USER MOD reduce.3.24.130724 H: found=0, std=0, add=881, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 882 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 97 GLN : amide:sc= 0.2 K(o=0.69,f=-4.5!) USER MOD Set 1.2: A 103 SER OG : rot -75:sc= 0.487 USER MOD Set 2.1: A 9 SER OG : rot 116:sc= 2.02 USER MOD Set 2.2: A 51 SER OG : rot 180:sc= -0.837 USER MOD Set 3.1: A 18 SER OG : rot -8:sc= 0.614 USER MOD Set 3.2: A 44 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 12 CYS SG : rot -14:sc= -2.92! USER MOD Set 4.2: A 126 HIS : no HD1:sc= -1.9 K(o=-4.8,f=-14!) USER MOD Single : A 14 LYS NZ :NH3+ 153:sc= -0.16 (180deg=-0.957) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot -170:sc= -0.127 USER MOD Single : A 37 LYS NZ :NH3+ -108:sc= 0.232 (180deg=-0.772!) USER MOD Single : A 40 GLN : amide:sc= -0.351 K(o=-0.35,f=-2.7!) USER MOD Single : A 50 THR OG1 : rot 180:sc= -0.0876 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 160:sc= 0.0894 (180deg=-1.14) USER MOD Single : A 65 SER OG : rot -63:sc= 1.11 USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 GLN : amide:sc= -0.664 K(o=-0.66,f=-6.6!) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 THR OG1 : rot 180:sc= -0.075 USER MOD Single : A 86 THR OG1 : rot 180:sc= -0.464 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 139:sc= 0.28 USER MOD Single : A 91 TYR OH : rot 30:sc= -0.659 USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 111 THR OG1 : rot 180:sc= 0.143 USER MOD Single : A 120 ASN : amide:sc= -0.0204 K(o=-0.02,f=-1.5!) USER MOD Single : A 122 SER OG : rot -87:sc= 0.524 USER MOD Single : A 124 GLN : amide:sc= -1.49! X(o=-1.5!,f=-1.2) USER MOD Single : A 128 LYS NZ :NH3+ -153:sc= -0.337 (180deg=-1.4!) USER MOD ----------------------------------------------------------------- ATOM 125 N SER A 9 3.782 15.065 4.677 1.00 0.00 N ATOM 126 CA SER A 9 2.727 14.072 4.580 1.00 0.00 C ATOM 127 C SER A 9 2.630 13.522 3.165 1.00 0.00 C ATOM 128 O SER A 9 2.424 14.270 2.209 1.00 0.00 O ATOM 129 CB SER A 9 1.383 14.676 4.997 1.00 0.00 C ATOM 130 OG SER A 9 0.573 13.718 5.656 1.00 0.00 O ATOM 0 HA SER A 9 2.973 13.253 5.256 1.00 0.00 H new ATOM 0 HB2 SER A 9 1.553 15.527 5.656 1.00 0.00 H new ATOM 0 HB3 SER A 9 0.862 15.053 4.117 1.00 0.00 H new ATOM 0 HG SER A 9 0.421 14.000 6.582 1.00 0.00 H new ATOM 136 N VAL A 10 2.780 12.213 3.037 1.00 0.00 N ATOM 137 CA VAL A 10 2.708 11.557 1.738 1.00 0.00 C ATOM 138 C VAL A 10 1.422 11.928 0.980 1.00 0.00 C ATOM 139 O VAL A 10 1.455 12.136 -0.230 1.00 0.00 O ATOM 140 CB VAL A 10 2.769 10.026 1.894 1.00 0.00 C ATOM 141 CG1 VAL A 10 4.092 9.597 2.509 1.00 0.00 C ATOM 142 CG2 VAL A 10 1.597 9.523 2.727 1.00 0.00 C ATOM 0 H VAL A 10 2.953 11.581 3.819 1.00 0.00 H new ATOM 0 HA VAL A 10 3.566 11.905 1.163 1.00 0.00 H new ATOM 0 HB VAL A 10 2.698 9.580 0.902 1.00 0.00 H new ATOM 0 HG11 VAL A 10 4.112 8.512 2.609 1.00 0.00 H new ATOM 0 HG12 VAL A 10 4.913 9.917 1.867 1.00 0.00 H new ATOM 0 HG13 VAL A 10 4.201 10.054 3.492 1.00 0.00 H new ATOM 0 HG21 VAL A 10 1.659 8.439 2.825 1.00 0.00 H new ATOM 0 HG22 VAL A 10 1.631 9.979 3.716 1.00 0.00 H new ATOM 0 HG23 VAL A 10 0.661 9.790 2.237 1.00 0.00 H new ATOM 152 N LEU A 11 0.297 12.014 1.697 1.00 0.00 N ATOM 153 CA LEU A 11 -0.990 12.366 1.099 1.00 0.00 C ATOM 154 C LEU A 11 -1.394 11.396 -0.007 1.00 0.00 C ATOM 155 O LEU A 11 -2.021 11.787 -0.992 1.00 0.00 O ATOM 156 CB LEU A 11 -0.965 13.805 0.569 1.00 0.00 C ATOM 157 CG LEU A 11 -0.376 13.993 -0.837 1.00 0.00 C ATOM 158 CD1 LEU A 11 -1.428 14.531 -1.799 1.00 0.00 C ATOM 159 CD2 LEU A 11 0.831 14.921 -0.786 1.00 0.00 C ATOM 0 H LEU A 11 0.255 11.842 2.702 1.00 0.00 H new ATOM 0 HA LEU A 11 -1.741 12.293 1.886 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -1.985 14.189 0.569 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -0.394 14.418 1.266 1.00 0.00 H new ATOM 0 HG LEU A 11 -0.050 13.020 -1.205 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -0.987 14.656 -2.788 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -2.260 13.829 -1.859 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -1.791 15.494 -1.440 1.00 0.00 H new ATOM 0 HD21 LEU A 11 1.238 15.045 -1.790 1.00 0.00 H new ATOM 0 HD22 LEU A 11 0.527 15.892 -0.395 1.00 0.00 H new ATOM 0 HD23 LEU A 11 1.593 14.491 -0.136 1.00 0.00 H new ATOM 171 N CYS A 12 -1.038 10.129 0.164 1.00 0.00 N ATOM 172 CA CYS A 12 -1.371 9.103 -0.819 1.00 0.00 C ATOM 173 C CYS A 12 -2.806 8.615 -0.634 1.00 0.00 C ATOM 174 O CYS A 12 -3.264 8.409 0.490 1.00 0.00 O ATOM 175 CB CYS A 12 -0.405 7.927 -0.717 1.00 0.00 C ATOM 176 SG CYS A 12 1.333 8.395 -0.824 1.00 0.00 S ATOM 0 H CYS A 12 -0.519 9.786 0.973 1.00 0.00 H new ATOM 0 HA CYS A 12 -1.281 9.549 -1.810 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -0.574 7.412 0.228 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -0.629 7.216 -1.512 1.00 0.00 H new ATOM 0 HG CYS A 12 1.428 9.614 -1.267 1.00 0.00 H new ATOM 182 N VAL A 13 -3.498 8.423 -1.753 1.00 0.00 N ATOM 183 CA VAL A 13 -4.885 7.958 -1.747 1.00 0.00 C ATOM 184 C VAL A 13 -5.191 7.139 -3.000 1.00 0.00 C ATOM 185 O VAL A 13 -4.497 7.250 -4.009 1.00 0.00 O ATOM 186 CB VAL A 13 -5.877 9.145 -1.693 1.00 0.00 C ATOM 187 CG1 VAL A 13 -5.680 9.968 -0.428 1.00 0.00 C ATOM 188 CG2 VAL A 13 -5.727 10.019 -2.935 1.00 0.00 C ATOM 0 H VAL A 13 -3.118 8.584 -2.686 1.00 0.00 H new ATOM 0 HA VAL A 13 -5.006 7.340 -0.857 1.00 0.00 H new ATOM 0 HB VAL A 13 -6.889 8.741 -1.673 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -6.390 10.795 -0.417 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -5.844 9.337 0.446 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -4.664 10.362 -0.405 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -6.431 10.849 -2.883 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -4.710 10.408 -2.985 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -5.933 9.425 -3.825 1.00 0.00 H new ATOM 198 N LYS A 14 -6.245 6.330 -2.939 1.00 0.00 N ATOM 199 CA LYS A 14 -6.643 5.516 -4.078 1.00 0.00 C ATOM 200 C LYS A 14 -7.958 4.804 -3.792 1.00 0.00 C ATOM 201 O LYS A 14 -7.989 3.794 -3.088 1.00 0.00 O ATOM 202 CB LYS A 14 -5.561 4.498 -4.430 1.00 0.00 C ATOM 203 CG LYS A 14 -5.675 3.981 -5.855 1.00 0.00 C ATOM 204 CD LYS A 14 -5.018 4.929 -6.846 1.00 0.00 C ATOM 205 CE LYS A 14 -3.513 4.719 -6.907 1.00 0.00 C ATOM 206 NZ LYS A 14 -3.011 4.705 -8.309 1.00 0.00 N ATOM 0 H LYS A 14 -6.836 6.222 -2.115 1.00 0.00 H new ATOM 0 HA LYS A 14 -6.780 6.180 -4.932 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -4.581 4.955 -4.292 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -5.621 3.658 -3.738 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -5.208 2.999 -5.925 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -6.726 3.853 -6.114 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -5.448 4.777 -7.836 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -5.231 5.959 -6.561 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -3.013 5.511 -6.350 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -3.258 3.778 -6.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -2.019 5.015 -8.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -3.079 3.741 -8.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -3.585 5.349 -8.890 1.00 0.00 H new ATOM 220 N PRO A 15 -9.070 5.333 -4.334 1.00 0.00 N ATOM 221 CA PRO A 15 -10.398 4.755 -4.135 1.00 0.00 C ATOM 222 C PRO A 15 -10.582 3.435 -4.879 1.00 0.00 C ATOM 223 O PRO A 15 -11.469 2.646 -4.553 1.00 0.00 O ATOM 224 CB PRO A 15 -11.341 5.826 -4.690 1.00 0.00 C ATOM 225 CG PRO A 15 -10.529 6.575 -5.684 1.00 0.00 C ATOM 226 CD PRO A 15 -9.114 6.543 -5.177 1.00 0.00 C ATOM 0 HA PRO A 15 -10.580 4.511 -3.088 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -12.218 5.377 -5.155 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -11.701 6.483 -3.899 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -10.600 6.116 -6.670 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -10.884 7.601 -5.784 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -8.397 6.486 -5.996 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -8.874 7.439 -4.604 1.00 0.00 H new ATOM 234 N ASP A 16 -9.738 3.200 -5.877 1.00 0.00 N ATOM 235 CA ASP A 16 -9.808 1.976 -6.664 1.00 0.00 C ATOM 236 C ASP A 16 -8.601 1.085 -6.392 1.00 0.00 C ATOM 237 O ASP A 16 -7.549 1.250 -7.007 1.00 0.00 O ATOM 238 CB ASP A 16 -9.880 2.314 -8.156 1.00 0.00 C ATOM 239 CG ASP A 16 -10.972 1.549 -8.879 1.00 0.00 C ATOM 240 OD1 ASP A 16 -11.535 0.607 -8.283 1.00 0.00 O ATOM 241 OD2 ASP A 16 -11.262 1.893 -10.044 1.00 0.00 O ATOM 0 H ASP A 16 -8.997 3.842 -6.160 1.00 0.00 H new ATOM 0 HA ASP A 16 -10.708 1.435 -6.374 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -10.053 3.384 -8.274 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -8.919 2.093 -8.621 1.00 0.00 H new ATOM 246 N VAL A 17 -8.754 0.145 -5.461 1.00 0.00 N ATOM 247 CA VAL A 17 -7.672 -0.773 -5.113 1.00 0.00 C ATOM 248 C VAL A 17 -8.209 -2.037 -4.447 1.00 0.00 C ATOM 249 O VAL A 17 -9.273 -2.023 -3.829 1.00 0.00 O ATOM 250 CB VAL A 17 -6.639 -0.106 -4.181 1.00 0.00 C ATOM 251 CG1 VAL A 17 -7.266 0.254 -2.843 1.00 0.00 C ATOM 252 CG2 VAL A 17 -5.432 -1.014 -3.987 1.00 0.00 C ATOM 0 H VAL A 17 -9.616 -0.001 -4.935 1.00 0.00 H new ATOM 0 HA VAL A 17 -7.180 -1.044 -6.047 1.00 0.00 H new ATOM 0 HB VAL A 17 -6.302 0.818 -4.651 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -6.517 0.723 -2.205 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -8.092 0.947 -3.003 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -7.639 -0.650 -2.361 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -4.713 -0.528 -3.327 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -5.753 -1.956 -3.543 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -4.964 -1.209 -4.952 1.00 0.00 H new ATOM 262 N SER A 18 -7.466 -3.132 -4.577 1.00 0.00 N ATOM 263 CA SER A 18 -7.871 -4.403 -3.988 1.00 0.00 C ATOM 264 C SER A 18 -6.797 -4.937 -3.049 1.00 0.00 C ATOM 265 O SER A 18 -5.623 -5.010 -3.413 1.00 0.00 O ATOM 266 CB SER A 18 -8.154 -5.429 -5.087 1.00 0.00 C ATOM 267 OG SER A 18 -9.174 -6.330 -4.692 1.00 0.00 O ATOM 0 H SER A 18 -6.582 -3.164 -5.084 1.00 0.00 H new ATOM 0 HA SER A 18 -8.780 -4.233 -3.412 1.00 0.00 H new ATOM 0 HB2 SER A 18 -8.452 -4.915 -6.001 1.00 0.00 H new ATOM 0 HB3 SER A 18 -7.243 -5.983 -5.315 1.00 0.00 H new ATOM 0 HG SER A 18 -9.389 -6.187 -3.747 1.00 0.00 H new ATOM 273 N VAL A 19 -7.205 -5.317 -1.842 1.00 0.00 N ATOM 274 CA VAL A 19 -6.271 -5.851 -0.863 1.00 0.00 C ATOM 275 C VAL A 19 -6.468 -7.346 -0.691 1.00 0.00 C ATOM 276 O VAL A 19 -7.592 -7.843 -0.714 1.00 0.00 O ATOM 277 CB VAL A 19 -6.411 -5.172 0.509 1.00 0.00 C ATOM 278 CG1 VAL A 19 -5.676 -5.977 1.573 1.00 0.00 C ATOM 279 CG2 VAL A 19 -5.894 -3.743 0.456 1.00 0.00 C ATOM 0 H VAL A 19 -8.172 -5.265 -1.522 1.00 0.00 H new ATOM 0 HA VAL A 19 -5.272 -5.647 -1.248 1.00 0.00 H new ATOM 0 HB VAL A 19 -7.468 -5.137 0.774 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -5.783 -5.485 2.540 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -6.099 -6.980 1.627 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -4.619 -6.043 1.314 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -6.002 -3.280 1.437 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -4.842 -3.747 0.171 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -6.467 -3.176 -0.278 1.00 0.00 H new ATOM 289 N TYR A 20 -5.359 -8.045 -0.525 1.00 0.00 N ATOM 290 CA TYR A 20 -5.367 -9.486 -0.358 1.00 0.00 C ATOM 291 C TYR A 20 -4.875 -9.877 1.037 1.00 0.00 C ATOM 292 O TYR A 20 -4.229 -9.085 1.724 1.00 0.00 O ATOM 293 CB TYR A 20 -4.487 -10.117 -1.440 1.00 0.00 C ATOM 294 CG TYR A 20 -5.082 -10.043 -2.833 1.00 0.00 C ATOM 295 CD1 TYR A 20 -5.556 -8.841 -3.350 1.00 0.00 C ATOM 296 CD2 TYR A 20 -5.170 -11.175 -3.630 1.00 0.00 C ATOM 297 CE1 TYR A 20 -6.101 -8.775 -4.616 1.00 0.00 C ATOM 298 CE2 TYR A 20 -5.715 -11.117 -4.897 1.00 0.00 C ATOM 299 CZ TYR A 20 -6.179 -9.914 -5.383 1.00 0.00 C ATOM 300 OH TYR A 20 -6.719 -9.852 -6.641 1.00 0.00 O ATOM 0 H TYR A 20 -4.428 -7.629 -0.502 1.00 0.00 H new ATOM 0 HA TYR A 20 -6.388 -9.854 -0.460 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -3.517 -9.619 -1.442 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -4.308 -11.162 -1.186 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -5.496 -7.945 -2.750 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -4.805 -12.119 -3.252 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -6.464 -7.834 -5.002 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -5.777 -12.009 -5.503 1.00 0.00 H new ATOM 0 HH TYR A 20 -6.699 -10.742 -7.050 1.00 0.00 H new ATOM 310 N ARG A 21 -5.193 -11.101 1.445 1.00 0.00 N ATOM 311 CA ARG A 21 -4.792 -11.612 2.757 1.00 0.00 C ATOM 312 C ARG A 21 -4.037 -12.932 2.613 1.00 0.00 C ATOM 313 O ARG A 21 -4.550 -13.896 2.044 1.00 0.00 O ATOM 314 CB ARG A 21 -6.019 -11.799 3.660 1.00 0.00 C ATOM 315 CG ARG A 21 -5.676 -12.104 5.109 1.00 0.00 C ATOM 316 CD ARG A 21 -6.713 -13.019 5.743 1.00 0.00 C ATOM 317 NE ARG A 21 -8.054 -12.437 5.710 1.00 0.00 N ATOM 318 CZ ARG A 21 -9.178 -13.147 5.805 1.00 0.00 C ATOM 319 NH1 ARG A 21 -9.131 -14.467 5.942 1.00 0.00 N ATOM 320 NH2 ARG A 21 -10.354 -12.535 5.766 1.00 0.00 N ATOM 0 H ARG A 21 -5.730 -11.763 0.885 1.00 0.00 H new ATOM 0 HA ARG A 21 -4.128 -10.881 3.218 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -6.626 -10.895 3.623 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -6.630 -12.610 3.263 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -4.694 -12.573 5.161 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -5.615 -11.174 5.674 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -6.720 -13.975 5.220 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -6.432 -13.223 6.776 1.00 0.00 H new ATOM 0 HE ARG A 21 -8.134 -11.425 5.608 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -8.230 -14.945 5.975 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -9.996 -15.003 6.014 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -10.398 -11.521 5.663 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -11.214 -13.078 5.839 1.00 0.00 H new ATOM 334 N ILE A 22 -2.814 -12.965 3.130 1.00 0.00 N ATOM 335 CA ILE A 22 -1.982 -14.160 3.057 1.00 0.00 C ATOM 336 C ILE A 22 -1.725 -14.727 4.452 1.00 0.00 C ATOM 337 O ILE A 22 -0.627 -14.594 4.995 1.00 0.00 O ATOM 338 CB ILE A 22 -0.632 -13.862 2.366 1.00 0.00 C ATOM 339 CG1 ILE A 22 -0.846 -12.971 1.136 1.00 0.00 C ATOM 340 CG2 ILE A 22 0.062 -15.157 1.973 1.00 0.00 C ATOM 341 CD1 ILE A 22 -0.283 -11.574 1.290 1.00 0.00 C ATOM 0 H ILE A 22 -2.376 -12.176 3.605 1.00 0.00 H new ATOM 0 HA ILE A 22 -2.523 -14.897 2.464 1.00 0.00 H new ATOM 0 HB ILE A 22 0.007 -13.330 3.070 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -0.384 -13.446 0.270 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -1.914 -12.902 0.930 1.00 0.00 H new ATOM 0 HG21 ILE A 22 1.011 -14.929 1.488 1.00 0.00 H new ATOM 0 HG22 ILE A 22 0.245 -15.757 2.865 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -0.572 -15.715 1.285 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -0.472 -11.003 0.381 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -0.762 -11.080 2.135 1.00 0.00 H new ATOM 0 HD13 ILE A 22 0.791 -11.632 1.465 1.00 0.00 H new ATOM 492 N ARG A 32 5.840 -16.986 -3.482 1.00 0.00 N ATOM 493 CA ARG A 32 5.688 -16.164 -4.670 1.00 0.00 C ATOM 494 C ARG A 32 4.353 -16.424 -5.361 1.00 0.00 C ATOM 495 O ARG A 32 3.834 -17.540 -5.350 1.00 0.00 O ATOM 496 CB ARG A 32 6.836 -16.443 -5.639 1.00 0.00 C ATOM 497 CG ARG A 32 6.844 -17.858 -6.189 1.00 0.00 C ATOM 498 CD ARG A 32 7.880 -18.722 -5.492 1.00 0.00 C ATOM 499 NE ARG A 32 8.072 -19.996 -6.180 1.00 0.00 N ATOM 500 CZ ARG A 32 7.780 -21.182 -5.652 1.00 0.00 C ATOM 501 NH1 ARG A 32 7.275 -21.274 -4.427 1.00 0.00 N ATOM 502 NH2 ARG A 32 7.991 -22.285 -6.357 1.00 0.00 N ATOM 0 HA ARG A 32 5.710 -15.118 -4.364 1.00 0.00 H new ATOM 0 HB2 ARG A 32 6.776 -15.740 -6.470 1.00 0.00 H new ATOM 0 HB3 ARG A 32 7.782 -16.255 -5.131 1.00 0.00 H new ATOM 0 HG2 ARG A 32 5.856 -18.302 -6.066 1.00 0.00 H new ATOM 0 HG3 ARG A 32 7.051 -17.832 -7.259 1.00 0.00 H new ATOM 0 HD2 ARG A 32 8.828 -18.187 -5.446 1.00 0.00 H new ATOM 0 HD3 ARG A 32 7.568 -18.907 -4.464 1.00 0.00 H new ATOM 0 HE ARG A 32 8.454 -19.975 -7.125 1.00 0.00 H new ATOM 0 HH11 ARG A 32 7.107 -20.430 -3.880 1.00 0.00 H new ATOM 0 HH12 ARG A 32 7.055 -22.189 -4.033 1.00 0.00 H new ATOM 0 HH21 ARG A 32 8.376 -22.222 -7.300 1.00 0.00 H new ATOM 0 HH22 ARG A 32 7.769 -23.196 -5.957 1.00 0.00 H new ATOM 516 N ALA A 33 3.807 -15.374 -5.967 1.00 0.00 N ATOM 517 CA ALA A 33 2.536 -15.459 -6.675 1.00 0.00 C ATOM 518 C ALA A 33 2.612 -16.365 -7.904 1.00 0.00 C ATOM 519 O ALA A 33 1.609 -16.570 -8.589 1.00 0.00 O ATOM 520 CB ALA A 33 2.097 -14.075 -7.086 1.00 0.00 C ATOM 0 H ALA A 33 4.231 -14.446 -5.981 1.00 0.00 H new ATOM 0 HA ALA A 33 1.808 -15.901 -5.994 1.00 0.00 H new ATOM 0 HB1 ALA A 33 1.146 -14.137 -7.616 1.00 0.00 H new ATOM 0 HB2 ALA A 33 1.978 -13.453 -6.199 1.00 0.00 H new ATOM 0 HB3 ALA A 33 2.849 -13.634 -7.741 1.00 0.00 H new ATOM 526 N SER A 34 3.793 -16.914 -8.179 1.00 0.00 N ATOM 527 CA SER A 34 3.965 -17.801 -9.320 1.00 0.00 C ATOM 528 C SER A 34 3.011 -18.979 -9.206 1.00 0.00 C ATOM 529 O SER A 34 2.480 -19.465 -10.202 1.00 0.00 O ATOM 530 CB SER A 34 5.407 -18.298 -9.401 1.00 0.00 C ATOM 531 OG SER A 34 5.881 -18.268 -10.737 1.00 0.00 O ATOM 0 H SER A 34 4.638 -16.760 -7.629 1.00 0.00 H new ATOM 0 HA SER A 34 3.741 -17.246 -10.231 1.00 0.00 H new ATOM 0 HB2 SER A 34 6.045 -17.678 -8.771 1.00 0.00 H new ATOM 0 HB3 SER A 34 5.467 -19.315 -9.013 1.00 0.00 H new ATOM 0 HG SER A 34 6.742 -18.734 -10.789 1.00 0.00 H new ATOM 537 N ASP A 35 2.798 -19.429 -7.976 1.00 0.00 N ATOM 538 CA ASP A 35 1.905 -20.549 -7.722 1.00 0.00 C ATOM 539 C ASP A 35 1.145 -20.373 -6.412 1.00 0.00 C ATOM 540 O ASP A 35 0.488 -21.301 -5.942 1.00 0.00 O ATOM 541 CB ASP A 35 2.691 -21.861 -7.690 1.00 0.00 C ATOM 542 CG ASP A 35 1.787 -23.077 -7.721 1.00 0.00 C ATOM 543 OD1 ASP A 35 1.423 -23.517 -8.830 1.00 0.00 O ATOM 544 OD2 ASP A 35 1.442 -23.587 -6.635 1.00 0.00 O ATOM 0 H ASP A 35 3.231 -19.035 -7.141 1.00 0.00 H new ATOM 0 HA ASP A 35 1.180 -20.581 -8.535 1.00 0.00 H new ATOM 0 HB2 ASP A 35 3.371 -21.895 -8.542 1.00 0.00 H new ATOM 0 HB3 ASP A 35 3.306 -21.891 -6.790 1.00 0.00 H new ATOM 549 N TRP A 36 1.223 -19.180 -5.824 1.00 0.00 N ATOM 550 CA TRP A 36 0.525 -18.912 -4.574 1.00 0.00 C ATOM 551 C TRP A 36 -0.949 -18.611 -4.839 1.00 0.00 C ATOM 552 O TRP A 36 -1.832 -19.156 -4.175 1.00 0.00 O ATOM 553 CB TRP A 36 1.183 -17.744 -3.832 1.00 0.00 C ATOM 554 CG TRP A 36 0.422 -17.285 -2.621 1.00 0.00 C ATOM 555 CD1 TRP A 36 0.278 -16.000 -2.184 1.00 0.00 C ATOM 556 CD2 TRP A 36 -0.297 -18.108 -1.693 1.00 0.00 C ATOM 557 NE1 TRP A 36 -0.486 -15.972 -1.043 1.00 0.00 N ATOM 558 CE2 TRP A 36 -0.854 -17.253 -0.723 1.00 0.00 C ATOM 559 CE3 TRP A 36 -0.525 -19.484 -1.589 1.00 0.00 C ATOM 560 CZ2 TRP A 36 -1.626 -17.730 0.336 1.00 0.00 C ATOM 561 CZ3 TRP A 36 -1.290 -19.954 -0.538 1.00 0.00 C ATOM 562 CH2 TRP A 36 -1.833 -19.081 0.411 1.00 0.00 C ATOM 0 H TRP A 36 1.758 -18.393 -6.191 1.00 0.00 H new ATOM 0 HA TRP A 36 0.590 -19.801 -3.946 1.00 0.00 H new ATOM 0 HB2 TRP A 36 2.187 -18.040 -3.527 1.00 0.00 H new ATOM 0 HB3 TRP A 36 1.292 -16.905 -4.520 1.00 0.00 H new ATOM 0 HD1 TRP A 36 0.703 -15.132 -2.665 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -0.738 -15.134 -0.519 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -0.111 -20.167 -2.316 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -2.045 -17.058 1.070 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -1.472 -21.015 -0.448 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -2.427 -19.481 1.219 1.00 0.00 H new ATOM 573 N LYS A 37 -1.209 -17.742 -5.814 1.00 0.00 N ATOM 574 CA LYS A 37 -2.580 -17.368 -6.166 1.00 0.00 C ATOM 575 C LYS A 37 -3.327 -16.848 -4.943 1.00 0.00 C ATOM 576 O LYS A 37 -2.853 -16.981 -3.817 1.00 0.00 O ATOM 577 CB LYS A 37 -3.327 -18.564 -6.757 1.00 0.00 C ATOM 578 CG LYS A 37 -4.696 -18.209 -7.315 1.00 0.00 C ATOM 579 CD LYS A 37 -4.983 -18.937 -8.618 1.00 0.00 C ATOM 580 CE LYS A 37 -5.483 -17.979 -9.689 1.00 0.00 C ATOM 581 NZ LYS A 37 -6.971 -17.906 -9.723 1.00 0.00 N ATOM 0 H LYS A 37 -0.490 -17.284 -6.374 1.00 0.00 H new ATOM 0 HA LYS A 37 -2.532 -16.575 -6.913 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -2.723 -19.003 -7.551 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -3.444 -19.326 -5.986 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -5.463 -18.460 -6.582 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -4.753 -17.133 -7.480 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -4.078 -19.434 -8.966 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -5.728 -19.714 -8.446 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -5.076 -16.985 -9.505 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -5.114 -18.300 -10.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -7.323 -18.389 -10.574 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -7.361 -18.368 -8.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -7.269 -16.910 -9.742 1.00 0.00 H new ATOM 595 N LEU A 38 -4.495 -16.250 -5.163 1.00 0.00 N ATOM 596 CA LEU A 38 -5.277 -15.713 -4.061 1.00 0.00 C ATOM 597 C LEU A 38 -6.622 -15.171 -4.536 1.00 0.00 C ATOM 598 O LEU A 38 -6.789 -13.965 -4.719 1.00 0.00 O ATOM 599 CB LEU A 38 -4.484 -14.620 -3.365 1.00 0.00 C ATOM 600 CG LEU A 38 -4.660 -14.587 -1.857 1.00 0.00 C ATOM 601 CD1 LEU A 38 -4.230 -15.911 -1.249 1.00 0.00 C ATOM 602 CD2 LEU A 38 -3.886 -13.433 -1.245 1.00 0.00 C ATOM 0 H LEU A 38 -4.914 -16.127 -6.085 1.00 0.00 H new ATOM 0 HA LEU A 38 -5.482 -16.522 -3.360 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -3.426 -14.753 -3.593 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -4.780 -13.655 -3.775 1.00 0.00 H new ATOM 0 HG LEU A 38 -5.716 -14.432 -1.637 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -4.361 -15.874 -0.168 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -4.839 -16.716 -1.661 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -3.181 -16.094 -1.481 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -4.029 -13.432 -0.164 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -2.826 -13.546 -1.471 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -4.247 -12.492 -1.660 1.00 0.00 H new ATOM 614 N ASP A 39 -7.574 -16.080 -4.731 1.00 0.00 N ATOM 615 CA ASP A 39 -8.912 -15.717 -5.186 1.00 0.00 C ATOM 616 C ASP A 39 -9.851 -15.441 -4.014 1.00 0.00 C ATOM 617 O ASP A 39 -10.861 -14.754 -4.170 1.00 0.00 O ATOM 618 CB ASP A 39 -9.495 -16.838 -6.051 1.00 0.00 C ATOM 619 CG ASP A 39 -8.517 -17.334 -7.096 1.00 0.00 C ATOM 620 OD1 ASP A 39 -7.421 -16.745 -7.212 1.00 0.00 O ATOM 621 OD2 ASP A 39 -8.845 -18.311 -7.803 1.00 0.00 O ATOM 0 H ASP A 39 -7.441 -17.080 -4.580 1.00 0.00 H new ATOM 0 HA ASP A 39 -8.822 -14.803 -5.774 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -9.791 -17.670 -5.411 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -10.398 -16.479 -6.545 1.00 0.00 H new ATOM 626 N GLN A 40 -9.522 -15.980 -2.841 1.00 0.00 N ATOM 627 CA GLN A 40 -10.360 -15.786 -1.661 1.00 0.00 C ATOM 628 C GLN A 40 -9.988 -14.500 -0.922 1.00 0.00 C ATOM 629 O GLN A 40 -10.730 -13.519 -0.980 1.00 0.00 O ATOM 630 CB GLN A 40 -10.273 -16.999 -0.729 1.00 0.00 C ATOM 631 CG GLN A 40 -11.062 -18.202 -1.215 1.00 0.00 C ATOM 632 CD GLN A 40 -10.165 -19.319 -1.706 1.00 0.00 C ATOM 633 OE1 GLN A 40 -8.965 -19.336 -1.430 1.00 0.00 O ATOM 634 NE2 GLN A 40 -10.744 -20.259 -2.441 1.00 0.00 N ATOM 0 H GLN A 40 -8.690 -16.549 -2.684 1.00 0.00 H new ATOM 0 HA GLN A 40 -11.393 -15.687 -1.996 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -9.227 -17.284 -0.615 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -10.635 -16.713 0.259 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -11.690 -18.573 -0.405 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -11.729 -17.895 -2.020 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -11.742 -20.204 -2.645 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -10.191 -21.036 -2.802 1.00 0.00 H new ATOM 643 N PRO A 41 -8.840 -14.465 -0.220 1.00 0.00 N ATOM 644 CA PRO A 41 -8.420 -13.265 0.503 1.00 0.00 C ATOM 645 C PRO A 41 -7.997 -12.151 -0.453 1.00 0.00 C ATOM 646 O PRO A 41 -6.842 -12.077 -0.871 1.00 0.00 O ATOM 647 CB PRO A 41 -7.248 -13.756 1.353 1.00 0.00 C ATOM 648 CG PRO A 41 -6.699 -14.922 0.617 1.00 0.00 C ATOM 649 CD PRO A 41 -7.866 -15.565 -0.080 1.00 0.00 C ATOM 0 HA PRO A 41 -9.221 -12.828 1.100 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -6.496 -12.977 1.475 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -7.577 -14.040 2.352 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -5.942 -14.608 -0.101 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -6.219 -15.623 1.300 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -7.579 -15.971 -1.050 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -8.275 -16.390 0.503 1.00 0.00 H new ATOM 657 N ASP A 42 -8.957 -11.293 -0.797 1.00 0.00 N ATOM 658 CA ASP A 42 -8.727 -10.180 -1.709 1.00 0.00 C ATOM 659 C ASP A 42 -9.948 -9.256 -1.741 1.00 0.00 C ATOM 660 O ASP A 42 -10.688 -9.220 -2.727 1.00 0.00 O ATOM 661 CB ASP A 42 -8.423 -10.696 -3.119 1.00 0.00 C ATOM 662 CG ASP A 42 -9.570 -11.491 -3.712 1.00 0.00 C ATOM 663 OD1 ASP A 42 -9.793 -12.636 -3.267 1.00 0.00 O ATOM 664 OD2 ASP A 42 -10.242 -10.969 -4.626 1.00 0.00 O ATOM 0 H ASP A 42 -9.914 -11.352 -0.450 1.00 0.00 H new ATOM 0 HA ASP A 42 -7.867 -9.615 -1.350 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -8.197 -9.851 -3.770 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -7.531 -11.321 -3.088 1.00 0.00 H new ATOM 669 N TRP A 43 -10.163 -8.519 -0.649 1.00 0.00 N ATOM 670 CA TRP A 43 -11.301 -7.605 -0.550 1.00 0.00 C ATOM 671 C TRP A 43 -11.110 -6.383 -1.447 1.00 0.00 C ATOM 672 O TRP A 43 -9.996 -6.084 -1.878 1.00 0.00 O ATOM 673 CB TRP A 43 -11.535 -7.177 0.915 1.00 0.00 C ATOM 674 CG TRP A 43 -10.286 -6.865 1.688 1.00 0.00 C ATOM 675 CD1 TRP A 43 -9.399 -7.760 2.218 1.00 0.00 C ATOM 676 CD2 TRP A 43 -9.803 -5.565 2.046 1.00 0.00 C ATOM 677 NE1 TRP A 43 -8.390 -7.097 2.867 1.00 0.00 N ATOM 678 CE2 TRP A 43 -8.615 -5.750 2.778 1.00 0.00 C ATOM 679 CE3 TRP A 43 -10.253 -4.261 1.815 1.00 0.00 C ATOM 680 CZ2 TRP A 43 -7.875 -4.686 3.280 1.00 0.00 C ATOM 681 CZ3 TRP A 43 -9.518 -3.203 2.316 1.00 0.00 C ATOM 682 CH2 TRP A 43 -8.337 -3.424 3.042 1.00 0.00 C ATOM 0 H TRP A 43 -9.565 -8.538 0.177 1.00 0.00 H new ATOM 0 HA TRP A 43 -12.186 -8.138 -0.897 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -12.179 -6.298 0.923 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -12.074 -7.972 1.429 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -9.481 -8.834 2.137 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -7.600 -7.536 3.339 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -11.159 -4.084 1.255 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -6.966 -4.852 3.839 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -9.857 -2.192 2.146 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -7.782 -2.578 3.420 1.00 0.00 H new ATOM 693 N THR A 44 -12.205 -5.674 -1.720 1.00 0.00 N ATOM 694 CA THR A 44 -12.157 -4.481 -2.559 1.00 0.00 C ATOM 695 C THR A 44 -12.506 -3.236 -1.750 1.00 0.00 C ATOM 696 O THR A 44 -13.493 -3.220 -1.015 1.00 0.00 O ATOM 697 CB THR A 44 -13.114 -4.618 -3.748 1.00 0.00 C ATOM 698 OG1 THR A 44 -12.854 -5.811 -4.467 1.00 0.00 O ATOM 699 CG2 THR A 44 -13.019 -3.466 -4.726 1.00 0.00 C ATOM 0 H THR A 44 -13.135 -5.907 -1.372 1.00 0.00 H new ATOM 0 HA THR A 44 -11.140 -4.377 -2.937 1.00 0.00 H new ATOM 0 HB THR A 44 -14.114 -4.628 -3.315 1.00 0.00 H new ATOM 0 HG1 THR A 44 -13.476 -5.881 -5.221 1.00 0.00 H new ATOM 0 HG21 THR A 44 -13.722 -3.624 -5.544 1.00 0.00 H new ATOM 0 HG22 THR A 44 -13.261 -2.534 -4.215 1.00 0.00 H new ATOM 0 HG23 THR A 44 -12.006 -3.409 -5.124 1.00 0.00 H new ATOM 707 N GLY A 45 -11.690 -2.196 -1.886 1.00 0.00 N ATOM 708 CA GLY A 45 -11.936 -0.964 -1.156 1.00 0.00 C ATOM 709 C GLY A 45 -10.933 0.120 -1.491 1.00 0.00 C ATOM 710 O GLY A 45 -10.125 -0.034 -2.405 1.00 0.00 O ATOM 0 H GLY A 45 -10.865 -2.183 -2.486 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -12.941 -0.607 -1.381 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -11.902 -1.167 -0.086 1.00 0.00 H new ATOM 714 N ARG A 46 -10.988 1.225 -0.753 1.00 0.00 N ATOM 715 CA ARG A 46 -10.080 2.342 -0.986 1.00 0.00 C ATOM 716 C ARG A 46 -8.987 2.400 0.076 1.00 0.00 C ATOM 717 O ARG A 46 -9.230 2.124 1.251 1.00 0.00 O ATOM 718 CB ARG A 46 -10.855 3.661 -1.025 1.00 0.00 C ATOM 719 CG ARG A 46 -11.666 3.958 0.224 1.00 0.00 C ATOM 720 CD ARG A 46 -12.680 5.056 -0.038 1.00 0.00 C ATOM 721 NE ARG A 46 -13.416 5.430 1.163 1.00 0.00 N ATOM 722 CZ ARG A 46 -12.907 6.192 2.114 1.00 0.00 C ATOM 723 NH1 ARG A 46 -11.655 6.593 2.036 1.00 0.00 N ATOM 724 NH2 ARG A 46 -13.645 6.548 3.152 1.00 0.00 N ATOM 0 H ARG A 46 -11.650 1.370 0.009 1.00 0.00 H new ATOM 0 HA ARG A 46 -9.600 2.186 -1.952 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -10.150 4.476 -1.186 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -11.527 3.647 -1.883 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -12.179 3.054 0.553 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -10.999 4.258 1.033 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -12.168 5.933 -0.435 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -13.382 4.724 -0.803 1.00 0.00 H new ATOM 0 HE ARG A 46 -14.370 5.087 1.274 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -11.079 6.315 1.241 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -11.261 7.182 2.770 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -14.613 6.234 3.221 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -13.246 7.137 3.883 1.00 0.00 H new ATOM 738 N LEU A 47 -7.773 2.738 -0.353 1.00 0.00 N ATOM 739 CA LEU A 47 -6.634 2.815 0.554 1.00 0.00 C ATOM 740 C LEU A 47 -5.951 4.175 0.459 1.00 0.00 C ATOM 741 O LEU A 47 -5.790 4.726 -0.630 1.00 0.00 O ATOM 742 CB LEU A 47 -5.626 1.705 0.237 1.00 0.00 C ATOM 743 CG LEU A 47 -4.602 1.417 1.339 1.00 0.00 C ATOM 744 CD1 LEU A 47 -4.047 0.005 1.199 1.00 0.00 C ATOM 745 CD2 LEU A 47 -3.474 2.440 1.304 1.00 0.00 C ATOM 0 H LEU A 47 -7.554 2.963 -1.324 1.00 0.00 H new ATOM 0 HA LEU A 47 -7.004 2.684 1.571 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -6.175 0.788 0.025 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -5.090 1.973 -0.673 1.00 0.00 H new ATOM 0 HG LEU A 47 -5.106 1.494 2.302 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -3.321 -0.181 1.991 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -4.861 -0.715 1.277 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -3.561 -0.100 0.229 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -2.757 2.218 2.094 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -2.973 2.396 0.337 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -3.884 3.439 1.456 1.00 0.00 H new ATOM 757 N ARG A 48 -5.549 4.705 1.606 1.00 0.00 N ATOM 758 CA ARG A 48 -4.878 5.997 1.658 1.00 0.00 C ATOM 759 C ARG A 48 -3.983 6.088 2.886 1.00 0.00 C ATOM 760 O ARG A 48 -4.255 5.467 3.912 1.00 0.00 O ATOM 761 CB ARG A 48 -5.905 7.128 1.678 1.00 0.00 C ATOM 762 CG ARG A 48 -6.758 7.154 2.937 1.00 0.00 C ATOM 763 CD ARG A 48 -8.221 6.884 2.628 1.00 0.00 C ATOM 764 NE ARG A 48 -8.928 8.103 2.237 1.00 0.00 N ATOM 765 CZ ARG A 48 -9.849 8.707 2.987 1.00 0.00 C ATOM 766 NH1 ARG A 48 -10.169 8.226 4.185 1.00 0.00 N ATOM 767 NH2 ARG A 48 -10.463 9.791 2.535 1.00 0.00 N ATOM 0 H ARG A 48 -5.676 4.259 2.515 1.00 0.00 H new ATOM 0 HA ARG A 48 -4.259 6.096 0.767 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -5.385 8.081 1.582 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -6.557 7.031 0.810 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -6.391 6.408 3.641 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -6.661 8.125 3.422 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -8.293 6.149 1.826 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -8.703 6.449 3.504 1.00 0.00 H new ATOM 0 HE ARG A 48 -8.702 8.517 1.333 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -9.708 7.387 4.538 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -10.875 8.696 4.751 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -10.230 10.162 1.614 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -11.168 10.254 3.108 1.00 0.00 H new ATOM 781 N ILE A 49 -2.917 6.872 2.779 1.00 0.00 N ATOM 782 CA ILE A 49 -1.991 7.045 3.889 1.00 0.00 C ATOM 783 C ILE A 49 -1.616 8.513 4.063 1.00 0.00 C ATOM 784 O ILE A 49 -1.704 9.304 3.122 1.00 0.00 O ATOM 785 CB ILE A 49 -0.720 6.194 3.706 1.00 0.00 C ATOM 786 CG1 ILE A 49 0.025 6.592 2.432 1.00 0.00 C ATOM 787 CG2 ILE A 49 -1.085 4.719 3.669 1.00 0.00 C ATOM 788 CD1 ILE A 49 1.504 6.271 2.478 1.00 0.00 C ATOM 0 H ILE A 49 -2.674 7.396 1.938 1.00 0.00 H new ATOM 0 HA ILE A 49 -2.501 6.703 4.789 1.00 0.00 H new ATOM 0 HB ILE A 49 -0.058 6.375 4.553 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -0.425 6.080 1.581 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -0.103 7.661 2.264 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -0.181 4.124 3.539 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -1.572 4.441 4.604 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -1.764 4.533 2.837 1.00 0.00 H new ATOM 0 HD11 ILE A 49 1.972 6.579 1.543 1.00 0.00 H new ATOM 0 HD12 ILE A 49 1.966 6.804 3.309 1.00 0.00 H new ATOM 0 HD13 ILE A 49 1.639 5.198 2.615 1.00 0.00 H new ATOM 800 N THR A 50 -1.205 8.868 5.276 1.00 0.00 N ATOM 801 CA THR A 50 -0.825 10.244 5.583 1.00 0.00 C ATOM 802 C THR A 50 -0.080 10.327 6.913 1.00 0.00 C ATOM 803 O THR A 50 0.017 9.341 7.645 1.00 0.00 O ATOM 804 CB THR A 50 -2.063 11.145 5.621 1.00 0.00 C ATOM 805 OG1 THR A 50 -3.251 10.373 5.659 1.00 0.00 O ATOM 806 CG2 THR A 50 -2.160 12.076 4.430 1.00 0.00 C ATOM 0 H THR A 50 -1.126 8.223 6.062 1.00 0.00 H new ATOM 0 HA THR A 50 -0.157 10.589 4.794 1.00 0.00 H new ATOM 0 HB THR A 50 -1.955 11.743 6.526 1.00 0.00 H new ATOM 0 HG1 THR A 50 -4.028 10.970 5.684 1.00 0.00 H new ATOM 0 HG21 THR A 50 -3.059 12.687 4.518 1.00 0.00 H new ATOM 0 HG22 THR A 50 -1.283 12.723 4.401 1.00 0.00 H new ATOM 0 HG23 THR A 50 -2.208 11.489 3.513 1.00 0.00 H new ATOM 814 N SER A 51 0.445 11.510 7.216 1.00 0.00 N ATOM 815 CA SER A 51 1.181 11.727 8.456 1.00 0.00 C ATOM 816 C SER A 51 1.042 13.169 8.928 1.00 0.00 C ATOM 817 O SER A 51 1.197 14.106 8.145 1.00 0.00 O ATOM 818 CB SER A 51 2.660 11.391 8.258 1.00 0.00 C ATOM 819 OG SER A 51 3.106 11.791 6.975 1.00 0.00 O ATOM 0 H SER A 51 0.374 12.334 6.619 1.00 0.00 H new ATOM 0 HA SER A 51 0.760 11.070 9.217 1.00 0.00 H new ATOM 0 HB2 SER A 51 3.255 11.888 9.024 1.00 0.00 H new ATOM 0 HB3 SER A 51 2.812 10.319 8.381 1.00 0.00 H new ATOM 0 HG SER A 51 4.055 11.567 6.874 1.00 0.00 H new ATOM 825 N LYS A 52 0.751 13.342 10.213 1.00 0.00 N ATOM 826 CA LYS A 52 0.594 14.674 10.785 1.00 0.00 C ATOM 827 C LYS A 52 1.869 15.495 10.604 1.00 0.00 C ATOM 828 O LYS A 52 1.833 16.608 10.079 1.00 0.00 O ATOM 829 CB LYS A 52 0.239 14.575 12.271 1.00 0.00 C ATOM 830 CG LYS A 52 -1.151 15.097 12.595 1.00 0.00 C ATOM 831 CD LYS A 52 -1.630 14.603 13.950 1.00 0.00 C ATOM 832 CE LYS A 52 -2.012 13.132 13.903 1.00 0.00 C ATOM 833 NZ LYS A 52 -2.423 12.622 15.240 1.00 0.00 N ATOM 0 H LYS A 52 0.619 12.579 10.876 1.00 0.00 H new ATOM 0 HA LYS A 52 -0.218 15.177 10.260 1.00 0.00 H new ATOM 0 HB2 LYS A 52 0.311 13.534 12.586 1.00 0.00 H new ATOM 0 HB3 LYS A 52 0.973 15.134 12.851 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -1.143 16.187 12.586 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -1.850 14.777 11.822 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -0.845 14.753 14.691 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -2.488 15.193 14.271 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -2.828 12.991 13.194 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -1.167 12.549 13.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -2.675 11.616 15.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -1.636 12.732 15.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -3.245 13.161 15.579 1.00 0.00 H new ATOM 847 N GLY A 53 2.994 14.935 11.040 1.00 0.00 N ATOM 848 CA GLY A 53 4.267 15.624 10.918 1.00 0.00 C ATOM 849 C GLY A 53 5.434 14.763 11.359 1.00 0.00 C ATOM 850 O GLY A 53 6.344 14.489 10.575 1.00 0.00 O ATOM 0 H GLY A 53 3.047 14.015 11.476 1.00 0.00 H new ATOM 0 HA2 GLY A 53 4.415 15.928 9.882 1.00 0.00 H new ATOM 0 HA3 GLY A 53 4.243 16.534 11.517 1.00 0.00 H new ATOM 854 N LYS A 54 5.407 14.332 12.616 1.00 0.00 N ATOM 855 CA LYS A 54 6.469 13.492 13.157 1.00 0.00 C ATOM 856 C LYS A 54 6.077 12.019 13.105 1.00 0.00 C ATOM 857 O LYS A 54 6.934 11.146 12.969 1.00 0.00 O ATOM 858 CB LYS A 54 6.805 13.890 14.600 1.00 0.00 C ATOM 859 CG LYS A 54 5.594 13.991 15.519 1.00 0.00 C ATOM 860 CD LYS A 54 5.435 12.749 16.387 1.00 0.00 C ATOM 861 CE LYS A 54 6.659 12.502 17.253 1.00 0.00 C ATOM 862 NZ LYS A 54 7.069 11.068 17.238 1.00 0.00 N ATOM 0 H LYS A 54 4.662 14.550 13.278 1.00 0.00 H new ATOM 0 HA LYS A 54 7.354 13.642 12.539 1.00 0.00 H new ATOM 0 HB2 LYS A 54 7.501 13.160 15.014 1.00 0.00 H new ATOM 0 HB3 LYS A 54 7.320 14.851 14.589 1.00 0.00 H new ATOM 0 HG2 LYS A 54 5.694 14.869 16.157 1.00 0.00 H new ATOM 0 HG3 LYS A 54 4.694 14.133 14.920 1.00 0.00 H new ATOM 0 HD2 LYS A 54 4.557 12.861 17.023 1.00 0.00 H new ATOM 0 HD3 LYS A 54 5.259 11.882 15.751 1.00 0.00 H new ATOM 0 HE2 LYS A 54 7.485 13.120 16.900 1.00 0.00 H new ATOM 0 HE3 LYS A 54 6.447 12.809 18.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 7.907 10.940 17.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 6.290 10.481 17.599 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 7.296 10.782 16.264 1.00 0.00 H new ATOM 876 N ILE A 55 4.779 11.747 13.212 1.00 0.00 N ATOM 877 CA ILE A 55 4.284 10.378 13.174 1.00 0.00 C ATOM 878 C ILE A 55 3.480 10.119 11.897 1.00 0.00 C ATOM 879 O ILE A 55 3.125 11.051 11.177 1.00 0.00 O ATOM 880 CB ILE A 55 3.429 10.058 14.422 1.00 0.00 C ATOM 881 CG1 ILE A 55 3.168 8.555 14.521 1.00 0.00 C ATOM 882 CG2 ILE A 55 2.118 10.832 14.403 1.00 0.00 C ATOM 883 CD1 ILE A 55 2.867 8.084 15.925 1.00 0.00 C ATOM 0 H ILE A 55 4.054 12.456 13.325 1.00 0.00 H new ATOM 0 HA ILE A 55 5.150 9.716 13.175 1.00 0.00 H new ATOM 0 HB ILE A 55 3.988 10.371 15.304 1.00 0.00 H new ATOM 0 HG12 ILE A 55 2.331 8.297 13.873 1.00 0.00 H new ATOM 0 HG13 ILE A 55 4.039 8.018 14.146 1.00 0.00 H new ATOM 0 HG21 ILE A 55 1.538 10.587 15.293 1.00 0.00 H new ATOM 0 HG22 ILE A 55 2.327 11.902 14.390 1.00 0.00 H new ATOM 0 HG23 ILE A 55 1.549 10.562 13.513 1.00 0.00 H new ATOM 0 HD11 ILE A 55 2.693 7.008 15.918 1.00 0.00 H new ATOM 0 HD12 ILE A 55 3.713 8.310 16.574 1.00 0.00 H new ATOM 0 HD13 ILE A 55 1.978 8.593 16.297 1.00 0.00 H new ATOM 895 N ALA A 56 3.210 8.846 11.615 1.00 0.00 N ATOM 896 CA ALA A 56 2.468 8.465 10.420 1.00 0.00 C ATOM 897 C ALA A 56 1.465 7.366 10.730 1.00 0.00 C ATOM 898 O ALA A 56 1.656 6.581 11.656 1.00 0.00 O ATOM 899 CB ALA A 56 3.434 8.000 9.337 1.00 0.00 C ATOM 0 H ALA A 56 3.496 8.061 12.201 1.00 0.00 H new ATOM 0 HA ALA A 56 1.919 9.337 10.064 1.00 0.00 H new ATOM 0 HB1 ALA A 56 2.873 7.717 8.446 1.00 0.00 H new ATOM 0 HB2 ALA A 56 4.121 8.809 9.091 1.00 0.00 H new ATOM 0 HB3 ALA A 56 3.999 7.141 9.698 1.00 0.00 H new ATOM 905 N TYR A 57 0.395 7.315 9.953 1.00 0.00 N ATOM 906 CA TYR A 57 -0.634 6.308 10.156 1.00 0.00 C ATOM 907 C TYR A 57 -1.370 6.008 8.855 1.00 0.00 C ATOM 908 O TYR A 57 -1.608 6.903 8.043 1.00 0.00 O ATOM 909 CB TYR A 57 -1.619 6.774 11.226 1.00 0.00 C ATOM 910 CG TYR A 57 -2.143 8.173 10.992 1.00 0.00 C ATOM 911 CD1 TYR A 57 -3.201 8.400 10.122 1.00 0.00 C ATOM 912 CD2 TYR A 57 -1.577 9.266 11.640 1.00 0.00 C ATOM 913 CE1 TYR A 57 -3.683 9.677 9.904 1.00 0.00 C ATOM 914 CE2 TYR A 57 -2.054 10.544 11.427 1.00 0.00 C ATOM 915 CZ TYR A 57 -3.107 10.745 10.559 1.00 0.00 C ATOM 916 OH TYR A 57 -3.588 12.018 10.342 1.00 0.00 O ATOM 0 H TYR A 57 0.217 7.956 9.180 1.00 0.00 H new ATOM 0 HA TYR A 57 -0.152 5.389 10.491 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -2.459 6.081 11.262 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -1.131 6.735 12.200 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -3.654 7.566 9.608 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -0.752 9.113 12.320 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -4.507 9.837 9.224 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -1.605 11.383 11.938 1.00 0.00 H new ATOM 0 HH TYR A 57 -3.075 12.657 10.879 1.00 0.00 H new ATOM 926 N ILE A 58 -1.725 4.744 8.665 1.00 0.00 N ATOM 927 CA ILE A 58 -2.430 4.318 7.463 1.00 0.00 C ATOM 928 C ILE A 58 -3.917 4.123 7.746 1.00 0.00 C ATOM 929 O ILE A 58 -4.293 3.495 8.736 1.00 0.00 O ATOM 930 CB ILE A 58 -1.832 3.011 6.898 1.00 0.00 C ATOM 931 CG1 ILE A 58 -2.173 1.823 7.803 1.00 0.00 C ATOM 932 CG2 ILE A 58 -0.322 3.146 6.742 1.00 0.00 C ATOM 933 CD1 ILE A 58 -3.286 0.952 7.264 1.00 0.00 C ATOM 0 H ILE A 58 -1.536 3.994 9.330 1.00 0.00 H new ATOM 0 HA ILE A 58 -2.311 5.105 6.719 1.00 0.00 H new ATOM 0 HB ILE A 58 -2.270 2.828 5.917 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -1.280 1.213 7.940 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -2.459 2.196 8.786 1.00 0.00 H new ATOM 0 HG21 ILE A 58 0.087 2.218 6.343 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -0.099 3.965 6.058 1.00 0.00 H new ATOM 0 HG23 ILE A 58 0.127 3.352 7.714 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -3.473 0.131 7.956 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -4.192 1.547 7.153 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -2.995 0.549 6.294 1.00 0.00 H new ATOM 945 N LYS A 59 -4.758 4.668 6.875 1.00 0.00 N ATOM 946 CA LYS A 59 -6.202 4.552 7.039 1.00 0.00 C ATOM 947 C LYS A 59 -6.814 3.737 5.910 1.00 0.00 C ATOM 948 O LYS A 59 -6.410 3.858 4.753 1.00 0.00 O ATOM 949 CB LYS A 59 -6.849 5.938 7.081 1.00 0.00 C ATOM 950 CG LYS A 59 -6.439 6.766 8.288 1.00 0.00 C ATOM 951 CD LYS A 59 -7.208 8.077 8.354 1.00 0.00 C ATOM 952 CE LYS A 59 -8.697 7.846 8.574 1.00 0.00 C ATOM 953 NZ LYS A 59 -9.225 8.652 9.710 1.00 0.00 N ATOM 0 H LYS A 59 -4.466 5.193 6.051 1.00 0.00 H new ATOM 0 HA LYS A 59 -6.390 4.039 7.982 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -6.586 6.480 6.173 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -7.933 5.824 7.081 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -6.615 6.194 9.199 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -5.370 6.972 8.242 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -6.812 8.691 9.163 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -7.059 8.633 7.429 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -9.242 8.101 7.665 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -8.875 6.788 8.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -10.242 8.465 9.825 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -8.724 8.391 10.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -9.079 9.663 9.516 1.00 0.00 H new ATOM 967 N LEU A 60 -7.796 2.911 6.249 1.00 0.00 N ATOM 968 CA LEU A 60 -8.465 2.084 5.256 1.00 0.00 C ATOM 969 C LEU A 60 -9.973 2.256 5.331 1.00 0.00 C ATOM 970 O LEU A 60 -10.530 2.541 6.391 1.00 0.00 O ATOM 971 CB LEU A 60 -8.104 0.609 5.440 1.00 0.00 C ATOM 972 CG LEU A 60 -6.916 0.130 4.612 1.00 0.00 C ATOM 973 CD1 LEU A 60 -6.327 -1.138 5.211 1.00 0.00 C ATOM 974 CD2 LEU A 60 -7.332 -0.097 3.167 1.00 0.00 C ATOM 0 H LEU A 60 -8.145 2.797 7.201 1.00 0.00 H new ATOM 0 HA LEU A 60 -8.123 2.410 4.274 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -7.889 0.431 6.494 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -8.973 0.003 5.186 1.00 0.00 H new ATOM 0 HG LEU A 60 -6.147 0.903 4.628 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -5.480 -1.466 4.608 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -5.992 -0.938 6.229 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -7.086 -1.920 5.226 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -6.472 -0.438 2.590 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -8.118 -0.852 3.129 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -7.705 0.836 2.745 1.00 0.00 H new ATOM 986 N GLU A 61 -10.627 2.073 4.195 1.00 0.00 N ATOM 987 CA GLU A 61 -12.072 2.200 4.119 1.00 0.00 C ATOM 988 C GLU A 61 -12.575 1.743 2.758 1.00 0.00 C ATOM 989 O GLU A 61 -11.796 1.592 1.818 1.00 0.00 O ATOM 990 CB GLU A 61 -12.494 3.649 4.377 1.00 0.00 C ATOM 991 CG GLU A 61 -13.994 3.819 4.537 1.00 0.00 C ATOM 992 CD GLU A 61 -14.374 4.491 5.842 1.00 0.00 C ATOM 993 OE1 GLU A 61 -13.953 5.647 6.061 1.00 0.00 O ATOM 994 OE2 GLU A 61 -15.093 3.862 6.644 1.00 0.00 O ATOM 0 H GLU A 61 -10.178 1.835 3.311 1.00 0.00 H new ATOM 0 HA GLU A 61 -12.514 1.564 4.886 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -11.997 4.010 5.277 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -12.151 4.272 3.551 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -14.379 4.408 3.705 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -14.473 2.842 4.484 1.00 0.00 H new ATOM 1001 N ASP A 62 -13.876 1.514 2.653 1.00 0.00 N ATOM 1002 CA ASP A 62 -14.463 1.078 1.399 1.00 0.00 C ATOM 1003 C ASP A 62 -14.809 2.268 0.519 1.00 0.00 C ATOM 1004 O ASP A 62 -15.336 3.278 0.991 1.00 0.00 O ATOM 1005 CB ASP A 62 -15.714 0.243 1.655 1.00 0.00 C ATOM 1006 CG ASP A 62 -16.342 -0.276 0.375 1.00 0.00 C ATOM 1007 OD1 ASP A 62 -15.696 -0.173 -0.689 1.00 0.00 O ATOM 1008 OD2 ASP A 62 -17.482 -0.783 0.437 1.00 0.00 O ATOM 0 H ASP A 62 -14.541 1.623 3.419 1.00 0.00 H new ATOM 0 HA ASP A 62 -13.726 0.464 0.881 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -15.459 -0.600 2.297 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -16.444 0.846 2.195 1.00 0.00 H new ATOM 1013 N LYS A 63 -14.518 2.130 -0.766 1.00 0.00 N ATOM 1014 CA LYS A 63 -14.798 3.174 -1.739 1.00 0.00 C ATOM 1015 C LYS A 63 -16.293 3.378 -1.947 1.00 0.00 C ATOM 1016 O LYS A 63 -16.705 4.281 -2.677 1.00 0.00 O ATOM 1017 CB LYS A 63 -14.142 2.828 -3.062 1.00 0.00 C ATOM 1018 CG LYS A 63 -13.999 4.012 -3.996 1.00 0.00 C ATOM 1019 CD LYS A 63 -14.674 3.748 -5.331 1.00 0.00 C ATOM 1020 CE LYS A 63 -13.773 2.940 -6.253 1.00 0.00 C ATOM 1021 NZ LYS A 63 -13.638 1.525 -5.805 1.00 0.00 N ATOM 0 H LYS A 63 -14.084 1.296 -1.161 1.00 0.00 H new ATOM 0 HA LYS A 63 -14.389 4.106 -1.349 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -13.155 2.407 -2.870 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -14.728 2.054 -3.557 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -14.436 4.897 -3.534 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -12.942 4.225 -4.157 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -15.608 3.211 -5.169 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -14.929 4.695 -5.806 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -14.177 2.963 -7.265 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -12.787 3.403 -6.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -13.318 0.938 -6.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -12.943 1.470 -5.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -14.559 1.178 -5.468 1.00 0.00 H new ATOM 1035 N VAL A 64 -17.102 2.535 -1.322 1.00 0.00 N ATOM 1036 CA VAL A 64 -18.540 2.628 -1.458 1.00 0.00 C ATOM 1037 C VAL A 64 -19.115 3.671 -0.507 1.00 0.00 C ATOM 1038 O VAL A 64 -19.626 4.703 -0.941 1.00 0.00 O ATOM 1039 CB VAL A 64 -19.201 1.267 -1.186 1.00 0.00 C ATOM 1040 CG1 VAL A 64 -20.689 1.315 -1.497 1.00 0.00 C ATOM 1041 CG2 VAL A 64 -18.513 0.177 -1.991 1.00 0.00 C ATOM 0 H VAL A 64 -16.782 1.779 -0.716 1.00 0.00 H new ATOM 0 HA VAL A 64 -18.753 2.932 -2.483 1.00 0.00 H new ATOM 0 HB VAL A 64 -19.090 1.035 -0.127 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -21.134 0.340 -1.297 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -21.167 2.068 -0.871 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -20.833 1.571 -2.547 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -18.991 -0.781 -1.789 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -18.592 0.405 -3.054 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -17.462 0.125 -1.708 1.00 0.00 H new ATOM 1051 N SER A 65 -19.035 3.399 0.795 1.00 0.00 N ATOM 1052 CA SER A 65 -19.553 4.327 1.794 1.00 0.00 C ATOM 1053 C SER A 65 -19.383 3.778 3.210 1.00 0.00 C ATOM 1054 O SER A 65 -20.328 3.252 3.799 1.00 0.00 O ATOM 1055 CB SER A 65 -21.030 4.635 1.517 1.00 0.00 C ATOM 1056 OG SER A 65 -21.721 4.992 2.702 1.00 0.00 O ATOM 0 H SER A 65 -18.620 2.550 1.179 1.00 0.00 H new ATOM 0 HA SER A 65 -18.977 5.249 1.723 1.00 0.00 H new ATOM 0 HB2 SER A 65 -21.103 5.447 0.794 1.00 0.00 H new ATOM 0 HB3 SER A 65 -21.505 3.764 1.067 1.00 0.00 H new ATOM 0 HG SER A 65 -21.716 4.235 3.324 1.00 0.00 H new ATOM 1062 N GLY A 66 -18.177 3.913 3.752 1.00 0.00 N ATOM 1063 CA GLY A 66 -17.912 3.435 5.100 1.00 0.00 C ATOM 1064 C GLY A 66 -17.302 2.041 5.139 1.00 0.00 C ATOM 1065 O GLY A 66 -16.103 1.879 4.930 1.00 0.00 O ATOM 0 H GLY A 66 -17.379 4.344 3.285 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -17.239 4.132 5.599 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -18.844 3.432 5.666 1.00 0.00 H new ATOM 1069 N GLU A 67 -18.130 1.032 5.417 1.00 0.00 N ATOM 1070 CA GLU A 67 -17.666 -0.357 5.489 1.00 0.00 C ATOM 1071 C GLU A 67 -16.966 -0.639 6.816 1.00 0.00 C ATOM 1072 O GLU A 67 -16.930 0.207 7.708 1.00 0.00 O ATOM 1073 CB GLU A 67 -16.723 -0.652 4.329 1.00 0.00 C ATOM 1074 CG GLU A 67 -16.798 -2.075 3.798 1.00 0.00 C ATOM 1075 CD GLU A 67 -18.071 -2.349 3.022 1.00 0.00 C ATOM 1076 OE1 GLU A 67 -18.779 -1.378 2.678 1.00 0.00 O ATOM 1077 OE2 GLU A 67 -18.362 -3.535 2.761 1.00 0.00 O ATOM 0 H GLU A 67 -19.127 1.150 5.596 1.00 0.00 H new ATOM 0 HA GLU A 67 -18.537 -1.009 5.422 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -16.943 0.038 3.514 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -15.701 -0.451 4.649 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -15.939 -2.263 3.154 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -16.730 -2.773 4.633 1.00 0.00 H new ATOM 1084 N LEU A 68 -16.403 -1.842 6.931 1.00 0.00 N ATOM 1085 CA LEU A 68 -15.698 -2.265 8.137 1.00 0.00 C ATOM 1086 C LEU A 68 -14.735 -1.188 8.628 1.00 0.00 C ATOM 1087 O LEU A 68 -14.743 -0.829 9.805 1.00 0.00 O ATOM 1088 CB LEU A 68 -14.920 -3.555 7.863 1.00 0.00 C ATOM 1089 CG LEU A 68 -15.776 -4.749 7.440 1.00 0.00 C ATOM 1090 CD1 LEU A 68 -15.010 -5.640 6.473 1.00 0.00 C ATOM 1091 CD2 LEU A 68 -16.223 -5.543 8.658 1.00 0.00 C ATOM 0 H LEU A 68 -16.423 -2.546 6.194 1.00 0.00 H new ATOM 0 HA LEU A 68 -16.443 -2.439 8.913 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -14.185 -3.359 7.082 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -14.366 -3.825 8.762 1.00 0.00 H new ATOM 0 HG LEU A 68 -16.663 -4.373 6.930 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -15.635 -6.484 6.183 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -14.740 -5.067 5.586 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -14.105 -6.008 6.956 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -16.831 -6.389 8.338 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -15.348 -5.908 9.196 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -16.811 -4.902 9.315 1.00 0.00 H new ATOM 1103 N PHE A 69 -13.908 -0.679 7.720 1.00 0.00 N ATOM 1104 CA PHE A 69 -12.940 0.356 8.059 1.00 0.00 C ATOM 1105 C PHE A 69 -11.875 -0.181 9.007 1.00 0.00 C ATOM 1106 O PHE A 69 -12.186 -0.757 10.051 1.00 0.00 O ATOM 1107 CB PHE A 69 -13.646 1.565 8.684 1.00 0.00 C ATOM 1108 CG PHE A 69 -12.711 2.641 9.158 1.00 0.00 C ATOM 1109 CD1 PHE A 69 -12.194 3.569 8.269 1.00 0.00 C ATOM 1110 CD2 PHE A 69 -12.353 2.725 10.493 1.00 0.00 C ATOM 1111 CE1 PHE A 69 -11.337 4.562 8.703 1.00 0.00 C ATOM 1112 CE2 PHE A 69 -11.496 3.715 10.934 1.00 0.00 C ATOM 1113 CZ PHE A 69 -10.988 4.636 10.038 1.00 0.00 C ATOM 0 H PHE A 69 -13.890 -0.968 6.742 1.00 0.00 H new ATOM 0 HA PHE A 69 -12.449 0.672 7.139 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -14.332 1.991 7.952 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -14.249 1.225 9.526 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -12.464 3.516 7.225 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -12.748 2.008 11.198 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -10.940 5.279 8.000 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -11.224 3.769 11.978 1.00 0.00 H new ATOM 0 HZ PHE A 69 -10.320 5.412 10.380 1.00 0.00 H new ATOM 1123 N ALA A 70 -10.617 0.016 8.634 1.00 0.00 N ATOM 1124 CA ALA A 70 -9.496 -0.438 9.445 1.00 0.00 C ATOM 1125 C ALA A 70 -8.296 0.490 9.276 1.00 0.00 C ATOM 1126 O ALA A 70 -8.115 1.095 8.223 1.00 0.00 O ATOM 1127 CB ALA A 70 -9.121 -1.866 9.071 1.00 0.00 C ATOM 0 H ALA A 70 -10.347 0.489 7.772 1.00 0.00 H new ATOM 0 HA ALA A 70 -9.797 -0.418 10.492 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -8.282 -2.194 9.684 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -9.974 -2.523 9.242 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -8.839 -1.904 8.019 1.00 0.00 H new ATOM 1133 N GLN A 71 -7.479 0.601 10.313 1.00 0.00 N ATOM 1134 CA GLN A 71 -6.300 1.457 10.256 1.00 0.00 C ATOM 1135 C GLN A 71 -5.196 0.909 11.153 1.00 0.00 C ATOM 1136 O GLN A 71 -5.442 0.057 12.007 1.00 0.00 O ATOM 1137 CB GLN A 71 -6.640 2.898 10.656 1.00 0.00 C ATOM 1138 CG GLN A 71 -7.706 3.016 11.735 1.00 0.00 C ATOM 1139 CD GLN A 71 -7.122 3.300 13.105 1.00 0.00 C ATOM 1140 OE1 GLN A 71 -6.777 2.383 13.849 1.00 0.00 O ATOM 1141 NE2 GLN A 71 -7.011 4.579 13.449 1.00 0.00 N ATOM 0 H GLN A 71 -7.608 0.113 11.199 1.00 0.00 H new ATOM 0 HA GLN A 71 -5.945 1.465 9.225 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -5.732 3.389 11.005 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -6.975 3.438 9.771 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -8.401 3.813 11.468 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -8.281 2.091 11.774 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -7.309 5.309 12.802 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -6.628 4.831 14.360 1.00 0.00 H new ATOM 1150 N ALA A 72 -3.980 1.400 10.949 1.00 0.00 N ATOM 1151 CA ALA A 72 -2.836 0.957 11.732 1.00 0.00 C ATOM 1152 C ALA A 72 -1.856 2.105 11.963 1.00 0.00 C ATOM 1153 O ALA A 72 -1.244 2.604 11.020 1.00 0.00 O ATOM 1154 CB ALA A 72 -2.140 -0.203 11.034 1.00 0.00 C ATOM 0 H ALA A 72 -3.762 2.106 10.246 1.00 0.00 H new ATOM 0 HA ALA A 72 -3.196 0.619 12.704 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -1.286 -0.526 11.629 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -2.839 -1.032 10.922 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -1.797 0.117 10.050 1.00 0.00 H new ATOM 1160 N PRO A 73 -1.689 2.542 13.224 1.00 0.00 N ATOM 1161 CA PRO A 73 -0.771 3.634 13.563 1.00 0.00 C ATOM 1162 C PRO A 73 0.686 3.256 13.324 1.00 0.00 C ATOM 1163 O PRO A 73 1.111 2.148 13.649 1.00 0.00 O ATOM 1164 CB PRO A 73 -1.024 3.870 15.055 1.00 0.00 C ATOM 1165 CG PRO A 73 -1.583 2.583 15.555 1.00 0.00 C ATOM 1166 CD PRO A 73 -2.373 2.006 14.416 1.00 0.00 C ATOM 0 HA PRO A 73 -0.944 4.516 12.947 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -0.103 4.130 15.576 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -1.722 4.692 15.213 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -0.787 1.904 15.861 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -2.217 2.745 16.427 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -2.362 0.916 14.430 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -3.418 2.315 14.454 1.00 0.00 H new ATOM 1174 N VAL A 74 1.448 4.180 12.750 1.00 0.00 N ATOM 1175 CA VAL A 74 2.857 3.938 12.464 1.00 0.00 C ATOM 1176 C VAL A 74 3.738 4.984 13.151 1.00 0.00 C ATOM 1177 O VAL A 74 3.374 6.156 13.235 1.00 0.00 O ATOM 1178 CB VAL A 74 3.130 3.961 10.946 1.00 0.00 C ATOM 1179 CG1 VAL A 74 4.479 3.339 10.631 1.00 0.00 C ATOM 1180 CG2 VAL A 74 2.020 3.247 10.181 1.00 0.00 C ATOM 0 H VAL A 74 1.114 5.103 12.474 1.00 0.00 H new ATOM 0 HA VAL A 74 3.102 2.949 12.852 1.00 0.00 H new ATOM 0 HB VAL A 74 3.149 5.002 10.625 1.00 0.00 H new ATOM 0 HG11 VAL A 74 4.650 3.366 9.555 1.00 0.00 H new ATOM 0 HG12 VAL A 74 5.265 3.899 11.138 1.00 0.00 H new ATOM 0 HG13 VAL A 74 4.492 2.305 10.974 1.00 0.00 H new ATOM 0 HG21 VAL A 74 2.236 3.277 9.113 1.00 0.00 H new ATOM 0 HG22 VAL A 74 1.961 2.209 10.510 1.00 0.00 H new ATOM 0 HG23 VAL A 74 1.069 3.743 10.373 1.00 0.00 H new ATOM 1190 N GLU A 75 4.894 4.549 13.640 1.00 0.00 N ATOM 1191 CA GLU A 75 5.834 5.436 14.324 1.00 0.00 C ATOM 1192 C GLU A 75 6.452 6.441 13.351 1.00 0.00 C ATOM 1193 O GLU A 75 7.119 7.387 13.771 1.00 0.00 O ATOM 1194 CB GLU A 75 6.964 4.628 14.986 1.00 0.00 C ATOM 1195 CG GLU A 75 6.724 4.317 16.455 1.00 0.00 C ATOM 1196 CD GLU A 75 7.159 5.446 17.370 1.00 0.00 C ATOM 1197 OE1 GLU A 75 7.839 6.374 16.886 1.00 0.00 O ATOM 1198 OE2 GLU A 75 6.821 5.400 18.572 1.00 0.00 O ATOM 0 H GLU A 75 5.206 3.580 13.576 1.00 0.00 H new ATOM 0 HA GLU A 75 5.272 5.974 15.088 1.00 0.00 H new ATOM 0 HB2 GLU A 75 7.093 3.691 14.443 1.00 0.00 H new ATOM 0 HB3 GLU A 75 7.897 5.183 14.891 1.00 0.00 H new ATOM 0 HG2 GLU A 75 5.664 4.116 16.611 1.00 0.00 H new ATOM 0 HG3 GLU A 75 7.264 3.409 16.723 1.00 0.00 H new ATOM 1205 N GLN A 76 6.234 6.233 12.050 1.00 0.00 N ATOM 1206 CA GLN A 76 6.780 7.117 11.034 1.00 0.00 C ATOM 1207 C GLN A 76 8.300 7.040 11.016 1.00 0.00 C ATOM 1208 O GLN A 76 8.935 7.042 12.070 1.00 0.00 O ATOM 1209 CB GLN A 76 6.337 8.548 11.292 1.00 0.00 C ATOM 1210 CG GLN A 76 6.403 9.436 10.065 1.00 0.00 C ATOM 1211 CD GLN A 76 7.669 10.267 10.024 1.00 0.00 C ATOM 1212 OE1 GLN A 76 8.747 9.794 10.386 1.00 0.00 O ATOM 1213 NE2 GLN A 76 7.544 11.513 9.587 1.00 0.00 N ATOM 0 H GLN A 76 5.682 5.458 11.682 1.00 0.00 H new ATOM 0 HA GLN A 76 6.404 6.797 10.062 1.00 0.00 H new ATOM 0 HB2 GLN A 76 5.315 8.540 11.670 1.00 0.00 H new ATOM 0 HB3 GLN A 76 6.963 8.977 12.075 1.00 0.00 H new ATOM 0 HG2 GLN A 76 6.347 8.818 9.169 1.00 0.00 H new ATOM 0 HG3 GLN A 76 5.536 10.097 10.051 1.00 0.00 H new ATOM 0 HE21 GLN A 76 6.631 11.863 9.297 1.00 0.00 H new ATOM 0 HE22 GLN A 76 8.361 12.122 9.541 1.00 0.00 H new ATOM 1222 N TYR A 77 8.866 6.941 9.805 1.00 0.00 N ATOM 1223 CA TYR A 77 10.327 6.834 9.595 1.00 0.00 C ATOM 1224 C TYR A 77 10.728 5.419 9.144 1.00 0.00 C ATOM 1225 O TYR A 77 11.389 5.257 8.117 1.00 0.00 O ATOM 1226 CB TYR A 77 11.095 7.213 10.877 1.00 0.00 C ATOM 1227 CG TYR A 77 12.579 7.484 10.710 1.00 0.00 C ATOM 1228 CD1 TYR A 77 13.363 6.767 9.812 1.00 0.00 C ATOM 1229 CD2 TYR A 77 13.202 8.450 11.493 1.00 0.00 C ATOM 1230 CE1 TYR A 77 14.718 7.007 9.698 1.00 0.00 C ATOM 1231 CE2 TYR A 77 14.555 8.699 11.380 1.00 0.00 C ATOM 1232 CZ TYR A 77 15.307 7.974 10.484 1.00 0.00 C ATOM 1233 OH TYR A 77 16.656 8.217 10.377 1.00 0.00 O ATOM 0 H TYR A 77 8.328 6.932 8.939 1.00 0.00 H new ATOM 0 HA TYR A 77 10.593 7.534 8.803 1.00 0.00 H new ATOM 0 HB2 TYR A 77 10.630 8.101 11.306 1.00 0.00 H new ATOM 0 HB3 TYR A 77 10.973 6.408 11.601 1.00 0.00 H new ATOM 0 HD1 TYR A 77 12.904 6.010 9.194 1.00 0.00 H new ATOM 0 HD2 TYR A 77 12.616 9.016 12.203 1.00 0.00 H new ATOM 0 HE1 TYR A 77 15.313 6.440 8.997 1.00 0.00 H new ATOM 0 HE2 TYR A 77 15.021 9.458 11.991 1.00 0.00 H new ATOM 0 HH TYR A 77 16.910 8.929 11.000 1.00 0.00 H new ATOM 1243 N PRO A 78 10.344 4.370 9.890 1.00 0.00 N ATOM 1244 CA PRO A 78 10.701 2.993 9.532 1.00 0.00 C ATOM 1245 C PRO A 78 9.966 2.488 8.293 1.00 0.00 C ATOM 1246 O PRO A 78 9.222 1.509 8.351 1.00 0.00 O ATOM 1247 CB PRO A 78 10.308 2.187 10.769 1.00 0.00 C ATOM 1248 CG PRO A 78 9.259 2.999 11.444 1.00 0.00 C ATOM 1249 CD PRO A 78 9.542 4.437 11.120 1.00 0.00 C ATOM 0 HA PRO A 78 11.756 2.907 9.272 1.00 0.00 H new ATOM 0 HB2 PRO A 78 9.929 1.203 10.494 1.00 0.00 H new ATOM 0 HB3 PRO A 78 11.165 2.027 11.424 1.00 0.00 H new ATOM 0 HG2 PRO A 78 8.266 2.713 11.096 1.00 0.00 H new ATOM 0 HG3 PRO A 78 9.278 2.835 12.521 1.00 0.00 H new ATOM 0 HD2 PRO A 78 8.622 5.001 10.967 1.00 0.00 H new ATOM 0 HD3 PRO A 78 10.087 4.929 11.926 1.00 0.00 H new ATOM 1257 N GLY A 79 10.202 3.155 7.163 1.00 0.00 N ATOM 1258 CA GLY A 79 9.583 2.748 5.914 1.00 0.00 C ATOM 1259 C GLY A 79 10.300 1.564 5.291 1.00 0.00 C ATOM 1260 O GLY A 79 11.482 1.656 4.955 1.00 0.00 O ATOM 0 H GLY A 79 10.811 3.970 7.092 1.00 0.00 H new ATOM 0 HA2 GLY A 79 8.540 2.488 6.093 1.00 0.00 H new ATOM 0 HA3 GLY A 79 9.588 3.585 5.216 1.00 0.00 H new ATOM 1264 N ILE A 80 9.589 0.450 5.143 1.00 0.00 N ATOM 1265 CA ILE A 80 10.162 -0.758 4.567 1.00 0.00 C ATOM 1266 C ILE A 80 9.128 -1.879 4.536 1.00 0.00 C ATOM 1267 O ILE A 80 7.986 -1.690 4.957 1.00 0.00 O ATOM 1268 CB ILE A 80 11.417 -1.219 5.365 1.00 0.00 C ATOM 1269 CG1 ILE A 80 12.321 -2.133 4.524 1.00 0.00 C ATOM 1270 CG2 ILE A 80 11.016 -1.929 6.654 1.00 0.00 C ATOM 1271 CD1 ILE A 80 12.539 -1.661 3.102 1.00 0.00 C ATOM 0 H ILE A 80 8.610 0.361 5.416 1.00 0.00 H new ATOM 0 HA ILE A 80 10.467 -0.527 3.546 1.00 0.00 H new ATOM 0 HB ILE A 80 11.981 -0.321 5.617 1.00 0.00 H new ATOM 0 HG12 ILE A 80 13.289 -2.220 5.017 1.00 0.00 H new ATOM 0 HG13 ILE A 80 11.885 -3.132 4.500 1.00 0.00 H new ATOM 0 HG21 ILE A 80 11.912 -2.240 7.192 1.00 0.00 H new ATOM 0 HG22 ILE A 80 10.436 -1.250 7.278 1.00 0.00 H new ATOM 0 HG23 ILE A 80 10.414 -2.805 6.414 1.00 0.00 H new ATOM 0 HD11 ILE A 80 13.188 -2.364 2.581 1.00 0.00 H new ATOM 0 HD12 ILE A 80 11.580 -1.602 2.587 1.00 0.00 H new ATOM 0 HD13 ILE A 80 13.006 -0.676 3.113 1.00 0.00 H new ATOM 1283 N ALA A 81 9.538 -3.047 4.039 1.00 0.00 N ATOM 1284 CA ALA A 81 8.660 -4.206 3.957 1.00 0.00 C ATOM 1285 C ALA A 81 7.774 -4.123 2.726 1.00 0.00 C ATOM 1286 O ALA A 81 6.593 -3.785 2.806 1.00 0.00 O ATOM 1287 CB ALA A 81 7.831 -4.342 5.223 1.00 0.00 C ATOM 0 H ALA A 81 10.481 -3.212 3.686 1.00 0.00 H new ATOM 0 HA ALA A 81 9.278 -5.099 3.864 1.00 0.00 H new ATOM 0 HB1 ALA A 81 7.182 -5.214 5.141 1.00 0.00 H new ATOM 0 HB2 ALA A 81 8.493 -4.462 6.080 1.00 0.00 H new ATOM 0 HB3 ALA A 81 7.222 -3.448 5.357 1.00 0.00 H new ATOM 1293 N VAL A 82 8.370 -4.433 1.585 1.00 0.00 N ATOM 1294 CA VAL A 82 7.671 -4.399 0.314 1.00 0.00 C ATOM 1295 C VAL A 82 8.276 -5.405 -0.651 1.00 0.00 C ATOM 1296 O VAL A 82 9.489 -5.425 -0.864 1.00 0.00 O ATOM 1297 CB VAL A 82 7.735 -3.004 -0.329 1.00 0.00 C ATOM 1298 CG1 VAL A 82 6.945 -1.999 0.492 1.00 0.00 C ATOM 1299 CG2 VAL A 82 9.183 -2.559 -0.488 1.00 0.00 C ATOM 0 H VAL A 82 9.348 -4.714 1.516 1.00 0.00 H new ATOM 0 HA VAL A 82 6.629 -4.650 0.514 1.00 0.00 H new ATOM 0 HB VAL A 82 7.284 -3.058 -1.320 1.00 0.00 H new ATOM 0 HG11 VAL A 82 7.003 -1.018 0.020 1.00 0.00 H new ATOM 0 HG12 VAL A 82 5.903 -2.314 0.548 1.00 0.00 H new ATOM 0 HG13 VAL A 82 7.362 -1.943 1.498 1.00 0.00 H new ATOM 0 HG21 VAL A 82 9.212 -1.570 -0.945 1.00 0.00 H new ATOM 0 HG22 VAL A 82 9.661 -2.521 0.491 1.00 0.00 H new ATOM 0 HG23 VAL A 82 9.714 -3.268 -1.124 1.00 0.00 H new ATOM 1309 N GLU A 83 7.430 -6.234 -1.236 1.00 0.00 N ATOM 1310 CA GLU A 83 7.890 -7.234 -2.183 1.00 0.00 C ATOM 1311 C GLU A 83 6.830 -7.514 -3.227 1.00 0.00 C ATOM 1312 O GLU A 83 5.657 -7.189 -3.045 1.00 0.00 O ATOM 1313 CB GLU A 83 8.254 -8.533 -1.466 1.00 0.00 C ATOM 1314 CG GLU A 83 9.545 -8.452 -0.672 1.00 0.00 C ATOM 1315 CD GLU A 83 10.772 -8.430 -1.562 1.00 0.00 C ATOM 1316 OE1 GLU A 83 11.028 -9.446 -2.243 1.00 0.00 O ATOM 1317 OE2 GLU A 83 11.476 -7.399 -1.577 1.00 0.00 O ATOM 0 H GLU A 83 6.423 -6.235 -1.073 1.00 0.00 H new ATOM 0 HA GLU A 83 8.778 -6.839 -2.676 1.00 0.00 H new ATOM 0 HB2 GLU A 83 7.441 -8.806 -0.793 1.00 0.00 H new ATOM 0 HB3 GLU A 83 8.341 -9.332 -2.202 1.00 0.00 H new ATOM 0 HG2 GLU A 83 9.532 -7.554 -0.054 1.00 0.00 H new ATOM 0 HG3 GLU A 83 9.606 -9.304 0.005 1.00 0.00 H new ATOM 1324 N THR A 84 7.249 -8.129 -4.318 1.00 0.00 N ATOM 1325 CA THR A 84 6.339 -8.464 -5.390 1.00 0.00 C ATOM 1326 C THR A 84 6.558 -9.903 -5.832 1.00 0.00 C ATOM 1327 O THR A 84 7.135 -10.717 -5.108 1.00 0.00 O ATOM 1328 CB THR A 84 6.529 -7.511 -6.582 1.00 0.00 C ATOM 1329 OG1 THR A 84 7.640 -7.904 -7.369 1.00 0.00 O ATOM 1330 CG2 THR A 84 6.742 -6.067 -6.182 1.00 0.00 C ATOM 0 H THR A 84 8.217 -8.406 -4.482 1.00 0.00 H new ATOM 0 HA THR A 84 5.319 -8.356 -5.021 1.00 0.00 H new ATOM 0 HB THR A 84 5.598 -7.577 -7.145 1.00 0.00 H new ATOM 0 HG1 THR A 84 7.742 -7.286 -8.123 1.00 0.00 H new ATOM 0 HG21 THR A 84 6.868 -5.457 -7.076 1.00 0.00 H new ATOM 0 HG22 THR A 84 5.877 -5.714 -5.620 1.00 0.00 H new ATOM 0 HG23 THR A 84 7.634 -5.989 -5.561 1.00 0.00 H new ATOM 1338 N VAL A 85 6.083 -10.198 -7.020 1.00 0.00 N ATOM 1339 CA VAL A 85 6.201 -11.521 -7.599 1.00 0.00 C ATOM 1340 C VAL A 85 7.640 -11.842 -7.981 1.00 0.00 C ATOM 1341 O VAL A 85 8.147 -11.355 -8.991 1.00 0.00 O ATOM 1342 CB VAL A 85 5.313 -11.639 -8.843 1.00 0.00 C ATOM 1343 CG1 VAL A 85 3.888 -11.922 -8.425 1.00 0.00 C ATOM 1344 CG2 VAL A 85 5.384 -10.374 -9.696 1.00 0.00 C ATOM 0 H VAL A 85 5.601 -9.525 -7.617 1.00 0.00 H new ATOM 0 HA VAL A 85 5.877 -12.235 -6.842 1.00 0.00 H new ATOM 0 HB VAL A 85 5.678 -12.466 -9.453 1.00 0.00 H new ATOM 0 HG11 VAL A 85 3.259 -12.005 -9.311 1.00 0.00 H new ATOM 0 HG12 VAL A 85 3.852 -12.856 -7.865 1.00 0.00 H new ATOM 0 HG13 VAL A 85 3.525 -11.108 -7.797 1.00 0.00 H new ATOM 0 HG21 VAL A 85 4.744 -10.489 -10.571 1.00 0.00 H new ATOM 0 HG22 VAL A 85 5.047 -9.520 -9.109 1.00 0.00 H new ATOM 0 HG23 VAL A 85 6.412 -10.210 -10.018 1.00 0.00 H new ATOM 1354 N THR A 86 8.287 -12.672 -7.169 1.00 0.00 N ATOM 1355 CA THR A 86 9.668 -13.076 -7.413 1.00 0.00 C ATOM 1356 C THR A 86 9.804 -13.808 -8.755 1.00 0.00 C ATOM 1357 O THR A 86 10.917 -14.088 -9.203 1.00 0.00 O ATOM 1358 CB THR A 86 10.168 -13.966 -6.266 1.00 0.00 C ATOM 1359 OG1 THR A 86 9.089 -14.374 -5.446 1.00 0.00 O ATOM 1360 CG2 THR A 86 11.188 -13.290 -5.371 1.00 0.00 C ATOM 0 H THR A 86 7.874 -13.081 -6.331 1.00 0.00 H new ATOM 0 HA THR A 86 10.282 -12.176 -7.459 1.00 0.00 H new ATOM 0 HB THR A 86 10.646 -14.816 -6.753 1.00 0.00 H new ATOM 0 HG1 THR A 86 9.425 -14.942 -4.721 1.00 0.00 H new ATOM 0 HG21 THR A 86 11.495 -13.979 -4.584 1.00 0.00 H new ATOM 0 HG22 THR A 86 12.058 -13.004 -5.962 1.00 0.00 H new ATOM 0 HG23 THR A 86 10.746 -12.401 -4.922 1.00 0.00 H new ATOM 1368 N ASP A 87 8.671 -14.115 -9.396 1.00 0.00 N ATOM 1369 CA ASP A 87 8.687 -14.807 -10.682 1.00 0.00 C ATOM 1370 C ASP A 87 7.528 -14.354 -11.590 1.00 0.00 C ATOM 1371 O ASP A 87 7.225 -15.011 -12.582 1.00 0.00 O ATOM 1372 CB ASP A 87 8.618 -16.325 -10.474 1.00 0.00 C ATOM 1373 CG ASP A 87 9.882 -17.031 -10.928 1.00 0.00 C ATOM 1374 OD1 ASP A 87 10.975 -16.664 -10.448 1.00 0.00 O ATOM 1375 OD2 ASP A 87 9.778 -17.953 -11.764 1.00 0.00 O ATOM 0 H ASP A 87 7.739 -13.895 -9.045 1.00 0.00 H new ATOM 0 HA ASP A 87 9.624 -14.550 -11.177 1.00 0.00 H new ATOM 0 HB2 ASP A 87 8.446 -16.537 -9.419 1.00 0.00 H new ATOM 0 HB3 ASP A 87 7.765 -16.725 -11.022 1.00 0.00 H new ATOM 1380 N SER A 88 6.896 -13.222 -11.257 1.00 0.00 N ATOM 1381 CA SER A 88 5.783 -12.676 -12.055 1.00 0.00 C ATOM 1382 C SER A 88 4.470 -13.431 -11.820 1.00 0.00 C ATOM 1383 O SER A 88 4.467 -14.642 -11.598 1.00 0.00 O ATOM 1384 CB SER A 88 6.127 -12.690 -13.548 1.00 0.00 C ATOM 1385 OG SER A 88 5.272 -11.827 -14.287 1.00 0.00 O ATOM 0 H SER A 88 7.135 -12.662 -10.438 1.00 0.00 H new ATOM 0 HA SER A 88 5.638 -11.647 -11.725 1.00 0.00 H new ATOM 0 HB2 SER A 88 7.164 -12.383 -13.687 1.00 0.00 H new ATOM 0 HB3 SER A 88 6.041 -13.706 -13.933 1.00 0.00 H new ATOM 0 HG SER A 88 5.518 -11.857 -15.235 1.00 0.00 H new ATOM 1391 N SER A 89 3.351 -12.701 -11.886 1.00 0.00 N ATOM 1392 CA SER A 89 2.026 -13.296 -11.697 1.00 0.00 C ATOM 1393 C SER A 89 0.912 -12.288 -11.995 1.00 0.00 C ATOM 1394 O SER A 89 0.490 -12.147 -13.142 1.00 0.00 O ATOM 1395 CB SER A 89 1.865 -13.830 -10.278 1.00 0.00 C ATOM 1396 OG SER A 89 0.586 -14.405 -10.092 1.00 0.00 O ATOM 0 H SER A 89 3.338 -11.698 -12.069 1.00 0.00 H new ATOM 0 HA SER A 89 1.943 -14.124 -12.401 1.00 0.00 H new ATOM 0 HB2 SER A 89 2.635 -14.575 -10.077 1.00 0.00 H new ATOM 0 HB3 SER A 89 2.011 -13.020 -9.563 1.00 0.00 H new ATOM 0 HG SER A 89 0.670 -15.227 -9.565 1.00 0.00 H new ATOM 1402 N ARG A 90 0.435 -11.589 -10.956 1.00 0.00 N ATOM 1403 CA ARG A 90 -0.632 -10.602 -11.118 1.00 0.00 C ATOM 1404 C ARG A 90 -0.966 -9.891 -9.798 1.00 0.00 C ATOM 1405 O ARG A 90 -2.116 -9.515 -9.565 1.00 0.00 O ATOM 1406 CB ARG A 90 -1.891 -11.281 -11.666 1.00 0.00 C ATOM 1407 CG ARG A 90 -2.177 -12.635 -11.034 1.00 0.00 C ATOM 1408 CD ARG A 90 -3.042 -12.500 -9.791 1.00 0.00 C ATOM 1409 NE ARG A 90 -4.459 -12.378 -10.123 1.00 0.00 N ATOM 1410 CZ ARG A 90 -5.215 -11.327 -9.804 1.00 0.00 C ATOM 1411 NH1 ARG A 90 -4.703 -10.308 -9.125 1.00 0.00 N ATOM 1412 NH2 ARG A 90 -6.493 -11.298 -10.157 1.00 0.00 N ATOM 0 H ARG A 90 0.772 -11.691 -9.999 1.00 0.00 H new ATOM 0 HA ARG A 90 -0.276 -9.849 -11.821 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -2.747 -10.626 -11.504 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -1.786 -11.407 -12.744 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -2.678 -13.277 -11.759 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -1.237 -13.121 -10.773 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -2.893 -13.368 -9.149 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -2.726 -11.626 -9.222 1.00 0.00 H new ATOM 0 HE ARG A 90 -4.898 -13.146 -10.631 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -3.723 -10.324 -8.842 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -5.289 -9.508 -8.886 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -6.898 -12.080 -10.672 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -7.071 -10.494 -9.913 1.00 0.00 H new ATOM 1426 N TYR A 91 0.034 -9.703 -8.937 1.00 0.00 N ATOM 1427 CA TYR A 91 -0.179 -9.034 -7.650 1.00 0.00 C ATOM 1428 C TYR A 91 1.151 -8.704 -6.972 1.00 0.00 C ATOM 1429 O TYR A 91 2.219 -8.899 -7.550 1.00 0.00 O ATOM 1430 CB TYR A 91 -1.064 -9.906 -6.731 1.00 0.00 C ATOM 1431 CG TYR A 91 -0.336 -10.576 -5.579 1.00 0.00 C ATOM 1432 CD1 TYR A 91 0.657 -11.521 -5.807 1.00 0.00 C ATOM 1433 CD2 TYR A 91 -0.651 -10.259 -4.262 1.00 0.00 C ATOM 1434 CE1 TYR A 91 1.317 -12.129 -4.754 1.00 0.00 C ATOM 1435 CE2 TYR A 91 0.005 -10.865 -3.206 1.00 0.00 C ATOM 1436 CZ TYR A 91 0.988 -11.801 -3.461 1.00 0.00 C ATOM 1437 OH TYR A 91 1.648 -12.413 -2.420 1.00 0.00 O ATOM 0 H TYR A 91 0.995 -10.002 -9.104 1.00 0.00 H new ATOM 0 HA TYR A 91 -0.696 -8.093 -7.837 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -1.861 -9.284 -6.324 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -1.540 -10.677 -7.337 1.00 0.00 H new ATOM 0 HD1 TYR A 91 0.917 -11.785 -6.821 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -1.420 -9.528 -4.061 1.00 0.00 H new ATOM 0 HE1 TYR A 91 2.089 -12.859 -4.948 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -0.250 -10.608 -2.188 1.00 0.00 H new ATOM 0 HH TYR A 91 2.558 -12.644 -2.700 1.00 0.00 H new ATOM 1447 N PHE A 92 1.068 -8.221 -5.734 1.00 0.00 N ATOM 1448 CA PHE A 92 2.260 -7.885 -4.965 1.00 0.00 C ATOM 1449 C PHE A 92 1.963 -7.881 -3.470 1.00 0.00 C ATOM 1450 O PHE A 92 0.812 -8.008 -3.054 1.00 0.00 O ATOM 1451 CB PHE A 92 2.819 -6.528 -5.396 1.00 0.00 C ATOM 1452 CG PHE A 92 1.772 -5.468 -5.576 1.00 0.00 C ATOM 1453 CD1 PHE A 92 1.371 -4.681 -4.508 1.00 0.00 C ATOM 1454 CD2 PHE A 92 1.193 -5.253 -6.817 1.00 0.00 C ATOM 1455 CE1 PHE A 92 0.411 -3.702 -4.673 1.00 0.00 C ATOM 1456 CE2 PHE A 92 0.233 -4.276 -6.987 1.00 0.00 C ATOM 1457 CZ PHE A 92 -0.159 -3.499 -5.915 1.00 0.00 C ATOM 0 H PHE A 92 0.189 -8.054 -5.244 1.00 0.00 H new ATOM 0 HA PHE A 92 3.011 -8.650 -5.164 1.00 0.00 H new ATOM 0 HB2 PHE A 92 3.540 -6.190 -4.651 1.00 0.00 H new ATOM 0 HB3 PHE A 92 3.362 -6.651 -6.333 1.00 0.00 H new ATOM 0 HD1 PHE A 92 1.814 -4.835 -3.535 1.00 0.00 H new ATOM 0 HD2 PHE A 92 1.496 -5.856 -7.660 1.00 0.00 H new ATOM 0 HE1 PHE A 92 0.106 -3.096 -3.832 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -0.212 -4.119 -7.959 1.00 0.00 H new ATOM 0 HZ PHE A 92 -0.910 -2.734 -6.047 1.00 0.00 H new ATOM 1467 N VAL A 93 3.009 -7.732 -2.664 1.00 0.00 N ATOM 1468 CA VAL A 93 2.857 -7.712 -1.217 1.00 0.00 C ATOM 1469 C VAL A 93 3.457 -6.446 -0.626 1.00 0.00 C ATOM 1470 O VAL A 93 4.574 -6.058 -0.968 1.00 0.00 O ATOM 1471 CB VAL A 93 3.527 -8.935 -0.560 1.00 0.00 C ATOM 1472 CG1 VAL A 93 3.150 -9.026 0.914 1.00 0.00 C ATOM 1473 CG2 VAL A 93 3.150 -10.213 -1.298 1.00 0.00 C ATOM 0 H VAL A 93 3.970 -7.624 -2.990 1.00 0.00 H new ATOM 0 HA VAL A 93 1.787 -7.741 -1.011 1.00 0.00 H new ATOM 0 HB VAL A 93 4.608 -8.812 -0.626 1.00 0.00 H new ATOM 0 HG11 VAL A 93 3.633 -9.896 1.360 1.00 0.00 H new ATOM 0 HG12 VAL A 93 3.479 -8.124 1.430 1.00 0.00 H new ATOM 0 HG13 VAL A 93 2.068 -9.124 1.008 1.00 0.00 H new ATOM 0 HG21 VAL A 93 3.633 -11.065 -0.820 1.00 0.00 H new ATOM 0 HG22 VAL A 93 2.068 -10.345 -1.268 1.00 0.00 H new ATOM 0 HG23 VAL A 93 3.479 -10.145 -2.335 1.00 0.00 H new ATOM 1483 N ILE A 94 2.713 -5.807 0.264 1.00 0.00 N ATOM 1484 CA ILE A 94 3.174 -4.587 0.904 1.00 0.00 C ATOM 1485 C ILE A 94 3.025 -4.681 2.416 1.00 0.00 C ATOM 1486 O ILE A 94 1.969 -5.064 2.918 1.00 0.00 O ATOM 1487 CB ILE A 94 2.393 -3.359 0.407 1.00 0.00 C ATOM 1488 CG1 ILE A 94 0.893 -3.574 0.608 1.00 0.00 C ATOM 1489 CG2 ILE A 94 2.716 -3.079 -1.053 1.00 0.00 C ATOM 1490 CD1 ILE A 94 0.369 -2.994 1.904 1.00 0.00 C ATOM 0 H ILE A 94 1.786 -6.115 0.559 1.00 0.00 H new ATOM 0 HA ILE A 94 4.226 -4.470 0.642 1.00 0.00 H new ATOM 0 HB ILE A 94 2.694 -2.488 0.989 1.00 0.00 H new ATOM 0 HG12 ILE A 94 0.354 -3.124 -0.226 1.00 0.00 H new ATOM 0 HG13 ILE A 94 0.681 -4.643 0.585 1.00 0.00 H new ATOM 0 HG21 ILE A 94 2.155 -2.207 -1.389 1.00 0.00 H new ATOM 0 HG22 ILE A 94 3.784 -2.887 -1.159 1.00 0.00 H new ATOM 0 HG23 ILE A 94 2.441 -3.943 -1.659 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -0.702 -3.183 1.981 1.00 0.00 H new ATOM 0 HD12 ILE A 94 0.881 -3.461 2.745 1.00 0.00 H new ATOM 0 HD13 ILE A 94 0.550 -1.919 1.921 1.00 0.00 H new ATOM 1502 N ARG A 95 4.082 -4.337 3.138 1.00 0.00 N ATOM 1503 CA ARG A 95 4.057 -4.388 4.592 1.00 0.00 C ATOM 1504 C ARG A 95 4.602 -3.087 5.174 1.00 0.00 C ATOM 1505 O ARG A 95 5.270 -2.319 4.480 1.00 0.00 O ATOM 1506 CB ARG A 95 4.867 -5.599 5.081 1.00 0.00 C ATOM 1507 CG ARG A 95 5.021 -5.698 6.597 1.00 0.00 C ATOM 1508 CD ARG A 95 6.262 -6.485 6.989 1.00 0.00 C ATOM 1509 NE ARG A 95 5.957 -7.579 7.902 1.00 0.00 N ATOM 1510 CZ ARG A 95 6.877 -8.245 8.590 1.00 0.00 C ATOM 1511 NH1 ARG A 95 8.156 -7.903 8.506 1.00 0.00 N ATOM 1512 NH2 ARG A 95 6.518 -9.250 9.371 1.00 0.00 N ATOM 0 H ARG A 95 4.966 -4.020 2.741 1.00 0.00 H new ATOM 0 HA ARG A 95 3.028 -4.502 4.934 1.00 0.00 H new ATOM 0 HB2 ARG A 95 4.388 -6.509 4.719 1.00 0.00 H new ATOM 0 HB3 ARG A 95 5.859 -5.560 4.631 1.00 0.00 H new ATOM 0 HG2 ARG A 95 5.077 -4.696 7.023 1.00 0.00 H new ATOM 0 HG3 ARG A 95 4.138 -6.176 7.021 1.00 0.00 H new ATOM 0 HD2 ARG A 95 6.735 -6.884 6.092 1.00 0.00 H new ATOM 0 HD3 ARG A 95 6.982 -5.814 7.457 1.00 0.00 H new ATOM 0 HE ARG A 95 4.980 -7.849 8.019 1.00 0.00 H new ATOM 0 HH11 ARG A 95 8.438 -7.124 7.910 1.00 0.00 H new ATOM 0 HH12 ARG A 95 8.858 -8.419 9.037 1.00 0.00 H new ATOM 0 HH21 ARG A 95 5.535 -9.513 9.444 1.00 0.00 H new ATOM 0 HH22 ARG A 95 7.224 -9.762 9.900 1.00 0.00 H new ATOM 1526 N ILE A 96 4.317 -2.841 6.446 1.00 0.00 N ATOM 1527 CA ILE A 96 4.780 -1.640 7.117 1.00 0.00 C ATOM 1528 C ILE A 96 5.507 -2.009 8.405 1.00 0.00 C ATOM 1529 O ILE A 96 5.271 -3.076 8.969 1.00 0.00 O ATOM 1530 CB ILE A 96 3.594 -0.700 7.427 1.00 0.00 C ATOM 1531 CG1 ILE A 96 2.762 -0.461 6.162 1.00 0.00 C ATOM 1532 CG2 ILE A 96 4.077 0.625 7.997 1.00 0.00 C ATOM 1533 CD1 ILE A 96 1.303 -0.146 6.434 1.00 0.00 C ATOM 0 H ILE A 96 3.763 -3.464 7.035 1.00 0.00 H new ATOM 0 HA ILE A 96 5.471 -1.117 6.456 1.00 0.00 H new ATOM 0 HB ILE A 96 2.968 -1.183 8.178 1.00 0.00 H new ATOM 0 HG12 ILE A 96 3.202 0.363 5.600 1.00 0.00 H new ATOM 0 HG13 ILE A 96 2.820 -1.346 5.529 1.00 0.00 H new ATOM 0 HG21 ILE A 96 3.220 1.266 8.205 1.00 0.00 H new ATOM 0 HG22 ILE A 96 4.628 0.445 8.920 1.00 0.00 H new ATOM 0 HG23 ILE A 96 4.730 1.116 7.275 1.00 0.00 H new ATOM 0 HD11 ILE A 96 0.782 0.010 5.489 1.00 0.00 H new ATOM 0 HD12 ILE A 96 0.844 -0.978 6.968 1.00 0.00 H new ATOM 0 HD13 ILE A 96 1.233 0.757 7.040 1.00 0.00 H new ATOM 1545 N GLN A 97 6.382 -1.122 8.864 1.00 0.00 N ATOM 1546 CA GLN A 97 7.138 -1.359 10.092 1.00 0.00 C ATOM 1547 C GLN A 97 7.237 -0.077 10.901 1.00 0.00 C ATOM 1548 O GLN A 97 7.227 1.017 10.340 1.00 0.00 O ATOM 1549 CB GLN A 97 8.543 -1.902 9.768 1.00 0.00 C ATOM 1550 CG GLN A 97 9.565 -1.743 10.894 1.00 0.00 C ATOM 1551 CD GLN A 97 9.803 -3.031 11.656 1.00 0.00 C ATOM 1552 OE1 GLN A 97 9.257 -3.234 12.740 1.00 0.00 O ATOM 1553 NE2 GLN A 97 10.623 -3.908 11.092 1.00 0.00 N ATOM 0 H GLN A 97 6.587 -0.233 8.407 1.00 0.00 H new ATOM 0 HA GLN A 97 6.612 -2.107 10.685 1.00 0.00 H new ATOM 0 HB2 GLN A 97 8.460 -2.960 9.518 1.00 0.00 H new ATOM 0 HB3 GLN A 97 8.919 -1.393 8.880 1.00 0.00 H new ATOM 0 HG2 GLN A 97 10.509 -1.394 10.475 1.00 0.00 H new ATOM 0 HG3 GLN A 97 9.220 -0.975 11.586 1.00 0.00 H new ATOM 0 HE21 GLN A 97 11.054 -3.698 10.192 1.00 0.00 H new ATOM 0 HE22 GLN A 97 10.823 -4.793 11.559 1.00 0.00 H new ATOM 1562 N ASP A 98 7.339 -0.217 12.221 1.00 0.00 N ATOM 1563 CA ASP A 98 7.446 0.950 13.078 1.00 0.00 C ATOM 1564 C ASP A 98 7.791 0.607 14.521 1.00 0.00 C ATOM 1565 O ASP A 98 7.481 -0.479 15.014 1.00 0.00 O ATOM 1566 CB ASP A 98 6.158 1.748 13.016 1.00 0.00 C ATOM 1567 CG ASP A 98 4.967 0.985 13.561 1.00 0.00 C ATOM 1568 OD1 ASP A 98 4.997 0.595 14.749 1.00 0.00 O ATOM 1569 OD2 ASP A 98 4.001 0.781 12.799 1.00 0.00 O ATOM 0 H ASP A 98 7.349 -1.113 12.709 1.00 0.00 H new ATOM 0 HA ASP A 98 8.275 1.549 12.701 1.00 0.00 H new ATOM 0 HB2 ASP A 98 6.281 2.672 13.581 1.00 0.00 H new ATOM 0 HB3 ASP A 98 5.960 2.030 11.982 1.00 0.00 H new ATOM 1574 N GLY A 99 8.446 1.558 15.194 1.00 0.00 N ATOM 1575 CA GLY A 99 8.840 1.362 16.578 1.00 0.00 C ATOM 1576 C GLY A 99 10.024 0.417 16.721 1.00 0.00 C ATOM 1577 O GLY A 99 10.700 0.416 17.749 1.00 0.00 O ATOM 0 H GLY A 99 8.709 2.461 14.800 1.00 0.00 H new ATOM 0 HA2 GLY A 99 9.094 2.326 17.020 1.00 0.00 H new ATOM 0 HA3 GLY A 99 7.994 0.966 17.140 1.00 0.00 H new ATOM 1581 N THR A 100 10.250 -0.412 15.697 1.00 0.00 N ATOM 1582 CA THR A 100 11.329 -1.398 15.704 1.00 0.00 C ATOM 1583 C THR A 100 10.868 -2.666 16.415 1.00 0.00 C ATOM 1584 O THR A 100 11.615 -3.278 17.177 1.00 0.00 O ATOM 1585 CB THR A 100 12.600 -0.844 16.362 1.00 0.00 C ATOM 1586 OG1 THR A 100 12.957 0.406 15.798 1.00 0.00 O ATOM 1587 CG2 THR A 100 13.787 -1.766 16.216 1.00 0.00 C ATOM 0 H THR A 100 9.691 -0.417 14.844 1.00 0.00 H new ATOM 0 HA THR A 100 11.576 -1.635 14.669 1.00 0.00 H new ATOM 0 HB THR A 100 12.360 -0.742 17.420 1.00 0.00 H new ATOM 0 HG1 THR A 100 13.768 0.741 16.233 1.00 0.00 H new ATOM 0 HG21 THR A 100 14.656 -1.320 16.701 1.00 0.00 H new ATOM 0 HG22 THR A 100 13.563 -2.725 16.683 1.00 0.00 H new ATOM 0 HG23 THR A 100 14.001 -1.919 15.158 1.00 0.00 H new ATOM 1595 N GLY A 101 9.620 -3.055 16.153 1.00 0.00 N ATOM 1596 CA GLY A 101 9.066 -4.249 16.770 1.00 0.00 C ATOM 1597 C GLY A 101 7.672 -4.590 16.265 1.00 0.00 C ATOM 1598 O GLY A 101 7.309 -5.763 16.180 1.00 0.00 O ATOM 0 H GLY A 101 8.984 -2.564 15.525 1.00 0.00 H new ATOM 0 HA2 GLY A 101 9.731 -5.091 16.579 1.00 0.00 H new ATOM 0 HA3 GLY A 101 9.030 -4.109 17.850 1.00 0.00 H new ATOM 1602 N ARG A 102 6.884 -3.569 15.934 1.00 0.00 N ATOM 1603 CA ARG A 102 5.522 -3.781 15.444 1.00 0.00 C ATOM 1604 C ARG A 102 5.417 -3.443 13.958 1.00 0.00 C ATOM 1605 O ARG A 102 5.604 -2.294 13.554 1.00 0.00 O ATOM 1606 CB ARG A 102 4.533 -2.936 16.251 1.00 0.00 C ATOM 1607 CG ARG A 102 4.782 -2.985 17.750 1.00 0.00 C ATOM 1608 CD ARG A 102 5.494 -1.733 18.242 1.00 0.00 C ATOM 1609 NE ARG A 102 4.946 -1.258 19.511 1.00 0.00 N ATOM 1610 CZ ARG A 102 4.327 -0.088 19.669 1.00 0.00 C ATOM 1611 NH1 ARG A 102 4.168 0.738 18.642 1.00 0.00 N ATOM 1612 NH2 ARG A 102 3.860 0.256 20.863 1.00 0.00 N ATOM 0 H ARG A 102 7.163 -2.590 15.996 1.00 0.00 H new ATOM 0 HA ARG A 102 5.274 -4.835 15.571 1.00 0.00 H new ATOM 0 HB2 ARG A 102 4.591 -1.901 15.914 1.00 0.00 H new ATOM 0 HB3 ARG A 102 3.520 -3.282 16.047 1.00 0.00 H new ATOM 0 HG2 ARG A 102 3.832 -3.093 18.274 1.00 0.00 H new ATOM 0 HG3 ARG A 102 5.381 -3.863 17.991 1.00 0.00 H new ATOM 0 HD2 ARG A 102 6.557 -1.943 18.361 1.00 0.00 H new ATOM 0 HD3 ARG A 102 5.407 -0.947 17.492 1.00 0.00 H new ATOM 0 HE ARG A 102 5.043 -1.860 20.328 1.00 0.00 H new ATOM 0 HH11 ARG A 102 4.521 0.480 17.721 1.00 0.00 H new ATOM 0 HH12 ARG A 102 3.693 1.631 18.774 1.00 0.00 H new ATOM 0 HH21 ARG A 102 3.975 -0.374 21.657 1.00 0.00 H new ATOM 0 HH22 ARG A 102 3.386 1.151 20.987 1.00 0.00 H new ATOM 1626 N SER A 103 5.128 -4.458 13.147 1.00 0.00 N ATOM 1627 CA SER A 103 5.012 -4.282 11.704 1.00 0.00 C ATOM 1628 C SER A 103 3.906 -5.167 11.129 1.00 0.00 C ATOM 1629 O SER A 103 3.836 -6.359 11.428 1.00 0.00 O ATOM 1630 CB SER A 103 6.351 -4.619 11.038 1.00 0.00 C ATOM 1631 OG SER A 103 7.392 -4.693 11.998 1.00 0.00 O ATOM 0 H SER A 103 4.970 -5.413 13.467 1.00 0.00 H new ATOM 0 HA SER A 103 4.753 -3.243 11.502 1.00 0.00 H new ATOM 0 HB2 SER A 103 6.270 -5.569 10.511 1.00 0.00 H new ATOM 0 HB3 SER A 103 6.592 -3.861 10.293 1.00 0.00 H new ATOM 0 HG SER A 103 7.644 -3.788 12.278 1.00 0.00 H new ATOM 1637 N ALA A 104 3.042 -4.577 10.303 1.00 0.00 N ATOM 1638 CA ALA A 104 1.944 -5.322 9.691 1.00 0.00 C ATOM 1639 C ALA A 104 2.169 -5.507 8.193 1.00 0.00 C ATOM 1640 O ALA A 104 2.637 -4.597 7.508 1.00 0.00 O ATOM 1641 CB ALA A 104 0.621 -4.617 9.938 1.00 0.00 C ATOM 0 H ALA A 104 3.081 -3.591 10.044 1.00 0.00 H new ATOM 0 HA ALA A 104 1.912 -6.308 10.154 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -0.186 -5.185 9.475 1.00 0.00 H new ATOM 0 HB2 ALA A 104 0.443 -4.542 11.011 1.00 0.00 H new ATOM 0 HB3 ALA A 104 0.655 -3.617 9.505 1.00 0.00 H new ATOM 1647 N PHE A 105 1.838 -6.697 7.694 1.00 0.00 N ATOM 1648 CA PHE A 105 2.009 -7.019 6.278 1.00 0.00 C ATOM 1649 C PHE A 105 0.666 -7.344 5.616 1.00 0.00 C ATOM 1650 O PHE A 105 -0.189 -7.997 6.212 1.00 0.00 O ATOM 1651 CB PHE A 105 3.000 -8.185 6.136 1.00 0.00 C ATOM 1652 CG PHE A 105 2.379 -9.487 5.732 1.00 0.00 C ATOM 1653 CD1 PHE A 105 2.142 -9.769 4.398 1.00 0.00 C ATOM 1654 CD2 PHE A 105 2.034 -10.425 6.688 1.00 0.00 C ATOM 1655 CE1 PHE A 105 1.570 -10.968 4.024 1.00 0.00 C ATOM 1656 CE2 PHE A 105 1.462 -11.624 6.322 1.00 0.00 C ATOM 1657 CZ PHE A 105 1.228 -11.898 4.988 1.00 0.00 C ATOM 0 H PHE A 105 1.448 -7.457 8.252 1.00 0.00 H new ATOM 0 HA PHE A 105 2.414 -6.148 5.763 1.00 0.00 H new ATOM 0 HB2 PHE A 105 3.756 -7.914 5.399 1.00 0.00 H new ATOM 0 HB3 PHE A 105 3.516 -8.323 7.086 1.00 0.00 H new ATOM 0 HD1 PHE A 105 2.407 -9.044 3.643 1.00 0.00 H new ATOM 0 HD2 PHE A 105 2.215 -10.216 7.732 1.00 0.00 H new ATOM 0 HE1 PHE A 105 1.390 -11.179 2.980 1.00 0.00 H new ATOM 0 HE2 PHE A 105 1.197 -12.349 7.077 1.00 0.00 H new ATOM 0 HZ PHE A 105 0.779 -12.837 4.699 1.00 0.00 H new ATOM 1667 N ILE A 106 0.492 -6.872 4.379 1.00 0.00 N ATOM 1668 CA ILE A 106 -0.744 -7.094 3.623 1.00 0.00 C ATOM 1669 C ILE A 106 -0.446 -7.187 2.124 1.00 0.00 C ATOM 1670 O ILE A 106 0.649 -6.836 1.686 1.00 0.00 O ATOM 1671 CB ILE A 106 -1.753 -5.944 3.844 1.00 0.00 C ATOM 1672 CG1 ILE A 106 -1.761 -5.482 5.309 1.00 0.00 C ATOM 1673 CG2 ILE A 106 -3.146 -6.360 3.395 1.00 0.00 C ATOM 1674 CD1 ILE A 106 -2.619 -6.333 6.225 1.00 0.00 C ATOM 0 H ILE A 106 1.196 -6.331 3.877 1.00 0.00 H new ATOM 0 HA ILE A 106 -1.175 -8.029 3.982 1.00 0.00 H new ATOM 0 HB ILE A 106 -1.436 -5.097 3.235 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -0.738 -5.483 5.684 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -2.115 -4.452 5.351 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -3.842 -5.537 3.559 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -3.126 -6.613 2.335 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -3.469 -7.228 3.969 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -2.569 -5.939 7.240 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -3.652 -6.313 5.878 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -2.253 -7.360 6.216 1.00 0.00 H new ATOM 1686 N GLY A 107 -1.424 -7.646 1.337 1.00 0.00 N ATOM 1687 CA GLY A 107 -1.230 -7.750 -0.101 1.00 0.00 C ATOM 1688 C GLY A 107 -2.177 -6.855 -0.885 1.00 0.00 C ATOM 1689 O GLY A 107 -3.316 -6.640 -0.476 1.00 0.00 O ATOM 0 H GLY A 107 -2.341 -7.945 1.670 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -0.201 -7.486 -0.345 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -1.375 -8.785 -0.410 1.00 0.00 H new ATOM 1693 N ILE A 108 -1.704 -6.325 -2.011 1.00 0.00 N ATOM 1694 CA ILE A 108 -2.521 -5.452 -2.852 1.00 0.00 C ATOM 1695 C ILE A 108 -2.187 -5.652 -4.329 1.00 0.00 C ATOM 1696 O ILE A 108 -1.060 -6.011 -4.677 1.00 0.00 O ATOM 1697 CB ILE A 108 -2.322 -3.964 -2.487 1.00 0.00 C ATOM 1698 CG1 ILE A 108 -2.603 -3.733 -1.005 1.00 0.00 C ATOM 1699 CG2 ILE A 108 -3.212 -3.064 -3.336 1.00 0.00 C ATOM 1700 CD1 ILE A 108 -2.061 -2.419 -0.503 1.00 0.00 C ATOM 0 H ILE A 108 -0.760 -6.485 -2.362 1.00 0.00 H new ATOM 0 HA ILE A 108 -3.562 -5.722 -2.674 1.00 0.00 H new ATOM 0 HB ILE A 108 -1.283 -3.708 -2.693 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -3.679 -3.765 -0.835 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -2.165 -4.546 -0.426 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -3.050 -2.023 -3.056 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -2.967 -3.199 -4.389 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -4.257 -3.325 -3.171 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -2.292 -2.311 0.557 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -0.980 -2.394 -0.644 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -2.519 -1.601 -1.059 1.00 0.00 H new ATOM 1712 N GLY A 109 -3.167 -5.414 -5.197 1.00 0.00 N ATOM 1713 CA GLY A 109 -2.942 -5.569 -6.622 1.00 0.00 C ATOM 1714 C GLY A 109 -4.121 -5.121 -7.456 1.00 0.00 C ATOM 1715 O GLY A 109 -5.000 -4.404 -6.975 1.00 0.00 O ATOM 0 H GLY A 109 -4.109 -5.118 -4.940 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -2.061 -4.996 -6.910 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -2.726 -6.615 -6.839 1.00 0.00 H new ATOM 1719 N PHE A 110 -4.139 -5.545 -8.712 1.00 0.00 N ATOM 1720 CA PHE A 110 -5.215 -5.184 -9.620 1.00 0.00 C ATOM 1721 C PHE A 110 -5.377 -6.236 -10.707 1.00 0.00 C ATOM 1722 O PHE A 110 -4.435 -6.956 -11.036 1.00 0.00 O ATOM 1723 CB PHE A 110 -4.940 -3.825 -10.264 1.00 0.00 C ATOM 1724 CG PHE A 110 -4.940 -2.681 -9.295 1.00 0.00 C ATOM 1725 CD1 PHE A 110 -3.776 -2.307 -8.645 1.00 0.00 C ATOM 1726 CD2 PHE A 110 -6.101 -1.973 -9.045 1.00 0.00 C ATOM 1727 CE1 PHE A 110 -3.772 -1.246 -7.761 1.00 0.00 C ATOM 1728 CE2 PHE A 110 -6.103 -0.912 -8.164 1.00 0.00 C ATOM 1729 CZ PHE A 110 -4.937 -0.547 -7.519 1.00 0.00 C ATOM 0 H PHE A 110 -3.420 -6.139 -9.124 1.00 0.00 H new ATOM 0 HA PHE A 110 -6.137 -5.126 -9.041 1.00 0.00 H new ATOM 0 HB2 PHE A 110 -3.974 -3.862 -10.767 1.00 0.00 H new ATOM 0 HB3 PHE A 110 -5.692 -3.639 -11.031 1.00 0.00 H new ATOM 0 HD1 PHE A 110 -2.862 -2.851 -8.831 1.00 0.00 H new ATOM 0 HD2 PHE A 110 -7.016 -2.254 -9.545 1.00 0.00 H new ATOM 0 HE1 PHE A 110 -2.858 -0.964 -7.260 1.00 0.00 H new ATOM 0 HE2 PHE A 110 -7.016 -0.366 -7.978 1.00 0.00 H new ATOM 0 HZ PHE A 110 -4.937 0.283 -6.828 1.00 0.00 H new ATOM 1739 N THR A 111 -6.577 -6.310 -11.271 1.00 0.00 N ATOM 1740 CA THR A 111 -6.863 -7.265 -12.331 1.00 0.00 C ATOM 1741 C THR A 111 -6.051 -6.959 -13.596 1.00 0.00 C ATOM 1742 O THR A 111 -6.106 -7.708 -14.570 1.00 0.00 O ATOM 1743 CB THR A 111 -8.360 -7.270 -12.644 1.00 0.00 C ATOM 1744 OG1 THR A 111 -8.968 -6.064 -12.215 1.00 0.00 O ATOM 1745 CG2 THR A 111 -9.099 -8.415 -11.985 1.00 0.00 C ATOM 0 H THR A 111 -7.367 -5.719 -11.011 1.00 0.00 H new ATOM 0 HA THR A 111 -6.569 -8.255 -11.982 1.00 0.00 H new ATOM 0 HB THR A 111 -8.431 -7.382 -13.726 1.00 0.00 H new ATOM 0 HG1 THR A 111 -9.925 -6.087 -12.426 1.00 0.00 H new ATOM 0 HG21 THR A 111 -10.156 -8.363 -12.245 1.00 0.00 H new ATOM 0 HG22 THR A 111 -8.686 -9.362 -12.332 1.00 0.00 H new ATOM 0 HG23 THR A 111 -8.988 -8.345 -10.903 1.00 0.00 H new ATOM 1753 N ASP A 112 -5.297 -5.857 -13.575 1.00 0.00 N ATOM 1754 CA ASP A 112 -4.479 -5.466 -14.720 1.00 0.00 C ATOM 1755 C ASP A 112 -3.203 -4.767 -14.260 1.00 0.00 C ATOM 1756 O ASP A 112 -3.214 -4.017 -13.283 1.00 0.00 O ATOM 1757 CB ASP A 112 -5.275 -4.546 -15.650 1.00 0.00 C ATOM 1758 CG ASP A 112 -5.699 -5.244 -16.927 1.00 0.00 C ATOM 1759 OD1 ASP A 112 -4.816 -5.757 -17.645 1.00 0.00 O ATOM 1760 OD2 ASP A 112 -6.915 -5.278 -17.208 1.00 0.00 O ATOM 0 H ASP A 112 -5.238 -5.223 -12.778 1.00 0.00 H new ATOM 0 HA ASP A 112 -4.201 -6.368 -15.265 1.00 0.00 H new ATOM 0 HB2 ASP A 112 -6.159 -4.182 -15.127 1.00 0.00 H new ATOM 0 HB3 ASP A 112 -4.670 -3.674 -15.899 1.00 0.00 H new ATOM 1765 N ARG A 113 -2.104 -5.020 -14.969 1.00 0.00 N ATOM 1766 CA ARG A 113 -0.816 -4.417 -14.633 1.00 0.00 C ATOM 1767 C ARG A 113 -0.899 -2.893 -14.657 1.00 0.00 C ATOM 1768 O ARG A 113 -0.286 -2.217 -13.831 1.00 0.00 O ATOM 1769 CB ARG A 113 0.268 -4.887 -15.607 1.00 0.00 C ATOM 1770 CG ARG A 113 0.565 -6.376 -15.518 1.00 0.00 C ATOM 1771 CD ARG A 113 1.865 -6.646 -14.774 1.00 0.00 C ATOM 1772 NE ARG A 113 1.640 -7.382 -13.531 1.00 0.00 N ATOM 1773 CZ ARG A 113 1.785 -6.857 -12.314 1.00 0.00 C ATOM 1774 NH1 ARG A 113 2.150 -5.590 -12.162 1.00 0.00 N ATOM 1775 NH2 ARG A 113 1.561 -7.606 -11.242 1.00 0.00 N ATOM 0 H ARG A 113 -2.080 -5.639 -15.780 1.00 0.00 H new ATOM 0 HA ARG A 113 -0.555 -4.736 -13.624 1.00 0.00 H new ATOM 0 HB2 ARG A 113 -0.041 -4.647 -16.624 1.00 0.00 H new ATOM 0 HB3 ARG A 113 1.185 -4.330 -15.413 1.00 0.00 H new ATOM 0 HG2 ARG A 113 -0.257 -6.882 -15.011 1.00 0.00 H new ATOM 0 HG3 ARG A 113 0.626 -6.796 -16.522 1.00 0.00 H new ATOM 0 HD2 ARG A 113 2.539 -7.214 -15.415 1.00 0.00 H new ATOM 0 HD3 ARG A 113 2.359 -5.700 -14.551 1.00 0.00 H new ATOM 0 HE ARG A 113 1.354 -8.359 -13.599 1.00 0.00 H new ATOM 0 HH11 ARG A 113 2.323 -5.007 -12.981 1.00 0.00 H new ATOM 0 HH12 ARG A 113 2.258 -5.199 -11.226 1.00 0.00 H new ATOM 0 HH21 ARG A 113 1.279 -8.580 -11.350 1.00 0.00 H new ATOM 0 HH22 ARG A 113 1.671 -7.208 -10.309 1.00 0.00 H new ATOM 1789 N GLY A 114 -1.658 -2.360 -15.612 1.00 0.00 N ATOM 1790 CA GLY A 114 -1.808 -0.917 -15.734 1.00 0.00 C ATOM 1791 C GLY A 114 -2.061 -0.237 -14.401 1.00 0.00 C ATOM 1792 O GLY A 114 -1.327 0.669 -14.010 1.00 0.00 O ATOM 0 H GLY A 114 -2.173 -2.902 -16.305 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -0.907 -0.500 -16.184 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -2.634 -0.698 -16.411 1.00 0.00 H new ATOM 1796 N ASP A 115 -3.098 -0.682 -13.699 1.00 0.00 N ATOM 1797 CA ASP A 115 -3.441 -0.114 -12.402 1.00 0.00 C ATOM 1798 C ASP A 115 -2.347 -0.408 -11.376 1.00 0.00 C ATOM 1799 O ASP A 115 -1.948 0.468 -10.611 1.00 0.00 O ATOM 1800 CB ASP A 115 -4.778 -0.675 -11.917 1.00 0.00 C ATOM 1801 CG ASP A 115 -5.833 0.400 -11.748 1.00 0.00 C ATOM 1802 OD1 ASP A 115 -5.578 1.371 -11.004 1.00 0.00 O ATOM 1803 OD2 ASP A 115 -6.914 0.270 -12.356 1.00 0.00 O ATOM 0 H ASP A 115 -3.715 -1.434 -14.007 1.00 0.00 H new ATOM 0 HA ASP A 115 -3.528 0.967 -12.514 1.00 0.00 H new ATOM 0 HB2 ASP A 115 -5.135 -1.420 -12.628 1.00 0.00 H new ATOM 0 HB3 ASP A 115 -4.630 -1.187 -10.966 1.00 0.00 H new ATOM 1808 N ALA A 116 -1.864 -1.649 -11.370 1.00 0.00 N ATOM 1809 CA ALA A 116 -0.814 -2.058 -10.443 1.00 0.00 C ATOM 1810 C ALA A 116 0.380 -1.114 -10.520 1.00 0.00 C ATOM 1811 O ALA A 116 1.035 -0.841 -9.515 1.00 0.00 O ATOM 1812 CB ALA A 116 -0.380 -3.486 -10.737 1.00 0.00 C ATOM 0 H ALA A 116 -2.184 -2.387 -11.997 1.00 0.00 H new ATOM 0 HA ALA A 116 -1.216 -2.013 -9.431 1.00 0.00 H new ATOM 0 HB1 ALA A 116 0.404 -3.779 -10.039 1.00 0.00 H new ATOM 0 HB2 ALA A 116 -1.233 -4.156 -10.627 1.00 0.00 H new ATOM 0 HB3 ALA A 116 0.001 -3.548 -11.756 1.00 0.00 H new ATOM 1818 N PHE A 117 0.652 -0.613 -11.720 1.00 0.00 N ATOM 1819 CA PHE A 117 1.761 0.308 -11.929 1.00 0.00 C ATOM 1820 C PHE A 117 1.447 1.664 -11.302 1.00 0.00 C ATOM 1821 O PHE A 117 2.156 2.121 -10.405 1.00 0.00 O ATOM 1822 CB PHE A 117 2.043 0.456 -13.429 1.00 0.00 C ATOM 1823 CG PHE A 117 3.047 1.523 -13.765 1.00 0.00 C ATOM 1824 CD1 PHE A 117 4.405 1.251 -13.734 1.00 0.00 C ATOM 1825 CD2 PHE A 117 2.630 2.795 -14.122 1.00 0.00 C ATOM 1826 CE1 PHE A 117 5.328 2.229 -14.049 1.00 0.00 C ATOM 1827 CE2 PHE A 117 3.548 3.776 -14.440 1.00 0.00 C ATOM 1828 CZ PHE A 117 4.900 3.493 -14.405 1.00 0.00 C ATOM 0 H PHE A 117 0.119 -0.830 -12.562 1.00 0.00 H new ATOM 0 HA PHE A 117 2.652 -0.093 -11.446 1.00 0.00 H new ATOM 0 HB2 PHE A 117 2.400 -0.498 -13.816 1.00 0.00 H new ATOM 0 HB3 PHE A 117 1.108 0.678 -13.943 1.00 0.00 H new ATOM 0 HD1 PHE A 117 4.746 0.263 -13.461 1.00 0.00 H new ATOM 0 HD2 PHE A 117 1.575 3.022 -14.152 1.00 0.00 H new ATOM 0 HE1 PHE A 117 6.384 2.005 -14.017 1.00 0.00 H new ATOM 0 HE2 PHE A 117 3.210 4.764 -14.716 1.00 0.00 H new ATOM 0 HZ PHE A 117 5.620 4.258 -14.655 1.00 0.00 H new ATOM 1838 N ASP A 118 0.377 2.297 -11.777 1.00 0.00 N ATOM 1839 CA ASP A 118 -0.046 3.603 -11.269 1.00 0.00 C ATOM 1840 C ASP A 118 0.051 3.670 -9.745 1.00 0.00 C ATOM 1841 O ASP A 118 0.585 4.632 -9.191 1.00 0.00 O ATOM 1842 CB ASP A 118 -1.482 3.902 -11.712 1.00 0.00 C ATOM 1843 CG ASP A 118 -1.540 4.915 -12.840 1.00 0.00 C ATOM 1844 OD1 ASP A 118 -1.330 4.518 -14.005 1.00 0.00 O ATOM 1845 OD2 ASP A 118 -1.796 6.104 -12.557 1.00 0.00 O ATOM 0 H ASP A 118 -0.217 1.925 -12.518 1.00 0.00 H new ATOM 0 HA ASP A 118 0.626 4.354 -11.684 1.00 0.00 H new ATOM 0 HB2 ASP A 118 -1.960 2.977 -12.033 1.00 0.00 H new ATOM 0 HB3 ASP A 118 -2.051 4.277 -10.861 1.00 0.00 H new ATOM 1850 N PHE A 119 -0.467 2.646 -9.071 1.00 0.00 N ATOM 1851 CA PHE A 119 -0.435 2.600 -7.611 1.00 0.00 C ATOM 1852 C PHE A 119 0.992 2.768 -7.097 1.00 0.00 C ATOM 1853 O PHE A 119 1.308 3.745 -6.420 1.00 0.00 O ATOM 1854 CB PHE A 119 -1.043 1.282 -7.104 1.00 0.00 C ATOM 1855 CG PHE A 119 -0.390 0.742 -5.863 1.00 0.00 C ATOM 1856 CD1 PHE A 119 -0.722 1.240 -4.614 1.00 0.00 C ATOM 1857 CD2 PHE A 119 0.556 -0.264 -5.951 1.00 0.00 C ATOM 1858 CE1 PHE A 119 -0.118 0.747 -3.474 1.00 0.00 C ATOM 1859 CE2 PHE A 119 1.165 -0.761 -4.817 1.00 0.00 C ATOM 1860 CZ PHE A 119 0.826 -0.257 -3.576 1.00 0.00 C ATOM 0 H PHE A 119 -0.912 1.840 -9.510 1.00 0.00 H new ATOM 0 HA PHE A 119 -1.033 3.426 -7.227 1.00 0.00 H new ATOM 0 HB2 PHE A 119 -2.104 1.436 -6.906 1.00 0.00 H new ATOM 0 HB3 PHE A 119 -0.972 0.534 -7.894 1.00 0.00 H new ATOM 0 HD1 PHE A 119 -1.462 2.023 -4.531 1.00 0.00 H new ATOM 0 HD2 PHE A 119 0.821 -0.665 -6.918 1.00 0.00 H new ATOM 0 HE1 PHE A 119 -0.383 1.145 -2.506 1.00 0.00 H new ATOM 0 HE2 PHE A 119 1.906 -1.543 -4.899 1.00 0.00 H new ATOM 0 HZ PHE A 119 1.298 -0.647 -2.687 1.00 0.00 H new ATOM 1870 N ASN A 120 1.846 1.805 -7.422 1.00 0.00 N ATOM 1871 CA ASN A 120 3.239 1.837 -6.991 1.00 0.00 C ATOM 1872 C ASN A 120 3.873 3.199 -7.272 1.00 0.00 C ATOM 1873 O ASN A 120 4.488 3.799 -6.391 1.00 0.00 O ATOM 1874 CB ASN A 120 4.038 0.733 -7.688 1.00 0.00 C ATOM 1875 CG ASN A 120 5.349 0.434 -6.984 1.00 0.00 C ATOM 1876 OD1 ASN A 120 5.606 0.931 -5.888 1.00 0.00 O ATOM 1877 ND2 ASN A 120 6.187 -0.384 -7.614 1.00 0.00 N ATOM 0 H ASN A 120 1.598 0.991 -7.984 1.00 0.00 H new ATOM 0 HA ASN A 120 3.260 1.667 -5.915 1.00 0.00 H new ATOM 0 HB2 ASN A 120 3.437 -0.175 -7.731 1.00 0.00 H new ATOM 0 HB3 ASN A 120 4.241 1.030 -8.717 1.00 0.00 H new ATOM 0 HD21 ASN A 120 7.083 -0.622 -7.189 1.00 0.00 H new ATOM 0 HD22 ASN A 120 5.933 -0.774 -8.522 1.00 0.00 H new ATOM 1884 N VAL A 121 3.725 3.678 -8.505 1.00 0.00 N ATOM 1885 CA VAL A 121 4.290 4.967 -8.897 1.00 0.00 C ATOM 1886 C VAL A 121 3.832 6.085 -7.964 1.00 0.00 C ATOM 1887 O VAL A 121 4.634 6.917 -7.540 1.00 0.00 O ATOM 1888 CB VAL A 121 3.911 5.336 -10.345 1.00 0.00 C ATOM 1889 CG1 VAL A 121 4.570 6.644 -10.760 1.00 0.00 C ATOM 1890 CG2 VAL A 121 4.292 4.216 -11.301 1.00 0.00 C ATOM 0 H VAL A 121 3.220 3.195 -9.248 1.00 0.00 H new ATOM 0 HA VAL A 121 5.373 4.863 -8.828 1.00 0.00 H new ATOM 0 HB VAL A 121 2.830 5.471 -10.389 1.00 0.00 H new ATOM 0 HG11 VAL A 121 4.288 6.884 -11.785 1.00 0.00 H new ATOM 0 HG12 VAL A 121 4.241 7.444 -10.096 1.00 0.00 H new ATOM 0 HG13 VAL A 121 5.653 6.542 -10.696 1.00 0.00 H new ATOM 0 HG21 VAL A 121 4.016 4.496 -12.318 1.00 0.00 H new ATOM 0 HG22 VAL A 121 5.367 4.045 -11.251 1.00 0.00 H new ATOM 0 HG23 VAL A 121 3.766 3.304 -11.021 1.00 0.00 H new ATOM 1900 N SER A 122 2.539 6.102 -7.649 1.00 0.00 N ATOM 1901 CA SER A 122 1.978 7.124 -6.769 1.00 0.00 C ATOM 1902 C SER A 122 2.725 7.172 -5.440 1.00 0.00 C ATOM 1903 O SER A 122 3.291 8.203 -5.072 1.00 0.00 O ATOM 1904 CB SER A 122 0.492 6.862 -6.521 1.00 0.00 C ATOM 1905 OG SER A 122 0.307 5.839 -5.558 1.00 0.00 O ATOM 0 H SER A 122 1.861 5.421 -7.990 1.00 0.00 H new ATOM 0 HA SER A 122 2.091 8.088 -7.264 1.00 0.00 H new ATOM 0 HB2 SER A 122 0.010 7.778 -6.180 1.00 0.00 H new ATOM 0 HB3 SER A 122 0.009 6.577 -7.456 1.00 0.00 H new ATOM 0 HG SER A 122 0.317 4.966 -6.002 1.00 0.00 H new ATOM 1911 N LEU A 123 2.728 6.050 -4.726 1.00 0.00 N ATOM 1912 CA LEU A 123 3.411 5.962 -3.437 1.00 0.00 C ATOM 1913 C LEU A 123 4.814 6.552 -3.529 1.00 0.00 C ATOM 1914 O LEU A 123 5.326 7.109 -2.561 1.00 0.00 O ATOM 1915 CB LEU A 123 3.491 4.503 -2.973 1.00 0.00 C ATOM 1916 CG LEU A 123 3.083 4.260 -1.519 1.00 0.00 C ATOM 1917 CD1 LEU A 123 1.664 4.749 -1.273 1.00 0.00 C ATOM 1918 CD2 LEU A 123 3.207 2.784 -1.175 1.00 0.00 C ATOM 0 H LEU A 123 2.266 5.189 -5.017 1.00 0.00 H new ATOM 0 HA LEU A 123 2.837 6.536 -2.710 1.00 0.00 H new ATOM 0 HB2 LEU A 123 2.855 3.898 -3.618 1.00 0.00 H new ATOM 0 HB3 LEU A 123 4.513 4.150 -3.111 1.00 0.00 H new ATOM 0 HG LEU A 123 3.755 4.824 -0.872 1.00 0.00 H new ATOM 0 HD11 LEU A 123 1.392 4.568 -0.233 1.00 0.00 H new ATOM 0 HD12 LEU A 123 1.606 5.817 -1.482 1.00 0.00 H new ATOM 0 HD13 LEU A 123 0.976 4.213 -1.927 1.00 0.00 H new ATOM 0 HD21 LEU A 123 2.913 2.626 -0.137 1.00 0.00 H new ATOM 0 HD22 LEU A 123 2.557 2.202 -1.828 1.00 0.00 H new ATOM 0 HD23 LEU A 123 4.240 2.464 -1.312 1.00 0.00 H new ATOM 1930 N GLN A 124 5.422 6.425 -4.705 1.00 0.00 N ATOM 1931 CA GLN A 124 6.766 6.939 -4.947 1.00 0.00 C ATOM 1932 C GLN A 124 6.760 8.460 -5.087 1.00 0.00 C ATOM 1933 O GLN A 124 7.558 9.157 -4.460 1.00 0.00 O ATOM 1934 CB GLN A 124 7.338 6.298 -6.215 1.00 0.00 C ATOM 1935 CG GLN A 124 8.855 6.320 -6.281 1.00 0.00 C ATOM 1936 CD GLN A 124 9.492 5.187 -5.501 1.00 0.00 C ATOM 1937 OE1 GLN A 124 8.814 4.457 -4.777 1.00 0.00 O ATOM 1938 NE2 GLN A 124 10.804 5.030 -5.649 1.00 0.00 N ATOM 0 H GLN A 124 5.000 5.966 -5.512 1.00 0.00 H new ATOM 0 HA GLN A 124 7.392 6.684 -4.092 1.00 0.00 H new ATOM 0 HB2 GLN A 124 6.996 5.265 -6.275 1.00 0.00 H new ATOM 0 HB3 GLN A 124 6.938 6.817 -7.086 1.00 0.00 H new ATOM 0 HG2 GLN A 124 9.170 6.260 -7.323 1.00 0.00 H new ATOM 0 HG3 GLN A 124 9.218 7.272 -5.892 1.00 0.00 H new ATOM 0 HE21 GLN A 124 11.327 5.658 -6.259 1.00 0.00 H new ATOM 0 HE22 GLN A 124 11.287 4.282 -5.152 1.00 0.00 H new ATOM 1947 N ASP A 125 5.854 8.969 -5.915 1.00 0.00 N ATOM 1948 CA ASP A 125 5.738 10.407 -6.144 1.00 0.00 C ATOM 1949 C ASP A 125 5.696 11.175 -4.825 1.00 0.00 C ATOM 1950 O ASP A 125 6.451 12.127 -4.625 1.00 0.00 O ATOM 1951 CB ASP A 125 4.478 10.705 -6.960 1.00 0.00 C ATOM 1952 CG ASP A 125 4.781 11.001 -8.417 1.00 0.00 C ATOM 1953 OD1 ASP A 125 5.975 11.137 -8.763 1.00 0.00 O ATOM 1954 OD2 ASP A 125 3.824 11.096 -9.213 1.00 0.00 O ATOM 0 H ASP A 125 5.186 8.405 -6.441 1.00 0.00 H new ATOM 0 HA ASP A 125 6.617 10.734 -6.699 1.00 0.00 H new ATOM 0 HB2 ASP A 125 3.801 9.853 -6.900 1.00 0.00 H new ATOM 0 HB3 ASP A 125 3.958 11.557 -6.521 1.00 0.00 H new ATOM 1959 N HIS A 126 4.807 10.756 -3.933 1.00 0.00 N ATOM 1960 CA HIS A 126 4.661 11.403 -2.634 1.00 0.00 C ATOM 1961 C HIS A 126 5.816 11.045 -1.703 1.00 0.00 C ATOM 1962 O HIS A 126 6.330 11.903 -0.982 1.00 0.00 O ATOM 1963 CB HIS A 126 3.335 10.999 -1.991 1.00 0.00 C ATOM 1964 CG HIS A 126 2.132 11.365 -2.809 1.00 0.00 C ATOM 1965 ND1 HIS A 126 0.849 10.987 -2.472 1.00 0.00 N ATOM 1966 CD2 HIS A 126 2.020 12.077 -3.957 1.00 0.00 C ATOM 1967 CE1 HIS A 126 0.000 11.447 -3.375 1.00 0.00 C ATOM 1968 NE2 HIS A 126 0.685 12.113 -4.287 1.00 0.00 N ATOM 0 H HIS A 126 4.175 9.970 -4.085 1.00 0.00 H new ATOM 0 HA HIS A 126 4.673 12.481 -2.794 1.00 0.00 H new ATOM 0 HB2 HIS A 126 3.336 9.922 -1.824 1.00 0.00 H new ATOM 0 HB3 HIS A 126 3.256 11.473 -1.013 1.00 0.00 H new ATOM 0 HD2 HIS A 126 2.829 12.532 -4.510 1.00 0.00 H new ATOM 0 HE1 HIS A 126 -1.070 11.303 -3.368 1.00 0.00 H new ATOM 0 HE2 HIS A 126 0.289 12.578 -5.103 1.00 0.00 H new ATOM 1976 N PHE A 127 6.218 9.775 -1.715 1.00 0.00 N ATOM 1977 CA PHE A 127 7.312 9.304 -0.864 1.00 0.00 C ATOM 1978 C PHE A 127 8.507 10.254 -0.916 1.00 0.00 C ATOM 1979 O PHE A 127 8.739 11.028 0.014 1.00 0.00 O ATOM 1980 CB PHE A 127 7.756 7.900 -1.290 1.00 0.00 C ATOM 1981 CG PHE A 127 7.727 6.897 -0.175 1.00 0.00 C ATOM 1982 CD1 PHE A 127 6.577 6.702 0.569 1.00 0.00 C ATOM 1983 CD2 PHE A 127 8.854 6.152 0.129 1.00 0.00 C ATOM 1984 CE1 PHE A 127 6.550 5.778 1.597 1.00 0.00 C ATOM 1985 CE2 PHE A 127 8.834 5.228 1.156 1.00 0.00 C ATOM 1986 CZ PHE A 127 7.681 5.041 1.891 1.00 0.00 C ATOM 0 H PHE A 127 5.803 9.053 -2.304 1.00 0.00 H new ATOM 0 HA PHE A 127 6.940 9.272 0.160 1.00 0.00 H new ATOM 0 HB2 PHE A 127 7.110 7.553 -2.097 1.00 0.00 H new ATOM 0 HB3 PHE A 127 8.768 7.954 -1.692 1.00 0.00 H new ATOM 0 HD1 PHE A 127 5.691 7.278 0.344 1.00 0.00 H new ATOM 0 HD2 PHE A 127 9.759 6.295 -0.443 1.00 0.00 H new ATOM 0 HE1 PHE A 127 5.646 5.632 2.170 1.00 0.00 H new ATOM 0 HE2 PHE A 127 9.719 4.653 1.383 1.00 0.00 H new ATOM 0 HZ PHE A 127 7.663 4.320 2.695 1.00 0.00 H new ATOM 1996 N LYS A 128 9.262 10.186 -2.009 1.00 0.00 N ATOM 1997 CA LYS A 128 10.434 11.035 -2.184 1.00 0.00 C ATOM 1998 C LYS A 128 10.038 12.404 -2.721 1.00 0.00 C ATOM 1999 O LYS A 128 8.880 12.637 -3.069 1.00 0.00 O ATOM 2000 CB LYS A 128 11.434 10.376 -3.135 1.00 0.00 C ATOM 2001 CG LYS A 128 10.909 10.230 -4.553 1.00 0.00 C ATOM 2002 CD LYS A 128 10.800 8.774 -4.964 1.00 0.00 C ATOM 2003 CE LYS A 128 12.048 8.291 -5.682 1.00 0.00 C ATOM 2004 NZ LYS A 128 12.419 9.184 -6.814 1.00 0.00 N ATOM 0 H LYS A 128 9.082 9.551 -2.787 1.00 0.00 H new ATOM 0 HA LYS A 128 10.902 11.166 -1.208 1.00 0.00 H new ATOM 0 HB2 LYS A 128 12.350 10.966 -3.153 1.00 0.00 H new ATOM 0 HB3 LYS A 128 11.697 9.391 -2.749 1.00 0.00 H new ATOM 0 HG2 LYS A 128 9.930 10.704 -4.629 1.00 0.00 H new ATOM 0 HG3 LYS A 128 11.571 10.754 -5.242 1.00 0.00 H new ATOM 0 HD2 LYS A 128 10.630 8.159 -4.080 1.00 0.00 H new ATOM 0 HD3 LYS A 128 9.935 8.644 -5.614 1.00 0.00 H new ATOM 0 HE2 LYS A 128 12.876 8.238 -4.975 1.00 0.00 H new ATOM 0 HE3 LYS A 128 11.883 7.280 -6.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 12.940 8.639 -7.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 11.557 9.581 -7.240 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 13.020 9.957 -6.464 1.00 0.00 H new ATOM 2018 N TRP A 129 11.008 13.306 -2.786 1.00 0.00 N ATOM 2019 CA TRP A 129 10.763 14.651 -3.280 1.00 0.00 C ATOM 2020 C TRP A 129 11.007 14.737 -4.782 1.00 0.00 C ATOM 2021 O TRP A 129 12.083 14.383 -5.268 1.00 0.00 O ATOM 2022 CB TRP A 129 11.654 15.653 -2.548 1.00 0.00 C ATOM 2023 CG TRP A 129 11.232 15.887 -1.132 1.00 0.00 C ATOM 2024 CD1 TRP A 129 9.977 16.192 -0.692 1.00 0.00 C ATOM 2025 CD2 TRP A 129 12.065 15.831 0.031 1.00 0.00 C ATOM 2026 NE1 TRP A 129 9.977 16.333 0.676 1.00 0.00 N ATOM 2027 CE2 TRP A 129 11.248 16.114 1.142 1.00 0.00 C ATOM 2028 CE3 TRP A 129 13.421 15.567 0.240 1.00 0.00 C ATOM 2029 CZ2 TRP A 129 11.744 16.145 2.442 1.00 0.00 C ATOM 2030 CZ3 TRP A 129 13.913 15.598 1.532 1.00 0.00 C ATOM 2031 CH2 TRP A 129 13.076 15.882 2.619 1.00 0.00 C ATOM 0 H TRP A 129 11.972 13.129 -2.502 1.00 0.00 H new ATOM 0 HA TRP A 129 9.718 14.895 -3.089 1.00 0.00 H new ATOM 0 HB2 TRP A 129 12.682 15.292 -2.560 1.00 0.00 H new ATOM 0 HB3 TRP A 129 11.643 16.601 -3.086 1.00 0.00 H new ATOM 0 HD1 TRP A 129 9.110 16.306 -1.326 1.00 0.00 H new ATOM 0 HE1 TRP A 129 9.165 16.563 1.250 1.00 0.00 H new ATOM 0 HE3 TRP A 129 14.073 15.343 -0.592 1.00 0.00 H new ATOM 0 HZ2 TRP A 129 11.101 16.368 3.281 1.00 0.00 H new ATOM 0 HZ3 TRP A 129 14.960 15.400 1.706 1.00 0.00 H new ATOM 0 HH2 TRP A 129 13.490 15.894 3.617 1.00 0.00 H new