USER MOD reduce.3.24.130724 H: found=0, std=0, add=887, rem=0, adj=26 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 30:sc= 0 USER MOD Set 1.2: A 120 ASN : amide:sc= 0.472 X(o=1,f=0.77) USER MOD Set 1.3: A 124 GLN : amide:sc= 0.548 X(o=1,f=0.77) USER MOD Set 2.1: A 97 GLN : amide:sc= 0.446 X(o=0.87,f=0.6) USER MOD Set 2.2: A 103 SER OG : rot 180:sc= 0.427 USER MOD Set 3.1: A 59 LYS NZ :NH3+ -155:sc= 1.54 (180deg=0.478) USER MOD Set 3.2: A 71 GLN : amide:sc= 0.621 K(o=2.2,f=-2.9) 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 44 THR OG1 : rot -160:sc= 0.752 USER MOD Set 5.2: A 63 LYS NZ :NH3+ -171:sc= 2.1 (180deg=1.16) USER MOD Set 6.1: A 12 CYS SG : rot 180:sc= -0.165 USER MOD Set 6.2: A 122 SER OG : rot 70:sc= 1.23 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ -170:sc= 2.45 (180deg=2.32) 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= 0.00258 USER MOD Single : A 37 LYS NZ :NH3+ -146:sc= 2.06 (180deg=1.16) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 THR OG1 : rot -170:sc= 0 USER MOD Single : A 51 SER OG : rot 33:sc= 0.106 USER MOD Single : A 54 LYS NZ :NH3+ -157:sc= 1.22 (180deg=0.976) 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= 0.398 K(o=0.4,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 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 132:sc= 0.486 USER MOD Single : A 91 TYR OH : rot 30:sc= 0.589 USER MOD Single : A 111 THR OG1 : rot 180:sc= 0 USER MOD Single : A 126 HIS : no HD1:sc= 0.347 K(o=0.52,f=-3.4!) USER MOD Single : A 128 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 171 N GLU A 8 -5.156 8.296 14.778 1.00 0.00 N ATOM 172 CA GLU A 8 -5.358 7.269 13.750 1.00 0.00 C ATOM 173 C GLU A 8 -5.460 5.895 14.437 1.00 0.00 C ATOM 174 O GLU A 8 -4.578 5.474 15.189 1.00 0.00 O ATOM 175 CB GLU A 8 -4.236 7.312 12.690 1.00 0.00 C ATOM 176 CG GLU A 8 -2.819 7.109 13.261 1.00 0.00 C ATOM 177 CD GLU A 8 -1.682 7.680 12.389 1.00 0.00 C ATOM 178 OE1 GLU A 8 -0.520 7.231 12.550 1.00 0.00 O ATOM 179 OE2 GLU A 8 -1.892 8.620 11.585 1.00 0.00 O ATOM 0 HA GLU A 8 -6.287 7.461 13.214 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -4.428 6.542 11.943 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -4.274 8.272 12.176 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -2.770 7.572 14.246 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -2.649 6.042 13.402 1.00 0.00 H new ATOM 186 N SER A 9 -6.573 5.206 14.211 1.00 0.00 N ATOM 187 CA SER A 9 -6.932 3.943 14.862 1.00 0.00 C ATOM 188 C SER A 9 -6.364 2.746 14.099 1.00 0.00 C ATOM 189 O SER A 9 -6.616 2.616 12.903 1.00 0.00 O ATOM 190 CB SER A 9 -8.455 3.822 14.954 1.00 0.00 C ATOM 191 OG SER A 9 -8.964 4.756 15.894 1.00 0.00 O ATOM 0 H SER A 9 -7.279 5.520 13.545 1.00 0.00 H new ATOM 0 HA SER A 9 -6.503 3.943 15.864 1.00 0.00 H new ATOM 0 HB2 SER A 9 -8.901 4.000 13.975 1.00 0.00 H new ATOM 0 HB3 SER A 9 -8.730 2.810 15.251 1.00 0.00 H new ATOM 0 HG SER A 9 -9.939 4.672 15.944 1.00 0.00 H new ATOM 197 N VAL A 10 -5.599 1.865 14.752 1.00 0.00 N ATOM 198 CA VAL A 10 -4.938 0.738 14.066 1.00 0.00 C ATOM 199 C VAL A 10 -5.944 -0.270 13.490 1.00 0.00 C ATOM 200 O VAL A 10 -6.897 -0.675 14.159 1.00 0.00 O ATOM 201 CB VAL A 10 -3.848 0.085 14.942 1.00 0.00 C ATOM 202 CG1 VAL A 10 -4.390 -0.633 16.184 1.00 0.00 C ATOM 203 CG2 VAL A 10 -2.986 -0.894 14.134 1.00 0.00 C ATOM 0 H VAL A 10 -5.419 1.906 15.755 1.00 0.00 H new ATOM 0 HA VAL A 10 -4.417 1.152 13.203 1.00 0.00 H new ATOM 0 HB VAL A 10 -3.239 0.920 15.289 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -3.561 -1.064 16.745 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -4.922 0.080 16.813 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -5.072 -1.426 15.877 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -2.230 -1.334 14.784 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -3.617 -1.683 13.726 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -2.498 -0.361 13.318 1.00 0.00 H new ATOM 213 N LEU A 11 -5.716 -0.665 12.234 1.00 0.00 N ATOM 214 CA LEU A 11 -6.514 -1.643 11.487 1.00 0.00 C ATOM 215 C LEU A 11 -5.719 -2.921 11.185 1.00 0.00 C ATOM 216 O LEU A 11 -6.255 -4.020 11.327 1.00 0.00 O ATOM 217 CB LEU A 11 -6.996 -1.029 10.161 1.00 0.00 C ATOM 218 CG LEU A 11 -7.929 0.189 10.268 1.00 0.00 C ATOM 219 CD1 LEU A 11 -8.335 0.605 8.854 1.00 0.00 C ATOM 220 CD2 LEU A 11 -9.195 -0.111 11.074 1.00 0.00 C ATOM 0 H LEU A 11 -4.938 -0.297 11.687 1.00 0.00 H new ATOM 0 HA LEU A 11 -7.366 -1.909 12.112 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -6.120 -0.738 9.581 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -7.511 -1.804 9.593 1.00 0.00 H new ATOM 0 HG LEU A 11 -7.390 0.982 10.786 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -8.998 1.469 8.905 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -7.445 0.864 8.281 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -8.852 -0.221 8.366 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -9.818 0.782 11.119 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -9.750 -0.917 10.594 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -8.920 -0.412 12.085 1.00 0.00 H new ATOM 232 N CYS A 12 -4.452 -2.784 10.766 1.00 0.00 N ATOM 233 CA CYS A 12 -3.599 -3.914 10.392 1.00 0.00 C ATOM 234 C CYS A 12 -2.112 -3.671 10.674 1.00 0.00 C ATOM 235 O CYS A 12 -1.618 -2.544 10.642 1.00 0.00 O ATOM 236 CB CYS A 12 -3.856 -4.281 8.921 1.00 0.00 C ATOM 237 SG CYS A 12 -3.218 -5.938 8.535 1.00 0.00 S ATOM 0 H CYS A 12 -3.991 -1.879 10.678 1.00 0.00 H new ATOM 0 HA CYS A 12 -3.869 -4.760 11.025 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -4.926 -4.244 8.716 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -3.381 -3.545 8.272 1.00 0.00 H new ATOM 0 HG CYS A 12 -3.455 -6.214 7.287 1.00 0.00 H new ATOM 243 N VAL A 13 -1.395 -4.766 10.911 1.00 0.00 N ATOM 244 CA VAL A 13 0.060 -4.854 11.013 1.00 0.00 C ATOM 245 C VAL A 13 0.507 -6.157 10.346 1.00 0.00 C ATOM 246 O VAL A 13 -0.060 -7.218 10.625 1.00 0.00 O ATOM 247 CB VAL A 13 0.514 -4.729 12.484 1.00 0.00 C ATOM 248 CG1 VAL A 13 -0.050 -5.798 13.430 1.00 0.00 C ATOM 249 CG2 VAL A 13 2.041 -4.727 12.619 1.00 0.00 C ATOM 0 H VAL A 13 -1.842 -5.673 11.045 1.00 0.00 H new ATOM 0 HA VAL A 13 0.538 -4.025 10.491 1.00 0.00 H new ATOM 0 HB VAL A 13 0.100 -3.769 12.791 1.00 0.00 H new ATOM 0 HG11 VAL A 13 0.326 -5.626 14.439 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -1.139 -5.743 13.434 1.00 0.00 H new ATOM 0 HG13 VAL A 13 0.262 -6.786 13.090 1.00 0.00 H new ATOM 0 HG21 VAL A 13 2.313 -4.637 13.671 1.00 0.00 H new ATOM 0 HG22 VAL A 13 2.443 -5.658 12.218 1.00 0.00 H new ATOM 0 HG23 VAL A 13 2.454 -3.885 12.064 1.00 0.00 H new ATOM 259 N LYS A 14 1.500 -6.090 9.451 1.00 0.00 N ATOM 260 CA LYS A 14 2.116 -7.279 8.825 1.00 0.00 C ATOM 261 C LYS A 14 3.643 -7.312 8.988 1.00 0.00 C ATOM 262 O LYS A 14 4.285 -6.266 8.847 1.00 0.00 O ATOM 263 CB LYS A 14 1.683 -7.465 7.354 1.00 0.00 C ATOM 264 CG LYS A 14 0.248 -7.988 7.195 1.00 0.00 C ATOM 265 CD LYS A 14 0.091 -9.426 7.721 1.00 0.00 C ATOM 266 CE LYS A 14 -1.275 -9.968 7.315 1.00 0.00 C ATOM 267 NZ LYS A 14 -1.409 -11.419 7.589 1.00 0.00 N ATOM 0 H LYS A 14 1.905 -5.208 9.136 1.00 0.00 H new ATOM 0 HA LYS A 14 1.731 -8.139 9.373 1.00 0.00 H new ATOM 0 HB2 LYS A 14 1.772 -6.511 6.835 1.00 0.00 H new ATOM 0 HB3 LYS A 14 2.369 -8.158 6.867 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -0.438 -7.331 7.730 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -0.034 -7.955 6.143 1.00 0.00 H new ATOM 0 HD2 LYS A 14 0.880 -10.060 7.318 1.00 0.00 H new ATOM 0 HD3 LYS A 14 0.193 -9.441 8.806 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -2.053 -9.426 7.852 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -1.435 -9.785 6.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -2.279 -11.777 7.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -0.589 -11.924 7.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -1.453 -11.576 8.616 1.00 0.00 H new ATOM 281 N PRO A 15 4.220 -8.497 9.277 1.00 0.00 N ATOM 282 CA PRO A 15 5.601 -8.658 9.749 1.00 0.00 C ATOM 283 C PRO A 15 6.669 -8.398 8.677 1.00 0.00 C ATOM 284 O PRO A 15 7.791 -8.017 9.014 1.00 0.00 O ATOM 285 CB PRO A 15 5.676 -10.106 10.257 1.00 0.00 C ATOM 286 CG PRO A 15 4.620 -10.841 9.427 1.00 0.00 C ATOM 287 CD PRO A 15 3.536 -9.787 9.300 1.00 0.00 C ATOM 0 HA PRO A 15 5.820 -7.917 10.518 1.00 0.00 H new ATOM 0 HB2 PRO A 15 6.669 -10.531 10.108 1.00 0.00 H new ATOM 0 HB3 PRO A 15 5.460 -10.167 11.324 1.00 0.00 H new ATOM 0 HG2 PRO A 15 5.006 -11.150 8.455 1.00 0.00 H new ATOM 0 HG3 PRO A 15 4.260 -11.740 9.927 1.00 0.00 H new ATOM 0 HD2 PRO A 15 2.954 -9.935 8.390 1.00 0.00 H new ATOM 0 HD3 PRO A 15 2.839 -9.843 10.136 1.00 0.00 H new ATOM 295 N ASP A 16 6.335 -8.596 7.401 1.00 0.00 N ATOM 296 CA ASP A 16 7.223 -8.367 6.259 1.00 0.00 C ATOM 297 C ASP A 16 6.444 -7.803 5.060 1.00 0.00 C ATOM 298 O ASP A 16 5.377 -8.312 4.702 1.00 0.00 O ATOM 299 CB ASP A 16 7.939 -9.673 5.894 1.00 0.00 C ATOM 300 CG ASP A 16 9.019 -9.427 4.831 1.00 0.00 C ATOM 301 OD1 ASP A 16 8.704 -9.484 3.622 1.00 0.00 O ATOM 302 OD2 ASP A 16 10.181 -9.159 5.217 1.00 0.00 O ATOM 0 H ASP A 16 5.412 -8.930 7.125 1.00 0.00 H new ATOM 0 HA ASP A 16 7.972 -7.624 6.535 1.00 0.00 H new ATOM 0 HB2 ASP A 16 8.393 -10.105 6.786 1.00 0.00 H new ATOM 0 HB3 ASP A 16 7.215 -10.398 5.522 1.00 0.00 H new ATOM 307 N VAL A 17 6.980 -6.751 4.439 1.00 0.00 N ATOM 308 CA VAL A 17 6.442 -6.109 3.232 1.00 0.00 C ATOM 309 C VAL A 17 7.594 -5.503 2.428 1.00 0.00 C ATOM 310 O VAL A 17 8.529 -4.943 3.008 1.00 0.00 O ATOM 311 CB VAL A 17 5.357 -5.067 3.594 1.00 0.00 C ATOM 312 CG1 VAL A 17 5.848 -3.945 4.516 1.00 0.00 C ATOM 313 CG2 VAL A 17 4.729 -4.437 2.349 1.00 0.00 C ATOM 0 H VAL A 17 7.833 -6.304 4.773 1.00 0.00 H new ATOM 0 HA VAL A 17 5.950 -6.854 2.607 1.00 0.00 H new ATOM 0 HB VAL A 17 4.609 -5.642 4.140 1.00 0.00 H new ATOM 0 HG11 VAL A 17 5.027 -3.257 4.721 1.00 0.00 H new ATOM 0 HG12 VAL A 17 6.205 -4.374 5.452 1.00 0.00 H new ATOM 0 HG13 VAL A 17 6.661 -3.405 4.031 1.00 0.00 H new ATOM 0 HG21 VAL A 17 3.973 -3.712 2.650 1.00 0.00 H new ATOM 0 HG22 VAL A 17 5.501 -3.935 1.766 1.00 0.00 H new ATOM 0 HG23 VAL A 17 4.265 -5.215 1.743 1.00 0.00 H new ATOM 323 N SER A 18 7.543 -5.629 1.099 1.00 0.00 N ATOM 324 CA SER A 18 8.606 -5.191 0.184 1.00 0.00 C ATOM 325 C SER A 18 8.090 -4.186 -0.854 1.00 0.00 C ATOM 326 O SER A 18 6.976 -4.315 -1.360 1.00 0.00 O ATOM 327 CB SER A 18 9.245 -6.406 -0.498 1.00 0.00 C ATOM 328 OG SER A 18 9.725 -7.347 0.449 1.00 0.00 O ATOM 0 H SER A 18 6.747 -6.046 0.617 1.00 0.00 H new ATOM 0 HA SER A 18 9.365 -4.677 0.773 1.00 0.00 H new ATOM 0 HB2 SER A 18 8.513 -6.885 -1.148 1.00 0.00 H new ATOM 0 HB3 SER A 18 10.068 -6.076 -1.133 1.00 0.00 H new ATOM 0 HG SER A 18 10.124 -8.109 -0.020 1.00 0.00 H new ATOM 334 N VAL A 19 8.894 -3.173 -1.183 1.00 0.00 N ATOM 335 CA VAL A 19 8.528 -2.046 -2.059 1.00 0.00 C ATOM 336 C VAL A 19 9.460 -1.965 -3.266 1.00 0.00 C ATOM 337 O VAL A 19 10.683 -2.021 -3.131 1.00 0.00 O ATOM 338 CB VAL A 19 8.464 -0.728 -1.268 1.00 0.00 C ATOM 339 CG1 VAL A 19 8.252 0.484 -2.182 1.00 0.00 C ATOM 340 CG2 VAL A 19 7.291 -0.793 -0.282 1.00 0.00 C ATOM 0 H VAL A 19 9.852 -3.108 -0.838 1.00 0.00 H new ATOM 0 HA VAL A 19 7.526 -2.224 -2.449 1.00 0.00 H new ATOM 0 HB VAL A 19 9.416 -0.608 -0.751 1.00 0.00 H new ATOM 0 HG11 VAL A 19 8.213 1.392 -1.580 1.00 0.00 H new ATOM 0 HG12 VAL A 19 9.077 0.554 -2.891 1.00 0.00 H new ATOM 0 HG13 VAL A 19 7.315 0.370 -2.726 1.00 0.00 H new ATOM 0 HG21 VAL A 19 7.239 0.138 0.283 1.00 0.00 H new ATOM 0 HG22 VAL A 19 6.361 -0.937 -0.832 1.00 0.00 H new ATOM 0 HG23 VAL A 19 7.439 -1.626 0.405 1.00 0.00 H new ATOM 350 N TYR A 20 8.860 -1.831 -4.451 1.00 0.00 N ATOM 351 CA TYR A 20 9.501 -2.114 -5.746 1.00 0.00 C ATOM 352 C TYR A 20 9.709 -0.899 -6.679 1.00 0.00 C ATOM 353 O TYR A 20 10.274 -1.061 -7.762 1.00 0.00 O ATOM 354 CB TYR A 20 8.711 -3.238 -6.432 1.00 0.00 C ATOM 355 CG TYR A 20 8.778 -4.589 -5.732 1.00 0.00 C ATOM 356 CD1 TYR A 20 9.633 -5.596 -6.223 1.00 0.00 C ATOM 357 CD2 TYR A 20 7.985 -4.851 -4.597 1.00 0.00 C ATOM 358 CE1 TYR A 20 9.693 -6.854 -5.591 1.00 0.00 C ATOM 359 CE2 TYR A 20 8.068 -6.096 -3.947 1.00 0.00 C ATOM 360 CZ TYR A 20 8.912 -7.106 -4.444 1.00 0.00 C ATOM 361 OH TYR A 20 8.970 -8.311 -3.815 1.00 0.00 O ATOM 0 H TYR A 20 7.894 -1.516 -4.544 1.00 0.00 H new ATOM 0 HA TYR A 20 10.524 -2.423 -5.532 1.00 0.00 H new ATOM 0 HB2 TYR A 20 7.667 -2.935 -6.506 1.00 0.00 H new ATOM 0 HB3 TYR A 20 9.082 -3.354 -7.450 1.00 0.00 H new ATOM 0 HD1 TYR A 20 10.247 -5.402 -7.090 1.00 0.00 H new ATOM 0 HD2 TYR A 20 7.311 -4.093 -4.225 1.00 0.00 H new ATOM 0 HE1 TYR A 20 10.338 -7.626 -5.985 1.00 0.00 H new ATOM 0 HE2 TYR A 20 7.479 -6.278 -3.060 1.00 0.00 H new ATOM 0 HH TYR A 20 8.366 -8.306 -3.043 1.00 0.00 H new ATOM 371 N ARG A 21 9.280 0.299 -6.244 1.00 0.00 N ATOM 372 CA ARG A 21 9.484 1.650 -6.837 1.00 0.00 C ATOM 373 C ARG A 21 9.304 1.732 -8.368 1.00 0.00 C ATOM 374 O ARG A 21 10.209 1.419 -9.145 1.00 0.00 O ATOM 375 CB ARG A 21 10.853 2.216 -6.411 1.00 0.00 C ATOM 376 CG ARG A 21 11.036 2.314 -4.888 1.00 0.00 C ATOM 377 CD ARG A 21 12.376 2.983 -4.556 1.00 0.00 C ATOM 378 NE ARG A 21 12.650 2.963 -3.105 1.00 0.00 N ATOM 379 CZ ARG A 21 13.775 3.329 -2.514 1.00 0.00 C ATOM 380 NH1 ARG A 21 13.903 3.239 -1.223 1.00 0.00 N ATOM 381 NH2 ARG A 21 14.793 3.788 -3.185 1.00 0.00 N ATOM 0 H ARG A 21 8.729 0.361 -5.388 1.00 0.00 H new ATOM 0 HA ARG A 21 8.680 2.267 -6.435 1.00 0.00 H new ATOM 0 HB2 ARG A 21 11.641 1.585 -6.823 1.00 0.00 H new ATOM 0 HB3 ARG A 21 10.978 3.207 -6.847 1.00 0.00 H new ATOM 0 HG2 ARG A 21 10.218 2.887 -4.452 1.00 0.00 H new ATOM 0 HG3 ARG A 21 10.999 1.319 -4.445 1.00 0.00 H new ATOM 0 HD2 ARG A 21 13.180 2.471 -5.085 1.00 0.00 H new ATOM 0 HD3 ARG A 21 12.366 4.014 -4.911 1.00 0.00 H new ATOM 0 HE ARG A 21 11.898 2.635 -2.499 1.00 0.00 H new ATOM 0 HH11 ARG A 21 13.132 2.884 -0.658 1.00 0.00 H new ATOM 0 HH12 ARG A 21 14.774 3.524 -0.776 1.00 0.00 H new ATOM 0 HH21 ARG A 21 14.738 3.875 -4.200 1.00 0.00 H new ATOM 0 HH22 ARG A 21 15.645 4.061 -2.696 1.00 0.00 H new ATOM 395 N ILE A 22 8.124 2.180 -8.801 1.00 0.00 N ATOM 396 CA ILE A 22 7.611 1.964 -10.172 1.00 0.00 C ATOM 397 C ILE A 22 7.700 3.207 -11.088 1.00 0.00 C ATOM 398 O ILE A 22 7.474 4.324 -10.614 1.00 0.00 O ATOM 399 CB ILE A 22 6.173 1.400 -10.118 1.00 0.00 C ATOM 400 CG1 ILE A 22 5.152 2.445 -9.612 1.00 0.00 C ATOM 401 CG2 ILE A 22 6.168 0.114 -9.281 1.00 0.00 C ATOM 402 CD1 ILE A 22 3.741 1.901 -9.391 1.00 0.00 C ATOM 0 H ILE A 22 7.484 2.710 -8.209 1.00 0.00 H new ATOM 0 HA ILE A 22 8.271 1.231 -10.635 1.00 0.00 H new ATOM 0 HB ILE A 22 5.851 1.155 -11.130 1.00 0.00 H new ATOM 0 HG12 ILE A 22 5.516 2.865 -8.674 1.00 0.00 H new ATOM 0 HG13 ILE A 22 5.103 3.263 -10.330 1.00 0.00 H new ATOM 0 HG21 ILE A 22 5.156 -0.289 -9.239 1.00 0.00 H new ATOM 0 HG22 ILE A 22 6.832 -0.620 -9.738 1.00 0.00 H new ATOM 0 HG23 ILE A 22 6.512 0.336 -8.271 1.00 0.00 H new ATOM 0 HD11 ILE A 22 3.093 2.703 -9.037 1.00 0.00 H new ATOM 0 HD12 ILE A 22 3.351 1.508 -10.330 1.00 0.00 H new ATOM 0 HD13 ILE A 22 3.771 1.104 -8.648 1.00 0.00 H new ATOM 414 N PRO A 23 7.976 3.040 -12.402 1.00 0.00 N ATOM 415 CA PRO A 23 7.947 4.142 -13.369 1.00 0.00 C ATOM 416 C PRO A 23 6.562 4.610 -13.896 1.00 0.00 C ATOM 417 O PRO A 23 6.404 5.827 -14.049 1.00 0.00 O ATOM 418 CB PRO A 23 8.909 3.744 -14.494 1.00 0.00 C ATOM 419 CG PRO A 23 9.085 2.229 -14.385 1.00 0.00 C ATOM 420 CD PRO A 23 8.644 1.871 -12.965 1.00 0.00 C ATOM 0 HA PRO A 23 8.257 5.045 -12.843 1.00 0.00 H new ATOM 0 HB2 PRO A 23 8.505 4.020 -15.468 1.00 0.00 H new ATOM 0 HB3 PRO A 23 9.865 4.256 -14.388 1.00 0.00 H new ATOM 0 HG2 PRO A 23 8.480 1.709 -15.127 1.00 0.00 H new ATOM 0 HG3 PRO A 23 10.121 1.940 -14.559 1.00 0.00 H new ATOM 0 HD2 PRO A 23 7.970 1.014 -12.978 1.00 0.00 H new ATOM 0 HD3 PRO A 23 9.504 1.591 -12.356 1.00 0.00 H new ATOM 428 N PRO A 24 5.559 3.751 -14.198 1.00 0.00 N ATOM 429 CA PRO A 24 4.299 4.180 -14.823 1.00 0.00 C ATOM 430 C PRO A 24 3.255 4.707 -13.821 1.00 0.00 C ATOM 431 O PRO A 24 3.403 4.568 -12.604 1.00 0.00 O ATOM 432 CB PRO A 24 3.786 2.940 -15.564 1.00 0.00 C ATOM 433 CG PRO A 24 4.231 1.809 -14.646 1.00 0.00 C ATOM 434 CD PRO A 24 5.594 2.296 -14.160 1.00 0.00 C ATOM 0 HA PRO A 24 4.473 5.028 -15.485 1.00 0.00 H new ATOM 0 HB2 PRO A 24 2.703 2.960 -15.690 1.00 0.00 H new ATOM 0 HB3 PRO A 24 4.221 2.852 -16.559 1.00 0.00 H new ATOM 0 HG2 PRO A 24 3.535 1.659 -13.820 1.00 0.00 H new ATOM 0 HG3 PRO A 24 4.305 0.860 -15.177 1.00 0.00 H new ATOM 0 HD2 PRO A 24 5.794 1.940 -13.149 1.00 0.00 H new ATOM 0 HD3 PRO A 24 6.391 1.912 -14.796 1.00 0.00 H new ATOM 525 N GLY A 30 -4.405 -0.708 -15.774 1.00 0.00 N ATOM 526 CA GLY A 30 -3.961 -0.186 -14.485 1.00 0.00 C ATOM 527 C GLY A 30 -2.454 0.065 -14.469 1.00 0.00 C ATOM 528 O GLY A 30 -1.966 0.950 -15.176 1.00 0.00 O ATOM 0 HA2 GLY A 30 -4.488 0.743 -14.267 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -4.221 -0.892 -13.697 1.00 0.00 H new ATOM 532 N TYR A 31 -1.718 -0.726 -13.690 1.00 0.00 N ATOM 533 CA TYR A 31 -0.265 -0.591 -13.491 1.00 0.00 C ATOM 534 C TYR A 31 0.568 -1.784 -13.953 1.00 0.00 C ATOM 535 O TYR A 31 1.717 -1.578 -14.334 1.00 0.00 O ATOM 536 CB TYR A 31 0.015 -0.395 -12.002 1.00 0.00 C ATOM 537 CG TYR A 31 -0.217 1.008 -11.523 1.00 0.00 C ATOM 538 CD1 TYR A 31 -1.470 1.374 -10.998 1.00 0.00 C ATOM 539 CD2 TYR A 31 0.852 1.920 -11.561 1.00 0.00 C ATOM 540 CE1 TYR A 31 -1.655 2.678 -10.500 1.00 0.00 C ATOM 541 CE2 TYR A 31 0.679 3.208 -11.030 1.00 0.00 C ATOM 542 CZ TYR A 31 -0.576 3.596 -10.505 1.00 0.00 C ATOM 543 OH TYR A 31 -0.730 4.845 -9.987 1.00 0.00 O ATOM 0 H TYR A 31 -2.121 -1.501 -13.163 1.00 0.00 H new ATOM 0 HA TYR A 31 0.029 0.260 -14.105 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -0.618 -1.074 -11.430 1.00 0.00 H new ATOM 0 HB3 TYR A 31 1.049 -0.673 -11.796 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -2.282 0.662 -10.977 1.00 0.00 H new ATOM 0 HD2 TYR A 31 1.798 1.632 -11.995 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -2.618 2.978 -10.115 1.00 0.00 H new ATOM 0 HE2 TYR A 31 1.505 3.904 -11.022 1.00 0.00 H new ATOM 0 HH TYR A 31 0.111 5.340 -10.072 1.00 0.00 H new ATOM 553 N ARG A 32 0.004 -2.999 -13.868 1.00 0.00 N ATOM 554 CA ARG A 32 0.610 -4.325 -14.065 1.00 0.00 C ATOM 555 C ARG A 32 2.000 -4.504 -13.426 1.00 0.00 C ATOM 556 O ARG A 32 2.994 -4.043 -13.972 1.00 0.00 O ATOM 557 CB ARG A 32 0.554 -4.776 -15.547 1.00 0.00 C ATOM 558 CG ARG A 32 -0.348 -4.027 -16.555 1.00 0.00 C ATOM 559 CD ARG A 32 0.320 -2.841 -17.273 1.00 0.00 C ATOM 560 NE ARG A 32 1.239 -3.242 -18.356 1.00 0.00 N ATOM 561 CZ ARG A 32 0.945 -3.593 -19.592 1.00 0.00 C ATOM 562 NH1 ARG A 32 1.919 -3.767 -20.434 1.00 0.00 N ATOM 563 NH2 ARG A 32 -0.276 -3.763 -20.014 1.00 0.00 N ATOM 0 H ARG A 32 -0.986 -3.086 -13.637 1.00 0.00 H new ATOM 0 HA ARG A 32 -0.021 -5.011 -13.500 1.00 0.00 H new ATOM 0 HB2 ARG A 32 1.572 -4.739 -15.935 1.00 0.00 H new ATOM 0 HB3 ARG A 32 0.248 -5.822 -15.555 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -0.695 -4.737 -17.306 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -1.230 -3.663 -16.029 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -0.455 -2.196 -17.687 1.00 0.00 H new ATOM 0 HD3 ARG A 32 0.871 -2.249 -16.542 1.00 0.00 H new ATOM 0 HE ARG A 32 2.231 -3.248 -18.117 1.00 0.00 H new ATOM 0 HH11 ARG A 32 2.884 -3.632 -20.133 1.00 0.00 H new ATOM 0 HH12 ARG A 32 1.719 -4.039 -21.396 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -1.060 -3.624 -19.376 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -0.448 -4.035 -20.982 1.00 0.00 H new ATOM 577 N ALA A 33 2.107 -5.266 -12.329 1.00 0.00 N ATOM 578 CA ALA A 33 3.402 -5.609 -11.706 1.00 0.00 C ATOM 579 C ALA A 33 4.408 -6.198 -12.713 1.00 0.00 C ATOM 580 O ALA A 33 5.600 -5.903 -12.670 1.00 0.00 O ATOM 581 CB ALA A 33 3.166 -6.609 -10.568 1.00 0.00 C ATOM 0 H ALA A 33 1.302 -5.664 -11.846 1.00 0.00 H new ATOM 0 HA ALA A 33 3.836 -4.686 -11.323 1.00 0.00 H new ATOM 0 HB1 ALA A 33 4.119 -6.865 -10.105 1.00 0.00 H new ATOM 0 HB2 ALA A 33 2.509 -6.163 -9.822 1.00 0.00 H new ATOM 0 HB3 ALA A 33 2.702 -7.511 -10.967 1.00 0.00 H new ATOM 587 N SER A 34 3.890 -6.975 -13.667 1.00 0.00 N ATOM 588 CA SER A 34 4.588 -7.575 -14.808 1.00 0.00 C ATOM 589 C SER A 34 5.252 -6.566 -15.764 1.00 0.00 C ATOM 590 O SER A 34 6.118 -6.946 -16.551 1.00 0.00 O ATOM 591 CB SER A 34 3.547 -8.394 -15.579 1.00 0.00 C ATOM 592 OG SER A 34 2.929 -9.342 -14.725 1.00 0.00 O ATOM 0 H SER A 34 2.900 -7.219 -13.663 1.00 0.00 H new ATOM 0 HA SER A 34 5.409 -8.176 -14.417 1.00 0.00 H new ATOM 0 HB2 SER A 34 2.793 -7.730 -16.001 1.00 0.00 H new ATOM 0 HB3 SER A 34 4.024 -8.906 -16.415 1.00 0.00 H new ATOM 0 HG SER A 34 2.266 -9.856 -15.232 1.00 0.00 H new ATOM 598 N ASP A 35 4.871 -5.284 -15.709 1.00 0.00 N ATOM 599 CA ASP A 35 5.457 -4.188 -16.492 1.00 0.00 C ATOM 600 C ASP A 35 6.718 -3.583 -15.842 1.00 0.00 C ATOM 601 O ASP A 35 7.516 -2.939 -16.527 1.00 0.00 O ATOM 602 CB ASP A 35 4.389 -3.100 -16.675 1.00 0.00 C ATOM 603 CG ASP A 35 4.587 -2.314 -17.976 1.00 0.00 C ATOM 604 OD1 ASP A 35 4.114 -2.818 -19.022 1.00 0.00 O ATOM 605 OD2 ASP A 35 5.146 -1.193 -17.954 1.00 0.00 O ATOM 0 H ASP A 35 4.119 -4.969 -15.096 1.00 0.00 H new ATOM 0 HA ASP A 35 5.775 -4.595 -17.452 1.00 0.00 H new ATOM 0 HB2 ASP A 35 3.400 -3.559 -16.676 1.00 0.00 H new ATOM 0 HB3 ASP A 35 4.421 -2.414 -15.829 1.00 0.00 H new ATOM 610 N TRP A 36 6.909 -3.792 -14.533 1.00 0.00 N ATOM 611 CA TRP A 36 8.019 -3.263 -13.734 1.00 0.00 C ATOM 612 C TRP A 36 8.688 -4.388 -12.918 1.00 0.00 C ATOM 613 O TRP A 36 8.573 -5.573 -13.250 1.00 0.00 O ATOM 614 CB TRP A 36 7.552 -2.036 -12.920 1.00 0.00 C ATOM 615 CG TRP A 36 6.127 -1.969 -12.471 1.00 0.00 C ATOM 616 CD1 TRP A 36 5.154 -1.349 -13.168 1.00 0.00 C ATOM 617 CD2 TRP A 36 5.490 -2.454 -11.247 1.00 0.00 C ATOM 618 NE1 TRP A 36 3.964 -1.414 -12.481 1.00 0.00 N ATOM 619 CE2 TRP A 36 4.127 -2.024 -11.256 1.00 0.00 C ATOM 620 CE3 TRP A 36 5.925 -3.168 -10.110 1.00 0.00 C ATOM 621 CZ2 TRP A 36 3.263 -2.247 -10.176 1.00 0.00 C ATOM 622 CZ3 TRP A 36 5.057 -3.418 -9.027 1.00 0.00 C ATOM 623 CH2 TRP A 36 3.732 -2.947 -9.052 1.00 0.00 C ATOM 0 H TRP A 36 6.266 -4.359 -13.980 1.00 0.00 H new ATOM 0 HA TRP A 36 8.812 -2.888 -14.382 1.00 0.00 H new ATOM 0 HB2 TRP A 36 8.181 -1.970 -12.032 1.00 0.00 H new ATOM 0 HB3 TRP A 36 7.751 -1.147 -13.519 1.00 0.00 H new ATOM 0 HD1 TRP A 36 5.289 -0.871 -14.127 1.00 0.00 H new ATOM 0 HE1 TRP A 36 3.076 -1.057 -12.833 1.00 0.00 H new ATOM 0 HE3 TRP A 36 6.942 -3.530 -10.069 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 2.246 -1.884 -10.207 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 5.412 -3.975 -8.173 1.00 0.00 H new ATOM 0 HH2 TRP A 36 3.078 -3.123 -8.211 1.00 0.00 H new ATOM 634 N LYS A 37 9.453 -4.037 -11.879 1.00 0.00 N ATOM 635 CA LYS A 37 10.142 -4.994 -11.004 1.00 0.00 C ATOM 636 C LYS A 37 9.125 -5.696 -10.096 1.00 0.00 C ATOM 637 O LYS A 37 8.651 -5.084 -9.145 1.00 0.00 O ATOM 638 CB LYS A 37 11.241 -4.271 -10.197 1.00 0.00 C ATOM 639 CG LYS A 37 12.189 -3.458 -11.100 1.00 0.00 C ATOM 640 CD LYS A 37 13.550 -3.156 -10.457 1.00 0.00 C ATOM 641 CE LYS A 37 13.478 -2.620 -9.024 1.00 0.00 C ATOM 642 NZ LYS A 37 12.879 -1.265 -8.920 1.00 0.00 N ATOM 0 H LYS A 37 9.614 -3.064 -11.617 1.00 0.00 H new ATOM 0 HA LYS A 37 10.629 -5.762 -11.606 1.00 0.00 H new ATOM 0 HB2 LYS A 37 10.776 -3.606 -9.469 1.00 0.00 H new ATOM 0 HB3 LYS A 37 11.818 -5.005 -9.635 1.00 0.00 H new ATOM 0 HG2 LYS A 37 12.350 -4.006 -12.028 1.00 0.00 H new ATOM 0 HG3 LYS A 37 11.706 -2.517 -11.365 1.00 0.00 H new ATOM 0 HD2 LYS A 37 14.148 -4.068 -10.459 1.00 0.00 H new ATOM 0 HD3 LYS A 37 14.075 -2.429 -11.076 1.00 0.00 H new ATOM 0 HE2 LYS A 37 12.895 -3.312 -8.416 1.00 0.00 H new ATOM 0 HE3 LYS A 37 14.484 -2.596 -8.604 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 13.339 -0.740 -8.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 13.017 -0.755 -9.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 11.861 -1.349 -8.723 1.00 0.00 H new ATOM 656 N LEU A 38 8.807 -6.969 -10.352 1.00 0.00 N ATOM 657 CA LEU A 38 7.999 -7.796 -9.431 1.00 0.00 C ATOM 658 C LEU A 38 8.835 -8.765 -8.563 1.00 0.00 C ATOM 659 O LEU A 38 8.296 -9.446 -7.689 1.00 0.00 O ATOM 660 CB LEU A 38 6.803 -8.435 -10.164 1.00 0.00 C ATOM 661 CG LEU A 38 7.069 -9.503 -11.241 1.00 0.00 C ATOM 662 CD1 LEU A 38 7.660 -10.805 -10.702 1.00 0.00 C ATOM 663 CD2 LEU A 38 5.742 -9.874 -11.911 1.00 0.00 C ATOM 0 H LEU A 38 9.098 -7.459 -11.198 1.00 0.00 H new ATOM 0 HA LEU A 38 7.567 -7.128 -8.686 1.00 0.00 H new ATOM 0 HB2 LEU A 38 6.156 -8.883 -9.409 1.00 0.00 H new ATOM 0 HB3 LEU A 38 6.236 -7.630 -10.632 1.00 0.00 H new ATOM 0 HG LEU A 38 7.793 -9.058 -11.924 1.00 0.00 H new ATOM 0 HD11 LEU A 38 7.816 -11.502 -11.525 1.00 0.00 H new ATOM 0 HD12 LEU A 38 8.613 -10.598 -10.216 1.00 0.00 H new ATOM 0 HD13 LEU A 38 6.972 -11.245 -9.980 1.00 0.00 H new ATOM 0 HD21 LEU A 38 5.919 -10.630 -12.676 1.00 0.00 H new ATOM 0 HD22 LEU A 38 5.055 -10.269 -11.163 1.00 0.00 H new ATOM 0 HD23 LEU A 38 5.307 -8.987 -12.372 1.00 0.00 H new ATOM 675 N ASP A 39 10.153 -8.827 -8.802 1.00 0.00 N ATOM 676 CA ASP A 39 11.092 -9.777 -8.182 1.00 0.00 C ATOM 677 C ASP A 39 12.200 -9.093 -7.351 1.00 0.00 C ATOM 678 O ASP A 39 12.762 -9.709 -6.445 1.00 0.00 O ATOM 679 CB ASP A 39 11.703 -10.637 -9.299 1.00 0.00 C ATOM 680 CG ASP A 39 12.637 -11.738 -8.762 1.00 0.00 C ATOM 681 OD1 ASP A 39 13.866 -11.658 -9.002 1.00 0.00 O ATOM 682 OD2 ASP A 39 12.137 -12.702 -8.135 1.00 0.00 O ATOM 0 H ASP A 39 10.613 -8.194 -9.457 1.00 0.00 H new ATOM 0 HA ASP A 39 10.537 -10.391 -7.473 1.00 0.00 H new ATOM 0 HB2 ASP A 39 10.901 -11.097 -9.877 1.00 0.00 H new ATOM 0 HB3 ASP A 39 12.260 -9.995 -9.982 1.00 0.00 H new ATOM 687 N GLN A 40 12.496 -7.813 -7.628 1.00 0.00 N ATOM 688 CA GLN A 40 13.585 -7.050 -7.003 1.00 0.00 C ATOM 689 C GLN A 40 13.056 -5.811 -6.252 1.00 0.00 C ATOM 690 O GLN A 40 12.775 -4.799 -6.897 1.00 0.00 O ATOM 691 CB GLN A 40 14.610 -6.628 -8.075 1.00 0.00 C ATOM 692 CG GLN A 40 15.267 -7.817 -8.786 1.00 0.00 C ATOM 693 CD GLN A 40 16.382 -7.370 -9.728 1.00 0.00 C ATOM 694 OE1 GLN A 40 17.558 -7.356 -9.385 1.00 0.00 O ATOM 695 NE2 GLN A 40 16.066 -6.968 -10.943 1.00 0.00 N ATOM 0 H GLN A 40 11.970 -7.267 -8.311 1.00 0.00 H new ATOM 0 HA GLN A 40 14.070 -7.695 -6.270 1.00 0.00 H new ATOM 0 HB2 GLN A 40 14.114 -6.000 -8.815 1.00 0.00 H new ATOM 0 HB3 GLN A 40 15.384 -6.020 -7.608 1.00 0.00 H new ATOM 0 HG2 GLN A 40 15.672 -8.505 -8.044 1.00 0.00 H new ATOM 0 HG3 GLN A 40 14.512 -8.365 -9.350 1.00 0.00 H new ATOM 0 HE21 GLN A 40 15.092 -6.973 -11.245 1.00 0.00 H new ATOM 0 HE22 GLN A 40 16.796 -6.652 -11.581 1.00 0.00 H new ATOM 704 N PRO A 41 12.914 -5.839 -4.914 1.00 0.00 N ATOM 705 CA PRO A 41 12.547 -4.653 -4.143 1.00 0.00 C ATOM 706 C PRO A 41 13.745 -3.714 -3.918 1.00 0.00 C ATOM 707 O PRO A 41 14.905 -4.132 -3.939 1.00 0.00 O ATOM 708 CB PRO A 41 11.972 -5.195 -2.837 1.00 0.00 C ATOM 709 CG PRO A 41 12.760 -6.487 -2.621 1.00 0.00 C ATOM 710 CD PRO A 41 13.009 -7.001 -4.041 1.00 0.00 C ATOM 0 HA PRO A 41 11.821 -4.034 -4.670 1.00 0.00 H new ATOM 0 HB2 PRO A 41 12.112 -4.495 -2.014 1.00 0.00 H new ATOM 0 HB3 PRO A 41 10.901 -5.384 -2.916 1.00 0.00 H new ATOM 0 HG2 PRO A 41 13.695 -6.302 -2.092 1.00 0.00 H new ATOM 0 HG3 PRO A 41 12.195 -7.206 -2.028 1.00 0.00 H new ATOM 0 HD2 PRO A 41 13.991 -7.468 -4.120 1.00 0.00 H new ATOM 0 HD3 PRO A 41 12.273 -7.757 -4.317 1.00 0.00 H new ATOM 718 N ASP A 42 13.457 -2.439 -3.655 1.00 0.00 N ATOM 719 CA ASP A 42 14.437 -1.406 -3.283 1.00 0.00 C ATOM 720 C ASP A 42 14.414 -1.089 -1.776 1.00 0.00 C ATOM 721 O ASP A 42 15.384 -0.555 -1.234 1.00 0.00 O ATOM 722 CB ASP A 42 14.162 -0.136 -4.097 1.00 0.00 C ATOM 723 CG ASP A 42 14.472 -0.325 -5.586 1.00 0.00 C ATOM 724 OD1 ASP A 42 15.669 -0.396 -5.955 1.00 0.00 O ATOM 725 OD2 ASP A 42 13.519 -0.376 -6.396 1.00 0.00 O ATOM 0 H ASP A 42 12.503 -2.080 -3.695 1.00 0.00 H new ATOM 0 HA ASP A 42 15.432 -1.790 -3.508 1.00 0.00 H new ATOM 0 HB2 ASP A 42 13.117 0.150 -3.979 1.00 0.00 H new ATOM 0 HB3 ASP A 42 14.764 0.683 -3.703 1.00 0.00 H new ATOM 730 N TRP A 43 13.318 -1.438 -1.092 1.00 0.00 N ATOM 731 CA TRP A 43 13.140 -1.325 0.358 1.00 0.00 C ATOM 732 C TRP A 43 12.278 -2.480 0.878 1.00 0.00 C ATOM 733 O TRP A 43 11.330 -2.890 0.207 1.00 0.00 O ATOM 734 CB TRP A 43 12.484 0.027 0.681 1.00 0.00 C ATOM 735 CG TRP A 43 12.134 0.254 2.121 1.00 0.00 C ATOM 736 CD1 TRP A 43 12.900 0.910 3.022 1.00 0.00 C ATOM 737 CD2 TRP A 43 10.931 -0.158 2.849 1.00 0.00 C ATOM 738 NE1 TRP A 43 12.273 0.911 4.254 1.00 0.00 N ATOM 739 CE2 TRP A 43 11.053 0.272 4.203 1.00 0.00 C ATOM 740 CE3 TRP A 43 9.750 -0.852 2.502 1.00 0.00 C ATOM 741 CZ2 TRP A 43 10.054 0.035 5.158 1.00 0.00 C ATOM 742 CZ3 TRP A 43 8.745 -1.106 3.454 1.00 0.00 C ATOM 743 CH2 TRP A 43 8.893 -0.662 4.780 1.00 0.00 C ATOM 0 H TRP A 43 12.496 -1.824 -1.556 1.00 0.00 H new ATOM 0 HA TRP A 43 14.111 -1.379 0.850 1.00 0.00 H new ATOM 0 HB2 TRP A 43 13.157 0.822 0.360 1.00 0.00 H new ATOM 0 HB3 TRP A 43 11.575 0.120 0.087 1.00 0.00 H new ATOM 0 HD1 TRP A 43 13.857 1.364 2.811 1.00 0.00 H new ATOM 0 HE1 TRP A 43 12.665 1.332 5.096 1.00 0.00 H new ATOM 0 HE3 TRP A 43 9.616 -1.194 1.486 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 10.175 0.384 6.173 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 7.855 -1.645 3.164 1.00 0.00 H new ATOM 0 HH2 TRP A 43 8.117 -0.856 5.506 1.00 0.00 H new ATOM 754 N THR A 44 12.559 -2.984 2.083 1.00 0.00 N ATOM 755 CA THR A 44 11.658 -3.868 2.827 1.00 0.00 C ATOM 756 C THR A 44 11.591 -3.493 4.302 1.00 0.00 C ATOM 757 O THR A 44 12.523 -2.914 4.867 1.00 0.00 O ATOM 758 CB THR A 44 12.005 -5.360 2.669 1.00 0.00 C ATOM 759 OG1 THR A 44 13.013 -5.780 3.570 1.00 0.00 O ATOM 760 CG2 THR A 44 12.450 -5.796 1.277 1.00 0.00 C ATOM 0 H THR A 44 13.430 -2.787 2.575 1.00 0.00 H new ATOM 0 HA THR A 44 10.673 -3.720 2.384 1.00 0.00 H new ATOM 0 HB THR A 44 11.048 -5.835 2.883 1.00 0.00 H new ATOM 0 HG1 THR A 44 13.422 -6.608 3.241 1.00 0.00 H new ATOM 0 HG21 THR A 44 12.668 -6.864 1.283 1.00 0.00 H new ATOM 0 HG22 THR A 44 11.655 -5.592 0.560 1.00 0.00 H new ATOM 0 HG23 THR A 44 13.346 -5.244 0.992 1.00 0.00 H new ATOM 768 N GLY A 45 10.472 -3.840 4.928 1.00 0.00 N ATOM 769 CA GLY A 45 10.179 -3.492 6.310 1.00 0.00 C ATOM 770 C GLY A 45 8.891 -4.138 6.794 1.00 0.00 C ATOM 771 O GLY A 45 8.625 -5.309 6.522 1.00 0.00 O ATOM 0 H GLY A 45 9.732 -4.380 4.480 1.00 0.00 H new ATOM 0 HA2 GLY A 45 11.005 -3.807 6.947 1.00 0.00 H new ATOM 0 HA3 GLY A 45 10.100 -2.409 6.403 1.00 0.00 H new ATOM 775 N ARG A 46 8.109 -3.350 7.522 1.00 0.00 N ATOM 776 CA ARG A 46 6.896 -3.731 8.259 1.00 0.00 C ATOM 777 C ARG A 46 5.718 -2.853 7.824 1.00 0.00 C ATOM 778 O ARG A 46 5.891 -1.663 7.566 1.00 0.00 O ATOM 779 CB ARG A 46 7.217 -3.614 9.761 1.00 0.00 C ATOM 780 CG ARG A 46 6.056 -3.982 10.699 1.00 0.00 C ATOM 781 CD ARG A 46 6.466 -3.896 12.175 1.00 0.00 C ATOM 782 NE ARG A 46 7.444 -4.948 12.532 1.00 0.00 N ATOM 783 CZ ARG A 46 8.717 -4.792 12.847 1.00 0.00 C ATOM 784 NH1 ARG A 46 9.482 -5.825 13.041 1.00 0.00 N ATOM 785 NH2 ARG A 46 9.274 -3.621 12.957 1.00 0.00 N ATOM 0 H ARG A 46 8.315 -2.356 7.624 1.00 0.00 H new ATOM 0 HA ARG A 46 6.597 -4.757 8.045 1.00 0.00 H new ATOM 0 HB2 ARG A 46 8.067 -4.258 9.988 1.00 0.00 H new ATOM 0 HB3 ARG A 46 7.527 -2.591 9.973 1.00 0.00 H new ATOM 0 HG2 ARG A 46 5.215 -3.313 10.516 1.00 0.00 H new ATOM 0 HG3 ARG A 46 5.714 -4.993 10.475 1.00 0.00 H new ATOM 0 HD2 ARG A 46 6.896 -2.915 12.377 1.00 0.00 H new ATOM 0 HD3 ARG A 46 5.582 -3.992 12.805 1.00 0.00 H new ATOM 0 HE ARG A 46 7.094 -5.906 12.535 1.00 0.00 H new ATOM 0 HH11 ARG A 46 9.100 -6.767 12.950 1.00 0.00 H new ATOM 0 HH12 ARG A 46 10.464 -5.694 13.284 1.00 0.00 H new ATOM 0 HH21 ARG A 46 8.723 -2.777 12.798 1.00 0.00 H new ATOM 0 HH22 ARG A 46 10.261 -3.547 13.202 1.00 0.00 H new ATOM 799 N LEU A 47 4.520 -3.428 7.744 1.00 0.00 N ATOM 800 CA LEU A 47 3.290 -2.702 7.399 1.00 0.00 C ATOM 801 C LEU A 47 2.592 -2.187 8.664 1.00 0.00 C ATOM 802 O LEU A 47 2.493 -2.924 9.646 1.00 0.00 O ATOM 803 CB LEU A 47 2.363 -3.659 6.635 1.00 0.00 C ATOM 804 CG LEU A 47 1.032 -3.048 6.155 1.00 0.00 C ATOM 805 CD1 LEU A 47 1.218 -2.209 4.896 1.00 0.00 C ATOM 806 CD2 LEU A 47 0.033 -4.177 5.910 1.00 0.00 C ATOM 0 H LEU A 47 4.370 -4.422 7.918 1.00 0.00 H new ATOM 0 HA LEU A 47 3.534 -1.840 6.779 1.00 0.00 H new ATOM 0 HB2 LEU A 47 2.900 -4.043 5.768 1.00 0.00 H new ATOM 0 HB3 LEU A 47 2.141 -4.512 7.276 1.00 0.00 H new ATOM 0 HG LEU A 47 0.653 -2.379 6.927 1.00 0.00 H new ATOM 0 HD11 LEU A 47 0.257 -1.796 4.589 1.00 0.00 H new ATOM 0 HD12 LEU A 47 1.914 -1.396 5.100 1.00 0.00 H new ATOM 0 HD13 LEU A 47 1.616 -2.835 4.097 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -0.914 -3.758 5.570 1.00 0.00 H new ATOM 0 HD22 LEU A 47 0.426 -4.851 5.149 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -0.127 -4.729 6.836 1.00 0.00 H new ATOM 818 N ARG A 48 2.009 -0.985 8.603 1.00 0.00 N ATOM 819 CA ARG A 48 1.072 -0.466 9.610 1.00 0.00 C ATOM 820 C ARG A 48 -0.079 0.278 8.926 1.00 0.00 C ATOM 821 O ARG A 48 0.114 1.346 8.356 1.00 0.00 O ATOM 822 CB ARG A 48 1.859 0.435 10.589 1.00 0.00 C ATOM 823 CG ARG A 48 1.416 0.314 12.052 1.00 0.00 C ATOM 824 CD ARG A 48 1.774 -1.063 12.625 1.00 0.00 C ATOM 825 NE ARG A 48 1.632 -1.100 14.093 1.00 0.00 N ATOM 826 CZ ARG A 48 2.565 -0.818 14.987 1.00 0.00 C ATOM 827 NH1 ARG A 48 2.297 -0.923 16.258 1.00 0.00 N ATOM 828 NH2 ARG A 48 3.768 -0.431 14.670 1.00 0.00 N ATOM 0 H ARG A 48 2.177 -0.332 7.838 1.00 0.00 H new ATOM 0 HA ARG A 48 0.622 -1.281 10.177 1.00 0.00 H new ATOM 0 HB2 ARG A 48 2.918 0.188 10.521 1.00 0.00 H new ATOM 0 HB3 ARG A 48 1.753 1.473 10.274 1.00 0.00 H new ATOM 0 HG2 ARG A 48 1.893 1.094 12.645 1.00 0.00 H new ATOM 0 HG3 ARG A 48 0.340 0.473 12.124 1.00 0.00 H new ATOM 0 HD2 ARG A 48 1.130 -1.821 12.178 1.00 0.00 H new ATOM 0 HD3 ARG A 48 2.799 -1.315 12.353 1.00 0.00 H new ATOM 0 HE ARG A 48 0.719 -1.372 14.457 1.00 0.00 H new ATOM 0 HH11 ARG A 48 1.370 -1.222 16.561 1.00 0.00 H new ATOM 0 HH12 ARG A 48 3.014 -0.706 16.950 1.00 0.00 H new ATOM 0 HH21 ARG A 48 4.030 -0.332 13.689 1.00 0.00 H new ATOM 0 HH22 ARG A 48 4.448 -0.227 15.403 1.00 0.00 H new ATOM 842 N ILE A 49 -1.284 -0.283 8.965 1.00 0.00 N ATOM 843 CA ILE A 49 -2.502 0.356 8.447 1.00 0.00 C ATOM 844 C ILE A 49 -3.280 0.926 9.631 1.00 0.00 C ATOM 845 O ILE A 49 -3.594 0.204 10.579 1.00 0.00 O ATOM 846 CB ILE A 49 -3.340 -0.618 7.592 1.00 0.00 C ATOM 847 CG1 ILE A 49 -2.493 -1.179 6.425 1.00 0.00 C ATOM 848 CG2 ILE A 49 -4.599 0.067 7.042 1.00 0.00 C ATOM 849 CD1 ILE A 49 -3.269 -2.038 5.419 1.00 0.00 C ATOM 0 H ILE A 49 -1.450 -1.208 9.362 1.00 0.00 H new ATOM 0 HA ILE A 49 -2.239 1.171 7.772 1.00 0.00 H new ATOM 0 HB ILE A 49 -3.651 -1.441 8.235 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -2.037 -0.345 5.892 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -1.680 -1.775 6.839 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -5.168 -0.644 6.444 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -5.214 0.418 7.871 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -4.310 0.914 6.420 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -2.592 -2.385 4.639 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -3.703 -2.896 5.932 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -4.065 -1.443 4.970 1.00 0.00 H new ATOM 861 N THR A 50 -3.599 2.216 9.570 1.00 0.00 N ATOM 862 CA THR A 50 -4.340 2.956 10.608 1.00 0.00 C ATOM 863 C THR A 50 -5.479 3.771 9.981 1.00 0.00 C ATOM 864 O THR A 50 -5.566 3.847 8.757 1.00 0.00 O ATOM 865 CB THR A 50 -3.396 3.856 11.426 1.00 0.00 C ATOM 866 OG1 THR A 50 -2.797 4.827 10.600 1.00 0.00 O ATOM 867 CG2 THR A 50 -2.251 3.107 12.113 1.00 0.00 C ATOM 0 H THR A 50 -3.344 2.801 8.774 1.00 0.00 H new ATOM 0 HA THR A 50 -4.780 2.232 11.294 1.00 0.00 H new ATOM 0 HB THR A 50 -4.036 4.296 12.191 1.00 0.00 H new ATOM 0 HG1 THR A 50 -2.087 5.286 11.096 1.00 0.00 H new ATOM 0 HG21 THR A 50 -1.634 3.814 12.667 1.00 0.00 H new ATOM 0 HG22 THR A 50 -2.661 2.367 12.800 1.00 0.00 H new ATOM 0 HG23 THR A 50 -1.641 2.606 11.361 1.00 0.00 H new ATOM 875 N SER A 51 -6.390 4.355 10.767 1.00 0.00 N ATOM 876 CA SER A 51 -7.537 5.119 10.252 1.00 0.00 C ATOM 877 C SER A 51 -8.051 6.208 11.196 1.00 0.00 C ATOM 878 O SER A 51 -8.476 5.953 12.321 1.00 0.00 O ATOM 879 CB SER A 51 -8.683 4.178 9.860 1.00 0.00 C ATOM 880 OG SER A 51 -9.131 3.395 10.954 1.00 0.00 O ATOM 0 H SER A 51 -6.354 4.312 11.785 1.00 0.00 H new ATOM 0 HA SER A 51 -7.161 5.640 9.371 1.00 0.00 H new ATOM 0 HB2 SER A 51 -9.515 4.764 9.470 1.00 0.00 H new ATOM 0 HB3 SER A 51 -8.352 3.520 9.056 1.00 0.00 H new ATOM 0 HG SER A 51 -9.037 3.908 11.784 1.00 0.00 H new ATOM 886 N LYS A 52 -8.053 7.453 10.726 1.00 0.00 N ATOM 887 CA LYS A 52 -8.665 8.610 11.394 1.00 0.00 C ATOM 888 C LYS A 52 -10.079 8.850 10.839 1.00 0.00 C ATOM 889 O LYS A 52 -10.369 9.845 10.174 1.00 0.00 O ATOM 890 CB LYS A 52 -7.699 9.792 11.293 1.00 0.00 C ATOM 891 CG LYS A 52 -8.085 10.969 12.194 1.00 0.00 C ATOM 892 CD LYS A 52 -7.392 12.262 11.744 1.00 0.00 C ATOM 893 CE LYS A 52 -5.879 12.151 11.509 1.00 0.00 C ATOM 894 NZ LYS A 52 -5.321 13.351 10.836 1.00 0.00 N ATOM 0 H LYS A 52 -7.614 7.698 9.838 1.00 0.00 H new ATOM 0 HA LYS A 52 -8.820 8.439 12.459 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -6.696 9.456 11.556 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -7.660 10.133 10.258 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -9.166 11.107 12.174 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -7.811 10.746 13.225 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -7.862 12.604 10.822 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -7.570 13.030 12.496 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -5.375 12.007 12.465 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -5.672 11.269 10.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -4.297 13.228 10.700 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -5.781 13.476 9.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -5.493 14.191 11.425 1.00 0.00 H new ATOM 908 N GLY A 53 -10.939 7.860 11.068 1.00 0.00 N ATOM 909 CA GLY A 53 -12.325 7.788 10.584 1.00 0.00 C ATOM 910 C GLY A 53 -12.434 7.073 9.233 1.00 0.00 C ATOM 911 O GLY A 53 -11.806 6.032 9.027 1.00 0.00 O ATOM 0 H GLY A 53 -10.680 7.044 11.623 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -12.937 7.266 11.319 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -12.728 8.797 10.492 1.00 0.00 H new ATOM 915 N LYS A 54 -13.204 7.642 8.295 1.00 0.00 N ATOM 916 CA LYS A 54 -13.382 7.147 6.907 1.00 0.00 C ATOM 917 C LYS A 54 -12.138 7.272 6.027 1.00 0.00 C ATOM 918 O LYS A 54 -12.097 6.727 4.927 1.00 0.00 O ATOM 919 CB LYS A 54 -14.665 7.792 6.338 1.00 0.00 C ATOM 920 CG LYS A 54 -15.179 7.279 4.980 1.00 0.00 C ATOM 921 CD LYS A 54 -14.787 8.157 3.781 1.00 0.00 C ATOM 922 CE LYS A 54 -15.609 7.745 2.554 1.00 0.00 C ATOM 923 NZ LYS A 54 -15.220 8.536 1.357 1.00 0.00 N ATOM 0 H LYS A 54 -13.742 8.489 8.480 1.00 0.00 H new ATOM 0 HA LYS A 54 -13.516 6.065 6.918 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -15.461 7.659 7.071 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -14.491 8.864 6.248 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -14.797 6.271 4.817 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -16.266 7.205 5.021 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -14.962 9.207 4.013 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -13.723 8.050 3.571 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -15.463 6.683 2.355 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -16.670 7.888 2.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -16.003 8.538 0.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -15.006 9.513 1.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -14.378 8.111 0.918 1.00 0.00 H new ATOM 937 N THR A 55 -11.082 7.875 6.554 1.00 0.00 N ATOM 938 CA THR A 55 -9.752 7.892 5.954 1.00 0.00 C ATOM 939 C THR A 55 -8.839 6.886 6.645 1.00 0.00 C ATOM 940 O THR A 55 -8.544 7.031 7.833 1.00 0.00 O ATOM 941 CB THR A 55 -9.152 9.302 6.040 1.00 0.00 C ATOM 942 OG1 THR A 55 -10.124 10.306 5.805 1.00 0.00 O ATOM 943 CG2 THR A 55 -8.116 9.438 4.940 1.00 0.00 C ATOM 0 H THR A 55 -11.127 8.382 7.438 1.00 0.00 H new ATOM 0 HA THR A 55 -9.841 7.610 4.905 1.00 0.00 H new ATOM 0 HB THR A 55 -8.736 9.429 7.039 1.00 0.00 H new ATOM 0 HG1 THR A 55 -9.704 11.189 5.870 1.00 0.00 H new ATOM 0 HG21 THR A 55 -7.673 10.433 4.978 1.00 0.00 H new ATOM 0 HG22 THR A 55 -7.337 8.688 5.079 1.00 0.00 H new ATOM 0 HG23 THR A 55 -8.593 9.290 3.971 1.00 0.00 H new ATOM 951 N ALA A 56 -8.372 5.883 5.899 1.00 0.00 N ATOM 952 CA ALA A 56 -7.258 5.037 6.324 1.00 0.00 C ATOM 953 C ALA A 56 -5.917 5.635 5.868 1.00 0.00 C ATOM 954 O ALA A 56 -5.864 6.522 5.017 1.00 0.00 O ATOM 955 CB ALA A 56 -7.477 3.573 5.911 1.00 0.00 C ATOM 0 H ALA A 56 -8.755 5.636 4.986 1.00 0.00 H new ATOM 0 HA ALA A 56 -7.217 5.018 7.413 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -6.631 2.971 6.242 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -8.391 3.198 6.371 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -7.565 3.510 4.826 1.00 0.00 H new ATOM 961 N TYR A 57 -4.825 5.163 6.456 1.00 0.00 N ATOM 962 CA TYR A 57 -3.464 5.610 6.210 1.00 0.00 C ATOM 963 C TYR A 57 -2.597 4.356 6.090 1.00 0.00 C ATOM 964 O TYR A 57 -2.377 3.646 7.076 1.00 0.00 O ATOM 965 CB TYR A 57 -3.000 6.537 7.348 1.00 0.00 C ATOM 966 CG TYR A 57 -3.763 7.849 7.485 1.00 0.00 C ATOM 967 CD1 TYR A 57 -3.194 9.054 7.022 1.00 0.00 C ATOM 968 CD2 TYR A 57 -5.039 7.874 8.084 1.00 0.00 C ATOM 969 CE1 TYR A 57 -3.902 10.267 7.142 1.00 0.00 C ATOM 970 CE2 TYR A 57 -5.769 9.074 8.158 1.00 0.00 C ATOM 971 CZ TYR A 57 -5.199 10.277 7.699 1.00 0.00 C ATOM 972 OH TYR A 57 -5.901 11.440 7.802 1.00 0.00 O ATOM 0 H TYR A 57 -4.870 4.420 7.153 1.00 0.00 H new ATOM 0 HA TYR A 57 -3.389 6.192 5.291 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -3.078 5.993 8.289 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -1.945 6.766 7.198 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -2.212 9.047 6.574 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -5.459 6.965 8.489 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -3.452 11.190 6.807 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -6.768 9.073 8.568 1.00 0.00 H new ATOM 0 HH TYR A 57 -6.775 11.260 8.208 1.00 0.00 H new ATOM 982 N ILE A 58 -2.129 4.063 4.875 1.00 0.00 N ATOM 983 CA ILE A 58 -1.167 2.986 4.627 1.00 0.00 C ATOM 984 C ILE A 58 0.206 3.499 5.035 1.00 0.00 C ATOM 985 O ILE A 58 0.763 4.348 4.339 1.00 0.00 O ATOM 986 CB ILE A 58 -1.133 2.555 3.143 1.00 0.00 C ATOM 987 CG1 ILE A 58 -2.503 2.321 2.484 1.00 0.00 C ATOM 988 CG2 ILE A 58 -0.233 1.318 3.024 1.00 0.00 C ATOM 989 CD1 ILE A 58 -3.320 1.197 3.109 1.00 0.00 C ATOM 0 H ILE A 58 -2.407 4.567 4.033 1.00 0.00 H new ATOM 0 HA ILE A 58 -1.463 2.110 5.204 1.00 0.00 H new ATOM 0 HB ILE A 58 -0.729 3.397 2.580 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -3.080 3.245 2.536 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -2.351 2.099 1.428 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -0.194 0.995 1.984 1.00 0.00 H new ATOM 0 HG22 ILE A 58 0.772 1.565 3.365 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -0.637 0.514 3.638 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -4.270 1.102 2.583 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -2.768 0.260 3.033 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -3.508 1.424 4.158 1.00 0.00 H new ATOM 1001 N LYS A 59 0.753 3.014 6.147 1.00 0.00 N ATOM 1002 CA LYS A 59 2.097 3.380 6.616 1.00 0.00 C ATOM 1003 C LYS A 59 3.059 2.200 6.536 1.00 0.00 C ATOM 1004 O LYS A 59 2.670 1.036 6.666 1.00 0.00 O ATOM 1005 CB LYS A 59 2.050 4.025 8.010 1.00 0.00 C ATOM 1006 CG LYS A 59 0.984 5.130 8.071 1.00 0.00 C ATOM 1007 CD LYS A 59 1.238 6.118 9.209 1.00 0.00 C ATOM 1008 CE LYS A 59 0.093 7.132 9.218 1.00 0.00 C ATOM 1009 NZ LYS A 59 0.398 8.273 10.103 1.00 0.00 N ATOM 0 H LYS A 59 0.276 2.350 6.757 1.00 0.00 H new ATOM 0 HA LYS A 59 2.492 4.140 5.942 1.00 0.00 H new ATOM 0 HB2 LYS A 59 1.833 3.264 8.759 1.00 0.00 H new ATOM 0 HB3 LYS A 59 3.027 4.443 8.254 1.00 0.00 H new ATOM 0 HG2 LYS A 59 0.966 5.668 7.123 1.00 0.00 H new ATOM 0 HG3 LYS A 59 0.001 4.677 8.199 1.00 0.00 H new ATOM 0 HD2 LYS A 59 1.291 5.594 10.164 1.00 0.00 H new ATOM 0 HD3 LYS A 59 2.194 6.623 9.069 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -0.086 7.492 8.205 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -0.824 6.646 9.550 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -0.489 8.707 10.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 0.942 7.940 10.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 0.957 8.978 9.581 1.00 0.00 H new ATOM 1023 N LEU A 60 4.326 2.514 6.300 1.00 0.00 N ATOM 1024 CA LEU A 60 5.409 1.550 6.129 1.00 0.00 C ATOM 1025 C LEU A 60 6.544 1.903 7.097 1.00 0.00 C ATOM 1026 O LEU A 60 6.951 3.062 7.185 1.00 0.00 O ATOM 1027 CB LEU A 60 5.854 1.577 4.658 1.00 0.00 C ATOM 1028 CG LEU A 60 4.789 1.086 3.654 1.00 0.00 C ATOM 1029 CD1 LEU A 60 5.247 1.399 2.233 1.00 0.00 C ATOM 1030 CD2 LEU A 60 4.556 -0.422 3.757 1.00 0.00 C ATOM 0 H LEU A 60 4.641 3.481 6.219 1.00 0.00 H new ATOM 0 HA LEU A 60 5.087 0.535 6.362 1.00 0.00 H new ATOM 0 HB2 LEU A 60 6.138 2.597 4.397 1.00 0.00 H new ATOM 0 HB3 LEU A 60 6.747 0.961 4.551 1.00 0.00 H new ATOM 0 HG LEU A 60 3.858 1.600 3.892 1.00 0.00 H new ATOM 0 HD11 LEU A 60 4.495 1.052 1.524 1.00 0.00 H new ATOM 0 HD12 LEU A 60 5.381 2.475 2.123 1.00 0.00 H new ATOM 0 HD13 LEU A 60 6.192 0.893 2.036 1.00 0.00 H new ATOM 0 HD21 LEU A 60 3.799 -0.724 3.033 1.00 0.00 H new ATOM 0 HD22 LEU A 60 5.487 -0.949 3.550 1.00 0.00 H new ATOM 0 HD23 LEU A 60 4.215 -0.670 4.762 1.00 0.00 H new ATOM 1042 N GLU A 61 7.030 0.918 7.843 1.00 0.00 N ATOM 1043 CA GLU A 61 7.907 1.088 9.008 1.00 0.00 C ATOM 1044 C GLU A 61 9.178 0.231 8.891 1.00 0.00 C ATOM 1045 O GLU A 61 9.166 -0.835 8.274 1.00 0.00 O ATOM 1046 CB GLU A 61 7.142 0.724 10.292 1.00 0.00 C ATOM 1047 CG GLU A 61 5.884 1.574 10.535 1.00 0.00 C ATOM 1048 CD GLU A 61 5.233 1.266 11.901 1.00 0.00 C ATOM 1049 OE1 GLU A 61 4.863 2.218 12.628 1.00 0.00 O ATOM 1050 OE2 GLU A 61 5.047 0.074 12.249 1.00 0.00 O ATOM 0 H GLU A 61 6.819 -0.061 7.650 1.00 0.00 H new ATOM 0 HA GLU A 61 8.215 2.133 9.048 1.00 0.00 H new ATOM 0 HB2 GLU A 61 6.854 -0.326 10.245 1.00 0.00 H new ATOM 0 HB3 GLU A 61 7.812 0.834 11.145 1.00 0.00 H new ATOM 0 HG2 GLU A 61 6.146 2.631 10.488 1.00 0.00 H new ATOM 0 HG3 GLU A 61 5.162 1.389 9.739 1.00 0.00 H new ATOM 1057 N ASP A 62 10.286 0.655 9.503 1.00 0.00 N ATOM 1058 CA ASP A 62 11.541 -0.079 9.506 1.00 0.00 C ATOM 1059 C ASP A 62 11.411 -1.357 10.349 1.00 0.00 C ATOM 1060 O ASP A 62 10.883 -1.334 11.467 1.00 0.00 O ATOM 1061 CB ASP A 62 12.643 0.862 10.010 1.00 0.00 C ATOM 1062 CG ASP A 62 13.977 0.129 10.148 1.00 0.00 C ATOM 1063 OD1 ASP A 62 14.784 0.132 9.191 1.00 0.00 O ATOM 1064 OD2 ASP A 62 14.171 -0.487 11.218 1.00 0.00 O ATOM 0 H ASP A 62 10.331 1.534 10.018 1.00 0.00 H new ATOM 0 HA ASP A 62 11.805 -0.408 8.501 1.00 0.00 H new ATOM 0 HB2 ASP A 62 12.754 1.698 9.320 1.00 0.00 H new ATOM 0 HB3 ASP A 62 12.354 1.281 10.974 1.00 0.00 H new ATOM 1069 N LYS A 63 11.916 -2.480 9.823 1.00 0.00 N ATOM 1070 CA LYS A 63 11.769 -3.819 10.425 1.00 0.00 C ATOM 1071 C LYS A 63 12.450 -3.965 11.794 1.00 0.00 C ATOM 1072 O LYS A 63 12.149 -4.911 12.523 1.00 0.00 O ATOM 1073 CB LYS A 63 12.296 -4.875 9.428 1.00 0.00 C ATOM 1074 CG LYS A 63 11.318 -6.054 9.269 1.00 0.00 C ATOM 1075 CD LYS A 63 11.777 -7.090 8.228 1.00 0.00 C ATOM 1076 CE LYS A 63 11.853 -6.497 6.812 1.00 0.00 C ATOM 1077 NZ LYS A 63 12.299 -7.490 5.807 1.00 0.00 N ATOM 0 H LYS A 63 12.448 -2.488 8.953 1.00 0.00 H new ATOM 0 HA LYS A 63 10.708 -3.974 10.620 1.00 0.00 H new ATOM 0 HB2 LYS A 63 12.461 -4.407 8.457 1.00 0.00 H new ATOM 0 HB3 LYS A 63 13.261 -5.248 9.771 1.00 0.00 H new ATOM 0 HG2 LYS A 63 11.195 -6.548 10.233 1.00 0.00 H new ATOM 0 HG3 LYS A 63 10.340 -5.669 8.981 1.00 0.00 H new ATOM 0 HD2 LYS A 63 12.756 -7.477 8.511 1.00 0.00 H new ATOM 0 HD3 LYS A 63 11.088 -7.934 8.230 1.00 0.00 H new ATOM 0 HE2 LYS A 63 10.873 -6.113 6.529 1.00 0.00 H new ATOM 0 HE3 LYS A 63 12.540 -5.650 6.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 12.481 -7.011 4.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 13.172 -7.950 6.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 11.558 -8.208 5.675 1.00 0.00 H new ATOM 1091 N VAL A 64 13.325 -3.030 12.163 1.00 0.00 N ATOM 1092 CA VAL A 64 14.205 -3.083 13.340 1.00 0.00 C ATOM 1093 C VAL A 64 13.788 -2.058 14.391 1.00 0.00 C ATOM 1094 O VAL A 64 13.797 -2.374 15.583 1.00 0.00 O ATOM 1095 CB VAL A 64 15.679 -2.841 12.936 1.00 0.00 C ATOM 1096 CG1 VAL A 64 16.626 -3.414 13.995 1.00 0.00 C ATOM 1097 CG2 VAL A 64 16.046 -3.455 11.575 1.00 0.00 C ATOM 0 H VAL A 64 13.449 -2.172 11.626 1.00 0.00 H new ATOM 0 HA VAL A 64 14.112 -4.080 13.770 1.00 0.00 H new ATOM 0 HB VAL A 64 15.790 -1.760 12.858 1.00 0.00 H new ATOM 0 HG11 VAL A 64 17.658 -3.235 13.695 1.00 0.00 H new ATOM 0 HG12 VAL A 64 16.437 -2.929 14.953 1.00 0.00 H new ATOM 0 HG13 VAL A 64 16.457 -4.486 14.092 1.00 0.00 H new ATOM 0 HG21 VAL A 64 17.093 -3.248 11.353 1.00 0.00 H new ATOM 0 HG22 VAL A 64 15.888 -4.533 11.608 1.00 0.00 H new ATOM 0 HG23 VAL A 64 15.418 -3.020 10.798 1.00 0.00 H new ATOM 1107 N SER A 65 13.383 -0.857 13.958 1.00 0.00 N ATOM 1108 CA SER A 65 13.175 0.290 14.854 1.00 0.00 C ATOM 1109 C SER A 65 11.802 0.963 14.717 1.00 0.00 C ATOM 1110 O SER A 65 11.502 1.897 15.463 1.00 0.00 O ATOM 1111 CB SER A 65 14.300 1.316 14.653 1.00 0.00 C ATOM 1112 OG SER A 65 15.566 0.749 14.965 1.00 0.00 O ATOM 0 H SER A 65 13.190 -0.652 12.978 1.00 0.00 H new ATOM 0 HA SER A 65 13.200 -0.109 15.868 1.00 0.00 H new ATOM 0 HB2 SER A 65 14.298 1.666 13.621 1.00 0.00 H new ATOM 0 HB3 SER A 65 14.121 2.186 15.285 1.00 0.00 H new ATOM 0 HG SER A 65 16.267 1.420 14.828 1.00 0.00 H new ATOM 1118 N GLY A 66 10.956 0.516 13.781 1.00 0.00 N ATOM 1119 CA GLY A 66 9.610 1.061 13.562 1.00 0.00 C ATOM 1120 C GLY A 66 9.576 2.466 12.937 1.00 0.00 C ATOM 1121 O GLY A 66 8.526 3.109 12.934 1.00 0.00 O ATOM 0 H GLY A 66 11.191 -0.246 13.145 1.00 0.00 H new ATOM 0 HA2 GLY A 66 9.058 0.378 12.916 1.00 0.00 H new ATOM 0 HA3 GLY A 66 9.086 1.091 14.517 1.00 0.00 H new ATOM 1125 N GLU A 67 10.706 2.964 12.426 1.00 0.00 N ATOM 1126 CA GLU A 67 10.824 4.317 11.856 1.00 0.00 C ATOM 1127 C GLU A 67 10.089 4.429 10.508 1.00 0.00 C ATOM 1128 O GLU A 67 10.126 3.496 9.705 1.00 0.00 O ATOM 1129 CB GLU A 67 12.301 4.715 11.697 1.00 0.00 C ATOM 1130 CG GLU A 67 13.044 4.771 13.039 1.00 0.00 C ATOM 1131 CD GLU A 67 14.470 5.325 12.858 1.00 0.00 C ATOM 1132 OE1 GLU A 67 15.407 4.532 12.600 1.00 0.00 O ATOM 1133 OE2 GLU A 67 14.666 6.560 12.982 1.00 0.00 O ATOM 0 H GLU A 67 11.578 2.435 12.394 1.00 0.00 H new ATOM 0 HA GLU A 67 10.350 5.008 12.553 1.00 0.00 H new ATOM 0 HB2 GLU A 67 12.797 4.001 11.040 1.00 0.00 H new ATOM 0 HB3 GLU A 67 12.361 5.689 11.212 1.00 0.00 H new ATOM 0 HG2 GLU A 67 12.492 5.399 13.738 1.00 0.00 H new ATOM 0 HG3 GLU A 67 13.090 3.773 13.475 1.00 0.00 H new ATOM 1140 N LEU A 68 9.422 5.557 10.244 1.00 0.00 N ATOM 1141 CA LEU A 68 8.560 5.721 9.068 1.00 0.00 C ATOM 1142 C LEU A 68 9.371 5.799 7.759 1.00 0.00 C ATOM 1143 O LEU A 68 10.209 6.687 7.584 1.00 0.00 O ATOM 1144 CB LEU A 68 7.665 6.964 9.264 1.00 0.00 C ATOM 1145 CG LEU A 68 6.552 7.109 8.208 1.00 0.00 C ATOM 1146 CD1 LEU A 68 5.429 6.093 8.422 1.00 0.00 C ATOM 1147 CD2 LEU A 68 5.933 8.503 8.281 1.00 0.00 C ATOM 0 H LEU A 68 9.464 6.384 10.840 1.00 0.00 H new ATOM 0 HA LEU A 68 7.927 4.839 8.974 1.00 0.00 H new ATOM 0 HB2 LEU A 68 7.209 6.918 10.253 1.00 0.00 H new ATOM 0 HB3 LEU A 68 8.291 7.856 9.242 1.00 0.00 H new ATOM 0 HG LEU A 68 7.016 6.937 7.237 1.00 0.00 H new ATOM 0 HD11 LEU A 68 4.665 6.229 7.657 1.00 0.00 H new ATOM 0 HD12 LEU A 68 5.834 5.083 8.355 1.00 0.00 H new ATOM 0 HD13 LEU A 68 4.987 6.242 9.407 1.00 0.00 H new ATOM 0 HD21 LEU A 68 5.148 8.592 7.530 1.00 0.00 H new ATOM 0 HD22 LEU A 68 5.507 8.660 9.272 1.00 0.00 H new ATOM 0 HD23 LEU A 68 6.702 9.253 8.094 1.00 0.00 H new ATOM 1159 N PHE A 69 9.069 4.904 6.816 1.00 0.00 N ATOM 1160 CA PHE A 69 9.550 4.941 5.430 1.00 0.00 C ATOM 1161 C PHE A 69 8.645 5.820 4.553 1.00 0.00 C ATOM 1162 O PHE A 69 9.130 6.741 3.891 1.00 0.00 O ATOM 1163 CB PHE A 69 9.641 3.503 4.895 1.00 0.00 C ATOM 1164 CG PHE A 69 9.861 3.383 3.396 1.00 0.00 C ATOM 1165 CD1 PHE A 69 8.988 2.600 2.615 1.00 0.00 C ATOM 1166 CD2 PHE A 69 10.937 4.045 2.775 1.00 0.00 C ATOM 1167 CE1 PHE A 69 9.189 2.477 1.229 1.00 0.00 C ATOM 1168 CE2 PHE A 69 11.125 3.941 1.385 1.00 0.00 C ATOM 1169 CZ PHE A 69 10.248 3.160 0.608 1.00 0.00 C ATOM 0 H PHE A 69 8.462 4.105 7.001 1.00 0.00 H new ATOM 0 HA PHE A 69 10.542 5.391 5.400 1.00 0.00 H new ATOM 0 HB2 PHE A 69 10.456 2.993 5.408 1.00 0.00 H new ATOM 0 HB3 PHE A 69 8.722 2.977 5.155 1.00 0.00 H new ATOM 0 HD1 PHE A 69 8.159 2.091 3.084 1.00 0.00 H new ATOM 0 HD2 PHE A 69 11.620 4.635 3.368 1.00 0.00 H new ATOM 0 HE1 PHE A 69 8.529 1.857 0.641 1.00 0.00 H new ATOM 0 HE2 PHE A 69 11.945 4.462 0.912 1.00 0.00 H new ATOM 0 HZ PHE A 69 10.389 3.086 -0.460 1.00 0.00 H new ATOM 1179 N ALA A 70 7.333 5.561 4.574 1.00 0.00 N ATOM 1180 CA ALA A 70 6.330 6.298 3.802 1.00 0.00 C ATOM 1181 C ALA A 70 4.920 6.184 4.412 1.00 0.00 C ATOM 1182 O ALA A 70 4.642 5.262 5.184 1.00 0.00 O ATOM 1183 CB ALA A 70 6.326 5.762 2.366 1.00 0.00 C ATOM 0 H ALA A 70 6.931 4.815 5.142 1.00 0.00 H new ATOM 0 HA ALA A 70 6.596 7.355 3.818 1.00 0.00 H new ATOM 0 HB1 ALA A 70 5.583 6.302 1.778 1.00 0.00 H new ATOM 0 HB2 ALA A 70 7.312 5.903 1.922 1.00 0.00 H new ATOM 0 HB3 ALA A 70 6.080 4.700 2.375 1.00 0.00 H new ATOM 1189 N GLN A 71 4.021 7.095 4.020 1.00 0.00 N ATOM 1190 CA GLN A 71 2.595 7.058 4.364 1.00 0.00 C ATOM 1191 C GLN A 71 1.693 7.544 3.212 1.00 0.00 C ATOM 1192 O GLN A 71 1.994 8.553 2.572 1.00 0.00 O ATOM 1193 CB GLN A 71 2.327 7.812 5.682 1.00 0.00 C ATOM 1194 CG GLN A 71 2.757 9.291 5.702 1.00 0.00 C ATOM 1195 CD GLN A 71 2.615 9.944 7.080 1.00 0.00 C ATOM 1196 OE1 GLN A 71 1.994 9.434 8.006 1.00 0.00 O ATOM 1197 NE2 GLN A 71 3.197 11.106 7.280 1.00 0.00 N ATOM 0 H GLN A 71 4.271 7.897 3.441 1.00 0.00 H new ATOM 0 HA GLN A 71 2.327 6.014 4.524 1.00 0.00 H new ATOM 0 HB2 GLN A 71 1.260 7.759 5.899 1.00 0.00 H new ATOM 0 HB3 GLN A 71 2.843 7.291 6.489 1.00 0.00 H new ATOM 0 HG2 GLN A 71 3.795 9.365 5.378 1.00 0.00 H new ATOM 0 HG3 GLN A 71 2.157 9.846 4.981 1.00 0.00 H new ATOM 0 HE21 GLN A 71 3.720 11.551 6.526 1.00 0.00 H new ATOM 0 HE22 GLN A 71 3.126 11.562 8.190 1.00 0.00 H new ATOM 1206 N ALA A 72 0.583 6.840 2.956 1.00 0.00 N ATOM 1207 CA ALA A 72 -0.427 7.169 1.942 1.00 0.00 C ATOM 1208 C ALA A 72 -1.845 7.276 2.565 1.00 0.00 C ATOM 1209 O ALA A 72 -2.384 6.249 2.992 1.00 0.00 O ATOM 1210 CB ALA A 72 -0.429 6.086 0.852 1.00 0.00 C ATOM 0 H ALA A 72 0.355 5.990 3.471 1.00 0.00 H new ATOM 0 HA ALA A 72 -0.172 8.137 1.511 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -1.178 6.329 0.099 1.00 0.00 H new ATOM 0 HB2 ALA A 72 0.554 6.039 0.384 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -0.664 5.120 1.299 1.00 0.00 H new ATOM 1216 N PRO A 73 -2.488 8.461 2.608 1.00 0.00 N ATOM 1217 CA PRO A 73 -3.877 8.609 3.067 1.00 0.00 C ATOM 1218 C PRO A 73 -4.893 8.176 1.994 1.00 0.00 C ATOM 1219 O PRO A 73 -4.747 8.552 0.829 1.00 0.00 O ATOM 1220 CB PRO A 73 -4.019 10.093 3.416 1.00 0.00 C ATOM 1221 CG PRO A 73 -3.028 10.785 2.479 1.00 0.00 C ATOM 1222 CD PRO A 73 -1.893 9.768 2.350 1.00 0.00 C ATOM 0 HA PRO A 73 -4.087 7.966 3.922 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -5.037 10.447 3.253 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -3.779 10.283 4.462 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -3.479 11.009 1.512 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -2.676 11.730 2.893 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -1.449 9.804 1.355 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -1.096 9.981 3.063 1.00 0.00 H new ATOM 1230 N VAL A 74 -5.939 7.430 2.362 1.00 0.00 N ATOM 1231 CA VAL A 74 -6.962 6.888 1.444 1.00 0.00 C ATOM 1232 C VAL A 74 -8.383 7.205 1.882 1.00 0.00 C ATOM 1233 O VAL A 74 -8.755 6.928 3.015 1.00 0.00 O ATOM 1234 CB VAL A 74 -6.788 5.372 1.241 1.00 0.00 C ATOM 1235 CG1 VAL A 74 -6.871 4.480 2.478 1.00 0.00 C ATOM 1236 CG2 VAL A 74 -7.779 4.823 0.208 1.00 0.00 C ATOM 0 H VAL A 74 -6.108 7.175 3.335 1.00 0.00 H new ATOM 0 HA VAL A 74 -6.803 7.390 0.490 1.00 0.00 H new ATOM 0 HB VAL A 74 -5.754 5.318 0.900 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -6.731 3.439 2.186 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -6.093 4.766 3.186 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -7.848 4.597 2.946 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -7.626 3.750 0.091 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -8.798 5.010 0.547 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -7.618 5.318 -0.749 1.00 0.00 H new ATOM 1246 N GLU A 75 -9.201 7.716 0.956 1.00 0.00 N ATOM 1247 CA GLU A 75 -10.608 8.068 1.190 1.00 0.00 C ATOM 1248 C GLU A 75 -11.592 7.166 0.420 1.00 0.00 C ATOM 1249 O GLU A 75 -12.808 7.327 0.555 1.00 0.00 O ATOM 1250 CB GLU A 75 -10.837 9.549 0.832 1.00 0.00 C ATOM 1251 CG GLU A 75 -10.094 10.517 1.759 1.00 0.00 C ATOM 1252 CD GLU A 75 -10.373 11.980 1.360 1.00 0.00 C ATOM 1253 OE1 GLU A 75 -11.444 12.523 1.728 1.00 0.00 O ATOM 1254 OE2 GLU A 75 -9.523 12.600 0.676 1.00 0.00 O ATOM 0 H GLU A 75 -8.897 7.901 0.000 1.00 0.00 H new ATOM 0 HA GLU A 75 -10.811 7.906 2.249 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -10.516 9.721 -0.195 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -11.905 9.765 0.873 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -10.405 10.351 2.790 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -9.023 10.321 1.714 1.00 0.00 H new ATOM 1261 N GLN A 76 -11.090 6.234 -0.402 1.00 0.00 N ATOM 1262 CA GLN A 76 -11.868 5.300 -1.212 1.00 0.00 C ATOM 1263 C GLN A 76 -11.042 4.062 -1.605 1.00 0.00 C ATOM 1264 O GLN A 76 -9.870 4.195 -1.969 1.00 0.00 O ATOM 1265 CB GLN A 76 -12.432 6.014 -2.460 1.00 0.00 C ATOM 1266 CG GLN A 76 -11.456 6.381 -3.596 1.00 0.00 C ATOM 1267 CD GLN A 76 -10.337 7.347 -3.208 1.00 0.00 C ATOM 1268 OE1 GLN A 76 -10.464 8.560 -3.289 1.00 0.00 O ATOM 1269 NE2 GLN A 76 -9.190 6.850 -2.789 1.00 0.00 N ATOM 0 H GLN A 76 -10.085 6.109 -0.522 1.00 0.00 H new ATOM 0 HA GLN A 76 -12.704 4.947 -0.608 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -13.211 5.379 -2.883 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -12.915 6.933 -2.127 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -11.006 5.464 -3.977 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -12.026 6.821 -4.415 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -9.068 5.840 -2.716 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -8.424 7.476 -2.538 1.00 0.00 H new ATOM 1278 N TYR A 77 -11.657 2.877 -1.595 1.00 0.00 N ATOM 1279 CA TYR A 77 -11.037 1.620 -2.039 1.00 0.00 C ATOM 1280 C TYR A 77 -11.937 0.817 -3.006 1.00 0.00 C ATOM 1281 O TYR A 77 -13.087 0.538 -2.649 1.00 0.00 O ATOM 1282 CB TYR A 77 -10.645 0.766 -0.820 1.00 0.00 C ATOM 1283 CG TYR A 77 -9.735 -0.409 -1.133 1.00 0.00 C ATOM 1284 CD1 TYR A 77 -8.562 -0.174 -1.864 1.00 0.00 C ATOM 1285 CD2 TYR A 77 -10.002 -1.709 -0.656 1.00 0.00 C ATOM 1286 CE1 TYR A 77 -7.653 -1.207 -2.124 1.00 0.00 C ATOM 1287 CE2 TYR A 77 -9.103 -2.760 -0.935 1.00 0.00 C ATOM 1288 CZ TYR A 77 -7.919 -2.512 -1.664 1.00 0.00 C ATOM 1289 OH TYR A 77 -7.031 -3.515 -1.897 1.00 0.00 O ATOM 0 H TYR A 77 -12.618 2.759 -1.273 1.00 0.00 H new ATOM 0 HA TYR A 77 -10.140 1.883 -2.600 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -10.151 1.406 -0.089 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -11.554 0.389 -0.351 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -8.356 0.820 -2.233 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -10.894 -1.900 -0.078 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -6.748 -1.003 -2.677 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -9.321 -3.760 -0.589 1.00 0.00 H new ATOM 0 HH TYR A 77 -6.124 -3.146 -1.939 1.00 0.00 H new ATOM 1299 N PRO A 78 -11.445 0.402 -4.195 1.00 0.00 N ATOM 1300 CA PRO A 78 -10.178 0.795 -4.835 1.00 0.00 C ATOM 1301 C PRO A 78 -10.064 2.304 -5.113 1.00 0.00 C ATOM 1302 O PRO A 78 -11.074 3.005 -5.216 1.00 0.00 O ATOM 1303 CB PRO A 78 -10.099 -0.008 -6.141 1.00 0.00 C ATOM 1304 CG PRO A 78 -11.002 -1.210 -5.876 1.00 0.00 C ATOM 1305 CD PRO A 78 -12.108 -0.595 -5.022 1.00 0.00 C ATOM 0 HA PRO A 78 -9.349 0.580 -4.161 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -10.448 0.576 -6.993 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -9.077 -0.315 -6.362 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -11.391 -1.639 -6.799 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -10.476 -2.007 -5.350 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -12.879 -0.140 -5.644 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -12.598 -1.351 -4.409 1.00 0.00 H new ATOM 1313 N GLY A 79 -8.836 2.809 -5.246 1.00 0.00 N ATOM 1314 CA GLY A 79 -8.556 4.212 -5.565 1.00 0.00 C ATOM 1315 C GLY A 79 -7.098 4.462 -5.958 1.00 0.00 C ATOM 1316 O GLY A 79 -6.312 3.532 -6.130 1.00 0.00 O ATOM 0 H GLY A 79 -7.993 2.246 -5.133 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -9.205 4.529 -6.382 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -8.804 4.830 -4.702 1.00 0.00 H new ATOM 1320 N ILE A 80 -6.708 5.733 -6.064 1.00 0.00 N ATOM 1321 CA ILE A 80 -5.344 6.131 -6.452 1.00 0.00 C ATOM 1322 C ILE A 80 -4.360 5.966 -5.287 1.00 0.00 C ATOM 1323 O ILE A 80 -3.162 5.779 -5.491 1.00 0.00 O ATOM 1324 CB ILE A 80 -5.354 7.562 -7.041 1.00 0.00 C ATOM 1325 CG1 ILE A 80 -4.030 7.968 -7.722 1.00 0.00 C ATOM 1326 CG2 ILE A 80 -5.693 8.629 -5.982 1.00 0.00 C ATOM 1327 CD1 ILE A 80 -3.559 7.012 -8.826 1.00 0.00 C ATOM 0 H ILE A 80 -7.328 6.522 -5.883 1.00 0.00 H new ATOM 0 HA ILE A 80 -4.989 5.463 -7.237 1.00 0.00 H new ATOM 0 HB ILE A 80 -6.135 7.525 -7.800 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -4.147 8.964 -8.148 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -3.252 8.036 -6.962 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -5.687 9.616 -6.445 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -6.681 8.429 -5.567 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -4.951 8.598 -5.184 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -2.622 7.376 -9.248 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -3.406 6.018 -8.406 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -4.314 6.961 -9.610 1.00 0.00 H new ATOM 1339 N ALA A 81 -4.875 5.984 -4.051 1.00 0.00 N ATOM 1340 CA ALA A 81 -4.078 5.783 -2.855 1.00 0.00 C ATOM 1341 C ALA A 81 -3.819 4.307 -2.529 1.00 0.00 C ATOM 1342 O ALA A 81 -2.916 4.032 -1.748 1.00 0.00 O ATOM 1343 CB ALA A 81 -4.743 6.492 -1.676 1.00 0.00 C ATOM 0 H ALA A 81 -5.865 6.140 -3.862 1.00 0.00 H new ATOM 0 HA ALA A 81 -3.097 6.216 -3.048 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -4.145 6.342 -0.777 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -4.818 7.559 -1.888 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -5.741 6.082 -1.521 1.00 0.00 H new ATOM 1349 N VAL A 82 -4.582 3.376 -3.110 1.00 0.00 N ATOM 1350 CA VAL A 82 -4.342 1.928 -3.042 1.00 0.00 C ATOM 1351 C VAL A 82 -5.120 1.206 -4.152 1.00 0.00 C ATOM 1352 O VAL A 82 -6.352 1.233 -4.203 1.00 0.00 O ATOM 1353 CB VAL A 82 -4.635 1.365 -1.644 1.00 0.00 C ATOM 1354 CG1 VAL A 82 -6.001 1.710 -1.058 1.00 0.00 C ATOM 1355 CG2 VAL A 82 -4.255 -0.112 -1.554 1.00 0.00 C ATOM 0 H VAL A 82 -5.409 3.615 -3.657 1.00 0.00 H new ATOM 0 HA VAL A 82 -3.282 1.745 -3.216 1.00 0.00 H new ATOM 0 HB VAL A 82 -3.975 1.907 -0.967 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -6.097 1.260 -0.070 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -6.098 2.792 -0.975 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -6.785 1.324 -1.710 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -4.474 -0.484 -0.553 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -4.829 -0.681 -2.285 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -3.191 -0.227 -1.759 1.00 0.00 H new ATOM 1365 N GLU A 83 -4.379 0.560 -5.050 1.00 0.00 N ATOM 1366 CA GLU A 83 -4.864 -0.093 -6.273 1.00 0.00 C ATOM 1367 C GLU A 83 -4.245 -1.486 -6.438 1.00 0.00 C ATOM 1368 O GLU A 83 -3.097 -1.713 -6.053 1.00 0.00 O ATOM 1369 CB GLU A 83 -4.520 0.785 -7.497 1.00 0.00 C ATOM 1370 CG GLU A 83 -5.719 1.095 -8.402 1.00 0.00 C ATOM 1371 CD GLU A 83 -6.225 -0.141 -9.165 1.00 0.00 C ATOM 1372 OE1 GLU A 83 -6.939 -0.972 -8.554 1.00 0.00 O ATOM 1373 OE2 GLU A 83 -5.920 -0.272 -10.374 1.00 0.00 O ATOM 0 H GLU A 83 -3.369 0.471 -4.942 1.00 0.00 H new ATOM 0 HA GLU A 83 -5.945 -0.211 -6.197 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -4.090 1.724 -7.148 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -3.753 0.283 -8.087 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -6.530 1.500 -7.797 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -5.438 1.868 -9.117 1.00 0.00 H new ATOM 1380 N THR A 84 -4.965 -2.411 -7.070 1.00 0.00 N ATOM 1381 CA THR A 84 -4.447 -3.726 -7.455 1.00 0.00 C ATOM 1382 C THR A 84 -3.977 -3.648 -8.896 1.00 0.00 C ATOM 1383 O THR A 84 -4.758 -3.760 -9.837 1.00 0.00 O ATOM 1384 CB THR A 84 -5.476 -4.850 -7.296 1.00 0.00 C ATOM 1385 OG1 THR A 84 -6.319 -4.655 -6.177 1.00 0.00 O ATOM 1386 CG2 THR A 84 -4.781 -6.193 -7.106 1.00 0.00 C ATOM 0 H THR A 84 -5.940 -2.267 -7.334 1.00 0.00 H new ATOM 0 HA THR A 84 -3.624 -3.974 -6.785 1.00 0.00 H new ATOM 0 HB THR A 84 -6.073 -4.839 -8.208 1.00 0.00 H new ATOM 0 HG1 THR A 84 -6.959 -5.395 -6.117 1.00 0.00 H new ATOM 0 HG21 THR A 84 -5.530 -6.978 -6.995 1.00 0.00 H new ATOM 0 HG22 THR A 84 -4.158 -6.406 -7.974 1.00 0.00 H new ATOM 0 HG23 THR A 84 -4.158 -6.157 -6.212 1.00 0.00 H new ATOM 1394 N VAL A 85 -2.668 -3.443 -9.021 1.00 0.00 N ATOM 1395 CA VAL A 85 -1.788 -3.719 -10.174 1.00 0.00 C ATOM 1396 C VAL A 85 -2.493 -4.016 -11.503 1.00 0.00 C ATOM 1397 O VAL A 85 -2.514 -3.164 -12.392 1.00 0.00 O ATOM 1398 CB VAL A 85 -0.777 -4.825 -9.808 1.00 0.00 C ATOM 1399 CG1 VAL A 85 0.370 -4.172 -9.035 1.00 0.00 C ATOM 1400 CG2 VAL A 85 -1.352 -5.958 -8.943 1.00 0.00 C ATOM 0 H VAL A 85 -2.138 -3.041 -8.248 1.00 0.00 H new ATOM 0 HA VAL A 85 -1.269 -2.781 -10.370 1.00 0.00 H new ATOM 0 HB VAL A 85 -0.462 -5.284 -10.745 1.00 0.00 H new ATOM 0 HG11 VAL A 85 1.103 -4.931 -8.762 1.00 0.00 H new ATOM 0 HG12 VAL A 85 0.846 -3.416 -9.660 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -0.021 -3.703 -8.132 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -0.571 -6.689 -8.735 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -1.723 -5.547 -8.004 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -2.170 -6.443 -9.475 1.00 0.00 H new ATOM 1410 N THR A 86 -3.079 -5.205 -11.615 1.00 0.00 N ATOM 1411 CA THR A 86 -4.187 -5.529 -12.527 1.00 0.00 C ATOM 1412 C THR A 86 -5.214 -6.401 -11.809 1.00 0.00 C ATOM 1413 O THR A 86 -6.388 -6.040 -11.740 1.00 0.00 O ATOM 1414 CB THR A 86 -3.727 -6.260 -13.795 1.00 0.00 C ATOM 1415 OG1 THR A 86 -2.752 -7.222 -13.479 1.00 0.00 O ATOM 1416 CG2 THR A 86 -3.092 -5.298 -14.787 1.00 0.00 C ATOM 0 H THR A 86 -2.788 -6.005 -11.053 1.00 0.00 H new ATOM 0 HA THR A 86 -4.624 -4.578 -12.830 1.00 0.00 H new ATOM 0 HB THR A 86 -4.612 -6.723 -14.230 1.00 0.00 H new ATOM 0 HG1 THR A 86 -2.469 -7.682 -14.297 1.00 0.00 H new ATOM 0 HG21 THR A 86 -2.777 -5.846 -15.675 1.00 0.00 H new ATOM 0 HG22 THR A 86 -3.818 -4.536 -15.070 1.00 0.00 H new ATOM 0 HG23 THR A 86 -2.226 -4.821 -14.328 1.00 0.00 H new ATOM 1424 N ASP A 87 -4.768 -7.532 -11.246 1.00 0.00 N ATOM 1425 CA ASP A 87 -5.660 -8.549 -10.663 1.00 0.00 C ATOM 1426 C ASP A 87 -5.034 -9.384 -9.524 1.00 0.00 C ATOM 1427 O ASP A 87 -5.552 -9.317 -8.410 1.00 0.00 O ATOM 1428 CB ASP A 87 -6.173 -9.464 -11.778 1.00 0.00 C ATOM 1429 CG ASP A 87 -7.301 -8.853 -12.628 1.00 0.00 C ATOM 1430 OD1 ASP A 87 -7.085 -8.596 -13.836 1.00 0.00 O ATOM 1431 OD2 ASP A 87 -8.428 -8.694 -12.100 1.00 0.00 O ATOM 0 H ASP A 87 -3.778 -7.770 -11.181 1.00 0.00 H new ATOM 0 HA ASP A 87 -6.480 -8.006 -10.194 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -5.340 -9.723 -12.432 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -6.531 -10.393 -11.334 1.00 0.00 H new ATOM 1436 N SER A 88 -3.955 -10.165 -9.740 1.00 0.00 N ATOM 1437 CA SER A 88 -3.313 -10.942 -8.653 1.00 0.00 C ATOM 1438 C SER A 88 -2.786 -10.084 -7.494 1.00 0.00 C ATOM 1439 O SER A 88 -1.683 -9.534 -7.533 1.00 0.00 O ATOM 1440 CB SER A 88 -2.170 -11.851 -9.119 1.00 0.00 C ATOM 1441 OG SER A 88 -2.607 -12.788 -10.083 1.00 0.00 O ATOM 0 H SER A 88 -3.510 -10.276 -10.651 1.00 0.00 H new ATOM 0 HA SER A 88 -4.138 -11.559 -8.298 1.00 0.00 H new ATOM 0 HB2 SER A 88 -1.370 -11.242 -9.540 1.00 0.00 H new ATOM 0 HB3 SER A 88 -1.752 -12.379 -8.262 1.00 0.00 H new ATOM 0 HG SER A 88 -1.853 -13.350 -10.359 1.00 0.00 H new ATOM 1447 N SER A 89 -3.537 -10.051 -6.398 1.00 0.00 N ATOM 1448 CA SER A 89 -3.239 -9.288 -5.187 1.00 0.00 C ATOM 1449 C SER A 89 -2.223 -9.968 -4.251 1.00 0.00 C ATOM 1450 O SER A 89 -2.444 -10.074 -3.045 1.00 0.00 O ATOM 1451 CB SER A 89 -4.556 -8.860 -4.528 1.00 0.00 C ATOM 1452 OG SER A 89 -5.490 -9.928 -4.421 1.00 0.00 O ATOM 0 H SER A 89 -4.408 -10.577 -6.324 1.00 0.00 H new ATOM 0 HA SER A 89 -2.704 -8.380 -5.465 1.00 0.00 H new ATOM 0 HB2 SER A 89 -4.348 -8.464 -3.534 1.00 0.00 H new ATOM 0 HB3 SER A 89 -5.001 -8.051 -5.107 1.00 0.00 H new ATOM 0 HG SER A 89 -5.853 -9.955 -3.511 1.00 0.00 H new ATOM 1458 N ARG A 90 -1.073 -10.400 -4.803 1.00 0.00 N ATOM 1459 CA ARG A 90 0.221 -10.393 -4.077 1.00 0.00 C ATOM 1460 C ARG A 90 0.825 -8.981 -4.053 1.00 0.00 C ATOM 1461 O ARG A 90 1.615 -8.656 -3.164 1.00 0.00 O ATOM 1462 CB ARG A 90 1.216 -11.402 -4.692 1.00 0.00 C ATOM 1463 CG ARG A 90 2.408 -11.665 -3.742 1.00 0.00 C ATOM 1464 CD ARG A 90 3.397 -12.725 -4.248 1.00 0.00 C ATOM 1465 NE ARG A 90 4.364 -12.192 -5.233 1.00 0.00 N ATOM 1466 CZ ARG A 90 5.610 -11.806 -5.001 1.00 0.00 C ATOM 1467 NH1 ARG A 90 6.406 -11.536 -5.993 1.00 0.00 N ATOM 1468 NH2 ARG A 90 6.104 -11.667 -3.805 1.00 0.00 N ATOM 0 H ARG A 90 -1.009 -10.761 -5.755 1.00 0.00 H new ATOM 0 HA ARG A 90 0.026 -10.701 -3.050 1.00 0.00 H new ATOM 0 HB2 ARG A 90 0.702 -12.340 -4.903 1.00 0.00 H new ATOM 0 HB3 ARG A 90 1.584 -11.019 -5.644 1.00 0.00 H new ATOM 0 HG2 ARG A 90 2.945 -10.730 -3.584 1.00 0.00 H new ATOM 0 HG3 ARG A 90 2.022 -11.979 -2.772 1.00 0.00 H new ATOM 0 HD2 ARG A 90 3.942 -13.139 -3.400 1.00 0.00 H new ATOM 0 HD3 ARG A 90 2.841 -13.546 -4.701 1.00 0.00 H new ATOM 0 HE ARG A 90 4.036 -12.113 -6.195 1.00 0.00 H new ATOM 0 HH11 ARG A 90 6.072 -11.621 -6.953 1.00 0.00 H new ATOM 0 HH12 ARG A 90 7.365 -11.239 -5.811 1.00 0.00 H new ATOM 0 HH21 ARG A 90 5.524 -11.858 -2.988 1.00 0.00 H new ATOM 0 HH22 ARG A 90 7.071 -11.367 -3.684 1.00 0.00 H new ATOM 1482 N TYR A 91 0.434 -8.151 -5.021 1.00 0.00 N ATOM 1483 CA TYR A 91 0.937 -6.795 -5.225 1.00 0.00 C ATOM 1484 C TYR A 91 -0.152 -5.728 -5.124 1.00 0.00 C ATOM 1485 O TYR A 91 -1.332 -6.006 -5.355 1.00 0.00 O ATOM 1486 CB TYR A 91 1.577 -6.673 -6.610 1.00 0.00 C ATOM 1487 CG TYR A 91 2.433 -7.830 -7.056 1.00 0.00 C ATOM 1488 CD1 TYR A 91 1.921 -8.751 -7.991 1.00 0.00 C ATOM 1489 CD2 TYR A 91 3.737 -7.962 -6.554 1.00 0.00 C ATOM 1490 CE1 TYR A 91 2.718 -9.816 -8.440 1.00 0.00 C ATOM 1491 CE2 TYR A 91 4.536 -9.032 -6.996 1.00 0.00 C ATOM 1492 CZ TYR A 91 4.026 -9.966 -7.928 1.00 0.00 C ATOM 1493 OH TYR A 91 4.799 -11.018 -8.306 1.00 0.00 O ATOM 0 H TYR A 91 -0.269 -8.417 -5.710 1.00 0.00 H new ATOM 0 HA TYR A 91 1.663 -6.624 -4.430 1.00 0.00 H new ATOM 0 HB2 TYR A 91 0.782 -6.534 -7.343 1.00 0.00 H new ATOM 0 HB3 TYR A 91 2.187 -5.770 -6.626 1.00 0.00 H new ATOM 0 HD1 TYR A 91 0.913 -8.638 -8.363 1.00 0.00 H new ATOM 0 HD2 TYR A 91 4.122 -7.251 -5.838 1.00 0.00 H new ATOM 0 HE1 TYR A 91 2.335 -10.514 -9.170 1.00 0.00 H new ATOM 0 HE2 TYR A 91 5.543 -9.141 -6.622 1.00 0.00 H new ATOM 0 HH TYR A 91 4.559 -11.290 -9.216 1.00 0.00 H new ATOM 1503 N PHE A 92 0.279 -4.491 -4.884 1.00 0.00 N ATOM 1504 CA PHE A 92 -0.541 -3.277 -4.939 1.00 0.00 C ATOM 1505 C PHE A 92 0.276 -2.089 -5.448 1.00 0.00 C ATOM 1506 O PHE A 92 1.495 -2.177 -5.587 1.00 0.00 O ATOM 1507 CB PHE A 92 -1.110 -2.961 -3.547 1.00 0.00 C ATOM 1508 CG PHE A 92 -1.957 -4.082 -2.994 1.00 0.00 C ATOM 1509 CD1 PHE A 92 -1.391 -4.989 -2.083 1.00 0.00 C ATOM 1510 CD2 PHE A 92 -3.278 -4.261 -3.446 1.00 0.00 C ATOM 1511 CE1 PHE A 92 -2.151 -6.069 -1.619 1.00 0.00 C ATOM 1512 CE2 PHE A 92 -4.033 -5.356 -2.992 1.00 0.00 C ATOM 1513 CZ PHE A 92 -3.468 -6.260 -2.077 1.00 0.00 C ATOM 0 H PHE A 92 1.249 -4.297 -4.635 1.00 0.00 H new ATOM 0 HA PHE A 92 -1.363 -3.453 -5.633 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -0.288 -2.760 -2.860 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -1.709 -2.052 -3.602 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -0.375 -4.854 -1.742 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -3.711 -3.557 -4.141 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -1.725 -6.759 -0.906 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -5.043 -5.502 -3.345 1.00 0.00 H new ATOM 0 HZ PHE A 92 -4.045 -7.102 -1.725 1.00 0.00 H new ATOM 1523 N VAL A 93 -0.386 -0.958 -5.673 1.00 0.00 N ATOM 1524 CA VAL A 93 0.238 0.359 -5.838 1.00 0.00 C ATOM 1525 C VAL A 93 -0.444 1.352 -4.907 1.00 0.00 C ATOM 1526 O VAL A 93 -1.672 1.403 -4.882 1.00 0.00 O ATOM 1527 CB VAL A 93 0.158 0.841 -7.297 1.00 0.00 C ATOM 1528 CG1 VAL A 93 0.804 2.222 -7.443 1.00 0.00 C ATOM 1529 CG2 VAL A 93 0.862 -0.146 -8.236 1.00 0.00 C ATOM 0 H VAL A 93 -1.403 -0.927 -5.749 1.00 0.00 H new ATOM 0 HA VAL A 93 1.295 0.282 -5.582 1.00 0.00 H new ATOM 0 HB VAL A 93 -0.896 0.903 -7.569 1.00 0.00 H new ATOM 0 HG11 VAL A 93 0.738 2.547 -8.481 1.00 0.00 H new ATOM 0 HG12 VAL A 93 0.283 2.937 -6.806 1.00 0.00 H new ATOM 0 HG13 VAL A 93 1.851 2.167 -7.146 1.00 0.00 H new ATOM 0 HG21 VAL A 93 0.793 0.215 -9.262 1.00 0.00 H new ATOM 0 HG22 VAL A 93 1.911 -0.233 -7.952 1.00 0.00 H new ATOM 0 HG23 VAL A 93 0.384 -1.123 -8.162 1.00 0.00 H new ATOM 1539 N ILE A 94 0.326 2.148 -4.163 1.00 0.00 N ATOM 1540 CA ILE A 94 -0.187 3.222 -3.302 1.00 0.00 C ATOM 1541 C ILE A 94 0.470 4.562 -3.682 1.00 0.00 C ATOM 1542 O ILE A 94 1.654 4.593 -4.039 1.00 0.00 O ATOM 1543 CB ILE A 94 -0.046 2.866 -1.792 1.00 0.00 C ATOM 1544 CG1 ILE A 94 1.420 2.837 -1.320 1.00 0.00 C ATOM 1545 CG2 ILE A 94 -0.697 1.505 -1.470 1.00 0.00 C ATOM 1546 CD1 ILE A 94 1.543 2.752 0.201 1.00 0.00 C ATOM 0 H ILE A 94 1.342 2.065 -4.140 1.00 0.00 H new ATOM 0 HA ILE A 94 -1.258 3.333 -3.471 1.00 0.00 H new ATOM 0 HB ILE A 94 -0.565 3.660 -1.256 1.00 0.00 H new ATOM 0 HG12 ILE A 94 1.927 1.984 -1.771 1.00 0.00 H new ATOM 0 HG13 ILE A 94 1.930 3.733 -1.673 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -0.580 1.288 -0.408 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -1.758 1.541 -1.718 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -0.214 0.723 -2.056 1.00 0.00 H new ATOM 0 HD11 ILE A 94 2.596 2.734 0.480 1.00 0.00 H new ATOM 0 HD12 ILE A 94 1.062 3.619 0.654 1.00 0.00 H new ATOM 0 HD13 ILE A 94 1.059 1.842 0.555 1.00 0.00 H new ATOM 1558 N ARG A 95 -0.273 5.677 -3.594 1.00 0.00 N ATOM 1559 CA ARG A 95 0.299 7.035 -3.705 1.00 0.00 C ATOM 1560 C ARG A 95 0.600 7.586 -2.315 1.00 0.00 C ATOM 1561 O ARG A 95 -0.318 7.825 -1.535 1.00 0.00 O ATOM 1562 CB ARG A 95 -0.508 7.957 -4.650 1.00 0.00 C ATOM 1563 CG ARG A 95 -1.734 8.708 -4.107 1.00 0.00 C ATOM 1564 CD ARG A 95 -1.413 10.017 -3.368 1.00 0.00 C ATOM 1565 NE ARG A 95 -2.630 10.579 -2.752 1.00 0.00 N ATOM 1566 CZ ARG A 95 -3.231 10.112 -1.673 1.00 0.00 C ATOM 1567 NH1 ARG A 95 -4.373 10.584 -1.273 1.00 0.00 N ATOM 1568 NH2 ARG A 95 -2.737 9.141 -0.965 1.00 0.00 N ATOM 0 H ARG A 95 -1.282 5.667 -3.445 1.00 0.00 H new ATOM 0 HA ARG A 95 1.262 6.983 -4.214 1.00 0.00 H new ATOM 0 HB2 ARG A 95 0.182 8.701 -5.048 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -0.842 7.350 -5.492 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -2.403 8.931 -4.938 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -2.276 8.048 -3.429 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -0.662 9.832 -2.600 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -0.985 10.738 -4.064 1.00 0.00 H new ATOM 0 HE ARG A 95 -3.042 11.398 -3.198 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -4.827 11.333 -1.796 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -4.816 10.206 -0.436 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -1.853 8.710 -1.236 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -3.233 8.809 -0.138 1.00 0.00 H new ATOM 1582 N ILE A 96 1.873 7.766 -1.997 1.00 0.00 N ATOM 1583 CA ILE A 96 2.383 8.249 -0.706 1.00 0.00 C ATOM 1584 C ILE A 96 2.655 9.755 -0.738 1.00 0.00 C ATOM 1585 O ILE A 96 2.930 10.313 -1.798 1.00 0.00 O ATOM 1586 CB ILE A 96 3.655 7.472 -0.296 1.00 0.00 C ATOM 1587 CG1 ILE A 96 4.730 7.517 -1.404 1.00 0.00 C ATOM 1588 CG2 ILE A 96 3.302 6.019 0.062 1.00 0.00 C ATOM 1589 CD1 ILE A 96 6.126 7.182 -0.895 1.00 0.00 C ATOM 0 H ILE A 96 2.623 7.572 -2.661 1.00 0.00 H new ATOM 0 HA ILE A 96 1.611 8.069 0.043 1.00 0.00 H new ATOM 0 HB ILE A 96 4.074 7.958 0.585 1.00 0.00 H new ATOM 0 HG12 ILE A 96 4.459 6.816 -2.193 1.00 0.00 H new ATOM 0 HG13 ILE A 96 4.741 8.511 -1.851 1.00 0.00 H new ATOM 0 HG21 ILE A 96 4.208 5.485 0.349 1.00 0.00 H new ATOM 0 HG22 ILE A 96 2.597 6.010 0.893 1.00 0.00 H new ATOM 0 HG23 ILE A 96 2.851 5.531 -0.802 1.00 0.00 H new ATOM 0 HD11 ILE A 96 6.836 7.231 -1.721 1.00 0.00 H new ATOM 0 HD12 ILE A 96 6.414 7.898 -0.126 1.00 0.00 H new ATOM 0 HD13 ILE A 96 6.128 6.177 -0.474 1.00 0.00 H new ATOM 1601 N GLN A 97 2.648 10.401 0.426 1.00 0.00 N ATOM 1602 CA GLN A 97 3.202 11.747 0.622 1.00 0.00 C ATOM 1603 C GLN A 97 4.714 11.679 0.891 1.00 0.00 C ATOM 1604 O GLN A 97 5.168 10.827 1.657 1.00 0.00 O ATOM 1605 CB GLN A 97 2.474 12.427 1.799 1.00 0.00 C ATOM 1606 CG GLN A 97 1.364 13.379 1.334 1.00 0.00 C ATOM 1607 CD GLN A 97 1.924 14.690 0.783 1.00 0.00 C ATOM 1608 OE1 GLN A 97 2.606 15.451 1.459 1.00 0.00 O ATOM 1609 NE2 GLN A 97 1.691 15.004 -0.469 1.00 0.00 N ATOM 0 H GLN A 97 2.252 10.001 1.276 1.00 0.00 H new ATOM 0 HA GLN A 97 3.051 12.333 -0.285 1.00 0.00 H new ATOM 0 HB2 GLN A 97 2.045 11.663 2.446 1.00 0.00 H new ATOM 0 HB3 GLN A 97 3.197 12.982 2.397 1.00 0.00 H new ATOM 0 HG2 GLN A 97 0.766 12.890 0.566 1.00 0.00 H new ATOM 0 HG3 GLN A 97 0.697 13.593 2.169 1.00 0.00 H new ATOM 0 HE21 GLN A 97 1.126 14.387 -1.053 1.00 0.00 H new ATOM 0 HE22 GLN A 97 2.075 15.865 -0.859 1.00 0.00 H new ATOM 1682 N SER A 103 3.714 14.254 -3.605 1.00 0.00 N ATOM 1683 CA SER A 103 3.381 12.822 -3.565 1.00 0.00 C ATOM 1684 C SER A 103 4.164 11.986 -4.589 1.00 0.00 C ATOM 1685 O SER A 103 4.628 12.504 -5.608 1.00 0.00 O ATOM 1686 CB SER A 103 1.870 12.621 -3.763 1.00 0.00 C ATOM 1687 OG SER A 103 1.128 13.250 -2.725 1.00 0.00 O ATOM 0 HA SER A 103 3.677 12.464 -2.579 1.00 0.00 H new ATOM 0 HB2 SER A 103 1.569 13.030 -4.728 1.00 0.00 H new ATOM 0 HB3 SER A 103 1.642 11.555 -3.783 1.00 0.00 H new ATOM 0 HG SER A 103 0.170 13.108 -2.876 1.00 0.00 H new ATOM 1693 N ALA A 104 4.288 10.683 -4.324 1.00 0.00 N ATOM 1694 CA ALA A 104 4.946 9.684 -5.177 1.00 0.00 C ATOM 1695 C ALA A 104 4.141 8.376 -5.242 1.00 0.00 C ATOM 1696 O ALA A 104 3.431 8.036 -4.299 1.00 0.00 O ATOM 1697 CB ALA A 104 6.369 9.441 -4.659 1.00 0.00 C ATOM 0 H ALA A 104 3.915 10.274 -3.467 1.00 0.00 H new ATOM 0 HA ALA A 104 4.997 10.067 -6.196 1.00 0.00 H new ATOM 0 HB1 ALA A 104 6.863 8.700 -5.288 1.00 0.00 H new ATOM 0 HB2 ALA A 104 6.931 10.375 -4.688 1.00 0.00 H new ATOM 0 HB3 ALA A 104 6.325 9.075 -3.633 1.00 0.00 H new ATOM 1703 N PHE A 105 4.269 7.620 -6.334 1.00 0.00 N ATOM 1704 CA PHE A 105 3.623 6.312 -6.501 1.00 0.00 C ATOM 1705 C PHE A 105 4.637 5.185 -6.274 1.00 0.00 C ATOM 1706 O PHE A 105 5.690 5.158 -6.917 1.00 0.00 O ATOM 1707 CB PHE A 105 2.960 6.214 -7.884 1.00 0.00 C ATOM 1708 CG PHE A 105 2.029 7.371 -8.204 1.00 0.00 C ATOM 1709 CD1 PHE A 105 2.531 8.508 -8.868 1.00 0.00 C ATOM 1710 CD2 PHE A 105 0.681 7.342 -7.793 1.00 0.00 C ATOM 1711 CE1 PHE A 105 1.700 9.616 -9.106 1.00 0.00 C ATOM 1712 CE2 PHE A 105 -0.150 8.446 -8.054 1.00 0.00 C ATOM 1713 CZ PHE A 105 0.354 9.583 -8.704 1.00 0.00 C ATOM 0 H PHE A 105 4.830 7.900 -7.138 1.00 0.00 H new ATOM 0 HA PHE A 105 2.838 6.204 -5.753 1.00 0.00 H new ATOM 0 HB2 PHE A 105 3.738 6.165 -8.646 1.00 0.00 H new ATOM 0 HB3 PHE A 105 2.398 5.282 -7.941 1.00 0.00 H new ATOM 0 HD1 PHE A 105 3.560 8.528 -9.196 1.00 0.00 H new ATOM 0 HD2 PHE A 105 0.288 6.476 -7.280 1.00 0.00 H new ATOM 0 HE1 PHE A 105 2.096 10.492 -9.598 1.00 0.00 H new ATOM 0 HE2 PHE A 105 -1.186 8.419 -7.751 1.00 0.00 H new ATOM 0 HZ PHE A 105 -0.290 10.429 -8.894 1.00 0.00 H new ATOM 1723 N ILE A 106 4.317 4.245 -5.381 1.00 0.00 N ATOM 1724 CA ILE A 106 5.114 3.029 -5.149 1.00 0.00 C ATOM 1725 C ILE A 106 4.295 1.752 -5.344 1.00 0.00 C ATOM 1726 O ILE A 106 3.173 1.627 -4.855 1.00 0.00 O ATOM 1727 CB ILE A 106 5.828 3.011 -3.779 1.00 0.00 C ATOM 1728 CG1 ILE A 106 4.881 3.284 -2.588 1.00 0.00 C ATOM 1729 CG2 ILE A 106 7.001 4.008 -3.793 1.00 0.00 C ATOM 1730 CD1 ILE A 106 5.502 2.964 -1.222 1.00 0.00 C ATOM 0 H ILE A 106 3.488 4.304 -4.790 1.00 0.00 H new ATOM 0 HA ILE A 106 5.893 3.055 -5.911 1.00 0.00 H new ATOM 0 HB ILE A 106 6.206 2.000 -3.627 1.00 0.00 H new ATOM 0 HG12 ILE A 106 4.582 4.332 -2.605 1.00 0.00 H new ATOM 0 HG13 ILE A 106 3.974 2.692 -2.713 1.00 0.00 H new ATOM 0 HG21 ILE A 106 7.503 3.993 -2.825 1.00 0.00 H new ATOM 0 HG22 ILE A 106 7.708 3.727 -4.573 1.00 0.00 H new ATOM 0 HG23 ILE A 106 6.623 5.011 -3.991 1.00 0.00 H new ATOM 0 HD11 ILE A 106 4.780 3.180 -0.434 1.00 0.00 H new ATOM 0 HD12 ILE A 106 5.775 1.909 -1.185 1.00 0.00 H new ATOM 0 HD13 ILE A 106 6.393 3.575 -1.075 1.00 0.00 H new ATOM 1742 N GLY A 107 4.902 0.783 -6.032 1.00 0.00 N ATOM 1743 CA GLY A 107 4.417 -0.592 -6.113 1.00 0.00 C ATOM 1744 C GLY A 107 4.901 -1.403 -4.914 1.00 0.00 C ATOM 1745 O GLY A 107 6.064 -1.300 -4.518 1.00 0.00 O ATOM 0 H GLY A 107 5.762 0.938 -6.558 1.00 0.00 H new ATOM 0 HA2 GLY A 107 3.328 -0.598 -6.147 1.00 0.00 H new ATOM 0 HA3 GLY A 107 4.767 -1.053 -7.036 1.00 0.00 H new ATOM 1749 N ILE A 108 4.015 -2.210 -4.342 1.00 0.00 N ATOM 1750 CA ILE A 108 4.279 -3.088 -3.199 1.00 0.00 C ATOM 1751 C ILE A 108 4.143 -4.548 -3.645 1.00 0.00 C ATOM 1752 O ILE A 108 3.275 -4.858 -4.458 1.00 0.00 O ATOM 1753 CB ILE A 108 3.329 -2.793 -2.011 1.00 0.00 C ATOM 1754 CG1 ILE A 108 3.263 -1.272 -1.725 1.00 0.00 C ATOM 1755 CG2 ILE A 108 3.806 -3.581 -0.783 1.00 0.00 C ATOM 1756 CD1 ILE A 108 2.580 -0.882 -0.411 1.00 0.00 C ATOM 0 H ILE A 108 3.052 -2.276 -4.673 1.00 0.00 H new ATOM 0 HA ILE A 108 5.294 -2.900 -2.849 1.00 0.00 H new ATOM 0 HB ILE A 108 2.317 -3.112 -2.261 1.00 0.00 H new ATOM 0 HG12 ILE A 108 4.278 -0.876 -1.719 1.00 0.00 H new ATOM 0 HG13 ILE A 108 2.736 -0.787 -2.547 1.00 0.00 H new ATOM 0 HG21 ILE A 108 3.143 -3.380 0.059 1.00 0.00 H new ATOM 0 HG22 ILE A 108 3.793 -4.648 -1.008 1.00 0.00 H new ATOM 0 HG23 ILE A 108 4.821 -3.276 -0.527 1.00 0.00 H new ATOM 0 HD11 ILE A 108 2.586 0.203 -0.306 1.00 0.00 H new ATOM 0 HD12 ILE A 108 1.551 -1.240 -0.416 1.00 0.00 H new ATOM 0 HD13 ILE A 108 3.117 -1.331 0.425 1.00 0.00 H new ATOM 1768 N GLY A 109 4.936 -5.449 -3.067 1.00 0.00 N ATOM 1769 CA GLY A 109 4.725 -6.898 -3.098 1.00 0.00 C ATOM 1770 C GLY A 109 5.017 -7.533 -1.736 1.00 0.00 C ATOM 1771 O GLY A 109 5.981 -7.168 -1.062 1.00 0.00 O ATOM 0 H GLY A 109 5.772 -5.183 -2.546 1.00 0.00 H new ATOM 0 HA2 GLY A 109 3.696 -7.111 -3.388 1.00 0.00 H new ATOM 0 HA3 GLY A 109 5.369 -7.345 -3.855 1.00 0.00 H new ATOM 1775 N PHE A 110 4.183 -8.484 -1.316 1.00 0.00 N ATOM 1776 CA PHE A 110 4.368 -9.214 -0.054 1.00 0.00 C ATOM 1777 C PHE A 110 5.056 -10.569 -0.257 1.00 0.00 C ATOM 1778 O PHE A 110 4.913 -11.215 -1.299 1.00 0.00 O ATOM 1779 CB PHE A 110 3.034 -9.382 0.674 1.00 0.00 C ATOM 1780 CG PHE A 110 2.453 -8.106 1.267 1.00 0.00 C ATOM 1781 CD1 PHE A 110 2.412 -7.962 2.666 1.00 0.00 C ATOM 1782 CD2 PHE A 110 1.943 -7.074 0.450 1.00 0.00 C ATOM 1783 CE1 PHE A 110 1.839 -6.820 3.248 1.00 0.00 C ATOM 1784 CE2 PHE A 110 1.389 -5.920 1.031 1.00 0.00 C ATOM 1785 CZ PHE A 110 1.338 -5.794 2.429 1.00 0.00 C ATOM 0 H PHE A 110 3.357 -8.773 -1.840 1.00 0.00 H new ATOM 0 HA PHE A 110 5.032 -8.614 0.568 1.00 0.00 H new ATOM 0 HB2 PHE A 110 2.309 -9.803 -0.023 1.00 0.00 H new ATOM 0 HB3 PHE A 110 3.165 -10.109 1.475 1.00 0.00 H new ATOM 0 HD1 PHE A 110 2.824 -8.736 3.297 1.00 0.00 H new ATOM 0 HD2 PHE A 110 1.979 -7.171 -0.625 1.00 0.00 H new ATOM 0 HE1 PHE A 110 1.783 -6.730 4.323 1.00 0.00 H new ATOM 0 HE2 PHE A 110 1.003 -5.131 0.403 1.00 0.00 H new ATOM 0 HZ PHE A 110 0.913 -4.907 2.875 1.00 0.00 H new ATOM 1795 N THR A 111 5.773 -11.022 0.775 1.00 0.00 N ATOM 1796 CA THR A 111 6.474 -12.317 0.783 1.00 0.00 C ATOM 1797 C THR A 111 5.504 -13.504 0.854 1.00 0.00 C ATOM 1798 O THR A 111 5.791 -14.586 0.338 1.00 0.00 O ATOM 1799 CB THR A 111 7.506 -12.338 1.918 1.00 0.00 C ATOM 1800 OG1 THR A 111 8.447 -13.369 1.708 1.00 0.00 O ATOM 1801 CG2 THR A 111 6.903 -12.518 3.313 1.00 0.00 C ATOM 0 H THR A 111 5.887 -10.496 1.641 1.00 0.00 H new ATOM 0 HA THR A 111 7.002 -12.429 -0.164 1.00 0.00 H new ATOM 0 HB THR A 111 7.977 -11.355 1.891 1.00 0.00 H new ATOM 0 HG1 THR A 111 9.100 -13.370 2.439 1.00 0.00 H new ATOM 0 HG21 THR A 111 7.700 -12.522 4.056 1.00 0.00 H new ATOM 0 HG22 THR A 111 6.217 -11.697 3.521 1.00 0.00 H new ATOM 0 HG23 THR A 111 6.362 -13.463 3.356 1.00 0.00 H new ATOM 1809 N ASP A 112 4.317 -13.276 1.427 1.00 0.00 N ATOM 1810 CA ASP A 112 3.187 -14.206 1.434 1.00 0.00 C ATOM 1811 C ASP A 112 1.979 -13.626 0.678 1.00 0.00 C ATOM 1812 O ASP A 112 1.584 -12.477 0.900 1.00 0.00 O ATOM 1813 CB ASP A 112 2.818 -14.580 2.879 1.00 0.00 C ATOM 1814 CG ASP A 112 2.049 -15.909 2.938 1.00 0.00 C ATOM 1815 OD1 ASP A 112 0.902 -15.955 2.438 1.00 0.00 O ATOM 1816 OD2 ASP A 112 2.595 -16.909 3.461 1.00 0.00 O ATOM 0 H ASP A 112 4.111 -12.405 1.917 1.00 0.00 H new ATOM 0 HA ASP A 112 3.486 -15.114 0.910 1.00 0.00 H new ATOM 0 HB2 ASP A 112 3.725 -14.656 3.479 1.00 0.00 H new ATOM 0 HB3 ASP A 112 2.211 -13.788 3.317 1.00 0.00 H new ATOM 1821 N ARG A 113 1.354 -14.434 -0.186 1.00 0.00 N ATOM 1822 CA ARG A 113 0.137 -14.071 -0.936 1.00 0.00 C ATOM 1823 C ARG A 113 -1.034 -13.746 0.009 1.00 0.00 C ATOM 1824 O ARG A 113 -1.809 -12.826 -0.256 1.00 0.00 O ATOM 1825 CB ARG A 113 -0.195 -15.236 -1.897 1.00 0.00 C ATOM 1826 CG ARG A 113 -0.842 -14.840 -3.235 1.00 0.00 C ATOM 1827 CD ARG A 113 -2.095 -13.977 -3.085 1.00 0.00 C ATOM 1828 NE ARG A 113 -2.828 -13.840 -4.356 1.00 0.00 N ATOM 1829 CZ ARG A 113 -3.901 -13.096 -4.529 1.00 0.00 C ATOM 1830 NH1 ARG A 113 -4.540 -13.085 -5.660 1.00 0.00 N ATOM 1831 NH2 ARG A 113 -4.355 -12.329 -3.584 1.00 0.00 N ATOM 0 H ARG A 113 1.683 -15.378 -0.390 1.00 0.00 H new ATOM 0 HA ARG A 113 0.310 -13.163 -1.513 1.00 0.00 H new ATOM 0 HB2 ARG A 113 0.725 -15.781 -2.108 1.00 0.00 H new ATOM 0 HB3 ARG A 113 -0.864 -15.926 -1.383 1.00 0.00 H new ATOM 0 HG2 ARG A 113 -0.110 -14.300 -3.836 1.00 0.00 H new ATOM 0 HG3 ARG A 113 -1.100 -15.745 -3.785 1.00 0.00 H new ATOM 0 HD2 ARG A 113 -2.751 -14.418 -2.334 1.00 0.00 H new ATOM 0 HD3 ARG A 113 -1.813 -12.989 -2.721 1.00 0.00 H new ATOM 0 HE ARG A 113 -2.479 -14.360 -5.161 1.00 0.00 H new ATOM 0 HH11 ARG A 113 -4.213 -13.660 -6.436 1.00 0.00 H new ATOM 0 HH12 ARG A 113 -5.369 -12.501 -5.772 1.00 0.00 H new ATOM 0 HH21 ARG A 113 -3.878 -12.293 -2.683 1.00 0.00 H new ATOM 0 HH22 ARG A 113 -5.188 -11.762 -3.743 1.00 0.00 H new ATOM 1845 N GLY A 114 -1.124 -14.439 1.146 1.00 0.00 N ATOM 1846 CA GLY A 114 -2.111 -14.187 2.195 1.00 0.00 C ATOM 1847 C GLY A 114 -1.888 -12.870 2.946 1.00 0.00 C ATOM 1848 O GLY A 114 -2.860 -12.223 3.327 1.00 0.00 O ATOM 0 H GLY A 114 -0.495 -15.211 1.367 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -3.106 -14.178 1.751 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -2.088 -15.011 2.909 1.00 0.00 H new ATOM 1852 N ASP A 115 -0.638 -12.418 3.098 1.00 0.00 N ATOM 1853 CA ASP A 115 -0.335 -11.138 3.758 1.00 0.00 C ATOM 1854 C ASP A 115 -0.761 -9.938 2.896 1.00 0.00 C ATOM 1855 O ASP A 115 -1.318 -8.971 3.419 1.00 0.00 O ATOM 1856 CB ASP A 115 1.143 -11.052 4.168 1.00 0.00 C ATOM 1857 CG ASP A 115 1.536 -11.996 5.321 1.00 0.00 C ATOM 1858 OD1 ASP A 115 2.753 -12.209 5.525 1.00 0.00 O ATOM 1859 OD2 ASP A 115 0.644 -12.475 6.063 1.00 0.00 O ATOM 0 H ASP A 115 0.187 -12.922 2.771 1.00 0.00 H new ATOM 0 HA ASP A 115 -0.926 -11.097 4.673 1.00 0.00 H new ATOM 0 HB2 ASP A 115 1.763 -11.279 3.300 1.00 0.00 H new ATOM 0 HB3 ASP A 115 1.368 -10.026 4.461 1.00 0.00 H new ATOM 1864 N ALA A 116 -0.605 -10.036 1.572 1.00 0.00 N ATOM 1865 CA ALA A 116 -1.156 -9.059 0.633 1.00 0.00 C ATOM 1866 C ALA A 116 -2.691 -9.127 0.538 1.00 0.00 C ATOM 1867 O ALA A 116 -3.371 -8.102 0.543 1.00 0.00 O ATOM 1868 CB ALA A 116 -0.539 -9.313 -0.738 1.00 0.00 C ATOM 0 H ALA A 116 -0.093 -10.795 1.123 1.00 0.00 H new ATOM 0 HA ALA A 116 -0.911 -8.061 0.995 1.00 0.00 H new ATOM 0 HB1 ALA A 116 -0.937 -8.594 -1.455 1.00 0.00 H new ATOM 0 HB2 ALA A 116 0.544 -9.202 -0.676 1.00 0.00 H new ATOM 0 HB3 ALA A 116 -0.782 -10.324 -1.065 1.00 0.00 H new ATOM 1874 N PHE A 117 -3.273 -10.326 0.512 1.00 0.00 N ATOM 1875 CA PHE A 117 -4.729 -10.476 0.535 1.00 0.00 C ATOM 1876 C PHE A 117 -5.350 -9.896 1.827 1.00 0.00 C ATOM 1877 O PHE A 117 -6.433 -9.310 1.772 1.00 0.00 O ATOM 1878 CB PHE A 117 -5.057 -11.951 0.313 1.00 0.00 C ATOM 1879 CG PHE A 117 -6.535 -12.257 0.316 1.00 0.00 C ATOM 1880 CD1 PHE A 117 -7.308 -12.152 -0.857 1.00 0.00 C ATOM 1881 CD2 PHE A 117 -7.139 -12.660 1.517 1.00 0.00 C ATOM 1882 CE1 PHE A 117 -8.676 -12.476 -0.822 1.00 0.00 C ATOM 1883 CE2 PHE A 117 -8.489 -13.033 1.539 1.00 0.00 C ATOM 1884 CZ PHE A 117 -9.265 -12.934 0.371 1.00 0.00 C ATOM 0 H PHE A 117 -2.760 -11.207 0.475 1.00 0.00 H new ATOM 0 HA PHE A 117 -5.180 -9.894 -0.269 1.00 0.00 H new ATOM 0 HB2 PHE A 117 -4.632 -12.268 -0.640 1.00 0.00 H new ATOM 0 HB3 PHE A 117 -4.572 -12.542 1.090 1.00 0.00 H new ATOM 0 HD1 PHE A 117 -6.852 -11.824 -1.779 1.00 0.00 H new ATOM 0 HD2 PHE A 117 -6.560 -12.683 2.429 1.00 0.00 H new ATOM 0 HE1 PHE A 117 -9.277 -12.373 -1.714 1.00 0.00 H new ATOM 0 HE2 PHE A 117 -8.934 -13.397 2.453 1.00 0.00 H new ATOM 0 HZ PHE A 117 -10.309 -13.208 0.389 1.00 0.00 H new ATOM 1894 N ASP A 118 -4.639 -9.944 2.960 1.00 0.00 N ATOM 1895 CA ASP A 118 -5.036 -9.289 4.210 1.00 0.00 C ATOM 1896 C ASP A 118 -4.859 -7.765 4.141 1.00 0.00 C ATOM 1897 O ASP A 118 -5.700 -7.045 4.679 1.00 0.00 O ATOM 1898 CB ASP A 118 -4.236 -9.855 5.396 1.00 0.00 C ATOM 1899 CG ASP A 118 -4.696 -11.242 5.866 1.00 0.00 C ATOM 1900 OD1 ASP A 118 -5.898 -11.574 5.763 1.00 0.00 O ATOM 1901 OD2 ASP A 118 -3.856 -12.010 6.396 1.00 0.00 O ATOM 0 H ASP A 118 -3.756 -10.449 3.034 1.00 0.00 H new ATOM 0 HA ASP A 118 -6.096 -9.497 4.358 1.00 0.00 H new ATOM 0 HB2 ASP A 118 -3.184 -9.910 5.116 1.00 0.00 H new ATOM 0 HB3 ASP A 118 -4.307 -9.159 6.232 1.00 0.00 H new ATOM 1906 N PHE A 119 -3.839 -7.251 3.439 1.00 0.00 N ATOM 1907 CA PHE A 119 -3.702 -5.817 3.158 1.00 0.00 C ATOM 1908 C PHE A 119 -4.933 -5.284 2.400 1.00 0.00 C ATOM 1909 O PHE A 119 -5.465 -4.230 2.747 1.00 0.00 O ATOM 1910 CB PHE A 119 -2.374 -5.557 2.418 1.00 0.00 C ATOM 1911 CG PHE A 119 -2.188 -4.170 1.825 1.00 0.00 C ATOM 1912 CD1 PHE A 119 -2.788 -3.826 0.600 1.00 0.00 C ATOM 1913 CD2 PHE A 119 -1.359 -3.231 2.456 1.00 0.00 C ATOM 1914 CE1 PHE A 119 -2.577 -2.560 0.027 1.00 0.00 C ATOM 1915 CE2 PHE A 119 -1.174 -1.955 1.908 1.00 0.00 C ATOM 1916 CZ PHE A 119 -1.782 -1.615 0.691 1.00 0.00 C ATOM 0 H PHE A 119 -3.086 -7.819 3.050 1.00 0.00 H new ATOM 0 HA PHE A 119 -3.664 -5.262 4.095 1.00 0.00 H new ATOM 0 HB2 PHE A 119 -1.555 -5.744 3.112 1.00 0.00 H new ATOM 0 HB3 PHE A 119 -2.283 -6.287 1.614 1.00 0.00 H new ATOM 0 HD1 PHE A 119 -3.418 -4.543 0.094 1.00 0.00 H new ATOM 0 HD2 PHE A 119 -0.857 -3.495 3.375 1.00 0.00 H new ATOM 0 HE1 PHE A 119 -3.027 -2.315 -0.924 1.00 0.00 H new ATOM 0 HE2 PHE A 119 -0.561 -1.231 2.424 1.00 0.00 H new ATOM 0 HZ PHE A 119 -1.639 -0.632 0.268 1.00 0.00 H new ATOM 1926 N ASN A 120 -5.452 -6.058 1.439 1.00 0.00 N ATOM 1927 CA ASN A 120 -6.721 -5.786 0.758 1.00 0.00 C ATOM 1928 C ASN A 120 -7.932 -5.869 1.706 1.00 0.00 C ATOM 1929 O ASN A 120 -8.693 -4.905 1.805 1.00 0.00 O ATOM 1930 CB ASN A 120 -6.826 -6.722 -0.461 1.00 0.00 C ATOM 1931 CG ASN A 120 -8.244 -7.047 -0.891 1.00 0.00 C ATOM 1932 OD1 ASN A 120 -8.945 -6.258 -1.506 1.00 0.00 O ATOM 1933 ND2 ASN A 120 -8.720 -8.227 -0.565 1.00 0.00 N ATOM 0 H ASN A 120 -4.992 -6.906 1.108 1.00 0.00 H new ATOM 0 HA ASN A 120 -6.735 -4.754 0.406 1.00 0.00 H new ATOM 0 HB2 ASN A 120 -6.303 -6.264 -1.300 1.00 0.00 H new ATOM 0 HB3 ASN A 120 -6.308 -7.653 -0.232 1.00 0.00 H new ATOM 0 HD21 ASN A 120 -9.673 -8.482 -0.825 1.00 0.00 H new ATOM 0 HD22 ASN A 120 -8.137 -8.888 -0.051 1.00 0.00 H new ATOM 1940 N VAL A 121 -8.127 -6.978 2.429 1.00 0.00 N ATOM 1941 CA VAL A 121 -9.332 -7.180 3.263 1.00 0.00 C ATOM 1942 C VAL A 121 -9.411 -6.176 4.421 1.00 0.00 C ATOM 1943 O VAL A 121 -10.506 -5.721 4.759 1.00 0.00 O ATOM 1944 CB VAL A 121 -9.425 -8.639 3.764 1.00 0.00 C ATOM 1945 CG1 VAL A 121 -10.526 -8.861 4.810 1.00 0.00 C ATOM 1946 CG2 VAL A 121 -9.732 -9.593 2.603 1.00 0.00 C ATOM 0 H VAL A 121 -7.467 -7.755 2.457 1.00 0.00 H new ATOM 0 HA VAL A 121 -10.198 -6.991 2.629 1.00 0.00 H new ATOM 0 HB VAL A 121 -8.454 -8.840 4.217 1.00 0.00 H new ATOM 0 HG11 VAL A 121 -10.532 -9.907 5.115 1.00 0.00 H new ATOM 0 HG12 VAL A 121 -10.335 -8.231 5.679 1.00 0.00 H new ATOM 0 HG13 VAL A 121 -11.494 -8.603 4.380 1.00 0.00 H new ATOM 0 HG21 VAL A 121 -9.793 -10.615 2.978 1.00 0.00 H new ATOM 0 HG22 VAL A 121 -10.682 -9.317 2.147 1.00 0.00 H new ATOM 0 HG23 VAL A 121 -8.939 -9.527 1.858 1.00 0.00 H new ATOM 1956 N SER A 122 -8.267 -5.743 4.958 1.00 0.00 N ATOM 1957 CA SER A 122 -8.183 -4.678 5.972 1.00 0.00 C ATOM 1958 C SER A 122 -8.745 -3.335 5.487 1.00 0.00 C ATOM 1959 O SER A 122 -9.153 -2.513 6.308 1.00 0.00 O ATOM 1960 CB SER A 122 -6.729 -4.458 6.401 1.00 0.00 C ATOM 1961 OG SER A 122 -6.185 -5.644 6.946 1.00 0.00 O ATOM 0 H SER A 122 -7.357 -6.125 4.699 1.00 0.00 H new ATOM 0 HA SER A 122 -8.791 -5.020 6.810 1.00 0.00 H new ATOM 0 HB2 SER A 122 -6.136 -4.140 5.544 1.00 0.00 H new ATOM 0 HB3 SER A 122 -6.679 -3.657 7.138 1.00 0.00 H new ATOM 0 HG SER A 122 -6.062 -6.305 6.233 1.00 0.00 H new ATOM 1967 N LEU A 123 -8.794 -3.116 4.167 1.00 0.00 N ATOM 1968 CA LEU A 123 -9.386 -1.936 3.534 1.00 0.00 C ATOM 1969 C LEU A 123 -10.806 -2.213 3.025 1.00 0.00 C ATOM 1970 O LEU A 123 -11.668 -1.348 3.169 1.00 0.00 O ATOM 1971 CB LEU A 123 -8.463 -1.428 2.418 1.00 0.00 C ATOM 1972 CG LEU A 123 -7.038 -1.104 2.894 1.00 0.00 C ATOM 1973 CD1 LEU A 123 -6.163 -0.742 1.704 1.00 0.00 C ATOM 1974 CD2 LEU A 123 -6.986 0.036 3.916 1.00 0.00 C ATOM 0 H LEU A 123 -8.410 -3.777 3.491 1.00 0.00 H new ATOM 0 HA LEU A 123 -9.482 -1.151 4.284 1.00 0.00 H new ATOM 0 HB2 LEU A 123 -8.411 -2.180 1.631 1.00 0.00 H new ATOM 0 HB3 LEU A 123 -8.901 -0.533 1.976 1.00 0.00 H new ATOM 0 HG LEU A 123 -6.668 -2.002 3.389 1.00 0.00 H new ATOM 0 HD11 LEU A 123 -5.155 -0.514 2.050 1.00 0.00 H new ATOM 0 HD12 LEU A 123 -6.127 -1.582 1.010 1.00 0.00 H new ATOM 0 HD13 LEU A 123 -6.579 0.129 1.198 1.00 0.00 H new ATOM 0 HD21 LEU A 123 -5.952 0.214 4.210 1.00 0.00 H new ATOM 0 HD22 LEU A 123 -7.398 0.942 3.472 1.00 0.00 H new ATOM 0 HD23 LEU A 123 -7.572 -0.236 4.794 1.00 0.00 H new ATOM 1986 N GLN A 124 -11.107 -3.419 2.523 1.00 0.00 N ATOM 1987 CA GLN A 124 -12.487 -3.800 2.187 1.00 0.00 C ATOM 1988 C GLN A 124 -13.410 -3.629 3.404 1.00 0.00 C ATOM 1989 O GLN A 124 -14.416 -2.930 3.322 1.00 0.00 O ATOM 1990 CB GLN A 124 -12.597 -5.245 1.671 1.00 0.00 C ATOM 1991 CG GLN A 124 -11.857 -5.507 0.349 1.00 0.00 C ATOM 1992 CD GLN A 124 -12.297 -6.796 -0.355 1.00 0.00 C ATOM 1993 OE1 GLN A 124 -13.238 -7.484 0.020 1.00 0.00 O ATOM 1994 NE2 GLN A 124 -11.637 -7.173 -1.429 1.00 0.00 N ATOM 0 H GLN A 124 -10.415 -4.146 2.341 1.00 0.00 H new ATOM 0 HA GLN A 124 -12.799 -3.133 1.384 1.00 0.00 H new ATOM 0 HB2 GLN A 124 -12.206 -5.920 2.432 1.00 0.00 H new ATOM 0 HB3 GLN A 124 -13.651 -5.491 1.538 1.00 0.00 H new ATOM 0 HG2 GLN A 124 -12.019 -4.663 -0.322 1.00 0.00 H new ATOM 0 HG3 GLN A 124 -10.786 -5.557 0.545 1.00 0.00 H new ATOM 0 HE21 GLN A 124 -10.849 -6.619 -1.764 1.00 0.00 H new ATOM 0 HE22 GLN A 124 -11.914 -8.019 -1.927 1.00 0.00 H new ATOM 2003 N ASP A 125 -13.033 -4.176 4.562 1.00 0.00 N ATOM 2004 CA ASP A 125 -13.807 -4.068 5.807 1.00 0.00 C ATOM 2005 C ASP A 125 -13.667 -2.698 6.504 1.00 0.00 C ATOM 2006 O ASP A 125 -14.358 -2.429 7.486 1.00 0.00 O ATOM 2007 CB ASP A 125 -13.385 -5.221 6.729 1.00 0.00 C ATOM 2008 CG ASP A 125 -14.274 -5.382 7.973 1.00 0.00 C ATOM 2009 OD1 ASP A 125 -15.476 -5.699 7.813 1.00 0.00 O ATOM 2010 OD2 ASP A 125 -13.761 -5.262 9.113 1.00 0.00 O ATOM 0 H ASP A 125 -12.172 -4.713 4.666 1.00 0.00 H new ATOM 0 HA ASP A 125 -14.867 -4.143 5.563 1.00 0.00 H new ATOM 0 HB2 ASP A 125 -13.400 -6.151 6.161 1.00 0.00 H new ATOM 0 HB3 ASP A 125 -12.356 -5.059 7.049 1.00 0.00 H new ATOM 2015 N HIS A 126 -12.819 -1.805 5.983 1.00 0.00 N ATOM 2016 CA HIS A 126 -12.779 -0.394 6.393 1.00 0.00 C ATOM 2017 C HIS A 126 -13.763 0.460 5.585 1.00 0.00 C ATOM 2018 O HIS A 126 -14.424 1.328 6.151 1.00 0.00 O ATOM 2019 CB HIS A 126 -11.353 0.157 6.303 1.00 0.00 C ATOM 2020 CG HIS A 126 -11.262 1.611 6.696 1.00 0.00 C ATOM 2021 ND1 HIS A 126 -10.938 2.655 5.829 1.00 0.00 N ATOM 2022 CD2 HIS A 126 -11.534 2.128 7.930 1.00 0.00 C ATOM 2023 CE1 HIS A 126 -11.024 3.778 6.559 1.00 0.00 C ATOM 2024 NE2 HIS A 126 -11.380 3.492 7.821 1.00 0.00 N ATOM 0 H HIS A 126 -12.137 -2.040 5.262 1.00 0.00 H new ATOM 0 HA HIS A 126 -13.095 -0.342 7.435 1.00 0.00 H new ATOM 0 HB2 HIS A 126 -10.700 -0.431 6.948 1.00 0.00 H new ATOM 0 HB3 HIS A 126 -10.986 0.037 5.284 1.00 0.00 H new ATOM 0 HD2 HIS A 126 -11.814 1.577 8.815 1.00 0.00 H new ATOM 0 HE1 HIS A 126 -10.833 4.773 6.183 1.00 0.00 H new ATOM 0 HE2 HIS A 126 -11.514 4.170 8.572 1.00 0.00 H new ATOM 2032 N PHE A 127 -13.922 0.182 4.286 1.00 0.00 N ATOM 2033 CA PHE A 127 -14.851 0.909 3.418 1.00 0.00 C ATOM 2034 C PHE A 127 -16.262 0.287 3.330 1.00 0.00 C ATOM 2035 O PHE A 127 -17.196 0.996 2.953 1.00 0.00 O ATOM 2036 CB PHE A 127 -14.188 1.184 2.058 1.00 0.00 C ATOM 2037 CG PHE A 127 -13.086 2.233 2.153 1.00 0.00 C ATOM 2038 CD1 PHE A 127 -11.730 1.853 2.162 1.00 0.00 C ATOM 2039 CD2 PHE A 127 -13.420 3.595 2.303 1.00 0.00 C ATOM 2040 CE1 PHE A 127 -10.717 2.816 2.322 1.00 0.00 C ATOM 2041 CE2 PHE A 127 -12.408 4.558 2.475 1.00 0.00 C ATOM 2042 CZ PHE A 127 -11.060 4.168 2.485 1.00 0.00 C ATOM 0 H PHE A 127 -13.407 -0.557 3.807 1.00 0.00 H new ATOM 0 HA PHE A 127 -15.054 1.873 3.885 1.00 0.00 H new ATOM 0 HB2 PHE A 127 -13.771 0.257 1.666 1.00 0.00 H new ATOM 0 HB3 PHE A 127 -14.945 1.519 1.348 1.00 0.00 H new ATOM 0 HD1 PHE A 127 -11.465 0.813 2.045 1.00 0.00 H new ATOM 0 HD2 PHE A 127 -14.456 3.900 2.286 1.00 0.00 H new ATOM 0 HE1 PHE A 127 -9.679 2.517 2.319 1.00 0.00 H new ATOM 0 HE2 PHE A 127 -12.669 5.599 2.599 1.00 0.00 H new ATOM 0 HZ PHE A 127 -10.285 4.909 2.618 1.00 0.00 H new ATOM 2052 N LYS A 128 -16.471 -0.980 3.739 1.00 0.00 N ATOM 2053 CA LYS A 128 -17.771 -1.682 3.602 1.00 0.00 C ATOM 2054 C LYS A 128 -18.941 -1.079 4.394 1.00 0.00 C ATOM 2055 O LYS A 128 -20.098 -1.296 4.036 1.00 0.00 O ATOM 2056 CB LYS A 128 -17.634 -3.201 3.813 1.00 0.00 C ATOM 2057 CG LYS A 128 -17.392 -3.684 5.249 1.00 0.00 C ATOM 2058 CD LYS A 128 -18.677 -3.915 6.050 1.00 0.00 C ATOM 2059 CE LYS A 128 -18.321 -4.489 7.419 1.00 0.00 C ATOM 2060 NZ LYS A 128 -19.528 -4.773 8.239 1.00 0.00 N ATOM 0 H LYS A 128 -15.745 -1.549 4.174 1.00 0.00 H new ATOM 0 HA LYS A 128 -18.055 -1.513 2.563 1.00 0.00 H new ATOM 0 HB2 LYS A 128 -18.542 -3.678 3.443 1.00 0.00 H new ATOM 0 HB3 LYS A 128 -16.812 -3.557 3.192 1.00 0.00 H new ATOM 0 HG2 LYS A 128 -16.822 -4.613 5.219 1.00 0.00 H new ATOM 0 HG3 LYS A 128 -16.777 -2.950 5.770 1.00 0.00 H new ATOM 0 HD2 LYS A 128 -19.220 -2.977 6.166 1.00 0.00 H new ATOM 0 HD3 LYS A 128 -19.334 -4.600 5.515 1.00 0.00 H new ATOM 0 HE2 LYS A 128 -17.748 -5.407 7.289 1.00 0.00 H new ATOM 0 HE3 LYS A 128 -17.680 -3.786 7.951 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 -19.239 -5.161 9.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 -20.062 -3.893 8.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 -20.128 -5.464 7.745 1.00 0.00 H new ATOM 2074 N TRP A 129 -18.649 -0.339 5.466 1.00 0.00 N ATOM 2075 CA TRP A 129 -19.638 0.301 6.359 1.00 0.00 C ATOM 2076 C TRP A 129 -19.780 1.824 6.140 1.00 0.00 C ATOM 2077 O TRP A 129 -20.532 2.499 6.846 1.00 0.00 O ATOM 2078 CB TRP A 129 -19.316 -0.093 7.806 1.00 0.00 C ATOM 2079 CG TRP A 129 -17.914 0.192 8.245 1.00 0.00 C ATOM 2080 CD1 TRP A 129 -16.871 -0.665 8.168 1.00 0.00 C ATOM 2081 CD2 TRP A 129 -17.367 1.436 8.776 1.00 0.00 C ATOM 2082 NE1 TRP A 129 -15.730 -0.045 8.628 1.00 0.00 N ATOM 2083 CE2 TRP A 129 -15.968 1.263 8.995 1.00 0.00 C ATOM 2084 CE3 TRP A 129 -17.913 2.705 9.058 1.00 0.00 C ATOM 2085 CZ2 TRP A 129 -15.148 2.304 9.462 1.00 0.00 C ATOM 2086 CZ3 TRP A 129 -17.100 3.761 9.516 1.00 0.00 C ATOM 2087 CH2 TRP A 129 -15.720 3.563 9.715 1.00 0.00 C ATOM 0 H TRP A 129 -17.687 -0.158 5.752 1.00 0.00 H new ATOM 0 HA TRP A 129 -20.631 -0.072 6.110 1.00 0.00 H new ATOM 0 HB2 TRP A 129 -20.002 0.432 8.470 1.00 0.00 H new ATOM 0 HB3 TRP A 129 -19.509 -1.159 7.927 1.00 0.00 H new ATOM 0 HD1 TRP A 129 -16.924 -1.680 7.802 1.00 0.00 H new ATOM 0 HE1 TRP A 129 -14.819 -0.499 8.690 1.00 0.00 H new ATOM 0 HE3 TRP A 129 -18.971 2.870 8.921 1.00 0.00 H new ATOM 0 HZ2 TRP A 129 -14.093 2.139 9.624 1.00 0.00 H new ATOM 0 HZ3 TRP A 129 -17.538 4.728 9.716 1.00 0.00 H new ATOM 0 HH2 TRP A 129 -15.102 4.378 10.062 1.00 0.00 H new ATOM 2098 N VAL A 130 -19.082 2.356 5.135 1.00 0.00 N ATOM 2099 CA VAL A 130 -19.078 3.758 4.666 1.00 0.00 C ATOM 2100 C VAL A 130 -19.316 3.766 3.141 1.00 0.00 C ATOM 2101 O VAL A 130 -19.880 2.818 2.591 1.00 0.00 O ATOM 2102 CB VAL A 130 -17.801 4.514 5.146 1.00 0.00 C ATOM 2103 CG1 VAL A 130 -18.166 5.428 6.321 1.00 0.00 C ATOM 2104 CG2 VAL A 130 -16.644 3.626 5.598 1.00 0.00 C ATOM 0 H VAL A 130 -18.452 1.778 4.578 1.00 0.00 H new ATOM 0 HA VAL A 130 -19.895 4.324 5.114 1.00 0.00 H new ATOM 0 HB VAL A 130 -17.453 5.060 4.269 1.00 0.00 H new ATOM 0 HG11 VAL A 130 -17.276 5.958 6.660 1.00 0.00 H new ATOM 0 HG12 VAL A 130 -18.918 6.149 6.001 1.00 0.00 H new ATOM 0 HG13 VAL A 130 -18.564 4.828 7.139 1.00 0.00 H new ATOM 0 HG21 VAL A 130 -15.807 4.250 5.911 1.00 0.00 H new ATOM 0 HG22 VAL A 130 -16.967 3.006 6.434 1.00 0.00 H new ATOM 0 HG23 VAL A 130 -16.331 2.987 4.772 1.00 0.00 H new