USER MOD reduce.3.24.130724 H: found=0, std=0, add=1147, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 1151 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 171 GLN : amide:sc= -0.343 X(o=-1.1,f=-1) USER MOD Set 1.2: A 174 THR OG1 : rot -5:sc= -0.799 USER MOD Set 2.1: A 28 GLN : amide:sc= -0.198 X(o=-0.2,f=-0.4) USER MOD Set 2.2: A 137 MET CE :methyl -171:sc= 0 (180deg=-0.064) USER MOD Set 3.1: A 18 GLN : amide:sc= -0.414 K(o=-0.41,f=-2.5) USER MOD Set 3.2: A 22 THR OG1 : rot 105:sc= 0.00278 USER MOD Single : A 15 SER OG : rot 1:sc= 0.689! USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 20 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 GLN : amide:sc= -2.81! C(o=-2.8!,f=-3.5!) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0.00657 USER MOD Single : A 57 LYS NZ :NH3+ 152:sc= -0.187 (180deg=-0.926) USER MOD Single : A 58 LYS NZ :NH3+ -151:sc= -0.0899 (180deg=-0.645) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 62 CYS SG : rot -82:sc= 0.755 USER MOD Single : A 64 LYS NZ :NH3+ -156:sc= 0 (180deg=-0.739) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 77 GLN :FLIP amide:sc= -1.57! C(o=-2.2!,f=-1.6!) USER MOD Single : A 79 MET CE :methyl -160:sc= 0 (180deg=-0.139) USER MOD Single : A 99 MET CE :methyl -163:sc= 0 (180deg=-0.398) USER MOD Single : A 115 TYR OH : rot 180:sc= 0 USER MOD Single : A 118 SER OG : rot 77:sc= 1.14 USER MOD Single : A 119 LYS NZ :NH3+ 151:sc= -0.0839 (180deg=-0.615) USER MOD Single : A 123 LYS NZ :NH3+ 157:sc= -0.0837 (180deg=-0.621) USER MOD Single : A 126 CYS SG : rot 180:sc= 0 USER MOD Single : A 127 THR OG1 : rot 19:sc= 0.253 USER MOD Single : A 128 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 135 THR OG1 : rot 85:sc= 0.431 USER MOD Single : A 140 THR OG1 : rot 180:sc= 0 USER MOD Single : A 153 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 155 GLN : amide:sc= -0.113 X(o=-0.11,f=-0.073) USER MOD Single : A 163 SER OG : rot 90:sc= 1.11 USER MOD Single : A 164 TYR OH : rot 180:sc= 0 USER MOD Single : A 172 THR OG1 : rot 180:sc= 0 USER MOD Single : A 182 THR OG1 : rot -87:sc= 0.0753 USER MOD Single : A 184 SER OG : rot 150:sc= -0.0595 USER MOD Single : A 186 THR OG1 : rot -82:sc= 0.879 USER MOD ----------------------------------------------------------------- ATOM 176 N SER A 15 20.494 2.857 -1.678 1.00 1.07 N ATOM 177 CA SER A 15 20.133 4.041 -0.825 1.00 0.91 C ATOM 178 C SER A 15 18.629 4.047 -0.541 1.00 0.75 C ATOM 179 O SER A 15 17.822 4.015 -1.448 1.00 0.78 O ATOM 180 CB SER A 15 20.528 5.333 -1.539 1.00 0.99 C ATOM 181 OG SER A 15 19.577 5.615 -2.558 1.00 1.38 O ATOM 0 HA SER A 15 20.672 3.972 0.120 1.00 0.91 H new ATOM 0 HB2 SER A 15 20.571 6.157 -0.827 1.00 0.99 H new ATOM 0 HB3 SER A 15 21.523 5.233 -1.972 1.00 0.99 H new ATOM 0 HG SER A 15 18.885 4.921 -2.561 1.00 1.38 H new ATOM 187 N SER A 16 18.254 4.078 0.714 1.00 0.72 N ATOM 188 CA SER A 16 16.804 4.083 1.087 1.00 0.82 C ATOM 189 C SER A 16 16.010 4.992 0.140 1.00 0.81 C ATOM 190 O SER A 16 14.809 4.863 0.003 1.00 0.92 O ATOM 191 CB SER A 16 16.666 4.605 2.518 1.00 1.06 C ATOM 192 OG SER A 16 17.196 5.921 2.590 1.00 1.64 O ATOM 0 H SER A 16 18.898 4.100 1.505 1.00 0.72 H new ATOM 0 HA SER A 16 16.411 3.069 1.012 1.00 0.82 H new ATOM 0 HB2 SER A 16 15.618 4.606 2.818 1.00 1.06 H new ATOM 0 HB3 SER A 16 17.195 3.949 3.209 1.00 1.06 H new ATOM 0 HG SER A 16 17.108 6.260 3.505 1.00 1.64 H new ATOM 198 N GLU A 17 16.668 5.910 -0.512 1.00 0.80 N ATOM 199 CA GLU A 17 15.956 6.826 -1.448 1.00 0.94 C ATOM 200 C GLU A 17 15.320 6.033 -2.597 1.00 0.85 C ATOM 201 O GLU A 17 14.312 6.425 -3.149 1.00 0.89 O ATOM 202 CB GLU A 17 16.942 7.852 -2.013 1.00 1.13 C ATOM 203 CG GLU A 17 16.177 8.929 -2.784 1.00 1.71 C ATOM 204 CD GLU A 17 17.168 9.930 -3.381 1.00 2.26 C ATOM 205 OE1 GLU A 17 18.226 10.104 -2.800 1.00 2.68 O ATOM 206 OE2 GLU A 17 16.851 10.505 -4.410 1.00 2.90 O ATOM 0 H GLU A 17 17.673 6.066 -0.437 1.00 0.80 H new ATOM 0 HA GLU A 17 15.166 7.341 -0.901 1.00 0.94 H new ATOM 0 HB2 GLU A 17 17.513 8.307 -1.203 1.00 1.13 H new ATOM 0 HB3 GLU A 17 17.658 7.359 -2.671 1.00 1.13 H new ATOM 0 HG2 GLU A 17 15.584 8.472 -3.576 1.00 1.71 H new ATOM 0 HG3 GLU A 17 15.481 9.442 -2.120 1.00 1.71 H new ATOM 213 N GLN A 18 15.901 4.920 -2.961 1.00 0.80 N ATOM 214 CA GLN A 18 15.322 4.108 -4.072 1.00 0.83 C ATOM 215 C GLN A 18 13.941 3.582 -3.639 1.00 0.68 C ATOM 216 O GLN A 18 13.002 3.575 -4.410 1.00 0.69 O ATOM 217 CB GLN A 18 16.281 2.936 -4.399 1.00 0.96 C ATOM 218 CG GLN A 18 16.607 2.908 -5.898 1.00 1.53 C ATOM 219 CD GLN A 18 15.317 2.743 -6.702 1.00 2.23 C ATOM 220 OE1 GLN A 18 14.365 2.152 -6.231 1.00 2.69 O ATOM 221 NE2 GLN A 18 15.246 3.239 -7.907 1.00 3.07 N ATOM 0 H GLN A 18 16.748 4.539 -2.539 1.00 0.80 H new ATOM 0 HA GLN A 18 15.201 4.717 -4.968 1.00 0.83 H new ATOM 0 HB2 GLN A 18 17.201 3.040 -3.823 1.00 0.96 H new ATOM 0 HB3 GLN A 18 15.824 1.992 -4.103 1.00 0.96 H new ATOM 0 HG2 GLN A 18 17.112 3.829 -6.188 1.00 1.53 H new ATOM 0 HG3 GLN A 18 17.291 2.088 -6.116 1.00 1.53 H new ATOM 0 HE21 GLN A 18 16.045 3.735 -8.302 1.00 3.07 H new ATOM 0 HE22 GLN A 18 14.392 3.131 -8.454 1.00 3.07 H new ATOM 230 N ILE A 19 13.811 3.151 -2.414 1.00 0.59 N ATOM 231 CA ILE A 19 12.493 2.638 -1.935 1.00 0.58 C ATOM 232 C ILE A 19 11.500 3.799 -1.821 1.00 0.52 C ATOM 233 O ILE A 19 10.313 3.646 -2.031 1.00 0.59 O ATOM 234 CB ILE A 19 12.667 1.970 -0.574 1.00 0.64 C ATOM 235 CG1 ILE A 19 13.648 0.802 -0.709 1.00 0.74 C ATOM 236 CG2 ILE A 19 11.315 1.450 -0.082 1.00 0.73 C ATOM 237 CD1 ILE A 19 14.078 0.334 0.681 1.00 0.81 C ATOM 0 H ILE A 19 14.561 3.131 -1.722 1.00 0.59 H new ATOM 0 HA ILE A 19 12.109 1.907 -2.646 1.00 0.58 H new ATOM 0 HB ILE A 19 13.056 2.694 0.143 1.00 0.64 H new ATOM 0 HG12 ILE A 19 13.180 -0.019 -1.252 1.00 0.74 H new ATOM 0 HG13 ILE A 19 14.520 1.110 -1.286 1.00 0.74 H new ATOM 0 HG21 ILE A 19 11.440 0.973 0.890 1.00 0.73 H new ATOM 0 HG22 ILE A 19 10.617 2.282 0.009 1.00 0.73 H new ATOM 0 HG23 ILE A 19 10.923 0.724 -0.794 1.00 0.73 H new ATOM 0 HD11 ILE A 19 14.776 -0.497 0.585 1.00 0.81 H new ATOM 0 HD12 ILE A 19 14.563 1.156 1.208 1.00 0.81 H new ATOM 0 HD13 ILE A 19 13.202 0.009 1.243 1.00 0.81 H new ATOM 249 N MET A 20 11.985 4.956 -1.493 1.00 0.51 N ATOM 250 CA MET A 20 11.109 6.149 -1.362 1.00 0.60 C ATOM 251 C MET A 20 10.560 6.591 -2.723 1.00 0.55 C ATOM 252 O MET A 20 9.495 7.163 -2.830 1.00 0.59 O ATOM 253 CB MET A 20 11.976 7.303 -0.795 1.00 0.82 C ATOM 254 CG MET A 20 11.093 8.314 -0.033 1.00 1.07 C ATOM 255 SD MET A 20 10.431 7.554 1.483 1.00 1.43 S ATOM 256 CE MET A 20 8.665 7.866 1.194 1.00 0.93 C ATOM 0 H MET A 20 12.972 5.131 -1.306 1.00 0.51 H new ATOM 0 HA MET A 20 10.268 5.905 -0.713 1.00 0.60 H new ATOM 0 HB2 MET A 20 12.738 6.900 -0.128 1.00 0.82 H new ATOM 0 HB3 MET A 20 12.499 7.807 -1.608 1.00 0.82 H new ATOM 0 HG2 MET A 20 11.677 9.199 0.220 1.00 1.07 H new ATOM 0 HG3 MET A 20 10.273 8.645 -0.671 1.00 1.07 H new ATOM 0 HE1 MET A 20 8.084 7.468 2.026 1.00 0.93 H new ATOM 0 HE2 MET A 20 8.494 8.939 1.112 1.00 0.93 H new ATOM 0 HE3 MET A 20 8.356 7.378 0.270 1.00 0.93 H new ATOM 266 N LYS A 21 11.315 6.337 -3.766 1.00 0.57 N ATOM 267 CA LYS A 21 10.894 6.740 -5.143 1.00 0.61 C ATOM 268 C LYS A 21 9.928 5.712 -5.735 1.00 0.53 C ATOM 269 O LYS A 21 8.847 6.051 -6.171 1.00 0.51 O ATOM 270 CB LYS A 21 12.135 6.825 -6.040 1.00 0.72 C ATOM 271 CG LYS A 21 11.763 7.460 -7.386 1.00 1.09 C ATOM 272 CD LYS A 21 12.917 7.282 -8.379 1.00 1.24 C ATOM 273 CE LYS A 21 14.139 8.082 -7.914 1.00 1.80 C ATOM 274 NZ LYS A 21 15.077 8.264 -9.058 1.00 2.40 N ATOM 0 H LYS A 21 12.216 5.861 -3.719 1.00 0.57 H new ATOM 0 HA LYS A 21 10.393 7.706 -5.087 1.00 0.61 H new ATOM 0 HB2 LYS A 21 12.909 7.416 -5.550 1.00 0.72 H new ATOM 0 HB3 LYS A 21 12.548 5.829 -6.200 1.00 0.72 H new ATOM 0 HG2 LYS A 21 10.858 6.997 -7.779 1.00 1.09 H new ATOM 0 HG3 LYS A 21 11.547 8.520 -7.251 1.00 1.09 H new ATOM 0 HD2 LYS A 21 13.174 6.226 -8.464 1.00 1.24 H new ATOM 0 HD3 LYS A 21 12.609 7.616 -9.370 1.00 1.24 H new ATOM 0 HE2 LYS A 21 13.827 9.052 -7.528 1.00 1.80 H new ATOM 0 HE3 LYS A 21 14.640 7.560 -7.098 1.00 1.80 H new ATOM 0 HZ1 LYS A 21 15.907 8.807 -8.744 1.00 2.40 H new ATOM 0 HZ2 LYS A 21 15.384 7.334 -9.407 1.00 2.40 H new ATOM 0 HZ3 LYS A 21 14.596 8.779 -9.823 1.00 2.40 H new ATOM 288 N THR A 22 10.291 4.462 -5.757 1.00 0.53 N ATOM 289 CA THR A 22 9.362 3.447 -6.325 1.00 0.52 C ATOM 290 C THR A 22 8.082 3.445 -5.493 1.00 0.45 C ATOM 291 O THR A 22 6.995 3.247 -5.998 1.00 0.48 O ATOM 292 CB THR A 22 10.024 2.063 -6.278 1.00 0.55 C ATOM 293 OG1 THR A 22 11.240 2.101 -7.010 1.00 0.64 O ATOM 294 CG2 THR A 22 9.092 1.016 -6.893 1.00 0.62 C ATOM 0 H THR A 22 11.180 4.101 -5.411 1.00 0.53 H new ATOM 0 HA THR A 22 9.127 3.687 -7.362 1.00 0.52 H new ATOM 0 HB THR A 22 10.225 1.795 -5.241 1.00 0.55 H new ATOM 0 HG1 THR A 22 11.996 2.124 -6.387 1.00 0.64 H new ATOM 0 HG21 THR A 22 9.570 0.037 -6.856 1.00 0.62 H new ATOM 0 HG22 THR A 22 8.158 0.986 -6.332 1.00 0.62 H new ATOM 0 HG23 THR A 22 8.884 1.279 -7.930 1.00 0.62 H new ATOM 302 N GLY A 23 8.210 3.661 -4.215 1.00 0.42 N ATOM 303 CA GLY A 23 7.012 3.669 -3.332 1.00 0.43 C ATOM 304 C GLY A 23 6.042 4.779 -3.753 1.00 0.41 C ATOM 305 O GLY A 23 4.851 4.561 -3.850 1.00 0.47 O ATOM 0 H GLY A 23 9.097 3.833 -3.742 1.00 0.42 H new ATOM 0 HA2 GLY A 23 6.511 2.702 -3.380 1.00 0.43 H new ATOM 0 HA3 GLY A 23 7.317 3.818 -2.296 1.00 0.43 H new ATOM 309 N ALA A 24 6.524 5.971 -3.988 1.00 0.40 N ATOM 310 CA ALA A 24 5.606 7.084 -4.382 1.00 0.41 C ATOM 311 C ALA A 24 5.149 6.930 -5.836 1.00 0.41 C ATOM 312 O ALA A 24 4.165 7.511 -6.247 1.00 0.41 O ATOM 313 CB ALA A 24 6.349 8.418 -4.246 1.00 0.42 C ATOM 0 H ALA A 24 7.510 6.223 -3.925 1.00 0.40 H new ATOM 0 HA ALA A 24 4.733 7.056 -3.730 1.00 0.41 H new ATOM 0 HB1 ALA A 24 5.686 9.235 -4.532 1.00 0.42 H new ATOM 0 HB2 ALA A 24 6.667 8.554 -3.212 1.00 0.42 H new ATOM 0 HB3 ALA A 24 7.223 8.416 -4.897 1.00 0.42 H new ATOM 319 N LEU A 25 5.857 6.159 -6.626 1.00 0.42 N ATOM 320 CA LEU A 25 5.445 5.994 -8.054 1.00 0.44 C ATOM 321 C LEU A 25 4.344 4.931 -8.110 1.00 0.44 C ATOM 322 O LEU A 25 3.264 5.159 -8.616 1.00 0.46 O ATOM 323 CB LEU A 25 6.660 5.567 -8.906 1.00 0.47 C ATOM 324 CG LEU A 25 7.364 6.789 -9.544 1.00 0.77 C ATOM 325 CD1 LEU A 25 6.570 7.286 -10.761 1.00 1.58 C ATOM 326 CD2 LEU A 25 7.516 7.930 -8.518 1.00 1.67 C ATOM 0 H LEU A 25 6.692 5.643 -6.348 1.00 0.42 H new ATOM 0 HA LEU A 25 5.069 6.935 -8.455 1.00 0.44 H new ATOM 0 HB2 LEU A 25 7.369 5.022 -8.283 1.00 0.47 H new ATOM 0 HB3 LEU A 25 6.334 4.884 -9.690 1.00 0.47 H new ATOM 0 HG LEU A 25 8.357 6.477 -9.868 1.00 0.77 H new ATOM 0 HD11 LEU A 25 7.077 8.146 -11.200 1.00 1.58 H new ATOM 0 HD12 LEU A 25 6.501 6.489 -11.501 1.00 1.58 H new ATOM 0 HD13 LEU A 25 5.567 7.577 -10.447 1.00 1.58 H new ATOM 0 HD21 LEU A 25 8.013 8.778 -8.988 1.00 1.67 H new ATOM 0 HD22 LEU A 25 6.531 8.236 -8.166 1.00 1.67 H new ATOM 0 HD23 LEU A 25 8.111 7.583 -7.673 1.00 1.67 H new ATOM 338 N LEU A 26 4.630 3.765 -7.600 1.00 0.45 N ATOM 339 CA LEU A 26 3.628 2.668 -7.620 1.00 0.47 C ATOM 340 C LEU A 26 2.277 3.172 -7.122 1.00 0.49 C ATOM 341 O LEU A 26 1.254 2.916 -7.726 1.00 0.52 O ATOM 342 CB LEU A 26 4.110 1.522 -6.712 1.00 0.51 C ATOM 343 CG LEU A 26 5.349 0.836 -7.325 1.00 0.69 C ATOM 344 CD1 LEU A 26 5.846 -0.258 -6.376 1.00 1.17 C ATOM 345 CD2 LEU A 26 5.000 0.225 -8.698 1.00 1.35 C ATOM 0 H LEU A 26 5.522 3.526 -7.168 1.00 0.45 H new ATOM 0 HA LEU A 26 3.516 2.311 -8.644 1.00 0.47 H new ATOM 0 HB2 LEU A 26 4.353 1.911 -5.723 1.00 0.51 H new ATOM 0 HB3 LEU A 26 3.311 0.793 -6.580 1.00 0.51 H new ATOM 0 HG LEU A 26 6.134 1.578 -7.467 1.00 0.69 H new ATOM 0 HD11 LEU A 26 6.721 -0.744 -6.807 1.00 1.17 H new ATOM 0 HD12 LEU A 26 6.113 0.186 -5.417 1.00 1.17 H new ATOM 0 HD13 LEU A 26 5.058 -0.996 -6.227 1.00 1.17 H new ATOM 0 HD21 LEU A 26 5.884 -0.255 -9.118 1.00 1.35 H new ATOM 0 HD22 LEU A 26 4.208 -0.514 -8.577 1.00 1.35 H new ATOM 0 HD23 LEU A 26 4.661 1.012 -9.371 1.00 1.35 H new ATOM 357 N LEU A 27 2.243 3.856 -6.006 1.00 0.50 N ATOM 358 CA LEU A 27 0.924 4.318 -5.488 1.00 0.56 C ATOM 359 C LEU A 27 0.363 5.386 -6.440 1.00 0.56 C ATOM 360 O LEU A 27 -0.751 5.272 -6.910 1.00 0.60 O ATOM 361 CB LEU A 27 1.093 4.830 -4.049 1.00 0.64 C ATOM 362 CG LEU A 27 -0.199 5.462 -3.524 1.00 0.95 C ATOM 363 CD1 LEU A 27 -1.303 4.402 -3.446 1.00 1.66 C ATOM 364 CD2 LEU A 27 0.061 6.036 -2.127 1.00 1.42 C ATOM 0 H LEU A 27 3.055 4.109 -5.443 1.00 0.50 H new ATOM 0 HA LEU A 27 0.206 3.499 -5.453 1.00 0.56 H new ATOM 0 HB2 LEU A 27 1.386 4.005 -3.400 1.00 0.64 H new ATOM 0 HB3 LEU A 27 1.898 5.564 -4.015 1.00 0.64 H new ATOM 0 HG LEU A 27 -0.518 6.257 -4.198 1.00 0.95 H new ATOM 0 HD11 LEU A 27 -2.220 4.858 -3.072 1.00 1.66 H new ATOM 0 HD12 LEU A 27 -1.482 3.989 -4.439 1.00 1.66 H new ATOM 0 HD13 LEU A 27 -0.994 3.603 -2.772 1.00 1.66 H new ATOM 0 HD21 LEU A 27 -0.853 6.489 -1.744 1.00 1.42 H new ATOM 0 HD22 LEU A 27 0.378 5.236 -1.458 1.00 1.42 H new ATOM 0 HD23 LEU A 27 0.844 6.792 -2.184 1.00 1.42 H new ATOM 376 N GLN A 28 1.108 6.413 -6.743 1.00 0.55 N ATOM 377 CA GLN A 28 0.582 7.455 -7.676 1.00 0.58 C ATOM 378 C GLN A 28 0.161 6.796 -8.998 1.00 0.54 C ATOM 379 O GLN A 28 -0.707 7.281 -9.697 1.00 0.58 O ATOM 380 CB GLN A 28 1.685 8.490 -7.943 1.00 0.60 C ATOM 381 CG GLN A 28 1.218 9.520 -8.981 1.00 1.00 C ATOM 382 CD GLN A 28 -0.103 10.148 -8.534 1.00 1.40 C ATOM 383 OE1 GLN A 28 -0.140 10.907 -7.586 1.00 2.09 O ATOM 384 NE2 GLN A 28 -1.199 9.857 -9.179 1.00 1.91 N ATOM 0 H GLN A 28 2.051 6.577 -6.390 1.00 0.55 H new ATOM 0 HA GLN A 28 -0.283 7.947 -7.230 1.00 0.58 H new ATOM 0 HB2 GLN A 28 1.950 8.996 -7.014 1.00 0.60 H new ATOM 0 HB3 GLN A 28 2.584 7.988 -8.300 1.00 0.60 H new ATOM 0 HG2 GLN A 28 1.975 10.294 -9.104 1.00 1.00 H new ATOM 0 HG3 GLN A 28 1.092 9.040 -9.951 1.00 1.00 H new ATOM 0 HE21 GLN A 28 -1.168 9.220 -9.975 1.00 1.91 H new ATOM 0 HE22 GLN A 28 -2.086 10.267 -8.887 1.00 1.91 H new ATOM 393 N GLY A 29 0.792 5.708 -9.353 1.00 0.50 N ATOM 394 CA GLY A 29 0.456 5.027 -10.638 1.00 0.48 C ATOM 395 C GLY A 29 -0.860 4.253 -10.513 1.00 0.44 C ATOM 396 O GLY A 29 -1.784 4.460 -11.273 1.00 0.50 O ATOM 0 H GLY A 29 1.528 5.260 -8.807 1.00 0.50 H new ATOM 0 HA2 GLY A 29 0.375 5.765 -11.436 1.00 0.48 H new ATOM 0 HA3 GLY A 29 1.260 4.345 -10.915 1.00 0.48 H new ATOM 400 N PHE A 30 -0.948 3.349 -9.577 1.00 0.44 N ATOM 401 CA PHE A 30 -2.201 2.552 -9.431 1.00 0.43 C ATOM 402 C PHE A 30 -3.394 3.484 -9.209 1.00 0.40 C ATOM 403 O PHE A 30 -4.534 3.084 -9.336 1.00 0.43 O ATOM 404 CB PHE A 30 -2.064 1.601 -8.235 1.00 0.47 C ATOM 405 CG PHE A 30 -3.369 0.856 -8.009 1.00 0.47 C ATOM 406 CD1 PHE A 30 -3.906 0.048 -9.024 1.00 1.20 C ATOM 407 CD2 PHE A 30 -4.039 0.967 -6.781 1.00 1.39 C ATOM 408 CE1 PHE A 30 -5.107 -0.641 -8.811 1.00 1.21 C ATOM 409 CE2 PHE A 30 -5.240 0.276 -6.571 1.00 1.42 C ATOM 410 CZ PHE A 30 -5.773 -0.527 -7.585 1.00 0.58 C ATOM 0 H PHE A 30 -0.210 3.127 -8.909 1.00 0.44 H new ATOM 0 HA PHE A 30 -2.365 1.976 -10.341 1.00 0.43 H new ATOM 0 HB2 PHE A 30 -1.257 0.891 -8.416 1.00 0.47 H new ATOM 0 HB3 PHE A 30 -1.798 2.165 -7.341 1.00 0.47 H new ATOM 0 HD1 PHE A 30 -3.393 -0.042 -9.970 1.00 1.20 H new ATOM 0 HD2 PHE A 30 -3.629 1.586 -5.997 1.00 1.39 H new ATOM 0 HE1 PHE A 30 -5.519 -1.261 -9.593 1.00 1.21 H new ATOM 0 HE2 PHE A 30 -5.755 0.363 -5.625 1.00 1.42 H new ATOM 0 HZ PHE A 30 -6.699 -1.059 -7.422 1.00 0.58 H new ATOM 420 N ILE A 31 -3.151 4.727 -8.883 1.00 0.40 N ATOM 421 CA ILE A 31 -4.283 5.678 -8.659 1.00 0.40 C ATOM 422 C ILE A 31 -4.713 6.267 -10.009 1.00 0.40 C ATOM 423 O ILE A 31 -5.851 6.144 -10.416 1.00 0.43 O ATOM 424 CB ILE A 31 -3.818 6.797 -7.715 1.00 0.41 C ATOM 425 CG1 ILE A 31 -3.692 6.246 -6.291 1.00 0.53 C ATOM 426 CG2 ILE A 31 -4.817 7.961 -7.720 1.00 0.72 C ATOM 427 CD1 ILE A 31 -2.921 7.249 -5.430 1.00 0.48 C ATOM 0 H ILE A 31 -2.220 5.125 -8.762 1.00 0.40 H new ATOM 0 HA ILE A 31 -5.130 5.161 -8.208 1.00 0.40 H new ATOM 0 HB ILE A 31 -2.851 7.162 -8.061 1.00 0.41 H new ATOM 0 HG12 ILE A 31 -4.681 6.070 -5.868 1.00 0.53 H new ATOM 0 HG13 ILE A 31 -3.175 5.287 -6.304 1.00 0.53 H new ATOM 0 HG21 ILE A 31 -4.468 8.743 -7.045 1.00 0.72 H new ATOM 0 HG22 ILE A 31 -4.901 8.364 -8.729 1.00 0.72 H new ATOM 0 HG23 ILE A 31 -5.793 7.605 -7.389 1.00 0.72 H new ATOM 0 HD11 ILE A 31 -2.828 6.862 -4.415 1.00 0.48 H new ATOM 0 HD12 ILE A 31 -1.928 7.403 -5.852 1.00 0.48 H new ATOM 0 HD13 ILE A 31 -3.457 8.198 -5.409 1.00 0.48 H new ATOM 439 N GLN A 32 -3.814 6.904 -10.704 1.00 0.42 N ATOM 440 CA GLN A 32 -4.172 7.497 -12.025 1.00 0.47 C ATOM 441 C GLN A 32 -4.846 6.440 -12.909 1.00 0.50 C ATOM 442 O GLN A 32 -5.839 6.705 -13.558 1.00 0.61 O ATOM 443 CB GLN A 32 -2.901 8.017 -12.709 1.00 0.57 C ATOM 444 CG GLN A 32 -3.268 8.995 -13.832 1.00 1.19 C ATOM 445 CD GLN A 32 -3.937 8.232 -14.977 1.00 1.59 C ATOM 446 OE1 GLN A 32 -5.094 8.452 -15.275 1.00 2.16 O ATOM 447 NE2 GLN A 32 -3.253 7.337 -15.635 1.00 2.21 N ATOM 0 H GLN A 32 -2.845 7.041 -10.416 1.00 0.42 H new ATOM 0 HA GLN A 32 -4.867 8.323 -11.874 1.00 0.47 H new ATOM 0 HB2 GLN A 32 -2.263 8.514 -11.978 1.00 0.57 H new ATOM 0 HB3 GLN A 32 -2.330 7.182 -13.116 1.00 0.57 H new ATOM 0 HG2 GLN A 32 -3.940 9.765 -13.453 1.00 1.19 H new ATOM 0 HG3 GLN A 32 -2.373 9.502 -14.193 1.00 1.19 H new ATOM 0 HE21 GLN A 32 -2.282 7.152 -15.385 1.00 2.21 H new ATOM 0 HE22 GLN A 32 -3.690 6.822 -16.400 1.00 2.21 H new ATOM 456 N ASP A 33 -4.319 5.246 -12.944 1.00 0.49 N ATOM 457 CA ASP A 33 -4.933 4.178 -13.790 1.00 0.58 C ATOM 458 C ASP A 33 -6.339 3.853 -13.277 1.00 0.61 C ATOM 459 O ASP A 33 -7.277 3.706 -14.036 1.00 0.70 O ATOM 460 CB ASP A 33 -4.063 2.920 -13.710 1.00 0.61 C ATOM 461 CG ASP A 33 -4.587 1.868 -14.689 1.00 1.10 C ATOM 462 OD1 ASP A 33 -5.679 1.371 -14.465 1.00 1.78 O ATOM 463 OD2 ASP A 33 -3.887 1.575 -15.645 1.00 1.89 O ATOM 0 H ASP A 33 -3.489 4.962 -12.423 1.00 0.49 H new ATOM 0 HA ASP A 33 -4.999 4.523 -14.822 1.00 0.58 H new ATOM 0 HB2 ASP A 33 -3.028 3.166 -13.946 1.00 0.61 H new ATOM 0 HB3 ASP A 33 -4.073 2.523 -12.695 1.00 0.61 H new ATOM 468 N ARG A 34 -6.481 3.744 -11.988 1.00 0.58 N ATOM 469 CA ARG A 34 -7.806 3.434 -11.383 1.00 0.71 C ATOM 470 C ARG A 34 -8.815 4.559 -11.661 1.00 0.65 C ATOM 471 O ARG A 34 -10.010 4.344 -11.613 1.00 0.85 O ATOM 472 CB ARG A 34 -7.622 3.297 -9.857 1.00 0.85 C ATOM 473 CG ARG A 34 -7.086 1.894 -9.501 1.00 1.25 C ATOM 474 CD ARG A 34 -8.248 0.902 -9.343 1.00 1.31 C ATOM 475 NE ARG A 34 -8.990 1.196 -8.084 1.00 1.58 N ATOM 476 CZ ARG A 34 -10.177 0.686 -7.890 1.00 2.09 C ATOM 477 NH1 ARG A 34 -10.715 -0.081 -8.799 1.00 2.58 N ATOM 478 NH2 ARG A 34 -10.825 0.943 -6.787 1.00 2.75 N ATOM 0 H ARG A 34 -5.723 3.858 -11.316 1.00 0.58 H new ATOM 0 HA ARG A 34 -8.188 2.511 -11.819 1.00 0.71 H new ATOM 0 HB2 ARG A 34 -6.930 4.059 -9.498 1.00 0.85 H new ATOM 0 HB3 ARG A 34 -8.573 3.468 -9.353 1.00 0.85 H new ATOM 0 HG2 ARG A 34 -6.407 1.548 -10.281 1.00 1.25 H new ATOM 0 HG3 ARG A 34 -6.511 1.941 -8.576 1.00 1.25 H new ATOM 0 HD2 ARG A 34 -8.920 0.975 -10.198 1.00 1.31 H new ATOM 0 HD3 ARG A 34 -7.867 -0.119 -9.322 1.00 1.31 H new ATOM 0 HE ARG A 34 -8.571 1.796 -7.373 1.00 1.58 H new ATOM 0 HH11 ARG A 34 -10.209 -0.282 -9.661 1.00 2.58 H new ATOM 0 HH12 ARG A 34 -11.642 -0.479 -8.647 1.00 2.58 H new ATOM 0 HH21 ARG A 34 -10.405 1.542 -6.076 1.00 2.75 H new ATOM 0 HH22 ARG A 34 -11.752 0.545 -6.635 1.00 2.75 H new ATOM 492 N ALA A 35 -8.363 5.762 -11.914 1.00 0.59 N ATOM 493 CA ALA A 35 -9.339 6.872 -12.143 1.00 0.66 C ATOM 494 C ALA A 35 -10.006 6.744 -13.521 1.00 0.80 C ATOM 495 O ALA A 35 -11.129 7.166 -13.707 1.00 0.88 O ATOM 496 CB ALA A 35 -8.651 8.230 -12.014 1.00 0.94 C ATOM 0 H ALA A 35 -7.378 6.021 -11.971 1.00 0.59 H new ATOM 0 HA ALA A 35 -10.113 6.799 -11.379 1.00 0.66 H new ATOM 0 HB1 ALA A 35 -9.378 9.024 -12.184 1.00 0.94 H new ATOM 0 HB2 ALA A 35 -8.231 8.331 -11.013 1.00 0.94 H new ATOM 0 HB3 ALA A 35 -7.853 8.305 -12.752 1.00 0.94 H new ATOM 751 N ALA A 54 10.268 0.225 -17.325 1.00 0.91 N ATOM 752 CA ALA A 54 9.811 -1.184 -17.484 1.00 0.84 C ATOM 753 C ALA A 54 9.655 -1.867 -16.121 1.00 0.76 C ATOM 754 O ALA A 54 8.908 -2.816 -15.980 1.00 0.75 O ATOM 755 CB ALA A 54 10.851 -1.953 -18.302 1.00 0.95 C ATOM 0 HA ALA A 54 8.845 -1.181 -17.988 1.00 0.84 H new ATOM 0 HB1 ALA A 54 10.526 -2.986 -18.424 1.00 0.95 H new ATOM 0 HB2 ALA A 54 10.959 -1.488 -19.282 1.00 0.95 H new ATOM 0 HB3 ALA A 54 11.809 -1.933 -17.783 1.00 0.95 H new ATOM 761 N SER A 55 10.353 -1.410 -15.115 1.00 0.75 N ATOM 762 CA SER A 55 10.233 -2.070 -13.780 1.00 0.71 C ATOM 763 C SER A 55 8.935 -1.644 -13.095 1.00 0.66 C ATOM 764 O SER A 55 8.195 -2.465 -12.591 1.00 0.66 O ATOM 765 CB SER A 55 11.420 -1.681 -12.901 1.00 0.76 C ATOM 766 OG SER A 55 12.628 -2.062 -13.546 1.00 1.37 O ATOM 0 H SER A 55 10.994 -0.618 -15.157 1.00 0.75 H new ATOM 0 HA SER A 55 10.224 -3.150 -13.924 1.00 0.71 H new ATOM 0 HB2 SER A 55 11.415 -0.606 -12.719 1.00 0.76 H new ATOM 0 HB3 SER A 55 11.343 -2.170 -11.930 1.00 0.76 H new ATOM 0 HG SER A 55 13.391 -1.812 -12.985 1.00 1.37 H new ATOM 772 N THR A 56 8.652 -0.368 -13.053 1.00 0.65 N ATOM 773 CA THR A 56 7.401 0.078 -12.376 1.00 0.62 C ATOM 774 C THR A 56 6.200 -0.268 -13.253 1.00 0.59 C ATOM 775 O THR A 56 5.090 -0.397 -12.776 1.00 0.57 O ATOM 776 CB THR A 56 7.420 1.594 -12.159 1.00 0.67 C ATOM 777 OG1 THR A 56 7.817 2.234 -13.362 1.00 1.09 O ATOM 778 CG2 THR A 56 8.384 1.976 -11.036 1.00 1.06 C ATOM 0 H THR A 56 9.225 0.375 -13.453 1.00 0.65 H new ATOM 0 HA THR A 56 7.330 -0.426 -11.412 1.00 0.62 H new ATOM 0 HB THR A 56 6.418 1.916 -11.875 1.00 0.67 H new ATOM 0 HG1 THR A 56 7.829 3.205 -13.228 1.00 1.09 H new ATOM 0 HG21 THR A 56 8.378 3.058 -10.903 1.00 1.06 H new ATOM 0 HG22 THR A 56 8.072 1.495 -10.109 1.00 1.06 H new ATOM 0 HG23 THR A 56 9.391 1.648 -11.294 1.00 1.06 H new ATOM 786 N LYS A 57 6.402 -0.398 -14.536 1.00 0.61 N ATOM 787 CA LYS A 57 5.251 -0.707 -15.425 1.00 0.59 C ATOM 788 C LYS A 57 4.749 -2.120 -15.134 1.00 0.54 C ATOM 789 O LYS A 57 3.560 -2.372 -15.127 1.00 0.52 O ATOM 790 CB LYS A 57 5.679 -0.582 -16.890 1.00 0.65 C ATOM 791 CG LYS A 57 4.551 -1.073 -17.809 1.00 1.20 C ATOM 792 CD LYS A 57 4.773 -0.546 -19.231 1.00 1.33 C ATOM 793 CE LYS A 57 6.127 -1.028 -19.757 1.00 1.94 C ATOM 794 NZ LYS A 57 6.275 -2.488 -19.494 1.00 2.73 N ATOM 0 H LYS A 57 7.305 -0.304 -15.001 1.00 0.61 H new ATOM 0 HA LYS A 57 4.444 0.001 -15.238 1.00 0.59 H new ATOM 0 HB2 LYS A 57 5.921 0.456 -17.120 1.00 0.65 H new ATOM 0 HB3 LYS A 57 6.582 -1.166 -17.065 1.00 0.65 H new ATOM 0 HG2 LYS A 57 4.523 -2.163 -17.815 1.00 1.20 H new ATOM 0 HG3 LYS A 57 3.587 -0.732 -17.431 1.00 1.20 H new ATOM 0 HD2 LYS A 57 3.974 -0.893 -19.886 1.00 1.33 H new ATOM 0 HD3 LYS A 57 4.738 0.543 -19.235 1.00 1.33 H new ATOM 0 HE2 LYS A 57 6.204 -0.831 -20.826 1.00 1.94 H new ATOM 0 HE3 LYS A 57 6.934 -0.477 -19.273 1.00 1.94 H new ATOM 0 HZ1 LYS A 57 6.900 -2.908 -20.211 1.00 2.73 H new ATOM 0 HZ2 LYS A 57 6.686 -2.631 -18.550 1.00 2.73 H new ATOM 0 HZ3 LYS A 57 5.342 -2.945 -19.538 1.00 2.73 H new ATOM 808 N LYS A 58 5.634 -3.049 -14.883 1.00 0.55 N ATOM 809 CA LYS A 58 5.171 -4.435 -14.585 1.00 0.53 C ATOM 810 C LYS A 58 4.621 -4.474 -13.150 1.00 0.48 C ATOM 811 O LYS A 58 3.575 -5.041 -12.903 1.00 0.46 O ATOM 812 CB LYS A 58 6.345 -5.432 -14.746 1.00 0.56 C ATOM 813 CG LYS A 58 6.182 -6.250 -16.042 1.00 0.78 C ATOM 814 CD LYS A 58 5.065 -7.307 -15.876 1.00 0.96 C ATOM 815 CE LYS A 58 5.644 -8.614 -15.328 1.00 0.85 C ATOM 816 NZ LYS A 58 6.526 -9.235 -16.356 1.00 1.75 N ATOM 0 H LYS A 58 6.644 -2.911 -14.871 1.00 0.55 H new ATOM 0 HA LYS A 58 4.384 -4.723 -15.282 1.00 0.53 H new ATOM 0 HB2 LYS A 58 7.290 -4.890 -14.767 1.00 0.56 H new ATOM 0 HB3 LYS A 58 6.381 -6.103 -13.887 1.00 0.56 H new ATOM 0 HG2 LYS A 58 5.942 -5.585 -16.871 1.00 0.78 H new ATOM 0 HG3 LYS A 58 7.123 -6.742 -16.290 1.00 0.78 H new ATOM 0 HD2 LYS A 58 4.297 -6.931 -15.200 1.00 0.96 H new ATOM 0 HD3 LYS A 58 4.583 -7.490 -16.836 1.00 0.96 H new ATOM 0 HE2 LYS A 58 6.210 -8.420 -14.417 1.00 0.85 H new ATOM 0 HE3 LYS A 58 4.838 -9.299 -15.063 1.00 0.85 H new ATOM 0 HZ1 LYS A 58 6.524 -10.268 -16.237 1.00 1.75 H new ATOM 0 HZ2 LYS A 58 6.175 -8.996 -17.305 1.00 1.75 H new ATOM 0 HZ3 LYS A 58 7.495 -8.875 -16.245 1.00 1.75 H new ATOM 830 N LEU A 59 5.310 -3.896 -12.199 1.00 0.50 N ATOM 831 CA LEU A 59 4.794 -3.937 -10.798 1.00 0.47 C ATOM 832 C LEU A 59 3.438 -3.222 -10.758 1.00 0.43 C ATOM 833 O LEU A 59 2.612 -3.471 -9.900 1.00 0.42 O ATOM 834 CB LEU A 59 5.781 -3.240 -9.839 1.00 0.53 C ATOM 835 CG LEU A 59 6.895 -4.195 -9.361 1.00 0.71 C ATOM 836 CD1 LEU A 59 6.373 -5.120 -8.252 1.00 1.07 C ATOM 837 CD2 LEU A 59 7.431 -5.036 -10.529 1.00 1.34 C ATOM 0 H LEU A 59 6.194 -3.405 -12.329 1.00 0.50 H new ATOM 0 HA LEU A 59 4.683 -4.974 -10.480 1.00 0.47 H new ATOM 0 HB2 LEU A 59 6.229 -2.382 -10.341 1.00 0.53 H new ATOM 0 HB3 LEU A 59 5.238 -2.856 -8.976 1.00 0.53 H new ATOM 0 HG LEU A 59 7.709 -3.589 -8.964 1.00 0.71 H new ATOM 0 HD11 LEU A 59 7.172 -5.786 -7.928 1.00 1.07 H new ATOM 0 HD12 LEU A 59 6.035 -4.520 -7.407 1.00 1.07 H new ATOM 0 HD13 LEU A 59 5.540 -5.711 -8.633 1.00 1.07 H new ATOM 0 HD21 LEU A 59 8.215 -5.702 -10.168 1.00 1.34 H new ATOM 0 HD22 LEU A 59 6.620 -5.627 -10.954 1.00 1.34 H new ATOM 0 HD23 LEU A 59 7.839 -4.377 -11.295 1.00 1.34 H new ATOM 849 N SER A 60 3.194 -2.361 -11.708 1.00 0.43 N ATOM 850 CA SER A 60 1.886 -1.653 -11.762 1.00 0.42 C ATOM 851 C SER A 60 0.825 -2.635 -12.261 1.00 0.39 C ATOM 852 O SER A 60 -0.318 -2.590 -11.850 1.00 0.41 O ATOM 853 CB SER A 60 1.988 -0.487 -12.745 1.00 0.47 C ATOM 854 OG SER A 60 0.710 0.121 -12.888 1.00 1.36 O ATOM 0 H SER A 60 3.848 -2.117 -12.452 1.00 0.43 H new ATOM 0 HA SER A 60 1.619 -1.277 -10.774 1.00 0.42 H new ATOM 0 HB2 SER A 60 2.713 0.244 -12.386 1.00 0.47 H new ATOM 0 HB3 SER A 60 2.345 -0.842 -13.712 1.00 0.47 H new ATOM 0 HG SER A 60 0.773 0.870 -13.517 1.00 1.36 H new ATOM 860 N GLU A 61 1.195 -3.523 -13.146 1.00 0.38 N ATOM 861 CA GLU A 61 0.205 -4.504 -13.671 1.00 0.38 C ATOM 862 C GLU A 61 -0.203 -5.443 -12.529 1.00 0.38 C ATOM 863 O GLU A 61 -1.303 -5.957 -12.503 1.00 0.41 O ATOM 864 CB GLU A 61 0.819 -5.276 -14.847 1.00 0.39 C ATOM 865 CG GLU A 61 -0.003 -6.533 -15.155 1.00 1.06 C ATOM 866 CD GLU A 61 0.363 -7.057 -16.547 1.00 1.67 C ATOM 867 OE1 GLU A 61 0.185 -6.318 -17.502 1.00 2.25 O ATOM 868 OE2 GLU A 61 0.816 -8.186 -16.634 1.00 2.40 O ATOM 0 H GLU A 61 2.138 -3.610 -13.526 1.00 0.38 H new ATOM 0 HA GLU A 61 -0.685 -3.995 -14.040 1.00 0.38 H new ATOM 0 HB2 GLU A 61 0.859 -4.636 -15.728 1.00 0.39 H new ATOM 0 HB3 GLU A 61 1.845 -5.555 -14.609 1.00 0.39 H new ATOM 0 HG2 GLU A 61 0.190 -7.299 -14.404 1.00 1.06 H new ATOM 0 HG3 GLU A 61 -1.068 -6.304 -15.110 1.00 1.06 H new ATOM 875 N CYS A 62 0.653 -5.638 -11.566 1.00 0.37 N ATOM 876 CA CYS A 62 0.286 -6.505 -10.412 1.00 0.39 C ATOM 877 C CYS A 62 -0.835 -5.818 -9.624 1.00 0.38 C ATOM 878 O CYS A 62 -1.880 -6.391 -9.400 1.00 0.44 O ATOM 879 CB CYS A 62 1.507 -6.696 -9.509 1.00 0.41 C ATOM 880 SG CYS A 62 2.845 -7.457 -10.461 1.00 1.62 S ATOM 0 H CYS A 62 1.589 -5.235 -11.528 1.00 0.37 H new ATOM 0 HA CYS A 62 -0.051 -7.479 -10.766 1.00 0.39 H new ATOM 0 HB2 CYS A 62 1.831 -5.735 -9.109 1.00 0.41 H new ATOM 0 HB3 CYS A 62 1.248 -7.325 -8.657 1.00 0.41 H new ATOM 0 HG CYS A 62 2.661 -8.743 -10.517 1.00 1.62 H new ATOM 886 N LEU A 63 -0.641 -4.588 -9.234 1.00 0.35 N ATOM 887 CA LEU A 63 -1.706 -3.843 -8.493 1.00 0.36 C ATOM 888 C LEU A 63 -2.930 -3.637 -9.395 1.00 0.36 C ATOM 889 O LEU A 63 -4.018 -3.374 -8.921 1.00 0.41 O ATOM 890 CB LEU A 63 -1.150 -2.480 -8.066 1.00 0.38 C ATOM 891 CG LEU A 63 0.067 -2.684 -7.153 1.00 0.69 C ATOM 892 CD1 LEU A 63 0.644 -1.320 -6.767 1.00 1.39 C ATOM 893 CD2 LEU A 63 -0.344 -3.453 -5.880 1.00 1.11 C ATOM 0 H LEU A 63 0.216 -4.060 -9.397 1.00 0.35 H new ATOM 0 HA LEU A 63 -2.008 -4.416 -7.616 1.00 0.36 H new ATOM 0 HB2 LEU A 63 -0.865 -1.901 -8.944 1.00 0.38 H new ATOM 0 HB3 LEU A 63 -1.918 -1.910 -7.543 1.00 0.38 H new ATOM 0 HG LEU A 63 0.820 -3.264 -7.686 1.00 0.69 H new ATOM 0 HD11 LEU A 63 1.509 -1.461 -6.118 1.00 1.39 H new ATOM 0 HD12 LEU A 63 0.949 -0.786 -7.667 1.00 1.39 H new ATOM 0 HD13 LEU A 63 -0.114 -0.740 -6.240 1.00 1.39 H new ATOM 0 HD21 LEU A 63 0.528 -3.591 -5.241 1.00 1.11 H new ATOM 0 HD22 LEU A 63 -1.103 -2.885 -5.341 1.00 1.11 H new ATOM 0 HD23 LEU A 63 -0.748 -4.426 -6.158 1.00 1.11 H new ATOM 905 N LYS A 64 -2.770 -3.746 -10.685 1.00 0.35 N ATOM 906 CA LYS A 64 -3.936 -3.548 -11.599 1.00 0.37 C ATOM 907 C LYS A 64 -4.732 -4.860 -11.712 1.00 0.39 C ATOM 908 O LYS A 64 -5.942 -4.871 -11.620 1.00 0.43 O ATOM 909 CB LYS A 64 -3.422 -3.110 -12.988 1.00 0.38 C ATOM 910 CG LYS A 64 -4.375 -2.082 -13.617 1.00 0.82 C ATOM 911 CD LYS A 64 -5.752 -2.714 -13.838 1.00 1.35 C ATOM 912 CE LYS A 64 -6.620 -1.763 -14.665 1.00 1.38 C ATOM 913 NZ LYS A 64 -7.964 -2.372 -14.879 1.00 2.09 N ATOM 0 H LYS A 64 -1.887 -3.963 -11.147 1.00 0.35 H new ATOM 0 HA LYS A 64 -4.593 -2.775 -11.201 1.00 0.37 H new ATOM 0 HB2 LYS A 64 -2.425 -2.680 -12.894 1.00 0.38 H new ATOM 0 HB3 LYS A 64 -3.334 -3.979 -13.640 1.00 0.38 H new ATOM 0 HG2 LYS A 64 -4.465 -1.211 -12.967 1.00 0.82 H new ATOM 0 HG3 LYS A 64 -3.970 -1.731 -14.566 1.00 0.82 H new ATOM 0 HD2 LYS A 64 -5.648 -3.669 -14.352 1.00 1.35 H new ATOM 0 HD3 LYS A 64 -6.229 -2.919 -12.879 1.00 1.35 H new ATOM 0 HE2 LYS A 64 -6.720 -0.807 -14.152 1.00 1.38 H new ATOM 0 HE3 LYS A 64 -6.144 -1.561 -15.625 1.00 1.38 H new ATOM 0 HZ1 LYS A 64 -8.398 -1.965 -15.732 1.00 2.09 H new ATOM 0 HZ2 LYS A 64 -7.864 -3.400 -14.999 1.00 2.09 H new ATOM 0 HZ3 LYS A 64 -8.569 -2.176 -14.056 1.00 2.09 H new ATOM 927 N ARG A 65 -4.058 -5.958 -11.924 1.00 0.43 N ATOM 928 CA ARG A 65 -4.765 -7.268 -12.063 1.00 0.47 C ATOM 929 C ARG A 65 -5.539 -7.608 -10.780 1.00 0.50 C ATOM 930 O ARG A 65 -6.602 -8.196 -10.825 1.00 0.54 O ATOM 931 CB ARG A 65 -3.726 -8.365 -12.333 1.00 0.45 C ATOM 932 CG ARG A 65 -3.038 -8.129 -13.695 1.00 0.94 C ATOM 933 CD ARG A 65 -3.808 -8.847 -14.809 1.00 1.55 C ATOM 934 NE ARG A 65 -3.167 -8.557 -16.124 1.00 1.86 N ATOM 935 CZ ARG A 65 -3.438 -9.303 -17.161 1.00 2.39 C ATOM 936 NH1 ARG A 65 -4.260 -10.309 -17.042 1.00 2.94 N ATOM 937 NH2 ARG A 65 -2.884 -9.045 -18.314 1.00 2.92 N ATOM 0 H ARG A 65 -3.043 -6.006 -12.008 1.00 0.43 H new ATOM 0 HA ARG A 65 -5.474 -7.202 -12.888 1.00 0.47 H new ATOM 0 HB2 ARG A 65 -2.980 -8.373 -11.538 1.00 0.45 H new ATOM 0 HB3 ARG A 65 -4.209 -9.342 -12.326 1.00 0.45 H new ATOM 0 HG2 ARG A 65 -2.990 -7.061 -13.906 1.00 0.94 H new ATOM 0 HG3 ARG A 65 -2.011 -8.493 -13.660 1.00 0.94 H new ATOM 0 HD2 ARG A 65 -3.816 -9.921 -14.626 1.00 1.55 H new ATOM 0 HD3 ARG A 65 -4.847 -8.517 -14.818 1.00 1.55 H new ATOM 0 HE ARG A 65 -2.517 -7.776 -16.213 1.00 1.86 H new ATOM 0 HH11 ARG A 65 -4.690 -10.512 -16.140 1.00 2.94 H new ATOM 0 HH12 ARG A 65 -4.473 -10.892 -17.851 1.00 2.94 H new ATOM 0 HH21 ARG A 65 -2.239 -8.260 -18.406 1.00 2.92 H new ATOM 0 HH22 ARG A 65 -3.096 -9.628 -19.124 1.00 2.92 H new ATOM 951 N ILE A 66 -5.013 -7.258 -9.640 1.00 0.49 N ATOM 952 CA ILE A 66 -5.706 -7.574 -8.355 1.00 0.53 C ATOM 953 C ILE A 66 -6.703 -6.467 -8.026 1.00 0.54 C ATOM 954 O ILE A 66 -7.686 -6.689 -7.351 1.00 0.60 O ATOM 955 CB ILE A 66 -4.637 -7.745 -7.269 1.00 0.52 C ATOM 956 CG1 ILE A 66 -3.947 -6.403 -7.016 1.00 1.22 C ATOM 957 CG2 ILE A 66 -3.654 -8.776 -7.833 1.00 1.29 C ATOM 958 CD1 ILE A 66 -2.740 -6.599 -6.095 1.00 1.25 C ATOM 0 H ILE A 66 -4.127 -6.763 -9.540 1.00 0.49 H new ATOM 0 HA ILE A 66 -6.276 -8.501 -8.426 1.00 0.53 H new ATOM 0 HB ILE A 66 -5.051 -8.075 -6.316 1.00 0.52 H new ATOM 0 HG12 ILE A 66 -3.626 -5.966 -7.962 1.00 1.22 H new ATOM 0 HG13 ILE A 66 -4.650 -5.703 -6.564 1.00 1.22 H new ATOM 0 HG21 ILE A 66 -2.857 -8.952 -7.110 1.00 1.29 H new ATOM 0 HG22 ILE A 66 -4.180 -9.711 -8.029 1.00 1.29 H new ATOM 0 HG23 ILE A 66 -3.225 -8.400 -8.762 1.00 1.29 H new ATOM 0 HD11 ILE A 66 -2.255 -5.638 -5.921 1.00 1.25 H new ATOM 0 HD12 ILE A 66 -3.072 -7.016 -5.144 1.00 1.25 H new ATOM 0 HD13 ILE A 66 -2.032 -7.283 -6.563 1.00 1.25 H new ATOM 970 N GLY A 67 -6.485 -5.288 -8.534 1.00 0.52 N ATOM 971 CA GLY A 67 -7.453 -4.181 -8.289 1.00 0.55 C ATOM 972 C GLY A 67 -8.736 -4.476 -9.074 1.00 0.53 C ATOM 973 O GLY A 67 -9.807 -4.607 -8.511 1.00 0.63 O ATOM 0 H GLY A 67 -5.679 -5.041 -9.108 1.00 0.52 H new ATOM 0 HA2 GLY A 67 -7.671 -4.097 -7.224 1.00 0.55 H new ATOM 0 HA3 GLY A 67 -7.027 -3.228 -8.603 1.00 0.55 H new ATOM 977 N ASP A 68 -8.637 -4.597 -10.371 1.00 0.54 N ATOM 978 CA ASP A 68 -9.844 -4.897 -11.199 1.00 0.54 C ATOM 979 C ASP A 68 -10.438 -6.246 -10.792 1.00 0.52 C ATOM 980 O ASP A 68 -11.627 -6.469 -10.903 1.00 0.56 O ATOM 981 CB ASP A 68 -9.432 -4.962 -12.674 1.00 0.60 C ATOM 982 CG ASP A 68 -8.421 -6.092 -12.879 1.00 1.43 C ATOM 983 OD1 ASP A 68 -8.765 -7.228 -12.600 1.00 2.20 O ATOM 984 OD2 ASP A 68 -7.320 -5.801 -13.315 1.00 2.12 O ATOM 0 H ASP A 68 -7.768 -4.501 -10.896 1.00 0.54 H new ATOM 0 HA ASP A 68 -10.588 -4.115 -11.046 1.00 0.54 H new ATOM 0 HB2 ASP A 68 -10.309 -5.128 -13.299 1.00 0.60 H new ATOM 0 HB3 ASP A 68 -8.997 -4.011 -12.982 1.00 0.60 H new ATOM 989 N GLU A 69 -9.621 -7.156 -10.336 1.00 0.56 N ATOM 990 CA GLU A 69 -10.147 -8.495 -9.939 1.00 0.56 C ATOM 991 C GLU A 69 -10.684 -8.439 -8.510 1.00 0.55 C ATOM 992 O GLU A 69 -11.554 -9.204 -8.151 1.00 0.73 O ATOM 993 CB GLU A 69 -9.027 -9.536 -10.025 1.00 0.61 C ATOM 994 CG GLU A 69 -9.600 -10.941 -9.781 1.00 0.84 C ATOM 995 CD GLU A 69 -8.617 -11.995 -10.299 1.00 1.65 C ATOM 996 OE1 GLU A 69 -7.432 -11.843 -10.052 1.00 2.23 O ATOM 997 OE2 GLU A 69 -9.067 -12.936 -10.932 1.00 2.48 O ATOM 0 H GLU A 69 -8.615 -7.032 -10.221 1.00 0.56 H new ATOM 0 HA GLU A 69 -10.955 -8.775 -10.615 1.00 0.56 H new ATOM 0 HB2 GLU A 69 -8.552 -9.492 -11.005 1.00 0.61 H new ATOM 0 HB3 GLU A 69 -8.256 -9.315 -9.287 1.00 0.61 H new ATOM 0 HG2 GLU A 69 -9.782 -11.091 -8.717 1.00 0.84 H new ATOM 0 HG3 GLU A 69 -10.560 -11.046 -10.286 1.00 0.84 H new ATOM 1004 N LEU A 70 -10.181 -7.573 -7.670 1.00 0.53 N ATOM 1005 CA LEU A 70 -10.710 -7.556 -6.274 1.00 0.52 C ATOM 1006 C LEU A 70 -12.155 -7.045 -6.305 1.00 0.54 C ATOM 1007 O LEU A 70 -12.955 -7.369 -5.452 1.00 0.60 O ATOM 1008 CB LEU A 70 -9.843 -6.663 -5.370 1.00 0.61 C ATOM 1009 CG LEU A 70 -8.744 -7.478 -4.668 1.00 0.70 C ATOM 1010 CD1 LEU A 70 -7.838 -6.497 -3.918 1.00 1.38 C ATOM 1011 CD2 LEU A 70 -9.378 -8.479 -3.673 1.00 1.61 C ATOM 0 H LEU A 70 -9.448 -6.895 -7.880 1.00 0.53 H new ATOM 0 HA LEU A 70 -10.682 -8.565 -5.863 1.00 0.52 H new ATOM 0 HB2 LEU A 70 -9.388 -5.872 -5.966 1.00 0.61 H new ATOM 0 HB3 LEU A 70 -10.472 -6.178 -4.624 1.00 0.61 H new ATOM 0 HG LEU A 70 -8.168 -8.044 -5.400 1.00 0.70 H new ATOM 0 HD11 LEU A 70 -7.047 -7.048 -3.409 1.00 1.38 H new ATOM 0 HD12 LEU A 70 -7.395 -5.797 -4.626 1.00 1.38 H new ATOM 0 HD13 LEU A 70 -8.427 -5.947 -3.184 1.00 1.38 H new ATOM 0 HD21 LEU A 70 -8.591 -9.051 -3.181 1.00 1.61 H new ATOM 0 HD22 LEU A 70 -9.952 -7.933 -2.924 1.00 1.61 H new ATOM 0 HD23 LEU A 70 -10.038 -9.159 -4.212 1.00 1.61 H new ATOM 1023 N ASP A 71 -12.500 -6.271 -7.300 1.00 0.67 N ATOM 1024 CA ASP A 71 -13.899 -5.770 -7.399 1.00 0.91 C ATOM 1025 C ASP A 71 -14.802 -6.940 -7.793 1.00 1.02 C ATOM 1026 O ASP A 71 -16.013 -6.868 -7.747 1.00 1.29 O ATOM 1027 CB ASP A 71 -13.976 -4.680 -8.468 1.00 1.09 C ATOM 1028 CG ASP A 71 -13.041 -3.531 -8.087 1.00 1.66 C ATOM 1029 OD1 ASP A 71 -12.718 -3.419 -6.916 1.00 2.25 O ATOM 1030 OD2 ASP A 71 -12.663 -2.783 -8.973 1.00 2.36 O ATOM 0 H ASP A 71 -11.874 -5.966 -8.046 1.00 0.67 H new ATOM 0 HA ASP A 71 -14.219 -5.354 -6.444 1.00 0.91 H new ATOM 0 HB2 ASP A 71 -13.694 -5.087 -9.439 1.00 1.09 H new ATOM 0 HB3 ASP A 71 -14.999 -4.316 -8.560 1.00 1.09 H new ATOM 1035 N SER A 72 -14.186 -8.024 -8.178 1.00 0.90 N ATOM 1036 CA SER A 72 -14.932 -9.247 -8.588 1.00 1.20 C ATOM 1037 C SER A 72 -15.863 -9.734 -7.479 1.00 0.98 C ATOM 1038 O SER A 72 -16.797 -10.468 -7.738 1.00 1.02 O ATOM 1039 CB SER A 72 -13.921 -10.359 -8.866 1.00 1.57 C ATOM 1040 OG SER A 72 -14.605 -11.492 -9.384 1.00 2.09 O ATOM 0 H SER A 72 -13.171 -8.115 -8.226 1.00 0.90 H new ATOM 0 HA SER A 72 -15.526 -9.004 -9.469 1.00 1.20 H new ATOM 0 HB2 SER A 72 -13.171 -10.015 -9.578 1.00 1.57 H new ATOM 0 HB3 SER A 72 -13.393 -10.625 -7.950 1.00 1.57 H new ATOM 0 HG SER A 72 -13.961 -12.208 -9.566 1.00 2.09 H new ATOM 1046 N ASN A 73 -15.610 -9.369 -6.238 1.00 0.92 N ATOM 1047 CA ASN A 73 -16.484 -9.864 -5.118 1.00 0.83 C ATOM 1048 C ASN A 73 -17.410 -8.744 -4.639 1.00 0.75 C ATOM 1049 O ASN A 73 -16.958 -7.752 -4.102 1.00 1.07 O ATOM 1050 CB ASN A 73 -15.588 -10.306 -3.957 1.00 0.91 C ATOM 1051 CG ASN A 73 -14.641 -11.411 -4.432 1.00 1.43 C ATOM 1052 OD1 ASN A 73 -13.479 -11.163 -4.690 1.00 2.29 O ATOM 1053 ND2 ASN A 73 -15.091 -12.629 -4.558 1.00 1.90 N ATOM 0 H ASN A 73 -14.845 -8.757 -5.955 1.00 0.92 H new ATOM 0 HA ASN A 73 -17.090 -10.699 -5.471 1.00 0.83 H new ATOM 0 HB2 ASN A 73 -15.015 -9.458 -3.583 1.00 0.91 H new ATOM 0 HB3 ASN A 73 -16.199 -10.667 -3.130 1.00 0.91 H new ATOM 0 HD21 ASN A 73 -14.468 -13.373 -4.873 1.00 1.90 H new ATOM 0 HD22 ASN A 73 -16.066 -12.837 -4.342 1.00 1.90 H new ATOM 1060 N MET A 74 -18.693 -8.875 -4.828 1.00 0.71 N ATOM 1061 CA MET A 74 -19.613 -7.790 -4.376 1.00 0.67 C ATOM 1062 C MET A 74 -19.649 -7.745 -2.844 1.00 0.67 C ATOM 1063 O MET A 74 -20.238 -6.864 -2.250 1.00 0.71 O ATOM 1064 CB MET A 74 -21.014 -8.035 -4.934 1.00 0.75 C ATOM 1065 CG MET A 74 -20.948 -8.060 -6.463 1.00 1.20 C ATOM 1066 SD MET A 74 -20.580 -6.397 -7.079 1.00 1.92 S ATOM 1067 CE MET A 74 -20.197 -6.865 -8.785 1.00 1.96 C ATOM 0 H MET A 74 -19.143 -9.676 -5.271 1.00 0.71 H new ATOM 0 HA MET A 74 -19.251 -6.831 -4.746 1.00 0.67 H new ATOM 0 HB2 MET A 74 -21.408 -8.980 -4.559 1.00 0.75 H new ATOM 0 HB3 MET A 74 -21.694 -7.251 -4.600 1.00 0.75 H new ATOM 0 HG2 MET A 74 -20.180 -8.760 -6.793 1.00 1.20 H new ATOM 0 HG3 MET A 74 -21.896 -8.410 -6.873 1.00 1.20 H new ATOM 0 HE1 MET A 74 -19.937 -5.974 -9.357 1.00 1.96 H new ATOM 0 HE2 MET A 74 -19.356 -7.559 -8.792 1.00 1.96 H new ATOM 0 HE3 MET A 74 -21.067 -7.344 -9.235 1.00 1.96 H new ATOM 1077 N GLU A 75 -18.994 -8.672 -2.204 1.00 0.70 N ATOM 1078 CA GLU A 75 -18.947 -8.686 -0.718 1.00 0.75 C ATOM 1079 C GLU A 75 -17.961 -7.618 -0.229 1.00 0.73 C ATOM 1080 O GLU A 75 -18.327 -6.719 0.504 1.00 0.78 O ATOM 1081 CB GLU A 75 -18.478 -10.064 -0.251 1.00 0.87 C ATOM 1082 CG GLU A 75 -18.708 -10.198 1.253 1.00 1.15 C ATOM 1083 CD GLU A 75 -20.204 -10.356 1.528 1.00 1.70 C ATOM 1084 OE1 GLU A 75 -20.818 -11.193 0.888 1.00 2.29 O ATOM 1085 OE2 GLU A 75 -20.711 -9.634 2.371 1.00 2.21 O ATOM 0 H GLU A 75 -18.482 -9.431 -2.655 1.00 0.70 H new ATOM 0 HA GLU A 75 -19.937 -8.475 -0.314 1.00 0.75 H new ATOM 0 HB2 GLU A 75 -19.021 -10.845 -0.784 1.00 0.87 H new ATOM 0 HB3 GLU A 75 -17.421 -10.197 -0.481 1.00 0.87 H new ATOM 0 HG2 GLU A 75 -18.163 -11.059 1.640 1.00 1.15 H new ATOM 0 HG3 GLU A 75 -18.323 -9.319 1.770 1.00 1.15 H new ATOM 1092 N LEU A 76 -16.720 -7.696 -0.620 1.00 0.74 N ATOM 1093 CA LEU A 76 -15.740 -6.670 -0.163 1.00 0.80 C ATOM 1094 C LEU A 76 -16.250 -5.271 -0.525 1.00 0.75 C ATOM 1095 O LEU A 76 -15.911 -4.298 0.116 1.00 0.81 O ATOM 1096 CB LEU A 76 -14.369 -6.914 -0.806 1.00 0.92 C ATOM 1097 CG LEU A 76 -13.280 -6.117 -0.057 1.00 1.00 C ATOM 1098 CD1 LEU A 76 -12.757 -6.928 1.135 1.00 1.57 C ATOM 1099 CD2 LEU A 76 -12.112 -5.823 -1.006 1.00 1.51 C ATOM 0 H LEU A 76 -16.343 -8.420 -1.232 1.00 0.74 H new ATOM 0 HA LEU A 76 -15.632 -6.744 0.919 1.00 0.80 H new ATOM 0 HB2 LEU A 76 -14.132 -7.978 -0.783 1.00 0.92 H new ATOM 0 HB3 LEU A 76 -14.392 -6.616 -1.854 1.00 0.92 H new ATOM 0 HG LEU A 76 -13.714 -5.183 0.301 1.00 1.00 H new ATOM 0 HD11 LEU A 76 -11.989 -6.356 1.656 1.00 1.57 H new ATOM 0 HD12 LEU A 76 -13.578 -7.140 1.819 1.00 1.57 H new ATOM 0 HD13 LEU A 76 -12.331 -7.866 0.778 1.00 1.57 H new ATOM 0 HD21 LEU A 76 -11.344 -5.260 -0.475 1.00 1.51 H new ATOM 0 HD22 LEU A 76 -11.690 -6.762 -1.366 1.00 1.51 H new ATOM 0 HD23 LEU A 76 -12.470 -5.238 -1.853 1.00 1.51 H new ATOM 1111 N GLN A 77 -17.088 -5.159 -1.518 1.00 0.76 N ATOM 1112 CA GLN A 77 -17.637 -3.816 -1.869 1.00 0.74 C ATOM 1113 C GLN A 77 -18.787 -3.508 -0.911 1.00 0.71 C ATOM 1114 O GLN A 77 -19.024 -2.369 -0.552 1.00 0.72 O ATOM 1115 CB GLN A 77 -18.161 -3.812 -3.307 1.00 0.71 C ATOM 1116 CG GLN A 77 -17.007 -4.033 -4.285 1.00 1.26 C ATOM 1117 CD GLN A 77 -17.543 -3.976 -5.717 1.00 1.59 C ATOM 1118 OE1 GLN A 77 -16.835 -4.483 -6.688 1.00 2.35 O flip ATOM 1119 NE2 GLN A 77 -18.620 -3.466 -5.954 1.00 2.03 N flip ATOM 0 H GLN A 77 -17.415 -5.931 -2.098 1.00 0.76 H new ATOM 0 HA GLN A 77 -16.852 -3.065 -1.785 1.00 0.74 H new ATOM 0 HB2 GLN A 77 -18.909 -4.594 -3.432 1.00 0.71 H new ATOM 0 HB3 GLN A 77 -18.653 -2.863 -3.521 1.00 0.71 H new ATOM 0 HG2 GLN A 77 -16.241 -3.271 -4.140 1.00 1.26 H new ATOM 0 HG3 GLN A 77 -16.536 -4.998 -4.098 1.00 1.26 H new ATOM 0 HE21 GLN A 77 -19.174 -3.069 -5.195 1.00 2.03 H new ATOM 0 HE22 GLN A 77 -18.970 -3.435 -6.912 1.00 2.03 H new ATOM 1128 N ARG A 78 -19.496 -4.510 -0.477 1.00 0.72 N ATOM 1129 CA ARG A 78 -20.617 -4.261 0.467 1.00 0.73 C ATOM 1130 C ARG A 78 -20.053 -3.865 1.830 1.00 0.75 C ATOM 1131 O ARG A 78 -20.575 -2.992 2.496 1.00 0.79 O ATOM 1132 CB ARG A 78 -21.463 -5.527 0.618 1.00 0.74 C ATOM 1133 CG ARG A 78 -22.770 -5.189 1.359 1.00 0.94 C ATOM 1134 CD ARG A 78 -23.397 -6.467 1.944 1.00 1.23 C ATOM 1135 NE ARG A 78 -24.887 -6.415 1.801 1.00 1.80 N ATOM 1136 CZ ARG A 78 -25.566 -5.346 2.131 1.00 2.50 C ATOM 1137 NH1 ARG A 78 -24.979 -4.340 2.720 1.00 2.83 N ATOM 1138 NH2 ARG A 78 -26.852 -5.303 1.911 1.00 3.41 N ATOM 0 H ARG A 78 -19.349 -5.486 -0.734 1.00 0.72 H new ATOM 0 HA ARG A 78 -21.241 -3.457 0.078 1.00 0.73 H new ATOM 0 HB2 ARG A 78 -21.687 -5.946 -0.363 1.00 0.74 H new ATOM 0 HB3 ARG A 78 -20.906 -6.285 1.169 1.00 0.74 H new ATOM 0 HG2 ARG A 78 -22.569 -4.475 2.158 1.00 0.94 H new ATOM 0 HG3 ARG A 78 -23.471 -4.712 0.675 1.00 0.94 H new ATOM 0 HD2 ARG A 78 -23.004 -7.344 1.429 1.00 1.23 H new ATOM 0 HD3 ARG A 78 -23.127 -6.567 2.995 1.00 1.23 H new ATOM 0 HE ARG A 78 -25.383 -7.230 1.439 1.00 1.80 H new ATOM 0 HH11 ARG A 78 -23.981 -4.382 2.928 1.00 2.83 H new ATOM 0 HH12 ARG A 78 -25.518 -3.512 2.973 1.00 2.83 H new ATOM 0 HH21 ARG A 78 -27.323 -6.100 1.484 1.00 3.41 H new ATOM 0 HH22 ARG A 78 -27.386 -4.472 2.166 1.00 3.41 H new ATOM 1152 N MET A 79 -18.986 -4.487 2.256 1.00 0.75 N ATOM 1153 CA MET A 79 -18.398 -4.126 3.576 1.00 0.77 C ATOM 1154 C MET A 79 -17.895 -2.687 3.516 1.00 0.77 C ATOM 1155 O MET A 79 -18.183 -1.883 4.380 1.00 0.78 O ATOM 1156 CB MET A 79 -17.229 -5.066 3.888 1.00 0.81 C ATOM 1157 CG MET A 79 -17.757 -6.488 4.090 1.00 1.08 C ATOM 1158 SD MET A 79 -16.396 -7.572 4.591 1.00 1.07 S ATOM 1159 CE MET A 79 -16.563 -7.338 6.378 1.00 0.81 C ATOM 0 H MET A 79 -18.499 -5.226 1.749 1.00 0.75 H new ATOM 0 HA MET A 79 -19.153 -4.220 4.357 1.00 0.77 H new ATOM 0 HB2 MET A 79 -16.506 -5.048 3.072 1.00 0.81 H new ATOM 0 HB3 MET A 79 -16.707 -4.730 4.784 1.00 0.81 H new ATOM 0 HG2 MET A 79 -18.538 -6.493 4.850 1.00 1.08 H new ATOM 0 HG3 MET A 79 -18.207 -6.855 3.168 1.00 1.08 H new ATOM 0 HE1 MET A 79 -15.631 -7.618 6.870 1.00 0.81 H new ATOM 0 HE2 MET A 79 -16.785 -6.292 6.589 1.00 0.81 H new ATOM 0 HE3 MET A 79 -17.373 -7.963 6.753 1.00 0.81 H new ATOM 1169 N ILE A 80 -17.148 -2.351 2.500 1.00 0.77 N ATOM 1170 CA ILE A 80 -16.641 -0.958 2.393 1.00 0.80 C ATOM 1171 C ILE A 80 -17.828 0.001 2.507 1.00 0.80 C ATOM 1172 O ILE A 80 -17.691 1.138 2.894 1.00 0.83 O ATOM 1173 CB ILE A 80 -15.919 -0.773 1.057 1.00 0.82 C ATOM 1174 CG1 ILE A 80 -14.648 -1.633 1.055 1.00 0.84 C ATOM 1175 CG2 ILE A 80 -15.534 0.698 0.881 1.00 0.89 C ATOM 1176 CD1 ILE A 80 -14.099 -1.739 -0.368 1.00 1.10 C ATOM 0 H ILE A 80 -16.869 -2.978 1.745 1.00 0.77 H new ATOM 0 HA ILE A 80 -15.931 -0.749 3.193 1.00 0.80 H new ATOM 0 HB ILE A 80 -16.575 -1.075 0.240 1.00 0.82 H new ATOM 0 HG12 ILE A 80 -13.898 -1.192 1.712 1.00 0.84 H new ATOM 0 HG13 ILE A 80 -14.869 -2.627 1.445 1.00 0.84 H new ATOM 0 HG21 ILE A 80 -15.020 0.828 -0.071 1.00 0.89 H new ATOM 0 HG22 ILE A 80 -16.433 1.314 0.895 1.00 0.89 H new ATOM 0 HG23 ILE A 80 -14.874 1.001 1.694 1.00 0.89 H new ATOM 0 HD11 ILE A 80 -13.197 -2.350 -0.365 1.00 1.10 H new ATOM 0 HD12 ILE A 80 -14.847 -2.199 -1.013 1.00 1.10 H new ATOM 0 HD13 ILE A 80 -13.861 -0.743 -0.741 1.00 1.10 H new ATOM 1188 N ALA A 81 -19.000 -0.441 2.147 1.00 0.78 N ATOM 1189 CA ALA A 81 -20.187 0.455 2.238 1.00 0.80 C ATOM 1190 C ALA A 81 -20.712 0.455 3.680 1.00 0.81 C ATOM 1191 O ALA A 81 -21.479 1.312 4.069 1.00 0.85 O ATOM 1192 CB ALA A 81 -21.281 -0.059 1.305 1.00 0.79 C ATOM 0 H ALA A 81 -19.188 -1.380 1.795 1.00 0.78 H new ATOM 0 HA ALA A 81 -19.904 1.467 1.949 1.00 0.80 H new ATOM 0 HB1 ALA A 81 -22.151 0.595 1.369 1.00 0.79 H new ATOM 0 HB2 ALA A 81 -20.910 -0.069 0.280 1.00 0.79 H new ATOM 0 HB3 ALA A 81 -21.564 -1.070 1.598 1.00 0.79 H new ATOM 1198 N ALA A 82 -20.313 -0.509 4.468 1.00 0.78 N ATOM 1199 CA ALA A 82 -20.798 -0.580 5.880 1.00 0.80 C ATOM 1200 C ALA A 82 -19.983 0.358 6.781 1.00 0.79 C ATOM 1201 O ALA A 82 -20.398 0.686 7.875 1.00 0.83 O ATOM 1202 CB ALA A 82 -20.655 -2.016 6.390 1.00 0.87 C ATOM 0 H ALA A 82 -19.670 -1.252 4.195 1.00 0.78 H new ATOM 0 HA ALA A 82 -21.843 -0.272 5.907 1.00 0.80 H new ATOM 0 HB1 ALA A 82 -21.007 -2.073 7.420 1.00 0.87 H new ATOM 0 HB2 ALA A 82 -21.248 -2.685 5.766 1.00 0.87 H new ATOM 0 HB3 ALA A 82 -19.607 -2.314 6.348 1.00 0.87 H new ATOM 1208 N VAL A 83 -18.832 0.799 6.342 1.00 0.80 N ATOM 1209 CA VAL A 83 -18.013 1.722 7.199 1.00 0.85 C ATOM 1210 C VAL A 83 -18.452 3.172 6.932 1.00 0.99 C ATOM 1211 O VAL A 83 -17.970 3.838 6.036 1.00 1.36 O ATOM 1212 CB VAL A 83 -16.495 1.541 6.911 1.00 0.97 C ATOM 1213 CG1 VAL A 83 -15.846 0.676 8.000 1.00 1.81 C ATOM 1214 CG2 VAL A 83 -16.291 0.849 5.567 1.00 1.40 C ATOM 0 H VAL A 83 -18.423 0.566 5.437 1.00 0.80 H new ATOM 0 HA VAL A 83 -18.177 1.482 8.250 1.00 0.85 H new ATOM 0 HB VAL A 83 -16.035 2.529 6.896 1.00 0.97 H new ATOM 0 HG11 VAL A 83 -14.784 0.558 7.786 1.00 1.81 H new ATOM 0 HG12 VAL A 83 -15.969 1.159 8.970 1.00 1.81 H new ATOM 0 HG13 VAL A 83 -16.324 -0.304 8.019 1.00 1.81 H new ATOM 0 HG21 VAL A 83 -15.224 0.729 5.378 1.00 1.40 H new ATOM 0 HG22 VAL A 83 -16.769 -0.130 5.586 1.00 1.40 H new ATOM 0 HG23 VAL A 83 -16.734 1.454 4.776 1.00 1.40 H new ATOM 1273 N PRO A 88 -10.249 8.418 8.850 1.00 0.77 N ATOM 1274 CA PRO A 88 -9.157 8.047 7.915 1.00 0.83 C ATOM 1275 C PRO A 88 -7.814 7.802 8.640 1.00 0.73 C ATOM 1276 O PRO A 88 -7.169 6.796 8.428 1.00 0.72 O ATOM 1277 CB PRO A 88 -9.028 9.263 6.967 1.00 1.01 C ATOM 1278 CG PRO A 88 -9.854 10.421 7.586 1.00 1.07 C ATOM 1279 CD PRO A 88 -10.718 9.820 8.713 1.00 0.83 C ATOM 0 HA PRO A 88 -9.387 7.115 7.399 1.00 0.83 H new ATOM 0 HB2 PRO A 88 -7.983 9.553 6.855 1.00 1.01 H new ATOM 0 HB3 PRO A 88 -9.399 9.016 5.972 1.00 1.01 H new ATOM 0 HG2 PRO A 88 -9.195 11.195 7.979 1.00 1.07 H new ATOM 0 HG3 PRO A 88 -10.483 10.891 6.830 1.00 1.07 H new ATOM 0 HD2 PRO A 88 -10.591 10.372 9.645 1.00 0.83 H new ATOM 0 HD3 PRO A 88 -11.778 9.859 8.461 1.00 0.83 H new ATOM 1287 N ARG A 89 -7.362 8.733 9.440 1.00 0.75 N ATOM 1288 CA ARG A 89 -6.032 8.567 10.110 1.00 0.73 C ATOM 1289 C ARG A 89 -6.087 7.543 11.250 1.00 0.67 C ATOM 1290 O ARG A 89 -5.238 6.680 11.357 1.00 0.68 O ATOM 1291 CB ARG A 89 -5.574 9.920 10.660 1.00 0.79 C ATOM 1292 CG ARG A 89 -6.546 10.395 11.745 1.00 1.63 C ATOM 1293 CD ARG A 89 -6.341 11.888 12.008 1.00 1.65 C ATOM 1294 NE ARG A 89 -6.986 12.249 13.302 1.00 2.07 N ATOM 1295 CZ ARG A 89 -6.697 13.381 13.883 1.00 2.47 C ATOM 1296 NH1 ARG A 89 -5.851 14.203 13.326 1.00 2.69 N ATOM 1297 NH2 ARG A 89 -7.256 13.689 15.021 1.00 3.10 N ATOM 0 H ARG A 89 -7.853 9.600 9.660 1.00 0.75 H new ATOM 0 HA ARG A 89 -5.325 8.197 9.367 1.00 0.73 H new ATOM 0 HB2 ARG A 89 -4.569 9.834 11.072 1.00 0.79 H new ATOM 0 HB3 ARG A 89 -5.527 10.653 9.855 1.00 0.79 H new ATOM 0 HG2 ARG A 89 -7.573 10.209 11.432 1.00 1.63 H new ATOM 0 HG3 ARG A 89 -6.385 9.829 12.663 1.00 1.63 H new ATOM 0 HD2 ARG A 89 -5.277 12.121 12.041 1.00 1.65 H new ATOM 0 HD3 ARG A 89 -6.771 12.475 11.197 1.00 1.65 H new ATOM 0 HE ARG A 89 -7.654 11.611 13.734 1.00 2.07 H new ATOM 0 HH11 ARG A 89 -5.415 13.961 12.436 1.00 2.69 H new ATOM 0 HH12 ARG A 89 -5.625 15.088 13.780 1.00 2.69 H new ATOM 0 HH21 ARG A 89 -7.918 13.045 15.455 1.00 3.10 H new ATOM 0 HH22 ARG A 89 -7.031 14.573 15.477 1.00 3.10 H new ATOM 1311 N GLU A 90 -7.063 7.631 12.105 1.00 0.65 N ATOM 1312 CA GLU A 90 -7.148 6.661 13.235 1.00 0.65 C ATOM 1313 C GLU A 90 -7.278 5.241 12.663 1.00 0.64 C ATOM 1314 O GLU A 90 -6.539 4.351 13.036 1.00 0.67 O ATOM 1315 CB GLU A 90 -8.362 7.038 14.115 1.00 0.71 C ATOM 1316 CG GLU A 90 -9.076 5.791 14.656 1.00 1.32 C ATOM 1317 CD GLU A 90 -10.070 6.200 15.744 1.00 2.02 C ATOM 1318 OE1 GLU A 90 -9.653 6.330 16.882 1.00 2.46 O ATOM 1319 OE2 GLU A 90 -11.234 6.375 15.420 1.00 2.78 O ATOM 0 H GLU A 90 -7.806 8.330 12.073 1.00 0.65 H new ATOM 0 HA GLU A 90 -6.251 6.694 13.854 1.00 0.65 H new ATOM 0 HB2 GLU A 90 -8.030 7.658 14.948 1.00 0.71 H new ATOM 0 HB3 GLU A 90 -9.063 7.636 13.532 1.00 0.71 H new ATOM 0 HG2 GLU A 90 -9.597 5.279 13.847 1.00 1.32 H new ATOM 0 HG3 GLU A 90 -8.347 5.089 15.061 1.00 1.32 H new ATOM 1326 N VAL A 91 -8.209 5.012 11.787 1.00 0.64 N ATOM 1327 CA VAL A 91 -8.374 3.639 11.229 1.00 0.67 C ATOM 1328 C VAL A 91 -7.132 3.250 10.427 1.00 0.66 C ATOM 1329 O VAL A 91 -6.631 2.149 10.533 1.00 0.67 O ATOM 1330 CB VAL A 91 -9.608 3.612 10.326 1.00 0.71 C ATOM 1331 CG1 VAL A 91 -9.855 2.190 9.815 1.00 0.80 C ATOM 1332 CG2 VAL A 91 -10.823 4.069 11.136 1.00 0.75 C ATOM 0 H VAL A 91 -8.863 5.710 11.432 1.00 0.64 H new ATOM 0 HA VAL A 91 -8.502 2.926 12.043 1.00 0.67 H new ATOM 0 HB VAL A 91 -9.447 4.275 9.476 1.00 0.71 H new ATOM 0 HG11 VAL A 91 -10.736 2.182 9.173 1.00 0.80 H new ATOM 0 HG12 VAL A 91 -8.989 1.852 9.247 1.00 0.80 H new ATOM 0 HG13 VAL A 91 -10.017 1.522 10.661 1.00 0.80 H new ATOM 0 HG21 VAL A 91 -11.710 4.054 10.502 1.00 0.75 H new ATOM 0 HG22 VAL A 91 -10.970 3.397 11.982 1.00 0.75 H new ATOM 0 HG23 VAL A 91 -10.656 5.082 11.502 1.00 0.75 H new ATOM 1342 N PHE A 92 -6.634 4.146 9.623 1.00 0.64 N ATOM 1343 CA PHE A 92 -5.429 3.829 8.810 1.00 0.65 C ATOM 1344 C PHE A 92 -4.313 3.293 9.717 1.00 0.62 C ATOM 1345 O PHE A 92 -3.652 2.329 9.386 1.00 0.67 O ATOM 1346 CB PHE A 92 -4.952 5.098 8.090 1.00 0.65 C ATOM 1347 CG PHE A 92 -3.581 4.865 7.494 1.00 0.65 C ATOM 1348 CD1 PHE A 92 -2.440 5.061 8.280 1.00 1.31 C ATOM 1349 CD2 PHE A 92 -3.452 4.449 6.163 1.00 1.44 C ATOM 1350 CE1 PHE A 92 -1.170 4.842 7.737 1.00 1.31 C ATOM 1351 CE2 PHE A 92 -2.180 4.229 5.620 1.00 1.47 C ATOM 1352 CZ PHE A 92 -1.039 4.425 6.407 1.00 0.73 C ATOM 0 H PHE A 92 -7.010 5.085 9.494 1.00 0.64 H new ATOM 0 HA PHE A 92 -5.681 3.067 8.072 1.00 0.65 H new ATOM 0 HB2 PHE A 92 -5.658 5.369 7.305 1.00 0.65 H new ATOM 0 HB3 PHE A 92 -4.917 5.933 8.790 1.00 0.65 H new ATOM 0 HD1 PHE A 92 -2.540 5.382 9.306 1.00 1.31 H new ATOM 0 HD2 PHE A 92 -4.332 4.298 5.556 1.00 1.44 H new ATOM 0 HE1 PHE A 92 -0.290 4.995 8.344 1.00 1.31 H new ATOM 0 HE2 PHE A 92 -2.079 3.908 4.594 1.00 1.47 H new ATOM 0 HZ PHE A 92 -0.058 4.255 5.988 1.00 0.73 H new ATOM 1362 N PHE A 93 -4.080 3.910 10.847 1.00 0.58 N ATOM 1363 CA PHE A 93 -2.988 3.418 11.739 1.00 0.57 C ATOM 1364 C PHE A 93 -3.498 2.232 12.559 1.00 0.59 C ATOM 1365 O PHE A 93 -2.756 1.323 12.876 1.00 0.60 O ATOM 1366 CB PHE A 93 -2.532 4.549 12.665 1.00 0.57 C ATOM 1367 CG PHE A 93 -1.450 4.051 13.593 1.00 0.56 C ATOM 1368 CD1 PHE A 93 -0.108 4.116 13.201 1.00 1.15 C ATOM 1369 CD2 PHE A 93 -1.788 3.535 14.850 1.00 1.47 C ATOM 1370 CE1 PHE A 93 0.897 3.662 14.065 1.00 1.07 C ATOM 1371 CE2 PHE A 93 -0.784 3.083 15.714 1.00 1.58 C ATOM 1372 CZ PHE A 93 0.559 3.146 15.322 1.00 0.70 C ATOM 0 H PHE A 93 -4.592 4.724 11.188 1.00 0.58 H new ATOM 0 HA PHE A 93 -2.139 3.094 11.137 1.00 0.57 H new ATOM 0 HB2 PHE A 93 -2.159 5.386 12.074 1.00 0.57 H new ATOM 0 HB3 PHE A 93 -3.378 4.919 13.244 1.00 0.57 H new ATOM 0 HD1 PHE A 93 0.153 4.516 12.232 1.00 1.15 H new ATOM 0 HD2 PHE A 93 -2.824 3.486 15.153 1.00 1.47 H new ATOM 0 HE1 PHE A 93 1.932 3.710 13.762 1.00 1.07 H new ATOM 0 HE2 PHE A 93 -1.045 2.685 16.684 1.00 1.58 H new ATOM 0 HZ PHE A 93 1.333 2.797 15.989 1.00 0.70 H new ATOM 1382 N ARG A 94 -4.757 2.222 12.900 1.00 0.62 N ATOM 1383 CA ARG A 94 -5.297 1.081 13.691 1.00 0.67 C ATOM 1384 C ARG A 94 -5.331 -0.170 12.814 1.00 0.66 C ATOM 1385 O ARG A 94 -4.805 -1.202 13.183 1.00 0.67 O ATOM 1386 CB ARG A 94 -6.708 1.410 14.191 1.00 0.72 C ATOM 1387 CG ARG A 94 -7.142 0.392 15.261 1.00 0.89 C ATOM 1388 CD ARG A 94 -7.452 -0.981 14.626 1.00 1.00 C ATOM 1389 NE ARG A 94 -8.614 -1.609 15.333 1.00 1.95 N ATOM 1390 CZ ARG A 94 -8.674 -1.646 16.640 1.00 2.64 C ATOM 1391 NH1 ARG A 94 -7.650 -1.282 17.361 1.00 2.76 N ATOM 1392 NH2 ARG A 94 -9.748 -2.100 17.227 1.00 3.65 N ATOM 0 H ARG A 94 -5.432 2.950 12.667 1.00 0.62 H new ATOM 0 HA ARG A 94 -4.654 0.902 14.553 1.00 0.67 H new ATOM 0 HB2 ARG A 94 -6.729 2.417 14.607 1.00 0.72 H new ATOM 0 HB3 ARG A 94 -7.410 1.395 13.357 1.00 0.72 H new ATOM 0 HG2 ARG A 94 -6.353 0.283 16.005 1.00 0.89 H new ATOM 0 HG3 ARG A 94 -8.024 0.762 15.784 1.00 0.89 H new ATOM 0 HD2 ARG A 94 -7.679 -0.860 13.567 1.00 1.00 H new ATOM 0 HD3 ARG A 94 -6.579 -1.630 14.693 1.00 1.00 H new ATOM 0 HE ARG A 94 -9.373 -2.015 14.786 1.00 1.95 H new ATOM 0 HH11 ARG A 94 -6.793 -0.965 16.907 1.00 2.76 H new ATOM 0 HH12 ARG A 94 -7.706 -1.314 18.379 1.00 2.76 H new ATOM 0 HH21 ARG A 94 -10.537 -2.424 16.667 1.00 3.65 H new ATOM 0 HH22 ARG A 94 -9.798 -2.130 18.245 1.00 3.65 H new ATOM 1406 N VAL A 95 -5.929 -0.107 11.661 1.00 0.65 N ATOM 1407 CA VAL A 95 -5.968 -1.313 10.787 1.00 0.66 C ATOM 1408 C VAL A 95 -4.545 -1.714 10.398 1.00 0.66 C ATOM 1409 O VAL A 95 -4.201 -2.879 10.385 1.00 0.67 O ATOM 1410 CB VAL A 95 -6.766 -0.985 9.519 1.00 0.64 C ATOM 1411 CG1 VAL A 95 -6.646 -2.130 8.504 1.00 1.27 C ATOM 1412 CG2 VAL A 95 -8.236 -0.780 9.889 1.00 1.08 C ATOM 0 H VAL A 95 -6.391 0.721 11.285 1.00 0.65 H new ATOM 0 HA VAL A 95 -6.441 -2.137 11.322 1.00 0.66 H new ATOM 0 HB VAL A 95 -6.367 -0.075 9.070 1.00 0.64 H new ATOM 0 HG11 VAL A 95 -7.217 -1.884 7.609 1.00 1.27 H new ATOM 0 HG12 VAL A 95 -5.599 -2.272 8.238 1.00 1.27 H new ATOM 0 HG13 VAL A 95 -7.037 -3.048 8.943 1.00 1.27 H new ATOM 0 HG21 VAL A 95 -8.808 -0.546 8.991 1.00 1.08 H new ATOM 0 HG22 VAL A 95 -8.628 -1.691 10.342 1.00 1.08 H new ATOM 0 HG23 VAL A 95 -8.321 0.044 10.598 1.00 1.08 H new ATOM 1422 N ALA A 96 -3.723 -0.765 10.044 1.00 0.65 N ATOM 1423 CA ALA A 96 -2.341 -1.117 9.623 1.00 0.68 C ATOM 1424 C ALA A 96 -1.638 -1.878 10.743 1.00 0.70 C ATOM 1425 O ALA A 96 -0.907 -2.818 10.514 1.00 0.76 O ATOM 1426 CB ALA A 96 -1.570 0.162 9.278 1.00 0.69 C ATOM 0 H ALA A 96 -3.947 0.230 10.028 1.00 0.65 H new ATOM 0 HA ALA A 96 -2.379 -1.755 8.740 1.00 0.68 H new ATOM 0 HB1 ALA A 96 -0.557 -0.096 8.969 1.00 0.69 H new ATOM 0 HB2 ALA A 96 -2.075 0.683 8.465 1.00 0.69 H new ATOM 0 HB3 ALA A 96 -1.529 0.809 10.154 1.00 0.69 H new ATOM 1432 N ALA A 97 -1.879 -1.470 11.962 1.00 0.74 N ATOM 1433 CA ALA A 97 -1.252 -2.152 13.127 1.00 0.78 C ATOM 1434 C ALA A 97 -1.941 -3.499 13.347 1.00 0.79 C ATOM 1435 O ALA A 97 -1.350 -4.441 13.836 1.00 0.83 O ATOM 1436 CB ALA A 97 -1.420 -1.280 14.375 1.00 0.77 C ATOM 0 H ALA A 97 -2.488 -0.687 12.199 1.00 0.74 H new ATOM 0 HA ALA A 97 -0.190 -2.310 12.937 1.00 0.78 H new ATOM 0 HB1 ALA A 97 -0.962 -1.777 15.230 1.00 0.77 H new ATOM 0 HB2 ALA A 97 -0.937 -0.316 14.213 1.00 0.77 H new ATOM 0 HB3 ALA A 97 -2.481 -1.126 14.571 1.00 0.77 H new ATOM 1442 N ASP A 98 -3.192 -3.593 12.986 1.00 0.78 N ATOM 1443 CA ASP A 98 -3.930 -4.873 13.170 1.00 0.82 C ATOM 1444 C ASP A 98 -3.375 -5.934 12.215 1.00 0.83 C ATOM 1445 O ASP A 98 -3.207 -7.076 12.594 1.00 0.88 O ATOM 1446 CB ASP A 98 -5.421 -4.654 12.901 1.00 0.82 C ATOM 1447 CG ASP A 98 -6.199 -5.922 13.259 1.00 1.47 C ATOM 1448 OD1 ASP A 98 -5.939 -6.946 12.648 1.00 2.13 O ATOM 1449 OD2 ASP A 98 -7.043 -5.847 14.137 1.00 2.19 O ATOM 0 H ASP A 98 -3.735 -2.836 12.571 1.00 0.78 H new ATOM 0 HA ASP A 98 -3.801 -5.218 14.196 1.00 0.82 H new ATOM 0 HB2 ASP A 98 -5.787 -3.812 13.489 1.00 0.82 H new ATOM 0 HB3 ASP A 98 -5.579 -4.403 11.852 1.00 0.82 H new ATOM 1454 N MET A 99 -3.102 -5.592 10.982 1.00 0.81 N ATOM 1455 CA MET A 99 -2.576 -6.623 10.034 1.00 0.85 C ATOM 1456 C MET A 99 -1.429 -7.392 10.700 1.00 0.97 C ATOM 1457 O MET A 99 -1.264 -8.581 10.508 1.00 1.14 O ATOM 1458 CB MET A 99 -2.065 -5.944 8.761 1.00 0.79 C ATOM 1459 CG MET A 99 -3.231 -5.264 8.041 1.00 0.81 C ATOM 1460 SD MET A 99 -2.679 -4.684 6.418 1.00 0.97 S ATOM 1461 CE MET A 99 -4.012 -3.493 6.139 1.00 0.48 C ATOM 0 H MET A 99 -3.218 -4.656 10.593 1.00 0.81 H new ATOM 0 HA MET A 99 -3.377 -7.315 9.775 1.00 0.85 H new ATOM 0 HB2 MET A 99 -1.300 -5.209 9.010 1.00 0.79 H new ATOM 0 HB3 MET A 99 -1.599 -6.680 8.106 1.00 0.79 H new ATOM 0 HG2 MET A 99 -4.060 -5.963 7.927 1.00 0.81 H new ATOM 0 HG3 MET A 99 -3.599 -4.426 8.633 1.00 0.81 H new ATOM 0 HE1 MET A 99 -4.051 -3.232 5.082 1.00 0.48 H new ATOM 0 HE2 MET A 99 -4.963 -3.934 6.439 1.00 0.48 H new ATOM 0 HE3 MET A 99 -3.827 -2.595 6.728 1.00 0.48 H new ATOM 1600 N ARG A 109 0.512 -7.454 3.945 1.00 0.86 N ATOM 1601 CA ARG A 109 0.632 -6.072 4.492 1.00 0.87 C ATOM 1602 C ARG A 109 0.965 -5.089 3.375 1.00 0.70 C ATOM 1603 O ARG A 109 0.312 -4.081 3.189 1.00 0.81 O ATOM 1604 CB ARG A 109 1.809 -6.086 5.488 1.00 1.08 C ATOM 1605 CG ARG A 109 2.270 -4.660 5.847 1.00 1.48 C ATOM 1606 CD ARG A 109 3.359 -4.731 6.927 1.00 1.96 C ATOM 1607 NE ARG A 109 4.666 -5.028 6.272 1.00 2.74 N ATOM 1608 CZ ARG A 109 5.786 -4.845 6.917 1.00 3.19 C ATOM 1609 NH1 ARG A 109 5.772 -4.402 8.144 1.00 3.19 N ATOM 1610 NH2 ARG A 109 6.923 -5.105 6.330 1.00 4.08 N ATOM 0 HA ARG A 109 -0.304 -5.770 4.963 1.00 0.87 H new ATOM 0 HB2 ARG A 109 1.511 -6.611 6.395 1.00 1.08 H new ATOM 0 HB3 ARG A 109 2.643 -6.640 5.058 1.00 1.08 H new ATOM 0 HG2 ARG A 109 2.655 -4.157 4.960 1.00 1.48 H new ATOM 0 HG3 ARG A 109 1.425 -4.073 6.206 1.00 1.48 H new ATOM 0 HD2 ARG A 109 3.415 -3.787 7.470 1.00 1.96 H new ATOM 0 HD3 ARG A 109 3.118 -5.504 7.656 1.00 1.96 H new ATOM 0 HE ARG A 109 4.685 -5.376 5.314 1.00 2.74 H new ATOM 0 HH11 ARG A 109 4.884 -4.198 8.602 1.00 3.19 H new ATOM 0 HH12 ARG A 109 6.649 -4.260 8.645 1.00 3.19 H new ATOM 0 HH21 ARG A 109 6.934 -5.450 5.370 1.00 4.08 H new ATOM 0 HH22 ARG A 109 7.800 -4.963 6.831 1.00 4.08 H new ATOM 1624 N VAL A 110 2.027 -5.356 2.675 1.00 0.60 N ATOM 1625 CA VAL A 110 2.475 -4.426 1.611 1.00 0.68 C ATOM 1626 C VAL A 110 1.363 -4.164 0.597 1.00 0.56 C ATOM 1627 O VAL A 110 1.091 -3.027 0.258 1.00 0.60 O ATOM 1628 CB VAL A 110 3.691 -5.016 0.897 1.00 0.88 C ATOM 1629 CG1 VAL A 110 4.144 -4.067 -0.213 1.00 1.27 C ATOM 1630 CG2 VAL A 110 4.830 -5.207 1.901 1.00 1.73 C ATOM 0 H VAL A 110 2.608 -6.186 2.796 1.00 0.60 H new ATOM 0 HA VAL A 110 2.740 -3.477 2.077 1.00 0.68 H new ATOM 0 HB VAL A 110 3.423 -5.979 0.463 1.00 0.88 H new ATOM 0 HG11 VAL A 110 5.011 -4.489 -0.721 1.00 1.27 H new ATOM 0 HG12 VAL A 110 3.334 -3.932 -0.929 1.00 1.27 H new ATOM 0 HG13 VAL A 110 4.411 -3.103 0.219 1.00 1.27 H new ATOM 0 HG21 VAL A 110 5.697 -5.628 1.392 1.00 1.73 H new ATOM 0 HG22 VAL A 110 5.097 -4.244 2.336 1.00 1.73 H new ATOM 0 HG23 VAL A 110 4.509 -5.886 2.691 1.00 1.73 H new ATOM 1640 N VAL A 111 0.741 -5.187 0.057 1.00 0.51 N ATOM 1641 CA VAL A 111 -0.303 -4.926 -0.984 1.00 0.50 C ATOM 1642 C VAL A 111 -1.630 -4.545 -0.322 1.00 0.46 C ATOM 1643 O VAL A 111 -2.344 -3.683 -0.792 1.00 0.47 O ATOM 1644 CB VAL A 111 -0.481 -6.178 -1.840 1.00 0.58 C ATOM 1645 CG1 VAL A 111 -1.445 -5.887 -2.986 1.00 1.41 C ATOM 1646 CG2 VAL A 111 0.874 -6.613 -2.406 1.00 1.36 C ATOM 0 H VAL A 111 0.906 -6.167 0.285 1.00 0.51 H new ATOM 0 HA VAL A 111 0.015 -4.096 -1.615 1.00 0.50 H new ATOM 0 HB VAL A 111 -0.888 -6.979 -1.223 1.00 0.58 H new ATOM 0 HG11 VAL A 111 -1.569 -6.783 -3.594 1.00 1.41 H new ATOM 0 HG12 VAL A 111 -2.411 -5.587 -2.581 1.00 1.41 H new ATOM 0 HG13 VAL A 111 -1.045 -5.083 -3.603 1.00 1.41 H new ATOM 0 HG21 VAL A 111 0.743 -7.507 -3.016 1.00 1.36 H new ATOM 0 HG22 VAL A 111 1.286 -5.812 -3.019 1.00 1.36 H new ATOM 0 HG23 VAL A 111 1.558 -6.831 -1.586 1.00 1.36 H new ATOM 1656 N ALA A 112 -1.962 -5.185 0.770 1.00 0.45 N ATOM 1657 CA ALA A 112 -3.243 -4.870 1.471 1.00 0.47 C ATOM 1658 C ALA A 112 -3.210 -3.431 1.992 1.00 0.46 C ATOM 1659 O ALA A 112 -4.235 -2.846 2.283 1.00 0.54 O ATOM 1660 CB ALA A 112 -3.442 -5.841 2.638 1.00 0.53 C ATOM 0 H ALA A 112 -1.399 -5.914 1.208 1.00 0.45 H new ATOM 0 HA ALA A 112 -4.072 -4.975 0.771 1.00 0.47 H new ATOM 0 HB1 ALA A 112 -4.377 -5.610 3.148 1.00 0.53 H new ATOM 0 HB2 ALA A 112 -3.478 -6.862 2.259 1.00 0.53 H new ATOM 0 HB3 ALA A 112 -2.613 -5.743 3.338 1.00 0.53 H new ATOM 1666 N LEU A 113 -2.050 -2.847 2.094 1.00 0.43 N ATOM 1667 CA LEU A 113 -1.965 -1.438 2.576 1.00 0.43 C ATOM 1668 C LEU A 113 -2.264 -0.502 1.402 1.00 0.42 C ATOM 1669 O LEU A 113 -3.202 0.270 1.430 1.00 0.45 O ATOM 1670 CB LEU A 113 -0.549 -1.173 3.105 1.00 0.44 C ATOM 1671 CG LEU A 113 -0.378 0.307 3.479 1.00 0.51 C ATOM 1672 CD1 LEU A 113 -1.495 0.747 4.439 1.00 1.45 C ATOM 1673 CD2 LEU A 113 0.983 0.488 4.157 1.00 1.27 C ATOM 0 H LEU A 113 -1.157 -3.283 1.865 1.00 0.43 H new ATOM 0 HA LEU A 113 -2.685 -1.266 3.376 1.00 0.43 H new ATOM 0 HB2 LEU A 113 -0.358 -1.798 3.977 1.00 0.44 H new ATOM 0 HB3 LEU A 113 0.185 -1.449 2.348 1.00 0.44 H new ATOM 0 HG LEU A 113 -0.434 0.918 2.578 1.00 0.51 H new ATOM 0 HD11 LEU A 113 -1.361 1.798 4.696 1.00 1.45 H new ATOM 0 HD12 LEU A 113 -2.463 0.612 3.957 1.00 1.45 H new ATOM 0 HD13 LEU A 113 -1.454 0.144 5.346 1.00 1.45 H new ATOM 0 HD21 LEU A 113 1.118 1.535 4.428 1.00 1.27 H new ATOM 0 HD22 LEU A 113 1.027 -0.128 5.055 1.00 1.27 H new ATOM 0 HD23 LEU A 113 1.774 0.186 3.471 1.00 1.27 H new ATOM 1685 N PHE A 114 -1.487 -0.590 0.360 1.00 0.40 N ATOM 1686 CA PHE A 114 -1.723 0.259 -0.843 1.00 0.40 C ATOM 1687 C PHE A 114 -3.181 0.153 -1.306 1.00 0.39 C ATOM 1688 O PHE A 114 -3.801 1.134 -1.664 1.00 0.41 O ATOM 1689 CB PHE A 114 -0.797 -0.210 -1.971 1.00 0.41 C ATOM 1690 CG PHE A 114 0.649 -0.299 -1.493 1.00 0.44 C ATOM 1691 CD1 PHE A 114 1.145 0.542 -0.472 1.00 1.29 C ATOM 1692 CD2 PHE A 114 1.506 -1.231 -2.091 1.00 1.27 C ATOM 1693 CE1 PHE A 114 2.480 0.437 -0.064 1.00 1.38 C ATOM 1694 CE2 PHE A 114 2.841 -1.329 -1.680 1.00 1.27 C ATOM 1695 CZ PHE A 114 3.327 -0.497 -0.667 1.00 0.68 C ATOM 0 H PHE A 114 -0.689 -1.221 0.288 1.00 0.40 H new ATOM 0 HA PHE A 114 -1.516 1.298 -0.589 1.00 0.40 H new ATOM 0 HB2 PHE A 114 -1.124 -1.185 -2.333 1.00 0.41 H new ATOM 0 HB3 PHE A 114 -0.864 0.481 -2.811 1.00 0.41 H new ATOM 0 HD1 PHE A 114 0.494 1.267 -0.006 1.00 1.29 H new ATOM 0 HD2 PHE A 114 1.136 -1.877 -2.873 1.00 1.27 H new ATOM 0 HE1 PHE A 114 2.856 1.079 0.719 1.00 1.38 H new ATOM 0 HE2 PHE A 114 3.497 -2.049 -2.147 1.00 1.27 H new ATOM 0 HZ PHE A 114 4.357 -0.576 -0.351 1.00 0.68 H new ATOM 1705 N TYR A 115 -3.729 -1.031 -1.318 1.00 0.40 N ATOM 1706 CA TYR A 115 -5.139 -1.195 -1.777 1.00 0.41 C ATOM 1707 C TYR A 115 -6.105 -0.497 -0.812 1.00 0.41 C ATOM 1708 O TYR A 115 -6.925 0.298 -1.224 1.00 0.44 O ATOM 1709 CB TYR A 115 -5.485 -2.682 -1.864 1.00 0.44 C ATOM 1710 CG TYR A 115 -6.862 -2.849 -2.466 1.00 0.47 C ATOM 1711 CD1 TYR A 115 -7.041 -2.698 -3.846 1.00 1.28 C ATOM 1712 CD2 TYR A 115 -7.958 -3.155 -1.647 1.00 1.24 C ATOM 1713 CE1 TYR A 115 -8.314 -2.851 -4.408 1.00 1.32 C ATOM 1714 CE2 TYR A 115 -9.231 -3.308 -2.210 1.00 1.26 C ATOM 1715 CZ TYR A 115 -9.409 -3.156 -3.591 1.00 0.61 C ATOM 1716 OH TYR A 115 -10.664 -3.306 -4.145 1.00 0.70 O ATOM 0 H TYR A 115 -3.263 -1.891 -1.030 1.00 0.40 H new ATOM 0 HA TYR A 115 -5.239 -0.739 -2.762 1.00 0.41 H new ATOM 0 HB2 TYR A 115 -4.746 -3.203 -2.473 1.00 0.44 H new ATOM 0 HB3 TYR A 115 -5.454 -3.131 -0.871 1.00 0.44 H new ATOM 0 HD1 TYR A 115 -6.197 -2.463 -4.477 1.00 1.28 H new ATOM 0 HD2 TYR A 115 -7.821 -3.273 -0.582 1.00 1.24 H new ATOM 0 HE1 TYR A 115 -8.451 -2.734 -5.473 1.00 1.32 H new ATOM 0 HE2 TYR A 115 -10.076 -3.543 -1.579 1.00 1.26 H new ATOM 0 HH TYR A 115 -11.310 -3.517 -3.439 1.00 0.70 H new ATOM 1726 N PHE A 116 -6.031 -0.779 0.458 1.00 0.38 N ATOM 1727 CA PHE A 116 -6.971 -0.110 1.402 1.00 0.38 C ATOM 1728 C PHE A 116 -6.873 1.409 1.219 1.00 0.36 C ATOM 1729 O PHE A 116 -7.867 2.110 1.200 1.00 0.35 O ATOM 1730 CB PHE A 116 -6.606 -0.476 2.845 1.00 0.40 C ATOM 1731 CG PHE A 116 -7.484 0.300 3.810 1.00 0.37 C ATOM 1732 CD1 PHE A 116 -8.873 0.085 3.833 1.00 1.17 C ATOM 1733 CD2 PHE A 116 -6.912 1.235 4.686 1.00 1.35 C ATOM 1734 CE1 PHE A 116 -9.678 0.802 4.727 1.00 1.18 C ATOM 1735 CE2 PHE A 116 -7.721 1.949 5.578 1.00 1.37 C ATOM 1736 CZ PHE A 116 -9.103 1.733 5.599 1.00 0.45 C ATOM 0 H PHE A 116 -5.372 -1.433 0.880 1.00 0.38 H new ATOM 0 HA PHE A 116 -7.989 -0.441 1.196 1.00 0.38 H new ATOM 0 HB2 PHE A 116 -6.735 -1.547 3.002 1.00 0.40 H new ATOM 0 HB3 PHE A 116 -5.556 -0.251 3.033 1.00 0.40 H new ATOM 0 HD1 PHE A 116 -9.319 -0.633 3.161 1.00 1.17 H new ATOM 0 HD2 PHE A 116 -5.845 1.404 4.672 1.00 1.35 H new ATOM 0 HE1 PHE A 116 -10.745 0.636 4.743 1.00 1.18 H new ATOM 0 HE2 PHE A 116 -7.277 2.668 6.251 1.00 1.37 H new ATOM 0 HZ PHE A 116 -9.726 2.284 6.288 1.00 0.45 H new ATOM 1746 N ALA A 117 -5.677 1.922 1.077 1.00 0.35 N ATOM 1747 CA ALA A 117 -5.507 3.391 0.892 1.00 0.34 C ATOM 1748 C ALA A 117 -6.041 3.817 -0.477 1.00 0.34 C ATOM 1749 O ALA A 117 -6.597 4.885 -0.628 1.00 0.34 O ATOM 1750 CB ALA A 117 -4.023 3.754 0.986 1.00 0.37 C ATOM 0 H ALA A 117 -4.811 1.384 1.082 1.00 0.35 H new ATOM 0 HA ALA A 117 -6.064 3.908 1.673 1.00 0.34 H new ATOM 0 HB1 ALA A 117 -3.902 4.829 0.850 1.00 0.37 H new ATOM 0 HB2 ALA A 117 -3.639 3.466 1.965 1.00 0.37 H new ATOM 0 HB3 ALA A 117 -3.469 3.226 0.210 1.00 0.37 H new ATOM 1756 N SER A 118 -5.873 2.997 -1.480 1.00 0.35 N ATOM 1757 CA SER A 118 -6.366 3.368 -2.839 1.00 0.37 C ATOM 1758 C SER A 118 -7.837 3.787 -2.773 1.00 0.36 C ATOM 1759 O SER A 118 -8.250 4.743 -3.395 1.00 0.36 O ATOM 1760 CB SER A 118 -6.222 2.169 -3.777 1.00 0.42 C ATOM 1761 OG SER A 118 -4.858 1.774 -3.829 1.00 1.25 O ATOM 0 H SER A 118 -5.416 2.087 -1.417 1.00 0.35 H new ATOM 0 HA SER A 118 -5.775 4.204 -3.214 1.00 0.37 H new ATOM 0 HB2 SER A 118 -6.839 1.342 -3.426 1.00 0.42 H new ATOM 0 HB3 SER A 118 -6.575 2.429 -4.775 1.00 0.42 H new ATOM 0 HG SER A 118 -4.628 1.283 -3.012 1.00 1.25 H new ATOM 1767 N LYS A 119 -8.622 3.094 -1.993 1.00 0.37 N ATOM 1768 CA LYS A 119 -10.060 3.465 -1.852 1.00 0.39 C ATOM 1769 C LYS A 119 -10.138 4.823 -1.147 1.00 0.36 C ATOM 1770 O LYS A 119 -10.719 5.759 -1.660 1.00 0.38 O ATOM 1771 CB LYS A 119 -10.788 2.386 -1.030 1.00 0.46 C ATOM 1772 CG LYS A 119 -12.299 2.417 -1.326 1.00 1.29 C ATOM 1773 CD LYS A 119 -12.611 1.604 -2.601 1.00 1.84 C ATOM 1774 CE LYS A 119 -13.840 2.186 -3.307 1.00 2.48 C ATOM 1775 NZ LYS A 119 -13.495 3.521 -3.871 1.00 3.36 N ATOM 0 H LYS A 119 -8.329 2.285 -1.446 1.00 0.37 H new ATOM 0 HA LYS A 119 -10.538 3.534 -2.829 1.00 0.39 H new ATOM 0 HB2 LYS A 119 -10.384 1.402 -1.269 1.00 0.46 H new ATOM 0 HB3 LYS A 119 -10.615 2.551 0.033 1.00 0.46 H new ATOM 0 HG2 LYS A 119 -12.851 2.006 -0.480 1.00 1.29 H new ATOM 0 HG3 LYS A 119 -12.631 3.447 -1.453 1.00 1.29 H new ATOM 0 HD2 LYS A 119 -11.753 1.622 -3.273 1.00 1.84 H new ATOM 0 HD3 LYS A 119 -12.791 0.561 -2.342 1.00 1.84 H new ATOM 0 HE2 LYS A 119 -14.169 1.516 -4.102 1.00 2.48 H new ATOM 0 HE3 LYS A 119 -14.668 2.278 -2.604 1.00 2.48 H new ATOM 0 HZ1 LYS A 119 -14.077 3.703 -4.714 1.00 3.36 H new ATOM 0 HZ2 LYS A 119 -13.678 4.257 -3.159 1.00 3.36 H new ATOM 0 HZ3 LYS A 119 -12.489 3.537 -4.135 1.00 3.36 H new ATOM 1789 N LEU A 120 -9.527 4.957 -0.006 1.00 0.36 N ATOM 1790 CA LEU A 120 -9.530 6.274 0.695 1.00 0.35 C ATOM 1791 C LEU A 120 -9.150 7.376 -0.309 1.00 0.33 C ATOM 1792 O LEU A 120 -9.789 8.406 -0.399 1.00 0.39 O ATOM 1793 CB LEU A 120 -8.491 6.213 1.831 1.00 0.36 C ATOM 1794 CG LEU A 120 -9.108 5.521 3.071 1.00 0.68 C ATOM 1795 CD1 LEU A 120 -7.999 4.968 3.967 1.00 1.69 C ATOM 1796 CD2 LEU A 120 -9.938 6.522 3.890 1.00 1.28 C ATOM 0 H LEU A 120 -9.024 4.211 0.475 1.00 0.36 H new ATOM 0 HA LEU A 120 -10.515 6.494 1.106 1.00 0.35 H new ATOM 0 HB2 LEU A 120 -7.608 5.666 1.500 1.00 0.36 H new ATOM 0 HB3 LEU A 120 -8.163 7.220 2.091 1.00 0.36 H new ATOM 0 HG LEU A 120 -9.749 4.712 2.722 1.00 0.68 H new ATOM 0 HD11 LEU A 120 -8.442 4.483 4.837 1.00 1.69 H new ATOM 0 HD12 LEU A 120 -7.408 4.242 3.408 1.00 1.69 H new ATOM 0 HD13 LEU A 120 -7.355 5.784 4.295 1.00 1.69 H new ATOM 0 HD21 LEU A 120 -10.364 6.018 4.757 1.00 1.28 H new ATOM 0 HD22 LEU A 120 -9.298 7.339 4.223 1.00 1.28 H new ATOM 0 HD23 LEU A 120 -10.742 6.920 3.271 1.00 1.28 H new ATOM 1808 N VAL A 121 -8.138 7.125 -1.094 1.00 0.33 N ATOM 1809 CA VAL A 121 -7.704 8.088 -2.150 1.00 0.39 C ATOM 1810 C VAL A 121 -8.764 8.154 -3.257 1.00 0.36 C ATOM 1811 O VAL A 121 -9.399 9.171 -3.456 1.00 0.39 O ATOM 1812 CB VAL A 121 -6.369 7.621 -2.745 1.00 0.54 C ATOM 1813 CG1 VAL A 121 -5.929 8.573 -3.880 1.00 0.95 C ATOM 1814 CG2 VAL A 121 -5.312 7.610 -1.633 1.00 1.18 C ATOM 0 H VAL A 121 -7.580 6.273 -1.047 1.00 0.33 H new ATOM 0 HA VAL A 121 -7.582 9.078 -1.710 1.00 0.39 H new ATOM 0 HB VAL A 121 -6.483 6.619 -3.160 1.00 0.54 H new ATOM 0 HG11 VAL A 121 -4.980 8.231 -4.294 1.00 0.95 H new ATOM 0 HG12 VAL A 121 -6.686 8.579 -4.664 1.00 0.95 H new ATOM 0 HG13 VAL A 121 -5.809 9.581 -3.483 1.00 0.95 H new ATOM 0 HG21 VAL A 121 -4.357 7.280 -2.042 1.00 1.18 H new ATOM 0 HG22 VAL A 121 -5.204 8.615 -1.224 1.00 1.18 H new ATOM 0 HG23 VAL A 121 -5.623 6.928 -0.842 1.00 1.18 H new ATOM 1824 N LEU A 122 -8.964 7.090 -3.984 1.00 0.37 N ATOM 1825 CA LEU A 122 -9.986 7.122 -5.069 1.00 0.39 C ATOM 1826 C LEU A 122 -11.310 7.663 -4.506 1.00 0.40 C ATOM 1827 O LEU A 122 -11.891 8.579 -5.052 1.00 0.40 O ATOM 1828 CB LEU A 122 -10.178 5.702 -5.644 1.00 0.42 C ATOM 1829 CG LEU A 122 -10.435 5.762 -7.164 1.00 0.72 C ATOM 1830 CD1 LEU A 122 -9.104 5.889 -7.916 1.00 1.15 C ATOM 1831 CD2 LEU A 122 -11.143 4.482 -7.620 1.00 1.24 C ATOM 0 H LEU A 122 -8.468 6.205 -3.876 1.00 0.37 H new ATOM 0 HA LEU A 122 -9.652 7.778 -5.873 1.00 0.39 H new ATOM 0 HB2 LEU A 122 -9.292 5.100 -5.443 1.00 0.42 H new ATOM 0 HB3 LEU A 122 -11.016 5.213 -5.147 1.00 0.42 H new ATOM 0 HG LEU A 122 -11.061 6.628 -7.380 1.00 0.72 H new ATOM 0 HD11 LEU A 122 -9.295 5.931 -8.988 1.00 1.15 H new ATOM 0 HD12 LEU A 122 -8.594 6.800 -7.602 1.00 1.15 H new ATOM 0 HD13 LEU A 122 -8.476 5.027 -7.692 1.00 1.15 H new ATOM 0 HD21 LEU A 122 -11.323 4.528 -8.694 1.00 1.24 H new ATOM 0 HD22 LEU A 122 -10.516 3.619 -7.394 1.00 1.24 H new ATOM 0 HD23 LEU A 122 -12.094 4.386 -7.097 1.00 1.24 H new ATOM 1843 N LYS A 123 -11.787 7.125 -3.419 1.00 0.51 N ATOM 1844 CA LYS A 123 -13.061 7.645 -2.844 1.00 0.55 C ATOM 1845 C LYS A 123 -12.972 9.169 -2.692 1.00 0.54 C ATOM 1846 O LYS A 123 -13.963 9.865 -2.795 1.00 0.55 O ATOM 1847 CB LYS A 123 -13.315 7.009 -1.471 1.00 0.59 C ATOM 1848 CG LYS A 123 -14.775 7.250 -1.037 1.00 0.97 C ATOM 1849 CD LYS A 123 -15.682 6.137 -1.581 1.00 1.37 C ATOM 1850 CE LYS A 123 -17.140 6.454 -1.240 1.00 1.74 C ATOM 1851 NZ LYS A 123 -17.561 7.691 -1.959 1.00 2.32 N ATOM 0 H LYS A 123 -11.356 6.355 -2.907 1.00 0.51 H new ATOM 0 HA LYS A 123 -13.883 7.392 -3.514 1.00 0.55 H new ATOM 0 HB2 LYS A 123 -13.112 5.939 -1.514 1.00 0.59 H new ATOM 0 HB3 LYS A 123 -12.634 7.433 -0.734 1.00 0.59 H new ATOM 0 HG2 LYS A 123 -14.838 7.281 0.051 1.00 0.97 H new ATOM 0 HG3 LYS A 123 -15.116 8.218 -1.404 1.00 0.97 H new ATOM 0 HD2 LYS A 123 -15.561 6.050 -2.661 1.00 1.37 H new ATOM 0 HD3 LYS A 123 -15.397 5.178 -1.150 1.00 1.37 H new ATOM 0 HE2 LYS A 123 -17.781 5.619 -1.524 1.00 1.74 H new ATOM 0 HE3 LYS A 123 -17.252 6.590 -0.164 1.00 1.74 H new ATOM 0 HZ1 LYS A 123 -18.596 7.700 -2.057 1.00 2.32 H new ATOM 0 HZ2 LYS A 123 -17.256 8.527 -1.420 1.00 2.32 H new ATOM 0 HZ3 LYS A 123 -17.124 7.710 -2.903 1.00 2.32 H new ATOM 1865 N ALA A 124 -11.805 9.700 -2.432 1.00 0.52 N ATOM 1866 CA ALA A 124 -11.691 11.179 -2.260 1.00 0.52 C ATOM 1867 C ALA A 124 -11.780 11.876 -3.619 1.00 0.51 C ATOM 1868 O ALA A 124 -12.262 12.984 -3.734 1.00 0.54 O ATOM 1869 CB ALA A 124 -10.362 11.526 -1.591 1.00 0.51 C ATOM 0 H ALA A 124 -10.934 9.179 -2.332 1.00 0.52 H new ATOM 0 HA ALA A 124 -12.511 11.522 -1.629 1.00 0.52 H new ATOM 0 HB1 ALA A 124 -10.287 12.607 -1.469 1.00 0.51 H new ATOM 0 HB2 ALA A 124 -10.311 11.046 -0.614 1.00 0.51 H new ATOM 0 HB3 ALA A 124 -9.539 11.173 -2.212 1.00 0.51 H new ATOM 1875 N LEU A 125 -11.324 11.220 -4.652 1.00 0.47 N ATOM 1876 CA LEU A 125 -11.378 11.807 -6.013 1.00 0.47 C ATOM 1877 C LEU A 125 -12.827 12.119 -6.385 1.00 0.48 C ATOM 1878 O LEU A 125 -13.134 13.172 -6.909 1.00 0.48 O ATOM 1879 CB LEU A 125 -10.812 10.778 -7.006 1.00 0.51 C ATOM 1880 CG LEU A 125 -10.691 11.402 -8.422 1.00 0.49 C ATOM 1881 CD1 LEU A 125 -9.299 11.135 -9.010 1.00 1.10 C ATOM 1882 CD2 LEU A 125 -11.747 10.803 -9.363 1.00 1.21 C ATOM 0 H LEU A 125 -10.911 10.289 -4.605 1.00 0.47 H new ATOM 0 HA LEU A 125 -10.796 12.728 -6.044 1.00 0.47 H new ATOM 0 HB2 LEU A 125 -9.834 10.436 -6.667 1.00 0.51 H new ATOM 0 HB3 LEU A 125 -11.461 9.903 -7.042 1.00 0.51 H new ATOM 0 HG LEU A 125 -10.849 12.477 -8.329 1.00 0.49 H new ATOM 0 HD11 LEU A 125 -9.232 11.580 -10.003 1.00 1.10 H new ATOM 0 HD12 LEU A 125 -8.540 11.576 -8.363 1.00 1.10 H new ATOM 0 HD13 LEU A 125 -9.135 10.060 -9.082 1.00 1.10 H new ATOM 0 HD21 LEU A 125 -11.649 11.251 -10.352 1.00 1.21 H new ATOM 0 HD22 LEU A 125 -11.600 9.725 -9.436 1.00 1.21 H new ATOM 0 HD23 LEU A 125 -12.743 11.007 -8.969 1.00 1.21 H new ATOM 1894 N CYS A 126 -13.721 11.210 -6.124 1.00 0.52 N ATOM 1895 CA CYS A 126 -15.146 11.456 -6.470 1.00 0.57 C ATOM 1896 C CYS A 126 -15.683 12.624 -5.635 1.00 0.57 C ATOM 1897 O CYS A 126 -16.292 13.534 -6.149 1.00 0.68 O ATOM 1898 CB CYS A 126 -15.968 10.195 -6.186 1.00 0.66 C ATOM 1899 SG CYS A 126 -15.299 8.807 -7.137 1.00 1.67 S ATOM 0 H CYS A 126 -13.527 10.309 -5.687 1.00 0.52 H new ATOM 0 HA CYS A 126 -15.225 11.705 -7.528 1.00 0.57 H new ATOM 0 HB2 CYS A 126 -15.943 9.965 -5.121 1.00 0.66 H new ATOM 0 HB3 CYS A 126 -17.012 10.362 -6.452 1.00 0.66 H new ATOM 0 HG CYS A 126 -15.996 7.737 -6.893 1.00 1.67 H new ATOM 1905 N THR A 127 -15.497 12.579 -4.343 1.00 0.57 N ATOM 1906 CA THR A 127 -16.040 13.671 -3.486 1.00 0.60 C ATOM 1907 C THR A 127 -15.469 15.008 -3.947 1.00 0.62 C ATOM 1908 O THR A 127 -15.880 16.065 -3.519 1.00 0.70 O ATOM 1909 CB THR A 127 -15.686 13.361 -2.006 1.00 0.60 C ATOM 1910 OG1 THR A 127 -14.325 12.964 -1.908 1.00 1.14 O ATOM 1911 CG2 THR A 127 -16.604 12.198 -1.599 1.00 1.19 C ATOM 0 H THR A 127 -14.997 11.840 -3.848 1.00 0.57 H new ATOM 0 HA THR A 127 -17.125 13.733 -3.571 1.00 0.60 H new ATOM 0 HB THR A 127 -15.823 14.230 -1.363 1.00 0.60 H new ATOM 0 HG1 THR A 127 -13.840 13.257 -2.708 1.00 1.14 H new ATOM 0 HG21 THR A 127 -16.408 11.926 -0.562 1.00 1.19 H new ATOM 0 HG22 THR A 127 -17.645 12.503 -1.704 1.00 1.19 H new ATOM 0 HG23 THR A 127 -16.411 11.340 -2.242 1.00 1.19 H new ATOM 1919 N LYS A 128 -14.498 14.937 -4.830 1.00 0.60 N ATOM 1920 CA LYS A 128 -13.838 16.164 -5.368 1.00 0.70 C ATOM 1921 C LYS A 128 -13.236 16.974 -4.223 1.00 0.61 C ATOM 1922 O LYS A 128 -13.713 18.048 -3.907 1.00 0.60 O ATOM 1923 CB LYS A 128 -14.840 17.031 -6.144 1.00 0.87 C ATOM 1924 CG LYS A 128 -15.172 16.382 -7.491 1.00 1.12 C ATOM 1925 CD LYS A 128 -16.233 17.222 -8.207 1.00 1.43 C ATOM 1926 CE LYS A 128 -16.544 16.607 -9.573 1.00 1.83 C ATOM 1927 NZ LYS A 128 -17.570 17.436 -10.267 1.00 2.47 N ATOM 0 H LYS A 128 -14.131 14.062 -5.205 1.00 0.60 H new ATOM 0 HA LYS A 128 -13.047 15.855 -6.051 1.00 0.70 H new ATOM 0 HB2 LYS A 128 -15.751 17.158 -5.559 1.00 0.87 H new ATOM 0 HB3 LYS A 128 -14.423 18.025 -6.304 1.00 0.87 H new ATOM 0 HG2 LYS A 128 -14.274 16.309 -8.104 1.00 1.12 H new ATOM 0 HG3 LYS A 128 -15.537 15.366 -7.339 1.00 1.12 H new ATOM 0 HD2 LYS A 128 -17.140 17.270 -7.604 1.00 1.43 H new ATOM 0 HD3 LYS A 128 -15.878 18.245 -8.331 1.00 1.43 H new ATOM 0 HE2 LYS A 128 -15.637 16.553 -10.175 1.00 1.83 H new ATOM 0 HE3 LYS A 128 -16.907 15.587 -9.451 1.00 1.83 H new ATOM 0 HZ1 LYS A 128 -17.783 17.019 -11.196 1.00 2.47 H new ATOM 0 HZ2 LYS A 128 -18.438 17.466 -9.694 1.00 2.47 H new ATOM 0 HZ3 LYS A 128 -17.207 18.402 -10.396 1.00 2.47 H new ATOM 1941 N VAL A 129 -12.192 16.487 -3.591 1.00 0.60 N ATOM 1942 CA VAL A 129 -11.568 17.256 -2.465 1.00 0.53 C ATOM 1943 C VAL A 129 -10.035 17.081 -2.526 1.00 0.53 C ATOM 1944 O VAL A 129 -9.488 16.298 -1.774 1.00 0.56 O ATOM 1945 CB VAL A 129 -12.089 16.691 -1.139 1.00 0.57 C ATOM 1946 CG1 VAL A 129 -11.577 17.538 0.025 1.00 1.40 C ATOM 1947 CG2 VAL A 129 -13.620 16.696 -1.146 1.00 1.22 C ATOM 0 H VAL A 129 -11.747 15.594 -3.805 1.00 0.60 H new ATOM 0 HA VAL A 129 -11.820 18.314 -2.544 1.00 0.53 H new ATOM 0 HB VAL A 129 -11.730 15.669 -1.020 1.00 0.57 H new ATOM 0 HG11 VAL A 129 -11.951 17.130 0.964 1.00 1.40 H new ATOM 0 HG12 VAL A 129 -10.487 17.525 0.033 1.00 1.40 H new ATOM 0 HG13 VAL A 129 -11.927 18.564 -0.090 1.00 1.40 H new ATOM 0 HG21 VAL A 129 -13.989 16.294 -0.203 1.00 1.22 H new ATOM 0 HG22 VAL A 129 -13.980 17.717 -1.271 1.00 1.22 H new ATOM 0 HG23 VAL A 129 -13.982 16.080 -1.969 1.00 1.22 H new ATOM 1957 N PRO A 130 -9.377 17.790 -3.428 1.00 0.62 N ATOM 1958 CA PRO A 130 -7.910 17.671 -3.585 1.00 0.73 C ATOM 1959 C PRO A 130 -7.184 18.015 -2.271 1.00 0.65 C ATOM 1960 O PRO A 130 -6.091 17.550 -2.019 1.00 0.64 O ATOM 1961 CB PRO A 130 -7.545 18.629 -4.740 1.00 1.00 C ATOM 1962 CG PRO A 130 -8.870 19.278 -5.241 1.00 1.00 C ATOM 1963 CD PRO A 130 -10.019 18.755 -4.348 1.00 0.75 C ATOM 0 HA PRO A 130 -7.598 16.653 -3.818 1.00 0.73 H new ATOM 0 HB2 PRO A 130 -6.848 19.394 -4.399 1.00 1.00 H new ATOM 0 HB3 PRO A 130 -7.053 18.087 -5.548 1.00 1.00 H new ATOM 0 HG2 PRO A 130 -8.808 20.365 -5.186 1.00 1.00 H new ATOM 0 HG3 PRO A 130 -9.050 19.021 -6.285 1.00 1.00 H new ATOM 0 HD2 PRO A 130 -10.494 19.568 -3.799 1.00 0.75 H new ATOM 0 HD3 PRO A 130 -10.796 18.276 -4.944 1.00 0.75 H new ATOM 1971 N GLU A 131 -7.795 18.784 -1.421 1.00 0.73 N ATOM 1972 CA GLU A 131 -7.159 19.106 -0.112 1.00 0.82 C ATOM 1973 C GLU A 131 -6.885 17.813 0.663 1.00 0.72 C ATOM 1974 O GLU A 131 -5.871 17.646 1.313 1.00 0.73 O ATOM 1975 CB GLU A 131 -8.149 19.956 0.713 1.00 1.09 C ATOM 1976 CG GLU A 131 -7.400 20.658 1.865 1.00 1.55 C ATOM 1977 CD GLU A 131 -6.685 21.919 1.355 1.00 2.17 C ATOM 1978 OE1 GLU A 131 -6.202 21.903 0.237 1.00 2.86 O ATOM 1979 OE2 GLU A 131 -6.628 22.881 2.102 1.00 2.52 O ATOM 0 H GLU A 131 -8.711 19.207 -1.573 1.00 0.73 H new ATOM 0 HA GLU A 131 -6.225 19.641 -0.282 1.00 0.82 H new ATOM 0 HB2 GLU A 131 -8.628 20.697 0.073 1.00 1.09 H new ATOM 0 HB3 GLU A 131 -8.940 19.323 1.114 1.00 1.09 H new ATOM 0 HG2 GLU A 131 -8.103 20.926 2.654 1.00 1.55 H new ATOM 0 HG3 GLU A 131 -6.674 19.974 2.304 1.00 1.55 H new ATOM 1986 N LEU A 132 -7.811 16.898 0.579 1.00 0.71 N ATOM 1987 CA LEU A 132 -7.696 15.583 1.274 1.00 0.69 C ATOM 1988 C LEU A 132 -6.738 14.656 0.517 1.00 0.58 C ATOM 1989 O LEU A 132 -5.844 14.093 1.111 1.00 0.59 O ATOM 1990 CB LEU A 132 -9.097 14.949 1.341 1.00 0.80 C ATOM 1991 CG LEU A 132 -9.059 13.587 2.054 1.00 0.60 C ATOM 1992 CD1 LEU A 132 -8.607 13.759 3.515 1.00 1.11 C ATOM 1993 CD2 LEU A 132 -10.464 12.970 2.019 1.00 0.77 C ATOM 0 H LEU A 132 -8.670 17.011 0.040 1.00 0.71 H new ATOM 0 HA LEU A 132 -7.299 15.731 2.278 1.00 0.69 H new ATOM 0 HB2 LEU A 132 -9.777 15.619 1.867 1.00 0.80 H new ATOM 0 HB3 LEU A 132 -9.491 14.823 0.332 1.00 0.80 H new ATOM 0 HG LEU A 132 -8.350 12.934 1.546 1.00 0.60 H new ATOM 0 HD11 LEU A 132 -8.585 12.786 4.006 1.00 1.11 H new ATOM 0 HD12 LEU A 132 -7.610 14.199 3.538 1.00 1.11 H new ATOM 0 HD13 LEU A 132 -9.305 14.413 4.037 1.00 1.11 H new ATOM 0 HD21 LEU A 132 -10.449 12.003 2.522 1.00 0.77 H new ATOM 0 HD22 LEU A 132 -11.165 13.633 2.527 1.00 0.77 H new ATOM 0 HD23 LEU A 132 -10.777 12.836 0.983 1.00 0.77 H new ATOM 2005 N ILE A 133 -6.893 14.483 -0.766 1.00 0.52 N ATOM 2006 CA ILE A 133 -5.960 13.571 -1.505 1.00 0.46 C ATOM 2007 C ILE A 133 -4.511 13.817 -1.067 1.00 0.43 C ATOM 2008 O ILE A 133 -3.776 12.897 -0.765 1.00 0.46 O ATOM 2009 CB ILE A 133 -6.072 13.813 -3.007 1.00 0.45 C ATOM 2010 CG1 ILE A 133 -7.541 13.682 -3.431 1.00 0.42 C ATOM 2011 CG2 ILE A 133 -5.233 12.764 -3.744 1.00 0.49 C ATOM 2012 CD1 ILE A 133 -7.687 13.997 -4.923 1.00 1.19 C ATOM 0 H ILE A 133 -7.615 14.926 -1.334 1.00 0.52 H new ATOM 0 HA ILE A 133 -6.237 12.542 -1.276 1.00 0.46 H new ATOM 0 HB ILE A 133 -5.710 14.812 -3.251 1.00 0.45 H new ATOM 0 HG12 ILE A 133 -7.898 12.672 -3.228 1.00 0.42 H new ATOM 0 HG13 ILE A 133 -8.159 14.363 -2.845 1.00 0.42 H new ATOM 0 HG21 ILE A 133 -5.307 12.929 -4.819 1.00 0.49 H new ATOM 0 HG22 ILE A 133 -4.191 12.848 -3.435 1.00 0.49 H new ATOM 0 HG23 ILE A 133 -5.603 11.767 -3.503 1.00 0.49 H new ATOM 0 HD11 ILE A 133 -8.733 13.901 -5.214 1.00 1.19 H new ATOM 0 HD12 ILE A 133 -7.349 15.015 -5.115 1.00 1.19 H new ATOM 0 HD13 ILE A 133 -7.083 13.299 -5.503 1.00 1.19 H new ATOM 2024 N ARG A 134 -4.102 15.053 -1.024 1.00 0.42 N ATOM 2025 CA ARG A 134 -2.710 15.372 -0.598 1.00 0.43 C ATOM 2026 C ARG A 134 -2.517 14.945 0.860 1.00 0.40 C ATOM 2027 O ARG A 134 -1.483 14.426 1.233 1.00 0.39 O ATOM 2028 CB ARG A 134 -2.493 16.885 -0.714 1.00 0.51 C ATOM 2029 CG ARG A 134 -1.016 17.220 -0.494 1.00 1.26 C ATOM 2030 CD ARG A 134 -0.846 18.739 -0.411 1.00 1.57 C ATOM 2031 NE ARG A 134 0.593 19.064 -0.190 1.00 2.30 N ATOM 2032 CZ ARG A 134 1.025 20.283 -0.367 1.00 2.86 C ATOM 2033 NH1 ARG A 134 0.196 21.225 -0.727 1.00 2.98 N ATOM 2034 NH2 ARG A 134 2.287 20.562 -0.182 1.00 3.71 N ATOM 0 H ARG A 134 -4.675 15.861 -1.267 1.00 0.42 H new ATOM 0 HA ARG A 134 -1.997 14.843 -1.230 1.00 0.43 H new ATOM 0 HB2 ARG A 134 -2.811 17.232 -1.697 1.00 0.51 H new ATOM 0 HB3 ARG A 134 -3.106 17.406 0.021 1.00 0.51 H new ATOM 0 HG2 ARG A 134 -0.658 16.752 0.423 1.00 1.26 H new ATOM 0 HG3 ARG A 134 -0.415 16.820 -1.311 1.00 1.26 H new ATOM 0 HD2 ARG A 134 -1.199 19.206 -1.330 1.00 1.57 H new ATOM 0 HD3 ARG A 134 -1.450 19.140 0.403 1.00 1.57 H new ATOM 0 HE ARG A 134 1.241 18.332 0.100 1.00 2.30 H new ATOM 0 HH11 ARG A 134 -0.790 21.009 -0.870 1.00 2.98 H new ATOM 0 HH12 ARG A 134 0.535 22.177 -0.865 1.00 2.98 H new ATOM 0 HH21 ARG A 134 2.936 19.827 0.101 1.00 3.71 H new ATOM 0 HH22 ARG A 134 2.624 21.515 -0.320 1.00 3.71 H new ATOM 2048 N THR A 135 -3.500 15.176 1.688 1.00 0.41 N ATOM 2049 CA THR A 135 -3.362 14.802 3.121 1.00 0.41 C ATOM 2050 C THR A 135 -3.350 13.280 3.292 1.00 0.39 C ATOM 2051 O THR A 135 -2.844 12.749 4.262 1.00 0.52 O ATOM 2052 CB THR A 135 -4.521 15.393 3.928 1.00 0.42 C ATOM 2053 OG1 THR A 135 -4.466 16.812 3.852 1.00 0.89 O ATOM 2054 CG2 THR A 135 -4.399 14.960 5.392 1.00 0.88 C ATOM 0 H THR A 135 -4.389 15.606 1.433 1.00 0.41 H new ATOM 0 HA THR A 135 -2.416 15.202 3.486 1.00 0.41 H new ATOM 0 HB THR A 135 -5.468 15.037 3.522 1.00 0.42 H new ATOM 0 HG1 THR A 135 -4.914 17.113 3.034 1.00 0.89 H new ATOM 0 HG21 THR A 135 -5.224 15.381 5.966 1.00 0.88 H new ATOM 0 HG22 THR A 135 -4.432 13.872 5.454 1.00 0.88 H new ATOM 0 HG23 THR A 135 -3.454 15.318 5.800 1.00 0.88 H new ATOM 2062 N ILE A 136 -3.898 12.571 2.340 1.00 0.35 N ATOM 2063 CA ILE A 136 -3.921 11.082 2.428 1.00 0.36 C ATOM 2064 C ILE A 136 -2.524 10.545 2.110 1.00 0.35 C ATOM 2065 O ILE A 136 -1.788 10.154 2.995 1.00 0.51 O ATOM 2066 CB ILE A 136 -4.926 10.538 1.403 1.00 0.46 C ATOM 2067 CG1 ILE A 136 -6.337 11.104 1.697 1.00 0.60 C ATOM 2068 CG2 ILE A 136 -4.939 9.004 1.447 1.00 0.94 C ATOM 2069 CD1 ILE A 136 -7.083 10.235 2.713 1.00 0.64 C ATOM 0 H ILE A 136 -4.332 12.961 1.503 1.00 0.35 H new ATOM 0 HA ILE A 136 -4.214 10.768 3.430 1.00 0.36 H new ATOM 0 HB ILE A 136 -4.627 10.853 0.403 1.00 0.46 H new ATOM 0 HG12 ILE A 136 -6.251 12.121 2.079 1.00 0.60 H new ATOM 0 HG13 ILE A 136 -6.910 11.158 0.771 1.00 0.60 H new ATOM 0 HG21 ILE A 136 -5.654 8.625 0.717 1.00 0.94 H new ATOM 0 HG22 ILE A 136 -3.945 8.625 1.211 1.00 0.94 H new ATOM 0 HG23 ILE A 136 -5.227 8.671 2.444 1.00 0.94 H new ATOM 0 HD11 ILE A 136 -8.070 10.658 2.899 1.00 0.64 H new ATOM 0 HD12 ILE A 136 -7.190 9.225 2.319 1.00 0.64 H new ATOM 0 HD13 ILE A 136 -6.521 10.203 3.646 1.00 0.64 H new ATOM 2081 N MET A 137 -2.163 10.512 0.849 1.00 0.35 N ATOM 2082 CA MET A 137 -0.816 9.995 0.442 1.00 0.33 C ATOM 2083 C MET A 137 0.249 10.417 1.459 1.00 0.31 C ATOM 2084 O MET A 137 1.207 9.719 1.716 1.00 0.34 O ATOM 2085 CB MET A 137 -0.451 10.563 -0.937 1.00 0.36 C ATOM 2086 CG MET A 137 -1.546 10.212 -1.974 1.00 0.67 C ATOM 2087 SD MET A 137 -0.799 9.394 -3.414 1.00 1.13 S ATOM 2088 CE MET A 137 0.135 10.807 -4.062 1.00 0.67 C ATOM 0 H MET A 137 -2.750 10.825 0.076 1.00 0.35 H new ATOM 0 HA MET A 137 -0.854 8.906 0.401 1.00 0.33 H new ATOM 0 HB2 MET A 137 -0.336 11.645 -0.873 1.00 0.36 H new ATOM 0 HB3 MET A 137 0.508 10.159 -1.261 1.00 0.36 H new ATOM 0 HG2 MET A 137 -2.292 9.559 -1.521 1.00 0.67 H new ATOM 0 HG3 MET A 137 -2.064 11.118 -2.288 1.00 0.67 H new ATOM 0 HE1 MET A 137 0.541 10.556 -5.042 1.00 0.67 H new ATOM 0 HE2 MET A 137 -0.526 11.669 -4.153 1.00 0.67 H new ATOM 0 HE3 MET A 137 0.952 11.046 -3.381 1.00 0.67 H new ATOM 2098 N GLY A 138 0.053 11.564 2.049 1.00 0.31 N ATOM 2099 CA GLY A 138 1.001 12.082 3.074 1.00 0.33 C ATOM 2100 C GLY A 138 1.058 11.106 4.246 1.00 0.33 C ATOM 2101 O GLY A 138 2.119 10.736 4.705 1.00 0.34 O ATOM 0 H GLY A 138 -0.741 12.176 1.859 1.00 0.31 H new ATOM 0 HA2 GLY A 138 1.993 12.205 2.640 1.00 0.33 H new ATOM 0 HA3 GLY A 138 0.680 13.065 3.419 1.00 0.33 H new ATOM 2105 N TRP A 139 -0.076 10.685 4.733 1.00 0.34 N ATOM 2106 CA TRP A 139 -0.072 9.732 5.876 1.00 0.37 C ATOM 2107 C TRP A 139 0.400 8.347 5.413 1.00 0.35 C ATOM 2108 O TRP A 139 0.774 7.514 6.212 1.00 0.39 O ATOM 2109 CB TRP A 139 -1.475 9.621 6.484 1.00 0.43 C ATOM 2110 CG TRP A 139 -1.885 10.908 7.151 1.00 0.46 C ATOM 2111 CD1 TRP A 139 -1.063 11.777 7.802 1.00 0.54 C ATOM 2112 CD2 TRP A 139 -3.226 11.471 7.258 1.00 0.53 C ATOM 2113 NE1 TRP A 139 -1.818 12.831 8.282 1.00 0.57 N ATOM 2114 CE2 TRP A 139 -3.153 12.689 7.974 1.00 0.56 C ATOM 2115 CE3 TRP A 139 -4.486 11.047 6.801 1.00 0.67 C ATOM 2116 CZ2 TRP A 139 -4.288 13.457 8.229 1.00 0.66 C ATOM 2117 CZ3 TRP A 139 -5.632 11.818 7.057 1.00 0.81 C ATOM 2118 CH2 TRP A 139 -5.532 13.021 7.769 1.00 0.78 C ATOM 0 H TRP A 139 -0.998 10.957 4.392 1.00 0.34 H new ATOM 0 HA TRP A 139 0.615 10.109 6.634 1.00 0.37 H new ATOM 0 HB2 TRP A 139 -2.193 9.368 5.704 1.00 0.43 H new ATOM 0 HB3 TRP A 139 -1.496 8.809 7.211 1.00 0.43 H new ATOM 0 HD1 TRP A 139 0.004 11.662 7.923 1.00 0.54 H new ATOM 0 HE1 TRP A 139 -1.433 13.619 8.802 1.00 0.57 H new ATOM 0 HE3 TRP A 139 -4.573 10.123 6.250 1.00 0.67 H new ATOM 0 HZ2 TRP A 139 -4.206 14.383 8.779 1.00 0.66 H new ATOM 0 HZ3 TRP A 139 -6.595 11.482 6.703 1.00 0.81 H new ATOM 0 HH2 TRP A 139 -6.416 13.610 7.962 1.00 0.78 H new ATOM 2129 N THR A 140 0.381 8.090 4.127 1.00 0.34 N ATOM 2130 CA THR A 140 0.824 6.756 3.624 1.00 0.36 C ATOM 2131 C THR A 140 2.351 6.743 3.489 1.00 0.34 C ATOM 2132 O THR A 140 3.020 5.877 4.016 1.00 0.39 O ATOM 2133 CB THR A 140 0.174 6.490 2.263 1.00 0.38 C ATOM 2134 OG1 THR A 140 -1.238 6.591 2.388 1.00 1.20 O ATOM 2135 CG2 THR A 140 0.544 5.088 1.778 1.00 1.17 C ATOM 0 H THR A 140 0.078 8.746 3.407 1.00 0.34 H new ATOM 0 HA THR A 140 0.523 5.977 4.325 1.00 0.36 H new ATOM 0 HB THR A 140 0.532 7.225 1.542 1.00 0.38 H new ATOM 0 HG1 THR A 140 -1.656 6.423 1.518 1.00 1.20 H new ATOM 0 HG21 THR A 140 0.079 4.904 0.809 1.00 1.17 H new ATOM 0 HG22 THR A 140 1.627 5.010 1.681 1.00 1.17 H new ATOM 0 HG23 THR A 140 0.190 4.349 2.497 1.00 1.17 H new ATOM 2143 N LEU A 141 2.912 7.704 2.802 1.00 0.33 N ATOM 2144 CA LEU A 141 4.396 7.746 2.661 1.00 0.34 C ATOM 2145 C LEU A 141 5.014 8.007 4.041 1.00 0.33 C ATOM 2146 O LEU A 141 6.121 7.594 4.321 1.00 0.33 O ATOM 2147 CB LEU A 141 4.820 8.818 1.644 1.00 0.35 C ATOM 2148 CG LEU A 141 4.505 8.343 0.208 1.00 0.41 C ATOM 2149 CD1 LEU A 141 3.040 8.617 -0.137 1.00 0.99 C ATOM 2150 CD2 LEU A 141 5.390 9.090 -0.794 1.00 0.80 C ATOM 0 H LEU A 141 2.408 8.458 2.335 1.00 0.33 H new ATOM 0 HA LEU A 141 4.757 6.790 2.282 1.00 0.34 H new ATOM 0 HB2 LEU A 141 4.297 9.752 1.849 1.00 0.35 H new ATOM 0 HB3 LEU A 141 5.886 9.022 1.742 1.00 0.35 H new ATOM 0 HG LEU A 141 4.698 7.272 0.153 1.00 0.41 H new ATOM 0 HD11 LEU A 141 2.835 8.276 -1.152 1.00 0.99 H new ATOM 0 HD12 LEU A 141 2.396 8.083 0.562 1.00 0.99 H new ATOM 0 HD13 LEU A 141 2.844 9.687 -0.067 1.00 0.99 H new ATOM 0 HD21 LEU A 141 5.163 8.750 -1.804 1.00 0.80 H new ATOM 0 HD22 LEU A 141 5.200 10.161 -0.720 1.00 0.80 H new ATOM 0 HD23 LEU A 141 6.439 8.892 -0.572 1.00 0.80 H new ATOM 2162 N ASP A 142 4.296 8.651 4.917 1.00 0.36 N ATOM 2163 CA ASP A 142 4.831 8.891 6.288 1.00 0.37 C ATOM 2164 C ASP A 142 5.020 7.538 6.984 1.00 0.37 C ATOM 2165 O ASP A 142 6.061 7.246 7.539 1.00 0.42 O ATOM 2166 CB ASP A 142 3.815 9.724 7.077 1.00 0.37 C ATOM 2167 CG ASP A 142 3.868 11.182 6.610 1.00 0.78 C ATOM 2168 OD1 ASP A 142 4.876 11.570 6.042 1.00 1.59 O ATOM 2169 OD2 ASP A 142 2.897 11.887 6.828 1.00 1.32 O ATOM 0 H ASP A 142 3.362 9.022 4.744 1.00 0.36 H new ATOM 0 HA ASP A 142 5.782 9.420 6.236 1.00 0.37 H new ATOM 0 HB2 ASP A 142 2.812 9.323 6.934 1.00 0.37 H new ATOM 0 HB3 ASP A 142 4.032 9.666 8.143 1.00 0.37 H new ATOM 2174 N PHE A 143 4.007 6.712 6.950 1.00 0.41 N ATOM 2175 CA PHE A 143 4.088 5.367 7.596 1.00 0.43 C ATOM 2176 C PHE A 143 5.108 4.496 6.862 1.00 0.43 C ATOM 2177 O PHE A 143 5.848 3.755 7.479 1.00 0.45 O ATOM 2178 CB PHE A 143 2.709 4.702 7.535 1.00 0.44 C ATOM 2179 CG PHE A 143 2.728 3.380 8.273 1.00 0.47 C ATOM 2180 CD1 PHE A 143 3.092 2.205 7.600 1.00 1.29 C ATOM 2181 CD2 PHE A 143 2.368 3.325 9.626 1.00 1.16 C ATOM 2182 CE1 PHE A 143 3.098 0.980 8.281 1.00 1.35 C ATOM 2183 CE2 PHE A 143 2.371 2.099 10.304 1.00 1.22 C ATOM 2184 CZ PHE A 143 2.737 0.928 9.632 1.00 0.72 C ATOM 0 H PHE A 143 3.116 6.914 6.497 1.00 0.41 H new ATOM 0 HA PHE A 143 4.401 5.480 8.634 1.00 0.43 H new ATOM 0 HB2 PHE A 143 1.961 5.361 7.975 1.00 0.44 H new ATOM 0 HB3 PHE A 143 2.421 4.542 6.496 1.00 0.44 H new ATOM 0 HD1 PHE A 143 3.368 2.244 6.557 1.00 1.29 H new ATOM 0 HD2 PHE A 143 2.088 4.229 10.147 1.00 1.16 H new ATOM 0 HE1 PHE A 143 3.381 0.076 7.763 1.00 1.35 H new ATOM 0 HE2 PHE A 143 2.091 2.058 11.346 1.00 1.22 H new ATOM 0 HZ PHE A 143 2.741 -0.016 10.156 1.00 0.72 H new ATOM 2194 N LEU A 144 5.171 4.567 5.560 1.00 0.45 N ATOM 2195 CA LEU A 144 6.167 3.723 4.843 1.00 0.47 C ATOM 2196 C LEU A 144 7.561 4.205 5.244 1.00 0.47 C ATOM 2197 O LEU A 144 8.390 3.438 5.691 1.00 0.49 O ATOM 2198 CB LEU A 144 5.926 3.812 3.318 1.00 0.49 C ATOM 2199 CG LEU A 144 7.213 3.584 2.503 1.00 0.64 C ATOM 2200 CD1 LEU A 144 7.703 2.147 2.693 1.00 1.31 C ATOM 2201 CD2 LEU A 144 6.908 3.821 1.021 1.00 1.01 C ATOM 0 H LEU A 144 4.587 5.161 4.971 1.00 0.45 H new ATOM 0 HA LEU A 144 6.069 2.672 5.114 1.00 0.47 H new ATOM 0 HB2 LEU A 144 5.180 3.072 3.028 1.00 0.49 H new ATOM 0 HB3 LEU A 144 5.515 4.792 3.075 1.00 0.49 H new ATOM 0 HG LEU A 144 7.986 4.273 2.843 1.00 0.64 H new ATOM 0 HD11 LEU A 144 8.613 1.993 2.114 1.00 1.31 H new ATOM 0 HD12 LEU A 144 7.910 1.970 3.748 1.00 1.31 H new ATOM 0 HD13 LEU A 144 6.935 1.453 2.353 1.00 1.31 H new ATOM 0 HD21 LEU A 144 7.812 3.662 0.434 1.00 1.01 H new ATOM 0 HD22 LEU A 144 6.135 3.126 0.693 1.00 1.01 H new ATOM 0 HD23 LEU A 144 6.559 4.844 0.880 1.00 1.01 H new ATOM 2213 N ARG A 145 7.814 5.465 5.107 1.00 0.47 N ATOM 2214 CA ARG A 145 9.138 6.007 5.497 1.00 0.48 C ATOM 2215 C ARG A 145 9.436 5.685 6.971 1.00 0.49 C ATOM 2216 O ARG A 145 10.571 5.443 7.334 1.00 0.50 O ATOM 2217 CB ARG A 145 9.128 7.526 5.300 1.00 0.49 C ATOM 2218 CG ARG A 145 10.563 8.057 5.338 1.00 0.69 C ATOM 2219 CD ARG A 145 10.541 9.581 5.429 1.00 0.68 C ATOM 2220 NE ARG A 145 11.938 10.096 5.389 1.00 1.56 N ATOM 2221 CZ ARG A 145 12.161 11.364 5.183 1.00 2.10 C ATOM 2222 NH1 ARG A 145 11.159 12.184 5.024 1.00 2.12 N ATOM 2223 NH2 ARG A 145 13.385 11.813 5.139 1.00 3.16 N ATOM 0 H ARG A 145 7.157 6.152 4.738 1.00 0.47 H new ATOM 0 HA ARG A 145 9.910 5.551 4.877 1.00 0.48 H new ATOM 0 HB2 ARG A 145 8.662 7.776 4.347 1.00 0.49 H new ATOM 0 HB3 ARG A 145 8.533 8.000 6.080 1.00 0.49 H new ATOM 0 HG2 ARG A 145 11.094 7.639 6.193 1.00 0.69 H new ATOM 0 HG3 ARG A 145 11.102 7.743 4.444 1.00 0.69 H new ATOM 0 HD2 ARG A 145 9.964 9.998 4.604 1.00 0.68 H new ATOM 0 HD3 ARG A 145 10.052 9.895 6.351 1.00 0.68 H new ATOM 0 HE ARG A 145 12.721 9.456 5.523 1.00 1.56 H new ATOM 0 HH11 ARG A 145 10.202 11.833 5.061 1.00 2.12 H new ATOM 0 HH12 ARG A 145 11.333 13.176 4.863 1.00 2.12 H new ATOM 0 HH21 ARG A 145 14.168 11.172 5.266 1.00 3.16 H new ATOM 0 HH22 ARG A 145 13.559 12.805 4.978 1.00 3.16 H new ATOM 2237 N GLU A 146 8.456 5.731 7.838 1.00 0.49 N ATOM 2238 CA GLU A 146 8.750 5.480 9.286 1.00 0.51 C ATOM 2239 C GLU A 146 8.872 3.981 9.622 1.00 0.53 C ATOM 2240 O GLU A 146 9.745 3.641 10.397 1.00 0.55 O ATOM 2241 CB GLU A 146 7.678 6.119 10.173 1.00 0.52 C ATOM 2242 CG GLU A 146 7.777 7.642 10.106 1.00 0.96 C ATOM 2243 CD GLU A 146 6.543 8.255 10.772 1.00 1.48 C ATOM 2244 OE1 GLU A 146 6.492 8.256 11.991 1.00 2.22 O ATOM 2245 OE2 GLU A 146 5.670 8.710 10.052 1.00 2.03 O ATOM 0 H GLU A 146 7.481 5.928 7.614 1.00 0.49 H new ATOM 0 HA GLU A 146 9.718 5.939 9.486 1.00 0.51 H new ATOM 0 HB2 GLU A 146 6.688 5.797 9.849 1.00 0.52 H new ATOM 0 HB3 GLU A 146 7.801 5.784 11.203 1.00 0.52 H new ATOM 0 HG2 GLU A 146 8.683 7.982 10.608 1.00 0.96 H new ATOM 0 HG3 GLU A 146 7.845 7.969 9.068 1.00 0.96 H new ATOM 2252 N ARG A 147 8.025 3.078 9.147 1.00 0.59 N ATOM 2253 CA ARG A 147 8.186 1.636 9.607 1.00 0.62 C ATOM 2254 C ARG A 147 8.554 0.670 8.478 1.00 0.58 C ATOM 2255 O ARG A 147 9.445 -0.146 8.614 1.00 0.62 O ATOM 2256 CB ARG A 147 6.876 1.196 10.265 1.00 0.63 C ATOM 2257 CG ARG A 147 6.718 1.933 11.610 1.00 0.73 C ATOM 2258 CD ARG A 147 5.243 1.996 12.000 1.00 1.11 C ATOM 2259 NE ARG A 147 5.095 2.693 13.322 1.00 1.75 N ATOM 2260 CZ ARG A 147 5.679 2.251 14.406 1.00 2.40 C ATOM 2261 NH1 ARG A 147 6.277 1.090 14.416 1.00 2.71 N ATOM 2262 NH2 ARG A 147 5.620 2.955 15.503 1.00 3.30 N ATOM 0 H ARG A 147 7.264 3.259 8.493 1.00 0.59 H new ATOM 0 HA ARG A 147 9.018 1.603 10.310 1.00 0.62 H new ATOM 0 HB2 ARG A 147 6.033 1.420 9.612 1.00 0.63 H new ATOM 0 HB3 ARG A 147 6.878 0.118 10.424 1.00 0.63 H new ATOM 0 HG2 ARG A 147 7.286 1.419 12.385 1.00 0.73 H new ATOM 0 HG3 ARG A 147 7.126 2.941 11.532 1.00 0.73 H new ATOM 0 HD2 ARG A 147 4.677 2.526 11.234 1.00 1.11 H new ATOM 0 HD3 ARG A 147 4.830 0.989 12.061 1.00 1.11 H new ATOM 0 HE ARG A 147 4.523 3.535 13.376 1.00 1.75 H new ATOM 0 HH11 ARG A 147 6.292 0.517 13.572 1.00 2.71 H new ATOM 0 HH12 ARG A 147 6.729 0.756 15.267 1.00 2.71 H new ATOM 0 HH21 ARG A 147 5.121 3.844 15.512 1.00 3.30 H new ATOM 0 HH22 ARG A 147 6.073 2.616 16.352 1.00 3.30 H new ATOM 2276 N LEU A 148 7.862 0.730 7.377 1.00 0.53 N ATOM 2277 CA LEU A 148 8.132 -0.198 6.236 1.00 0.57 C ATOM 2278 C LEU A 148 9.337 0.276 5.410 1.00 0.67 C ATOM 2279 O LEU A 148 9.436 -0.024 4.235 1.00 1.61 O ATOM 2280 CB LEU A 148 6.867 -0.202 5.341 1.00 0.59 C ATOM 2281 CG LEU A 148 5.958 -1.398 5.667 1.00 0.70 C ATOM 2282 CD1 LEU A 148 5.720 -1.486 7.188 1.00 1.29 C ATOM 2283 CD2 LEU A 148 4.622 -1.206 4.935 1.00 1.34 C ATOM 0 H LEU A 148 7.106 1.394 7.213 1.00 0.53 H new ATOM 0 HA LEU A 148 8.360 -1.194 6.615 1.00 0.57 H new ATOM 0 HB2 LEU A 148 6.315 0.727 5.483 1.00 0.59 H new ATOM 0 HB3 LEU A 148 7.161 -0.241 4.292 1.00 0.59 H new ATOM 0 HG LEU A 148 6.432 -2.324 5.341 1.00 0.70 H new ATOM 0 HD11 LEU A 148 5.075 -2.337 7.407 1.00 1.29 H new ATOM 0 HD12 LEU A 148 6.674 -1.614 7.699 1.00 1.29 H new ATOM 0 HD13 LEU A 148 5.242 -0.570 7.535 1.00 1.29 H new ATOM 0 HD21 LEU A 148 3.963 -2.046 5.154 1.00 1.34 H new ATOM 0 HD22 LEU A 148 4.154 -0.280 5.269 1.00 1.34 H new ATOM 0 HD23 LEU A 148 4.800 -1.155 3.861 1.00 1.34 H new ATOM 2295 N LEU A 149 10.272 0.977 6.003 1.00 0.67 N ATOM 2296 CA LEU A 149 11.477 1.416 5.223 1.00 0.57 C ATOM 2297 C LEU A 149 12.631 0.470 5.577 1.00 0.56 C ATOM 2298 O LEU A 149 13.300 -0.055 4.711 1.00 0.58 O ATOM 2299 CB LEU A 149 11.845 2.887 5.551 1.00 0.54 C ATOM 2300 CG LEU A 149 12.180 3.684 4.266 1.00 0.59 C ATOM 2301 CD1 LEU A 149 12.626 5.114 4.637 1.00 0.83 C ATOM 2302 CD2 LEU A 149 13.313 3.004 3.477 1.00 1.21 C ATOM 0 H LEU A 149 10.257 1.263 6.982 1.00 0.67 H new ATOM 0 HA LEU A 149 11.269 1.373 4.154 1.00 0.57 H new ATOM 0 HB2 LEU A 149 11.015 3.364 6.071 1.00 0.54 H new ATOM 0 HB3 LEU A 149 12.699 2.908 6.228 1.00 0.54 H new ATOM 0 HG LEU A 149 11.283 3.717 3.648 1.00 0.59 H new ATOM 0 HD11 LEU A 149 12.860 5.669 3.729 1.00 0.83 H new ATOM 0 HD12 LEU A 149 11.822 5.618 5.173 1.00 0.83 H new ATOM 0 HD13 LEU A 149 13.511 5.066 5.271 1.00 0.83 H new ATOM 0 HD21 LEU A 149 13.529 3.583 2.579 1.00 1.21 H new ATOM 0 HD22 LEU A 149 14.207 2.950 4.098 1.00 1.21 H new ATOM 0 HD23 LEU A 149 13.006 1.997 3.194 1.00 1.21 H new ATOM 2314 N GLY A 150 12.861 0.238 6.840 1.00 0.56 N ATOM 2315 CA GLY A 150 13.963 -0.685 7.237 1.00 0.58 C ATOM 2316 C GLY A 150 13.595 -2.124 6.854 1.00 0.62 C ATOM 2317 O GLY A 150 14.449 -2.933 6.551 1.00 0.70 O ATOM 0 H GLY A 150 12.335 0.646 7.613 1.00 0.56 H new ATOM 0 HA2 GLY A 150 14.890 -0.393 6.744 1.00 0.58 H new ATOM 0 HA3 GLY A 150 14.138 -0.618 8.311 1.00 0.58 H new ATOM 2321 N TRP A 151 12.329 -2.455 6.888 1.00 0.63 N ATOM 2322 CA TRP A 151 11.906 -3.849 6.551 1.00 0.69 C ATOM 2323 C TRP A 151 12.060 -4.113 5.051 1.00 0.70 C ATOM 2324 O TRP A 151 12.413 -5.201 4.642 1.00 0.72 O ATOM 2325 CB TRP A 151 10.441 -4.045 6.945 1.00 0.73 C ATOM 2326 CG TRP A 151 10.010 -5.432 6.584 1.00 1.25 C ATOM 2327 CD1 TRP A 151 9.571 -5.816 5.363 1.00 2.17 C ATOM 2328 CD2 TRP A 151 9.971 -6.621 7.426 1.00 1.86 C ATOM 2329 NE1 TRP A 151 9.265 -7.165 5.402 1.00 2.65 N ATOM 2330 CE2 TRP A 151 9.495 -7.705 6.652 1.00 2.43 C ATOM 2331 CE3 TRP A 151 10.298 -6.861 8.772 1.00 2.68 C ATOM 2332 CZ2 TRP A 151 9.349 -8.983 7.194 1.00 3.17 C ATOM 2333 CZ3 TRP A 151 10.153 -8.145 9.321 1.00 3.62 C ATOM 2334 CH2 TRP A 151 9.679 -9.204 8.534 1.00 3.67 C ATOM 0 H TRP A 151 11.570 -1.820 7.135 1.00 0.63 H new ATOM 0 HA TRP A 151 12.540 -4.546 7.099 1.00 0.69 H new ATOM 0 HB2 TRP A 151 10.316 -3.880 8.015 1.00 0.73 H new ATOM 0 HB3 TRP A 151 9.815 -3.313 6.435 1.00 0.73 H new ATOM 0 HD1 TRP A 151 9.475 -5.175 4.499 1.00 2.17 H new ATOM 0 HE1 TRP A 151 8.913 -7.695 4.605 1.00 2.65 H new ATOM 0 HE3 TRP A 151 10.663 -6.052 9.388 1.00 2.68 H new ATOM 0 HZ2 TRP A 151 8.984 -9.795 6.583 1.00 3.17 H new ATOM 0 HZ3 TRP A 151 10.408 -8.318 10.356 1.00 3.62 H new ATOM 0 HH2 TRP A 151 9.569 -10.189 8.963 1.00 3.67 H new ATOM 2345 N ILE A 152 11.802 -3.135 4.226 1.00 0.73 N ATOM 2346 CA ILE A 152 11.941 -3.359 2.758 1.00 0.76 C ATOM 2347 C ILE A 152 13.426 -3.349 2.401 1.00 0.79 C ATOM 2348 O ILE A 152 13.872 -4.062 1.525 1.00 0.89 O ATOM 2349 CB ILE A 152 11.203 -2.258 1.992 1.00 0.78 C ATOM 2350 CG1 ILE A 152 9.715 -2.312 2.355 1.00 0.83 C ATOM 2351 CG2 ILE A 152 11.370 -2.481 0.484 1.00 0.92 C ATOM 2352 CD1 ILE A 152 8.973 -1.154 1.684 1.00 0.94 C ATOM 0 H ILE A 152 11.504 -2.199 4.501 1.00 0.73 H new ATOM 0 HA ILE A 152 11.506 -4.320 2.484 1.00 0.76 H new ATOM 0 HB ILE A 152 11.614 -1.284 2.258 1.00 0.78 H new ATOM 0 HG12 ILE A 152 9.288 -3.263 2.036 1.00 0.83 H new ATOM 0 HG13 ILE A 152 9.593 -2.255 3.437 1.00 0.83 H new ATOM 0 HG21 ILE A 152 10.844 -1.697 -0.060 1.00 0.92 H new ATOM 0 HG22 ILE A 152 12.429 -2.453 0.227 1.00 0.92 H new ATOM 0 HG23 ILE A 152 10.956 -3.452 0.212 1.00 0.92 H new ATOM 0 HD11 ILE A 152 7.916 -1.199 1.946 1.00 0.94 H new ATOM 0 HD12 ILE A 152 9.392 -0.207 2.025 1.00 0.94 H new ATOM 0 HD13 ILE A 152 9.082 -1.230 0.602 1.00 0.94 H new ATOM 2364 N GLN A 153 14.195 -2.552 3.089 1.00 0.77 N ATOM 2365 CA GLN A 153 15.655 -2.500 2.809 1.00 0.80 C ATOM 2366 C GLN A 153 16.264 -3.879 3.087 1.00 0.81 C ATOM 2367 O GLN A 153 17.053 -4.379 2.311 1.00 0.82 O ATOM 2368 CB GLN A 153 16.311 -1.434 3.695 1.00 0.82 C ATOM 2369 CG GLN A 153 17.653 -1.000 3.099 1.00 1.09 C ATOM 2370 CD GLN A 153 18.231 0.139 3.941 1.00 1.98 C ATOM 2371 OE1 GLN A 153 17.655 1.207 4.018 1.00 2.66 O ATOM 2372 NE2 GLN A 153 19.354 -0.044 4.581 1.00 2.77 N ATOM 0 H GLN A 153 13.874 -1.934 3.834 1.00 0.77 H new ATOM 0 HA GLN A 153 15.827 -2.236 1.766 1.00 0.80 H new ATOM 0 HB2 GLN A 153 15.651 -0.572 3.788 1.00 0.82 H new ATOM 0 HB3 GLN A 153 16.462 -1.829 4.700 1.00 0.82 H new ATOM 0 HG2 GLN A 153 18.345 -1.842 3.079 1.00 1.09 H new ATOM 0 HG3 GLN A 153 17.518 -0.674 2.068 1.00 1.09 H new ATOM 0 HE21 GLN A 153 19.838 -0.940 4.517 1.00 2.77 H new ATOM 0 HE22 GLN A 153 19.748 0.709 5.145 1.00 2.77 H new ATOM 2381 N ASP A 154 15.919 -4.498 4.183 1.00 0.83 N ATOM 2382 CA ASP A 154 16.505 -5.837 4.479 1.00 0.86 C ATOM 2383 C ASP A 154 16.177 -6.800 3.331 1.00 0.85 C ATOM 2384 O ASP A 154 16.918 -7.719 3.049 1.00 0.94 O ATOM 2385 CB ASP A 154 15.928 -6.373 5.791 1.00 0.90 C ATOM 2386 CG ASP A 154 16.605 -7.698 6.147 1.00 1.28 C ATOM 2387 OD1 ASP A 154 16.354 -8.673 5.457 1.00 1.84 O ATOM 2388 OD2 ASP A 154 17.360 -7.716 7.105 1.00 1.99 O ATOM 0 H ASP A 154 15.265 -4.140 4.879 1.00 0.83 H new ATOM 0 HA ASP A 154 17.587 -5.749 4.577 1.00 0.86 H new ATOM 0 HB2 ASP A 154 16.082 -5.648 6.590 1.00 0.90 H new ATOM 0 HB3 ASP A 154 14.852 -6.517 5.694 1.00 0.90 H new ATOM 2393 N GLN A 155 15.069 -6.590 2.668 1.00 0.79 N ATOM 2394 CA GLN A 155 14.687 -7.486 1.535 1.00 0.79 C ATOM 2395 C GLN A 155 15.737 -7.397 0.424 1.00 0.72 C ATOM 2396 O GLN A 155 16.189 -8.395 -0.101 1.00 1.03 O ATOM 2397 CB GLN A 155 13.328 -7.057 0.979 1.00 0.90 C ATOM 2398 CG GLN A 155 12.807 -8.136 0.028 1.00 1.37 C ATOM 2399 CD GLN A 155 11.453 -7.709 -0.540 1.00 2.01 C ATOM 2400 OE1 GLN A 155 11.337 -6.660 -1.142 1.00 2.72 O ATOM 2401 NE2 GLN A 155 10.417 -8.484 -0.374 1.00 2.54 N ATOM 0 H GLN A 155 14.411 -5.835 2.863 1.00 0.79 H new ATOM 0 HA GLN A 155 14.629 -8.513 1.897 1.00 0.79 H new ATOM 0 HB2 GLN A 155 12.621 -6.902 1.794 1.00 0.90 H new ATOM 0 HB3 GLN A 155 13.421 -6.107 0.453 1.00 0.90 H new ATOM 0 HG2 GLN A 155 13.519 -8.295 -0.782 1.00 1.37 H new ATOM 0 HG3 GLN A 155 12.708 -9.084 0.557 1.00 1.37 H new ATOM 0 HE21 GLN A 155 10.515 -9.365 0.131 1.00 2.54 H new ATOM 0 HE22 GLN A 155 9.509 -8.209 -0.750 1.00 2.54 H new ATOM 2410 N GLY A 156 16.136 -6.199 0.078 1.00 0.63 N ATOM 2411 CA GLY A 156 17.175 -6.004 -0.984 1.00 0.72 C ATOM 2412 C GLY A 156 16.580 -5.253 -2.184 1.00 0.87 C ATOM 2413 O GLY A 156 17.257 -5.033 -3.169 1.00 1.38 O ATOM 0 H GLY A 156 15.782 -5.336 0.491 1.00 0.63 H new ATOM 0 HA2 GLY A 156 18.018 -5.445 -0.578 1.00 0.72 H new ATOM 0 HA3 GLY A 156 17.560 -6.971 -1.307 1.00 0.72 H new ATOM 2417 N GLY A 157 15.331 -4.847 -2.118 1.00 0.81 N ATOM 2418 CA GLY A 157 14.719 -4.095 -3.270 1.00 1.10 C ATOM 2419 C GLY A 157 13.326 -4.644 -3.597 1.00 0.84 C ATOM 2420 O GLY A 157 13.001 -5.778 -3.308 1.00 0.88 O ATOM 0 H GLY A 157 14.711 -5.001 -1.323 1.00 0.81 H new ATOM 0 HA2 GLY A 157 14.649 -3.036 -3.023 1.00 1.10 H new ATOM 0 HA3 GLY A 157 15.362 -4.176 -4.146 1.00 1.10 H new ATOM 2424 N TRP A 158 12.500 -3.822 -4.199 1.00 0.67 N ATOM 2425 CA TRP A 158 11.116 -4.251 -4.557 1.00 0.50 C ATOM 2426 C TRP A 158 11.159 -5.512 -5.426 1.00 0.51 C ATOM 2427 O TRP A 158 10.137 -6.104 -5.718 1.00 0.53 O ATOM 2428 CB TRP A 158 10.412 -3.124 -5.318 1.00 0.51 C ATOM 2429 CG TRP A 158 10.168 -1.972 -4.397 1.00 0.46 C ATOM 2430 CD1 TRP A 158 11.123 -1.140 -3.921 1.00 0.59 C ATOM 2431 CD2 TRP A 158 8.907 -1.510 -3.835 1.00 0.46 C ATOM 2432 NE1 TRP A 158 10.526 -0.200 -3.100 1.00 0.55 N ATOM 2433 CE2 TRP A 158 9.162 -0.387 -3.015 1.00 0.47 C ATOM 2434 CE3 TRP A 158 7.580 -1.954 -3.956 1.00 0.65 C ATOM 2435 CZ2 TRP A 158 8.135 0.273 -2.337 1.00 0.58 C ATOM 2436 CZ3 TRP A 158 6.543 -1.295 -3.276 1.00 0.84 C ATOM 2437 CH2 TRP A 158 6.821 -0.184 -2.467 1.00 0.78 C ATOM 0 H TRP A 158 12.731 -2.863 -4.459 1.00 0.67 H new ATOM 0 HA TRP A 158 10.566 -4.473 -3.642 1.00 0.50 H new ATOM 0 HB2 TRP A 158 11.023 -2.805 -6.162 1.00 0.51 H new ATOM 0 HB3 TRP A 158 9.467 -3.482 -5.726 1.00 0.51 H new ATOM 0 HD1 TRP A 158 12.178 -1.200 -4.145 1.00 0.59 H new ATOM 0 HE1 TRP A 158 11.033 0.541 -2.616 1.00 0.55 H new ATOM 0 HE3 TRP A 158 7.355 -2.809 -4.577 1.00 0.65 H new ATOM 0 HZ2 TRP A 158 8.355 1.130 -1.717 1.00 0.58 H new ATOM 0 HZ3 TRP A 158 5.526 -1.646 -3.377 1.00 0.84 H new ATOM 0 HH2 TRP A 158 6.020 0.318 -1.945 1.00 0.78 H new ATOM 2448 N ASP A 159 12.317 -5.934 -5.846 1.00 0.50 N ATOM 2449 CA ASP A 159 12.385 -7.158 -6.692 1.00 0.51 C ATOM 2450 C ASP A 159 11.789 -8.335 -5.914 1.00 0.51 C ATOM 2451 O ASP A 159 11.197 -9.231 -6.483 1.00 0.51 O ATOM 2452 CB ASP A 159 13.843 -7.455 -7.046 1.00 0.54 C ATOM 2453 CG ASP A 159 14.668 -7.567 -5.762 1.00 1.66 C ATOM 2454 OD1 ASP A 159 14.770 -8.666 -5.242 1.00 2.37 O ATOM 2455 OD2 ASP A 159 15.183 -6.553 -5.322 1.00 2.46 O ATOM 0 H ASP A 159 13.213 -5.490 -5.643 1.00 0.50 H new ATOM 0 HA ASP A 159 11.820 -7.005 -7.612 1.00 0.51 H new ATOM 0 HB2 ASP A 159 13.908 -8.382 -7.615 1.00 0.54 H new ATOM 0 HB3 ASP A 159 14.243 -6.663 -7.680 1.00 0.54 H new ATOM 2460 N GLY A 160 11.931 -8.335 -4.614 1.00 0.52 N ATOM 2461 CA GLY A 160 11.363 -9.448 -3.800 1.00 0.54 C ATOM 2462 C GLY A 160 9.839 -9.431 -3.928 1.00 0.53 C ATOM 2463 O GLY A 160 9.189 -10.457 -3.888 1.00 0.54 O ATOM 0 H GLY A 160 12.416 -7.612 -4.082 1.00 0.52 H new ATOM 0 HA2 GLY A 160 11.759 -10.404 -4.142 1.00 0.54 H new ATOM 0 HA3 GLY A 160 11.654 -9.337 -2.756 1.00 0.54 H new ATOM 2467 N LEU A 161 9.266 -8.273 -4.098 1.00 0.54 N ATOM 2468 CA LEU A 161 7.788 -8.182 -4.250 1.00 0.56 C ATOM 2469 C LEU A 161 7.360 -8.972 -5.487 1.00 0.56 C ATOM 2470 O LEU A 161 6.492 -9.820 -5.439 1.00 0.62 O ATOM 2471 CB LEU A 161 7.392 -6.694 -4.433 1.00 0.58 C ATOM 2472 CG LEU A 161 6.005 -6.449 -3.805 1.00 0.74 C ATOM 2473 CD1 LEU A 161 5.630 -4.971 -3.907 1.00 1.63 C ATOM 2474 CD2 LEU A 161 4.957 -7.295 -4.533 1.00 1.56 C ATOM 0 H LEU A 161 9.760 -7.382 -4.138 1.00 0.54 H new ATOM 0 HA LEU A 161 7.298 -8.591 -3.366 1.00 0.56 H new ATOM 0 HB2 LEU A 161 8.135 -6.049 -3.963 1.00 0.58 H new ATOM 0 HB3 LEU A 161 7.373 -6.439 -5.493 1.00 0.58 H new ATOM 0 HG LEU A 161 6.039 -6.732 -2.753 1.00 0.74 H new ATOM 0 HD11 LEU A 161 4.649 -4.813 -3.460 1.00 1.63 H new ATOM 0 HD12 LEU A 161 6.371 -4.370 -3.379 1.00 1.63 H new ATOM 0 HD13 LEU A 161 5.603 -4.674 -4.955 1.00 1.63 H new ATOM 0 HD21 LEU A 161 3.977 -7.122 -4.089 1.00 1.56 H new ATOM 0 HD22 LEU A 161 4.932 -7.016 -5.587 1.00 1.56 H new ATOM 0 HD23 LEU A 161 5.215 -8.350 -4.443 1.00 1.56 H new ATOM 2486 N LEU A 162 7.969 -8.668 -6.606 1.00 0.53 N ATOM 2487 CA LEU A 162 7.624 -9.356 -7.882 1.00 0.56 C ATOM 2488 C LEU A 162 8.146 -10.797 -7.836 1.00 0.55 C ATOM 2489 O LEU A 162 7.568 -11.685 -8.434 1.00 0.57 O ATOM 2490 CB LEU A 162 8.247 -8.563 -9.048 1.00 0.61 C ATOM 2491 CG LEU A 162 8.122 -9.315 -10.381 1.00 0.80 C ATOM 2492 CD1 LEU A 162 6.644 -9.501 -10.736 1.00 1.56 C ATOM 2493 CD2 LEU A 162 8.811 -8.496 -11.484 1.00 1.33 C ATOM 0 H LEU A 162 8.701 -7.962 -6.687 1.00 0.53 H new ATOM 0 HA LEU A 162 6.544 -9.396 -8.026 1.00 0.56 H new ATOM 0 HB2 LEU A 162 7.757 -7.593 -9.131 1.00 0.61 H new ATOM 0 HB3 LEU A 162 9.299 -8.371 -8.836 1.00 0.61 H new ATOM 0 HG LEU A 162 8.595 -10.293 -10.293 1.00 0.80 H new ATOM 0 HD11 LEU A 162 6.562 -10.035 -11.683 1.00 1.56 H new ATOM 0 HD12 LEU A 162 6.151 -10.075 -9.951 1.00 1.56 H new ATOM 0 HD13 LEU A 162 6.166 -8.526 -10.827 1.00 1.56 H new ATOM 0 HD21 LEU A 162 8.727 -9.023 -12.435 1.00 1.33 H new ATOM 0 HD22 LEU A 162 8.332 -7.521 -11.566 1.00 1.33 H new ATOM 0 HD23 LEU A 162 9.864 -8.363 -11.235 1.00 1.33 H new ATOM 2505 N SER A 163 9.213 -11.057 -7.139 1.00 0.54 N ATOM 2506 CA SER A 163 9.715 -12.458 -7.084 1.00 0.56 C ATOM 2507 C SER A 163 8.690 -13.331 -6.348 1.00 0.53 C ATOM 2508 O SER A 163 8.635 -14.530 -6.534 1.00 0.60 O ATOM 2509 CB SER A 163 11.048 -12.500 -6.340 1.00 0.63 C ATOM 2510 OG SER A 163 11.936 -11.553 -6.918 1.00 1.32 O ATOM 0 H SER A 163 9.754 -10.372 -6.611 1.00 0.54 H new ATOM 0 HA SER A 163 9.859 -12.833 -8.097 1.00 0.56 H new ATOM 0 HB2 SER A 163 10.896 -12.276 -5.284 1.00 0.63 H new ATOM 0 HB3 SER A 163 11.478 -13.500 -6.395 1.00 0.63 H new ATOM 0 HG SER A 163 11.827 -10.687 -6.471 1.00 1.32 H new ATOM 2516 N TYR A 164 7.869 -12.731 -5.518 1.00 0.59 N ATOM 2517 CA TYR A 164 6.834 -13.515 -4.772 1.00 0.64 C ATOM 2518 C TYR A 164 5.514 -13.479 -5.548 1.00 0.63 C ATOM 2519 O TYR A 164 4.774 -14.441 -5.592 1.00 0.68 O ATOM 2520 CB TYR A 164 6.633 -12.907 -3.377 1.00 0.69 C ATOM 2521 CG TYR A 164 5.413 -13.518 -2.716 1.00 0.72 C ATOM 2522 CD1 TYR A 164 5.531 -14.703 -1.977 1.00 1.34 C ATOM 2523 CD2 TYR A 164 4.164 -12.898 -2.848 1.00 1.50 C ATOM 2524 CE1 TYR A 164 4.399 -15.265 -1.371 1.00 1.35 C ATOM 2525 CE2 TYR A 164 3.034 -13.460 -2.243 1.00 1.57 C ATOM 2526 CZ TYR A 164 3.151 -14.644 -1.504 1.00 0.87 C ATOM 2527 OH TYR A 164 2.036 -15.197 -0.908 1.00 0.97 O ATOM 0 H TYR A 164 7.872 -11.729 -5.325 1.00 0.59 H new ATOM 0 HA TYR A 164 7.164 -14.548 -4.667 1.00 0.64 H new ATOM 0 HB2 TYR A 164 7.516 -13.084 -2.763 1.00 0.69 H new ATOM 0 HB3 TYR A 164 6.511 -11.827 -3.456 1.00 0.69 H new ATOM 0 HD1 TYR A 164 6.493 -15.183 -1.875 1.00 1.34 H new ATOM 0 HD2 TYR A 164 4.073 -11.985 -3.417 1.00 1.50 H new ATOM 0 HE1 TYR A 164 4.489 -16.178 -0.801 1.00 1.35 H new ATOM 0 HE2 TYR A 164 2.072 -12.981 -2.346 1.00 1.57 H new ATOM 0 HH TYR A 164 1.253 -14.639 -1.098 1.00 0.97 H new ATOM 2537 N PHE A 165 5.215 -12.360 -6.152 1.00 0.64 N ATOM 2538 CA PHE A 165 3.946 -12.232 -6.920 1.00 0.72 C ATOM 2539 C PHE A 165 3.986 -13.163 -8.132 1.00 0.82 C ATOM 2540 O PHE A 165 3.045 -13.241 -8.897 1.00 1.56 O ATOM 2541 CB PHE A 165 3.785 -10.783 -7.384 1.00 0.74 C ATOM 2542 CG PHE A 165 2.370 -10.559 -7.866 1.00 0.84 C ATOM 2543 CD1 PHE A 165 1.311 -10.573 -6.949 1.00 1.42 C ATOM 2544 CD2 PHE A 165 2.114 -10.339 -9.227 1.00 1.65 C ATOM 2545 CE1 PHE A 165 -0.001 -10.368 -7.391 1.00 1.71 C ATOM 2546 CE2 PHE A 165 0.801 -10.134 -9.667 1.00 1.96 C ATOM 2547 CZ PHE A 165 -0.256 -10.149 -8.750 1.00 1.66 C ATOM 0 H PHE A 165 5.800 -11.525 -6.145 1.00 0.64 H new ATOM 0 HA PHE A 165 3.102 -12.507 -6.287 1.00 0.72 H new ATOM 0 HB2 PHE A 165 4.013 -10.101 -6.565 1.00 0.74 H new ATOM 0 HB3 PHE A 165 4.491 -10.567 -8.185 1.00 0.74 H new ATOM 0 HD1 PHE A 165 1.507 -10.742 -5.900 1.00 1.42 H new ATOM 0 HD2 PHE A 165 2.929 -10.328 -9.935 1.00 1.65 H new ATOM 0 HE1 PHE A 165 -0.817 -10.379 -6.684 1.00 1.71 H new ATOM 0 HE2 PHE A 165 0.604 -9.964 -10.715 1.00 1.96 H new ATOM 0 HZ PHE A 165 -1.269 -9.992 -9.091 1.00 1.66 H new ATOM 2557 N GLY A 166 5.068 -13.867 -8.317 1.00 0.94 N ATOM 2558 CA GLY A 166 5.169 -14.792 -9.483 1.00 1.01 C ATOM 2559 C GLY A 166 4.584 -16.154 -9.104 1.00 1.23 C ATOM 2560 O GLY A 166 5.099 -17.186 -9.484 1.00 1.85 O ATOM 0 H GLY A 166 5.888 -13.842 -7.711 1.00 0.94 H new ATOM 0 HA2 GLY A 166 4.632 -14.378 -10.337 1.00 1.01 H new ATOM 0 HA3 GLY A 166 6.211 -14.902 -9.784 1.00 1.01 H new ATOM 2606 N TRP A 170 -3.311 -17.545 -9.167 1.00 1.04 N ATOM 2607 CA TRP A 170 -3.515 -16.114 -8.787 1.00 1.01 C ATOM 2608 C TRP A 170 -4.758 -15.990 -7.900 1.00 0.92 C ATOM 2609 O TRP A 170 -4.998 -14.968 -7.288 1.00 0.95 O ATOM 2610 CB TRP A 170 -3.710 -15.278 -10.055 1.00 1.32 C ATOM 2611 CG TRP A 170 -4.694 -15.956 -10.954 1.00 1.70 C ATOM 2612 CD1 TRP A 170 -6.032 -15.987 -10.758 1.00 2.30 C ATOM 2613 CD2 TRP A 170 -4.443 -16.698 -12.183 1.00 2.52 C ATOM 2614 NE1 TRP A 170 -6.618 -16.700 -11.789 1.00 3.04 N ATOM 2615 CE2 TRP A 170 -5.680 -17.159 -12.692 1.00 3.15 C ATOM 2616 CE3 TRP A 170 -3.273 -17.013 -12.900 1.00 3.32 C ATOM 2617 CZ2 TRP A 170 -5.756 -17.905 -13.869 1.00 4.11 C ATOM 2618 CZ3 TRP A 170 -3.346 -17.764 -14.084 1.00 4.37 C ATOM 2619 CH2 TRP A 170 -4.584 -18.209 -14.568 1.00 4.64 C ATOM 0 HA TRP A 170 -2.643 -15.755 -8.240 1.00 1.01 H new ATOM 0 HB2 TRP A 170 -4.066 -14.281 -9.795 1.00 1.32 H new ATOM 0 HB3 TRP A 170 -2.758 -15.152 -10.570 1.00 1.32 H new ATOM 0 HD1 TRP A 170 -6.557 -15.530 -9.932 1.00 2.30 H new ATOM 0 HE1 TRP A 170 -7.621 -16.866 -11.872 1.00 3.04 H new ATOM 0 HE3 TRP A 170 -2.314 -16.675 -12.537 1.00 3.32 H new ATOM 0 HZ2 TRP A 170 -6.713 -18.245 -14.237 1.00 4.11 H new ATOM 0 HZ3 TRP A 170 -2.442 -18.000 -14.626 1.00 4.37 H new ATOM 0 HH2 TRP A 170 -4.632 -18.786 -15.480 1.00 4.64 H new ATOM 2630 N GLN A 171 -5.551 -17.024 -7.828 1.00 0.88 N ATOM 2631 CA GLN A 171 -6.778 -16.969 -6.984 1.00 0.84 C ATOM 2632 C GLN A 171 -6.383 -17.008 -5.504 1.00 0.75 C ATOM 2633 O GLN A 171 -7.175 -16.694 -4.639 1.00 0.75 O ATOM 2634 CB GLN A 171 -7.676 -18.166 -7.323 1.00 0.88 C ATOM 2635 CG GLN A 171 -9.092 -17.927 -6.795 1.00 1.57 C ATOM 2636 CD GLN A 171 -9.768 -16.828 -7.618 1.00 1.93 C ATOM 2637 OE1 GLN A 171 -10.247 -15.854 -7.074 1.00 2.66 O ATOM 2638 NE2 GLN A 171 -9.826 -16.944 -8.917 1.00 2.34 N ATOM 0 H GLN A 171 -5.402 -17.906 -8.318 1.00 0.88 H new ATOM 0 HA GLN A 171 -7.322 -16.045 -7.180 1.00 0.84 H new ATOM 0 HB2 GLN A 171 -7.703 -18.317 -8.402 1.00 0.88 H new ATOM 0 HB3 GLN A 171 -7.265 -19.075 -6.884 1.00 0.88 H new ATOM 0 HG2 GLN A 171 -9.673 -18.848 -6.853 1.00 1.57 H new ATOM 0 HG3 GLN A 171 -9.055 -17.638 -5.745 1.00 1.57 H new ATOM 0 HE21 GLN A 171 -9.424 -17.762 -9.374 1.00 2.34 H new ATOM 0 HE22 GLN A 171 -10.274 -16.217 -9.475 1.00 2.34 H new ATOM 2647 N THR A 172 -5.168 -17.375 -5.201 1.00 0.67 N ATOM 2648 CA THR A 172 -4.751 -17.411 -3.773 1.00 0.60 C ATOM 2649 C THR A 172 -4.488 -15.969 -3.348 1.00 0.59 C ATOM 2650 O THR A 172 -5.148 -15.446 -2.472 1.00 0.74 O ATOM 2651 CB THR A 172 -3.500 -18.293 -3.622 1.00 0.59 C ATOM 2652 OG1 THR A 172 -3.904 -19.657 -3.630 1.00 0.81 O ATOM 2653 CG2 THR A 172 -2.782 -17.994 -2.303 1.00 0.92 C ATOM 0 H THR A 172 -4.453 -17.649 -5.874 1.00 0.67 H new ATOM 0 HA THR A 172 -5.522 -17.844 -3.136 1.00 0.60 H new ATOM 0 HB THR A 172 -2.817 -18.086 -4.446 1.00 0.59 H new ATOM 0 HG1 THR A 172 -3.116 -20.232 -3.536 1.00 0.81 H new ATOM 0 HG21 THR A 172 -1.900 -18.629 -2.217 1.00 0.92 H new ATOM 0 HG22 THR A 172 -2.479 -16.947 -2.283 1.00 0.92 H new ATOM 0 HG23 THR A 172 -3.455 -18.193 -1.469 1.00 0.92 H new ATOM 2661 N VAL A 173 -3.538 -15.319 -3.947 1.00 0.59 N ATOM 2662 CA VAL A 173 -3.247 -13.909 -3.563 1.00 0.58 C ATOM 2663 C VAL A 173 -4.549 -13.096 -3.471 1.00 0.57 C ATOM 2664 O VAL A 173 -4.683 -12.227 -2.632 1.00 0.60 O ATOM 2665 CB VAL A 173 -2.335 -13.292 -4.622 1.00 0.64 C ATOM 2666 CG1 VAL A 173 -0.924 -13.862 -4.473 1.00 1.13 C ATOM 2667 CG2 VAL A 173 -2.872 -13.617 -6.016 1.00 1.01 C ATOM 0 H VAL A 173 -2.948 -15.699 -4.687 1.00 0.59 H new ATOM 0 HA VAL A 173 -2.760 -13.894 -2.588 1.00 0.58 H new ATOM 0 HB VAL A 173 -2.307 -12.210 -4.490 1.00 0.64 H new ATOM 0 HG11 VAL A 173 -0.272 -13.422 -5.228 1.00 1.13 H new ATOM 0 HG12 VAL A 173 -0.539 -13.627 -3.481 1.00 1.13 H new ATOM 0 HG13 VAL A 173 -0.953 -14.944 -4.604 1.00 1.13 H new ATOM 0 HG21 VAL A 173 -2.219 -13.176 -6.769 1.00 1.01 H new ATOM 0 HG22 VAL A 173 -2.903 -14.698 -6.151 1.00 1.01 H new ATOM 0 HG23 VAL A 173 -3.877 -13.209 -6.123 1.00 1.01 H new ATOM 2677 N THR A 174 -5.510 -13.360 -4.314 1.00 0.55 N ATOM 2678 CA THR A 174 -6.786 -12.586 -4.242 1.00 0.56 C ATOM 2679 C THR A 174 -7.506 -12.922 -2.932 1.00 0.53 C ATOM 2680 O THR A 174 -8.077 -12.062 -2.289 1.00 0.55 O ATOM 2681 CB THR A 174 -7.680 -12.961 -5.428 1.00 0.59 C ATOM 2682 OG1 THR A 174 -7.782 -14.375 -5.511 1.00 1.37 O ATOM 2683 CG2 THR A 174 -7.073 -12.414 -6.722 1.00 1.27 C ATOM 0 H THR A 174 -5.470 -14.071 -5.044 1.00 0.55 H new ATOM 0 HA THR A 174 -6.569 -11.518 -4.277 1.00 0.56 H new ATOM 0 HB THR A 174 -8.672 -12.531 -5.286 1.00 0.59 H new ATOM 0 HG1 THR A 174 -7.196 -14.785 -4.841 1.00 1.37 H new ATOM 0 HG21 THR A 174 -7.710 -12.682 -7.565 1.00 1.27 H new ATOM 0 HG22 THR A 174 -6.995 -11.329 -6.657 1.00 1.27 H new ATOM 0 HG23 THR A 174 -6.081 -12.841 -6.868 1.00 1.27 H new ATOM 2691 N ILE A 175 -7.486 -14.161 -2.534 1.00 0.51 N ATOM 2692 CA ILE A 175 -8.169 -14.557 -1.268 1.00 0.50 C ATOM 2693 C ILE A 175 -7.286 -14.180 -0.072 1.00 0.49 C ATOM 2694 O ILE A 175 -7.756 -14.037 1.039 1.00 0.49 O ATOM 2695 CB ILE A 175 -8.386 -16.070 -1.291 1.00 0.52 C ATOM 2696 CG1 ILE A 175 -9.333 -16.430 -2.440 1.00 0.77 C ATOM 2697 CG2 ILE A 175 -8.990 -16.545 0.032 1.00 0.87 C ATOM 2698 CD1 ILE A 175 -9.287 -17.940 -2.676 1.00 0.89 C ATOM 0 H ILE A 175 -7.024 -14.922 -3.032 1.00 0.51 H new ATOM 0 HA ILE A 175 -9.126 -14.043 -1.178 1.00 0.50 H new ATOM 0 HB ILE A 175 -7.423 -16.561 -1.434 1.00 0.52 H new ATOM 0 HG12 ILE A 175 -10.350 -16.118 -2.200 1.00 0.77 H new ATOM 0 HG13 ILE A 175 -9.042 -15.899 -3.347 1.00 0.77 H new ATOM 0 HG21 ILE A 175 -9.138 -17.624 -0.002 1.00 0.87 H new ATOM 0 HG22 ILE A 175 -8.314 -16.297 0.850 1.00 0.87 H new ATOM 0 HG23 ILE A 175 -9.949 -16.052 0.192 1.00 0.87 H new ATOM 0 HD11 ILE A 175 -9.960 -18.201 -3.493 1.00 0.89 H new ATOM 0 HD12 ILE A 175 -8.270 -18.237 -2.934 1.00 0.89 H new ATOM 0 HD13 ILE A 175 -9.598 -18.460 -1.770 1.00 0.89 H new ATOM 2710 N PHE A 176 -6.013 -14.004 -0.298 1.00 0.48 N ATOM 2711 CA PHE A 176 -5.096 -13.622 0.816 1.00 0.49 C ATOM 2712 C PHE A 176 -5.420 -12.193 1.272 1.00 0.49 C ATOM 2713 O PHE A 176 -5.970 -11.984 2.335 1.00 0.56 O ATOM 2714 CB PHE A 176 -3.644 -13.688 0.298 1.00 0.51 C ATOM 2715 CG PHE A 176 -2.700 -13.928 1.460 1.00 0.51 C ATOM 2716 CD1 PHE A 176 -2.501 -12.924 2.414 1.00 1.41 C ATOM 2717 CD2 PHE A 176 -2.038 -15.157 1.588 1.00 1.23 C ATOM 2718 CE1 PHE A 176 -1.640 -13.147 3.494 1.00 1.52 C ATOM 2719 CE2 PHE A 176 -1.178 -15.379 2.669 1.00 1.22 C ATOM 2720 CZ PHE A 176 -0.979 -14.374 3.623 1.00 0.76 C ATOM 0 H PHE A 176 -5.566 -14.108 -1.209 1.00 0.48 H new ATOM 0 HA PHE A 176 -5.220 -14.301 1.659 1.00 0.49 H new ATOM 0 HB2 PHE A 176 -3.545 -14.488 -0.435 1.00 0.51 H new ATOM 0 HB3 PHE A 176 -3.385 -12.758 -0.208 1.00 0.51 H new ATOM 0 HD1 PHE A 176 -3.012 -11.977 2.317 1.00 1.41 H new ATOM 0 HD2 PHE A 176 -2.192 -15.932 0.852 1.00 1.23 H new ATOM 0 HE1 PHE A 176 -1.485 -12.371 4.229 1.00 1.52 H new ATOM 0 HE2 PHE A 176 -0.668 -16.326 2.767 1.00 1.22 H new ATOM 0 HZ PHE A 176 -0.316 -14.545 4.458 1.00 0.76 H new ATOM 2730 N VAL A 177 -5.060 -11.209 0.492 1.00 0.46 N ATOM 2731 CA VAL A 177 -5.322 -9.795 0.892 1.00 0.48 C ATOM 2732 C VAL A 177 -6.812 -9.594 1.174 1.00 0.44 C ATOM 2733 O VAL A 177 -7.183 -8.858 2.067 1.00 0.57 O ATOM 2734 CB VAL A 177 -4.894 -8.860 -0.242 1.00 0.56 C ATOM 2735 CG1 VAL A 177 -3.409 -9.067 -0.548 1.00 1.20 C ATOM 2736 CG2 VAL A 177 -5.717 -9.169 -1.495 1.00 1.24 C ATOM 0 H VAL A 177 -4.594 -11.324 -0.408 1.00 0.46 H new ATOM 0 HA VAL A 177 -4.754 -9.570 1.795 1.00 0.48 H new ATOM 0 HB VAL A 177 -5.061 -7.826 0.061 1.00 0.56 H new ATOM 0 HG11 VAL A 177 -3.108 -8.400 -1.356 1.00 1.20 H new ATOM 0 HG12 VAL A 177 -2.820 -8.848 0.343 1.00 1.20 H new ATOM 0 HG13 VAL A 177 -3.240 -10.101 -0.849 1.00 1.20 H new ATOM 0 HG21 VAL A 177 -5.413 -8.504 -2.303 1.00 1.24 H new ATOM 0 HG22 VAL A 177 -5.550 -10.204 -1.794 1.00 1.24 H new ATOM 0 HG23 VAL A 177 -6.775 -9.020 -1.281 1.00 1.24 H new ATOM 2746 N ALA A 178 -7.670 -10.237 0.436 1.00 0.45 N ATOM 2747 CA ALA A 178 -9.127 -10.065 0.689 1.00 0.43 C ATOM 2748 C ALA A 178 -9.478 -10.642 2.062 1.00 0.40 C ATOM 2749 O ALA A 178 -10.097 -9.993 2.881 1.00 0.40 O ATOM 2750 CB ALA A 178 -9.925 -10.796 -0.392 1.00 0.46 C ATOM 0 H ALA A 178 -7.429 -10.870 -0.327 1.00 0.45 H new ATOM 0 HA ALA A 178 -9.376 -9.004 0.666 1.00 0.43 H new ATOM 0 HB1 ALA A 178 -10.991 -10.669 -0.205 1.00 0.46 H new ATOM 0 HB2 ALA A 178 -9.676 -10.383 -1.370 1.00 0.46 H new ATOM 0 HB3 ALA A 178 -9.677 -11.857 -0.372 1.00 0.46 H new ATOM 2756 N GLY A 179 -9.091 -11.862 2.316 1.00 0.41 N ATOM 2757 CA GLY A 179 -9.404 -12.489 3.632 1.00 0.43 C ATOM 2758 C GLY A 179 -8.796 -11.663 4.768 1.00 0.43 C ATOM 2759 O GLY A 179 -9.350 -11.575 5.846 1.00 0.48 O ATOM 0 H GLY A 179 -8.570 -12.453 1.668 1.00 0.41 H new ATOM 0 HA2 GLY A 179 -10.484 -12.560 3.762 1.00 0.43 H new ATOM 0 HA3 GLY A 179 -9.012 -13.506 3.661 1.00 0.43 H new ATOM 2763 N VAL A 180 -7.655 -11.071 4.545 1.00 0.42 N ATOM 2764 CA VAL A 180 -7.011 -10.269 5.622 1.00 0.45 C ATOM 2765 C VAL A 180 -7.663 -8.890 5.737 1.00 0.45 C ATOM 2766 O VAL A 180 -7.830 -8.357 6.819 1.00 0.43 O ATOM 2767 CB VAL A 180 -5.514 -10.101 5.325 1.00 0.49 C ATOM 2768 CG1 VAL A 180 -4.869 -9.184 6.373 1.00 1.31 C ATOM 2769 CG2 VAL A 180 -4.828 -11.467 5.360 1.00 1.41 C ATOM 0 H VAL A 180 -7.142 -11.108 3.664 1.00 0.42 H new ATOM 0 HA VAL A 180 -7.141 -10.799 6.566 1.00 0.45 H new ATOM 0 HB VAL A 180 -5.397 -9.656 4.337 1.00 0.49 H new ATOM 0 HG11 VAL A 180 -3.807 -9.071 6.154 1.00 1.31 H new ATOM 0 HG12 VAL A 180 -5.351 -8.207 6.347 1.00 1.31 H new ATOM 0 HG13 VAL A 180 -4.990 -9.622 7.364 1.00 1.31 H new ATOM 0 HG21 VAL A 180 -3.765 -11.346 5.149 1.00 1.41 H new ATOM 0 HG22 VAL A 180 -4.954 -11.912 6.347 1.00 1.41 H new ATOM 0 HG23 VAL A 180 -5.275 -12.118 4.609 1.00 1.41 H new ATOM 2779 N LEU A 181 -8.028 -8.294 4.632 1.00 0.49 N ATOM 2780 CA LEU A 181 -8.648 -6.945 4.707 1.00 0.50 C ATOM 2781 C LEU A 181 -9.983 -7.043 5.446 1.00 0.49 C ATOM 2782 O LEU A 181 -10.388 -6.145 6.155 1.00 0.51 O ATOM 2783 CB LEU A 181 -8.885 -6.407 3.288 1.00 0.56 C ATOM 2784 CG LEU A 181 -7.555 -5.936 2.663 1.00 0.64 C ATOM 2785 CD1 LEU A 181 -7.665 -5.968 1.134 1.00 1.60 C ATOM 2786 CD2 LEU A 181 -7.243 -4.499 3.102 1.00 1.20 C ATOM 0 H LEU A 181 -7.924 -8.680 3.693 1.00 0.49 H new ATOM 0 HA LEU A 181 -7.983 -6.268 5.242 1.00 0.50 H new ATOM 0 HB2 LEU A 181 -9.331 -7.184 2.667 1.00 0.56 H new ATOM 0 HB3 LEU A 181 -9.593 -5.579 3.320 1.00 0.56 H new ATOM 0 HG LEU A 181 -6.759 -6.601 2.997 1.00 0.64 H new ATOM 0 HD11 LEU A 181 -6.725 -5.635 0.695 1.00 1.60 H new ATOM 0 HD12 LEU A 181 -7.879 -6.985 0.806 1.00 1.60 H new ATOM 0 HD13 LEU A 181 -8.470 -5.307 0.813 1.00 1.60 H new ATOM 0 HD21 LEU A 181 -6.302 -4.178 2.655 1.00 1.20 H new ATOM 0 HD22 LEU A 181 -8.045 -3.837 2.776 1.00 1.20 H new ATOM 0 HD23 LEU A 181 -7.160 -4.460 4.188 1.00 1.20 H new ATOM 2798 N THR A 182 -10.674 -8.140 5.263 1.00 0.49 N ATOM 2799 CA THR A 182 -11.994 -8.323 5.927 1.00 0.51 C ATOM 2800 C THR A 182 -11.797 -8.540 7.425 1.00 0.48 C ATOM 2801 O THR A 182 -12.594 -8.112 8.235 1.00 0.51 O ATOM 2802 CB THR A 182 -12.707 -9.538 5.329 1.00 0.54 C ATOM 2803 OG1 THR A 182 -11.834 -10.659 5.360 1.00 1.16 O ATOM 2804 CG2 THR A 182 -13.109 -9.241 3.884 1.00 1.07 C ATOM 0 H THR A 182 -10.375 -8.920 4.678 1.00 0.49 H new ATOM 0 HA THR A 182 -12.598 -7.430 5.768 1.00 0.51 H new ATOM 0 HB THR A 182 -13.602 -9.756 5.912 1.00 0.54 H new ATOM 0 HG1 THR A 182 -11.286 -10.669 4.548 1.00 1.16 H new ATOM 0 HG21 THR A 182 -13.616 -10.108 3.462 1.00 1.07 H new ATOM 0 HG22 THR A 182 -13.780 -8.382 3.862 1.00 1.07 H new ATOM 0 HG23 THR A 182 -12.218 -9.020 3.296 1.00 1.07 H new ATOM 2812 N ALA A 183 -10.748 -9.218 7.801 1.00 0.45 N ATOM 2813 CA ALA A 183 -10.517 -9.471 9.251 1.00 0.44 C ATOM 2814 C ALA A 183 -10.476 -8.133 9.986 1.00 0.44 C ATOM 2815 O ALA A 183 -10.962 -7.999 11.090 1.00 0.50 O ATOM 2816 CB ALA A 183 -9.188 -10.207 9.436 1.00 0.46 C ATOM 0 H ALA A 183 -10.045 -9.606 7.172 1.00 0.45 H new ATOM 0 HA ALA A 183 -11.322 -10.085 9.654 1.00 0.44 H new ATOM 0 HB1 ALA A 183 -9.019 -10.392 10.497 1.00 0.46 H new ATOM 0 HB2 ALA A 183 -9.221 -11.157 8.903 1.00 0.46 H new ATOM 0 HB3 ALA A 183 -8.376 -9.597 9.040 1.00 0.46 H new ATOM 2822 N SER A 184 -9.894 -7.141 9.366 1.00 0.47 N ATOM 2823 CA SER A 184 -9.802 -5.788 9.994 1.00 0.51 C ATOM 2824 C SER A 184 -11.178 -5.113 10.022 1.00 0.54 C ATOM 2825 O SER A 184 -11.567 -4.524 11.011 1.00 0.56 O ATOM 2826 CB SER A 184 -8.843 -4.927 9.172 1.00 0.62 C ATOM 2827 OG SER A 184 -7.523 -5.439 9.301 1.00 1.55 O ATOM 0 H SER A 184 -9.473 -7.211 8.440 1.00 0.47 H new ATOM 0 HA SER A 184 -9.441 -5.895 11.017 1.00 0.51 H new ATOM 0 HB2 SER A 184 -9.144 -4.926 8.124 1.00 0.62 H new ATOM 0 HB3 SER A 184 -8.879 -3.893 9.515 1.00 0.62 H new ATOM 0 HG SER A 184 -7.018 -5.252 8.482 1.00 1.55 H new ATOM 2833 N LEU A 185 -11.915 -5.184 8.950 1.00 0.58 N ATOM 2834 CA LEU A 185 -13.259 -4.538 8.928 1.00 0.69 C ATOM 2835 C LEU A 185 -14.178 -5.225 9.943 1.00 0.69 C ATOM 2836 O LEU A 185 -15.119 -4.644 10.444 1.00 0.79 O ATOM 2837 CB LEU A 185 -13.853 -4.665 7.521 1.00 0.71 C ATOM 2838 CG LEU A 185 -12.912 -4.002 6.503 1.00 0.79 C ATOM 2839 CD1 LEU A 185 -13.396 -4.317 5.085 1.00 1.62 C ATOM 2840 CD2 LEU A 185 -12.872 -2.477 6.723 1.00 1.18 C ATOM 0 H LEU A 185 -11.647 -5.660 8.089 1.00 0.58 H new ATOM 0 HA LEU A 185 -13.165 -3.484 9.191 1.00 0.69 H new ATOM 0 HB2 LEU A 185 -13.996 -5.716 7.269 1.00 0.71 H new ATOM 0 HB3 LEU A 185 -14.835 -4.193 7.486 1.00 0.71 H new ATOM 0 HG LEU A 185 -11.904 -4.395 6.638 1.00 0.79 H new ATOM 0 HD11 LEU A 185 -12.730 -3.848 4.361 1.00 1.62 H new ATOM 0 HD12 LEU A 185 -13.396 -5.396 4.932 1.00 1.62 H new ATOM 0 HD13 LEU A 185 -14.407 -3.932 4.952 1.00 1.62 H new ATOM 0 HD21 LEU A 185 -12.201 -2.022 5.994 1.00 1.18 H new ATOM 0 HD22 LEU A 185 -13.874 -2.065 6.601 1.00 1.18 H new ATOM 0 HD23 LEU A 185 -12.513 -2.264 7.730 1.00 1.18 H new ATOM 2852 N THR A 186 -13.898 -6.465 10.250 1.00 0.62 N ATOM 2853 CA THR A 186 -14.731 -7.219 11.234 1.00 0.68 C ATOM 2854 C THR A 186 -14.229 -6.950 12.660 1.00 0.62 C ATOM 2855 O THR A 186 -14.962 -7.141 13.612 1.00 0.64 O ATOM 2856 CB THR A 186 -14.672 -8.725 10.919 1.00 0.73 C ATOM 2857 OG1 THR A 186 -13.416 -9.032 10.329 1.00 0.89 O ATOM 2858 CG2 THR A 186 -15.795 -9.095 9.944 1.00 1.00 C ATOM 0 H THR A 186 -13.119 -6.993 9.856 1.00 0.62 H new ATOM 0 HA THR A 186 -15.766 -6.885 11.161 1.00 0.68 H new ATOM 0 HB THR A 186 -14.795 -9.292 11.842 1.00 0.73 H new ATOM 0 HG1 THR A 186 -13.445 -8.825 9.372 1.00 0.89 H new ATOM 0 HG21 THR A 186 -15.749 -10.162 9.724 1.00 1.00 H new ATOM 0 HG22 THR A 186 -16.760 -8.858 10.393 1.00 1.00 H new ATOM 0 HG23 THR A 186 -15.676 -8.529 9.020 1.00 1.00 H new ATOM 2866 N ILE A 187 -13.017 -6.486 12.835 1.00 0.64 N ATOM 2867 CA ILE A 187 -12.534 -6.193 14.227 1.00 0.66 C ATOM 2868 C ILE A 187 -12.861 -4.718 14.518 1.00 0.66 C ATOM 2869 O ILE A 187 -13.459 -4.415 15.534 1.00 0.75 O ATOM 2870 CB ILE A 187 -11.024 -6.501 14.345 1.00 0.72 C ATOM 2871 CG1 ILE A 187 -10.822 -7.940 14.841 1.00 0.88 C ATOM 2872 CG2 ILE A 187 -10.329 -5.536 15.319 1.00 1.57 C ATOM 2873 CD1 ILE A 187 -9.362 -8.347 14.619 1.00 0.87 C ATOM 0 H ILE A 187 -12.347 -6.298 12.089 1.00 0.64 H new ATOM 0 HA ILE A 187 -13.029 -6.824 14.966 1.00 0.66 H new ATOM 0 HB ILE A 187 -10.582 -6.377 13.356 1.00 0.72 H new ATOM 0 HG12 ILE A 187 -11.076 -8.012 15.899 1.00 0.88 H new ATOM 0 HG13 ILE A 187 -11.487 -8.619 14.307 1.00 0.88 H new ATOM 0 HG21 ILE A 187 -9.268 -5.780 15.379 1.00 1.57 H new ATOM 0 HG22 ILE A 187 -10.446 -4.513 14.963 1.00 1.57 H new ATOM 0 HG23 ILE A 187 -10.779 -5.630 16.307 1.00 1.57 H new ATOM 0 HD11 ILE A 187 -9.212 -9.368 14.969 1.00 0.87 H new ATOM 0 HD12 ILE A 187 -9.126 -8.289 13.556 1.00 0.87 H new ATOM 0 HD13 ILE A 187 -8.708 -7.673 15.173 1.00 0.87 H new ATOM 2885 N TRP A 188 -12.475 -3.793 13.695 1.00 0.64 N ATOM 2886 CA TRP A 188 -12.783 -2.372 14.027 1.00 0.70 C ATOM 2887 C TRP A 188 -14.300 -2.182 14.218 1.00 0.81 C ATOM 2888 O TRP A 188 -14.745 -1.161 14.703 1.00 1.06 O ATOM 2889 CB TRP A 188 -12.289 -1.476 12.891 1.00 0.85 C ATOM 2890 CG TRP A 188 -12.703 -0.064 13.141 1.00 0.92 C ATOM 2891 CD1 TRP A 188 -13.612 0.619 12.409 1.00 1.76 C ATOM 2892 CD2 TRP A 188 -12.240 0.849 14.175 1.00 1.04 C ATOM 2893 NE1 TRP A 188 -13.732 1.896 12.924 1.00 2.01 N ATOM 2894 CE2 TRP A 188 -12.907 2.086 14.015 1.00 1.34 C ATOM 2895 CE3 TRP A 188 -11.314 0.724 15.226 1.00 1.79 C ATOM 2896 CZ2 TRP A 188 -12.663 3.163 14.867 1.00 1.47 C ATOM 2897 CZ3 TRP A 188 -11.066 1.806 16.086 1.00 2.17 C ATOM 2898 CH2 TRP A 188 -11.738 3.023 15.906 1.00 1.71 C ATOM 0 H TRP A 188 -11.970 -3.948 12.823 1.00 0.64 H new ATOM 0 HA TRP A 188 -12.281 -2.103 14.956 1.00 0.70 H new ATOM 0 HB2 TRP A 188 -11.204 -1.538 12.813 1.00 0.85 H new ATOM 0 HB3 TRP A 188 -12.697 -1.821 11.941 1.00 0.85 H new ATOM 0 HD1 TRP A 188 -14.155 0.230 11.561 1.00 1.76 H new ATOM 0 HE1 TRP A 188 -14.354 2.610 12.545 1.00 2.01 H new ATOM 0 HE3 TRP A 188 -10.791 -0.209 15.373 1.00 1.79 H new ATOM 0 HZ2 TRP A 188 -13.185 4.098 14.725 1.00 1.47 H new ATOM 0 HZ3 TRP A 188 -10.353 1.700 16.891 1.00 2.17 H new ATOM 0 HH2 TRP A 188 -11.541 3.852 16.570 1.00 1.71 H new