USER MOD reduce.3.24.130724 H: found=0, std=0, add=887, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 889 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 77 TYR OH : rot -43:sc= 0.326 USER MOD Set 1.2: A 120 ASN :FLIP amide:sc= 0.309 F(o=-0.24,f=0.64) USER MOD Set 1.3: A 124 GLN : amide:sc= 0 X(o=0.64,f=0.37) USER MOD Set 2.1: A 44 THR OG1 : rot -166:sc= 0.813 USER MOD Set 2.2: A 63 LYS NZ :NH3+ -156:sc= 2.21 (180deg=1.13) USER MOD Set 3.1: A 59 LYS NZ :NH3+ -162:sc= 2.1 (180deg=0.405) USER MOD Set 3.2: A 71 GLN : amide:sc= 0.79 K(o=2.9,f=-2.3) USER MOD Set 4.1: A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 4.2: A 57 TYR OH : rot 180:sc= 0 USER MOD Set 5.1: A 12 CYS SG : rot 180:sc= -0.106 USER MOD Set 5.2: A 122 SER OG : rot 74:sc= 1.22 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ -175:sc= 2.37 (180deg=2.33) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0.339 K(o=0.34,f=-7.6!) USER MOD Single : A 50 THR OG1 : rot -120:sc= -0.0625 USER MOD Single : A 51 SER OG : rot 27:sc= 0.169 USER MOD Single : A 54 LYS NZ :NH3+ -167:sc= 2.36 (180deg=2.03) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= 0.412 K(o=0.41,f=-0.2) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot 180:sc= -0.0653 USER MOD Single : A 88 SER OG : rot 180:sc= 0.833 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 103 SER OG : rot 27:sc= 0.881 USER MOD Single : A 111 THR OG1 : rot 180:sc= 0 USER MOD Single : A 126 HIS : +bothHN:sc= 1 K(o=1,f=-4.6!) USER MOD Single : A 128 LYS NZ :NH3+ 146:sc= 1.22 (180deg=0.758) USER MOD ----------------------------------------------------------------- ATOM 171 N GLU A 8 -4.883 8.622 14.319 1.00 0.00 N ATOM 172 CA GLU A 8 -5.243 7.501 13.452 1.00 0.00 C ATOM 173 C GLU A 8 -5.246 6.214 14.300 1.00 0.00 C ATOM 174 O GLU A 8 -4.364 5.988 15.133 1.00 0.00 O ATOM 175 CB GLU A 8 -4.303 7.386 12.237 1.00 0.00 C ATOM 176 CG GLU A 8 -2.801 7.334 12.558 1.00 0.00 C ATOM 177 CD GLU A 8 -2.157 8.727 12.703 1.00 0.00 C ATOM 178 OE1 GLU A 8 -1.831 9.145 13.841 1.00 0.00 O ATOM 179 OE2 GLU A 8 -1.885 9.372 11.660 1.00 0.00 O ATOM 0 HA GLU A 8 -6.238 7.668 13.039 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -4.568 6.487 11.680 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -4.486 8.235 11.578 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -2.654 6.776 13.483 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -2.287 6.785 11.769 1.00 0.00 H new ATOM 186 N SER A 9 -6.264 5.379 14.118 1.00 0.00 N ATOM 187 CA SER A 9 -6.479 4.141 14.877 1.00 0.00 C ATOM 188 C SER A 9 -5.950 2.925 14.114 1.00 0.00 C ATOM 189 O SER A 9 -6.240 2.787 12.931 1.00 0.00 O ATOM 190 CB SER A 9 -7.972 3.974 15.167 1.00 0.00 C ATOM 191 OG SER A 9 -8.406 4.961 16.092 1.00 0.00 O ATOM 0 H SER A 9 -6.987 5.546 13.418 1.00 0.00 H new ATOM 0 HA SER A 9 -5.930 4.210 15.816 1.00 0.00 H new ATOM 0 HB2 SER A 9 -8.541 4.058 14.241 1.00 0.00 H new ATOM 0 HB3 SER A 9 -8.163 2.979 15.570 1.00 0.00 H new ATOM 0 HG SER A 9 -9.363 4.845 16.269 1.00 0.00 H new ATOM 197 N VAL A 10 -5.181 2.027 14.742 1.00 0.00 N ATOM 198 CA VAL A 10 -4.600 0.864 14.034 1.00 0.00 C ATOM 199 C VAL A 10 -5.670 -0.146 13.589 1.00 0.00 C ATOM 200 O VAL A 10 -6.567 -0.503 14.356 1.00 0.00 O ATOM 201 CB VAL A 10 -3.433 0.221 14.814 1.00 0.00 C ATOM 202 CG1 VAL A 10 -3.846 -0.380 16.163 1.00 0.00 C ATOM 203 CG2 VAL A 10 -2.724 -0.861 13.987 1.00 0.00 C ATOM 0 H VAL A 10 -4.944 2.077 15.733 1.00 0.00 H new ATOM 0 HA VAL A 10 -4.159 1.246 13.113 1.00 0.00 H new ATOM 0 HB VAL A 10 -2.749 1.046 15.013 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -2.973 -0.813 16.651 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -4.266 0.402 16.796 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -4.593 -1.157 16.002 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -1.909 -1.289 14.571 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -3.435 -1.645 13.727 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -2.323 -0.418 13.075 1.00 0.00 H new ATOM 213 N LEU A 11 -5.558 -0.606 12.338 1.00 0.00 N ATOM 214 CA LEU A 11 -6.433 -1.604 11.709 1.00 0.00 C ATOM 215 C LEU A 11 -5.695 -2.917 11.411 1.00 0.00 C ATOM 216 O LEU A 11 -6.234 -3.993 11.670 1.00 0.00 O ATOM 217 CB LEU A 11 -7.010 -1.046 10.395 1.00 0.00 C ATOM 218 CG LEU A 11 -7.898 0.205 10.508 1.00 0.00 C ATOM 219 CD1 LEU A 11 -8.429 0.525 9.110 1.00 0.00 C ATOM 220 CD2 LEU A 11 -9.082 -0.003 11.455 1.00 0.00 C ATOM 0 H LEU A 11 -4.824 -0.280 11.709 1.00 0.00 H new ATOM 0 HA LEU A 11 -7.234 -1.817 12.416 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -6.179 -0.814 9.729 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -7.591 -1.834 9.917 1.00 0.00 H new ATOM 0 HG LEU A 11 -7.299 1.020 10.914 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -9.064 1.410 9.156 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -7.592 0.713 8.437 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -9.010 -0.320 8.739 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -9.677 0.909 11.499 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -9.701 -0.822 11.089 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -8.713 -0.244 12.452 1.00 0.00 H new ATOM 232 N CYS A 12 -4.475 -2.835 10.863 1.00 0.00 N ATOM 233 CA CYS A 12 -3.672 -4.001 10.486 1.00 0.00 C ATOM 234 C CYS A 12 -2.167 -3.752 10.646 1.00 0.00 C ATOM 235 O CYS A 12 -1.683 -2.634 10.473 1.00 0.00 O ATOM 236 CB CYS A 12 -4.042 -4.433 9.060 1.00 0.00 C ATOM 237 SG CYS A 12 -3.371 -6.077 8.674 1.00 0.00 S ATOM 0 H CYS A 12 -4.015 -1.946 10.668 1.00 0.00 H new ATOM 0 HA CYS A 12 -3.904 -4.817 11.170 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -5.126 -4.446 8.951 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -3.659 -3.704 8.346 1.00 0.00 H new ATOM 0 HG CYS A 12 -3.706 -6.409 7.463 1.00 0.00 H new ATOM 243 N VAL A 13 -1.423 -4.816 10.943 1.00 0.00 N ATOM 244 CA VAL A 13 0.043 -4.843 10.967 1.00 0.00 C ATOM 245 C VAL A 13 0.525 -6.168 10.361 1.00 0.00 C ATOM 246 O VAL A 13 0.038 -7.235 10.748 1.00 0.00 O ATOM 247 CB VAL A 13 0.567 -4.574 12.398 1.00 0.00 C ATOM 248 CG1 VAL A 13 0.227 -5.667 13.418 1.00 0.00 C ATOM 249 CG2 VAL A 13 2.076 -4.320 12.432 1.00 0.00 C ATOM 0 H VAL A 13 -1.837 -5.717 11.183 1.00 0.00 H new ATOM 0 HA VAL A 13 0.457 -4.042 10.354 1.00 0.00 H new ATOM 0 HB VAL A 13 0.034 -3.671 12.695 1.00 0.00 H new ATOM 0 HG11 VAL A 13 0.633 -5.395 14.392 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -0.855 -5.771 13.493 1.00 0.00 H new ATOM 0 HG13 VAL A 13 0.661 -6.613 13.096 1.00 0.00 H new ATOM 0 HG21 VAL A 13 2.391 -4.137 13.459 1.00 0.00 H new ATOM 0 HG22 VAL A 13 2.601 -5.192 12.041 1.00 0.00 H new ATOM 0 HG23 VAL A 13 2.312 -3.450 11.820 1.00 0.00 H new ATOM 259 N LYS A 14 1.452 -6.114 9.394 1.00 0.00 N ATOM 260 CA LYS A 14 2.080 -7.313 8.787 1.00 0.00 C ATOM 261 C LYS A 14 3.605 -7.379 9.009 1.00 0.00 C ATOM 262 O LYS A 14 4.265 -6.337 8.978 1.00 0.00 O ATOM 263 CB LYS A 14 1.688 -7.490 7.303 1.00 0.00 C ATOM 264 CG LYS A 14 0.256 -8.012 7.096 1.00 0.00 C ATOM 265 CD LYS A 14 0.089 -9.476 7.540 1.00 0.00 C ATOM 266 CE LYS A 14 -1.274 -9.994 7.080 1.00 0.00 C ATOM 267 NZ LYS A 14 -1.447 -11.447 7.337 1.00 0.00 N ATOM 0 H LYS A 14 1.794 -5.236 9.004 1.00 0.00 H new ATOM 0 HA LYS A 14 1.670 -8.169 9.323 1.00 0.00 H new ATOM 0 HB2 LYS A 14 1.793 -6.533 6.793 1.00 0.00 H new ATOM 0 HB3 LYS A 14 2.388 -8.180 6.832 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -0.439 -7.385 7.655 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -0.010 -7.923 6.043 1.00 0.00 H new ATOM 0 HD2 LYS A 14 0.885 -10.089 7.117 1.00 0.00 H new ATOM 0 HD3 LYS A 14 0.172 -9.550 8.624 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -2.061 -9.441 7.593 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -1.392 -9.800 6.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -2.350 -11.766 6.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -0.665 -11.973 6.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -1.447 -11.621 8.362 1.00 0.00 H new ATOM 281 N PRO A 15 4.162 -8.592 9.229 1.00 0.00 N ATOM 282 CA PRO A 15 5.511 -8.806 9.775 1.00 0.00 C ATOM 283 C PRO A 15 6.663 -8.625 8.773 1.00 0.00 C ATOM 284 O PRO A 15 7.804 -8.425 9.195 1.00 0.00 O ATOM 285 CB PRO A 15 5.485 -10.242 10.318 1.00 0.00 C ATOM 286 CG PRO A 15 4.494 -10.951 9.396 1.00 0.00 C ATOM 287 CD PRO A 15 3.454 -9.869 9.160 1.00 0.00 C ATOM 0 HA PRO A 15 5.719 -8.048 10.530 1.00 0.00 H new ATOM 0 HB2 PRO A 15 6.471 -10.704 10.279 1.00 0.00 H new ATOM 0 HB3 PRO A 15 5.159 -10.273 11.358 1.00 0.00 H new ATOM 0 HG2 PRO A 15 4.962 -11.277 8.467 1.00 0.00 H new ATOM 0 HG3 PRO A 15 4.063 -11.836 9.863 1.00 0.00 H new ATOM 0 HD2 PRO A 15 2.976 -9.996 8.189 1.00 0.00 H new ATOM 0 HD3 PRO A 15 2.666 -9.917 9.912 1.00 0.00 H new ATOM 295 N ASP A 16 6.382 -8.684 7.469 1.00 0.00 N ATOM 296 CA ASP A 16 7.339 -8.441 6.384 1.00 0.00 C ATOM 297 C ASP A 16 6.611 -7.913 5.133 1.00 0.00 C ATOM 298 O ASP A 16 5.549 -8.426 4.767 1.00 0.00 O ATOM 299 CB ASP A 16 8.094 -9.739 6.060 1.00 0.00 C ATOM 300 CG ASP A 16 9.187 -9.504 5.008 1.00 0.00 C ATOM 301 OD1 ASP A 16 8.918 -9.686 3.799 1.00 0.00 O ATOM 302 OD2 ASP A 16 10.316 -9.121 5.397 1.00 0.00 O ATOM 0 H ASP A 16 5.448 -8.910 7.126 1.00 0.00 H new ATOM 0 HA ASP A 16 8.056 -7.685 6.705 1.00 0.00 H new ATOM 0 HB2 ASP A 16 8.543 -10.138 6.970 1.00 0.00 H new ATOM 0 HB3 ASP A 16 7.392 -10.489 5.696 1.00 0.00 H new ATOM 307 N VAL A 17 7.172 -6.894 4.473 1.00 0.00 N ATOM 308 CA VAL A 17 6.652 -6.326 3.220 1.00 0.00 C ATOM 309 C VAL A 17 7.794 -5.693 2.421 1.00 0.00 C ATOM 310 O VAL A 17 8.699 -5.089 3.005 1.00 0.00 O ATOM 311 CB VAL A 17 5.508 -5.321 3.497 1.00 0.00 C ATOM 312 CG1 VAL A 17 5.954 -4.045 4.218 1.00 0.00 C ATOM 313 CG2 VAL A 17 4.782 -4.924 2.211 1.00 0.00 C ATOM 0 H VAL A 17 8.019 -6.430 4.801 1.00 0.00 H new ATOM 0 HA VAL A 17 6.225 -7.127 2.617 1.00 0.00 H new ATOM 0 HB VAL A 17 4.834 -5.859 4.164 1.00 0.00 H new ATOM 0 HG11 VAL A 17 5.093 -3.395 4.374 1.00 0.00 H new ATOM 0 HG12 VAL A 17 6.391 -4.306 5.182 1.00 0.00 H new ATOM 0 HG13 VAL A 17 6.696 -3.525 3.612 1.00 0.00 H new ATOM 0 HG21 VAL A 17 3.986 -4.218 2.446 1.00 0.00 H new ATOM 0 HG22 VAL A 17 5.488 -4.459 1.523 1.00 0.00 H new ATOM 0 HG23 VAL A 17 4.354 -5.812 1.746 1.00 0.00 H new ATOM 323 N SER A 18 7.753 -5.821 1.092 1.00 0.00 N ATOM 324 CA SER A 18 8.748 -5.247 0.173 1.00 0.00 C ATOM 325 C SER A 18 8.129 -4.199 -0.761 1.00 0.00 C ATOM 326 O SER A 18 6.975 -4.319 -1.174 1.00 0.00 O ATOM 327 CB SER A 18 9.441 -6.351 -0.632 1.00 0.00 C ATOM 328 OG SER A 18 9.984 -7.353 0.211 1.00 0.00 O ATOM 0 H SER A 18 7.014 -6.336 0.612 1.00 0.00 H new ATOM 0 HA SER A 18 9.496 -4.737 0.780 1.00 0.00 H new ATOM 0 HB2 SER A 18 8.726 -6.803 -1.320 1.00 0.00 H new ATOM 0 HB3 SER A 18 10.236 -5.915 -1.238 1.00 0.00 H new ATOM 0 HG SER A 18 10.417 -8.042 -0.336 1.00 0.00 H new ATOM 334 N VAL A 19 8.896 -3.163 -1.104 1.00 0.00 N ATOM 335 CA VAL A 19 8.453 -1.998 -1.887 1.00 0.00 C ATOM 336 C VAL A 19 9.279 -1.825 -3.158 1.00 0.00 C ATOM 337 O VAL A 19 10.502 -1.984 -3.175 1.00 0.00 O ATOM 338 CB VAL A 19 8.436 -0.722 -1.029 1.00 0.00 C ATOM 339 CG1 VAL A 19 8.249 0.556 -1.858 1.00 0.00 C ATOM 340 CG2 VAL A 19 7.287 -0.823 -0.019 1.00 0.00 C ATOM 0 H VAL A 19 9.879 -3.106 -0.837 1.00 0.00 H new ATOM 0 HA VAL A 19 7.427 -2.185 -2.204 1.00 0.00 H new ATOM 0 HB VAL A 19 9.405 -0.651 -0.534 1.00 0.00 H new ATOM 0 HG11 VAL A 19 8.245 1.422 -1.196 1.00 0.00 H new ATOM 0 HG12 VAL A 19 9.067 0.649 -2.573 1.00 0.00 H new ATOM 0 HG13 VAL A 19 7.302 0.506 -2.395 1.00 0.00 H new ATOM 0 HG21 VAL A 19 7.264 0.076 0.597 1.00 0.00 H new ATOM 0 HG22 VAL A 19 6.342 -0.923 -0.552 1.00 0.00 H new ATOM 0 HG23 VAL A 19 7.438 -1.695 0.618 1.00 0.00 H new ATOM 350 N TYR A 20 8.566 -1.458 -4.219 1.00 0.00 N ATOM 351 CA TYR A 20 9.020 -1.406 -5.601 1.00 0.00 C ATOM 352 C TYR A 20 8.526 -0.097 -6.247 1.00 0.00 C ATOM 353 O TYR A 20 7.459 -0.066 -6.852 1.00 0.00 O ATOM 354 CB TYR A 20 8.465 -2.646 -6.335 1.00 0.00 C ATOM 355 CG TYR A 20 8.754 -3.998 -5.697 1.00 0.00 C ATOM 356 CD1 TYR A 20 9.811 -4.797 -6.171 1.00 0.00 C ATOM 357 CD2 TYR A 20 7.935 -4.480 -4.653 1.00 0.00 C ATOM 358 CE1 TYR A 20 10.034 -6.070 -5.616 1.00 0.00 C ATOM 359 CE2 TYR A 20 8.186 -5.737 -4.071 1.00 0.00 C ATOM 360 CZ TYR A 20 9.232 -6.544 -4.562 1.00 0.00 C ATOM 361 OH TYR A 20 9.484 -7.770 -4.026 1.00 0.00 O ATOM 0 H TYR A 20 7.592 -1.170 -4.128 1.00 0.00 H new ATOM 0 HA TYR A 20 10.108 -1.418 -5.661 1.00 0.00 H new ATOM 0 HB2 TYR A 20 7.384 -2.535 -6.424 1.00 0.00 H new ATOM 0 HB3 TYR A 20 8.869 -2.653 -7.347 1.00 0.00 H new ATOM 0 HD1 TYR A 20 10.451 -4.433 -6.961 1.00 0.00 H new ATOM 0 HD2 TYR A 20 7.110 -3.880 -4.298 1.00 0.00 H new ATOM 0 HE1 TYR A 20 10.829 -6.690 -6.003 1.00 0.00 H new ATOM 0 HE2 TYR A 20 7.577 -6.083 -3.249 1.00 0.00 H new ATOM 0 HH TYR A 20 8.843 -7.951 -3.307 1.00 0.00 H new ATOM 371 N ARG A 21 9.248 1.020 -6.079 1.00 0.00 N ATOM 372 CA ARG A 21 8.910 2.331 -6.689 1.00 0.00 C ATOM 373 C ARG A 21 8.723 2.230 -8.216 1.00 0.00 C ATOM 374 O ARG A 21 9.497 1.537 -8.881 1.00 0.00 O ATOM 375 CB ARG A 21 9.972 3.400 -6.360 1.00 0.00 C ATOM 376 CG ARG A 21 10.447 3.407 -4.896 1.00 0.00 C ATOM 377 CD ARG A 21 11.282 4.657 -4.594 1.00 0.00 C ATOM 378 NE ARG A 21 12.126 4.445 -3.406 1.00 0.00 N ATOM 379 CZ ARG A 21 12.398 5.260 -2.410 1.00 0.00 C ATOM 380 NH1 ARG A 21 13.262 4.863 -1.527 1.00 0.00 N ATOM 381 NH2 ARG A 21 11.855 6.437 -2.275 1.00 0.00 N ATOM 0 H ARG A 21 10.094 1.048 -5.511 1.00 0.00 H new ATOM 0 HA ARG A 21 7.960 2.636 -6.251 1.00 0.00 H new ATOM 0 HB2 ARG A 21 10.836 3.246 -7.007 1.00 0.00 H new ATOM 0 HB3 ARG A 21 9.565 4.382 -6.600 1.00 0.00 H new ATOM 0 HG2 ARG A 21 9.585 3.372 -4.230 1.00 0.00 H new ATOM 0 HG3 ARG A 21 11.039 2.513 -4.698 1.00 0.00 H new ATOM 0 HD2 ARG A 21 11.908 4.898 -5.453 1.00 0.00 H new ATOM 0 HD3 ARG A 21 10.623 5.510 -4.431 1.00 0.00 H new ATOM 0 HE ARG A 21 12.566 3.527 -3.346 1.00 0.00 H new ATOM 0 HH11 ARG A 21 13.703 3.948 -1.620 1.00 0.00 H new ATOM 0 HH12 ARG A 21 13.500 5.466 -0.739 1.00 0.00 H new ATOM 0 HH21 ARG A 21 11.180 6.769 -2.964 1.00 0.00 H new ATOM 0 HH22 ARG A 21 12.105 7.026 -1.481 1.00 0.00 H new ATOM 395 N ILE A 22 7.716 2.920 -8.770 1.00 0.00 N ATOM 396 CA ILE A 22 7.253 2.727 -10.167 1.00 0.00 C ATOM 397 C ILE A 22 7.287 4.011 -11.029 1.00 0.00 C ATOM 398 O ILE A 22 6.908 5.078 -10.537 1.00 0.00 O ATOM 399 CB ILE A 22 5.848 2.077 -10.211 1.00 0.00 C ATOM 400 CG1 ILE A 22 4.737 3.013 -9.682 1.00 0.00 C ATOM 401 CG2 ILE A 22 5.872 0.740 -9.471 1.00 0.00 C ATOM 402 CD1 ILE A 22 3.394 2.334 -9.409 1.00 0.00 C ATOM 0 H ILE A 22 7.191 3.634 -8.265 1.00 0.00 H new ATOM 0 HA ILE A 22 7.976 2.046 -10.615 1.00 0.00 H new ATOM 0 HB ILE A 22 5.598 1.893 -11.256 1.00 0.00 H new ATOM 0 HG12 ILE A 22 5.085 3.480 -8.760 1.00 0.00 H new ATOM 0 HG13 ILE A 22 4.582 3.813 -10.406 1.00 0.00 H new ATOM 0 HG21 ILE A 22 4.881 0.287 -9.505 1.00 0.00 H new ATOM 0 HG22 ILE A 22 6.592 0.074 -9.947 1.00 0.00 H new ATOM 0 HG23 ILE A 22 6.160 0.904 -8.433 1.00 0.00 H new ATOM 0 HD11 ILE A 22 2.681 3.072 -9.042 1.00 0.00 H new ATOM 0 HD12 ILE A 22 3.016 1.892 -10.331 1.00 0.00 H new ATOM 0 HD13 ILE A 22 3.527 1.554 -8.660 1.00 0.00 H new ATOM 414 N PRO A 23 7.683 3.929 -12.320 1.00 0.00 N ATOM 415 CA PRO A 23 7.580 5.049 -13.259 1.00 0.00 C ATOM 416 C PRO A 23 6.189 5.342 -13.888 1.00 0.00 C ATOM 417 O PRO A 23 5.898 6.531 -14.066 1.00 0.00 O ATOM 418 CB PRO A 23 8.671 4.816 -14.309 1.00 0.00 C ATOM 419 CG PRO A 23 8.979 3.319 -14.259 1.00 0.00 C ATOM 420 CD PRO A 23 8.528 2.871 -12.868 1.00 0.00 C ATOM 0 HA PRO A 23 7.722 5.969 -12.692 1.00 0.00 H new ATOM 0 HB2 PRO A 23 8.330 5.113 -15.301 1.00 0.00 H new ATOM 0 HB3 PRO A 23 9.560 5.406 -14.088 1.00 0.00 H new ATOM 0 HG2 PRO A 23 8.444 2.779 -15.041 1.00 0.00 H new ATOM 0 HG3 PRO A 23 10.042 3.129 -14.410 1.00 0.00 H new ATOM 0 HD2 PRO A 23 7.977 1.932 -12.927 1.00 0.00 H new ATOM 0 HD3 PRO A 23 9.389 2.695 -12.223 1.00 0.00 H new ATOM 428 N PRO A 24 5.314 4.371 -14.244 1.00 0.00 N ATOM 429 CA PRO A 24 4.033 4.652 -14.911 1.00 0.00 C ATOM 430 C PRO A 24 2.927 5.135 -13.953 1.00 0.00 C ATOM 431 O PRO A 24 3.034 5.013 -12.730 1.00 0.00 O ATOM 432 CB PRO A 24 3.639 3.341 -15.602 1.00 0.00 C ATOM 433 CG PRO A 24 4.200 2.288 -14.652 1.00 0.00 C ATOM 434 CD PRO A 24 5.513 2.928 -14.210 1.00 0.00 C ATOM 0 HA PRO A 24 4.150 5.477 -15.614 1.00 0.00 H new ATOM 0 HB2 PRO A 24 2.559 3.251 -15.716 1.00 0.00 H new ATOM 0 HB3 PRO A 24 4.073 3.261 -16.599 1.00 0.00 H new ATOM 0 HG2 PRO A 24 3.533 2.101 -13.810 1.00 0.00 H new ATOM 0 HG3 PRO A 24 4.359 1.332 -15.151 1.00 0.00 H new ATOM 0 HD2 PRO A 24 5.784 2.599 -13.207 1.00 0.00 H new ATOM 0 HD3 PRO A 24 6.327 2.635 -14.872 1.00 0.00 H new ATOM 525 N GLY A 30 -4.400 -1.303 -15.570 1.00 0.00 N ATOM 526 CA GLY A 30 -3.979 -0.411 -14.491 1.00 0.00 C ATOM 527 C GLY A 30 -2.478 -0.119 -14.499 1.00 0.00 C ATOM 528 O GLY A 30 -2.024 0.704 -15.290 1.00 0.00 O ATOM 0 HA2 GLY A 30 -4.525 0.529 -14.572 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -4.250 -0.856 -13.534 1.00 0.00 H new ATOM 532 N TYR A 31 -1.709 -0.781 -13.631 1.00 0.00 N ATOM 533 CA TYR A 31 -0.261 -0.555 -13.461 1.00 0.00 C ATOM 534 C TYR A 31 0.630 -1.714 -13.905 1.00 0.00 C ATOM 535 O TYR A 31 1.767 -1.465 -14.297 1.00 0.00 O ATOM 536 CB TYR A 31 0.037 -0.284 -11.986 1.00 0.00 C ATOM 537 CG TYR A 31 -0.337 1.101 -11.530 1.00 0.00 C ATOM 538 CD1 TYR A 31 0.610 2.135 -11.653 1.00 0.00 C ATOM 539 CD2 TYR A 31 -1.599 1.338 -10.955 1.00 0.00 C ATOM 540 CE1 TYR A 31 0.298 3.420 -11.167 1.00 0.00 C ATOM 541 CE2 TYR A 31 -1.921 2.628 -10.496 1.00 0.00 C ATOM 542 CZ TYR A 31 -0.969 3.670 -10.587 1.00 0.00 C ATOM 543 OH TYR A 31 -1.271 4.902 -10.092 1.00 0.00 O ATOM 0 H TYR A 31 -2.077 -1.504 -13.012 1.00 0.00 H new ATOM 0 HA TYR A 31 -0.026 0.292 -14.106 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -0.499 -1.013 -11.378 1.00 0.00 H new ATOM 0 HB3 TYR A 31 1.101 -0.440 -11.806 1.00 0.00 H new ATOM 0 HD1 TYR A 31 1.567 1.945 -12.116 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -2.316 0.535 -10.867 1.00 0.00 H new ATOM 0 HE1 TYR A 31 1.026 4.215 -11.237 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -2.896 2.823 -10.074 1.00 0.00 H new ATOM 0 HH TYR A 31 -2.183 4.896 -9.733 1.00 0.00 H new ATOM 553 N ARG A 32 0.120 -2.947 -13.799 1.00 0.00 N ATOM 554 CA ARG A 32 0.778 -4.250 -13.957 1.00 0.00 C ATOM 555 C ARG A 32 2.193 -4.374 -13.362 1.00 0.00 C ATOM 556 O ARG A 32 3.155 -3.878 -13.939 1.00 0.00 O ATOM 557 CB ARG A 32 0.683 -4.795 -15.402 1.00 0.00 C ATOM 558 CG ARG A 32 -0.104 -4.036 -16.492 1.00 0.00 C ATOM 559 CD ARG A 32 0.685 -2.898 -17.155 1.00 0.00 C ATOM 560 NE ARG A 32 0.190 -2.600 -18.514 1.00 0.00 N ATOM 561 CZ ARG A 32 0.466 -3.238 -19.637 1.00 0.00 C ATOM 562 NH1 ARG A 32 -0.047 -2.813 -20.753 1.00 0.00 N ATOM 563 NH2 ARG A 32 1.232 -4.292 -19.683 1.00 0.00 N ATOM 0 H ARG A 32 -0.868 -3.069 -13.577 1.00 0.00 H new ATOM 0 HA ARG A 32 0.186 -4.908 -13.321 1.00 0.00 H new ATOM 0 HB2 ARG A 32 1.704 -4.909 -15.767 1.00 0.00 H new ATOM 0 HB3 ARG A 32 0.254 -5.795 -15.338 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -0.415 -4.744 -17.260 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -1.012 -3.625 -16.050 1.00 0.00 H new ATOM 0 HD2 ARG A 32 0.615 -2.001 -16.539 1.00 0.00 H new ATOM 0 HD3 ARG A 32 1.740 -3.169 -17.205 1.00 0.00 H new ATOM 0 HE ARG A 32 -0.443 -1.804 -18.595 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -0.656 -1.995 -20.755 1.00 0.00 H new ATOM 0 HH12 ARG A 32 0.159 -3.298 -21.626 1.00 0.00 H new ATOM 0 HH21 ARG A 32 1.648 -4.658 -18.827 1.00 0.00 H new ATOM 0 HH22 ARG A 32 1.416 -4.750 -20.575 1.00 0.00 H new ATOM 577 N ALA A 33 2.343 -5.150 -12.280 1.00 0.00 N ATOM 578 CA ALA A 33 3.643 -5.456 -11.657 1.00 0.00 C ATOM 579 C ALA A 33 4.700 -5.919 -12.679 1.00 0.00 C ATOM 580 O ALA A 33 5.855 -5.508 -12.623 1.00 0.00 O ATOM 581 CB ALA A 33 3.441 -6.543 -10.593 1.00 0.00 C ATOM 0 H ALA A 33 1.555 -5.590 -11.804 1.00 0.00 H new ATOM 0 HA ALA A 33 4.019 -4.537 -11.207 1.00 0.00 H new ATOM 0 HB1 ALA A 33 4.398 -6.777 -10.126 1.00 0.00 H new ATOM 0 HB2 ALA A 33 2.745 -6.185 -9.835 1.00 0.00 H new ATOM 0 HB3 ALA A 33 3.037 -7.440 -11.062 1.00 0.00 H new ATOM 587 N SER A 34 4.264 -6.719 -13.659 1.00 0.00 N ATOM 588 CA SER A 34 5.047 -7.233 -14.786 1.00 0.00 C ATOM 589 C SER A 34 5.706 -6.155 -15.670 1.00 0.00 C ATOM 590 O SER A 34 6.664 -6.461 -16.383 1.00 0.00 O ATOM 591 CB SER A 34 4.097 -8.056 -15.666 1.00 0.00 C ATOM 592 OG SER A 34 3.468 -9.092 -14.930 1.00 0.00 O ATOM 0 H SER A 34 3.297 -7.043 -13.687 1.00 0.00 H new ATOM 0 HA SER A 34 5.866 -7.812 -14.360 1.00 0.00 H new ATOM 0 HB2 SER A 34 3.338 -7.401 -16.094 1.00 0.00 H new ATOM 0 HB3 SER A 34 4.653 -8.487 -16.499 1.00 0.00 H new ATOM 0 HG SER A 34 2.869 -9.595 -15.520 1.00 0.00 H new ATOM 598 N ASP A 35 5.220 -4.906 -15.655 1.00 0.00 N ATOM 599 CA ASP A 35 5.782 -3.784 -16.426 1.00 0.00 C ATOM 600 C ASP A 35 6.944 -3.062 -15.712 1.00 0.00 C ATOM 601 O ASP A 35 7.708 -2.331 -16.349 1.00 0.00 O ATOM 602 CB ASP A 35 4.651 -2.804 -16.762 1.00 0.00 C ATOM 603 CG ASP A 35 5.076 -1.742 -17.792 1.00 0.00 C ATOM 604 OD1 ASP A 35 5.347 -2.114 -18.960 1.00 0.00 O ATOM 605 OD2 ASP A 35 5.103 -0.535 -17.453 1.00 0.00 O ATOM 0 H ASP A 35 4.409 -4.640 -15.096 1.00 0.00 H new ATOM 0 HA ASP A 35 6.217 -4.194 -17.338 1.00 0.00 H new ATOM 0 HB2 ASP A 35 3.797 -3.359 -17.149 1.00 0.00 H new ATOM 0 HB3 ASP A 35 4.321 -2.308 -15.849 1.00 0.00 H new ATOM 610 N TRP A 36 7.107 -3.285 -14.404 1.00 0.00 N ATOM 611 CA TRP A 36 8.185 -2.746 -13.568 1.00 0.00 C ATOM 612 C TRP A 36 8.919 -3.890 -12.831 1.00 0.00 C ATOM 613 O TRP A 36 8.752 -5.070 -13.154 1.00 0.00 O ATOM 614 CB TRP A 36 7.645 -1.609 -12.667 1.00 0.00 C ATOM 615 CG TRP A 36 6.191 -1.611 -12.300 1.00 0.00 C ATOM 616 CD1 TRP A 36 5.213 -1.018 -13.022 1.00 0.00 C ATOM 617 CD2 TRP A 36 5.532 -2.151 -11.112 1.00 0.00 C ATOM 618 NE1 TRP A 36 3.998 -1.196 -12.400 1.00 0.00 N ATOM 619 CE2 TRP A 36 4.143 -1.827 -11.185 1.00 0.00 C ATOM 620 CE3 TRP A 36 5.968 -2.830 -9.953 1.00 0.00 C ATOM 621 CZ2 TRP A 36 3.247 -2.124 -10.151 1.00 0.00 C ATOM 622 CZ3 TRP A 36 5.071 -3.152 -8.915 1.00 0.00 C ATOM 623 CH2 TRP A 36 3.715 -2.790 -9.005 1.00 0.00 C ATOM 0 H TRP A 36 6.462 -3.872 -13.875 1.00 0.00 H new ATOM 0 HA TRP A 36 8.952 -2.276 -14.184 1.00 0.00 H new ATOM 0 HB2 TRP A 36 8.220 -1.620 -11.741 1.00 0.00 H new ATOM 0 HB3 TRP A 36 7.859 -0.663 -13.164 1.00 0.00 H new ATOM 0 HD1 TRP A 36 5.363 -0.484 -13.949 1.00 0.00 H new ATOM 0 HE1 TRP A 36 3.104 -0.898 -12.790 1.00 0.00 H new ATOM 0 HE3 TRP A 36 7.008 -3.107 -9.861 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 2.207 -1.844 -10.233 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 5.428 -3.681 -8.044 1.00 0.00 H new ATOM 0 HH2 TRP A 36 3.037 -3.023 -8.198 1.00 0.00 H new ATOM 634 N LYS A 37 9.787 -3.564 -11.867 1.00 0.00 N ATOM 635 CA LYS A 37 10.446 -4.551 -10.998 1.00 0.00 C ATOM 636 C LYS A 37 9.429 -5.181 -10.038 1.00 0.00 C ATOM 637 O LYS A 37 8.954 -4.498 -9.136 1.00 0.00 O ATOM 638 CB LYS A 37 11.586 -3.861 -10.226 1.00 0.00 C ATOM 639 CG LYS A 37 12.815 -3.627 -11.117 1.00 0.00 C ATOM 640 CD LYS A 37 13.892 -2.816 -10.383 1.00 0.00 C ATOM 641 CE LYS A 37 15.260 -3.035 -11.037 1.00 0.00 C ATOM 642 NZ LYS A 37 16.305 -2.173 -10.426 1.00 0.00 N ATOM 0 H LYS A 37 10.055 -2.601 -11.665 1.00 0.00 H new ATOM 0 HA LYS A 37 10.866 -5.353 -11.605 1.00 0.00 H new ATOM 0 HB2 LYS A 37 11.234 -2.907 -9.833 1.00 0.00 H new ATOM 0 HB3 LYS A 37 11.869 -4.473 -9.370 1.00 0.00 H new ATOM 0 HG2 LYS A 37 13.229 -4.586 -11.428 1.00 0.00 H new ATOM 0 HG3 LYS A 37 12.515 -3.100 -12.023 1.00 0.00 H new ATOM 0 HD2 LYS A 37 13.637 -1.757 -10.404 1.00 0.00 H new ATOM 0 HD3 LYS A 37 13.930 -3.114 -9.335 1.00 0.00 H new ATOM 0 HE2 LYS A 37 15.548 -4.082 -10.938 1.00 0.00 H new ATOM 0 HE3 LYS A 37 15.191 -2.823 -12.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 17.217 -2.349 -10.894 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 16.043 -1.173 -10.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 16.388 -2.393 -9.413 1.00 0.00 H new ATOM 656 N LEU A 38 9.112 -6.468 -10.211 1.00 0.00 N ATOM 657 CA LEU A 38 8.240 -7.245 -9.306 1.00 0.00 C ATOM 658 C LEU A 38 8.985 -8.250 -8.400 1.00 0.00 C ATOM 659 O LEU A 38 8.362 -8.886 -7.549 1.00 0.00 O ATOM 660 CB LEU A 38 7.058 -7.877 -10.072 1.00 0.00 C ATOM 661 CG LEU A 38 7.332 -9.123 -10.936 1.00 0.00 C ATOM 662 CD1 LEU A 38 6.007 -9.653 -11.500 1.00 0.00 C ATOM 663 CD2 LEU A 38 8.271 -8.846 -12.114 1.00 0.00 C ATOM 0 H LEU A 38 9.458 -7.016 -10.999 1.00 0.00 H new ATOM 0 HA LEU A 38 7.826 -6.524 -8.601 1.00 0.00 H new ATOM 0 HB2 LEU A 38 6.291 -8.140 -9.343 1.00 0.00 H new ATOM 0 HB3 LEU A 38 6.633 -7.110 -10.719 1.00 0.00 H new ATOM 0 HG LEU A 38 7.816 -9.851 -10.285 1.00 0.00 H new ATOM 0 HD11 LEU A 38 6.199 -10.535 -12.112 1.00 0.00 H new ATOM 0 HD12 LEU A 38 5.342 -9.919 -10.678 1.00 0.00 H new ATOM 0 HD13 LEU A 38 5.538 -8.882 -12.111 1.00 0.00 H new ATOM 0 HD21 LEU A 38 8.423 -9.764 -12.682 1.00 0.00 H new ATOM 0 HD22 LEU A 38 7.829 -8.088 -12.761 1.00 0.00 H new ATOM 0 HD23 LEU A 38 9.230 -8.489 -11.739 1.00 0.00 H new ATOM 675 N ASP A 39 10.305 -8.394 -8.566 1.00 0.00 N ATOM 676 CA ASP A 39 11.169 -9.312 -7.798 1.00 0.00 C ATOM 677 C ASP A 39 12.440 -8.629 -7.231 1.00 0.00 C ATOM 678 O ASP A 39 13.203 -9.236 -6.479 1.00 0.00 O ATOM 679 CB ASP A 39 11.518 -10.499 -8.714 1.00 0.00 C ATOM 680 CG ASP A 39 12.254 -11.636 -7.982 1.00 0.00 C ATOM 681 OD1 ASP A 39 11.683 -12.217 -7.028 1.00 0.00 O ATOM 682 OD2 ASP A 39 13.388 -11.986 -8.392 1.00 0.00 O ATOM 0 H ASP A 39 10.824 -7.858 -9.262 1.00 0.00 H new ATOM 0 HA ASP A 39 10.627 -9.655 -6.917 1.00 0.00 H new ATOM 0 HB2 ASP A 39 10.601 -10.892 -9.153 1.00 0.00 H new ATOM 0 HB3 ASP A 39 12.139 -10.144 -9.537 1.00 0.00 H new ATOM 687 N GLN A 40 12.662 -7.355 -7.577 1.00 0.00 N ATOM 688 CA GLN A 40 13.863 -6.565 -7.289 1.00 0.00 C ATOM 689 C GLN A 40 13.510 -5.310 -6.443 1.00 0.00 C ATOM 690 O GLN A 40 13.366 -4.216 -7.000 1.00 0.00 O ATOM 691 CB GLN A 40 14.569 -6.213 -8.620 1.00 0.00 C ATOM 692 CG GLN A 40 14.668 -7.342 -9.667 1.00 0.00 C ATOM 693 CD GLN A 40 13.513 -7.341 -10.682 1.00 0.00 C ATOM 694 OE1 GLN A 40 12.334 -7.220 -10.366 1.00 0.00 O ATOM 695 NE2 GLN A 40 13.803 -7.446 -11.959 1.00 0.00 N ATOM 0 H GLN A 40 11.967 -6.818 -8.096 1.00 0.00 H new ATOM 0 HA GLN A 40 14.558 -7.149 -6.686 1.00 0.00 H new ATOM 0 HB2 GLN A 40 14.043 -5.373 -9.073 1.00 0.00 H new ATOM 0 HB3 GLN A 40 15.578 -5.871 -8.391 1.00 0.00 H new ATOM 0 HG2 GLN A 40 15.612 -7.248 -10.203 1.00 0.00 H new ATOM 0 HG3 GLN A 40 14.688 -8.303 -9.153 1.00 0.00 H new ATOM 0 HE21 GLN A 40 14.774 -7.548 -12.255 1.00 0.00 H new ATOM 0 HE22 GLN A 40 13.057 -7.426 -12.655 1.00 0.00 H new ATOM 704 N PRO A 41 13.295 -5.436 -5.116 1.00 0.00 N ATOM 705 CA PRO A 41 12.810 -4.335 -4.276 1.00 0.00 C ATOM 706 C PRO A 41 13.861 -3.245 -4.019 1.00 0.00 C ATOM 707 O PRO A 41 15.070 -3.484 -4.078 1.00 0.00 O ATOM 708 CB PRO A 41 12.342 -4.989 -2.973 1.00 0.00 C ATOM 709 CG PRO A 41 13.232 -6.227 -2.866 1.00 0.00 C ATOM 710 CD PRO A 41 13.409 -6.654 -4.324 1.00 0.00 C ATOM 0 HA PRO A 41 12.004 -3.804 -4.782 1.00 0.00 H new ATOM 0 HB2 PRO A 41 12.472 -4.324 -2.119 1.00 0.00 H new ATOM 0 HB3 PRO A 41 11.286 -5.254 -3.012 1.00 0.00 H new ATOM 0 HG2 PRO A 41 14.187 -5.997 -2.394 1.00 0.00 H new ATOM 0 HG3 PRO A 41 12.763 -7.010 -2.271 1.00 0.00 H new ATOM 0 HD2 PRO A 41 14.378 -7.129 -4.476 1.00 0.00 H new ATOM 0 HD3 PRO A 41 12.649 -7.380 -4.613 1.00 0.00 H new ATOM 718 N ASP A 42 13.385 -2.044 -3.682 1.00 0.00 N ATOM 719 CA ASP A 42 14.209 -0.893 -3.279 1.00 0.00 C ATOM 720 C ASP A 42 14.267 -0.724 -1.750 1.00 0.00 C ATOM 721 O ASP A 42 15.282 -0.283 -1.205 1.00 0.00 O ATOM 722 CB ASP A 42 13.650 0.366 -3.953 1.00 0.00 C ATOM 723 CG ASP A 42 14.454 1.620 -3.578 1.00 0.00 C ATOM 724 OD1 ASP A 42 15.568 1.814 -4.123 1.00 0.00 O ATOM 725 OD2 ASP A 42 13.951 2.429 -2.763 1.00 0.00 O ATOM 0 H ASP A 42 12.387 -1.835 -3.681 1.00 0.00 H new ATOM 0 HA ASP A 42 15.235 -1.065 -3.603 1.00 0.00 H new ATOM 0 HB2 ASP A 42 13.664 0.236 -5.035 1.00 0.00 H new ATOM 0 HB3 ASP A 42 12.608 0.502 -3.662 1.00 0.00 H new ATOM 730 N TRP A 43 13.195 -1.118 -1.057 1.00 0.00 N ATOM 731 CA TRP A 43 13.065 -1.084 0.400 1.00 0.00 C ATOM 732 C TRP A 43 12.263 -2.293 0.891 1.00 0.00 C ATOM 733 O TRP A 43 11.331 -2.729 0.213 1.00 0.00 O ATOM 734 CB TRP A 43 12.376 0.230 0.808 1.00 0.00 C ATOM 735 CG TRP A 43 12.056 0.388 2.266 1.00 0.00 C ATOM 736 CD1 TRP A 43 12.827 1.031 3.172 1.00 0.00 C ATOM 737 CD2 TRP A 43 10.870 -0.060 3.000 1.00 0.00 C ATOM 738 NE1 TRP A 43 12.210 1.007 4.409 1.00 0.00 N ATOM 739 CE2 TRP A 43 10.990 0.368 4.357 1.00 0.00 C ATOM 740 CE3 TRP A 43 9.699 -0.776 2.661 1.00 0.00 C ATOM 741 CZ2 TRP A 43 9.989 0.131 5.308 1.00 0.00 C ATOM 742 CZ3 TRP A 43 8.695 -1.037 3.613 1.00 0.00 C ATOM 743 CH2 TRP A 43 8.833 -0.575 4.934 1.00 0.00 C ATOM 0 H TRP A 43 12.361 -1.484 -1.516 1.00 0.00 H new ATOM 0 HA TRP A 43 14.053 -1.130 0.859 1.00 0.00 H new ATOM 0 HB2 TRP A 43 13.015 1.060 0.506 1.00 0.00 H new ATOM 0 HB3 TRP A 43 11.449 0.320 0.242 1.00 0.00 H new ATOM 0 HD1 TRP A 43 13.780 1.493 2.961 1.00 0.00 H new ATOM 0 HE1 TRP A 43 12.609 1.412 5.256 1.00 0.00 H new ATOM 0 HE3 TRP A 43 9.572 -1.131 1.649 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 10.105 0.488 6.321 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 7.815 -1.594 3.327 1.00 0.00 H new ATOM 0 HH2 TRP A 43 8.054 -0.762 5.658 1.00 0.00 H new ATOM 754 N THR A 44 12.575 -2.816 2.078 1.00 0.00 N ATOM 755 CA THR A 44 11.709 -3.748 2.805 1.00 0.00 C ATOM 756 C THR A 44 11.636 -3.398 4.287 1.00 0.00 C ATOM 757 O THR A 44 12.550 -2.795 4.858 1.00 0.00 O ATOM 758 CB THR A 44 12.106 -5.222 2.613 1.00 0.00 C ATOM 759 OG1 THR A 44 13.115 -5.635 3.511 1.00 0.00 O ATOM 760 CG2 THR A 44 12.567 -5.611 1.212 1.00 0.00 C ATOM 0 H THR A 44 13.444 -2.603 2.567 1.00 0.00 H new ATOM 0 HA THR A 44 10.716 -3.633 2.370 1.00 0.00 H new ATOM 0 HB THR A 44 11.163 -5.732 2.809 1.00 0.00 H new ATOM 0 HG1 THR A 44 13.487 -6.491 3.213 1.00 0.00 H new ATOM 0 HG21 THR A 44 12.821 -6.671 1.194 1.00 0.00 H new ATOM 0 HG22 THR A 44 11.766 -5.417 0.499 1.00 0.00 H new ATOM 0 HG23 THR A 44 13.444 -5.023 0.941 1.00 0.00 H new ATOM 768 N GLY A 45 10.533 -3.790 4.914 1.00 0.00 N ATOM 769 CA GLY A 45 10.222 -3.459 6.295 1.00 0.00 C ATOM 770 C GLY A 45 8.931 -4.127 6.739 1.00 0.00 C ATOM 771 O GLY A 45 8.727 -5.318 6.496 1.00 0.00 O ATOM 0 H GLY A 45 9.816 -4.359 4.464 1.00 0.00 H new ATOM 0 HA2 GLY A 45 11.040 -3.776 6.942 1.00 0.00 H new ATOM 0 HA3 GLY A 45 10.132 -2.378 6.402 1.00 0.00 H new ATOM 775 N ARG A 46 8.071 -3.350 7.390 1.00 0.00 N ATOM 776 CA ARG A 46 6.785 -3.768 7.963 1.00 0.00 C ATOM 777 C ARG A 46 5.648 -2.838 7.548 1.00 0.00 C ATOM 778 O ARG A 46 5.862 -1.669 7.232 1.00 0.00 O ATOM 779 CB ARG A 46 6.914 -3.872 9.497 1.00 0.00 C ATOM 780 CG ARG A 46 7.553 -5.220 9.836 1.00 0.00 C ATOM 781 CD ARG A 46 7.860 -5.423 11.318 1.00 0.00 C ATOM 782 NE ARG A 46 8.477 -6.750 11.504 1.00 0.00 N ATOM 783 CZ ARG A 46 9.106 -7.204 12.571 1.00 0.00 C ATOM 784 NH1 ARG A 46 9.621 -8.399 12.558 1.00 0.00 N ATOM 785 NH2 ARG A 46 9.229 -6.499 13.660 1.00 0.00 N ATOM 0 H ARG A 46 8.257 -2.359 7.543 1.00 0.00 H new ATOM 0 HA ARG A 46 6.530 -4.751 7.568 1.00 0.00 H new ATOM 0 HB2 ARG A 46 7.524 -3.055 9.883 1.00 0.00 H new ATOM 0 HB3 ARG A 46 5.934 -3.788 9.967 1.00 0.00 H new ATOM 0 HG2 ARG A 46 6.887 -6.017 9.504 1.00 0.00 H new ATOM 0 HG3 ARG A 46 8.479 -5.321 9.269 1.00 0.00 H new ATOM 0 HD2 ARG A 46 8.532 -4.642 11.673 1.00 0.00 H new ATOM 0 HD3 ARG A 46 6.945 -5.348 11.906 1.00 0.00 H new ATOM 0 HE ARG A 46 8.409 -7.392 10.714 1.00 0.00 H new ATOM 0 HH11 ARG A 46 9.538 -8.981 11.725 1.00 0.00 H new ATOM 0 HH12 ARG A 46 10.108 -8.753 13.381 1.00 0.00 H new ATOM 0 HH21 ARG A 46 8.831 -5.561 13.708 1.00 0.00 H new ATOM 0 HH22 ARG A 46 9.723 -6.885 14.465 1.00 0.00 H new ATOM 799 N LEU A 47 4.430 -3.372 7.555 1.00 0.00 N ATOM 800 CA LEU A 47 3.197 -2.649 7.234 1.00 0.00 C ATOM 801 C LEU A 47 2.484 -2.215 8.518 1.00 0.00 C ATOM 802 O LEU A 47 2.355 -3.026 9.434 1.00 0.00 O ATOM 803 CB LEU A 47 2.300 -3.601 6.427 1.00 0.00 C ATOM 804 CG LEU A 47 0.927 -3.033 6.028 1.00 0.00 C ATOM 805 CD1 LEU A 47 1.034 -2.121 4.810 1.00 0.00 C ATOM 806 CD2 LEU A 47 -0.031 -4.192 5.754 1.00 0.00 C ATOM 0 H LEU A 47 4.266 -4.351 7.791 1.00 0.00 H new ATOM 0 HA LEU A 47 3.422 -1.751 6.658 1.00 0.00 H new ATOM 0 HB2 LEU A 47 2.831 -3.893 5.521 1.00 0.00 H new ATOM 0 HB3 LEU A 47 2.143 -4.508 7.011 1.00 0.00 H new ATOM 0 HG LEU A 47 0.543 -2.428 6.849 1.00 0.00 H new ATOM 0 HD11 LEU A 47 0.046 -1.737 4.555 1.00 0.00 H new ATOM 0 HD12 LEU A 47 1.700 -1.288 5.036 1.00 0.00 H new ATOM 0 HD13 LEU A 47 1.433 -2.685 3.967 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -1.007 -3.798 5.470 1.00 0.00 H new ATOM 0 HD22 LEU A 47 0.362 -4.805 4.943 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -0.132 -4.800 6.653 1.00 0.00 H new ATOM 818 N ARG A 48 1.922 -1.003 8.539 1.00 0.00 N ATOM 819 CA ARG A 48 0.946 -0.547 9.539 1.00 0.00 C ATOM 820 C ARG A 48 -0.198 0.203 8.849 1.00 0.00 C ATOM 821 O ARG A 48 -0.048 1.350 8.437 1.00 0.00 O ATOM 822 CB ARG A 48 1.670 0.329 10.574 1.00 0.00 C ATOM 823 CG ARG A 48 0.813 0.644 11.816 1.00 0.00 C ATOM 824 CD ARG A 48 0.946 -0.403 12.928 1.00 0.00 C ATOM 825 NE ARG A 48 2.312 -0.409 13.479 1.00 0.00 N ATOM 826 CZ ARG A 48 2.793 -1.146 14.459 1.00 0.00 C ATOM 827 NH1 ARG A 48 4.063 -1.104 14.726 1.00 0.00 N ATOM 828 NH2 ARG A 48 2.039 -1.929 15.181 1.00 0.00 N ATOM 0 H ARG A 48 2.138 -0.290 7.842 1.00 0.00 H new ATOM 0 HA ARG A 48 0.505 -1.398 10.058 1.00 0.00 H new ATOM 0 HB2 ARG A 48 2.583 -0.175 10.890 1.00 0.00 H new ATOM 0 HB3 ARG A 48 1.969 1.265 10.101 1.00 0.00 H new ATOM 0 HG2 ARG A 48 1.100 1.619 12.209 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -0.233 0.716 11.518 1.00 0.00 H new ATOM 0 HD2 ARG A 48 0.230 -0.190 13.722 1.00 0.00 H new ATOM 0 HD3 ARG A 48 0.703 -1.390 12.535 1.00 0.00 H new ATOM 0 HE ARG A 48 2.969 0.240 13.047 1.00 0.00 H new ATOM 0 HH11 ARG A 48 4.680 -0.504 14.179 1.00 0.00 H new ATOM 0 HH12 ARG A 48 4.444 -1.671 15.483 1.00 0.00 H new ATOM 0 HH21 ARG A 48 1.038 -1.986 14.995 1.00 0.00 H new ATOM 0 HH22 ARG A 48 2.451 -2.484 15.931 1.00 0.00 H new ATOM 842 N ILE A 49 -1.356 -0.436 8.727 1.00 0.00 N ATOM 843 CA ILE A 49 -2.583 0.206 8.241 1.00 0.00 C ATOM 844 C ILE A 49 -3.326 0.793 9.437 1.00 0.00 C ATOM 845 O ILE A 49 -3.571 0.105 10.431 1.00 0.00 O ATOM 846 CB ILE A 49 -3.444 -0.772 7.421 1.00 0.00 C ATOM 847 CG1 ILE A 49 -2.637 -1.256 6.198 1.00 0.00 C ATOM 848 CG2 ILE A 49 -4.766 -0.135 6.965 1.00 0.00 C ATOM 849 CD1 ILE A 49 -3.436 -2.114 5.217 1.00 0.00 C ATOM 0 H ILE A 49 -1.476 -1.421 8.963 1.00 0.00 H new ATOM 0 HA ILE A 49 -2.335 1.016 7.555 1.00 0.00 H new ATOM 0 HB ILE A 49 -3.699 -1.617 8.060 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -2.246 -0.387 5.668 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -1.778 -1.829 6.548 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -5.341 -0.861 6.390 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -5.341 0.174 7.838 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -4.555 0.735 6.343 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -2.794 -2.412 4.388 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -3.804 -3.004 5.728 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -4.280 -1.540 4.835 1.00 0.00 H new ATOM 861 N THR A 50 -3.693 2.064 9.331 1.00 0.00 N ATOM 862 CA THR A 50 -4.406 2.826 10.366 1.00 0.00 C ATOM 863 C THR A 50 -5.596 3.580 9.756 1.00 0.00 C ATOM 864 O THR A 50 -5.753 3.590 8.535 1.00 0.00 O ATOM 865 CB THR A 50 -3.450 3.793 11.088 1.00 0.00 C ATOM 866 OG1 THR A 50 -2.974 4.765 10.191 1.00 0.00 O ATOM 867 CG2 THR A 50 -2.201 3.139 11.684 1.00 0.00 C ATOM 0 H THR A 50 -3.499 2.618 8.496 1.00 0.00 H new ATOM 0 HA THR A 50 -4.793 2.124 11.105 1.00 0.00 H new ATOM 0 HB THR A 50 -4.052 4.204 11.898 1.00 0.00 H new ATOM 0 HG1 THR A 50 -1.997 4.711 10.138 1.00 0.00 H new ATOM 0 HG21 THR A 50 -1.590 3.899 12.171 1.00 0.00 H new ATOM 0 HG22 THR A 50 -2.498 2.388 12.416 1.00 0.00 H new ATOM 0 HG23 THR A 50 -1.625 2.664 10.890 1.00 0.00 H new ATOM 875 N SER A 51 -6.452 4.206 10.567 1.00 0.00 N ATOM 876 CA SER A 51 -7.558 5.043 10.094 1.00 0.00 C ATOM 877 C SER A 51 -7.994 6.114 11.094 1.00 0.00 C ATOM 878 O SER A 51 -8.325 5.824 12.243 1.00 0.00 O ATOM 879 CB SER A 51 -8.781 4.200 9.712 1.00 0.00 C ATOM 880 OG SER A 51 -9.280 3.456 10.812 1.00 0.00 O ATOM 0 H SER A 51 -6.396 4.145 11.584 1.00 0.00 H new ATOM 0 HA SER A 51 -7.162 5.551 9.215 1.00 0.00 H new ATOM 0 HB2 SER A 51 -9.566 4.853 9.330 1.00 0.00 H new ATOM 0 HB3 SER A 51 -8.513 3.518 8.905 1.00 0.00 H new ATOM 0 HG SER A 51 -9.056 3.917 11.647 1.00 0.00 H new ATOM 886 N LYS A 52 -8.068 7.359 10.635 1.00 0.00 N ATOM 887 CA LYS A 52 -8.702 8.490 11.317 1.00 0.00 C ATOM 888 C LYS A 52 -10.148 8.644 10.819 1.00 0.00 C ATOM 889 O LYS A 52 -10.466 9.484 9.977 1.00 0.00 O ATOM 890 CB LYS A 52 -7.816 9.716 11.094 1.00 0.00 C ATOM 891 CG LYS A 52 -8.205 10.916 11.959 1.00 0.00 C ATOM 892 CD LYS A 52 -7.710 12.227 11.336 1.00 0.00 C ATOM 893 CE LYS A 52 -6.230 12.233 10.933 1.00 0.00 C ATOM 894 NZ LYS A 52 -5.867 13.470 10.203 1.00 0.00 N ATOM 0 H LYS A 52 -7.669 7.623 9.734 1.00 0.00 H new ATOM 0 HA LYS A 52 -8.784 8.340 12.394 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -6.780 9.448 11.303 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -7.866 10.004 10.044 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -9.288 10.950 12.074 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -7.782 10.801 12.957 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -8.312 12.443 10.454 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -7.882 13.037 12.045 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -5.610 12.141 11.824 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -6.020 11.366 10.307 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -4.860 13.439 9.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -6.442 13.545 9.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -6.044 14.296 10.810 1.00 0.00 H new ATOM 908 N GLY A 53 -11.010 7.750 11.295 1.00 0.00 N ATOM 909 CA GLY A 53 -12.422 7.639 10.904 1.00 0.00 C ATOM 910 C GLY A 53 -12.595 6.985 9.529 1.00 0.00 C ATOM 911 O GLY A 53 -12.024 5.923 9.272 1.00 0.00 O ATOM 0 H GLY A 53 -10.739 7.054 11.990 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -12.959 7.055 11.652 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -12.872 8.632 10.891 1.00 0.00 H new ATOM 915 N LYS A 54 -13.350 7.628 8.626 1.00 0.00 N ATOM 916 CA LYS A 54 -13.562 7.201 7.221 1.00 0.00 C ATOM 917 C LYS A 54 -12.308 7.242 6.357 1.00 0.00 C ATOM 918 O LYS A 54 -12.285 6.657 5.277 1.00 0.00 O ATOM 919 CB LYS A 54 -14.762 7.992 6.652 1.00 0.00 C ATOM 920 CG LYS A 54 -15.318 7.563 5.280 1.00 0.00 C ATOM 921 CD LYS A 54 -14.778 8.338 4.068 1.00 0.00 C ATOM 922 CE LYS A 54 -15.691 8.128 2.849 1.00 0.00 C ATOM 923 NZ LYS A 54 -15.091 8.717 1.624 1.00 0.00 N ATOM 0 H LYS A 54 -13.849 8.488 8.854 1.00 0.00 H new ATOM 0 HA LYS A 54 -13.806 6.139 7.206 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -15.575 7.935 7.376 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -14.470 9.040 6.583 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -15.102 6.504 5.136 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -16.403 7.667 5.300 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -14.716 9.400 4.305 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -13.767 8.004 3.835 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -15.862 7.062 2.698 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -16.664 8.583 3.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -15.808 8.760 0.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -14.749 9.677 1.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -14.295 8.127 1.309 1.00 0.00 H new ATOM 937 N THR A 55 -11.233 7.829 6.862 1.00 0.00 N ATOM 938 CA THR A 55 -9.955 7.891 6.167 1.00 0.00 C ATOM 939 C THR A 55 -8.984 6.837 6.694 1.00 0.00 C ATOM 940 O THR A 55 -8.574 6.914 7.852 1.00 0.00 O ATOM 941 CB THR A 55 -9.356 9.289 6.320 1.00 0.00 C ATOM 942 OG1 THR A 55 -10.331 10.297 6.129 1.00 0.00 O ATOM 943 CG2 THR A 55 -8.316 9.476 5.229 1.00 0.00 C ATOM 0 H THR A 55 -11.223 8.281 7.776 1.00 0.00 H new ATOM 0 HA THR A 55 -10.127 7.683 5.111 1.00 0.00 H new ATOM 0 HB THR A 55 -8.939 9.372 7.324 1.00 0.00 H new ATOM 0 HG1 THR A 55 -9.916 11.178 6.235 1.00 0.00 H new ATOM 0 HG21 THR A 55 -7.872 10.468 5.316 1.00 0.00 H new ATOM 0 HG22 THR A 55 -7.538 8.720 5.334 1.00 0.00 H new ATOM 0 HG23 THR A 55 -8.790 9.375 4.253 1.00 0.00 H new ATOM 951 N ALA A 56 -8.584 5.878 5.857 1.00 0.00 N ATOM 952 CA ALA A 56 -7.465 4.973 6.131 1.00 0.00 C ATOM 953 C ALA A 56 -6.119 5.632 5.772 1.00 0.00 C ATOM 954 O ALA A 56 -6.055 6.568 4.976 1.00 0.00 O ATOM 955 CB ALA A 56 -7.671 3.633 5.404 1.00 0.00 C ATOM 0 H ALA A 56 -9.034 5.705 4.958 1.00 0.00 H new ATOM 0 HA ALA A 56 -7.436 4.764 7.200 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -6.832 2.971 5.617 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -8.595 3.170 5.749 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -7.732 3.807 4.330 1.00 0.00 H new ATOM 961 N TYR A 57 -5.026 5.128 6.337 1.00 0.00 N ATOM 962 CA TYR A 57 -3.661 5.529 6.016 1.00 0.00 C ATOM 963 C TYR A 57 -2.814 4.262 5.935 1.00 0.00 C ATOM 964 O TYR A 57 -2.667 3.541 6.927 1.00 0.00 O ATOM 965 CB TYR A 57 -3.104 6.505 7.069 1.00 0.00 C ATOM 966 CG TYR A 57 -3.847 7.822 7.206 1.00 0.00 C ATOM 967 CD1 TYR A 57 -3.324 8.996 6.629 1.00 0.00 C ATOM 968 CD2 TYR A 57 -5.061 7.875 7.919 1.00 0.00 C ATOM 969 CE1 TYR A 57 -4.030 10.212 6.736 1.00 0.00 C ATOM 970 CE2 TYR A 57 -5.785 9.076 7.995 1.00 0.00 C ATOM 971 CZ TYR A 57 -5.272 10.252 7.410 1.00 0.00 C ATOM 972 OH TYR A 57 -5.970 11.416 7.509 1.00 0.00 O ATOM 0 H TYR A 57 -5.068 4.405 7.055 1.00 0.00 H new ATOM 0 HA TYR A 57 -3.639 6.057 5.063 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -3.107 6.005 8.038 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -2.064 6.720 6.824 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -2.381 8.965 6.104 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -5.436 6.989 8.409 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -3.622 11.113 6.303 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -6.738 9.099 8.503 1.00 0.00 H new ATOM 0 HH TYR A 57 -6.801 11.258 8.004 1.00 0.00 H new ATOM 982 N ILE A 58 -2.252 3.988 4.759 1.00 0.00 N ATOM 983 CA ILE A 58 -1.234 2.948 4.608 1.00 0.00 C ATOM 984 C ILE A 58 0.081 3.542 5.090 1.00 0.00 C ATOM 985 O ILE A 58 0.615 4.434 4.430 1.00 0.00 O ATOM 986 CB ILE A 58 -1.084 2.468 3.148 1.00 0.00 C ATOM 987 CG1 ILE A 58 -2.402 2.224 2.391 1.00 0.00 C ATOM 988 CG2 ILE A 58 -0.181 1.228 3.143 1.00 0.00 C ATOM 989 CD1 ILE A 58 -3.332 1.187 3.014 1.00 0.00 C ATOM 0 H ILE A 58 -2.485 4.474 3.893 1.00 0.00 H new ATOM 0 HA ILE A 58 -1.528 2.074 5.189 1.00 0.00 H new ATOM 0 HB ILE A 58 -0.630 3.285 2.587 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -2.939 3.170 2.316 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -2.165 1.910 1.374 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -0.060 0.870 2.121 1.00 0.00 H new ATOM 0 HG22 ILE A 58 0.795 1.487 3.555 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -0.635 0.445 3.750 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -4.230 1.091 2.404 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -2.823 0.225 3.064 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -3.608 1.504 4.020 1.00 0.00 H new ATOM 1001 N LYS A 59 0.604 3.080 6.224 1.00 0.00 N ATOM 1002 CA LYS A 59 1.925 3.478 6.729 1.00 0.00 C ATOM 1003 C LYS A 59 2.904 2.308 6.649 1.00 0.00 C ATOM 1004 O LYS A 59 2.515 1.141 6.750 1.00 0.00 O ATOM 1005 CB LYS A 59 1.822 4.101 8.130 1.00 0.00 C ATOM 1006 CG LYS A 59 0.726 5.179 8.180 1.00 0.00 C ATOM 1007 CD LYS A 59 0.979 6.209 9.282 1.00 0.00 C ATOM 1008 CE LYS A 59 -0.215 7.162 9.358 1.00 0.00 C ATOM 1009 NZ LYS A 59 0.144 8.408 10.075 1.00 0.00 N ATOM 0 H LYS A 59 0.122 2.413 6.827 1.00 0.00 H new ATOM 0 HA LYS A 59 2.329 4.262 6.089 1.00 0.00 H new ATOM 0 HB2 LYS A 59 1.604 3.323 8.862 1.00 0.00 H new ATOM 0 HB3 LYS A 59 2.780 4.540 8.407 1.00 0.00 H new ATOM 0 HG2 LYS A 59 0.673 5.686 7.216 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -0.241 4.704 8.344 1.00 0.00 H new ATOM 0 HD2 LYS A 59 1.122 5.708 10.239 1.00 0.00 H new ATOM 0 HD3 LYS A 59 1.892 6.766 9.074 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -0.557 7.403 8.351 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -1.044 6.671 9.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -0.723 8.894 10.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 0.723 8.175 10.907 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 0.684 9.030 9.441 1.00 0.00 H new ATOM 1023 N LEU A 60 4.179 2.617 6.437 1.00 0.00 N ATOM 1024 CA LEU A 60 5.251 1.635 6.271 1.00 0.00 C ATOM 1025 C LEU A 60 6.381 1.927 7.264 1.00 0.00 C ATOM 1026 O LEU A 60 6.787 3.078 7.425 1.00 0.00 O ATOM 1027 CB LEU A 60 5.731 1.668 4.811 1.00 0.00 C ATOM 1028 CG LEU A 60 4.692 1.187 3.777 1.00 0.00 C ATOM 1029 CD1 LEU A 60 5.182 1.509 2.369 1.00 0.00 C ATOM 1030 CD2 LEU A 60 4.461 -0.323 3.861 1.00 0.00 C ATOM 0 H LEU A 60 4.506 3.581 6.374 1.00 0.00 H new ATOM 0 HA LEU A 60 4.890 0.629 6.485 1.00 0.00 H new ATOM 0 HB2 LEU A 60 6.024 2.688 4.563 1.00 0.00 H new ATOM 0 HB3 LEU A 60 6.624 1.049 4.723 1.00 0.00 H new ATOM 0 HG LEU A 60 3.757 1.702 3.997 1.00 0.00 H new ATOM 0 HD11 LEU A 60 4.446 1.168 1.641 1.00 0.00 H new ATOM 0 HD12 LEU A 60 5.320 2.586 2.269 1.00 0.00 H new ATOM 0 HD13 LEU A 60 6.131 1.004 2.190 1.00 0.00 H new ATOM 0 HD21 LEU A 60 3.723 -0.620 3.116 1.00 0.00 H new ATOM 0 HD22 LEU A 60 5.399 -0.846 3.671 1.00 0.00 H new ATOM 0 HD23 LEU A 60 4.097 -0.581 4.856 1.00 0.00 H new ATOM 1042 N GLU A 61 6.876 0.894 7.942 1.00 0.00 N ATOM 1043 CA GLU A 61 7.757 0.994 9.111 1.00 0.00 C ATOM 1044 C GLU A 61 9.051 0.180 8.952 1.00 0.00 C ATOM 1045 O GLU A 61 9.066 -0.863 8.298 1.00 0.00 O ATOM 1046 CB GLU A 61 7.014 0.519 10.369 1.00 0.00 C ATOM 1047 CG GLU A 61 5.860 1.440 10.794 1.00 0.00 C ATOM 1048 CD GLU A 61 5.190 0.999 12.114 1.00 0.00 C ATOM 1049 OE1 GLU A 61 5.693 0.099 12.828 1.00 0.00 O ATOM 1050 OE2 GLU A 61 4.109 1.532 12.452 1.00 0.00 O ATOM 0 H GLU A 61 6.669 -0.072 7.686 1.00 0.00 H new ATOM 0 HA GLU A 61 8.037 2.043 9.205 1.00 0.00 H new ATOM 0 HB2 GLU A 61 6.621 -0.482 10.191 1.00 0.00 H new ATOM 0 HB3 GLU A 61 7.725 0.440 11.191 1.00 0.00 H new ATOM 0 HG2 GLU A 61 6.236 2.457 10.906 1.00 0.00 H new ATOM 0 HG3 GLU A 61 5.111 1.463 10.003 1.00 0.00 H new ATOM 1057 N ASP A 62 10.142 0.611 9.590 1.00 0.00 N ATOM 1058 CA ASP A 62 11.408 -0.105 9.623 1.00 0.00 C ATOM 1059 C ASP A 62 11.273 -1.413 10.426 1.00 0.00 C ATOM 1060 O ASP A 62 10.663 -1.442 11.501 1.00 0.00 O ATOM 1061 CB ASP A 62 12.470 0.839 10.200 1.00 0.00 C ATOM 1062 CG ASP A 62 13.801 0.119 10.408 1.00 0.00 C ATOM 1063 OD1 ASP A 62 14.655 0.122 9.491 1.00 0.00 O ATOM 1064 OD2 ASP A 62 13.948 -0.492 11.488 1.00 0.00 O ATOM 0 H ASP A 62 10.164 1.489 10.109 1.00 0.00 H new ATOM 0 HA ASP A 62 11.712 -0.402 8.619 1.00 0.00 H new ATOM 0 HB2 ASP A 62 12.613 1.684 9.526 1.00 0.00 H new ATOM 0 HB3 ASP A 62 12.121 1.244 11.150 1.00 0.00 H new ATOM 1069 N LYS A 63 11.874 -2.495 9.914 1.00 0.00 N ATOM 1070 CA LYS A 63 11.747 -3.867 10.444 1.00 0.00 C ATOM 1071 C LYS A 63 12.342 -4.062 11.852 1.00 0.00 C ATOM 1072 O LYS A 63 12.135 -5.110 12.463 1.00 0.00 O ATOM 1073 CB LYS A 63 12.394 -4.840 9.433 1.00 0.00 C ATOM 1074 CG LYS A 63 11.621 -6.166 9.310 1.00 0.00 C ATOM 1075 CD LYS A 63 12.148 -7.083 8.195 1.00 0.00 C ATOM 1076 CE LYS A 63 11.975 -6.455 6.802 1.00 0.00 C ATOM 1077 NZ LYS A 63 12.420 -7.371 5.726 1.00 0.00 N ATOM 0 H LYS A 63 12.481 -2.443 9.096 1.00 0.00 H new ATOM 0 HA LYS A 63 10.683 -4.074 10.563 1.00 0.00 H new ATOM 0 HB2 LYS A 63 12.445 -4.361 8.455 1.00 0.00 H new ATOM 0 HB3 LYS A 63 13.419 -5.048 9.740 1.00 0.00 H new ATOM 0 HG2 LYS A 63 11.673 -6.697 10.261 1.00 0.00 H new ATOM 0 HG3 LYS A 63 10.569 -5.948 9.123 1.00 0.00 H new ATOM 0 HD2 LYS A 63 13.203 -7.295 8.368 1.00 0.00 H new ATOM 0 HD3 LYS A 63 11.621 -8.037 8.231 1.00 0.00 H new ATOM 0 HE2 LYS A 63 10.928 -6.195 6.648 1.00 0.00 H new ATOM 0 HE3 LYS A 63 12.545 -5.527 6.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 12.676 -6.818 4.883 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 13.247 -7.911 6.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 11.649 -8.028 5.488 1.00 0.00 H new ATOM 1091 N VAL A 64 13.088 -3.075 12.351 1.00 0.00 N ATOM 1092 CA VAL A 64 13.910 -3.132 13.570 1.00 0.00 C ATOM 1093 C VAL A 64 13.439 -2.122 14.613 1.00 0.00 C ATOM 1094 O VAL A 64 13.394 -2.453 15.801 1.00 0.00 O ATOM 1095 CB VAL A 64 15.400 -2.874 13.240 1.00 0.00 C ATOM 1096 CG1 VAL A 64 16.301 -3.443 14.340 1.00 0.00 C ATOM 1097 CG2 VAL A 64 15.841 -3.474 11.894 1.00 0.00 C ATOM 0 H VAL A 64 13.141 -2.164 11.895 1.00 0.00 H new ATOM 0 HA VAL A 64 13.800 -4.134 13.984 1.00 0.00 H new ATOM 0 HB VAL A 64 15.502 -1.791 13.174 1.00 0.00 H new ATOM 0 HG11 VAL A 64 17.345 -3.252 14.090 1.00 0.00 H new ATOM 0 HG12 VAL A 64 16.062 -2.965 15.290 1.00 0.00 H new ATOM 0 HG13 VAL A 64 16.139 -4.518 14.424 1.00 0.00 H new ATOM 0 HG21 VAL A 64 16.896 -3.256 11.726 1.00 0.00 H new ATOM 0 HG22 VAL A 64 15.692 -4.554 11.911 1.00 0.00 H new ATOM 0 HG23 VAL A 64 15.248 -3.038 11.090 1.00 0.00 H new ATOM 1107 N SER A 65 13.053 -0.915 14.181 1.00 0.00 N ATOM 1108 CA SER A 65 12.805 0.221 15.081 1.00 0.00 C ATOM 1109 C SER A 65 11.429 0.880 14.910 1.00 0.00 C ATOM 1110 O SER A 65 11.102 1.811 15.648 1.00 0.00 O ATOM 1111 CB SER A 65 13.923 1.264 14.919 1.00 0.00 C ATOM 1112 OG SER A 65 15.186 0.708 15.264 1.00 0.00 O ATOM 0 H SER A 65 12.903 -0.697 13.196 1.00 0.00 H new ATOM 0 HA SER A 65 12.806 -0.187 16.092 1.00 0.00 H new ATOM 0 HB2 SER A 65 13.947 1.621 13.890 1.00 0.00 H new ATOM 0 HB3 SER A 65 13.716 2.127 15.551 1.00 0.00 H new ATOM 0 HG SER A 65 15.884 1.387 15.153 1.00 0.00 H new ATOM 1118 N GLY A 66 10.610 0.422 13.955 1.00 0.00 N ATOM 1119 CA GLY A 66 9.259 0.947 13.716 1.00 0.00 C ATOM 1120 C GLY A 66 9.208 2.350 13.087 1.00 0.00 C ATOM 1121 O GLY A 66 8.148 2.975 13.063 1.00 0.00 O ATOM 0 H GLY A 66 10.869 -0.332 13.319 1.00 0.00 H new ATOM 0 HA2 GLY A 66 8.726 0.254 13.065 1.00 0.00 H new ATOM 0 HA3 GLY A 66 8.722 0.971 14.664 1.00 0.00 H new ATOM 1125 N GLU A 67 10.340 2.872 12.601 1.00 0.00 N ATOM 1126 CA GLU A 67 10.459 4.241 12.069 1.00 0.00 C ATOM 1127 C GLU A 67 9.778 4.385 10.697 1.00 0.00 C ATOM 1128 O GLU A 67 9.853 3.474 9.870 1.00 0.00 O ATOM 1129 CB GLU A 67 11.936 4.663 11.980 1.00 0.00 C ATOM 1130 CG GLU A 67 12.626 4.691 13.350 1.00 0.00 C ATOM 1131 CD GLU A 67 14.050 5.268 13.239 1.00 0.00 C ATOM 1132 OE1 GLU A 67 14.226 6.500 13.400 1.00 0.00 O ATOM 1133 OE2 GLU A 67 15.008 4.492 12.997 1.00 0.00 O ATOM 0 H GLU A 67 11.215 2.349 12.564 1.00 0.00 H new ATOM 0 HA GLU A 67 9.944 4.904 12.764 1.00 0.00 H new ATOM 0 HB2 GLU A 67 12.468 3.974 11.324 1.00 0.00 H new ATOM 0 HB3 GLU A 67 12.001 5.651 11.525 1.00 0.00 H new ATOM 0 HG2 GLU A 67 12.039 5.292 14.044 1.00 0.00 H new ATOM 0 HG3 GLU A 67 12.670 3.682 13.760 1.00 0.00 H new ATOM 1140 N LEU A 68 9.121 5.523 10.436 1.00 0.00 N ATOM 1141 CA LEU A 68 8.302 5.723 9.234 1.00 0.00 C ATOM 1142 C LEU A 68 9.158 5.829 7.954 1.00 0.00 C ATOM 1143 O LEU A 68 10.020 6.704 7.837 1.00 0.00 O ATOM 1144 CB LEU A 68 7.408 6.967 9.429 1.00 0.00 C ATOM 1145 CG LEU A 68 6.340 7.157 8.331 1.00 0.00 C ATOM 1146 CD1 LEU A 68 5.200 6.145 8.459 1.00 0.00 C ATOM 1147 CD2 LEU A 68 5.724 8.552 8.428 1.00 0.00 C ATOM 0 H LEU A 68 9.143 6.333 11.055 1.00 0.00 H new ATOM 0 HA LEU A 68 7.669 4.847 9.097 1.00 0.00 H new ATOM 0 HB2 LEU A 68 6.910 6.895 10.396 1.00 0.00 H new ATOM 0 HB3 LEU A 68 8.041 7.854 9.462 1.00 0.00 H new ATOM 0 HG LEU A 68 6.847 7.014 7.377 1.00 0.00 H new ATOM 0 HD11 LEU A 68 4.471 6.315 7.666 1.00 0.00 H new ATOM 0 HD12 LEU A 68 5.599 5.134 8.374 1.00 0.00 H new ATOM 0 HD13 LEU A 68 4.716 6.263 9.428 1.00 0.00 H new ATOM 0 HD21 LEU A 68 4.972 8.673 7.648 1.00 0.00 H new ATOM 0 HD22 LEU A 68 5.256 8.676 9.405 1.00 0.00 H new ATOM 0 HD23 LEU A 68 6.503 9.303 8.301 1.00 0.00 H new ATOM 1159 N PHE A 69 8.866 4.972 6.975 1.00 0.00 N ATOM 1160 CA PHE A 69 9.411 5.017 5.612 1.00 0.00 C ATOM 1161 C PHE A 69 8.552 5.903 4.694 1.00 0.00 C ATOM 1162 O PHE A 69 9.067 6.844 4.083 1.00 0.00 O ATOM 1163 CB PHE A 69 9.528 3.577 5.090 1.00 0.00 C ATOM 1164 CG PHE A 69 9.742 3.453 3.592 1.00 0.00 C ATOM 1165 CD1 PHE A 69 8.869 2.659 2.827 1.00 0.00 C ATOM 1166 CD2 PHE A 69 10.801 4.126 2.957 1.00 0.00 C ATOM 1167 CE1 PHE A 69 9.046 2.542 1.439 1.00 0.00 C ATOM 1168 CE2 PHE A 69 10.969 4.022 1.564 1.00 0.00 C ATOM 1169 CZ PHE A 69 10.088 3.233 0.799 1.00 0.00 C ATOM 0 H PHE A 69 8.218 4.196 7.112 1.00 0.00 H new ATOM 0 HA PHE A 69 10.401 5.472 5.622 1.00 0.00 H new ATOM 0 HB2 PHE A 69 10.356 3.087 5.602 1.00 0.00 H new ATOM 0 HB3 PHE A 69 8.622 3.034 5.359 1.00 0.00 H new ATOM 0 HD1 PHE A 69 8.057 2.136 3.310 1.00 0.00 H new ATOM 0 HD2 PHE A 69 11.486 4.724 3.540 1.00 0.00 H new ATOM 0 HE1 PHE A 69 8.379 1.919 0.862 1.00 0.00 H new ATOM 0 HE2 PHE A 69 11.777 4.550 1.079 1.00 0.00 H new ATOM 0 HZ PHE A 69 10.213 3.160 -0.271 1.00 0.00 H new ATOM 1179 N ALA A 70 7.246 5.632 4.627 1.00 0.00 N ATOM 1180 CA ALA A 70 6.271 6.392 3.840 1.00 0.00 C ATOM 1181 C ALA A 70 4.848 6.251 4.407 1.00 0.00 C ATOM 1182 O ALA A 70 4.559 5.312 5.157 1.00 0.00 O ATOM 1183 CB ALA A 70 6.311 5.908 2.383 1.00 0.00 C ATOM 0 H ALA A 70 6.825 4.854 5.134 1.00 0.00 H new ATOM 0 HA ALA A 70 6.538 7.448 3.889 1.00 0.00 H new ATOM 0 HB1 ALA A 70 5.587 6.470 1.793 1.00 0.00 H new ATOM 0 HB2 ALA A 70 7.310 6.063 1.976 1.00 0.00 H new ATOM 0 HB3 ALA A 70 6.064 4.847 2.345 1.00 0.00 H new ATOM 1189 N GLN A 71 3.953 7.160 4.008 1.00 0.00 N ATOM 1190 CA GLN A 71 2.516 7.077 4.290 1.00 0.00 C ATOM 1191 C GLN A 71 1.651 7.536 3.101 1.00 0.00 C ATOM 1192 O GLN A 71 1.971 8.524 2.437 1.00 0.00 O ATOM 1193 CB GLN A 71 2.165 7.808 5.601 1.00 0.00 C ATOM 1194 CG GLN A 71 2.561 9.297 5.645 1.00 0.00 C ATOM 1195 CD GLN A 71 2.332 9.944 7.013 1.00 0.00 C ATOM 1196 OE1 GLN A 71 1.602 9.461 7.871 1.00 0.00 O ATOM 1197 NE2 GLN A 71 2.958 11.068 7.284 1.00 0.00 N ATOM 0 H GLN A 71 4.211 7.988 3.471 1.00 0.00 H new ATOM 0 HA GLN A 71 2.274 6.024 4.434 1.00 0.00 H new ATOM 0 HB2 GLN A 71 1.091 7.729 5.767 1.00 0.00 H new ATOM 0 HB3 GLN A 71 2.654 7.293 6.428 1.00 0.00 H new ATOM 0 HG2 GLN A 71 3.613 9.394 5.376 1.00 0.00 H new ATOM 0 HG3 GLN A 71 1.989 9.840 4.893 1.00 0.00 H new ATOM 0 HE21 GLN A 71 3.571 11.491 6.587 1.00 0.00 H new ATOM 0 HE22 GLN A 71 2.830 11.517 8.191 1.00 0.00 H new ATOM 1206 N ALA A 72 0.553 6.816 2.846 1.00 0.00 N ATOM 1207 CA ALA A 72 -0.442 7.090 1.805 1.00 0.00 C ATOM 1208 C ALA A 72 -1.855 7.237 2.418 1.00 0.00 C ATOM 1209 O ALA A 72 -2.419 6.233 2.870 1.00 0.00 O ATOM 1210 CB ALA A 72 -0.433 5.947 0.780 1.00 0.00 C ATOM 0 H ALA A 72 0.323 5.983 3.389 1.00 0.00 H new ATOM 0 HA ALA A 72 -0.186 8.028 1.313 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -1.172 6.148 0.004 1.00 0.00 H new ATOM 0 HB2 ALA A 72 0.556 5.871 0.328 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -0.676 5.009 1.279 1.00 0.00 H new ATOM 1216 N PRO A 73 -2.458 8.441 2.437 1.00 0.00 N ATOM 1217 CA PRO A 73 -3.852 8.636 2.845 1.00 0.00 C ATOM 1218 C PRO A 73 -4.835 8.048 1.818 1.00 0.00 C ATOM 1219 O PRO A 73 -4.766 8.377 0.633 1.00 0.00 O ATOM 1220 CB PRO A 73 -4.035 10.153 3.003 1.00 0.00 C ATOM 1221 CG PRO A 73 -2.610 10.694 3.121 1.00 0.00 C ATOM 1222 CD PRO A 73 -1.810 9.730 2.250 1.00 0.00 C ATOM 0 HA PRO A 73 -4.066 8.114 3.778 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -4.554 10.583 2.146 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -4.626 10.393 3.887 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -2.536 11.720 2.762 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -2.260 10.692 4.153 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -1.827 10.034 1.203 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -0.764 9.696 2.555 1.00 0.00 H new ATOM 1230 N VAL A 74 -5.773 7.213 2.271 1.00 0.00 N ATOM 1231 CA VAL A 74 -6.820 6.548 1.474 1.00 0.00 C ATOM 1232 C VAL A 74 -8.197 6.974 2.001 1.00 0.00 C ATOM 1233 O VAL A 74 -8.527 6.714 3.155 1.00 0.00 O ATOM 1234 CB VAL A 74 -6.676 5.005 1.538 1.00 0.00 C ATOM 1235 CG1 VAL A 74 -7.769 4.298 0.728 1.00 0.00 C ATOM 1236 CG2 VAL A 74 -5.322 4.458 1.070 1.00 0.00 C ATOM 0 H VAL A 74 -5.830 6.965 3.259 1.00 0.00 H new ATOM 0 HA VAL A 74 -6.714 6.848 0.431 1.00 0.00 H new ATOM 0 HB VAL A 74 -6.770 4.790 2.602 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -7.633 3.219 0.798 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -8.748 4.567 1.125 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -7.704 4.605 -0.316 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -5.320 3.371 1.153 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -5.154 4.743 0.032 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -4.528 4.870 1.693 1.00 0.00 H new ATOM 1246 N GLU A 75 -9.038 7.583 1.162 1.00 0.00 N ATOM 1247 CA GLU A 75 -10.414 7.979 1.527 1.00 0.00 C ATOM 1248 C GLU A 75 -11.490 7.206 0.739 1.00 0.00 C ATOM 1249 O GLU A 75 -12.686 7.462 0.889 1.00 0.00 O ATOM 1250 CB GLU A 75 -10.585 9.504 1.384 1.00 0.00 C ATOM 1251 CG GLU A 75 -11.567 10.069 2.426 1.00 0.00 C ATOM 1252 CD GLU A 75 -12.389 11.249 1.879 1.00 0.00 C ATOM 1253 OE1 GLU A 75 -11.822 12.346 1.648 1.00 0.00 O ATOM 1254 OE2 GLU A 75 -13.619 11.080 1.690 1.00 0.00 O ATOM 0 H GLU A 75 -8.788 7.820 0.202 1.00 0.00 H new ATOM 0 HA GLU A 75 -10.564 7.709 2.572 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -9.616 9.991 1.496 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -10.945 9.737 0.382 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -12.243 9.278 2.750 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -11.012 10.394 3.306 1.00 0.00 H new ATOM 1261 N GLN A 76 -11.073 6.260 -0.107 1.00 0.00 N ATOM 1262 CA GLN A 76 -11.934 5.366 -0.872 1.00 0.00 C ATOM 1263 C GLN A 76 -11.181 4.081 -1.257 1.00 0.00 C ATOM 1264 O GLN A 76 -10.019 4.148 -1.667 1.00 0.00 O ATOM 1265 CB GLN A 76 -12.510 6.099 -2.107 1.00 0.00 C ATOM 1266 CG GLN A 76 -11.560 6.382 -3.287 1.00 0.00 C ATOM 1267 CD GLN A 76 -10.372 7.290 -2.962 1.00 0.00 C ATOM 1268 OE1 GLN A 76 -10.434 8.506 -3.067 1.00 0.00 O ATOM 1269 NE2 GLN A 76 -9.239 6.739 -2.573 1.00 0.00 N ATOM 0 H GLN A 76 -10.082 6.092 -0.282 1.00 0.00 H new ATOM 0 HA GLN A 76 -12.776 5.067 -0.249 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -13.346 5.511 -2.485 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -12.917 7.052 -1.770 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -11.179 5.432 -3.662 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -12.134 6.836 -4.094 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -9.170 5.726 -2.480 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -8.431 7.326 -2.365 1.00 0.00 H new ATOM 1278 N TYR A 77 -11.846 2.928 -1.165 1.00 0.00 N ATOM 1279 CA TYR A 77 -11.314 1.631 -1.598 1.00 0.00 C ATOM 1280 C TYR A 77 -12.224 0.930 -2.629 1.00 0.00 C ATOM 1281 O TYR A 77 -13.429 0.805 -2.373 1.00 0.00 O ATOM 1282 CB TYR A 77 -11.058 0.718 -0.391 1.00 0.00 C ATOM 1283 CG TYR A 77 -10.282 -0.512 -0.796 1.00 0.00 C ATOM 1284 CD1 TYR A 77 -10.905 -1.730 -1.121 1.00 0.00 C ATOM 1285 CD2 TYR A 77 -8.906 -0.362 -0.981 1.00 0.00 C ATOM 1286 CE1 TYR A 77 -10.147 -2.767 -1.699 1.00 0.00 C ATOM 1287 CE2 TYR A 77 -8.135 -1.385 -1.549 1.00 0.00 C ATOM 1288 CZ TYR A 77 -8.762 -2.587 -1.941 1.00 0.00 C ATOM 1289 OH TYR A 77 -8.036 -3.546 -2.578 1.00 0.00 O ATOM 0 H TYR A 77 -12.789 2.867 -0.780 1.00 0.00 H new ATOM 0 HA TYR A 77 -10.366 1.830 -2.097 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -10.505 1.266 0.373 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -12.008 0.422 0.054 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -11.959 -1.870 -0.929 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -8.428 0.559 -0.681 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -10.622 -3.701 -1.958 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -7.072 -1.255 -1.685 1.00 0.00 H new ATOM 0 HH TYR A 77 -8.283 -4.428 -2.230 1.00 0.00 H new ATOM 1299 N PRO A 78 -11.681 0.440 -3.764 1.00 0.00 N ATOM 1300 CA PRO A 78 -10.369 0.796 -4.325 1.00 0.00 C ATOM 1301 C PRO A 78 -10.325 2.277 -4.759 1.00 0.00 C ATOM 1302 O PRO A 78 -11.364 2.931 -4.888 1.00 0.00 O ATOM 1303 CB PRO A 78 -10.176 -0.152 -5.512 1.00 0.00 C ATOM 1304 CG PRO A 78 -11.604 -0.383 -6.003 1.00 0.00 C ATOM 1305 CD PRO A 78 -12.410 -0.400 -4.704 1.00 0.00 C ATOM 0 HA PRO A 78 -9.569 0.690 -3.593 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -9.550 0.292 -6.286 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -9.697 -1.084 -5.211 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -11.934 0.410 -6.674 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -11.697 -1.322 -6.549 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -13.418 -0.019 -4.866 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -12.511 -1.416 -4.322 1.00 0.00 H new ATOM 1313 N GLY A 79 -9.127 2.817 -4.993 1.00 0.00 N ATOM 1314 CA GLY A 79 -8.934 4.193 -5.468 1.00 0.00 C ATOM 1315 C GLY A 79 -7.551 4.457 -6.073 1.00 0.00 C ATOM 1316 O GLY A 79 -6.855 3.537 -6.495 1.00 0.00 O ATOM 0 H GLY A 79 -8.254 2.308 -4.857 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -9.695 4.418 -6.215 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -9.092 4.879 -4.636 1.00 0.00 H new ATOM 1320 N ILE A 80 -7.131 5.727 -6.093 1.00 0.00 N ATOM 1321 CA ILE A 80 -5.778 6.124 -6.523 1.00 0.00 C ATOM 1322 C ILE A 80 -4.746 5.877 -5.419 1.00 0.00 C ATOM 1323 O ILE A 80 -3.575 5.622 -5.701 1.00 0.00 O ATOM 1324 CB ILE A 80 -5.780 7.592 -7.007 1.00 0.00 C ATOM 1325 CG1 ILE A 80 -4.455 8.058 -7.651 1.00 0.00 C ATOM 1326 CG2 ILE A 80 -6.118 8.595 -5.887 1.00 0.00 C ATOM 1327 CD1 ILE A 80 -3.971 7.194 -8.821 1.00 0.00 C ATOM 0 H ILE A 80 -7.718 6.512 -5.812 1.00 0.00 H new ATOM 0 HA ILE A 80 -5.483 5.499 -7.366 1.00 0.00 H new ATOM 0 HB ILE A 80 -6.561 7.589 -7.768 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -4.578 9.083 -8.001 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -3.680 8.074 -6.884 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -6.104 9.608 -6.289 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -7.109 8.376 -5.490 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -5.381 8.511 -5.089 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -3.035 7.597 -9.209 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -3.811 6.172 -8.477 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -4.722 7.197 -9.611 1.00 0.00 H new ATOM 1339 N ALA A 81 -5.182 5.926 -4.155 1.00 0.00 N ATOM 1340 CA ALA A 81 -4.292 5.757 -3.022 1.00 0.00 C ATOM 1341 C ALA A 81 -3.973 4.295 -2.708 1.00 0.00 C ATOM 1342 O ALA A 81 -2.922 4.047 -2.128 1.00 0.00 O ATOM 1343 CB ALA A 81 -4.826 6.508 -1.812 1.00 0.00 C ATOM 0 H ALA A 81 -6.157 6.083 -3.899 1.00 0.00 H new ATOM 0 HA ALA A 81 -3.334 6.195 -3.301 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -4.147 6.371 -0.970 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -4.903 7.569 -2.047 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -5.811 6.122 -1.550 1.00 0.00 H new ATOM 1349 N VAL A 82 -4.820 3.338 -3.104 1.00 0.00 N ATOM 1350 CA VAL A 82 -4.512 1.907 -3.080 1.00 0.00 C ATOM 1351 C VAL A 82 -5.218 1.188 -4.247 1.00 0.00 C ATOM 1352 O VAL A 82 -6.429 1.325 -4.442 1.00 0.00 O ATOM 1353 CB VAL A 82 -4.884 1.346 -1.705 1.00 0.00 C ATOM 1354 CG1 VAL A 82 -6.321 1.655 -1.323 1.00 0.00 C ATOM 1355 CG2 VAL A 82 -4.538 -0.138 -1.638 1.00 0.00 C ATOM 0 H VAL A 82 -5.755 3.542 -3.456 1.00 0.00 H new ATOM 0 HA VAL A 82 -3.445 1.738 -3.226 1.00 0.00 H new ATOM 0 HB VAL A 82 -4.285 1.852 -0.948 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -6.534 1.236 -0.340 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -6.466 2.735 -1.296 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -6.995 1.217 -2.059 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -4.806 -0.530 -0.657 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -5.092 -0.676 -2.407 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -3.469 -0.270 -1.802 1.00 0.00 H new ATOM 1365 N GLU A 83 -4.460 0.417 -5.028 1.00 0.00 N ATOM 1366 CA GLU A 83 -4.923 -0.316 -6.220 1.00 0.00 C ATOM 1367 C GLU A 83 -4.235 -1.683 -6.364 1.00 0.00 C ATOM 1368 O GLU A 83 -3.080 -1.844 -5.973 1.00 0.00 O ATOM 1369 CB GLU A 83 -4.670 0.536 -7.486 1.00 0.00 C ATOM 1370 CG GLU A 83 -5.937 0.797 -8.310 1.00 0.00 C ATOM 1371 CD GLU A 83 -6.447 -0.460 -9.037 1.00 0.00 C ATOM 1372 OE1 GLU A 83 -6.291 -0.545 -10.279 1.00 0.00 O ATOM 1373 OE2 GLU A 83 -7.016 -1.356 -8.369 1.00 0.00 O ATOM 0 H GLU A 83 -3.466 0.277 -4.845 1.00 0.00 H new ATOM 0 HA GLU A 83 -5.991 -0.499 -6.101 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -4.235 1.491 -7.191 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -3.935 0.031 -8.113 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -6.721 1.174 -7.653 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -5.733 1.577 -9.043 1.00 0.00 H new ATOM 1380 N THR A 84 -4.901 -2.657 -6.987 1.00 0.00 N ATOM 1381 CA THR A 84 -4.304 -3.942 -7.380 1.00 0.00 C ATOM 1382 C THR A 84 -3.853 -3.831 -8.828 1.00 0.00 C ATOM 1383 O THR A 84 -4.643 -3.965 -9.758 1.00 0.00 O ATOM 1384 CB THR A 84 -5.260 -5.131 -7.215 1.00 0.00 C ATOM 1385 OG1 THR A 84 -6.138 -4.988 -6.115 1.00 0.00 O ATOM 1386 CG2 THR A 84 -4.501 -6.434 -6.987 1.00 0.00 C ATOM 0 H THR A 84 -5.886 -2.577 -7.238 1.00 0.00 H new ATOM 0 HA THR A 84 -3.462 -4.140 -6.716 1.00 0.00 H new ATOM 0 HB THR A 84 -5.828 -5.155 -8.145 1.00 0.00 H new ATOM 0 HG1 THR A 84 -6.723 -5.772 -6.060 1.00 0.00 H new ATOM 0 HG21 THR A 84 -5.211 -7.254 -6.875 1.00 0.00 H new ATOM 0 HG22 THR A 84 -3.852 -6.631 -7.840 1.00 0.00 H new ATOM 0 HG23 THR A 84 -3.897 -6.350 -6.083 1.00 0.00 H new ATOM 1394 N VAL A 85 -2.555 -3.573 -8.973 1.00 0.00 N ATOM 1395 CA VAL A 85 -1.683 -3.819 -10.140 1.00 0.00 C ATOM 1396 C VAL A 85 -2.401 -4.128 -11.460 1.00 0.00 C ATOM 1397 O VAL A 85 -2.454 -3.264 -12.337 1.00 0.00 O ATOM 1398 CB VAL A 85 -0.637 -4.900 -9.801 1.00 0.00 C ATOM 1399 CG1 VAL A 85 0.512 -4.246 -9.037 1.00 0.00 C ATOM 1400 CG2 VAL A 85 -1.166 -6.052 -8.937 1.00 0.00 C ATOM 0 H VAL A 85 -2.029 -3.146 -8.210 1.00 0.00 H new ATOM 0 HA VAL A 85 -1.191 -2.866 -10.333 1.00 0.00 H new ATOM 0 HB VAL A 85 -0.331 -5.328 -10.755 1.00 0.00 H new ATOM 0 HG11 VAL A 85 1.260 -4.999 -8.790 1.00 0.00 H new ATOM 0 HG12 VAL A 85 0.966 -3.472 -9.656 1.00 0.00 H new ATOM 0 HG13 VAL A 85 0.131 -3.799 -8.119 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -0.363 -6.764 -8.749 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -1.531 -5.658 -7.989 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -1.981 -6.554 -9.459 1.00 0.00 H new ATOM 1410 N THR A 86 -2.947 -5.339 -11.582 1.00 0.00 N ATOM 1411 CA THR A 86 -4.023 -5.709 -12.513 1.00 0.00 C ATOM 1412 C THR A 86 -4.951 -6.751 -11.882 1.00 0.00 C ATOM 1413 O THR A 86 -6.148 -6.505 -11.732 1.00 0.00 O ATOM 1414 CB THR A 86 -3.503 -6.274 -13.842 1.00 0.00 C ATOM 1415 OG1 THR A 86 -2.560 -7.296 -13.618 1.00 0.00 O ATOM 1416 CG2 THR A 86 -2.799 -5.228 -14.686 1.00 0.00 C ATOM 0 H THR A 86 -2.640 -6.126 -11.011 1.00 0.00 H new ATOM 0 HA THR A 86 -4.562 -4.785 -12.721 1.00 0.00 H new ATOM 0 HB THR A 86 -4.386 -6.643 -14.363 1.00 0.00 H new ATOM 0 HG1 THR A 86 -2.243 -7.643 -14.478 1.00 0.00 H new ATOM 0 HG21 THR A 86 -2.452 -5.683 -15.614 1.00 0.00 H new ATOM 0 HG22 THR A 86 -3.492 -4.419 -14.915 1.00 0.00 H new ATOM 0 HG23 THR A 86 -1.946 -4.830 -14.136 1.00 0.00 H new ATOM 1424 N ASP A 87 -4.401 -7.915 -11.507 1.00 0.00 N ATOM 1425 CA ASP A 87 -5.194 -9.128 -11.225 1.00 0.00 C ATOM 1426 C ASP A 87 -4.607 -10.087 -10.161 1.00 0.00 C ATOM 1427 O ASP A 87 -5.361 -10.528 -9.293 1.00 0.00 O ATOM 1428 CB ASP A 87 -5.422 -9.867 -12.552 1.00 0.00 C ATOM 1429 CG ASP A 87 -6.530 -9.232 -13.409 1.00 0.00 C ATOM 1430 OD1 ASP A 87 -6.205 -8.593 -14.438 1.00 0.00 O ATOM 1431 OD2 ASP A 87 -7.725 -9.414 -13.076 1.00 0.00 O ATOM 0 H ASP A 87 -3.396 -8.046 -11.390 1.00 0.00 H new ATOM 0 HA ASP A 87 -6.128 -8.788 -10.778 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -4.492 -9.878 -13.120 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -5.681 -10.905 -12.344 1.00 0.00 H new ATOM 1436 N SER A 88 -3.298 -10.403 -10.160 1.00 0.00 N ATOM 1437 CA SER A 88 -2.658 -11.022 -8.973 1.00 0.00 C ATOM 1438 C SER A 88 -2.654 -10.043 -7.809 1.00 0.00 C ATOM 1439 O SER A 88 -2.174 -8.915 -7.924 1.00 0.00 O ATOM 1440 CB SER A 88 -1.223 -11.542 -9.154 1.00 0.00 C ATOM 1441 OG SER A 88 -0.719 -12.065 -7.931 1.00 0.00 O ATOM 0 H SER A 88 -2.670 -10.246 -10.948 1.00 0.00 H new ATOM 0 HA SER A 88 -3.273 -11.902 -8.787 1.00 0.00 H new ATOM 0 HB2 SER A 88 -1.206 -12.316 -9.921 1.00 0.00 H new ATOM 0 HB3 SER A 88 -0.579 -10.734 -9.502 1.00 0.00 H new ATOM 0 HG SER A 88 0.195 -12.392 -8.067 1.00 0.00 H new ATOM 1447 N SER A 89 -3.131 -10.508 -6.665 1.00 0.00 N ATOM 1448 CA SER A 89 -3.259 -9.712 -5.450 1.00 0.00 C ATOM 1449 C SER A 89 -2.182 -10.024 -4.408 1.00 0.00 C ATOM 1450 O SER A 89 -2.364 -9.741 -3.228 1.00 0.00 O ATOM 1451 CB SER A 89 -4.699 -9.818 -4.970 1.00 0.00 C ATOM 1452 OG SER A 89 -5.026 -11.162 -4.645 1.00 0.00 O ATOM 0 H SER A 89 -3.448 -11.471 -6.551 1.00 0.00 H new ATOM 0 HA SER A 89 -3.060 -8.661 -5.659 1.00 0.00 H new ATOM 0 HB2 SER A 89 -4.843 -9.183 -4.096 1.00 0.00 H new ATOM 0 HB3 SER A 89 -5.373 -9.452 -5.745 1.00 0.00 H new ATOM 0 HG SER A 89 -5.955 -11.207 -4.337 1.00 0.00 H new ATOM 1458 N ARG A 90 -1.023 -10.549 -4.857 1.00 0.00 N ATOM 1459 CA ARG A 90 0.254 -10.530 -4.108 1.00 0.00 C ATOM 1460 C ARG A 90 0.846 -9.110 -4.015 1.00 0.00 C ATOM 1461 O ARG A 90 1.633 -8.817 -3.110 1.00 0.00 O ATOM 1462 CB ARG A 90 1.248 -11.514 -4.766 1.00 0.00 C ATOM 1463 CG ARG A 90 2.555 -11.627 -3.964 1.00 0.00 C ATOM 1464 CD ARG A 90 3.550 -12.668 -4.490 1.00 0.00 C ATOM 1465 NE ARG A 90 4.766 -12.605 -3.661 1.00 0.00 N ATOM 1466 CZ ARG A 90 5.912 -13.237 -3.803 1.00 0.00 C ATOM 1467 NH1 ARG A 90 6.863 -12.975 -2.956 1.00 0.00 N ATOM 1468 NH2 ARG A 90 6.150 -14.107 -4.740 1.00 0.00 N ATOM 0 H ARG A 90 -0.945 -11.006 -5.766 1.00 0.00 H new ATOM 0 HA ARG A 90 0.060 -10.850 -3.084 1.00 0.00 H new ATOM 0 HB2 ARG A 90 0.785 -12.498 -4.848 1.00 0.00 H new ATOM 0 HB3 ARG A 90 1.471 -11.182 -5.780 1.00 0.00 H new ATOM 0 HG2 ARG A 90 3.043 -10.652 -3.954 1.00 0.00 H new ATOM 0 HG3 ARG A 90 2.309 -11.871 -2.930 1.00 0.00 H new ATOM 0 HD2 ARG A 90 3.113 -13.666 -4.448 1.00 0.00 H new ATOM 0 HD3 ARG A 90 3.791 -12.469 -5.534 1.00 0.00 H new ATOM 0 HE ARG A 90 4.712 -11.979 -2.858 1.00 0.00 H new ATOM 0 HH11 ARG A 90 6.709 -12.297 -2.210 1.00 0.00 H new ATOM 0 HH12 ARG A 90 7.763 -13.447 -3.038 1.00 0.00 H new ATOM 0 HH21 ARG A 90 5.425 -14.335 -5.421 1.00 0.00 H new ATOM 0 HH22 ARG A 90 7.061 -14.562 -4.794 1.00 0.00 H new ATOM 1482 N TYR A 91 0.464 -8.237 -4.948 1.00 0.00 N ATOM 1483 CA TYR A 91 0.981 -6.877 -5.096 1.00 0.00 C ATOM 1484 C TYR A 91 -0.119 -5.821 -5.007 1.00 0.00 C ATOM 1485 O TYR A 91 -1.290 -6.098 -5.274 1.00 0.00 O ATOM 1486 CB TYR A 91 1.666 -6.708 -6.458 1.00 0.00 C ATOM 1487 CG TYR A 91 2.532 -7.849 -6.921 1.00 0.00 C ATOM 1488 CD1 TYR A 91 2.020 -8.758 -7.864 1.00 0.00 C ATOM 1489 CD2 TYR A 91 3.842 -7.983 -6.432 1.00 0.00 C ATOM 1490 CE1 TYR A 91 2.824 -9.807 -8.333 1.00 0.00 C ATOM 1491 CE2 TYR A 91 4.646 -9.047 -6.884 1.00 0.00 C ATOM 1492 CZ TYR A 91 4.137 -9.959 -7.834 1.00 0.00 C ATOM 1493 OH TYR A 91 4.911 -10.984 -8.273 1.00 0.00 O ATOM 0 H TYR A 91 -0.241 -8.467 -5.648 1.00 0.00 H new ATOM 0 HA TYR A 91 1.686 -6.733 -4.277 1.00 0.00 H new ATOM 0 HB2 TYR A 91 0.894 -6.539 -7.209 1.00 0.00 H new ATOM 0 HB3 TYR A 91 2.279 -5.807 -6.422 1.00 0.00 H new ATOM 0 HD1 TYR A 91 1.009 -8.648 -8.227 1.00 0.00 H new ATOM 0 HD2 TYR A 91 4.230 -7.275 -5.714 1.00 0.00 H new ATOM 0 HE1 TYR A 91 2.441 -10.495 -9.072 1.00 0.00 H new ATOM 0 HE2 TYR A 91 5.650 -9.165 -6.505 1.00 0.00 H new ATOM 0 HH TYR A 91 5.786 -10.945 -7.833 1.00 0.00 H new ATOM 1503 N PHE A 92 0.301 -4.585 -4.743 1.00 0.00 N ATOM 1504 CA PHE A 92 -0.524 -3.381 -4.848 1.00 0.00 C ATOM 1505 C PHE A 92 0.283 -2.217 -5.424 1.00 0.00 C ATOM 1506 O PHE A 92 1.497 -2.310 -5.601 1.00 0.00 O ATOM 1507 CB PHE A 92 -1.110 -3.018 -3.476 1.00 0.00 C ATOM 1508 CG PHE A 92 -1.993 -4.113 -2.928 1.00 0.00 C ATOM 1509 CD1 PHE A 92 -1.466 -5.021 -1.997 1.00 0.00 C ATOM 1510 CD2 PHE A 92 -3.305 -4.279 -3.415 1.00 0.00 C ATOM 1511 CE1 PHE A 92 -2.254 -6.092 -1.552 1.00 0.00 C ATOM 1512 CE2 PHE A 92 -4.083 -5.367 -2.986 1.00 0.00 C ATOM 1513 CZ PHE A 92 -3.554 -6.280 -2.058 1.00 0.00 C ATOM 0 H PHE A 92 1.255 -4.387 -4.441 1.00 0.00 H new ATOM 0 HA PHE A 92 -1.348 -3.584 -5.532 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -0.298 -2.823 -2.776 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -1.686 -2.097 -3.561 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -0.460 -4.896 -1.626 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -3.713 -3.569 -4.119 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -1.861 -6.777 -0.816 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -5.084 -5.501 -3.368 1.00 0.00 H new ATOM 0 HZ PHE A 92 -4.144 -7.125 -1.734 1.00 0.00 H new ATOM 1523 N VAL A 93 -0.395 -1.106 -5.679 1.00 0.00 N ATOM 1524 CA VAL A 93 0.189 0.220 -5.882 1.00 0.00 C ATOM 1525 C VAL A 93 -0.487 1.185 -4.917 1.00 0.00 C ATOM 1526 O VAL A 93 -1.711 1.155 -4.792 1.00 0.00 O ATOM 1527 CB VAL A 93 0.025 0.678 -7.339 1.00 0.00 C ATOM 1528 CG1 VAL A 93 0.458 2.136 -7.531 1.00 0.00 C ATOM 1529 CG2 VAL A 93 0.864 -0.216 -8.258 1.00 0.00 C ATOM 0 H VAL A 93 -1.412 -1.101 -5.754 1.00 0.00 H new ATOM 0 HA VAL A 93 1.260 0.191 -5.683 1.00 0.00 H new ATOM 0 HB VAL A 93 -1.032 0.600 -7.591 1.00 0.00 H new ATOM 0 HG11 VAL A 93 0.326 2.420 -8.575 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -0.151 2.783 -6.899 1.00 0.00 H new ATOM 0 HG13 VAL A 93 1.507 2.243 -7.255 1.00 0.00 H new ATOM 0 HG21 VAL A 93 0.746 0.111 -9.291 1.00 0.00 H new ATOM 0 HG22 VAL A 93 1.914 -0.147 -7.973 1.00 0.00 H new ATOM 0 HG23 VAL A 93 0.530 -1.249 -8.164 1.00 0.00 H new ATOM 1539 N ILE A 94 0.288 2.042 -4.248 1.00 0.00 N ATOM 1540 CA ILE A 94 -0.236 3.102 -3.384 1.00 0.00 C ATOM 1541 C ILE A 94 0.371 4.467 -3.733 1.00 0.00 C ATOM 1542 O ILE A 94 1.520 4.564 -4.175 1.00 0.00 O ATOM 1543 CB ILE A 94 -0.113 2.755 -1.876 1.00 0.00 C ATOM 1544 CG1 ILE A 94 1.353 2.735 -1.402 1.00 0.00 C ATOM 1545 CG2 ILE A 94 -0.780 1.403 -1.547 1.00 0.00 C ATOM 1546 CD1 ILE A 94 1.467 2.681 0.122 1.00 0.00 C ATOM 0 H ILE A 94 1.307 2.019 -4.291 1.00 0.00 H new ATOM 0 HA ILE A 94 -1.305 3.176 -3.582 1.00 0.00 H new ATOM 0 HB ILE A 94 -0.636 3.547 -1.340 1.00 0.00 H new ATOM 0 HG12 ILE A 94 1.861 1.872 -1.833 1.00 0.00 H new ATOM 0 HG13 ILE A 94 1.865 3.624 -1.772 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -0.673 1.194 -0.482 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -1.838 1.447 -1.804 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -0.300 0.611 -2.122 1.00 0.00 H new ATOM 0 HD11 ILE A 94 2.519 2.669 0.408 1.00 0.00 H new ATOM 0 HD12 ILE A 94 0.984 3.557 0.554 1.00 0.00 H new ATOM 0 HD13 ILE A 94 0.980 1.779 0.492 1.00 0.00 H new ATOM 1558 N ARG A 95 -0.408 5.532 -3.511 1.00 0.00 N ATOM 1559 CA ARG A 95 0.012 6.936 -3.670 1.00 0.00 C ATOM 1560 C ARG A 95 0.415 7.495 -2.307 1.00 0.00 C ATOM 1561 O ARG A 95 -0.441 7.904 -1.525 1.00 0.00 O ATOM 1562 CB ARG A 95 -1.105 7.723 -4.384 1.00 0.00 C ATOM 1563 CG ARG A 95 -0.789 9.193 -4.722 1.00 0.00 C ATOM 1564 CD ARG A 95 -1.007 10.108 -3.510 1.00 0.00 C ATOM 1565 NE ARG A 95 -1.019 11.538 -3.861 1.00 0.00 N ATOM 1566 CZ ARG A 95 -2.004 12.256 -4.363 1.00 0.00 C ATOM 1567 NH1 ARG A 95 -1.806 13.523 -4.579 1.00 0.00 N ATOM 1568 NH2 ARG A 95 -3.172 11.756 -4.652 1.00 0.00 N ATOM 0 H ARG A 95 -1.377 5.442 -3.207 1.00 0.00 H new ATOM 0 HA ARG A 95 0.893 7.026 -4.305 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -1.353 7.204 -5.310 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -1.996 7.699 -3.757 1.00 0.00 H new ATOM 0 HG2 ARG A 95 0.244 9.276 -5.061 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -1.422 9.522 -5.546 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -1.952 9.849 -3.032 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -0.220 9.926 -2.779 1.00 0.00 H new ATOM 0 HE ARG A 95 -0.148 12.041 -3.693 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -0.902 13.942 -4.361 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -2.554 14.097 -4.967 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -3.357 10.766 -4.491 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -3.902 12.355 -5.039 1.00 0.00 H new ATOM 1582 N ILE A 96 1.714 7.502 -2.022 1.00 0.00 N ATOM 1583 CA ILE A 96 2.299 8.093 -0.809 1.00 0.00 C ATOM 1584 C ILE A 96 2.541 9.600 -0.976 1.00 0.00 C ATOM 1585 O ILE A 96 2.537 10.126 -2.092 1.00 0.00 O ATOM 1586 CB ILE A 96 3.601 7.361 -0.392 1.00 0.00 C ATOM 1587 CG1 ILE A 96 4.672 7.406 -1.501 1.00 0.00 C ATOM 1588 CG2 ILE A 96 3.311 5.909 0.026 1.00 0.00 C ATOM 1589 CD1 ILE A 96 6.083 7.139 -0.985 1.00 0.00 C ATOM 0 H ILE A 96 2.412 7.088 -2.640 1.00 0.00 H new ATOM 0 HA ILE A 96 1.574 7.963 -0.005 1.00 0.00 H new ATOM 0 HB ILE A 96 4.003 7.894 0.470 1.00 0.00 H new ATOM 0 HG12 ILE A 96 4.426 6.669 -2.265 1.00 0.00 H new ATOM 0 HG13 ILE A 96 4.647 8.384 -1.982 1.00 0.00 H new ATOM 0 HG21 ILE A 96 4.242 5.420 0.313 1.00 0.00 H new ATOM 0 HG22 ILE A 96 2.623 5.904 0.871 1.00 0.00 H new ATOM 0 HG23 ILE A 96 2.862 5.372 -0.810 1.00 0.00 H new ATOM 0 HD11 ILE A 96 6.789 7.185 -1.815 1.00 0.00 H new ATOM 0 HD12 ILE A 96 6.347 7.891 -0.242 1.00 0.00 H new ATOM 0 HD13 ILE A 96 6.123 6.150 -0.529 1.00 0.00 H new ATOM 1601 N GLN A 97 2.831 10.287 0.129 1.00 0.00 N ATOM 1602 CA GLN A 97 3.593 11.540 0.102 1.00 0.00 C ATOM 1603 C GLN A 97 5.068 11.316 0.445 1.00 0.00 C ATOM 1604 O GLN A 97 5.400 10.460 1.269 1.00 0.00 O ATOM 1605 CB GLN A 97 2.956 12.602 1.008 1.00 0.00 C ATOM 1606 CG GLN A 97 1.711 13.221 0.353 1.00 0.00 C ATOM 1607 CD GLN A 97 1.482 14.651 0.832 1.00 0.00 C ATOM 1608 OE1 GLN A 97 0.581 14.953 1.604 1.00 0.00 O ATOM 1609 NE2 GLN A 97 2.307 15.579 0.391 1.00 0.00 N ATOM 0 H GLN A 97 2.547 9.995 1.064 1.00 0.00 H new ATOM 0 HA GLN A 97 3.558 11.918 -0.920 1.00 0.00 H new ATOM 0 HB2 GLN A 97 2.682 12.152 1.962 1.00 0.00 H new ATOM 0 HB3 GLN A 97 3.684 13.385 1.222 1.00 0.00 H new ATOM 0 HG2 GLN A 97 1.826 13.213 -0.731 1.00 0.00 H new ATOM 0 HG3 GLN A 97 0.836 12.614 0.585 1.00 0.00 H new ATOM 0 HE21 GLN A 97 3.058 15.330 -0.252 1.00 0.00 H new ATOM 0 HE22 GLN A 97 2.194 16.547 0.693 1.00 0.00 H new ATOM 1682 N SER A 103 3.852 14.272 -3.777 1.00 0.00 N ATOM 1683 CA SER A 103 3.366 12.885 -3.834 1.00 0.00 C ATOM 1684 C SER A 103 4.302 11.969 -4.635 1.00 0.00 C ATOM 1685 O SER A 103 5.099 12.444 -5.451 1.00 0.00 O ATOM 1686 CB SER A 103 1.971 12.851 -4.463 1.00 0.00 C ATOM 1687 OG SER A 103 1.041 13.580 -3.676 1.00 0.00 O ATOM 0 HA SER A 103 3.333 12.514 -2.810 1.00 0.00 H new ATOM 0 HB2 SER A 103 2.011 13.271 -5.468 1.00 0.00 H new ATOM 0 HB3 SER A 103 1.638 11.818 -4.562 1.00 0.00 H new ATOM 0 HG SER A 103 1.513 14.276 -3.172 1.00 0.00 H new ATOM 1693 N ALA A 104 4.186 10.655 -4.436 1.00 0.00 N ATOM 1694 CA ALA A 104 4.839 9.621 -5.244 1.00 0.00 C ATOM 1695 C ALA A 104 4.009 8.327 -5.289 1.00 0.00 C ATOM 1696 O ALA A 104 3.332 7.976 -4.323 1.00 0.00 O ATOM 1697 CB ALA A 104 6.250 9.365 -4.693 1.00 0.00 C ATOM 0 H ALA A 104 3.617 10.268 -3.684 1.00 0.00 H new ATOM 0 HA ALA A 104 4.917 9.974 -6.272 1.00 0.00 H new ATOM 0 HB1 ALA A 104 6.740 8.596 -5.291 1.00 0.00 H new ATOM 0 HB2 ALA A 104 6.831 10.286 -4.739 1.00 0.00 H new ATOM 0 HB3 ALA A 104 6.181 9.031 -3.658 1.00 0.00 H new ATOM 1703 N PHE A 105 4.085 7.590 -6.399 1.00 0.00 N ATOM 1704 CA PHE A 105 3.516 6.244 -6.510 1.00 0.00 C ATOM 1705 C PHE A 105 4.586 5.175 -6.253 1.00 0.00 C ATOM 1706 O PHE A 105 5.675 5.217 -6.834 1.00 0.00 O ATOM 1707 CB PHE A 105 2.841 6.057 -7.873 1.00 0.00 C ATOM 1708 CG PHE A 105 1.828 7.137 -8.203 1.00 0.00 C ATOM 1709 CD1 PHE A 105 2.195 8.211 -9.036 1.00 0.00 C ATOM 1710 CD2 PHE A 105 0.538 7.099 -7.639 1.00 0.00 C ATOM 1711 CE1 PHE A 105 1.279 9.243 -9.304 1.00 0.00 C ATOM 1712 CE2 PHE A 105 -0.385 8.117 -7.932 1.00 0.00 C ATOM 1713 CZ PHE A 105 -0.017 9.193 -8.758 1.00 0.00 C ATOM 0 H PHE A 105 4.545 7.911 -7.251 1.00 0.00 H new ATOM 0 HA PHE A 105 2.750 6.126 -5.743 1.00 0.00 H new ATOM 0 HB2 PHE A 105 3.607 6.040 -8.649 1.00 0.00 H new ATOM 0 HB3 PHE A 105 2.345 5.087 -7.893 1.00 0.00 H new ATOM 0 HD1 PHE A 105 3.183 8.242 -9.470 1.00 0.00 H new ATOM 0 HD2 PHE A 105 0.259 6.288 -6.982 1.00 0.00 H new ATOM 0 HE1 PHE A 105 1.570 10.074 -9.929 1.00 0.00 H new ATOM 0 HE2 PHE A 105 -1.382 8.072 -7.520 1.00 0.00 H new ATOM 0 HZ PHE A 105 -0.726 9.979 -8.973 1.00 0.00 H new ATOM 1723 N ILE A 106 4.259 4.191 -5.415 1.00 0.00 N ATOM 1724 CA ILE A 106 5.057 2.970 -5.224 1.00 0.00 C ATOM 1725 C ILE A 106 4.213 1.719 -5.446 1.00 0.00 C ATOM 1726 O ILE A 106 3.055 1.649 -5.031 1.00 0.00 O ATOM 1727 CB ILE A 106 5.787 2.914 -3.858 1.00 0.00 C ATOM 1728 CG1 ILE A 106 4.794 2.938 -2.666 1.00 0.00 C ATOM 1729 CG2 ILE A 106 6.781 4.086 -3.752 1.00 0.00 C ATOM 1730 CD1 ILE A 106 5.417 2.820 -1.271 1.00 0.00 C ATOM 0 H ILE A 106 3.418 4.216 -4.838 1.00 0.00 H new ATOM 0 HA ILE A 106 5.839 3.003 -5.983 1.00 0.00 H new ATOM 0 HB ILE A 106 6.328 1.969 -3.806 1.00 0.00 H new ATOM 0 HG12 ILE A 106 4.225 3.867 -2.711 1.00 0.00 H new ATOM 0 HG13 ILE A 106 4.083 2.122 -2.795 1.00 0.00 H new ATOM 0 HG21 ILE A 106 7.292 4.043 -2.790 1.00 0.00 H new ATOM 0 HG22 ILE A 106 7.514 4.016 -4.556 1.00 0.00 H new ATOM 0 HG23 ILE A 106 6.241 5.029 -3.835 1.00 0.00 H new ATOM 0 HD11 ILE A 106 4.630 2.848 -0.517 1.00 0.00 H new ATOM 0 HD12 ILE A 106 5.960 1.878 -1.193 1.00 0.00 H new ATOM 0 HD13 ILE A 106 6.105 3.650 -1.108 1.00 0.00 H new ATOM 1742 N GLY A 107 4.818 0.711 -6.065 1.00 0.00 N ATOM 1743 CA GLY A 107 4.346 -0.663 -6.021 1.00 0.00 C ATOM 1744 C GLY A 107 4.744 -1.315 -4.699 1.00 0.00 C ATOM 1745 O GLY A 107 5.766 -0.972 -4.100 1.00 0.00 O ATOM 0 H GLY A 107 5.665 0.831 -6.621 1.00 0.00 H new ATOM 0 HA2 GLY A 107 3.262 -0.687 -6.135 1.00 0.00 H new ATOM 0 HA3 GLY A 107 4.766 -1.227 -6.854 1.00 0.00 H new ATOM 1749 N ILE A 108 3.944 -2.271 -4.246 1.00 0.00 N ATOM 1750 CA ILE A 108 4.212 -3.105 -3.073 1.00 0.00 C ATOM 1751 C ILE A 108 4.136 -4.573 -3.498 1.00 0.00 C ATOM 1752 O ILE A 108 3.268 -4.924 -4.293 1.00 0.00 O ATOM 1753 CB ILE A 108 3.226 -2.811 -1.916 1.00 0.00 C ATOM 1754 CG1 ILE A 108 3.230 -1.297 -1.601 1.00 0.00 C ATOM 1755 CG2 ILE A 108 3.636 -3.643 -0.692 1.00 0.00 C ATOM 1756 CD1 ILE A 108 2.542 -0.905 -0.292 1.00 0.00 C ATOM 0 H ILE A 108 3.058 -2.498 -4.698 1.00 0.00 H new ATOM 0 HA ILE A 108 5.208 -2.876 -2.693 1.00 0.00 H new ATOM 0 HB ILE A 108 2.211 -3.088 -2.200 1.00 0.00 H new ATOM 0 HG12 ILE A 108 4.263 -0.951 -1.568 1.00 0.00 H new ATOM 0 HG13 ILE A 108 2.743 -0.770 -2.421 1.00 0.00 H new ATOM 0 HG21 ILE A 108 2.948 -3.444 0.130 1.00 0.00 H new ATOM 0 HG22 ILE A 108 3.603 -4.703 -0.945 1.00 0.00 H new ATOM 0 HG23 ILE A 108 4.648 -3.373 -0.391 1.00 0.00 H new ATOM 0 HD11 ILE A 108 2.598 0.176 -0.161 1.00 0.00 H new ATOM 0 HD12 ILE A 108 1.497 -1.213 -0.324 1.00 0.00 H new ATOM 0 HD13 ILE A 108 3.041 -1.398 0.543 1.00 0.00 H new ATOM 1768 N GLY A 109 4.988 -5.433 -2.943 1.00 0.00 N ATOM 1769 CA GLY A 109 4.897 -6.889 -3.070 1.00 0.00 C ATOM 1770 C GLY A 109 5.189 -7.586 -1.744 1.00 0.00 C ATOM 1771 O GLY A 109 6.201 -7.321 -1.093 1.00 0.00 O ATOM 0 H GLY A 109 5.781 -5.130 -2.378 1.00 0.00 H new ATOM 0 HA2 GLY A 109 3.900 -7.163 -3.415 1.00 0.00 H new ATOM 0 HA3 GLY A 109 5.602 -7.234 -3.826 1.00 0.00 H new ATOM 1775 N PHE A 110 4.289 -8.476 -1.334 1.00 0.00 N ATOM 1776 CA PHE A 110 4.396 -9.215 -0.073 1.00 0.00 C ATOM 1777 C PHE A 110 5.165 -10.533 -0.215 1.00 0.00 C ATOM 1778 O PHE A 110 5.364 -11.066 -1.311 1.00 0.00 O ATOM 1779 CB PHE A 110 2.994 -9.440 0.501 1.00 0.00 C ATOM 1780 CG PHE A 110 2.360 -8.199 1.106 1.00 0.00 C ATOM 1781 CD1 PHE A 110 1.873 -7.151 0.295 1.00 0.00 C ATOM 1782 CD2 PHE A 110 2.261 -8.093 2.506 1.00 0.00 C ATOM 1783 CE1 PHE A 110 1.297 -6.013 0.884 1.00 0.00 C ATOM 1784 CE2 PHE A 110 1.663 -6.967 3.094 1.00 0.00 C ATOM 1785 CZ PHE A 110 1.194 -5.920 2.282 1.00 0.00 C ATOM 0 H PHE A 110 3.454 -8.709 -1.872 1.00 0.00 H new ATOM 0 HA PHE A 110 4.980 -8.611 0.621 1.00 0.00 H new ATOM 0 HB2 PHE A 110 2.346 -9.816 -0.291 1.00 0.00 H new ATOM 0 HB3 PHE A 110 3.047 -10.216 1.265 1.00 0.00 H new ATOM 0 HD1 PHE A 110 1.943 -7.224 -0.780 1.00 0.00 H new ATOM 0 HD2 PHE A 110 2.648 -8.883 3.132 1.00 0.00 H new ATOM 0 HE1 PHE A 110 0.933 -5.209 0.262 1.00 0.00 H new ATOM 0 HE2 PHE A 110 1.564 -6.906 4.168 1.00 0.00 H new ATOM 0 HZ PHE A 110 0.754 -5.043 2.733 1.00 0.00 H new ATOM 1795 N THR A 111 5.558 -11.094 0.929 1.00 0.00 N ATOM 1796 CA THR A 111 6.206 -12.410 1.023 1.00 0.00 C ATOM 1797 C THR A 111 5.234 -13.572 0.772 1.00 0.00 C ATOM 1798 O THR A 111 5.655 -14.678 0.435 1.00 0.00 O ATOM 1799 CB THR A 111 6.915 -12.526 2.378 1.00 0.00 C ATOM 1800 OG1 THR A 111 7.906 -13.533 2.353 1.00 0.00 O ATOM 1801 CG2 THR A 111 5.984 -12.786 3.562 1.00 0.00 C ATOM 0 H THR A 111 5.434 -10.641 1.835 1.00 0.00 H new ATOM 0 HA THR A 111 6.947 -12.486 0.228 1.00 0.00 H new ATOM 0 HB THR A 111 7.365 -11.545 2.532 1.00 0.00 H new ATOM 0 HG1 THR A 111 8.343 -13.584 3.229 1.00 0.00 H new ATOM 0 HG21 THR A 111 6.571 -12.853 4.478 1.00 0.00 H new ATOM 0 HG22 THR A 111 5.269 -11.968 3.649 1.00 0.00 H new ATOM 0 HG23 THR A 111 5.448 -13.722 3.405 1.00 0.00 H new ATOM 1809 N ASP A 112 3.929 -13.311 0.906 1.00 0.00 N ATOM 1810 CA ASP A 112 2.841 -14.270 0.683 1.00 0.00 C ATOM 1811 C ASP A 112 1.613 -13.626 0.005 1.00 0.00 C ATOM 1812 O ASP A 112 1.249 -12.488 0.321 1.00 0.00 O ATOM 1813 CB ASP A 112 2.443 -14.899 2.032 1.00 0.00 C ATOM 1814 CG ASP A 112 1.785 -16.274 1.841 1.00 0.00 C ATOM 1815 OD1 ASP A 112 0.588 -16.316 1.480 1.00 0.00 O ATOM 1816 OD2 ASP A 112 2.468 -17.309 2.029 1.00 0.00 O ATOM 0 H ASP A 112 3.588 -12.390 1.183 1.00 0.00 H new ATOM 0 HA ASP A 112 3.204 -15.039 0.000 1.00 0.00 H new ATOM 0 HB2 ASP A 112 3.327 -15.002 2.661 1.00 0.00 H new ATOM 0 HB3 ASP A 112 1.755 -14.235 2.555 1.00 0.00 H new ATOM 1821 N ARG A 113 0.921 -14.380 -0.866 1.00 0.00 N ATOM 1822 CA ARG A 113 -0.409 -14.031 -1.415 1.00 0.00 C ATOM 1823 C ARG A 113 -1.414 -13.696 -0.307 1.00 0.00 C ATOM 1824 O ARG A 113 -2.167 -12.737 -0.440 1.00 0.00 O ATOM 1825 CB ARG A 113 -0.952 -15.215 -2.251 1.00 0.00 C ATOM 1826 CG ARG A 113 -0.829 -15.044 -3.773 1.00 0.00 C ATOM 1827 CD ARG A 113 -1.906 -14.113 -4.356 1.00 0.00 C ATOM 1828 NE ARG A 113 -1.785 -14.011 -5.824 1.00 0.00 N ATOM 1829 CZ ARG A 113 -2.249 -14.843 -6.743 1.00 0.00 C ATOM 1830 NH1 ARG A 113 -1.872 -14.665 -7.972 1.00 0.00 N ATOM 1831 NH2 ARG A 113 -3.066 -15.823 -6.483 1.00 0.00 N ATOM 0 H ARG A 113 1.275 -15.269 -1.218 1.00 0.00 H new ATOM 0 HA ARG A 113 -0.287 -13.147 -2.041 1.00 0.00 H new ATOM 0 HB2 ARG A 113 -0.421 -16.121 -1.958 1.00 0.00 H new ATOM 0 HB3 ARG A 113 -2.002 -15.366 -2.001 1.00 0.00 H new ATOM 0 HG2 ARG A 113 0.157 -14.645 -4.011 1.00 0.00 H new ATOM 0 HG3 ARG A 113 -0.902 -16.021 -4.251 1.00 0.00 H new ATOM 0 HD2 ARG A 113 -2.895 -14.489 -4.095 1.00 0.00 H new ATOM 0 HD3 ARG A 113 -1.814 -13.122 -3.911 1.00 0.00 H new ATOM 0 HE ARG A 113 -1.280 -13.197 -6.174 1.00 0.00 H new ATOM 0 HH11 ARG A 113 -1.237 -13.902 -8.205 1.00 0.00 H new ATOM 0 HH12 ARG A 113 -2.211 -15.288 -8.705 1.00 0.00 H new ATOM 0 HH21 ARG A 113 -3.383 -15.983 -5.527 1.00 0.00 H new ATOM 0 HH22 ARG A 113 -3.389 -16.431 -7.236 1.00 0.00 H new ATOM 1845 N GLY A 114 -1.405 -14.453 0.790 1.00 0.00 N ATOM 1846 CA GLY A 114 -2.287 -14.261 1.941 1.00 0.00 C ATOM 1847 C GLY A 114 -1.998 -12.986 2.733 1.00 0.00 C ATOM 1848 O GLY A 114 -2.928 -12.289 3.133 1.00 0.00 O ATOM 0 H GLY A 114 -0.766 -15.239 0.906 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -3.320 -14.236 1.595 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -2.194 -15.120 2.606 1.00 0.00 H new ATOM 1852 N ASP A 115 -0.725 -12.618 2.901 1.00 0.00 N ATOM 1853 CA ASP A 115 -0.361 -11.385 3.613 1.00 0.00 C ATOM 1854 C ASP A 115 -0.801 -10.129 2.843 1.00 0.00 C ATOM 1855 O ASP A 115 -1.280 -9.168 3.447 1.00 0.00 O ATOM 1856 CB ASP A 115 1.134 -11.373 3.962 1.00 0.00 C ATOM 1857 CG ASP A 115 1.498 -12.402 5.047 1.00 0.00 C ATOM 1858 OD1 ASP A 115 0.706 -12.578 6.004 1.00 0.00 O ATOM 1859 OD2 ASP A 115 2.591 -13.006 4.964 1.00 0.00 O ATOM 0 H ASP A 115 0.071 -13.154 2.555 1.00 0.00 H new ATOM 0 HA ASP A 115 -0.908 -11.367 4.556 1.00 0.00 H new ATOM 0 HB2 ASP A 115 1.715 -11.578 3.063 1.00 0.00 H new ATOM 0 HB3 ASP A 115 1.416 -10.377 4.303 1.00 0.00 H new ATOM 1864 N ALA A 116 -0.749 -10.179 1.510 1.00 0.00 N ATOM 1865 CA ALA A 116 -1.301 -9.147 0.639 1.00 0.00 C ATOM 1866 C ALA A 116 -2.843 -9.174 0.563 1.00 0.00 C ATOM 1867 O ALA A 116 -3.494 -8.130 0.597 1.00 0.00 O ATOM 1868 CB ALA A 116 -0.683 -9.349 -0.740 1.00 0.00 C ATOM 0 H ALA A 116 -0.316 -10.950 1.001 1.00 0.00 H new ATOM 0 HA ALA A 116 -1.055 -8.167 1.047 1.00 0.00 H new ATOM 0 HB1 ALA A 116 -1.070 -8.595 -1.426 1.00 0.00 H new ATOM 0 HB2 ALA A 116 0.401 -9.254 -0.670 1.00 0.00 H new ATOM 0 HB3 ALA A 116 -0.937 -10.342 -1.111 1.00 0.00 H new ATOM 1874 N PHE A 117 -3.465 -10.355 0.540 1.00 0.00 N ATOM 1875 CA PHE A 117 -4.922 -10.487 0.626 1.00 0.00 C ATOM 1876 C PHE A 117 -5.475 -9.830 1.906 1.00 0.00 C ATOM 1877 O PHE A 117 -6.526 -9.190 1.871 1.00 0.00 O ATOM 1878 CB PHE A 117 -5.275 -11.974 0.550 1.00 0.00 C ATOM 1879 CG PHE A 117 -6.752 -12.274 0.404 1.00 0.00 C ATOM 1880 CD1 PHE A 117 -7.598 -12.251 1.530 1.00 0.00 C ATOM 1881 CD2 PHE A 117 -7.275 -12.618 -0.857 1.00 0.00 C ATOM 1882 CE1 PHE A 117 -8.958 -12.584 1.400 1.00 0.00 C ATOM 1883 CE2 PHE A 117 -8.628 -12.959 -0.978 1.00 0.00 C ATOM 1884 CZ PHE A 117 -9.474 -12.945 0.144 1.00 0.00 C ATOM 0 H PHE A 117 -2.974 -11.246 0.461 1.00 0.00 H new ATOM 0 HA PHE A 117 -5.389 -9.962 -0.207 1.00 0.00 H new ATOM 0 HB2 PHE A 117 -4.745 -12.415 -0.294 1.00 0.00 H new ATOM 0 HB3 PHE A 117 -4.907 -12.466 1.450 1.00 0.00 H new ATOM 0 HD1 PHE A 117 -7.201 -11.977 2.496 1.00 0.00 H new ATOM 0 HD2 PHE A 117 -6.636 -12.619 -1.727 1.00 0.00 H new ATOM 0 HE1 PHE A 117 -9.605 -12.562 2.264 1.00 0.00 H new ATOM 0 HE2 PHE A 117 -9.025 -13.236 -1.943 1.00 0.00 H new ATOM 0 HZ PHE A 117 -10.516 -13.210 0.041 1.00 0.00 H new ATOM 1894 N ASP A 118 -4.742 -9.897 3.022 1.00 0.00 N ATOM 1895 CA ASP A 118 -5.136 -9.254 4.275 1.00 0.00 C ATOM 1896 C ASP A 118 -4.906 -7.734 4.255 1.00 0.00 C ATOM 1897 O ASP A 118 -5.691 -6.999 4.856 1.00 0.00 O ATOM 1898 CB ASP A 118 -4.394 -9.883 5.456 1.00 0.00 C ATOM 1899 CG ASP A 118 -4.801 -11.333 5.760 1.00 0.00 C ATOM 1900 OD1 ASP A 118 -3.911 -12.146 6.118 1.00 0.00 O ATOM 1901 OD2 ASP A 118 -6.007 -11.660 5.690 1.00 0.00 O ATOM 0 H ASP A 118 -3.857 -10.401 3.080 1.00 0.00 H new ATOM 0 HA ASP A 118 -6.207 -9.417 4.391 1.00 0.00 H new ATOM 0 HB2 ASP A 118 -3.323 -9.853 5.254 1.00 0.00 H new ATOM 0 HB3 ASP A 118 -4.568 -9.276 6.344 1.00 0.00 H new ATOM 1906 N PHE A 119 -3.899 -7.239 3.521 1.00 0.00 N ATOM 1907 CA PHE A 119 -3.743 -5.805 3.254 1.00 0.00 C ATOM 1908 C PHE A 119 -5.000 -5.245 2.565 1.00 0.00 C ATOM 1909 O PHE A 119 -5.522 -4.203 2.964 1.00 0.00 O ATOM 1910 CB PHE A 119 -2.458 -5.561 2.435 1.00 0.00 C ATOM 1911 CG PHE A 119 -2.314 -4.189 1.793 1.00 0.00 C ATOM 1912 CD1 PHE A 119 -2.997 -3.869 0.603 1.00 0.00 C ATOM 1913 CD2 PHE A 119 -1.456 -3.234 2.356 1.00 0.00 C ATOM 1914 CE1 PHE A 119 -2.848 -2.601 0.009 1.00 0.00 C ATOM 1915 CE2 PHE A 119 -1.348 -1.955 1.798 1.00 0.00 C ATOM 1916 CZ PHE A 119 -2.040 -1.633 0.622 1.00 0.00 C ATOM 0 H PHE A 119 -3.174 -7.819 3.099 1.00 0.00 H new ATOM 0 HA PHE A 119 -3.636 -5.266 4.196 1.00 0.00 H new ATOM 0 HB2 PHE A 119 -1.601 -5.724 3.088 1.00 0.00 H new ATOM 0 HB3 PHE A 119 -2.407 -6.313 1.648 1.00 0.00 H new ATOM 0 HD1 PHE A 119 -3.641 -4.603 0.142 1.00 0.00 H new ATOM 0 HD2 PHE A 119 -0.873 -3.488 3.229 1.00 0.00 H new ATOM 0 HE1 PHE A 119 -3.355 -2.375 -0.917 1.00 0.00 H new ATOM 0 HE2 PHE A 119 -0.728 -1.211 2.276 1.00 0.00 H new ATOM 0 HZ PHE A 119 -1.951 -0.647 0.191 1.00 0.00 H new ATOM 1926 N ASN A 120 -5.541 -5.986 1.593 1.00 0.00 N ATOM 1927 CA ASN A 120 -6.785 -5.652 0.900 1.00 0.00 C ATOM 1928 C ASN A 120 -8.005 -5.775 1.821 1.00 0.00 C ATOM 1929 O ASN A 120 -8.830 -4.862 1.860 1.00 0.00 O ATOM 1930 CB ASN A 120 -6.882 -6.523 -0.365 1.00 0.00 C ATOM 1931 CG ASN A 120 -8.280 -6.967 -0.749 1.00 0.00 C ATOM 1932 OD1 ASN A 120 -9.098 -6.067 -1.226 1.00 0.00 O flip ATOM 1933 ND2 ASN A 120 -8.654 -8.123 -0.635 1.00 0.00 N flip ATOM 0 H ASN A 120 -5.116 -6.852 1.261 1.00 0.00 H new ATOM 0 HA ASN A 120 -6.775 -4.605 0.598 1.00 0.00 H new ATOM 0 HB2 ASN A 120 -6.454 -5.968 -1.200 1.00 0.00 H new ATOM 0 HB3 ASN A 120 -6.265 -7.410 -0.222 1.00 0.00 H new ATOM 0 HD21 ASN A 120 -8.020 -8.830 -0.263 1.00 0.00 H new ATOM 0 HD22 ASN A 120 -9.601 -8.382 -0.912 1.00 0.00 H new ATOM 1940 N VAL A 121 -8.129 -6.860 2.588 1.00 0.00 N ATOM 1941 CA VAL A 121 -9.331 -7.094 3.401 1.00 0.00 C ATOM 1942 C VAL A 121 -9.471 -6.097 4.551 1.00 0.00 C ATOM 1943 O VAL A 121 -10.585 -5.709 4.901 1.00 0.00 O ATOM 1944 CB VAL A 121 -9.392 -8.556 3.879 1.00 0.00 C ATOM 1945 CG1 VAL A 121 -8.822 -8.803 5.278 1.00 0.00 C ATOM 1946 CG2 VAL A 121 -10.828 -9.073 3.811 1.00 0.00 C ATOM 0 H VAL A 121 -7.419 -7.588 2.665 1.00 0.00 H new ATOM 0 HA VAL A 121 -10.195 -6.920 2.759 1.00 0.00 H new ATOM 0 HB VAL A 121 -8.746 -9.107 3.195 1.00 0.00 H new ATOM 0 HG11 VAL A 121 -8.910 -9.861 5.525 1.00 0.00 H new ATOM 0 HG12 VAL A 121 -7.772 -8.511 5.300 1.00 0.00 H new ATOM 0 HG13 VAL A 121 -9.378 -8.213 6.007 1.00 0.00 H new ATOM 0 HG21 VAL A 121 -10.859 -10.108 4.151 1.00 0.00 H new ATOM 0 HG22 VAL A 121 -11.465 -8.462 4.450 1.00 0.00 H new ATOM 0 HG23 VAL A 121 -11.186 -9.019 2.783 1.00 0.00 H new ATOM 1956 N SER A 122 -8.341 -5.612 5.076 1.00 0.00 N ATOM 1957 CA SER A 122 -8.279 -4.556 6.096 1.00 0.00 C ATOM 1958 C SER A 122 -8.792 -3.205 5.584 1.00 0.00 C ATOM 1959 O SER A 122 -9.166 -2.348 6.382 1.00 0.00 O ATOM 1960 CB SER A 122 -6.837 -4.386 6.579 1.00 0.00 C ATOM 1961 OG SER A 122 -6.344 -5.608 7.097 1.00 0.00 O ATOM 0 H SER A 122 -7.420 -5.950 4.797 1.00 0.00 H new ATOM 0 HA SER A 122 -8.928 -4.870 6.914 1.00 0.00 H new ATOM 0 HB2 SER A 122 -6.207 -4.053 5.754 1.00 0.00 H new ATOM 0 HB3 SER A 122 -6.792 -3.614 7.347 1.00 0.00 H new ATOM 0 HG SER A 122 -6.153 -6.223 6.358 1.00 0.00 H new ATOM 1967 N LEU A 123 -8.836 -3.022 4.260 1.00 0.00 N ATOM 1968 CA LEU A 123 -9.397 -1.851 3.583 1.00 0.00 C ATOM 1969 C LEU A 123 -10.835 -2.113 3.120 1.00 0.00 C ATOM 1970 O LEU A 123 -11.694 -1.257 3.312 1.00 0.00 O ATOM 1971 CB LEU A 123 -8.478 -1.459 2.417 1.00 0.00 C ATOM 1972 CG LEU A 123 -7.064 -1.053 2.873 1.00 0.00 C ATOM 1973 CD1 LEU A 123 -6.108 -1.149 1.693 1.00 0.00 C ATOM 1974 CD2 LEU A 123 -7.045 0.369 3.439 1.00 0.00 C ATOM 0 H LEU A 123 -8.467 -3.713 3.607 1.00 0.00 H new ATOM 0 HA LEU A 123 -9.448 -1.016 4.282 1.00 0.00 H new ATOM 0 HB2 LEU A 123 -8.403 -2.297 1.724 1.00 0.00 H new ATOM 0 HB3 LEU A 123 -8.929 -0.631 1.869 1.00 0.00 H new ATOM 0 HG LEU A 123 -6.751 -1.733 3.665 1.00 0.00 H new ATOM 0 HD11 LEU A 123 -5.106 -0.862 2.012 1.00 0.00 H new ATOM 0 HD12 LEU A 123 -6.091 -2.173 1.321 1.00 0.00 H new ATOM 0 HD13 LEU A 123 -6.441 -0.480 0.899 1.00 0.00 H new ATOM 0 HD21 LEU A 123 -6.032 0.623 3.751 1.00 0.00 H new ATOM 0 HD22 LEU A 123 -7.375 1.070 2.672 1.00 0.00 H new ATOM 0 HD23 LEU A 123 -7.715 0.428 4.297 1.00 0.00 H new ATOM 1986 N GLN A 124 -11.142 -3.313 2.608 1.00 0.00 N ATOM 1987 CA GLN A 124 -12.517 -3.711 2.287 1.00 0.00 C ATOM 1988 C GLN A 124 -13.425 -3.568 3.514 1.00 0.00 C ATOM 1989 O GLN A 124 -14.364 -2.781 3.482 1.00 0.00 O ATOM 1990 CB GLN A 124 -12.584 -5.151 1.757 1.00 0.00 C ATOM 1991 CG GLN A 124 -12.033 -5.264 0.333 1.00 0.00 C ATOM 1992 CD GLN A 124 -12.131 -6.678 -0.237 1.00 0.00 C ATOM 1993 OE1 GLN A 124 -12.171 -7.679 0.464 1.00 0.00 O ATOM 1994 NE2 GLN A 124 -12.148 -6.819 -1.548 1.00 0.00 N ATOM 0 H GLN A 124 -10.447 -4.031 2.406 1.00 0.00 H new ATOM 0 HA GLN A 124 -12.869 -3.043 1.501 1.00 0.00 H new ATOM 0 HB2 GLN A 124 -12.018 -5.807 2.418 1.00 0.00 H new ATOM 0 HB3 GLN A 124 -13.618 -5.496 1.774 1.00 0.00 H new ATOM 0 HG2 GLN A 124 -12.577 -4.578 -0.316 1.00 0.00 H new ATOM 0 HG3 GLN A 124 -10.990 -4.948 0.327 1.00 0.00 H new ATOM 0 HE21 GLN A 124 -12.115 -5.996 -2.150 1.00 0.00 H new ATOM 0 HE22 GLN A 124 -12.194 -7.751 -1.960 1.00 0.00 H new ATOM 2003 N ASP A 125 -13.105 -4.232 4.631 1.00 0.00 N ATOM 2004 CA ASP A 125 -13.865 -4.162 5.894 1.00 0.00 C ATOM 2005 C ASP A 125 -13.854 -2.764 6.536 1.00 0.00 C ATOM 2006 O ASP A 125 -14.689 -2.487 7.393 1.00 0.00 O ATOM 2007 CB ASP A 125 -13.241 -5.179 6.862 1.00 0.00 C ATOM 2008 CG ASP A 125 -14.031 -5.403 8.161 1.00 0.00 C ATOM 2009 OD1 ASP A 125 -13.606 -4.913 9.233 1.00 0.00 O ATOM 2010 OD2 ASP A 125 -15.053 -6.129 8.114 1.00 0.00 O ATOM 0 H ASP A 125 -12.294 -4.847 4.688 1.00 0.00 H new ATOM 0 HA ASP A 125 -14.910 -4.386 5.679 1.00 0.00 H new ATOM 0 HB2 ASP A 125 -13.139 -6.134 6.347 1.00 0.00 H new ATOM 0 HB3 ASP A 125 -12.235 -4.846 7.118 1.00 0.00 H new ATOM 2015 N HIS A 126 -12.957 -1.869 6.108 1.00 0.00 N ATOM 2016 CA HIS A 126 -12.919 -0.474 6.563 1.00 0.00 C ATOM 2017 C HIS A 126 -13.840 0.448 5.749 1.00 0.00 C ATOM 2018 O HIS A 126 -14.391 1.390 6.313 1.00 0.00 O ATOM 2019 CB HIS A 126 -11.476 0.045 6.582 1.00 0.00 C ATOM 2020 CG HIS A 126 -11.381 1.503 6.960 1.00 0.00 C ATOM 2021 ND1 HIS A 126 -11.104 2.544 6.072 1.00 0.00 N ATOM 2022 CD2 HIS A 126 -11.636 2.032 8.192 1.00 0.00 C ATOM 2023 CE1 HIS A 126 -11.200 3.677 6.786 1.00 0.00 C ATOM 2024 NE2 HIS A 126 -11.522 3.399 8.059 1.00 0.00 N ATOM 0 H HIS A 126 -12.230 -2.094 5.429 1.00 0.00 H new ATOM 0 HA HIS A 126 -13.307 -0.459 7.581 1.00 0.00 H new ATOM 0 HB2 HIS A 126 -10.892 -0.547 7.287 1.00 0.00 H new ATOM 0 HB3 HIS A 126 -11.030 -0.100 5.598 1.00 0.00 H new ATOM 0 HD1 HIS A 126 -10.875 2.461 5.082 1.00 0.00 H new ATOM 0 HD2 HIS A 126 -11.879 1.487 9.092 1.00 0.00 H new ATOM 0 HE1 HIS A 126 -11.041 4.670 6.392 1.00 0.00 H new ATOM 0 HE2 HIS A 126 -11.659 4.084 8.802 1.00 0.00 H new ATOM 2032 N PHE A 127 -14.071 0.158 4.463 1.00 0.00 N ATOM 2033 CA PHE A 127 -14.940 0.960 3.585 1.00 0.00 C ATOM 2034 C PHE A 127 -16.342 0.354 3.404 1.00 0.00 C ATOM 2035 O PHE A 127 -17.291 1.058 3.057 1.00 0.00 O ATOM 2036 CB PHE A 127 -14.217 1.260 2.264 1.00 0.00 C ATOM 2037 CG PHE A 127 -13.174 2.354 2.419 1.00 0.00 C ATOM 2038 CD1 PHE A 127 -13.579 3.700 2.510 1.00 0.00 C ATOM 2039 CD2 PHE A 127 -11.808 2.036 2.545 1.00 0.00 C ATOM 2040 CE1 PHE A 127 -12.627 4.709 2.734 1.00 0.00 C ATOM 2041 CE2 PHE A 127 -10.853 3.047 2.747 1.00 0.00 C ATOM 2042 CZ PHE A 127 -11.266 4.384 2.851 1.00 0.00 C ATOM 0 H PHE A 127 -13.657 -0.648 3.995 1.00 0.00 H new ATOM 0 HA PHE A 127 -15.132 1.914 4.075 1.00 0.00 H new ATOM 0 HB2 PHE A 127 -13.737 0.352 1.899 1.00 0.00 H new ATOM 0 HB3 PHE A 127 -14.947 1.559 1.512 1.00 0.00 H new ATOM 0 HD1 PHE A 127 -14.623 3.957 2.407 1.00 0.00 H new ATOM 0 HD2 PHE A 127 -11.491 1.005 2.486 1.00 0.00 H new ATOM 0 HE1 PHE A 127 -12.943 5.738 2.816 1.00 0.00 H new ATOM 0 HE2 PHE A 127 -9.805 2.796 2.822 1.00 0.00 H new ATOM 0 HZ PHE A 127 -10.537 5.163 3.021 1.00 0.00 H new ATOM 2052 N LYS A 128 -16.488 -0.932 3.739 1.00 0.00 N ATOM 2053 CA LYS A 128 -17.706 -1.757 3.775 1.00 0.00 C ATOM 2054 C LYS A 128 -18.907 -1.110 4.484 1.00 0.00 C ATOM 2055 O LYS A 128 -20.045 -1.300 4.055 1.00 0.00 O ATOM 2056 CB LYS A 128 -17.259 -3.080 4.428 1.00 0.00 C ATOM 2057 CG LYS A 128 -18.347 -4.064 4.846 1.00 0.00 C ATOM 2058 CD LYS A 128 -18.739 -3.971 6.330 1.00 0.00 C ATOM 2059 CE LYS A 128 -17.696 -4.558 7.288 1.00 0.00 C ATOM 2060 NZ LYS A 128 -17.627 -6.040 7.216 1.00 0.00 N ATOM 0 H LYS A 128 -15.675 -1.479 4.021 1.00 0.00 H new ATOM 0 HA LYS A 128 -18.100 -1.901 2.769 1.00 0.00 H new ATOM 0 HB2 LYS A 128 -16.594 -3.591 3.732 1.00 0.00 H new ATOM 0 HB3 LYS A 128 -16.669 -2.836 5.312 1.00 0.00 H new ATOM 0 HG2 LYS A 128 -19.233 -3.891 4.235 1.00 0.00 H new ATOM 0 HG3 LYS A 128 -18.007 -5.078 4.634 1.00 0.00 H new ATOM 0 HD2 LYS A 128 -18.905 -2.925 6.587 1.00 0.00 H new ATOM 0 HD3 LYS A 128 -19.686 -4.490 6.478 1.00 0.00 H new ATOM 0 HE2 LYS A 128 -16.717 -4.140 7.054 1.00 0.00 H new ATOM 0 HE3 LYS A 128 -17.935 -4.258 8.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 -16.647 -6.350 7.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 -18.242 -6.452 7.947 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 -17.944 -6.357 6.278 1.00 0.00 H new ATOM 2074 N TRP A 129 -18.662 -0.348 5.550 1.00 0.00 N ATOM 2075 CA TRP A 129 -19.685 0.312 6.387 1.00 0.00 C ATOM 2076 C TRP A 129 -19.787 1.839 6.163 1.00 0.00 C ATOM 2077 O TRP A 129 -20.473 2.543 6.907 1.00 0.00 O ATOM 2078 CB TRP A 129 -19.452 -0.103 7.849 1.00 0.00 C ATOM 2079 CG TRP A 129 -18.061 0.121 8.350 1.00 0.00 C ATOM 2080 CD1 TRP A 129 -17.033 -0.757 8.268 1.00 0.00 C ATOM 2081 CD2 TRP A 129 -17.499 1.337 8.928 1.00 0.00 C ATOM 2082 NE1 TRP A 129 -15.888 -0.167 8.749 1.00 0.00 N ATOM 2083 CE2 TRP A 129 -16.100 1.140 9.134 1.00 0.00 C ATOM 2084 CE3 TRP A 129 -18.029 2.607 9.235 1.00 0.00 C ATOM 2085 CZ2 TRP A 129 -15.262 2.168 9.596 1.00 0.00 C ATOM 2086 CZ3 TRP A 129 -17.195 3.652 9.680 1.00 0.00 C ATOM 2087 CH2 TRP A 129 -15.814 3.437 9.854 1.00 0.00 C ATOM 0 H TRP A 129 -17.713 -0.162 5.873 1.00 0.00 H new ATOM 0 HA TRP A 129 -20.674 -0.032 6.083 1.00 0.00 H new ATOM 0 HB2 TRP A 129 -20.145 0.449 8.484 1.00 0.00 H new ATOM 0 HB3 TRP A 129 -19.696 -1.160 7.955 1.00 0.00 H new ATOM 0 HD1 TRP A 129 -17.102 -1.764 7.884 1.00 0.00 H new ATOM 0 HE1 TRP A 129 -14.987 -0.641 8.814 1.00 0.00 H new ATOM 0 HE3 TRP A 129 -19.089 2.781 9.128 1.00 0.00 H new ATOM 0 HZ2 TRP A 129 -14.209 1.987 9.751 1.00 0.00 H new ATOM 0 HZ3 TRP A 129 -17.617 4.624 9.889 1.00 0.00 H new ATOM 0 HH2 TRP A 129 -15.179 4.245 10.185 1.00 0.00 H new ATOM 2098 N VAL A 130 -19.125 2.352 5.121 1.00 0.00 N ATOM 2099 CA VAL A 130 -19.019 3.778 4.736 1.00 0.00 C ATOM 2100 C VAL A 130 -19.298 3.935 3.230 1.00 0.00 C ATOM 2101 O VAL A 130 -19.968 3.090 2.628 1.00 0.00 O ATOM 2102 CB VAL A 130 -17.664 4.396 5.202 1.00 0.00 C ATOM 2103 CG1 VAL A 130 -17.972 5.546 6.171 1.00 0.00 C ATOM 2104 CG2 VAL A 130 -16.713 3.459 5.943 1.00 0.00 C ATOM 0 H VAL A 130 -18.613 1.749 4.477 1.00 0.00 H new ATOM 0 HA VAL A 130 -19.783 4.355 5.257 1.00 0.00 H new ATOM 0 HB VAL A 130 -17.161 4.690 4.280 1.00 0.00 H new ATOM 0 HG11 VAL A 130 -17.039 5.995 6.511 1.00 0.00 H new ATOM 0 HG12 VAL A 130 -18.573 6.300 5.662 1.00 0.00 H new ATOM 0 HG13 VAL A 130 -18.523 5.161 7.029 1.00 0.00 H new ATOM 0 HG21 VAL A 130 -15.807 4.001 6.216 1.00 0.00 H new ATOM 0 HG22 VAL A 130 -17.199 3.087 6.845 1.00 0.00 H new ATOM 0 HG23 VAL A 130 -16.453 2.620 5.298 1.00 0.00 H new