769 -5.809 1.00 3.15 O ATOM 1149 CB ASP A 80 -7.034 -9.227 -7.290 1.00 52.04 C ATOM 1150 CG ASP A 80 -7.755 -10.555 -7.423 1.00 4.03 C ATOM 1151 OD1 ASP A 80 -7.832 -11.077 -8.554 1.00 51.33 O ATOM 1152 OD2 ASP A 80 -8.241 -11.072 -6.394 1.00 53.32 O ATOM 0 H ASP A 80 -6.278 -7.358 -8.708 1.00 72.24 H new ATOM 0 HA ASP A 80 -8.796 -8.390 -8.191 1.00 34.23 H new ATOM 0 HB2 ASP A 80 -6.169 -9.218 -7.953 1.00 52.04 H new ATOM 0 HB3 ASP A 80 -6.657 -9.122 -6.273 1.00 52.04 H new ATOM 1157 N PHE A 81 -7.689 -6.422 -5.828 1.00 62.40 N ATOM 1158 CA PHE A 81 -8.058 -5.727 -4.601 1.00 31.34 C ATOM 1159 C PHE A 81 -7.794 -4.229 -4.723 1.00 72.22 C ATOM 1160 O PHE A 81 -6.667 -3.805 -4.980 1.00 34.14 O ATOM 1161 CB PHE A 81 -7.282 -6.297 -3.413 1.00 23.41 C ATOM 1162 CG PHE A 81 -7.531 -7.761 -3.180 1.00 52.41 C ATOM 1163 CD1 PHE A 81 -8.681 -8.186 -2.534 1.00 72.22 C ATOM 1164 CD2 PHE A 81 -6.616 -8.709 -3.607 1.00 32.12 C ATOM 1165 CE1 PHE A 81 -8.914 -9.531 -2.319 1.00 74.52 C ATOM 1166 CE2 PHE A 81 -6.844 -10.057 -3.394 1.00 10.53 C ATOM 1167 CZ PHE A 81 -7.994 -10.468 -2.749 1.00 14.34 C ATOM 0 H PHE A 81 -6.819 -6.098 -6.250 1.00 62.40 H new ATOM 0 HA PHE A 81 -9.125 -5.878 -4.436 1.00 31.34 H new ATOM 0 HB2 PHE A 81 -6.216 -6.140 -3.577 1.00 23.41 H new ATOM 0 HB3 PHE A 81 -7.552 -5.743 -2.514 1.00 23.41 H new ATOM 0 HD1 PHE A 81 -9.403 -7.458 -2.195 1.00 72.22 H new ATOM 0 HD2 PHE A 81 -5.715 -8.393 -4.112 1.00 32.12 H new ATOM 0 HE1 PHE A 81 -9.815 -9.850 -1.815 1.00 74.52 H new ATOM 0 HE2 PHE A 81 -6.123 -10.787 -3.732 1.00 10.53 H new ATOM 0 HZ PHE A 81 -8.174 -11.520 -2.581 1.00 14.34 H new ATOM 1177 N VAL A 82 -8.842 -3.433 -4.540 1.00 34.23 N ATOM 1178 CA VAL A 82 -8.725 -1.983 -4.629 1.00 1.43 C ATOM 1179 C VAL A 82 -9.241 -1.310 -3.361 1.00 25.05 C ATOM 1180 O VAL A 82 -10.281 -1.692 -2.824 1.00 0.24 O ATOM 1181 CB VAL A 82 -9.499 -1.430 -5.841 1.00 21.52 C ATOM 1182 CG1 VAL A 82 -9.583 0.087 -5.774 1.00 62.05 C ATOM 1183 CG2 VAL A 82 -8.847 -1.881 -7.138 1.00 44.53 C ATOM 0 H VAL A 82 -9.782 -3.768 -4.329 1.00 34.23 H new ATOM 0 HA VAL A 82 -7.665 -1.759 -4.751 1.00 1.43 H new ATOM 0 HB VAL A 82 -10.514 -1.826 -5.815 1.00 21.52 H new ATOM 0 HG11 VAL A 82 -10.133 0.459 -6.638 1.00 62.05 H new ATOM 0 HG12 VAL A 82 -10.099 0.383 -4.860 1.00 62.05 H new ATOM 0 HG13 VAL A 82 -8.577 0.507 -5.775 1.00 62.05 H new ATOM 0 HG21 VAL A 82 -9.406 -1.482 -7.984 1.00 44.53 H new ATOM 0 HG22 VAL A 82 -7.821 -1.515 -7.176 1.00 44.53 H new ATOM 0 HG23 VAL A 82 -8.846 -2.970 -7.185 1.00 44.53 H new ATOM 1193 N ILE A 83 -8.507 -0.307 -2.889 1.00 34.43 N ATOM 1194 CA ILE A 83 -8.891 0.419 -1.685 1.00 75.02 C ATOM 1195 C ILE A 83 -8.667 1.918 -1.852 1.00 44.02 C ATOM 1196 O ILE A 83 -7.554 2.360 -2.138 1.00 71.41 O ATOM 1197 CB ILE A 83 -8.106 -0.073 -0.456 1.00 23.11 C ATOM 1198 CG1 ILE A 83 -8.274 -1.585 -0.287 1.00 51.33 C ATOM 1199 CG2 ILE A 83 -8.567 0.659 0.796 1.00 50.12 C ATOM 1200 CD1 ILE A 83 -7.328 -2.189 0.726 1.00 10.51 C ATOM 0 H ILE A 83 -7.644 0.021 -3.322 1.00 34.43 H new ATOM 0 HA ILE A 83 -9.952 0.228 -1.527 1.00 75.02 H new ATOM 0 HB ILE A 83 -7.048 0.141 -0.610 1.00 23.11 H new ATOM 0 HG12 ILE A 83 -9.300 -1.797 0.015 1.00 51.33 H new ATOM 0 HG13 ILE A 83 -8.119 -2.070 -1.251 1.00 51.33 H new ATOM 0 HG21 ILE A 83 -8.002 0.300 1.656 1.00 50.12 H new ATOM 0 HG22 ILE A 83 -8.400 1.729 0.674 1.00 50.12 H new ATOM 0 HG23 ILE A 83 -9.629 0.473 0.956 1.00 50.12 H new ATOM 0 HD11 ILE A 83 -7.504 -3.263 0.793 1.00 10.51 H new ATOM 0 HD12 ILE A 83 -6.299 -2.009 0.415 1.00 10.51 H new ATOM 0 HD13 ILE A 83 -7.498 -1.732 1.701 1.00 10.51 H new ATOM 1212 N GLU A 84 -9.729 2.694 -1.669 1.00 54.03 N ATOM 1213 CA GLU A 84 -9.646 4.144 -1.799 1.00 1.05 C ATOM 1214 C GLU A 84 -9.911 4.826 -0.460 1.00 14.33 C ATOM 1215 O GLU A 84 -10.820 4.442 0.275 1.00 31.45 O ATOM 1216 CB GLU A 84 -10.646 4.643 -2.845 1.00 13.31 C ATOM 1217 CG GLU A 84 -10.878 6.145 -2.798 1.00 22.21 C ATOM 1218 CD GLU A 84 -11.186 6.730 -4.162 1.00 13.33 C ATOM 1219 OE1 GLU A 84 -10.367 6.543 -5.086 1.00 43.20 O ATOM 1220 OE2 GLU A 84 -12.245 7.375 -4.305 1.00 14.40 O ATOM 0 H GLU A 84 -10.657 2.344 -1.430 1.00 54.03 H new ATOM 0 HA GLU A 84 -8.636 4.397 -2.123 1.00 1.05 H new ATOM 0 HB2 GLU A 84 -10.287 4.370 -3.837 1.00 13.31 H new ATOM 0 HB3 GLU A 84 -11.598 4.132 -2.698 1.00 13.31 H new ATOM 0 HG2 GLU A 84 -11.703 6.360 -2.120 1.00 22.21 H new ATOM 0 HG3 GLU A 84 -9.993 6.633 -2.389 1.00 22.21 H new ATOM 1227 N ALA A 85 -9.110 5.841 -0.150 1.00 23.12 N ATOM 1228 CA ALA A 85 -9.259 6.577 1.099 1.00 4.43 C ATOM 1229 C ALA A 85 -8.566 7.934 1.022 1.00 25.52 C ATOM 1230 O ALA A 85 -7.882 8.238 0.044 1.00 25.42 O ATOM 1231 CB ALA A 85 -8.704 5.765 2.260 1.00 60.41 C ATOM 0 H ALA A 85 -8.352 6.172 -0.747 1.00 23.12 H new ATOM 0 HA ALA A 85 -10.322 6.749 1.266 1.00 4.43 H new ATOM 0 HB1 ALA A 85 -8.822 6.327 3.186 1.00 60.41 H new ATOM 0 HB2 ALA A 85 -9.245 4.822 2.336 1.00 60.41 H new ATOM 0 HB3 ALA A 85 -7.646 5.563 2.090 1.00 60.41 H new ATOM 1237 N ASP A 86 -8.748 8.745 2.057 1.00 2.24 N ATOM 1238 CA ASP A 86 -8.140 10.069 2.108 1.00 44.34 C ATOM 1239 C ASP A 86 -6.634 9.968 2.331 1.00 51.54 C ATOM 1240 O ASP A 86 -6.177 9.329 3.280 1.00 51.43 O ATOM 1241 CB ASP A 86 -8.777 10.906 3.217 1.00 24.23 C ATOM 1242 CG ASP A 86 -10.191 11.335 2.879 1.00 31.53 C ATOM 1243 OD1 ASP A 86 -10.350 12.274 2.072 1.00 62.44 O ATOM 1244 OD2 ASP A 86 -11.140 10.731 3.423 1.00 51.34 O ATOM 0 H ASP A 86 -9.312 8.509 2.873 1.00 2.24 H new ATOM 0 HA ASP A 86 -8.315 10.558 1.150 1.00 44.34 H new ATOM 0 HB2 ASP A 86 -8.787 10.330 4.143 1.00 24.23 H new ATOM 0 HB3 ASP A 86 -8.166 11.790 3.398 1.00 24.23 H new ATOM 1249 N LEU A 87 -5.867 10.601 1.450 1.00 25.15 N ATOM 1250 CA LEU A 87 -4.411 10.582 1.551 1.00 60.25 C ATOM 1251 C LEU A 87 -3.963 10.697 3.003 1.00 15.23 C ATOM 1252 O LEU A 87 -3.174 9.886 3.486 1.00 44.01 O ATOM 1253 CB LEU A 87 -3.808 11.722 0.727 1.00 11.43 C ATOM 1254 CG LEU A 87 -2.331 12.026 0.983 1.00 53.14 C ATOM 1255 CD1 LEU A 87 -1.458 10.890 0.476 1.00 64.13 C ATOM 1256 CD2 LEU A 87 -1.936 13.341 0.325 1.00 71.51 C ATOM 0 H LEU A 87 -6.228 11.133 0.658 1.00 25.15 H new ATOM 0 HA LEU A 87 -4.057 9.629 1.156 1.00 60.25 H new ATOM 0 HB2 LEU A 87 -3.932 11.485 -0.330 1.00 11.43 H new ATOM 0 HB3 LEU A 87 -4.384 12.627 0.920 1.00 11.43 H new ATOM 0 HG LEU A 87 -2.179 12.121 2.058 1.00 53.14 H new ATOM 0 HD11 LEU A 87 -0.410 11.123 0.666 1.00 64.13 H new ATOM 0 HD12 LEU A 87 -1.724 9.968 0.993 1.00 64.13 H new ATOM 0 HD13 LEU A 87 -1.612 10.763 -0.595 1.00 64.13 H new ATOM 0 HD21 LEU A 87 -0.882 13.542 0.517 1.00 71.51 H new ATOM 0 HD22 LEU A 87 -2.103 13.274 -0.750 1.00 71.51 H new ATOM 0 HD23 LEU A 87 -2.540 14.150 0.736 1.00 71.51 H new ATOM 1268 N ALA A 88 -4.475 11.708 3.697 1.00 55.25 N ATOM 1269 CA ALA A 88 -4.133 11.927 5.097 1.00 61.22 C ATOM 1270 C ALA A 88 -4.170 10.620 5.882 1.00 62.34 C ATOM 1271 O ALA A 88 -3.306 10.362 6.720 1.00 62.40 O ATOM 1272 CB ALA A 88 -5.077 12.946 5.719 1.00 24.52 C ATOM 0 H ALA A 88 -5.129 12.389 3.312 1.00 55.25 H new ATOM 0 HA ALA A 88 -3.116 12.318 5.140 1.00 61.22 H new ATOM 0 HB1 ALA A 88 -4.809 13.099 6.764 1.00 24.52 H new ATOM 0 HB2 ALA A 88 -4.997 13.891 5.182 1.00 24.52 H new ATOM 0 HB3 ALA A 88 -6.101 12.578 5.657 1.00 24.52 H new ATOM 1278 N THR A 89 -5.176 9.797 5.605 1.00 74.23 N ATOM 1279 CA THR A 89 -5.328 8.517 6.286 1.00 4.53 C ATOM 1280 C THR A 89 -4.253 7.530 5.846 1.00 73.54 C ATOM 1281 O THR A 89 -3.678 6.817 6.667 1.00 23.03 O ATOM 1282 CB THR A 89 -6.714 7.902 6.024 1.00 74.44 C ATOM 1283 OG1 THR A 89 -7.740 8.841 6.363 1.00 20.43 O ATOM 1284 CG2 THR A 89 -6.901 6.625 6.830 1.00 5.12 C ATOM 0 H THR A 89 -5.899 9.994 4.913 1.00 74.23 H new ATOM 0 HA THR A 89 -5.223 8.712 7.353 1.00 4.53 H new ATOM 0 HB THR A 89 -6.783 7.657 4.964 1.00 74.44 H new ATOM 0 HG1 THR A 89 -8.618 8.442 6.191 1.00 20.43 H new ATOM 0 HG21 THR A 89 -7.888 6.209 6.628 1.00 5.12 H new ATOM 0 HG22 THR A 89 -6.137 5.901 6.547 1.00 5.12 H new ATOM 0 HG23 THR A 89 -6.812 6.849 7.893 1.00 5.12 H new ATOM 1292 N TRP A 90 -3.987 7.494 4.545 1.00 61.35 N ATOM 1293 CA TRP A 90 -2.980 6.594 3.995 1.00 74.23 C ATOM 1294 C TRP A 90 -1.622 6.836 4.642 1.00 44.43 C ATOM 1295 O TRP A 90 -0.994 5.909 5.153 1.00 41.43 O ATOM 1296 CB TRP A 90 -2.878 6.775 2.480 1.00 63.51 C ATOM 1297 CG TRP A 90 -3.965 6.075 1.722 1.00 22.13 C ATOM 1298 CD1 TRP A 90 -4.874 6.646 0.878 1.00 52.33 C ATOM 1299 CD2 TRP A 90 -4.258 4.673 1.742 1.00 14.24 C ATOM 1300 NE1 TRP A 90 -5.715 5.684 0.373 1.00 63.24 N ATOM 1301 CE2 TRP A 90 -5.358 4.466 0.887 1.00 61.55 C ATOM 1302 CE3 TRP A 90 -3.700 3.574 2.399 1.00 64.41 C ATOM 1303 CZ2 TRP A 90 -5.907 3.204 0.672 1.00 23.34 C ATOM 1304 CZ3 TRP A 90 -4.245 2.322 2.186 1.00 41.12 C ATOM 1305 CH2 TRP A 90 -5.339 2.145 1.328 1.00 4.11 C ATOM 0 H TRP A 90 -4.455 8.078 3.851 1.00 61.35 H new ATOM 0 HA TRP A 90 -3.286 5.570 4.211 1.00 74.23 H new ATOM 0 HB2 TRP A 90 -2.909 7.839 2.246 1.00 63.51 H new ATOM 0 HB3 TRP A 90 -1.911 6.402 2.141 1.00 63.51 H new ATOM 0 HD1 TRP A 90 -4.924 7.699 0.642 1.00 52.33 H new ATOM 0 HE1 TRP A 90 -6.481 5.850 -0.279 1.00 63.24 H new ATOM 0 HE3 TRP A 90 -2.857 3.700 3.062 1.00 64.41 H new ATOM 0 HZ2 TRP A 90 -6.750 3.066 0.012 1.00 23.34 H new ATOM 0 HZ3 TRP A 90 -3.821 1.466 2.689 1.00 41.12 H new ATOM 0 HH2 TRP A 90 -5.742 1.154 1.181 1.00 4.11 H new ATOM 1316 N GLN A 91 -1.174 8.087 4.617 1.00 51.14 N ATOM 1317 CA GLN A 91 0.112 8.450 5.202 1.00 54.13 C ATOM 1318 C GLN A 91 0.274 7.831 6.586 1.00 1.41 C ATOM 1319 O GLN A 91 1.221 7.086 6.835 1.00 4.44 O ATOM 1320 CB GLN A 91 0.244 9.971 5.291 1.00 54.30 C ATOM 1321 CG GLN A 91 0.137 10.672 3.946 1.00 31.11 C ATOM 1322 CD GLN A 91 1.277 11.640 3.701 1.00 44.34 C ATOM 1323 OE1 GLN A 91 2.310 11.583 4.367 1.00 65.10 O ATOM 1324 NE2 GLN A 91 1.094 12.539 2.739 1.00 32.32 N ATOM 0 H GLN A 91 -1.682 8.866 4.198 1.00 51.14 H new ATOM 0 HA GLN A 91 0.900 8.062 4.556 1.00 54.13 H new ATOM 0 HB2 GLN A 91 -0.530 10.356 5.954 1.00 54.30 H new ATOM 0 HB3 GLN A 91 1.204 10.218 5.744 1.00 54.30 H new ATOM 0 HG2 GLN A 91 0.122 9.926 3.152 1.00 31.11 H new ATOM 0 HG3 GLN A 91 -0.809 11.211 3.895 1.00 31.11 H new ATOM 0 HE21 GLN A 91 0.221 12.551 2.211 1.00 32.32 H new ATOM 0 HE22 GLN A 91 1.826 13.217 2.529 1.00 32.32 H new ATOM 1333 N GLU A 92 -0.656 8.146 7.482 1.00 65.41 N ATOM 1334 CA GLU A 92 -0.614 7.621 8.842 1.00 22.31 C ATOM 1335 C GLU A 92 -0.085 6.189 8.856 1.00 42.53 C ATOM 1336 O GLU A 92 0.948 5.902 9.462 1.00 15.24 O ATOM 1337 CB GLU A 92 -2.006 7.668 9.474 1.00 51.10 C ATOM 1338 CG GLU A 92 -2.737 8.980 9.239 1.00 32.53 C ATOM 1339 CD GLU A 92 -3.314 9.562 10.515 1.00 54.35 C ATOM 1340 OE1 GLU A 92 -2.582 9.625 11.524 1.00 63.10 O ATOM 1341 OE2 GLU A 92 -4.500 9.955 10.502 1.00 3.32 O ATOM 0 H GLU A 92 -1.447 8.761 7.291 1.00 65.41 H new ATOM 0 HA GLU A 92 0.063 8.246 9.425 1.00 22.31 H new ATOM 0 HB2 GLU A 92 -2.606 6.851 9.073 1.00 51.10 H new ATOM 0 HB3 GLU A 92 -1.915 7.500 10.547 1.00 51.10 H new ATOM 0 HG2 GLU A 92 -2.050 9.700 8.794 1.00 32.53 H new ATOM 0 HG3 GLU A 92 -3.541 8.820 8.521 1.00 32.53 H new ATOM 1348 N VAL A 93 -0.802 5.294 8.184 1.00 25.31 N ATOM 1349 CA VAL A 93 -0.405 3.892 8.118 1.00 70.22 C ATOM 1350 C VAL A 93 1.093 3.755 7.871 1.00 31.33 C ATOM 1351 O VAL A 93 1.802 3.101 8.637 1.00 64.51 O ATOM 1352 CB VAL A 93 -1.168 3.145 7.008 1.00 23.22 C ATOM 1353 CG1 VAL A 93 -0.796 1.670 7.003 1.00 64.52 C ATOM 1354 CG2 VAL A 93 -2.669 3.324 7.180 1.00 31.32 C ATOM 0 H VAL A 93 -1.660 5.514 7.678 1.00 25.31 H new ATOM 0 HA VAL A 93 -0.653 3.447 9.082 1.00 70.22 H new ATOM 0 HB VAL A 93 -0.882 3.570 6.046 1.00 23.22 H new ATOM 0 HG11 VAL A 93 -1.345 1.159 6.212 1.00 64.52 H new ATOM 0 HG12 VAL A 93 0.275 1.565 6.827 1.00 64.52 H new ATOM 0 HG13 VAL A 93 -1.051 1.227 7.966 1.00 64.52 H new ATOM 0 HG21 VAL A 93 -3.192 2.790 6.387 1.00 31.32 H new ATOM 0 HG22 VAL A 93 -2.974 2.927 8.148 1.00 31.32 H new ATOM 0 HG23 VAL A 93 -2.917 4.384 7.128 1.00 31.32 H new ATOM 1364 N LEU A 94 1.569 4.376 6.798 1.00 32.14 N ATOM 1365 CA LEU A 94 2.984 4.325 6.449 1.00 44.12 C ATOM 1366 C LEU A 94 3.843 4.903 7.570 1.00 23.51 C ATOM 1367 O LEU A 94 4.938 4.411 7.842 1.00 52.35 O ATOM 1368 CB LEU A 94 3.239 5.092 5.150 1.00 72.51 C ATOM 1369 CG LEU A 94 3.822 4.279 3.994 1.00 5.21 C ATOM 1370 CD1 LEU A 94 3.178 4.683 2.678 1.00 54.21 C ATOM 1371 CD2 LEU A 94 5.333 4.457 3.927 1.00 71.54 C ATOM 0 H LEU A 94 0.996 4.921 6.154 1.00 32.14 H new ATOM 0 HA LEU A 94 3.259 3.280 6.306 1.00 44.12 H new ATOM 0 HB2 LEU A 94 2.298 5.531 4.820 1.00 72.51 H new ATOM 0 HB3 LEU A 94 3.918 5.917 5.366 1.00 72.51 H new ATOM 0 HG LEU A 94 3.606 3.225 4.171 1.00 5.21 H new ATOM 0 HD11 LEU A 94 3.606 4.093 1.867 1.00 54.21 H new ATOM 0 HD12 LEU A 94 2.104 4.504 2.729 1.00 54.21 H new ATOM 0 HD13 LEU A 94 3.362 5.741 2.493 1.00 54.21 H new ATOM 0 HD21 LEU A 94 5.732 3.872 3.099 1.00 71.54 H new ATOM 0 HD22 LEU A 94 5.569 5.510 3.774 1.00 71.54 H new ATOM 0 HD23 LEU A 94 5.781 4.117 4.861 1.00 71.54 H new ATOM 1383 N GLU A 95 3.336 5.947 8.218 1.00 42.31 N ATOM 1384 CA GLU A 95 4.057 6.590 9.310 1.00 30.21 C ATOM 1385 C GLU A 95 4.195 5.646 10.502 1.00 51.13 C ATOM 1386 O GLU A 95 4.931 5.925 11.446 1.00 21.20 O ATOM 1387 CB GLU A 95 3.338 7.870 9.741 1.00 3.21 C ATOM 1388 CG GLU A 95 3.400 8.981 8.706 1.00 22.13 C ATOM 1389 CD GLU A 95 4.455 10.022 9.030 1.00 53.12 C ATOM 1390 OE1 GLU A 95 5.649 9.751 8.787 1.00 3.04 O ATOM 1391 OE2 GLU A 95 4.085 11.107 9.526 1.00 71.14 O ATOM 0 H GLU A 95 2.430 6.365 8.006 1.00 42.31 H new ATOM 0 HA GLU A 95 5.055 6.844 8.952 1.00 30.21 H new ATOM 0 HB2 GLU A 95 2.294 7.637 9.950 1.00 3.21 H new ATOM 0 HB3 GLU A 95 3.777 8.228 10.672 1.00 3.21 H new ATOM 0 HG2 GLU A 95 3.609 8.549 7.727 1.00 22.13 H new ATOM 0 HG3 GLU A 95 2.426 9.465 8.639 1.00 22.13 H new ATOM 1398 N GLY A 96 3.479 4.526 10.448 1.00 5.21 N ATOM 1399 CA GLY A 96 3.535 3.558 11.528 1.00 53.52 C ATOM 1400 C GLY A 96 2.547 3.867 12.635 1.00 53.52 C ATOM 1401 O GLY A 96 2.303 3.035 13.509 1.00 61.32 O ATOM 0 H GLY A 96 2.862 4.272 9.676 1.00 5.21 H new ATOM 0 HA2 GLY A 96 3.332 2.563 11.131 1.00 53.52 H new ATOM 0 HA3 GLY A 96 4.544 3.537 11.941 1.00 53.52 H new ATOM 1405 N ARG A 97 1.978 5.068 12.599 1.00 12.32 N ATOM 1406 CA ARG A 97 1.012 5.486 13.610 1.00 62.21 C ATOM 1407 C ARG A 97 -0.321 4.769 13.417 1.00 21.43 C ATOM 1408 O ARG A 97 -0.999 4.426 14.387 1.00 63.32 O ATOM 1409 CB ARG A 97 0.803 7.000 13.550 1.00 45.45 C ATOM 1410 CG ARG A 97 2.048 7.801 13.894 1.00 43.42 C ATOM 1411 CD ARG A 97 1.787 8.775 15.032 1.00 11.31 C ATOM 1412 NE ARG A 97 1.523 10.126 14.547 1.00 51.45 N ATOM 1413 CZ ARG A 97 1.135 11.127 15.330 1.00 25.10 C ATOM 1414 NH1 ARG A 97 0.968 10.928 16.630 1.00 34.20 N ATOM 1415 NH2 ARG A 97 0.915 12.329 14.813 1.00 35.34 N ATOM 0 H ARG A 97 2.169 5.768 11.882 1.00 12.32 H new ATOM 0 HA ARG A 97 1.409 5.220 14.589 1.00 62.21 H new ATOM 0 HB2 ARG A 97 0.471 7.273 12.548 1.00 45.45 H new ATOM 0 HB3 ARG A 97 0.003 7.275 14.237 1.00 45.45 H new ATOM 0 HG2 ARG A 97 2.854 7.122 14.173 1.00 43.42 H new ATOM 0 HG3 ARG A 97 2.384 8.350 13.014 1.00 43.42 H new ATOM 0 HD2 ARG A 97 0.936 8.428 15.618 1.00 11.31 H new ATOM 0 HD3 ARG A 97 2.649 8.792 15.700 1.00 11.31 H new ATOM 0 HE ARG A 97 1.643 10.312 13.551 1.00 51.45 H new ATOM 0 HH11 ARG A 97 1.137 10.005 17.031 1.00 34.20 H new ATOM 0 HH12 ARG A 97 0.670 11.698 17.230 1.00 34.20 H new ATOM 0 HH21 ARG A 97 1.044 12.486 13.813 1.00 35.34 H new ATOM 0 HH22 ARG A 97 0.617 13.096 15.415 1.00 35.34 H new ATOM 1429 N LEU A 98 -0.692 4.547 12.162 1.00 65.04 N ATOM 1430 CA LEU A 98 -1.944 3.871 11.841 1.00 1.24 C ATOM 1431 C LEU A 98 -1.682 2.499 11.227 1.00 3.32 C ATOM 1432 O LEU A 98 -0.542 2.158 10.912 1.00 11.35 O ATOM 1433 CB LEU A 98 -2.774 4.723 10.879 1.00 23.20 C ATOM 1434 CG LEU A 98 -3.836 5.617 11.519 1.00 11.14 C ATOM 1435 CD1 LEU A 98 -5.045 4.795 11.939 1.00 43.22 C ATOM 1436 CD2 LEU A 98 -3.256 6.363 12.712 1.00 15.15 C ATOM 0 H LEU A 98 -0.143 4.825 11.349 1.00 65.04 H new ATOM 0 HA LEU A 98 -2.501 3.733 12.768 1.00 1.24 H new ATOM 0 HB2 LEU A 98 -2.095 5.354 10.306 1.00 23.20 H new ATOM 0 HB3 LEU A 98 -3.267 4.058 10.170 1.00 23.20 H new ATOM 0 HG LEU A 98 -4.160 6.349 10.779 1.00 11.14 H new ATOM 0 HD11 LEU A 98 -5.790 5.449 12.392 1.00 43.22 H new ATOM 0 HD12 LEU A 98 -5.475 4.307 11.064 1.00 43.22 H new ATOM 0 HD13 LEU A 98 -4.738 4.039 12.662 1.00 43.22 H new ATOM 0 HD21 LEU A 98 -4.026 6.995 13.155 1.00 15.15 H new ATOM 0 HD22 LEU A 98 -2.904 5.646 13.453 1.00 15.15 H new ATOM 0 HD23 LEU A 98 -2.423 6.984 12.383 1.00 15.15 H new ATOM 1448 N GLU A 99 -2.744 1.719 11.061 1.00 61.25 N ATOM 1449 CA GLU A 99 -2.628 0.385 10.483 1.00 52.43 C ATOM 1450 C GLU A 99 -3.382 0.298 9.159 1.00 32.51 C ATOM 1451 O GLU A 99 -4.342 1.029 8.913 1.00 65.21 O ATOM 1452 CB GLU A 99 -3.163 -0.665 11.458 1.00 23.52 C ATOM 1453 CG GLU A 99 -2.072 -1.428 12.191 1.00 1.40 C ATOM 1454 CD GLU A 99 -1.682 -0.772 13.502 1.00 53.15 C ATOM 1455 OE1 GLU A 99 -0.883 0.189 13.469 1.00 13.01 O ATOM 1456 OE2 GLU A 99 -2.173 -1.219 14.559 1.00 41.22 O ATOM 0 H GLU A 99 -3.694 1.987 11.318 1.00 61.25 H new ATOM 0 HA GLU A 99 -1.573 0.189 10.293 1.00 52.43 H new ATOM 0 HB2 GLU A 99 -3.806 -0.175 12.189 1.00 23.52 H new ATOM 0 HB3 GLU A 99 -3.785 -1.373 10.911 1.00 23.52 H new ATOM 0 HG2 GLU A 99 -2.413 -2.445 12.385 1.00 1.40 H new ATOM 0 HG3 GLU A 99 -1.193 -1.503 11.551 1.00 1.40 H new ATOM 1463 N PRO A 100 -2.939 -0.619 8.286 1.00 32.12 N ATOM 1464 CA PRO A 100 -3.557 -0.826 6.973 1.00 14.31 C ATOM 1465 C PRO A 100 -4.944 -1.452 7.076 1.00 3.34 C ATOM 1466 O PRO A 100 -5.901 -0.970 6.469 1.00 21.43 O ATOM 1467 CB PRO A 100 -2.591 -1.782 6.271 1.00 5.45 C ATOM 1468 CG PRO A 100 -1.904 -2.506 7.377 1.00 11.03 C ATOM 1469 CD PRO A 100 -1.801 -1.525 8.513 1.00 24.40 C ATOM 0 HA PRO A 100 -3.708 0.114 6.443 1.00 14.31 H new ATOM 0 HB2 PRO A 100 -3.123 -2.472 5.616 1.00 5.45 H new ATOM 0 HB3 PRO A 100 -1.878 -1.239 5.650 1.00 5.45 H new ATOM 0 HG2 PRO A 100 -2.468 -3.390 7.675 1.00 11.03 H new ATOM 0 HG3 PRO A 100 -0.917 -2.848 7.066 1.00 11.03 H new ATOM 0 HD2 PRO A 100 -1.870 -2.022 9.481 1.00 24.40 H new ATOM 0 HD3 PRO A 100 -0.852 -0.990 8.497 1.00 24.40 H new ATOM 1477 N LEU A 101 -5.046 -2.527 7.850 1.00 30.23 N ATOM 1478 CA LEU A 101 -6.316 -3.219 8.034 1.00 30.34 C ATOM 1479 C LEU A 101 -7.164 -2.528 9.097 1.00 53.12 C ATOM 1480 O LEU A 101 -8.333 -2.216 8.867 1.00 41.12 O ATOM 1481 CB LEU A 101 -6.074 -4.677 8.429 1.00 21.44 C ATOM 1482 CG LEU A 101 -6.050 -5.688 7.282 1.00 50.22 C ATOM 1483 CD1 LEU A 101 -4.619 -6.000 6.874 1.00 52.34 C ATOM 1484 CD2 LEU A 101 -6.784 -6.961 7.678 1.00 24.24 C ATOM 0 H LEU A 101 -4.264 -2.938 8.360 1.00 30.23 H new ATOM 0 HA LEU A 101 -6.856 -3.190 7.088 1.00 30.34 H new ATOM 0 HB2 LEU A 101 -5.123 -4.736 8.959 1.00 21.44 H new ATOM 0 HB3 LEU A 101 -6.850 -4.975 9.134 1.00 21.44 H new ATOM 0 HG LEU A 101 -6.562 -5.249 6.426 1.00 50.22 H new ATOM 0 HD11 LEU A 101 -4.623 -6.721 6.057 1.00 52.34 H new ATOM 0 HD12 LEU A 101 -4.126 -5.084 6.548 1.00 52.34 H new ATOM 0 HD13 LEU A 101 -4.081 -6.419 7.725 1.00 52.34 H new ATOM 0 HD21 LEU A 101 -6.757 -7.669 6.850 1.00 24.24 H new ATOM 0 HD22 LEU A 101 -6.301 -7.403 8.550 1.00 24.24 H new ATOM 0 HD23 LEU A 101 -7.820 -6.724 7.919 1.00 24.24 H new ATOM 1496 N SER A 102 -6.568 -2.290 10.261 1.00 63.43 N ATOM 1497 CA SER A 102 -7.269 -1.637 11.360 1.00 14.42 C ATOM 1498 C SER A 102 -8.049 -0.424 10.862 1.00 62.20 C ATOM 1499 O SER A 102 -9.241 -0.285 11.133 1.00 3.22 O ATOM 1500 CB SER A 102 -6.277 -1.209 12.443 1.00 24.45 C ATOM 1501 OG SER A 102 -6.913 -1.104 13.705 1.00 21.31 O ATOM 0 H SER A 102 -5.601 -2.540 10.467 1.00 63.43 H new ATOM 0 HA SER A 102 -7.974 -2.352 11.785 1.00 14.42 H new ATOM 0 HB2 SER A 102 -5.463 -1.932 12.501 1.00 24.45 H new ATOM 0 HB3 SER A 102 -5.833 -0.250 12.175 1.00 24.45 H new ATOM 0 HG SER A 102 -6.257 -0.831 14.380 1.00 21.31 H new ATOM 1507 N ALA A 103 -7.366 0.452 10.132 1.00 52.31 N ATOM 1508 CA ALA A 103 -7.994 1.652 9.594 1.00 72.41 C ATOM 1509 C ALA A 103 -9.287 1.313 8.859 1.00 63.03 C ATOM 1510 O ALA A 103 -10.343 1.877 9.146 1.00 15.01 O ATOM 1511 CB ALA A 103 -7.033 2.381 8.666 1.00 74.12 C ATOM 0 H ALA A 103 -6.378 0.353 9.900 1.00 52.31 H new ATOM 0 HA ALA A 103 -8.242 2.307 10.429 1.00 72.41 H new ATOM 0 HB1 ALA A 103 -7.516 3.275 8.272 1.00 74.12 H new ATOM 0 HB2 ALA A 103 -6.138 2.666 9.220 1.00 74.12 H new ATOM 0 HB3 ALA A 103 -6.756 1.725 7.841 1.00 74.12 H new ATOM 1517 N LEU A 104 -9.196 0.389 7.908 1.00 13.14 N ATOM 1518 CA LEU A 104 -10.360 -0.026 7.131 1.00 3.51 C ATOM 1519 C LEU A 104 -11.493 -0.480 8.046 1.00 5.12 C ATOM 1520 O LEU A 104 -12.668 -0.312 7.724 1.00 23.51 O ATOM 1521 CB LEU A 104 -9.980 -1.155 6.172 1.00 51.34 C ATOM 1522 CG LEU A 104 -10.624 -2.513 6.445 1.00 72.53 C ATOM 1523 CD1 LEU A 104 -12.054 -2.540 5.928 1.00 71.14 C ATOM 1524 CD2 LEU A 104 -9.805 -3.630 5.813 1.00 14.21 C ATOM 0 H LEU A 104 -8.329 -0.087 7.656 1.00 13.14 H new ATOM 0 HA LEU A 104 -10.706 0.832 6.555 1.00 3.51 H new ATOM 0 HB2 LEU A 104 -10.242 -0.848 5.160 1.00 51.34 H new ATOM 0 HB3 LEU A 104 -8.897 -1.277 6.198 1.00 51.34 H new ATOM 0 HG LEU A 104 -10.646 -2.672 7.523 1.00 72.53 H new ATOM 0 HD11 LEU A 104 -12.496 -3.515 6.132 1.00 71.14 H new ATOM 0 HD12 LEU A 104 -12.636 -1.766 6.428 1.00 71.14 H new ATOM 0 HD13 LEU A 104 -12.056 -2.358 4.853 1.00 71.14 H new ATOM 0 HD21 LEU A 104 -10.279 -4.590 6.018 1.00 14.21 H new ATOM 0 HD22 LEU A 104 -9.750 -3.476 4.735 1.00 14.21 H new ATOM 0 HD23 LEU A 104 -8.799 -3.626 6.232 1.00 14.21 H new ATOM 1536 N MET A 105 -11.129 -1.053 9.189 1.00 35.10 N ATOM 1537 CA MET A 105 -12.115 -1.529 10.151 1.00 35.15 C ATOM 1538 C MET A 105 -12.696 -0.368 10.953 1.00 54.42 C ATOM 1539 O MET A 105 -13.885 -0.356 11.274 1.00 2.21 O ATOM 1540 CB MET A 105 -11.486 -2.552 11.099 1.00 43.25 C ATOM 1541 CG MET A 105 -11.210 -3.895 10.444 1.00 62.33 C ATOM 1542 SD MET A 105 -11.751 -5.286 11.457 1.00 11.14 S ATOM 1543 CE MET A 105 -13.024 -5.990 10.413 1.00 61.43 C ATOM 0 H MET A 105 -10.160 -1.199 9.471 1.00 35.10 H new ATOM 0 HA MET A 105 -12.923 -2.007 9.597 1.00 35.15 H new ATOM 0 HB2 MET A 105 -10.552 -2.148 11.489 1.00 43.25 H new ATOM 0 HB3 MET A 105 -12.149 -2.702 11.951 1.00 43.25 H new ATOM 0 HG2 MET A 105 -11.715 -3.935 9.479 1.00 62.33 H new ATOM 0 HG3 MET A 105 -10.142 -3.987 10.248 1.00 62.33 H new ATOM 0 HE1 MET A 105 -13.456 -6.862 10.904 1.00 61.43 H new ATOM 0 HE2 MET A 105 -13.804 -5.248 10.239 1.00 61.43 H new ATOM 0 HE3 MET A 105 -12.589 -6.289 9.459 1.00 61.43 H new ATOM 1553 N ARG A 106 -11.850 0.606 11.273 1.00 60.33 N ATOM 1554 CA ARG A 106 -12.280 1.770 12.038 1.00 32.04 C ATOM 1555 C ARG A 106 -13.183 2.669 11.200 1.00 42.35 C ATOM 1556 O ARG A 106 -13.894 3.521 11.730 1.00 42.44 O ATOM 1557 CB ARG A 106 -11.066 2.562 12.527 1.00 1.10 C ATOM 1558 CG ARG A 106 -10.237 1.827 13.566 1.00 23.32 C ATOM 1559 CD ARG A 106 -9.016 2.635 13.979 1.00 72.31 C ATOM 1560 NE ARG A 106 -9.365 3.737 14.871 1.00 32.53 N ATOM 1561 CZ ARG A 106 -9.761 4.931 14.445 1.00 20.43 C ATOM 1562 NH1 ARG A 106 -9.857 5.175 13.146 1.00 41.34 N ATOM 1563 NH2 ARG A 106 -10.061 5.883 15.319 1.00 34.20 N ATOM 0 H ARG A 106 -10.863 0.612 11.014 1.00 60.33 H new ATOM 0 HA ARG A 106 -12.847 1.417 12.900 1.00 32.04 H new ATOM 0 HB2 ARG A 106 -10.432 2.803 11.673 1.00 1.10 H new ATOM 0 HB3 ARG A 106 -11.406 3.508 12.949 1.00 1.10 H new ATOM 0 HG2 ARG A 106 -10.851 1.620 14.443 1.00 23.32 H new ATOM 0 HG3 ARG A 106 -9.919 0.865 13.165 1.00 23.32 H new ATOM 0 HD2 ARG A 106 -8.299 1.981 14.475 1.00 72.31 H new ATOM 0 HD3 ARG A 106 -8.525 3.030 13.090 1.00 72.31 H new ATOM 0 HE ARG A 106 -9.301 3.581 15.877 1.00 32.53 H new ATOM 0 HH11 ARG A 106 -9.627 4.445 12.472 1.00 41.34 H new ATOM 0 HH12 ARG A 106 -10.161 6.093 12.821 1.00 41.34 H new ATOM 0 HH21 ARG A 106 -9.988 5.698 16.319 1.00 34.20 H new ATOM 0 HH22 ARG A 106 -10.365 6.800 14.990 1.00 34.20 H new ATOM 1577 N GLY A 107 -13.148 2.473 9.884 1.00 35.55 N ATOM 1578 CA GLY A 107 -13.967 3.274 8.993 1.00 71.30 C ATOM 1579 C GLY A 107 -13.185 4.395 8.338 1.00 34.24 C ATOM 1580 O GLY A 107 -13.720 5.481 8.105 1.00 71.45 O ATOM 0 H GLY A 107 -12.567 1.774 9.420 1.00 35.55 H new ATOM 0 HA2 GLY A 107 -14.393 2.633 8.221 1.00 71.30 H new ATOM 0 HA3 GLY A 107 -14.802 3.696 9.553 1.00 71.30 H new ATOM 1584 N LEU A 108 -11.917 4.136 8.043 1.00 32.34 N ATOM 1585 CA LEU A 108 -11.059 5.132 7.413 1.00 51.54 C ATOM 1586 C LEU A 108 -10.884 4.840 5.927 1.00 70.34 C ATOM 1587 O LEU A 108 -10.930 5.746 5.093 1.00 33.42 O ATOM 1588 CB LEU A 108 -9.693 5.168 8.102 1.00 70.01 C ATOM 1589 CG LEU A 108 -9.705 5.472 9.600 1.00 30.42 C ATOM 1590 CD1 LEU A 108 -8.371 5.101 10.230 1.00 13.40 C ATOM 1591 CD2 LEU A 108 -10.023 6.940 9.844 1.00 75.30 C ATOM 0 H LEU A 108 -11.460 3.244 8.230 1.00 32.34 H new ATOM 0 HA LEU A 108 -11.538 6.105 7.519 1.00 51.54 H new ATOM 0 HB2 LEU A 108 -9.207 4.204 7.951 1.00 70.01 H new ATOM 0 HB3 LEU A 108 -9.077 5.917 7.604 1.00 70.01 H new ATOM 0 HG LEU A 108 -10.484 4.870 10.068 1.00 30.42 H new ATOM 0 HD11 LEU A 108 -8.398 5.324 11.297 1.00 13.40 H new ATOM 0 HD12 LEU A 108 -8.184 4.037 10.087 1.00 13.40 H new ATOM 0 HD13 LEU A 108 -7.574 5.676 9.759 1.00 13.40 H new ATOM 0 HD21 LEU A 108 -10.027 7.138 10.916 1.00 75.30 H new ATOM 0 HD22 LEU A 108 -9.267 7.561 9.363 1.00 75.30 H new ATOM 0 HD23 LEU A 108 -11.003 7.174 9.428 1.00 75.30 H new ATOM 1603 N LEU A 109 -10.685 3.567 5.599 1.00 4.32 N ATOM 1604 CA LEU A 109 -10.505 3.153 4.212 1.00 31.41 C ATOM 1605 C LEU A 109 -11.802 2.589 3.641 1.00 64.15 C ATOM 1606 O LEU A 109 -12.861 2.699 4.256 1.00 50.31 O ATOM 1607 CB LEU A 109 -9.392 2.108 4.111 1.00 14.24 C ATOM 1608 CG LEU A 109 -8.152 2.363 4.969 1.00 33.41 C ATOM 1609 CD1 LEU A 109 -7.286 1.114 5.038 1.00 2.45 C ATOM 1610 CD2 LEU A 109 -7.356 3.537 4.419 1.00 43.22 C ATOM 0 H LEU A 109 -10.644 2.804 6.275 1.00 4.32 H new ATOM 0 HA LEU A 109 -10.224 4.030 3.629 1.00 31.41 H new ATOM 0 HB2 LEU A 109 -9.806 1.138 4.386 1.00 14.24 H new ATOM 0 HB3 LEU A 109 -9.080 2.038 3.069 1.00 14.24 H new ATOM 0 HG LEU A 109 -8.476 2.612 5.979 1.00 33.41 H new ATOM 0 HD11 LEU A 109 -6.408 1.313 5.652 1.00 2.45 H new ATOM 0 HD12 LEU A 109 -7.859 0.298 5.478 1.00 2.45 H new ATOM 0 HD13 LEU A 109 -6.970 0.835 4.033 1.00 2.45 H new ATOM 0 HD21 LEU A 109 -6.477 3.704 5.042 1.00 43.22 H new ATOM 0 HD22 LEU A 109 -7.041 3.317 3.399 1.00 43.22 H new ATOM 0 HD23 LEU A 109 -7.978 4.432 4.422 1.00 43.22 H new ATOM 1622 N GLU A 110 -11.709 1.983 2.460 1.00 4.53 N ATOM 1623 CA GLU A 110 -12.874 1.401 1.807 1.00 21.03 C ATOM 1624 C GLU A 110 -12.454 0.473 0.671 1.00 71.51 C ATOM 1625 O GLU A 110 -11.887 0.913 -0.329 1.00 43.34 O ATOM 1626 CB GLU A 110 -13.788 2.503 1.268 1.00 10.11 C ATOM 1627 CG GLU A 110 -15.226 2.055 1.063 1.00 2.42 C ATOM 1628 CD GLU A 110 -16.111 2.372 2.253 1.00 62.04 C ATOM 1629 OE1 GLU A 110 -15.787 1.921 3.371 1.00 30.31 O ATOM 1630 OE2 GLU A 110 -17.128 3.073 2.065 1.00 30.14 O ATOM 0 H GLU A 110 -10.839 1.883 1.938 1.00 4.53 H new ATOM 0 HA GLU A 110 -13.419 0.817 2.548 1.00 21.03 H new ATOM 0 HB2 GLU A 110 -13.774 3.346 1.959 1.00 10.11 H new ATOM 0 HB3 GLU A 110 -13.389 2.862 0.319 1.00 10.11 H new ATOM 0 HG2 GLU A 110 -15.631 2.540 0.175 1.00 2.42 H new ATOM 0 HG3 GLU A 110 -15.245 0.981 0.877 1.00 2.42 H new ATOM 1637 N LEU A 111 -12.736 -0.816 0.833 1.00 13.32 N ATOM 1638 CA LEU A 111 -12.388 -1.808 -0.178 1.00 62.23 C ATOM 1639 C LEU A 111 -13.488 -1.924 -1.229 1.00 43.53 C ATOM 1640 O LEU A 111 -14.595 -2.379 -0.938 1.00 25.24 O ATOM 1641 CB LEU A 111 -12.147 -3.170 0.477 1.00 41.53 C ATOM 1642 CG LEU A 111 -11.628 -4.275 -0.443 1.00 41.04 C ATOM 1643 CD1 LEU A 111 -10.109 -4.251 -0.503 1.00 13.33 C ATOM 1644 CD2 LEU A 111 -12.125 -5.635 0.024 1.00 43.25 C ATOM 0 H LEU A 111 -13.204 -1.198 1.655 1.00 13.32 H new ATOM 0 HA LEU A 111 -11.473 -1.482 -0.671 1.00 62.23 H new ATOM 0 HB2 LEU A 111 -11.434 -3.038 1.291 1.00 41.53 H new ATOM 0 HB3 LEU A 111 -13.083 -3.506 0.924 1.00 41.53 H new ATOM 0 HG LEU A 111 -12.013 -4.096 -1.447 1.00 41.04 H new ATOM 0 HD11 LEU A 111 -9.758 -5.045 -1.163 1.00 13.33 H new ATOM 0 HD12 LEU A 111 -9.775 -3.287 -0.886 1.00 13.33 H new ATOM 0 HD13 LEU A 111 -9.703 -4.404 0.497 1.00 13.33 H new ATOM 0 HD21 LEU A 111 -11.746 -6.410 -0.643 1.00 43.25 H new ATOM 0 HD22 LEU A 111 -11.771 -5.823 1.038 1.00 43.25 H new ATOM 0 HD23 LEU A 111 -13.215 -5.648 0.012 1.00 43.25 H new ATOM 1656 N LYS A 112 -13.175 -1.511 -2.452 1.00 62.44 N ATOM 1657 CA LYS A 112 -14.134 -1.572 -3.549 1.00 52.34 C ATOM 1658 C LYS A 112 -14.098 -2.936 -4.230 1.00 33.12 C ATOM 1659 O LYS A 112 -15.139 -3.544 -4.481 1.00 13.12 O ATOM 1660 CB LYS A 112 -13.840 -0.472 -4.572 1.00 54.24 C ATOM 1661 CG LYS A 112 -14.437 0.875 -4.205 1.00 51.14 C ATOM 1662 CD LYS A 112 -15.198 1.484 -5.371 1.00 13.21 C ATOM 1663 CE LYS A 112 -14.254 2.083 -6.402 1.00 2.35 C ATOM 1664 NZ LYS A 112 -14.738 3.403 -6.896 1.00 65.44 N ATOM 0 H LYS A 112 -12.264 -1.130 -2.709 1.00 62.44 H new ATOM 0 HA LYS A 112 -15.131 -1.419 -3.135 1.00 52.34 H new ATOM 0 HB2 LYS A 112 -12.760 -0.365 -4.678 1.00 54.24 H new ATOM 0 HB3 LYS A 112 -14.227 -0.779 -5.544 1.00 54.24 H new ATOM 0 HG2 LYS A 112 -15.107 0.757 -3.354 1.00 51.14 H new ATOM 0 HG3 LYS A 112 -13.643 1.553 -3.894 1.00 51.14 H new ATOM 0 HD2 LYS A 112 -15.815 0.720 -5.843 1.00 13.21 H new ATOM 0 HD3 LYS A 112 -15.873 2.256 -5.002 1.00 13.21 H new ATOM 0 HE2 LYS A 112 -13.263 2.201 -5.963 1.00 2.35 H new ATOM 0 HE3 LYS A 112 -14.151 1.396 -7.242 1.00 2.35 H new ATOM 0 HZ1 LYS A 112 -14.068 3.778 -7.597 1.00 65.44 H new ATOM 0 HZ2 LYS A 112 -15.672 3.287 -7.338 1.00 65.44 H new ATOM 0 HZ3 LYS A 112 -14.812 4.066 -6.098 1.00 65.44 H new ATOM 1678 N LYS A 113 -12.894 -3.415 -4.523 1.00 52.43 N ATOM 1679 CA LYS A 113 -12.721 -4.708 -5.172 1.00 70.55 C ATOM 1680 C LYS A 113 -12.543 -5.816 -4.138 1.00 62.12 C ATOM 1681 O LYS A 113 -12.670 -5.583 -2.937 1.00 60.11 O ATOM 1682 CB LYS A 113 -11.514 -4.674 -6.111 1.00 61.44 C ATOM 1683 CG LYS A 113 -11.887 -4.536 -7.577 1.00 23.21 C ATOM 1684 CD LYS A 113 -12.131 -3.085 -7.957 1.00 4.15 C ATOM 1685 CE LYS A 113 -13.568 -2.859 -8.400 1.00 11.23 C ATOM 1686 NZ LYS A 113 -13.736 -1.550 -9.089 1.00 14.32 N ATOM 0 H LYS A 113 -12.022 -2.926 -4.321 1.00 52.43 H new ATOM 0 HA LYS A 113 -13.619 -4.917 -5.753 1.00 70.55 H new ATOM 0 HB2 LYS A 113 -10.868 -3.842 -5.829 1.00 61.44 H new ATOM 0 HB3 LYS A 113 -10.934 -5.587 -5.977 1.00 61.44 H new ATOM 0 HG2 LYS A 113 -11.089 -4.946 -8.196 1.00 23.21 H new ATOM 0 HG3 LYS A 113 -12.783 -5.122 -7.782 1.00 23.21 H new ATOM 0 HD2 LYS A 113 -11.906 -2.442 -7.106 1.00 4.15 H new ATOM 0 HD3 LYS A 113 -11.452 -2.799 -8.760 1.00 4.15 H new ATOM 0 HE2 LYS A 113 -13.873 -3.664 -9.069 1.00 11.23 H new ATOM 0 HE3 LYS A 113 -14.226 -2.900 -7.532 1.00 11.23 H new ATOM 0 HZ1 LYS A 113 -14.729 -1.433 -9.375 1.00 14.32 H new ATOM 0 HZ2 LYS A 113 -13.470 -0.780 -8.442 1.00 14.32 H new ATOM 0 HZ3 LYS A 113 -13.127 -1.520 -9.931 1.00 14.32 H new ATOM 1700 N GLY A 114 -12.246 -7.021 -4.614 1.00 35.54 N ATOM 1701 CA GLY A 114 -12.054 -8.146 -3.717 1.00 33.35 C ATOM 1702 C GLY A 114 -12.994 -8.107 -2.529 1.00 35.02 C ATOM 1703 O GLY A 114 -14.093 -7.558 -2.613 1.00 53.05 O ATOM 0 H GLY A 114 -12.135 -7.239 -5.604 1.00 35.54 H new ATOM 0 HA2 GLY A 114 -12.206 -9.075 -4.267 1.00 33.35 H new ATOM 0 HA3 GLY A 114 -11.024 -8.151 -3.361 1.00 33.35 H new ATOM 1707 N THR A 115 -12.565 -8.694 -1.416 1.00 60.23 N ATOM 1708 CA THR A 115 -13.378 -8.728 -0.207 1.00 1.42 C ATOM 1709 C THR A 115 -12.508 -8.850 1.038 1.00 1.31 C ATOM 1710 O THR A 115 -11.391 -9.366 0.978 1.00 71.23 O ATOM 1711 CB THR A 115 -14.380 -9.898 -0.235 1.00 22.13 C ATOM 1712 OG1 THR A 115 -15.408 -9.687 0.741 1.00 62.23 O ATOM 1713 CG2 THR A 115 -13.677 -11.219 0.040 1.00 40.10 C ATOM 0 H THR A 115 -11.658 -9.153 -1.327 1.00 60.23 H new ATOM 0 HA THR A 115 -13.929 -7.788 -0.172 1.00 1.42 H new ATOM 0 HB THR A 115 -14.826 -9.941 -1.229 1.00 22.13 H new ATOM 0 HG1 THR A 115 -16.042 -10.434 0.716 1.00 62.23 H new ATOM 0 HG21 THR A 115 -14.404 -12.030 0.015 1.00 40.10 H new ATOM 0 HG22 THR A 115 -12.915 -11.391 -0.721 1.00 40.10 H new ATOM 0 HG23 THR A 115 -13.207 -11.183 1.023 1.00 40.10 H new ATOM 1721 N ILE A 116 -13.024 -8.371 2.165 1.00 23.25 N ATOM 1722 CA ILE A 116 -12.293 -8.429 3.425 1.00 4.11 C ATOM 1723 C ILE A 116 -12.186 -9.862 3.934 1.00 33.01 C ATOM 1724 O ILE A 116 -11.223 -10.221 4.612 1.00 15.34 O ATOM 1725 CB ILE A 116 -12.964 -7.561 4.506 1.00 42.35 C ATOM 1726 CG1 ILE A 116 -12.020 -7.368 5.695 1.00 41.21 C ATOM 1727 CG2 ILE A 116 -14.272 -8.194 4.957 1.00 3.21 C ATOM 1728 CD1 ILE A 116 -12.125 -6.001 6.334 1.00 34.30 C ATOM 0 H ILE A 116 -13.945 -7.938 2.231 1.00 23.25 H new ATOM 0 HA ILE A 116 -11.294 -8.041 3.227 1.00 4.11 H new ATOM 0 HB ILE A 116 -13.185 -6.582 4.080 1.00 42.35 H new ATOM 0 HG12 ILE A 116 -12.234 -8.129 6.446 1.00 41.21 H new ATOM 0 HG13 ILE A 116 -10.994 -7.527 5.364 1.00 41.21 H new ATOM 0 HG21 ILE A 116 -14.734 -7.569 5.721 1.00 3.21 H new ATOM 0 HG22 ILE A 116 -14.946 -8.283 4.105 1.00 3.21 H new ATOM 0 HG23 ILE A 116 -14.074 -9.184 5.369 1.00 3.21 H new ATOM 0 HD11 ILE A 116 -11.428 -5.935 7.169 1.00 34.30 H new ATOM 0 HD12 ILE A 116 -11.882 -5.235 5.597 1.00 34.30 H new ATOM 0 HD13 ILE A 116 -13.141 -5.846 6.696 1.00 34.30 H new ATOM 1740 N ALA A 117 -13.180 -10.678 3.600 1.00 34.11 N ATOM 1741 CA ALA A 117 -13.197 -12.074 4.021 1.00 44.54 C ATOM 1742 C ALA A 117 -11.987 -12.825 3.476 1.00 62.44 C ATOM 1743 O ALA A 117 -11.729 -13.966 3.858 1.00 72.35 O ATOM 1744 CB ALA A 117 -14.485 -12.745 3.568 1.00 34.43 C ATOM 0 H ALA A 117 -13.984 -10.397 3.039 1.00 34.11 H new ATOM 0 HA ALA A 117 -13.149 -12.101 5.110 1.00 44.54 H new ATOM 0 HB1 ALA A 117 -14.485 -13.787 3.889 1.00 34.43 H new ATOM 0 HB2 ALA A 117 -15.338 -12.230 4.009 1.00 34.43 H new ATOM 0 HB3 ALA A 117 -14.556 -12.700 2.481 1.00 34.43 H new ATOM 1750 N ALA A 118 -11.249 -12.178 2.580 1.00 64.22 N ATOM 1751 CA ALA A 118 -10.065 -12.786 1.983 1.00 51.51 C ATOM 1752 C ALA A 118 -8.801 -12.376 2.731 1.00 34.42 C ATOM 1753 O ALA A 118 -7.721 -12.912 2.485 1.00 64.23 O ATOM 1754 CB ALA A 118 -9.959 -12.402 0.515 1.00 45.05 C ATOM 0 H ALA A 118 -11.450 -11.233 2.251 1.00 64.22 H new ATOM 0 HA ALA A 118 -10.165 -13.869 2.058 1.00 51.51 H new ATOM 0 HB1 ALA A 118 -9.071 -12.862 0.082 1.00 45.05 H new ATOM 0 HB2 ALA A 118 -10.844 -12.750 -0.017 1.00 45.05 H new ATOM 0 HB3 ALA A 118 -9.885 -11.318 0.427 1.00 45.05 H new ATOM 1760 N LEU A 119 -8.944 -11.423 3.646 1.00 34.14 N ATOM 1761 CA LEU A 119 -7.814 -10.941 4.432 1.00 64.25 C ATOM 1762 C LEU A 119 -7.858 -11.498 5.850 1.00 21.55 C ATOM 1763 O LEU A 119 -6.971 -11.233 6.660 1.00 4.13 O ATOM 1764 CB LEU A 119 -7.811 -9.412 4.472 1.00 4.00 C ATOM 1765 CG LEU A 119 -8.207 -8.705 3.175 1.00 31.03 C ATOM 1766 CD1 LEU A 119 -8.469 -7.229 3.431 1.00 11.23 C ATOM 1767 CD2 LEU A 119 -7.126 -8.882 2.119 1.00 12.44 C ATOM 0 H LEU A 119 -9.832 -10.969 3.862 1.00 34.14 H new ATOM 0 HA LEU A 119 -6.898 -11.288 3.955 1.00 64.25 H new ATOM 0 HB2 LEU A 119 -8.490 -9.088 5.261 1.00 4.00 H new ATOM 0 HB3 LEU A 119 -6.812 -9.078 4.754 1.00 4.00 H new ATOM 0 HG LEU A 119 -9.126 -9.157 2.803 1.00 31.03 H new ATOM 0 HD11 LEU A 119 -8.749 -6.742 2.497 1.00 11.23 H new ATOM 0 HD12 LEU A 119 -9.279 -7.123 4.153 1.00 11.23 H new ATOM 0 HD13 LEU A 119 -7.567 -6.763 3.827 1.00 11.23 H new ATOM 0 HD21 LEU A 119 -7.425 -8.372 1.203 1.00 12.44 H new ATOM 0 HD22 LEU A 119 -6.190 -8.457 2.482 1.00 12.44 H new ATOM 0 HD23 LEU A 119 -6.987 -9.944 1.915 1.00 12.44 H new ATOM 1779 N ALA A 120 -8.896 -12.276 6.143 1.00 51.33 N ATOM 1780 CA ALA A 120 -9.053 -12.875 7.462 1.00 12.14 C ATOM 1781 C ALA A 120 -7.745 -13.493 7.944 1.00 13.10 C ATOM 1782 O ALA A 120 -7.192 -13.109 8.975 1.00 32.42 O ATOM 1783 CB ALA A 120 -10.157 -13.922 7.438 1.00 61.30 C ATOM 0 H ALA A 120 -9.640 -12.506 5.484 1.00 51.33 H new ATOM 0 HA ALA A 120 -9.331 -12.086 8.161 1.00 12.14 H new ATOM 0 HB1 ALA A 120 -10.263 -14.361 8.430 1.00 61.30 H new ATOM 0 HB2 ALA A 120 -11.097 -13.453 7.146 1.00 61.30 H new ATOM 0 HB3 ALA A 120 -9.903 -14.702 6.721 1.00 61.30 H new ATOM 1789 N PRO A 121 -7.238 -14.474 7.183 1.00 64.11 N ATOM 1790 CA PRO A 121 -5.988 -15.166 7.513 1.00 73.12 C ATOM 1791 C PRO A 121 -4.767 -14.269 7.345 1.00 70.12 C ATOM 1792 O PRO A 121 -3.772 -14.419 8.055 1.00 23.14 O ATOM 1793 CB PRO A 121 -5.947 -16.321 6.509 1.00 42.30 C ATOM 1794 CG PRO A 121 -6.763 -15.849 5.356 1.00 75.30 C ATOM 1795 CD PRO A 121 -7.843 -14.981 5.940 1.00 31.23 C ATOM 0 HA PRO A 121 -5.962 -15.487 8.554 1.00 73.12 H new ATOM 0 HB2 PRO A 121 -4.925 -16.545 6.205 1.00 42.30 H new ATOM 0 HB3 PRO A 121 -6.359 -17.234 6.939 1.00 42.30 H new ATOM 0 HG2 PRO A 121 -6.152 -15.288 4.649 1.00 75.30 H new ATOM 0 HG3 PRO A 121 -7.191 -16.690 4.811 1.00 75.30 H new ATOM 0 HD2 PRO A 121 -8.115 -14.169 5.265 1.00 31.23 H new ATOM 0 HD3 PRO A 121 -8.752 -15.549 6.138 1.00 31.23 H new ATOM 1803 N TYR A 122 -4.848 -13.337 6.403 1.00 13.40 N ATOM 1804 CA TYR A 122 -3.748 -12.417 6.140 1.00 34.44 C ATOM 1805 C TYR A 122 -4.014 -11.054 6.774 1.00 20.44 C ATOM 1806 O TYR A 122 -3.918 -10.021 6.113 1.00 24.02 O ATOM 1807 CB TYR A 122 -3.536 -12.258 4.634 1.00 30.22 C ATOM 1808 CG TYR A 122 -3.685 -13.550 3.862 1.00 13.22 C ATOM 1809 CD1 TYR A 122 -2.688 -14.518 3.892 1.00 72.13 C ATOM 1810 CD2 TYR A 122 -4.821 -13.802 3.104 1.00 53.11 C ATOM 1811 CE1 TYR A 122 -2.820 -15.700 3.188 1.00 63.14 C ATOM 1812 CE2 TYR A 122 -4.962 -14.982 2.397 1.00 1.35 C ATOM 1813 CZ TYR A 122 -3.958 -15.927 2.442 1.00 32.54 C ATOM 1814 OH TYR A 122 -4.093 -17.102 1.740 1.00 32.32 O ATOM 0 H TYR A 122 -5.665 -13.198 5.808 1.00 13.40 H new ATOM 0 HA TYR A 122 -2.845 -12.835 6.585 1.00 34.44 H new ATOM 0 HB2 TYR A 122 -4.251 -11.530 4.250 1.00 30.22 H new ATOM 0 HB3 TYR A 122 -2.540 -11.851 4.457 1.00 30.22 H new ATOM 0 HD1 TYR A 122 -1.796 -14.344 4.475 1.00 72.13 H new ATOM 0 HD2 TYR A 122 -5.608 -13.063 3.066 1.00 53.11 H new ATOM 0 HE1 TYR A 122 -2.036 -16.442 3.222 1.00 63.14 H new ATOM 0 HE2 TYR A 122 -5.853 -15.163 1.813 1.00 1.35 H new ATOM 0 HH TYR A 122 -4.952 -17.105 1.269 1.00 32.32 H new ATOM 1824 N ALA A 123 -4.348 -11.063 8.061 1.00 54.44 N ATOM 1825 CA ALA A 123 -4.626 -9.830 8.786 1.00 40.54 C ATOM 1826 C ALA A 123 -3.367 -9.292 9.456 1.00 2.22 C ATOM 1827 O ALA A 123 -3.271 -8.102 9.755 1.00 63.22 O ATOM 1828 CB ALA A 123 -5.720 -10.059 9.817 1.00 51.50 C ATOM 0 H ALA A 123 -4.432 -11.911 8.622 1.00 54.44 H new ATOM 0 HA ALA A 123 -4.970 -9.085 8.069 1.00 40.54 H new ATOM 0 HB1 ALA A 123 -5.917 -9.129 10.351 1.00 51.50 H new ATOM 0 HB2 ALA A 123 -6.630 -10.389 9.315 1.00 51.50 H new ATOM 0 HB3 ALA A 123 -5.399 -10.823 10.525 1.00 51.50 H new ATOM 1834 N GLN A 124 -2.403 -10.178 9.692 1.00 14.14 N ATOM 1835 CA GLN A 124 -1.151 -9.791 10.330 1.00 1.44 C ATOM 1836 C GLN A 124 -0.109 -9.395 9.289 1.00 2.31 C ATOM 1837 O GLN A 124 0.569 -8.378 9.431 1.00 12.32 O ATOM 1838 CB GLN A 124 -0.618 -10.937 11.192 1.00 74.12 C ATOM 1839 CG GLN A 124 -0.568 -12.271 10.466 1.00 64.42 C ATOM 1840 CD GLN A 124 0.032 -13.375 11.314 1.00 20.22 C ATOM 1841 OE1 GLN A 124 -0.416 -13.627 12.433 1.00 63.31 O ATOM 1842 NE2 GLN A 124 1.052 -14.041 10.786 1.00 51.24 N ATOM 0 H GLN A 124 -2.466 -11.167 9.451 1.00 14.14 H new ATOM 0 HA GLN A 124 -1.348 -8.928 10.966 1.00 1.44 H new ATOM 0 HB2 GLN A 124 0.384 -10.684 11.539 1.00 74.12 H new ATOM 0 HB3 GLN A 124 -1.246 -11.038 12.077 1.00 74.12 H new ATOM 0 HG2 GLN A 124 -1.577 -12.555 10.167 1.00 64.42 H new ATOM 0 HG3 GLN A 124 0.016 -12.161 9.552 1.00 64.42 H new ATOM 0 HE21 GLN A 124 1.392 -13.799 9.855 1.00 51.24 H new ATOM 0 HE22 GLN A 124 1.496 -14.794 11.311 1.00 51.24 H new ATOM 1851 N ALA A 125 0.013 -10.206 8.244 1.00 44.02 N ATOM 1852 CA ALA A 125 0.971 -9.940 7.178 1.00 53.43 C ATOM 1853 C ALA A 125 1.021 -8.452 6.844 1.00 73.52 C ATOM 1854 O ALA A 125 2.029 -7.952 6.348 1.00 4.34 O ATOM 1855 CB ALA A 125 0.621 -10.750 5.938 1.00 12.05 C ATOM 0 H ALA A 125 -0.540 -11.053 8.113 1.00 44.02 H new ATOM 0 HA ALA A 125 1.959 -10.241 7.527 1.00 53.43 H new ATOM 0 HB1 ALA A 125 1.345 -10.541 5.151 1.00 12.05 H new ATOM 0 HB2 ALA A 125 0.644 -11.813 6.179 1.00 12.05 H new ATOM 0 HB3 ALA A 125 -0.377 -10.477 5.595 1.00 12.05 H new ATOM 1861 N ALA A 126 -0.075 -7.752 7.118 1.00 11.24 N ATOM 1862 CA ALA A 126 -0.155 -6.322 6.848 1.00 13.00 C ATOM 1863 C ALA A 126 0.982 -5.570 7.531 1.00 42.44 C ATOM 1864 O ALA A 126 1.664 -4.759 6.905 1.00 51.03 O ATOM 1865 CB ALA A 126 -1.500 -5.774 7.301 1.00 0.42 C ATOM 0 H ALA A 126 -0.920 -8.152 7.527 1.00 11.24 H new ATOM 0 HA ALA A 126 -0.059 -6.174 5.772 1.00 13.00 H new ATOM 0 HB1 ALA A 126 -1.546 -4.705 7.093 1.00 0.42 H new ATOM 0 HB2 ALA A 126 -2.300 -6.283 6.763 1.00 0.42 H new ATOM 0 HB3 ALA A 126 -1.619 -5.941 8.372 1.00 0.42 H new ATOM 1871 N GLN A 127 1.180 -5.844 8.815 1.00 1.14 N ATOM 1872 CA GLN A 127 2.234 -5.192 9.582 1.00 0.43 C ATOM 1873 C GLN A 127 3.560 -5.230 8.828 1.00 14.32 C ATOM 1874 O GLN A 127 4.338 -4.279 8.877 1.00 43.14 O ATOM 1875 CB GLN A 127 2.391 -5.862 10.948 1.00 72.41 C ATOM 1876 CG GLN A 127 2.021 -4.961 12.116 1.00 61.34 C ATOM 1877 CD GLN A 127 2.307 -5.600 13.460 1.00 63.41 C ATOM 1878 OE1 GLN A 127 1.693 -6.603 13.827 1.00 42.50 O ATOM 1879 NE2 GLN A 127 3.243 -5.022 14.203 1.00 50.12 N ATOM 0 H GLN A 127 0.624 -6.514 9.347 1.00 1.14 H new ATOM 0 HA GLN A 127 1.950 -4.150 9.728 1.00 0.43 H new ATOM 0 HB2 GLN A 127 1.768 -6.756 10.978 1.00 72.41 H new ATOM 0 HB3 GLN A 127 3.424 -6.189 11.066 1.00 72.41 H new ATOM 0 HG2 GLN A 127 2.575 -4.025 12.038 1.00 61.34 H new ATOM 0 HG3 GLN A 127 0.962 -4.710 12.055 1.00 61.34 H new ATOM 0 HE21 GLN A 127 3.727 -4.192 13.859 1.00 50.12 H new ATOM 0 HE22 GLN A 127 3.479 -5.408 15.117 1.00 50.12 H new ATOM 1888 N GLU A 128 3.807 -6.336 8.134 1.00 34.02 N ATOM 1889 CA GLU A 128 5.039 -6.498 7.370 1.00 2.14 C ATOM 1890 C GLU A 128 5.091 -5.514 6.205 1.00 73.14 C ATOM 1891 O GLU A 128 6.013 -4.705 6.100 1.00 74.00 O ATOM 1892 CB GLU A 128 5.158 -7.932 6.849 1.00 12.31 C ATOM 1893 CG GLU A 128 5.129 -8.982 7.946 1.00 24.12 C ATOM 1894 CD GLU A 128 6.236 -8.791 8.966 1.00 72.05 C ATOM 1895 OE1 GLU A 128 7.356 -9.290 8.728 1.00 12.43 O ATOM 1896 OE2 GLU A 128 5.981 -8.143 10.002 1.00 14.31 O ATOM 0 H GLU A 128 3.172 -7.132 8.085 1.00 34.02 H new ATOM 0 HA GLU A 128 5.878 -6.291 8.034 1.00 2.14 H new ATOM 0 HB2 GLU A 128 4.343 -8.125 6.151 1.00 12.31 H new ATOM 0 HB3 GLU A 128 6.088 -8.030 6.288 1.00 12.31 H new ATOM 0 HG2 GLU A 128 4.164 -8.947 8.452 1.00 24.12 H new ATOM 0 HG3 GLU A 128 5.219 -9.972 7.499 1.00 24.12 H new ATOM 1903 N LEU A 129 4.094 -5.592 5.330 1.00 53.33 N ATOM 1904 CA LEU A 129 4.024 -4.709 4.170 1.00 22.21 C ATOM 1905 C LEU A 129 4.412 -3.283 4.547 1.00 70.11 C ATOM 1906 O LEU A 129 5.378 -2.731 4.020 1.00 40.10 O ATOM 1907 CB LEU A 129 2.615 -4.726 3.575 1.00 32.44 C ATOM 1908 CG LEU A 129 2.259 -5.951 2.731 1.00 35.11 C ATOM 1909 CD1 LEU A 129 0.773 -6.260 2.842 1.00 23.52 C ATOM 1910 CD2 LEU A 129 2.652 -5.730 1.278 1.00 5.42 C ATOM 0 H LEU A 129 3.324 -6.257 5.401 1.00 53.33 H new ATOM 0 HA LEU A 129 4.731 -5.073 3.424 1.00 22.21 H new ATOM 0 HB2 LEU A 129 1.896 -4.650 4.391 1.00 32.44 H new ATOM 0 HB3 LEU A 129 2.492 -3.836 2.958 1.00 32.44 H new ATOM 0 HG LEU A 129 2.818 -6.806 3.111 1.00 35.11 H new ATOM 0 HD11 LEU A 129 0.537 -7.134 2.235 1.00 23.52 H new ATOM 0 HD12 LEU A 129 0.520 -6.461 3.883 1.00 23.52 H new ATOM 0 HD13 LEU A 129 0.196 -5.406 2.487 1.00 23.52 H new ATOM 0 HD21 LEU A 129 2.391 -6.612 0.692 1.00 5.42 H new ATOM 0 HD22 LEU A 129 2.120 -4.863 0.885 1.00 5.42 H new ATOM 0 HD23 LEU A 129 3.726 -5.557 1.214 1.00 5.42 H new ATOM 1922 N VAL A 130 3.652 -2.692 5.464 1.00 4.43 N ATOM 1923 CA VAL A 130 3.919 -1.330 5.914 1.00 72.11 C ATOM 1924 C VAL A 130 5.348 -1.190 6.426 1.00 11.13 C ATOM 1925 O VAL A 130 6.026 -0.203 6.143 1.00 23.40 O ATOM 1926 CB VAL A 130 2.941 -0.906 7.027 1.00 63.24 C ATOM 1927 CG1 VAL A 130 2.973 -1.905 8.173 1.00 34.23 C ATOM 1928 CG2 VAL A 130 3.272 0.494 7.520 1.00 1.45 C ATOM 0 H VAL A 130 2.848 -3.134 5.909 1.00 4.43 H new ATOM 0 HA VAL A 130 3.781 -0.678 5.051 1.00 72.11 H new ATOM 0 HB VAL A 130 1.932 -0.893 6.616 1.00 63.24 H new ATOM 0 HG11 VAL A 130 2.276 -1.590 8.950 1.00 34.23 H new ATOM 0 HG12 VAL A 130 2.685 -2.890 7.805 1.00 34.23 H new ATOM 0 HG13 VAL A 130 3.980 -1.952 8.586 1.00 34.23 H new ATOM 0 HG21 VAL A 130 2.572 0.778 8.306 1.00 1.45 H new ATOM 0 HG22 VAL A 130 4.288 0.510 7.916 1.00 1.45 H new ATOM 0 HG23 VAL A 130 3.194 1.199 6.692 1.00 1.45 H new ATOM 1938 N LYS A 131 5.799 -2.184 7.183 1.00 62.20 N ATOM 1939 CA LYS A 131 7.148 -2.175 7.735 1.00 44.43 C ATOM 1940 C LYS A 131 8.168 -1.780 6.671 1.00 21.21 C ATOM 1941 O LYS A 131 8.800 -0.728 6.763 1.00 15.10 O ATOM 1942 CB LYS A 131 7.496 -3.551 8.306 1.00 25.52 C ATOM 1943 CG LYS A 131 8.393 -3.492 9.530 1.00 5.35 C ATOM 1944 CD LYS A 131 8.482 -4.841 10.223 1.00 4.25 C ATOM 1945 CE LYS A 131 9.002 -4.704 11.646 1.00 44.12 C ATOM 1946 NZ LYS A 131 8.753 -5.934 12.448 1.00 22.10 N ATOM 0 H LYS A 131 5.249 -3.007 7.429 1.00 62.20 H new ATOM 0 HA LYS A 131 7.182 -1.437 8.537 1.00 44.43 H new ATOM 0 HB2 LYS A 131 6.574 -4.071 8.566 1.00 25.52 H new ATOM 0 HB3 LYS A 131 7.988 -4.142 7.533 1.00 25.52 H new ATOM 0 HG2 LYS A 131 9.391 -3.167 9.235 1.00 5.35 H new ATOM 0 HG3 LYS A 131 8.009 -2.748 10.228 1.00 5.35 H new ATOM 0 HD2 LYS A 131 7.498 -5.309 10.238 1.00 4.25 H new ATOM 0 HD3 LYS A 131 9.140 -5.500 9.656 1.00 4.25 H new ATOM 0 HE2 LYS A 131 10.072 -4.496 11.623 1.00 44.12 H new ATOM 0 HE3 LYS A 131 8.521 -3.853 12.128 1.00 44.12 H new ATOM 0 HZ1 LYS A 131 9.122 -5.801 13.411 1.00 22.10 H new ATOM 0 HZ2 LYS A 131 7.731 -6.119 12.491 1.00 22.10 H new ATOM 0 HZ3 LYS A 131 9.233 -6.742 12.002 1.00 22.10 H new ATOM 1960 N VAL A 132 8.324 -2.631 5.662 1.00 21.24 N ATOM 1961 CA VAL A 132 9.265 -2.370 4.580 1.00 71.31 C ATOM 1962 C VAL A 132 8.878 -1.115 3.807 1.00 62.03 C ATOM 1963 O VAL A 132 9.741 -0.370 3.342 1.00 72.13 O ATOM 1964 CB VAL A 132 9.342 -3.559 3.603 1.00 11.31 C ATOM 1965 CG1 VAL A 132 10.335 -3.271 2.488 1.00 52.53 C ATOM 1966 CG2 VAL A 132 9.714 -4.834 4.345 1.00 63.42 C ATOM 0 H VAL A 132 7.810 -3.508 5.572 1.00 21.24 H new ATOM 0 HA VAL A 132 10.243 -2.224 5.039 1.00 71.31 H new ATOM 0 HB VAL A 132 8.360 -3.702 3.153 1.00 11.31 H new ATOM 0 HG11 VAL A 132 10.376 -4.122 1.808 1.00 52.53 H new ATOM 0 HG12 VAL A 132 10.019 -2.383 1.940 1.00 52.53 H new ATOM 0 HG13 VAL A 132 11.323 -3.101 2.916 1.00 52.53 H new ATOM 0 HG21 VAL A 132 9.764 -5.664 3.640 1.00 63.42 H new ATOM 0 HG22 VAL A 132 10.685 -4.706 4.824 1.00 63.42 H new ATOM 0 HG23 VAL A 132 8.960 -5.047 5.103 1.00 63.42 H new ATOM 1976 N ALA A 133 7.576 -0.887 3.672 1.00 60.14 N ATOM 1977 CA ALA A 133 7.074 0.280 2.956 1.00 21.32 C ATOM 1978 C ALA A 133 7.801 1.546 3.394 1.00 2.04 C ATOM 1979 O ALA A 133 8.054 2.440 2.586 1.00 21.24 O ATOM 1980 CB ALA A 133 5.576 0.427 3.173 1.00 70.30 C ATOM 0 H ALA A 133 6.849 -1.495 4.049 1.00 60.14 H new ATOM 0 HA ALA A 133 7.263 0.133 1.893 1.00 21.32 H new ATOM 0 HB1 ALA A 133 5.214 1.302 2.633 1.00 70.30 H new ATOM 0 HB2 ALA A 133 5.066 -0.463 2.805 1.00 70.30 H new ATOM 0 HB3 ALA A 133 5.373 0.548 4.237 1.00 70.30 H new ATOM 1986 N ARG A 134 8.133 1.618 4.680 1.00 44.15 N ATOM 1987 CA ARG A 134 8.830 2.777 5.225 1.00 60.51 C ATOM 1988 C ARG A 134 10.292 2.787 4.792 1.00 63.24 C ATOM 1989 O ARG A 134 10.816 3.815 4.364 1.00 63.23 O ATOM 1990 CB ARG A 134 8.740 2.780 6.752 1.00 11.25 C ATOM 1991 CG ARG A 134 7.329 2.984 7.279 1.00 72.04 C ATOM 1992 CD ARG A 134 7.121 2.274 8.607 1.00 21.53 C ATOM 1993 NE ARG A 134 7.109 3.207 9.730 1.00 22.52 N ATOM 1994 CZ ARG A 134 8.210 3.661 10.321 1.00 74.50 C ATOM 1995 NH1 ARG A 134 9.403 3.269 9.897 1.00 24.31 N ATOM 1996 NH2 ARG A 134 8.117 4.508 11.338 1.00 70.21 N ATOM 0 H ARG A 134 7.930 0.888 5.363 1.00 44.15 H new ATOM 0 HA ARG A 134 8.348 3.674 4.836 1.00 60.51 H new ATOM 0 HB2 ARG A 134 9.127 1.835 7.132 1.00 11.25 H new ATOM 0 HB3 ARG A 134 9.383 3.569 7.144 1.00 11.25 H new ATOM 0 HG2 ARG A 134 7.136 4.050 7.401 1.00 72.04 H new ATOM 0 HG3 ARG A 134 6.610 2.611 6.550 1.00 72.04 H new ATOM 0 HD2 ARG A 134 6.179 1.726 8.581 1.00 21.53 H new ATOM 0 HD3 ARG A 134 7.913 1.540 8.754 1.00 21.53 H new ATOM 0 HE ARG A 134 6.206 3.528 10.080 1.00 22.52 H new ATOM 0 HH11 ARG A 134 9.478 2.618 9.116 1.00 24.31 H new ATOM 0 HH12 ARG A 134 10.246 3.619 10.352 1.00 24.31 H new ATOM 0 HH21 ARG A 134 7.200 4.811 11.667 1.00 70.21 H new ATOM 0 HH22 ARG A 134 8.962 4.856 11.791 1.00 70.21 H new ATOM 2010 N GLU A 135 10.946 1.635 4.905 1.00 72.31 N ATOM 2011 CA GLU A 135 12.348 1.512 4.525 1.00 65.20 C ATOM 2012 C GLU A 135 12.629 2.264 3.228 1.00 51.32 C ATOM 2013 O GLU A 135 13.614 2.995 3.121 1.00 71.33 O ATOM 2014 CB GLU A 135 12.730 0.038 4.365 1.00 12.34 C ATOM 2015 CG GLU A 135 13.131 -0.631 5.670 1.00 63.21 C ATOM 2016 CD GLU A 135 14.614 -0.940 5.734 1.00 4.22 C ATOM 2017 OE1 GLU A 135 15.423 -0.004 5.561 1.00 74.23 O ATOM 2018 OE2 GLU A 135 14.967 -2.117 5.957 1.00 52.14 O ATOM 0 H GLU A 135 10.527 0.774 5.257 1.00 72.31 H new ATOM 0 HA GLU A 135 12.952 1.953 5.319 1.00 65.20 H new ATOM 0 HB2 GLU A 135 11.888 -0.502 3.933 1.00 12.34 H new ATOM 0 HB3 GLU A 135 13.555 -0.040 3.657 1.00 12.34 H new ATOM 0 HG2 GLU A 135 12.862 0.017 6.504 1.00 63.21 H new ATOM 0 HG3 GLU A 135 12.565 -1.555 5.789 1.00 63.21 H new ATOM 2025 N VAL A 136 11.755 2.080 2.242 1.00 24.13 N ATOM 2026 CA VAL A 136 11.908 2.740 0.952 1.00 42.43 C ATOM 2027 C VAL A 136 11.972 4.255 1.115 1.00 50.44 C ATOM 2028 O VAL A 136 13.001 4.875 0.850 1.00 42.51 O ATOM 2029 CB VAL A 136 10.751 2.386 0.000 1.00 71.33 C ATOM 2030 CG1 VAL A 136 10.969 3.020 -1.365 1.00 12.21 C ATOM 2031 CG2 VAL A 136 10.605 0.877 -0.122 1.00 63.32 C ATOM 0 H VAL A 136 10.934 1.479 2.313 1.00 24.13 H new ATOM 0 HA VAL A 136 12.844 2.383 0.522 1.00 42.43 H new ATOM 0 HB VAL A 136 9.826 2.786 0.416 1.00 71.33 H new ATOM 0 HG11 VAL A 136 10.141 2.759 -2.024 1.00 12.21 H new ATOM 0 HG12 VAL A 136 11.020 4.104 -1.259 1.00 12.21 H new ATOM 0 HG13 VAL A 136 11.902 2.653 -1.792 1.00 12.21 H new ATOM 0 HG21 VAL A 136 9.783 0.645 -0.799 1.00 63.32 H new ATOM 0 HG22 VAL A 136 11.529 0.453 -0.515 1.00 63.32 H new ATOM 0 HG23 VAL A 136 10.399 0.451 0.860 1.00 63.32 H new