USER MOD reduce.3.24.130724 H: found=0, std=0, add=566, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 568 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 45 THR OG1 : rot 26:sc= 0.663 USER MOD Set 1.2: A 74 THR OG1 : rot -130:sc= -2.52! USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 35:sc= 0.115 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 90:sc= -0.975 USER MOD Single : A 39 SER OG : rot -87:sc= -0.412! USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ -131:sc= -3.55 (180deg=-9.76!) USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 GLN : amide:sc= -1.6 K(o=-1.6,f=-2.9!) USER MOD Single : A 55 ASN : amide:sc= 0 X(o=0,f=-0.091) USER MOD Single : A 57 ASN : amide:sc= -0.478 X(o=-0.48,f=-0.95) USER MOD Single : A 58 SER OG : rot 24:sc= 0.0453 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 TYR OH : rot 150:sc= -0.299 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 158:sc= -0.894 (180deg=-1.76!) USER MOD Single : A 82 ASN : amide:sc= 0.468 K(o=0.47,f=-0.25) USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 SER OG : rot 20:sc= 0.675 USER MOD Single : A 86 GLN :FLIP amide:sc= -0.28 F(o=-1.3,f=-0.28) USER MOD Single : A 87 SER OG : rot 152:sc= 0.355 USER MOD Single : A 88 SER OG : rot 180:sc= 0.0124 USER MOD Single : A 90 ASN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 105 N ALA A 11 5.438 3.883 2.555 1.00 0.00 N ATOM 106 CA ALA A 11 4.225 3.316 1.980 1.00 0.00 C ATOM 107 C ALA A 11 3.227 4.409 1.616 1.00 0.00 C ATOM 108 O ALA A 11 2.020 4.175 1.580 1.00 0.00 O ATOM 109 CB ALA A 11 3.596 2.324 2.947 1.00 0.00 C ATOM 0 HA ALA A 11 4.498 2.791 1.065 1.00 0.00 H new ATOM 0 HB1 ALA A 11 2.691 1.908 2.504 1.00 0.00 H new ATOM 0 HB2 ALA A 11 4.302 1.519 3.153 1.00 0.00 H new ATOM 0 HB3 ALA A 11 3.344 2.833 3.878 1.00 0.00 H new ATOM 115 N GLY A 12 3.739 5.607 1.347 1.00 0.00 N ATOM 116 CA GLY A 12 2.878 6.719 0.990 1.00 0.00 C ATOM 117 C GLY A 12 2.004 7.168 2.143 1.00 0.00 C ATOM 118 O GLY A 12 1.773 6.429 3.100 1.00 0.00 O ATOM 0 H GLY A 12 4.735 5.827 1.370 1.00 0.00 H new ATOM 0 HA2 GLY A 12 3.491 7.556 0.655 1.00 0.00 H new ATOM 0 HA3 GLY A 12 2.246 6.430 0.150 1.00 0.00 H new ATOM 122 N PRO A 13 1.502 8.410 2.062 1.00 0.00 N ATOM 123 CA PRO A 13 0.642 8.985 3.100 1.00 0.00 C ATOM 124 C PRO A 13 -0.733 8.327 3.143 1.00 0.00 C ATOM 125 O PRO A 13 -0.991 7.359 2.428 1.00 0.00 O ATOM 126 CB PRO A 13 0.519 10.454 2.684 1.00 0.00 C ATOM 127 CG PRO A 13 0.751 10.452 1.213 1.00 0.00 C ATOM 128 CD PRO A 13 1.737 9.347 0.951 1.00 0.00 C ATOM 0 HA PRO A 13 1.056 8.843 4.098 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -0.465 10.854 2.929 1.00 0.00 H new ATOM 0 HB3 PRO A 13 1.252 11.074 3.200 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -0.179 10.281 0.671 1.00 0.00 H new ATOM 0 HG3 PRO A 13 1.143 11.412 0.878 1.00 0.00 H new ATOM 0 HD2 PRO A 13 1.564 8.875 -0.016 1.00 0.00 H new ATOM 0 HD3 PRO A 13 2.763 9.716 0.947 1.00 0.00 H new ATOM 136 N ASP A 14 -1.612 8.859 3.986 1.00 0.00 N ATOM 137 CA ASP A 14 -2.962 8.323 4.121 1.00 0.00 C ATOM 138 C ASP A 14 -3.697 8.359 2.785 1.00 0.00 C ATOM 139 O ASP A 14 -3.421 9.205 1.934 1.00 0.00 O ATOM 140 CB ASP A 14 -3.745 9.116 5.169 1.00 0.00 C ATOM 141 CG ASP A 14 -4.143 10.493 4.676 1.00 0.00 C ATOM 142 OD1 ASP A 14 -5.239 10.621 4.091 1.00 0.00 O ATOM 143 OD2 ASP A 14 -3.358 11.444 4.875 1.00 0.00 O ATOM 0 H ASP A 14 -1.414 9.660 4.586 1.00 0.00 H new ATOM 0 HA ASP A 14 -2.884 7.285 4.444 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -4.641 8.560 5.446 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -3.140 9.217 6.070 1.00 0.00 H new ATOM 148 N LYS A 15 -4.634 7.434 2.606 1.00 0.00 N ATOM 149 CA LYS A 15 -5.410 7.358 1.374 1.00 0.00 C ATOM 150 C LYS A 15 -6.905 7.411 1.669 1.00 0.00 C ATOM 151 O LYS A 15 -7.432 6.579 2.406 1.00 0.00 O ATOM 152 CB LYS A 15 -5.075 6.072 0.614 1.00 0.00 C ATOM 153 CG LYS A 15 -3.713 6.100 -0.058 1.00 0.00 C ATOM 154 CD LYS A 15 -3.785 6.734 -1.437 1.00 0.00 C ATOM 155 CE LYS A 15 -2.400 7.067 -1.971 1.00 0.00 C ATOM 156 NZ LYS A 15 -2.462 7.704 -3.315 1.00 0.00 N ATOM 0 H LYS A 15 -4.874 6.726 3.300 1.00 0.00 H new ATOM 0 HA LYS A 15 -5.148 8.217 0.756 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -5.112 5.231 1.306 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -5.840 5.897 -0.142 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -3.011 6.656 0.563 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -3.327 5.084 -0.143 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -4.288 6.054 -2.125 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -4.386 7.642 -1.390 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -1.894 7.736 -1.275 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -1.804 6.156 -2.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -1.498 7.915 -3.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -2.922 7.056 -3.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -3.009 8.587 -3.256 1.00 0.00 H new ATOM 170 N GLU A 16 -7.584 8.395 1.086 1.00 0.00 N ATOM 171 CA GLU A 16 -9.019 8.556 1.287 1.00 0.00 C ATOM 172 C GLU A 16 -9.768 8.458 -0.039 1.00 0.00 C ATOM 173 O GLU A 16 -9.803 9.412 -0.817 1.00 0.00 O ATOM 174 CB GLU A 16 -9.316 9.900 1.955 1.00 0.00 C ATOM 175 CG GLU A 16 -10.579 9.893 2.801 1.00 0.00 C ATOM 176 CD GLU A 16 -10.555 10.945 3.893 1.00 0.00 C ATOM 177 OE1 GLU A 16 -9.623 10.915 4.724 1.00 0.00 O ATOM 178 OE2 GLU A 16 -11.467 11.798 3.916 1.00 0.00 O ATOM 0 H GLU A 16 -7.163 9.092 0.471 1.00 0.00 H new ATOM 0 HA GLU A 16 -9.361 7.752 1.938 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -8.470 10.179 2.583 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -9.408 10.666 1.185 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -11.443 10.061 2.158 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -10.704 8.909 3.252 1.00 0.00 H new ATOM 185 N LEU A 17 -10.366 7.299 -0.289 1.00 0.00 N ATOM 186 CA LEU A 17 -11.115 7.074 -1.521 1.00 0.00 C ATOM 187 C LEU A 17 -12.603 7.336 -1.309 1.00 0.00 C ATOM 188 O LEU A 17 -13.083 7.375 -0.176 1.00 0.00 O ATOM 189 CB LEU A 17 -10.903 5.643 -2.017 1.00 0.00 C ATOM 190 CG LEU A 17 -9.460 5.135 -2.002 1.00 0.00 C ATOM 191 CD1 LEU A 17 -9.430 3.618 -1.894 1.00 0.00 C ATOM 192 CD2 LEU A 17 -8.719 5.598 -3.248 1.00 0.00 C ATOM 0 H LEU A 17 -10.347 6.500 0.345 1.00 0.00 H new ATOM 0 HA LEU A 17 -10.746 7.771 -2.274 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -11.509 4.974 -1.406 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -11.281 5.573 -3.037 1.00 0.00 H new ATOM 0 HG LEU A 17 -8.957 5.551 -1.129 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -8.396 3.274 -1.885 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -9.923 3.309 -0.972 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -9.950 3.182 -2.747 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -7.694 5.228 -3.221 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -9.221 5.211 -4.135 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -8.710 6.687 -3.282 1.00 0.00 H new ATOM 204 N THR A 18 -13.330 7.511 -2.408 1.00 0.00 N ATOM 205 CA THR A 18 -14.763 7.767 -2.343 1.00 0.00 C ATOM 206 C THR A 18 -15.522 6.904 -3.345 1.00 0.00 C ATOM 207 O THR A 18 -15.448 7.127 -4.554 1.00 0.00 O ATOM 208 CB THR A 18 -15.082 9.249 -2.615 1.00 0.00 C ATOM 209 OG1 THR A 18 -14.321 10.084 -1.735 1.00 0.00 O ATOM 210 CG2 THR A 18 -16.566 9.527 -2.428 1.00 0.00 C ATOM 0 H THR A 18 -12.950 7.480 -3.354 1.00 0.00 H new ATOM 0 HA THR A 18 -15.083 7.513 -1.333 1.00 0.00 H new ATOM 0 HB THR A 18 -14.814 9.471 -3.648 1.00 0.00 H new ATOM 0 HG1 THR A 18 -14.529 11.025 -1.916 1.00 0.00 H new ATOM 0 HG21 THR A 18 -16.767 10.580 -2.626 1.00 0.00 H new ATOM 0 HG22 THR A 18 -17.141 8.912 -3.120 1.00 0.00 H new ATOM 0 HG23 THR A 18 -16.855 9.289 -1.404 1.00 0.00 H new ATOM 218 N LEU A 19 -16.252 5.918 -2.836 1.00 0.00 N ATOM 219 CA LEU A 19 -17.026 5.021 -3.687 1.00 0.00 C ATOM 220 C LEU A 19 -17.645 5.779 -4.856 1.00 0.00 C ATOM 221 O LEU A 19 -17.865 6.989 -4.798 1.00 0.00 O ATOM 222 CB LEU A 19 -18.123 4.334 -2.872 1.00 0.00 C ATOM 223 CG LEU A 19 -17.671 3.181 -1.975 1.00 0.00 C ATOM 224 CD1 LEU A 19 -18.843 2.636 -1.174 1.00 0.00 C ATOM 225 CD2 LEU A 19 -17.031 2.078 -2.805 1.00 0.00 C ATOM 0 H LEU A 19 -16.324 5.719 -1.838 1.00 0.00 H new ATOM 0 HA LEU A 19 -16.350 4.265 -4.086 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -18.608 5.085 -2.248 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -18.878 3.957 -3.562 1.00 0.00 H new ATOM 0 HG LEU A 19 -16.926 3.561 -1.276 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -18.502 1.816 -0.542 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -19.257 3.428 -0.550 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -19.612 2.273 -1.856 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -16.716 1.266 -2.150 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -17.754 1.701 -3.528 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -16.164 2.476 -3.333 1.00 0.00 H new ATOM 237 N PRO A 20 -17.936 5.052 -5.945 1.00 0.00 N ATOM 238 CA PRO A 20 -17.679 3.611 -6.027 1.00 0.00 C ATOM 239 C PRO A 20 -16.190 3.291 -6.091 1.00 0.00 C ATOM 240 O PRO A 20 -15.796 2.125 -6.137 1.00 0.00 O ATOM 241 CB PRO A 20 -18.371 3.201 -7.330 1.00 0.00 C ATOM 242 CG PRO A 20 -18.396 4.442 -8.153 1.00 0.00 C ATOM 243 CD PRO A 20 -18.538 5.581 -7.181 1.00 0.00 C ATOM 0 HA PRO A 20 -18.046 3.081 -5.148 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -17.825 2.403 -7.834 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -19.379 2.830 -7.143 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -17.482 4.540 -8.739 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -19.226 4.425 -8.859 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -18.020 6.474 -7.530 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -19.582 5.856 -7.034 1.00 0.00 H new ATOM 251 N VAL A 21 -15.364 4.333 -6.094 1.00 0.00 N ATOM 252 CA VAL A 21 -13.918 4.162 -6.150 1.00 0.00 C ATOM 253 C VAL A 21 -13.415 3.337 -4.971 1.00 0.00 C ATOM 254 O VAL A 21 -12.951 3.884 -3.970 1.00 0.00 O ATOM 255 CB VAL A 21 -13.192 5.521 -6.159 1.00 0.00 C ATOM 256 CG1 VAL A 21 -11.685 5.321 -6.217 1.00 0.00 C ATOM 257 CG2 VAL A 21 -13.671 6.373 -7.324 1.00 0.00 C ATOM 0 H VAL A 21 -15.673 5.305 -6.058 1.00 0.00 H new ATOM 0 HA VAL A 21 -13.698 3.634 -7.078 1.00 0.00 H new ATOM 0 HB VAL A 21 -13.429 6.046 -5.234 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -11.189 6.292 -6.223 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -11.360 4.752 -5.346 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -11.425 4.776 -7.124 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -13.148 7.329 -7.315 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -13.466 5.856 -8.261 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -14.743 6.545 -7.232 1.00 0.00 H new ATOM 267 N ASP A 22 -13.509 2.018 -5.097 1.00 0.00 N ATOM 268 CA ASP A 22 -13.063 1.116 -4.042 1.00 0.00 C ATOM 269 C ASP A 22 -11.787 0.388 -4.453 1.00 0.00 C ATOM 270 O ASP A 22 -11.561 -0.758 -4.065 1.00 0.00 O ATOM 271 CB ASP A 22 -14.159 0.102 -3.711 1.00 0.00 C ATOM 272 CG ASP A 22 -14.379 -0.898 -4.829 1.00 0.00 C ATOM 273 OD1 ASP A 22 -14.124 -0.544 -5.999 1.00 0.00 O ATOM 274 OD2 ASP A 22 -14.808 -2.034 -4.534 1.00 0.00 O ATOM 0 H ASP A 22 -13.890 1.550 -5.919 1.00 0.00 H new ATOM 0 HA ASP A 22 -12.850 1.712 -3.155 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -13.893 -0.431 -2.798 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -15.091 0.631 -3.512 1.00 0.00 H new ATOM 279 N SER A 23 -10.955 1.062 -5.241 1.00 0.00 N ATOM 280 CA SER A 23 -9.704 0.478 -5.710 1.00 0.00 C ATOM 281 C SER A 23 -8.611 1.538 -5.803 1.00 0.00 C ATOM 282 O SER A 23 -8.811 2.605 -6.386 1.00 0.00 O ATOM 283 CB SER A 23 -9.905 -0.185 -7.074 1.00 0.00 C ATOM 284 OG SER A 23 -10.440 0.732 -8.012 1.00 0.00 O ATOM 0 H SER A 23 -11.125 2.013 -5.568 1.00 0.00 H new ATOM 0 HA SER A 23 -9.392 -0.278 -4.989 1.00 0.00 H new ATOM 0 HB2 SER A 23 -8.953 -0.569 -7.439 1.00 0.00 H new ATOM 0 HB3 SER A 23 -10.575 -1.038 -6.972 1.00 0.00 H new ATOM 0 HG SER A 23 -10.083 1.627 -7.834 1.00 0.00 H new ATOM 290 N THR A 24 -7.452 1.238 -5.224 1.00 0.00 N ATOM 291 CA THR A 24 -6.327 2.164 -5.239 1.00 0.00 C ATOM 292 C THR A 24 -5.003 1.423 -5.093 1.00 0.00 C ATOM 293 O THR A 24 -4.940 0.358 -4.477 1.00 0.00 O ATOM 294 CB THR A 24 -6.444 3.209 -4.114 1.00 0.00 C ATOM 295 OG1 THR A 24 -5.470 4.242 -4.302 1.00 0.00 O ATOM 296 CG2 THR A 24 -6.248 2.562 -2.752 1.00 0.00 C ATOM 0 H THR A 24 -7.268 0.360 -4.739 1.00 0.00 H new ATOM 0 HA THR A 24 -6.351 2.674 -6.202 1.00 0.00 H new ATOM 0 HB THR A 24 -7.444 3.642 -4.152 1.00 0.00 H new ATOM 0 HG1 THR A 24 -5.552 4.904 -3.584 1.00 0.00 H new ATOM 0 HG21 THR A 24 -6.335 3.320 -1.973 1.00 0.00 H new ATOM 0 HG22 THR A 24 -7.009 1.796 -2.600 1.00 0.00 H new ATOM 0 HG23 THR A 24 -5.259 2.105 -2.705 1.00 0.00 H new ATOM 304 N THR A 25 -3.945 1.992 -5.663 1.00 0.00 N ATOM 305 CA THR A 25 -2.622 1.385 -5.597 1.00 0.00 C ATOM 306 C THR A 25 -1.695 2.185 -4.688 1.00 0.00 C ATOM 307 O THR A 25 -1.826 3.404 -4.569 1.00 0.00 O ATOM 308 CB THR A 25 -1.984 1.275 -6.994 1.00 0.00 C ATOM 309 OG1 THR A 25 -0.567 1.106 -6.873 1.00 0.00 O ATOM 310 CG2 THR A 25 -2.282 2.514 -7.824 1.00 0.00 C ATOM 0 H THR A 25 -3.979 2.873 -6.176 1.00 0.00 H new ATOM 0 HA THR A 25 -2.754 0.384 -5.187 1.00 0.00 H new ATOM 0 HB THR A 25 -2.412 0.408 -7.497 1.00 0.00 H new ATOM 0 HG1 THR A 25 -0.355 0.151 -6.822 1.00 0.00 H new ATOM 0 HG21 THR A 25 -1.821 2.413 -8.807 1.00 0.00 H new ATOM 0 HG22 THR A 25 -3.360 2.624 -7.939 1.00 0.00 H new ATOM 0 HG23 THR A 25 -1.878 3.394 -7.322 1.00 0.00 H new ATOM 318 N LEU A 26 -0.759 1.493 -4.050 1.00 0.00 N ATOM 319 CA LEU A 26 0.192 2.139 -3.152 1.00 0.00 C ATOM 320 C LEU A 26 1.566 2.254 -3.804 1.00 0.00 C ATOM 321 O LEU A 26 2.235 1.250 -4.046 1.00 0.00 O ATOM 322 CB LEU A 26 0.301 1.356 -1.842 1.00 0.00 C ATOM 323 CG LEU A 26 -1.021 1.011 -1.155 1.00 0.00 C ATOM 324 CD1 LEU A 26 -0.852 -0.198 -0.249 1.00 0.00 C ATOM 325 CD2 LEU A 26 -1.538 2.204 -0.364 1.00 0.00 C ATOM 0 H LEU A 26 -0.638 0.484 -4.137 1.00 0.00 H new ATOM 0 HA LEU A 26 -0.174 3.143 -2.939 1.00 0.00 H new ATOM 0 HB2 LEU A 26 0.838 0.428 -2.040 1.00 0.00 H new ATOM 0 HB3 LEU A 26 0.909 1.934 -1.146 1.00 0.00 H new ATOM 0 HG LEU A 26 -1.754 0.764 -1.923 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -1.803 -0.429 0.231 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -0.528 -1.054 -0.841 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -0.104 0.020 0.513 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -2.479 1.941 0.118 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -0.807 2.482 0.395 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -1.699 3.045 -1.038 1.00 0.00 H new ATOM 337 N ASP A 27 1.981 3.485 -4.085 1.00 0.00 N ATOM 338 CA ASP A 27 3.277 3.732 -4.706 1.00 0.00 C ATOM 339 C ASP A 27 4.392 3.702 -3.666 1.00 0.00 C ATOM 340 O ASP A 27 4.599 4.670 -2.935 1.00 0.00 O ATOM 341 CB ASP A 27 3.271 5.080 -5.429 1.00 0.00 C ATOM 342 CG ASP A 27 3.116 6.247 -4.474 1.00 0.00 C ATOM 343 OD1 ASP A 27 2.019 6.400 -3.898 1.00 0.00 O ATOM 344 OD2 ASP A 27 4.091 7.009 -4.304 1.00 0.00 O ATOM 0 H ASP A 27 1.438 4.327 -3.892 1.00 0.00 H new ATOM 0 HA ASP A 27 3.462 2.941 -5.432 1.00 0.00 H new ATOM 0 HB2 ASP A 27 4.199 5.193 -5.989 1.00 0.00 H new ATOM 0 HB3 ASP A 27 2.457 5.097 -6.154 1.00 0.00 H new ATOM 349 N GLY A 28 5.109 2.584 -3.606 1.00 0.00 N ATOM 350 CA GLY A 28 6.194 2.449 -2.651 1.00 0.00 C ATOM 351 C GLY A 28 7.556 2.624 -3.293 1.00 0.00 C ATOM 352 O GLY A 28 8.557 2.113 -2.791 1.00 0.00 O ATOM 0 H GLY A 28 4.958 1.770 -4.201 1.00 0.00 H new ATOM 0 HA2 GLY A 28 6.071 3.188 -1.859 1.00 0.00 H new ATOM 0 HA3 GLY A 28 6.141 1.467 -2.181 1.00 0.00 H new ATOM 493 N ILE A 38 16.013 -4.649 -3.661 1.00 0.00 N ATOM 494 CA ILE A 38 15.789 -5.817 -4.504 1.00 0.00 C ATOM 495 C ILE A 38 14.697 -6.711 -3.926 1.00 0.00 C ATOM 496 O ILE A 38 14.695 -7.923 -4.140 1.00 0.00 O ATOM 497 CB ILE A 38 17.077 -6.644 -4.674 1.00 0.00 C ATOM 498 CG1 ILE A 38 17.724 -6.905 -3.312 1.00 0.00 C ATOM 499 CG2 ILE A 38 18.049 -5.927 -5.599 1.00 0.00 C ATOM 500 CD1 ILE A 38 18.515 -8.193 -3.256 1.00 0.00 C ATOM 0 HA ILE A 38 15.474 -5.446 -5.479 1.00 0.00 H new ATOM 0 HB ILE A 38 16.819 -7.603 -5.123 1.00 0.00 H new ATOM 0 HG12 ILE A 38 18.383 -6.072 -3.066 1.00 0.00 H new ATOM 0 HG13 ILE A 38 16.946 -6.932 -2.549 1.00 0.00 H new ATOM 0 HG21 ILE A 38 18.954 -6.524 -5.709 1.00 0.00 H new ATOM 0 HG22 ILE A 38 17.586 -5.787 -6.576 1.00 0.00 H new ATOM 0 HG23 ILE A 38 18.304 -4.955 -5.176 1.00 0.00 H new ATOM 0 HD11 ILE A 38 18.945 -8.313 -2.262 1.00 0.00 H new ATOM 0 HD12 ILE A 38 17.856 -9.034 -3.470 1.00 0.00 H new ATOM 0 HD13 ILE A 38 19.315 -8.161 -3.996 1.00 0.00 H new ATOM 512 N SER A 39 13.768 -6.103 -3.195 1.00 0.00 N ATOM 513 CA SER A 39 12.670 -6.844 -2.585 1.00 0.00 C ATOM 514 C SER A 39 11.504 -5.917 -2.258 1.00 0.00 C ATOM 515 O SER A 39 11.695 -4.828 -1.716 1.00 0.00 O ATOM 516 CB SER A 39 13.147 -7.549 -1.313 1.00 0.00 C ATOM 517 OG SER A 39 13.676 -6.620 -0.383 1.00 0.00 O ATOM 0 H SER A 39 13.754 -5.100 -3.011 1.00 0.00 H new ATOM 0 HA SER A 39 12.328 -7.592 -3.301 1.00 0.00 H new ATOM 0 HB2 SER A 39 12.316 -8.089 -0.859 1.00 0.00 H new ATOM 0 HB3 SER A 39 13.907 -8.288 -1.566 1.00 0.00 H new ATOM 0 HG SER A 39 14.626 -6.473 -0.572 1.00 0.00 H new ATOM 523 N TYR A 40 10.296 -6.356 -2.593 1.00 0.00 N ATOM 524 CA TYR A 40 9.097 -5.565 -2.338 1.00 0.00 C ATOM 525 C TYR A 40 7.907 -6.466 -2.022 1.00 0.00 C ATOM 526 O TYR A 40 7.581 -7.375 -2.787 1.00 0.00 O ATOM 527 CB TYR A 40 8.777 -4.682 -3.546 1.00 0.00 C ATOM 528 CG TYR A 40 9.746 -3.536 -3.732 1.00 0.00 C ATOM 529 CD1 TYR A 40 9.767 -2.468 -2.843 1.00 0.00 C ATOM 530 CD2 TYR A 40 10.638 -3.521 -4.796 1.00 0.00 C ATOM 531 CE1 TYR A 40 10.650 -1.418 -3.010 1.00 0.00 C ATOM 532 CE2 TYR A 40 11.525 -2.476 -4.969 1.00 0.00 C ATOM 533 CZ TYR A 40 11.527 -1.427 -4.074 1.00 0.00 C ATOM 534 OH TYR A 40 12.408 -0.384 -4.244 1.00 0.00 O ATOM 0 H TYR A 40 10.121 -7.255 -3.042 1.00 0.00 H new ATOM 0 HA TYR A 40 9.288 -4.930 -1.473 1.00 0.00 H new ATOM 0 HB2 TYR A 40 8.778 -5.297 -4.446 1.00 0.00 H new ATOM 0 HB3 TYR A 40 7.770 -4.281 -3.435 1.00 0.00 H new ATOM 0 HD1 TYR A 40 9.082 -2.458 -2.008 1.00 0.00 H new ATOM 0 HD2 TYR A 40 10.638 -4.340 -5.500 1.00 0.00 H new ATOM 0 HE1 TYR A 40 10.653 -0.595 -2.311 1.00 0.00 H new ATOM 0 HE2 TYR A 40 12.213 -2.481 -5.801 1.00 0.00 H new ATOM 0 HH TYR A 40 12.956 -0.545 -5.040 1.00 0.00 H new ATOM 544 N LEU A 41 7.261 -6.205 -0.891 1.00 0.00 N ATOM 545 CA LEU A 41 6.105 -6.991 -0.473 1.00 0.00 C ATOM 546 C LEU A 41 4.962 -6.084 -0.028 1.00 0.00 C ATOM 547 O LEU A 41 5.187 -5.041 0.586 1.00 0.00 O ATOM 548 CB LEU A 41 6.492 -7.938 0.665 1.00 0.00 C ATOM 549 CG LEU A 41 5.380 -8.846 1.190 1.00 0.00 C ATOM 550 CD1 LEU A 41 4.912 -9.801 0.103 1.00 0.00 C ATOM 551 CD2 LEU A 41 5.854 -9.617 2.413 1.00 0.00 C ATOM 0 H LEU A 41 7.517 -5.456 -0.248 1.00 0.00 H new ATOM 0 HA LEU A 41 5.767 -7.578 -1.327 1.00 0.00 H new ATOM 0 HB2 LEU A 41 7.316 -8.566 0.324 1.00 0.00 H new ATOM 0 HB3 LEU A 41 6.869 -7.341 1.496 1.00 0.00 H new ATOM 0 HG LEU A 41 4.536 -8.222 1.484 1.00 0.00 H new ATOM 0 HD11 LEU A 41 4.120 -10.439 0.496 1.00 0.00 H new ATOM 0 HD12 LEU A 41 4.531 -9.230 -0.744 1.00 0.00 H new ATOM 0 HD13 LEU A 41 5.748 -10.419 -0.223 1.00 0.00 H new ATOM 0 HD21 LEU A 41 5.050 -10.258 2.773 1.00 0.00 H new ATOM 0 HD22 LEU A 41 6.715 -10.230 2.146 1.00 0.00 H new ATOM 0 HD23 LEU A 41 6.138 -8.916 3.198 1.00 0.00 H new ATOM 563 N TRP A 42 3.737 -6.489 -0.341 1.00 0.00 N ATOM 564 CA TRP A 42 2.558 -5.714 0.028 1.00 0.00 C ATOM 565 C TRP A 42 1.482 -6.611 0.628 1.00 0.00 C ATOM 566 O TRP A 42 0.944 -7.487 -0.048 1.00 0.00 O ATOM 567 CB TRP A 42 2.003 -4.977 -1.192 1.00 0.00 C ATOM 568 CG TRP A 42 2.750 -3.719 -1.517 1.00 0.00 C ATOM 569 CD1 TRP A 42 3.690 -3.552 -2.493 1.00 0.00 C ATOM 570 CD2 TRP A 42 2.619 -2.452 -0.863 1.00 0.00 C ATOM 571 NE1 TRP A 42 4.152 -2.258 -2.485 1.00 0.00 N ATOM 572 CE2 TRP A 42 3.510 -1.563 -1.495 1.00 0.00 C ATOM 573 CE3 TRP A 42 1.834 -1.982 0.194 1.00 0.00 C ATOM 574 CZ2 TRP A 42 3.637 -0.233 -1.103 1.00 0.00 C ATOM 575 CZ3 TRP A 42 1.962 -0.662 0.582 1.00 0.00 C ATOM 576 CH2 TRP A 42 2.857 0.200 -0.065 1.00 0.00 C ATOM 0 H TRP A 42 3.534 -7.350 -0.849 1.00 0.00 H new ATOM 0 HA TRP A 42 2.856 -4.983 0.780 1.00 0.00 H new ATOM 0 HB2 TRP A 42 2.034 -5.643 -2.055 1.00 0.00 H new ATOM 0 HB3 TRP A 42 0.955 -4.733 -1.015 1.00 0.00 H new ATOM 0 HD1 TRP A 42 4.022 -4.324 -3.172 1.00 0.00 H new ATOM 0 HE1 TRP A 42 4.858 -1.877 -3.114 1.00 0.00 H new ATOM 0 HE3 TRP A 42 1.140 -2.639 0.698 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 4.326 0.433 -1.600 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 1.362 -0.288 1.398 1.00 0.00 H new ATOM 0 HH2 TRP A 42 2.933 1.227 0.262 1.00 0.00 H new ATOM 587 N GLU A 43 1.173 -6.388 1.902 1.00 0.00 N ATOM 588 CA GLU A 43 0.160 -7.179 2.592 1.00 0.00 C ATOM 589 C GLU A 43 -0.688 -6.299 3.506 1.00 0.00 C ATOM 590 O GLU A 43 -0.219 -5.282 4.018 1.00 0.00 O ATOM 591 CB GLU A 43 0.820 -8.293 3.407 1.00 0.00 C ATOM 592 CG GLU A 43 1.759 -9.168 2.593 1.00 0.00 C ATOM 593 CD GLU A 43 2.504 -10.176 3.447 1.00 0.00 C ATOM 594 OE1 GLU A 43 2.895 -9.822 4.579 1.00 0.00 O ATOM 595 OE2 GLU A 43 2.695 -11.319 2.982 1.00 0.00 O ATOM 0 H GLU A 43 1.609 -5.667 2.477 1.00 0.00 H new ATOM 0 HA GLU A 43 -0.491 -7.625 1.840 1.00 0.00 H new ATOM 0 HB2 GLU A 43 1.376 -7.848 4.232 1.00 0.00 H new ATOM 0 HB3 GLU A 43 0.043 -8.919 3.847 1.00 0.00 H new ATOM 0 HG2 GLU A 43 1.187 -9.696 1.830 1.00 0.00 H new ATOM 0 HG3 GLU A 43 2.479 -8.536 2.072 1.00 0.00 H new ATOM 602 N LYS A 44 -1.939 -6.697 3.707 1.00 0.00 N ATOM 603 CA LYS A 44 -2.854 -5.947 4.559 1.00 0.00 C ATOM 604 C LYS A 44 -2.733 -6.393 6.012 1.00 0.00 C ATOM 605 O LYS A 44 -3.095 -7.518 6.361 1.00 0.00 O ATOM 606 CB LYS A 44 -4.296 -6.128 4.078 1.00 0.00 C ATOM 607 CG LYS A 44 -5.322 -5.434 4.957 1.00 0.00 C ATOM 608 CD LYS A 44 -6.715 -5.512 4.355 1.00 0.00 C ATOM 609 CE LYS A 44 -7.188 -6.952 4.231 1.00 0.00 C ATOM 610 NZ LYS A 44 -6.679 -7.598 2.989 1.00 0.00 N ATOM 0 H LYS A 44 -2.343 -7.536 3.291 1.00 0.00 H new ATOM 0 HA LYS A 44 -2.586 -4.892 4.497 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -4.382 -5.744 3.061 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -4.526 -7.193 4.037 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -5.326 -5.893 5.946 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -5.041 -4.390 5.091 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -7.413 -4.951 4.976 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -6.714 -5.042 3.372 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -6.854 -7.520 5.099 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -8.278 -6.978 4.233 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -7.465 -8.064 2.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -6.258 -6.876 2.370 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -5.958 -8.306 3.236 1.00 0.00 H new ATOM 624 N THR A 45 -2.222 -5.504 6.859 1.00 0.00 N ATOM 625 CA THR A 45 -2.053 -5.806 8.275 1.00 0.00 C ATOM 626 C THR A 45 -3.395 -5.823 8.997 1.00 0.00 C ATOM 627 O THR A 45 -3.718 -6.777 9.704 1.00 0.00 O ATOM 628 CB THR A 45 -1.126 -4.785 8.960 1.00 0.00 C ATOM 629 OG1 THR A 45 -1.251 -3.507 8.326 1.00 0.00 O ATOM 630 CG2 THR A 45 0.323 -5.245 8.903 1.00 0.00 C ATOM 0 H THR A 45 -1.918 -4.569 6.588 1.00 0.00 H new ATOM 0 HA THR A 45 -1.599 -6.795 8.336 1.00 0.00 H new ATOM 0 HB THR A 45 -1.423 -4.702 10.005 1.00 0.00 H new ATOM 0 HG1 THR A 45 -2.138 -3.431 7.916 1.00 0.00 H new ATOM 0 HG21 THR A 45 0.958 -4.507 9.393 1.00 0.00 H new ATOM 0 HG22 THR A 45 0.421 -6.204 9.412 1.00 0.00 H new ATOM 0 HG23 THR A 45 0.630 -5.354 7.863 1.00 0.00 H new ATOM 638 N GLN A 46 -4.174 -4.761 8.814 1.00 0.00 N ATOM 639 CA GLN A 46 -5.482 -4.654 9.449 1.00 0.00 C ATOM 640 C GLN A 46 -6.568 -4.377 8.416 1.00 0.00 C ATOM 641 O GLN A 46 -6.293 -4.288 7.220 1.00 0.00 O ATOM 642 CB GLN A 46 -5.471 -3.547 10.505 1.00 0.00 C ATOM 643 CG GLN A 46 -5.079 -4.032 11.891 1.00 0.00 C ATOM 644 CD GLN A 46 -4.697 -2.896 12.820 1.00 0.00 C ATOM 645 OE1 GLN A 46 -5.556 -2.272 13.443 1.00 0.00 O ATOM 646 NE2 GLN A 46 -3.401 -2.621 12.918 1.00 0.00 N ATOM 0 H GLN A 46 -3.922 -3.963 8.231 1.00 0.00 H new ATOM 0 HA GLN A 46 -5.701 -5.606 9.933 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -4.778 -2.766 10.193 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -6.461 -3.094 10.554 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -5.910 -4.588 12.326 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -4.241 -4.724 11.806 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -2.723 -3.164 12.383 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -3.084 -1.867 13.528 1.00 0.00 H new ATOM 655 N GLY A 47 -7.805 -4.242 8.885 1.00 0.00 N ATOM 656 CA GLY A 47 -8.914 -3.977 7.988 1.00 0.00 C ATOM 657 C GLY A 47 -9.702 -5.228 7.655 1.00 0.00 C ATOM 658 O GLY A 47 -9.284 -6.348 7.951 1.00 0.00 O ATOM 0 H GLY A 47 -8.058 -4.312 9.871 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -9.579 -3.243 8.444 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -8.535 -3.534 7.067 1.00 0.00 H new ATOM 662 N PRO A 48 -10.872 -5.045 7.025 1.00 0.00 N ATOM 663 CA PRO A 48 -11.745 -6.158 6.639 1.00 0.00 C ATOM 664 C PRO A 48 -11.155 -6.993 5.508 1.00 0.00 C ATOM 665 O PRO A 48 -11.053 -6.531 4.371 1.00 0.00 O ATOM 666 CB PRO A 48 -13.026 -5.459 6.175 1.00 0.00 C ATOM 667 CG PRO A 48 -12.583 -4.103 5.744 1.00 0.00 C ATOM 668 CD PRO A 48 -11.432 -3.739 6.641 1.00 0.00 C ATOM 0 HA PRO A 48 -11.898 -6.859 7.459 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -13.498 -6.001 5.355 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -13.758 -5.399 6.980 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -12.277 -4.107 4.698 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -13.393 -3.380 5.836 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -10.697 -3.124 6.122 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -11.764 -3.173 7.511 1.00 0.00 H new ATOM 676 N ASP A 49 -10.768 -8.223 5.827 1.00 0.00 N ATOM 677 CA ASP A 49 -10.189 -9.123 4.836 1.00 0.00 C ATOM 678 C ASP A 49 -11.125 -9.293 3.643 1.00 0.00 C ATOM 679 O ASP A 49 -12.339 -9.142 3.768 1.00 0.00 O ATOM 680 CB ASP A 49 -9.893 -10.485 5.466 1.00 0.00 C ATOM 681 CG ASP A 49 -8.960 -10.383 6.656 1.00 0.00 C ATOM 682 OD1 ASP A 49 -7.733 -10.293 6.441 1.00 0.00 O ATOM 683 OD2 ASP A 49 -9.456 -10.392 7.802 1.00 0.00 O ATOM 0 H ASP A 49 -10.845 -8.620 6.764 1.00 0.00 H new ATOM 0 HA ASP A 49 -9.256 -8.684 4.483 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -10.829 -10.947 5.780 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -9.450 -11.140 4.716 1.00 0.00 H new ATOM 688 N GLY A 50 -10.549 -9.606 2.486 1.00 0.00 N ATOM 689 CA GLY A 50 -11.346 -9.790 1.287 1.00 0.00 C ATOM 690 C GLY A 50 -10.714 -9.150 0.067 1.00 0.00 C ATOM 691 O GLY A 50 -10.598 -9.781 -0.984 1.00 0.00 O ATOM 0 H GLY A 50 -9.545 -9.735 2.358 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -11.482 -10.856 1.105 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -12.337 -9.365 1.444 1.00 0.00 H new ATOM 695 N VAL A 51 -10.305 -7.893 0.205 1.00 0.00 N ATOM 696 CA VAL A 51 -9.681 -7.167 -0.895 1.00 0.00 C ATOM 697 C VAL A 51 -8.709 -8.058 -1.660 1.00 0.00 C ATOM 698 O VAL A 51 -8.297 -9.109 -1.169 1.00 0.00 O ATOM 699 CB VAL A 51 -8.930 -5.921 -0.390 1.00 0.00 C ATOM 700 CG1 VAL A 51 -9.894 -4.943 0.263 1.00 0.00 C ATOM 701 CG2 VAL A 51 -7.826 -6.320 0.577 1.00 0.00 C ATOM 0 H VAL A 51 -10.394 -7.356 1.068 1.00 0.00 H new ATOM 0 HA VAL A 51 -10.483 -6.853 -1.563 1.00 0.00 H new ATOM 0 HB VAL A 51 -8.471 -5.424 -1.245 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -9.344 -4.069 0.613 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -10.645 -4.632 -0.464 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -10.385 -5.426 1.108 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -7.306 -5.427 0.924 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -8.260 -6.841 1.430 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -7.119 -6.978 0.071 1.00 0.00 H new ATOM 711 N GLN A 52 -8.346 -7.630 -2.865 1.00 0.00 N ATOM 712 CA GLN A 52 -7.422 -8.390 -3.699 1.00 0.00 C ATOM 713 C GLN A 52 -6.210 -7.546 -4.077 1.00 0.00 C ATOM 714 O GLN A 52 -6.337 -6.532 -4.766 1.00 0.00 O ATOM 715 CB GLN A 52 -8.130 -8.883 -4.962 1.00 0.00 C ATOM 716 CG GLN A 52 -8.816 -10.228 -4.789 1.00 0.00 C ATOM 717 CD GLN A 52 -10.244 -10.096 -4.297 1.00 0.00 C ATOM 718 OE1 GLN A 52 -10.600 -10.623 -3.242 1.00 0.00 O ATOM 719 NE2 GLN A 52 -11.070 -9.388 -5.058 1.00 0.00 N ATOM 0 H GLN A 52 -8.677 -6.762 -3.285 1.00 0.00 H new ATOM 0 HA GLN A 52 -7.077 -9.250 -3.125 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -8.871 -8.143 -5.266 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -7.403 -8.957 -5.771 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -8.811 -10.759 -5.741 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -8.247 -10.834 -4.083 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -10.732 -8.969 -5.924 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -12.042 -9.263 -4.776 1.00 0.00 H new ATOM 728 N LEU A 53 -5.036 -7.968 -3.623 1.00 0.00 N ATOM 729 CA LEU A 53 -3.799 -7.251 -3.913 1.00 0.00 C ATOM 730 C LEU A 53 -3.133 -7.800 -5.171 1.00 0.00 C ATOM 731 O LEU A 53 -2.926 -9.007 -5.298 1.00 0.00 O ATOM 732 CB LEU A 53 -2.838 -7.350 -2.728 1.00 0.00 C ATOM 733 CG LEU A 53 -2.938 -6.235 -1.686 1.00 0.00 C ATOM 734 CD1 LEU A 53 -2.578 -6.760 -0.306 1.00 0.00 C ATOM 735 CD2 LEU A 53 -2.040 -5.068 -2.067 1.00 0.00 C ATOM 0 H LEU A 53 -4.914 -8.804 -3.052 1.00 0.00 H new ATOM 0 HA LEU A 53 -4.047 -6.203 -4.084 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -3.007 -8.303 -2.228 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -1.819 -7.369 -3.114 1.00 0.00 H new ATOM 0 HG LEU A 53 -3.968 -5.880 -1.659 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -2.655 -5.952 0.422 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -3.263 -7.562 -0.032 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -1.557 -7.143 -0.317 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -2.124 -4.284 -1.315 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -1.006 -5.408 -2.123 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -2.346 -4.675 -3.036 1.00 0.00 H new ATOM 747 N GLU A 54 -2.798 -6.906 -6.096 1.00 0.00 N ATOM 748 CA GLU A 54 -2.154 -7.303 -7.342 1.00 0.00 C ATOM 749 C GLU A 54 -0.703 -6.829 -7.380 1.00 0.00 C ATOM 750 O GLU A 54 -0.390 -5.721 -6.947 1.00 0.00 O ATOM 751 CB GLU A 54 -2.918 -6.736 -8.540 1.00 0.00 C ATOM 752 CG GLU A 54 -4.109 -7.581 -8.958 1.00 0.00 C ATOM 753 CD GLU A 54 -5.208 -6.761 -9.605 1.00 0.00 C ATOM 754 OE1 GLU A 54 -5.133 -6.528 -10.830 1.00 0.00 O ATOM 755 OE2 GLU A 54 -6.145 -6.352 -8.887 1.00 0.00 O ATOM 0 H GLU A 54 -2.962 -5.903 -6.006 1.00 0.00 H new ATOM 0 HA GLU A 54 -2.164 -8.392 -7.395 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -3.264 -5.731 -8.297 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -2.235 -6.643 -9.384 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -3.777 -8.351 -9.655 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -4.510 -8.094 -8.084 1.00 0.00 H new ATOM 762 N ASN A 55 0.177 -7.678 -7.900 1.00 0.00 N ATOM 763 CA ASN A 55 1.594 -7.348 -7.994 1.00 0.00 C ATOM 764 C ASN A 55 2.147 -6.932 -6.634 1.00 0.00 C ATOM 765 O ASN A 55 3.079 -6.133 -6.549 1.00 0.00 O ATOM 766 CB ASN A 55 1.812 -6.225 -9.010 1.00 0.00 C ATOM 767 CG ASN A 55 1.975 -6.748 -10.424 1.00 0.00 C ATOM 768 OD1 ASN A 55 2.821 -7.602 -10.688 1.00 0.00 O ATOM 769 ND2 ASN A 55 1.163 -6.236 -11.342 1.00 0.00 N ATOM 0 H ASN A 55 -0.066 -8.600 -8.263 1.00 0.00 H new ATOM 0 HA ASN A 55 2.127 -8.239 -8.327 1.00 0.00 H new ATOM 0 HB2 ASN A 55 0.967 -5.538 -8.975 1.00 0.00 H new ATOM 0 HB3 ASN A 55 2.698 -5.654 -8.732 1.00 0.00 H new ATOM 0 HD21 ASN A 55 1.226 -6.549 -12.311 1.00 0.00 H new ATOM 0 HD22 ASN A 55 0.476 -5.530 -11.078 1.00 0.00 H new ATOM 776 N ALA A 56 1.565 -7.481 -5.572 1.00 0.00 N ATOM 777 CA ALA A 56 2.001 -7.169 -4.216 1.00 0.00 C ATOM 778 C ALA A 56 3.517 -7.267 -4.091 1.00 0.00 C ATOM 779 O ALA A 56 4.114 -6.674 -3.194 1.00 0.00 O ATOM 780 CB ALA A 56 1.325 -8.099 -3.219 1.00 0.00 C ATOM 0 H ALA A 56 0.791 -8.143 -5.625 1.00 0.00 H new ATOM 0 HA ALA A 56 1.711 -6.142 -3.993 1.00 0.00 H new ATOM 0 HB1 ALA A 56 1.659 -7.856 -2.210 1.00 0.00 H new ATOM 0 HB2 ALA A 56 0.244 -7.977 -3.283 1.00 0.00 H new ATOM 0 HB3 ALA A 56 1.587 -9.132 -3.449 1.00 0.00 H new ATOM 786 N ASN A 57 4.134 -8.021 -4.995 1.00 0.00 N ATOM 787 CA ASN A 57 5.582 -8.197 -4.984 1.00 0.00 C ATOM 788 C ASN A 57 6.275 -7.049 -5.712 1.00 0.00 C ATOM 789 O ASN A 57 7.383 -7.205 -6.225 1.00 0.00 O ATOM 790 CB ASN A 57 5.959 -9.529 -5.635 1.00 0.00 C ATOM 791 CG ASN A 57 7.397 -9.921 -5.357 1.00 0.00 C ATOM 792 OD1 ASN A 57 8.283 -9.702 -6.184 1.00 0.00 O ATOM 793 ND2 ASN A 57 7.636 -10.506 -4.189 1.00 0.00 N ATOM 0 H ASN A 57 3.654 -8.520 -5.744 1.00 0.00 H new ATOM 0 HA ASN A 57 5.915 -8.200 -3.946 1.00 0.00 H new ATOM 0 HB2 ASN A 57 5.294 -10.311 -5.268 1.00 0.00 H new ATOM 0 HB3 ASN A 57 5.806 -9.460 -6.712 1.00 0.00 H new ATOM 0 HD21 ASN A 57 8.584 -10.793 -3.947 1.00 0.00 H new ATOM 0 HD22 ASN A 57 6.871 -10.668 -3.534 1.00 0.00 H new ATOM 800 N SER A 58 5.615 -5.896 -5.751 1.00 0.00 N ATOM 801 CA SER A 58 6.166 -4.722 -6.418 1.00 0.00 C ATOM 802 C SER A 58 5.777 -3.445 -5.680 1.00 0.00 C ATOM 803 O SER A 58 4.647 -3.305 -5.211 1.00 0.00 O ATOM 804 CB SER A 58 5.678 -4.656 -7.866 1.00 0.00 C ATOM 805 OG SER A 58 6.499 -5.437 -8.717 1.00 0.00 O ATOM 0 H SER A 58 4.698 -5.750 -5.329 1.00 0.00 H new ATOM 0 HA SER A 58 7.253 -4.808 -6.412 1.00 0.00 H new ATOM 0 HB2 SER A 58 4.649 -5.011 -7.923 1.00 0.00 H new ATOM 0 HB3 SER A 58 5.678 -3.620 -8.206 1.00 0.00 H new ATOM 0 HG SER A 58 6.948 -6.131 -8.191 1.00 0.00 H new ATOM 811 N SER A 59 6.721 -2.515 -5.580 1.00 0.00 N ATOM 812 CA SER A 59 6.480 -1.250 -4.896 1.00 0.00 C ATOM 813 C SER A 59 5.066 -0.746 -5.169 1.00 0.00 C ATOM 814 O SER A 59 4.453 -0.093 -4.324 1.00 0.00 O ATOM 815 CB SER A 59 7.501 -0.202 -5.340 1.00 0.00 C ATOM 816 OG SER A 59 7.336 0.123 -6.710 1.00 0.00 O ATOM 0 H SER A 59 7.661 -2.614 -5.964 1.00 0.00 H new ATOM 0 HA SER A 59 6.587 -1.419 -3.825 1.00 0.00 H new ATOM 0 HB2 SER A 59 7.391 0.697 -4.734 1.00 0.00 H new ATOM 0 HB3 SER A 59 8.510 -0.578 -5.171 1.00 0.00 H new ATOM 0 HG SER A 59 8.000 0.796 -6.969 1.00 0.00 H new ATOM 822 N VAL A 60 4.553 -1.055 -6.356 1.00 0.00 N ATOM 823 CA VAL A 60 3.211 -0.635 -6.741 1.00 0.00 C ATOM 824 C VAL A 60 2.230 -1.799 -6.673 1.00 0.00 C ATOM 825 O VAL A 60 2.232 -2.677 -7.535 1.00 0.00 O ATOM 826 CB VAL A 60 3.195 -0.047 -8.165 1.00 0.00 C ATOM 827 CG1 VAL A 60 1.796 0.427 -8.531 1.00 0.00 C ATOM 828 CG2 VAL A 60 4.199 1.090 -8.283 1.00 0.00 C ATOM 0 H VAL A 60 5.046 -1.595 -7.067 1.00 0.00 H new ATOM 0 HA VAL A 60 2.905 0.136 -6.033 1.00 0.00 H new ATOM 0 HB VAL A 60 3.483 -0.830 -8.866 1.00 0.00 H new ATOM 0 HG11 VAL A 60 1.804 0.839 -9.540 1.00 0.00 H new ATOM 0 HG12 VAL A 60 1.104 -0.414 -8.488 1.00 0.00 H new ATOM 0 HG13 VAL A 60 1.477 1.196 -7.827 1.00 0.00 H new ATOM 0 HG21 VAL A 60 4.174 1.494 -9.295 1.00 0.00 H new ATOM 0 HG22 VAL A 60 3.944 1.876 -7.573 1.00 0.00 H new ATOM 0 HG23 VAL A 60 5.200 0.716 -8.066 1.00 0.00 H new ATOM 838 N ALA A 61 1.392 -1.800 -5.642 1.00 0.00 N ATOM 839 CA ALA A 61 0.403 -2.856 -5.462 1.00 0.00 C ATOM 840 C ALA A 61 -1.014 -2.313 -5.616 1.00 0.00 C ATOM 841 O ALA A 61 -1.405 -1.365 -4.934 1.00 0.00 O ATOM 842 CB ALA A 61 0.573 -3.511 -4.099 1.00 0.00 C ATOM 0 H ALA A 61 1.378 -1.081 -4.918 1.00 0.00 H new ATOM 0 HA ALA A 61 0.563 -3.606 -6.237 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -0.172 -4.298 -3.978 1.00 0.00 H new ATOM 0 HB2 ALA A 61 1.571 -3.942 -4.024 1.00 0.00 H new ATOM 0 HB3 ALA A 61 0.441 -2.763 -3.317 1.00 0.00 H new ATOM 848 N THR A 62 -1.779 -2.918 -6.519 1.00 0.00 N ATOM 849 CA THR A 62 -3.152 -2.495 -6.765 1.00 0.00 C ATOM 850 C THR A 62 -4.135 -3.299 -5.922 1.00 0.00 C ATOM 851 O THR A 62 -4.162 -4.528 -5.985 1.00 0.00 O ATOM 852 CB THR A 62 -3.528 -2.642 -8.251 1.00 0.00 C ATOM 853 OG1 THR A 62 -2.624 -1.882 -9.062 1.00 0.00 O ATOM 854 CG2 THR A 62 -4.954 -2.174 -8.498 1.00 0.00 C ATOM 0 H THR A 62 -1.471 -3.703 -7.093 1.00 0.00 H new ATOM 0 HA THR A 62 -3.213 -1.443 -6.485 1.00 0.00 H new ATOM 0 HB THR A 62 -3.458 -3.696 -8.518 1.00 0.00 H new ATOM 0 HG1 THR A 62 -2.868 -1.982 -10.006 1.00 0.00 H new ATOM 0 HG21 THR A 62 -5.196 -2.288 -9.555 1.00 0.00 H new ATOM 0 HG22 THR A 62 -5.642 -2.773 -7.901 1.00 0.00 H new ATOM 0 HG23 THR A 62 -5.047 -1.125 -8.215 1.00 0.00 H new ATOM 862 N VAL A 63 -4.942 -2.598 -5.132 1.00 0.00 N ATOM 863 CA VAL A 63 -5.929 -3.247 -4.277 1.00 0.00 C ATOM 864 C VAL A 63 -7.348 -2.905 -4.718 1.00 0.00 C ATOM 865 O VAL A 63 -7.732 -1.736 -4.762 1.00 0.00 O ATOM 866 CB VAL A 63 -5.749 -2.840 -2.803 1.00 0.00 C ATOM 867 CG1 VAL A 63 -6.880 -3.398 -1.953 1.00 0.00 C ATOM 868 CG2 VAL A 63 -4.399 -3.309 -2.282 1.00 0.00 C ATOM 0 H VAL A 63 -4.932 -1.580 -5.066 1.00 0.00 H new ATOM 0 HA VAL A 63 -5.772 -4.321 -4.371 1.00 0.00 H new ATOM 0 HB VAL A 63 -5.780 -1.752 -2.738 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -6.736 -3.100 -0.914 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -7.832 -3.009 -2.313 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -6.884 -4.486 -2.021 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -4.289 -3.013 -1.239 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -4.336 -4.394 -2.360 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -3.603 -2.856 -2.874 1.00 0.00 H new ATOM 878 N THR A 64 -8.125 -3.933 -5.043 1.00 0.00 N ATOM 879 CA THR A 64 -9.502 -3.743 -5.481 1.00 0.00 C ATOM 880 C THR A 64 -10.473 -4.511 -4.593 1.00 0.00 C ATOM 881 O THR A 64 -10.147 -5.581 -4.081 1.00 0.00 O ATOM 882 CB THR A 64 -9.694 -4.192 -6.942 1.00 0.00 C ATOM 883 OG1 THR A 64 -9.711 -5.622 -7.016 1.00 0.00 O ATOM 884 CG2 THR A 64 -8.584 -3.646 -7.827 1.00 0.00 C ATOM 0 H THR A 64 -7.824 -4.907 -5.011 1.00 0.00 H new ATOM 0 HA THR A 64 -9.713 -2.676 -5.406 1.00 0.00 H new ATOM 0 HB THR A 64 -10.646 -3.799 -7.298 1.00 0.00 H new ATOM 0 HG1 THR A 64 -9.835 -5.900 -7.948 1.00 0.00 H new ATOM 0 HG21 THR A 64 -8.741 -3.977 -8.854 1.00 0.00 H new ATOM 0 HG22 THR A 64 -8.593 -2.557 -7.791 1.00 0.00 H new ATOM 0 HG23 THR A 64 -7.621 -4.013 -7.471 1.00 0.00 H new ATOM 892 N GLY A 65 -11.669 -3.959 -4.414 1.00 0.00 N ATOM 893 CA GLY A 65 -12.670 -4.607 -3.587 1.00 0.00 C ATOM 894 C GLY A 65 -12.749 -4.009 -2.197 1.00 0.00 C ATOM 895 O GLY A 65 -13.038 -4.711 -1.227 1.00 0.00 O ATOM 0 H GLY A 65 -11.963 -3.074 -4.827 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -13.644 -4.526 -4.070 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -12.440 -5.670 -3.509 1.00 0.00 H new ATOM 899 N LEU A 66 -12.489 -2.711 -2.097 1.00 0.00 N ATOM 900 CA LEU A 66 -12.530 -2.018 -0.814 1.00 0.00 C ATOM 901 C LEU A 66 -13.963 -1.661 -0.433 1.00 0.00 C ATOM 902 O LEU A 66 -14.875 -1.760 -1.253 1.00 0.00 O ATOM 903 CB LEU A 66 -11.673 -0.752 -0.867 1.00 0.00 C ATOM 904 CG LEU A 66 -10.165 -0.967 -0.996 1.00 0.00 C ATOM 905 CD1 LEU A 66 -9.476 0.323 -1.415 1.00 0.00 C ATOM 906 CD2 LEU A 66 -9.586 -1.483 0.313 1.00 0.00 C ATOM 0 H LEU A 66 -12.247 -2.116 -2.890 1.00 0.00 H new ATOM 0 HA LEU A 66 -12.128 -2.689 -0.054 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -12.007 -0.147 -1.710 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -11.861 -0.172 0.037 1.00 0.00 H new ATOM 0 HG LEU A 66 -9.989 -1.716 -1.768 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -8.403 0.151 -1.502 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -9.870 0.650 -2.377 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -9.660 1.094 -0.667 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -8.512 -1.630 0.203 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -9.773 -0.758 1.105 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -10.058 -2.431 0.571 1.00 0.00 H new ATOM 918 N GLN A 67 -14.152 -1.243 0.814 1.00 0.00 N ATOM 919 CA GLN A 67 -15.475 -0.869 1.302 1.00 0.00 C ATOM 920 C GLN A 67 -15.368 0.071 2.498 1.00 0.00 C ATOM 921 O GLN A 67 -14.413 0.002 3.272 1.00 0.00 O ATOM 922 CB GLN A 67 -16.271 -2.117 1.688 1.00 0.00 C ATOM 923 CG GLN A 67 -16.438 -3.108 0.547 1.00 0.00 C ATOM 924 CD GLN A 67 -17.486 -4.164 0.841 1.00 0.00 C ATOM 925 OE1 GLN A 67 -18.479 -4.285 0.125 1.00 0.00 O ATOM 926 NE2 GLN A 67 -17.268 -4.936 1.900 1.00 0.00 N ATOM 0 H GLN A 67 -13.407 -1.155 1.505 1.00 0.00 H new ATOM 0 HA GLN A 67 -15.997 -0.348 0.499 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -15.771 -2.614 2.520 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -17.256 -1.814 2.043 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -16.714 -2.570 -0.360 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -15.483 -3.594 0.350 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -16.430 -4.801 2.466 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -17.938 -5.664 2.147 1.00 0.00 H new ATOM 935 N VAL A 68 -16.355 0.949 2.644 1.00 0.00 N ATOM 936 CA VAL A 68 -16.372 1.903 3.747 1.00 0.00 C ATOM 937 C VAL A 68 -15.834 1.273 5.027 1.00 0.00 C ATOM 938 O VAL A 68 -16.571 0.628 5.771 1.00 0.00 O ATOM 939 CB VAL A 68 -17.794 2.433 4.008 1.00 0.00 C ATOM 940 CG1 VAL A 68 -17.808 3.351 5.221 1.00 0.00 C ATOM 941 CG2 VAL A 68 -18.327 3.154 2.779 1.00 0.00 C ATOM 0 H VAL A 68 -17.153 1.020 2.013 1.00 0.00 H new ATOM 0 HA VAL A 68 -15.729 2.734 3.457 1.00 0.00 H new ATOM 0 HB VAL A 68 -18.446 1.585 4.216 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -18.821 3.716 5.390 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -17.470 2.800 6.098 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -17.143 4.196 5.045 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -19.333 3.522 2.981 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -17.675 3.994 2.538 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -18.356 2.464 1.936 1.00 0.00 H new ATOM 951 N GLY A 69 -14.542 1.465 5.278 1.00 0.00 N ATOM 952 CA GLY A 69 -13.927 0.910 6.469 1.00 0.00 C ATOM 953 C GLY A 69 -12.480 1.334 6.625 1.00 0.00 C ATOM 954 O GLY A 69 -12.074 2.381 6.120 1.00 0.00 O ATOM 0 H GLY A 69 -13.911 1.995 4.677 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -14.492 1.225 7.346 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -13.981 -0.178 6.429 1.00 0.00 H new ATOM 958 N THR A 70 -11.699 0.521 7.329 1.00 0.00 N ATOM 959 CA THR A 70 -10.291 0.818 7.554 1.00 0.00 C ATOM 960 C THR A 70 -9.397 -0.250 6.935 1.00 0.00 C ATOM 961 O THR A 70 -9.630 -1.446 7.111 1.00 0.00 O ATOM 962 CB THR A 70 -9.973 0.929 9.057 1.00 0.00 C ATOM 963 OG1 THR A 70 -10.908 1.808 9.693 1.00 0.00 O ATOM 964 CG2 THR A 70 -8.557 1.443 9.275 1.00 0.00 C ATOM 0 H THR A 70 -12.019 -0.350 7.754 1.00 0.00 H new ATOM 0 HA THR A 70 -10.091 1.777 7.076 1.00 0.00 H new ATOM 0 HB THR A 70 -10.053 -0.065 9.496 1.00 0.00 H new ATOM 0 HG1 THR A 70 -10.700 1.871 10.648 1.00 0.00 H new ATOM 0 HG21 THR A 70 -8.356 1.513 10.344 1.00 0.00 H new ATOM 0 HG22 THR A 70 -7.846 0.756 8.816 1.00 0.00 H new ATOM 0 HG23 THR A 70 -8.454 2.429 8.821 1.00 0.00 H new ATOM 972 N TYR A 71 -8.374 0.188 6.210 1.00 0.00 N ATOM 973 CA TYR A 71 -7.446 -0.731 5.562 1.00 0.00 C ATOM 974 C TYR A 71 -6.000 -0.332 5.841 1.00 0.00 C ATOM 975 O TYR A 71 -5.552 0.743 5.443 1.00 0.00 O ATOM 976 CB TYR A 71 -7.696 -0.763 4.054 1.00 0.00 C ATOM 977 CG TYR A 71 -9.008 -1.410 3.671 1.00 0.00 C ATOM 978 CD1 TYR A 71 -9.119 -2.791 3.562 1.00 0.00 C ATOM 979 CD2 TYR A 71 -10.137 -0.640 3.420 1.00 0.00 C ATOM 980 CE1 TYR A 71 -10.316 -3.385 3.212 1.00 0.00 C ATOM 981 CE2 TYR A 71 -11.339 -1.227 3.071 1.00 0.00 C ATOM 982 CZ TYR A 71 -11.422 -2.599 2.967 1.00 0.00 C ATOM 983 OH TYR A 71 -12.616 -3.188 2.620 1.00 0.00 O ATOM 0 H TYR A 71 -8.166 1.175 6.056 1.00 0.00 H new ATOM 0 HA TYR A 71 -7.615 -1.727 5.972 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -7.678 0.257 3.669 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -6.881 -1.301 3.570 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -8.255 -3.410 3.754 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -10.074 0.435 3.499 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -10.385 -4.460 3.131 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -12.208 -0.614 2.881 1.00 0.00 H new ATOM 0 HH TYR A 71 -13.359 -2.633 2.936 1.00 0.00 H new ATOM 993 N VAL A 72 -5.274 -1.208 6.529 1.00 0.00 N ATOM 994 CA VAL A 72 -3.878 -0.949 6.861 1.00 0.00 C ATOM 995 C VAL A 72 -2.952 -1.921 6.138 1.00 0.00 C ATOM 996 O VAL A 72 -2.997 -3.129 6.372 1.00 0.00 O ATOM 997 CB VAL A 72 -3.632 -1.056 8.377 1.00 0.00 C ATOM 998 CG1 VAL A 72 -2.270 -0.483 8.740 1.00 0.00 C ATOM 999 CG2 VAL A 72 -4.738 -0.349 9.147 1.00 0.00 C ATOM 0 H VAL A 72 -5.629 -2.102 6.867 1.00 0.00 H new ATOM 0 HA VAL A 72 -3.659 0.068 6.536 1.00 0.00 H new ATOM 0 HB VAL A 72 -3.642 -2.110 8.655 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -2.115 -0.568 9.816 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -1.491 -1.037 8.216 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -2.227 0.567 8.449 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -4.548 -0.434 10.217 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -4.762 0.704 8.866 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -5.697 -0.809 8.911 1.00 0.00 H new ATOM 1009 N PHE A 73 -2.112 -1.386 5.258 1.00 0.00 N ATOM 1010 CA PHE A 73 -1.175 -2.207 4.499 1.00 0.00 C ATOM 1011 C PHE A 73 0.262 -1.932 4.932 1.00 0.00 C ATOM 1012 O PHE A 73 0.699 -0.781 4.983 1.00 0.00 O ATOM 1013 CB PHE A 73 -1.328 -1.940 3.000 1.00 0.00 C ATOM 1014 CG PHE A 73 -2.729 -2.141 2.496 1.00 0.00 C ATOM 1015 CD1 PHE A 73 -3.637 -1.095 2.499 1.00 0.00 C ATOM 1016 CD2 PHE A 73 -3.136 -3.376 2.018 1.00 0.00 C ATOM 1017 CE1 PHE A 73 -4.926 -1.277 2.036 1.00 0.00 C ATOM 1018 CE2 PHE A 73 -4.425 -3.564 1.553 1.00 0.00 C ATOM 1019 CZ PHE A 73 -5.320 -2.513 1.561 1.00 0.00 C ATOM 0 H PHE A 73 -2.061 -0.388 5.053 1.00 0.00 H new ATOM 0 HA PHE A 73 -1.403 -3.254 4.699 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -1.017 -0.917 2.788 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -0.655 -2.598 2.451 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -3.334 -0.126 2.867 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -2.439 -4.201 2.008 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -5.625 -0.454 2.045 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -4.731 -4.532 1.184 1.00 0.00 H new ATOM 0 HZ PHE A 73 -6.326 -2.657 1.197 1.00 0.00 H new ATOM 1029 N THR A 74 0.994 -2.997 5.243 1.00 0.00 N ATOM 1030 CA THR A 74 2.381 -2.872 5.673 1.00 0.00 C ATOM 1031 C THR A 74 3.341 -3.238 4.547 1.00 0.00 C ATOM 1032 O THR A 74 3.518 -4.414 4.226 1.00 0.00 O ATOM 1033 CB THR A 74 2.674 -3.766 6.893 1.00 0.00 C ATOM 1034 OG1 THR A 74 1.996 -3.257 8.047 1.00 0.00 O ATOM 1035 CG2 THR A 74 4.169 -3.835 7.167 1.00 0.00 C ATOM 0 H THR A 74 0.649 -3.956 5.205 1.00 0.00 H new ATOM 0 HA THR A 74 2.533 -1.829 5.951 1.00 0.00 H new ATOM 0 HB THR A 74 2.314 -4.771 6.674 1.00 0.00 H new ATOM 0 HG1 THR A 74 2.627 -3.188 8.793 1.00 0.00 H new ATOM 0 HG21 THR A 74 4.351 -4.472 8.033 1.00 0.00 H new ATOM 0 HG22 THR A 74 4.679 -4.250 6.298 1.00 0.00 H new ATOM 0 HG23 THR A 74 4.549 -2.833 7.367 1.00 0.00 H new ATOM 1043 N LEU A 75 3.960 -2.225 3.951 1.00 0.00 N ATOM 1044 CA LEU A 75 4.904 -2.441 2.860 1.00 0.00 C ATOM 1045 C LEU A 75 6.259 -2.892 3.394 1.00 0.00 C ATOM 1046 O LEU A 75 7.029 -2.090 3.923 1.00 0.00 O ATOM 1047 CB LEU A 75 5.067 -1.160 2.039 1.00 0.00 C ATOM 1048 CG LEU A 75 6.302 -1.091 1.140 1.00 0.00 C ATOM 1049 CD1 LEU A 75 6.082 -1.898 -0.130 1.00 0.00 C ATOM 1050 CD2 LEU A 75 6.637 0.355 0.805 1.00 0.00 C ATOM 0 H LEU A 75 3.825 -1.246 4.205 1.00 0.00 H new ATOM 0 HA LEU A 75 4.507 -3.228 2.219 1.00 0.00 H new ATOM 0 HB2 LEU A 75 4.181 -1.037 1.416 1.00 0.00 H new ATOM 0 HB3 LEU A 75 5.094 -0.314 2.725 1.00 0.00 H new ATOM 0 HG LEU A 75 7.146 -1.523 1.679 1.00 0.00 H new ATOM 0 HD11 LEU A 75 6.971 -1.838 -0.758 1.00 0.00 H new ATOM 0 HD12 LEU A 75 5.891 -2.939 0.129 1.00 0.00 H new ATOM 0 HD13 LEU A 75 5.226 -1.496 -0.673 1.00 0.00 H new ATOM 0 HD21 LEU A 75 7.518 0.385 0.165 1.00 0.00 H new ATOM 0 HD22 LEU A 75 5.795 0.813 0.285 1.00 0.00 H new ATOM 0 HD23 LEU A 75 6.838 0.904 1.725 1.00 0.00 H new ATOM 1062 N THR A 76 6.547 -4.182 3.250 1.00 0.00 N ATOM 1063 CA THR A 76 7.809 -4.740 3.716 1.00 0.00 C ATOM 1064 C THR A 76 8.846 -4.765 2.599 1.00 0.00 C ATOM 1065 O THR A 76 8.532 -5.089 1.454 1.00 0.00 O ATOM 1066 CB THR A 76 7.625 -6.169 4.261 1.00 0.00 C ATOM 1067 OG1 THR A 76 6.406 -6.255 5.008 1.00 0.00 O ATOM 1068 CG2 THR A 76 8.797 -6.567 5.145 1.00 0.00 C ATOM 0 H THR A 76 5.922 -4.860 2.814 1.00 0.00 H new ATOM 0 HA THR A 76 8.161 -4.094 4.521 1.00 0.00 H new ATOM 0 HB THR A 76 7.581 -6.854 3.414 1.00 0.00 H new ATOM 0 HG1 THR A 76 6.295 -7.167 5.350 1.00 0.00 H new ATOM 0 HG21 THR A 76 8.644 -7.580 5.518 1.00 0.00 H new ATOM 0 HG22 THR A 76 9.719 -6.529 4.565 1.00 0.00 H new ATOM 0 HG23 THR A 76 8.869 -5.878 5.986 1.00 0.00 H new ATOM 1076 N VAL A 77 10.084 -4.420 2.939 1.00 0.00 N ATOM 1077 CA VAL A 77 11.168 -4.404 1.964 1.00 0.00 C ATOM 1078 C VAL A 77 12.475 -4.882 2.588 1.00 0.00 C ATOM 1079 O VAL A 77 12.626 -4.892 3.809 1.00 0.00 O ATOM 1080 CB VAL A 77 11.376 -2.994 1.379 1.00 0.00 C ATOM 1081 CG1 VAL A 77 10.068 -2.445 0.831 1.00 0.00 C ATOM 1082 CG2 VAL A 77 11.957 -2.062 2.432 1.00 0.00 C ATOM 0 H VAL A 77 10.361 -4.148 3.882 1.00 0.00 H new ATOM 0 HA VAL A 77 10.882 -5.084 1.161 1.00 0.00 H new ATOM 0 HB VAL A 77 12.086 -3.062 0.555 1.00 0.00 H new ATOM 0 HG11 VAL A 77 10.235 -1.448 0.422 1.00 0.00 H new ATOM 0 HG12 VAL A 77 9.698 -3.103 0.044 1.00 0.00 H new ATOM 0 HG13 VAL A 77 9.332 -2.390 1.633 1.00 0.00 H new ATOM 0 HG21 VAL A 77 12.098 -1.070 2.002 1.00 0.00 H new ATOM 0 HG22 VAL A 77 11.273 -1.997 3.278 1.00 0.00 H new ATOM 0 HG23 VAL A 77 12.917 -2.450 2.771 1.00 0.00 H new ATOM 1092 N LYS A 78 13.418 -5.277 1.740 1.00 0.00 N ATOM 1093 CA LYS A 78 14.715 -5.755 2.206 1.00 0.00 C ATOM 1094 C LYS A 78 15.830 -5.301 1.270 1.00 0.00 C ATOM 1095 O LYS A 78 15.905 -5.736 0.121 1.00 0.00 O ATOM 1096 CB LYS A 78 14.711 -7.282 2.310 1.00 0.00 C ATOM 1097 CG LYS A 78 14.287 -7.798 3.674 1.00 0.00 C ATOM 1098 CD LYS A 78 14.183 -9.314 3.689 1.00 0.00 C ATOM 1099 CE LYS A 78 12.787 -9.780 3.308 1.00 0.00 C ATOM 1100 NZ LYS A 78 12.470 -9.480 1.884 1.00 0.00 N ATOM 0 H LYS A 78 13.309 -5.276 0.726 1.00 0.00 H new ATOM 0 HA LYS A 78 14.898 -5.330 3.193 1.00 0.00 H new ATOM 0 HB2 LYS A 78 14.040 -7.688 1.553 1.00 0.00 H new ATOM 0 HB3 LYS A 78 15.710 -7.656 2.084 1.00 0.00 H new ATOM 0 HG2 LYS A 78 15.006 -7.474 4.426 1.00 0.00 H new ATOM 0 HG3 LYS A 78 13.325 -7.364 3.945 1.00 0.00 H new ATOM 0 HD2 LYS A 78 14.911 -9.737 2.996 1.00 0.00 H new ATOM 0 HD3 LYS A 78 14.434 -9.687 4.682 1.00 0.00 H new ATOM 0 HE2 LYS A 78 12.703 -10.853 3.480 1.00 0.00 H new ATOM 0 HE3 LYS A 78 12.054 -9.295 3.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 11.710 -10.111 1.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 12.160 -8.491 1.798 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 13.318 -9.629 1.301 1.00 0.00 H new ATOM 1114 N ASP A 79 16.696 -4.427 1.770 1.00 0.00 N ATOM 1115 CA ASP A 79 17.810 -3.916 0.979 1.00 0.00 C ATOM 1116 C ASP A 79 18.859 -5.000 0.754 1.00 0.00 C ATOM 1117 O ASP A 79 18.691 -6.139 1.189 1.00 0.00 O ATOM 1118 CB ASP A 79 18.446 -2.710 1.673 1.00 0.00 C ATOM 1119 CG ASP A 79 17.796 -1.401 1.270 1.00 0.00 C ATOM 1120 OD1 ASP A 79 18.140 -0.876 0.191 1.00 0.00 O ATOM 1121 OD2 ASP A 79 16.943 -0.903 2.034 1.00 0.00 O ATOM 0 H ASP A 79 16.648 -4.057 2.719 1.00 0.00 H new ATOM 0 HA ASP A 79 17.422 -3.604 0.009 1.00 0.00 H new ATOM 0 HB2 ASP A 79 18.368 -2.833 2.753 1.00 0.00 H new ATOM 0 HB3 ASP A 79 19.508 -2.674 1.432 1.00 0.00 H new ATOM 1126 N GLU A 80 19.940 -4.638 0.071 1.00 0.00 N ATOM 1127 CA GLU A 80 21.015 -5.582 -0.213 1.00 0.00 C ATOM 1128 C GLU A 80 21.547 -6.205 1.075 1.00 0.00 C ATOM 1129 O GLU A 80 21.952 -7.367 1.093 1.00 0.00 O ATOM 1130 CB GLU A 80 22.152 -4.883 -0.961 1.00 0.00 C ATOM 1131 CG GLU A 80 21.850 -4.630 -2.429 1.00 0.00 C ATOM 1132 CD GLU A 80 22.224 -5.803 -3.313 1.00 0.00 C ATOM 1133 OE1 GLU A 80 23.121 -6.579 -2.922 1.00 0.00 O ATOM 1134 OE2 GLU A 80 21.619 -5.945 -4.396 1.00 0.00 O ATOM 0 H GLU A 80 20.095 -3.699 -0.296 1.00 0.00 H new ATOM 0 HA GLU A 80 20.610 -6.376 -0.840 1.00 0.00 H new ATOM 0 HB2 GLU A 80 22.366 -3.932 -0.474 1.00 0.00 H new ATOM 0 HB3 GLU A 80 23.054 -5.490 -0.884 1.00 0.00 H new ATOM 0 HG2 GLU A 80 20.788 -4.416 -2.546 1.00 0.00 H new ATOM 0 HG3 GLU A 80 22.391 -3.744 -2.760 1.00 0.00 H new ATOM 1141 N ARG A 81 21.542 -5.423 2.150 1.00 0.00 N ATOM 1142 CA ARG A 81 22.025 -5.896 3.441 1.00 0.00 C ATOM 1143 C ARG A 81 20.924 -6.637 4.195 1.00 0.00 C ATOM 1144 O ARG A 81 20.863 -6.595 5.423 1.00 0.00 O ATOM 1145 CB ARG A 81 22.532 -4.723 4.281 1.00 0.00 C ATOM 1146 CG ARG A 81 24.004 -4.411 4.065 1.00 0.00 C ATOM 1147 CD ARG A 81 24.886 -5.584 4.459 1.00 0.00 C ATOM 1148 NE ARG A 81 26.287 -5.195 4.596 1.00 0.00 N ATOM 1149 CZ ARG A 81 27.246 -6.025 4.991 1.00 0.00 C ATOM 1150 NH1 ARG A 81 26.956 -7.285 5.286 1.00 0.00 N ATOM 1151 NH2 ARG A 81 28.498 -5.596 5.091 1.00 0.00 N ATOM 0 H ARG A 81 21.209 -4.459 2.152 1.00 0.00 H new ATOM 0 HA ARG A 81 22.848 -6.588 3.261 1.00 0.00 H new ATOM 0 HB2 ARG A 81 21.943 -3.837 4.045 1.00 0.00 H new ATOM 0 HB3 ARG A 81 22.367 -4.944 5.336 1.00 0.00 H new ATOM 0 HG2 ARG A 81 24.174 -4.162 3.018 1.00 0.00 H new ATOM 0 HG3 ARG A 81 24.281 -3.534 4.650 1.00 0.00 H new ATOM 0 HD2 ARG A 81 24.532 -6.003 5.401 1.00 0.00 H new ATOM 0 HD3 ARG A 81 24.800 -6.370 3.709 1.00 0.00 H new ATOM 0 HE ARG A 81 26.543 -4.233 4.376 1.00 0.00 H new ATOM 0 HH11 ARG A 81 25.995 -7.618 5.210 1.00 0.00 H new ATOM 0 HH12 ARG A 81 27.694 -7.921 5.589 1.00 0.00 H new ATOM 0 HH21 ARG A 81 28.725 -4.628 4.864 1.00 0.00 H new ATOM 0 HH22 ARG A 81 29.233 -6.235 5.394 1.00 0.00 H new ATOM 1165 N ASN A 82 20.056 -7.313 3.450 1.00 0.00 N ATOM 1166 CA ASN A 82 18.956 -8.062 4.048 1.00 0.00 C ATOM 1167 C ASN A 82 18.342 -7.290 5.212 1.00 0.00 C ATOM 1168 O ASN A 82 17.786 -7.881 6.139 1.00 0.00 O ATOM 1169 CB ASN A 82 19.446 -9.429 4.530 1.00 0.00 C ATOM 1170 CG ASN A 82 18.343 -10.470 4.532 1.00 0.00 C ATOM 1171 OD1 ASN A 82 18.244 -11.288 3.617 1.00 0.00 O ATOM 1172 ND2 ASN A 82 17.507 -10.445 5.563 1.00 0.00 N ATOM 0 H ASN A 82 20.093 -7.358 2.432 1.00 0.00 H new ATOM 0 HA ASN A 82 18.190 -8.206 3.286 1.00 0.00 H new ATOM 0 HB2 ASN A 82 20.260 -9.767 3.889 1.00 0.00 H new ATOM 0 HB3 ASN A 82 19.852 -9.332 5.537 1.00 0.00 H new ATOM 0 HD21 ASN A 82 16.746 -11.121 5.619 1.00 0.00 H new ATOM 0 HD22 ASN A 82 17.626 -9.749 6.299 1.00 0.00 H new ATOM 1179 N LEU A 83 18.444 -5.967 5.156 1.00 0.00 N ATOM 1180 CA LEU A 83 17.898 -5.112 6.205 1.00 0.00 C ATOM 1181 C LEU A 83 16.373 -5.160 6.206 1.00 0.00 C ATOM 1182 O LEU A 83 15.735 -4.942 5.177 1.00 0.00 O ATOM 1183 CB LEU A 83 18.374 -3.671 6.015 1.00 0.00 C ATOM 1184 CG LEU A 83 19.888 -3.457 6.035 1.00 0.00 C ATOM 1185 CD1 LEU A 83 20.240 -2.085 5.480 1.00 0.00 C ATOM 1186 CD2 LEU A 83 20.431 -3.618 7.447 1.00 0.00 C ATOM 0 H LEU A 83 18.900 -5.463 4.396 1.00 0.00 H new ATOM 0 HA LEU A 83 18.256 -5.482 7.166 1.00 0.00 H new ATOM 0 HB2 LEU A 83 17.988 -3.304 5.064 1.00 0.00 H new ATOM 0 HB3 LEU A 83 17.930 -3.056 6.798 1.00 0.00 H new ATOM 0 HG LEU A 83 20.351 -4.213 5.401 1.00 0.00 H new ATOM 0 HD11 LEU A 83 21.321 -1.950 5.502 1.00 0.00 H new ATOM 0 HD12 LEU A 83 19.885 -2.006 4.452 1.00 0.00 H new ATOM 0 HD13 LEU A 83 19.766 -1.314 6.088 1.00 0.00 H new ATOM 0 HD21 LEU A 83 21.510 -3.462 7.442 1.00 0.00 H new ATOM 0 HD22 LEU A 83 19.962 -2.885 8.103 1.00 0.00 H new ATOM 0 HD23 LEU A 83 20.211 -4.622 7.809 1.00 0.00 H new ATOM 1198 N GLN A 84 15.796 -5.444 7.370 1.00 0.00 N ATOM 1199 CA GLN A 84 14.346 -5.518 7.505 1.00 0.00 C ATOM 1200 C GLN A 84 13.755 -4.142 7.791 1.00 0.00 C ATOM 1201 O GLN A 84 14.138 -3.479 8.755 1.00 0.00 O ATOM 1202 CB GLN A 84 13.967 -6.492 8.622 1.00 0.00 C ATOM 1203 CG GLN A 84 12.599 -7.129 8.435 1.00 0.00 C ATOM 1204 CD GLN A 84 11.929 -7.470 9.752 1.00 0.00 C ATOM 1205 OE1 GLN A 84 11.991 -8.609 10.216 1.00 0.00 O ATOM 1206 NE2 GLN A 84 11.284 -6.483 10.362 1.00 0.00 N ATOM 0 H GLN A 84 16.310 -5.626 8.232 1.00 0.00 H new ATOM 0 HA GLN A 84 13.936 -5.880 6.562 1.00 0.00 H new ATOM 0 HB2 GLN A 84 14.720 -7.278 8.678 1.00 0.00 H new ATOM 0 HB3 GLN A 84 13.986 -5.964 9.575 1.00 0.00 H new ATOM 0 HG2 GLN A 84 11.960 -6.449 7.872 1.00 0.00 H new ATOM 0 HG3 GLN A 84 12.703 -8.036 7.839 1.00 0.00 H new ATOM 0 HE21 GLN A 84 11.258 -5.554 9.941 1.00 0.00 H new ATOM 0 HE22 GLN A 84 10.814 -6.654 11.251 1.00 0.00 H new ATOM 1215 N SER A 85 12.821 -3.718 6.946 1.00 0.00 N ATOM 1216 CA SER A 85 12.179 -2.418 7.106 1.00 0.00 C ATOM 1217 C SER A 85 10.819 -2.395 6.415 1.00 0.00 C ATOM 1218 O SER A 85 10.719 -2.627 5.211 1.00 0.00 O ATOM 1219 CB SER A 85 13.071 -1.312 6.538 1.00 0.00 C ATOM 1220 OG SER A 85 14.075 -0.939 7.466 1.00 0.00 O ATOM 0 H SER A 85 12.492 -4.255 6.144 1.00 0.00 H new ATOM 0 HA SER A 85 12.029 -2.243 8.171 1.00 0.00 H new ATOM 0 HB2 SER A 85 13.535 -1.654 5.613 1.00 0.00 H new ATOM 0 HB3 SER A 85 12.463 -0.443 6.287 1.00 0.00 H new ATOM 0 HG SER A 85 14.196 -1.656 8.123 1.00 0.00 H new ATOM 1226 N GLN A 86 9.775 -2.113 7.188 1.00 0.00 N ATOM 1227 CA GLN A 86 8.420 -2.060 6.651 1.00 0.00 C ATOM 1228 C GLN A 86 7.710 -0.784 7.091 1.00 0.00 C ATOM 1229 O GLN A 86 8.046 -0.198 8.120 1.00 0.00 O ATOM 1230 CB GLN A 86 7.622 -3.284 7.103 1.00 0.00 C ATOM 1231 CG GLN A 86 7.343 -3.311 8.597 1.00 0.00 C ATOM 1232 CD GLN A 86 7.221 -4.720 9.143 1.00 0.00 C ATOM 1233 OE1 GLN A 86 6.037 -5.063 9.638 1.00 0.00 O flip ATOM 1234 NE2 GLN A 86 8.179 -5.493 9.119 1.00 0.00 N flip ATOM 0 H GLN A 86 9.841 -1.918 8.187 1.00 0.00 H new ATOM 0 HA GLN A 86 8.487 -2.060 5.563 1.00 0.00 H new ATOM 0 HB2 GLN A 86 6.675 -3.309 6.564 1.00 0.00 H new ATOM 0 HB3 GLN A 86 8.169 -4.186 6.828 1.00 0.00 H new ATOM 0 HG2 GLN A 86 8.144 -2.790 9.122 1.00 0.00 H new ATOM 0 HG3 GLN A 86 6.421 -2.766 8.800 1.00 0.00 H new ATOM 0 HE21 GLN A 86 9.071 -5.188 8.729 1.00 0.00 H new ATOM 0 HE22 GLN A 86 8.081 -6.439 9.489 1.00 0.00 H new ATOM 1243 N SER A 87 6.726 -0.360 6.305 1.00 0.00 N ATOM 1244 CA SER A 87 5.970 0.849 6.611 1.00 0.00 C ATOM 1245 C SER A 87 4.473 0.614 6.436 1.00 0.00 C ATOM 1246 O SER A 87 4.035 0.058 5.428 1.00 0.00 O ATOM 1247 CB SER A 87 6.426 2.002 5.714 1.00 0.00 C ATOM 1248 OG SER A 87 6.252 1.681 4.344 1.00 0.00 O ATOM 0 H SER A 87 6.433 -0.836 5.451 1.00 0.00 H new ATOM 0 HA SER A 87 6.159 1.111 7.652 1.00 0.00 H new ATOM 0 HB2 SER A 87 5.859 2.901 5.955 1.00 0.00 H new ATOM 0 HB3 SER A 87 7.475 2.225 5.908 1.00 0.00 H new ATOM 0 HG SER A 87 6.108 2.503 3.831 1.00 0.00 H new ATOM 1254 N SER A 88 3.693 1.040 7.424 1.00 0.00 N ATOM 1255 CA SER A 88 2.246 0.873 7.382 1.00 0.00 C ATOM 1256 C SER A 88 1.561 2.167 6.953 1.00 0.00 C ATOM 1257 O SER A 88 2.007 3.262 7.297 1.00 0.00 O ATOM 1258 CB SER A 88 1.721 0.434 8.751 1.00 0.00 C ATOM 1259 OG SER A 88 2.311 1.196 9.790 1.00 0.00 O ATOM 0 H SER A 88 4.040 1.504 8.264 1.00 0.00 H new ATOM 0 HA SER A 88 2.016 0.100 6.648 1.00 0.00 H new ATOM 0 HB2 SER A 88 0.637 0.548 8.782 1.00 0.00 H new ATOM 0 HB3 SER A 88 1.935 -0.624 8.904 1.00 0.00 H new ATOM 0 HG SER A 88 1.959 0.898 10.655 1.00 0.00 H new ATOM 1265 N VAL A 89 0.475 2.033 6.199 1.00 0.00 N ATOM 1266 CA VAL A 89 -0.273 3.191 5.723 1.00 0.00 C ATOM 1267 C VAL A 89 -1.765 3.030 5.992 1.00 0.00 C ATOM 1268 O VAL A 89 -2.319 1.942 5.841 1.00 0.00 O ATOM 1269 CB VAL A 89 -0.056 3.418 4.215 1.00 0.00 C ATOM 1270 CG1 VAL A 89 -0.338 2.142 3.437 1.00 0.00 C ATOM 1271 CG2 VAL A 89 -0.930 4.560 3.718 1.00 0.00 C ATOM 0 H VAL A 89 0.093 1.134 5.904 1.00 0.00 H new ATOM 0 HA VAL A 89 0.101 4.056 6.271 1.00 0.00 H new ATOM 0 HB VAL A 89 0.987 3.691 4.052 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -0.179 2.322 2.374 1.00 0.00 H new ATOM 0 HG12 VAL A 89 0.334 1.353 3.776 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -1.371 1.835 3.603 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -0.764 4.707 2.651 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -1.978 4.318 3.893 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -0.674 5.474 4.254 1.00 0.00 H new ATOM 1281 N ASN A 90 -2.410 4.121 6.391 1.00 0.00 N ATOM 1282 CA ASN A 90 -3.839 4.101 6.681 1.00 0.00 C ATOM 1283 C ASN A 90 -4.652 4.443 5.436 1.00 0.00 C ATOM 1284 O ASN A 90 -4.487 5.512 4.848 1.00 0.00 O ATOM 1285 CB ASN A 90 -4.167 5.087 7.804 1.00 0.00 C ATOM 1286 CG ASN A 90 -3.640 4.626 9.149 1.00 0.00 C ATOM 1287 OD1 ASN A 90 -3.733 3.448 9.494 1.00 0.00 O ATOM 1288 ND2 ASN A 90 -3.085 5.556 9.917 1.00 0.00 N ATOM 0 H ASN A 90 -1.966 5.030 6.521 1.00 0.00 H new ATOM 0 HA ASN A 90 -4.105 3.094 7.002 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -3.741 6.061 7.564 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -5.247 5.218 7.865 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -2.714 5.306 10.834 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -3.029 6.521 9.590 1.00 0.00 H new ATOM 1295 N VAL A 91 -5.531 3.528 5.039 1.00 0.00 N ATOM 1296 CA VAL A 91 -6.371 3.733 3.866 1.00 0.00 C ATOM 1297 C VAL A 91 -7.849 3.741 4.242 1.00 0.00 C ATOM 1298 O VAL A 91 -8.434 2.694 4.521 1.00 0.00 O ATOM 1299 CB VAL A 91 -6.129 2.642 2.805 1.00 0.00 C ATOM 1300 CG1 VAL A 91 -7.104 2.797 1.648 1.00 0.00 C ATOM 1301 CG2 VAL A 91 -4.691 2.690 2.311 1.00 0.00 C ATOM 0 H VAL A 91 -5.679 2.637 5.513 1.00 0.00 H new ATOM 0 HA VAL A 91 -6.100 4.703 3.449 1.00 0.00 H new ATOM 0 HB VAL A 91 -6.299 1.668 3.264 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -6.918 2.018 0.909 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -8.125 2.709 2.019 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -6.968 3.775 1.186 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -4.537 1.913 1.562 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -4.491 3.666 1.868 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -4.013 2.526 3.149 1.00 0.00 H new ATOM 1311 N ILE A 92 -8.445 4.928 4.247 1.00 0.00 N ATOM 1312 CA ILE A 92 -9.855 5.073 4.588 1.00 0.00 C ATOM 1313 C ILE A 92 -10.718 5.156 3.333 1.00 0.00 C ATOM 1314 O ILE A 92 -10.297 5.699 2.312 1.00 0.00 O ATOM 1315 CB ILE A 92 -10.101 6.325 5.451 1.00 0.00 C ATOM 1316 CG1 ILE A 92 -9.457 6.156 6.828 1.00 0.00 C ATOM 1317 CG2 ILE A 92 -11.593 6.590 5.586 1.00 0.00 C ATOM 1318 CD1 ILE A 92 -9.002 7.459 7.447 1.00 0.00 C ATOM 0 H ILE A 92 -7.974 5.803 4.019 1.00 0.00 H new ATOM 0 HA ILE A 92 -10.134 4.188 5.160 1.00 0.00 H new ATOM 0 HB ILE A 92 -9.643 7.183 4.960 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -10.170 5.675 7.497 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -8.601 5.487 6.740 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -11.751 7.478 6.198 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -12.025 6.749 4.598 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -12.073 5.733 6.058 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -8.555 7.262 8.422 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -8.264 7.932 6.799 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -9.858 8.123 7.567 1.00 0.00 H new ATOM 1330 N VAL A 93 -11.929 4.616 3.418 1.00 0.00 N ATOM 1331 CA VAL A 93 -12.854 4.631 2.290 1.00 0.00 C ATOM 1332 C VAL A 93 -14.129 5.392 2.636 1.00 0.00 C ATOM 1333 O VAL A 93 -14.688 5.230 3.721 1.00 0.00 O ATOM 1334 CB VAL A 93 -13.225 3.203 1.849 1.00 0.00 C ATOM 1335 CG1 VAL A 93 -14.248 3.241 0.723 1.00 0.00 C ATOM 1336 CG2 VAL A 93 -11.981 2.437 1.425 1.00 0.00 C ATOM 0 H VAL A 93 -12.293 4.163 4.256 1.00 0.00 H new ATOM 0 HA VAL A 93 -12.344 5.135 1.469 1.00 0.00 H new ATOM 0 HB VAL A 93 -13.672 2.684 2.697 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -14.498 2.223 0.424 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -15.148 3.750 1.067 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -13.831 3.777 -0.130 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -12.261 1.430 1.116 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -11.503 2.952 0.592 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -11.286 2.380 2.263 1.00 0.00 H new ATOM 1346 N LYS A 94 -14.586 6.224 1.706 1.00 0.00 N ATOM 1347 CA LYS A 94 -15.797 7.010 1.909 1.00 0.00 C ATOM 1348 C LYS A 94 -16.829 6.710 0.827 1.00 0.00 C ATOM 1349 O LYS A 94 -16.567 5.939 -0.095 1.00 0.00 O ATOM 1350 CB LYS A 94 -15.465 8.504 1.913 1.00 0.00 C ATOM 1351 CG LYS A 94 -14.764 8.969 3.178 1.00 0.00 C ATOM 1352 CD LYS A 94 -15.537 8.568 4.423 1.00 0.00 C ATOM 1353 CE LYS A 94 -15.269 9.522 5.576 1.00 0.00 C ATOM 1354 NZ LYS A 94 -16.031 9.142 6.799 1.00 0.00 N ATOM 0 H LYS A 94 -14.135 6.371 0.803 1.00 0.00 H new ATOM 0 HA LYS A 94 -16.220 6.736 2.875 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -14.833 8.729 1.054 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -16.387 9.073 1.789 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -13.762 8.542 3.218 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -14.648 10.053 3.154 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -16.604 8.554 4.201 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -15.259 7.555 4.715 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -14.202 9.530 5.800 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -15.540 10.535 5.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -15.821 9.817 7.562 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -17.050 9.159 6.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -15.754 8.185 7.097 1.00 0.00 H new ATOM 1368 N GLU A 95 -18.001 7.326 0.946 1.00 0.00 N ATOM 1369 CA GLU A 95 -19.071 7.124 -0.024 1.00 0.00 C ATOM 1370 C GLU A 95 -19.043 8.207 -1.098 1.00 0.00 C ATOM 1371 O GLU A 95 -18.657 9.345 -0.836 1.00 0.00 O ATOM 1372 CB GLU A 95 -20.431 7.121 0.677 1.00 0.00 C ATOM 1373 CG GLU A 95 -20.850 5.752 1.187 1.00 0.00 C ATOM 1374 CD GLU A 95 -21.645 4.967 0.162 1.00 0.00 C ATOM 1375 OE1 GLU A 95 -22.379 5.597 -0.628 1.00 0.00 O ATOM 1376 OE2 GLU A 95 -21.535 3.723 0.151 1.00 0.00 O ATOM 0 H GLU A 95 -18.233 7.968 1.704 1.00 0.00 H new ATOM 0 HA GLU A 95 -18.915 6.157 -0.503 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -20.400 7.818 1.515 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -21.188 7.489 -0.016 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -19.962 5.184 1.465 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -21.448 5.872 2.091 1.00 0.00 H new