USER MOD reduce.3.24.130724 H: found=0, std=0, add=948, rem=0, adj=13 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= 0.193 K(o=0.19,f=-0.88) USER MOD Single : A 19 TYR OH : rot 28:sc= 0.00733 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= -3.53! C(o=-3.5!,f=-3.1!) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot 0:sc= -0.765 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 55:sc= 0.0979 USER MOD Single : A 35 THR OG1 : rot 92:sc= -0.246! USER MOD Single : A 39 SER OG : rot -170:sc= 0.535 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 HIS :FLIP no HD1:sc= -0.143 F(o=-1.3,f=-0.14) 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= -0.302 K(o=-0.3,f=-2.9!) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 105 MET CE :methyl 161:sc= 0 (180deg=-0.307) 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= -0.0891 USER MOD Single : A 122 TYR OH : rot 180:sc= 0 USER MOD Single : A 124 GLN : amide:sc= -0.0895 K(o=-0.089,f=-5.6!) USER MOD Single : A 127 GLN : amide:sc= 0 X(o=0,f=-0.051) USER MOD Single : A 131 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 117 N PHE A 11 3.372 8.308 -3.668 1.00 10.42 N ATOM 118 CA PHE A 11 2.802 7.299 -4.552 1.00 22.24 C ATOM 119 C PHE A 11 3.287 7.495 -5.985 1.00 71.40 C ATOM 120 O PHE A 11 2.627 8.150 -6.792 1.00 61.32 O ATOM 121 CB PHE A 11 1.274 7.354 -4.506 1.00 64.35 C ATOM 122 CG PHE A 11 0.699 6.959 -3.176 1.00 20.31 C ATOM 123 CD1 PHE A 11 0.742 7.831 -2.100 1.00 40.33 C ATOM 124 CD2 PHE A 11 0.117 5.713 -3.001 1.00 13.24 C ATOM 125 CE1 PHE A 11 0.214 7.470 -0.876 1.00 23.24 C ATOM 126 CE2 PHE A 11 -0.414 5.347 -1.778 1.00 41.44 C ATOM 127 CZ PHE A 11 -0.364 6.226 -0.714 1.00 10.22 C ATOM 0 HA PHE A 11 3.133 6.320 -4.206 1.00 22.24 H new ATOM 0 HB2 PHE A 11 0.948 8.365 -4.748 1.00 64.35 H new ATOM 0 HB3 PHE A 11 0.872 6.696 -5.276 1.00 64.35 H new ATOM 0 HD1 PHE A 11 1.194 8.805 -2.220 1.00 40.33 H new ATOM 0 HD2 PHE A 11 0.078 5.021 -3.829 1.00 13.24 H new ATOM 0 HE1 PHE A 11 0.253 8.160 -0.046 1.00 23.24 H new ATOM 0 HE2 PHE A 11 -0.867 4.375 -1.655 1.00 41.44 H new ATOM 0 HZ PHE A 11 -0.776 5.941 0.243 1.00 10.22 H new ATOM 137 N THR A 12 4.447 6.923 -6.295 1.00 2.44 N ATOM 138 CA THR A 12 5.022 7.035 -7.629 1.00 44.41 C ATOM 139 C THR A 12 5.691 5.732 -8.051 1.00 42.52 C ATOM 140 O THR A 12 5.905 4.841 -7.231 1.00 74.12 O ATOM 141 CB THR A 12 6.054 8.177 -7.701 1.00 72.45 C ATOM 142 OG1 THR A 12 7.054 7.997 -6.693 1.00 70.11 O ATOM 143 CG2 THR A 12 5.380 9.528 -7.519 1.00 43.12 C ATOM 0 H THR A 12 5.006 6.377 -5.639 1.00 2.44 H new ATOM 0 HA THR A 12 4.200 7.254 -8.311 1.00 44.41 H new ATOM 0 HB THR A 12 6.522 8.153 -8.685 1.00 72.45 H new ATOM 0 HG1 THR A 12 7.707 8.726 -6.746 1.00 70.11 H new ATOM 0 HG21 THR A 12 6.129 10.318 -7.574 1.00 43.12 H new ATOM 0 HG22 THR A 12 4.640 9.674 -8.306 1.00 43.12 H new ATOM 0 HG23 THR A 12 4.888 9.561 -6.547 1.00 43.12 H new ATOM 151 N GLU A 13 6.022 5.631 -9.335 1.00 52.12 N ATOM 152 CA GLU A 13 6.668 4.435 -9.865 1.00 12.15 C ATOM 153 C GLU A 13 7.914 4.087 -9.055 1.00 75.25 C ATOM 154 O GLU A 13 8.265 2.917 -8.910 1.00 61.40 O ATOM 155 CB GLU A 13 7.040 4.638 -11.334 1.00 45.30 C ATOM 156 CG GLU A 13 6.900 3.382 -12.176 1.00 44.25 C ATOM 157 CD GLU A 13 7.795 3.398 -13.401 1.00 75.25 C ATOM 158 OE1 GLU A 13 7.748 4.393 -14.155 1.00 63.44 O ATOM 159 OE2 GLU A 13 8.540 2.417 -13.605 1.00 53.23 O ATOM 0 H GLU A 13 5.854 6.362 -10.027 1.00 52.12 H new ATOM 0 HA GLU A 13 5.963 3.607 -9.789 1.00 12.15 H new ATOM 0 HB2 GLU A 13 6.408 5.420 -11.755 1.00 45.30 H new ATOM 0 HB3 GLU A 13 8.069 4.993 -11.394 1.00 45.30 H new ATOM 0 HG2 GLU A 13 7.141 2.511 -11.566 1.00 44.25 H new ATOM 0 HG3 GLU A 13 5.862 3.274 -12.490 1.00 44.25 H new ATOM 166 N ALA A 14 8.579 5.112 -8.532 1.00 55.35 N ATOM 167 CA ALA A 14 9.784 4.915 -7.738 1.00 41.31 C ATOM 168 C ALA A 14 9.470 4.196 -6.431 1.00 52.31 C ATOM 169 O ALA A 14 10.238 3.348 -5.979 1.00 34.24 O ATOM 170 CB ALA A 14 10.456 6.252 -7.459 1.00 31.21 C ATOM 0 H ALA A 14 8.303 6.087 -8.644 1.00 55.35 H new ATOM 0 HA ALA A 14 10.468 4.289 -8.311 1.00 41.31 H new ATOM 0 HB1 ALA A 14 11.355 6.090 -6.865 1.00 31.21 H new ATOM 0 HB2 ALA A 14 10.725 6.728 -8.402 1.00 31.21 H new ATOM 0 HB3 ALA A 14 9.770 6.897 -6.910 1.00 31.21 H new ATOM 176 N TRP A 15 8.336 4.541 -5.830 1.00 4.32 N ATOM 177 CA TRP A 15 7.921 3.928 -4.573 1.00 63.14 C ATOM 178 C TRP A 15 7.280 2.567 -4.818 1.00 21.55 C ATOM 179 O TRP A 15 7.493 1.624 -4.055 1.00 41.54 O ATOM 180 CB TRP A 15 6.941 4.842 -3.836 1.00 23.32 C ATOM 181 CG TRP A 15 6.561 4.332 -2.478 1.00 0.14 C ATOM 182 CD1 TRP A 15 7.172 4.625 -1.293 1.00 4.52 C ATOM 183 CD2 TRP A 15 5.485 3.441 -2.167 1.00 75.05 C ATOM 184 NE1 TRP A 15 6.541 3.969 -0.264 1.00 32.15 N ATOM 185 CE2 TRP A 15 5.502 3.236 -0.774 1.00 21.31 C ATOM 186 CE3 TRP A 15 4.508 2.796 -2.931 1.00 13.45 C ATOM 187 CZ2 TRP A 15 4.580 2.414 -0.131 1.00 63.31 C ATOM 188 CZ3 TRP A 15 3.594 1.981 -2.291 1.00 72.40 C ATOM 189 CH2 TRP A 15 3.635 1.796 -0.903 1.00 1.03 C ATOM 0 H TRP A 15 7.689 5.241 -6.192 1.00 4.32 H new ATOM 0 HA TRP A 15 8.808 3.785 -3.956 1.00 63.14 H new ATOM 0 HB2 TRP A 15 7.385 5.832 -3.733 1.00 23.32 H new ATOM 0 HB3 TRP A 15 6.040 4.958 -4.438 1.00 23.32 H new ATOM 0 HD1 TRP A 15 8.026 5.277 -1.181 1.00 4.52 H new ATOM 0 HE1 TRP A 15 6.804 4.020 0.720 1.00 32.15 H new ATOM 0 HE3 TRP A 15 4.468 2.932 -4.002 1.00 13.45 H new ATOM 0 HZ2 TRP A 15 4.610 2.270 0.939 1.00 63.31 H new ATOM 0 HZ3 TRP A 15 2.835 1.478 -2.871 1.00 72.40 H new ATOM 0 HH2 TRP A 15 2.906 1.153 -0.433 1.00 1.03 H new ATOM 200 N ALA A 16 6.494 2.470 -5.886 1.00 3.21 N ATOM 201 CA ALA A 16 5.825 1.222 -6.232 1.00 1.34 C ATOM 202 C ALA A 16 6.835 0.140 -6.595 1.00 62.12 C ATOM 203 O ALA A 16 6.729 -0.998 -6.138 1.00 23.23 O ATOM 204 CB ALA A 16 4.852 1.447 -7.380 1.00 31.13 C ATOM 0 H ALA A 16 6.305 3.241 -6.526 1.00 3.21 H new ATOM 0 HA ALA A 16 5.268 0.882 -5.359 1.00 1.34 H new ATOM 0 HB1 ALA A 16 4.359 0.507 -7.629 1.00 31.13 H new ATOM 0 HB2 ALA A 16 4.104 2.182 -7.084 1.00 31.13 H new ATOM 0 HB3 ALA A 16 5.395 1.813 -8.251 1.00 31.13 H new ATOM 210 N GLN A 17 7.813 0.501 -7.419 1.00 54.25 N ATOM 211 CA GLN A 17 8.840 -0.441 -7.844 1.00 42.15 C ATOM 212 C GLN A 17 9.805 -0.747 -6.703 1.00 12.33 C ATOM 213 O GLN A 17 10.177 -1.900 -6.484 1.00 12.50 O ATOM 214 CB GLN A 17 9.611 0.118 -9.043 1.00 31.15 C ATOM 215 CG GLN A 17 8.752 0.307 -10.283 1.00 50.32 C ATOM 216 CD GLN A 17 9.130 -0.640 -11.404 1.00 30.14 C ATOM 217 OE1 GLN A 17 10.300 -0.986 -11.574 1.00 10.22 O ATOM 218 NE2 GLN A 17 8.139 -1.068 -12.177 1.00 14.00 N ATOM 0 H GLN A 17 7.915 1.439 -7.805 1.00 54.25 H new ATOM 0 HA GLN A 17 8.347 -1.368 -8.137 1.00 42.15 H new ATOM 0 HB2 GLN A 17 10.052 1.076 -8.767 1.00 31.15 H new ATOM 0 HB3 GLN A 17 10.435 -0.555 -9.281 1.00 31.15 H new ATOM 0 HG2 GLN A 17 7.705 0.155 -10.022 1.00 50.32 H new ATOM 0 HG3 GLN A 17 8.847 1.335 -10.633 1.00 50.32 H new ATOM 0 HE21 GLN A 17 7.184 -0.756 -12.001 1.00 14.00 H new ATOM 0 HE22 GLN A 17 8.333 -1.709 -12.947 1.00 14.00 H new ATOM 227 N ALA A 18 10.205 0.293 -5.979 1.00 24.14 N ATOM 228 CA ALA A 18 11.125 0.135 -4.859 1.00 71.32 C ATOM 229 C ALA A 18 10.474 -0.645 -3.721 1.00 64.43 C ATOM 230 O ALA A 18 11.107 -1.499 -3.100 1.00 22.22 O ATOM 231 CB ALA A 18 11.596 1.495 -4.368 1.00 1.31 C ATOM 0 H ALA A 18 9.907 1.254 -6.148 1.00 24.14 H new ATOM 0 HA ALA A 18 11.989 -0.432 -5.206 1.00 71.32 H new ATOM 0 HB1 ALA A 18 12.282 1.362 -3.532 1.00 1.31 H new ATOM 0 HB2 ALA A 18 12.107 2.017 -5.177 1.00 1.31 H new ATOM 0 HB3 ALA A 18 10.737 2.082 -4.043 1.00 1.31 H new ATOM 237 N TYR A 19 9.208 -0.344 -3.452 1.00 63.41 N ATOM 238 CA TYR A 19 8.474 -1.015 -2.386 1.00 61.41 C ATOM 239 C TYR A 19 8.143 -2.453 -2.774 1.00 32.54 C ATOM 240 O TYR A 19 8.069 -3.339 -1.920 1.00 41.54 O ATOM 241 CB TYR A 19 7.187 -0.252 -2.067 1.00 71.54 C ATOM 242 CG TYR A 19 6.295 -0.960 -1.072 1.00 12.35 C ATOM 243 CD1 TYR A 19 6.825 -1.556 0.066 1.00 40.35 C ATOM 244 CD2 TYR A 19 4.921 -1.030 -1.268 1.00 62.14 C ATOM 245 CE1 TYR A 19 6.014 -2.204 0.977 1.00 52.54 C ATOM 246 CE2 TYR A 19 4.102 -1.675 -0.362 1.00 0.31 C ATOM 247 CZ TYR A 19 4.653 -2.260 0.760 1.00 41.33 C ATOM 248 OH TYR A 19 3.841 -2.903 1.666 1.00 44.04 O ATOM 0 H TYR A 19 8.669 0.360 -3.957 1.00 63.41 H new ATOM 0 HA TYR A 19 9.107 -1.034 -1.499 1.00 61.41 H new ATOM 0 HB2 TYR A 19 7.445 0.732 -1.675 1.00 71.54 H new ATOM 0 HB3 TYR A 19 6.631 -0.091 -2.991 1.00 71.54 H new ATOM 0 HD1 TYR A 19 7.890 -1.512 0.241 1.00 40.35 H new ATOM 0 HD2 TYR A 19 4.486 -0.572 -2.144 1.00 62.14 H new ATOM 0 HE1 TYR A 19 6.443 -2.664 1.855 1.00 52.54 H new ATOM 0 HE2 TYR A 19 3.036 -1.721 -0.531 1.00 0.31 H new ATOM 0 HH TYR A 19 4.250 -2.866 2.556 1.00 44.04 H new ATOM 258 N CYS A 20 7.945 -2.679 -4.069 1.00 20.33 N ATOM 259 CA CYS A 20 7.622 -4.009 -4.572 1.00 33.31 C ATOM 260 C CYS A 20 8.827 -4.939 -4.463 1.00 71.03 C ATOM 261 O CYS A 20 8.679 -6.139 -4.227 1.00 11.43 O ATOM 262 CB CYS A 20 7.157 -3.926 -6.027 1.00 62.43 C ATOM 263 SG CYS A 20 6.753 -5.539 -6.772 1.00 23.43 S ATOM 0 H CYS A 20 8.003 -1.958 -4.789 1.00 20.33 H new ATOM 0 HA CYS A 20 6.816 -4.416 -3.962 1.00 33.31 H new ATOM 0 HB2 CYS A 20 6.278 -3.283 -6.080 1.00 62.43 H new ATOM 0 HB3 CYS A 20 7.937 -3.449 -6.620 1.00 62.43 H new ATOM 268 N ARG A 21 10.019 -4.378 -4.638 1.00 61.24 N ATOM 269 CA ARG A 21 11.249 -5.156 -4.561 1.00 21.34 C ATOM 270 C ARG A 21 11.708 -5.306 -3.114 1.00 33.35 C ATOM 271 O ARG A 21 12.133 -6.382 -2.693 1.00 3.31 O ATOM 272 CB ARG A 21 12.350 -4.494 -5.391 1.00 10.44 C ATOM 273 CG ARG A 21 12.735 -3.109 -4.896 1.00 11.10 C ATOM 274 CD ARG A 21 13.854 -2.510 -5.733 1.00 4.11 C ATOM 275 NE ARG A 21 15.173 -2.911 -5.250 1.00 72.22 N ATOM 276 CZ ARG A 21 16.312 -2.514 -5.808 1.00 31.12 C ATOM 277 NH1 ARG A 21 16.293 -1.709 -6.861 1.00 72.20 N ATOM 278 NH2 ARG A 21 17.472 -2.922 -5.311 1.00 5.25 N ATOM 0 H ARG A 21 10.159 -3.387 -4.834 1.00 61.24 H new ATOM 0 HA ARG A 21 11.047 -6.148 -4.964 1.00 21.34 H new ATOM 0 HB2 ARG A 21 13.233 -5.132 -5.383 1.00 10.44 H new ATOM 0 HB3 ARG A 21 12.019 -4.422 -6.427 1.00 10.44 H new ATOM 0 HG2 ARG A 21 11.864 -2.454 -4.929 1.00 11.10 H new ATOM 0 HG3 ARG A 21 13.050 -3.168 -3.854 1.00 11.10 H new ATOM 0 HD2 ARG A 21 13.738 -2.822 -6.771 1.00 4.11 H new ATOM 0 HD3 ARG A 21 13.777 -1.423 -5.717 1.00 4.11 H new ATOM 0 HE ARG A 21 15.223 -3.529 -4.440 1.00 72.22 H new ATOM 0 HH11 ARG A 21 15.403 -1.393 -7.245 1.00 72.20 H new ATOM 0 HH12 ARG A 21 17.169 -1.406 -7.287 1.00 72.20 H new ATOM 0 HH21 ARG A 21 17.490 -3.541 -4.500 1.00 5.25 H new ATOM 0 HH22 ARG A 21 18.346 -2.617 -5.740 1.00 5.25 H new ATOM 292 N LYS A 22 11.618 -4.219 -2.354 1.00 72.02 N ATOM 293 CA LYS A 22 12.023 -4.228 -0.954 1.00 12.42 C ATOM 294 C LYS A 22 11.265 -5.297 -0.175 1.00 74.11 C ATOM 295 O LYS A 22 11.692 -5.717 0.902 1.00 13.50 O ATOM 296 CB LYS A 22 11.780 -2.855 -0.323 1.00 41.44 C ATOM 297 CG LYS A 22 12.789 -2.493 0.753 1.00 1.22 C ATOM 298 CD LYS A 22 13.851 -1.543 0.225 1.00 3.23 C ATOM 299 CE LYS A 22 14.614 -0.873 1.359 1.00 54.33 C ATOM 300 NZ LYS A 22 15.928 -0.342 0.905 1.00 4.11 N ATOM 0 H LYS A 22 11.268 -3.320 -2.685 1.00 72.02 H new ATOM 0 HA LYS A 22 13.088 -4.458 -0.911 1.00 12.42 H new ATOM 0 HB2 LYS A 22 11.806 -2.096 -1.104 1.00 41.44 H new ATOM 0 HB3 LYS A 22 10.779 -2.834 0.108 1.00 41.44 H new ATOM 0 HG2 LYS A 22 12.274 -2.032 1.596 1.00 1.22 H new ATOM 0 HG3 LYS A 22 13.264 -3.400 1.127 1.00 1.22 H new ATOM 0 HD2 LYS A 22 14.548 -2.091 -0.410 1.00 3.23 H new ATOM 0 HD3 LYS A 22 13.382 -0.782 -0.399 1.00 3.23 H new ATOM 0 HE2 LYS A 22 14.015 -0.059 1.769 1.00 54.33 H new ATOM 0 HE3 LYS A 22 14.771 -1.590 2.165 1.00 54.33 H new ATOM 0 HZ1 LYS A 22 16.417 0.106 1.706 1.00 4.11 H new ATOM 0 HZ2 LYS A 22 16.509 -1.122 0.537 1.00 4.11 H new ATOM 0 HZ3 LYS A 22 15.777 0.361 0.154 1.00 4.11 H new ATOM 314 N LEU A 23 10.138 -5.736 -0.725 1.00 64.42 N ATOM 315 CA LEU A 23 9.320 -6.759 -0.083 1.00 44.01 C ATOM 316 C LEU A 23 9.831 -8.156 -0.421 1.00 71.33 C ATOM 317 O LEU A 23 9.838 -9.047 0.427 1.00 71.50 O ATOM 318 CB LEU A 23 7.860 -6.619 -0.515 1.00 0.51 C ATOM 319 CG LEU A 23 7.083 -5.461 0.112 1.00 54.13 C ATOM 320 CD1 LEU A 23 5.676 -5.388 -0.463 1.00 24.11 C ATOM 321 CD2 LEU A 23 7.036 -5.608 1.626 1.00 54.40 C ATOM 0 H LEU A 23 9.770 -5.399 -1.615 1.00 64.42 H new ATOM 0 HA LEU A 23 9.388 -6.619 0.996 1.00 44.01 H new ATOM 0 HB2 LEU A 23 7.832 -6.505 -1.599 1.00 0.51 H new ATOM 0 HB3 LEU A 23 7.341 -7.548 -0.279 1.00 0.51 H new ATOM 0 HG LEU A 23 7.599 -4.531 -0.127 1.00 54.13 H new ATOM 0 HD11 LEU A 23 5.138 -4.558 -0.005 1.00 24.11 H new ATOM 0 HD12 LEU A 23 5.731 -5.234 -1.541 1.00 24.11 H new ATOM 0 HD13 LEU A 23 5.150 -6.320 -0.256 1.00 24.11 H new ATOM 0 HD21 LEU A 23 6.479 -4.775 2.055 1.00 54.40 H new ATOM 0 HD22 LEU A 23 6.544 -6.545 1.885 1.00 54.40 H new ATOM 0 HD23 LEU A 23 8.051 -5.609 2.023 1.00 54.40 H new ATOM 333 N ASN A 24 10.258 -8.339 -1.667 1.00 2.22 N ATOM 334 CA ASN A 24 10.772 -9.627 -2.116 1.00 64.03 C ATOM 335 C ASN A 24 12.043 -10.000 -1.360 1.00 62.31 C ATOM 336 O ASN A 24 12.439 -11.165 -1.329 1.00 73.22 O ATOM 337 CB ASN A 24 11.052 -9.591 -3.620 1.00 44.00 C ATOM 338 CG ASN A 24 9.829 -9.941 -4.445 1.00 74.01 C ATOM 339 OD1 ASN A 24 9.374 -11.085 -4.446 1.00 70.04 O ATOM 340 ND2 ASN A 24 9.289 -8.954 -5.151 1.00 42.22 N ATOM 0 H ASN A 24 10.258 -7.612 -2.382 1.00 2.22 H new ATOM 0 HA ASN A 24 10.014 -10.383 -1.912 1.00 64.03 H new ATOM 0 HB2 ASN A 24 11.402 -8.597 -3.898 1.00 44.00 H new ATOM 0 HB3 ASN A 24 11.856 -10.289 -3.854 1.00 44.00 H new ATOM 0 HD21 ASN A 24 8.464 -9.129 -5.724 1.00 42.22 H new ATOM 0 HD22 ASN A 24 9.700 -8.021 -5.120 1.00 42.22 H new ATOM 347 N GLU A 25 12.678 -9.004 -0.751 1.00 53.32 N ATOM 348 CA GLU A 25 13.904 -9.227 0.005 1.00 61.22 C ATOM 349 C GLU A 25 13.591 -9.628 1.443 1.00 74.41 C ATOM 350 O GLU A 25 14.294 -10.445 2.039 1.00 73.35 O ATOM 351 CB GLU A 25 14.774 -7.969 -0.007 1.00 72.03 C ATOM 352 CG GLU A 25 14.046 -6.722 0.467 1.00 44.23 C ATOM 353 CD GLU A 25 14.996 -5.606 0.857 1.00 25.24 C ATOM 354 OE1 GLU A 25 16.002 -5.406 0.144 1.00 54.23 O ATOM 355 OE2 GLU A 25 14.735 -4.933 1.876 1.00 21.34 O ATOM 0 H GLU A 25 12.363 -8.034 -0.767 1.00 53.32 H new ATOM 0 HA GLU A 25 14.450 -10.042 -0.471 1.00 61.22 H new ATOM 0 HB2 GLU A 25 15.645 -8.134 0.627 1.00 72.03 H new ATOM 0 HB3 GLU A 25 15.143 -7.802 -1.019 1.00 72.03 H new ATOM 0 HG2 GLU A 25 13.383 -6.370 -0.323 1.00 44.23 H new ATOM 0 HG3 GLU A 25 13.418 -6.975 1.321 1.00 44.23 H new ATOM 362 N SER A 26 12.531 -9.048 1.996 1.00 52.54 N ATOM 363 CA SER A 26 12.126 -9.341 3.366 1.00 13.02 C ATOM 364 C SER A 26 11.494 -10.726 3.461 1.00 15.33 C ATOM 365 O SER A 26 10.271 -10.864 3.452 1.00 45.35 O ATOM 366 CB SER A 26 11.140 -8.283 3.866 1.00 74.23 C ATOM 367 OG SER A 26 11.496 -7.826 5.160 1.00 74.13 O ATOM 0 H SER A 26 11.937 -8.372 1.516 1.00 52.54 H new ATOM 0 HA SER A 26 13.017 -9.323 3.994 1.00 13.02 H new ATOM 0 HB2 SER A 26 11.121 -7.442 3.172 1.00 74.23 H new ATOM 0 HB3 SER A 26 10.134 -8.701 3.888 1.00 74.23 H new ATOM 0 HG SER A 26 10.852 -7.150 5.457 1.00 74.13 H new ATOM 373 N GLU A 27 12.338 -11.750 3.553 1.00 3.11 N ATOM 374 CA GLU A 27 11.862 -13.125 3.649 1.00 42.54 C ATOM 375 C GLU A 27 10.714 -13.235 4.649 1.00 45.04 C ATOM 376 O GLU A 27 9.719 -13.912 4.394 1.00 22.03 O ATOM 377 CB GLU A 27 13.005 -14.055 4.064 1.00 55.01 C ATOM 378 CG GLU A 27 12.958 -15.414 3.387 1.00 51.32 C ATOM 379 CD GLU A 27 13.831 -15.480 2.149 1.00 43.34 C ATOM 380 OE1 GLU A 27 13.492 -14.814 1.148 1.00 54.32 O ATOM 381 OE2 GLU A 27 14.853 -16.196 2.180 1.00 4.41 O ATOM 0 H GLU A 27 13.353 -11.653 3.563 1.00 3.11 H new ATOM 0 HA GLU A 27 11.496 -13.425 2.667 1.00 42.54 H new ATOM 0 HB2 GLU A 27 13.956 -13.575 3.832 1.00 55.01 H new ATOM 0 HB3 GLU A 27 12.974 -14.195 5.145 1.00 55.01 H new ATOM 0 HG2 GLU A 27 13.278 -16.179 4.094 1.00 51.32 H new ATOM 0 HG3 GLU A 27 11.928 -15.644 3.113 1.00 51.32 H new ATOM 388 N ALA A 28 10.861 -12.563 5.786 1.00 70.03 N ATOM 389 CA ALA A 28 9.837 -12.584 6.823 1.00 73.34 C ATOM 390 C ALA A 28 8.457 -12.302 6.237 1.00 3.14 C ATOM 391 O ALA A 28 7.481 -12.975 6.572 1.00 52.52 O ATOM 392 CB ALA A 28 10.167 -11.573 7.911 1.00 63.34 C ATOM 0 H ALA A 28 11.679 -11.997 6.012 1.00 70.03 H new ATOM 0 HA ALA A 28 9.820 -13.581 7.262 1.00 73.34 H new ATOM 0 HB1 ALA A 28 9.394 -11.599 8.679 1.00 63.34 H new ATOM 0 HB2 ALA A 28 11.130 -11.820 8.357 1.00 63.34 H new ATOM 0 HB3 ALA A 28 10.214 -10.574 7.477 1.00 63.34 H new ATOM 398 N TYR A 29 8.384 -11.305 5.364 1.00 53.35 N ATOM 399 CA TYR A 29 7.122 -10.932 4.733 1.00 24.13 C ATOM 400 C TYR A 29 6.599 -12.060 3.850 1.00 63.10 C ATOM 401 O TYR A 29 5.449 -12.480 3.976 1.00 22.52 O ATOM 402 CB TYR A 29 7.299 -9.660 3.904 1.00 41.22 C ATOM 403 CG TYR A 29 6.107 -9.335 3.032 1.00 65.55 C ATOM 404 CD1 TYR A 29 4.836 -9.205 3.577 1.00 31.51 C ATOM 405 CD2 TYR A 29 6.252 -9.158 1.661 1.00 45.52 C ATOM 406 CE1 TYR A 29 3.744 -8.910 2.784 1.00 23.31 C ATOM 407 CE2 TYR A 29 5.167 -8.861 0.860 1.00 14.44 C ATOM 408 CZ TYR A 29 3.915 -8.738 1.426 1.00 21.01 C ATOM 409 OH TYR A 29 2.830 -8.442 0.633 1.00 24.40 O ATOM 0 H TYR A 29 9.183 -10.740 5.076 1.00 53.35 H new ATOM 0 HA TYR A 29 6.393 -10.745 5.521 1.00 24.13 H new ATOM 0 HB2 TYR A 29 7.487 -8.822 4.575 1.00 41.22 H new ATOM 0 HB3 TYR A 29 8.182 -9.767 3.273 1.00 41.22 H new ATOM 0 HD1 TYR A 29 4.699 -9.337 4.640 1.00 31.51 H new ATOM 0 HD2 TYR A 29 7.231 -9.254 1.214 1.00 45.52 H new ATOM 0 HE1 TYR A 29 2.763 -8.815 3.224 1.00 23.31 H new ATOM 0 HE2 TYR A 29 5.298 -8.726 -0.203 1.00 14.44 H new ATOM 0 HH TYR A 29 2.024 -8.390 1.188 1.00 24.40 H new ATOM 419 N ARG A 30 7.454 -12.547 2.957 1.00 65.52 N ATOM 420 CA ARG A 30 7.080 -13.627 2.051 1.00 54.22 C ATOM 421 C ARG A 30 6.441 -14.782 2.817 1.00 13.41 C ATOM 422 O ARG A 30 5.458 -15.372 2.366 1.00 41.12 O ATOM 423 CB ARG A 30 8.306 -14.127 1.285 1.00 50.53 C ATOM 424 CG ARG A 30 8.090 -14.222 -0.216 1.00 55.42 C ATOM 425 CD ARG A 30 7.589 -15.599 -0.622 1.00 72.20 C ATOM 426 NE ARG A 30 8.489 -16.251 -1.569 1.00 51.34 N ATOM 427 CZ ARG A 30 8.209 -17.398 -2.177 1.00 70.31 C ATOM 428 NH1 ARG A 30 7.062 -18.018 -1.937 1.00 52.12 N ATOM 429 NH2 ARG A 30 9.079 -17.929 -3.027 1.00 63.13 N ATOM 0 H ARG A 30 8.410 -12.211 2.841 1.00 65.52 H new ATOM 0 HA ARG A 30 6.351 -13.236 1.341 1.00 54.22 H new ATOM 0 HB2 ARG A 30 9.144 -13.458 1.481 1.00 50.53 H new ATOM 0 HB3 ARG A 30 8.586 -15.109 1.666 1.00 50.53 H new ATOM 0 HG2 ARG A 30 7.371 -13.465 -0.530 1.00 55.42 H new ATOM 0 HG3 ARG A 30 9.025 -14.007 -0.733 1.00 55.42 H new ATOM 0 HD2 ARG A 30 7.483 -16.223 0.266 1.00 72.20 H new ATOM 0 HD3 ARG A 30 6.598 -15.508 -1.067 1.00 72.20 H new ATOM 0 HE ARG A 30 9.381 -15.801 -1.775 1.00 51.34 H new ATOM 0 HH11 ARG A 30 6.391 -17.614 -1.283 1.00 52.12 H new ATOM 0 HH12 ARG A 30 6.851 -18.899 -2.406 1.00 52.12 H new ATOM 0 HH21 ARG A 30 9.963 -17.456 -3.214 1.00 63.13 H new ATOM 0 HH22 ARG A 30 8.863 -18.810 -3.494 1.00 63.13 H new ATOM 443 N LYS A 31 7.004 -15.100 3.977 1.00 10.33 N ATOM 444 CA LYS A 31 6.490 -16.182 4.807 1.00 71.11 C ATOM 445 C LYS A 31 5.212 -15.758 5.525 1.00 4.25 C ATOM 446 O LYS A 31 4.229 -16.497 5.553 1.00 23.52 O ATOM 447 CB LYS A 31 7.543 -16.613 5.829 1.00 24.44 C ATOM 448 CG LYS A 31 8.867 -17.020 5.204 1.00 10.14 C ATOM 449 CD LYS A 31 9.714 -17.830 6.171 1.00 45.31 C ATOM 450 CE LYS A 31 9.072 -19.172 6.486 1.00 2.23 C ATOM 451 NZ LYS A 31 10.090 -20.223 6.767 1.00 43.35 N ATOM 0 H LYS A 31 7.818 -14.623 4.364 1.00 10.33 H new ATOM 0 HA LYS A 31 6.257 -17.025 4.157 1.00 71.11 H new ATOM 0 HB2 LYS A 31 7.717 -15.794 6.527 1.00 24.44 H new ATOM 0 HB3 LYS A 31 7.153 -17.449 6.410 1.00 24.44 H new ATOM 0 HG2 LYS A 31 8.681 -17.605 4.304 1.00 10.14 H new ATOM 0 HG3 LYS A 31 9.415 -16.129 4.897 1.00 10.14 H new ATOM 0 HD2 LYS A 31 10.703 -17.991 5.743 1.00 45.31 H new ATOM 0 HD3 LYS A 31 9.853 -17.267 7.094 1.00 45.31 H new ATOM 0 HE2 LYS A 31 8.413 -19.066 7.348 1.00 2.23 H new ATOM 0 HE3 LYS A 31 8.451 -19.483 5.646 1.00 2.23 H new ATOM 0 HZ1 LYS A 31 9.612 -21.122 6.977 1.00 43.35 H new ATOM 0 HZ2 LYS A 31 10.704 -20.343 5.936 1.00 43.35 H new ATOM 0 HZ3 LYS A 31 10.666 -19.938 7.585 1.00 43.35 H new ATOM 465 N ALA A 32 5.235 -14.562 6.106 1.00 62.25 N ATOM 466 CA ALA A 32 4.078 -14.038 6.821 1.00 61.22 C ATOM 467 C ALA A 32 2.843 -14.017 5.927 1.00 74.54 C ATOM 468 O ALA A 32 1.743 -14.350 6.365 1.00 74.23 O ATOM 469 CB ALA A 32 4.372 -12.643 7.350 1.00 4.22 C ATOM 0 H ALA A 32 6.042 -13.938 6.095 1.00 62.25 H new ATOM 0 HA ALA A 32 3.873 -14.699 7.663 1.00 61.22 H new ATOM 0 HB1 ALA A 32 3.499 -12.264 7.882 1.00 4.22 H new ATOM 0 HB2 ALA A 32 5.222 -12.684 8.031 1.00 4.22 H new ATOM 0 HB3 ALA A 32 4.606 -11.980 6.517 1.00 4.22 H new ATOM 475 N ALA A 33 3.033 -13.623 4.672 1.00 64.23 N ATOM 476 CA ALA A 33 1.934 -13.560 3.715 1.00 23.22 C ATOM 477 C ALA A 33 2.072 -14.641 2.648 1.00 5.24 C ATOM 478 O ALA A 33 1.805 -14.401 1.471 1.00 72.10 O ATOM 479 CB ALA A 33 1.875 -12.184 3.071 1.00 12.50 C ATOM 0 H ALA A 33 3.938 -13.342 4.294 1.00 64.23 H new ATOM 0 HA ALA A 33 1.004 -13.737 4.255 1.00 23.22 H new ATOM 0 HB1 ALA A 33 1.050 -12.151 2.359 1.00 12.50 H new ATOM 0 HB2 ALA A 33 1.720 -11.428 3.841 1.00 12.50 H new ATOM 0 HB3 ALA A 33 2.812 -11.985 2.551 1.00 12.50 H new ATOM 485 N SER A 34 2.494 -15.830 3.068 1.00 70.14 N ATOM 486 CA SER A 34 2.673 -16.946 2.146 1.00 12.41 C ATOM 487 C SER A 34 1.324 -17.463 1.652 1.00 3.02 C ATOM 488 O SER A 34 0.325 -17.409 2.370 1.00 61.54 O ATOM 489 CB SER A 34 3.448 -18.077 2.825 1.00 2.35 C ATOM 490 OG SER A 34 4.641 -18.373 2.120 1.00 74.44 O ATOM 0 H SER A 34 2.718 -16.045 4.040 1.00 70.14 H new ATOM 0 HA SER A 34 3.243 -16.589 1.288 1.00 12.41 H new ATOM 0 HB2 SER A 34 3.688 -17.793 3.850 1.00 2.35 H new ATOM 0 HB3 SER A 34 2.823 -18.969 2.879 1.00 2.35 H new ATOM 0 HG SER A 34 5.173 -17.556 2.020 1.00 74.44 H new ATOM 496 N THR A 35 1.305 -17.965 0.421 1.00 22.34 N ATOM 497 CA THR A 35 0.082 -18.491 -0.170 1.00 24.40 C ATOM 498 C THR A 35 -0.774 -17.372 -0.751 1.00 10.23 C ATOM 499 O THR A 35 -1.372 -17.523 -1.816 1.00 2.31 O ATOM 500 CB THR A 35 -0.749 -19.275 0.862 1.00 30.20 C ATOM 501 OG1 THR A 35 0.107 -19.812 1.876 1.00 5.24 O ATOM 502 CG2 THR A 35 -1.520 -20.403 0.193 1.00 60.44 C ATOM 0 H THR A 35 2.123 -18.018 -0.186 1.00 22.34 H new ATOM 0 HA THR A 35 0.384 -19.166 -0.971 1.00 24.40 H new ATOM 0 HB THR A 35 -1.463 -18.588 1.316 1.00 30.20 H new ATOM 0 HG1 THR A 35 0.175 -19.175 2.618 1.00 5.24 H new ATOM 0 HG21 THR A 35 -2.099 -20.942 0.942 1.00 60.44 H new ATOM 0 HG22 THR A 35 -2.193 -19.988 -0.557 1.00 60.44 H new ATOM 0 HG23 THR A 35 -0.820 -21.088 -0.286 1.00 60.44 H new ATOM 510 N TRP A 36 -0.828 -16.249 -0.045 1.00 3.44 N ATOM 511 CA TRP A 36 -1.611 -15.101 -0.490 1.00 71.55 C ATOM 512 C TRP A 36 -1.491 -14.914 -1.999 1.00 74.41 C ATOM 513 O TRP A 36 -0.389 -14.906 -2.545 1.00 41.44 O ATOM 514 CB TRP A 36 -1.154 -13.833 0.232 1.00 50.24 C ATOM 515 CG TRP A 36 -1.640 -12.572 -0.417 1.00 71.15 C ATOM 516 CD1 TRP A 36 -1.365 -12.144 -1.684 1.00 50.41 C ATOM 517 CD2 TRP A 36 -2.486 -11.577 0.170 1.00 21.13 C ATOM 518 NE1 TRP A 36 -1.987 -10.941 -1.919 1.00 71.33 N ATOM 519 CE2 TRP A 36 -2.682 -10.573 -0.798 1.00 61.11 C ATOM 520 CE3 TRP A 36 -3.097 -11.438 1.419 1.00 51.41 C ATOM 521 CZ2 TRP A 36 -3.463 -9.447 -0.553 1.00 15.11 C ATOM 522 CZ3 TRP A 36 -3.871 -10.319 1.660 1.00 72.11 C ATOM 523 CH2 TRP A 36 -4.050 -9.336 0.679 1.00 43.05 C ATOM 0 H TRP A 36 -0.339 -16.108 0.839 1.00 3.44 H new ATOM 0 HA TRP A 36 -2.657 -15.290 -0.247 1.00 71.55 H new ATOM 0 HB2 TRP A 36 -1.508 -13.863 1.262 1.00 50.24 H new ATOM 0 HB3 TRP A 36 -0.065 -13.817 0.270 1.00 50.24 H new ATOM 0 HD1 TRP A 36 -0.749 -12.673 -2.397 1.00 50.41 H new ATOM 0 HE1 TRP A 36 -1.939 -10.409 -2.788 1.00 71.33 H new ATOM 0 HE3 TRP A 36 -2.967 -12.191 2.182 1.00 51.41 H new ATOM 0 HZ2 TRP A 36 -3.601 -8.688 -1.308 1.00 15.11 H new ATOM 0 HZ3 TRP A 36 -4.346 -10.200 2.622 1.00 72.11 H new ATOM 0 HH2 TRP A 36 -4.663 -8.474 0.898 1.00 43.05 H new ATOM 534 N GLU A 37 -2.632 -14.765 -2.666 1.00 2.52 N ATOM 535 CA GLU A 37 -2.652 -14.578 -4.112 1.00 1.42 C ATOM 536 C GLU A 37 -3.555 -13.410 -4.497 1.00 62.41 C ATOM 537 O GLU A 37 -4.672 -13.283 -3.997 1.00 30.33 O ATOM 538 CB GLU A 37 -3.127 -15.855 -4.807 1.00 20.43 C ATOM 539 CG GLU A 37 -2.037 -16.902 -4.968 1.00 33.25 C ATOM 540 CD GLU A 37 -2.586 -18.316 -5.003 1.00 53.32 C ATOM 541 OE1 GLU A 37 -3.082 -18.733 -6.071 1.00 24.35 O ATOM 542 OE2 GLU A 37 -2.520 -19.004 -3.963 1.00 13.24 O ATOM 0 H GLU A 37 -3.553 -14.770 -2.228 1.00 2.52 H new ATOM 0 HA GLU A 37 -1.637 -14.352 -4.438 1.00 1.42 H new ATOM 0 HB2 GLU A 37 -3.950 -16.285 -4.236 1.00 20.43 H new ATOM 0 HB3 GLU A 37 -3.521 -15.598 -5.790 1.00 20.43 H new ATOM 0 HG2 GLU A 37 -1.485 -16.708 -5.888 1.00 33.25 H new ATOM 0 HG3 GLU A 37 -1.328 -16.812 -4.145 1.00 33.25 H new ATOM 549 N GLY A 38 -3.062 -12.558 -5.391 1.00 1.04 N ATOM 550 CA GLY A 38 -3.836 -11.412 -5.828 1.00 54.51 C ATOM 551 C GLY A 38 -3.028 -10.129 -5.823 1.00 62.35 C ATOM 552 O GLY A 38 -2.046 -10.010 -5.091 1.00 11.54 O ATOM 0 H GLY A 38 -2.140 -12.642 -5.820 1.00 1.04 H new ATOM 0 HA2 GLY A 38 -4.214 -11.595 -6.834 1.00 54.51 H new ATOM 0 HA3 GLY A 38 -4.703 -11.294 -5.178 1.00 54.51 H new ATOM 556 N SER A 39 -3.438 -9.170 -6.646 1.00 13.20 N ATOM 557 CA SER A 39 -2.741 -7.892 -6.738 1.00 53.24 C ATOM 558 C SER A 39 -3.353 -6.869 -5.786 1.00 32.30 C ATOM 559 O SER A 39 -4.553 -6.901 -5.510 1.00 52.44 O ATOM 560 CB SER A 39 -2.791 -7.362 -8.174 1.00 24.34 C ATOM 561 OG SER A 39 -4.125 -7.286 -8.643 1.00 63.43 O ATOM 0 H SER A 39 -4.249 -9.253 -7.259 1.00 13.20 H new ATOM 0 HA SER A 39 -1.701 -8.052 -6.452 1.00 53.24 H new ATOM 0 HB2 SER A 39 -2.330 -6.375 -8.217 1.00 24.34 H new ATOM 0 HB3 SER A 39 -2.210 -8.014 -8.826 1.00 24.34 H new ATOM 0 HG SER A 39 -4.123 -7.098 -9.605 1.00 63.43 H new ATOM 567 N LEU A 40 -2.520 -5.963 -5.286 1.00 60.35 N ATOM 568 CA LEU A 40 -2.977 -4.929 -4.365 1.00 33.42 C ATOM 569 C LEU A 40 -2.792 -3.541 -4.968 1.00 53.20 C ATOM 570 O LEU A 40 -1.742 -3.232 -5.529 1.00 43.34 O ATOM 571 CB LEU A 40 -2.218 -5.027 -3.040 1.00 65.02 C ATOM 572 CG LEU A 40 -2.552 -3.963 -1.994 1.00 74.21 C ATOM 573 CD1 LEU A 40 -3.938 -4.203 -1.414 1.00 63.42 C ATOM 574 CD2 LEU A 40 -1.505 -3.952 -0.891 1.00 21.23 C ATOM 0 H LEU A 40 -1.524 -5.924 -5.503 1.00 60.35 H new ATOM 0 HA LEU A 40 -4.040 -5.086 -4.181 1.00 33.42 H new ATOM 0 HB2 LEU A 40 -2.411 -6.008 -2.606 1.00 65.02 H new ATOM 0 HB3 LEU A 40 -1.150 -4.977 -3.252 1.00 65.02 H new ATOM 0 HG LEU A 40 -2.547 -2.988 -2.481 1.00 74.21 H new ATOM 0 HD11 LEU A 40 -4.159 -3.437 -0.671 1.00 63.42 H new ATOM 0 HD12 LEU A 40 -4.679 -4.159 -2.212 1.00 63.42 H new ATOM 0 HD13 LEU A 40 -3.970 -5.185 -0.942 1.00 63.42 H new ATOM 0 HD21 LEU A 40 -1.759 -3.189 -0.156 1.00 21.23 H new ATOM 0 HD22 LEU A 40 -1.477 -4.928 -0.406 1.00 21.23 H new ATOM 0 HD23 LEU A 40 -0.527 -3.732 -1.320 1.00 21.23 H new ATOM 586 N ALA A 41 -3.820 -2.707 -4.848 1.00 33.03 N ATOM 587 CA ALA A 41 -3.771 -1.350 -5.377 1.00 63.34 C ATOM 588 C ALA A 41 -4.151 -0.330 -4.309 1.00 50.43 C ATOM 589 O ALA A 41 -5.250 -0.377 -3.754 1.00 64.33 O ATOM 590 CB ALA A 41 -4.687 -1.220 -6.584 1.00 61.22 C ATOM 0 H ALA A 41 -4.698 -2.948 -4.388 1.00 33.03 H new ATOM 0 HA ALA A 41 -2.747 -1.145 -5.689 1.00 63.34 H new ATOM 0 HB1 ALA A 41 -4.640 -0.201 -6.968 1.00 61.22 H new ATOM 0 HB2 ALA A 41 -4.367 -1.916 -7.360 1.00 61.22 H new ATOM 0 HB3 ALA A 41 -5.711 -1.450 -6.290 1.00 61.22 H new ATOM 596 N LEU A 42 -3.237 0.592 -4.027 1.00 13.15 N ATOM 597 CA LEU A 42 -3.478 1.624 -3.024 1.00 45.20 C ATOM 598 C LEU A 42 -3.879 2.940 -3.684 1.00 2.23 C ATOM 599 O LEU A 42 -3.028 3.701 -4.144 1.00 22.03 O ATOM 600 CB LEU A 42 -2.227 1.831 -2.166 1.00 71.25 C ATOM 601 CG LEU A 42 -1.556 0.561 -1.644 1.00 3.22 C ATOM 602 CD1 LEU A 42 -0.114 0.844 -1.249 1.00 32.32 C ATOM 603 CD2 LEU A 42 -2.331 -0.006 -0.464 1.00 14.23 C ATOM 0 H LEU A 42 -2.324 0.646 -4.478 1.00 13.15 H new ATOM 0 HA LEU A 42 -4.298 1.293 -2.386 1.00 45.20 H new ATOM 0 HB2 LEU A 42 -1.497 2.390 -2.752 1.00 71.25 H new ATOM 0 HB3 LEU A 42 -2.495 2.454 -1.313 1.00 71.25 H new ATOM 0 HG LEU A 42 -1.555 -0.181 -2.443 1.00 3.22 H new ATOM 0 HD11 LEU A 42 0.348 -0.071 -0.880 1.00 32.32 H new ATOM 0 HD12 LEU A 42 0.437 1.204 -2.118 1.00 32.32 H new ATOM 0 HD13 LEU A 42 -0.093 1.602 -0.466 1.00 32.32 H new ATOM 0 HD21 LEU A 42 -1.838 -0.910 -0.106 1.00 14.23 H new ATOM 0 HD22 LEU A 42 -2.364 0.732 0.338 1.00 14.23 H new ATOM 0 HD23 LEU A 42 -3.347 -0.246 -0.778 1.00 14.23 H new ATOM 615 N ALA A 43 -5.181 3.203 -3.723 1.00 41.31 N ATOM 616 CA ALA A 43 -5.695 4.429 -4.322 1.00 45.12 C ATOM 617 C ALA A 43 -5.796 5.545 -3.287 1.00 61.10 C ATOM 618 O ALA A 43 -5.958 5.286 -2.095 1.00 13.02 O ATOM 619 CB ALA A 43 -7.052 4.175 -4.962 1.00 24.44 C ATOM 0 H ALA A 43 -5.899 2.584 -3.347 1.00 41.31 H new ATOM 0 HA ALA A 43 -4.995 4.748 -5.095 1.00 45.12 H new ATOM 0 HB1 ALA A 43 -7.424 5.099 -5.405 1.00 24.44 H new ATOM 0 HB2 ALA A 43 -6.952 3.415 -5.737 1.00 24.44 H new ATOM 0 HB3 ALA A 43 -7.753 3.829 -4.203 1.00 24.44 H new ATOM 625 N VAL A 44 -5.700 6.786 -3.751 1.00 43.14 N ATOM 626 CA VAL A 44 -5.781 7.942 -2.866 1.00 5.25 C ATOM 627 C VAL A 44 -6.780 8.966 -3.390 1.00 55.23 C ATOM 628 O VAL A 44 -6.685 9.414 -4.533 1.00 2.12 O ATOM 629 CB VAL A 44 -4.408 8.619 -2.700 1.00 2.23 C ATOM 630 CG1 VAL A 44 -4.570 10.026 -2.144 1.00 72.34 C ATOM 631 CG2 VAL A 44 -3.507 7.783 -1.802 1.00 54.42 C ATOM 0 H VAL A 44 -5.566 7.017 -4.735 1.00 43.14 H new ATOM 0 HA VAL A 44 -6.116 7.575 -1.896 1.00 5.25 H new ATOM 0 HB VAL A 44 -3.938 8.693 -3.681 1.00 2.23 H new ATOM 0 HG11 VAL A 44 -3.589 10.489 -2.033 1.00 72.34 H new ATOM 0 HG12 VAL A 44 -5.176 10.620 -2.828 1.00 72.34 H new ATOM 0 HG13 VAL A 44 -5.061 9.979 -1.172 1.00 72.34 H new ATOM 0 HG21 VAL A 44 -2.541 8.276 -1.696 1.00 54.42 H new ATOM 0 HG22 VAL A 44 -3.970 7.676 -0.821 1.00 54.42 H new ATOM 0 HG23 VAL A 44 -3.364 6.798 -2.246 1.00 54.42 H new ATOM 641 N ARG A 45 -7.740 9.335 -2.547 1.00 25.24 N ATOM 642 CA ARG A 45 -8.759 10.307 -2.926 1.00 23.35 C ATOM 643 C ARG A 45 -8.126 11.526 -3.589 1.00 42.13 C ATOM 644 O ARG A 45 -7.025 11.952 -3.240 1.00 43.32 O ATOM 645 CB ARG A 45 -9.562 10.740 -1.698 1.00 4.01 C ATOM 646 CG ARG A 45 -11.029 10.349 -1.760 1.00 71.50 C ATOM 647 CD ARG A 45 -11.604 10.118 -0.372 1.00 21.43 C ATOM 648 NE ARG A 45 -12.908 9.463 -0.422 1.00 14.23 N ATOM 649 CZ ARG A 45 -13.643 9.205 0.655 1.00 52.31 C ATOM 650 NH1 ARG A 45 -13.204 9.546 1.859 1.00 42.03 N ATOM 651 NH2 ARG A 45 -14.820 8.607 0.528 1.00 34.14 N ATOM 0 H ARG A 45 -7.833 8.975 -1.597 1.00 25.24 H new ATOM 0 HA ARG A 45 -9.430 9.833 -3.642 1.00 23.35 H new ATOM 0 HB2 ARG A 45 -9.114 10.298 -0.808 1.00 4.01 H new ATOM 0 HB3 ARG A 45 -9.488 11.822 -1.589 1.00 4.01 H new ATOM 0 HG2 ARG A 45 -11.595 11.133 -2.263 1.00 71.50 H new ATOM 0 HG3 ARG A 45 -11.140 9.443 -2.356 1.00 71.50 H new ATOM 0 HD2 ARG A 45 -10.913 9.507 0.209 1.00 21.43 H new ATOM 0 HD3 ARG A 45 -11.698 11.073 0.145 1.00 21.43 H new ATOM 0 HE ARG A 45 -13.275 9.188 -1.333 1.00 14.23 H new ATOM 0 HH11 ARG A 45 -12.300 10.008 1.960 1.00 42.03 H new ATOM 0 HH12 ARG A 45 -13.770 9.347 2.684 1.00 42.03 H new ATOM 0 HH21 ARG A 45 -15.162 8.345 -0.397 1.00 34.14 H new ATOM 0 HH22 ARG A 45 -15.383 8.409 1.355 1.00 34.14 H new ATOM 665 N PRO A 46 -8.838 12.102 -4.569 1.00 21.21 N ATOM 666 CA PRO A 46 -8.366 13.281 -5.302 1.00 71.15 C ATOM 667 C PRO A 46 -8.357 14.537 -4.437 1.00 70.51 C ATOM 668 O PRO A 46 -9.337 14.839 -3.756 1.00 41.55 O ATOM 669 CB PRO A 46 -9.382 13.421 -6.439 1.00 3.33 C ATOM 670 CG PRO A 46 -10.619 12.771 -5.924 1.00 14.13 C ATOM 671 CD PRO A 46 -10.158 11.648 -5.037 1.00 33.41 C ATOM 0 HA PRO A 46 -7.337 13.164 -5.643 1.00 71.15 H new ATOM 0 HB2 PRO A 46 -9.558 14.468 -6.686 1.00 3.33 H new ATOM 0 HB3 PRO A 46 -9.028 12.935 -7.348 1.00 3.33 H new ATOM 0 HG2 PRO A 46 -11.231 13.482 -5.368 1.00 14.13 H new ATOM 0 HG3 PRO A 46 -11.232 12.395 -6.743 1.00 14.13 H new ATOM 0 HD2 PRO A 46 -10.844 11.485 -4.206 1.00 33.41 H new ATOM 0 HD3 PRO A 46 -10.089 10.707 -5.583 1.00 33.41 H new ATOM 679 N ASP A 47 -7.245 15.263 -4.470 1.00 35.22 N ATOM 680 CA ASP A 47 -7.110 16.487 -3.689 1.00 53.44 C ATOM 681 C ASP A 47 -5.965 17.346 -4.218 1.00 71.13 C ATOM 682 O ASP A 47 -4.885 16.852 -4.540 1.00 45.40 O ATOM 683 CB ASP A 47 -6.874 16.155 -2.215 1.00 14.22 C ATOM 684 CG ASP A 47 -7.779 16.947 -1.291 1.00 65.32 C ATOM 685 OD1 ASP A 47 -9.003 16.704 -1.307 1.00 34.03 O ATOM 686 OD2 ASP A 47 -7.261 17.810 -0.552 1.00 23.05 O ATOM 0 H ASP A 47 -6.425 15.026 -5.028 1.00 35.22 H new ATOM 0 HA ASP A 47 -8.038 17.051 -3.782 1.00 53.44 H new ATOM 0 HB2 ASP A 47 -7.039 15.090 -2.055 1.00 14.22 H new ATOM 0 HB3 ASP A 47 -5.833 16.358 -1.962 1.00 14.22 H new ATOM 691 N PRO A 48 -6.207 18.661 -4.313 1.00 44.42 N ATOM 692 CA PRO A 48 -5.208 19.616 -4.805 1.00 33.14 C ATOM 693 C PRO A 48 -4.052 19.799 -3.828 1.00 5.30 C ATOM 694 O PRO A 48 -2.911 20.018 -4.234 1.00 45.30 O ATOM 695 CB PRO A 48 -6.001 20.918 -4.945 1.00 30.22 C ATOM 696 CG PRO A 48 -7.127 20.783 -3.978 1.00 64.40 C ATOM 697 CD PRO A 48 -7.473 19.319 -3.948 1.00 42.21 C ATOM 0 HA PRO A 48 -4.746 19.281 -5.733 1.00 33.14 H new ATOM 0 HB2 PRO A 48 -5.382 21.785 -4.713 1.00 30.22 H new ATOM 0 HB3 PRO A 48 -6.367 21.051 -5.963 1.00 30.22 H new ATOM 0 HG2 PRO A 48 -6.836 21.136 -2.989 1.00 64.40 H new ATOM 0 HG3 PRO A 48 -7.984 21.380 -4.290 1.00 64.40 H new ATOM 0 HD2 PRO A 48 -7.818 19.008 -2.962 1.00 42.21 H new ATOM 0 HD3 PRO A 48 -8.268 19.080 -4.654 1.00 42.21 H new ATOM 705 N LYS A 49 -4.353 19.707 -2.537 1.00 51.50 N ATOM 706 CA LYS A 49 -3.340 19.861 -1.501 1.00 4.24 C ATOM 707 C LYS A 49 -2.083 19.069 -1.848 1.00 5.54 C ATOM 708 O LYS A 49 -0.972 19.461 -1.492 1.00 50.41 O ATOM 709 CB LYS A 49 -3.888 19.402 -0.148 1.00 72.24 C ATOM 710 CG LYS A 49 -3.649 20.396 0.975 1.00 72.25 C ATOM 711 CD LYS A 49 -4.678 20.243 2.082 1.00 13.24 C ATOM 712 CE LYS A 49 -4.860 21.539 2.856 1.00 14.41 C ATOM 713 NZ LYS A 49 -3.728 21.791 3.790 1.00 21.14 N ATOM 0 H LYS A 49 -5.292 19.526 -2.183 1.00 51.50 H new ATOM 0 HA LYS A 49 -3.078 20.917 -1.439 1.00 4.24 H new ATOM 0 HB2 LYS A 49 -4.959 19.223 -0.241 1.00 72.24 H new ATOM 0 HB3 LYS A 49 -3.428 18.450 0.117 1.00 72.24 H new ATOM 0 HG2 LYS A 49 -2.649 20.251 1.384 1.00 72.25 H new ATOM 0 HG3 LYS A 49 -3.688 21.411 0.579 1.00 72.25 H new ATOM 0 HD2 LYS A 49 -5.632 19.937 1.653 1.00 13.24 H new ATOM 0 HD3 LYS A 49 -4.366 19.452 2.764 1.00 13.24 H new ATOM 0 HE2 LYS A 49 -4.946 22.371 2.157 1.00 14.41 H new ATOM 0 HE3 LYS A 49 -5.793 21.498 3.419 1.00 14.41 H new ATOM 0 HZ1 LYS A 49 -3.890 22.684 4.299 1.00 21.14 H new ATOM 0 HZ2 LYS A 49 -3.662 21.010 4.474 1.00 21.14 H new ATOM 0 HZ3 LYS A 49 -2.841 21.856 3.251 1.00 21.14 H new ATOM 727 N ALA A 50 -2.267 17.953 -2.545 1.00 3.33 N ATOM 728 CA ALA A 50 -1.147 17.108 -2.943 1.00 55.10 C ATOM 729 C ALA A 50 -0.817 17.294 -4.420 1.00 22.45 C ATOM 730 O ALA A 50 0.319 17.086 -4.843 1.00 23.03 O ATOM 731 CB ALA A 50 -1.458 15.648 -2.649 1.00 34.01 C ATOM 0 H ALA A 50 -3.180 17.613 -2.846 1.00 3.33 H new ATOM 0 HA ALA A 50 -0.274 17.406 -2.363 1.00 55.10 H new ATOM 0 HB1 ALA A 50 -0.614 15.028 -2.951 1.00 34.01 H new ATOM 0 HB2 ALA A 50 -1.637 15.522 -1.581 1.00 34.01 H new ATOM 0 HB3 ALA A 50 -2.346 15.346 -3.204 1.00 34.01 H new ATOM 737 N GLY A 51 -1.819 17.686 -5.201 1.00 33.43 N ATOM 738 CA GLY A 51 -1.614 17.891 -6.623 1.00 15.14 C ATOM 739 C GLY A 51 -2.209 16.777 -7.462 1.00 13.32 C ATOM 740 O GLY A 51 -1.601 16.331 -8.434 1.00 65.42 O ATOM 0 H GLY A 51 -2.769 17.865 -4.875 1.00 33.43 H new ATOM 0 HA2 GLY A 51 -2.060 18.841 -6.918 1.00 15.14 H new ATOM 0 HA3 GLY A 51 -0.546 17.963 -6.826 1.00 15.14 H new ATOM 744 N PHE A 52 -3.401 16.327 -7.084 1.00 64.11 N ATOM 745 CA PHE A 52 -4.078 15.256 -7.807 1.00 45.20 C ATOM 746 C PHE A 52 -5.583 15.496 -7.851 1.00 55.34 C ATOM 747 O PHE A 52 -6.337 15.032 -6.996 1.00 42.30 O ATOM 748 CB PHE A 52 -3.785 13.905 -7.152 1.00 44.23 C ATOM 749 CG PHE A 52 -2.329 13.533 -7.168 1.00 4.34 C ATOM 750 CD1 PHE A 52 -1.758 12.962 -8.294 1.00 11.14 C ATOM 751 CD2 PHE A 52 -1.531 13.757 -6.057 1.00 34.02 C ATOM 752 CE1 PHE A 52 -0.420 12.620 -8.310 1.00 61.35 C ATOM 753 CE2 PHE A 52 -0.191 13.416 -6.068 1.00 14.11 C ATOM 754 CZ PHE A 52 0.365 12.848 -7.197 1.00 22.42 C ATOM 0 H PHE A 52 -3.918 16.687 -6.282 1.00 64.11 H new ATOM 0 HA PHE A 52 -3.699 15.246 -8.829 1.00 45.20 H new ATOM 0 HB2 PHE A 52 -4.135 13.927 -6.120 1.00 44.23 H new ATOM 0 HB3 PHE A 52 -4.355 13.130 -7.665 1.00 44.23 H new ATOM 0 HD1 PHE A 52 -2.366 12.782 -9.169 1.00 11.14 H new ATOM 0 HD2 PHE A 52 -1.961 14.203 -5.172 1.00 34.02 H new ATOM 0 HE1 PHE A 52 0.013 12.174 -9.193 1.00 61.35 H new ATOM 0 HE2 PHE A 52 0.420 13.594 -5.195 1.00 14.11 H new ATOM 0 HZ PHE A 52 1.412 12.583 -7.210 1.00 22.42 H new ATOM 764 N PRO A 53 -6.033 16.241 -8.872 1.00 54.35 N ATOM 765 CA PRO A 53 -7.452 16.562 -9.054 1.00 30.51 C ATOM 766 C PRO A 53 -8.275 15.341 -9.453 1.00 13.13 C ATOM 767 O PRO A 53 -9.503 15.403 -9.520 1.00 31.30 O ATOM 768 CB PRO A 53 -7.441 17.592 -10.185 1.00 12.51 C ATOM 769 CG PRO A 53 -6.191 17.310 -10.944 1.00 32.31 C ATOM 770 CD PRO A 53 -5.191 16.828 -9.929 1.00 63.50 C ATOM 0 HA PRO A 53 -7.909 16.925 -8.134 1.00 30.51 H new ATOM 0 HB2 PRO A 53 -8.321 17.491 -10.820 1.00 12.51 H new ATOM 0 HB3 PRO A 53 -7.445 18.609 -9.794 1.00 12.51 H new ATOM 0 HG2 PRO A 53 -6.362 16.556 -11.712 1.00 32.31 H new ATOM 0 HG3 PRO A 53 -5.832 18.205 -11.451 1.00 32.31 H new ATOM 0 HD2 PRO A 53 -4.509 16.092 -10.355 1.00 63.50 H new ATOM 0 HD3 PRO A 53 -4.579 17.646 -9.548 1.00 63.50 H new ATOM 778 N LYS A 54 -7.592 14.232 -9.717 1.00 10.43 N ATOM 779 CA LYS A 54 -8.258 12.997 -10.108 1.00 34.35 C ATOM 780 C LYS A 54 -7.938 11.872 -9.128 1.00 10.03 C ATOM 781 O LYS A 54 -8.783 11.024 -8.843 1.00 73.14 O ATOM 782 CB LYS A 54 -7.838 12.590 -11.521 1.00 51.33 C ATOM 783 CG LYS A 54 -8.493 11.309 -12.008 1.00 12.13 C ATOM 784 CD LYS A 54 -9.984 11.496 -12.231 1.00 14.40 C ATOM 785 CE LYS A 54 -10.519 10.524 -13.272 1.00 4.33 C ATOM 786 NZ LYS A 54 -11.767 11.025 -13.910 1.00 40.01 N ATOM 0 H LYS A 54 -6.575 14.164 -9.667 1.00 10.43 H new ATOM 0 HA LYS A 54 -9.333 13.175 -10.093 1.00 34.35 H new ATOM 0 HB2 LYS A 54 -8.084 13.398 -12.210 1.00 51.33 H new ATOM 0 HB3 LYS A 54 -6.755 12.467 -11.547 1.00 51.33 H new ATOM 0 HG2 LYS A 54 -8.022 10.989 -12.938 1.00 12.13 H new ATOM 0 HG3 LYS A 54 -8.330 10.516 -11.279 1.00 12.13 H new ATOM 0 HD2 LYS A 54 -10.515 11.351 -11.290 1.00 14.40 H new ATOM 0 HD3 LYS A 54 -10.179 12.519 -12.553 1.00 14.40 H new ATOM 0 HE2 LYS A 54 -9.761 10.359 -14.038 1.00 4.33 H new ATOM 0 HE3 LYS A 54 -10.713 9.560 -12.802 1.00 4.33 H new ATOM 0 HZ1 LYS A 54 -12.099 10.334 -14.613 1.00 40.01 H new ATOM 0 HZ2 LYS A 54 -12.499 11.159 -13.183 1.00 40.01 H new ATOM 0 HZ3 LYS A 54 -11.576 11.933 -14.380 1.00 40.01 H new ATOM 800 N GLY A 55 -6.712 11.873 -8.614 1.00 23.21 N ATOM 801 CA GLY A 55 -6.303 10.849 -7.671 1.00 22.45 C ATOM 802 C GLY A 55 -5.264 9.908 -8.251 1.00 12.45 C ATOM 803 O GLY A 55 -5.190 9.726 -9.466 1.00 15.23 O ATOM 0 H GLY A 55 -5.995 12.564 -8.834 1.00 23.21 H new ATOM 0 HA2 GLY A 55 -5.900 11.323 -6.776 1.00 22.45 H new ATOM 0 HA3 GLY A 55 -7.176 10.275 -7.361 1.00 22.45 H new ATOM 807 N VAL A 56 -4.458 9.309 -7.379 1.00 40.44 N ATOM 808 CA VAL A 56 -3.418 8.384 -7.811 1.00 33.11 C ATOM 809 C VAL A 56 -3.720 6.963 -7.347 1.00 51.11 C ATOM 810 O VAL A 56 -4.373 6.759 -6.326 1.00 34.43 O ATOM 811 CB VAL A 56 -2.036 8.804 -7.277 1.00 61.21 C ATOM 812 CG1 VAL A 56 -1.855 8.340 -5.840 1.00 33.42 C ATOM 813 CG2 VAL A 56 -0.932 8.252 -8.166 1.00 42.14 C ATOM 0 H VAL A 56 -4.506 9.448 -6.370 1.00 40.44 H new ATOM 0 HA VAL A 56 -3.402 8.412 -8.901 1.00 33.11 H new ATOM 0 HB VAL A 56 -1.975 9.892 -7.293 1.00 61.21 H new ATOM 0 HG11 VAL A 56 -0.873 8.646 -5.480 1.00 33.42 H new ATOM 0 HG12 VAL A 56 -2.627 8.787 -5.213 1.00 33.42 H new ATOM 0 HG13 VAL A 56 -1.936 7.254 -5.795 1.00 33.42 H new ATOM 0 HG21 VAL A 56 0.038 8.558 -7.774 1.00 42.14 H new ATOM 0 HG22 VAL A 56 -0.989 7.164 -8.184 1.00 42.14 H new ATOM 0 HG23 VAL A 56 -1.053 8.638 -9.178 1.00 42.14 H new ATOM 823 N ALA A 57 -3.238 5.984 -8.106 1.00 73.34 N ATOM 824 CA ALA A 57 -3.454 4.582 -7.772 1.00 3.13 C ATOM 825 C ALA A 57 -2.190 3.761 -8.004 1.00 74.45 C ATOM 826 O ALA A 57 -1.758 3.577 -9.142 1.00 3.32 O ATOM 827 CB ALA A 57 -4.609 4.017 -8.585 1.00 74.00 C ATOM 0 H ALA A 57 -2.695 6.136 -8.956 1.00 73.34 H new ATOM 0 HA ALA A 57 -3.706 4.522 -6.713 1.00 3.13 H new ATOM 0 HB1 ALA A 57 -4.759 2.969 -8.325 1.00 74.00 H new ATOM 0 HB2 ALA A 57 -5.517 4.579 -8.366 1.00 74.00 H new ATOM 0 HB3 ALA A 57 -4.380 4.098 -9.648 1.00 74.00 H new ATOM 833 N VAL A 58 -1.601 3.270 -6.918 1.00 73.13 N ATOM 834 CA VAL A 58 -0.386 2.468 -7.005 1.00 21.12 C ATOM 835 C VAL A 58 -0.707 0.978 -6.963 1.00 63.03 C ATOM 836 O VAL A 58 -1.338 0.494 -6.024 1.00 74.12 O ATOM 837 CB VAL A 58 0.590 2.804 -5.861 1.00 60.40 C ATOM 838 CG1 VAL A 58 1.791 1.871 -5.893 1.00 62.11 C ATOM 839 CG2 VAL A 58 1.031 4.257 -5.947 1.00 40.53 C ATOM 0 H VAL A 58 -1.945 3.413 -5.969 1.00 73.13 H new ATOM 0 HA VAL A 58 0.085 2.708 -7.958 1.00 21.12 H new ATOM 0 HB VAL A 58 0.074 2.661 -4.912 1.00 60.40 H new ATOM 0 HG11 VAL A 58 2.469 2.123 -5.078 1.00 62.11 H new ATOM 0 HG12 VAL A 58 1.454 0.841 -5.779 1.00 62.11 H new ATOM 0 HG13 VAL A 58 2.311 1.980 -6.845 1.00 62.11 H new ATOM 0 HG21 VAL A 58 1.720 4.477 -5.131 1.00 40.53 H new ATOM 0 HG22 VAL A 58 1.530 4.430 -6.900 1.00 40.53 H new ATOM 0 HG23 VAL A 58 0.159 4.907 -5.871 1.00 40.53 H new ATOM 849 N VAL A 59 -0.268 0.255 -7.989 1.00 12.43 N ATOM 850 CA VAL A 59 -0.506 -1.180 -8.070 1.00 75.02 C ATOM 851 C VAL A 59 0.605 -1.962 -7.381 1.00 5.03 C ATOM 852 O VAL A 59 1.731 -1.479 -7.250 1.00 42.22 O ATOM 853 CB VAL A 59 -0.618 -1.649 -9.533 1.00 42.14 C ATOM 854 CG1 VAL A 59 -0.986 -3.124 -9.595 1.00 74.01 C ATOM 855 CG2 VAL A 59 -1.634 -0.805 -10.287 1.00 65.12 C ATOM 0 H VAL A 59 0.255 0.641 -8.776 1.00 12.43 H new ATOM 0 HA VAL A 59 -1.450 -1.373 -7.561 1.00 75.02 H new ATOM 0 HB VAL A 59 0.353 -1.521 -10.012 1.00 42.14 H new ATOM 0 HG11 VAL A 59 -1.061 -3.437 -10.636 1.00 74.01 H new ATOM 0 HG12 VAL A 59 -0.217 -3.712 -9.093 1.00 74.01 H new ATOM 0 HG13 VAL A 59 -1.944 -3.281 -9.100 1.00 74.01 H new ATOM 0 HG21 VAL A 59 -1.700 -1.150 -11.319 1.00 65.12 H new ATOM 0 HG22 VAL A 59 -2.610 -0.898 -9.810 1.00 65.12 H new ATOM 0 HG23 VAL A 59 -1.321 0.239 -10.273 1.00 65.12 H new ATOM 865 N LEU A 60 0.285 -3.174 -6.940 1.00 53.24 N ATOM 866 CA LEU A 60 1.257 -4.025 -6.264 1.00 43.40 C ATOM 867 C LEU A 60 0.928 -5.500 -6.472 1.00 3.25 C ATOM 868 O LEU A 60 0.319 -6.137 -5.613 1.00 54.33 O ATOM 869 CB LEU A 60 1.293 -3.704 -4.769 1.00 73.01 C ATOM 870 CG LEU A 60 1.759 -2.297 -4.395 1.00 25.34 C ATOM 871 CD1 LEU A 60 1.379 -1.972 -2.958 1.00 42.14 C ATOM 872 CD2 LEU A 60 3.262 -2.163 -4.594 1.00 64.43 C ATOM 0 H LEU A 60 -0.641 -3.589 -7.039 1.00 53.24 H new ATOM 0 HA LEU A 60 2.238 -3.827 -6.695 1.00 43.40 H new ATOM 0 HB2 LEU A 60 0.293 -3.854 -4.362 1.00 73.01 H new ATOM 0 HB3 LEU A 60 1.948 -4.424 -4.279 1.00 73.01 H new ATOM 0 HG LEU A 60 1.260 -1.584 -5.051 1.00 25.34 H new ATOM 0 HD11 LEU A 60 1.719 -0.966 -2.710 1.00 42.14 H new ATOM 0 HD12 LEU A 60 0.296 -2.026 -2.847 1.00 42.14 H new ATOM 0 HD13 LEU A 60 1.849 -2.690 -2.286 1.00 42.14 H new ATOM 0 HD21 LEU A 60 3.576 -1.155 -4.323 1.00 64.43 H new ATOM 0 HD22 LEU A 60 3.778 -2.886 -3.963 1.00 64.43 H new ATOM 0 HD23 LEU A 60 3.509 -2.351 -5.639 1.00 64.43 H new ATOM 884 N ASP A 61 1.338 -6.036 -7.616 1.00 13.34 N ATOM 885 CA ASP A 61 1.090 -7.437 -7.936 1.00 32.22 C ATOM 886 C ASP A 61 1.866 -8.355 -6.996 1.00 32.13 C ATOM 887 O ASP A 61 3.084 -8.496 -7.114 1.00 12.45 O ATOM 888 CB ASP A 61 1.477 -7.728 -9.387 1.00 12.41 C ATOM 889 CG ASP A 61 1.521 -9.213 -9.687 1.00 51.12 C ATOM 890 OD1 ASP A 61 1.035 -10.002 -8.851 1.00 21.42 O ATOM 891 OD2 ASP A 61 2.042 -9.586 -10.760 1.00 15.23 O ATOM 0 H ASP A 61 1.844 -5.522 -8.337 1.00 13.34 H new ATOM 0 HA ASP A 61 0.025 -7.630 -7.807 1.00 32.22 H new ATOM 0 HB2 ASP A 61 0.762 -7.246 -10.054 1.00 12.41 H new ATOM 0 HB3 ASP A 61 2.453 -7.289 -9.595 1.00 12.41 H new ATOM 896 N LEU A 62 1.153 -8.976 -6.062 1.00 5.30 N ATOM 897 CA LEU A 62 1.775 -9.879 -5.100 1.00 21.44 C ATOM 898 C LEU A 62 1.431 -11.331 -5.416 1.00 34.21 C ATOM 899 O LEU A 62 0.326 -11.633 -5.867 1.00 50.45 O ATOM 900 CB LEU A 62 1.324 -9.533 -3.680 1.00 1.41 C ATOM 901 CG LEU A 62 1.212 -8.043 -3.356 1.00 51.53 C ATOM 902 CD1 LEU A 62 0.812 -7.841 -1.903 1.00 32.14 C ATOM 903 CD2 LEU A 62 2.524 -7.331 -3.653 1.00 63.33 C ATOM 0 H LEU A 62 0.145 -8.871 -5.951 1.00 5.30 H new ATOM 0 HA LEU A 62 2.856 -9.757 -5.170 1.00 21.44 H new ATOM 0 HB2 LEU A 62 0.353 -9.996 -3.506 1.00 1.41 H new ATOM 0 HB3 LEU A 62 2.024 -9.986 -2.978 1.00 1.41 H new ATOM 0 HG LEU A 62 0.436 -7.612 -3.989 1.00 51.53 H new ATOM 0 HD11 LEU A 62 0.737 -6.774 -1.691 1.00 32.14 H new ATOM 0 HD12 LEU A 62 -0.152 -8.315 -1.722 1.00 32.14 H new ATOM 0 HD13 LEU A 62 1.564 -8.288 -1.253 1.00 32.14 H new ATOM 0 HD21 LEU A 62 2.425 -6.272 -3.416 1.00 63.33 H new ATOM 0 HD22 LEU A 62 3.319 -7.765 -3.047 1.00 63.33 H new ATOM 0 HD23 LEU A 62 2.769 -7.445 -4.709 1.00 63.33 H new ATOM 915 N TRP A 63 2.382 -12.225 -5.172 1.00 75.53 N ATOM 916 CA TRP A 63 2.177 -13.647 -5.429 1.00 3.20 C ATOM 917 C TRP A 63 2.823 -14.495 -4.338 1.00 72.11 C ATOM 918 O TRP A 63 4.048 -14.568 -4.240 1.00 31.24 O ATOM 919 CB TRP A 63 2.751 -14.027 -6.795 1.00 23.13 C ATOM 920 CG TRP A 63 1.815 -13.747 -7.931 1.00 74.12 C ATOM 921 CD1 TRP A 63 1.927 -12.751 -8.859 1.00 11.43 C ATOM 922 CD2 TRP A 63 0.624 -14.471 -8.259 1.00 71.52 C ATOM 923 NE1 TRP A 63 0.877 -12.812 -9.743 1.00 12.01 N ATOM 924 CE2 TRP A 63 0.064 -13.859 -9.398 1.00 1.24 C ATOM 925 CE3 TRP A 63 -0.023 -15.577 -7.703 1.00 24.44 C ATOM 926 CZ2 TRP A 63 -1.111 -14.318 -9.986 1.00 40.33 C ATOM 927 CZ3 TRP A 63 -1.190 -16.031 -8.288 1.00 21.42 C ATOM 928 CH2 TRP A 63 -1.724 -15.402 -9.420 1.00 51.04 C ATOM 0 H TRP A 63 3.302 -11.992 -4.797 1.00 75.53 H new ATOM 0 HA TRP A 63 1.104 -13.841 -5.427 1.00 3.20 H new ATOM 0 HB2 TRP A 63 3.680 -13.480 -6.956 1.00 23.13 H new ATOM 0 HB3 TRP A 63 3.002 -15.088 -6.793 1.00 23.13 H new ATOM 0 HD1 TRP A 63 2.724 -12.023 -8.893 1.00 11.43 H new ATOM 0 HE1 TRP A 63 0.727 -12.180 -10.529 1.00 12.01 H new ATOM 0 HE3 TRP A 63 0.382 -16.069 -6.831 1.00 24.44 H new ATOM 0 HZ2 TRP A 63 -1.525 -13.835 -10.859 1.00 40.33 H new ATOM 0 HZ3 TRP A 63 -1.699 -16.885 -7.865 1.00 21.42 H new ATOM 0 HH2 TRP A 63 -2.638 -15.780 -9.854 1.00 51.04 H new ATOM 939 N HIS A 64 1.991 -15.134 -3.522 1.00 34.11 N ATOM 940 CA HIS A 64 2.482 -15.978 -2.439 1.00 34.34 C ATOM 941 C HIS A 64 3.320 -15.167 -1.454 1.00 72.10 C ATOM 942 O HIS A 64 4.316 -15.654 -0.923 1.00 32.44 O ATOM 943 CB HIS A 64 3.310 -17.134 -2.999 1.00 63.32 C ATOM 944 CG HIS A 64 2.604 -17.915 -4.065 1.00 41.10 C ATOM 945 ND1 HIS A 64 2.102 -17.527 -5.261 1.00 11.41 N flip ATOM 946 CD2 HIS A 64 2.344 -19.265 -3.961 1.00 2.15 C flip ATOM 947 CE1 HIS A 64 1.554 -18.640 -5.852 1.00 13.30 C flip ATOM 948 NE2 HIS A 64 1.714 -19.675 -5.047 1.00 3.42 N flip ATOM 0 H HIS A 64 0.975 -15.083 -3.590 1.00 34.11 H new ATOM 0 HA HIS A 64 1.620 -16.382 -1.909 1.00 34.34 H new ATOM 0 HB2 HIS A 64 4.241 -16.740 -3.406 1.00 63.32 H new ATOM 0 HB3 HIS A 64 3.578 -17.807 -2.184 1.00 63.32 H new ATOM 0 HD2 HIS A 64 2.613 -19.890 -3.122 1.00 2.15 H new ATOM 0 HE1 HIS A 64 1.071 -18.665 -6.818 1.00 13.30 H new ATOM 0 HE2 HIS A 64 1.404 -20.629 -5.233 1.00 3.42 H new ATOM 957 N GLY A 65 2.909 -13.925 -1.218 1.00 14.50 N ATOM 958 CA GLY A 65 3.633 -13.065 -0.299 1.00 75.45 C ATOM 959 C GLY A 65 4.756 -12.307 -0.978 1.00 53.44 C ATOM 960 O GLY A 65 5.144 -11.229 -0.531 1.00 51.41 O ATOM 0 H GLY A 65 2.088 -13.499 -1.647 1.00 14.50 H new ATOM 0 HA2 GLY A 65 2.940 -12.355 0.152 1.00 75.45 H new ATOM 0 HA3 GLY A 65 4.043 -13.668 0.511 1.00 75.45 H new ATOM 964 N ALA A 66 5.279 -12.871 -2.062 1.00 20.12 N ATOM 965 CA ALA A 66 6.364 -12.241 -2.804 1.00 52.04 C ATOM 966 C ALA A 66 5.822 -11.354 -3.920 1.00 70.32 C ATOM 967 O ALA A 66 5.043 -11.804 -4.761 1.00 61.21 O ATOM 968 CB ALA A 66 7.299 -13.298 -3.373 1.00 14.54 C ATOM 0 H ALA A 66 4.968 -13.764 -2.446 1.00 20.12 H new ATOM 0 HA ALA A 66 6.925 -11.611 -2.114 1.00 52.04 H new ATOM 0 HB1 ALA A 66 8.104 -12.813 -3.924 1.00 14.54 H new ATOM 0 HB2 ALA A 66 7.721 -13.887 -2.559 1.00 14.54 H new ATOM 0 HB3 ALA A 66 6.743 -13.953 -4.044 1.00 14.54 H new ATOM 974 N CYS A 67 6.238 -10.093 -3.923 1.00 2.22 N ATOM 975 CA CYS A 67 5.794 -9.142 -4.935 1.00 44.13 C ATOM 976 C CYS A 67 6.197 -9.608 -6.332 1.00 75.42 C ATOM 977 O CYS A 67 7.050 -10.481 -6.484 1.00 64.43 O ATOM 978 CB CYS A 67 6.384 -7.758 -4.658 1.00 52.35 C ATOM 979 SG CYS A 67 5.436 -6.386 -5.392 1.00 20.21 S ATOM 0 H CYS A 67 6.883 -9.705 -3.235 1.00 2.22 H new ATOM 0 HA CYS A 67 4.707 -9.082 -4.890 1.00 44.13 H new ATOM 0 HB2 CYS A 67 6.443 -7.609 -3.580 1.00 52.35 H new ATOM 0 HB3 CYS A 67 7.404 -7.726 -5.041 1.00 52.35 H new ATOM 984 N ARG A 68 5.574 -9.020 -7.348 1.00 54.22 N ATOM 985 CA ARG A 68 5.865 -9.375 -8.732 1.00 50.21 C ATOM 986 C ARG A 68 6.140 -8.127 -9.566 1.00 60.15 C ATOM 987 O ARG A 68 7.145 -8.048 -10.272 1.00 32.45 O ATOM 988 CB ARG A 68 4.698 -10.159 -9.336 1.00 44.43 C ATOM 989 CG ARG A 68 5.124 -11.173 -10.385 1.00 2.24 C ATOM 990 CD ARG A 68 5.882 -12.334 -9.760 1.00 72.53 C ATOM 991 NE ARG A 68 6.041 -13.448 -10.692 1.00 61.43 N ATOM 992 CZ ARG A 68 6.992 -13.502 -11.618 1.00 24.23 C ATOM 993 NH1 ARG A 68 7.865 -12.511 -11.734 1.00 54.01 N ATOM 994 NH2 ARG A 68 7.072 -14.549 -12.429 1.00 10.42 N ATOM 0 H ARG A 68 4.864 -8.295 -7.239 1.00 54.22 H new ATOM 0 HA ARG A 68 6.757 -10.001 -8.741 1.00 50.21 H new ATOM 0 HB2 ARG A 68 4.167 -10.677 -8.537 1.00 44.43 H new ATOM 0 HB3 ARG A 68 3.994 -9.458 -9.785 1.00 44.43 H new ATOM 0 HG2 ARG A 68 4.244 -11.550 -10.907 1.00 2.24 H new ATOM 0 HG3 ARG A 68 5.752 -10.685 -11.130 1.00 2.24 H new ATOM 0 HD2 ARG A 68 6.864 -11.992 -9.433 1.00 72.53 H new ATOM 0 HD3 ARG A 68 5.352 -12.677 -8.872 1.00 72.53 H new ATOM 0 HE ARG A 68 5.386 -14.227 -10.628 1.00 61.43 H new ATOM 0 HH11 ARG A 68 7.807 -11.705 -11.112 1.00 54.01 H new ATOM 0 HH12 ARG A 68 8.594 -12.555 -12.446 1.00 54.01 H new ATOM 0 HH21 ARG A 68 6.403 -15.314 -12.342 1.00 10.42 H new ATOM 0 HH22 ARG A 68 7.803 -14.589 -13.140 1.00 10.42 H new ATOM 1008 N GLY A 69 5.238 -7.154 -9.482 1.00 33.11 N ATOM 1009 CA GLY A 69 5.401 -5.924 -10.235 1.00 14.03 C ATOM 1010 C GLY A 69 4.644 -4.763 -9.621 1.00 1.23 C ATOM 1011 O GLY A 69 3.751 -4.962 -8.797 1.00 1.21 O ATOM 0 H GLY A 69 4.397 -7.196 -8.906 1.00 33.11 H new ATOM 0 HA2 GLY A 69 6.460 -5.674 -10.291 1.00 14.03 H new ATOM 0 HA3 GLY A 69 5.056 -6.079 -11.257 1.00 14.03 H new ATOM 1015 N ALA A 70 5.001 -3.547 -10.021 1.00 24.34 N ATOM 1016 CA ALA A 70 4.349 -2.351 -9.504 1.00 41.11 C ATOM 1017 C ALA A 70 4.278 -1.262 -10.569 1.00 43.21 C ATOM 1018 O ALA A 70 5.246 -1.019 -11.290 1.00 72.22 O ATOM 1019 CB ALA A 70 5.082 -1.840 -8.272 1.00 11.32 C ATOM 0 H ALA A 70 5.738 -3.365 -10.702 1.00 24.34 H new ATOM 0 HA ALA A 70 3.330 -2.616 -9.222 1.00 41.11 H new ATOM 0 HB1 ALA A 70 4.584 -0.946 -7.897 1.00 11.32 H new ATOM 0 HB2 ALA A 70 5.077 -2.610 -7.500 1.00 11.32 H new ATOM 0 HB3 ALA A 70 6.112 -1.598 -8.536 1.00 11.32 H new ATOM 1025 N LYS A 71 3.126 -0.606 -10.662 1.00 75.42 N ATOM 1026 CA LYS A 71 2.927 0.458 -11.638 1.00 63.11 C ATOM 1027 C LYS A 71 1.967 1.516 -11.103 1.00 22.13 C ATOM 1028 O LYS A 71 0.912 1.192 -10.560 1.00 33.44 O ATOM 1029 CB LYS A 71 2.387 -0.119 -12.949 1.00 50.34 C ATOM 1030 CG LYS A 71 1.186 -1.030 -12.764 1.00 21.02 C ATOM 1031 CD LYS A 71 0.589 -1.444 -14.099 1.00 2.42 C ATOM 1032 CE LYS A 71 -0.732 -0.736 -14.362 1.00 1.41 C ATOM 1033 NZ LYS A 71 -1.614 -1.525 -15.265 1.00 61.04 N ATOM 0 H LYS A 71 2.315 -0.793 -10.072 1.00 75.42 H new ATOM 0 HA LYS A 71 3.892 0.930 -11.825 1.00 63.11 H new ATOM 0 HB2 LYS A 71 2.111 0.702 -13.611 1.00 50.34 H new ATOM 0 HB3 LYS A 71 3.182 -0.676 -13.446 1.00 50.34 H new ATOM 0 HG2 LYS A 71 1.484 -1.918 -12.207 1.00 21.02 H new ATOM 0 HG3 LYS A 71 0.429 -0.519 -12.169 1.00 21.02 H new ATOM 0 HD2 LYS A 71 1.292 -1.215 -14.900 1.00 2.42 H new ATOM 0 HD3 LYS A 71 0.434 -2.523 -14.111 1.00 2.42 H new ATOM 0 HE2 LYS A 71 -1.245 -0.561 -13.416 1.00 1.41 H new ATOM 0 HE3 LYS A 71 -0.539 0.241 -14.806 1.00 1.41 H new ATOM 0 HZ1 LYS A 71 -2.504 -1.009 -15.419 1.00 61.04 H new ATOM 0 HZ2 LYS A 71 -1.136 -1.671 -16.177 1.00 61.04 H new ATOM 0 HZ3 LYS A 71 -1.820 -2.447 -14.830 1.00 61.04 H new ATOM 1047 N ALA A 72 2.341 2.781 -11.261 1.00 1.45 N ATOM 1048 CA ALA A 72 1.511 3.886 -10.795 1.00 23.21 C ATOM 1049 C ALA A 72 0.582 4.378 -11.899 1.00 64.54 C ATOM 1050 O ALA A 72 1.011 4.604 -13.031 1.00 42.22 O ATOM 1051 CB ALA A 72 2.385 5.025 -10.292 1.00 14.43 C ATOM 0 H ALA A 72 3.212 3.067 -11.708 1.00 1.45 H new ATOM 0 HA ALA A 72 0.895 3.524 -9.972 1.00 23.21 H new ATOM 0 HB1 ALA A 72 1.753 5.843 -9.947 1.00 14.43 H new ATOM 0 HB2 ALA A 72 3.004 4.672 -9.467 1.00 14.43 H new ATOM 0 HB3 ALA A 72 3.025 5.377 -11.101 1.00 14.43 H new ATOM 1057 N VAL A 73 -0.694 4.541 -11.564 1.00 25.31 N ATOM 1058 CA VAL A 73 -1.684 5.006 -12.528 1.00 1.54 C ATOM 1059 C VAL A 73 -2.635 6.015 -11.895 1.00 33.14 C ATOM 1060 O VAL A 73 -3.247 5.742 -10.863 1.00 32.21 O ATOM 1061 CB VAL A 73 -2.502 3.835 -13.101 1.00 74.31 C ATOM 1062 CG1 VAL A 73 -2.821 2.821 -12.013 1.00 3.44 C ATOM 1063 CG2 VAL A 73 -3.778 4.345 -13.755 1.00 11.42 C ATOM 0 H VAL A 73 -1.066 4.358 -10.632 1.00 25.31 H new ATOM 0 HA VAL A 73 -1.136 5.487 -13.338 1.00 1.54 H new ATOM 0 HB VAL A 73 -1.903 3.337 -13.864 1.00 74.31 H new ATOM 0 HG11 VAL A 73 -3.400 2.001 -12.438 1.00 3.44 H new ATOM 0 HG12 VAL A 73 -1.893 2.432 -11.595 1.00 3.44 H new ATOM 0 HG13 VAL A 73 -3.400 3.303 -11.225 1.00 3.44 H new ATOM 0 HG21 VAL A 73 -4.344 3.503 -14.155 1.00 11.42 H new ATOM 0 HG22 VAL A 73 -4.382 4.869 -13.014 1.00 11.42 H new ATOM 0 HG23 VAL A 73 -3.524 5.028 -14.565 1.00 11.42 H new ATOM 1073 N GLU A 74 -2.755 7.181 -12.520 1.00 52.33 N ATOM 1074 CA GLU A 74 -3.632 8.232 -12.017 1.00 73.30 C ATOM 1075 C GLU A 74 -4.991 8.183 -12.709 1.00 54.33 C ATOM 1076 O GLU A 74 -5.086 8.324 -13.928 1.00 2.32 O ATOM 1077 CB GLU A 74 -2.991 9.605 -12.223 1.00 53.43 C ATOM 1078 CG GLU A 74 -1.541 9.674 -11.776 1.00 50.11 C ATOM 1079 CD GLU A 74 -0.569 9.392 -12.904 1.00 45.25 C ATOM 1080 OE1 GLU A 74 -0.742 9.974 -13.996 1.00 5.43 O ATOM 1081 OE2 GLU A 74 0.365 8.589 -12.697 1.00 4.01 O ATOM 0 H GLU A 74 -2.256 7.422 -13.376 1.00 52.33 H new ATOM 0 HA GLU A 74 -3.781 8.066 -10.950 1.00 73.30 H new ATOM 0 HB2 GLU A 74 -3.050 9.869 -13.279 1.00 53.43 H new ATOM 0 HB3 GLU A 74 -3.567 10.351 -11.675 1.00 53.43 H new ATOM 0 HG2 GLU A 74 -1.338 10.663 -11.365 1.00 50.11 H new ATOM 0 HG3 GLU A 74 -1.378 8.956 -10.973 1.00 50.11 H new ATOM 1120 N GLU A 78 -6.525 -1.164 -11.945 1.00 10.40 N ATOM 1121 CA GLU A 78 -7.143 -2.484 -11.987 1.00 62.23 C ATOM 1122 C GLU A 78 -6.350 -3.484 -11.152 1.00 24.15 C ATOM 1123 O GLU A 78 -5.186 -3.761 -11.437 1.00 21.22 O ATOM 1124 CB GLU A 78 -7.244 -2.978 -13.432 1.00 53.43 C ATOM 1125 CG GLU A 78 -8.028 -4.271 -13.580 1.00 55.45 C ATOM 1126 CD GLU A 78 -8.294 -4.629 -15.029 1.00 73.21 C ATOM 1127 OE1 GLU A 78 -7.387 -4.429 -15.865 1.00 13.11 O ATOM 1128 OE2 GLU A 78 -9.407 -5.110 -15.328 1.00 52.31 O ATOM 0 HA GLU A 78 -8.145 -2.400 -11.567 1.00 62.23 H new ATOM 0 HB2 GLU A 78 -7.716 -2.205 -14.039 1.00 53.43 H new ATOM 0 HB3 GLU A 78 -6.239 -3.125 -13.828 1.00 53.43 H new ATOM 0 HG2 GLU A 78 -7.477 -5.082 -13.104 1.00 55.45 H new ATOM 0 HG3 GLU A 78 -8.977 -4.178 -13.052 1.00 55.45 H new ATOM 1135 N ALA A 79 -6.989 -4.021 -10.118 1.00 30.12 N ATOM 1136 CA ALA A 79 -6.345 -4.990 -9.241 1.00 32.20 C ATOM 1137 C ALA A 79 -7.379 -5.835 -8.503 1.00 1.24 C ATOM 1138 O ALA A 79 -8.570 -5.527 -8.517 1.00 71.23 O ATOM 1139 CB ALA A 79 -5.435 -4.282 -8.249 1.00 24.23 C ATOM 0 H ALA A 79 -7.953 -3.801 -9.867 1.00 30.12 H new ATOM 0 HA ALA A 79 -5.742 -5.656 -9.858 1.00 32.20 H new ATOM 0 HB1 ALA A 79 -4.961 -5.019 -7.600 1.00 24.23 H new ATOM 0 HB2 ALA A 79 -4.668 -3.728 -8.790 1.00 24.23 H new ATOM 0 HB3 ALA A 79 -6.023 -3.591 -7.644 1.00 24.23 H new ATOM 1145 N ASP A 80 -6.914 -6.900 -7.860 1.00 22.54 N ATOM 1146 CA ASP A 80 -7.798 -7.790 -7.116 1.00 75.11 C ATOM 1147 C ASP A 80 -8.223 -7.155 -5.795 1.00 45.52 C ATOM 1148 O ASP A 80 -9.243 -7.526 -5.214 1.00 45.22 O ATOM 1149 CB ASP A 80 -7.108 -9.129 -6.853 1.00 3.25 C ATOM 1150 CG ASP A 80 -7.217 -10.077 -8.030 1.00 65.12 C ATOM 1151 OD1 ASP A 80 -6.766 -9.705 -9.134 1.00 74.52 O ATOM 1152 OD2 ASP A 80 -7.752 -11.191 -7.848 1.00 64.41 O ATOM 0 H ASP A 80 -5.930 -7.168 -7.839 1.00 22.54 H new ATOM 0 HA ASP A 80 -8.689 -7.962 -7.720 1.00 75.11 H new ATOM 0 HB2 ASP A 80 -6.056 -8.954 -6.627 1.00 3.25 H new ATOM 0 HB3 ASP A 80 -7.550 -9.595 -5.972 1.00 3.25 H new ATOM 1157 N PHE A 81 -7.432 -6.196 -5.326 1.00 0.34 N ATOM 1158 CA PHE A 81 -7.724 -5.509 -4.072 1.00 31.44 C ATOM 1159 C PHE A 81 -7.433 -4.016 -4.189 1.00 33.31 C ATOM 1160 O PHE A 81 -6.306 -3.572 -3.971 1.00 33.21 O ATOM 1161 CB PHE A 81 -6.901 -6.113 -2.931 1.00 74.44 C ATOM 1162 CG PHE A 81 -7.156 -7.577 -2.719 1.00 73.55 C ATOM 1163 CD1 PHE A 81 -8.395 -8.024 -2.290 1.00 35.14 C ATOM 1164 CD2 PHE A 81 -6.155 -8.509 -2.950 1.00 75.10 C ATOM 1165 CE1 PHE A 81 -8.632 -9.372 -2.093 1.00 2.44 C ATOM 1166 CE2 PHE A 81 -6.386 -9.858 -2.755 1.00 71.01 C ATOM 1167 CZ PHE A 81 -7.626 -10.289 -2.327 1.00 22.33 C ATOM 0 H PHE A 81 -6.584 -5.877 -5.795 1.00 0.34 H new ATOM 0 HA PHE A 81 -8.784 -5.638 -3.854 1.00 31.44 H new ATOM 0 HB2 PHE A 81 -5.842 -5.963 -3.139 1.00 74.44 H new ATOM 0 HB3 PHE A 81 -7.124 -5.576 -2.009 1.00 74.44 H new ATOM 0 HD1 PHE A 81 -9.185 -7.311 -2.107 1.00 35.14 H new ATOM 0 HD2 PHE A 81 -5.184 -8.177 -3.286 1.00 75.10 H new ATOM 0 HE1 PHE A 81 -9.602 -9.707 -1.757 1.00 2.44 H new ATOM 0 HE2 PHE A 81 -5.598 -10.574 -2.937 1.00 71.01 H new ATOM 0 HZ PHE A 81 -7.809 -11.342 -2.175 1.00 22.33 H new ATOM 1177 N VAL A 82 -8.460 -3.245 -4.534 1.00 51.02 N ATOM 1178 CA VAL A 82 -8.316 -1.801 -4.680 1.00 21.52 C ATOM 1179 C VAL A 82 -8.908 -1.066 -3.483 1.00 51.23 C ATOM 1180 O VAL A 82 -10.057 -1.300 -3.104 1.00 24.42 O ATOM 1181 CB VAL A 82 -8.996 -1.296 -5.966 1.00 72.31 C ATOM 1182 CG1 VAL A 82 -8.991 0.224 -6.012 1.00 30.14 C ATOM 1183 CG2 VAL A 82 -8.312 -1.877 -7.194 1.00 41.15 C ATOM 0 H VAL A 82 -9.400 -3.596 -4.717 1.00 51.02 H new ATOM 0 HA VAL A 82 -7.247 -1.594 -4.738 1.00 21.52 H new ATOM 0 HB VAL A 82 -10.033 -1.632 -5.963 1.00 72.31 H new ATOM 0 HG11 VAL A 82 -9.476 0.562 -6.928 1.00 30.14 H new ATOM 0 HG12 VAL A 82 -9.531 0.616 -5.150 1.00 30.14 H new ATOM 0 HG13 VAL A 82 -7.963 0.585 -5.991 1.00 30.14 H new ATOM 0 HG21 VAL A 82 -8.806 -1.509 -8.094 1.00 41.15 H new ATOM 0 HG22 VAL A 82 -7.265 -1.574 -7.205 1.00 41.15 H new ATOM 0 HG23 VAL A 82 -8.374 -2.965 -7.165 1.00 41.15 H new ATOM 1193 N ILE A 83 -8.118 -0.176 -2.892 1.00 52.01 N ATOM 1194 CA ILE A 83 -8.565 0.594 -1.738 1.00 33.12 C ATOM 1195 C ILE A 83 -8.415 2.092 -1.985 1.00 61.41 C ATOM 1196 O ILE A 83 -7.368 2.553 -2.436 1.00 65.20 O ATOM 1197 CB ILE A 83 -7.782 0.213 -0.468 1.00 44.23 C ATOM 1198 CG1 ILE A 83 -7.710 -1.308 -0.323 1.00 63.44 C ATOM 1199 CG2 ILE A 83 -8.426 0.838 0.759 1.00 20.24 C ATOM 1200 CD1 ILE A 83 -6.769 -1.768 0.768 1.00 34.31 C ATOM 0 H ILE A 83 -7.165 0.030 -3.193 1.00 52.01 H new ATOM 0 HA ILE A 83 -9.618 0.356 -1.589 1.00 33.12 H new ATOM 0 HB ILE A 83 -6.766 0.598 -0.557 1.00 44.23 H new ATOM 0 HG12 ILE A 83 -8.709 -1.693 -0.116 1.00 63.44 H new ATOM 0 HG13 ILE A 83 -7.392 -1.740 -1.272 1.00 63.44 H new ATOM 0 HG21 ILE A 83 -7.861 0.559 1.648 1.00 20.24 H new ATOM 0 HG22 ILE A 83 -8.428 1.923 0.656 1.00 20.24 H new ATOM 0 HG23 ILE A 83 -9.451 0.480 0.854 1.00 20.24 H new ATOM 0 HD11 ILE A 83 -6.769 -2.857 0.813 1.00 34.31 H new ATOM 0 HD12 ILE A 83 -5.761 -1.414 0.552 1.00 34.31 H new ATOM 0 HD13 ILE A 83 -7.098 -1.365 1.726 1.00 34.31 H new ATOM 1212 N GLU A 84 -9.468 2.844 -1.685 1.00 41.42 N ATOM 1213 CA GLU A 84 -9.452 4.290 -1.874 1.00 0.44 C ATOM 1214 C GLU A 84 -9.803 5.012 -0.576 1.00 30.04 C ATOM 1215 O GLU A 84 -10.795 4.692 0.076 1.00 14.21 O ATOM 1216 CB GLU A 84 -10.433 4.694 -2.976 1.00 35.12 C ATOM 1217 CG GLU A 84 -10.854 6.152 -2.912 1.00 44.03 C ATOM 1218 CD GLU A 84 -11.950 6.488 -3.905 1.00 62.04 C ATOM 1219 OE1 GLU A 84 -11.620 6.787 -5.072 1.00 51.12 O ATOM 1220 OE2 GLU A 84 -13.136 6.450 -3.517 1.00 10.41 O ATOM 0 H GLU A 84 -10.343 2.477 -1.310 1.00 41.42 H new ATOM 0 HA GLU A 84 -8.444 4.581 -2.171 1.00 0.44 H new ATOM 0 HB2 GLU A 84 -9.977 4.499 -3.946 1.00 35.12 H new ATOM 0 HB3 GLU A 84 -11.321 4.065 -2.909 1.00 35.12 H new ATOM 0 HG2 GLU A 84 -11.199 6.382 -1.904 1.00 44.03 H new ATOM 0 HG3 GLU A 84 -9.988 6.785 -3.105 1.00 44.03 H new ATOM 1227 N ALA A 85 -8.979 5.988 -0.208 1.00 14.34 N ATOM 1228 CA ALA A 85 -9.203 6.758 1.010 1.00 24.31 C ATOM 1229 C ALA A 85 -8.424 8.069 0.982 1.00 21.11 C ATOM 1230 O ALA A 85 -7.462 8.214 0.228 1.00 14.42 O ATOM 1231 CB ALA A 85 -8.813 5.937 2.231 1.00 13.21 C ATOM 0 H ALA A 85 -8.151 6.264 -0.735 1.00 14.34 H new ATOM 0 HA ALA A 85 -10.265 6.998 1.069 1.00 24.31 H new ATOM 0 HB1 ALA A 85 -8.985 6.523 3.134 1.00 13.21 H new ATOM 0 HB2 ALA A 85 -9.416 5.030 2.267 1.00 13.21 H new ATOM 0 HB3 ALA A 85 -7.758 5.669 2.168 1.00 13.21 H new ATOM 1237 N ASP A 86 -8.847 9.020 1.808 1.00 70.05 N ATOM 1238 CA ASP A 86 -8.189 10.320 1.877 1.00 21.32 C ATOM 1239 C ASP A 86 -6.681 10.156 2.040 1.00 41.53 C ATOM 1240 O ASP A 86 -6.211 9.183 2.629 1.00 2.25 O ATOM 1241 CB ASP A 86 -8.755 11.139 3.038 1.00 45.41 C ATOM 1242 CG ASP A 86 -10.109 11.741 2.716 1.00 24.11 C ATOM 1243 OD1 ASP A 86 -10.253 12.328 1.623 1.00 70.14 O ATOM 1244 OD2 ASP A 86 -11.024 11.624 3.557 1.00 1.51 O ATOM 0 H ASP A 86 -9.642 8.915 2.439 1.00 70.05 H new ATOM 0 HA ASP A 86 -8.380 10.848 0.943 1.00 21.32 H new ATOM 0 HB2 ASP A 86 -8.844 10.503 3.918 1.00 45.41 H new ATOM 0 HB3 ASP A 86 -8.057 11.937 3.290 1.00 45.41 H new ATOM 1249 N LEU A 87 -5.928 11.116 1.514 1.00 45.34 N ATOM 1250 CA LEU A 87 -4.472 11.079 1.599 1.00 1.24 C ATOM 1251 C LEU A 87 -4.009 11.184 3.048 1.00 33.14 C ATOM 1252 O LEU A 87 -3.017 10.570 3.439 1.00 70.12 O ATOM 1253 CB LEU A 87 -3.865 12.215 0.774 1.00 4.33 C ATOM 1254 CG LEU A 87 -2.361 12.439 0.946 1.00 53.35 C ATOM 1255 CD1 LEU A 87 -1.587 11.193 0.548 1.00 73.40 C ATOM 1256 CD2 LEU A 87 -1.904 13.637 0.126 1.00 5.23 C ATOM 0 H LEU A 87 -6.301 11.929 1.024 1.00 45.34 H new ATOM 0 HA LEU A 87 -4.133 10.124 1.197 1.00 1.24 H new ATOM 0 HB2 LEU A 87 -4.065 12.019 -0.279 1.00 4.33 H new ATOM 0 HB3 LEU A 87 -4.382 13.140 1.030 1.00 4.33 H new ATOM 0 HG LEU A 87 -2.161 12.645 1.998 1.00 53.35 H new ATOM 0 HD11 LEU A 87 -0.519 11.371 0.677 1.00 73.40 H new ATOM 0 HD12 LEU A 87 -1.894 10.358 1.177 1.00 73.40 H new ATOM 0 HD13 LEU A 87 -1.792 10.955 -0.496 1.00 73.40 H new ATOM 0 HD21 LEU A 87 -0.832 13.782 0.260 1.00 5.23 H new ATOM 0 HD22 LEU A 87 -2.117 13.459 -0.928 1.00 5.23 H new ATOM 0 HD23 LEU A 87 -2.435 14.529 0.458 1.00 5.23 H new ATOM 1268 N ALA A 88 -4.736 11.963 3.842 1.00 2.42 N ATOM 1269 CA ALA A 88 -4.403 12.144 5.249 1.00 2.20 C ATOM 1270 C ALA A 88 -4.437 10.816 5.997 1.00 63.14 C ATOM 1271 O ALA A 88 -3.610 10.563 6.874 1.00 14.31 O ATOM 1272 CB ALA A 88 -5.356 13.141 5.893 1.00 21.51 C ATOM 0 H ALA A 88 -5.560 12.479 3.534 1.00 2.42 H new ATOM 0 HA ALA A 88 -3.388 12.538 5.309 1.00 2.20 H new ATOM 0 HB1 ALA A 88 -5.096 13.267 6.944 1.00 21.51 H new ATOM 0 HB2 ALA A 88 -5.278 14.101 5.383 1.00 21.51 H new ATOM 0 HB3 ALA A 88 -6.378 12.770 5.814 1.00 21.51 H new ATOM 1278 N THR A 89 -5.400 9.969 5.645 1.00 13.30 N ATOM 1279 CA THR A 89 -5.543 8.668 6.284 1.00 22.34 C ATOM 1280 C THR A 89 -4.487 7.689 5.784 1.00 44.34 C ATOM 1281 O THR A 89 -4.078 6.779 6.505 1.00 21.25 O ATOM 1282 CB THR A 89 -6.940 8.069 6.033 1.00 50.04 C ATOM 1283 OG1 THR A 89 -7.940 8.872 6.670 1.00 45.44 O ATOM 1284 CG2 THR A 89 -7.020 6.643 6.556 1.00 60.22 C ATOM 0 H THR A 89 -6.092 10.162 4.921 1.00 13.30 H new ATOM 0 HA THR A 89 -5.410 8.827 7.354 1.00 22.34 H new ATOM 0 HB THR A 89 -7.116 8.055 4.957 1.00 50.04 H new ATOM 0 HG1 THR A 89 -8.825 8.485 6.504 1.00 45.44 H new ATOM 0 HG21 THR A 89 -8.016 6.242 6.367 1.00 60.22 H new ATOM 0 HG22 THR A 89 -6.278 6.027 6.048 1.00 60.22 H new ATOM 0 HG23 THR A 89 -6.824 6.637 7.628 1.00 60.22 H new ATOM 1292 N TRP A 90 -4.046 7.884 4.546 1.00 53.42 N ATOM 1293 CA TRP A 90 -3.035 7.019 3.949 1.00 22.34 C ATOM 1294 C TRP A 90 -1.661 7.292 4.552 1.00 3.11 C ATOM 1295 O TRP A 90 -0.939 6.364 4.915 1.00 4.35 O ATOM 1296 CB TRP A 90 -2.990 7.222 2.434 1.00 21.42 C ATOM 1297 CG TRP A 90 -3.996 6.393 1.694 1.00 61.30 C ATOM 1298 CD1 TRP A 90 -4.976 6.845 0.859 1.00 52.13 C ATOM 1299 CD2 TRP A 90 -4.119 4.966 1.724 1.00 3.35 C ATOM 1300 NE1 TRP A 90 -5.703 5.787 0.369 1.00 2.30 N ATOM 1301 CE2 TRP A 90 -5.196 4.623 0.884 1.00 44.14 C ATOM 1302 CE3 TRP A 90 -3.424 3.946 2.379 1.00 70.50 C ATOM 1303 CZ2 TRP A 90 -5.592 3.304 0.683 1.00 35.00 C ATOM 1304 CZ3 TRP A 90 -3.818 2.637 2.179 1.00 34.10 C ATOM 1305 CH2 TRP A 90 -4.894 2.325 1.336 1.00 22.23 C ATOM 0 H TRP A 90 -4.373 8.634 3.936 1.00 53.42 H new ATOM 0 HA TRP A 90 -3.306 5.985 4.162 1.00 22.34 H new ATOM 0 HB2 TRP A 90 -3.162 8.275 2.210 1.00 21.42 H new ATOM 0 HB3 TRP A 90 -1.991 6.978 2.071 1.00 21.42 H new ATOM 0 HD1 TRP A 90 -5.154 7.883 0.618 1.00 52.13 H new ATOM 0 HE1 TRP A 90 -6.492 5.857 -0.274 1.00 2.30 H new ATOM 0 HE3 TRP A 90 -2.594 4.177 3.030 1.00 70.50 H new ATOM 0 HZ2 TRP A 90 -6.421 3.062 0.035 1.00 35.00 H new ATOM 0 HZ3 TRP A 90 -3.288 1.841 2.680 1.00 34.10 H new ATOM 0 HH2 TRP A 90 -5.177 1.292 1.199 1.00 22.23 H new ATOM 1316 N GLN A 91 -1.307 8.569 4.656 1.00 52.13 N ATOM 1317 CA GLN A 91 -0.019 8.962 5.214 1.00 41.24 C ATOM 1318 C GLN A 91 0.205 8.311 6.574 1.00 63.10 C ATOM 1319 O GLN A 91 1.308 7.858 6.881 1.00 4.31 O ATOM 1320 CB GLN A 91 0.061 10.484 5.345 1.00 42.14 C ATOM 1321 CG GLN A 91 0.048 11.211 4.009 1.00 22.41 C ATOM 1322 CD GLN A 91 1.088 12.312 3.935 1.00 55.41 C ATOM 1323 OE1 GLN A 91 1.853 12.524 4.875 1.00 23.23 O ATOM 1324 NE2 GLN A 91 1.118 13.022 2.813 1.00 41.30 N ATOM 0 H GLN A 91 -1.894 9.349 4.361 1.00 52.13 H new ATOM 0 HA GLN A 91 0.762 8.621 4.535 1.00 41.24 H new ATOM 0 HB2 GLN A 91 -0.778 10.833 5.947 1.00 42.14 H new ATOM 0 HB3 GLN A 91 0.972 10.747 5.883 1.00 42.14 H new ATOM 0 HG2 GLN A 91 0.226 10.494 3.207 1.00 22.41 H new ATOM 0 HG3 GLN A 91 -0.941 11.638 3.841 1.00 22.41 H new ATOM 0 HE21 GLN A 91 0.465 12.811 2.059 1.00 41.30 H new ATOM 0 HE22 GLN A 91 1.795 13.778 2.706 1.00 41.30 H new ATOM 1333 N GLU A 92 -0.847 8.268 7.385 1.00 1.03 N ATOM 1334 CA GLU A 92 -0.762 7.672 8.714 1.00 53.12 C ATOM 1335 C GLU A 92 -0.108 6.296 8.652 1.00 25.42 C ATOM 1336 O GLU A 92 1.012 6.106 9.128 1.00 11.12 O ATOM 1337 CB GLU A 92 -2.156 7.559 9.336 1.00 43.02 C ATOM 1338 CG GLU A 92 -2.976 8.833 9.227 1.00 40.34 C ATOM 1339 CD GLU A 92 -3.429 9.353 10.578 1.00 22.00 C ATOM 1340 OE1 GLU A 92 -2.558 9.724 11.393 1.00 42.13 O ATOM 1341 OE2 GLU A 92 -4.653 9.389 10.820 1.00 33.52 O ATOM 0 H GLU A 92 -1.767 8.638 7.146 1.00 1.03 H new ATOM 0 HA GLU A 92 -0.145 8.320 9.337 1.00 53.12 H new ATOM 0 HB2 GLU A 92 -2.696 6.746 8.851 1.00 43.02 H new ATOM 0 HB3 GLU A 92 -2.055 7.291 10.388 1.00 43.02 H new ATOM 0 HG2 GLU A 92 -2.384 9.600 8.727 1.00 40.34 H new ATOM 0 HG3 GLU A 92 -3.849 8.646 8.602 1.00 40.34 H new ATOM 1348 N VAL A 93 -0.814 5.336 8.064 1.00 72.33 N ATOM 1349 CA VAL A 93 -0.303 3.977 7.939 1.00 23.41 C ATOM 1350 C VAL A 93 1.191 3.977 7.640 1.00 24.14 C ATOM 1351 O VAL A 93 1.980 3.355 8.355 1.00 14.35 O ATOM 1352 CB VAL A 93 -1.037 3.201 6.829 1.00 61.41 C ATOM 1353 CG1 VAL A 93 -0.694 1.720 6.896 1.00 41.02 C ATOM 1354 CG2 VAL A 93 -2.540 3.413 6.935 1.00 2.50 C ATOM 0 H VAL A 93 -1.743 5.475 7.666 1.00 72.33 H new ATOM 0 HA VAL A 93 -0.479 3.484 8.895 1.00 23.41 H new ATOM 0 HB VAL A 93 -0.706 3.583 5.863 1.00 61.41 H new ATOM 0 HG11 VAL A 93 -1.222 1.188 6.104 1.00 41.02 H new ATOM 0 HG12 VAL A 93 0.380 1.589 6.767 1.00 41.02 H new ATOM 0 HG13 VAL A 93 -0.995 1.320 7.864 1.00 41.02 H new ATOM 0 HG21 VAL A 93 -3.043 2.858 6.143 1.00 2.50 H new ATOM 0 HG22 VAL A 93 -2.890 3.059 7.905 1.00 2.50 H new ATOM 0 HG23 VAL A 93 -2.766 4.474 6.833 1.00 2.50 H new ATOM 1364 N LEU A 94 1.577 4.678 6.579 1.00 23.32 N ATOM 1365 CA LEU A 94 2.980 4.760 6.185 1.00 14.23 C ATOM 1366 C LEU A 94 3.839 5.279 7.334 1.00 52.11 C ATOM 1367 O LEU A 94 4.960 4.816 7.540 1.00 1.13 O ATOM 1368 CB LEU A 94 3.134 5.671 4.966 1.00 24.33 C ATOM 1369 CG LEU A 94 3.678 5.009 3.699 1.00 61.23 C ATOM 1370 CD1 LEU A 94 5.094 4.502 3.927 1.00 40.44 C ATOM 1371 CD2 LEU A 94 2.767 3.872 3.258 1.00 2.22 C ATOM 0 H LEU A 94 0.939 5.198 5.976 1.00 23.32 H new ATOM 0 HA LEU A 94 3.319 3.757 5.927 1.00 14.23 H new ATOM 0 HB2 LEU A 94 2.161 6.105 4.736 1.00 24.33 H new ATOM 0 HB3 LEU A 94 3.795 6.495 5.234 1.00 24.33 H new ATOM 0 HG LEU A 94 3.705 5.755 2.905 1.00 61.23 H new ATOM 0 HD11 LEU A 94 5.464 4.034 3.015 1.00 40.44 H new ATOM 0 HD12 LEU A 94 5.741 5.337 4.195 1.00 40.44 H new ATOM 0 HD13 LEU A 94 5.093 3.771 4.735 1.00 40.44 H new ATOM 0 HD21 LEU A 94 3.169 3.413 2.355 1.00 2.22 H new ATOM 0 HD22 LEU A 94 2.708 3.125 4.050 1.00 2.22 H new ATOM 0 HD23 LEU A 94 1.770 4.263 3.053 1.00 2.22 H new ATOM 1383 N GLU A 95 3.303 6.241 8.079 1.00 2.42 N ATOM 1384 CA GLU A 95 4.021 6.822 9.207 1.00 22.22 C ATOM 1385 C GLU A 95 4.100 5.833 10.367 1.00 5.31 C ATOM 1386 O GLU A 95 4.660 6.139 11.420 1.00 21.24 O ATOM 1387 CB GLU A 95 3.337 8.111 9.667 1.00 11.14 C ATOM 1388 CG GLU A 95 3.804 9.348 8.919 1.00 32.14 C ATOM 1389 CD GLU A 95 4.420 10.386 9.836 1.00 23.02 C ATOM 1390 OE1 GLU A 95 3.988 10.479 11.004 1.00 52.13 O ATOM 1391 OE2 GLU A 95 5.337 11.106 9.385 1.00 73.42 O ATOM 0 H GLU A 95 2.375 6.634 7.922 1.00 2.42 H new ATOM 0 HA GLU A 95 5.034 7.055 8.880 1.00 22.22 H new ATOM 0 HB2 GLU A 95 2.259 8.006 9.541 1.00 11.14 H new ATOM 0 HB3 GLU A 95 3.521 8.250 10.732 1.00 11.14 H new ATOM 0 HG2 GLU A 95 4.534 9.057 8.163 1.00 32.14 H new ATOM 0 HG3 GLU A 95 2.959 9.790 8.392 1.00 32.14 H new ATOM 1398 N GLY A 96 3.536 4.646 10.166 1.00 15.12 N ATOM 1399 CA GLY A 96 3.553 3.632 11.204 1.00 53.00 C ATOM 1400 C GLY A 96 2.587 3.939 12.331 1.00 4.12 C ATOM 1401 O GLY A 96 2.425 3.139 13.253 1.00 71.33 O ATOM 0 H GLY A 96 3.068 4.369 9.303 1.00 15.12 H new ATOM 0 HA2 GLY A 96 3.302 2.665 10.767 1.00 53.00 H new ATOM 0 HA3 GLY A 96 4.562 3.547 11.608 1.00 53.00 H new ATOM 1405 N ARG A 97 1.947 5.101 12.260 1.00 43.32 N ATOM 1406 CA ARG A 97 0.995 5.513 13.285 1.00 63.25 C ATOM 1407 C ARG A 97 -0.337 4.789 13.112 1.00 63.03 C ATOM 1408 O ARG A 97 -1.037 4.514 14.086 1.00 13.12 O ATOM 1409 CB ARG A 97 0.776 7.026 13.228 1.00 70.44 C ATOM 1410 CG ARG A 97 2.025 7.835 13.535 1.00 63.41 C ATOM 1411 CD ARG A 97 1.779 8.840 14.648 1.00 41.42 C ATOM 1412 NE ARG A 97 2.408 10.129 14.371 1.00 74.24 N ATOM 1413 CZ ARG A 97 2.191 11.223 15.093 1.00 20.32 C ATOM 1414 NH1 ARG A 97 1.368 11.184 16.132 1.00 73.45 N ATOM 1415 NH2 ARG A 97 2.800 12.359 14.777 1.00 62.12 N ATOM 0 H ARG A 97 2.070 5.774 11.504 1.00 43.32 H new ATOM 0 HA ARG A 97 1.409 5.249 14.258 1.00 63.25 H new ATOM 0 HB2 ARG A 97 0.414 7.295 12.236 1.00 70.44 H new ATOM 0 HB3 ARG A 97 -0.006 7.298 13.937 1.00 70.44 H new ATOM 0 HG2 ARG A 97 2.833 7.163 13.823 1.00 63.41 H new ATOM 0 HG3 ARG A 97 2.350 8.359 12.636 1.00 63.41 H new ATOM 0 HD2 ARG A 97 0.706 8.981 14.778 1.00 41.42 H new ATOM 0 HD3 ARG A 97 2.165 8.443 15.587 1.00 41.42 H new ATOM 0 HE ARG A 97 3.049 10.193 13.580 1.00 74.24 H new ATOM 0 HH11 ARG A 97 0.899 10.312 16.379 1.00 73.45 H new ATOM 0 HH12 ARG A 97 1.204 12.026 16.684 1.00 73.45 H new ATOM 0 HH21 ARG A 97 3.435 12.393 13.979 1.00 62.12 H new ATOM 0 HH22 ARG A 97 2.633 13.199 15.332 1.00 62.12 H new ATOM 1429 N LEU A 98 -0.680 4.482 11.866 1.00 43.23 N ATOM 1430 CA LEU A 98 -1.929 3.789 11.565 1.00 43.25 C ATOM 1431 C LEU A 98 -1.657 2.417 10.957 1.00 21.32 C ATOM 1432 O LEU A 98 -0.506 2.045 10.731 1.00 24.31 O ATOM 1433 CB LEU A 98 -2.779 4.624 10.605 1.00 21.03 C ATOM 1434 CG LEU A 98 -3.847 5.508 11.251 1.00 74.33 C ATOM 1435 CD1 LEU A 98 -4.737 6.131 10.187 1.00 35.02 C ATOM 1436 CD2 LEU A 98 -4.677 4.703 12.240 1.00 15.34 C ATOM 0 H LEU A 98 -0.112 4.702 11.048 1.00 43.23 H new ATOM 0 HA LEU A 98 -2.474 3.651 12.499 1.00 43.25 H new ATOM 0 HB2 LEU A 98 -2.113 5.260 10.021 1.00 21.03 H new ATOM 0 HB3 LEU A 98 -3.270 3.948 9.904 1.00 21.03 H new ATOM 0 HG LEU A 98 -3.349 6.311 11.795 1.00 74.33 H new ATOM 0 HD11 LEU A 98 -5.491 6.757 10.664 1.00 35.02 H new ATOM 0 HD12 LEU A 98 -4.131 6.741 9.517 1.00 35.02 H new ATOM 0 HD13 LEU A 98 -5.228 5.343 9.616 1.00 35.02 H new ATOM 0 HD21 LEU A 98 -5.432 5.347 12.690 1.00 15.34 H new ATOM 0 HD22 LEU A 98 -5.166 3.880 11.719 1.00 15.34 H new ATOM 0 HD23 LEU A 98 -4.028 4.304 13.020 1.00 15.34 H new ATOM 1448 N GLU A 99 -2.724 1.670 10.695 1.00 74.21 N ATOM 1449 CA GLU A 99 -2.600 0.339 10.113 1.00 31.55 C ATOM 1450 C GLU A 99 -3.438 0.219 8.842 1.00 4.53 C ATOM 1451 O GLU A 99 -4.481 0.856 8.694 1.00 1.32 O ATOM 1452 CB GLU A 99 -3.033 -0.727 11.124 1.00 40.43 C ATOM 1453 CG GLU A 99 -2.012 -0.973 12.222 1.00 52.34 C ATOM 1454 CD GLU A 99 -1.859 0.214 13.153 1.00 40.33 C ATOM 1455 OE1 GLU A 99 -2.890 0.725 13.639 1.00 61.13 O ATOM 1456 OE2 GLU A 99 -0.708 0.632 13.395 1.00 12.25 O ATOM 0 H GLU A 99 -3.684 1.964 10.876 1.00 74.21 H new ATOM 0 HA GLU A 99 -1.553 0.181 9.854 1.00 31.55 H new ATOM 0 HB2 GLU A 99 -3.976 -0.424 11.578 1.00 40.43 H new ATOM 0 HB3 GLU A 99 -3.219 -1.662 10.596 1.00 40.43 H new ATOM 0 HG2 GLU A 99 -2.310 -1.848 12.800 1.00 52.34 H new ATOM 0 HG3 GLU A 99 -1.047 -1.203 11.771 1.00 52.34 H new ATOM 1463 N PRO A 100 -2.970 -0.616 7.903 1.00 51.41 N ATOM 1464 CA PRO A 100 -3.659 -0.838 6.629 1.00 53.23 C ATOM 1465 C PRO A 100 -4.965 -1.607 6.801 1.00 0.44 C ATOM 1466 O PRO A 100 -5.966 -1.306 6.150 1.00 65.40 O ATOM 1467 CB PRO A 100 -2.655 -1.665 5.822 1.00 51.34 C ATOM 1468 CG PRO A 100 -1.821 -2.353 6.846 1.00 51.33 C ATOM 1469 CD PRO A 100 -1.733 -1.407 8.012 1.00 72.44 C ATOM 0 HA PRO A 100 -3.942 0.100 6.151 1.00 53.23 H new ATOM 0 HB2 PRO A 100 -3.161 -2.383 5.177 1.00 51.34 H new ATOM 0 HB3 PRO A 100 -2.047 -1.030 5.177 1.00 51.34 H new ATOM 0 HG2 PRO A 100 -2.272 -3.300 7.145 1.00 51.33 H new ATOM 0 HG3 PRO A 100 -0.830 -2.581 6.453 1.00 51.33 H new ATOM 0 HD2 PRO A 100 -1.680 -1.942 8.960 1.00 72.44 H new ATOM 0 HD3 PRO A 100 -0.846 -0.776 7.952 1.00 72.44 H new ATOM 1477 N LEU A 101 -4.948 -2.600 7.685 1.00 62.24 N ATOM 1478 CA LEU A 101 -6.132 -3.413 7.944 1.00 2.54 C ATOM 1479 C LEU A 101 -7.018 -2.761 9.001 1.00 71.32 C ATOM 1480 O LEU A 101 -8.226 -2.622 8.813 1.00 73.44 O ATOM 1481 CB LEU A 101 -5.722 -4.815 8.399 1.00 12.31 C ATOM 1482 CG LEU A 101 -5.719 -5.896 7.318 1.00 31.45 C ATOM 1483 CD1 LEU A 101 -4.299 -6.357 7.029 1.00 31.33 C ATOM 1484 CD2 LEU A 101 -6.589 -7.072 7.738 1.00 2.12 C ATOM 0 H LEU A 101 -4.129 -2.861 8.234 1.00 62.24 H new ATOM 0 HA LEU A 101 -6.700 -3.491 7.017 1.00 2.54 H new ATOM 0 HB2 LEU A 101 -4.723 -4.758 8.830 1.00 12.31 H new ATOM 0 HB3 LEU A 101 -6.396 -5.128 9.196 1.00 12.31 H new ATOM 0 HG LEU A 101 -6.134 -5.471 6.404 1.00 31.45 H new ATOM 0 HD11 LEU A 101 -4.316 -7.126 6.257 1.00 31.33 H new ATOM 0 HD12 LEU A 101 -3.705 -5.511 6.684 1.00 31.33 H new ATOM 0 HD13 LEU A 101 -3.857 -6.765 7.938 1.00 31.33 H new ATOM 0 HD21 LEU A 101 -6.575 -7.832 6.957 1.00 2.12 H new ATOM 0 HD22 LEU A 101 -6.203 -7.497 8.665 1.00 2.12 H new ATOM 0 HD23 LEU A 101 -7.612 -6.730 7.894 1.00 2.12 H new ATOM 1496 N SER A 102 -6.409 -2.361 10.113 1.00 23.41 N ATOM 1497 CA SER A 102 -7.143 -1.726 11.201 1.00 23.13 C ATOM 1498 C SER A 102 -7.858 -0.470 10.713 1.00 65.44 C ATOM 1499 O SER A 102 -9.021 -0.238 11.040 1.00 32.32 O ATOM 1500 CB SER A 102 -6.192 -1.372 12.347 1.00 61.55 C ATOM 1501 OG SER A 102 -6.785 -1.647 13.605 1.00 61.44 O ATOM 0 H SER A 102 -5.409 -2.466 10.284 1.00 23.41 H new ATOM 0 HA SER A 102 -7.891 -2.432 11.563 1.00 23.13 H new ATOM 0 HB2 SER A 102 -5.267 -1.940 12.245 1.00 61.55 H new ATOM 0 HB3 SER A 102 -5.926 -0.317 12.290 1.00 61.55 H new ATOM 0 HG SER A 102 -6.157 -1.414 14.321 1.00 61.44 H new ATOM 1507 N ALA A 103 -7.153 0.338 9.928 1.00 64.35 N ATOM 1508 CA ALA A 103 -7.720 1.569 9.392 1.00 4.21 C ATOM 1509 C ALA A 103 -8.948 1.281 8.534 1.00 23.23 C ATOM 1510 O ALA A 103 -9.925 2.028 8.562 1.00 15.53 O ATOM 1511 CB ALA A 103 -6.674 2.323 8.584 1.00 54.54 C ATOM 0 H ALA A 103 -6.188 0.162 9.649 1.00 64.35 H new ATOM 0 HA ALA A 103 -8.034 2.191 10.231 1.00 4.21 H new ATOM 0 HB1 ALA A 103 -7.111 3.240 8.189 1.00 54.54 H new ATOM 0 HB2 ALA A 103 -5.828 2.570 9.225 1.00 54.54 H new ATOM 0 HB3 ALA A 103 -6.333 1.699 7.758 1.00 54.54 H new ATOM 1517 N LEU A 104 -8.889 0.193 7.773 1.00 12.35 N ATOM 1518 CA LEU A 104 -9.997 -0.194 6.907 1.00 21.31 C ATOM 1519 C LEU A 104 -11.141 -0.793 7.720 1.00 51.43 C ATOM 1520 O LEU A 104 -12.309 -0.663 7.355 1.00 13.30 O ATOM 1521 CB LEU A 104 -9.522 -1.199 5.856 1.00 22.11 C ATOM 1522 CG LEU A 104 -9.903 -2.659 6.103 1.00 2.41 C ATOM 1523 CD1 LEU A 104 -11.339 -2.915 5.674 1.00 32.32 C ATOM 1524 CD2 LEU A 104 -8.950 -3.591 5.368 1.00 12.54 C ATOM 0 H LEU A 104 -8.087 -0.436 7.738 1.00 12.35 H new ATOM 0 HA LEU A 104 -10.363 0.702 6.405 1.00 21.31 H new ATOM 0 HB2 LEU A 104 -9.923 -0.899 4.888 1.00 22.11 H new ATOM 0 HB3 LEU A 104 -8.436 -1.135 5.785 1.00 22.11 H new ATOM 0 HG LEU A 104 -9.823 -2.860 7.171 1.00 2.41 H new ATOM 0 HD11 LEU A 104 -11.593 -3.959 5.857 1.00 32.32 H new ATOM 0 HD12 LEU A 104 -12.009 -2.273 6.245 1.00 32.32 H new ATOM 0 HD13 LEU A 104 -11.446 -2.697 4.611 1.00 32.32 H new ATOM 0 HD21 LEU A 104 -9.236 -4.626 5.555 1.00 12.54 H new ATOM 0 HD22 LEU A 104 -8.997 -3.389 4.298 1.00 12.54 H new ATOM 0 HD23 LEU A 104 -7.933 -3.426 5.724 1.00 12.54 H new ATOM 1536 N MET A 105 -10.796 -1.448 8.824 1.00 63.34 N ATOM 1537 CA MET A 105 -11.794 -2.064 9.690 1.00 51.24 C ATOM 1538 C MET A 105 -12.400 -1.035 10.639 1.00 64.01 C ATOM 1539 O MET A 105 -13.520 -1.205 11.120 1.00 14.11 O ATOM 1540 CB MET A 105 -11.170 -3.209 10.490 1.00 41.22 C ATOM 1541 CG MET A 105 -11.068 -4.511 9.712 1.00 50.43 C ATOM 1542 SD MET A 105 -12.072 -5.827 10.426 1.00 23.25 S ATOM 1543 CE MET A 105 -13.700 -5.370 9.835 1.00 73.50 C ATOM 0 H MET A 105 -9.833 -1.566 9.140 1.00 63.34 H new ATOM 0 HA MET A 105 -12.589 -2.463 9.060 1.00 51.24 H new ATOM 0 HB2 MET A 105 -10.173 -2.912 10.817 1.00 41.22 H new ATOM 0 HB3 MET A 105 -11.763 -3.378 11.389 1.00 41.22 H new ATOM 0 HG2 MET A 105 -11.380 -4.340 8.682 1.00 50.43 H new ATOM 0 HG3 MET A 105 -10.026 -4.830 9.681 1.00 50.43 H new ATOM 0 HE1 MET A 105 -14.364 -6.232 9.894 1.00 73.50 H new ATOM 0 HE2 MET A 105 -14.097 -4.563 10.451 1.00 73.50 H new ATOM 0 HE3 MET A 105 -13.631 -5.036 8.800 1.00 73.50 H new ATOM 1553 N ARG A 106 -11.651 0.030 10.905 1.00 40.14 N ATOM 1554 CA ARG A 106 -12.114 1.085 11.797 1.00 0.32 C ATOM 1555 C ARG A 106 -13.135 1.979 11.099 1.00 14.35 C ATOM 1556 O ARG A 106 -13.961 2.620 11.749 1.00 11.55 O ATOM 1557 CB ARG A 106 -10.933 1.927 12.283 1.00 22.30 C ATOM 1558 CG ARG A 106 -10.196 1.317 13.465 1.00 62.04 C ATOM 1559 CD ARG A 106 -9.341 2.350 14.182 1.00 14.35 C ATOM 1560 NE ARG A 106 -8.732 1.810 15.394 1.00 31.22 N ATOM 1561 CZ ARG A 106 -7.952 2.518 16.203 1.00 2.34 C ATOM 1562 NH1 ARG A 106 -7.689 3.789 15.932 1.00 75.12 N ATOM 1563 NH2 ARG A 106 -7.434 1.956 17.288 1.00 24.23 N ATOM 0 H ARG A 106 -10.721 0.185 10.515 1.00 40.14 H new ATOM 0 HA ARG A 106 -12.594 0.615 12.655 1.00 0.32 H new ATOM 0 HB2 ARG A 106 -10.232 2.064 11.460 1.00 22.30 H new ATOM 0 HB3 ARG A 106 -11.294 2.917 12.562 1.00 22.30 H new ATOM 0 HG2 ARG A 106 -10.916 0.891 14.164 1.00 62.04 H new ATOM 0 HG3 ARG A 106 -9.565 0.498 13.119 1.00 62.04 H new ATOM 0 HD2 ARG A 106 -8.559 2.703 13.510 1.00 14.35 H new ATOM 0 HD3 ARG A 106 -9.955 3.214 14.438 1.00 14.35 H new ATOM 0 HE ARG A 106 -8.916 0.835 15.633 1.00 31.22 H new ATOM 0 HH11 ARG A 106 -8.086 4.226 15.100 1.00 75.12 H new ATOM 0 HH12 ARG A 106 -7.090 4.330 16.555 1.00 75.12 H new ATOM 0 HH21 ARG A 106 -7.635 0.979 17.502 1.00 24.23 H new ATOM 0 HH22 ARG A 106 -6.835 2.501 17.908 1.00 24.23 H new ATOM 1577 N GLY A 107 -13.073 2.017 9.772 1.00 52.21 N ATOM 1578 CA GLY A 107 -13.997 2.835 9.009 1.00 65.01 C ATOM 1579 C GLY A 107 -13.306 3.987 8.306 1.00 14.22 C ATOM 1580 O GLY A 107 -13.956 4.942 7.878 1.00 15.43 O ATOM 0 H GLY A 107 -12.399 1.496 9.211 1.00 52.21 H new ATOM 0 HA2 GLY A 107 -14.503 2.213 8.270 1.00 65.01 H new ATOM 0 HA3 GLY A 107 -14.765 3.228 9.675 1.00 65.01 H new ATOM 1584 N LEU A 108 -11.986 3.900 8.188 1.00 53.51 N ATOM 1585 CA LEU A 108 -11.206 4.946 7.534 1.00 31.22 C ATOM 1586 C LEU A 108 -11.076 4.673 6.039 1.00 60.12 C ATOM 1587 O LEU A 108 -11.408 5.522 5.211 1.00 43.34 O ATOM 1588 CB LEU A 108 -9.818 5.046 8.169 1.00 63.44 C ATOM 1589 CG LEU A 108 -9.770 4.973 9.695 1.00 53.23 C ATOM 1590 CD1 LEU A 108 -8.334 5.049 10.189 1.00 72.02 C ATOM 1591 CD2 LEU A 108 -10.606 6.088 10.308 1.00 32.43 C ATOM 0 H LEU A 108 -11.433 3.117 8.536 1.00 53.51 H new ATOM 0 HA LEU A 108 -11.729 5.893 7.667 1.00 31.22 H new ATOM 0 HB2 LEU A 108 -9.198 4.244 7.767 1.00 63.44 H new ATOM 0 HB3 LEU A 108 -9.364 5.986 7.856 1.00 63.44 H new ATOM 0 HG LEU A 108 -10.189 4.017 10.007 1.00 53.23 H new ATOM 0 HD11 LEU A 108 -8.320 4.996 11.278 1.00 72.02 H new ATOM 0 HD12 LEU A 108 -7.763 4.217 9.778 1.00 72.02 H new ATOM 0 HD13 LEU A 108 -7.888 5.990 9.866 1.00 72.02 H new ATOM 0 HD21 LEU A 108 -10.561 6.021 11.395 1.00 32.43 H new ATOM 0 HD22 LEU A 108 -10.216 7.054 9.987 1.00 32.43 H new ATOM 0 HD23 LEU A 108 -11.641 5.988 9.981 1.00 32.43 H new ATOM 1603 N LEU A 109 -10.594 3.482 5.700 1.00 13.10 N ATOM 1604 CA LEU A 109 -10.422 3.096 4.303 1.00 14.13 C ATOM 1605 C LEU A 109 -11.624 2.298 3.808 1.00 24.43 C ATOM 1606 O LEU A 109 -12.590 2.093 4.543 1.00 65.45 O ATOM 1607 CB LEU A 109 -9.144 2.272 4.136 1.00 51.42 C ATOM 1608 CG LEU A 109 -7.970 2.664 5.034 1.00 55.11 C ATOM 1609 CD1 LEU A 109 -7.019 1.490 5.212 1.00 55.52 C ATOM 1610 CD2 LEU A 109 -7.236 3.866 4.457 1.00 5.10 C ATOM 0 H LEU A 109 -10.316 2.767 6.372 1.00 13.10 H new ATOM 0 HA LEU A 109 -10.342 4.005 3.706 1.00 14.13 H new ATOM 0 HB2 LEU A 109 -9.384 1.225 4.322 1.00 51.42 H new ATOM 0 HB3 LEU A 109 -8.821 2.346 3.097 1.00 51.42 H new ATOM 0 HG LEU A 109 -8.362 2.939 6.013 1.00 55.11 H new ATOM 0 HD11 LEU A 109 -6.190 1.788 5.854 1.00 55.52 H new ATOM 0 HD12 LEU A 109 -7.552 0.657 5.670 1.00 55.52 H new ATOM 0 HD13 LEU A 109 -6.633 1.184 4.240 1.00 55.52 H new ATOM 0 HD21 LEU A 109 -6.404 4.131 5.109 1.00 5.10 H new ATOM 0 HD22 LEU A 109 -6.856 3.619 3.466 1.00 5.10 H new ATOM 0 HD23 LEU A 109 -7.922 4.710 4.383 1.00 5.10 H new ATOM 1622 N GLU A 110 -11.555 1.849 2.558 1.00 2.42 N ATOM 1623 CA GLU A 110 -12.637 1.072 1.966 1.00 54.11 C ATOM 1624 C GLU A 110 -12.135 0.258 0.776 1.00 10.33 C ATOM 1625 O GLU A 110 -11.518 0.798 -0.143 1.00 71.00 O ATOM 1626 CB GLU A 110 -13.775 1.995 1.523 1.00 4.30 C ATOM 1627 CG GLU A 110 -15.156 1.385 1.695 1.00 43.34 C ATOM 1628 CD GLU A 110 -16.053 2.216 2.592 1.00 60.43 C ATOM 1629 OE1 GLU A 110 -16.237 3.416 2.299 1.00 64.31 O ATOM 1630 OE2 GLU A 110 -16.570 1.665 3.586 1.00 15.14 O ATOM 0 H GLU A 110 -10.762 2.010 1.937 1.00 2.42 H new ATOM 0 HA GLU A 110 -13.011 0.383 2.723 1.00 54.11 H new ATOM 0 HB2 GLU A 110 -13.723 2.922 2.094 1.00 4.30 H new ATOM 0 HB3 GLU A 110 -13.631 2.258 0.475 1.00 4.30 H new ATOM 0 HG2 GLU A 110 -15.626 1.277 0.717 1.00 43.34 H new ATOM 0 HG3 GLU A 110 -15.057 0.383 2.114 1.00 43.34 H new ATOM 1637 N LEU A 111 -12.404 -1.042 0.802 1.00 32.42 N ATOM 1638 CA LEU A 111 -11.980 -1.932 -0.273 1.00 63.24 C ATOM 1639 C LEU A 111 -13.064 -2.052 -1.340 1.00 25.32 C ATOM 1640 O LEU A 111 -14.091 -2.697 -1.127 1.00 63.53 O ATOM 1641 CB LEU A 111 -11.642 -3.315 0.285 1.00 23.54 C ATOM 1642 CG LEU A 111 -10.987 -4.292 -0.691 1.00 71.21 C ATOM 1643 CD1 LEU A 111 -9.489 -4.042 -0.772 1.00 51.33 C ATOM 1644 CD2 LEU A 111 -11.267 -5.730 -0.276 1.00 52.41 C ATOM 0 H LEU A 111 -12.914 -1.504 1.555 1.00 32.42 H new ATOM 0 HA LEU A 111 -11.088 -1.506 -0.733 1.00 63.24 H new ATOM 0 HB2 LEU A 111 -10.978 -3.187 1.140 1.00 23.54 H new ATOM 0 HB3 LEU A 111 -12.560 -3.768 0.659 1.00 23.54 H new ATOM 0 HG LEU A 111 -11.416 -4.130 -1.680 1.00 71.21 H new ATOM 0 HD11 LEU A 111 -9.040 -4.747 -1.472 1.00 51.33 H new ATOM 0 HD12 LEU A 111 -9.308 -3.024 -1.116 1.00 51.33 H new ATOM 0 HD13 LEU A 111 -9.044 -4.176 0.214 1.00 51.33 H new ATOM 0 HD21 LEU A 111 -10.793 -6.411 -0.982 1.00 52.41 H new ATOM 0 HD22 LEU A 111 -10.866 -5.905 0.722 1.00 52.41 H new ATOM 0 HD23 LEU A 111 -12.343 -5.904 -0.270 1.00 52.41 H new ATOM 1656 N LYS A 112 -12.827 -1.429 -2.489 1.00 61.42 N ATOM 1657 CA LYS A 112 -13.780 -1.469 -3.592 1.00 65.04 C ATOM 1658 C LYS A 112 -13.755 -2.828 -4.284 1.00 51.04 C ATOM 1659 O LYS A 112 -14.798 -3.443 -4.507 1.00 51.34 O ATOM 1660 CB LYS A 112 -13.468 -0.364 -4.603 1.00 64.05 C ATOM 1661 CG LYS A 112 -14.235 0.923 -4.355 1.00 22.43 C ATOM 1662 CD LYS A 112 -15.199 1.225 -5.490 1.00 72.01 C ATOM 1663 CE LYS A 112 -14.481 1.839 -6.682 1.00 41.41 C ATOM 1664 NZ LYS A 112 -15.432 2.467 -7.639 1.00 55.42 N ATOM 0 H LYS A 112 -11.983 -0.890 -2.681 1.00 61.42 H new ATOM 0 HA LYS A 112 -14.777 -1.308 -3.183 1.00 65.04 H new ATOM 0 HB2 LYS A 112 -12.399 -0.151 -4.577 1.00 64.05 H new ATOM 0 HB3 LYS A 112 -13.697 -0.726 -5.606 1.00 64.05 H new ATOM 0 HG2 LYS A 112 -14.787 0.844 -3.419 1.00 22.43 H new ATOM 0 HG3 LYS A 112 -13.534 1.750 -4.242 1.00 22.43 H new ATOM 0 HD2 LYS A 112 -15.699 0.307 -5.798 1.00 72.01 H new ATOM 0 HD3 LYS A 112 -15.973 1.907 -5.139 1.00 72.01 H new ATOM 0 HE2 LYS A 112 -13.771 2.588 -6.332 1.00 41.41 H new ATOM 0 HE3 LYS A 112 -13.905 1.069 -7.195 1.00 41.41 H new ATOM 0 HZ1 LYS A 112 -14.904 2.874 -8.437 1.00 55.42 H new ATOM 0 HZ2 LYS A 112 -16.094 1.747 -7.993 1.00 55.42 H new ATOM 0 HZ3 LYS A 112 -15.964 3.219 -7.157 1.00 55.42 H new ATOM 1678 N LYS A 113 -12.557 -3.294 -4.622 1.00 3.42 N ATOM 1679 CA LYS A 113 -12.395 -4.582 -5.286 1.00 4.43 C ATOM 1680 C LYS A 113 -12.242 -5.705 -4.266 1.00 14.34 C ATOM 1681 O LYS A 113 -12.435 -5.499 -3.068 1.00 14.41 O ATOM 1682 CB LYS A 113 -11.177 -4.551 -6.212 1.00 53.05 C ATOM 1683 CG LYS A 113 -11.528 -4.689 -7.683 1.00 53.24 C ATOM 1684 CD LYS A 113 -11.568 -3.338 -8.377 1.00 54.24 C ATOM 1685 CE LYS A 113 -12.995 -2.909 -8.682 1.00 51.11 C ATOM 1686 NZ LYS A 113 -13.037 -1.686 -9.530 1.00 53.21 N ATOM 0 H LYS A 113 -11.683 -2.798 -4.447 1.00 3.42 H new ATOM 0 HA LYS A 113 -13.290 -4.773 -5.878 1.00 4.43 H new ATOM 0 HB2 LYS A 113 -10.640 -3.614 -6.061 1.00 53.05 H new ATOM 0 HB3 LYS A 113 -10.498 -5.356 -5.932 1.00 53.05 H new ATOM 0 HG2 LYS A 113 -10.795 -5.329 -8.174 1.00 53.24 H new ATOM 0 HG3 LYS A 113 -12.497 -5.179 -7.782 1.00 53.24 H new ATOM 0 HD2 LYS A 113 -11.089 -2.589 -7.746 1.00 54.24 H new ATOM 0 HD3 LYS A 113 -10.996 -3.387 -9.304 1.00 54.24 H new ATOM 0 HE2 LYS A 113 -13.518 -3.720 -9.189 1.00 51.11 H new ATOM 0 HE3 LYS A 113 -13.525 -2.722 -7.748 1.00 51.11 H new ATOM 0 HZ1 LYS A 113 -14.027 -1.426 -9.716 1.00 53.21 H new ATOM 0 HZ2 LYS A 113 -12.560 -0.905 -9.036 1.00 53.21 H new ATOM 0 HZ3 LYS A 113 -12.553 -1.872 -10.432 1.00 53.21 H new ATOM 1700 N GLY A 114 -11.893 -6.893 -4.748 1.00 62.15 N ATOM 1701 CA GLY A 114 -11.719 -8.031 -3.865 1.00 3.14 C ATOM 1702 C GLY A 114 -12.686 -8.011 -2.697 1.00 65.35 C ATOM 1703 O GLY A 114 -13.791 -7.477 -2.804 1.00 63.14 O ATOM 0 H GLY A 114 -11.727 -7.088 -5.735 1.00 62.15 H new ATOM 0 HA2 GLY A 114 -11.858 -8.952 -4.432 1.00 3.14 H new ATOM 0 HA3 GLY A 114 -10.697 -8.041 -3.487 1.00 3.14 H new ATOM 1707 N THR A 115 -12.272 -8.597 -1.578 1.00 21.52 N ATOM 1708 CA THR A 115 -13.111 -8.648 -0.387 1.00 22.21 C ATOM 1709 C THR A 115 -12.264 -8.694 0.880 1.00 21.04 C ATOM 1710 O THR A 115 -11.092 -9.068 0.840 1.00 24.24 O ATOM 1711 CB THR A 115 -14.046 -9.871 -0.410 1.00 73.52 C ATOM 1712 OG1 THR A 115 -14.881 -9.871 0.754 1.00 41.02 O ATOM 1713 CG2 THR A 115 -13.246 -11.164 -0.467 1.00 15.24 C ATOM 0 H THR A 115 -11.361 -9.043 -1.472 1.00 21.52 H new ATOM 0 HA THR A 115 -13.714 -7.740 -0.386 1.00 22.21 H new ATOM 0 HB THR A 115 -14.668 -9.808 -1.303 1.00 73.52 H new ATOM 0 HG1 THR A 115 -15.474 -10.651 0.731 1.00 41.02 H new ATOM 0 HG21 THR A 115 -13.928 -12.014 -0.482 1.00 15.24 H new ATOM 0 HG22 THR A 115 -12.634 -11.174 -1.369 1.00 15.24 H new ATOM 0 HG23 THR A 115 -12.602 -11.232 0.409 1.00 15.24 H new ATOM 1721 N ILE A 116 -12.865 -8.312 2.002 1.00 20.13 N ATOM 1722 CA ILE A 116 -12.165 -8.312 3.281 1.00 64.52 C ATOM 1723 C ILE A 116 -12.075 -9.721 3.858 1.00 14.00 C ATOM 1724 O ILE A 116 -11.144 -10.042 4.596 1.00 13.35 O ATOM 1725 CB ILE A 116 -12.860 -7.394 4.303 1.00 60.40 C ATOM 1726 CG1 ILE A 116 -11.914 -7.078 5.464 1.00 51.23 C ATOM 1727 CG2 ILE A 116 -14.137 -8.043 4.815 1.00 34.42 C ATOM 1728 CD1 ILE A 116 -12.425 -5.987 6.379 1.00 21.32 C ATOM 0 H ILE A 116 -13.834 -7.999 2.051 1.00 20.13 H new ATOM 0 HA ILE A 116 -11.160 -7.935 3.091 1.00 64.52 H new ATOM 0 HB ILE A 116 -13.123 -6.459 3.809 1.00 60.40 H new ATOM 0 HG12 ILE A 116 -11.752 -7.984 6.047 1.00 51.23 H new ATOM 0 HG13 ILE A 116 -10.945 -6.780 5.062 1.00 51.23 H new ATOM 0 HG21 ILE A 116 -14.617 -7.382 5.537 1.00 34.42 H new ATOM 0 HG22 ILE A 116 -14.814 -8.222 3.980 1.00 34.42 H new ATOM 0 HG23 ILE A 116 -13.896 -8.991 5.296 1.00 34.42 H new ATOM 0 HD11 ILE A 116 -11.704 -5.816 7.179 1.00 21.32 H new ATOM 0 HD12 ILE A 116 -12.560 -5.068 5.809 1.00 21.32 H new ATOM 0 HD13 ILE A 116 -13.379 -6.290 6.809 1.00 21.32 H new ATOM 1740 N ALA A 117 -13.049 -10.559 3.515 1.00 42.12 N ATOM 1741 CA ALA A 117 -13.078 -11.935 3.996 1.00 51.51 C ATOM 1742 C ALA A 117 -11.796 -12.672 3.627 1.00 52.21 C ATOM 1743 O ALA A 117 -11.525 -13.760 4.136 1.00 15.51 O ATOM 1744 CB ALA A 117 -14.289 -12.664 3.435 1.00 13.23 C ATOM 0 H ALA A 117 -13.828 -10.309 2.906 1.00 42.12 H new ATOM 0 HA ALA A 117 -13.153 -11.913 5.083 1.00 51.51 H new ATOM 0 HB1 ALA A 117 -14.298 -13.690 3.802 1.00 13.23 H new ATOM 0 HB2 ALA A 117 -15.199 -12.156 3.754 1.00 13.23 H new ATOM 0 HB3 ALA A 117 -14.239 -12.669 2.346 1.00 13.23 H new ATOM 1750 N ALA A 118 -11.010 -12.075 2.737 1.00 11.40 N ATOM 1751 CA ALA A 118 -9.755 -12.675 2.300 1.00 14.34 C ATOM 1752 C ALA A 118 -8.594 -12.219 3.178 1.00 3.10 C ATOM 1753 O ALA A 118 -7.571 -12.899 3.275 1.00 54.34 O ATOM 1754 CB ALA A 118 -9.485 -12.332 0.844 1.00 65.15 C ATOM 0 H ALA A 118 -11.220 -11.176 2.304 1.00 11.40 H new ATOM 0 HA ALA A 118 -9.845 -13.757 2.395 1.00 14.34 H new ATOM 0 HB1 ALA A 118 -8.545 -12.787 0.531 1.00 65.15 H new ATOM 0 HB2 ALA A 118 -10.296 -12.713 0.224 1.00 65.15 H new ATOM 0 HB3 ALA A 118 -9.420 -11.250 0.731 1.00 65.15 H new ATOM 1760 N LEU A 119 -8.758 -11.065 3.815 1.00 1.24 N ATOM 1761 CA LEU A 119 -7.722 -10.517 4.684 1.00 11.15 C ATOM 1762 C LEU A 119 -7.804 -11.127 6.080 1.00 22.33 C ATOM 1763 O LEU A 119 -6.949 -10.877 6.929 1.00 42.43 O ATOM 1764 CB LEU A 119 -7.854 -8.996 4.772 1.00 50.31 C ATOM 1765 CG LEU A 119 -8.285 -8.285 3.489 1.00 43.20 C ATOM 1766 CD1 LEU A 119 -8.352 -6.781 3.709 1.00 44.22 C ATOM 1767 CD2 LEU A 119 -7.333 -8.617 2.350 1.00 62.34 C ATOM 0 H LEU A 119 -9.598 -10.491 3.746 1.00 1.24 H new ATOM 0 HA LEU A 119 -6.752 -10.767 4.254 1.00 11.15 H new ATOM 0 HB2 LEU A 119 -8.574 -8.758 5.555 1.00 50.31 H new ATOM 0 HB3 LEU A 119 -6.894 -8.586 5.086 1.00 50.31 H new ATOM 0 HG LEU A 119 -9.280 -8.637 3.218 1.00 43.20 H new ATOM 0 HD11 LEU A 119 -8.660 -6.292 2.785 1.00 44.22 H new ATOM 0 HD12 LEU A 119 -9.074 -6.560 4.495 1.00 44.22 H new ATOM 0 HD13 LEU A 119 -7.370 -6.412 4.004 1.00 44.22 H new ATOM 0 HD21 LEU A 119 -7.655 -8.102 1.445 1.00 62.34 H new ATOM 0 HD22 LEU A 119 -6.325 -8.294 2.612 1.00 62.34 H new ATOM 0 HD23 LEU A 119 -7.335 -9.693 2.176 1.00 62.34 H new ATOM 1779 N ALA A 120 -8.836 -11.932 6.309 1.00 70.34 N ATOM 1780 CA ALA A 120 -9.027 -12.582 7.599 1.00 33.14 C ATOM 1781 C ALA A 120 -7.793 -13.383 7.999 1.00 43.45 C ATOM 1782 O ALA A 120 -7.160 -13.124 9.023 1.00 14.30 O ATOM 1783 CB ALA A 120 -10.253 -13.483 7.561 1.00 61.42 C ATOM 0 H ALA A 120 -9.553 -12.150 5.617 1.00 70.34 H new ATOM 0 HA ALA A 120 -9.183 -11.806 8.348 1.00 33.14 H new ATOM 0 HB1 ALA A 120 -10.383 -13.962 8.532 1.00 61.42 H new ATOM 0 HB2 ALA A 120 -11.136 -12.887 7.329 1.00 61.42 H new ATOM 0 HB3 ALA A 120 -10.120 -14.247 6.795 1.00 61.42 H new ATOM 1789 N PRO A 121 -7.439 -14.379 7.174 1.00 74.40 N ATOM 1790 CA PRO A 121 -6.278 -15.238 7.421 1.00 62.13 C ATOM 1791 C PRO A 121 -4.958 -14.494 7.244 1.00 12.12 C ATOM 1792 O PRO A 121 -3.916 -14.935 7.728 1.00 3.55 O ATOM 1793 CB PRO A 121 -6.417 -16.337 6.364 1.00 14.12 C ATOM 1794 CG PRO A 121 -7.208 -15.709 5.268 1.00 21.01 C ATOM 1795 CD PRO A 121 -8.148 -14.744 5.935 1.00 2.32 C ATOM 0 HA PRO A 121 -6.259 -15.612 8.445 1.00 62.13 H new ATOM 0 HB2 PRO A 121 -5.442 -16.670 6.008 1.00 14.12 H new ATOM 0 HB3 PRO A 121 -6.925 -17.213 6.768 1.00 14.12 H new ATOM 0 HG2 PRO A 121 -6.556 -15.194 4.562 1.00 21.01 H new ATOM 0 HG3 PRO A 121 -7.758 -16.462 4.703 1.00 21.01 H new ATOM 0 HD2 PRO A 121 -8.339 -13.872 5.310 1.00 2.32 H new ATOM 0 HD3 PRO A 121 -9.114 -15.204 6.145 1.00 2.32 H new ATOM 1803 N TYR A 122 -5.011 -13.363 6.549 1.00 41.43 N ATOM 1804 CA TYR A 122 -3.820 -12.558 6.307 1.00 3.10 C ATOM 1805 C TYR A 122 -3.934 -11.198 6.990 1.00 64.52 C ATOM 1806 O TYR A 122 -3.844 -10.156 6.341 1.00 72.24 O ATOM 1807 CB TYR A 122 -3.601 -12.370 4.805 1.00 73.32 C ATOM 1808 CG TYR A 122 -3.990 -13.578 3.981 1.00 2.12 C ATOM 1809 CD1 TYR A 122 -3.392 -14.814 4.199 1.00 4.34 C ATOM 1810 CD2 TYR A 122 -4.952 -13.484 2.985 1.00 34.13 C ATOM 1811 CE1 TYR A 122 -3.743 -15.919 3.450 1.00 64.32 C ATOM 1812 CE2 TYR A 122 -5.311 -14.585 2.231 1.00 43.42 C ATOM 1813 CZ TYR A 122 -4.702 -15.799 2.467 1.00 74.35 C ATOM 1814 OH TYR A 122 -5.055 -16.898 1.716 1.00 15.41 O ATOM 0 H TYR A 122 -5.866 -12.983 6.143 1.00 41.43 H new ATOM 0 HA TYR A 122 -2.964 -13.086 6.728 1.00 3.10 H new ATOM 0 HB2 TYR A 122 -4.178 -11.509 4.467 1.00 73.32 H new ATOM 0 HB3 TYR A 122 -2.551 -12.141 4.625 1.00 73.32 H new ATOM 0 HD1 TYR A 122 -2.640 -14.911 4.968 1.00 4.34 H new ATOM 0 HD2 TYR A 122 -5.428 -12.533 2.796 1.00 34.13 H new ATOM 0 HE1 TYR A 122 -3.269 -16.872 3.633 1.00 64.32 H new ATOM 0 HE2 TYR A 122 -6.064 -14.495 1.462 1.00 43.42 H new ATOM 0 HH TYR A 122 -5.745 -16.644 1.068 1.00 15.41 H new ATOM 1824 N ALA A 123 -4.129 -11.218 8.304 1.00 15.23 N ATOM 1825 CA ALA A 123 -4.253 -9.988 9.076 1.00 3.24 C ATOM 1826 C ALA A 123 -2.910 -9.575 9.669 1.00 42.33 C ATOM 1827 O ALA A 123 -2.583 -8.390 9.721 1.00 13.14 O ATOM 1828 CB ALA A 123 -5.288 -10.157 10.178 1.00 41.02 C ATOM 0 H ALA A 123 -4.205 -12.072 8.856 1.00 15.23 H new ATOM 0 HA ALA A 123 -4.583 -9.198 8.402 1.00 3.24 H new ATOM 0 HB1 ALA A 123 -5.369 -9.230 10.746 1.00 41.02 H new ATOM 0 HB2 ALA A 123 -6.255 -10.398 9.735 1.00 41.02 H new ATOM 0 HB3 ALA A 123 -4.983 -10.965 10.843 1.00 41.02 H new ATOM 1834 N GLN A 124 -2.136 -10.561 10.114 1.00 15.22 N ATOM 1835 CA GLN A 124 -0.830 -10.298 10.704 1.00 62.24 C ATOM 1836 C GLN A 124 0.189 -9.928 9.630 1.00 11.13 C ATOM 1837 O GLN A 124 1.122 -9.166 9.882 1.00 15.21 O ATOM 1838 CB GLN A 124 -0.344 -11.520 11.484 1.00 33.53 C ATOM 1839 CG GLN A 124 -0.952 -11.637 12.873 1.00 22.00 C ATOM 1840 CD GLN A 124 -2.191 -12.509 12.897 1.00 52.05 C ATOM 1841 OE1 GLN A 124 -3.044 -12.419 12.013 1.00 63.21 O ATOM 1842 NE2 GLN A 124 -2.299 -13.359 13.911 1.00 24.22 N ATOM 0 H GLN A 124 -2.391 -11.548 10.077 1.00 15.22 H new ATOM 0 HA GLN A 124 -0.932 -9.456 11.388 1.00 62.24 H new ATOM 0 HB2 GLN A 124 -0.580 -12.420 10.916 1.00 33.53 H new ATOM 0 HB3 GLN A 124 0.741 -11.475 11.574 1.00 33.53 H new ATOM 0 HG2 GLN A 124 -0.210 -12.049 13.557 1.00 22.00 H new ATOM 0 HG3 GLN A 124 -1.206 -10.642 13.239 1.00 22.00 H new ATOM 0 HE21 GLN A 124 -1.568 -13.401 14.622 1.00 24.22 H new ATOM 0 HE22 GLN A 124 -3.112 -13.971 13.979 1.00 24.22 H new ATOM 1851 N ALA A 125 0.002 -10.473 8.432 1.00 30.44 N ATOM 1852 CA ALA A 125 0.903 -10.200 7.320 1.00 3.43 C ATOM 1853 C ALA A 125 1.049 -8.699 7.088 1.00 3.11 C ATOM 1854 O ALA A 125 1.961 -8.255 6.391 1.00 52.14 O ATOM 1855 CB ALA A 125 0.405 -10.885 6.057 1.00 65.12 C ATOM 0 H ALA A 125 -0.766 -11.106 8.207 1.00 30.44 H new ATOM 0 HA ALA A 125 1.885 -10.600 7.573 1.00 3.43 H new ATOM 0 HB1 ALA A 125 1.088 -10.672 5.234 1.00 65.12 H new ATOM 0 HB2 ALA A 125 0.359 -11.962 6.221 1.00 65.12 H new ATOM 0 HB3 ALA A 125 -0.589 -10.513 5.809 1.00 65.12 H new ATOM 1861 N ALA A 126 0.144 -7.924 7.676 1.00 13.41 N ATOM 1862 CA ALA A 126 0.173 -6.474 7.535 1.00 51.23 C ATOM 1863 C ALA A 126 1.396 -5.879 8.224 1.00 55.53 C ATOM 1864 O ALA A 126 2.104 -5.054 7.647 1.00 62.11 O ATOM 1865 CB ALA A 126 -1.102 -5.863 8.097 1.00 1.04 C ATOM 0 H ALA A 126 -0.618 -8.276 8.255 1.00 13.41 H new ATOM 0 HA ALA A 126 0.238 -6.239 6.473 1.00 51.23 H new ATOM 0 HB1 ALA A 126 -1.066 -4.779 7.985 1.00 1.04 H new ATOM 0 HB2 ALA A 126 -1.963 -6.256 7.556 1.00 1.04 H new ATOM 0 HB3 ALA A 126 -1.192 -6.116 9.154 1.00 1.04 H new ATOM 1871 N GLN A 127 1.635 -6.302 9.462 1.00 44.45 N ATOM 1872 CA GLN A 127 2.772 -5.808 10.229 1.00 63.21 C ATOM 1873 C GLN A 127 4.039 -5.794 9.379 1.00 52.31 C ATOM 1874 O GLN A 127 4.897 -4.928 9.543 1.00 54.35 O ATOM 1875 CB GLN A 127 2.989 -6.672 11.472 1.00 13.12 C ATOM 1876 CG GLN A 127 2.161 -6.233 12.670 1.00 43.00 C ATOM 1877 CD GLN A 127 2.881 -5.221 13.539 1.00 44.03 C ATOM 1878 OE1 GLN A 127 3.942 -5.507 14.095 1.00 52.00 O ATOM 1879 NE2 GLN A 127 2.309 -4.029 13.658 1.00 1.04 N ATOM 0 H GLN A 127 1.058 -6.984 9.954 1.00 44.45 H new ATOM 0 HA GLN A 127 2.552 -4.786 10.538 1.00 63.21 H new ATOM 0 HB2 GLN A 127 2.745 -7.707 11.232 1.00 13.12 H new ATOM 0 HB3 GLN A 127 4.045 -6.647 11.742 1.00 13.12 H new ATOM 0 HG2 GLN A 127 1.223 -5.803 12.320 1.00 43.00 H new ATOM 0 HG3 GLN A 127 1.907 -7.106 13.271 1.00 43.00 H new ATOM 0 HE21 GLN A 127 1.429 -3.835 13.179 1.00 1.04 H new ATOM 0 HE22 GLN A 127 2.749 -3.307 14.228 1.00 1.04 H new ATOM 1888 N GLU A 128 4.147 -6.760 8.472 1.00 25.51 N ATOM 1889 CA GLU A 128 5.310 -6.859 7.598 1.00 41.12 C ATOM 1890 C GLU A 128 5.210 -5.863 6.445 1.00 24.34 C ATOM 1891 O GLU A 128 6.171 -5.157 6.135 1.00 55.13 O ATOM 1892 CB GLU A 128 5.444 -8.281 7.048 1.00 1.52 C ATOM 1893 CG GLU A 128 5.582 -9.340 8.129 1.00 51.32 C ATOM 1894 CD GLU A 128 6.983 -9.408 8.704 1.00 0.23 C ATOM 1895 OE1 GLU A 128 7.939 -9.061 7.980 1.00 44.15 O ATOM 1896 OE2 GLU A 128 7.124 -9.808 9.879 1.00 11.11 O ATOM 0 H GLU A 128 3.444 -7.484 8.323 1.00 25.51 H new ATOM 0 HA GLU A 128 6.196 -6.620 8.186 1.00 41.12 H new ATOM 0 HB2 GLU A 128 4.571 -8.509 6.437 1.00 1.52 H new ATOM 0 HB3 GLU A 128 6.313 -8.328 6.392 1.00 1.52 H new ATOM 0 HG2 GLU A 128 4.874 -9.130 8.931 1.00 51.32 H new ATOM 0 HG3 GLU A 128 5.315 -10.313 7.716 1.00 51.32 H new ATOM 1903 N LEU A 129 4.043 -5.814 5.814 1.00 11.24 N ATOM 1904 CA LEU A 129 3.815 -4.906 4.695 1.00 4.02 C ATOM 1905 C LEU A 129 4.193 -3.477 5.069 1.00 51.14 C ATOM 1906 O LEU A 129 5.006 -2.842 4.397 1.00 62.54 O ATOM 1907 CB LEU A 129 2.351 -4.961 4.258 1.00 13.12 C ATOM 1908 CG LEU A 129 1.994 -6.043 3.238 1.00 64.04 C ATOM 1909 CD1 LEU A 129 0.707 -6.747 3.634 1.00 32.33 C ATOM 1910 CD2 LEU A 129 1.869 -5.442 1.845 1.00 60.42 C ATOM 0 H LEU A 129 3.239 -6.392 6.058 1.00 11.24 H new ATOM 0 HA LEU A 129 4.447 -5.224 3.866 1.00 4.02 H new ATOM 0 HB2 LEU A 129 1.734 -5.108 5.144 1.00 13.12 H new ATOM 0 HB3 LEU A 129 2.081 -3.992 3.839 1.00 13.12 H new ATOM 0 HG LEU A 129 2.797 -6.780 3.224 1.00 64.04 H new ATOM 0 HD11 LEU A 129 0.470 -7.513 2.896 1.00 32.33 H new ATOM 0 HD12 LEU A 129 0.832 -7.212 4.612 1.00 32.33 H new ATOM 0 HD13 LEU A 129 -0.106 -6.022 3.678 1.00 32.33 H new ATOM 0 HD21 LEU A 129 1.615 -6.226 1.132 1.00 60.42 H new ATOM 0 HD22 LEU A 129 1.086 -4.684 1.845 1.00 60.42 H new ATOM 0 HD23 LEU A 129 2.817 -4.985 1.559 1.00 60.42 H new ATOM 1922 N VAL A 130 3.599 -2.975 6.147 1.00 62.00 N ATOM 1923 CA VAL A 130 3.876 -1.621 6.612 1.00 23.03 C ATOM 1924 C VAL A 130 5.344 -1.459 6.988 1.00 3.15 C ATOM 1925 O VAL A 130 5.930 -0.392 6.805 1.00 23.01 O ATOM 1926 CB VAL A 130 3.002 -1.256 7.827 1.00 51.45 C ATOM 1927 CG1 VAL A 130 3.370 -2.113 9.028 1.00 64.11 C ATOM 1928 CG2 VAL A 130 3.139 0.223 8.155 1.00 42.52 C ATOM 0 H VAL A 130 2.923 -3.486 6.715 1.00 62.00 H new ATOM 0 HA VAL A 130 3.639 -0.948 5.788 1.00 23.03 H new ATOM 0 HB VAL A 130 1.960 -1.455 7.576 1.00 51.45 H new ATOM 0 HG11 VAL A 130 2.742 -1.840 9.876 1.00 64.11 H new ATOM 0 HG12 VAL A 130 3.216 -3.164 8.786 1.00 64.11 H new ATOM 0 HG13 VAL A 130 4.417 -1.950 9.285 1.00 64.11 H new ATOM 0 HG21 VAL A 130 2.515 0.464 9.016 1.00 42.52 H new ATOM 0 HG22 VAL A 130 4.180 0.449 8.386 1.00 42.52 H new ATOM 0 HG23 VAL A 130 2.820 0.817 7.298 1.00 42.52 H new ATOM 1938 N LYS A 131 5.934 -2.525 7.517 1.00 23.41 N ATOM 1939 CA LYS A 131 7.336 -2.504 7.920 1.00 71.12 C ATOM 1940 C LYS A 131 8.229 -2.086 6.756 1.00 24.00 C ATOM 1941 O LYS A 131 8.863 -1.031 6.794 1.00 61.22 O ATOM 1942 CB LYS A 131 7.761 -3.881 8.435 1.00 50.22 C ATOM 1943 CG LYS A 131 8.270 -3.865 9.866 1.00 42.33 C ATOM 1944 CD LYS A 131 8.672 -5.254 10.331 1.00 55.43 C ATOM 1945 CE LYS A 131 10.091 -5.271 10.876 1.00 62.02 C ATOM 1946 NZ LYS A 131 10.168 -4.683 12.243 1.00 74.23 N ATOM 0 H LYS A 131 5.463 -3.416 7.677 1.00 23.41 H new ATOM 0 HA LYS A 131 7.448 -1.774 8.722 1.00 71.12 H new ATOM 0 HB2 LYS A 131 6.913 -4.562 8.368 1.00 50.22 H new ATOM 0 HB3 LYS A 131 8.541 -4.278 7.785 1.00 50.22 H new ATOM 0 HG2 LYS A 131 9.125 -3.194 9.941 1.00 42.33 H new ATOM 0 HG3 LYS A 131 7.496 -3.470 10.524 1.00 42.33 H new ATOM 0 HD2 LYS A 131 7.981 -5.595 11.102 1.00 55.43 H new ATOM 0 HD3 LYS A 131 8.592 -5.954 9.500 1.00 55.43 H new ATOM 0 HE2 LYS A 131 10.458 -6.297 10.901 1.00 62.02 H new ATOM 0 HE3 LYS A 131 10.745 -4.715 10.204 1.00 62.02 H new ATOM 0 HZ1 LYS A 131 11.152 -4.713 12.579 1.00 74.23 H new ATOM 0 HZ2 LYS A 131 9.842 -3.696 12.215 1.00 74.23 H new ATOM 0 HZ3 LYS A 131 9.564 -5.229 12.890 1.00 74.23 H new ATOM 1960 N VAL A 132 8.276 -2.920 5.722 1.00 74.43 N ATOM 1961 CA VAL A 132 9.089 -2.636 4.546 1.00 61.11 C ATOM 1962 C VAL A 132 8.702 -1.302 3.920 1.00 44.42 C ATOM 1963 O VAL A 132 9.565 -0.504 3.553 1.00 55.24 O ATOM 1964 CB VAL A 132 8.952 -3.747 3.488 1.00 44.34 C ATOM 1965 CG1 VAL A 132 9.870 -3.473 2.306 1.00 62.35 C ATOM 1966 CG2 VAL A 132 9.249 -5.107 4.100 1.00 2.34 C ATOM 0 H VAL A 132 7.760 -3.799 5.675 1.00 74.43 H new ATOM 0 HA VAL A 132 10.125 -2.589 4.881 1.00 61.11 H new ATOM 0 HB VAL A 132 7.924 -3.755 3.126 1.00 44.34 H new ATOM 0 HG11 VAL A 132 9.760 -4.268 1.568 1.00 62.35 H new ATOM 0 HG12 VAL A 132 9.604 -2.518 1.853 1.00 62.35 H new ATOM 0 HG13 VAL A 132 10.904 -3.437 2.649 1.00 62.35 H new ATOM 0 HG21 VAL A 132 9.147 -5.879 3.337 1.00 2.34 H new ATOM 0 HG22 VAL A 132 10.266 -5.116 4.491 1.00 2.34 H new ATOM 0 HG23 VAL A 132 8.547 -5.302 4.910 1.00 2.34 H new ATOM 1976 N ALA A 133 7.401 -1.064 3.801 1.00 75.12 N ATOM 1977 CA ALA A 133 6.898 0.175 3.221 1.00 22.14 C ATOM 1978 C ALA A 133 7.614 1.386 3.811 1.00 53.20 C ATOM 1979 O ALA A 133 7.775 2.409 3.145 1.00 12.04 O ATOM 1980 CB ALA A 133 5.397 0.290 3.437 1.00 21.23 C ATOM 0 H ALA A 133 6.674 -1.714 4.099 1.00 75.12 H new ATOM 0 HA ALA A 133 7.097 0.153 2.150 1.00 22.14 H new ATOM 0 HB1 ALA A 133 5.037 1.220 2.998 1.00 21.23 H new ATOM 0 HB2 ALA A 133 4.895 -0.553 2.962 1.00 21.23 H new ATOM 0 HB3 ALA A 133 5.182 0.285 4.506 1.00 21.23 H new ATOM 1986 N ARG A 134 8.041 1.263 5.064 1.00 73.41 N ATOM 1987 CA ARG A 134 8.737 2.348 5.744 1.00 54.11 C ATOM 1988 C ARG A 134 10.204 2.398 5.328 1.00 35.42 C ATOM 1989 O ARG A 134 10.782 3.474 5.187 1.00 40.12 O ATOM 1990 CB ARG A 134 8.630 2.180 7.261 1.00 72.21 C ATOM 1991 CG ARG A 134 7.247 2.483 7.812 1.00 12.51 C ATOM 1992 CD ARG A 134 7.133 2.094 9.277 1.00 75.43 C ATOM 1993 NE ARG A 134 7.661 3.129 10.162 1.00 62.33 N ATOM 1994 CZ ARG A 134 8.947 3.238 10.479 1.00 73.21 C ATOM 1995 NH1 ARG A 134 9.829 2.380 9.987 1.00 64.23 N ATOM 1996 NH2 ARG A 134 9.351 4.207 11.291 1.00 55.04 N ATOM 0 H ARG A 134 7.917 0.422 5.628 1.00 73.41 H new ATOM 0 HA ARG A 134 8.264 3.287 5.456 1.00 54.11 H new ATOM 0 HB2 ARG A 134 8.901 1.158 7.525 1.00 72.21 H new ATOM 0 HB3 ARG A 134 9.355 2.836 7.743 1.00 72.21 H new ATOM 0 HG2 ARG A 134 7.034 3.546 7.699 1.00 12.51 H new ATOM 0 HG3 ARG A 134 6.497 1.945 7.232 1.00 12.51 H new ATOM 0 HD2 ARG A 134 6.087 1.907 9.522 1.00 75.43 H new ATOM 0 HD3 ARG A 134 7.672 1.162 9.447 1.00 75.43 H new ATOM 0 HE ARG A 134 7.007 3.805 10.558 1.00 62.33 H new ATOM 0 HH11 ARG A 134 9.521 1.634 9.363 1.00 64.23 H new ATOM 0 HH12 ARG A 134 10.815 2.466 10.232 1.00 64.23 H new ATOM 0 HH21 ARG A 134 8.674 4.868 11.672 1.00 55.04 H new ATOM 0 HH22 ARG A 134 10.338 4.290 11.534 1.00 55.04 H new ATOM 2010 N GLU A 135 10.799 1.224 5.136 1.00 2.23 N ATOM 2011 CA GLU A 135 12.199 1.135 4.739 1.00 62.22 C ATOM 2012 C GLU A 135 12.421 1.786 3.377 1.00 54.51 C ATOM 2013 O GLU A 135 13.547 2.126 3.015 1.00 41.43 O ATOM 2014 CB GLU A 135 12.647 -0.328 4.695 1.00 51.22 C ATOM 2015 CG GLU A 135 12.979 -0.903 6.061 1.00 3.02 C ATOM 2016 CD GLU A 135 14.471 -1.073 6.277 1.00 55.05 C ATOM 2017 OE1 GLU A 135 15.174 -0.046 6.381 1.00 33.22 O ATOM 2018 OE2 GLU A 135 14.933 -2.231 6.341 1.00 43.55 O ATOM 0 H GLU A 135 10.334 0.323 5.249 1.00 2.23 H new ATOM 0 HA GLU A 135 12.795 1.669 5.479 1.00 62.22 H new ATOM 0 HB2 GLU A 135 11.859 -0.927 4.240 1.00 51.22 H new ATOM 0 HB3 GLU A 135 13.523 -0.412 4.052 1.00 51.22 H new ATOM 0 HG2 GLU A 135 12.576 -0.248 6.834 1.00 3.02 H new ATOM 0 HG3 GLU A 135 12.487 -1.869 6.173 1.00 3.02 H new ATOM 2025 N VAL A 136 11.338 1.958 2.626 1.00 75.42 N ATOM 2026 CA VAL A 136 11.412 2.569 1.304 1.00 51.22 C ATOM 2027 C VAL A 136 11.526 4.086 1.406 1.00 21.02 C ATOM 2028 O VAL A 136 12.401 4.695 0.792 1.00 3.31 O ATOM 2029 CB VAL A 136 10.180 2.214 0.451 1.00 15.04 C ATOM 2030 CG1 VAL A 136 10.328 2.768 -0.958 1.00 52.43 C ATOM 2031 CG2 VAL A 136 9.969 0.708 0.421 1.00 35.33 C ATOM 0 H VAL A 136 10.398 1.683 2.911 1.00 75.42 H new ATOM 0 HA VAL A 136 12.305 2.172 0.821 1.00 51.22 H new ATOM 0 HB VAL A 136 9.301 2.672 0.905 1.00 15.04 H new ATOM 0 HG11 VAL A 136 9.448 2.507 -1.546 1.00 52.43 H new ATOM 0 HG12 VAL A 136 10.427 3.853 -0.914 1.00 52.43 H new ATOM 0 HG13 VAL A 136 11.216 2.342 -1.425 1.00 52.43 H new ATOM 0 HG21 VAL A 136 9.094 0.475 -0.186 1.00 35.33 H new ATOM 0 HG22 VAL A 136 10.847 0.226 -0.008 1.00 35.33 H new ATOM 0 HG23 VAL A 136 9.814 0.342 1.436 1.00 35.33 H new