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= 0.777 K(o=1.7,f=0.036) USER MOD Set 1.3: A 124 GLN : amide:sc= 0.887 K(o=1.7,f=0.036) USER MOD Set 2.1: A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 57 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 18 SER OG : rot -39:sc= 1.21 USER MOD Set 3.2: A 20 TYR OH : rot -73:sc= 0.326 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 12 CYS SG : rot 180:sc= -0.054 USER MOD Single : A 14 LYS NZ :NH3+ -166:sc= 2.43 (180deg=2.38) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.439 X(o=-0.44,f=-0.75) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 THR OG1 : rot 139:sc= 1.24 USER MOD Single : A 51 SER OG : rot 36:sc= 0.136 USER MOD Single : A 54 LYS NZ :NH3+ -167:sc= 1.25 (180deg=1.15) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 167:sc= 0.638 (180deg=0.45) USER MOD Single : A 63 LYS NZ :NH3+ 171:sc= 1.33 (180deg=1.19) USER MOD Single : A 65 SER OG : rot -68:sc= 1.2 USER MOD Single : A 71 GLN : amide:sc= -0.163 X(o=-0.16,f=0) USER MOD Single : A 76 GLN : amide:sc= 0.351 K(o=0.35,f=-0.23) USER MOD Single : A 84 THR OG1 : rot -68:sc= 0.121 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 140:sc= 0 USER MOD Single : A 89 SER OG : rot 46:sc= 0.204 USER MOD Single : A 91 TYR OH : rot 15:sc= 0.479 USER MOD Single : A 97 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 103 SER OG : rot 27:sc= 0.844 USER MOD Single : A 111 THR OG1 : rot 180:sc= 0 USER MOD Single : A 122 SER OG : rot -85:sc= 1.21 USER MOD Single : A 126 HIS : no HD1:sc= 0.786 K(o=0.83,f=-3.9!) USER MOD Single : A 128 LYS NZ :NH3+ -156:sc= 1.3 (180deg=1.25) USER MOD ----------------------------------------------------------------- ATOM 171 N GLU A 8 -5.425 8.188 14.936 1.00 0.00 N ATOM 172 CA GLU A 8 -5.566 7.111 13.949 1.00 0.00 C ATOM 173 C GLU A 8 -5.735 5.770 14.690 1.00 0.00 C ATOM 174 O GLU A 8 -5.002 5.457 15.632 1.00 0.00 O ATOM 175 CB GLU A 8 -4.362 7.082 12.980 1.00 0.00 C ATOM 176 CG GLU A 8 -3.020 6.731 13.645 1.00 0.00 C ATOM 177 CD GLU A 8 -1.811 7.014 12.747 1.00 0.00 C ATOM 178 OE1 GLU A 8 -1.855 6.682 11.545 1.00 0.00 O ATOM 179 OE2 GLU A 8 -0.754 7.460 13.252 1.00 0.00 O ATOM 0 HA GLU A 8 -6.452 7.290 13.340 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -4.563 6.357 12.191 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -4.273 8.057 12.502 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -2.920 7.300 14.569 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -3.022 5.676 13.919 1.00 0.00 H new ATOM 186 N SER A 9 -6.722 4.978 14.278 1.00 0.00 N ATOM 187 CA SER A 9 -7.056 3.668 14.850 1.00 0.00 C ATOM 188 C SER A 9 -6.417 2.528 14.054 1.00 0.00 C ATOM 189 O SER A 9 -6.587 2.468 12.839 1.00 0.00 O ATOM 190 CB SER A 9 -8.576 3.487 14.881 1.00 0.00 C ATOM 191 OG SER A 9 -9.154 4.346 15.855 1.00 0.00 O ATOM 0 H SER A 9 -7.337 5.238 13.507 1.00 0.00 H new ATOM 0 HA SER A 9 -6.659 3.635 15.865 1.00 0.00 H new ATOM 0 HB2 SER A 9 -8.995 3.705 13.899 1.00 0.00 H new ATOM 0 HB3 SER A 9 -8.821 2.450 15.109 1.00 0.00 H new ATOM 0 HG SER A 9 -10.126 4.223 15.864 1.00 0.00 H new ATOM 197 N VAL A 10 -5.686 1.610 14.694 1.00 0.00 N ATOM 198 CA VAL A 10 -4.980 0.524 13.982 1.00 0.00 C ATOM 199 C VAL A 10 -5.947 -0.473 13.323 1.00 0.00 C ATOM 200 O VAL A 10 -6.941 -0.884 13.924 1.00 0.00 O ATOM 201 CB VAL A 10 -3.916 -0.150 14.874 1.00 0.00 C ATOM 202 CG1 VAL A 10 -4.502 -0.942 16.049 1.00 0.00 C ATOM 203 CG2 VAL A 10 -2.996 -1.069 14.061 1.00 0.00 C ATOM 0 H VAL A 10 -5.564 1.592 15.706 1.00 0.00 H new ATOM 0 HA VAL A 10 -4.434 0.982 13.157 1.00 0.00 H new ATOM 0 HB VAL A 10 -3.341 0.677 15.290 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -3.692 -1.386 16.629 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -5.080 -0.273 16.686 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -5.151 -1.731 15.668 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -2.260 -1.525 14.723 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -3.590 -1.850 13.585 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -2.483 -0.486 13.296 1.00 0.00 H new ATOM 213 N LEU A 11 -5.642 -0.861 12.078 1.00 0.00 N ATOM 214 CA LEU A 11 -6.413 -1.810 11.265 1.00 0.00 C ATOM 215 C LEU A 11 -5.610 -3.070 10.903 1.00 0.00 C ATOM 216 O LEU A 11 -6.160 -4.172 10.944 1.00 0.00 O ATOM 217 CB LEU A 11 -6.877 -1.134 9.963 1.00 0.00 C ATOM 218 CG LEU A 11 -7.841 0.054 10.105 1.00 0.00 C ATOM 219 CD1 LEU A 11 -8.202 0.543 8.702 1.00 0.00 C ATOM 220 CD2 LEU A 11 -9.127 -0.320 10.846 1.00 0.00 C ATOM 0 H LEU A 11 -4.819 -0.508 11.590 1.00 0.00 H new ATOM 0 HA LEU A 11 -7.267 -2.115 11.870 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -5.993 -0.792 9.424 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -7.357 -1.889 9.341 1.00 0.00 H new ATOM 0 HG LEU A 11 -7.343 0.828 10.689 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -8.887 1.388 8.776 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -7.297 0.854 8.181 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -8.680 -0.264 8.147 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -9.773 0.555 10.919 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -9.645 -1.109 10.300 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -8.880 -0.673 11.847 1.00 0.00 H new ATOM 232 N CYS A 12 -4.331 -2.922 10.532 1.00 0.00 N ATOM 233 CA CYS A 12 -3.475 -4.038 10.116 1.00 0.00 C ATOM 234 C CYS A 12 -1.994 -3.814 10.445 1.00 0.00 C ATOM 235 O CYS A 12 -1.498 -2.688 10.459 1.00 0.00 O ATOM 236 CB CYS A 12 -3.672 -4.313 8.616 1.00 0.00 C ATOM 237 SG CYS A 12 -3.167 -6.007 8.194 1.00 0.00 S ATOM 0 H CYS A 12 -3.859 -2.018 10.512 1.00 0.00 H new ATOM 0 HA CYS A 12 -3.780 -4.913 10.690 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -4.718 -4.164 8.350 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -3.090 -3.600 8.032 1.00 0.00 H new ATOM 0 HG CYS A 12 -3.347 -6.209 6.923 1.00 0.00 H new ATOM 243 N VAL A 13 -1.281 -4.917 10.648 1.00 0.00 N ATOM 244 CA VAL A 13 0.177 -4.992 10.764 1.00 0.00 C ATOM 245 C VAL A 13 0.645 -6.297 10.119 1.00 0.00 C ATOM 246 O VAL A 13 0.092 -7.362 10.412 1.00 0.00 O ATOM 247 CB VAL A 13 0.616 -4.839 12.238 1.00 0.00 C ATOM 248 CG1 VAL A 13 0.087 -5.924 13.188 1.00 0.00 C ATOM 249 CG2 VAL A 13 2.141 -4.773 12.382 1.00 0.00 C ATOM 0 H VAL A 13 -1.724 -5.831 10.741 1.00 0.00 H new ATOM 0 HA VAL A 13 0.652 -4.167 10.233 1.00 0.00 H new ATOM 0 HB VAL A 13 0.162 -3.894 12.537 1.00 0.00 H new ATOM 0 HG11 VAL A 13 0.448 -5.731 14.198 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -1.003 -5.911 13.184 1.00 0.00 H new ATOM 0 HG13 VAL A 13 0.440 -6.901 12.857 1.00 0.00 H new ATOM 0 HG21 VAL A 13 2.403 -4.665 13.435 1.00 0.00 H new ATOM 0 HG22 VAL A 13 2.583 -5.689 11.990 1.00 0.00 H new ATOM 0 HG23 VAL A 13 2.522 -3.918 11.824 1.00 0.00 H new ATOM 259 N LYS A 14 1.639 -6.231 9.221 1.00 0.00 N ATOM 260 CA LYS A 14 2.254 -7.424 8.599 1.00 0.00 C ATOM 261 C LYS A 14 3.779 -7.488 8.778 1.00 0.00 C ATOM 262 O LYS A 14 4.443 -6.458 8.634 1.00 0.00 O ATOM 263 CB LYS A 14 1.831 -7.600 7.126 1.00 0.00 C ATOM 264 CG LYS A 14 0.392 -8.112 6.960 1.00 0.00 C ATOM 265 CD LYS A 14 0.228 -9.557 7.460 1.00 0.00 C ATOM 266 CE LYS A 14 -1.177 -10.052 7.133 1.00 0.00 C ATOM 267 NZ LYS A 14 -1.354 -11.487 7.462 1.00 0.00 N ATOM 0 H LYS A 14 2.043 -5.350 8.902 1.00 0.00 H new ATOM 0 HA LYS A 14 1.857 -8.278 9.148 1.00 0.00 H new ATOM 0 HB2 LYS A 14 1.930 -6.645 6.611 1.00 0.00 H new ATOM 0 HB3 LYS A 14 2.515 -8.296 6.640 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -0.289 -7.460 7.508 1.00 0.00 H new ATOM 0 HG3 LYS A 14 0.108 -8.059 5.909 1.00 0.00 H new ATOM 0 HD2 LYS A 14 0.971 -10.202 6.991 1.00 0.00 H new ATOM 0 HD3 LYS A 14 0.400 -9.603 8.535 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -1.907 -9.461 7.686 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -1.378 -9.896 6.073 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -2.224 -11.841 7.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -0.538 -12.027 7.109 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -1.424 -11.601 8.493 1.00 0.00 H new ATOM 281 N PRO A 15 4.328 -8.686 9.079 1.00 0.00 N ATOM 282 CA PRO A 15 5.693 -8.876 9.587 1.00 0.00 C ATOM 283 C PRO A 15 6.797 -8.666 8.541 1.00 0.00 C ATOM 284 O PRO A 15 7.922 -8.318 8.901 1.00 0.00 O ATOM 285 CB PRO A 15 5.715 -10.314 10.124 1.00 0.00 C ATOM 286 CG PRO A 15 4.669 -11.038 9.275 1.00 0.00 C ATOM 287 CD PRO A 15 3.615 -9.960 9.096 1.00 0.00 C ATOM 0 HA PRO A 15 5.912 -8.125 10.346 1.00 0.00 H new ATOM 0 HB2 PRO A 15 6.701 -10.766 10.015 1.00 0.00 H new ATOM 0 HB3 PRO A 15 5.463 -10.349 11.184 1.00 0.00 H new ATOM 0 HG2 PRO A 15 5.077 -11.373 8.322 1.00 0.00 H new ATOM 0 HG3 PRO A 15 4.272 -11.919 9.779 1.00 0.00 H new ATOM 0 HD2 PRO A 15 3.062 -10.108 8.169 1.00 0.00 H new ATOM 0 HD3 PRO A 15 2.889 -9.988 9.908 1.00 0.00 H new ATOM 295 N ASP A 16 6.492 -8.863 7.256 1.00 0.00 N ATOM 296 CA ASP A 16 7.400 -8.586 6.143 1.00 0.00 C ATOM 297 C ASP A 16 6.640 -8.050 4.923 1.00 0.00 C ATOM 298 O ASP A 16 5.636 -8.626 4.493 1.00 0.00 O ATOM 299 CB ASP A 16 8.198 -9.843 5.775 1.00 0.00 C ATOM 300 CG ASP A 16 9.261 -9.517 4.717 1.00 0.00 C ATOM 301 OD1 ASP A 16 10.217 -8.780 5.057 1.00 0.00 O ATOM 302 OD2 ASP A 16 9.143 -9.982 3.561 1.00 0.00 O ATOM 0 H ASP A 16 5.588 -9.227 6.955 1.00 0.00 H new ATOM 0 HA ASP A 16 8.098 -7.813 6.465 1.00 0.00 H new ATOM 0 HB2 ASP A 16 8.676 -10.250 6.666 1.00 0.00 H new ATOM 0 HB3 ASP A 16 7.523 -10.611 5.396 1.00 0.00 H new ATOM 307 N VAL A 17 7.140 -6.951 4.358 1.00 0.00 N ATOM 308 CA VAL A 17 6.634 -6.326 3.131 1.00 0.00 C ATOM 309 C VAL A 17 7.799 -5.695 2.363 1.00 0.00 C ATOM 310 O VAL A 17 8.729 -5.152 2.968 1.00 0.00 O ATOM 311 CB VAL A 17 5.510 -5.316 3.456 1.00 0.00 C ATOM 312 CG1 VAL A 17 5.965 -4.127 4.310 1.00 0.00 C ATOM 313 CG2 VAL A 17 4.843 -4.783 2.188 1.00 0.00 C ATOM 0 H VAL A 17 7.937 -6.452 4.754 1.00 0.00 H new ATOM 0 HA VAL A 17 6.186 -7.082 2.486 1.00 0.00 H new ATOM 0 HB VAL A 17 4.794 -5.890 4.044 1.00 0.00 H new ATOM 0 HG11 VAL A 17 5.118 -3.466 4.493 1.00 0.00 H new ATOM 0 HG12 VAL A 17 6.355 -4.490 5.261 1.00 0.00 H new ATOM 0 HG13 VAL A 17 6.746 -3.579 3.784 1.00 0.00 H new ATOM 0 HG21 VAL A 17 4.059 -4.076 2.459 1.00 0.00 H new ATOM 0 HG22 VAL A 17 5.587 -4.280 1.570 1.00 0.00 H new ATOM 0 HG23 VAL A 17 4.407 -5.612 1.630 1.00 0.00 H new ATOM 323 N SER A 18 7.755 -5.772 1.031 1.00 0.00 N ATOM 324 CA SER A 18 8.733 -5.156 0.124 1.00 0.00 C ATOM 325 C SER A 18 8.102 -4.106 -0.797 1.00 0.00 C ATOM 326 O SER A 18 6.914 -4.169 -1.108 1.00 0.00 O ATOM 327 CB SER A 18 9.481 -6.236 -0.665 1.00 0.00 C ATOM 328 OG SER A 18 8.692 -6.828 -1.678 1.00 0.00 O ATOM 0 H SER A 18 7.019 -6.278 0.538 1.00 0.00 H new ATOM 0 HA SER A 18 9.456 -4.617 0.736 1.00 0.00 H new ATOM 0 HB2 SER A 18 10.371 -5.798 -1.116 1.00 0.00 H new ATOM 0 HB3 SER A 18 9.820 -7.011 0.023 1.00 0.00 H new ATOM 0 HG SER A 18 7.777 -6.950 -1.350 1.00 0.00 H new ATOM 334 N VAL A 19 8.889 -3.117 -1.223 1.00 0.00 N ATOM 335 CA VAL A 19 8.436 -1.960 -2.016 1.00 0.00 C ATOM 336 C VAL A 19 9.250 -1.803 -3.294 1.00 0.00 C ATOM 337 O VAL A 19 10.473 -1.946 -3.279 1.00 0.00 O ATOM 338 CB VAL A 19 8.481 -0.680 -1.166 1.00 0.00 C ATOM 339 CG1 VAL A 19 8.478 0.611 -1.998 1.00 0.00 C ATOM 340 CG2 VAL A 19 7.269 -0.680 -0.228 1.00 0.00 C ATOM 0 H VAL A 19 9.889 -3.093 -1.023 1.00 0.00 H new ATOM 0 HA VAL A 19 7.403 -2.139 -2.315 1.00 0.00 H new ATOM 0 HB VAL A 19 9.421 -0.689 -0.614 1.00 0.00 H new ATOM 0 HG11 VAL A 19 8.511 1.473 -1.332 1.00 0.00 H new ATOM 0 HG12 VAL A 19 9.350 0.624 -2.652 1.00 0.00 H new ATOM 0 HG13 VAL A 19 7.571 0.653 -2.601 1.00 0.00 H new ATOM 0 HG21 VAL A 19 7.283 0.222 0.384 1.00 0.00 H new ATOM 0 HG22 VAL A 19 6.353 -0.704 -0.818 1.00 0.00 H new ATOM 0 HG23 VAL A 19 7.308 -1.558 0.417 1.00 0.00 H new ATOM 350 N TYR A 20 8.569 -1.408 -4.371 1.00 0.00 N ATOM 351 CA TYR A 20 9.170 -1.016 -5.650 1.00 0.00 C ATOM 352 C TYR A 20 8.607 0.346 -6.102 1.00 0.00 C ATOM 353 O TYR A 20 7.411 0.467 -6.338 1.00 0.00 O ATOM 354 CB TYR A 20 8.893 -2.089 -6.728 1.00 0.00 C ATOM 355 CG TYR A 20 8.689 -3.515 -6.240 1.00 0.00 C ATOM 356 CD1 TYR A 20 9.785 -4.383 -6.091 1.00 0.00 C ATOM 357 CD2 TYR A 20 7.385 -3.982 -5.978 1.00 0.00 C ATOM 358 CE1 TYR A 20 9.589 -5.712 -5.663 1.00 0.00 C ATOM 359 CE2 TYR A 20 7.180 -5.313 -5.572 1.00 0.00 C ATOM 360 CZ TYR A 20 8.282 -6.179 -5.398 1.00 0.00 C ATOM 361 OH TYR A 20 8.075 -7.460 -4.988 1.00 0.00 O ATOM 0 H TYR A 20 7.551 -1.350 -4.379 1.00 0.00 H new ATOM 0 HA TYR A 20 10.248 -0.928 -5.516 1.00 0.00 H new ATOM 0 HB2 TYR A 20 8.005 -1.790 -7.284 1.00 0.00 H new ATOM 0 HB3 TYR A 20 9.726 -2.087 -7.432 1.00 0.00 H new ATOM 0 HD1 TYR A 20 10.783 -4.030 -6.306 1.00 0.00 H new ATOM 0 HD2 TYR A 20 6.542 -3.317 -6.089 1.00 0.00 H new ATOM 0 HE1 TYR A 20 10.435 -6.371 -5.538 1.00 0.00 H new ATOM 0 HE2 TYR A 20 6.178 -5.673 -5.393 1.00 0.00 H new ATOM 0 HH TYR A 20 8.204 -8.070 -5.744 1.00 0.00 H new ATOM 371 N ARG A 21 9.425 1.385 -6.278 1.00 0.00 N ATOM 372 CA ARG A 21 9.057 2.597 -7.047 1.00 0.00 C ATOM 373 C ARG A 21 8.712 2.237 -8.501 1.00 0.00 C ATOM 374 O ARG A 21 9.393 1.405 -9.105 1.00 0.00 O ATOM 375 CB ARG A 21 10.214 3.607 -7.026 1.00 0.00 C ATOM 376 CG ARG A 21 10.552 4.132 -5.618 1.00 0.00 C ATOM 377 CD ARG A 21 11.876 4.905 -5.617 1.00 0.00 C ATOM 378 NE ARG A 21 13.016 4.013 -5.912 1.00 0.00 N ATOM 379 CZ ARG A 21 14.268 4.365 -6.139 1.00 0.00 C ATOM 380 NH1 ARG A 21 15.169 3.459 -6.374 1.00 0.00 N ATOM 381 NH2 ARG A 21 14.651 5.612 -6.136 1.00 0.00 N ATOM 0 H ARG A 21 10.369 1.419 -5.893 1.00 0.00 H new ATOM 0 HA ARG A 21 8.179 3.043 -6.580 1.00 0.00 H new ATOM 0 HB2 ARG A 21 11.101 3.139 -7.452 1.00 0.00 H new ATOM 0 HB3 ARG A 21 9.960 4.451 -7.667 1.00 0.00 H new ATOM 0 HG2 ARG A 21 9.749 4.780 -5.266 1.00 0.00 H new ATOM 0 HG3 ARG A 21 10.615 3.296 -4.921 1.00 0.00 H new ATOM 0 HD2 ARG A 21 11.834 5.703 -6.358 1.00 0.00 H new ATOM 0 HD3 ARG A 21 12.023 5.378 -4.646 1.00 0.00 H new ATOM 0 HE ARG A 21 12.813 3.014 -5.944 1.00 0.00 H new ATOM 0 HH11 ARG A 21 14.910 2.472 -6.384 1.00 0.00 H new ATOM 0 HH12 ARG A 21 16.135 3.734 -6.549 1.00 0.00 H new ATOM 0 HH21 ARG A 21 13.974 6.353 -5.954 1.00 0.00 H new ATOM 0 HH22 ARG A 21 15.627 5.846 -6.316 1.00 0.00 H new ATOM 395 N ILE A 22 7.674 2.866 -9.065 1.00 0.00 N ATOM 396 CA ILE A 22 7.123 2.512 -10.396 1.00 0.00 C ATOM 397 C ILE A 22 7.010 3.708 -11.371 1.00 0.00 C ATOM 398 O ILE A 22 6.660 4.810 -10.937 1.00 0.00 O ATOM 399 CB ILE A 22 5.766 1.782 -10.258 1.00 0.00 C ATOM 400 CG1 ILE A 22 4.668 2.683 -9.653 1.00 0.00 C ATOM 401 CG2 ILE A 22 5.950 0.485 -9.463 1.00 0.00 C ATOM 402 CD1 ILE A 22 3.329 1.979 -9.455 1.00 0.00 C ATOM 0 H ILE A 22 7.184 3.640 -8.616 1.00 0.00 H new ATOM 0 HA ILE A 22 7.850 1.834 -10.843 1.00 0.00 H new ATOM 0 HB ILE A 22 5.418 1.527 -11.259 1.00 0.00 H new ATOM 0 HG12 ILE A 22 5.013 3.063 -8.691 1.00 0.00 H new ATOM 0 HG13 ILE A 22 4.521 3.546 -10.303 1.00 0.00 H new ATOM 0 HG21 ILE A 22 4.991 -0.024 -9.370 1.00 0.00 H new ATOM 0 HG22 ILE A 22 6.656 -0.163 -9.983 1.00 0.00 H new ATOM 0 HG23 ILE A 22 6.335 0.718 -8.470 1.00 0.00 H new ATOM 0 HD11 ILE A 22 2.610 2.678 -9.026 1.00 0.00 H new ATOM 0 HD12 ILE A 22 2.960 1.623 -10.417 1.00 0.00 H new ATOM 0 HD13 ILE A 22 3.459 1.133 -8.780 1.00 0.00 H new ATOM 414 N PRO A 23 7.258 3.514 -12.687 1.00 0.00 N ATOM 415 CA PRO A 23 7.063 4.555 -13.702 1.00 0.00 C ATOM 416 C PRO A 23 5.621 4.806 -14.227 1.00 0.00 C ATOM 417 O PRO A 23 5.324 5.978 -14.490 1.00 0.00 O ATOM 418 CB PRO A 23 8.055 4.231 -14.826 1.00 0.00 C ATOM 419 CG PRO A 23 8.350 2.739 -14.693 1.00 0.00 C ATOM 420 CD PRO A 23 8.043 2.408 -13.232 1.00 0.00 C ATOM 0 HA PRO A 23 7.250 5.516 -13.223 1.00 0.00 H new ATOM 0 HB2 PRO A 23 7.630 4.461 -15.803 1.00 0.00 H new ATOM 0 HB3 PRO A 23 8.966 4.821 -14.728 1.00 0.00 H new ATOM 0 HG2 PRO A 23 7.730 2.151 -15.370 1.00 0.00 H new ATOM 0 HG3 PRO A 23 9.389 2.518 -14.939 1.00 0.00 H new ATOM 0 HD2 PRO A 23 7.489 1.472 -13.159 1.00 0.00 H new ATOM 0 HD3 PRO A 23 8.966 2.277 -12.666 1.00 0.00 H new ATOM 428 N PRO A 24 4.711 3.818 -14.411 1.00 0.00 N ATOM 429 CA PRO A 24 3.370 4.064 -14.965 1.00 0.00 C ATOM 430 C PRO A 24 2.385 4.681 -13.953 1.00 0.00 C ATOM 431 O PRO A 24 2.659 4.749 -12.752 1.00 0.00 O ATOM 432 CB PRO A 24 2.885 2.698 -15.472 1.00 0.00 C ATOM 433 CG PRO A 24 3.554 1.722 -14.515 1.00 0.00 C ATOM 434 CD PRO A 24 4.907 2.384 -14.266 1.00 0.00 C ATOM 0 HA PRO A 24 3.420 4.807 -15.761 1.00 0.00 H new ATOM 0 HB2 PRO A 24 1.799 2.617 -15.437 1.00 0.00 H new ATOM 0 HB3 PRO A 24 3.185 2.521 -16.505 1.00 0.00 H new ATOM 0 HG2 PRO A 24 2.985 1.602 -13.593 1.00 0.00 H new ATOM 0 HG3 PRO A 24 3.661 0.731 -14.955 1.00 0.00 H new ATOM 0 HD2 PRO A 24 5.276 2.144 -13.269 1.00 0.00 H new ATOM 0 HD3 PRO A 24 5.650 2.022 -14.977 1.00 0.00 H new ATOM 525 N GLY A 30 -4.201 -0.498 -16.284 1.00 0.00 N ATOM 526 CA GLY A 30 -3.903 -0.339 -14.863 1.00 0.00 C ATOM 527 C GLY A 30 -2.408 -0.109 -14.665 1.00 0.00 C ATOM 528 O GLY A 30 -1.817 0.708 -15.376 1.00 0.00 O ATOM 0 HA2 GLY A 30 -4.465 0.502 -14.457 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -4.218 -1.227 -14.315 1.00 0.00 H new ATOM 532 N TYR A 31 -1.788 -0.850 -13.744 1.00 0.00 N ATOM 533 CA TYR A 31 -0.362 -0.702 -13.417 1.00 0.00 C ATOM 534 C TYR A 31 0.517 -1.876 -13.828 1.00 0.00 C ATOM 535 O TYR A 31 1.665 -1.639 -14.197 1.00 0.00 O ATOM 536 CB TYR A 31 -0.211 -0.492 -11.914 1.00 0.00 C ATOM 537 CG TYR A 31 -0.525 0.913 -11.485 1.00 0.00 C ATOM 538 CD1 TYR A 31 0.498 1.875 -11.521 1.00 0.00 C ATOM 539 CD2 TYR A 31 -1.814 1.239 -11.032 1.00 0.00 C ATOM 540 CE1 TYR A 31 0.244 3.169 -11.034 1.00 0.00 C ATOM 541 CE2 TYR A 31 -2.081 2.546 -10.583 1.00 0.00 C ATOM 542 CZ TYR A 31 -1.044 3.509 -10.561 1.00 0.00 C ATOM 543 OH TYR A 31 -1.271 4.760 -10.075 1.00 0.00 O ATOM 0 H TYR A 31 -2.260 -1.573 -13.200 1.00 0.00 H new ATOM 0 HA TYR A 31 -0.018 0.156 -13.994 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -0.870 -1.183 -11.388 1.00 0.00 H new ATOM 0 HB3 TYR A 31 0.809 -0.737 -11.619 1.00 0.00 H new ATOM 0 HD1 TYR A 31 1.470 1.623 -11.919 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -2.594 0.492 -11.028 1.00 0.00 H new ATOM 0 HE1 TYR A 31 1.034 3.905 -11.021 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -3.075 2.813 -10.256 1.00 0.00 H new ATOM 0 HH TYR A 31 -2.206 4.836 -9.791 1.00 0.00 H new ATOM 553 N ARG A 32 -0.013 -3.105 -13.735 1.00 0.00 N ATOM 554 CA ARG A 32 0.635 -4.412 -13.902 1.00 0.00 C ATOM 555 C ARG A 32 2.005 -4.538 -13.213 1.00 0.00 C ATOM 556 O ARG A 32 2.996 -4.024 -13.715 1.00 0.00 O ATOM 557 CB ARG A 32 0.662 -4.854 -15.386 1.00 0.00 C ATOM 558 CG ARG A 32 -0.295 -4.197 -16.407 1.00 0.00 C ATOM 559 CD ARG A 32 0.273 -2.979 -17.156 1.00 0.00 C ATOM 560 NE ARG A 32 1.249 -3.321 -18.211 1.00 0.00 N ATOM 561 CZ ARG A 32 1.048 -3.853 -19.402 1.00 0.00 C ATOM 562 NH1 ARG A 32 2.056 -3.938 -20.212 1.00 0.00 N ATOM 563 NH2 ARG A 32 -0.113 -4.285 -19.808 1.00 0.00 N ATOM 0 H ARG A 32 -1.004 -3.218 -13.520 1.00 0.00 H new ATOM 0 HA ARG A 32 0.003 -5.120 -13.365 1.00 0.00 H new ATOM 0 HB2 ARG A 32 1.678 -4.703 -15.751 1.00 0.00 H new ATOM 0 HB3 ARG A 32 0.472 -5.927 -15.408 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -0.588 -4.948 -17.140 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -1.201 -3.891 -15.885 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -0.552 -2.425 -17.605 1.00 0.00 H new ATOM 0 HD3 ARG A 32 0.750 -2.314 -16.437 1.00 0.00 H new ATOM 0 HE ARG A 32 2.222 -3.116 -17.986 1.00 0.00 H new ATOM 0 HH11 ARG A 32 2.973 -3.599 -19.922 1.00 0.00 H new ATOM 0 HH12 ARG A 32 1.932 -4.344 -21.139 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -0.925 -4.220 -19.193 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -0.210 -4.688 -20.740 1.00 0.00 H new ATOM 577 N ALA A 33 2.106 -5.321 -12.131 1.00 0.00 N ATOM 578 CA ALA A 33 3.405 -5.640 -11.507 1.00 0.00 C ATOM 579 C ALA A 33 4.420 -6.185 -12.529 1.00 0.00 C ATOM 580 O ALA A 33 5.603 -5.861 -12.492 1.00 0.00 O ATOM 581 CB ALA A 33 3.189 -6.659 -10.383 1.00 0.00 C ATOM 0 H ALA A 33 1.305 -5.748 -11.666 1.00 0.00 H new ATOM 0 HA ALA A 33 3.821 -4.718 -11.101 1.00 0.00 H new ATOM 0 HB1 ALA A 33 4.146 -6.898 -9.919 1.00 0.00 H new ATOM 0 HB2 ALA A 33 2.518 -6.238 -9.634 1.00 0.00 H new ATOM 0 HB3 ALA A 33 2.749 -7.567 -10.795 1.00 0.00 H new ATOM 587 N SER A 34 3.909 -6.954 -13.495 1.00 0.00 N ATOM 588 CA SER A 34 4.611 -7.506 -14.655 1.00 0.00 C ATOM 589 C SER A 34 5.246 -6.463 -15.598 1.00 0.00 C ATOM 590 O SER A 34 6.100 -6.822 -16.409 1.00 0.00 O ATOM 591 CB SER A 34 3.578 -8.338 -15.425 1.00 0.00 C ATOM 592 OG SER A 34 3.154 -9.441 -14.640 1.00 0.00 O ATOM 0 H SER A 34 2.926 -7.225 -13.485 1.00 0.00 H new ATOM 0 HA SER A 34 5.457 -8.088 -14.289 1.00 0.00 H new ATOM 0 HB2 SER A 34 2.721 -7.717 -15.685 1.00 0.00 H new ATOM 0 HB3 SER A 34 4.010 -8.693 -16.361 1.00 0.00 H new ATOM 0 HG SER A 34 2.494 -9.964 -15.141 1.00 0.00 H new ATOM 598 N ASP A 35 4.861 -5.182 -15.515 1.00 0.00 N ATOM 599 CA ASP A 35 5.417 -4.078 -16.312 1.00 0.00 C ATOM 600 C ASP A 35 6.697 -3.466 -15.704 1.00 0.00 C ATOM 601 O ASP A 35 7.513 -2.890 -16.428 1.00 0.00 O ATOM 602 CB ASP A 35 4.340 -2.993 -16.454 1.00 0.00 C ATOM 603 CG ASP A 35 4.529 -2.152 -17.719 1.00 0.00 C ATOM 604 OD1 ASP A 35 4.025 -2.596 -18.779 1.00 0.00 O ATOM 605 OD2 ASP A 35 5.114 -1.045 -17.655 1.00 0.00 O ATOM 0 H ASP A 35 4.131 -4.875 -14.872 1.00 0.00 H new ATOM 0 HA ASP A 35 5.705 -4.483 -17.282 1.00 0.00 H new ATOM 0 HB2 ASP A 35 3.356 -3.461 -16.475 1.00 0.00 H new ATOM 0 HB3 ASP A 35 4.365 -2.342 -15.580 1.00 0.00 H new ATOM 610 N TRP A 36 6.885 -3.601 -14.385 1.00 0.00 N ATOM 611 CA TRP A 36 8.006 -3.053 -13.610 1.00 0.00 C ATOM 612 C TRP A 36 8.772 -4.174 -12.875 1.00 0.00 C ATOM 613 O TRP A 36 8.531 -5.366 -13.093 1.00 0.00 O ATOM 614 CB TRP A 36 7.513 -1.900 -12.698 1.00 0.00 C ATOM 615 CG TRP A 36 6.068 -1.857 -12.297 1.00 0.00 C ATOM 616 CD1 TRP A 36 5.093 -1.232 -12.993 1.00 0.00 C ATOM 617 CD2 TRP A 36 5.415 -2.385 -11.097 1.00 0.00 C ATOM 618 NE1 TRP A 36 3.887 -1.373 -12.348 1.00 0.00 N ATOM 619 CE2 TRP A 36 4.037 -2.008 -11.137 1.00 0.00 C ATOM 620 CE3 TRP A 36 5.846 -3.103 -9.959 1.00 0.00 C ATOM 621 CZ2 TRP A 36 3.150 -2.292 -10.090 1.00 0.00 C ATOM 622 CZ3 TRP A 36 4.957 -3.415 -8.912 1.00 0.00 C ATOM 623 CH2 TRP A 36 3.613 -2.998 -8.967 1.00 0.00 C ATOM 0 H TRP A 36 6.229 -4.120 -13.801 1.00 0.00 H new ATOM 0 HA TRP A 36 8.739 -2.607 -14.282 1.00 0.00 H new ATOM 0 HB2 TRP A 36 8.107 -1.926 -11.785 1.00 0.00 H new ATOM 0 HB3 TRP A 36 7.743 -0.961 -13.201 1.00 0.00 H new ATOM 0 HD1 TRP A 36 5.240 -0.699 -13.921 1.00 0.00 H new ATOM 0 HE1 TRP A 36 2.995 -1.048 -12.720 1.00 0.00 H new ATOM 0 HE3 TRP A 36 6.877 -3.419 -9.891 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 2.120 -1.971 -10.146 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 5.309 -3.978 -8.060 1.00 0.00 H new ATOM 0 HH2 TRP A 36 2.942 -3.220 -8.150 1.00 0.00 H new ATOM 634 N LYS A 37 9.734 -3.814 -12.016 1.00 0.00 N ATOM 635 CA LYS A 37 10.396 -4.754 -11.098 1.00 0.00 C ATOM 636 C LYS A 37 9.382 -5.316 -10.092 1.00 0.00 C ATOM 637 O LYS A 37 9.022 -4.623 -9.146 1.00 0.00 O ATOM 638 CB LYS A 37 11.547 -4.033 -10.365 1.00 0.00 C ATOM 639 CG LYS A 37 12.821 -3.965 -11.216 1.00 0.00 C ATOM 640 CD LYS A 37 13.895 -3.113 -10.524 1.00 0.00 C ATOM 641 CE LYS A 37 15.276 -3.442 -11.101 1.00 0.00 C ATOM 642 NZ LYS A 37 16.346 -2.618 -10.481 1.00 0.00 N ATOM 0 H LYS A 37 10.078 -2.857 -11.937 1.00 0.00 H new ATOM 0 HA LYS A 37 10.807 -5.587 -11.668 1.00 0.00 H new ATOM 0 HB2 LYS A 37 11.233 -3.023 -10.103 1.00 0.00 H new ATOM 0 HB3 LYS A 37 11.763 -4.552 -9.431 1.00 0.00 H new ATOM 0 HG2 LYS A 37 13.203 -4.971 -11.387 1.00 0.00 H new ATOM 0 HG3 LYS A 37 12.589 -3.542 -12.193 1.00 0.00 H new ATOM 0 HD2 LYS A 37 13.676 -2.054 -10.663 1.00 0.00 H new ATOM 0 HD3 LYS A 37 13.886 -3.302 -9.451 1.00 0.00 H new ATOM 0 HE2 LYS A 37 15.493 -4.498 -10.943 1.00 0.00 H new ATOM 0 HE3 LYS A 37 15.268 -3.276 -12.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 17.265 -2.871 -10.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 16.153 -1.611 -10.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 16.371 -2.795 -9.456 1.00 0.00 H new ATOM 656 N LEU A 38 8.971 -6.577 -10.266 1.00 0.00 N ATOM 657 CA LEU A 38 8.224 -7.348 -9.254 1.00 0.00 C ATOM 658 C LEU A 38 9.113 -8.287 -8.409 1.00 0.00 C ATOM 659 O LEU A 38 8.615 -9.020 -7.556 1.00 0.00 O ATOM 660 CB LEU A 38 6.997 -8.031 -9.888 1.00 0.00 C ATOM 661 CG LEU A 38 7.222 -9.119 -10.956 1.00 0.00 C ATOM 662 CD1 LEU A 38 7.891 -10.398 -10.448 1.00 0.00 C ATOM 663 CD2 LEU A 38 5.870 -9.545 -11.534 1.00 0.00 C ATOM 0 H LEU A 38 9.148 -7.101 -11.123 1.00 0.00 H new ATOM 0 HA LEU A 38 7.842 -6.641 -8.518 1.00 0.00 H new ATOM 0 HB2 LEU A 38 6.414 -8.476 -9.082 1.00 0.00 H new ATOM 0 HB3 LEU A 38 6.380 -7.252 -10.336 1.00 0.00 H new ATOM 0 HG LEU A 38 7.889 -8.659 -11.685 1.00 0.00 H new ATOM 0 HD11 LEU A 38 8.005 -11.101 -11.273 1.00 0.00 H new ATOM 0 HD12 LEU A 38 8.872 -10.157 -10.038 1.00 0.00 H new ATOM 0 HD13 LEU A 38 7.273 -10.848 -9.671 1.00 0.00 H new ATOM 0 HD21 LEU A 38 6.024 -10.315 -12.290 1.00 0.00 H new ATOM 0 HD22 LEU A 38 5.242 -9.941 -10.736 1.00 0.00 H new ATOM 0 HD23 LEU A 38 5.381 -8.683 -11.988 1.00 0.00 H new ATOM 675 N ASP A 39 10.429 -8.285 -8.655 1.00 0.00 N ATOM 676 CA ASP A 39 11.401 -9.221 -8.064 1.00 0.00 C ATOM 677 C ASP A 39 12.555 -8.521 -7.306 1.00 0.00 C ATOM 678 O ASP A 39 13.311 -9.175 -6.586 1.00 0.00 O ATOM 679 CB ASP A 39 11.947 -10.105 -9.199 1.00 0.00 C ATOM 680 CG ASP A 39 12.855 -11.244 -8.704 1.00 0.00 C ATOM 681 OD1 ASP A 39 12.360 -12.145 -7.985 1.00 0.00 O ATOM 682 OD2 ASP A 39 14.054 -11.267 -9.076 1.00 0.00 O ATOM 0 H ASP A 39 10.862 -7.614 -9.289 1.00 0.00 H new ATOM 0 HA ASP A 39 10.889 -9.818 -7.309 1.00 0.00 H new ATOM 0 HB2 ASP A 39 11.110 -10.532 -9.752 1.00 0.00 H new ATOM 0 HB3 ASP A 39 12.506 -9.482 -9.898 1.00 0.00 H new ATOM 687 N GLN A 40 12.706 -7.198 -7.466 1.00 0.00 N ATOM 688 CA GLN A 40 13.873 -6.419 -7.015 1.00 0.00 C ATOM 689 C GLN A 40 13.451 -5.161 -6.220 1.00 0.00 C ATOM 690 O GLN A 40 13.276 -4.095 -6.820 1.00 0.00 O ATOM 691 CB GLN A 40 14.742 -6.064 -8.235 1.00 0.00 C ATOM 692 CG GLN A 40 15.462 -7.277 -8.845 1.00 0.00 C ATOM 693 CD GLN A 40 16.308 -6.878 -10.052 1.00 0.00 C ATOM 694 OE1 GLN A 40 17.193 -6.035 -9.980 1.00 0.00 O ATOM 695 NE2 GLN A 40 16.053 -7.428 -11.220 1.00 0.00 N ATOM 0 H GLN A 40 12.001 -6.622 -7.926 1.00 0.00 H new ATOM 0 HA GLN A 40 14.462 -7.026 -6.327 1.00 0.00 H new ATOM 0 HB2 GLN A 40 14.114 -5.602 -8.997 1.00 0.00 H new ATOM 0 HB3 GLN A 40 15.483 -5.321 -7.940 1.00 0.00 H new ATOM 0 HG2 GLN A 40 16.098 -7.741 -8.091 1.00 0.00 H new ATOM 0 HG3 GLN A 40 14.727 -8.024 -9.145 1.00 0.00 H new ATOM 0 HE21 GLN A 40 15.320 -8.132 -11.303 1.00 0.00 H new ATOM 0 HE22 GLN A 40 16.588 -7.150 -12.042 1.00 0.00 H new ATOM 704 N PRO A 41 13.264 -5.258 -4.886 1.00 0.00 N ATOM 705 CA PRO A 41 12.820 -4.145 -4.039 1.00 0.00 C ATOM 706 C PRO A 41 13.805 -2.971 -3.945 1.00 0.00 C ATOM 707 O PRO A 41 15.023 -3.138 -4.046 1.00 0.00 O ATOM 708 CB PRO A 41 12.571 -4.743 -2.647 1.00 0.00 C ATOM 709 CG PRO A 41 12.334 -6.225 -2.930 1.00 0.00 C ATOM 710 CD PRO A 41 13.267 -6.488 -4.106 1.00 0.00 C ATOM 0 HA PRO A 41 11.927 -3.707 -4.485 1.00 0.00 H new ATOM 0 HB2 PRO A 41 13.426 -4.592 -1.987 1.00 0.00 H new ATOM 0 HB3 PRO A 41 11.709 -4.285 -2.162 1.00 0.00 H new ATOM 0 HG2 PRO A 41 12.580 -6.847 -2.069 1.00 0.00 H new ATOM 0 HG3 PRO A 41 11.294 -6.429 -3.184 1.00 0.00 H new ATOM 0 HD2 PRO A 41 14.272 -6.733 -3.763 1.00 0.00 H new ATOM 0 HD3 PRO A 41 12.919 -7.332 -4.702 1.00 0.00 H new ATOM 718 N ASP A 42 13.262 -1.787 -3.657 1.00 0.00 N ATOM 719 CA ASP A 42 14.004 -0.604 -3.208 1.00 0.00 C ATOM 720 C ASP A 42 14.097 -0.529 -1.679 1.00 0.00 C ATOM 721 O ASP A 42 15.095 -0.052 -1.132 1.00 0.00 O ATOM 722 CB ASP A 42 13.294 0.666 -3.698 1.00 0.00 C ATOM 723 CG ASP A 42 13.329 0.858 -5.214 1.00 0.00 C ATOM 724 OD1 ASP A 42 14.430 0.838 -5.811 1.00 0.00 O ATOM 725 OD2 ASP A 42 12.268 1.184 -5.792 1.00 0.00 O ATOM 0 H ASP A 42 12.259 -1.618 -3.732 1.00 0.00 H new ATOM 0 HA ASP A 42 15.010 -0.681 -3.620 1.00 0.00 H new ATOM 0 HB2 ASP A 42 12.255 0.637 -3.371 1.00 0.00 H new ATOM 0 HB3 ASP A 42 13.754 1.532 -3.223 1.00 0.00 H new ATOM 730 N TRP A 43 13.050 -0.997 -0.992 1.00 0.00 N ATOM 731 CA TRP A 43 12.921 -0.967 0.461 1.00 0.00 C ATOM 732 C TRP A 43 12.163 -2.197 0.973 1.00 0.00 C ATOM 733 O TRP A 43 11.287 -2.728 0.285 1.00 0.00 O ATOM 734 CB TRP A 43 12.211 0.330 0.881 1.00 0.00 C ATOM 735 CG TRP A 43 11.908 0.453 2.343 1.00 0.00 C ATOM 736 CD1 TRP A 43 12.706 1.032 3.268 1.00 0.00 C ATOM 737 CD2 TRP A 43 10.731 -0.021 3.072 1.00 0.00 C ATOM 738 NE1 TRP A 43 12.111 0.948 4.512 1.00 0.00 N ATOM 739 CE2 TRP A 43 10.886 0.318 4.448 1.00 0.00 C ATOM 740 CE3 TRP A 43 9.547 -0.703 2.711 1.00 0.00 C ATOM 741 CZ2 TRP A 43 9.908 0.021 5.407 1.00 0.00 C ATOM 742 CZ3 TRP A 43 8.570 -1.029 3.670 1.00 0.00 C ATOM 743 CH2 TRP A 43 8.746 -0.666 5.017 1.00 0.00 C ATOM 0 H TRP A 43 12.244 -1.421 -1.452 1.00 0.00 H new ATOM 0 HA TRP A 43 13.916 -0.991 0.906 1.00 0.00 H new ATOM 0 HB2 TRP A 43 12.831 1.176 0.583 1.00 0.00 H new ATOM 0 HB3 TRP A 43 11.276 0.409 0.326 1.00 0.00 H new ATOM 0 HD1 TRP A 43 13.663 1.490 3.065 1.00 0.00 H new ATOM 0 HE1 TRP A 43 12.526 1.307 5.371 1.00 0.00 H new ATOM 0 HE3 TRP A 43 9.389 -0.979 1.679 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 10.046 0.317 6.436 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 7.680 -1.561 3.370 1.00 0.00 H new ATOM 0 HH2 TRP A 43 7.991 -0.914 5.749 1.00 0.00 H new ATOM 754 N THR A 44 12.486 -2.637 2.189 1.00 0.00 N ATOM 755 CA THR A 44 11.813 -3.727 2.901 1.00 0.00 C ATOM 756 C THR A 44 11.674 -3.419 4.389 1.00 0.00 C ATOM 757 O THR A 44 12.507 -2.731 4.988 1.00 0.00 O ATOM 758 CB THR A 44 12.554 -5.062 2.713 1.00 0.00 C ATOM 759 OG1 THR A 44 13.879 -4.991 3.198 1.00 0.00 O ATOM 760 CG2 THR A 44 12.637 -5.504 1.250 1.00 0.00 C ATOM 0 H THR A 44 13.252 -2.230 2.726 1.00 0.00 H new ATOM 0 HA THR A 44 10.816 -3.818 2.470 1.00 0.00 H new ATOM 0 HB THR A 44 11.967 -5.786 3.277 1.00 0.00 H new ATOM 0 HG1 THR A 44 14.322 -5.855 3.066 1.00 0.00 H new ATOM 0 HG21 THR A 44 13.171 -6.452 1.186 1.00 0.00 H new ATOM 0 HG22 THR A 44 11.631 -5.627 0.849 1.00 0.00 H new ATOM 0 HG23 THR A 44 13.168 -4.748 0.671 1.00 0.00 H new ATOM 768 N GLY A 45 10.600 -3.927 4.996 1.00 0.00 N ATOM 769 CA GLY A 45 10.276 -3.656 6.393 1.00 0.00 C ATOM 770 C GLY A 45 8.933 -4.242 6.821 1.00 0.00 C ATOM 771 O GLY A 45 8.633 -5.405 6.547 1.00 0.00 O ATOM 0 H GLY A 45 9.930 -4.539 4.529 1.00 0.00 H new ATOM 0 HA2 GLY A 45 11.063 -4.064 7.028 1.00 0.00 H new ATOM 0 HA3 GLY A 45 10.263 -2.578 6.554 1.00 0.00 H new ATOM 775 N ARG A 46 8.147 -3.419 7.514 1.00 0.00 N ATOM 776 CA ARG A 46 6.880 -3.748 8.189 1.00 0.00 C ATOM 777 C ARG A 46 5.733 -2.882 7.658 1.00 0.00 C ATOM 778 O ARG A 46 5.899 -1.683 7.439 1.00 0.00 O ATOM 779 CB ARG A 46 7.089 -3.582 9.710 1.00 0.00 C ATOM 780 CG ARG A 46 5.854 -3.942 10.553 1.00 0.00 C ATOM 781 CD ARG A 46 6.142 -3.931 12.060 1.00 0.00 C ATOM 782 NE ARG A 46 6.277 -2.567 12.610 1.00 0.00 N ATOM 783 CZ ARG A 46 6.939 -2.218 13.697 1.00 0.00 C ATOM 784 NH1 ARG A 46 6.842 -0.999 14.127 1.00 0.00 N ATOM 785 NH2 ARG A 46 7.677 -3.049 14.378 1.00 0.00 N ATOM 0 H ARG A 46 8.390 -2.435 7.630 1.00 0.00 H new ATOM 0 HA ARG A 46 6.596 -4.780 7.982 1.00 0.00 H new ATOM 0 HB2 ARG A 46 7.925 -4.208 10.022 1.00 0.00 H new ATOM 0 HB3 ARG A 46 7.370 -2.549 9.917 1.00 0.00 H new ATOM 0 HG2 ARG A 46 5.052 -3.236 10.335 1.00 0.00 H new ATOM 0 HG3 ARG A 46 5.496 -4.930 10.263 1.00 0.00 H new ATOM 0 HD2 ARG A 46 5.338 -4.450 12.582 1.00 0.00 H new ATOM 0 HD3 ARG A 46 7.059 -4.488 12.254 1.00 0.00 H new ATOM 0 HE ARG A 46 5.811 -1.818 12.097 1.00 0.00 H new ATOM 0 HH11 ARG A 46 6.261 -0.326 13.627 1.00 0.00 H new ATOM 0 HH12 ARG A 46 7.347 -0.712 14.966 1.00 0.00 H new ATOM 0 HH21 ARG A 46 7.763 -4.020 14.077 1.00 0.00 H new ATOM 0 HH22 ARG A 46 8.169 -2.729 15.212 1.00 0.00 H new ATOM 799 N LEU A 47 4.555 -3.479 7.487 1.00 0.00 N ATOM 800 CA LEU A 47 3.316 -2.762 7.158 1.00 0.00 C ATOM 801 C LEU A 47 2.634 -2.266 8.440 1.00 0.00 C ATOM 802 O LEU A 47 2.556 -3.023 9.409 1.00 0.00 O ATOM 803 CB LEU A 47 2.386 -3.725 6.405 1.00 0.00 C ATOM 804 CG LEU A 47 1.024 -3.130 5.997 1.00 0.00 C ATOM 805 CD1 LEU A 47 1.141 -2.265 4.746 1.00 0.00 C ATOM 806 CD2 LEU A 47 0.024 -4.266 5.782 1.00 0.00 C ATOM 0 H LEU A 47 4.428 -4.487 7.573 1.00 0.00 H new ATOM 0 HA LEU A 47 3.542 -1.896 6.536 1.00 0.00 H new ATOM 0 HB2 LEU A 47 2.897 -4.072 5.507 1.00 0.00 H new ATOM 0 HB3 LEU A 47 2.210 -4.600 7.031 1.00 0.00 H new ATOM 0 HG LEU A 47 0.671 -2.482 6.799 1.00 0.00 H new ATOM 0 HD11 LEU A 47 0.161 -1.863 4.489 1.00 0.00 H new ATOM 0 HD12 LEU A 47 1.832 -1.444 4.935 1.00 0.00 H new ATOM 0 HD13 LEU A 47 1.513 -2.870 3.919 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -0.942 -3.851 5.493 1.00 0.00 H new ATOM 0 HD22 LEU A 47 0.386 -4.925 4.993 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -0.087 -4.833 6.706 1.00 0.00 H new ATOM 818 N ARG A 48 2.048 -1.063 8.423 1.00 0.00 N ATOM 819 CA ARG A 48 1.155 -0.573 9.484 1.00 0.00 C ATOM 820 C ARG A 48 -0.021 0.213 8.888 1.00 0.00 C ATOM 821 O ARG A 48 0.123 1.368 8.496 1.00 0.00 O ATOM 822 CB ARG A 48 2.001 0.265 10.465 1.00 0.00 C ATOM 823 CG ARG A 48 1.445 0.285 11.893 1.00 0.00 C ATOM 824 CD ARG A 48 1.724 -1.051 12.599 1.00 0.00 C ATOM 825 NE ARG A 48 1.437 -0.979 14.042 1.00 0.00 N ATOM 826 CZ ARG A 48 2.236 -0.512 14.987 1.00 0.00 C ATOM 827 NH1 ARG A 48 1.856 -0.537 16.233 1.00 0.00 N ATOM 828 NH2 ARG A 48 3.413 -0.012 14.737 1.00 0.00 N ATOM 0 H ARG A 48 2.181 -0.394 7.665 1.00 0.00 H new ATOM 0 HA ARG A 48 0.707 -1.404 10.029 1.00 0.00 H new ATOM 0 HB2 ARG A 48 3.017 -0.130 10.485 1.00 0.00 H new ATOM 0 HB3 ARG A 48 2.064 1.288 10.094 1.00 0.00 H new ATOM 0 HG2 ARG A 48 1.899 1.101 12.455 1.00 0.00 H new ATOM 0 HG3 ARG A 48 0.372 0.473 11.869 1.00 0.00 H new ATOM 0 HD2 ARG A 48 1.116 -1.835 12.146 1.00 0.00 H new ATOM 0 HD3 ARG A 48 2.767 -1.330 12.450 1.00 0.00 H new ATOM 0 HE ARG A 48 0.527 -1.326 14.344 1.00 0.00 H new ATOM 0 HH11 ARG A 48 0.942 -0.917 16.480 1.00 0.00 H new ATOM 0 HH12 ARG A 48 2.472 -0.177 16.961 1.00 0.00 H new ATOM 0 HH21 ARG A 48 3.755 0.032 13.777 1.00 0.00 H new ATOM 0 HH22 ARG A 48 3.992 0.336 15.501 1.00 0.00 H new ATOM 842 N ILE A 49 -1.195 -0.407 8.805 1.00 0.00 N ATOM 843 CA ILE A 49 -2.426 0.247 8.333 1.00 0.00 C ATOM 844 C ILE A 49 -3.204 0.772 9.536 1.00 0.00 C ATOM 845 O ILE A 49 -3.470 0.036 10.491 1.00 0.00 O ATOM 846 CB ILE A 49 -3.281 -0.681 7.449 1.00 0.00 C ATOM 847 CG1 ILE A 49 -2.452 -1.197 6.254 1.00 0.00 C ATOM 848 CG2 ILE A 49 -4.541 0.038 6.938 1.00 0.00 C ATOM 849 CD1 ILE A 49 -3.243 -2.066 5.272 1.00 0.00 C ATOM 0 H ILE A 49 -1.327 -1.385 9.064 1.00 0.00 H new ATOM 0 HA ILE A 49 -2.153 1.086 7.693 1.00 0.00 H new ATOM 0 HB ILE A 49 -3.595 -1.526 8.061 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -2.040 -0.343 5.716 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -1.608 -1.773 6.633 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -5.123 -0.644 6.317 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -5.145 0.361 7.786 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -4.250 0.907 6.348 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -2.588 -2.388 4.462 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -3.633 -2.941 5.793 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -4.072 -1.489 4.861 1.00 0.00 H new ATOM 861 N THR A 50 -3.599 2.036 9.470 1.00 0.00 N ATOM 862 CA THR A 50 -4.359 2.760 10.499 1.00 0.00 C ATOM 863 C THR A 50 -5.526 3.529 9.865 1.00 0.00 C ATOM 864 O THR A 50 -5.650 3.573 8.640 1.00 0.00 O ATOM 865 CB THR A 50 -3.433 3.723 11.261 1.00 0.00 C ATOM 866 OG1 THR A 50 -2.839 4.600 10.339 1.00 0.00 O ATOM 867 CG2 THR A 50 -2.300 3.024 12.016 1.00 0.00 C ATOM 0 H THR A 50 -3.391 2.620 8.660 1.00 0.00 H new ATOM 0 HA THR A 50 -4.768 2.036 11.204 1.00 0.00 H new ATOM 0 HB THR A 50 -4.058 4.233 11.994 1.00 0.00 H new ATOM 0 HG1 THR A 50 -2.824 5.506 10.712 1.00 0.00 H new ATOM 0 HG21 THR A 50 -1.690 3.769 12.528 1.00 0.00 H new ATOM 0 HG22 THR A 50 -2.721 2.335 12.748 1.00 0.00 H new ATOM 0 HG23 THR A 50 -1.680 2.470 11.311 1.00 0.00 H new ATOM 875 N SER A 51 -6.417 4.123 10.666 1.00 0.00 N ATOM 876 CA SER A 51 -7.546 4.920 10.173 1.00 0.00 C ATOM 877 C SER A 51 -8.070 5.967 11.160 1.00 0.00 C ATOM 878 O SER A 51 -8.508 5.662 12.267 1.00 0.00 O ATOM 879 CB SER A 51 -8.704 4.018 9.734 1.00 0.00 C ATOM 880 OG SER A 51 -9.161 3.186 10.788 1.00 0.00 O ATOM 0 H SER A 51 -6.375 4.064 11.683 1.00 0.00 H new ATOM 0 HA SER A 51 -7.143 5.469 9.322 1.00 0.00 H new ATOM 0 HB2 SER A 51 -9.528 4.635 9.376 1.00 0.00 H new ATOM 0 HB3 SER A 51 -8.383 3.398 8.897 1.00 0.00 H new ATOM 0 HG SER A 51 -9.115 3.676 11.635 1.00 0.00 H new ATOM 886 N LYS A 52 -8.073 7.230 10.744 1.00 0.00 N ATOM 887 CA LYS A 52 -8.748 8.339 11.426 1.00 0.00 C ATOM 888 C LYS A 52 -10.146 8.539 10.822 1.00 0.00 C ATOM 889 O LYS A 52 -10.358 9.347 9.917 1.00 0.00 O ATOM 890 CB LYS A 52 -7.834 9.562 11.358 1.00 0.00 C ATOM 891 CG LYS A 52 -8.301 10.702 12.263 1.00 0.00 C ATOM 892 CD LYS A 52 -7.706 12.041 11.815 1.00 0.00 C ATOM 893 CE LYS A 52 -6.187 12.059 11.614 1.00 0.00 C ATOM 894 NZ LYS A 52 -5.761 13.312 10.947 1.00 0.00 N ATOM 0 H LYS A 52 -7.590 7.524 9.895 1.00 0.00 H new ATOM 0 HA LYS A 52 -8.921 8.135 12.483 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -6.823 9.270 11.641 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -7.786 9.918 10.329 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -9.389 10.761 12.247 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -8.008 10.497 13.293 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -8.181 12.334 10.879 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -7.965 12.798 12.555 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -5.687 11.966 12.578 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -5.885 11.201 11.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -4.729 13.304 10.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -6.223 13.385 10.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -6.032 14.127 11.534 1.00 0.00 H new ATOM 908 N GLY A 53 -11.088 7.729 11.296 1.00 0.00 N ATOM 909 CA GLY A 53 -12.490 7.715 10.861 1.00 0.00 C ATOM 910 C GLY A 53 -12.660 7.062 9.486 1.00 0.00 C ATOM 911 O GLY A 53 -12.137 5.972 9.248 1.00 0.00 O ATOM 0 H GLY A 53 -10.894 7.037 12.020 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -13.091 7.177 11.594 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -12.869 8.737 10.826 1.00 0.00 H new ATOM 915 N LYS A 54 -13.348 7.743 8.558 1.00 0.00 N ATOM 916 CA LYS A 54 -13.536 7.320 7.149 1.00 0.00 C ATOM 917 C LYS A 54 -12.265 7.343 6.306 1.00 0.00 C ATOM 918 O LYS A 54 -12.266 6.869 5.173 1.00 0.00 O ATOM 919 CB LYS A 54 -14.715 8.124 6.553 1.00 0.00 C ATOM 920 CG LYS A 54 -15.305 7.610 5.225 1.00 0.00 C ATOM 921 CD LYS A 54 -14.869 8.394 3.975 1.00 0.00 C ATOM 922 CE LYS A 54 -15.684 7.950 2.751 1.00 0.00 C ATOM 923 NZ LYS A 54 -15.163 8.574 1.507 1.00 0.00 N ATOM 0 H LYS A 54 -13.805 8.631 8.766 1.00 0.00 H new ATOM 0 HA LYS A 54 -13.791 6.260 7.134 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -15.515 8.152 7.292 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -14.384 9.152 6.403 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -15.021 6.565 5.098 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -16.393 7.638 5.293 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -15.006 9.462 4.142 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -13.807 8.234 3.790 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -15.647 6.864 2.660 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -16.730 8.223 2.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -15.850 8.440 0.738 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -15.014 9.591 1.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -14.260 8.128 1.247 1.00 0.00 H new ATOM 937 N THR A 55 -11.160 7.802 6.878 1.00 0.00 N ATOM 938 CA THR A 55 -9.864 7.835 6.211 1.00 0.00 C ATOM 939 C THR A 55 -8.938 6.741 6.735 1.00 0.00 C ATOM 940 O THR A 55 -8.629 6.731 7.924 1.00 0.00 O ATOM 941 CB THR A 55 -9.216 9.207 6.396 1.00 0.00 C ATOM 942 OG1 THR A 55 -10.124 10.259 6.122 1.00 0.00 O ATOM 943 CG2 THR A 55 -8.094 9.335 5.382 1.00 0.00 C ATOM 0 H THR A 55 -11.138 8.167 7.830 1.00 0.00 H new ATOM 0 HA THR A 55 -10.027 7.653 5.149 1.00 0.00 H new ATOM 0 HB THR A 55 -8.874 9.281 7.428 1.00 0.00 H new ATOM 0 HG1 THR A 55 -9.675 11.121 6.252 1.00 0.00 H new ATOM 0 HG21 THR A 55 -7.613 10.307 5.492 1.00 0.00 H new ATOM 0 HG22 THR A 55 -7.360 8.546 5.550 1.00 0.00 H new ATOM 0 HG23 THR A 55 -8.501 9.244 4.375 1.00 0.00 H new ATOM 951 N ALA A 56 -8.463 5.852 5.859 1.00 0.00 N ATOM 952 CA ALA A 56 -7.360 4.933 6.147 1.00 0.00 C ATOM 953 C ALA A 56 -6.004 5.567 5.783 1.00 0.00 C ATOM 954 O ALA A 56 -5.919 6.452 4.933 1.00 0.00 O ATOM 955 CB ALA A 56 -7.576 3.591 5.432 1.00 0.00 C ATOM 0 H ALA A 56 -8.839 5.749 4.917 1.00 0.00 H new ATOM 0 HA ALA A 56 -7.344 4.736 7.219 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -6.746 2.921 5.658 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -8.508 3.142 5.774 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -7.627 3.756 4.356 1.00 0.00 H new ATOM 961 N TYR A 57 -4.933 5.088 6.405 1.00 0.00 N ATOM 962 CA TYR A 57 -3.559 5.500 6.140 1.00 0.00 C ATOM 963 C TYR A 57 -2.694 4.241 6.029 1.00 0.00 C ATOM 964 O TYR A 57 -2.581 3.464 6.980 1.00 0.00 O ATOM 965 CB TYR A 57 -3.064 6.451 7.244 1.00 0.00 C ATOM 966 CG TYR A 57 -3.840 7.754 7.368 1.00 0.00 C ATOM 967 CD1 TYR A 57 -3.364 8.926 6.747 1.00 0.00 C ATOM 968 CD2 TYR A 57 -5.042 7.797 8.104 1.00 0.00 C ATOM 969 CE1 TYR A 57 -4.087 10.131 6.854 1.00 0.00 C ATOM 970 CE2 TYR A 57 -5.788 8.986 8.176 1.00 0.00 C ATOM 971 CZ TYR A 57 -5.306 10.163 7.566 1.00 0.00 C ATOM 972 OH TYR A 57 -6.016 11.320 7.682 1.00 0.00 O ATOM 0 H TYR A 57 -4.999 4.377 7.133 1.00 0.00 H new ATOM 0 HA TYR A 57 -3.496 6.052 5.202 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -3.107 5.928 8.199 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -2.016 6.686 7.057 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -2.441 8.901 6.187 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -5.391 6.912 8.615 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -3.709 11.030 6.391 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -6.733 8.999 8.700 1.00 0.00 H new ATOM 0 HH TYR A 57 -6.828 11.154 8.204 1.00 0.00 H new ATOM 982 N ILE A 58 -2.088 4.030 4.860 1.00 0.00 N ATOM 983 CA ILE A 58 -1.090 2.976 4.653 1.00 0.00 C ATOM 984 C ILE A 58 0.255 3.542 5.100 1.00 0.00 C ATOM 985 O ILE A 58 0.867 4.309 4.357 1.00 0.00 O ATOM 986 CB ILE A 58 -1.020 2.514 3.178 1.00 0.00 C ATOM 987 CG1 ILE A 58 -2.377 2.289 2.484 1.00 0.00 C ATOM 988 CG2 ILE A 58 -0.138 1.259 3.104 1.00 0.00 C ATOM 989 CD1 ILE A 58 -3.248 1.187 3.082 1.00 0.00 C ATOM 0 H ILE A 58 -2.275 4.587 4.026 1.00 0.00 H new ATOM 0 HA ILE A 58 -1.364 2.094 5.232 1.00 0.00 H new ATOM 0 HB ILE A 58 -0.584 3.338 2.614 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -2.937 3.224 2.509 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -2.194 2.054 1.435 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -0.077 0.918 2.071 1.00 0.00 H new ATOM 0 HG22 ILE A 58 0.862 1.495 3.468 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -0.572 0.472 3.721 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -4.178 1.113 2.519 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -2.717 0.236 3.032 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -3.471 1.424 4.122 1.00 0.00 H new ATOM 1001 N LYS A 59 0.711 3.203 6.307 1.00 0.00 N ATOM 1002 CA LYS A 59 2.052 3.556 6.794 1.00 0.00 C ATOM 1003 C LYS A 59 3.000 2.367 6.628 1.00 0.00 C ATOM 1004 O LYS A 59 2.593 1.204 6.704 1.00 0.00 O ATOM 1005 CB LYS A 59 2.002 4.076 8.242 1.00 0.00 C ATOM 1006 CG LYS A 59 1.004 5.235 8.435 1.00 0.00 C ATOM 1007 CD LYS A 59 1.117 5.897 9.818 1.00 0.00 C ATOM 1008 CE LYS A 59 0.804 4.920 10.956 1.00 0.00 C ATOM 1009 NZ LYS A 59 1.048 5.543 12.280 1.00 0.00 N ATOM 0 H LYS A 59 0.159 2.672 6.981 1.00 0.00 H new ATOM 0 HA LYS A 59 2.444 4.375 6.191 1.00 0.00 H new ATOM 0 HB2 LYS A 59 1.730 3.256 8.907 1.00 0.00 H new ATOM 0 HB3 LYS A 59 2.997 4.409 8.537 1.00 0.00 H new ATOM 0 HG2 LYS A 59 1.173 5.986 7.663 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -0.011 4.861 8.299 1.00 0.00 H new ATOM 0 HD2 LYS A 59 2.124 6.293 9.948 1.00 0.00 H new ATOM 0 HD3 LYS A 59 0.433 6.744 9.870 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -0.236 4.599 10.888 1.00 0.00 H new ATOM 0 HE3 LYS A 59 1.420 4.027 10.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 0.627 4.952 13.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 2.072 5.625 12.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 0.617 6.489 12.303 1.00 0.00 H new ATOM 1023 N LEU A 60 4.273 2.662 6.393 1.00 0.00 N ATOM 1024 CA LEU A 60 5.333 1.671 6.210 1.00 0.00 C ATOM 1025 C LEU A 60 6.470 1.963 7.194 1.00 0.00 C ATOM 1026 O LEU A 60 6.919 3.105 7.305 1.00 0.00 O ATOM 1027 CB LEU A 60 5.800 1.709 4.745 1.00 0.00 C ATOM 1028 CG LEU A 60 4.747 1.247 3.719 1.00 0.00 C ATOM 1029 CD1 LEU A 60 5.264 1.506 2.307 1.00 0.00 C ATOM 1030 CD2 LEU A 60 4.444 -0.247 3.842 1.00 0.00 C ATOM 0 H LEU A 60 4.608 3.623 6.322 1.00 0.00 H new ATOM 0 HA LEU A 60 4.971 0.664 6.419 1.00 0.00 H new ATOM 0 HB2 LEU A 60 6.102 2.727 4.501 1.00 0.00 H new ATOM 0 HB3 LEU A 60 6.685 1.081 4.644 1.00 0.00 H new ATOM 0 HG LEU A 60 3.834 1.809 3.917 1.00 0.00 H new ATOM 0 HD11 LEU A 60 4.519 1.179 1.581 1.00 0.00 H new ATOM 0 HD12 LEU A 60 5.453 2.572 2.178 1.00 0.00 H new ATOM 0 HD13 LEU A 60 6.190 0.952 2.151 1.00 0.00 H new ATOM 0 HD21 LEU A 60 3.697 -0.529 3.100 1.00 0.00 H new ATOM 0 HD22 LEU A 60 5.357 -0.818 3.673 1.00 0.00 H new ATOM 0 HD23 LEU A 60 4.062 -0.460 4.840 1.00 0.00 H new ATOM 1042 N GLU A 61 6.909 0.946 7.931 1.00 0.00 N ATOM 1043 CA GLU A 61 7.756 1.081 9.122 1.00 0.00 C ATOM 1044 C GLU A 61 9.025 0.219 9.033 1.00 0.00 C ATOM 1045 O GLU A 61 9.011 -0.885 8.484 1.00 0.00 O ATOM 1046 CB GLU A 61 6.955 0.706 10.381 1.00 0.00 C ATOM 1047 CG GLU A 61 5.726 1.599 10.618 1.00 0.00 C ATOM 1048 CD GLU A 61 5.036 1.301 11.962 1.00 0.00 C ATOM 1049 OE1 GLU A 61 4.482 2.234 12.584 1.00 0.00 O ATOM 1050 OE2 GLU A 61 5.016 0.126 12.410 1.00 0.00 O ATOM 0 H GLU A 61 6.681 -0.024 7.713 1.00 0.00 H new ATOM 0 HA GLU A 61 8.072 2.123 9.181 1.00 0.00 H new ATOM 0 HB2 GLU A 61 6.630 -0.331 10.299 1.00 0.00 H new ATOM 0 HB3 GLU A 61 7.610 0.766 11.250 1.00 0.00 H new ATOM 0 HG2 GLU A 61 6.030 2.645 10.593 1.00 0.00 H new ATOM 0 HG3 GLU A 61 5.013 1.454 9.806 1.00 0.00 H new ATOM 1057 N ASP A 62 10.134 0.693 9.599 1.00 0.00 N ATOM 1058 CA ASP A 62 11.387 -0.044 9.676 1.00 0.00 C ATOM 1059 C ASP A 62 11.276 -1.195 10.692 1.00 0.00 C ATOM 1060 O ASP A 62 10.767 -1.026 11.803 1.00 0.00 O ATOM 1061 CB ASP A 62 12.503 0.948 10.019 1.00 0.00 C ATOM 1062 CG ASP A 62 13.808 0.223 10.342 1.00 0.00 C ATOM 1063 OD1 ASP A 62 14.578 -0.103 9.410 1.00 0.00 O ATOM 1064 OD2 ASP A 62 14.016 -0.063 11.543 1.00 0.00 O ATOM 0 H ASP A 62 10.184 1.619 10.024 1.00 0.00 H new ATOM 0 HA ASP A 62 11.622 -0.511 8.720 1.00 0.00 H new ATOM 0 HB2 ASP A 62 12.659 1.627 9.181 1.00 0.00 H new ATOM 0 HB3 ASP A 62 12.202 1.557 10.871 1.00 0.00 H new ATOM 1069 N LYS A 63 11.781 -2.375 10.317 1.00 0.00 N ATOM 1070 CA LYS A 63 11.637 -3.629 11.080 1.00 0.00 C ATOM 1071 C LYS A 63 12.433 -3.647 12.402 1.00 0.00 C ATOM 1072 O LYS A 63 12.216 -4.522 13.241 1.00 0.00 O ATOM 1073 CB LYS A 63 12.014 -4.790 10.137 1.00 0.00 C ATOM 1074 CG LYS A 63 11.508 -6.167 10.599 1.00 0.00 C ATOM 1075 CD LYS A 63 11.899 -7.295 9.630 1.00 0.00 C ATOM 1076 CE LYS A 63 11.162 -7.230 8.287 1.00 0.00 C ATOM 1077 NZ LYS A 63 11.575 -8.353 7.409 1.00 0.00 N ATOM 0 H LYS A 63 12.314 -2.492 9.455 1.00 0.00 H new ATOM 0 HA LYS A 63 10.603 -3.733 11.408 1.00 0.00 H new ATOM 0 HB2 LYS A 63 11.613 -4.582 9.145 1.00 0.00 H new ATOM 0 HB3 LYS A 63 13.099 -4.828 10.041 1.00 0.00 H new ATOM 0 HG2 LYS A 63 11.912 -6.386 11.588 1.00 0.00 H new ATOM 0 HG3 LYS A 63 10.423 -6.137 10.697 1.00 0.00 H new ATOM 0 HD2 LYS A 63 12.973 -7.252 9.449 1.00 0.00 H new ATOM 0 HD3 LYS A 63 11.694 -8.256 10.102 1.00 0.00 H new ATOM 0 HE2 LYS A 63 10.086 -7.269 8.455 1.00 0.00 H new ATOM 0 HE3 LYS A 63 11.374 -6.280 7.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 10.960 -8.383 6.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 12.562 -8.215 7.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 11.493 -9.249 7.930 1.00 0.00 H new ATOM 1091 N VAL A 64 13.335 -2.684 12.605 1.00 0.00 N ATOM 1092 CA VAL A 64 14.273 -2.601 13.738 1.00 0.00 C ATOM 1093 C VAL A 64 13.846 -1.529 14.739 1.00 0.00 C ATOM 1094 O VAL A 64 14.070 -1.686 15.941 1.00 0.00 O ATOM 1095 CB VAL A 64 15.711 -2.311 13.243 1.00 0.00 C ATOM 1096 CG1 VAL A 64 16.746 -2.747 14.286 1.00 0.00 C ATOM 1097 CG2 VAL A 64 16.053 -3.007 11.916 1.00 0.00 C ATOM 0 H VAL A 64 13.440 -1.903 11.957 1.00 0.00 H new ATOM 0 HA VAL A 64 14.258 -3.568 14.241 1.00 0.00 H new ATOM 0 HB VAL A 64 15.747 -1.233 13.084 1.00 0.00 H new ATOM 0 HG11 VAL A 64 17.748 -2.533 13.915 1.00 0.00 H new ATOM 0 HG12 VAL A 64 16.579 -2.202 15.215 1.00 0.00 H new ATOM 0 HG13 VAL A 64 16.648 -3.817 14.471 1.00 0.00 H new ATOM 0 HG21 VAL A 64 17.075 -2.760 11.629 1.00 0.00 H new ATOM 0 HG22 VAL A 64 15.961 -4.086 12.037 1.00 0.00 H new ATOM 0 HG23 VAL A 64 15.366 -2.669 11.140 1.00 0.00 H new ATOM 1107 N SER A 65 13.217 -0.454 14.255 1.00 0.00 N ATOM 1108 CA SER A 65 12.963 0.763 15.035 1.00 0.00 C ATOM 1109 C SER A 65 11.514 1.262 14.997 1.00 0.00 C ATOM 1110 O SER A 65 11.133 2.108 15.810 1.00 0.00 O ATOM 1111 CB SER A 65 13.891 1.875 14.532 1.00 0.00 C ATOM 1112 OG SER A 65 13.647 2.136 13.159 1.00 0.00 O ATOM 0 H SER A 65 12.865 -0.403 13.299 1.00 0.00 H new ATOM 0 HA SER A 65 13.159 0.502 16.075 1.00 0.00 H new ATOM 0 HB2 SER A 65 13.733 2.782 15.115 1.00 0.00 H new ATOM 0 HB3 SER A 65 14.931 1.582 14.674 1.00 0.00 H new ATOM 0 HG SER A 65 13.932 1.366 12.624 1.00 0.00 H new ATOM 1118 N GLY A 66 10.701 0.771 14.057 1.00 0.00 N ATOM 1119 CA GLY A 66 9.371 1.304 13.761 1.00 0.00 C ATOM 1120 C GLY A 66 9.378 2.667 13.053 1.00 0.00 C ATOM 1121 O GLY A 66 8.322 3.289 12.935 1.00 0.00 O ATOM 0 H GLY A 66 10.955 -0.023 13.470 1.00 0.00 H new ATOM 0 HA2 GLY A 66 8.836 0.587 13.138 1.00 0.00 H new ATOM 0 HA3 GLY A 66 8.813 1.395 14.693 1.00 0.00 H new ATOM 1125 N GLU A 67 10.537 3.155 12.592 1.00 0.00 N ATOM 1126 CA GLU A 67 10.655 4.473 11.946 1.00 0.00 C ATOM 1127 C GLU A 67 9.946 4.514 10.587 1.00 0.00 C ATOM 1128 O GLU A 67 9.951 3.535 9.840 1.00 0.00 O ATOM 1129 CB GLU A 67 12.126 4.886 11.787 1.00 0.00 C ATOM 1130 CG GLU A 67 12.754 5.344 13.108 1.00 0.00 C ATOM 1131 CD GLU A 67 12.351 6.789 13.468 1.00 0.00 C ATOM 1132 OE1 GLU A 67 11.284 6.992 14.095 1.00 0.00 O ATOM 1133 OE2 GLU A 67 13.101 7.736 13.125 1.00 0.00 O ATOM 0 H GLU A 67 11.420 2.649 12.655 1.00 0.00 H new ATOM 0 HA GLU A 67 10.160 5.188 12.603 1.00 0.00 H new ATOM 0 HB2 GLU A 67 12.695 4.045 11.390 1.00 0.00 H new ATOM 0 HB3 GLU A 67 12.197 5.692 11.056 1.00 0.00 H new ATOM 0 HG2 GLU A 67 12.446 4.671 13.908 1.00 0.00 H new ATOM 0 HG3 GLU A 67 13.840 5.277 13.036 1.00 0.00 H new ATOM 1140 N LEU A 68 9.338 5.656 10.259 1.00 0.00 N ATOM 1141 CA LEU A 68 8.494 5.798 9.066 1.00 0.00 C ATOM 1142 C LEU A 68 9.330 5.861 7.773 1.00 0.00 C ATOM 1143 O LEU A 68 10.192 6.729 7.616 1.00 0.00 O ATOM 1144 CB LEU A 68 7.582 7.032 9.221 1.00 0.00 C ATOM 1145 CG LEU A 68 6.469 7.110 8.154 1.00 0.00 C ATOM 1146 CD1 LEU A 68 5.336 6.125 8.442 1.00 0.00 C ATOM 1147 CD2 LEU A 68 5.857 8.508 8.108 1.00 0.00 C ATOM 0 H LEU A 68 9.416 6.510 10.812 1.00 0.00 H new ATOM 0 HA LEU A 68 7.867 4.911 8.978 1.00 0.00 H new ATOM 0 HB2 LEU A 68 7.126 7.015 10.211 1.00 0.00 H new ATOM 0 HB3 LEU A 68 8.191 7.934 9.166 1.00 0.00 H new ATOM 0 HG LEU A 68 6.940 6.863 7.203 1.00 0.00 H new ATOM 0 HD11 LEU A 68 4.573 6.211 7.668 1.00 0.00 H new ATOM 0 HD12 LEU A 68 5.731 5.109 8.451 1.00 0.00 H new ATOM 0 HD13 LEU A 68 4.895 6.351 9.413 1.00 0.00 H new ATOM 0 HD21 LEU A 68 5.075 8.538 7.349 1.00 0.00 H new ATOM 0 HD22 LEU A 68 5.428 8.750 9.080 1.00 0.00 H new ATOM 0 HD23 LEU A 68 6.630 9.236 7.862 1.00 0.00 H new ATOM 1159 N PHE A 69 9.022 4.977 6.823 1.00 0.00 N ATOM 1160 CA PHE A 69 9.528 5.006 5.447 1.00 0.00 C ATOM 1161 C PHE A 69 8.658 5.901 4.548 1.00 0.00 C ATOM 1162 O PHE A 69 9.169 6.825 3.911 1.00 0.00 O ATOM 1163 CB PHE A 69 9.612 3.565 4.926 1.00 0.00 C ATOM 1164 CG PHE A 69 9.807 3.445 3.427 1.00 0.00 C ATOM 1165 CD1 PHE A 69 8.878 2.721 2.659 1.00 0.00 C ATOM 1166 CD2 PHE A 69 10.897 4.068 2.789 1.00 0.00 C ATOM 1167 CE1 PHE A 69 9.030 2.622 1.268 1.00 0.00 C ATOM 1168 CE2 PHE A 69 11.042 3.979 1.393 1.00 0.00 C ATOM 1169 CZ PHE A 69 10.106 3.258 0.627 1.00 0.00 C ATOM 0 H PHE A 69 8.392 4.194 6.995 1.00 0.00 H new ATOM 0 HA PHE A 69 10.525 5.445 5.430 1.00 0.00 H new ATOM 0 HB2 PHE A 69 10.437 3.059 5.428 1.00 0.00 H new ATOM 0 HB3 PHE A 69 8.699 3.039 5.203 1.00 0.00 H new ATOM 0 HD1 PHE A 69 8.042 2.238 3.143 1.00 0.00 H new ATOM 0 HD2 PHE A 69 11.623 4.615 3.373 1.00 0.00 H new ATOM 0 HE1 PHE A 69 8.317 2.055 0.688 1.00 0.00 H new ATOM 0 HE2 PHE A 69 11.874 4.466 0.907 1.00 0.00 H new ATOM 0 HZ PHE A 69 10.215 3.194 -0.446 1.00 0.00 H new ATOM 1179 N ALA A 70 7.344 5.654 4.527 1.00 0.00 N ATOM 1180 CA ALA A 70 6.357 6.426 3.770 1.00 0.00 C ATOM 1181 C ALA A 70 4.949 6.300 4.377 1.00 0.00 C ATOM 1182 O ALA A 70 4.677 5.376 5.151 1.00 0.00 O ATOM 1183 CB ALA A 70 6.345 5.935 2.313 1.00 0.00 C ATOM 0 H ALA A 70 6.926 4.887 5.054 1.00 0.00 H new ATOM 0 HA ALA A 70 6.639 7.478 3.811 1.00 0.00 H new ATOM 0 HB1 ALA A 70 5.612 6.506 1.743 1.00 0.00 H new ATOM 0 HB2 ALA A 70 7.333 6.073 1.874 1.00 0.00 H new ATOM 0 HB3 ALA A 70 6.081 4.878 2.288 1.00 0.00 H new ATOM 1189 N GLN A 71 4.041 7.197 3.974 1.00 0.00 N ATOM 1190 CA GLN A 71 2.602 7.070 4.224 1.00 0.00 C ATOM 1191 C GLN A 71 1.754 7.466 3.003 1.00 0.00 C ATOM 1192 O GLN A 71 2.084 8.423 2.298 1.00 0.00 O ATOM 1193 CB GLN A 71 2.186 7.829 5.499 1.00 0.00 C ATOM 1194 CG GLN A 71 2.400 9.352 5.444 1.00 0.00 C ATOM 1195 CD GLN A 71 1.823 10.040 6.679 1.00 0.00 C ATOM 1196 OE1 GLN A 71 0.694 10.513 6.688 1.00 0.00 O ATOM 1197 NE2 GLN A 71 2.554 10.115 7.773 1.00 0.00 N ATOM 0 H GLN A 71 4.289 8.042 3.459 1.00 0.00 H new ATOM 0 HA GLN A 71 2.399 6.013 4.397 1.00 0.00 H new ATOM 0 HB2 GLN A 71 1.132 7.631 5.695 1.00 0.00 H new ATOM 0 HB3 GLN A 71 2.747 7.428 6.343 1.00 0.00 H new ATOM 0 HG2 GLN A 71 3.466 9.569 5.369 1.00 0.00 H new ATOM 0 HG3 GLN A 71 1.929 9.755 4.547 1.00 0.00 H new ATOM 0 HE21 GLN A 71 3.497 9.726 7.784 1.00 0.00 H new ATOM 0 HE22 GLN A 71 2.177 10.562 8.609 1.00 0.00 H new ATOM 1206 N ALA A 72 0.646 6.751 2.775 1.00 0.00 N ATOM 1207 CA ALA A 72 -0.369 7.055 1.761 1.00 0.00 C ATOM 1208 C ALA A 72 -1.766 7.221 2.406 1.00 0.00 C ATOM 1209 O ALA A 72 -2.266 6.257 2.997 1.00 0.00 O ATOM 1210 CB ALA A 72 -0.406 5.931 0.718 1.00 0.00 C ATOM 0 H ALA A 72 0.424 5.913 3.313 1.00 0.00 H new ATOM 0 HA ALA A 72 -0.104 7.995 1.278 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -1.161 6.158 -0.035 1.00 0.00 H new ATOM 0 HB2 ALA A 72 0.570 5.846 0.240 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -0.653 4.989 1.207 1.00 0.00 H new ATOM 1216 N PRO A 73 -2.427 8.392 2.299 1.00 0.00 N ATOM 1217 CA PRO A 73 -3.792 8.591 2.787 1.00 0.00 C ATOM 1218 C PRO A 73 -4.831 8.059 1.782 1.00 0.00 C ATOM 1219 O PRO A 73 -4.833 8.450 0.613 1.00 0.00 O ATOM 1220 CB PRO A 73 -3.911 10.102 3.003 1.00 0.00 C ATOM 1221 CG PRO A 73 -2.985 10.692 1.936 1.00 0.00 C ATOM 1222 CD PRO A 73 -1.878 9.646 1.796 1.00 0.00 C ATOM 0 HA PRO A 73 -3.989 8.041 3.707 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -4.938 10.445 2.877 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -3.600 10.389 4.007 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -3.509 10.848 0.993 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -2.586 11.659 2.243 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -1.569 9.545 0.756 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -0.994 9.938 2.364 1.00 0.00 H new ATOM 1230 N VAL A 74 -5.739 7.191 2.237 1.00 0.00 N ATOM 1231 CA VAL A 74 -6.805 6.549 1.444 1.00 0.00 C ATOM 1232 C VAL A 74 -8.178 6.985 1.974 1.00 0.00 C ATOM 1233 O VAL A 74 -8.499 6.769 3.140 1.00 0.00 O ATOM 1234 CB VAL A 74 -6.681 5.005 1.476 1.00 0.00 C ATOM 1235 CG1 VAL A 74 -7.759 4.340 0.615 1.00 0.00 C ATOM 1236 CG2 VAL A 74 -5.313 4.454 1.056 1.00 0.00 C ATOM 0 H VAL A 74 -5.756 6.899 3.214 1.00 0.00 H new ATOM 0 HA VAL A 74 -6.699 6.868 0.407 1.00 0.00 H new ATOM 0 HB VAL A 74 -6.814 4.756 2.529 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -7.643 3.257 0.660 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -8.745 4.615 0.989 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -7.657 4.674 -0.418 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -5.327 3.365 1.111 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -5.095 4.763 0.034 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -4.544 4.842 1.724 1.00 0.00 H new ATOM 1246 N GLU A 75 -9.024 7.547 1.107 1.00 0.00 N ATOM 1247 CA GLU A 75 -10.395 7.985 1.439 1.00 0.00 C ATOM 1248 C GLU A 75 -11.479 7.162 0.720 1.00 0.00 C ATOM 1249 O GLU A 75 -12.672 7.380 0.940 1.00 0.00 O ATOM 1250 CB GLU A 75 -10.551 9.483 1.110 1.00 0.00 C ATOM 1251 CG GLU A 75 -9.730 10.391 2.032 1.00 0.00 C ATOM 1252 CD GLU A 75 -9.900 11.871 1.635 1.00 0.00 C ATOM 1253 OE1 GLU A 75 -10.934 12.488 1.992 1.00 0.00 O ATOM 1254 OE2 GLU A 75 -9.002 12.431 0.960 1.00 0.00 O ATOM 0 H GLU A 75 -8.776 7.717 0.132 1.00 0.00 H new ATOM 0 HA GLU A 75 -10.540 7.819 2.507 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -10.248 9.655 0.077 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -11.603 9.757 1.184 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -10.046 10.248 3.066 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -8.677 10.114 1.979 1.00 0.00 H new ATOM 1261 N GLN A 76 -11.076 6.228 -0.145 1.00 0.00 N ATOM 1262 CA GLN A 76 -11.944 5.350 -0.920 1.00 0.00 C ATOM 1263 C GLN A 76 -11.184 4.091 -1.368 1.00 0.00 C ATOM 1264 O GLN A 76 -10.013 4.177 -1.749 1.00 0.00 O ATOM 1265 CB GLN A 76 -12.539 6.116 -2.123 1.00 0.00 C ATOM 1266 CG GLN A 76 -11.601 6.449 -3.302 1.00 0.00 C ATOM 1267 CD GLN A 76 -10.422 7.360 -2.959 1.00 0.00 C ATOM 1268 OE1 GLN A 76 -10.500 8.578 -3.022 1.00 0.00 O ATOM 1269 NE2 GLN A 76 -9.278 6.810 -2.602 1.00 0.00 N ATOM 0 H GLN A 76 -10.087 6.059 -0.330 1.00 0.00 H new ATOM 0 HA GLN A 76 -12.770 5.023 -0.289 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -13.372 5.531 -2.513 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -12.954 7.053 -1.751 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -11.212 5.516 -3.710 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -12.188 6.922 -4.090 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -9.196 5.795 -2.544 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -8.475 7.400 -2.383 1.00 0.00 H new ATOM 1278 N TYR A 77 -11.859 2.942 -1.371 1.00 0.00 N ATOM 1279 CA TYR A 77 -11.333 1.672 -1.885 1.00 0.00 C ATOM 1280 C TYR A 77 -12.337 0.997 -2.844 1.00 0.00 C ATOM 1281 O TYR A 77 -13.492 0.807 -2.439 1.00 0.00 O ATOM 1282 CB TYR A 77 -10.942 0.758 -0.701 1.00 0.00 C ATOM 1283 CG TYR A 77 -9.999 -0.399 -1.007 1.00 0.00 C ATOM 1284 CD1 TYR A 77 -8.915 -0.193 -1.874 1.00 0.00 C ATOM 1285 CD2 TYR A 77 -10.107 -1.635 -0.338 1.00 0.00 C ATOM 1286 CE1 TYR A 77 -7.936 -1.177 -2.073 1.00 0.00 C ATOM 1287 CE2 TYR A 77 -9.152 -2.648 -0.566 1.00 0.00 C ATOM 1288 CZ TYR A 77 -8.055 -2.421 -1.424 1.00 0.00 C ATOM 1289 OH TYR A 77 -7.106 -3.379 -1.594 1.00 0.00 O ATOM 0 H TYR A 77 -12.809 2.864 -1.008 1.00 0.00 H new ATOM 0 HA TYR A 77 -10.436 1.866 -2.473 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -10.481 1.377 0.068 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -11.856 0.347 -0.273 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -8.833 0.746 -2.401 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -10.922 -1.807 0.350 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -7.094 -0.982 -2.721 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -9.262 -3.606 -0.079 1.00 0.00 H new ATOM 0 HH TYR A 77 -6.239 -2.954 -1.760 1.00 0.00 H new ATOM 1299 N PRO A 78 -11.953 0.637 -4.089 1.00 0.00 N ATOM 1300 CA PRO A 78 -10.700 0.984 -4.782 1.00 0.00 C ATOM 1301 C PRO A 78 -10.556 2.498 -5.052 1.00 0.00 C ATOM 1302 O PRO A 78 -11.545 3.233 -5.055 1.00 0.00 O ATOM 1303 CB PRO A 78 -10.731 0.185 -6.091 1.00 0.00 C ATOM 1304 CG PRO A 78 -12.222 0.084 -6.399 1.00 0.00 C ATOM 1305 CD PRO A 78 -12.838 -0.069 -5.008 1.00 0.00 C ATOM 0 HA PRO A 78 -9.838 0.736 -4.163 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -10.188 0.695 -6.887 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -10.276 -0.799 -5.974 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -12.592 0.972 -6.911 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -12.447 -0.769 -7.039 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -13.843 0.351 -4.980 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -12.924 -1.121 -4.734 1.00 0.00 H new ATOM 1313 N GLY A 79 -9.326 2.966 -5.289 1.00 0.00 N ATOM 1314 CA GLY A 79 -9.027 4.366 -5.625 1.00 0.00 C ATOM 1315 C GLY A 79 -7.632 4.579 -6.226 1.00 0.00 C ATOM 1316 O GLY A 79 -7.022 3.648 -6.750 1.00 0.00 O ATOM 0 H GLY A 79 -8.496 2.375 -5.253 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -9.775 4.727 -6.331 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -9.120 4.973 -4.724 1.00 0.00 H new ATOM 1320 N ILE A 80 -7.109 5.809 -6.136 1.00 0.00 N ATOM 1321 CA ILE A 80 -5.738 6.157 -6.561 1.00 0.00 C ATOM 1322 C ILE A 80 -4.713 5.908 -5.446 1.00 0.00 C ATOM 1323 O ILE A 80 -3.547 5.625 -5.723 1.00 0.00 O ATOM 1324 CB ILE A 80 -5.695 7.615 -7.088 1.00 0.00 C ATOM 1325 CG1 ILE A 80 -4.347 8.031 -7.719 1.00 0.00 C ATOM 1326 CG2 ILE A 80 -6.018 8.650 -5.993 1.00 0.00 C ATOM 1327 CD1 ILE A 80 -3.879 7.137 -8.871 1.00 0.00 C ATOM 0 H ILE A 80 -7.629 6.603 -5.762 1.00 0.00 H new ATOM 0 HA ILE A 80 -5.455 5.497 -7.381 1.00 0.00 H new ATOM 0 HB ILE A 80 -6.461 7.614 -7.863 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -4.432 9.055 -8.083 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -3.582 8.031 -6.943 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -5.974 9.653 -6.416 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -7.018 8.465 -5.601 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -5.291 8.565 -5.186 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -2.926 7.504 -9.252 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -3.757 6.115 -8.512 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -4.620 7.155 -9.670 1.00 0.00 H new ATOM 1339 N ALA A 81 -5.140 5.984 -4.180 1.00 0.00 N ATOM 1340 CA ALA A 81 -4.245 5.828 -3.042 1.00 0.00 C ATOM 1341 C ALA A 81 -3.911 4.370 -2.720 1.00 0.00 C ATOM 1342 O ALA A 81 -2.877 4.120 -2.113 1.00 0.00 O ATOM 1343 CB ALA A 81 -4.810 6.559 -1.833 1.00 0.00 C ATOM 0 H ALA A 81 -6.112 6.155 -3.923 1.00 0.00 H new ATOM 0 HA ALA A 81 -3.293 6.281 -3.319 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -4.135 6.437 -0.986 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -4.914 7.619 -2.065 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -5.786 6.145 -1.581 1.00 0.00 H new ATOM 1349 N VAL A 82 -4.751 3.422 -3.140 1.00 0.00 N ATOM 1350 CA VAL A 82 -4.485 1.976 -3.123 1.00 0.00 C ATOM 1351 C VAL A 82 -5.184 1.283 -4.314 1.00 0.00 C ATOM 1352 O VAL A 82 -6.369 1.503 -4.574 1.00 0.00 O ATOM 1353 CB VAL A 82 -4.893 1.386 -1.766 1.00 0.00 C ATOM 1354 CG1 VAL A 82 -6.325 1.731 -1.385 1.00 0.00 C ATOM 1355 CG2 VAL A 82 -4.554 -0.100 -1.683 1.00 0.00 C ATOM 0 H VAL A 82 -5.672 3.646 -3.517 1.00 0.00 H new ATOM 0 HA VAL A 82 -3.417 1.797 -3.244 1.00 0.00 H new ATOM 0 HB VAL A 82 -4.290 1.868 -0.996 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -6.561 1.289 -0.417 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -6.435 2.814 -1.326 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -7.007 1.338 -2.139 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -4.855 -0.488 -0.710 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -5.084 -0.639 -2.469 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -3.480 -0.236 -1.811 1.00 0.00 H new ATOM 1365 N GLU A 83 -4.457 0.438 -5.045 1.00 0.00 N ATOM 1366 CA GLU A 83 -4.938 -0.319 -6.216 1.00 0.00 C ATOM 1367 C GLU A 83 -4.274 -1.702 -6.330 1.00 0.00 C ATOM 1368 O GLU A 83 -3.138 -1.883 -5.892 1.00 0.00 O ATOM 1369 CB GLU A 83 -4.682 0.504 -7.499 1.00 0.00 C ATOM 1370 CG GLU A 83 -5.946 0.735 -8.334 1.00 0.00 C ATOM 1371 CD GLU A 83 -6.413 -0.545 -9.051 1.00 0.00 C ATOM 1372 OE1 GLU A 83 -6.130 -0.699 -10.263 1.00 0.00 O ATOM 1373 OE2 GLU A 83 -7.055 -1.401 -8.398 1.00 0.00 O ATOM 0 H GLU A 83 -3.477 0.250 -4.835 1.00 0.00 H new ATOM 0 HA GLU A 83 -6.007 -0.489 -6.088 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -4.255 1.469 -7.224 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -3.940 -0.010 -8.110 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -6.745 1.099 -7.688 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -5.754 1.513 -9.073 1.00 0.00 H new ATOM 1380 N THR A 84 -4.935 -2.672 -6.969 1.00 0.00 N ATOM 1381 CA THR A 84 -4.387 -4.013 -7.229 1.00 0.00 C ATOM 1382 C THR A 84 -4.004 -4.110 -8.695 1.00 0.00 C ATOM 1383 O THR A 84 -4.745 -4.616 -9.532 1.00 0.00 O ATOM 1384 CB THR A 84 -5.341 -5.150 -6.852 1.00 0.00 C ATOM 1385 OG1 THR A 84 -6.043 -4.885 -5.652 1.00 0.00 O ATOM 1386 CG2 THR A 84 -4.569 -6.452 -6.692 1.00 0.00 C ATOM 0 H THR A 84 -5.882 -2.549 -7.327 1.00 0.00 H new ATOM 0 HA THR A 84 -3.512 -4.136 -6.590 1.00 0.00 H new ATOM 0 HB THR A 84 -6.067 -5.235 -7.661 1.00 0.00 H new ATOM 0 HG1 THR A 84 -5.417 -4.896 -4.898 1.00 0.00 H new ATOM 0 HG21 THR A 84 -5.258 -7.253 -6.424 1.00 0.00 H new ATOM 0 HG22 THR A 84 -4.073 -6.699 -7.631 1.00 0.00 H new ATOM 0 HG23 THR A 84 -3.822 -6.338 -5.906 1.00 0.00 H new ATOM 1394 N VAL A 85 -2.802 -3.604 -8.959 1.00 0.00 N ATOM 1395 CA VAL A 85 -1.903 -3.900 -10.091 1.00 0.00 C ATOM 1396 C VAL A 85 -2.575 -4.203 -11.437 1.00 0.00 C ATOM 1397 O VAL A 85 -2.603 -3.338 -12.315 1.00 0.00 O ATOM 1398 CB VAL A 85 -0.869 -4.974 -9.696 1.00 0.00 C ATOM 1399 CG1 VAL A 85 0.267 -4.290 -8.938 1.00 0.00 C ATOM 1400 CG2 VAL A 85 -1.414 -6.103 -8.811 1.00 0.00 C ATOM 0 H VAL A 85 -2.387 -2.913 -8.334 1.00 0.00 H new ATOM 0 HA VAL A 85 -1.391 -2.958 -10.290 1.00 0.00 H new ATOM 0 HB VAL A 85 -0.548 -5.440 -10.628 1.00 0.00 H new ATOM 0 HG11 VAL A 85 1.010 -5.033 -8.649 1.00 0.00 H new ATOM 0 HG12 VAL A 85 0.733 -3.541 -9.578 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -0.130 -3.808 -8.045 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -0.614 -6.808 -8.587 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -1.799 -5.683 -7.882 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -2.217 -6.621 -9.335 1.00 0.00 H new ATOM 1410 N THR A 86 -3.102 -5.416 -11.593 1.00 0.00 N ATOM 1411 CA THR A 86 -4.149 -5.752 -12.569 1.00 0.00 C ATOM 1412 C THR A 86 -5.240 -6.625 -11.971 1.00 0.00 C ATOM 1413 O THR A 86 -6.426 -6.309 -12.082 1.00 0.00 O ATOM 1414 CB THR A 86 -3.612 -6.512 -13.784 1.00 0.00 C ATOM 1415 OG1 THR A 86 -2.698 -7.507 -13.391 1.00 0.00 O ATOM 1416 CG2 THR A 86 -2.897 -5.572 -14.729 1.00 0.00 C ATOM 0 H THR A 86 -2.809 -6.216 -11.032 1.00 0.00 H new ATOM 0 HA THR A 86 -4.546 -4.783 -12.872 1.00 0.00 H new ATOM 0 HB THR A 86 -4.468 -6.968 -14.282 1.00 0.00 H new ATOM 0 HG1 THR A 86 -2.369 -7.981 -14.183 1.00 0.00 H new ATOM 0 HG21 THR A 86 -2.523 -6.132 -15.586 1.00 0.00 H new ATOM 0 HG22 THR A 86 -3.590 -4.804 -15.072 1.00 0.00 H new ATOM 0 HG23 THR A 86 -2.062 -5.101 -14.211 1.00 0.00 H new ATOM 1424 N ASP A 87 -4.834 -7.740 -11.362 1.00 0.00 N ATOM 1425 CA ASP A 87 -5.754 -8.753 -10.847 1.00 0.00 C ATOM 1426 C ASP A 87 -5.267 -9.353 -9.526 1.00 0.00 C ATOM 1427 O ASP A 87 -5.848 -9.056 -8.483 1.00 0.00 O ATOM 1428 CB ASP A 87 -6.030 -9.813 -11.923 1.00 0.00 C ATOM 1429 CG ASP A 87 -7.223 -10.694 -11.539 1.00 0.00 C ATOM 1430 OD1 ASP A 87 -8.361 -10.420 -11.982 1.00 0.00 O ATOM 1431 OD2 ASP A 87 -7.056 -11.636 -10.734 1.00 0.00 O ATOM 0 H ASP A 87 -3.851 -7.966 -11.212 1.00 0.00 H new ATOM 0 HA ASP A 87 -6.703 -8.271 -10.612 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -6.228 -9.324 -12.877 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -5.145 -10.434 -12.061 1.00 0.00 H new ATOM 1436 N SER A 88 -4.193 -10.151 -9.546 1.00 0.00 N ATOM 1437 CA SER A 88 -3.723 -10.833 -8.337 1.00 0.00 C ATOM 1438 C SER A 88 -3.159 -9.949 -7.236 1.00 0.00 C ATOM 1439 O SER A 88 -2.566 -8.898 -7.477 1.00 0.00 O ATOM 1440 CB SER A 88 -2.679 -11.879 -8.657 1.00 0.00 C ATOM 1441 OG SER A 88 -2.836 -12.954 -7.755 1.00 0.00 O ATOM 0 H SER A 88 -3.637 -10.339 -10.380 1.00 0.00 H new ATOM 0 HA SER A 88 -4.642 -11.273 -7.949 1.00 0.00 H new ATOM 0 HB2 SER A 88 -2.792 -12.226 -9.684 1.00 0.00 H new ATOM 0 HB3 SER A 88 -1.678 -11.455 -8.572 1.00 0.00 H new ATOM 0 HG SER A 88 -2.710 -13.801 -8.231 1.00 0.00 H new ATOM 1447 N SER A 89 -3.231 -10.473 -6.017 1.00 0.00 N ATOM 1448 CA SER A 89 -2.730 -9.845 -4.803 1.00 0.00 C ATOM 1449 C SER A 89 -1.647 -10.686 -4.124 1.00 0.00 C ATOM 1450 O SER A 89 -1.842 -11.226 -3.036 1.00 0.00 O ATOM 1451 CB SER A 89 -3.913 -9.496 -3.904 1.00 0.00 C ATOM 1452 OG SER A 89 -4.616 -10.662 -3.501 1.00 0.00 O ATOM 0 H SER A 89 -3.657 -11.383 -5.842 1.00 0.00 H new ATOM 0 HA SER A 89 -2.221 -8.913 -5.049 1.00 0.00 H new ATOM 0 HB2 SER A 89 -3.558 -8.960 -3.024 1.00 0.00 H new ATOM 0 HB3 SER A 89 -4.590 -8.826 -4.434 1.00 0.00 H new ATOM 0 HG SER A 89 -3.977 -11.345 -3.210 1.00 0.00 H new ATOM 1458 N ARG A 90 -0.463 -10.757 -4.750 1.00 0.00 N ATOM 1459 CA ARG A 90 0.804 -10.573 -4.005 1.00 0.00 C ATOM 1460 C ARG A 90 1.193 -9.089 -3.944 1.00 0.00 C ATOM 1461 O ARG A 90 1.966 -8.693 -3.074 1.00 0.00 O ATOM 1462 CB ARG A 90 1.938 -11.428 -4.608 1.00 0.00 C ATOM 1463 CG ARG A 90 3.111 -11.587 -3.621 1.00 0.00 C ATOM 1464 CD ARG A 90 4.210 -12.534 -4.121 1.00 0.00 C ATOM 1465 NE ARG A 90 5.100 -11.901 -5.115 1.00 0.00 N ATOM 1466 CZ ARG A 90 6.252 -11.294 -4.883 1.00 0.00 C ATOM 1467 NH1 ARG A 90 6.997 -10.925 -5.881 1.00 0.00 N ATOM 1468 NH2 ARG A 90 6.688 -11.030 -3.684 1.00 0.00 N ATOM 0 H ARG A 90 -0.350 -10.936 -5.748 1.00 0.00 H new ATOM 0 HA ARG A 90 0.645 -10.918 -2.983 1.00 0.00 H new ATOM 0 HB2 ARG A 90 1.551 -12.411 -4.876 1.00 0.00 H new ATOM 0 HB3 ARG A 90 2.295 -10.964 -5.528 1.00 0.00 H new ATOM 0 HG2 ARG A 90 3.548 -10.607 -3.428 1.00 0.00 H new ATOM 0 HG3 ARG A 90 2.728 -11.958 -2.671 1.00 0.00 H new ATOM 0 HD2 ARG A 90 4.804 -12.875 -3.273 1.00 0.00 H new ATOM 0 HD3 ARG A 90 3.749 -13.417 -4.563 1.00 0.00 H new ATOM 0 HE ARG A 90 4.793 -11.936 -6.087 1.00 0.00 H new ATOM 0 HH11 ARG A 90 6.693 -11.104 -6.838 1.00 0.00 H new ATOM 0 HH12 ARG A 90 7.886 -10.457 -5.708 1.00 0.00 H new ATOM 0 HH21 ARG A 90 6.133 -11.294 -2.870 1.00 0.00 H new ATOM 0 HH22 ARG A 90 7.584 -10.559 -3.559 1.00 0.00 H new ATOM 1482 N TYR A 91 0.645 -8.277 -4.852 1.00 0.00 N ATOM 1483 CA TYR A 91 1.035 -6.884 -5.056 1.00 0.00 C ATOM 1484 C TYR A 91 -0.107 -5.888 -4.904 1.00 0.00 C ATOM 1485 O TYR A 91 -1.277 -6.223 -5.091 1.00 0.00 O ATOM 1486 CB TYR A 91 1.607 -6.692 -6.463 1.00 0.00 C ATOM 1487 CG TYR A 91 2.562 -7.753 -6.929 1.00 0.00 C ATOM 1488 CD1 TYR A 91 2.120 -8.730 -7.840 1.00 0.00 C ATOM 1489 CD2 TYR A 91 3.882 -7.751 -6.456 1.00 0.00 C ATOM 1490 CE1 TYR A 91 3.000 -9.730 -8.278 1.00 0.00 C ATOM 1491 CE2 TYR A 91 4.766 -8.753 -6.881 1.00 0.00 C ATOM 1492 CZ TYR A 91 4.321 -9.758 -7.769 1.00 0.00 C ATOM 1493 OH TYR A 91 5.175 -10.758 -8.102 1.00 0.00 O ATOM 0 H TYR A 91 -0.100 -8.580 -5.480 1.00 0.00 H new ATOM 0 HA TYR A 91 1.772 -6.685 -4.278 1.00 0.00 H new ATOM 0 HB2 TYR A 91 0.778 -6.641 -7.168 1.00 0.00 H new ATOM 0 HB3 TYR A 91 2.117 -5.729 -6.500 1.00 0.00 H new ATOM 0 HD1 TYR A 91 1.103 -8.710 -8.202 1.00 0.00 H new ATOM 0 HD2 TYR A 91 4.215 -6.985 -5.771 1.00 0.00 H new ATOM 0 HE1 TYR A 91 2.674 -10.470 -8.995 1.00 0.00 H new ATOM 0 HE2 TYR A 91 5.787 -8.757 -6.530 1.00 0.00 H new ATOM 0 HH TYR A 91 4.822 -11.246 -8.875 1.00 0.00 H new ATOM 1503 N PHE A 92 0.286 -4.636 -4.686 1.00 0.00 N ATOM 1504 CA PHE A 92 -0.558 -3.448 -4.789 1.00 0.00 C ATOM 1505 C PHE A 92 0.240 -2.289 -5.388 1.00 0.00 C ATOM 1506 O PHE A 92 1.449 -2.390 -5.586 1.00 0.00 O ATOM 1507 CB PHE A 92 -1.104 -3.074 -3.403 1.00 0.00 C ATOM 1508 CG PHE A 92 -1.967 -4.168 -2.824 1.00 0.00 C ATOM 1509 CD1 PHE A 92 -3.313 -4.288 -3.217 1.00 0.00 C ATOM 1510 CD2 PHE A 92 -1.392 -5.119 -1.963 1.00 0.00 C ATOM 1511 CE1 PHE A 92 -4.085 -5.367 -2.754 1.00 0.00 C ATOM 1512 CE2 PHE A 92 -2.168 -6.192 -1.501 1.00 0.00 C ATOM 1513 CZ PHE A 92 -3.510 -6.325 -1.904 1.00 0.00 C ATOM 0 H PHE A 92 1.245 -4.411 -4.421 1.00 0.00 H new ATOM 0 HA PHE A 92 -1.400 -3.661 -5.447 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -0.273 -2.872 -2.728 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -1.685 -2.155 -3.478 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -3.752 -3.552 -3.874 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -0.360 -5.024 -1.659 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -5.119 -5.459 -3.052 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -1.733 -6.920 -0.832 1.00 0.00 H new ATOM 0 HZ PHE A 92 -4.097 -7.164 -1.560 1.00 0.00 H new ATOM 1523 N VAL A 93 -0.436 -1.175 -5.634 1.00 0.00 N ATOM 1524 CA VAL A 93 0.156 0.147 -5.841 1.00 0.00 C ATOM 1525 C VAL A 93 -0.498 1.115 -4.866 1.00 0.00 C ATOM 1526 O VAL A 93 -1.716 1.076 -4.706 1.00 0.00 O ATOM 1527 CB VAL A 93 -0.031 0.616 -7.293 1.00 0.00 C ATOM 1528 CG1 VAL A 93 0.430 2.064 -7.482 1.00 0.00 C ATOM 1529 CG2 VAL A 93 0.761 -0.291 -8.239 1.00 0.00 C ATOM 0 H VAL A 93 -1.454 -1.163 -5.698 1.00 0.00 H new ATOM 0 HA VAL A 93 1.230 0.105 -5.659 1.00 0.00 H new ATOM 0 HB VAL A 93 -1.095 0.561 -7.523 1.00 0.00 H new ATOM 0 HG11 VAL A 93 0.283 2.360 -8.521 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -0.151 2.719 -6.832 1.00 0.00 H new ATOM 0 HG13 VAL A 93 1.487 2.145 -7.228 1.00 0.00 H new ATOM 0 HG21 VAL A 93 0.624 0.047 -9.266 1.00 0.00 H new ATOM 0 HG22 VAL A 93 1.819 -0.250 -7.981 1.00 0.00 H new ATOM 0 HG23 VAL A 93 0.404 -1.316 -8.144 1.00 0.00 H new ATOM 1539 N ILE A 94 0.287 1.992 -4.236 1.00 0.00 N ATOM 1540 CA ILE A 94 -0.228 3.082 -3.401 1.00 0.00 C ATOM 1541 C ILE A 94 0.396 4.429 -3.800 1.00 0.00 C ATOM 1542 O ILE A 94 1.548 4.499 -4.243 1.00 0.00 O ATOM 1543 CB ILE A 94 -0.100 2.777 -1.883 1.00 0.00 C ATOM 1544 CG1 ILE A 94 1.373 2.760 -1.429 1.00 0.00 C ATOM 1545 CG2 ILE A 94 -0.777 1.441 -1.513 1.00 0.00 C ATOM 1546 CD1 ILE A 94 1.515 2.711 0.093 1.00 0.00 C ATOM 0 H ILE A 94 1.305 1.966 -4.291 1.00 0.00 H new ATOM 0 HA ILE A 94 -1.298 3.163 -3.590 1.00 0.00 H new ATOM 0 HB ILE A 94 -0.614 3.583 -1.359 1.00 0.00 H new ATOM 0 HG12 ILE A 94 1.875 1.896 -1.866 1.00 0.00 H new ATOM 0 HG13 ILE A 94 1.878 3.648 -1.810 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -0.667 1.261 -0.444 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -1.836 1.487 -1.766 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -0.307 0.629 -2.068 1.00 0.00 H new ATOM 0 HD11 ILE A 94 2.572 2.701 0.360 1.00 0.00 H new ATOM 0 HD12 ILE A 94 1.039 3.588 0.531 1.00 0.00 H new ATOM 0 HD13 ILE A 94 1.036 1.809 0.474 1.00 0.00 H new ATOM 1558 N ARG A 95 -0.370 5.509 -3.618 1.00 0.00 N ATOM 1559 CA ARG A 95 0.085 6.900 -3.784 1.00 0.00 C ATOM 1560 C ARG A 95 0.498 7.448 -2.420 1.00 0.00 C ATOM 1561 O ARG A 95 -0.357 7.842 -1.629 1.00 0.00 O ATOM 1562 CB ARG A 95 -1.010 7.719 -4.498 1.00 0.00 C ATOM 1563 CG ARG A 95 -0.659 9.187 -4.813 1.00 0.00 C ATOM 1564 CD ARG A 95 -0.859 10.094 -3.592 1.00 0.00 C ATOM 1565 NE ARG A 95 -0.819 11.528 -3.922 1.00 0.00 N ATOM 1566 CZ ARG A 95 -1.775 12.285 -4.424 1.00 0.00 C ATOM 1567 NH1 ARG A 95 -1.536 13.548 -4.615 1.00 0.00 N ATOM 1568 NH2 ARG A 95 -2.952 11.826 -4.740 1.00 0.00 N ATOM 0 H ARG A 95 -1.350 5.442 -3.344 1.00 0.00 H new ATOM 0 HA ARG A 95 0.966 6.964 -4.423 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -1.260 7.217 -5.433 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -1.907 7.705 -3.879 1.00 0.00 H new ATOM 0 HG2 ARG A 95 0.377 9.250 -5.147 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -1.281 9.541 -5.635 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -1.817 9.861 -3.128 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -0.086 9.876 -2.855 1.00 0.00 H new ATOM 0 HE ARG A 95 0.067 11.999 -3.738 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -0.623 13.936 -4.378 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -2.261 14.151 -5.002 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -3.168 10.839 -4.602 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -3.658 12.454 -5.125 1.00 0.00 H new ATOM 1582 N ILE A 96 1.799 7.471 -2.146 1.00 0.00 N ATOM 1583 CA ILE A 96 2.376 8.060 -0.929 1.00 0.00 C ATOM 1584 C ILE A 96 2.603 9.570 -1.088 1.00 0.00 C ATOM 1585 O ILE A 96 2.661 10.088 -2.207 1.00 0.00 O ATOM 1586 CB ILE A 96 3.680 7.341 -0.502 1.00 0.00 C ATOM 1587 CG1 ILE A 96 4.772 7.407 -1.591 1.00 0.00 C ATOM 1588 CG2 ILE A 96 3.400 5.883 -0.104 1.00 0.00 C ATOM 1589 CD1 ILE A 96 6.174 7.145 -1.044 1.00 0.00 C ATOM 0 H ILE A 96 2.500 7.075 -2.772 1.00 0.00 H new ATOM 0 HA ILE A 96 1.649 7.915 -0.130 1.00 0.00 H new ATOM 0 HB ILE A 96 4.062 7.874 0.369 1.00 0.00 H new ATOM 0 HG12 ILE A 96 4.548 6.676 -2.368 1.00 0.00 H new ATOM 0 HG13 ILE A 96 4.749 8.390 -2.062 1.00 0.00 H new ATOM 0 HG21 ILE A 96 4.332 5.401 0.191 1.00 0.00 H new ATOM 0 HG22 ILE A 96 2.700 5.862 0.731 1.00 0.00 H new ATOM 0 HG23 ILE A 96 2.969 5.351 -0.952 1.00 0.00 H new ATOM 0 HD11 ILE A 96 6.898 7.205 -1.856 1.00 0.00 H new ATOM 0 HD12 ILE A 96 6.415 7.892 -0.287 1.00 0.00 H new ATOM 0 HD13 ILE A 96 6.211 6.151 -0.598 1.00 0.00 H new ATOM 1601 N GLN A 97 2.811 10.267 0.029 1.00 0.00 N ATOM 1602 CA GLN A 97 3.517 11.552 0.033 1.00 0.00 C ATOM 1603 C GLN A 97 4.998 11.385 0.389 1.00 0.00 C ATOM 1604 O GLN A 97 5.360 10.533 1.202 1.00 0.00 O ATOM 1605 CB GLN A 97 2.819 12.584 0.927 1.00 0.00 C ATOM 1606 CG GLN A 97 1.566 13.154 0.241 1.00 0.00 C ATOM 1607 CD GLN A 97 1.312 14.603 0.642 1.00 0.00 C ATOM 1608 OE1 GLN A 97 0.405 14.930 1.396 1.00 0.00 O ATOM 1609 NE2 GLN A 97 2.120 15.524 0.154 1.00 0.00 N ATOM 0 H GLN A 97 2.498 9.962 0.951 1.00 0.00 H new ATOM 0 HA GLN A 97 3.480 11.943 -0.984 1.00 0.00 H new ATOM 0 HB2 GLN A 97 2.540 12.120 1.873 1.00 0.00 H new ATOM 0 HB3 GLN A 97 3.510 13.394 1.160 1.00 0.00 H new ATOM 0 HG2 GLN A 97 1.683 13.091 -0.841 1.00 0.00 H new ATOM 0 HG3 GLN A 97 0.700 12.547 0.503 1.00 0.00 H new ATOM 0 HE21 GLN A 97 2.877 15.257 -0.475 1.00 0.00 H new ATOM 0 HE22 GLN A 97 1.988 16.504 0.405 1.00 0.00 H new ATOM 1682 N SER A 103 4.117 14.188 -3.864 1.00 0.00 N ATOM 1683 CA SER A 103 3.620 12.804 -3.919 1.00 0.00 C ATOM 1684 C SER A 103 4.498 11.878 -4.771 1.00 0.00 C ATOM 1685 O SER A 103 5.231 12.340 -5.649 1.00 0.00 O ATOM 1686 CB SER A 103 2.197 12.782 -4.487 1.00 0.00 C ATOM 1687 OG SER A 103 1.300 13.516 -3.665 1.00 0.00 O ATOM 0 HA SER A 103 3.642 12.432 -2.895 1.00 0.00 H new ATOM 0 HB2 SER A 103 2.198 13.202 -5.493 1.00 0.00 H new ATOM 0 HB3 SER A 103 1.854 11.751 -4.573 1.00 0.00 H new ATOM 0 HG SER A 103 1.795 14.207 -3.176 1.00 0.00 H new ATOM 1693 N ALA A 104 4.382 10.565 -4.546 1.00 0.00 N ATOM 1694 CA ALA A 104 4.995 9.516 -5.365 1.00 0.00 C ATOM 1695 C ALA A 104 4.126 8.247 -5.418 1.00 0.00 C ATOM 1696 O ALA A 104 3.431 7.915 -4.458 1.00 0.00 O ATOM 1697 CB ALA A 104 6.399 9.210 -4.822 1.00 0.00 C ATOM 0 H ALA A 104 3.842 10.192 -3.765 1.00 0.00 H new ATOM 0 HA ALA A 104 5.076 9.876 -6.391 1.00 0.00 H new ATOM 0 HB1 ALA A 104 6.861 8.430 -5.427 1.00 0.00 H new ATOM 0 HB2 ALA A 104 7.010 10.112 -4.864 1.00 0.00 H new ATOM 0 HB3 ALA A 104 6.324 8.871 -3.789 1.00 0.00 H new ATOM 1703 N PHE A 105 4.192 7.511 -6.529 1.00 0.00 N ATOM 1704 CA PHE A 105 3.582 6.185 -6.660 1.00 0.00 C ATOM 1705 C PHE A 105 4.629 5.084 -6.450 1.00 0.00 C ATOM 1706 O PHE A 105 5.689 5.091 -7.084 1.00 0.00 O ATOM 1707 CB PHE A 105 2.880 6.052 -8.019 1.00 0.00 C ATOM 1708 CG PHE A 105 1.900 7.173 -8.311 1.00 0.00 C ATOM 1709 CD1 PHE A 105 0.599 7.143 -7.771 1.00 0.00 C ATOM 1710 CD2 PHE A 105 2.307 8.276 -9.085 1.00 0.00 C ATOM 1711 CE1 PHE A 105 -0.291 8.199 -8.028 1.00 0.00 C ATOM 1712 CE2 PHE A 105 1.425 9.347 -9.312 1.00 0.00 C ATOM 1713 CZ PHE A 105 0.121 9.306 -8.788 1.00 0.00 C ATOM 0 H PHE A 105 4.675 7.821 -7.372 1.00 0.00 H new ATOM 0 HA PHE A 105 2.826 6.067 -5.884 1.00 0.00 H new ATOM 0 HB2 PHE A 105 3.633 6.026 -8.806 1.00 0.00 H new ATOM 0 HB3 PHE A 105 2.350 5.100 -8.053 1.00 0.00 H new ATOM 0 HD1 PHE A 105 0.286 6.309 -7.160 1.00 0.00 H new ATOM 0 HD2 PHE A 105 3.301 8.300 -9.506 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -1.298 8.159 -7.639 1.00 0.00 H new ATOM 0 HE2 PHE A 105 1.749 10.201 -9.889 1.00 0.00 H new ATOM 0 HZ PHE A 105 -0.562 10.123 -8.969 1.00 0.00 H new ATOM 1723 N ILE A 106 4.315 4.117 -5.587 1.00 0.00 N ATOM 1724 CA ILE A 106 5.086 2.874 -5.422 1.00 0.00 C ATOM 1725 C ILE A 106 4.168 1.662 -5.580 1.00 0.00 C ATOM 1726 O ILE A 106 3.036 1.642 -5.097 1.00 0.00 O ATOM 1727 CB ILE A 106 5.893 2.813 -4.096 1.00 0.00 C ATOM 1728 CG1 ILE A 106 4.934 2.710 -2.878 1.00 0.00 C ATOM 1729 CG2 ILE A 106 6.814 4.042 -3.973 1.00 0.00 C ATOM 1730 CD1 ILE A 106 5.557 2.800 -1.481 1.00 0.00 C ATOM 0 H ILE A 106 3.505 4.172 -4.970 1.00 0.00 H new ATOM 0 HA ILE A 106 5.836 2.859 -6.213 1.00 0.00 H new ATOM 0 HB ILE A 106 6.518 1.920 -4.108 1.00 0.00 H new ATOM 0 HG12 ILE A 106 4.190 3.502 -2.967 1.00 0.00 H new ATOM 0 HG13 ILE A 106 4.400 1.762 -2.949 1.00 0.00 H new ATOM 0 HG21 ILE A 106 7.373 3.986 -3.039 1.00 0.00 H new ATOM 0 HG22 ILE A 106 7.510 4.061 -4.812 1.00 0.00 H new ATOM 0 HG23 ILE A 106 6.212 4.950 -3.981 1.00 0.00 H new ATOM 0 HD11 ILE A 106 4.774 2.713 -0.727 1.00 0.00 H new ATOM 0 HD12 ILE A 106 6.277 1.992 -1.351 1.00 0.00 H new ATOM 0 HD13 ILE A 106 6.064 3.759 -1.370 1.00 0.00 H new ATOM 1742 N GLY A 107 4.692 0.633 -6.229 1.00 0.00 N ATOM 1743 CA GLY A 107 4.225 -0.733 -6.102 1.00 0.00 C ATOM 1744 C GLY A 107 4.690 -1.337 -4.777 1.00 0.00 C ATOM 1745 O GLY A 107 5.717 -0.952 -4.212 1.00 0.00 O ATOM 0 H GLY A 107 5.475 0.731 -6.875 1.00 0.00 H new ATOM 0 HA2 GLY A 107 3.137 -0.758 -6.158 1.00 0.00 H new ATOM 0 HA3 GLY A 107 4.601 -1.331 -6.933 1.00 0.00 H new ATOM 1749 N ILE A 108 3.933 -2.308 -4.285 1.00 0.00 N ATOM 1750 CA ILE A 108 4.248 -3.094 -3.092 1.00 0.00 C ATOM 1751 C ILE A 108 4.218 -4.577 -3.474 1.00 0.00 C ATOM 1752 O ILE A 108 3.383 -4.967 -4.287 1.00 0.00 O ATOM 1753 CB ILE A 108 3.267 -2.778 -1.937 1.00 0.00 C ATOM 1754 CG1 ILE A 108 3.229 -1.253 -1.675 1.00 0.00 C ATOM 1755 CG2 ILE A 108 3.711 -3.539 -0.681 1.00 0.00 C ATOM 1756 CD1 ILE A 108 2.553 -0.832 -0.369 1.00 0.00 C ATOM 0 H ILE A 108 3.051 -2.582 -4.718 1.00 0.00 H new ATOM 0 HA ILE A 108 5.242 -2.834 -2.727 1.00 0.00 H new ATOM 0 HB ILE A 108 2.261 -3.097 -2.208 1.00 0.00 H new ATOM 0 HG12 ILE A 108 4.251 -0.875 -1.674 1.00 0.00 H new ATOM 0 HG13 ILE A 108 2.712 -0.771 -2.505 1.00 0.00 H new ATOM 0 HG21 ILE A 108 3.025 -3.322 0.138 1.00 0.00 H new ATOM 0 HG22 ILE A 108 3.706 -4.610 -0.884 1.00 0.00 H new ATOM 0 HG23 ILE A 108 4.718 -3.227 -0.403 1.00 0.00 H new ATOM 0 HD11 ILE A 108 2.578 0.254 -0.280 1.00 0.00 H new ATOM 0 HD12 ILE A 108 1.517 -1.172 -0.369 1.00 0.00 H new ATOM 0 HD13 ILE A 108 3.081 -1.278 0.474 1.00 0.00 H new ATOM 1768 N GLY A 109 5.083 -5.406 -2.885 1.00 0.00 N ATOM 1769 CA GLY A 109 5.050 -6.867 -2.986 1.00 0.00 C ATOM 1770 C GLY A 109 5.183 -7.541 -1.621 1.00 0.00 C ATOM 1771 O GLY A 109 6.105 -7.256 -0.852 1.00 0.00 O ATOM 0 H GLY A 109 5.851 -5.068 -2.305 1.00 0.00 H new ATOM 0 HA2 GLY A 109 4.115 -7.177 -3.453 1.00 0.00 H new ATOM 0 HA3 GLY A 109 5.858 -7.203 -3.636 1.00 0.00 H new ATOM 1775 N PHE A 110 4.264 -8.452 -1.313 1.00 0.00 N ATOM 1776 CA PHE A 110 4.250 -9.221 -0.067 1.00 0.00 C ATOM 1777 C PHE A 110 4.985 -10.560 -0.182 1.00 0.00 C ATOM 1778 O PHE A 110 5.209 -11.091 -1.272 1.00 0.00 O ATOM 1779 CB PHE A 110 2.803 -9.402 0.403 1.00 0.00 C ATOM 1780 CG PHE A 110 2.234 -8.158 1.054 1.00 0.00 C ATOM 1781 CD1 PHE A 110 2.176 -8.082 2.457 1.00 0.00 C ATOM 1782 CD2 PHE A 110 1.796 -7.067 0.276 1.00 0.00 C ATOM 1783 CE1 PHE A 110 1.653 -6.938 3.082 1.00 0.00 C ATOM 1784 CE2 PHE A 110 1.295 -5.913 0.902 1.00 0.00 C ATOM 1785 CZ PHE A 110 1.227 -5.850 2.303 1.00 0.00 C ATOM 0 H PHE A 110 3.490 -8.683 -1.935 1.00 0.00 H new ATOM 0 HA PHE A 110 4.802 -8.655 0.684 1.00 0.00 H new ATOM 0 HB2 PHE A 110 2.181 -9.677 -0.449 1.00 0.00 H new ATOM 0 HB3 PHE A 110 2.757 -10.230 1.111 1.00 0.00 H new ATOM 0 HD1 PHE A 110 2.535 -8.906 3.056 1.00 0.00 H new ATOM 0 HD2 PHE A 110 1.846 -7.118 -0.802 1.00 0.00 H new ATOM 0 HE1 PHE A 110 1.579 -6.895 4.159 1.00 0.00 H new ATOM 0 HE2 PHE A 110 0.963 -5.076 0.306 1.00 0.00 H new ATOM 0 HZ PHE A 110 0.846 -4.961 2.783 1.00 0.00 H new ATOM 1795 N THR A 111 5.338 -11.123 0.973 1.00 0.00 N ATOM 1796 CA THR A 111 6.019 -12.422 1.079 1.00 0.00 C ATOM 1797 C THR A 111 5.072 -13.614 0.871 1.00 0.00 C ATOM 1798 O THR A 111 5.499 -14.703 0.484 1.00 0.00 O ATOM 1799 CB THR A 111 6.764 -12.477 2.418 1.00 0.00 C ATOM 1800 OG1 THR A 111 7.775 -13.461 2.387 1.00 0.00 O ATOM 1801 CG2 THR A 111 5.866 -12.741 3.626 1.00 0.00 C ATOM 0 H THR A 111 5.158 -10.687 1.877 1.00 0.00 H new ATOM 0 HA THR A 111 6.742 -12.509 0.268 1.00 0.00 H new ATOM 0 HB THR A 111 7.190 -11.482 2.543 1.00 0.00 H new ATOM 0 HG1 THR A 111 8.240 -13.480 3.250 1.00 0.00 H new ATOM 0 HG21 THR A 111 6.472 -12.764 4.532 1.00 0.00 H new ATOM 0 HG22 THR A 111 5.123 -11.948 3.707 1.00 0.00 H new ATOM 0 HG23 THR A 111 5.362 -13.699 3.502 1.00 0.00 H new ATOM 1809 N ASP A 112 3.768 -13.392 1.070 1.00 0.00 N ATOM 1810 CA ASP A 112 2.696 -14.380 0.885 1.00 0.00 C ATOM 1811 C ASP A 112 1.439 -13.773 0.230 1.00 0.00 C ATOM 1812 O ASP A 112 1.088 -12.617 0.490 1.00 0.00 O ATOM 1813 CB ASP A 112 2.346 -15.005 2.249 1.00 0.00 C ATOM 1814 CG ASP A 112 1.653 -16.364 2.083 1.00 0.00 C ATOM 1815 OD1 ASP A 112 2.344 -17.410 2.117 1.00 0.00 O ATOM 1816 OD2 ASP A 112 0.416 -16.384 1.890 1.00 0.00 O ATOM 0 H ASP A 112 3.416 -12.485 1.376 1.00 0.00 H new ATOM 0 HA ASP A 112 3.060 -15.148 0.203 1.00 0.00 H new ATOM 0 HB2 ASP A 112 3.255 -15.128 2.838 1.00 0.00 H new ATOM 0 HB3 ASP A 112 1.696 -14.329 2.804 1.00 0.00 H new ATOM 1821 N ARG A 113 0.714 -14.571 -0.570 1.00 0.00 N ATOM 1822 CA ARG A 113 -0.600 -14.203 -1.138 1.00 0.00 C ATOM 1823 C ARG A 113 -1.643 -13.898 -0.061 1.00 0.00 C ATOM 1824 O ARG A 113 -2.440 -12.982 -0.240 1.00 0.00 O ATOM 1825 CB ARG A 113 -1.119 -15.337 -2.046 1.00 0.00 C ATOM 1826 CG ARG A 113 -0.433 -15.412 -3.419 1.00 0.00 C ATOM 1827 CD ARG A 113 -0.852 -14.241 -4.318 1.00 0.00 C ATOM 1828 NE ARG A 113 -0.183 -14.301 -5.639 1.00 0.00 N ATOM 1829 CZ ARG A 113 -0.595 -14.920 -6.736 1.00 0.00 C ATOM 1830 NH1 ARG A 113 0.069 -14.815 -7.850 1.00 0.00 N ATOM 1831 NH2 ARG A 113 -1.673 -15.640 -6.765 1.00 0.00 N ATOM 0 H ARG A 113 1.025 -15.502 -0.846 1.00 0.00 H new ATOM 0 HA ARG A 113 -0.450 -13.292 -1.718 1.00 0.00 H new ATOM 0 HB2 ARG A 113 -0.983 -16.289 -1.532 1.00 0.00 H new ATOM 0 HB3 ARG A 113 -2.191 -15.206 -2.195 1.00 0.00 H new ATOM 0 HG2 ARG A 113 0.649 -15.403 -3.288 1.00 0.00 H new ATOM 0 HG3 ARG A 113 -0.688 -16.354 -3.904 1.00 0.00 H new ATOM 0 HD2 ARG A 113 -1.933 -14.256 -4.456 1.00 0.00 H new ATOM 0 HD3 ARG A 113 -0.606 -13.299 -3.828 1.00 0.00 H new ATOM 0 HE ARG A 113 0.705 -13.804 -5.713 1.00 0.00 H new ATOM 0 HH11 ARG A 113 0.918 -14.251 -7.886 1.00 0.00 H new ATOM 0 HH12 ARG A 113 -0.259 -15.297 -8.687 1.00 0.00 H new ATOM 0 HH21 ARG A 113 -2.238 -15.746 -5.923 1.00 0.00 H new ATOM 0 HH22 ARG A 113 -1.956 -16.100 -7.630 1.00 0.00 H new ATOM 1845 N GLY A 114 -1.624 -14.613 1.063 1.00 0.00 N ATOM 1846 CA GLY A 114 -2.496 -14.345 2.210 1.00 0.00 C ATOM 1847 C GLY A 114 -2.151 -13.036 2.926 1.00 0.00 C ATOM 1848 O GLY A 114 -3.050 -12.314 3.352 1.00 0.00 O ATOM 0 H GLY A 114 -0.996 -15.404 1.206 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -3.532 -14.307 1.872 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -2.422 -15.171 2.917 1.00 0.00 H new ATOM 1852 N ASP A 115 -0.865 -12.673 2.997 1.00 0.00 N ATOM 1853 CA ASP A 115 -0.429 -11.421 3.628 1.00 0.00 C ATOM 1854 C ASP A 115 -0.836 -10.188 2.804 1.00 0.00 C ATOM 1855 O ASP A 115 -1.288 -9.194 3.375 1.00 0.00 O ATOM 1856 CB ASP A 115 1.077 -11.449 3.936 1.00 0.00 C ATOM 1857 CG ASP A 115 1.454 -12.446 5.049 1.00 0.00 C ATOM 1858 OD1 ASP A 115 0.618 -12.705 5.949 1.00 0.00 O ATOM 1859 OD2 ASP A 115 2.606 -12.932 5.052 1.00 0.00 O ATOM 0 H ASP A 115 -0.101 -13.235 2.621 1.00 0.00 H new ATOM 0 HA ASP A 115 -0.950 -11.335 4.582 1.00 0.00 H new ATOM 0 HB2 ASP A 115 1.622 -11.706 3.028 1.00 0.00 H new ATOM 0 HB3 ASP A 115 1.399 -10.450 4.229 1.00 0.00 H new ATOM 1864 N ALA A 116 -0.788 -10.280 1.470 1.00 0.00 N ATOM 1865 CA ALA A 116 -1.358 -9.263 0.589 1.00 0.00 C ATOM 1866 C ALA A 116 -2.899 -9.289 0.556 1.00 0.00 C ATOM 1867 O ALA A 116 -3.524 -8.235 0.661 1.00 0.00 O ATOM 1868 CB ALA A 116 -0.770 -9.420 -0.811 1.00 0.00 C ATOM 0 H ALA A 116 -0.354 -11.060 0.976 1.00 0.00 H new ATOM 0 HA ALA A 116 -1.089 -8.286 0.991 1.00 0.00 H new ATOM 0 HB1 ALA A 116 -1.193 -8.663 -1.471 1.00 0.00 H new ATOM 0 HB2 ALA A 116 0.312 -9.299 -0.767 1.00 0.00 H new ATOM 0 HB3 ALA A 116 -1.008 -10.411 -1.197 1.00 0.00 H new ATOM 1874 N PHE A 117 -3.553 -10.453 0.477 1.00 0.00 N ATOM 1875 CA PHE A 117 -5.021 -10.497 0.582 1.00 0.00 C ATOM 1876 C PHE A 117 -5.560 -9.897 1.905 1.00 0.00 C ATOM 1877 O PHE A 117 -6.647 -9.317 1.914 1.00 0.00 O ATOM 1878 CB PHE A 117 -5.528 -11.925 0.357 1.00 0.00 C ATOM 1879 CG PHE A 117 -7.016 -11.993 0.065 1.00 0.00 C ATOM 1880 CD1 PHE A 117 -7.928 -12.405 1.055 1.00 0.00 C ATOM 1881 CD2 PHE A 117 -7.491 -11.630 -1.210 1.00 0.00 C ATOM 1882 CE1 PHE A 117 -9.304 -12.464 0.764 1.00 0.00 C ATOM 1883 CE2 PHE A 117 -8.862 -11.710 -1.509 1.00 0.00 C ATOM 1884 CZ PHE A 117 -9.770 -12.126 -0.519 1.00 0.00 C ATOM 0 H PHE A 117 -3.105 -11.359 0.344 1.00 0.00 H new ATOM 0 HA PHE A 117 -5.416 -9.857 -0.207 1.00 0.00 H new ATOM 0 HB2 PHE A 117 -4.981 -12.371 -0.473 1.00 0.00 H new ATOM 0 HB3 PHE A 117 -5.310 -12.524 1.241 1.00 0.00 H new ATOM 0 HD1 PHE A 117 -7.572 -12.676 2.038 1.00 0.00 H new ATOM 0 HD2 PHE A 117 -6.797 -11.288 -1.963 1.00 0.00 H new ATOM 0 HE1 PHE A 117 -10.004 -12.770 1.528 1.00 0.00 H new ATOM 0 HE2 PHE A 117 -9.217 -11.453 -2.496 1.00 0.00 H new ATOM 0 HZ PHE A 117 -10.825 -12.186 -0.744 1.00 0.00 H new ATOM 1894 N ASP A 118 -4.792 -9.926 3.002 1.00 0.00 N ATOM 1895 CA ASP A 118 -5.138 -9.254 4.262 1.00 0.00 C ATOM 1896 C ASP A 118 -4.930 -7.730 4.187 1.00 0.00 C ATOM 1897 O ASP A 118 -5.702 -6.984 4.793 1.00 0.00 O ATOM 1898 CB ASP A 118 -4.319 -9.836 5.425 1.00 0.00 C ATOM 1899 CG ASP A 118 -4.774 -11.224 5.917 1.00 0.00 C ATOM 1900 OD1 ASP A 118 -5.962 -11.593 5.756 1.00 0.00 O ATOM 1901 OD2 ASP A 118 -3.942 -11.917 6.552 1.00 0.00 O ATOM 0 H ASP A 118 -3.902 -10.423 3.040 1.00 0.00 H new ATOM 0 HA ASP A 118 -6.199 -9.434 4.438 1.00 0.00 H new ATOM 0 HB2 ASP A 118 -3.276 -9.901 5.117 1.00 0.00 H new ATOM 0 HB3 ASP A 118 -4.361 -9.139 6.262 1.00 0.00 H new ATOM 1906 N PHE A 119 -3.955 -7.244 3.406 1.00 0.00 N ATOM 1907 CA PHE A 119 -3.816 -5.819 3.086 1.00 0.00 C ATOM 1908 C PHE A 119 -5.054 -5.297 2.326 1.00 0.00 C ATOM 1909 O PHE A 119 -5.488 -4.169 2.553 1.00 0.00 O ATOM 1910 CB PHE A 119 -2.495 -5.582 2.324 1.00 0.00 C ATOM 1911 CG PHE A 119 -2.298 -4.195 1.732 1.00 0.00 C ATOM 1912 CD1 PHE A 119 -2.954 -3.826 0.545 1.00 0.00 C ATOM 1913 CD2 PHE A 119 -1.418 -3.282 2.332 1.00 0.00 C ATOM 1914 CE1 PHE A 119 -2.767 -2.548 -0.011 1.00 0.00 C ATOM 1915 CE2 PHE A 119 -1.243 -1.997 1.794 1.00 0.00 C ATOM 1916 CZ PHE A 119 -1.922 -1.626 0.624 1.00 0.00 C ATOM 0 H PHE A 119 -3.239 -7.831 2.978 1.00 0.00 H new ATOM 0 HA PHE A 119 -3.767 -5.242 4.010 1.00 0.00 H new ATOM 0 HB2 PHE A 119 -1.667 -5.785 3.003 1.00 0.00 H new ATOM 0 HB3 PHE A 119 -2.430 -6.311 1.516 1.00 0.00 H new ATOM 0 HD1 PHE A 119 -3.609 -4.531 0.055 1.00 0.00 H new ATOM 0 HD2 PHE A 119 -0.870 -3.570 3.217 1.00 0.00 H new ATOM 0 HE1 PHE A 119 -3.273 -2.277 -0.926 1.00 0.00 H new ATOM 0 HE2 PHE A 119 -0.585 -1.293 2.282 1.00 0.00 H new ATOM 0 HZ PHE A 119 -1.795 -0.635 0.214 1.00 0.00 H new ATOM 1926 N ASN A 120 -5.685 -6.138 1.496 1.00 0.00 N ATOM 1927 CA ASN A 120 -6.994 -5.852 0.904 1.00 0.00 C ATOM 1928 C ASN A 120 -8.127 -5.910 1.949 1.00 0.00 C ATOM 1929 O ASN A 120 -8.826 -4.916 2.139 1.00 0.00 O ATOM 1930 CB ASN A 120 -7.215 -6.765 -0.316 1.00 0.00 C ATOM 1931 CG ASN A 120 -8.678 -6.899 -0.716 1.00 0.00 C ATOM 1932 OD1 ASN A 120 -9.306 -5.989 -1.238 1.00 0.00 O ATOM 1933 ND2 ASN A 120 -9.294 -8.020 -0.417 1.00 0.00 N ATOM 0 H ASN A 120 -5.298 -7.039 1.216 1.00 0.00 H new ATOM 0 HA ASN A 120 -7.013 -4.823 0.544 1.00 0.00 H new ATOM 0 HB2 ASN A 120 -6.650 -6.372 -1.161 1.00 0.00 H new ATOM 0 HB3 ASN A 120 -6.814 -7.755 -0.097 1.00 0.00 H new ATOM 0 HD21 ASN A 120 -10.288 -8.126 -0.621 1.00 0.00 H new ATOM 0 HD22 ASN A 120 -8.778 -8.785 0.019 1.00 0.00 H new ATOM 1940 N VAL A 121 -8.319 -7.027 2.661 1.00 0.00 N ATOM 1941 CA VAL A 121 -9.489 -7.223 3.548 1.00 0.00 C ATOM 1942 C VAL A 121 -9.537 -6.226 4.713 1.00 0.00 C ATOM 1943 O VAL A 121 -10.623 -5.758 5.064 1.00 0.00 O ATOM 1944 CB VAL A 121 -9.563 -8.683 4.044 1.00 0.00 C ATOM 1945 CG1 VAL A 121 -10.632 -8.916 5.122 1.00 0.00 C ATOM 1946 CG2 VAL A 121 -9.903 -9.628 2.883 1.00 0.00 C ATOM 0 H VAL A 121 -7.677 -7.819 2.644 1.00 0.00 H new ATOM 0 HA VAL A 121 -10.375 -7.019 2.947 1.00 0.00 H new ATOM 0 HB VAL A 121 -8.580 -8.885 4.469 1.00 0.00 H new ATOM 0 HG11 VAL A 121 -10.625 -9.964 5.421 1.00 0.00 H new ATOM 0 HG12 VAL A 121 -10.418 -8.290 5.988 1.00 0.00 H new ATOM 0 HG13 VAL A 121 -11.613 -8.659 4.723 1.00 0.00 H new ATOM 0 HG21 VAL A 121 -9.951 -10.653 3.250 1.00 0.00 H new ATOM 0 HG22 VAL A 121 -10.867 -9.349 2.457 1.00 0.00 H new ATOM 0 HG23 VAL A 121 -9.133 -9.553 2.116 1.00 0.00 H new ATOM 1956 N SER A 122 -8.387 -5.821 5.264 1.00 0.00 N ATOM 1957 CA SER A 122 -8.314 -4.770 6.295 1.00 0.00 C ATOM 1958 C SER A 122 -8.799 -3.395 5.811 1.00 0.00 C ATOM 1959 O SER A 122 -9.254 -2.593 6.629 1.00 0.00 O ATOM 1960 CB SER A 122 -6.895 -4.646 6.857 1.00 0.00 C ATOM 1961 OG SER A 122 -5.936 -4.460 5.838 1.00 0.00 O ATOM 0 H SER A 122 -7.479 -6.210 5.010 1.00 0.00 H new ATOM 0 HA SER A 122 -8.997 -5.090 7.082 1.00 0.00 H new ATOM 0 HB2 SER A 122 -6.853 -3.807 7.552 1.00 0.00 H new ATOM 0 HB3 SER A 122 -6.651 -5.544 7.425 1.00 0.00 H new ATOM 0 HG SER A 122 -5.662 -5.332 5.484 1.00 0.00 H new ATOM 1967 N LEU A 123 -8.770 -3.133 4.499 1.00 0.00 N ATOM 1968 CA LEU A 123 -9.361 -1.945 3.876 1.00 0.00 C ATOM 1969 C LEU A 123 -10.810 -2.194 3.434 1.00 0.00 C ATOM 1970 O LEU A 123 -11.654 -1.322 3.628 1.00 0.00 O ATOM 1971 CB LEU A 123 -8.490 -1.490 2.694 1.00 0.00 C ATOM 1972 CG LEU A 123 -7.043 -1.133 3.068 1.00 0.00 C ATOM 1973 CD1 LEU A 123 -6.241 -0.849 1.802 1.00 0.00 C ATOM 1974 CD2 LEU A 123 -6.955 0.086 3.991 1.00 0.00 C ATOM 0 H LEU A 123 -8.324 -3.757 3.826 1.00 0.00 H new ATOM 0 HA LEU A 123 -9.392 -1.149 4.620 1.00 0.00 H new ATOM 0 HB2 LEU A 123 -8.473 -2.282 1.945 1.00 0.00 H new ATOM 0 HB3 LEU A 123 -8.956 -0.622 2.229 1.00 0.00 H new ATOM 0 HG LEU A 123 -6.634 -1.989 3.605 1.00 0.00 H new ATOM 0 HD11 LEU A 123 -5.215 -0.596 2.070 1.00 0.00 H new ATOM 0 HD12 LEU A 123 -6.242 -1.733 1.165 1.00 0.00 H new ATOM 0 HD13 LEU A 123 -6.692 -0.014 1.265 1.00 0.00 H new ATOM 0 HD21 LEU A 123 -5.910 0.292 4.222 1.00 0.00 H new ATOM 0 HD22 LEU A 123 -7.394 0.951 3.494 1.00 0.00 H new ATOM 0 HD23 LEU A 123 -7.498 -0.117 4.914 1.00 0.00 H new ATOM 1986 N GLN A 124 -11.144 -3.378 2.907 1.00 0.00 N ATOM 1987 CA GLN A 124 -12.525 -3.718 2.531 1.00 0.00 C ATOM 1988 C GLN A 124 -13.471 -3.584 3.730 1.00 0.00 C ATOM 1989 O GLN A 124 -14.456 -2.857 3.651 1.00 0.00 O ATOM 1990 CB GLN A 124 -12.632 -5.141 1.953 1.00 0.00 C ATOM 1991 CG GLN A 124 -11.899 -5.353 0.620 1.00 0.00 C ATOM 1992 CD GLN A 124 -12.469 -4.582 -0.572 1.00 0.00 C ATOM 1993 OE1 GLN A 124 -13.546 -4.000 -0.546 1.00 0.00 O ATOM 1994 NE2 GLN A 124 -11.760 -4.567 -1.678 1.00 0.00 N ATOM 0 H GLN A 124 -10.471 -4.124 2.729 1.00 0.00 H new ATOM 0 HA GLN A 124 -12.820 -3.010 1.757 1.00 0.00 H new ATOM 0 HB2 GLN A 124 -12.237 -5.846 2.685 1.00 0.00 H new ATOM 0 HB3 GLN A 124 -13.686 -5.383 1.814 1.00 0.00 H new ATOM 0 HG2 GLN A 124 -10.855 -5.068 0.750 1.00 0.00 H new ATOM 0 HG3 GLN A 124 -11.912 -6.417 0.383 1.00 0.00 H new ATOM 0 HE21 GLN A 124 -10.861 -5.048 -1.714 1.00 0.00 H new ATOM 0 HE22 GLN A 124 -12.109 -4.075 -2.501 1.00 0.00 H new ATOM 2003 N ASP A 125 -13.148 -4.196 4.872 1.00 0.00 N ATOM 2004 CA ASP A 125 -13.974 -4.121 6.090 1.00 0.00 C ATOM 2005 C ASP A 125 -13.865 -2.770 6.825 1.00 0.00 C ATOM 2006 O ASP A 125 -14.644 -2.496 7.737 1.00 0.00 O ATOM 2007 CB ASP A 125 -13.576 -5.276 7.015 1.00 0.00 C ATOM 2008 CG ASP A 125 -14.577 -5.506 8.156 1.00 0.00 C ATOM 2009 OD1 ASP A 125 -15.760 -5.788 7.858 1.00 0.00 O ATOM 2010 OD2 ASP A 125 -14.179 -5.457 9.345 1.00 0.00 O ATOM 0 H ASP A 125 -12.305 -4.760 4.983 1.00 0.00 H new ATOM 0 HA ASP A 125 -15.019 -4.205 5.792 1.00 0.00 H new ATOM 0 HB2 ASP A 125 -13.487 -6.190 6.428 1.00 0.00 H new ATOM 0 HB3 ASP A 125 -12.592 -5.072 7.438 1.00 0.00 H new ATOM 2015 N HIS A 126 -12.938 -1.901 6.411 1.00 0.00 N ATOM 2016 CA HIS A 126 -12.886 -0.503 6.853 1.00 0.00 C ATOM 2017 C HIS A 126 -13.818 0.382 6.019 1.00 0.00 C ATOM 2018 O HIS A 126 -14.503 1.235 6.577 1.00 0.00 O ATOM 2019 CB HIS A 126 -11.445 0.022 6.835 1.00 0.00 C ATOM 2020 CG HIS A 126 -11.363 1.503 7.117 1.00 0.00 C ATOM 2021 ND1 HIS A 126 -11.043 2.483 6.175 1.00 0.00 N ATOM 2022 CD2 HIS A 126 -11.669 2.111 8.299 1.00 0.00 C ATOM 2023 CE1 HIS A 126 -11.159 3.660 6.811 1.00 0.00 C ATOM 2024 NE2 HIS A 126 -11.543 3.465 8.082 1.00 0.00 N ATOM 0 H HIS A 126 -12.197 -2.149 5.755 1.00 0.00 H new ATOM 0 HA HIS A 126 -13.241 -0.463 7.883 1.00 0.00 H new ATOM 0 HB2 HIS A 126 -10.856 -0.518 7.576 1.00 0.00 H new ATOM 0 HB3 HIS A 126 -10.999 -0.184 5.862 1.00 0.00 H new ATOM 0 HD2 HIS A 126 -11.953 1.627 9.222 1.00 0.00 H new ATOM 0 HE1 HIS A 126 -10.970 4.625 6.364 1.00 0.00 H new ATOM 0 HE2 HIS A 126 -11.713 4.197 8.772 1.00 0.00 H new ATOM 2032 N PHE A 127 -13.911 0.145 4.707 1.00 0.00 N ATOM 2033 CA PHE A 127 -14.790 0.903 3.817 1.00 0.00 C ATOM 2034 C PHE A 127 -16.217 0.329 3.685 1.00 0.00 C ATOM 2035 O PHE A 127 -17.113 1.061 3.260 1.00 0.00 O ATOM 2036 CB PHE A 127 -14.090 1.137 2.468 1.00 0.00 C ATOM 2037 CG PHE A 127 -12.988 2.186 2.541 1.00 0.00 C ATOM 2038 CD1 PHE A 127 -11.633 1.809 2.484 1.00 0.00 C ATOM 2039 CD2 PHE A 127 -13.317 3.548 2.703 1.00 0.00 C ATOM 2040 CE1 PHE A 127 -10.618 2.775 2.604 1.00 0.00 C ATOM 2041 CE2 PHE A 127 -12.302 4.514 2.826 1.00 0.00 C ATOM 2042 CZ PHE A 127 -10.954 4.126 2.784 1.00 0.00 C ATOM 0 H PHE A 127 -13.375 -0.582 4.232 1.00 0.00 H new ATOM 0 HA PHE A 127 -14.963 1.873 4.283 1.00 0.00 H new ATOM 0 HB2 PHE A 127 -13.665 0.196 2.118 1.00 0.00 H new ATOM 0 HB3 PHE A 127 -14.830 1.447 1.730 1.00 0.00 H new ATOM 0 HD1 PHE A 127 -11.371 0.770 2.347 1.00 0.00 H new ATOM 0 HD2 PHE A 127 -14.353 3.851 2.733 1.00 0.00 H new ATOM 0 HE1 PHE A 127 -9.581 2.478 2.558 1.00 0.00 H new ATOM 0 HE2 PHE A 127 -12.560 5.555 2.953 1.00 0.00 H new ATOM 0 HZ PHE A 127 -10.175 4.867 2.890 1.00 0.00 H new ATOM 2052 N LYS A 128 -16.475 -0.928 4.089 1.00 0.00 N ATOM 2053 CA LYS A 128 -17.786 -1.599 3.916 1.00 0.00 C ATOM 2054 C LYS A 128 -18.952 -0.925 4.647 1.00 0.00 C ATOM 2055 O LYS A 128 -20.096 -1.042 4.207 1.00 0.00 O ATOM 2056 CB LYS A 128 -17.694 -3.112 4.221 1.00 0.00 C ATOM 2057 CG LYS A 128 -17.595 -3.525 5.701 1.00 0.00 C ATOM 2058 CD LYS A 128 -18.966 -3.778 6.334 1.00 0.00 C ATOM 2059 CE LYS A 128 -18.931 -3.979 7.852 1.00 0.00 C ATOM 2060 NZ LYS A 128 -18.430 -5.321 8.243 1.00 0.00 N ATOM 0 H LYS A 128 -15.778 -1.515 4.548 1.00 0.00 H new ATOM 0 HA LYS A 128 -18.030 -1.484 2.860 1.00 0.00 H new ATOM 0 HB2 LYS A 128 -18.571 -3.597 3.792 1.00 0.00 H new ATOM 0 HB3 LYS A 128 -16.823 -3.510 3.700 1.00 0.00 H new ATOM 0 HG2 LYS A 128 -16.989 -4.427 5.783 1.00 0.00 H new ATOM 0 HG3 LYS A 128 -17.080 -2.743 6.259 1.00 0.00 H new ATOM 0 HD2 LYS A 128 -19.620 -2.936 6.106 1.00 0.00 H new ATOM 0 HD3 LYS A 128 -19.409 -4.660 5.872 1.00 0.00 H new ATOM 0 HE2 LYS A 128 -18.297 -3.214 8.301 1.00 0.00 H new ATOM 0 HE3 LYS A 128 -19.934 -3.839 8.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 -18.790 -5.564 9.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 -18.758 -6.028 7.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 -17.390 -5.312 8.261 1.00 0.00 H new ATOM 2074 N TRP A 129 -18.673 -0.235 5.757 1.00 0.00 N ATOM 2075 CA TRP A 129 -19.672 0.433 6.609 1.00 0.00 C ATOM 2076 C TRP A 129 -19.773 1.957 6.368 1.00 0.00 C ATOM 2077 O TRP A 129 -20.498 2.657 7.078 1.00 0.00 O ATOM 2078 CB TRP A 129 -19.409 0.037 8.072 1.00 0.00 C ATOM 2079 CG TRP A 129 -18.026 0.312 8.581 1.00 0.00 C ATOM 2080 CD1 TRP A 129 -16.982 -0.551 8.565 1.00 0.00 C ATOM 2081 CD2 TRP A 129 -17.496 1.559 9.127 1.00 0.00 C ATOM 2082 NE1 TRP A 129 -15.860 0.071 9.060 1.00 0.00 N ATOM 2083 CE2 TRP A 129 -16.101 1.392 9.377 1.00 0.00 C ATOM 2084 CE3 TRP A 129 -18.046 2.834 9.370 1.00 0.00 C ATOM 2085 CZ2 TRP A 129 -15.285 2.449 9.811 1.00 0.00 C ATOM 2086 CZ3 TRP A 129 -17.236 3.908 9.789 1.00 0.00 C ATOM 2087 CH2 TRP A 129 -15.856 3.721 9.999 1.00 0.00 C ATOM 0 H TRP A 129 -17.720 -0.120 6.101 1.00 0.00 H new ATOM 0 HA TRP A 129 -20.667 0.084 6.334 1.00 0.00 H new ATOM 0 HB2 TRP A 129 -20.121 0.565 8.706 1.00 0.00 H new ATOM 0 HB3 TRP A 129 -19.612 -1.028 8.183 1.00 0.00 H new ATOM 0 HD1 TRP A 129 -17.024 -1.572 8.216 1.00 0.00 H new ATOM 0 HE1 TRP A 129 -14.957 -0.389 9.179 1.00 0.00 H new ATOM 0 HE3 TRP A 129 -19.106 2.990 9.233 1.00 0.00 H new ATOM 0 HZ2 TRP A 129 -14.234 2.288 9.998 1.00 0.00 H new ATOM 0 HZ3 TRP A 129 -17.676 4.881 9.950 1.00 0.00 H new ATOM 0 HH2 TRP A 129 -15.237 4.552 10.304 1.00 0.00 H new ATOM 2098 N VAL A 130 -19.071 2.469 5.351 1.00 0.00 N ATOM 2099 CA VAL A 130 -18.958 3.895 4.976 1.00 0.00 C ATOM 2100 C VAL A 130 -19.196 4.077 3.466 1.00 0.00 C ATOM 2101 O VAL A 130 -19.704 3.171 2.800 1.00 0.00 O ATOM 2102 CB VAL A 130 -17.593 4.499 5.429 1.00 0.00 C ATOM 2103 CG1 VAL A 130 -17.876 5.612 6.445 1.00 0.00 C ATOM 2104 CG2 VAL A 130 -16.604 3.532 6.074 1.00 0.00 C ATOM 0 H VAL A 130 -18.532 1.869 4.727 1.00 0.00 H new ATOM 0 HA VAL A 130 -19.735 4.449 5.503 1.00 0.00 H new ATOM 0 HB VAL A 130 -17.117 4.840 4.510 1.00 0.00 H new ATOM 0 HG11 VAL A 130 -16.935 6.050 6.777 1.00 0.00 H new ATOM 0 HG12 VAL A 130 -18.490 6.382 5.979 1.00 0.00 H new ATOM 0 HG13 VAL A 130 -18.405 5.196 7.303 1.00 0.00 H new ATOM 0 HG21 VAL A 130 -15.695 4.069 6.345 1.00 0.00 H new ATOM 0 HG22 VAL A 130 -17.050 3.098 6.969 1.00 0.00 H new ATOM 0 HG23 VAL A 130 -16.360 2.737 5.369 1.00 0.00 H new