USER MOD reduce.3.24.130724 H: found=0, std=0, add=761, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 761 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 48 GLN :FLIP amide:sc= -2.91! C(o=-9.2!,f=-2!) USER MOD Set 1.2: A 68 SER OG : rot -162:sc= 0.951 USER MOD Set 2.1: A 33 LYS NZ :NH3+ -178:sc= 0.0267 (180deg=0) USER MOD Set 2.2: A 35 THR OG1 : rot -160:sc= 0.0269 USER MOD Single : A 14 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 16 THR OG1 : rot 180:sc= -1.69 USER MOD Single : A 18 THR OG1 : rot 180:sc= -0.0328 USER MOD Single : A 20 GLN : amide:sc= -1.38 K(o=-1.4,f=-5.2!) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 SER OG : rot -130:sc= -1.74 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 TYR OH : rot 130:sc= -2.56! USER MOD Single : A 40 SER OG : rot 17:sc= 0.605 USER MOD Single : A 49 HIS : no HE2:sc= -1.74! C(o=-1.7!,f=-4.7!) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ -166:sc=-0.00459 (180deg=-0.189) USER MOD Single : A 62 ASN : amide:sc= -2.34! C(o=-2.3!,f=-9.3!) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 ASN : amide:sc= 0 K(o=0,f=-0.89) USER MOD Single : A 81 MET CE :methyl -132:sc= -2.56! (180deg=-5.4!) USER MOD Single : A 82 SER OG : rot 105:sc= -5.93! USER MOD Single : A 83 LYS NZ :NH3+ -133:sc= -0.0346 (180deg=-0.461) USER MOD Single : A 86 MET CE :methyl -137:sc= -1.99 (180deg=-5.52!) USER MOD Single : A 88 ASN : amide:sc= -1.46 K(o=-1.5,f=-5.9!) USER MOD Single : A 96 THR OG1 : rot 111:sc= -6.14! USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 TYR OH : rot 150:sc= 0.037 USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 175 N VAL A 13 -7.334 16.733 -7.199 1.00 0.00 N ATOM 176 CA VAL A 13 -7.710 17.973 -7.934 1.00 0.00 C ATOM 177 C VAL A 13 -6.539 18.414 -8.817 1.00 0.00 C ATOM 178 O VAL A 13 -5.392 18.322 -8.427 1.00 0.00 O ATOM 179 CB VAL A 13 -8.032 19.082 -6.931 1.00 0.00 C ATOM 180 CG1 VAL A 13 -8.705 20.247 -7.659 1.00 0.00 C ATOM 181 CG2 VAL A 13 -8.975 18.538 -5.855 1.00 0.00 C ATOM 0 HA VAL A 13 -8.584 17.777 -8.555 1.00 0.00 H new ATOM 0 HB VAL A 13 -7.111 19.430 -6.464 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -8.935 21.038 -6.945 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -8.033 20.634 -8.425 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -9.627 19.900 -8.126 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -9.205 19.328 -5.140 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -9.897 18.191 -6.321 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -8.495 17.708 -5.337 1.00 0.00 H new ATOM 191 N GLN A 14 -6.811 18.893 -10.000 1.00 0.00 N ATOM 192 CA GLN A 14 -5.699 19.335 -10.890 1.00 0.00 C ATOM 193 C GLN A 14 -5.773 20.852 -11.085 1.00 0.00 C ATOM 194 O GLN A 14 -6.760 21.379 -11.559 1.00 0.00 O ATOM 195 CB GLN A 14 -5.823 18.637 -12.246 1.00 0.00 C ATOM 196 CG GLN A 14 -5.305 17.202 -12.128 1.00 0.00 C ATOM 197 CD GLN A 14 -5.620 16.440 -13.418 1.00 0.00 C ATOM 198 OE1 GLN A 14 -6.002 17.030 -14.408 1.00 0.00 O ATOM 199 NE2 GLN A 14 -5.473 15.143 -13.447 1.00 0.00 N ATOM 0 H GLN A 14 -7.749 18.997 -10.387 1.00 0.00 H new ATOM 0 HA GLN A 14 -4.743 19.075 -10.435 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -6.863 18.634 -12.572 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -5.254 19.180 -13.000 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -4.230 17.205 -11.948 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -5.769 16.705 -11.276 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -5.152 14.647 -12.615 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -5.679 14.625 -14.301 1.00 0.00 H new ATOM 208 N VAL A 15 -4.738 21.558 -10.719 1.00 0.00 N ATOM 209 CA VAL A 15 -4.753 23.040 -10.881 1.00 0.00 C ATOM 210 C VAL A 15 -3.503 23.492 -11.642 1.00 0.00 C ATOM 211 O VAL A 15 -2.411 23.019 -11.400 1.00 0.00 O ATOM 212 CB VAL A 15 -4.774 23.701 -9.502 1.00 0.00 C ATOM 213 CG1 VAL A 15 -5.265 25.144 -9.631 1.00 0.00 C ATOM 214 CG2 VAL A 15 -5.714 22.926 -8.578 1.00 0.00 C ATOM 0 H VAL A 15 -3.884 21.173 -10.315 1.00 0.00 H new ATOM 0 HA VAL A 15 -5.641 23.331 -11.442 1.00 0.00 H new ATOM 0 HB VAL A 15 -3.767 23.696 -9.085 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -5.279 25.613 -8.647 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -4.595 25.699 -10.288 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -6.271 25.150 -10.050 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -5.729 23.397 -7.595 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -6.720 22.929 -8.997 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -5.364 21.898 -8.482 1.00 0.00 H new ATOM 224 N THR A 16 -3.659 24.409 -12.558 1.00 0.00 N ATOM 225 CA THR A 16 -2.488 24.901 -13.338 1.00 0.00 C ATOM 226 C THR A 16 -2.637 26.406 -13.576 1.00 0.00 C ATOM 227 O THR A 16 -3.731 26.911 -13.732 1.00 0.00 O ATOM 228 CB THR A 16 -2.430 24.176 -14.684 1.00 0.00 C ATOM 229 OG1 THR A 16 -3.518 24.598 -15.494 1.00 0.00 O ATOM 230 CG2 THR A 16 -2.516 22.665 -14.457 1.00 0.00 C ATOM 0 H THR A 16 -4.551 24.840 -12.800 1.00 0.00 H new ATOM 0 HA THR A 16 -1.571 24.707 -12.782 1.00 0.00 H new ATOM 0 HB THR A 16 -1.491 24.412 -15.184 1.00 0.00 H new ATOM 0 HG1 THR A 16 -3.482 24.136 -16.357 1.00 0.00 H new ATOM 0 HG21 THR A 16 -2.475 22.150 -15.417 1.00 0.00 H new ATOM 0 HG22 THR A 16 -1.681 22.342 -13.836 1.00 0.00 H new ATOM 0 HG23 THR A 16 -3.454 22.425 -13.957 1.00 0.00 H new ATOM 238 N PHE A 17 -1.551 27.129 -13.601 1.00 0.00 N ATOM 239 CA PHE A 17 -1.644 28.600 -13.824 1.00 0.00 C ATOM 240 C PHE A 17 -0.883 28.986 -15.091 1.00 0.00 C ATOM 241 O PHE A 17 0.077 28.349 -15.470 1.00 0.00 O ATOM 242 CB PHE A 17 -1.014 29.340 -12.642 1.00 0.00 C ATOM 243 CG PHE A 17 -1.740 28.996 -11.367 1.00 0.00 C ATOM 244 CD1 PHE A 17 -1.664 27.701 -10.843 1.00 0.00 C ATOM 245 CD2 PHE A 17 -2.482 29.979 -10.702 1.00 0.00 C ATOM 246 CE1 PHE A 17 -2.331 27.389 -9.653 1.00 0.00 C ATOM 247 CE2 PHE A 17 -3.147 29.667 -9.512 1.00 0.00 C ATOM 248 CZ PHE A 17 -3.072 28.371 -8.986 1.00 0.00 C ATOM 0 H PHE A 17 -0.606 26.766 -13.477 1.00 0.00 H new ATOM 0 HA PHE A 17 -2.695 28.871 -13.924 1.00 0.00 H new ATOM 0 HB2 PHE A 17 0.039 29.071 -12.554 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -1.054 30.416 -12.813 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -1.091 26.943 -11.356 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -2.541 30.978 -11.108 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -2.274 26.389 -9.249 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -3.719 30.426 -8.998 1.00 0.00 H new ATOM 0 HZ PHE A 17 -3.585 28.130 -8.067 1.00 0.00 H new ATOM 258 N THR A 18 -1.292 30.042 -15.736 1.00 0.00 N ATOM 259 CA THR A 18 -0.573 30.490 -16.962 1.00 0.00 C ATOM 260 C THR A 18 -0.560 32.020 -16.992 1.00 0.00 C ATOM 261 O THR A 18 -1.368 32.665 -16.354 1.00 0.00 O ATOM 262 CB THR A 18 -1.273 29.947 -18.211 1.00 0.00 C ATOM 263 OG1 THR A 18 -1.445 28.542 -18.083 1.00 0.00 O ATOM 264 CG2 THR A 18 -0.424 30.249 -19.447 1.00 0.00 C ATOM 0 H THR A 18 -2.093 30.614 -15.468 1.00 0.00 H new ATOM 0 HA THR A 18 0.449 30.112 -16.948 1.00 0.00 H new ATOM 0 HB THR A 18 -2.247 30.424 -18.318 1.00 0.00 H new ATOM 0 HG1 THR A 18 -1.894 28.193 -18.881 1.00 0.00 H new ATOM 0 HG21 THR A 18 -0.924 29.862 -20.335 1.00 0.00 H new ATOM 0 HG22 THR A 18 -0.294 31.327 -19.545 1.00 0.00 H new ATOM 0 HG23 THR A 18 0.551 29.774 -19.343 1.00 0.00 H new ATOM 272 N VAL A 19 0.348 32.609 -17.720 1.00 0.00 N ATOM 273 CA VAL A 19 0.403 34.098 -17.776 1.00 0.00 C ATOM 274 C VAL A 19 -0.090 34.574 -19.142 1.00 0.00 C ATOM 275 O VAL A 19 0.370 34.119 -20.171 1.00 0.00 O ATOM 276 CB VAL A 19 1.845 34.565 -17.562 1.00 0.00 C ATOM 277 CG1 VAL A 19 1.855 36.060 -17.238 1.00 0.00 C ATOM 278 CG2 VAL A 19 2.466 33.787 -16.400 1.00 0.00 C ATOM 0 H VAL A 19 1.053 32.126 -18.277 1.00 0.00 H new ATOM 0 HA VAL A 19 -0.232 34.515 -16.995 1.00 0.00 H new ATOM 0 HB VAL A 19 2.423 34.386 -18.469 1.00 0.00 H new ATOM 0 HG11 VAL A 19 2.882 36.392 -17.086 1.00 0.00 H new ATOM 0 HG12 VAL A 19 1.413 36.615 -18.066 1.00 0.00 H new ATOM 0 HG13 VAL A 19 1.277 36.240 -16.331 1.00 0.00 H new ATOM 0 HG21 VAL A 19 3.493 34.119 -16.247 1.00 0.00 H new ATOM 0 HG22 VAL A 19 1.888 33.965 -15.493 1.00 0.00 H new ATOM 0 HG23 VAL A 19 2.460 32.722 -16.631 1.00 0.00 H new ATOM 288 N GLN A 20 -1.029 35.482 -19.166 1.00 0.00 N ATOM 289 CA GLN A 20 -1.552 35.974 -20.470 1.00 0.00 C ATOM 290 C GLN A 20 -0.934 37.335 -20.799 1.00 0.00 C ATOM 291 O GLN A 20 -0.610 38.113 -19.925 1.00 0.00 O ATOM 292 CB GLN A 20 -3.072 36.116 -20.383 1.00 0.00 C ATOM 293 CG GLN A 20 -3.739 34.987 -21.172 1.00 0.00 C ATOM 294 CD GLN A 20 -3.267 33.637 -20.628 1.00 0.00 C ATOM 295 OE1 GLN A 20 -2.862 33.535 -19.486 1.00 0.00 O ATOM 296 NE2 GLN A 20 -3.301 32.587 -21.402 1.00 0.00 N ATOM 0 H GLN A 20 -1.455 35.902 -18.340 1.00 0.00 H new ATOM 0 HA GLN A 20 -1.291 35.263 -21.254 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -3.391 36.083 -19.341 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -3.380 37.083 -20.781 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -4.823 35.064 -21.092 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -3.490 35.072 -22.230 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -3.640 32.671 -22.360 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -2.988 31.683 -21.049 1.00 0.00 H new ATOM 305 N LYS A 21 -0.777 37.624 -22.061 1.00 0.00 N ATOM 306 CA LYS A 21 -0.190 38.931 -22.471 1.00 0.00 C ATOM 307 C LYS A 21 -0.803 40.062 -21.641 1.00 0.00 C ATOM 308 O LYS A 21 -1.977 40.352 -21.755 1.00 0.00 O ATOM 309 CB LYS A 21 -0.508 39.172 -23.948 1.00 0.00 C ATOM 310 CG LYS A 21 0.066 38.027 -24.785 1.00 0.00 C ATOM 311 CD LYS A 21 -0.007 38.391 -26.268 1.00 0.00 C ATOM 312 CE LYS A 21 0.392 37.178 -27.111 1.00 0.00 C ATOM 313 NZ LYS A 21 1.877 37.117 -27.220 1.00 0.00 N ATOM 0 H LYS A 21 -1.032 37.006 -22.832 1.00 0.00 H new ATOM 0 HA LYS A 21 0.888 38.910 -22.312 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -1.586 39.238 -24.093 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -0.084 40.122 -24.272 1.00 0.00 H new ATOM 0 HG2 LYS A 21 1.100 37.835 -24.497 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -0.492 37.110 -24.597 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -1.017 38.710 -26.526 1.00 0.00 H new ATOM 0 HD3 LYS A 21 0.656 39.229 -26.481 1.00 0.00 H new ATOM 0 HE2 LYS A 21 0.012 36.264 -26.655 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -0.054 37.248 -28.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 2.149 36.293 -27.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 2.228 37.985 -27.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 2.292 37.031 -26.270 1.00 0.00 H new ATOM 327 N GLY A 22 -0.028 40.716 -20.818 1.00 0.00 N ATOM 328 CA GLY A 22 -0.598 41.832 -20.012 1.00 0.00 C ATOM 329 C GLY A 22 -0.017 41.835 -18.595 1.00 0.00 C ATOM 330 O GLY A 22 -0.391 42.648 -17.773 1.00 0.00 O ATOM 0 H GLY A 22 0.964 40.528 -20.670 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -0.384 42.784 -20.499 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -1.683 41.735 -19.964 1.00 0.00 H new ATOM 334 N SER A 23 0.887 40.946 -18.288 1.00 0.00 N ATOM 335 CA SER A 23 1.461 40.935 -16.913 1.00 0.00 C ATOM 336 C SER A 23 2.162 42.272 -16.653 1.00 0.00 C ATOM 337 O SER A 23 2.783 42.837 -17.532 1.00 0.00 O ATOM 338 CB SER A 23 2.467 39.789 -16.779 1.00 0.00 C ATOM 339 OG SER A 23 1.793 38.616 -16.347 1.00 0.00 O ATOM 0 H SER A 23 1.250 40.234 -18.922 1.00 0.00 H new ATOM 0 HA SER A 23 0.663 40.791 -16.185 1.00 0.00 H new ATOM 0 HB2 SER A 23 2.958 39.608 -17.735 1.00 0.00 H new ATOM 0 HB3 SER A 23 3.247 40.057 -16.066 1.00 0.00 H new ATOM 0 HG SER A 23 2.269 38.228 -15.583 1.00 0.00 H new ATOM 345 N ASP A 24 2.067 42.787 -15.456 1.00 0.00 N ATOM 346 CA ASP A 24 2.725 44.092 -15.154 1.00 0.00 C ATOM 347 C ASP A 24 3.397 44.023 -13.780 1.00 0.00 C ATOM 348 O ASP A 24 3.232 43.070 -13.046 1.00 0.00 O ATOM 349 CB ASP A 24 1.676 45.208 -15.151 1.00 0.00 C ATOM 350 CG ASP A 24 0.433 44.752 -15.918 1.00 0.00 C ATOM 351 OD1 ASP A 24 -0.162 43.768 -15.512 1.00 0.00 O ATOM 352 OD2 ASP A 24 0.097 45.397 -16.899 1.00 0.00 O ATOM 0 H ASP A 24 1.564 42.362 -14.677 1.00 0.00 H new ATOM 0 HA ASP A 24 3.476 44.301 -15.916 1.00 0.00 H new ATOM 0 HB2 ASP A 24 1.408 45.465 -14.126 1.00 0.00 H new ATOM 0 HB3 ASP A 24 2.087 46.108 -15.609 1.00 0.00 H new ATOM 357 N PRO A 25 4.175 45.061 -13.431 1.00 0.00 N ATOM 358 CA PRO A 25 4.881 45.127 -12.145 1.00 0.00 C ATOM 359 C PRO A 25 3.915 45.344 -10.975 1.00 0.00 C ATOM 360 O PRO A 25 4.165 44.920 -9.864 1.00 0.00 O ATOM 361 CB PRO A 25 5.793 46.344 -12.299 1.00 0.00 C ATOM 362 CG PRO A 25 5.118 47.194 -13.322 1.00 0.00 C ATOM 363 CD PRO A 25 4.427 46.251 -14.265 1.00 0.00 C ATOM 0 HA PRO A 25 5.414 44.202 -11.924 1.00 0.00 H new ATOM 0 HB2 PRO A 25 5.907 46.876 -11.354 1.00 0.00 H new ATOM 0 HB3 PRO A 25 6.792 46.052 -12.623 1.00 0.00 H new ATOM 0 HG2 PRO A 25 4.402 47.870 -12.855 1.00 0.00 H new ATOM 0 HG3 PRO A 25 5.842 47.813 -13.852 1.00 0.00 H new ATOM 0 HD2 PRO A 25 3.500 46.675 -14.651 1.00 0.00 H new ATOM 0 HD3 PRO A 25 5.052 46.014 -15.126 1.00 0.00 H new ATOM 371 N LYS A 26 2.809 45.994 -11.219 1.00 0.00 N ATOM 372 CA LYS A 26 1.823 46.232 -10.127 1.00 0.00 C ATOM 373 C LYS A 26 0.507 45.541 -10.485 1.00 0.00 C ATOM 374 O LYS A 26 -0.474 45.634 -9.773 1.00 0.00 O ATOM 375 CB LYS A 26 1.586 47.735 -9.965 1.00 0.00 C ATOM 376 CG LYS A 26 2.862 48.398 -9.443 1.00 0.00 C ATOM 377 CD LYS A 26 2.569 49.857 -9.090 1.00 0.00 C ATOM 378 CE LYS A 26 3.864 50.551 -8.666 1.00 0.00 C ATOM 379 NZ LYS A 26 3.766 52.008 -8.958 1.00 0.00 N ATOM 0 H LYS A 26 2.546 46.371 -12.129 1.00 0.00 H new ATOM 0 HA LYS A 26 2.208 45.829 -9.190 1.00 0.00 H new ATOM 0 HB2 LYS A 26 1.300 48.174 -10.921 1.00 0.00 H new ATOM 0 HB3 LYS A 26 0.762 47.912 -9.273 1.00 0.00 H new ATOM 0 HG2 LYS A 26 3.228 47.866 -8.565 1.00 0.00 H new ATOM 0 HG3 LYS A 26 3.647 48.346 -10.197 1.00 0.00 H new ATOM 0 HD2 LYS A 26 2.134 50.369 -9.948 1.00 0.00 H new ATOM 0 HD3 LYS A 26 1.837 49.907 -8.284 1.00 0.00 H new ATOM 0 HE2 LYS A 26 4.042 50.394 -7.602 1.00 0.00 H new ATOM 0 HE3 LYS A 26 4.712 50.119 -9.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 4.647 52.480 -8.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 3.616 52.148 -9.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 2.967 52.415 -8.431 1.00 0.00 H new ATOM 393 N LYS A 27 0.487 44.840 -11.584 1.00 0.00 N ATOM 394 CA LYS A 27 -0.750 44.127 -12.003 1.00 0.00 C ATOM 395 C LYS A 27 -0.348 42.783 -12.607 1.00 0.00 C ATOM 396 O LYS A 27 0.556 42.704 -13.415 1.00 0.00 O ATOM 397 CB LYS A 27 -1.496 44.960 -13.047 1.00 0.00 C ATOM 398 CG LYS A 27 -2.051 46.223 -12.386 1.00 0.00 C ATOM 399 CD LYS A 27 -2.957 46.961 -13.374 1.00 0.00 C ATOM 400 CE LYS A 27 -3.249 48.368 -12.846 1.00 0.00 C ATOM 401 NZ LYS A 27 -2.945 49.370 -13.907 1.00 0.00 N ATOM 0 H LYS A 27 1.281 44.730 -12.214 1.00 0.00 H new ATOM 0 HA LYS A 27 -1.404 43.972 -11.145 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -0.824 45.228 -13.862 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -2.308 44.377 -13.482 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -2.612 45.960 -11.489 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -1.233 46.871 -12.072 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -2.476 47.020 -14.350 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -3.888 46.411 -13.510 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -4.294 48.446 -12.546 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -2.647 48.567 -11.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -3.143 50.326 -13.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -1.942 49.301 -14.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -3.538 49.183 -14.741 1.00 0.00 H new ATOM 415 N LEU A 28 -0.997 41.722 -12.220 1.00 0.00 N ATOM 416 CA LEU A 28 -0.624 40.394 -12.776 1.00 0.00 C ATOM 417 C LEU A 28 -1.858 39.697 -13.349 1.00 0.00 C ATOM 418 O LEU A 28 -2.902 39.640 -12.730 1.00 0.00 O ATOM 419 CB LEU A 28 -0.015 39.530 -11.669 1.00 0.00 C ATOM 420 CG LEU A 28 1.300 38.922 -12.161 1.00 0.00 C ATOM 421 CD1 LEU A 28 2.259 38.758 -10.982 1.00 0.00 C ATOM 422 CD2 LEU A 28 1.026 37.554 -12.790 1.00 0.00 C ATOM 0 H LEU A 28 -1.764 41.716 -11.548 1.00 0.00 H new ATOM 0 HA LEU A 28 0.105 40.535 -13.574 1.00 0.00 H new ATOM 0 HB2 LEU A 28 0.162 40.133 -10.778 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -0.710 38.739 -11.386 1.00 0.00 H new ATOM 0 HG LEU A 28 1.748 39.581 -12.905 1.00 0.00 H new ATOM 0 HD11 LEU A 28 3.196 38.325 -11.333 1.00 0.00 H new ATOM 0 HD12 LEU A 28 2.455 39.732 -10.534 1.00 0.00 H new ATOM 0 HD13 LEU A 28 1.811 38.100 -10.238 1.00 0.00 H new ATOM 0 HD21 LEU A 28 1.963 37.121 -13.141 1.00 0.00 H new ATOM 0 HD22 LEU A 28 0.577 36.895 -12.047 1.00 0.00 H new ATOM 0 HD23 LEU A 28 0.343 37.671 -13.631 1.00 0.00 H new ATOM 434 N VAL A 29 -1.730 39.153 -14.526 1.00 0.00 N ATOM 435 CA VAL A 29 -2.874 38.438 -15.157 1.00 0.00 C ATOM 436 C VAL A 29 -2.441 37.001 -15.439 1.00 0.00 C ATOM 437 O VAL A 29 -1.451 36.764 -16.101 1.00 0.00 O ATOM 438 CB VAL A 29 -3.252 39.130 -16.469 1.00 0.00 C ATOM 439 CG1 VAL A 29 -4.655 38.688 -16.893 1.00 0.00 C ATOM 440 CG2 VAL A 29 -3.233 40.647 -16.270 1.00 0.00 C ATOM 0 H VAL A 29 -0.875 39.173 -15.082 1.00 0.00 H new ATOM 0 HA VAL A 29 -3.738 38.448 -14.493 1.00 0.00 H new ATOM 0 HB VAL A 29 -2.535 38.857 -17.244 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -4.925 39.180 -17.827 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -4.669 37.607 -17.035 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -5.372 38.961 -16.119 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -3.502 41.140 -17.204 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -3.949 40.921 -15.496 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -2.234 40.962 -15.968 1.00 0.00 H new ATOM 450 N LEU A 30 -3.160 36.037 -14.938 1.00 0.00 N ATOM 451 CA LEU A 30 -2.760 34.624 -15.182 1.00 0.00 C ATOM 452 C LEU A 30 -3.997 33.763 -15.423 1.00 0.00 C ATOM 453 O LEU A 30 -5.011 33.918 -14.771 1.00 0.00 O ATOM 454 CB LEU A 30 -2.015 34.081 -13.957 1.00 0.00 C ATOM 455 CG LEU A 30 -0.811 34.969 -13.638 1.00 0.00 C ATOM 456 CD1 LEU A 30 -0.810 35.301 -12.144 1.00 0.00 C ATOM 457 CD2 LEU A 30 0.479 34.225 -13.993 1.00 0.00 C ATOM 0 H LEU A 30 -4.001 36.164 -14.375 1.00 0.00 H new ATOM 0 HA LEU A 30 -2.114 34.590 -16.059 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -2.687 34.044 -13.100 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -1.684 33.060 -14.146 1.00 0.00 H new ATOM 0 HG LEU A 30 -0.872 35.890 -14.219 1.00 0.00 H new ATOM 0 HD11 LEU A 30 0.047 35.934 -11.912 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -1.730 35.827 -11.888 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -0.746 34.379 -11.566 1.00 0.00 H new ATOM 0 HD21 LEU A 30 1.338 34.857 -13.766 1.00 0.00 H new ATOM 0 HD22 LEU A 30 0.541 33.306 -13.411 1.00 0.00 H new ATOM 0 HD23 LEU A 30 0.478 33.982 -15.056 1.00 0.00 H new ATOM 469 N ASP A 31 -3.912 32.836 -16.335 1.00 0.00 N ATOM 470 CA ASP A 31 -5.073 31.944 -16.590 1.00 0.00 C ATOM 471 C ASP A 31 -4.997 30.787 -15.596 1.00 0.00 C ATOM 472 O ASP A 31 -3.946 30.219 -15.378 1.00 0.00 O ATOM 473 CB ASP A 31 -5.010 31.404 -18.022 1.00 0.00 C ATOM 474 CG ASP A 31 -6.415 31.004 -18.476 1.00 0.00 C ATOM 475 OD1 ASP A 31 -7.307 30.997 -17.644 1.00 0.00 O ATOM 476 OD2 ASP A 31 -6.576 30.709 -19.650 1.00 0.00 O ATOM 0 H ASP A 31 -3.090 32.659 -16.913 1.00 0.00 H new ATOM 0 HA ASP A 31 -6.008 32.491 -16.469 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -4.602 32.162 -18.691 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -4.342 30.544 -18.069 1.00 0.00 H new ATOM 481 N ILE A 32 -6.087 30.440 -14.975 1.00 0.00 N ATOM 482 CA ILE A 32 -6.030 29.331 -13.990 1.00 0.00 C ATOM 483 C ILE A 32 -6.884 28.155 -14.446 1.00 0.00 C ATOM 484 O ILE A 32 -8.060 28.288 -14.718 1.00 0.00 O ATOM 485 CB ILE A 32 -6.532 29.833 -12.642 1.00 0.00 C ATOM 486 CG1 ILE A 32 -5.896 31.196 -12.353 1.00 0.00 C ATOM 487 CG2 ILE A 32 -6.175 28.817 -11.556 1.00 0.00 C ATOM 488 CD1 ILE A 32 -5.741 31.397 -10.848 1.00 0.00 C ATOM 0 H ILE A 32 -7.003 30.870 -15.105 1.00 0.00 H new ATOM 0 HA ILE A 32 -4.998 28.992 -13.903 1.00 0.00 H new ATOM 0 HB ILE A 32 -7.616 29.948 -12.657 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -4.922 31.261 -12.838 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -6.514 31.990 -12.772 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -6.534 29.175 -10.591 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -6.644 27.860 -11.785 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -5.093 28.691 -11.517 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -5.288 32.369 -10.656 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -6.721 31.353 -10.372 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -5.104 30.613 -10.440 1.00 0.00 H new ATOM 500 N LYS A 33 -6.297 26.991 -14.491 1.00 0.00 N ATOM 501 CA LYS A 33 -7.068 25.784 -14.882 1.00 0.00 C ATOM 502 C LYS A 33 -7.285 24.948 -13.624 1.00 0.00 C ATOM 503 O LYS A 33 -6.355 24.455 -13.017 1.00 0.00 O ATOM 504 CB LYS A 33 -6.307 24.978 -15.935 1.00 0.00 C ATOM 505 CG LYS A 33 -7.305 24.268 -16.853 1.00 0.00 C ATOM 506 CD LYS A 33 -6.588 23.163 -17.632 1.00 0.00 C ATOM 507 CE LYS A 33 -7.623 22.273 -18.323 1.00 0.00 C ATOM 508 NZ LYS A 33 -8.108 21.239 -17.366 1.00 0.00 N ATOM 0 H LYS A 33 -5.314 26.826 -14.273 1.00 0.00 H new ATOM 0 HA LYS A 33 -8.025 26.071 -15.318 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -5.665 25.637 -16.519 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -5.658 24.248 -15.451 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -8.118 23.843 -16.264 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -7.752 24.983 -17.544 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -5.917 23.601 -18.371 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -5.973 22.568 -16.957 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -8.459 22.877 -18.677 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -7.182 21.796 -19.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -8.786 20.613 -17.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -7.302 20.678 -17.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -8.575 21.703 -16.561 1.00 0.00 H new ATOM 522 N TYR A 34 -8.514 24.810 -13.224 1.00 0.00 N ATOM 523 CA TYR A 34 -8.828 24.036 -11.997 1.00 0.00 C ATOM 524 C TYR A 34 -9.839 22.938 -12.327 1.00 0.00 C ATOM 525 O TYR A 34 -10.983 23.205 -12.640 1.00 0.00 O ATOM 526 CB TYR A 34 -9.417 24.995 -10.964 1.00 0.00 C ATOM 527 CG TYR A 34 -9.724 24.244 -9.691 1.00 0.00 C ATOM 528 CD1 TYR A 34 -8.720 24.052 -8.734 1.00 0.00 C ATOM 529 CD2 TYR A 34 -11.010 23.740 -9.466 1.00 0.00 C ATOM 530 CE1 TYR A 34 -9.003 23.355 -7.552 1.00 0.00 C ATOM 531 CE2 TYR A 34 -11.293 23.043 -8.285 1.00 0.00 C ATOM 532 CZ TYR A 34 -10.289 22.850 -7.329 1.00 0.00 C ATOM 533 OH TYR A 34 -10.567 22.163 -6.165 1.00 0.00 O ATOM 0 H TYR A 34 -9.324 25.206 -13.701 1.00 0.00 H new ATOM 0 HA TYR A 34 -7.925 23.570 -11.601 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -8.714 25.803 -10.761 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -10.325 25.454 -11.355 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -7.728 24.441 -8.907 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -11.785 23.889 -10.204 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -8.229 23.208 -6.813 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -12.286 22.654 -8.112 1.00 0.00 H new ATOM 0 HH TYR A 34 -11.377 22.531 -5.754 1.00 0.00 H new ATOM 543 N THR A 35 -9.426 21.701 -12.265 1.00 0.00 N ATOM 544 CA THR A 35 -10.362 20.587 -12.581 1.00 0.00 C ATOM 545 C THR A 35 -10.622 19.759 -11.321 1.00 0.00 C ATOM 546 O THR A 35 -9.716 19.193 -10.740 1.00 0.00 O ATOM 547 CB THR A 35 -9.740 19.693 -13.656 1.00 0.00 C ATOM 548 OG1 THR A 35 -9.449 20.473 -14.807 1.00 0.00 O ATOM 549 CG2 THR A 35 -10.722 18.580 -14.029 1.00 0.00 C ATOM 0 H THR A 35 -8.481 21.415 -12.009 1.00 0.00 H new ATOM 0 HA THR A 35 -11.304 20.998 -12.944 1.00 0.00 H new ATOM 0 HB THR A 35 -8.821 19.250 -13.273 1.00 0.00 H new ATOM 0 HG1 THR A 35 -9.356 19.885 -15.586 1.00 0.00 H new ATOM 0 HG21 THR A 35 -10.278 17.944 -14.795 1.00 0.00 H new ATOM 0 HG22 THR A 35 -10.946 17.982 -13.146 1.00 0.00 H new ATOM 0 HG23 THR A 35 -11.642 19.020 -14.412 1.00 0.00 H new ATOM 557 N ARG A 36 -11.853 19.679 -10.897 1.00 0.00 N ATOM 558 CA ARG A 36 -12.171 18.883 -9.678 1.00 0.00 C ATOM 559 C ARG A 36 -13.492 18.139 -9.886 1.00 0.00 C ATOM 560 O ARG A 36 -14.525 18.741 -10.101 1.00 0.00 O ATOM 561 CB ARG A 36 -12.298 19.817 -8.472 1.00 0.00 C ATOM 562 CG ARG A 36 -12.390 18.982 -7.192 1.00 0.00 C ATOM 563 CD ARG A 36 -12.320 19.904 -5.973 1.00 0.00 C ATOM 564 NE ARG A 36 -12.904 19.210 -4.790 1.00 0.00 N ATOM 565 CZ ARG A 36 -12.276 18.202 -4.248 1.00 0.00 C ATOM 566 NH1 ARG A 36 -11.365 18.414 -3.337 1.00 0.00 N ATOM 567 NH2 ARG A 36 -12.561 16.982 -4.614 1.00 0.00 N ATOM 0 H ARG A 36 -12.652 20.130 -11.342 1.00 0.00 H new ATOM 0 HA ARG A 36 -11.371 18.165 -9.497 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -11.438 20.485 -8.423 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -13.183 20.444 -8.575 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -13.322 18.417 -7.180 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -11.577 18.257 -7.159 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -11.285 20.180 -5.772 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -12.864 20.828 -6.171 1.00 0.00 H new ATOM 0 HE ARG A 36 -13.795 19.523 -4.404 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -11.144 19.367 -3.049 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -10.874 17.626 -2.913 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -13.275 16.816 -5.324 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -12.070 16.195 -4.190 1.00 0.00 H new ATOM 581 N PRO A 37 -13.450 16.801 -9.822 1.00 0.00 N ATOM 582 CA PRO A 37 -14.640 15.960 -10.004 1.00 0.00 C ATOM 583 C PRO A 37 -15.616 16.093 -8.831 1.00 0.00 C ATOM 584 O PRO A 37 -15.287 15.796 -7.700 1.00 0.00 O ATOM 585 CB PRO A 37 -14.072 14.542 -10.050 1.00 0.00 C ATOM 586 CG PRO A 37 -12.787 14.628 -9.299 1.00 0.00 C ATOM 587 CD PRO A 37 -12.239 16.001 -9.567 1.00 0.00 C ATOM 0 HA PRO A 37 -15.204 16.238 -10.894 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -14.753 13.827 -9.589 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -13.910 14.213 -11.076 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -12.948 14.474 -8.232 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -12.090 13.859 -9.630 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -11.675 16.383 -8.716 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -11.565 16.006 -10.424 1.00 0.00 H new ATOM 595 N GLY A 38 -16.815 16.537 -9.092 1.00 0.00 N ATOM 596 CA GLY A 38 -17.810 16.687 -7.992 1.00 0.00 C ATOM 597 C GLY A 38 -17.688 18.081 -7.374 1.00 0.00 C ATOM 598 O GLY A 38 -18.555 18.525 -6.649 1.00 0.00 O ATOM 0 H GLY A 38 -17.149 16.802 -10.019 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -18.818 16.536 -8.378 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -17.643 15.925 -7.231 1.00 0.00 H new ATOM 602 N ASP A 39 -16.620 18.777 -7.655 1.00 0.00 N ATOM 603 CA ASP A 39 -16.448 20.141 -7.079 1.00 0.00 C ATOM 604 C ASP A 39 -15.934 21.095 -8.160 1.00 0.00 C ATOM 605 O ASP A 39 -15.641 20.693 -9.269 1.00 0.00 O ATOM 606 CB ASP A 39 -15.443 20.088 -5.928 1.00 0.00 C ATOM 607 CG ASP A 39 -16.174 19.748 -4.628 1.00 0.00 C ATOM 608 OD1 ASP A 39 -17.180 20.380 -4.353 1.00 0.00 O ATOM 609 OD2 ASP A 39 -15.714 18.861 -3.927 1.00 0.00 O ATOM 0 H ASP A 39 -15.860 18.461 -8.258 1.00 0.00 H new ATOM 0 HA ASP A 39 -17.408 20.498 -6.707 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -14.678 19.340 -6.134 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -14.934 21.047 -5.831 1.00 0.00 H new ATOM 614 N SER A 40 -15.821 22.355 -7.844 1.00 0.00 N ATOM 615 CA SER A 40 -15.326 23.337 -8.850 1.00 0.00 C ATOM 616 C SER A 40 -14.693 24.527 -8.126 1.00 0.00 C ATOM 617 O SER A 40 -14.929 24.750 -6.957 1.00 0.00 O ATOM 618 CB SER A 40 -16.495 23.824 -9.707 1.00 0.00 C ATOM 619 OG SER A 40 -16.810 22.839 -10.680 1.00 0.00 O ATOM 0 H SER A 40 -16.050 22.748 -6.931 1.00 0.00 H new ATOM 0 HA SER A 40 -14.583 22.861 -9.490 1.00 0.00 H new ATOM 0 HB2 SER A 40 -17.364 24.021 -9.079 1.00 0.00 H new ATOM 0 HB3 SER A 40 -16.236 24.763 -10.195 1.00 0.00 H new ATOM 0 HG SER A 40 -16.409 21.983 -10.421 1.00 0.00 H new ATOM 625 N LEU A 41 -13.893 25.294 -8.813 1.00 0.00 N ATOM 626 CA LEU A 41 -13.246 26.471 -8.163 1.00 0.00 C ATOM 627 C LEU A 41 -14.299 27.550 -7.903 1.00 0.00 C ATOM 628 O LEU A 41 -15.062 27.907 -8.779 1.00 0.00 O ATOM 629 CB LEU A 41 -12.166 27.027 -9.094 1.00 0.00 C ATOM 630 CG LEU A 41 -11.084 27.734 -8.277 1.00 0.00 C ATOM 631 CD1 LEU A 41 -10.216 28.578 -9.212 1.00 0.00 C ATOM 632 CD2 LEU A 41 -11.732 28.640 -7.228 1.00 0.00 C ATOM 0 H LEU A 41 -13.658 25.158 -9.796 1.00 0.00 H new ATOM 0 HA LEU A 41 -12.796 26.168 -7.218 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -11.724 26.218 -9.675 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -12.610 27.724 -9.804 1.00 0.00 H new ATOM 0 HG LEU A 41 -10.468 26.989 -7.774 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -9.443 29.084 -8.633 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -9.748 27.933 -9.956 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -10.837 29.320 -9.714 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -10.955 29.140 -6.650 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -12.352 29.386 -7.725 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -12.351 28.040 -6.561 1.00 0.00 H new ATOM 644 N ALA A 42 -14.346 28.076 -6.710 1.00 0.00 N ATOM 645 CA ALA A 42 -15.349 29.135 -6.406 1.00 0.00 C ATOM 646 C ALA A 42 -14.631 30.463 -6.165 1.00 0.00 C ATOM 647 O ALA A 42 -15.076 31.506 -6.600 1.00 0.00 O ATOM 648 CB ALA A 42 -16.138 28.753 -5.153 1.00 0.00 C ATOM 0 H ALA A 42 -13.735 27.819 -5.935 1.00 0.00 H new ATOM 0 HA ALA A 42 -16.033 29.235 -7.249 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -16.871 29.530 -4.934 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -16.652 27.807 -5.321 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -15.455 28.650 -4.310 1.00 0.00 H new ATOM 654 N GLU A 43 -13.527 30.434 -5.470 1.00 0.00 N ATOM 655 CA GLU A 43 -12.790 31.701 -5.200 1.00 0.00 C ATOM 656 C GLU A 43 -11.280 31.453 -5.242 1.00 0.00 C ATOM 657 O GLU A 43 -10.806 30.372 -4.953 1.00 0.00 O ATOM 658 CB GLU A 43 -13.172 32.231 -3.818 1.00 0.00 C ATOM 659 CG GLU A 43 -14.679 32.487 -3.767 1.00 0.00 C ATOM 660 CD GLU A 43 -15.031 33.180 -2.450 1.00 0.00 C ATOM 661 OE1 GLU A 43 -14.193 33.184 -1.563 1.00 0.00 O ATOM 662 OE2 GLU A 43 -16.134 33.693 -2.350 1.00 0.00 O ATOM 0 H GLU A 43 -13.105 29.592 -5.079 1.00 0.00 H new ATOM 0 HA GLU A 43 -13.056 32.432 -5.964 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -12.889 31.511 -3.050 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -12.629 33.152 -3.607 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -14.983 33.108 -4.610 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -15.222 31.546 -3.852 1.00 0.00 H new ATOM 669 N VAL A 44 -10.525 32.455 -5.598 1.00 0.00 N ATOM 670 CA VAL A 44 -9.045 32.301 -5.660 1.00 0.00 C ATOM 671 C VAL A 44 -8.391 33.560 -5.091 1.00 0.00 C ATOM 672 O VAL A 44 -8.798 34.665 -5.392 1.00 0.00 O ATOM 673 CB VAL A 44 -8.616 32.121 -7.119 1.00 0.00 C ATOM 674 CG1 VAL A 44 -7.158 31.664 -7.171 1.00 0.00 C ATOM 675 CG2 VAL A 44 -9.504 31.068 -7.782 1.00 0.00 C ATOM 0 H VAL A 44 -10.873 33.380 -5.850 1.00 0.00 H new ATOM 0 HA VAL A 44 -8.738 31.430 -5.081 1.00 0.00 H new ATOM 0 HB VAL A 44 -8.717 33.069 -7.647 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -6.854 31.536 -8.210 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -6.525 32.414 -6.697 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -7.055 30.716 -6.643 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -9.201 30.938 -8.821 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -9.402 30.121 -7.253 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -10.544 31.394 -7.746 1.00 0.00 H new ATOM 685 N GLU A 45 -7.377 33.421 -4.278 1.00 0.00 N ATOM 686 CA GLU A 45 -6.721 34.639 -3.723 1.00 0.00 C ATOM 687 C GLU A 45 -5.219 34.580 -3.996 1.00 0.00 C ATOM 688 O GLU A 45 -4.627 33.522 -4.073 1.00 0.00 O ATOM 689 CB GLU A 45 -6.976 34.738 -2.217 1.00 0.00 C ATOM 690 CG GLU A 45 -8.482 34.793 -1.954 1.00 0.00 C ATOM 691 CD GLU A 45 -8.729 35.132 -0.483 1.00 0.00 C ATOM 692 OE1 GLU A 45 -7.778 35.089 0.282 1.00 0.00 O ATOM 693 OE2 GLU A 45 -9.863 35.428 -0.145 1.00 0.00 O ATOM 0 H GLU A 45 -6.980 32.531 -3.978 1.00 0.00 H new ATOM 0 HA GLU A 45 -7.141 35.521 -4.206 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -6.539 33.880 -1.707 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -6.493 35.628 -1.814 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -8.947 35.543 -2.594 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -8.940 33.835 -2.200 1.00 0.00 H new ATOM 700 N LEU A 46 -4.604 35.718 -4.161 1.00 0.00 N ATOM 701 CA LEU A 46 -3.144 35.754 -4.451 1.00 0.00 C ATOM 702 C LEU A 46 -2.420 36.578 -3.383 1.00 0.00 C ATOM 703 O LEU A 46 -2.816 37.682 -3.066 1.00 0.00 O ATOM 704 CB LEU A 46 -2.936 36.410 -5.818 1.00 0.00 C ATOM 705 CG LEU A 46 -1.446 36.661 -6.051 1.00 0.00 C ATOM 706 CD1 LEU A 46 -0.650 35.413 -5.671 1.00 0.00 C ATOM 707 CD2 LEU A 46 -1.214 36.977 -7.529 1.00 0.00 C ATOM 0 H LEU A 46 -5.054 36.632 -4.107 1.00 0.00 H new ATOM 0 HA LEU A 46 -2.744 34.740 -4.450 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -3.333 35.768 -6.604 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -3.485 37.351 -5.867 1.00 0.00 H new ATOM 0 HG LEU A 46 -1.119 37.500 -5.438 1.00 0.00 H new ATOM 0 HD11 LEU A 46 0.412 35.594 -5.838 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -0.818 35.181 -4.619 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -0.976 34.573 -6.284 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -0.153 37.157 -7.700 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -1.542 36.134 -8.137 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -1.782 37.866 -7.805 1.00 0.00 H new ATOM 719 N ARG A 47 -1.358 36.058 -2.834 1.00 0.00 N ATOM 720 CA ARG A 47 -0.609 36.825 -1.800 1.00 0.00 C ATOM 721 C ARG A 47 0.817 37.071 -2.295 1.00 0.00 C ATOM 722 O ARG A 47 1.464 36.187 -2.823 1.00 0.00 O ATOM 723 CB ARG A 47 -0.575 36.035 -0.490 1.00 0.00 C ATOM 724 CG ARG A 47 0.280 36.784 0.534 1.00 0.00 C ATOM 725 CD ARG A 47 0.097 36.148 1.913 1.00 0.00 C ATOM 726 NE ARG A 47 0.834 34.855 1.967 1.00 0.00 N ATOM 727 CZ ARG A 47 0.985 34.236 3.106 1.00 0.00 C ATOM 728 NH1 ARG A 47 0.230 34.549 4.123 1.00 0.00 N ATOM 729 NH2 ARG A 47 1.890 33.304 3.228 1.00 0.00 N ATOM 0 H ARG A 47 -0.977 35.138 -3.056 1.00 0.00 H new ATOM 0 HA ARG A 47 -1.104 37.780 -1.623 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -1.587 35.901 -0.107 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -0.166 35.040 -0.663 1.00 0.00 H new ATOM 0 HG2 ARG A 47 1.330 36.750 0.242 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -0.008 37.835 0.565 1.00 0.00 H new ATOM 0 HD2 ARG A 47 0.465 36.821 2.687 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -0.962 35.983 2.111 1.00 0.00 H new ATOM 0 HE ARG A 47 1.221 34.453 1.113 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -0.478 35.277 4.028 1.00 0.00 H new ATOM 0 HH12 ARG A 47 0.348 34.065 5.013 1.00 0.00 H new ATOM 0 HH21 ARG A 47 2.480 33.059 2.433 1.00 0.00 H new ATOM 0 HH22 ARG A 47 2.007 32.821 4.118 1.00 0.00 H new ATOM 743 N GLN A 48 1.307 38.270 -2.141 1.00 0.00 N ATOM 744 CA GLN A 48 2.685 38.582 -2.615 1.00 0.00 C ATOM 745 C GLN A 48 3.716 37.976 -1.663 1.00 0.00 C ATOM 746 O GLN A 48 3.475 37.817 -0.482 1.00 0.00 O ATOM 747 CB GLN A 48 2.870 40.098 -2.666 1.00 0.00 C ATOM 748 CG GLN A 48 1.908 40.693 -3.695 1.00 0.00 C ATOM 749 CD GLN A 48 2.247 42.168 -3.916 1.00 0.00 C ATOM 750 OE1 GLN A 48 1.706 42.804 -4.917 1.00 0.00 O flip ATOM 751 NE2 GLN A 48 3.013 42.745 -3.171 1.00 0.00 N flip ATOM 0 H GLN A 48 0.812 39.049 -1.707 1.00 0.00 H new ATOM 0 HA GLN A 48 2.826 38.159 -3.609 1.00 0.00 H new ATOM 0 HB2 GLN A 48 2.683 40.531 -1.684 1.00 0.00 H new ATOM 0 HB3 GLN A 48 3.899 40.341 -2.931 1.00 0.00 H new ATOM 0 HG2 GLN A 48 1.981 40.147 -4.636 1.00 0.00 H new ATOM 0 HG3 GLN A 48 0.880 40.593 -3.348 1.00 0.00 H new ATOM 0 HE21 GLN A 48 3.436 42.246 -2.388 1.00 0.00 H new ATOM 0 HE22 GLN A 48 3.234 43.728 -3.328 1.00 0.00 H new ATOM 760 N HIS A 49 4.867 37.635 -2.174 1.00 0.00 N ATOM 761 CA HIS A 49 5.924 37.038 -1.310 1.00 0.00 C ATOM 762 C HIS A 49 6.427 38.086 -0.315 1.00 0.00 C ATOM 763 O HIS A 49 7.055 39.058 -0.688 1.00 0.00 O ATOM 764 CB HIS A 49 7.089 36.566 -2.183 1.00 0.00 C ATOM 765 CG HIS A 49 8.313 36.368 -1.330 1.00 0.00 C ATOM 766 ND1 HIS A 49 9.091 37.430 -0.896 1.00 0.00 N ATOM 767 CD2 HIS A 49 8.903 35.238 -0.823 1.00 0.00 C ATOM 768 CE1 HIS A 49 10.098 36.921 -0.163 1.00 0.00 C ATOM 769 NE2 HIS A 49 10.031 35.589 -0.086 1.00 0.00 N ATOM 0 H HIS A 49 5.122 37.745 -3.156 1.00 0.00 H new ATOM 0 HA HIS A 49 5.509 36.190 -0.765 1.00 0.00 H new ATOM 0 HB2 HIS A 49 6.827 35.633 -2.683 1.00 0.00 H new ATOM 0 HB3 HIS A 49 7.292 37.300 -2.963 1.00 0.00 H new ATOM 0 HD1 HIS A 49 8.930 38.417 -1.096 1.00 0.00 H new ATOM 0 HD2 HIS A 49 8.547 34.230 -0.973 1.00 0.00 H new ATOM 0 HE1 HIS A 49 10.867 37.517 0.306 1.00 0.00 H new ATOM 777 N GLY A 50 6.161 37.894 0.947 1.00 0.00 N ATOM 778 CA GLY A 50 6.631 38.878 1.963 1.00 0.00 C ATOM 779 C GLY A 50 5.432 39.645 2.524 1.00 0.00 C ATOM 780 O GLY A 50 5.576 40.511 3.364 1.00 0.00 O ATOM 0 H GLY A 50 5.640 37.100 1.319 1.00 0.00 H new ATOM 0 HA2 GLY A 50 7.156 38.363 2.768 1.00 0.00 H new ATOM 0 HA3 GLY A 50 7.341 39.571 1.512 1.00 0.00 H new ATOM 784 N SER A 51 4.250 39.335 2.069 1.00 0.00 N ATOM 785 CA SER A 51 3.047 40.048 2.580 1.00 0.00 C ATOM 786 C SER A 51 2.171 39.067 3.361 1.00 0.00 C ATOM 787 O SER A 51 2.217 37.872 3.147 1.00 0.00 O ATOM 788 CB SER A 51 2.253 40.619 1.404 1.00 0.00 C ATOM 789 OG SER A 51 1.426 41.679 1.863 1.00 0.00 O ATOM 0 H SER A 51 4.065 38.619 1.366 1.00 0.00 H new ATOM 0 HA SER A 51 3.356 40.862 3.236 1.00 0.00 H new ATOM 0 HB2 SER A 51 2.933 40.981 0.633 1.00 0.00 H new ATOM 0 HB3 SER A 51 1.643 39.838 0.949 1.00 0.00 H new ATOM 0 HG SER A 51 0.918 42.047 1.110 1.00 0.00 H new ATOM 795 N GLU A 52 1.372 39.562 4.265 1.00 0.00 N ATOM 796 CA GLU A 52 0.495 38.659 5.061 1.00 0.00 C ATOM 797 C GLU A 52 -0.957 38.837 4.614 1.00 0.00 C ATOM 798 O GLU A 52 -1.817 38.039 4.932 1.00 0.00 O ATOM 799 CB GLU A 52 0.620 39.010 6.545 1.00 0.00 C ATOM 800 CG GLU A 52 2.084 39.300 6.880 1.00 0.00 C ATOM 801 CD GLU A 52 2.161 40.088 8.189 1.00 0.00 C ATOM 802 OE1 GLU A 52 1.141 40.620 8.598 1.00 0.00 O ATOM 803 OE2 GLU A 52 3.237 40.146 8.760 1.00 0.00 O ATOM 0 H GLU A 52 1.289 40.554 4.487 1.00 0.00 H new ATOM 0 HA GLU A 52 0.798 37.624 4.905 1.00 0.00 H new ATOM 0 HB2 GLU A 52 0.004 39.879 6.777 1.00 0.00 H new ATOM 0 HB3 GLU A 52 0.252 38.186 7.157 1.00 0.00 H new ATOM 0 HG2 GLU A 52 2.639 38.366 6.972 1.00 0.00 H new ATOM 0 HG3 GLU A 52 2.547 39.868 6.073 1.00 0.00 H new ATOM 810 N GLU A 53 -1.239 39.879 3.883 1.00 0.00 N ATOM 811 CA GLU A 53 -2.638 40.109 3.420 1.00 0.00 C ATOM 812 C GLU A 53 -2.831 39.493 2.032 1.00 0.00 C ATOM 813 O GLU A 53 -2.194 39.882 1.073 1.00 0.00 O ATOM 814 CB GLU A 53 -2.911 41.613 3.354 1.00 0.00 C ATOM 815 CG GLU A 53 -2.821 42.209 4.760 1.00 0.00 C ATOM 816 CD GLU A 53 -3.176 43.697 4.708 1.00 0.00 C ATOM 817 OE1 GLU A 53 -3.305 44.217 3.612 1.00 0.00 O ATOM 818 OE2 GLU A 53 -3.313 44.290 5.765 1.00 0.00 O ATOM 0 H GLU A 53 -0.562 40.582 3.586 1.00 0.00 H new ATOM 0 HA GLU A 53 -3.331 39.642 4.120 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -2.189 42.096 2.696 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -3.899 41.796 2.932 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -3.501 41.686 5.432 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -1.815 42.078 5.158 1.00 0.00 H new ATOM 825 N TRP A 54 -3.712 38.536 1.921 1.00 0.00 N ATOM 826 CA TRP A 54 -3.957 37.891 0.599 1.00 0.00 C ATOM 827 C TRP A 54 -4.793 38.822 -0.280 1.00 0.00 C ATOM 828 O TRP A 54 -5.713 39.471 0.178 1.00 0.00 O ATOM 829 CB TRP A 54 -4.711 36.576 0.806 1.00 0.00 C ATOM 830 CG TRP A 54 -3.747 35.500 1.186 1.00 0.00 C ATOM 831 CD1 TRP A 54 -3.166 35.371 2.401 1.00 0.00 C ATOM 832 CD2 TRP A 54 -3.246 34.403 0.372 1.00 0.00 C ATOM 833 NE1 TRP A 54 -2.337 34.264 2.382 1.00 0.00 N ATOM 834 CE2 TRP A 54 -2.353 33.634 1.154 1.00 0.00 C ATOM 835 CE3 TRP A 54 -3.478 34.006 -0.956 1.00 0.00 C ATOM 836 CZ2 TRP A 54 -1.711 32.509 0.634 1.00 0.00 C ATOM 837 CZ3 TRP A 54 -2.834 32.875 -1.482 1.00 0.00 C ATOM 838 CH2 TRP A 54 -1.953 32.128 -0.689 1.00 0.00 C ATOM 0 H TRP A 54 -4.274 38.172 2.691 1.00 0.00 H new ATOM 0 HA TRP A 54 -3.002 37.693 0.112 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -5.464 36.696 1.585 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -5.238 36.300 -0.107 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -3.324 36.025 3.246 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -1.782 33.951 3.178 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -4.156 34.574 -1.576 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -1.032 31.937 1.249 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -3.019 32.579 -2.504 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -1.461 31.259 -1.100 1.00 0.00 H new ATOM 849 N GLU A 55 -4.477 38.886 -1.546 1.00 0.00 N ATOM 850 CA GLU A 55 -5.247 39.766 -2.470 1.00 0.00 C ATOM 851 C GLU A 55 -6.135 38.898 -3.364 1.00 0.00 C ATOM 852 O GLU A 55 -5.674 37.969 -3.995 1.00 0.00 O ATOM 853 CB GLU A 55 -4.273 40.567 -3.340 1.00 0.00 C ATOM 854 CG GLU A 55 -4.880 41.934 -3.661 1.00 0.00 C ATOM 855 CD GLU A 55 -4.328 42.977 -2.687 1.00 0.00 C ATOM 856 OE1 GLU A 55 -4.845 43.062 -1.585 1.00 0.00 O ATOM 857 OE2 GLU A 55 -3.398 43.672 -3.059 1.00 0.00 O ATOM 0 H GLU A 55 -3.716 38.364 -1.981 1.00 0.00 H new ATOM 0 HA GLU A 55 -5.866 40.453 -1.894 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -3.323 40.692 -2.820 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -4.063 40.025 -4.262 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -4.644 42.217 -4.687 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -5.966 41.889 -3.585 1.00 0.00 H new ATOM 864 N PRO A 56 -7.439 39.207 -3.409 1.00 0.00 N ATOM 865 CA PRO A 56 -8.403 38.452 -4.219 1.00 0.00 C ATOM 866 C PRO A 56 -8.193 38.670 -5.721 1.00 0.00 C ATOM 867 O PRO A 56 -7.745 39.716 -6.150 1.00 0.00 O ATOM 868 CB PRO A 56 -9.753 39.027 -3.793 1.00 0.00 C ATOM 869 CG PRO A 56 -9.439 40.399 -3.298 1.00 0.00 C ATOM 870 CD PRO A 56 -8.073 40.317 -2.678 1.00 0.00 C ATOM 0 HA PRO A 56 -8.309 37.377 -4.063 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -10.452 39.058 -4.629 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -10.214 38.420 -3.014 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -9.453 41.121 -4.115 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -10.179 40.729 -2.568 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -7.519 41.248 -2.799 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -8.128 40.116 -1.608 1.00 0.00 H new ATOM 878 N LEU A 57 -8.521 37.694 -6.524 1.00 0.00 N ATOM 879 CA LEU A 57 -8.350 37.846 -7.997 1.00 0.00 C ATOM 880 C LEU A 57 -9.729 38.004 -8.641 1.00 0.00 C ATOM 881 O LEU A 57 -10.683 37.367 -8.238 1.00 0.00 O ATOM 882 CB LEU A 57 -7.670 36.599 -8.567 1.00 0.00 C ATOM 883 CG LEU A 57 -6.235 36.505 -8.042 1.00 0.00 C ATOM 884 CD1 LEU A 57 -6.256 36.279 -6.530 1.00 0.00 C ATOM 885 CD2 LEU A 57 -5.524 35.333 -8.721 1.00 0.00 C ATOM 0 H LEU A 57 -8.901 36.797 -6.223 1.00 0.00 H new ATOM 0 HA LEU A 57 -7.735 38.721 -8.207 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -8.229 35.707 -8.284 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -7.666 36.641 -9.656 1.00 0.00 H new ATOM 0 HG LEU A 57 -5.706 37.432 -8.262 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -5.234 36.212 -6.158 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -6.765 37.112 -6.045 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -6.784 35.352 -6.308 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -4.502 35.263 -8.349 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -6.055 34.407 -8.499 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -5.508 35.492 -9.799 1.00 0.00 H new ATOM 897 N THR A 58 -9.852 38.838 -9.637 1.00 0.00 N ATOM 898 CA THR A 58 -11.183 39.009 -10.284 1.00 0.00 C ATOM 899 C THR A 58 -11.286 38.054 -11.475 1.00 0.00 C ATOM 900 O THR A 58 -10.426 38.024 -12.333 1.00 0.00 O ATOM 901 CB THR A 58 -11.347 40.456 -10.759 1.00 0.00 C ATOM 902 OG1 THR A 58 -11.125 41.338 -9.667 1.00 0.00 O ATOM 903 CG2 THR A 58 -12.762 40.660 -11.303 1.00 0.00 C ATOM 0 H THR A 58 -9.097 39.403 -10.027 1.00 0.00 H new ATOM 0 HA THR A 58 -11.972 38.783 -9.566 1.00 0.00 H new ATOM 0 HB THR A 58 -10.625 40.664 -11.548 1.00 0.00 H new ATOM 0 HG1 THR A 58 -11.228 42.265 -9.969 1.00 0.00 H new ATOM 0 HG21 THR A 58 -12.877 41.690 -11.641 1.00 0.00 H new ATOM 0 HG22 THR A 58 -12.931 39.983 -12.140 1.00 0.00 H new ATOM 0 HG23 THR A 58 -13.488 40.453 -10.516 1.00 0.00 H new ATOM 911 N LYS A 59 -12.324 37.263 -11.529 1.00 0.00 N ATOM 912 CA LYS A 59 -12.467 36.302 -12.660 1.00 0.00 C ATOM 913 C LYS A 59 -12.853 37.057 -13.933 1.00 0.00 C ATOM 914 O LYS A 59 -13.953 37.557 -14.056 1.00 0.00 O ATOM 915 CB LYS A 59 -13.557 35.283 -12.321 1.00 0.00 C ATOM 916 CG LYS A 59 -13.427 34.071 -13.246 1.00 0.00 C ATOM 917 CD LYS A 59 -14.350 32.955 -12.754 1.00 0.00 C ATOM 918 CE LYS A 59 -13.983 31.644 -13.452 1.00 0.00 C ATOM 919 NZ LYS A 59 -14.886 31.434 -14.619 1.00 0.00 N ATOM 0 H LYS A 59 -13.077 37.241 -10.841 1.00 0.00 H new ATOM 0 HA LYS A 59 -11.520 35.787 -12.821 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -13.467 34.971 -11.280 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -14.542 35.736 -12.434 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -13.687 34.349 -14.267 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -12.394 33.722 -13.264 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -14.258 32.842 -11.674 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -15.389 33.211 -12.960 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -12.945 31.674 -13.782 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -14.072 30.811 -12.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -14.637 30.543 -15.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -15.872 31.388 -14.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -14.780 32.224 -15.287 1.00 0.00 H new ATOM 933 N LYS A 60 -11.962 37.150 -14.883 1.00 0.00 N ATOM 934 CA LYS A 60 -12.296 37.879 -16.139 1.00 0.00 C ATOM 935 C LYS A 60 -12.426 36.884 -17.296 1.00 0.00 C ATOM 936 O LYS A 60 -11.457 36.297 -17.732 1.00 0.00 O ATOM 937 CB LYS A 60 -11.193 38.891 -16.452 1.00 0.00 C ATOM 938 CG LYS A 60 -11.266 40.048 -15.454 1.00 0.00 C ATOM 939 CD LYS A 60 -10.959 41.363 -16.172 1.00 0.00 C ATOM 940 CE LYS A 60 -10.899 42.500 -15.148 1.00 0.00 C ATOM 941 NZ LYS A 60 -12.260 42.735 -14.588 1.00 0.00 N ATOM 0 H LYS A 60 -11.022 36.755 -14.844 1.00 0.00 H new ATOM 0 HA LYS A 60 -13.243 38.404 -16.010 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -10.217 38.410 -16.397 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -11.306 39.266 -17.469 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -12.257 40.091 -15.003 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -10.554 39.889 -14.644 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -10.010 41.287 -16.703 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -11.726 41.571 -16.918 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -10.203 42.247 -14.348 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -10.526 43.409 -15.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -12.275 43.643 -14.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -12.954 42.759 -15.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -12.502 41.967 -13.930 1.00 0.00 H new ATOM 955 N GLY A 61 -13.617 36.692 -17.794 1.00 0.00 N ATOM 956 CA GLY A 61 -13.809 35.736 -18.921 1.00 0.00 C ATOM 957 C GLY A 61 -13.442 34.324 -18.459 1.00 0.00 C ATOM 958 O GLY A 61 -14.273 33.587 -17.966 1.00 0.00 O ATOM 0 H GLY A 61 -14.465 37.156 -17.469 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -14.844 35.761 -19.261 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -13.188 36.026 -19.768 1.00 0.00 H new ATOM 962 N ASN A 62 -12.205 33.943 -18.612 1.00 0.00 N ATOM 963 CA ASN A 62 -11.784 32.581 -18.180 1.00 0.00 C ATOM 964 C ASN A 62 -10.414 32.666 -17.506 1.00 0.00 C ATOM 965 O ASN A 62 -9.718 31.682 -17.363 1.00 0.00 O ATOM 966 CB ASN A 62 -11.697 31.662 -19.400 1.00 0.00 C ATOM 967 CG ASN A 62 -10.581 32.148 -20.326 1.00 0.00 C ATOM 968 OD1 ASN A 62 -10.088 33.248 -20.177 1.00 0.00 O ATOM 969 ND2 ASN A 62 -10.159 31.368 -21.284 1.00 0.00 N ATOM 0 H ASN A 62 -11.466 34.517 -19.018 1.00 0.00 H new ATOM 0 HA ASN A 62 -12.513 32.179 -17.476 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -11.501 30.637 -19.084 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -12.648 31.655 -19.932 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -9.415 31.682 -21.907 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -10.573 30.444 -21.409 1.00 0.00 H new ATOM 976 N VAL A 63 -10.024 33.840 -17.085 1.00 0.00 N ATOM 977 CA VAL A 63 -8.702 33.991 -16.418 1.00 0.00 C ATOM 978 C VAL A 63 -8.881 34.770 -15.115 1.00 0.00 C ATOM 979 O VAL A 63 -9.949 35.269 -14.821 1.00 0.00 O ATOM 980 CB VAL A 63 -7.747 34.754 -17.340 1.00 0.00 C ATOM 981 CG1 VAL A 63 -7.387 33.876 -18.540 1.00 0.00 C ATOM 982 CG2 VAL A 63 -8.426 36.035 -17.830 1.00 0.00 C ATOM 0 H VAL A 63 -10.565 34.700 -17.175 1.00 0.00 H new ATOM 0 HA VAL A 63 -8.287 33.006 -16.203 1.00 0.00 H new ATOM 0 HB VAL A 63 -6.840 35.010 -16.792 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -6.707 34.419 -19.197 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -6.904 32.963 -18.191 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -8.294 33.619 -19.088 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -7.747 36.579 -18.486 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -9.333 35.779 -18.378 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -8.683 36.661 -16.975 1.00 0.00 H new ATOM 992 N TRP A 64 -7.844 34.883 -14.331 1.00 0.00 N ATOM 993 CA TRP A 64 -7.959 35.635 -13.050 1.00 0.00 C ATOM 994 C TRP A 64 -6.920 36.757 -13.027 1.00 0.00 C ATOM 995 O TRP A 64 -5.747 36.535 -13.265 1.00 0.00 O ATOM 996 CB TRP A 64 -7.713 34.685 -11.876 1.00 0.00 C ATOM 997 CG TRP A 64 -8.807 33.664 -11.822 1.00 0.00 C ATOM 998 CD1 TRP A 64 -8.913 32.596 -12.646 1.00 0.00 C ATOM 999 CD2 TRP A 64 -9.947 33.596 -10.916 1.00 0.00 C ATOM 1000 NE1 TRP A 64 -10.043 31.877 -12.304 1.00 0.00 N ATOM 1001 CE2 TRP A 64 -10.714 32.453 -11.243 1.00 0.00 C ATOM 1002 CE3 TRP A 64 -10.385 34.406 -9.852 1.00 0.00 C ATOM 1003 CZ2 TRP A 64 -11.874 32.124 -10.540 1.00 0.00 C ATOM 1004 CZ3 TRP A 64 -11.553 34.079 -9.143 1.00 0.00 C ATOM 1005 CH2 TRP A 64 -12.295 32.939 -9.487 1.00 0.00 C ATOM 0 H TRP A 64 -6.923 34.488 -14.522 1.00 0.00 H new ATOM 0 HA TRP A 64 -8.958 36.062 -12.966 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -6.747 34.193 -11.989 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -7.678 35.246 -10.942 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -8.227 32.346 -13.441 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -10.344 31.025 -12.777 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -9.820 35.285 -9.579 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -12.442 31.245 -10.808 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -11.881 34.708 -8.329 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -13.191 32.692 -8.938 1.00 0.00 H new ATOM 1016 N GLU A 65 -7.338 37.961 -12.746 1.00 0.00 N ATOM 1017 CA GLU A 65 -6.372 39.094 -12.714 1.00 0.00 C ATOM 1018 C GLU A 65 -6.327 39.691 -11.307 1.00 0.00 C ATOM 1019 O GLU A 65 -7.291 39.649 -10.569 1.00 0.00 O ATOM 1020 CB GLU A 65 -6.812 40.170 -13.709 1.00 0.00 C ATOM 1021 CG GLU A 65 -5.847 41.355 -13.635 1.00 0.00 C ATOM 1022 CD GLU A 65 -6.286 42.435 -14.626 1.00 0.00 C ATOM 1023 OE1 GLU A 65 -7.413 42.365 -15.088 1.00 0.00 O ATOM 1024 OE2 GLU A 65 -5.488 43.314 -14.905 1.00 0.00 O ATOM 0 H GLU A 65 -8.305 38.208 -12.538 1.00 0.00 H new ATOM 0 HA GLU A 65 -5.381 38.730 -12.985 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -6.828 39.762 -14.720 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -7.826 40.498 -13.482 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -5.830 41.760 -12.623 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -4.833 41.027 -13.864 1.00 0.00 H new ATOM 1031 N VAL A 66 -5.210 40.253 -10.933 1.00 0.00 N ATOM 1032 CA VAL A 66 -5.094 40.860 -9.578 1.00 0.00 C ATOM 1033 C VAL A 66 -4.193 42.094 -9.652 1.00 0.00 C ATOM 1034 O VAL A 66 -3.200 42.107 -10.352 1.00 0.00 O ATOM 1035 CB VAL A 66 -4.485 39.842 -8.610 1.00 0.00 C ATOM 1036 CG1 VAL A 66 -3.259 39.192 -9.254 1.00 0.00 C ATOM 1037 CG2 VAL A 66 -4.068 40.549 -7.319 1.00 0.00 C ATOM 0 H VAL A 66 -4.371 40.318 -11.509 1.00 0.00 H new ATOM 0 HA VAL A 66 -6.083 41.149 -9.223 1.00 0.00 H new ATOM 0 HB VAL A 66 -5.224 39.074 -8.381 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -2.827 38.468 -8.564 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -3.556 38.686 -10.172 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -2.520 39.959 -9.485 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -3.635 39.824 -6.631 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -3.330 41.318 -7.547 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -4.942 41.010 -6.858 1.00 0.00 H new ATOM 1047 N LYS A 67 -4.530 43.133 -8.938 1.00 0.00 N ATOM 1048 CA LYS A 67 -3.687 44.362 -8.975 1.00 0.00 C ATOM 1049 C LYS A 67 -3.210 44.703 -7.563 1.00 0.00 C ATOM 1050 O LYS A 67 -3.974 44.710 -6.619 1.00 0.00 O ATOM 1051 CB LYS A 67 -4.503 45.528 -9.535 1.00 0.00 C ATOM 1052 CG LYS A 67 -5.089 45.138 -10.893 1.00 0.00 C ATOM 1053 CD LYS A 67 -6.053 46.228 -11.363 1.00 0.00 C ATOM 1054 CE LYS A 67 -6.566 45.887 -12.763 1.00 0.00 C ATOM 1055 NZ LYS A 67 -7.835 45.113 -12.653 1.00 0.00 N ATOM 0 H LYS A 67 -5.349 43.184 -8.333 1.00 0.00 H new ATOM 0 HA LYS A 67 -2.822 44.185 -9.615 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -5.304 45.790 -8.844 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -3.871 46.410 -9.640 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -4.289 45.006 -11.622 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -5.611 44.184 -10.816 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -6.889 46.313 -10.669 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -5.549 47.194 -11.374 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -6.733 46.801 -13.333 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -5.819 45.306 -13.304 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -8.184 44.881 -13.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -7.661 44.234 -12.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -8.547 45.683 -12.153 1.00 0.00 H new ATOM 1069 N SER A 68 -1.944 44.987 -7.417 1.00 0.00 N ATOM 1070 CA SER A 68 -1.399 45.331 -6.075 1.00 0.00 C ATOM 1071 C SER A 68 -0.878 46.769 -6.093 1.00 0.00 C ATOM 1072 O SER A 68 -0.010 47.113 -6.872 1.00 0.00 O ATOM 1073 CB SER A 68 -0.247 44.384 -5.740 1.00 0.00 C ATOM 1074 OG SER A 68 0.248 44.683 -4.444 1.00 0.00 O ATOM 0 H SER A 68 -1.261 44.995 -8.175 1.00 0.00 H new ATOM 0 HA SER A 68 -2.185 45.234 -5.326 1.00 0.00 H new ATOM 0 HB2 SER A 68 -0.588 43.350 -5.781 1.00 0.00 H new ATOM 0 HB3 SER A 68 0.549 44.487 -6.478 1.00 0.00 H new ATOM 0 HG SER A 68 1.141 44.293 -4.337 1.00 0.00 H new ATOM 1080 N SER A 69 -1.396 47.611 -5.245 1.00 0.00 N ATOM 1081 CA SER A 69 -0.922 49.023 -5.221 1.00 0.00 C ATOM 1082 C SER A 69 0.609 49.043 -5.179 1.00 0.00 C ATOM 1083 O SER A 69 1.237 50.012 -5.559 1.00 0.00 O ATOM 1084 CB SER A 69 -1.477 49.728 -3.982 1.00 0.00 C ATOM 1085 OG SER A 69 -2.879 49.901 -4.125 1.00 0.00 O ATOM 0 H SER A 69 -2.125 47.384 -4.569 1.00 0.00 H new ATOM 0 HA SER A 69 -1.269 49.539 -6.116 1.00 0.00 H new ATOM 0 HB2 SER A 69 -1.261 49.141 -3.089 1.00 0.00 H new ATOM 0 HB3 SER A 69 -0.992 50.695 -3.853 1.00 0.00 H new ATOM 0 HG SER A 69 -3.236 50.351 -3.331 1.00 0.00 H new ATOM 1091 N LYS A 70 1.212 47.980 -4.722 1.00 0.00 N ATOM 1092 CA LYS A 70 2.700 47.936 -4.657 1.00 0.00 C ATOM 1093 C LYS A 70 3.224 46.954 -5.708 1.00 0.00 C ATOM 1094 O LYS A 70 2.460 46.313 -6.402 1.00 0.00 O ATOM 1095 CB LYS A 70 3.133 47.472 -3.264 1.00 0.00 C ATOM 1096 CG LYS A 70 3.812 48.630 -2.529 1.00 0.00 C ATOM 1097 CD LYS A 70 3.115 48.860 -1.185 1.00 0.00 C ATOM 1098 CE LYS A 70 3.871 48.113 -0.084 1.00 0.00 C ATOM 1099 NZ LYS A 70 3.747 48.864 1.198 1.00 0.00 N ATOM 0 H LYS A 70 0.738 47.140 -4.391 1.00 0.00 H new ATOM 0 HA LYS A 70 3.105 48.929 -4.852 1.00 0.00 H new ATOM 0 HB2 LYS A 70 2.268 47.126 -2.699 1.00 0.00 H new ATOM 0 HB3 LYS A 70 3.818 46.628 -3.347 1.00 0.00 H new ATOM 0 HG2 LYS A 70 4.867 48.405 -2.370 1.00 0.00 H new ATOM 0 HG3 LYS A 70 3.767 49.535 -3.134 1.00 0.00 H new ATOM 0 HD2 LYS A 70 3.081 49.926 -0.959 1.00 0.00 H new ATOM 0 HD3 LYS A 70 2.083 48.511 -1.234 1.00 0.00 H new ATOM 0 HE2 LYS A 70 3.468 47.107 0.031 1.00 0.00 H new ATOM 0 HE3 LYS A 70 4.921 48.007 -0.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 4.260 48.358 1.948 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 4.151 49.815 1.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 2.743 48.943 1.458 1.00 0.00 H new ATOM 1113 N PRO A 71 4.557 46.835 -5.824 1.00 0.00 N ATOM 1114 CA PRO A 71 5.187 45.927 -6.791 1.00 0.00 C ATOM 1115 C PRO A 71 4.958 44.459 -6.420 1.00 0.00 C ATOM 1116 O PRO A 71 4.779 44.122 -5.266 1.00 0.00 O ATOM 1117 CB PRO A 71 6.673 46.272 -6.689 1.00 0.00 C ATOM 1118 CG PRO A 71 6.831 46.842 -5.321 1.00 0.00 C ATOM 1119 CD PRO A 71 5.552 47.572 -5.025 1.00 0.00 C ATOM 0 HA PRO A 71 4.779 46.046 -7.795 1.00 0.00 H new ATOM 0 HB2 PRO A 71 7.296 45.388 -6.825 1.00 0.00 H new ATOM 0 HB3 PRO A 71 6.967 46.990 -7.455 1.00 0.00 H new ATOM 0 HG2 PRO A 71 7.009 46.055 -4.589 1.00 0.00 H new ATOM 0 HG3 PRO A 71 7.685 47.518 -5.276 1.00 0.00 H new ATOM 0 HD2 PRO A 71 5.312 47.551 -3.962 1.00 0.00 H new ATOM 0 HD3 PRO A 71 5.609 48.620 -5.318 1.00 0.00 H new ATOM 1127 N LEU A 72 4.957 43.583 -7.388 1.00 0.00 N ATOM 1128 CA LEU A 72 4.734 42.140 -7.086 1.00 0.00 C ATOM 1129 C LEU A 72 6.075 41.455 -6.823 1.00 0.00 C ATOM 1130 O LEU A 72 7.052 41.691 -7.506 1.00 0.00 O ATOM 1131 CB LEU A 72 4.039 41.472 -8.273 1.00 0.00 C ATOM 1132 CG LEU A 72 2.836 42.315 -8.701 1.00 0.00 C ATOM 1133 CD1 LEU A 72 2.741 42.330 -10.228 1.00 0.00 C ATOM 1134 CD2 LEU A 72 1.557 41.714 -8.116 1.00 0.00 C ATOM 0 H LEU A 72 5.101 43.804 -8.373 1.00 0.00 H new ATOM 0 HA LEU A 72 4.106 42.049 -6.200 1.00 0.00 H new ATOM 0 HB2 LEU A 72 4.736 41.366 -9.104 1.00 0.00 H new ATOM 0 HB3 LEU A 72 3.714 40.468 -8.000 1.00 0.00 H new ATOM 0 HG LEU A 72 2.958 43.334 -8.335 1.00 0.00 H new ATOM 0 HD11 LEU A 72 1.884 42.930 -10.533 1.00 0.00 H new ATOM 0 HD12 LEU A 72 3.652 42.759 -10.645 1.00 0.00 H new ATOM 0 HD13 LEU A 72 2.619 41.311 -10.595 1.00 0.00 H new ATOM 0 HD21 LEU A 72 0.700 42.315 -8.421 1.00 0.00 H new ATOM 0 HD22 LEU A 72 1.434 40.694 -8.481 1.00 0.00 H new ATOM 0 HD23 LEU A 72 1.624 41.704 -7.028 1.00 0.00 H new ATOM 1146 N VAL A 73 6.126 40.607 -5.833 1.00 0.00 N ATOM 1147 CA VAL A 73 7.398 39.902 -5.513 1.00 0.00 C ATOM 1148 C VAL A 73 7.154 38.392 -5.481 1.00 0.00 C ATOM 1149 O VAL A 73 6.298 37.905 -4.768 1.00 0.00 O ATOM 1150 CB VAL A 73 7.899 40.361 -4.143 1.00 0.00 C ATOM 1151 CG1 VAL A 73 9.274 39.749 -3.874 1.00 0.00 C ATOM 1152 CG2 VAL A 73 8.006 41.887 -4.126 1.00 0.00 C ATOM 0 H VAL A 73 5.338 40.371 -5.230 1.00 0.00 H new ATOM 0 HA VAL A 73 8.143 40.134 -6.275 1.00 0.00 H new ATOM 0 HB VAL A 73 7.200 40.038 -3.371 1.00 0.00 H new ATOM 0 HG11 VAL A 73 9.633 40.075 -2.898 1.00 0.00 H new ATOM 0 HG12 VAL A 73 9.197 38.662 -3.888 1.00 0.00 H new ATOM 0 HG13 VAL A 73 9.974 40.073 -4.644 1.00 0.00 H new ATOM 0 HG21 VAL A 73 8.363 42.216 -3.150 1.00 0.00 H new ATOM 0 HG22 VAL A 73 8.706 42.211 -4.896 1.00 0.00 H new ATOM 0 HG23 VAL A 73 7.026 42.323 -4.319 1.00 0.00 H new ATOM 1162 N GLY A 74 7.906 37.645 -6.243 1.00 0.00 N ATOM 1163 CA GLY A 74 7.724 36.166 -6.251 1.00 0.00 C ATOM 1164 C GLY A 74 8.703 35.532 -5.260 1.00 0.00 C ATOM 1165 O GLY A 74 9.616 36.176 -4.782 1.00 0.00 O ATOM 0 H GLY A 74 8.639 37.995 -6.860 1.00 0.00 H new ATOM 0 HA2 GLY A 74 6.699 35.912 -5.980 1.00 0.00 H new ATOM 0 HA3 GLY A 74 7.896 35.772 -7.253 1.00 0.00 H new ATOM 1169 N PRO A 75 8.504 34.243 -4.943 1.00 0.00 N ATOM 1170 CA PRO A 75 7.410 33.443 -5.505 1.00 0.00 C ATOM 1171 C PRO A 75 6.041 33.913 -5.008 1.00 0.00 C ATOM 1172 O PRO A 75 5.895 34.390 -3.902 1.00 0.00 O ATOM 1173 CB PRO A 75 7.701 32.030 -5.000 1.00 0.00 C ATOM 1174 CG PRO A 75 8.506 32.235 -3.762 1.00 0.00 C ATOM 1175 CD PRO A 75 9.333 33.467 -4.003 1.00 0.00 C ATOM 0 HA PRO A 75 7.367 33.518 -6.592 1.00 0.00 H new ATOM 0 HB2 PRO A 75 6.780 31.486 -4.789 1.00 0.00 H new ATOM 0 HB3 PRO A 75 8.252 31.449 -5.740 1.00 0.00 H new ATOM 0 HG2 PRO A 75 7.860 32.363 -2.894 1.00 0.00 H new ATOM 0 HG3 PRO A 75 9.141 31.372 -3.562 1.00 0.00 H new ATOM 0 HD2 PRO A 75 9.518 34.016 -3.080 1.00 0.00 H new ATOM 0 HD3 PRO A 75 10.306 33.223 -4.429 1.00 0.00 H new ATOM 1183 N PHE A 76 5.039 33.791 -5.834 1.00 0.00 N ATOM 1184 CA PHE A 76 3.675 34.242 -5.440 1.00 0.00 C ATOM 1185 C PHE A 76 2.896 33.091 -4.796 1.00 0.00 C ATOM 1186 O PHE A 76 3.102 31.933 -5.108 1.00 0.00 O ATOM 1187 CB PHE A 76 2.933 34.713 -6.691 1.00 0.00 C ATOM 1188 CG PHE A 76 3.572 35.980 -7.204 1.00 0.00 C ATOM 1189 CD1 PHE A 76 3.325 37.199 -6.561 1.00 0.00 C ATOM 1190 CD2 PHE A 76 4.415 35.937 -8.321 1.00 0.00 C ATOM 1191 CE1 PHE A 76 3.919 38.374 -7.035 1.00 0.00 C ATOM 1192 CE2 PHE A 76 5.010 37.112 -8.795 1.00 0.00 C ATOM 1193 CZ PHE A 76 4.762 38.330 -8.152 1.00 0.00 C ATOM 0 H PHE A 76 5.107 33.395 -6.772 1.00 0.00 H new ATOM 0 HA PHE A 76 3.760 35.055 -4.719 1.00 0.00 H new ATOM 0 HB2 PHE A 76 2.964 33.940 -7.459 1.00 0.00 H new ATOM 0 HB3 PHE A 76 1.883 34.890 -6.460 1.00 0.00 H new ATOM 0 HD1 PHE A 76 2.676 37.232 -5.699 1.00 0.00 H new ATOM 0 HD2 PHE A 76 4.606 34.997 -8.817 1.00 0.00 H new ATOM 0 HE1 PHE A 76 3.727 39.314 -6.539 1.00 0.00 H new ATOM 0 HE2 PHE A 76 5.660 37.079 -9.657 1.00 0.00 H new ATOM 0 HZ PHE A 76 5.221 39.237 -8.518 1.00 0.00 H new ATOM 1203 N ASN A 77 1.990 33.408 -3.908 1.00 0.00 N ATOM 1204 CA ASN A 77 1.178 32.344 -3.250 1.00 0.00 C ATOM 1205 C ASN A 77 -0.271 32.454 -3.735 1.00 0.00 C ATOM 1206 O ASN A 77 -0.785 33.539 -3.927 1.00 0.00 O ATOM 1207 CB ASN A 77 1.223 32.532 -1.732 1.00 0.00 C ATOM 1208 CG ASN A 77 2.674 32.702 -1.281 1.00 0.00 C ATOM 1209 OD1 ASN A 77 3.397 31.734 -1.144 1.00 0.00 O ATOM 1210 ND2 ASN A 77 3.134 33.900 -1.042 1.00 0.00 N ATOM 0 H ASN A 77 1.778 34.360 -3.610 1.00 0.00 H new ATOM 0 HA ASN A 77 1.580 31.363 -3.503 1.00 0.00 H new ATOM 0 HB2 ASN A 77 0.638 33.406 -1.446 1.00 0.00 H new ATOM 0 HB3 ASN A 77 0.775 31.671 -1.235 1.00 0.00 H new ATOM 0 HD21 ASN A 77 4.100 34.024 -0.740 1.00 0.00 H new ATOM 0 HD22 ASN A 77 2.527 34.712 -1.157 1.00 0.00 H new ATOM 1217 N PHE A 78 -0.937 31.350 -3.942 1.00 0.00 N ATOM 1218 CA PHE A 78 -2.349 31.418 -4.422 1.00 0.00 C ATOM 1219 C PHE A 78 -3.218 30.425 -3.643 1.00 0.00 C ATOM 1220 O PHE A 78 -2.907 29.254 -3.555 1.00 0.00 O ATOM 1221 CB PHE A 78 -2.399 31.062 -5.907 1.00 0.00 C ATOM 1222 CG PHE A 78 -1.503 31.996 -6.685 1.00 0.00 C ATOM 1223 CD1 PHE A 78 -0.116 31.813 -6.664 1.00 0.00 C ATOM 1224 CD2 PHE A 78 -2.062 33.042 -7.429 1.00 0.00 C ATOM 1225 CE1 PHE A 78 0.714 32.677 -7.388 1.00 0.00 C ATOM 1226 CE2 PHE A 78 -1.232 33.905 -8.154 1.00 0.00 C ATOM 1227 CZ PHE A 78 0.156 33.723 -8.133 1.00 0.00 C ATOM 0 H PHE A 78 -0.568 30.409 -3.801 1.00 0.00 H new ATOM 0 HA PHE A 78 -2.726 32.429 -4.267 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -2.080 30.030 -6.054 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -3.423 31.135 -6.274 1.00 0.00 H new ATOM 0 HD1 PHE A 78 0.314 31.006 -6.090 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -3.133 33.183 -7.444 1.00 0.00 H new ATOM 0 HE1 PHE A 78 1.785 32.537 -7.372 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -1.662 34.711 -8.730 1.00 0.00 H new ATOM 0 HZ PHE A 78 0.796 34.390 -8.692 1.00 0.00 H new ATOM 1237 N ARG A 79 -4.317 30.876 -3.094 1.00 0.00 N ATOM 1238 CA ARG A 79 -5.207 29.944 -2.345 1.00 0.00 C ATOM 1239 C ARG A 79 -6.477 29.715 -3.166 1.00 0.00 C ATOM 1240 O ARG A 79 -6.968 30.608 -3.828 1.00 0.00 O ATOM 1241 CB ARG A 79 -5.566 30.539 -0.982 1.00 0.00 C ATOM 1242 CG ARG A 79 -5.873 29.410 0.002 1.00 0.00 C ATOM 1243 CD ARG A 79 -6.496 29.996 1.271 1.00 0.00 C ATOM 1244 NE ARG A 79 -6.759 28.899 2.245 1.00 0.00 N ATOM 1245 CZ ARG A 79 -6.575 29.102 3.521 1.00 0.00 C ATOM 1246 NH1 ARG A 79 -5.400 29.451 3.964 1.00 0.00 N ATOM 1247 NH2 ARG A 79 -7.570 28.954 4.353 1.00 0.00 N ATOM 0 H ARG A 79 -4.634 31.845 -3.133 1.00 0.00 H new ATOM 0 HA ARG A 79 -4.694 28.996 -2.182 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -4.741 31.146 -0.610 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -6.429 31.198 -1.077 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -6.555 28.692 -0.453 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -4.959 28.869 0.249 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -5.826 30.735 1.711 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -7.425 30.512 1.028 1.00 0.00 H new ATOM 0 HE ARG A 79 -7.083 27.990 1.914 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -4.623 29.566 3.313 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -5.257 29.609 4.961 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -8.489 28.680 4.005 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -7.428 29.112 5.351 1.00 0.00 H new ATOM 1261 N PHE A 80 -6.992 28.514 -3.161 1.00 0.00 N ATOM 1262 CA PHE A 80 -8.205 28.224 -3.978 1.00 0.00 C ATOM 1263 C PHE A 80 -9.339 27.671 -3.116 1.00 0.00 C ATOM 1264 O PHE A 80 -9.123 26.908 -2.198 1.00 0.00 O ATOM 1265 CB PHE A 80 -7.841 27.178 -5.026 1.00 0.00 C ATOM 1266 CG PHE A 80 -7.167 27.858 -6.189 1.00 0.00 C ATOM 1267 CD1 PHE A 80 -5.981 28.570 -5.984 1.00 0.00 C ATOM 1268 CD2 PHE A 80 -7.727 27.780 -7.468 1.00 0.00 C ATOM 1269 CE1 PHE A 80 -5.353 29.207 -7.059 1.00 0.00 C ATOM 1270 CE2 PHE A 80 -7.099 28.417 -8.544 1.00 0.00 C ATOM 1271 CZ PHE A 80 -5.911 29.130 -8.339 1.00 0.00 C ATOM 0 H PHE A 80 -6.626 27.725 -2.629 1.00 0.00 H new ATOM 0 HA PHE A 80 -8.542 29.152 -4.440 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -7.179 26.428 -4.594 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -8.737 26.656 -5.363 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -5.550 28.628 -4.995 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -8.643 27.229 -7.625 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -4.438 29.758 -6.901 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -7.530 28.359 -9.532 1.00 0.00 H new ATOM 0 HZ PHE A 80 -5.426 29.621 -9.170 1.00 0.00 H new ATOM 1281 N MET A 81 -10.552 28.035 -3.428 1.00 0.00 N ATOM 1282 CA MET A 81 -11.711 27.514 -2.651 1.00 0.00 C ATOM 1283 C MET A 81 -12.721 26.914 -3.631 1.00 0.00 C ATOM 1284 O MET A 81 -13.135 27.551 -4.580 1.00 0.00 O ATOM 1285 CB MET A 81 -12.361 28.644 -1.850 1.00 0.00 C ATOM 1286 CG MET A 81 -13.718 28.178 -1.322 1.00 0.00 C ATOM 1287 SD MET A 81 -14.517 29.535 -0.431 1.00 0.00 S ATOM 1288 CE MET A 81 -14.373 28.832 1.230 1.00 0.00 C ATOM 0 H MET A 81 -10.791 28.672 -4.188 1.00 0.00 H new ATOM 0 HA MET A 81 -11.374 26.750 -1.950 1.00 0.00 H new ATOM 0 HB2 MET A 81 -11.716 28.934 -1.021 1.00 0.00 H new ATOM 0 HB3 MET A 81 -12.487 29.525 -2.479 1.00 0.00 H new ATOM 0 HG2 MET A 81 -14.349 27.850 -2.148 1.00 0.00 H new ATOM 0 HG3 MET A 81 -13.588 27.321 -0.661 1.00 0.00 H new ATOM 0 HE1 MET A 81 -15.334 28.902 1.739 1.00 0.00 H new ATOM 0 HE2 MET A 81 -14.076 27.786 1.158 1.00 0.00 H new ATOM 0 HE3 MET A 81 -13.622 29.384 1.795 1.00 0.00 H new ATOM 1298 N SER A 82 -13.098 25.680 -3.426 1.00 0.00 N ATOM 1299 CA SER A 82 -14.051 25.029 -4.364 1.00 0.00 C ATOM 1300 C SER A 82 -15.477 25.517 -4.094 1.00 0.00 C ATOM 1301 O SER A 82 -15.858 25.749 -2.962 1.00 0.00 O ATOM 1302 CB SER A 82 -13.993 23.513 -4.171 1.00 0.00 C ATOM 1303 OG SER A 82 -14.710 23.157 -3.000 1.00 0.00 O ATOM 0 H SER A 82 -12.786 25.097 -2.649 1.00 0.00 H new ATOM 0 HA SER A 82 -13.774 25.286 -5.386 1.00 0.00 H new ATOM 0 HB2 SER A 82 -14.419 23.009 -5.038 1.00 0.00 H new ATOM 0 HB3 SER A 82 -12.957 23.186 -4.089 1.00 0.00 H new ATOM 0 HG SER A 82 -15.568 22.756 -3.251 1.00 0.00 H new ATOM 1309 N LYS A 83 -16.269 25.651 -5.120 1.00 0.00 N ATOM 1310 CA LYS A 83 -17.677 26.103 -4.920 1.00 0.00 C ATOM 1311 C LYS A 83 -18.304 25.286 -3.785 1.00 0.00 C ATOM 1312 O LYS A 83 -18.991 25.813 -2.932 1.00 0.00 O ATOM 1313 CB LYS A 83 -18.477 25.892 -6.207 1.00 0.00 C ATOM 1314 CG LYS A 83 -17.954 26.829 -7.296 1.00 0.00 C ATOM 1315 CD LYS A 83 -18.981 26.918 -8.427 1.00 0.00 C ATOM 1316 CE LYS A 83 -18.507 27.933 -9.469 1.00 0.00 C ATOM 1317 NZ LYS A 83 -18.561 29.304 -8.887 1.00 0.00 N ATOM 0 H LYS A 83 -16.005 25.468 -6.088 1.00 0.00 H new ATOM 0 HA LYS A 83 -17.690 27.163 -4.665 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -18.393 24.856 -6.534 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -19.534 26.084 -6.025 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -17.768 27.819 -6.880 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -17.003 26.461 -7.682 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -19.113 25.940 -8.890 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -19.951 27.216 -8.029 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -17.490 27.700 -9.783 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -19.136 27.879 -10.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -19.019 29.950 -9.562 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -19.107 29.284 -8.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -17.595 29.636 -8.691 1.00 0.00 H new ATOM 1331 N GLY A 84 -18.071 24.002 -3.773 1.00 0.00 N ATOM 1332 CA GLY A 84 -18.648 23.139 -2.699 1.00 0.00 C ATOM 1333 C GLY A 84 -18.202 23.640 -1.319 1.00 0.00 C ATOM 1334 O GLY A 84 -18.606 23.116 -0.301 1.00 0.00 O ATOM 0 H GLY A 84 -17.504 23.510 -4.463 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -19.736 23.146 -2.762 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -18.327 22.107 -2.840 1.00 0.00 H new ATOM 1338 N GLY A 85 -17.383 24.655 -1.276 1.00 0.00 N ATOM 1339 CA GLY A 85 -16.929 25.189 0.040 1.00 0.00 C ATOM 1340 C GLY A 85 -15.606 24.532 0.439 1.00 0.00 C ATOM 1341 O GLY A 85 -15.261 24.473 1.602 1.00 0.00 O ATOM 0 H GLY A 85 -17.009 25.137 -2.093 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -16.805 26.270 -0.020 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -17.685 24.996 0.801 1.00 0.00 H new ATOM 1345 N MET A 86 -14.857 24.047 -0.511 1.00 0.00 N ATOM 1346 CA MET A 86 -13.554 23.407 -0.170 1.00 0.00 C ATOM 1347 C MET A 86 -12.436 24.422 -0.398 1.00 0.00 C ATOM 1348 O MET A 86 -12.539 25.279 -1.246 1.00 0.00 O ATOM 1349 CB MET A 86 -13.327 22.183 -1.063 1.00 0.00 C ATOM 1350 CG MET A 86 -14.624 21.376 -1.164 1.00 0.00 C ATOM 1351 SD MET A 86 -14.474 19.865 -0.179 1.00 0.00 S ATOM 1352 CE MET A 86 -12.970 19.234 -0.963 1.00 0.00 C ATOM 0 H MET A 86 -15.088 24.065 -1.504 1.00 0.00 H new ATOM 0 HA MET A 86 -13.561 23.087 0.872 1.00 0.00 H new ATOM 0 HB2 MET A 86 -13.004 22.498 -2.055 1.00 0.00 H new ATOM 0 HB3 MET A 86 -12.531 21.562 -0.652 1.00 0.00 H new ATOM 0 HG2 MET A 86 -15.464 21.972 -0.809 1.00 0.00 H new ATOM 0 HG3 MET A 86 -14.829 21.125 -2.205 1.00 0.00 H new ATOM 0 HE1 MET A 86 -13.072 18.163 -1.137 1.00 0.00 H new ATOM 0 HE2 MET A 86 -12.814 19.743 -1.914 1.00 0.00 H new ATOM 0 HE3 MET A 86 -12.116 19.415 -0.310 1.00 0.00 H new ATOM 1362 N ARG A 87 -11.378 24.360 0.364 1.00 0.00 N ATOM 1363 CA ARG A 87 -10.287 25.357 0.175 1.00 0.00 C ATOM 1364 C ARG A 87 -8.942 24.653 -0.016 1.00 0.00 C ATOM 1365 O ARG A 87 -8.652 23.655 0.614 1.00 0.00 O ATOM 1366 CB ARG A 87 -10.213 26.262 1.405 1.00 0.00 C ATOM 1367 CG ARG A 87 -11.457 27.150 1.460 1.00 0.00 C ATOM 1368 CD ARG A 87 -11.329 28.134 2.625 1.00 0.00 C ATOM 1369 NE ARG A 87 -10.812 27.417 3.825 1.00 0.00 N ATOM 1370 CZ ARG A 87 -11.639 26.791 4.617 1.00 0.00 C ATOM 1371 NH1 ARG A 87 -12.079 25.605 4.296 1.00 0.00 N ATOM 1372 NH2 ARG A 87 -12.026 27.351 5.731 1.00 0.00 N ATOM 0 H ARG A 87 -11.223 23.671 1.100 1.00 0.00 H new ATOM 0 HA ARG A 87 -10.502 25.949 -0.714 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -10.144 25.659 2.310 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -9.315 26.878 1.363 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -11.571 27.693 0.522 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -12.350 26.537 1.584 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -10.655 28.948 2.356 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -12.298 28.582 2.845 1.00 0.00 H new ATOM 0 HE ARG A 87 -9.812 27.416 4.027 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -11.776 25.167 3.426 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -12.725 25.116 4.915 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -11.682 28.278 5.982 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -12.672 26.862 6.350 1.00 0.00 H new ATOM 1386 N ASN A 88 -8.112 25.187 -0.871 1.00 0.00 N ATOM 1387 CA ASN A 88 -6.771 24.584 -1.102 1.00 0.00 C ATOM 1388 C ASN A 88 -5.742 25.713 -1.166 1.00 0.00 C ATOM 1389 O ASN A 88 -6.004 26.770 -1.704 1.00 0.00 O ATOM 1390 CB ASN A 88 -6.773 23.805 -2.418 1.00 0.00 C ATOM 1391 CG ASN A 88 -7.639 22.554 -2.267 1.00 0.00 C ATOM 1392 OD1 ASN A 88 -8.788 22.639 -1.881 1.00 0.00 O ATOM 1393 ND2 ASN A 88 -7.133 21.385 -2.554 1.00 0.00 N ATOM 0 H ASN A 88 -8.309 26.022 -1.423 1.00 0.00 H new ATOM 0 HA ASN A 88 -6.523 23.897 -0.293 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -7.157 24.431 -3.223 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -5.755 23.525 -2.689 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -7.702 20.544 -2.454 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -6.169 21.312 -2.878 1.00 0.00 H new ATOM 1400 N VAL A 89 -4.579 25.513 -0.613 1.00 0.00 N ATOM 1401 CA VAL A 89 -3.556 26.596 -0.642 1.00 0.00 C ATOM 1402 C VAL A 89 -2.289 26.104 -1.340 1.00 0.00 C ATOM 1403 O VAL A 89 -1.819 25.008 -1.100 1.00 0.00 O ATOM 1404 CB VAL A 89 -3.217 27.013 0.790 1.00 0.00 C ATOM 1405 CG1 VAL A 89 -2.552 28.391 0.777 1.00 0.00 C ATOM 1406 CG2 VAL A 89 -4.500 27.075 1.622 1.00 0.00 C ATOM 0 H VAL A 89 -4.293 24.653 -0.145 1.00 0.00 H new ATOM 0 HA VAL A 89 -3.956 27.449 -1.190 1.00 0.00 H new ATOM 0 HB VAL A 89 -2.535 26.284 1.227 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -2.310 28.688 1.798 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -1.637 28.348 0.185 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -3.234 29.120 0.339 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -4.258 27.372 2.642 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -5.183 27.803 1.184 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -4.974 26.094 1.633 1.00 0.00 H new ATOM 1416 N PHE A 90 -1.725 26.914 -2.192 1.00 0.00 N ATOM 1417 CA PHE A 90 -0.479 26.508 -2.897 1.00 0.00 C ATOM 1418 C PHE A 90 0.596 27.564 -2.646 1.00 0.00 C ATOM 1419 O PHE A 90 0.416 28.730 -2.941 1.00 0.00 O ATOM 1420 CB PHE A 90 -0.743 26.398 -4.400 1.00 0.00 C ATOM 1421 CG PHE A 90 -1.905 25.465 -4.646 1.00 0.00 C ATOM 1422 CD1 PHE A 90 -1.705 24.078 -4.649 1.00 0.00 C ATOM 1423 CD2 PHE A 90 -3.183 25.988 -4.876 1.00 0.00 C ATOM 1424 CE1 PHE A 90 -2.784 23.217 -4.882 1.00 0.00 C ATOM 1425 CE2 PHE A 90 -4.261 25.126 -5.108 1.00 0.00 C ATOM 1426 CZ PHE A 90 -4.061 23.740 -5.112 1.00 0.00 C ATOM 0 H PHE A 90 -2.075 27.842 -2.431 1.00 0.00 H new ATOM 0 HA PHE A 90 -0.147 25.540 -2.523 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -0.961 27.383 -4.814 1.00 0.00 H new ATOM 0 HB3 PHE A 90 0.147 26.028 -4.909 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -0.719 23.674 -4.472 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -3.337 27.057 -4.874 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -2.630 22.148 -4.884 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -5.247 25.530 -5.284 1.00 0.00 H new ATOM 0 HZ PHE A 90 -4.893 23.075 -5.293 1.00 0.00 H new ATOM 1436 N ASP A 91 1.710 27.170 -2.097 1.00 0.00 N ATOM 1437 CA ASP A 91 2.790 28.157 -1.823 1.00 0.00 C ATOM 1438 C ASP A 91 3.854 28.072 -2.918 1.00 0.00 C ATOM 1439 O ASP A 91 4.106 27.024 -3.478 1.00 0.00 O ATOM 1440 CB ASP A 91 3.427 27.850 -0.466 1.00 0.00 C ATOM 1441 CG ASP A 91 2.372 27.985 0.634 1.00 0.00 C ATOM 1442 OD1 ASP A 91 1.322 28.540 0.356 1.00 0.00 O ATOM 1443 OD2 ASP A 91 2.633 27.533 1.737 1.00 0.00 O ATOM 0 H ASP A 91 1.919 26.209 -1.827 1.00 0.00 H new ATOM 0 HA ASP A 91 2.368 29.162 -1.808 1.00 0.00 H new ATOM 0 HB2 ASP A 91 3.841 26.842 -0.466 1.00 0.00 H new ATOM 0 HB3 ASP A 91 4.254 28.534 -0.277 1.00 0.00 H new ATOM 1448 N GLU A 92 4.487 29.172 -3.219 1.00 0.00 N ATOM 1449 CA GLU A 92 5.544 29.166 -4.266 1.00 0.00 C ATOM 1450 C GLU A 92 5.002 28.560 -5.564 1.00 0.00 C ATOM 1451 O GLU A 92 5.598 27.665 -6.130 1.00 0.00 O ATOM 1452 CB GLU A 92 6.732 28.335 -3.781 1.00 0.00 C ATOM 1453 CG GLU A 92 7.503 29.119 -2.717 1.00 0.00 C ATOM 1454 CD GLU A 92 8.754 28.336 -2.313 1.00 0.00 C ATOM 1455 OE1 GLU A 92 9.005 27.307 -2.919 1.00 0.00 O ATOM 1456 OE2 GLU A 92 9.439 28.778 -1.406 1.00 0.00 O ATOM 0 H GLU A 92 4.316 30.078 -2.782 1.00 0.00 H new ATOM 0 HA GLU A 92 5.859 30.192 -4.456 1.00 0.00 H new ATOM 0 HB2 GLU A 92 6.383 27.388 -3.369 1.00 0.00 H new ATOM 0 HB3 GLU A 92 7.388 28.096 -4.618 1.00 0.00 H new ATOM 0 HG2 GLU A 92 7.783 30.099 -3.104 1.00 0.00 H new ATOM 0 HG3 GLU A 92 6.870 29.289 -1.846 1.00 0.00 H new ATOM 1463 N VAL A 93 3.887 29.035 -6.051 1.00 0.00 N ATOM 1464 CA VAL A 93 3.336 28.472 -7.317 1.00 0.00 C ATOM 1465 C VAL A 93 4.009 29.159 -8.508 1.00 0.00 C ATOM 1466 O VAL A 93 4.241 28.554 -9.536 1.00 0.00 O ATOM 1467 CB VAL A 93 1.828 28.717 -7.374 1.00 0.00 C ATOM 1468 CG1 VAL A 93 1.280 28.223 -8.714 1.00 0.00 C ATOM 1469 CG2 VAL A 93 1.144 27.961 -6.233 1.00 0.00 C ATOM 0 H VAL A 93 3.337 29.784 -5.630 1.00 0.00 H new ATOM 0 HA VAL A 93 3.529 27.400 -7.354 1.00 0.00 H new ATOM 0 HB VAL A 93 1.630 29.784 -7.272 1.00 0.00 H new ATOM 0 HG11 VAL A 93 0.205 28.398 -8.754 1.00 0.00 H new ATOM 0 HG12 VAL A 93 1.766 28.762 -9.527 1.00 0.00 H new ATOM 0 HG13 VAL A 93 1.478 27.156 -8.817 1.00 0.00 H new ATOM 0 HG21 VAL A 93 0.069 28.136 -6.274 1.00 0.00 H new ATOM 0 HG22 VAL A 93 1.342 26.894 -6.333 1.00 0.00 H new ATOM 0 HG23 VAL A 93 1.533 28.314 -5.278 1.00 0.00 H new ATOM 1479 N ILE A 94 4.327 30.417 -8.375 1.00 0.00 N ATOM 1480 CA ILE A 94 4.989 31.144 -9.496 1.00 0.00 C ATOM 1481 C ILE A 94 6.112 32.018 -8.933 1.00 0.00 C ATOM 1482 O ILE A 94 5.897 32.820 -8.046 1.00 0.00 O ATOM 1483 CB ILE A 94 3.962 32.023 -10.212 1.00 0.00 C ATOM 1484 CG1 ILE A 94 3.039 31.145 -11.061 1.00 0.00 C ATOM 1485 CG2 ILE A 94 4.686 33.023 -11.116 1.00 0.00 C ATOM 1486 CD1 ILE A 94 1.713 31.873 -11.292 1.00 0.00 C ATOM 0 H ILE A 94 4.157 30.974 -7.538 1.00 0.00 H new ATOM 0 HA ILE A 94 5.404 30.428 -10.205 1.00 0.00 H new ATOM 0 HB ILE A 94 3.371 32.563 -9.473 1.00 0.00 H new ATOM 0 HG12 ILE A 94 3.513 30.918 -12.016 1.00 0.00 H new ATOM 0 HG13 ILE A 94 2.861 30.194 -10.559 1.00 0.00 H new ATOM 0 HG21 ILE A 94 3.954 33.649 -11.626 1.00 0.00 H new ATOM 0 HG22 ILE A 94 5.342 33.650 -10.513 1.00 0.00 H new ATOM 0 HG23 ILE A 94 5.279 32.483 -11.854 1.00 0.00 H new ATOM 0 HD11 ILE A 94 1.055 31.248 -11.896 1.00 0.00 H new ATOM 0 HD12 ILE A 94 1.238 32.077 -10.332 1.00 0.00 H new ATOM 0 HD13 ILE A 94 1.900 32.813 -11.812 1.00 0.00 H new ATOM 1498 N PRO A 95 7.335 31.851 -9.458 1.00 0.00 N ATOM 1499 CA PRO A 95 8.501 32.620 -9.006 1.00 0.00 C ATOM 1500 C PRO A 95 8.412 34.093 -9.414 1.00 0.00 C ATOM 1501 O PRO A 95 7.641 34.466 -10.276 1.00 0.00 O ATOM 1502 CB PRO A 95 9.674 31.946 -9.717 1.00 0.00 C ATOM 1503 CG PRO A 95 9.068 31.315 -10.925 1.00 0.00 C ATOM 1504 CD PRO A 95 7.677 30.903 -10.532 1.00 0.00 C ATOM 0 HA PRO A 95 8.590 32.623 -7.920 1.00 0.00 H new ATOM 0 HB2 PRO A 95 10.441 32.670 -9.991 1.00 0.00 H new ATOM 0 HB3 PRO A 95 10.151 31.203 -9.078 1.00 0.00 H new ATOM 0 HG2 PRO A 95 9.045 32.016 -11.760 1.00 0.00 H new ATOM 0 HG3 PRO A 95 9.652 30.453 -11.248 1.00 0.00 H new ATOM 0 HD2 PRO A 95 6.984 30.977 -11.370 1.00 0.00 H new ATOM 0 HD3 PRO A 95 7.646 29.871 -10.183 1.00 0.00 H new ATOM 1512 N THR A 96 9.196 34.932 -8.793 1.00 0.00 N ATOM 1513 CA THR A 96 9.163 36.383 -9.130 1.00 0.00 C ATOM 1514 C THR A 96 9.376 36.574 -10.633 1.00 0.00 C ATOM 1515 O THR A 96 8.696 37.355 -11.269 1.00 0.00 O ATOM 1516 CB THR A 96 10.270 37.108 -8.362 1.00 0.00 C ATOM 1517 OG1 THR A 96 10.155 36.810 -6.977 1.00 0.00 O ATOM 1518 CG2 THR A 96 10.138 38.617 -8.574 1.00 0.00 C ATOM 0 H THR A 96 9.861 34.673 -8.064 1.00 0.00 H new ATOM 0 HA THR A 96 8.193 36.794 -8.851 1.00 0.00 H new ATOM 0 HB THR A 96 11.243 36.777 -8.726 1.00 0.00 H new ATOM 0 HG1 THR A 96 10.909 36.250 -6.699 1.00 0.00 H new ATOM 0 HG21 THR A 96 10.927 39.132 -8.026 1.00 0.00 H new ATOM 0 HG22 THR A 96 10.226 38.844 -9.636 1.00 0.00 H new ATOM 0 HG23 THR A 96 9.166 38.952 -8.211 1.00 0.00 H new ATOM 1526 N ALA A 97 10.316 35.874 -11.210 1.00 0.00 N ATOM 1527 CA ALA A 97 10.561 36.033 -12.671 1.00 0.00 C ATOM 1528 C ALA A 97 9.629 35.100 -13.446 1.00 0.00 C ATOM 1529 O ALA A 97 9.885 33.919 -13.577 1.00 0.00 O ATOM 1530 CB ALA A 97 12.017 35.686 -12.989 1.00 0.00 C ATOM 0 H ALA A 97 10.921 35.203 -10.736 1.00 0.00 H new ATOM 0 HA ALA A 97 10.366 37.065 -12.962 1.00 0.00 H new ATOM 0 HB1 ALA A 97 12.194 35.803 -14.058 1.00 0.00 H new ATOM 0 HB2 ALA A 97 12.679 36.353 -12.437 1.00 0.00 H new ATOM 0 HB3 ALA A 97 12.217 34.654 -12.699 1.00 0.00 H new ATOM 1536 N PHE A 98 8.546 35.618 -13.957 1.00 0.00 N ATOM 1537 CA PHE A 98 7.595 34.760 -14.719 1.00 0.00 C ATOM 1538 C PHE A 98 7.684 35.089 -16.210 1.00 0.00 C ATOM 1539 O PHE A 98 7.923 36.216 -16.595 1.00 0.00 O ATOM 1540 CB PHE A 98 6.172 35.021 -14.227 1.00 0.00 C ATOM 1541 CG PHE A 98 5.871 36.498 -14.329 1.00 0.00 C ATOM 1542 CD1 PHE A 98 5.361 37.028 -15.520 1.00 0.00 C ATOM 1543 CD2 PHE A 98 6.105 37.338 -13.233 1.00 0.00 C ATOM 1544 CE1 PHE A 98 5.084 38.397 -15.615 1.00 0.00 C ATOM 1545 CE2 PHE A 98 5.829 38.707 -13.328 1.00 0.00 C ATOM 1546 CZ PHE A 98 5.319 39.236 -14.519 1.00 0.00 C ATOM 0 H PHE A 98 8.278 36.599 -13.880 1.00 0.00 H new ATOM 0 HA PHE A 98 7.851 33.712 -14.565 1.00 0.00 H new ATOM 0 HB2 PHE A 98 5.459 34.451 -14.822 1.00 0.00 H new ATOM 0 HB3 PHE A 98 6.065 34.687 -13.195 1.00 0.00 H new ATOM 0 HD1 PHE A 98 5.181 36.381 -16.366 1.00 0.00 H new ATOM 0 HD2 PHE A 98 6.499 36.929 -12.314 1.00 0.00 H new ATOM 0 HE1 PHE A 98 4.689 38.806 -16.533 1.00 0.00 H new ATOM 0 HE2 PHE A 98 6.010 39.355 -12.483 1.00 0.00 H new ATOM 0 HZ PHE A 98 5.107 40.292 -14.593 1.00 0.00 H new ATOM 1556 N SER A 99 7.488 34.112 -17.052 1.00 0.00 N ATOM 1557 CA SER A 99 7.555 34.366 -18.518 1.00 0.00 C ATOM 1558 C SER A 99 6.141 34.325 -19.100 1.00 0.00 C ATOM 1559 O SER A 99 5.206 33.899 -18.451 1.00 0.00 O ATOM 1560 CB SER A 99 8.414 33.290 -19.184 1.00 0.00 C ATOM 1561 OG SER A 99 9.739 33.361 -18.676 1.00 0.00 O ATOM 0 H SER A 99 7.284 33.148 -16.788 1.00 0.00 H new ATOM 0 HA SER A 99 7.998 35.345 -18.701 1.00 0.00 H new ATOM 0 HB2 SER A 99 7.992 32.303 -18.993 1.00 0.00 H new ATOM 0 HB3 SER A 99 8.419 33.431 -20.265 1.00 0.00 H new ATOM 0 HG SER A 99 10.290 32.671 -19.101 1.00 0.00 H new ATOM 1567 N ILE A 100 5.973 34.761 -20.317 1.00 0.00 N ATOM 1568 CA ILE A 100 4.613 34.739 -20.926 1.00 0.00 C ATOM 1569 C ILE A 100 4.522 33.584 -21.925 1.00 0.00 C ATOM 1570 O ILE A 100 5.426 33.350 -22.702 1.00 0.00 O ATOM 1571 CB ILE A 100 4.347 36.063 -21.646 1.00 0.00 C ATOM 1572 CG1 ILE A 100 4.399 37.214 -20.638 1.00 0.00 C ATOM 1573 CG2 ILE A 100 2.964 36.017 -22.299 1.00 0.00 C ATOM 1574 CD1 ILE A 100 3.199 37.120 -19.694 1.00 0.00 C ATOM 0 H ILE A 100 6.713 35.130 -20.914 1.00 0.00 H new ATOM 0 HA ILE A 100 3.868 34.602 -20.142 1.00 0.00 H new ATOM 0 HB ILE A 100 5.106 36.219 -22.412 1.00 0.00 H new ATOM 0 HG12 ILE A 100 5.327 37.171 -20.069 1.00 0.00 H new ATOM 0 HG13 ILE A 100 4.390 38.170 -21.161 1.00 0.00 H new ATOM 0 HG21 ILE A 100 2.773 36.959 -22.812 1.00 0.00 H new ATOM 0 HG22 ILE A 100 2.928 35.198 -23.018 1.00 0.00 H new ATOM 0 HG23 ILE A 100 2.205 35.861 -21.533 1.00 0.00 H new ATOM 0 HD11 ILE A 100 3.236 37.939 -18.976 1.00 0.00 H new ATOM 0 HD12 ILE A 100 2.276 37.184 -20.271 1.00 0.00 H new ATOM 0 HD13 ILE A 100 3.229 36.169 -19.161 1.00 0.00 H new ATOM 1586 N GLY A 101 3.436 32.860 -21.911 1.00 0.00 N ATOM 1587 CA GLY A 101 3.289 31.723 -22.860 1.00 0.00 C ATOM 1588 C GLY A 101 3.707 30.423 -22.172 1.00 0.00 C ATOM 1589 O GLY A 101 3.713 29.366 -22.772 1.00 0.00 O ATOM 0 H GLY A 101 2.645 33.008 -21.284 1.00 0.00 H new ATOM 0 HA2 GLY A 101 2.256 31.651 -23.199 1.00 0.00 H new ATOM 0 HA3 GLY A 101 3.904 31.892 -23.744 1.00 0.00 H new ATOM 1593 N LYS A 102 4.056 30.487 -20.915 1.00 0.00 N ATOM 1594 CA LYS A 102 4.468 29.247 -20.200 1.00 0.00 C ATOM 1595 C LYS A 102 3.472 28.961 -19.076 1.00 0.00 C ATOM 1596 O LYS A 102 2.980 29.865 -18.430 1.00 0.00 O ATOM 1597 CB LYS A 102 5.869 29.432 -19.612 1.00 0.00 C ATOM 1598 CG LYS A 102 6.447 28.068 -19.230 1.00 0.00 C ATOM 1599 CD LYS A 102 7.444 27.618 -20.300 1.00 0.00 C ATOM 1600 CE LYS A 102 8.274 26.449 -19.765 1.00 0.00 C ATOM 1601 NZ LYS A 102 8.776 25.634 -20.907 1.00 0.00 N ATOM 0 H LYS A 102 4.073 31.340 -20.356 1.00 0.00 H new ATOM 0 HA LYS A 102 4.482 28.410 -20.898 1.00 0.00 H new ATOM 0 HB2 LYS A 102 6.517 29.923 -20.338 1.00 0.00 H new ATOM 0 HB3 LYS A 102 5.825 30.078 -18.735 1.00 0.00 H new ATOM 0 HG2 LYS A 102 6.941 28.129 -18.260 1.00 0.00 H new ATOM 0 HG3 LYS A 102 5.645 27.336 -19.134 1.00 0.00 H new ATOM 0 HD2 LYS A 102 6.913 27.318 -21.203 1.00 0.00 H new ATOM 0 HD3 LYS A 102 8.097 28.446 -20.575 1.00 0.00 H new ATOM 0 HE2 LYS A 102 9.111 26.823 -19.175 1.00 0.00 H new ATOM 0 HE3 LYS A 102 7.668 25.832 -19.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 9.340 24.839 -20.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 7.970 25.266 -21.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 9.369 26.227 -21.523 1.00 0.00 H new ATOM 1615 N THR A 103 3.162 27.716 -18.837 1.00 0.00 N ATOM 1616 CA THR A 103 2.191 27.396 -17.754 1.00 0.00 C ATOM 1617 C THR A 103 2.904 27.486 -16.405 1.00 0.00 C ATOM 1618 O THR A 103 4.106 27.649 -16.347 1.00 0.00 O ATOM 1619 CB THR A 103 1.654 25.977 -17.954 1.00 0.00 C ATOM 1620 OG1 THR A 103 1.231 25.818 -19.301 1.00 0.00 O ATOM 1621 CG2 THR A 103 0.473 25.738 -17.013 1.00 0.00 C ATOM 0 H THR A 103 3.536 26.912 -19.341 1.00 0.00 H new ATOM 0 HA THR A 103 1.361 28.102 -17.781 1.00 0.00 H new ATOM 0 HB THR A 103 2.441 25.256 -17.733 1.00 0.00 H new ATOM 0 HG1 THR A 103 0.888 24.909 -19.431 1.00 0.00 H new ATOM 0 HG21 THR A 103 0.092 24.727 -17.157 1.00 0.00 H new ATOM 0 HG22 THR A 103 0.800 25.859 -15.980 1.00 0.00 H new ATOM 0 HG23 THR A 103 -0.316 26.458 -17.230 1.00 0.00 H new ATOM 1629 N TYR A 104 2.194 27.366 -15.318 1.00 0.00 N ATOM 1630 CA TYR A 104 2.862 27.431 -13.991 1.00 0.00 C ATOM 1631 C TYR A 104 1.996 26.701 -12.967 1.00 0.00 C ATOM 1632 O TYR A 104 0.962 27.188 -12.553 1.00 0.00 O ATOM 1633 CB TYR A 104 3.039 28.892 -13.577 1.00 0.00 C ATOM 1634 CG TYR A 104 4.268 29.450 -14.252 1.00 0.00 C ATOM 1635 CD1 TYR A 104 5.540 29.117 -13.774 1.00 0.00 C ATOM 1636 CD2 TYR A 104 4.135 30.296 -15.360 1.00 0.00 C ATOM 1637 CE1 TYR A 104 6.682 29.630 -14.403 1.00 0.00 C ATOM 1638 CE2 TYR A 104 5.275 30.809 -15.989 1.00 0.00 C ATOM 1639 CZ TYR A 104 6.549 30.477 -15.511 1.00 0.00 C ATOM 1640 OH TYR A 104 7.673 30.983 -16.131 1.00 0.00 O ATOM 0 H TYR A 104 1.184 27.226 -15.292 1.00 0.00 H new ATOM 0 HA TYR A 104 3.843 26.959 -14.044 1.00 0.00 H new ATOM 0 HB2 TYR A 104 2.160 29.472 -13.858 1.00 0.00 H new ATOM 0 HB3 TYR A 104 3.138 28.967 -12.494 1.00 0.00 H new ATOM 0 HD1 TYR A 104 5.642 28.464 -12.920 1.00 0.00 H new ATOM 0 HD2 TYR A 104 3.153 30.552 -15.729 1.00 0.00 H new ATOM 0 HE1 TYR A 104 7.664 29.373 -14.034 1.00 0.00 H new ATOM 0 HE2 TYR A 104 5.172 31.461 -16.844 1.00 0.00 H new ATOM 0 HH TYR A 104 7.486 31.125 -17.082 1.00 0.00 H new ATOM 1650 N LYS A 105 2.401 25.530 -12.561 1.00 0.00 N ATOM 1651 CA LYS A 105 1.590 24.765 -11.572 1.00 0.00 C ATOM 1652 C LYS A 105 2.241 24.854 -10.192 1.00 0.00 C ATOM 1653 O LYS A 105 3.422 25.107 -10.066 1.00 0.00 O ATOM 1654 CB LYS A 105 1.498 23.296 -12.002 1.00 0.00 C ATOM 1655 CG LYS A 105 2.672 22.948 -12.920 1.00 0.00 C ATOM 1656 CD LYS A 105 2.588 21.472 -13.318 1.00 0.00 C ATOM 1657 CE LYS A 105 2.825 20.597 -12.085 1.00 0.00 C ATOM 1658 NZ LYS A 105 2.588 19.168 -12.436 1.00 0.00 N ATOM 0 H LYS A 105 3.257 25.070 -12.870 1.00 0.00 H new ATOM 0 HA LYS A 105 0.588 25.191 -11.527 1.00 0.00 H new ATOM 0 HB2 LYS A 105 1.507 22.650 -11.124 1.00 0.00 H new ATOM 0 HB3 LYS A 105 0.555 23.118 -12.519 1.00 0.00 H new ATOM 0 HG2 LYS A 105 2.651 23.577 -13.810 1.00 0.00 H new ATOM 0 HG3 LYS A 105 3.616 23.146 -12.412 1.00 0.00 H new ATOM 0 HD2 LYS A 105 1.610 21.255 -13.748 1.00 0.00 H new ATOM 0 HD3 LYS A 105 3.330 21.248 -14.084 1.00 0.00 H new ATOM 0 HE2 LYS A 105 3.845 20.729 -11.723 1.00 0.00 H new ATOM 0 HE3 LYS A 105 2.158 20.900 -11.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 2.749 18.573 -11.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 1.608 19.049 -12.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 3.242 18.883 -13.193 1.00 0.00 H new ATOM 1672 N PRO A 106 1.443 24.641 -9.136 1.00 0.00 N ATOM 1673 CA PRO A 106 1.927 24.696 -7.751 1.00 0.00 C ATOM 1674 C PRO A 106 2.837 23.510 -7.421 1.00 0.00 C ATOM 1675 O PRO A 106 2.714 22.443 -7.989 1.00 0.00 O ATOM 1676 CB PRO A 106 0.647 24.621 -6.921 1.00 0.00 C ATOM 1677 CG PRO A 106 -0.335 23.925 -7.803 1.00 0.00 C ATOM 1678 CD PRO A 106 0.005 24.328 -9.211 1.00 0.00 C ATOM 0 HA PRO A 106 2.522 25.589 -7.560 1.00 0.00 H new ATOM 0 HB2 PRO A 106 0.807 24.070 -5.994 1.00 0.00 H new ATOM 0 HB3 PRO A 106 0.296 25.615 -6.644 1.00 0.00 H new ATOM 0 HG2 PRO A 106 -0.269 22.844 -7.681 1.00 0.00 H new ATOM 0 HG3 PRO A 106 -1.356 24.213 -7.552 1.00 0.00 H new ATOM 0 HD2 PRO A 106 -0.195 23.524 -9.919 1.00 0.00 H new ATOM 0 HD3 PRO A 106 -0.578 25.190 -9.535 1.00 0.00 H new