USER MOD reduce.3.24.130724 H: found=0, std=0, add=654, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 656 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 17 LYS NZ :NH3+ 151:sc= 1.11 (180deg=1) USER MOD Set 1.2: A 88 THR OG1 : rot -90:sc= 0.66 USER MOD Single : A 25 SER OG : rot -160:sc= -0.0161 USER MOD Single : A 29 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= -0.424 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 GLN : amide:sc= -1.26 K(o=-1.3,f=-5.6!) USER MOD Single : A 60 GLN : amide:sc= -0.0514 K(o=-0.051,f=-1.3) USER MOD Single : A 62 ASN : amide:sc= -4.47! C(o=-4.5!,f=-4.5!) USER MOD Single : A 64 GLN : amide:sc= 0 K(o=0,f=-0.83) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 GLN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 79 ASN : amide:sc= -0.0917 X(o=-0.092,f=-0.33) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc= -0.056 X(o=-0.056,f=0) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 ASN : amide:sc= -0.0835 X(o=-0.084,f=-0.35) USER MOD ----------------------------------------------------------------- ATOM 85 N GLU A 9 -10.311 4.107 7.317 1.00 0.00 N ATOM 86 CA GLU A 9 -9.708 4.444 8.595 1.00 0.00 C ATOM 87 C GLU A 9 -8.188 4.544 8.455 1.00 0.00 C ATOM 88 O GLU A 9 -7.492 3.530 8.456 1.00 0.00 O ATOM 89 CB GLU A 9 -10.094 3.425 9.670 1.00 0.00 C ATOM 90 CG GLU A 9 -8.933 3.183 10.637 1.00 0.00 C ATOM 91 CD GLU A 9 -9.442 2.670 11.986 1.00 0.00 C ATOM 92 OE1 GLU A 9 -10.049 1.577 11.985 1.00 0.00 O ATOM 93 OE2 GLU A 9 -9.212 3.382 12.987 1.00 0.00 O ATOM 0 HA GLU A 9 -10.089 5.416 8.909 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -10.963 3.784 10.222 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -10.382 2.485 9.199 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -8.241 2.460 10.206 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -8.377 4.109 10.782 1.00 0.00 H new ATOM 100 N LEU A 10 -7.716 5.777 8.338 1.00 0.00 N ATOM 101 CA LEU A 10 -6.291 6.023 8.197 1.00 0.00 C ATOM 102 C LEU A 10 -5.685 6.292 9.576 1.00 0.00 C ATOM 103 O LEU A 10 -5.959 7.324 10.187 1.00 0.00 O ATOM 104 CB LEU A 10 -6.038 7.142 7.185 1.00 0.00 C ATOM 105 CG LEU A 10 -6.701 6.972 5.817 1.00 0.00 C ATOM 106 CD1 LEU A 10 -6.765 5.497 5.418 1.00 0.00 C ATOM 107 CD2 LEU A 10 -8.081 7.633 5.791 1.00 0.00 C ATOM 0 H LEU A 10 -8.296 6.616 8.338 1.00 0.00 H new ATOM 0 HA LEU A 10 -5.790 5.142 7.795 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -6.381 8.081 7.619 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -4.962 7.234 7.036 1.00 0.00 H new ATOM 0 HG LEU A 10 -6.086 7.480 5.074 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -7.241 5.404 4.442 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -5.755 5.089 5.370 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -7.345 4.945 6.158 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -8.531 7.498 4.807 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -8.718 7.175 6.547 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -7.978 8.698 6.000 1.00 0.00 H new ATOM 119 N PHE A 11 -4.874 5.346 10.026 1.00 0.00 N ATOM 120 CA PHE A 11 -4.228 5.468 11.321 1.00 0.00 C ATOM 121 C PHE A 11 -2.729 5.176 11.216 1.00 0.00 C ATOM 122 O PHE A 11 -2.328 4.179 10.619 1.00 0.00 O ATOM 123 CB PHE A 11 -4.874 4.432 12.243 1.00 0.00 C ATOM 124 CG PHE A 11 -4.878 3.011 11.675 1.00 0.00 C ATOM 125 CD1 PHE A 11 -5.770 2.667 10.709 1.00 0.00 C ATOM 126 CD2 PHE A 11 -3.988 2.091 12.138 1.00 0.00 C ATOM 127 CE1 PHE A 11 -5.774 1.349 10.182 1.00 0.00 C ATOM 128 CE2 PHE A 11 -3.992 0.773 11.611 1.00 0.00 C ATOM 129 CZ PHE A 11 -4.885 0.429 10.644 1.00 0.00 C ATOM 0 H PHE A 11 -4.650 4.491 9.516 1.00 0.00 H new ATOM 0 HA PHE A 11 -4.348 6.482 11.702 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -4.346 4.430 13.197 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -5.901 4.733 12.448 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -6.476 3.397 10.342 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -3.279 2.364 12.906 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -6.483 1.077 9.414 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -3.286 0.043 11.978 1.00 0.00 H new ATOM 0 HZ PHE A 11 -4.888 -0.574 10.243 1.00 0.00 H new ATOM 139 N PRO A 12 -1.923 6.089 11.822 1.00 0.00 N ATOM 140 CA PRO A 12 -0.477 5.939 11.802 1.00 0.00 C ATOM 141 C PRO A 12 -0.026 4.845 12.772 1.00 0.00 C ATOM 142 O PRO A 12 -0.354 4.886 13.957 1.00 0.00 O ATOM 143 CB PRO A 12 0.065 7.312 12.162 1.00 0.00 C ATOM 144 CG PRO A 12 -1.085 8.055 12.822 1.00 0.00 C ATOM 145 CD PRO A 12 -2.363 7.282 12.539 1.00 0.00 C ATOM 0 HA PRO A 12 -0.100 5.619 10.831 1.00 0.00 H new ATOM 0 HB2 PRO A 12 0.916 7.231 12.838 1.00 0.00 H new ATOM 0 HB3 PRO A 12 0.412 7.840 11.274 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -0.919 8.138 13.896 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -1.158 9.070 12.431 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -2.881 7.021 13.462 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -3.057 7.871 11.940 1.00 0.00 H new ATOM 153 N VAL A 13 0.719 3.892 12.232 1.00 0.00 N ATOM 154 CA VAL A 13 1.219 2.788 13.035 1.00 0.00 C ATOM 155 C VAL A 13 2.748 2.831 13.058 1.00 0.00 C ATOM 156 O VAL A 13 3.391 2.752 12.012 1.00 0.00 O ATOM 157 CB VAL A 13 0.667 1.463 12.505 1.00 0.00 C ATOM 158 CG1 VAL A 13 1.463 0.278 13.055 1.00 0.00 C ATOM 159 CG2 VAL A 13 -0.822 1.321 12.829 1.00 0.00 C ATOM 0 H VAL A 13 0.989 3.861 11.249 1.00 0.00 H new ATOM 0 HA VAL A 13 0.875 2.879 14.065 1.00 0.00 H new ATOM 0 HB VAL A 13 0.776 1.465 11.420 1.00 0.00 H new ATOM 0 HG11 VAL A 13 1.050 -0.651 12.663 1.00 0.00 H new ATOM 0 HG12 VAL A 13 2.506 0.368 12.752 1.00 0.00 H new ATOM 0 HG13 VAL A 13 1.401 0.272 14.143 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -1.190 0.371 12.441 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -0.964 1.352 13.909 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -1.374 2.139 12.367 1.00 0.00 H new ATOM 169 N GLU A 14 3.287 2.957 14.262 1.00 0.00 N ATOM 170 CA GLU A 14 4.729 3.012 14.435 1.00 0.00 C ATOM 171 C GLU A 14 5.320 1.600 14.414 1.00 0.00 C ATOM 172 O GLU A 14 4.744 0.674 14.983 1.00 0.00 O ATOM 173 CB GLU A 14 5.098 3.742 15.727 1.00 0.00 C ATOM 174 CG GLU A 14 5.082 5.258 15.524 1.00 0.00 C ATOM 175 CD GLU A 14 4.238 5.947 16.598 1.00 0.00 C ATOM 176 OE1 GLU A 14 3.092 5.490 16.799 1.00 0.00 O ATOM 177 OE2 GLU A 14 4.757 6.915 17.194 1.00 0.00 O ATOM 0 H GLU A 14 2.751 3.023 15.127 1.00 0.00 H new ATOM 0 HA GLU A 14 5.154 3.575 13.604 1.00 0.00 H new ATOM 0 HB2 GLU A 14 4.397 3.470 16.516 1.00 0.00 H new ATOM 0 HB3 GLU A 14 6.088 3.426 16.057 1.00 0.00 H new ATOM 0 HG2 GLU A 14 6.101 5.643 15.555 1.00 0.00 H new ATOM 0 HG3 GLU A 14 4.683 5.492 14.537 1.00 0.00 H new ATOM 184 N LEU A 15 6.462 1.481 13.754 1.00 0.00 N ATOM 185 CA LEU A 15 7.137 0.199 13.652 1.00 0.00 C ATOM 186 C LEU A 15 8.648 0.413 13.764 1.00 0.00 C ATOM 187 O LEU A 15 9.190 1.355 13.188 1.00 0.00 O ATOM 188 CB LEU A 15 6.712 -0.530 12.375 1.00 0.00 C ATOM 189 CG LEU A 15 5.627 -1.596 12.542 1.00 0.00 C ATOM 190 CD1 LEU A 15 5.349 -2.307 11.216 1.00 0.00 C ATOM 191 CD2 LEU A 15 5.992 -2.581 13.654 1.00 0.00 C ATOM 0 H LEU A 15 6.937 2.252 13.284 1.00 0.00 H new ATOM 0 HA LEU A 15 6.845 -0.452 14.476 1.00 0.00 H new ATOM 0 HB2 LEU A 15 6.359 0.211 11.658 1.00 0.00 H new ATOM 0 HB3 LEU A 15 7.593 -1.001 11.939 1.00 0.00 H new ATOM 0 HG LEU A 15 4.704 -1.100 12.842 1.00 0.00 H new ATOM 0 HD11 LEU A 15 4.574 -3.060 11.362 1.00 0.00 H new ATOM 0 HD12 LEU A 15 5.014 -1.580 10.477 1.00 0.00 H new ATOM 0 HD13 LEU A 15 6.261 -2.789 10.863 1.00 0.00 H new ATOM 0 HD21 LEU A 15 5.204 -3.328 13.752 1.00 0.00 H new ATOM 0 HD22 LEU A 15 6.932 -3.075 13.408 1.00 0.00 H new ATOM 0 HD23 LEU A 15 6.100 -2.043 14.596 1.00 0.00 H new ATOM 203 N GLU A 16 9.286 -0.478 14.509 1.00 0.00 N ATOM 204 CA GLU A 16 10.723 -0.399 14.704 1.00 0.00 C ATOM 205 C GLU A 16 11.433 -1.456 13.855 1.00 0.00 C ATOM 206 O GLU A 16 11.329 -2.650 14.130 1.00 0.00 O ATOM 207 CB GLU A 16 11.085 -0.550 16.183 1.00 0.00 C ATOM 208 CG GLU A 16 11.605 0.769 16.757 1.00 0.00 C ATOM 209 CD GLU A 16 12.582 0.519 17.908 1.00 0.00 C ATOM 210 OE1 GLU A 16 13.775 0.308 17.604 1.00 0.00 O ATOM 211 OE2 GLU A 16 12.112 0.544 19.066 1.00 0.00 O ATOM 0 H GLU A 16 8.833 -1.258 14.985 1.00 0.00 H new ATOM 0 HA GLU A 16 11.060 0.586 14.380 1.00 0.00 H new ATOM 0 HB2 GLU A 16 10.209 -0.875 16.744 1.00 0.00 H new ATOM 0 HB3 GLU A 16 11.843 -1.325 16.298 1.00 0.00 H new ATOM 0 HG2 GLU A 16 12.100 1.341 15.972 1.00 0.00 H new ATOM 0 HG3 GLU A 16 10.768 1.371 17.110 1.00 0.00 H new ATOM 218 N LYS A 17 12.139 -0.978 12.840 1.00 0.00 N ATOM 219 CA LYS A 17 12.865 -1.866 11.950 1.00 0.00 C ATOM 220 C LYS A 17 13.518 -2.981 12.769 1.00 0.00 C ATOM 221 O LYS A 17 13.775 -2.812 13.960 1.00 0.00 O ATOM 222 CB LYS A 17 13.854 -1.074 11.092 1.00 0.00 C ATOM 223 CG LYS A 17 13.174 -0.529 9.834 1.00 0.00 C ATOM 224 CD LYS A 17 14.196 0.112 8.892 1.00 0.00 C ATOM 225 CE LYS A 17 13.864 -0.197 7.431 1.00 0.00 C ATOM 226 NZ LYS A 17 14.686 0.636 6.525 1.00 0.00 N ATOM 0 H LYS A 17 12.223 0.013 12.615 1.00 0.00 H new ATOM 0 HA LYS A 17 12.181 -2.344 11.249 1.00 0.00 H new ATOM 0 HB2 LYS A 17 14.266 -0.249 11.673 1.00 0.00 H new ATOM 0 HB3 LYS A 17 14.690 -1.714 10.810 1.00 0.00 H new ATOM 0 HG2 LYS A 17 12.655 -1.337 9.318 1.00 0.00 H new ATOM 0 HG3 LYS A 17 12.420 0.207 10.114 1.00 0.00 H new ATOM 0 HD2 LYS A 17 14.210 1.191 9.045 1.00 0.00 H new ATOM 0 HD3 LYS A 17 15.194 -0.257 9.128 1.00 0.00 H new ATOM 0 HE2 LYS A 17 14.043 -1.253 7.227 1.00 0.00 H new ATOM 0 HE3 LYS A 17 12.806 -0.012 7.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 14.837 0.129 5.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 14.194 1.533 6.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 15.605 0.832 6.972 1.00 0.00 H new ATOM 240 N ASP A 18 13.768 -4.096 12.099 1.00 0.00 N ATOM 241 CA ASP A 18 14.387 -5.238 12.751 1.00 0.00 C ATOM 242 C ASP A 18 15.678 -5.602 12.015 1.00 0.00 C ATOM 243 O ASP A 18 16.006 -5.000 10.994 1.00 0.00 O ATOM 244 CB ASP A 18 13.463 -6.458 12.717 1.00 0.00 C ATOM 245 CG ASP A 18 11.971 -6.136 12.622 1.00 0.00 C ATOM 246 OD1 ASP A 18 11.611 -4.996 12.986 1.00 0.00 O ATOM 247 OD2 ASP A 18 11.223 -7.038 12.187 1.00 0.00 O ATOM 0 H ASP A 18 13.553 -4.233 11.111 1.00 0.00 H new ATOM 0 HA ASP A 18 14.589 -4.967 13.787 1.00 0.00 H new ATOM 0 HB2 ASP A 18 13.740 -7.081 11.867 1.00 0.00 H new ATOM 0 HB3 ASP A 18 13.635 -7.050 13.616 1.00 0.00 H new ATOM 252 N GLU A 19 16.375 -6.587 12.562 1.00 0.00 N ATOM 253 CA GLU A 19 17.623 -7.038 11.971 1.00 0.00 C ATOM 254 C GLU A 19 17.439 -7.296 10.474 1.00 0.00 C ATOM 255 O GLU A 19 18.408 -7.297 9.717 1.00 0.00 O ATOM 256 CB GLU A 19 18.147 -8.288 12.682 1.00 0.00 C ATOM 257 CG GLU A 19 17.352 -9.528 12.268 1.00 0.00 C ATOM 258 CD GLU A 19 17.997 -10.802 12.818 1.00 0.00 C ATOM 259 OE1 GLU A 19 17.999 -10.946 14.059 1.00 0.00 O ATOM 260 OE2 GLU A 19 18.474 -11.602 11.984 1.00 0.00 O ATOM 0 H GLU A 19 16.099 -7.085 13.408 1.00 0.00 H new ATOM 0 HA GLU A 19 18.366 -6.251 12.096 1.00 0.00 H new ATOM 0 HB2 GLU A 19 19.201 -8.431 12.444 1.00 0.00 H new ATOM 0 HB3 GLU A 19 18.080 -8.152 13.761 1.00 0.00 H new ATOM 0 HG2 GLU A 19 16.329 -9.447 12.634 1.00 0.00 H new ATOM 0 HG3 GLU A 19 17.298 -9.584 11.181 1.00 0.00 H new ATOM 267 N ASP A 20 16.188 -7.509 10.093 1.00 0.00 N ATOM 268 CA ASP A 20 15.864 -7.767 8.700 1.00 0.00 C ATOM 269 C ASP A 20 15.246 -6.511 8.083 1.00 0.00 C ATOM 270 O ASP A 20 15.278 -6.332 6.867 1.00 0.00 O ATOM 271 CB ASP A 20 14.849 -8.905 8.573 1.00 0.00 C ATOM 272 CG ASP A 20 14.115 -8.969 7.232 1.00 0.00 C ATOM 273 OD1 ASP A 20 14.813 -9.148 6.211 1.00 0.00 O ATOM 274 OD2 ASP A 20 12.872 -8.839 7.258 1.00 0.00 O ATOM 0 H ASP A 20 15.387 -7.508 10.724 1.00 0.00 H new ATOM 0 HA ASP A 20 16.784 -8.045 8.186 1.00 0.00 H new ATOM 0 HB2 ASP A 20 15.365 -9.852 8.733 1.00 0.00 H new ATOM 0 HB3 ASP A 20 14.112 -8.805 9.369 1.00 0.00 H new ATOM 279 N GLY A 21 14.697 -5.673 8.950 1.00 0.00 N ATOM 280 CA GLY A 21 14.073 -4.438 8.506 1.00 0.00 C ATOM 281 C GLY A 21 12.616 -4.363 8.970 1.00 0.00 C ATOM 282 O GLY A 21 12.305 -4.710 10.108 1.00 0.00 O ATOM 0 H GLY A 21 14.671 -5.825 9.958 1.00 0.00 H new ATOM 0 HA2 GLY A 21 14.627 -3.585 8.897 1.00 0.00 H new ATOM 0 HA3 GLY A 21 14.116 -4.375 7.419 1.00 0.00 H new ATOM 286 N LEU A 22 11.764 -3.907 8.064 1.00 0.00 N ATOM 287 CA LEU A 22 10.348 -3.782 8.366 1.00 0.00 C ATOM 288 C LEU A 22 9.771 -5.166 8.668 1.00 0.00 C ATOM 289 O LEU A 22 9.121 -5.361 9.694 1.00 0.00 O ATOM 290 CB LEU A 22 9.623 -3.046 7.237 1.00 0.00 C ATOM 291 CG LEU A 22 10.178 -1.669 6.868 1.00 0.00 C ATOM 292 CD1 LEU A 22 9.539 -1.147 5.580 1.00 0.00 C ATOM 293 CD2 LEU A 22 10.018 -0.684 8.028 1.00 0.00 C ATOM 0 H LEU A 22 12.026 -3.620 7.121 1.00 0.00 H new ATOM 0 HA LEU A 22 10.201 -3.174 9.258 1.00 0.00 H new ATOM 0 HB2 LEU A 22 9.645 -3.675 6.347 1.00 0.00 H new ATOM 0 HB3 LEU A 22 8.577 -2.930 7.519 1.00 0.00 H new ATOM 0 HG LEU A 22 11.246 -1.771 6.678 1.00 0.00 H new ATOM 0 HD11 LEU A 22 9.951 -0.167 5.341 1.00 0.00 H new ATOM 0 HD12 LEU A 22 9.749 -1.838 4.764 1.00 0.00 H new ATOM 0 HD13 LEU A 22 8.461 -1.064 5.717 1.00 0.00 H new ATOM 0 HD21 LEU A 22 10.421 0.287 7.739 1.00 0.00 H new ATOM 0 HD22 LEU A 22 8.961 -0.580 8.274 1.00 0.00 H new ATOM 0 HD23 LEU A 22 10.558 -1.056 8.899 1.00 0.00 H new ATOM 305 N GLY A 23 10.028 -6.092 7.756 1.00 0.00 N ATOM 306 CA GLY A 23 9.543 -7.452 7.912 1.00 0.00 C ATOM 307 C GLY A 23 8.077 -7.563 7.488 1.00 0.00 C ATOM 308 O GLY A 23 7.235 -8.017 8.261 1.00 0.00 O ATOM 0 H GLY A 23 10.566 -5.927 6.906 1.00 0.00 H new ATOM 0 HA2 GLY A 23 10.151 -8.130 7.313 1.00 0.00 H new ATOM 0 HA3 GLY A 23 9.649 -7.763 8.951 1.00 0.00 H new ATOM 312 N ILE A 24 7.817 -7.141 6.259 1.00 0.00 N ATOM 313 CA ILE A 24 6.467 -7.187 5.722 1.00 0.00 C ATOM 314 C ILE A 24 6.533 -7.252 4.195 1.00 0.00 C ATOM 315 O ILE A 24 7.549 -6.900 3.598 1.00 0.00 O ATOM 316 CB ILE A 24 5.639 -6.016 6.253 1.00 0.00 C ATOM 317 CG1 ILE A 24 6.529 -4.809 6.557 1.00 0.00 C ATOM 318 CG2 ILE A 24 4.809 -6.437 7.467 1.00 0.00 C ATOM 319 CD1 ILE A 24 5.686 -3.587 6.930 1.00 0.00 C ATOM 0 H ILE A 24 8.518 -6.766 5.620 1.00 0.00 H new ATOM 0 HA ILE A 24 5.953 -8.088 6.058 1.00 0.00 H new ATOM 0 HB ILE A 24 4.939 -5.712 5.475 1.00 0.00 H new ATOM 0 HG12 ILE A 24 7.208 -5.050 7.375 1.00 0.00 H new ATOM 0 HG13 ILE A 24 7.145 -4.579 5.688 1.00 0.00 H new ATOM 0 HG21 ILE A 24 4.230 -5.586 7.825 1.00 0.00 H new ATOM 0 HG22 ILE A 24 4.132 -7.243 7.183 1.00 0.00 H new ATOM 0 HG23 ILE A 24 5.473 -6.783 8.259 1.00 0.00 H new ATOM 0 HD11 ILE A 24 6.342 -2.743 7.141 1.00 0.00 H new ATOM 0 HD12 ILE A 24 5.025 -3.334 6.101 1.00 0.00 H new ATOM 0 HD13 ILE A 24 5.089 -3.813 7.814 1.00 0.00 H new ATOM 331 N SER A 25 5.436 -7.705 3.606 1.00 0.00 N ATOM 332 CA SER A 25 5.356 -7.821 2.160 1.00 0.00 C ATOM 333 C SER A 25 4.278 -6.880 1.618 1.00 0.00 C ATOM 334 O SER A 25 3.249 -6.673 2.260 1.00 0.00 O ATOM 335 CB SER A 25 5.062 -9.262 1.738 1.00 0.00 C ATOM 336 OG SER A 25 5.912 -10.195 2.398 1.00 0.00 O ATOM 0 H SER A 25 4.595 -7.996 4.104 1.00 0.00 H new ATOM 0 HA SER A 25 6.322 -7.538 1.741 1.00 0.00 H new ATOM 0 HB2 SER A 25 4.022 -9.500 1.960 1.00 0.00 H new ATOM 0 HB3 SER A 25 5.188 -9.357 0.659 1.00 0.00 H new ATOM 0 HG SER A 25 5.927 -11.036 1.895 1.00 0.00 H new ATOM 342 N ILE A 26 4.551 -6.333 0.443 1.00 0.00 N ATOM 343 CA ILE A 26 3.618 -5.418 -0.192 1.00 0.00 C ATOM 344 C ILE A 26 3.252 -5.951 -1.579 1.00 0.00 C ATOM 345 O ILE A 26 3.944 -6.813 -2.119 1.00 0.00 O ATOM 346 CB ILE A 26 4.187 -3.998 -0.209 1.00 0.00 C ATOM 347 CG1 ILE A 26 5.530 -3.954 -0.941 1.00 0.00 C ATOM 348 CG2 ILE A 26 4.288 -3.431 1.208 1.00 0.00 C ATOM 349 CD1 ILE A 26 5.576 -2.791 -1.933 1.00 0.00 C ATOM 0 H ILE A 26 5.406 -6.506 -0.086 1.00 0.00 H new ATOM 0 HA ILE A 26 2.693 -5.358 0.381 1.00 0.00 H new ATOM 0 HB ILE A 26 3.498 -3.361 -0.763 1.00 0.00 H new ATOM 0 HG12 ILE A 26 6.339 -3.852 -0.218 1.00 0.00 H new ATOM 0 HG13 ILE A 26 5.691 -4.894 -1.469 1.00 0.00 H new ATOM 0 HG21 ILE A 26 4.695 -2.421 1.167 1.00 0.00 H new ATOM 0 HG22 ILE A 26 3.297 -3.405 1.661 1.00 0.00 H new ATOM 0 HG23 ILE A 26 4.944 -4.063 1.807 1.00 0.00 H new ATOM 0 HD11 ILE A 26 6.541 -2.783 -2.440 1.00 0.00 H new ATOM 0 HD12 ILE A 26 4.781 -2.909 -2.669 1.00 0.00 H new ATOM 0 HD13 ILE A 26 5.439 -1.851 -1.398 1.00 0.00 H new ATOM 361 N ILE A 27 2.166 -5.415 -2.116 1.00 0.00 N ATOM 362 CA ILE A 27 1.700 -5.826 -3.430 1.00 0.00 C ATOM 363 C ILE A 27 1.183 -4.602 -4.189 1.00 0.00 C ATOM 364 O ILE A 27 0.591 -3.703 -3.593 1.00 0.00 O ATOM 365 CB ILE A 27 0.672 -6.952 -3.306 1.00 0.00 C ATOM 366 CG1 ILE A 27 -0.034 -7.199 -4.641 1.00 0.00 C ATOM 367 CG2 ILE A 27 -0.320 -6.667 -2.177 1.00 0.00 C ATOM 368 CD1 ILE A 27 -0.762 -8.545 -4.635 1.00 0.00 C ATOM 0 H ILE A 27 1.595 -4.700 -1.665 1.00 0.00 H new ATOM 0 HA ILE A 27 2.522 -6.240 -4.014 1.00 0.00 H new ATOM 0 HB ILE A 27 1.200 -7.870 -3.046 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -0.746 -6.397 -4.834 1.00 0.00 H new ATOM 0 HG13 ILE A 27 0.695 -7.179 -5.451 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -1.040 -7.483 -2.110 1.00 0.00 H new ATOM 0 HG22 ILE A 27 0.218 -6.580 -1.233 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -0.846 -5.735 -2.382 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -1.255 -8.696 -5.595 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -0.043 -9.347 -4.466 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -1.507 -8.552 -3.839 1.00 0.00 H new ATOM 380 N GLY A 28 1.426 -4.606 -5.491 1.00 0.00 N ATOM 381 CA GLY A 28 0.992 -3.508 -6.337 1.00 0.00 C ATOM 382 C GLY A 28 -0.338 -3.834 -7.021 1.00 0.00 C ATOM 383 O GLY A 28 -0.403 -4.724 -7.867 1.00 0.00 O ATOM 0 H GLY A 28 1.918 -5.353 -5.981 1.00 0.00 H new ATOM 0 HA2 GLY A 28 0.885 -2.603 -5.738 1.00 0.00 H new ATOM 0 HA3 GLY A 28 1.752 -3.303 -7.091 1.00 0.00 H new ATOM 387 N MET A 29 -1.366 -3.096 -6.627 1.00 0.00 N ATOM 388 CA MET A 29 -2.690 -3.296 -7.191 1.00 0.00 C ATOM 389 C MET A 29 -3.318 -1.962 -7.601 1.00 0.00 C ATOM 390 O MET A 29 -3.178 -0.963 -6.897 1.00 0.00 O ATOM 391 CB MET A 29 -3.585 -3.987 -6.161 1.00 0.00 C ATOM 392 CG MET A 29 -3.242 -5.473 -6.046 1.00 0.00 C ATOM 393 SD MET A 29 -4.535 -6.457 -6.785 1.00 0.00 S ATOM 394 CE MET A 29 -5.110 -7.344 -5.346 1.00 0.00 C ATOM 0 H MET A 29 -1.308 -2.359 -5.924 1.00 0.00 H new ATOM 0 HA MET A 29 -2.596 -3.920 -8.080 1.00 0.00 H new ATOM 0 HB2 MET A 29 -3.466 -3.506 -5.190 1.00 0.00 H new ATOM 0 HB3 MET A 29 -4.630 -3.873 -6.447 1.00 0.00 H new ATOM 0 HG2 MET A 29 -2.292 -5.675 -6.541 1.00 0.00 H new ATOM 0 HG3 MET A 29 -3.120 -5.746 -4.998 1.00 0.00 H new ATOM 0 HE1 MET A 29 -5.925 -8.010 -5.631 1.00 0.00 H new ATOM 0 HE2 MET A 29 -4.291 -7.930 -4.929 1.00 0.00 H new ATOM 0 HE3 MET A 29 -5.466 -6.634 -4.599 1.00 0.00 H new ATOM 404 N GLY A 30 -3.997 -1.989 -8.738 1.00 0.00 N ATOM 405 CA GLY A 30 -4.647 -0.794 -9.250 1.00 0.00 C ATOM 406 C GLY A 30 -6.033 -0.615 -8.627 1.00 0.00 C ATOM 407 O GLY A 30 -6.946 -1.392 -8.900 1.00 0.00 O ATOM 0 H GLY A 30 -4.111 -2.819 -9.319 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -4.032 0.080 -9.035 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -4.737 -0.861 -10.334 1.00 0.00 H new ATOM 411 N VAL A 31 -6.146 0.415 -7.801 1.00 0.00 N ATOM 412 CA VAL A 31 -7.405 0.707 -7.137 1.00 0.00 C ATOM 413 C VAL A 31 -8.199 1.710 -7.976 1.00 0.00 C ATOM 414 O VAL A 31 -7.628 2.640 -8.542 1.00 0.00 O ATOM 415 CB VAL A 31 -7.144 1.195 -5.711 1.00 0.00 C ATOM 416 CG1 VAL A 31 -8.324 0.868 -4.794 1.00 0.00 C ATOM 417 CG2 VAL A 31 -5.843 0.607 -5.160 1.00 0.00 C ATOM 0 H VAL A 31 -5.386 1.058 -7.577 1.00 0.00 H new ATOM 0 HA VAL A 31 -8.010 -0.196 -7.052 1.00 0.00 H new ATOM 0 HB VAL A 31 -7.035 2.279 -5.743 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -8.112 1.226 -3.787 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -9.223 1.355 -5.170 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -8.479 -0.211 -4.771 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -5.681 0.970 -4.145 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -5.911 -0.481 -5.150 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -5.009 0.913 -5.792 1.00 0.00 H new ATOM 492 N GLU A 38 -6.828 5.922 -12.291 1.00 0.00 N ATOM 493 CA GLU A 38 -6.370 4.776 -11.525 1.00 0.00 C ATOM 494 C GLU A 38 -5.343 5.213 -10.478 1.00 0.00 C ATOM 495 O GLU A 38 -4.448 6.003 -10.773 1.00 0.00 O ATOM 496 CB GLU A 38 -5.790 3.699 -12.444 1.00 0.00 C ATOM 497 CG GLU A 38 -4.500 4.182 -13.110 1.00 0.00 C ATOM 498 CD GLU A 38 -3.990 3.157 -14.125 1.00 0.00 C ATOM 499 OE1 GLU A 38 -3.747 2.008 -13.698 1.00 0.00 O ATOM 500 OE2 GLU A 38 -3.853 3.546 -15.305 1.00 0.00 O ATOM 0 HA GLU A 38 -7.227 4.344 -11.008 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -5.590 2.795 -11.869 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -6.521 3.436 -13.208 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -4.679 5.135 -13.608 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -3.738 4.357 -12.351 1.00 0.00 H new ATOM 507 N LYS A 39 -5.508 4.680 -9.276 1.00 0.00 N ATOM 508 CA LYS A 39 -4.607 5.006 -8.183 1.00 0.00 C ATOM 509 C LYS A 39 -4.060 3.712 -7.577 1.00 0.00 C ATOM 510 O LYS A 39 -4.714 3.089 -6.741 1.00 0.00 O ATOM 511 CB LYS A 39 -5.302 5.915 -7.169 1.00 0.00 C ATOM 512 CG LYS A 39 -5.277 7.373 -7.631 1.00 0.00 C ATOM 513 CD LYS A 39 -4.557 8.259 -6.613 1.00 0.00 C ATOM 514 CE LYS A 39 -5.221 9.634 -6.516 1.00 0.00 C ATOM 515 NZ LYS A 39 -6.388 9.584 -5.607 1.00 0.00 N ATOM 0 H LYS A 39 -6.252 4.025 -9.035 1.00 0.00 H new ATOM 0 HA LYS A 39 -3.752 5.573 -8.550 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -6.334 5.591 -7.032 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -4.810 5.828 -6.200 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -4.777 7.443 -8.597 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -6.297 7.731 -7.773 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -4.566 7.777 -5.635 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -3.512 8.375 -6.901 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -4.501 10.367 -6.153 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -5.538 9.962 -7.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -6.827 10.525 -5.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -7.082 8.899 -5.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -6.077 9.292 -4.659 1.00 0.00 H new ATOM 529 N LEU A 40 -2.867 3.346 -8.021 1.00 0.00 N ATOM 530 CA LEU A 40 -2.225 2.137 -7.532 1.00 0.00 C ATOM 531 C LEU A 40 -2.281 2.118 -6.003 1.00 0.00 C ATOM 532 O LEU A 40 -1.949 3.109 -5.354 1.00 0.00 O ATOM 533 CB LEU A 40 -0.809 2.017 -8.097 1.00 0.00 C ATOM 534 CG LEU A 40 -0.380 0.617 -8.541 1.00 0.00 C ATOM 535 CD1 LEU A 40 -0.154 -0.296 -7.334 1.00 0.00 C ATOM 536 CD2 LEU A 40 -1.387 0.022 -9.528 1.00 0.00 C ATOM 0 H LEU A 40 -2.328 3.865 -8.714 1.00 0.00 H new ATOM 0 HA LEU A 40 -2.759 1.253 -7.882 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -0.721 2.690 -8.950 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -0.107 2.368 -7.341 1.00 0.00 H new ATOM 0 HG LEU A 40 0.573 0.702 -9.064 1.00 0.00 H new ATOM 0 HD11 LEU A 40 0.150 -1.285 -7.678 1.00 0.00 H new ATOM 0 HD12 LEU A 40 0.627 0.124 -6.701 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -1.078 -0.379 -6.762 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -1.058 -0.973 -9.828 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -2.365 -0.047 -9.052 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -1.456 0.662 -10.408 1.00 0.00 H new ATOM 548 N GLY A 41 -2.703 0.980 -5.472 1.00 0.00 N ATOM 549 CA GLY A 41 -2.806 0.819 -4.032 1.00 0.00 C ATOM 550 C GLY A 41 -1.810 -0.225 -3.524 1.00 0.00 C ATOM 551 O GLY A 41 -1.857 -1.384 -3.934 1.00 0.00 O ATOM 0 H GLY A 41 -2.978 0.160 -6.013 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -2.619 1.774 -3.541 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -3.820 0.518 -3.768 1.00 0.00 H new ATOM 555 N ILE A 42 -0.932 0.222 -2.639 1.00 0.00 N ATOM 556 CA ILE A 42 0.074 -0.660 -2.070 1.00 0.00 C ATOM 557 C ILE A 42 -0.530 -1.420 -0.888 1.00 0.00 C ATOM 558 O ILE A 42 -0.713 -0.856 0.189 1.00 0.00 O ATOM 559 CB ILE A 42 1.337 0.127 -1.715 1.00 0.00 C ATOM 560 CG1 ILE A 42 1.724 1.083 -2.845 1.00 0.00 C ATOM 561 CG2 ILE A 42 2.484 -0.815 -1.344 1.00 0.00 C ATOM 562 CD1 ILE A 42 2.018 0.316 -4.136 1.00 0.00 C ATOM 0 H ILE A 42 -0.896 1.184 -2.301 1.00 0.00 H new ATOM 0 HA ILE A 42 0.386 -1.405 -2.802 1.00 0.00 H new ATOM 0 HB ILE A 42 1.123 0.736 -0.837 1.00 0.00 H new ATOM 0 HG12 ILE A 42 0.916 1.795 -3.017 1.00 0.00 H new ATOM 0 HG13 ILE A 42 2.601 1.660 -2.553 1.00 0.00 H new ATOM 0 HG21 ILE A 42 3.370 -0.230 -1.096 1.00 0.00 H new ATOM 0 HG22 ILE A 42 2.195 -1.419 -0.484 1.00 0.00 H new ATOM 0 HG23 ILE A 42 2.705 -1.469 -2.188 1.00 0.00 H new ATOM 0 HD11 ILE A 42 2.290 1.019 -4.923 1.00 0.00 H new ATOM 0 HD12 ILE A 42 2.842 -0.377 -3.968 1.00 0.00 H new ATOM 0 HD13 ILE A 42 1.131 -0.241 -4.438 1.00 0.00 H new ATOM 574 N PHE A 43 -0.823 -2.689 -1.130 1.00 0.00 N ATOM 575 CA PHE A 43 -1.403 -3.533 -0.098 1.00 0.00 C ATOM 576 C PHE A 43 -0.353 -4.476 0.493 1.00 0.00 C ATOM 577 O PHE A 43 0.708 -4.678 -0.097 1.00 0.00 O ATOM 578 CB PHE A 43 -2.500 -4.365 -0.765 1.00 0.00 C ATOM 579 CG PHE A 43 -3.621 -3.531 -1.389 1.00 0.00 C ATOM 580 CD1 PHE A 43 -4.663 -3.110 -0.623 1.00 0.00 C ATOM 581 CD2 PHE A 43 -3.575 -3.210 -2.710 1.00 0.00 C ATOM 582 CE1 PHE A 43 -5.703 -2.336 -1.202 1.00 0.00 C ATOM 583 CE2 PHE A 43 -4.616 -2.436 -3.289 1.00 0.00 C ATOM 584 CZ PHE A 43 -5.657 -2.016 -2.523 1.00 0.00 C ATOM 0 H PHE A 43 -0.670 -3.154 -2.025 1.00 0.00 H new ATOM 0 HA PHE A 43 -1.795 -2.916 0.711 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -2.050 -4.987 -1.539 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -2.931 -5.039 -0.025 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -4.699 -3.365 0.426 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -2.747 -3.543 -3.318 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -6.530 -2.002 -0.594 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -4.580 -2.181 -4.338 1.00 0.00 H new ATOM 0 HZ PHE A 43 -6.448 -1.428 -2.964 1.00 0.00 H new ATOM 594 N VAL A 44 -0.684 -5.027 1.651 1.00 0.00 N ATOM 595 CA VAL A 44 0.217 -5.944 2.329 1.00 0.00 C ATOM 596 C VAL A 44 -0.092 -7.376 1.887 1.00 0.00 C ATOM 597 O VAL A 44 -1.100 -7.952 2.295 1.00 0.00 O ATOM 598 CB VAL A 44 0.118 -5.751 3.843 1.00 0.00 C ATOM 599 CG1 VAL A 44 0.751 -6.928 4.588 1.00 0.00 C ATOM 600 CG2 VAL A 44 0.753 -4.426 4.270 1.00 0.00 C ATOM 0 H VAL A 44 -1.564 -4.856 2.138 1.00 0.00 H new ATOM 0 HA VAL A 44 1.251 -5.736 2.055 1.00 0.00 H new ATOM 0 HB VAL A 44 -0.939 -5.716 4.108 1.00 0.00 H new ATOM 0 HG11 VAL A 44 0.667 -6.766 5.663 1.00 0.00 H new ATOM 0 HG12 VAL A 44 0.234 -7.849 4.319 1.00 0.00 H new ATOM 0 HG13 VAL A 44 1.803 -7.009 4.314 1.00 0.00 H new ATOM 0 HG21 VAL A 44 0.669 -4.314 5.351 1.00 0.00 H new ATOM 0 HG22 VAL A 44 1.805 -4.418 3.985 1.00 0.00 H new ATOM 0 HG23 VAL A 44 0.238 -3.601 3.778 1.00 0.00 H new ATOM 610 N LYS A 45 0.793 -7.910 1.059 1.00 0.00 N ATOM 611 CA LYS A 45 0.628 -9.264 0.557 1.00 0.00 C ATOM 612 C LYS A 45 0.645 -10.244 1.732 1.00 0.00 C ATOM 613 O LYS A 45 -0.141 -11.189 1.768 1.00 0.00 O ATOM 614 CB LYS A 45 1.676 -9.570 -0.515 1.00 0.00 C ATOM 615 CG LYS A 45 1.590 -11.030 -0.964 1.00 0.00 C ATOM 616 CD LYS A 45 0.295 -11.292 -1.735 1.00 0.00 C ATOM 617 CE LYS A 45 0.370 -12.615 -2.500 1.00 0.00 C ATOM 618 NZ LYS A 45 -0.989 -13.117 -2.801 1.00 0.00 N ATOM 0 H LYS A 45 1.627 -7.429 0.723 1.00 0.00 H new ATOM 0 HA LYS A 45 -0.338 -9.373 0.064 1.00 0.00 H new ATOM 0 HB2 LYS A 45 1.528 -8.913 -1.372 1.00 0.00 H new ATOM 0 HB3 LYS A 45 2.672 -9.364 -0.124 1.00 0.00 H new ATOM 0 HG2 LYS A 45 2.447 -11.272 -1.593 1.00 0.00 H new ATOM 0 HG3 LYS A 45 1.638 -11.685 -0.094 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -0.546 -11.316 -1.042 1.00 0.00 H new ATOM 0 HD3 LYS A 45 0.111 -10.475 -2.432 1.00 0.00 H new ATOM 0 HE2 LYS A 45 0.926 -12.475 -3.427 1.00 0.00 H new ATOM 0 HE3 LYS A 45 0.914 -13.353 -1.910 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -0.920 -14.015 -3.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -1.507 -13.270 -1.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -1.496 -12.419 -3.382 1.00 0.00 H new ATOM 632 N THR A 46 1.551 -9.985 2.664 1.00 0.00 N ATOM 633 CA THR A 46 1.681 -10.832 3.837 1.00 0.00 C ATOM 634 C THR A 46 2.625 -10.191 4.856 1.00 0.00 C ATOM 635 O THR A 46 3.289 -9.200 4.555 1.00 0.00 O ATOM 636 CB THR A 46 2.139 -12.216 3.372 1.00 0.00 C ATOM 637 OG1 THR A 46 2.354 -12.936 4.583 1.00 0.00 O ATOM 638 CG2 THR A 46 3.517 -12.184 2.707 1.00 0.00 C ATOM 0 H THR A 46 2.202 -9.200 2.630 1.00 0.00 H new ATOM 0 HA THR A 46 0.726 -10.945 4.351 1.00 0.00 H new ATOM 0 HB THR A 46 1.409 -12.624 2.673 1.00 0.00 H new ATOM 0 HG1 THR A 46 2.652 -13.846 4.374 1.00 0.00 H new ATOM 0 HG21 THR A 46 3.794 -13.191 2.396 1.00 0.00 H new ATOM 0 HG22 THR A 46 3.485 -11.531 1.835 1.00 0.00 H new ATOM 0 HG23 THR A 46 4.254 -11.807 3.416 1.00 0.00 H new ATOM 646 N VAL A 47 2.654 -10.782 6.042 1.00 0.00 N ATOM 647 CA VAL A 47 3.505 -10.280 7.107 1.00 0.00 C ATOM 648 C VAL A 47 4.452 -11.392 7.563 1.00 0.00 C ATOM 649 O VAL A 47 4.007 -12.455 7.992 1.00 0.00 O ATOM 650 CB VAL A 47 2.646 -9.723 8.244 1.00 0.00 C ATOM 651 CG1 VAL A 47 3.513 -9.325 9.441 1.00 0.00 C ATOM 652 CG2 VAL A 47 1.799 -8.544 7.764 1.00 0.00 C ATOM 0 H VAL A 47 2.102 -11.603 6.288 1.00 0.00 H new ATOM 0 HA VAL A 47 4.120 -9.455 6.748 1.00 0.00 H new ATOM 0 HB VAL A 47 1.967 -10.512 8.569 1.00 0.00 H new ATOM 0 HG11 VAL A 47 2.878 -8.932 10.235 1.00 0.00 H new ATOM 0 HG12 VAL A 47 4.052 -10.199 9.806 1.00 0.00 H new ATOM 0 HG13 VAL A 47 4.227 -8.560 9.135 1.00 0.00 H new ATOM 0 HG21 VAL A 47 1.198 -8.167 8.592 1.00 0.00 H new ATOM 0 HG22 VAL A 47 2.452 -7.751 7.399 1.00 0.00 H new ATOM 0 HG23 VAL A 47 1.142 -8.872 6.958 1.00 0.00 H new ATOM 662 N THR A 48 5.742 -11.108 7.454 1.00 0.00 N ATOM 663 CA THR A 48 6.756 -12.071 7.849 1.00 0.00 C ATOM 664 C THR A 48 6.469 -12.600 9.256 1.00 0.00 C ATOM 665 O THR A 48 6.031 -11.850 10.128 1.00 0.00 O ATOM 666 CB THR A 48 8.123 -11.396 7.720 1.00 0.00 C ATOM 667 OG1 THR A 48 8.579 -11.780 6.426 1.00 0.00 O ATOM 668 CG2 THR A 48 9.162 -11.992 8.673 1.00 0.00 C ATOM 0 H THR A 48 6.108 -10.225 7.098 1.00 0.00 H new ATOM 0 HA THR A 48 6.747 -12.946 7.199 1.00 0.00 H new ATOM 0 HB THR A 48 8.021 -10.329 7.915 1.00 0.00 H new ATOM 0 HG1 THR A 48 9.460 -11.384 6.259 1.00 0.00 H new ATOM 0 HG21 THR A 48 10.114 -11.478 8.541 1.00 0.00 H new ATOM 0 HG22 THR A 48 8.824 -11.871 9.702 1.00 0.00 H new ATOM 0 HG23 THR A 48 9.289 -13.052 8.455 1.00 0.00 H new ATOM 676 N GLU A 49 6.729 -13.887 9.434 1.00 0.00 N ATOM 677 CA GLU A 49 6.504 -14.525 10.719 1.00 0.00 C ATOM 678 C GLU A 49 7.594 -14.116 11.712 1.00 0.00 C ATOM 679 O GLU A 49 8.766 -14.436 11.519 1.00 0.00 O ATOM 680 CB GLU A 49 6.438 -16.046 10.573 1.00 0.00 C ATOM 681 CG GLU A 49 5.729 -16.683 11.770 1.00 0.00 C ATOM 682 CD GLU A 49 5.441 -18.163 11.513 1.00 0.00 C ATOM 683 OE1 GLU A 49 5.163 -18.492 10.340 1.00 0.00 O ATOM 684 OE2 GLU A 49 5.504 -18.933 12.496 1.00 0.00 O ATOM 0 H GLU A 49 7.094 -14.505 8.709 1.00 0.00 H new ATOM 0 HA GLU A 49 5.542 -14.189 11.106 1.00 0.00 H new ATOM 0 HB2 GLU A 49 5.911 -16.304 9.654 1.00 0.00 H new ATOM 0 HB3 GLU A 49 7.446 -16.450 10.486 1.00 0.00 H new ATOM 0 HG2 GLU A 49 6.348 -16.579 12.661 1.00 0.00 H new ATOM 0 HG3 GLU A 49 4.795 -16.156 11.967 1.00 0.00 H new ATOM 691 N GLY A 50 7.169 -13.416 12.754 1.00 0.00 N ATOM 692 CA GLY A 50 8.094 -12.961 13.777 1.00 0.00 C ATOM 693 C GLY A 50 8.854 -11.716 13.315 1.00 0.00 C ATOM 694 O GLY A 50 9.990 -11.488 13.730 1.00 0.00 O ATOM 0 H GLY A 50 6.196 -13.153 12.911 1.00 0.00 H new ATOM 0 HA2 GLY A 50 7.547 -12.738 14.693 1.00 0.00 H new ATOM 0 HA3 GLY A 50 8.801 -13.756 14.013 1.00 0.00 H new ATOM 698 N GLY A 51 8.198 -10.944 12.462 1.00 0.00 N ATOM 699 CA GLY A 51 8.797 -9.729 11.938 1.00 0.00 C ATOM 700 C GLY A 51 8.470 -8.528 12.829 1.00 0.00 C ATOM 701 O GLY A 51 8.193 -8.689 14.017 1.00 0.00 O ATOM 0 H GLY A 51 7.256 -11.137 12.120 1.00 0.00 H new ATOM 0 HA2 GLY A 51 9.878 -9.852 11.870 1.00 0.00 H new ATOM 0 HA3 GLY A 51 8.433 -9.546 10.927 1.00 0.00 H new ATOM 705 N ALA A 52 8.512 -7.352 12.221 1.00 0.00 N ATOM 706 CA ALA A 52 8.224 -6.125 12.944 1.00 0.00 C ATOM 707 C ALA A 52 6.714 -5.874 12.932 1.00 0.00 C ATOM 708 O ALA A 52 6.078 -5.842 13.984 1.00 0.00 O ATOM 709 CB ALA A 52 9.012 -4.970 12.324 1.00 0.00 C ATOM 0 H ALA A 52 8.741 -7.223 11.236 1.00 0.00 H new ATOM 0 HA ALA A 52 8.536 -6.210 13.985 1.00 0.00 H new ATOM 0 HB1 ALA A 52 8.796 -4.050 12.866 1.00 0.00 H new ATOM 0 HB2 ALA A 52 10.079 -5.184 12.384 1.00 0.00 H new ATOM 0 HB3 ALA A 52 8.723 -4.852 11.280 1.00 0.00 H new ATOM 715 N ALA A 53 6.185 -5.702 11.729 1.00 0.00 N ATOM 716 CA ALA A 53 4.763 -5.454 11.566 1.00 0.00 C ATOM 717 C ALA A 53 3.975 -6.633 12.143 1.00 0.00 C ATOM 718 O ALA A 53 2.820 -6.479 12.537 1.00 0.00 O ATOM 719 CB ALA A 53 4.452 -5.213 10.088 1.00 0.00 C ATOM 0 H ALA A 53 6.716 -5.730 10.858 1.00 0.00 H new ATOM 0 HA ALA A 53 4.465 -4.559 12.112 1.00 0.00 H new ATOM 0 HB1 ALA A 53 3.385 -5.027 9.966 1.00 0.00 H new ATOM 0 HB2 ALA A 53 5.014 -4.348 9.734 1.00 0.00 H new ATOM 0 HB3 ALA A 53 4.735 -6.092 9.509 1.00 0.00 H new ATOM 725 N GLN A 54 4.631 -7.784 12.172 1.00 0.00 N ATOM 726 CA GLN A 54 4.007 -8.988 12.693 1.00 0.00 C ATOM 727 C GLN A 54 3.822 -8.877 14.208 1.00 0.00 C ATOM 728 O GLN A 54 2.697 -8.924 14.705 1.00 0.00 O ATOM 729 CB GLN A 54 4.823 -10.230 12.330 1.00 0.00 C ATOM 730 CG GLN A 54 3.963 -11.493 12.406 1.00 0.00 C ATOM 731 CD GLN A 54 4.199 -12.239 13.720 1.00 0.00 C ATOM 732 OE1 GLN A 54 4.762 -11.717 14.668 1.00 0.00 O ATOM 733 NE2 GLN A 54 3.739 -13.487 13.724 1.00 0.00 N ATOM 0 H GLN A 54 5.588 -7.908 11.843 1.00 0.00 H new ATOM 0 HA GLN A 54 3.024 -9.092 12.233 1.00 0.00 H new ATOM 0 HB2 GLN A 54 5.228 -10.122 11.324 1.00 0.00 H new ATOM 0 HB3 GLN A 54 5.672 -10.323 13.007 1.00 0.00 H new ATOM 0 HG2 GLN A 54 2.910 -11.226 12.320 1.00 0.00 H new ATOM 0 HG3 GLN A 54 4.196 -12.147 11.566 1.00 0.00 H new ATOM 0 HE21 GLN A 54 3.277 -13.863 12.896 1.00 0.00 H new ATOM 0 HE22 GLN A 54 3.848 -14.068 14.555 1.00 0.00 H new ATOM 742 N ARG A 55 4.942 -8.731 14.900 1.00 0.00 N ATOM 743 CA ARG A 55 4.918 -8.613 16.348 1.00 0.00 C ATOM 744 C ARG A 55 3.886 -7.567 16.778 1.00 0.00 C ATOM 745 O ARG A 55 3.046 -7.835 17.635 1.00 0.00 O ATOM 746 CB ARG A 55 6.292 -8.217 16.892 1.00 0.00 C ATOM 747 CG ARG A 55 7.256 -9.405 16.864 1.00 0.00 C ATOM 748 CD ARG A 55 8.570 -9.061 17.568 1.00 0.00 C ATOM 749 NE ARG A 55 9.382 -8.165 16.715 1.00 0.00 N ATOM 750 CZ ARG A 55 10.397 -7.415 17.166 1.00 0.00 C ATOM 751 NH1 ARG A 55 10.730 -7.449 18.463 1.00 0.00 N ATOM 752 NH2 ARG A 55 11.078 -6.631 16.320 1.00 0.00 N ATOM 0 H ARG A 55 5.873 -8.692 14.485 1.00 0.00 H new ATOM 0 HA ARG A 55 4.646 -9.587 16.755 1.00 0.00 H new ATOM 0 HB2 ARG A 55 6.700 -7.399 16.298 1.00 0.00 H new ATOM 0 HB3 ARG A 55 6.191 -7.850 17.913 1.00 0.00 H new ATOM 0 HG2 ARG A 55 6.794 -10.265 17.349 1.00 0.00 H new ATOM 0 HG3 ARG A 55 7.456 -9.691 15.831 1.00 0.00 H new ATOM 0 HD2 ARG A 55 8.365 -8.579 18.524 1.00 0.00 H new ATOM 0 HD3 ARG A 55 9.126 -9.973 17.784 1.00 0.00 H new ATOM 0 HE ARG A 55 9.155 -8.115 15.722 1.00 0.00 H new ATOM 0 HH11 ARG A 55 10.211 -8.046 19.107 1.00 0.00 H new ATOM 0 HH12 ARG A 55 11.502 -6.878 18.806 1.00 0.00 H new ATOM 0 HH21 ARG A 55 10.824 -6.605 15.332 1.00 0.00 H new ATOM 0 HH22 ARG A 55 11.850 -6.060 16.663 1.00 0.00 H new ATOM 766 N ASP A 56 3.984 -6.398 16.162 1.00 0.00 N ATOM 767 CA ASP A 56 3.070 -5.311 16.471 1.00 0.00 C ATOM 768 C ASP A 56 1.632 -5.829 16.416 1.00 0.00 C ATOM 769 O ASP A 56 0.890 -5.717 17.391 1.00 0.00 O ATOM 770 CB ASP A 56 3.203 -4.175 15.454 1.00 0.00 C ATOM 771 CG ASP A 56 2.636 -2.830 15.911 1.00 0.00 C ATOM 772 OD1 ASP A 56 1.786 -2.853 16.827 1.00 0.00 O ATOM 773 OD2 ASP A 56 3.066 -1.807 15.334 1.00 0.00 O ATOM 0 H ASP A 56 4.682 -6.180 15.451 1.00 0.00 H new ATOM 0 HA ASP A 56 3.314 -4.936 17.465 1.00 0.00 H new ATOM 0 HB2 ASP A 56 4.258 -4.045 15.213 1.00 0.00 H new ATOM 0 HB3 ASP A 56 2.700 -4.471 14.533 1.00 0.00 H new ATOM 778 N GLY A 57 1.281 -6.386 15.266 1.00 0.00 N ATOM 779 CA GLY A 57 -0.056 -6.921 15.071 1.00 0.00 C ATOM 780 C GLY A 57 -0.951 -5.912 14.350 1.00 0.00 C ATOM 781 O GLY A 57 -1.948 -6.289 13.736 1.00 0.00 O ATOM 0 H GLY A 57 1.899 -6.478 14.460 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -0.002 -7.843 14.492 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -0.494 -7.176 16.036 1.00 0.00 H new ATOM 785 N ARG A 58 -0.563 -4.649 14.447 1.00 0.00 N ATOM 786 CA ARG A 58 -1.319 -3.583 13.811 1.00 0.00 C ATOM 787 C ARG A 58 -1.387 -3.810 12.300 1.00 0.00 C ATOM 788 O ARG A 58 -2.464 -4.035 11.750 1.00 0.00 O ATOM 789 CB ARG A 58 -0.684 -2.218 14.087 1.00 0.00 C ATOM 790 CG ARG A 58 -1.214 -1.622 15.393 1.00 0.00 C ATOM 791 CD ARG A 58 -2.736 -1.752 15.478 1.00 0.00 C ATOM 792 NE ARG A 58 -3.329 -1.642 14.126 1.00 0.00 N ATOM 793 CZ ARG A 58 -4.557 -2.073 13.808 1.00 0.00 C ATOM 794 NH1 ARG A 58 -5.330 -2.645 14.742 1.00 0.00 N ATOM 795 NH2 ARG A 58 -5.013 -1.931 12.556 1.00 0.00 N ATOM 0 H ARG A 58 0.265 -4.340 14.956 1.00 0.00 H new ATOM 0 HA ARG A 58 -2.326 -3.594 14.229 1.00 0.00 H new ATOM 0 HB2 ARG A 58 0.400 -2.322 14.143 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -0.897 -1.540 13.261 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -0.754 -2.129 16.241 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -0.931 -0.571 15.458 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -3.003 -2.710 15.925 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -3.140 -0.974 16.126 1.00 0.00 H new ATOM 0 HE ARG A 58 -2.768 -1.211 13.391 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -4.983 -2.752 15.695 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -6.265 -2.973 14.499 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -4.425 -1.495 11.846 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -5.948 -2.259 12.313 1.00 0.00 H new ATOM 809 N ILE A 59 -0.223 -3.742 11.670 1.00 0.00 N ATOM 810 CA ILE A 59 -0.138 -3.937 10.233 1.00 0.00 C ATOM 811 C ILE A 59 -0.454 -5.397 9.901 1.00 0.00 C ATOM 812 O ILE A 59 0.397 -6.271 10.058 1.00 0.00 O ATOM 813 CB ILE A 59 1.221 -3.467 9.708 1.00 0.00 C ATOM 814 CG1 ILE A 59 1.316 -1.940 9.722 1.00 0.00 C ATOM 815 CG2 ILE A 59 1.503 -4.047 8.321 1.00 0.00 C ATOM 816 CD1 ILE A 59 2.774 -1.482 9.795 1.00 0.00 C ATOM 0 H ILE A 59 0.669 -3.555 12.129 1.00 0.00 H new ATOM 0 HA ILE A 59 -0.881 -3.325 9.721 1.00 0.00 H new ATOM 0 HB ILE A 59 1.995 -3.843 10.377 1.00 0.00 H new ATOM 0 HG12 ILE A 59 0.848 -1.535 8.825 1.00 0.00 H new ATOM 0 HG13 ILE A 59 0.764 -1.546 10.575 1.00 0.00 H new ATOM 0 HG21 ILE A 59 2.474 -3.698 7.971 1.00 0.00 H new ATOM 0 HG22 ILE A 59 1.507 -5.136 8.376 1.00 0.00 H new ATOM 0 HG23 ILE A 59 0.729 -3.722 7.626 1.00 0.00 H new ATOM 0 HD11 ILE A 59 2.813 -0.393 9.804 1.00 0.00 H new ATOM 0 HD12 ILE A 59 3.232 -1.869 10.705 1.00 0.00 H new ATOM 0 HD13 ILE A 59 3.317 -1.858 8.928 1.00 0.00 H new ATOM 828 N GLN A 60 -1.679 -5.615 9.447 1.00 0.00 N ATOM 829 CA GLN A 60 -2.118 -6.954 9.092 1.00 0.00 C ATOM 830 C GLN A 60 -2.010 -7.164 7.580 1.00 0.00 C ATOM 831 O GLN A 60 -1.738 -6.223 6.837 1.00 0.00 O ATOM 832 CB GLN A 60 -3.545 -7.211 9.580 1.00 0.00 C ATOM 833 CG GLN A 60 -3.862 -6.367 10.816 1.00 0.00 C ATOM 834 CD GLN A 60 -4.794 -7.118 11.769 1.00 0.00 C ATOM 835 OE1 GLN A 60 -5.417 -8.107 11.418 1.00 0.00 O ATOM 836 NE2 GLN A 60 -4.854 -6.596 12.991 1.00 0.00 N ATOM 0 H GLN A 60 -2.382 -4.887 9.317 1.00 0.00 H new ATOM 0 HA GLN A 60 -1.465 -7.673 9.587 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -4.253 -6.978 8.785 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -3.668 -8.268 9.816 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -2.937 -6.111 11.333 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -4.327 -5.429 10.511 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -4.306 -5.766 13.219 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -5.448 -7.026 13.700 1.00 0.00 H new ATOM 845 N VAL A 61 -2.227 -8.405 7.170 1.00 0.00 N ATOM 846 CA VAL A 61 -2.157 -8.751 5.761 1.00 0.00 C ATOM 847 C VAL A 61 -3.337 -8.114 5.025 1.00 0.00 C ATOM 848 O VAL A 61 -4.411 -7.939 5.599 1.00 0.00 O ATOM 849 CB VAL A 61 -2.101 -10.271 5.597 1.00 0.00 C ATOM 850 CG1 VAL A 61 -2.275 -10.672 4.131 1.00 0.00 C ATOM 851 CG2 VAL A 61 -0.800 -10.837 6.169 1.00 0.00 C ATOM 0 H VAL A 61 -2.452 -9.184 7.790 1.00 0.00 H new ATOM 0 HA VAL A 61 -1.244 -8.356 5.316 1.00 0.00 H new ATOM 0 HB VAL A 61 -2.929 -10.699 6.162 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -2.231 -11.758 4.043 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -3.240 -10.317 3.769 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -1.478 -10.227 3.535 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -0.786 -11.919 6.039 1.00 0.00 H new ATOM 0 HG22 VAL A 61 0.049 -10.398 5.645 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -0.735 -10.598 7.230 1.00 0.00 H new ATOM 861 N ASN A 62 -3.098 -7.783 3.764 1.00 0.00 N ATOM 862 CA ASN A 62 -4.127 -7.168 2.943 1.00 0.00 C ATOM 863 C ASN A 62 -4.267 -5.694 3.327 1.00 0.00 C ATOM 864 O ASN A 62 -5.097 -4.979 2.768 1.00 0.00 O ATOM 865 CB ASN A 62 -5.482 -7.844 3.162 1.00 0.00 C ATOM 866 CG ASN A 62 -5.336 -9.367 3.199 1.00 0.00 C ATOM 867 OD1 ASN A 62 -5.162 -10.024 2.186 1.00 0.00 O ATOM 868 ND2 ASN A 62 -5.415 -9.888 4.420 1.00 0.00 N ATOM 0 H ASN A 62 -2.206 -7.929 3.291 1.00 0.00 H new ATOM 0 HA ASN A 62 -3.834 -7.275 1.899 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -5.920 -7.494 4.097 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -6.167 -7.560 2.363 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -5.329 -10.896 4.551 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -5.562 -9.280 5.226 1.00 0.00 H new ATOM 875 N ASP A 63 -3.442 -5.282 4.279 1.00 0.00 N ATOM 876 CA ASP A 63 -3.463 -3.906 4.744 1.00 0.00 C ATOM 877 C ASP A 63 -3.012 -2.982 3.610 1.00 0.00 C ATOM 878 O ASP A 63 -2.203 -3.373 2.771 1.00 0.00 O ATOM 879 CB ASP A 63 -2.508 -3.708 5.922 1.00 0.00 C ATOM 880 CG ASP A 63 -3.092 -4.056 7.293 1.00 0.00 C ATOM 881 OD1 ASP A 63 -4.103 -4.790 7.310 1.00 0.00 O ATOM 882 OD2 ASP A 63 -2.513 -3.579 8.294 1.00 0.00 O ATOM 0 H ASP A 63 -2.755 -5.878 4.741 1.00 0.00 H new ATOM 0 HA ASP A 63 -4.480 -3.673 5.061 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -1.620 -4.318 5.757 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -2.183 -2.668 5.936 1.00 0.00 H new ATOM 887 N GLN A 64 -3.557 -1.774 3.623 1.00 0.00 N ATOM 888 CA GLN A 64 -3.221 -0.792 2.606 1.00 0.00 C ATOM 889 C GLN A 64 -2.404 0.348 3.219 1.00 0.00 C ATOM 890 O GLN A 64 -2.914 1.111 4.038 1.00 0.00 O ATOM 891 CB GLN A 64 -4.482 -0.257 1.923 1.00 0.00 C ATOM 892 CG GLN A 64 -4.124 0.676 0.764 1.00 0.00 C ATOM 893 CD GLN A 64 -5.351 1.458 0.291 1.00 0.00 C ATOM 894 OE1 GLN A 64 -6.480 1.165 0.646 1.00 0.00 O ATOM 895 NE2 GLN A 64 -5.066 2.466 -0.529 1.00 0.00 N ATOM 0 H GLN A 64 -4.228 -1.453 4.321 1.00 0.00 H new ATOM 0 HA GLN A 64 -2.613 -1.280 1.844 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -5.080 -1.089 1.553 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -5.094 0.278 2.649 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -3.345 1.370 1.079 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -3.718 0.095 -0.064 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -4.097 2.656 -0.786 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -5.816 3.049 -0.901 1.00 0.00 H new ATOM 904 N ILE A 65 -1.151 0.427 2.797 1.00 0.00 N ATOM 905 CA ILE A 65 -0.258 1.461 3.294 1.00 0.00 C ATOM 906 C ILE A 65 -0.527 2.765 2.541 1.00 0.00 C ATOM 907 O ILE A 65 0.053 3.006 1.483 1.00 0.00 O ATOM 908 CB ILE A 65 1.197 0.995 3.217 1.00 0.00 C ATOM 909 CG1 ILE A 65 1.398 -0.306 3.998 1.00 0.00 C ATOM 910 CG2 ILE A 65 2.151 2.096 3.684 1.00 0.00 C ATOM 911 CD1 ILE A 65 2.421 -1.209 3.305 1.00 0.00 C ATOM 0 H ILE A 65 -0.733 -0.208 2.117 1.00 0.00 H new ATOM 0 HA ILE A 65 -0.450 1.656 4.349 1.00 0.00 H new ATOM 0 HB ILE A 65 1.433 0.785 2.174 1.00 0.00 H new ATOM 0 HG12 ILE A 65 1.734 -0.079 5.010 1.00 0.00 H new ATOM 0 HG13 ILE A 65 0.447 -0.831 4.089 1.00 0.00 H new ATOM 0 HG21 ILE A 65 3.179 1.739 3.619 1.00 0.00 H new ATOM 0 HG22 ILE A 65 2.032 2.974 3.049 1.00 0.00 H new ATOM 0 HG23 ILE A 65 1.923 2.361 4.717 1.00 0.00 H new ATOM 0 HD11 ILE A 65 2.545 -2.126 3.880 1.00 0.00 H new ATOM 0 HD12 ILE A 65 2.070 -1.454 2.303 1.00 0.00 H new ATOM 0 HD13 ILE A 65 3.377 -0.691 3.238 1.00 0.00 H new ATOM 923 N VAL A 66 -1.405 3.573 3.116 1.00 0.00 N ATOM 924 CA VAL A 66 -1.758 4.847 2.512 1.00 0.00 C ATOM 925 C VAL A 66 -0.557 5.792 2.590 1.00 0.00 C ATOM 926 O VAL A 66 -0.296 6.548 1.655 1.00 0.00 O ATOM 927 CB VAL A 66 -3.010 5.415 3.183 1.00 0.00 C ATOM 928 CG1 VAL A 66 -3.459 6.708 2.499 1.00 0.00 C ATOM 929 CG2 VAL A 66 -4.139 4.383 3.199 1.00 0.00 C ATOM 0 H VAL A 66 -1.883 3.370 3.994 1.00 0.00 H new ATOM 0 HA VAL A 66 -2.002 4.716 1.458 1.00 0.00 H new ATOM 0 HB VAL A 66 -2.758 5.652 4.217 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -4.351 7.091 2.995 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -2.662 7.449 2.562 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -3.685 6.506 1.452 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -5.017 4.812 3.681 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -4.388 4.101 2.176 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -3.817 3.500 3.751 1.00 0.00 H new ATOM 939 N GLU A 67 0.141 5.720 3.713 1.00 0.00 N ATOM 940 CA GLU A 67 1.308 6.560 3.925 1.00 0.00 C ATOM 941 C GLU A 67 2.359 5.811 4.747 1.00 0.00 C ATOM 942 O GLU A 67 2.037 4.853 5.449 1.00 0.00 O ATOM 943 CB GLU A 67 0.920 7.877 4.600 1.00 0.00 C ATOM 944 CG GLU A 67 2.082 8.432 5.427 1.00 0.00 C ATOM 945 CD GLU A 67 1.677 9.723 6.143 1.00 0.00 C ATOM 946 OE1 GLU A 67 1.445 10.720 5.426 1.00 0.00 O ATOM 947 OE2 GLU A 67 1.610 9.682 7.390 1.00 0.00 O ATOM 0 H GLU A 67 -0.079 5.093 4.487 1.00 0.00 H new ATOM 0 HA GLU A 67 1.739 6.801 2.953 1.00 0.00 H new ATOM 0 HB2 GLU A 67 0.627 8.605 3.844 1.00 0.00 H new ATOM 0 HB3 GLU A 67 0.054 7.719 5.243 1.00 0.00 H new ATOM 0 HG2 GLU A 67 2.399 7.690 6.159 1.00 0.00 H new ATOM 0 HG3 GLU A 67 2.936 8.624 4.778 1.00 0.00 H new ATOM 954 N VAL A 68 3.594 6.276 4.633 1.00 0.00 N ATOM 955 CA VAL A 68 4.695 5.662 5.357 1.00 0.00 C ATOM 956 C VAL A 68 5.662 6.751 5.826 1.00 0.00 C ATOM 957 O VAL A 68 6.249 7.458 5.008 1.00 0.00 O ATOM 958 CB VAL A 68 5.367 4.600 4.485 1.00 0.00 C ATOM 959 CG1 VAL A 68 6.878 4.830 4.409 1.00 0.00 C ATOM 960 CG2 VAL A 68 5.052 3.192 4.995 1.00 0.00 C ATOM 0 H VAL A 68 3.857 7.071 4.050 1.00 0.00 H new ATOM 0 HA VAL A 68 4.329 5.149 6.246 1.00 0.00 H new ATOM 0 HB VAL A 68 4.963 4.689 3.477 1.00 0.00 H new ATOM 0 HG11 VAL A 68 7.332 4.062 3.783 1.00 0.00 H new ATOM 0 HG12 VAL A 68 7.075 5.812 3.979 1.00 0.00 H new ATOM 0 HG13 VAL A 68 7.304 4.781 5.411 1.00 0.00 H new ATOM 0 HG21 VAL A 68 5.542 2.456 4.357 1.00 0.00 H new ATOM 0 HG22 VAL A 68 5.415 3.086 6.017 1.00 0.00 H new ATOM 0 HG23 VAL A 68 3.974 3.030 4.974 1.00 0.00 H new ATOM 970 N ASP A 69 5.797 6.853 7.140 1.00 0.00 N ATOM 971 CA ASP A 69 6.683 7.844 7.727 1.00 0.00 C ATOM 972 C ASP A 69 6.343 9.224 7.161 1.00 0.00 C ATOM 973 O ASP A 69 7.169 10.135 7.199 1.00 0.00 O ATOM 974 CB ASP A 69 8.145 7.543 7.392 1.00 0.00 C ATOM 975 CG ASP A 69 8.957 6.930 8.535 1.00 0.00 C ATOM 976 OD1 ASP A 69 8.848 7.465 9.659 1.00 0.00 O ATOM 977 OD2 ASP A 69 9.669 5.940 8.258 1.00 0.00 O ATOM 0 H ASP A 69 5.308 6.266 7.815 1.00 0.00 H new ATOM 0 HA ASP A 69 6.548 7.819 8.808 1.00 0.00 H new ATOM 0 HB2 ASP A 69 8.174 6.864 6.540 1.00 0.00 H new ATOM 0 HB3 ASP A 69 8.628 8.468 7.078 1.00 0.00 H new ATOM 982 N GLY A 70 5.126 9.335 6.649 1.00 0.00 N ATOM 983 CA GLY A 70 4.667 10.589 6.076 1.00 0.00 C ATOM 984 C GLY A 70 4.558 10.489 4.553 1.00 0.00 C ATOM 985 O GLY A 70 3.751 11.184 3.938 1.00 0.00 O ATOM 0 H GLY A 70 4.444 8.577 6.619 1.00 0.00 H new ATOM 0 HA2 GLY A 70 3.697 10.852 6.497 1.00 0.00 H new ATOM 0 HA3 GLY A 70 5.357 11.389 6.343 1.00 0.00 H new ATOM 989 N ILE A 71 5.382 9.618 3.989 1.00 0.00 N ATOM 990 CA ILE A 71 5.389 9.418 2.550 1.00 0.00 C ATOM 991 C ILE A 71 4.055 8.807 2.118 1.00 0.00 C ATOM 992 O ILE A 71 3.536 7.909 2.780 1.00 0.00 O ATOM 993 CB ILE A 71 6.608 8.594 2.129 1.00 0.00 C ATOM 994 CG1 ILE A 71 7.901 9.389 2.322 1.00 0.00 C ATOM 995 CG2 ILE A 71 6.457 8.085 0.695 1.00 0.00 C ATOM 996 CD1 ILE A 71 9.125 8.537 1.980 1.00 0.00 C ATOM 0 H ILE A 71 6.049 9.043 4.503 1.00 0.00 H new ATOM 0 HA ILE A 71 5.485 10.373 2.033 1.00 0.00 H new ATOM 0 HB ILE A 71 6.669 7.719 2.776 1.00 0.00 H new ATOM 0 HG12 ILE A 71 7.884 10.277 1.690 1.00 0.00 H new ATOM 0 HG13 ILE A 71 7.970 9.733 3.354 1.00 0.00 H new ATOM 0 HG21 ILE A 71 7.337 7.503 0.421 1.00 0.00 H new ATOM 0 HG22 ILE A 71 5.569 7.457 0.624 1.00 0.00 H new ATOM 0 HG23 ILE A 71 6.357 8.932 0.017 1.00 0.00 H new ATOM 0 HD11 ILE A 71 10.031 9.126 2.126 1.00 0.00 H new ATOM 0 HD12 ILE A 71 9.153 7.662 2.630 1.00 0.00 H new ATOM 0 HD13 ILE A 71 9.065 8.215 0.940 1.00 0.00 H new ATOM 1008 N SER A 72 3.537 9.318 1.011 1.00 0.00 N ATOM 1009 CA SER A 72 2.273 8.834 0.483 1.00 0.00 C ATOM 1010 C SER A 72 2.522 7.702 -0.517 1.00 0.00 C ATOM 1011 O SER A 72 3.288 7.865 -1.465 1.00 0.00 O ATOM 1012 CB SER A 72 1.484 9.964 -0.181 1.00 0.00 C ATOM 1013 OG SER A 72 0.507 9.470 -1.093 1.00 0.00 O ATOM 0 H SER A 72 3.970 10.063 0.465 1.00 0.00 H new ATOM 0 HA SER A 72 1.680 8.453 1.314 1.00 0.00 H new ATOM 0 HB2 SER A 72 0.993 10.563 0.586 1.00 0.00 H new ATOM 0 HB3 SER A 72 2.172 10.624 -0.709 1.00 0.00 H new ATOM 0 HG SER A 72 0.024 10.222 -1.494 1.00 0.00 H new ATOM 1019 N LEU A 73 1.861 6.581 -0.270 1.00 0.00 N ATOM 1020 CA LEU A 73 2.001 5.423 -1.137 1.00 0.00 C ATOM 1021 C LEU A 73 0.692 5.198 -1.895 1.00 0.00 C ATOM 1022 O LEU A 73 0.269 4.059 -2.085 1.00 0.00 O ATOM 1023 CB LEU A 73 2.464 4.206 -0.334 1.00 0.00 C ATOM 1024 CG LEU A 73 3.793 4.358 0.409 1.00 0.00 C ATOM 1025 CD1 LEU A 73 4.164 3.066 1.140 1.00 0.00 C ATOM 1026 CD2 LEU A 73 4.902 4.818 -0.541 1.00 0.00 C ATOM 0 H LEU A 73 1.227 6.450 0.518 1.00 0.00 H new ATOM 0 HA LEU A 73 2.776 5.597 -1.884 1.00 0.00 H new ATOM 0 HB2 LEU A 73 1.690 3.960 0.393 1.00 0.00 H new ATOM 0 HB3 LEU A 73 2.545 3.357 -1.013 1.00 0.00 H new ATOM 0 HG LEU A 73 3.675 5.133 1.166 1.00 0.00 H new ATOM 0 HD11 LEU A 73 5.113 3.201 1.660 1.00 0.00 H new ATOM 0 HD12 LEU A 73 3.386 2.821 1.863 1.00 0.00 H new ATOM 0 HD13 LEU A 73 4.258 2.254 0.419 1.00 0.00 H new ATOM 0 HD21 LEU A 73 5.836 4.918 0.012 1.00 0.00 H new ATOM 0 HD22 LEU A 73 5.028 4.083 -1.336 1.00 0.00 H new ATOM 0 HD23 LEU A 73 4.633 5.780 -0.976 1.00 0.00 H new ATOM 1038 N VAL A 74 0.087 6.302 -2.309 1.00 0.00 N ATOM 1039 CA VAL A 74 -1.166 6.239 -3.043 1.00 0.00 C ATOM 1040 C VAL A 74 -0.931 6.695 -4.484 1.00 0.00 C ATOM 1041 O VAL A 74 -0.264 7.701 -4.720 1.00 0.00 O ATOM 1042 CB VAL A 74 -2.236 7.062 -2.322 1.00 0.00 C ATOM 1043 CG1 VAL A 74 -3.506 7.170 -3.168 1.00 0.00 C ATOM 1044 CG2 VAL A 74 -2.543 6.475 -0.943 1.00 0.00 C ATOM 0 H VAL A 74 0.441 7.245 -2.150 1.00 0.00 H new ATOM 0 HA VAL A 74 -1.535 5.214 -3.083 1.00 0.00 H new ATOM 0 HB VAL A 74 -1.844 8.069 -2.177 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -4.250 7.760 -2.633 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -3.272 7.655 -4.116 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -3.902 6.173 -3.359 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -3.306 7.079 -0.452 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -2.905 5.453 -1.055 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -1.636 6.474 -0.338 1.00 0.00 H new ATOM 1054 N GLY A 75 -1.492 5.932 -5.411 1.00 0.00 N ATOM 1055 CA GLY A 75 -1.352 6.245 -6.823 1.00 0.00 C ATOM 1056 C GLY A 75 0.117 6.212 -7.249 1.00 0.00 C ATOM 1057 O GLY A 75 0.550 7.028 -8.061 1.00 0.00 O ATOM 0 H GLY A 75 -2.044 5.098 -5.212 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -1.922 5.530 -7.416 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -1.770 7.231 -7.024 1.00 0.00 H new ATOM 1061 N VAL A 76 0.844 5.260 -6.681 1.00 0.00 N ATOM 1062 CA VAL A 76 2.255 5.110 -6.991 1.00 0.00 C ATOM 1063 C VAL A 76 2.546 3.647 -7.328 1.00 0.00 C ATOM 1064 O VAL A 76 1.941 2.742 -6.754 1.00 0.00 O ATOM 1065 CB VAL A 76 3.105 5.638 -5.834 1.00 0.00 C ATOM 1066 CG1 VAL A 76 2.681 7.056 -5.445 1.00 0.00 C ATOM 1067 CG2 VAL A 76 3.037 4.696 -4.630 1.00 0.00 C ATOM 0 H VAL A 76 0.481 4.585 -6.008 1.00 0.00 H new ATOM 0 HA VAL A 76 2.518 5.704 -7.866 1.00 0.00 H new ATOM 0 HB VAL A 76 4.141 5.678 -6.170 1.00 0.00 H new ATOM 0 HG11 VAL A 76 3.301 7.408 -4.620 1.00 0.00 H new ATOM 0 HG12 VAL A 76 2.804 7.720 -6.300 1.00 0.00 H new ATOM 0 HG13 VAL A 76 1.636 7.051 -5.137 1.00 0.00 H new ATOM 0 HG21 VAL A 76 3.650 5.094 -3.821 1.00 0.00 H new ATOM 0 HG22 VAL A 76 2.004 4.610 -4.294 1.00 0.00 H new ATOM 0 HG23 VAL A 76 3.409 3.712 -4.916 1.00 0.00 H new ATOM 1077 N THR A 77 3.473 3.459 -8.256 1.00 0.00 N ATOM 1078 CA THR A 77 3.852 2.120 -8.675 1.00 0.00 C ATOM 1079 C THR A 77 4.577 1.392 -7.542 1.00 0.00 C ATOM 1080 O THR A 77 5.371 1.993 -6.821 1.00 0.00 O ATOM 1081 CB THR A 77 4.687 2.243 -9.951 1.00 0.00 C ATOM 1082 OG1 THR A 77 5.024 0.897 -10.276 1.00 0.00 O ATOM 1083 CG2 THR A 77 6.038 2.917 -9.705 1.00 0.00 C ATOM 0 H THR A 77 3.973 4.212 -8.730 1.00 0.00 H new ATOM 0 HA THR A 77 2.975 1.513 -8.900 1.00 0.00 H new ATOM 0 HB THR A 77 4.129 2.811 -10.696 1.00 0.00 H new ATOM 0 HG1 THR A 77 5.565 0.883 -11.093 1.00 0.00 H new ATOM 0 HG21 THR A 77 6.590 2.979 -10.643 1.00 0.00 H new ATOM 0 HG22 THR A 77 5.878 3.921 -9.312 1.00 0.00 H new ATOM 0 HG23 THR A 77 6.611 2.332 -8.985 1.00 0.00 H new ATOM 1091 N GLN A 78 4.279 0.106 -7.421 1.00 0.00 N ATOM 1092 CA GLN A 78 4.892 -0.711 -6.389 1.00 0.00 C ATOM 1093 C GLN A 78 6.344 -0.282 -6.166 1.00 0.00 C ATOM 1094 O GLN A 78 6.770 -0.087 -5.028 1.00 0.00 O ATOM 1095 CB GLN A 78 4.807 -2.197 -6.742 1.00 0.00 C ATOM 1096 CG GLN A 78 5.059 -3.069 -5.510 1.00 0.00 C ATOM 1097 CD GLN A 78 6.282 -3.964 -5.713 1.00 0.00 C ATOM 1098 OE1 GLN A 78 7.420 -3.549 -5.560 1.00 0.00 O ATOM 1099 NE2 GLN A 78 5.987 -5.213 -6.064 1.00 0.00 N ATOM 0 H GLN A 78 3.620 -0.390 -8.022 1.00 0.00 H new ATOM 0 HA GLN A 78 4.342 -0.561 -5.460 1.00 0.00 H new ATOM 0 HB2 GLN A 78 3.823 -2.421 -7.155 1.00 0.00 H new ATOM 0 HB3 GLN A 78 5.538 -2.433 -7.515 1.00 0.00 H new ATOM 0 HG2 GLN A 78 5.209 -2.435 -4.636 1.00 0.00 H new ATOM 0 HG3 GLN A 78 4.182 -3.685 -5.311 1.00 0.00 H new ATOM 0 HE21 GLN A 78 5.013 -5.495 -6.175 1.00 0.00 H new ATOM 0 HE22 GLN A 78 6.735 -5.888 -6.222 1.00 0.00 H new ATOM 1108 N ASN A 79 7.064 -0.148 -7.270 1.00 0.00 N ATOM 1109 CA ASN A 79 8.459 0.253 -7.209 1.00 0.00 C ATOM 1110 C ASN A 79 8.618 1.375 -6.181 1.00 0.00 C ATOM 1111 O ASN A 79 9.361 1.232 -5.211 1.00 0.00 O ATOM 1112 CB ASN A 79 8.940 0.781 -8.563 1.00 0.00 C ATOM 1113 CG ASN A 79 10.276 0.147 -8.955 1.00 0.00 C ATOM 1114 OD1 ASN A 79 10.479 -1.051 -8.850 1.00 0.00 O ATOM 1115 ND2 ASN A 79 11.174 1.016 -9.411 1.00 0.00 N ATOM 0 H ASN A 79 6.707 -0.310 -8.212 1.00 0.00 H new ATOM 0 HA ASN A 79 9.049 -0.620 -6.932 1.00 0.00 H new ATOM 0 HB2 ASN A 79 8.193 0.566 -9.327 1.00 0.00 H new ATOM 0 HB3 ASN A 79 9.047 1.865 -8.518 1.00 0.00 H new ATOM 0 HD21 ASN A 79 12.097 0.692 -9.698 1.00 0.00 H new ATOM 0 HD22 ASN A 79 10.939 2.007 -9.473 1.00 0.00 H new ATOM 1122 N PHE A 80 7.909 2.467 -6.429 1.00 0.00 N ATOM 1123 CA PHE A 80 7.962 3.612 -5.537 1.00 0.00 C ATOM 1124 C PHE A 80 7.834 3.176 -4.076 1.00 0.00 C ATOM 1125 O PHE A 80 8.705 3.467 -3.259 1.00 0.00 O ATOM 1126 CB PHE A 80 6.778 4.513 -5.894 1.00 0.00 C ATOM 1127 CG PHE A 80 6.603 5.711 -4.960 1.00 0.00 C ATOM 1128 CD1 PHE A 80 7.259 6.875 -5.216 1.00 0.00 C ATOM 1129 CD2 PHE A 80 5.792 5.614 -3.872 1.00 0.00 C ATOM 1130 CE1 PHE A 80 7.098 7.987 -4.349 1.00 0.00 C ATOM 1131 CE2 PHE A 80 5.630 6.726 -3.005 1.00 0.00 C ATOM 1132 CZ PHE A 80 6.287 7.890 -3.262 1.00 0.00 C ATOM 0 H PHE A 80 7.295 2.582 -7.235 1.00 0.00 H new ATOM 0 HA PHE A 80 8.915 4.128 -5.652 1.00 0.00 H new ATOM 0 HB2 PHE A 80 6.906 4.876 -6.914 1.00 0.00 H new ATOM 0 HB3 PHE A 80 5.865 3.918 -5.880 1.00 0.00 H new ATOM 0 HD1 PHE A 80 7.903 6.953 -6.080 1.00 0.00 H new ATOM 0 HD2 PHE A 80 5.271 4.690 -3.668 1.00 0.00 H new ATOM 0 HE1 PHE A 80 7.620 8.910 -4.553 1.00 0.00 H new ATOM 0 HE2 PHE A 80 4.986 6.649 -2.142 1.00 0.00 H new ATOM 0 HZ PHE A 80 6.164 8.736 -2.603 1.00 0.00 H new ATOM 1142 N ALA A 81 6.739 2.485 -3.793 1.00 0.00 N ATOM 1143 CA ALA A 81 6.485 2.006 -2.445 1.00 0.00 C ATOM 1144 C ALA A 81 7.697 1.212 -1.953 1.00 0.00 C ATOM 1145 O ALA A 81 8.177 1.429 -0.842 1.00 0.00 O ATOM 1146 CB ALA A 81 5.200 1.176 -2.431 1.00 0.00 C ATOM 0 H ALA A 81 6.018 2.246 -4.474 1.00 0.00 H new ATOM 0 HA ALA A 81 6.340 2.843 -1.762 1.00 0.00 H new ATOM 0 HB1 ALA A 81 5.010 0.817 -1.420 1.00 0.00 H new ATOM 0 HB2 ALA A 81 4.364 1.794 -2.760 1.00 0.00 H new ATOM 0 HB3 ALA A 81 5.309 0.325 -3.104 1.00 0.00 H new ATOM 1152 N ALA A 82 8.157 0.307 -2.806 1.00 0.00 N ATOM 1153 CA ALA A 82 9.303 -0.521 -2.473 1.00 0.00 C ATOM 1154 C ALA A 82 10.465 0.375 -2.039 1.00 0.00 C ATOM 1155 O ALA A 82 11.137 0.091 -1.049 1.00 0.00 O ATOM 1156 CB ALA A 82 9.662 -1.402 -3.671 1.00 0.00 C ATOM 0 H ALA A 82 7.756 0.130 -3.727 1.00 0.00 H new ATOM 0 HA ALA A 82 9.069 -1.184 -1.640 1.00 0.00 H new ATOM 0 HB1 ALA A 82 10.522 -2.023 -3.421 1.00 0.00 H new ATOM 0 HB2 ALA A 82 8.814 -2.040 -3.921 1.00 0.00 H new ATOM 0 HB3 ALA A 82 9.906 -0.772 -4.526 1.00 0.00 H new ATOM 1162 N THR A 83 10.666 1.440 -2.802 1.00 0.00 N ATOM 1163 CA THR A 83 11.735 2.379 -2.509 1.00 0.00 C ATOM 1164 C THR A 83 11.483 3.074 -1.170 1.00 0.00 C ATOM 1165 O THR A 83 12.373 3.141 -0.323 1.00 0.00 O ATOM 1166 CB THR A 83 11.847 3.350 -3.686 1.00 0.00 C ATOM 1167 OG1 THR A 83 12.357 2.550 -4.749 1.00 0.00 O ATOM 1168 CG2 THR A 83 12.927 4.412 -3.468 1.00 0.00 C ATOM 0 H THR A 83 10.106 1.673 -3.622 1.00 0.00 H new ATOM 0 HA THR A 83 12.691 1.867 -2.399 1.00 0.00 H new ATOM 0 HB THR A 83 10.885 3.837 -3.847 1.00 0.00 H new ATOM 0 HG1 THR A 83 12.459 3.101 -5.553 1.00 0.00 H new ATOM 0 HG21 THR A 83 12.965 5.075 -4.332 1.00 0.00 H new ATOM 0 HG22 THR A 83 12.692 4.992 -2.576 1.00 0.00 H new ATOM 0 HG23 THR A 83 13.894 3.926 -3.341 1.00 0.00 H new ATOM 1176 N VAL A 84 10.265 3.574 -1.019 1.00 0.00 N ATOM 1177 CA VAL A 84 9.883 4.261 0.203 1.00 0.00 C ATOM 1178 C VAL A 84 10.148 3.347 1.401 1.00 0.00 C ATOM 1179 O VAL A 84 10.849 3.731 2.336 1.00 0.00 O ATOM 1180 CB VAL A 84 8.427 4.721 0.112 1.00 0.00 C ATOM 1181 CG1 VAL A 84 7.941 5.271 1.454 1.00 0.00 C ATOM 1182 CG2 VAL A 84 8.247 5.755 -1.002 1.00 0.00 C ATOM 0 H VAL A 84 9.530 3.517 -1.723 1.00 0.00 H new ATOM 0 HA VAL A 84 10.485 5.159 0.340 1.00 0.00 H new ATOM 0 HB VAL A 84 7.816 3.853 -0.135 1.00 0.00 H new ATOM 0 HG11 VAL A 84 6.903 5.591 1.362 1.00 0.00 H new ATOM 0 HG12 VAL A 84 8.015 4.493 2.214 1.00 0.00 H new ATOM 0 HG13 VAL A 84 8.558 6.121 1.744 1.00 0.00 H new ATOM 0 HG21 VAL A 84 7.203 6.065 -1.045 1.00 0.00 H new ATOM 0 HG22 VAL A 84 8.875 6.622 -0.798 1.00 0.00 H new ATOM 0 HG23 VAL A 84 8.534 5.315 -1.957 1.00 0.00 H new ATOM 1192 N LEU A 85 9.573 2.155 1.333 1.00 0.00 N ATOM 1193 CA LEU A 85 9.737 1.183 2.401 1.00 0.00 C ATOM 1194 C LEU A 85 11.229 0.966 2.661 1.00 0.00 C ATOM 1195 O LEU A 85 11.624 0.611 3.770 1.00 0.00 O ATOM 1196 CB LEU A 85 8.976 -0.103 2.077 1.00 0.00 C ATOM 1197 CG LEU A 85 7.454 0.023 1.986 1.00 0.00 C ATOM 1198 CD1 LEU A 85 6.835 -1.234 1.371 1.00 0.00 C ATOM 1199 CD2 LEU A 85 6.848 0.350 3.353 1.00 0.00 C ATOM 0 H LEU A 85 8.993 1.840 0.555 1.00 0.00 H new ATOM 0 HA LEU A 85 9.302 1.558 3.328 1.00 0.00 H new ATOM 0 HB2 LEU A 85 9.346 -0.491 1.128 1.00 0.00 H new ATOM 0 HB3 LEU A 85 9.214 -0.845 2.839 1.00 0.00 H new ATOM 0 HG LEU A 85 7.220 0.855 1.322 1.00 0.00 H new ATOM 0 HD11 LEU A 85 5.752 -1.118 1.318 1.00 0.00 H new ATOM 0 HD12 LEU A 85 7.234 -1.382 0.367 1.00 0.00 H new ATOM 0 HD13 LEU A 85 7.077 -2.099 1.989 1.00 0.00 H new ATOM 0 HD21 LEU A 85 5.765 0.434 3.260 1.00 0.00 H new ATOM 0 HD22 LEU A 85 7.091 -0.445 4.058 1.00 0.00 H new ATOM 0 HD23 LEU A 85 7.256 1.294 3.715 1.00 0.00 H new ATOM 1211 N ARG A 86 12.017 1.188 1.619 1.00 0.00 N ATOM 1212 CA ARG A 86 13.457 1.021 1.721 1.00 0.00 C ATOM 1213 C ARG A 86 14.099 2.285 2.296 1.00 0.00 C ATOM 1214 O ARG A 86 15.193 2.230 2.857 1.00 0.00 O ATOM 1215 CB ARG A 86 14.075 0.721 0.354 1.00 0.00 C ATOM 1216 CG ARG A 86 13.929 -0.761 0.000 1.00 0.00 C ATOM 1217 CD ARG A 86 15.189 -1.286 -0.691 1.00 0.00 C ATOM 1218 NE ARG A 86 16.153 -1.777 0.320 1.00 0.00 N ATOM 1219 CZ ARG A 86 17.153 -2.627 0.053 1.00 0.00 C ATOM 1220 NH1 ARG A 86 17.328 -3.086 -1.194 1.00 0.00 N ATOM 1221 NH2 ARG A 86 17.980 -3.018 1.032 1.00 0.00 N ATOM 0 H ARG A 86 11.686 1.482 0.700 1.00 0.00 H new ATOM 0 HA ARG A 86 13.646 0.178 2.386 1.00 0.00 H new ATOM 0 HB2 ARG A 86 13.591 1.330 -0.409 1.00 0.00 H new ATOM 0 HB3 ARG A 86 15.130 0.995 0.360 1.00 0.00 H new ATOM 0 HG2 ARG A 86 13.739 -1.338 0.905 1.00 0.00 H new ATOM 0 HG3 ARG A 86 13.067 -0.900 -0.653 1.00 0.00 H new ATOM 0 HD2 ARG A 86 14.928 -2.091 -1.378 1.00 0.00 H new ATOM 0 HD3 ARG A 86 15.645 -0.494 -1.286 1.00 0.00 H new ATOM 0 HE ARG A 86 16.049 -1.447 1.280 1.00 0.00 H new ATOM 0 HH11 ARG A 86 16.700 -2.788 -1.940 1.00 0.00 H new ATOM 0 HH12 ARG A 86 18.090 -3.733 -1.397 1.00 0.00 H new ATOM 0 HH21 ARG A 86 17.848 -2.668 1.981 1.00 0.00 H new ATOM 0 HH22 ARG A 86 18.741 -3.665 0.828 1.00 0.00 H new ATOM 1235 N ASN A 87 13.392 3.394 2.138 1.00 0.00 N ATOM 1236 CA ASN A 87 13.879 4.670 2.634 1.00 0.00 C ATOM 1237 C ASN A 87 13.718 4.715 4.155 1.00 0.00 C ATOM 1238 O ASN A 87 14.636 5.118 4.868 1.00 0.00 O ATOM 1239 CB ASN A 87 13.082 5.833 2.040 1.00 0.00 C ATOM 1240 CG ASN A 87 13.837 6.475 0.874 1.00 0.00 C ATOM 1241 OD1 ASN A 87 14.856 7.124 1.042 1.00 0.00 O ATOM 1242 ND2 ASN A 87 13.281 6.259 -0.315 1.00 0.00 N ATOM 0 H ASN A 87 12.485 3.435 1.673 1.00 0.00 H new ATOM 0 HA ASN A 87 14.926 4.766 2.346 1.00 0.00 H new ATOM 0 HB2 ASN A 87 12.111 5.476 1.697 1.00 0.00 H new ATOM 0 HB3 ASN A 87 12.892 6.580 2.811 1.00 0.00 H new ATOM 0 HD21 ASN A 87 13.709 6.646 -1.156 1.00 0.00 H new ATOM 0 HD22 ASN A 87 12.427 5.706 -0.386 1.00 0.00 H new ATOM 1249 N THR A 88 12.545 4.297 4.607 1.00 0.00 N ATOM 1250 CA THR A 88 12.252 4.285 6.030 1.00 0.00 C ATOM 1251 C THR A 88 13.478 3.826 6.823 1.00 0.00 C ATOM 1252 O THR A 88 14.385 3.207 6.268 1.00 0.00 O ATOM 1253 CB THR A 88 11.021 3.404 6.252 1.00 0.00 C ATOM 1254 OG1 THR A 88 11.432 2.114 5.805 1.00 0.00 O ATOM 1255 CG2 THR A 88 9.864 3.770 5.320 1.00 0.00 C ATOM 0 H THR A 88 11.786 3.964 4.013 1.00 0.00 H new ATOM 0 HA THR A 88 12.023 5.286 6.395 1.00 0.00 H new ATOM 0 HB THR A 88 10.694 3.491 7.288 1.00 0.00 H new ATOM 0 HG1 THR A 88 11.233 2.020 4.850 1.00 0.00 H new ATOM 0 HG21 THR A 88 9.016 3.115 5.519 1.00 0.00 H new ATOM 0 HG22 THR A 88 9.571 4.806 5.493 1.00 0.00 H new ATOM 0 HG23 THR A 88 10.180 3.650 4.284 1.00 0.00 H new ATOM 1263 N LYS A 89 13.466 4.148 8.108 1.00 0.00 N ATOM 1264 CA LYS A 89 14.565 3.777 8.983 1.00 0.00 C ATOM 1265 C LYS A 89 14.005 3.156 10.263 1.00 0.00 C ATOM 1266 O LYS A 89 12.809 2.883 10.353 1.00 0.00 O ATOM 1267 CB LYS A 89 15.481 4.978 9.231 1.00 0.00 C ATOM 1268 CG LYS A 89 16.031 5.530 7.914 1.00 0.00 C ATOM 1269 CD LYS A 89 17.307 4.793 7.502 1.00 0.00 C ATOM 1270 CE LYS A 89 17.719 5.165 6.076 1.00 0.00 C ATOM 1271 NZ LYS A 89 18.732 6.244 6.094 1.00 0.00 N ATOM 0 H LYS A 89 12.712 4.662 8.564 1.00 0.00 H new ATOM 0 HA LYS A 89 15.191 3.021 8.509 1.00 0.00 H new ATOM 0 HB2 LYS A 89 14.929 5.759 9.754 1.00 0.00 H new ATOM 0 HB3 LYS A 89 16.307 4.683 9.879 1.00 0.00 H new ATOM 0 HG2 LYS A 89 15.279 5.429 7.131 1.00 0.00 H new ATOM 0 HG3 LYS A 89 16.240 6.595 8.020 1.00 0.00 H new ATOM 0 HD2 LYS A 89 18.113 5.040 8.193 1.00 0.00 H new ATOM 0 HD3 LYS A 89 17.147 3.717 7.569 1.00 0.00 H new ATOM 0 HE2 LYS A 89 18.121 4.289 5.567 1.00 0.00 H new ATOM 0 HE3 LYS A 89 16.845 5.488 5.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 19.001 6.484 5.118 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 18.336 7.084 6.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 19.573 5.922 6.615 1.00 0.00 H new ATOM 1285 N GLY A 90 14.896 2.951 11.222 1.00 0.00 N ATOM 1286 CA GLY A 90 14.506 2.366 12.494 1.00 0.00 C ATOM 1287 C GLY A 90 12.990 2.446 12.692 1.00 0.00 C ATOM 1288 O GLY A 90 12.275 1.479 12.431 1.00 0.00 O ATOM 0 H GLY A 90 15.887 3.180 11.144 1.00 0.00 H new ATOM 0 HA2 GLY A 90 14.827 1.325 12.534 1.00 0.00 H new ATOM 0 HA3 GLY A 90 15.011 2.886 13.308 1.00 0.00 H new ATOM 1292 N ASN A 91 12.545 3.606 13.151 1.00 0.00 N ATOM 1293 CA ASN A 91 11.128 3.824 13.386 1.00 0.00 C ATOM 1294 C ASN A 91 10.446 4.184 12.065 1.00 0.00 C ATOM 1295 O ASN A 91 10.982 4.962 11.277 1.00 0.00 O ATOM 1296 CB ASN A 91 10.904 4.979 14.364 1.00 0.00 C ATOM 1297 CG ASN A 91 9.425 5.103 14.735 1.00 0.00 C ATOM 1298 OD1 ASN A 91 8.723 6.003 14.302 1.00 0.00 O ATOM 1299 ND2 ASN A 91 8.991 4.153 15.558 1.00 0.00 N ATOM 0 H ASN A 91 13.141 4.405 13.367 1.00 0.00 H new ATOM 0 HA ASN A 91 10.711 2.909 13.806 1.00 0.00 H new ATOM 0 HB2 ASN A 91 11.496 4.818 15.265 1.00 0.00 H new ATOM 0 HB3 ASN A 91 11.250 5.911 13.917 1.00 0.00 H new ATOM 0 HD21 ASN A 91 8.018 4.149 15.864 1.00 0.00 H new ATOM 0 HD22 ASN A 91 9.631 3.428 15.883 1.00 0.00 H new ATOM 1306 N VAL A 92 9.273 3.601 11.864 1.00 0.00 N ATOM 1307 CA VAL A 92 8.512 3.851 10.651 1.00 0.00 C ATOM 1308 C VAL A 92 7.029 3.988 11.005 1.00 0.00 C ATOM 1309 O VAL A 92 6.483 3.165 11.737 1.00 0.00 O ATOM 1310 CB VAL A 92 8.782 2.748 9.627 1.00 0.00 C ATOM 1311 CG1 VAL A 92 8.097 3.057 8.294 1.00 0.00 C ATOM 1312 CG2 VAL A 92 10.285 2.534 9.434 1.00 0.00 C ATOM 0 H VAL A 92 8.831 2.957 12.520 1.00 0.00 H new ATOM 0 HA VAL A 92 8.825 4.788 10.190 1.00 0.00 H new ATOM 0 HB VAL A 92 8.359 1.821 10.014 1.00 0.00 H new ATOM 0 HG11 VAL A 92 8.305 2.257 7.584 1.00 0.00 H new ATOM 0 HG12 VAL A 92 7.021 3.135 8.447 1.00 0.00 H new ATOM 0 HG13 VAL A 92 8.476 4.000 7.900 1.00 0.00 H new ATOM 0 HG21 VAL A 92 10.449 1.744 8.701 1.00 0.00 H new ATOM 0 HG22 VAL A 92 10.742 3.458 9.080 1.00 0.00 H new ATOM 0 HG23 VAL A 92 10.737 2.247 10.384 1.00 0.00 H new ATOM 1322 N ARG A 93 6.420 5.035 10.467 1.00 0.00 N ATOM 1323 CA ARG A 93 5.012 5.291 10.717 1.00 0.00 C ATOM 1324 C ARG A 93 4.174 4.872 9.507 1.00 0.00 C ATOM 1325 O ARG A 93 4.156 5.563 8.490 1.00 0.00 O ATOM 1326 CB ARG A 93 4.765 6.772 11.011 1.00 0.00 C ATOM 1327 CG ARG A 93 4.019 6.951 12.335 1.00 0.00 C ATOM 1328 CD ARG A 93 3.212 8.250 12.339 1.00 0.00 C ATOM 1329 NE ARG A 93 2.797 8.585 13.720 1.00 0.00 N ATOM 1330 CZ ARG A 93 2.096 9.678 14.049 1.00 0.00 C ATOM 1331 NH1 ARG A 93 1.727 10.549 13.100 1.00 0.00 N ATOM 1332 NH2 ARG A 93 1.763 9.900 15.328 1.00 0.00 N ATOM 0 H ARG A 93 6.876 5.715 9.859 1.00 0.00 H new ATOM 0 HA ARG A 93 4.718 4.705 11.588 1.00 0.00 H new ATOM 0 HB2 ARG A 93 5.717 7.302 11.051 1.00 0.00 H new ATOM 0 HB3 ARG A 93 4.187 7.216 10.201 1.00 0.00 H new ATOM 0 HG2 ARG A 93 3.352 6.104 12.498 1.00 0.00 H new ATOM 0 HG3 ARG A 93 4.732 6.959 13.160 1.00 0.00 H new ATOM 0 HD2 ARG A 93 3.811 9.061 11.924 1.00 0.00 H new ATOM 0 HD3 ARG A 93 2.334 8.144 11.702 1.00 0.00 H new ATOM 0 HE ARG A 93 3.061 7.943 14.468 1.00 0.00 H new ATOM 0 HH11 ARG A 93 1.980 10.380 12.126 1.00 0.00 H new ATOM 0 HH12 ARG A 93 1.193 11.381 13.351 1.00 0.00 H new ATOM 0 HH21 ARG A 93 2.043 9.237 16.050 1.00 0.00 H new ATOM 0 HH22 ARG A 93 1.229 10.732 15.579 1.00 0.00 H new ATOM 1346 N PHE A 94 3.500 3.741 9.658 1.00 0.00 N ATOM 1347 CA PHE A 94 2.662 3.221 8.590 1.00 0.00 C ATOM 1348 C PHE A 94 1.195 3.593 8.815 1.00 0.00 C ATOM 1349 O PHE A 94 0.611 3.238 9.838 1.00 0.00 O ATOM 1350 CB PHE A 94 2.800 1.698 8.615 1.00 0.00 C ATOM 1351 CG PHE A 94 4.208 1.195 8.289 1.00 0.00 C ATOM 1352 CD1 PHE A 94 4.631 1.146 6.998 1.00 0.00 C ATOM 1353 CD2 PHE A 94 5.037 0.797 9.292 1.00 0.00 C ATOM 1354 CE1 PHE A 94 5.937 0.679 6.695 1.00 0.00 C ATOM 1355 CE2 PHE A 94 6.343 0.330 8.989 1.00 0.00 C ATOM 1356 CZ PHE A 94 6.766 0.281 7.698 1.00 0.00 C ATOM 0 H PHE A 94 3.517 3.170 10.503 1.00 0.00 H new ATOM 0 HA PHE A 94 2.973 3.642 7.634 1.00 0.00 H new ATOM 0 HB2 PHE A 94 2.515 1.334 9.602 1.00 0.00 H new ATOM 0 HB3 PHE A 94 2.097 1.268 7.901 1.00 0.00 H new ATOM 0 HD1 PHE A 94 3.973 1.463 6.202 1.00 0.00 H new ATOM 0 HD2 PHE A 94 4.702 0.836 10.318 1.00 0.00 H new ATOM 0 HE1 PHE A 94 6.272 0.640 5.669 1.00 0.00 H new ATOM 0 HE2 PHE A 94 7.001 0.013 9.785 1.00 0.00 H new ATOM 0 HZ PHE A 94 7.760 -0.074 7.468 1.00 0.00 H new ATOM 1366 N VAL A 95 0.642 4.301 7.842 1.00 0.00 N ATOM 1367 CA VAL A 95 -0.746 4.725 7.920 1.00 0.00 C ATOM 1368 C VAL A 95 -1.614 3.766 7.102 1.00 0.00 C ATOM 1369 O VAL A 95 -1.789 3.955 5.899 1.00 0.00 O ATOM 1370 CB VAL A 95 -0.875 6.181 7.469 1.00 0.00 C ATOM 1371 CG1 VAL A 95 -2.313 6.501 7.056 1.00 0.00 C ATOM 1372 CG2 VAL A 95 -0.392 7.138 8.561 1.00 0.00 C ATOM 0 H VAL A 95 1.130 4.592 6.995 1.00 0.00 H new ATOM 0 HA VAL A 95 -1.100 4.686 8.950 1.00 0.00 H new ATOM 0 HB VAL A 95 -0.237 6.320 6.596 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -2.378 7.542 6.740 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -2.608 5.852 6.231 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -2.980 6.337 7.903 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -0.494 8.166 8.215 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -0.992 6.996 9.460 1.00 0.00 H new ATOM 0 HG23 VAL A 95 0.655 6.934 8.787 1.00 0.00 H new ATOM 1382 N ILE A 96 -2.135 2.759 7.787 1.00 0.00 N ATOM 1383 CA ILE A 96 -2.980 1.771 7.139 1.00 0.00 C ATOM 1384 C ILE A 96 -4.403 2.321 7.022 1.00 0.00 C ATOM 1385 O ILE A 96 -4.796 3.202 7.785 1.00 0.00 O ATOM 1386 CB ILE A 96 -2.898 0.431 7.873 1.00 0.00 C ATOM 1387 CG1 ILE A 96 -1.477 0.168 8.377 1.00 0.00 C ATOM 1388 CG2 ILE A 96 -3.414 -0.709 6.993 1.00 0.00 C ATOM 1389 CD1 ILE A 96 -0.445 0.470 7.289 1.00 0.00 C ATOM 0 H ILE A 96 -1.988 2.606 8.785 1.00 0.00 H new ATOM 0 HA ILE A 96 -2.628 1.576 6.126 1.00 0.00 H new ATOM 0 HB ILE A 96 -3.546 0.481 8.748 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -1.278 0.785 9.253 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -1.385 -0.872 8.692 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -3.345 -1.650 7.539 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -4.454 -0.520 6.726 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -2.812 -0.770 6.087 1.00 0.00 H new ATOM 0 HD11 ILE A 96 0.556 0.275 7.673 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -0.632 -0.166 6.424 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -0.523 1.516 6.994 1.00 0.00 H new ATOM 1401 N GLY A 97 -5.135 1.780 6.060 1.00 0.00 N ATOM 1402 CA GLY A 97 -6.506 2.206 5.832 1.00 0.00 C ATOM 1403 C GLY A 97 -7.485 1.058 6.085 1.00 0.00 C ATOM 1404 O GLY A 97 -7.634 0.169 5.249 1.00 0.00 O ATOM 0 H GLY A 97 -4.805 1.050 5.429 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -6.744 3.043 6.488 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -6.614 2.562 4.808 1.00 0.00 H new ATOM 1408 N ARG A 98 -8.129 1.116 7.242 1.00 0.00 N ATOM 1409 CA ARG A 98 -9.090 0.092 7.615 1.00 0.00 C ATOM 1410 C ARG A 98 -10.496 0.494 7.163 1.00 0.00 C ATOM 1411 O ARG A 98 -10.808 1.681 7.076 1.00 0.00 O ATOM 1412 CB ARG A 98 -9.094 -0.135 9.128 1.00 0.00 C ATOM 1413 CG ARG A 98 -8.762 -1.590 9.465 1.00 0.00 C ATOM 1414 CD ARG A 98 -7.401 -1.696 10.156 1.00 0.00 C ATOM 1415 NE ARG A 98 -6.594 -2.763 9.523 1.00 0.00 N ATOM 1416 CZ ARG A 98 -6.959 -4.051 9.474 1.00 0.00 C ATOM 1417 NH1 ARG A 98 -8.120 -4.441 10.020 1.00 0.00 N ATOM 1418 NH2 ARG A 98 -6.164 -4.951 8.879 1.00 0.00 N ATOM 0 H ARG A 98 -8.004 1.856 7.933 1.00 0.00 H new ATOM 0 HA ARG A 98 -8.796 -0.834 7.121 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -8.368 0.526 9.600 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -10.072 0.122 9.535 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -9.536 -2.003 10.112 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -8.758 -2.187 8.553 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -6.875 -0.743 10.090 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -7.538 -1.912 11.216 1.00 0.00 H new ATOM 0 HE ARG A 98 -5.705 -2.501 9.098 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -8.726 -3.757 10.473 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -8.397 -5.422 9.982 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -5.281 -4.655 8.463 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -6.442 -5.932 8.842 1.00 0.00 H new ATOM 1432 N GLU A 99 -11.306 -0.517 6.888 1.00 0.00 N ATOM 1433 CA GLU A 99 -12.671 -0.284 6.447 1.00 0.00 C ATOM 1434 C GLU A 99 -13.576 -0.001 7.649 1.00 0.00 C ATOM 1435 O GLU A 99 -13.784 -0.872 8.492 1.00 0.00 O ATOM 1436 CB GLU A 99 -13.195 -1.469 5.634 1.00 0.00 C ATOM 1437 CG GLU A 99 -13.154 -1.165 4.134 1.00 0.00 C ATOM 1438 CD GLU A 99 -12.931 -2.443 3.322 1.00 0.00 C ATOM 1439 OE1 GLU A 99 -13.604 -3.445 3.646 1.00 0.00 O ATOM 1440 OE2 GLU A 99 -12.093 -2.388 2.396 1.00 0.00 O ATOM 0 H GLU A 99 -11.044 -1.500 6.962 1.00 0.00 H new ATOM 0 HA GLU A 99 -12.677 0.591 5.797 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -12.595 -2.354 5.846 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -14.217 -1.697 5.935 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -14.089 -0.694 3.829 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -12.356 -0.453 3.925 1.00 0.00 H new