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 -130:sc= -0.435 USER MOD Set 1.2: A 74 THR OG1 : rot -150:sc= 0.0329 USER MOD Single : A 15 LYS NZ :NH3+ 139:sc= 0.0215 (180deg=0) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 40:sc= -1.27 USER MOD Single : A 25 THR OG1 : rot 31:sc= 0.104 USER MOD Single : A 39 SER OG : rot 140:sc= 0 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ -172:sc= 0.324! (180deg=-0.5!) USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 ASN : amide:sc= 0 X(o=0,f=-0.027) USER MOD Single : A 57 ASN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc= -0.0301 USER MOD Single : A 64 THR OG1 : rot 180:sc= -0.0351 USER MOD Single : A 67 GLN : amide:sc= -0.0201 K(o=-0.02,f=-1.4) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 TYR OH : rot 150:sc= -0.562 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 ASN : amide:sc= -0.169 K(o=-0.17,f=-2.2!) USER MOD Single : A 84 GLN : amide:sc= -0.0179 X(o=-0.018,f=0) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 87 SER OG : rot 36:sc= 0.686 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 90 ASN : amide:sc= -0.0539 X(o=-0.054,f=0) USER MOD Single : A 94 LYS NZ :NH3+ 148:sc= 0 (180deg=-1.13) USER MOD ----------------------------------------------------------------- ATOM 105 N ALA A 11 5.630 3.350 2.679 1.00 0.00 N ATOM 106 CA ALA A 11 4.459 2.775 2.029 1.00 0.00 C ATOM 107 C ALA A 11 3.679 3.838 1.262 1.00 0.00 C ATOM 108 O ALA A 11 3.127 3.569 0.197 1.00 0.00 O ATOM 109 CB ALA A 11 3.563 2.099 3.056 1.00 0.00 C ATOM 0 HA ALA A 11 4.802 2.027 1.314 1.00 0.00 H new ATOM 0 HB1 ALA A 11 2.693 1.674 2.556 1.00 0.00 H new ATOM 0 HB2 ALA A 11 4.118 1.305 3.556 1.00 0.00 H new ATOM 0 HB3 ALA A 11 3.236 2.833 3.793 1.00 0.00 H new ATOM 115 N GLY A 12 3.638 5.048 1.813 1.00 0.00 N ATOM 116 CA GLY A 12 2.922 6.133 1.167 1.00 0.00 C ATOM 117 C GLY A 12 2.080 6.932 2.142 1.00 0.00 C ATOM 118 O GLY A 12 1.783 6.486 3.250 1.00 0.00 O ATOM 0 H GLY A 12 4.088 5.296 2.694 1.00 0.00 H new ATOM 0 HA2 GLY A 12 3.636 6.797 0.680 1.00 0.00 H new ATOM 0 HA3 GLY A 12 2.280 5.726 0.385 1.00 0.00 H new ATOM 122 N PRO A 13 1.683 8.145 1.729 1.00 0.00 N ATOM 123 CA PRO A 13 0.865 9.035 2.559 1.00 0.00 C ATOM 124 C PRO A 13 -0.559 8.519 2.733 1.00 0.00 C ATOM 125 O PRO A 13 -1.036 7.705 1.942 1.00 0.00 O ATOM 126 CB PRO A 13 0.866 10.350 1.777 1.00 0.00 C ATOM 127 CG PRO A 13 1.107 9.949 0.362 1.00 0.00 C ATOM 128 CD PRO A 13 2.000 8.741 0.421 1.00 0.00 C ATOM 0 HA PRO A 13 1.260 9.125 3.571 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -0.083 10.875 1.884 1.00 0.00 H new ATOM 0 HB3 PRO A 13 1.644 11.023 2.136 1.00 0.00 H new ATOM 0 HG2 PRO A 13 0.169 9.717 -0.143 1.00 0.00 H new ATOM 0 HG3 PRO A 13 1.579 10.757 -0.198 1.00 0.00 H new ATOM 0 HD2 PRO A 13 1.795 8.049 -0.396 1.00 0.00 H new ATOM 0 HD3 PRO A 13 3.052 9.016 0.349 1.00 0.00 H new ATOM 136 N ASP A 14 -1.234 8.998 3.772 1.00 0.00 N ATOM 137 CA ASP A 14 -2.605 8.587 4.049 1.00 0.00 C ATOM 138 C ASP A 14 -3.392 8.413 2.753 1.00 0.00 C ATOM 139 O ASP A 14 -3.274 9.218 1.829 1.00 0.00 O ATOM 140 CB ASP A 14 -3.298 9.613 4.947 1.00 0.00 C ATOM 141 CG ASP A 14 -3.809 10.811 4.170 1.00 0.00 C ATOM 142 OD1 ASP A 14 -4.726 10.633 3.340 1.00 0.00 O ATOM 143 OD2 ASP A 14 -3.292 11.926 4.391 1.00 0.00 O ATOM 0 H ASP A 14 -0.854 9.672 4.437 1.00 0.00 H new ATOM 0 HA ASP A 14 -2.573 7.628 4.566 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -4.131 9.136 5.463 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -2.600 9.951 5.713 1.00 0.00 H new ATOM 148 N LYS A 15 -4.195 7.356 2.692 1.00 0.00 N ATOM 149 CA LYS A 15 -5.002 7.075 1.511 1.00 0.00 C ATOM 150 C LYS A 15 -6.478 7.348 1.783 1.00 0.00 C ATOM 151 O LYS A 15 -7.057 6.803 2.722 1.00 0.00 O ATOM 152 CB LYS A 15 -4.815 5.620 1.074 1.00 0.00 C ATOM 153 CG LYS A 15 -3.544 5.385 0.275 1.00 0.00 C ATOM 154 CD LYS A 15 -3.777 5.579 -1.213 1.00 0.00 C ATOM 155 CE LYS A 15 -2.509 6.032 -1.921 1.00 0.00 C ATOM 156 NZ LYS A 15 -2.766 6.394 -3.343 1.00 0.00 N ATOM 0 H LYS A 15 -4.304 6.679 3.448 1.00 0.00 H new ATOM 0 HA LYS A 15 -4.669 7.735 0.710 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -4.802 4.982 1.958 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -5.673 5.316 0.474 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -2.768 6.070 0.615 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -3.180 4.374 0.458 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -4.127 4.645 -1.653 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -4.564 6.317 -1.366 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -2.088 6.891 -1.398 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -1.765 5.237 -1.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -2.229 7.251 -3.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -2.467 5.612 -3.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -3.782 6.573 -3.478 1.00 0.00 H new ATOM 170 N GLU A 16 -7.081 8.195 0.954 1.00 0.00 N ATOM 171 CA GLU A 16 -8.490 8.539 1.106 1.00 0.00 C ATOM 172 C GLU A 16 -9.239 8.359 -0.211 1.00 0.00 C ATOM 173 O GLU A 16 -9.136 9.189 -1.116 1.00 0.00 O ATOM 174 CB GLU A 16 -8.635 9.982 1.595 1.00 0.00 C ATOM 175 CG GLU A 16 -9.876 10.215 2.441 1.00 0.00 C ATOM 176 CD GLU A 16 -10.294 11.672 2.474 1.00 0.00 C ATOM 177 OE1 GLU A 16 -9.812 12.407 3.362 1.00 0.00 O ATOM 178 OE2 GLU A 16 -11.102 12.078 1.613 1.00 0.00 O ATOM 0 H GLU A 16 -6.616 8.655 0.171 1.00 0.00 H new ATOM 0 HA GLU A 16 -8.924 7.867 1.846 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -7.753 10.250 2.177 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -8.663 10.648 0.733 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -10.697 9.614 2.049 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -9.687 9.872 3.458 1.00 0.00 H new ATOM 185 N LEU A 17 -9.992 7.270 -0.313 1.00 0.00 N ATOM 186 CA LEU A 17 -10.759 6.979 -1.519 1.00 0.00 C ATOM 187 C LEU A 17 -12.242 7.266 -1.304 1.00 0.00 C ATOM 188 O LEU A 17 -12.746 7.184 -0.183 1.00 0.00 O ATOM 189 CB LEU A 17 -10.565 5.519 -1.932 1.00 0.00 C ATOM 190 CG LEU A 17 -9.125 5.004 -1.918 1.00 0.00 C ATOM 191 CD1 LEU A 17 -9.100 3.495 -1.730 1.00 0.00 C ATOM 192 CD2 LEU A 17 -8.406 5.395 -3.201 1.00 0.00 C ATOM 0 H LEU A 17 -10.088 6.573 0.426 1.00 0.00 H new ATOM 0 HA LEU A 17 -10.394 7.627 -2.316 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -11.161 4.892 -1.268 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -10.966 5.390 -2.937 1.00 0.00 H new ATOM 0 HG LEU A 17 -8.603 5.463 -1.078 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -8.067 3.146 -1.723 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -9.576 3.238 -0.784 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -9.638 3.017 -2.549 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -7.383 5.020 -3.173 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -8.927 4.964 -4.056 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -8.392 6.481 -3.294 1.00 0.00 H new ATOM 204 N THR A 18 -12.938 7.600 -2.386 1.00 0.00 N ATOM 205 CA THR A 18 -14.363 7.897 -2.316 1.00 0.00 C ATOM 206 C THR A 18 -15.121 7.230 -3.459 1.00 0.00 C ATOM 207 O THR A 18 -14.872 7.514 -4.631 1.00 0.00 O ATOM 208 CB THR A 18 -14.623 9.415 -2.360 1.00 0.00 C ATOM 209 OG1 THR A 18 -13.787 10.083 -1.409 1.00 0.00 O ATOM 210 CG2 THR A 18 -16.083 9.723 -2.063 1.00 0.00 C ATOM 0 H THR A 18 -12.538 7.672 -3.321 1.00 0.00 H new ATOM 0 HA THR A 18 -14.722 7.501 -1.366 1.00 0.00 H new ATOM 0 HB THR A 18 -14.389 9.772 -3.363 1.00 0.00 H new ATOM 0 HG1 THR A 18 -13.957 11.047 -1.444 1.00 0.00 H new ATOM 0 HG21 THR A 18 -16.242 10.801 -2.100 1.00 0.00 H new ATOM 0 HG22 THR A 18 -16.716 9.237 -2.806 1.00 0.00 H new ATOM 0 HG23 THR A 18 -16.338 9.352 -1.070 1.00 0.00 H new ATOM 218 N LEU A 19 -16.046 6.343 -3.111 1.00 0.00 N ATOM 219 CA LEU A 19 -16.841 5.635 -4.108 1.00 0.00 C ATOM 220 C LEU A 19 -17.241 6.568 -5.247 1.00 0.00 C ATOM 221 O LEU A 19 -17.268 7.790 -5.101 1.00 0.00 O ATOM 222 CB LEU A 19 -18.091 5.037 -3.461 1.00 0.00 C ATOM 223 CG LEU A 19 -17.912 3.675 -2.788 1.00 0.00 C ATOM 224 CD1 LEU A 19 -17.789 2.576 -3.832 1.00 0.00 C ATOM 225 CD2 LEU A 19 -16.693 3.687 -1.877 1.00 0.00 C ATOM 0 H LEU A 19 -16.264 6.097 -2.146 1.00 0.00 H new ATOM 0 HA LEU A 19 -16.232 4.830 -4.519 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -18.463 5.741 -2.717 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -18.862 4.944 -4.226 1.00 0.00 H new ATOM 0 HG LEU A 19 -18.794 3.473 -2.180 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -17.662 1.614 -3.335 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -18.691 2.552 -4.443 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -16.925 2.773 -4.467 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -16.581 2.710 -1.406 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -15.802 3.912 -2.464 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -16.822 4.448 -1.107 1.00 0.00 H new ATOM 237 N PRO A 20 -17.561 5.979 -6.409 1.00 0.00 N ATOM 238 CA PRO A 20 -17.532 4.526 -6.595 1.00 0.00 C ATOM 239 C PRO A 20 -16.112 3.969 -6.592 1.00 0.00 C ATOM 240 O PRO A 20 -15.911 2.755 -6.591 1.00 0.00 O ATOM 241 CB PRO A 20 -18.180 4.330 -7.968 1.00 0.00 C ATOM 242 CG PRO A 20 -17.944 5.615 -8.684 1.00 0.00 C ATOM 243 CD PRO A 20 -17.976 6.688 -7.631 1.00 0.00 C ATOM 0 HA PRO A 20 -18.045 4.002 -5.788 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -17.732 3.491 -8.501 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -19.245 4.117 -7.877 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -16.984 5.603 -9.200 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -18.710 5.787 -9.440 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -17.297 7.507 -7.871 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -18.972 7.119 -7.527 1.00 0.00 H new ATOM 251 N VAL A 21 -15.130 4.865 -6.590 1.00 0.00 N ATOM 252 CA VAL A 21 -13.729 4.464 -6.585 1.00 0.00 C ATOM 253 C VAL A 21 -13.469 3.386 -5.538 1.00 0.00 C ATOM 254 O VAL A 21 -13.184 3.689 -4.379 1.00 0.00 O ATOM 255 CB VAL A 21 -12.802 5.663 -6.312 1.00 0.00 C ATOM 256 CG1 VAL A 21 -11.347 5.220 -6.289 1.00 0.00 C ATOM 257 CG2 VAL A 21 -13.020 6.752 -7.352 1.00 0.00 C ATOM 0 H VAL A 21 -15.280 5.874 -6.592 1.00 0.00 H new ATOM 0 HA VAL A 21 -13.511 4.065 -7.576 1.00 0.00 H new ATOM 0 HB VAL A 21 -13.047 6.073 -5.332 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -10.708 6.081 -6.095 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -11.205 4.478 -5.503 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -11.084 4.783 -7.252 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -12.357 7.592 -7.144 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -12.804 6.356 -8.344 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -14.056 7.089 -7.314 1.00 0.00 H new ATOM 267 N ASP A 22 -13.570 2.129 -5.954 1.00 0.00 N ATOM 268 CA ASP A 22 -13.344 1.005 -5.052 1.00 0.00 C ATOM 269 C ASP A 22 -12.002 0.338 -5.339 1.00 0.00 C ATOM 270 O ASP A 22 -11.885 -0.886 -5.297 1.00 0.00 O ATOM 271 CB ASP A 22 -14.474 -0.017 -5.184 1.00 0.00 C ATOM 272 CG ASP A 22 -14.826 -0.308 -6.629 1.00 0.00 C ATOM 273 OD1 ASP A 22 -13.920 -0.235 -7.487 1.00 0.00 O ATOM 274 OD2 ASP A 22 -16.006 -0.610 -6.903 1.00 0.00 O ATOM 0 H ASP A 22 -13.807 1.862 -6.910 1.00 0.00 H new ATOM 0 HA ASP A 22 -13.328 1.388 -4.032 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -14.181 -0.944 -4.691 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -15.358 0.354 -4.666 1.00 0.00 H new ATOM 279 N SER A 23 -10.994 1.153 -5.633 1.00 0.00 N ATOM 280 CA SER A 23 -9.661 0.642 -5.932 1.00 0.00 C ATOM 281 C SER A 23 -8.604 1.719 -5.711 1.00 0.00 C ATOM 282 O SER A 23 -8.848 2.903 -5.942 1.00 0.00 O ATOM 283 CB SER A 23 -9.598 0.138 -7.376 1.00 0.00 C ATOM 284 OG SER A 23 -9.857 1.186 -8.294 1.00 0.00 O ATOM 0 H SER A 23 -11.075 2.169 -5.671 1.00 0.00 H new ATOM 0 HA SER A 23 -9.456 -0.187 -5.255 1.00 0.00 H new ATOM 0 HB2 SER A 23 -8.614 -0.288 -7.573 1.00 0.00 H new ATOM 0 HB3 SER A 23 -10.325 -0.662 -7.517 1.00 0.00 H new ATOM 0 HG SER A 23 -9.809 0.839 -9.209 1.00 0.00 H new ATOM 290 N THR A 24 -7.426 1.299 -5.260 1.00 0.00 N ATOM 291 CA THR A 24 -6.330 2.226 -5.006 1.00 0.00 C ATOM 292 C THR A 24 -4.985 1.594 -5.345 1.00 0.00 C ATOM 293 O THR A 24 -4.898 0.393 -5.602 1.00 0.00 O ATOM 294 CB THR A 24 -6.312 2.684 -3.535 1.00 0.00 C ATOM 295 OG1 THR A 24 -5.460 3.826 -3.388 1.00 0.00 O ATOM 296 CG2 THR A 24 -5.831 1.564 -2.625 1.00 0.00 C ATOM 0 H THR A 24 -7.207 0.323 -5.063 1.00 0.00 H new ATOM 0 HA THR A 24 -6.494 3.092 -5.648 1.00 0.00 H new ATOM 0 HB THR A 24 -7.329 2.951 -3.248 1.00 0.00 H new ATOM 0 HG1 THR A 24 -5.582 4.426 -4.154 1.00 0.00 H new ATOM 0 HG21 THR A 24 -5.827 1.911 -1.592 1.00 0.00 H new ATOM 0 HG22 THR A 24 -6.499 0.708 -2.717 1.00 0.00 H new ATOM 0 HG23 THR A 24 -4.822 1.269 -2.913 1.00 0.00 H new ATOM 304 N THR A 25 -3.936 2.411 -5.346 1.00 0.00 N ATOM 305 CA THR A 25 -2.595 1.932 -5.655 1.00 0.00 C ATOM 306 C THR A 25 -1.604 2.332 -4.567 1.00 0.00 C ATOM 307 O THR A 25 -1.530 3.498 -4.179 1.00 0.00 O ATOM 308 CB THR A 25 -2.101 2.477 -7.008 1.00 0.00 C ATOM 309 OG1 THR A 25 -2.217 3.904 -7.033 1.00 0.00 O ATOM 310 CG2 THR A 25 -2.899 1.879 -8.156 1.00 0.00 C ATOM 0 H THR A 25 -3.990 3.408 -5.136 1.00 0.00 H new ATOM 0 HA THR A 25 -2.653 0.845 -5.709 1.00 0.00 H new ATOM 0 HB THR A 25 -1.055 2.195 -7.128 1.00 0.00 H new ATOM 0 HG1 THR A 25 -2.104 4.257 -6.126 1.00 0.00 H new ATOM 0 HG21 THR A 25 -2.532 2.279 -9.101 1.00 0.00 H new ATOM 0 HG22 THR A 25 -2.786 0.795 -8.152 1.00 0.00 H new ATOM 0 HG23 THR A 25 -3.952 2.134 -8.039 1.00 0.00 H new ATOM 318 N LEU A 26 -0.844 1.358 -4.079 1.00 0.00 N ATOM 319 CA LEU A 26 0.144 1.608 -3.035 1.00 0.00 C ATOM 320 C LEU A 26 1.556 1.352 -3.550 1.00 0.00 C ATOM 321 O LEU A 26 2.070 0.237 -3.455 1.00 0.00 O ATOM 322 CB LEU A 26 -0.136 0.725 -1.818 1.00 0.00 C ATOM 323 CG LEU A 26 -1.547 0.812 -1.235 1.00 0.00 C ATOM 324 CD1 LEU A 26 -1.912 -0.482 -0.524 1.00 0.00 C ATOM 325 CD2 LEU A 26 -1.658 1.995 -0.284 1.00 0.00 C ATOM 0 H LEU A 26 -0.893 0.388 -4.389 1.00 0.00 H new ATOM 0 HA LEU A 26 0.069 2.655 -2.741 1.00 0.00 H new ATOM 0 HB2 LEU A 26 0.058 -0.311 -2.094 1.00 0.00 H new ATOM 0 HB3 LEU A 26 0.576 0.985 -1.034 1.00 0.00 H new ATOM 0 HG LEU A 26 -2.250 0.962 -2.055 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -2.919 -0.401 -0.116 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -1.873 -1.310 -1.232 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -1.206 -0.664 0.286 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -2.669 2.042 0.122 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -0.945 1.874 0.531 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -1.440 2.917 -0.823 1.00 0.00 H new ATOM 337 N ASP A 27 2.180 2.392 -4.093 1.00 0.00 N ATOM 338 CA ASP A 27 3.536 2.280 -4.619 1.00 0.00 C ATOM 339 C ASP A 27 4.554 2.810 -3.615 1.00 0.00 C ATOM 340 O ASP A 27 4.381 3.890 -3.051 1.00 0.00 O ATOM 341 CB ASP A 27 3.657 3.044 -5.939 1.00 0.00 C ATOM 342 CG ASP A 27 3.995 4.507 -5.732 1.00 0.00 C ATOM 343 OD1 ASP A 27 3.086 5.280 -5.365 1.00 0.00 O ATOM 344 OD2 ASP A 27 5.170 4.880 -5.938 1.00 0.00 O ATOM 0 H ASP A 27 1.769 3.321 -4.180 1.00 0.00 H new ATOM 0 HA ASP A 27 3.745 1.225 -4.797 1.00 0.00 H new ATOM 0 HB2 ASP A 27 4.427 2.580 -6.555 1.00 0.00 H new ATOM 0 HB3 ASP A 27 2.719 2.965 -6.488 1.00 0.00 H new ATOM 349 N GLY A 28 5.617 2.042 -3.396 1.00 0.00 N ATOM 350 CA GLY A 28 6.647 2.450 -2.459 1.00 0.00 C ATOM 351 C GLY A 28 7.927 2.873 -3.152 1.00 0.00 C ATOM 352 O GLY A 28 9.018 2.721 -2.603 1.00 0.00 O ATOM 0 H GLY A 28 5.783 1.144 -3.851 1.00 0.00 H new ATOM 0 HA2 GLY A 28 6.276 3.276 -1.853 1.00 0.00 H new ATOM 0 HA3 GLY A 28 6.861 1.626 -1.778 1.00 0.00 H new ATOM 493 N ILE A 38 15.828 -3.988 -3.294 1.00 0.00 N ATOM 494 CA ILE A 38 15.664 -5.056 -4.272 1.00 0.00 C ATOM 495 C ILE A 38 14.554 -6.016 -3.857 1.00 0.00 C ATOM 496 O ILE A 38 14.505 -7.158 -4.313 1.00 0.00 O ATOM 497 CB ILE A 38 16.969 -5.850 -4.465 1.00 0.00 C ATOM 498 CG1 ILE A 38 17.468 -6.386 -3.121 1.00 0.00 C ATOM 499 CG2 ILE A 38 18.029 -4.976 -5.119 1.00 0.00 C ATOM 500 CD1 ILE A 38 18.472 -7.510 -3.254 1.00 0.00 C ATOM 0 HA ILE A 38 15.396 -4.580 -5.215 1.00 0.00 H new ATOM 0 HB ILE A 38 16.769 -6.697 -5.121 1.00 0.00 H new ATOM 0 HG12 ILE A 38 17.921 -5.569 -2.559 1.00 0.00 H new ATOM 0 HG13 ILE A 38 16.615 -6.738 -2.540 1.00 0.00 H new ATOM 0 HG21 ILE A 38 18.946 -5.551 -5.249 1.00 0.00 H new ATOM 0 HG22 ILE A 38 17.672 -4.638 -6.092 1.00 0.00 H new ATOM 0 HG23 ILE A 38 18.230 -4.112 -4.486 1.00 0.00 H new ATOM 0 HD11 ILE A 38 18.782 -7.840 -2.263 1.00 0.00 H new ATOM 0 HD12 ILE A 38 18.016 -8.344 -3.788 1.00 0.00 H new ATOM 0 HD13 ILE A 38 19.342 -7.157 -3.807 1.00 0.00 H new ATOM 512 N SER A 39 13.665 -5.544 -2.989 1.00 0.00 N ATOM 513 CA SER A 39 12.556 -6.361 -2.510 1.00 0.00 C ATOM 514 C SER A 39 11.346 -5.494 -2.177 1.00 0.00 C ATOM 515 O SER A 39 11.488 -4.370 -1.694 1.00 0.00 O ATOM 516 CB SER A 39 12.980 -7.161 -1.277 1.00 0.00 C ATOM 517 OG SER A 39 11.914 -7.962 -0.797 1.00 0.00 O ATOM 0 H SER A 39 13.691 -4.600 -2.603 1.00 0.00 H new ATOM 0 HA SER A 39 12.277 -7.053 -3.305 1.00 0.00 H new ATOM 0 HB2 SER A 39 13.831 -7.794 -1.526 1.00 0.00 H new ATOM 0 HB3 SER A 39 13.308 -6.479 -0.493 1.00 0.00 H new ATOM 0 HG SER A 39 12.261 -8.835 -0.519 1.00 0.00 H new ATOM 523 N TYR A 40 10.156 -6.024 -2.438 1.00 0.00 N ATOM 524 CA TYR A 40 8.921 -5.298 -2.169 1.00 0.00 C ATOM 525 C TYR A 40 7.789 -6.260 -1.821 1.00 0.00 C ATOM 526 O TYR A 40 7.572 -7.258 -2.510 1.00 0.00 O ATOM 527 CB TYR A 40 8.529 -4.449 -3.380 1.00 0.00 C ATOM 528 CG TYR A 40 9.425 -3.250 -3.593 1.00 0.00 C ATOM 529 CD1 TYR A 40 9.205 -2.063 -2.904 1.00 0.00 C ATOM 530 CD2 TYR A 40 10.489 -3.302 -4.484 1.00 0.00 C ATOM 531 CE1 TYR A 40 10.021 -0.964 -3.096 1.00 0.00 C ATOM 532 CE2 TYR A 40 11.311 -2.209 -4.682 1.00 0.00 C ATOM 533 CZ TYR A 40 11.072 -1.043 -3.986 1.00 0.00 C ATOM 534 OH TYR A 40 11.887 0.049 -4.180 1.00 0.00 O ATOM 0 H TYR A 40 10.021 -6.954 -2.835 1.00 0.00 H new ATOM 0 HA TYR A 40 9.093 -4.643 -1.315 1.00 0.00 H new ATOM 0 HB2 TYR A 40 8.552 -5.073 -4.274 1.00 0.00 H new ATOM 0 HB3 TYR A 40 7.501 -4.107 -3.256 1.00 0.00 H new ATOM 0 HD1 TYR A 40 8.383 -1.998 -2.207 1.00 0.00 H new ATOM 0 HD2 TYR A 40 10.677 -4.213 -5.032 1.00 0.00 H new ATOM 0 HE1 TYR A 40 9.837 -0.049 -2.553 1.00 0.00 H new ATOM 0 HE2 TYR A 40 12.135 -2.268 -5.377 1.00 0.00 H new ATOM 0 HH TYR A 40 12.579 -0.172 -4.837 1.00 0.00 H new ATOM 544 N LEU A 41 7.069 -5.953 -0.748 1.00 0.00 N ATOM 545 CA LEU A 41 5.958 -6.789 -0.307 1.00 0.00 C ATOM 546 C LEU A 41 4.791 -5.933 0.176 1.00 0.00 C ATOM 547 O LEU A 41 4.990 -4.888 0.795 1.00 0.00 O ATOM 548 CB LEU A 41 6.413 -7.728 0.811 1.00 0.00 C ATOM 549 CG LEU A 41 5.333 -8.629 1.412 1.00 0.00 C ATOM 550 CD1 LEU A 41 4.916 -9.700 0.415 1.00 0.00 C ATOM 551 CD2 LEU A 41 5.827 -9.265 2.703 1.00 0.00 C ATOM 0 H LEU A 41 7.235 -5.131 -0.167 1.00 0.00 H new ATOM 0 HA LEU A 41 5.622 -7.382 -1.157 1.00 0.00 H new ATOM 0 HB2 LEU A 41 7.212 -8.361 0.424 1.00 0.00 H new ATOM 0 HB3 LEU A 41 6.843 -7.126 1.612 1.00 0.00 H new ATOM 0 HG LEU A 41 4.462 -8.016 1.642 1.00 0.00 H new ATOM 0 HD11 LEU A 41 4.147 -10.332 0.860 1.00 0.00 H new ATOM 0 HD12 LEU A 41 4.521 -9.226 -0.484 1.00 0.00 H new ATOM 0 HD13 LEU A 41 5.780 -10.310 0.154 1.00 0.00 H new ATOM 0 HD21 LEU A 41 5.046 -9.903 3.117 1.00 0.00 H new ATOM 0 HD22 LEU A 41 6.714 -9.865 2.497 1.00 0.00 H new ATOM 0 HD23 LEU A 41 6.076 -8.484 3.421 1.00 0.00 H new ATOM 563 N TRP A 42 3.575 -6.385 -0.109 1.00 0.00 N ATOM 564 CA TRP A 42 2.376 -5.661 0.299 1.00 0.00 C ATOM 565 C TRP A 42 1.344 -6.611 0.897 1.00 0.00 C ATOM 566 O TRP A 42 0.859 -7.518 0.222 1.00 0.00 O ATOM 567 CB TRP A 42 1.773 -4.919 -0.894 1.00 0.00 C ATOM 568 CG TRP A 42 2.467 -3.627 -1.203 1.00 0.00 C ATOM 569 CD1 TRP A 42 3.396 -3.408 -2.180 1.00 0.00 C ATOM 570 CD2 TRP A 42 2.289 -2.376 -0.529 1.00 0.00 C ATOM 571 NE1 TRP A 42 3.806 -2.097 -2.154 1.00 0.00 N ATOM 572 CE2 TRP A 42 3.141 -1.442 -1.151 1.00 0.00 C ATOM 573 CE3 TRP A 42 1.492 -1.953 0.538 1.00 0.00 C ATOM 574 CZ2 TRP A 42 3.217 -0.115 -0.739 1.00 0.00 C ATOM 575 CZ3 TRP A 42 1.569 -0.635 0.946 1.00 0.00 C ATOM 576 CH2 TRP A 42 2.425 0.272 0.308 1.00 0.00 C ATOM 0 H TRP A 42 3.393 -7.249 -0.620 1.00 0.00 H new ATOM 0 HA TRP A 42 2.661 -4.937 1.062 1.00 0.00 H new ATOM 0 HB2 TRP A 42 1.814 -5.564 -1.772 1.00 0.00 H new ATOM 0 HB3 TRP A 42 0.720 -4.719 -0.694 1.00 0.00 H new ATOM 0 HD1 TRP A 42 3.756 -4.156 -2.871 1.00 0.00 H new ATOM 0 HE1 TRP A 42 4.494 -1.679 -2.780 1.00 0.00 H new ATOM 0 HE3 TRP A 42 0.827 -2.644 1.035 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 3.878 0.585 -1.228 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 0.959 -0.298 1.771 1.00 0.00 H new ATOM 0 HH2 TRP A 42 2.461 1.296 0.649 1.00 0.00 H new ATOM 587 N GLU A 43 1.014 -6.396 2.167 1.00 0.00 N ATOM 588 CA GLU A 43 0.039 -7.235 2.854 1.00 0.00 C ATOM 589 C GLU A 43 -0.809 -6.407 3.816 1.00 0.00 C ATOM 590 O GLU A 43 -0.310 -5.491 4.471 1.00 0.00 O ATOM 591 CB GLU A 43 0.747 -8.357 3.617 1.00 0.00 C ATOM 592 CG GLU A 43 1.285 -9.458 2.718 1.00 0.00 C ATOM 593 CD GLU A 43 0.231 -10.488 2.362 1.00 0.00 C ATOM 594 OE1 GLU A 43 -0.066 -11.352 3.213 1.00 0.00 O ATOM 595 OE2 GLU A 43 -0.297 -10.429 1.232 1.00 0.00 O ATOM 0 H GLU A 43 1.407 -5.649 2.740 1.00 0.00 H new ATOM 0 HA GLU A 43 -0.618 -7.674 2.103 1.00 0.00 H new ATOM 0 HB2 GLU A 43 1.571 -7.932 4.190 1.00 0.00 H new ATOM 0 HB3 GLU A 43 0.051 -8.792 4.334 1.00 0.00 H new ATOM 0 HG2 GLU A 43 1.678 -9.015 1.803 1.00 0.00 H new ATOM 0 HG3 GLU A 43 2.118 -9.954 3.216 1.00 0.00 H new ATOM 602 N LYS A 44 -2.093 -6.736 3.896 1.00 0.00 N ATOM 603 CA LYS A 44 -3.012 -6.025 4.777 1.00 0.00 C ATOM 604 C LYS A 44 -2.902 -6.541 6.208 1.00 0.00 C ATOM 605 O LYS A 44 -3.275 -7.677 6.501 1.00 0.00 O ATOM 606 CB LYS A 44 -4.451 -6.179 4.278 1.00 0.00 C ATOM 607 CG LYS A 44 -5.486 -5.576 5.213 1.00 0.00 C ATOM 608 CD LYS A 44 -6.777 -5.252 4.480 1.00 0.00 C ATOM 609 CE LYS A 44 -7.698 -6.460 4.411 1.00 0.00 C ATOM 610 NZ LYS A 44 -9.048 -6.101 3.896 1.00 0.00 N ATOM 0 H LYS A 44 -2.522 -7.491 3.361 1.00 0.00 H new ATOM 0 HA LYS A 44 -2.741 -4.969 4.768 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -4.540 -5.708 3.299 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -4.669 -7.238 4.143 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -5.693 -6.272 6.026 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -5.085 -4.669 5.665 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -7.288 -4.432 4.986 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -6.547 -4.910 3.471 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -7.254 -7.219 3.767 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -7.794 -6.901 5.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -9.684 -6.918 3.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -9.427 -5.302 4.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -8.977 -5.832 2.894 1.00 0.00 H new ATOM 624 N THR A 45 -2.387 -5.698 7.098 1.00 0.00 N ATOM 625 CA THR A 45 -2.227 -6.068 8.499 1.00 0.00 C ATOM 626 C THR A 45 -3.566 -6.048 9.229 1.00 0.00 C ATOM 627 O THR A 45 -3.829 -6.893 10.084 1.00 0.00 O ATOM 628 CB THR A 45 -1.247 -5.125 9.221 1.00 0.00 C ATOM 629 OG1 THR A 45 -1.398 -3.789 8.726 1.00 0.00 O ATOM 630 CG2 THR A 45 0.190 -5.584 9.025 1.00 0.00 C ATOM 0 H THR A 45 -2.073 -4.754 6.873 1.00 0.00 H new ATOM 0 HA THR A 45 -1.823 -7.080 8.515 1.00 0.00 H new ATOM 0 HB THR A 45 -1.476 -5.146 10.286 1.00 0.00 H new ATOM 0 HG1 THR A 45 -0.519 -3.428 8.484 1.00 0.00 H new ATOM 0 HG21 THR A 45 0.864 -4.902 9.544 1.00 0.00 H new ATOM 0 HG22 THR A 45 0.309 -6.589 9.429 1.00 0.00 H new ATOM 0 HG23 THR A 45 0.428 -5.590 7.961 1.00 0.00 H new ATOM 638 N GLN A 46 -4.407 -5.078 8.885 1.00 0.00 N ATOM 639 CA GLN A 46 -5.719 -4.949 9.508 1.00 0.00 C ATOM 640 C GLN A 46 -6.786 -4.623 8.469 1.00 0.00 C ATOM 641 O GLN A 46 -6.474 -4.317 7.319 1.00 0.00 O ATOM 642 CB GLN A 46 -5.690 -3.864 10.586 1.00 0.00 C ATOM 643 CG GLN A 46 -5.340 -4.388 11.969 1.00 0.00 C ATOM 644 CD GLN A 46 -4.977 -3.281 12.938 1.00 0.00 C ATOM 645 OE1 GLN A 46 -3.814 -2.889 13.044 1.00 0.00 O ATOM 646 NE2 GLN A 46 -5.972 -2.769 13.653 1.00 0.00 N ATOM 0 H GLN A 46 -4.203 -4.371 8.179 1.00 0.00 H new ATOM 0 HA GLN A 46 -5.969 -5.904 9.970 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -4.965 -3.101 10.302 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -6.665 -3.378 10.627 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -6.186 -4.950 12.365 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -4.505 -5.084 11.889 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -6.921 -3.124 13.534 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -5.787 -2.021 14.322 1.00 0.00 H new ATOM 655 N GLY A 47 -8.048 -4.690 8.882 1.00 0.00 N ATOM 656 CA GLY A 47 -9.143 -4.399 7.975 1.00 0.00 C ATOM 657 C GLY A 47 -9.989 -5.621 7.677 1.00 0.00 C ATOM 658 O GLY A 47 -9.627 -6.749 8.010 1.00 0.00 O ATOM 0 H GLY A 47 -8.332 -4.941 9.829 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -9.773 -3.622 8.408 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -8.742 -4.002 7.042 1.00 0.00 H new ATOM 662 N PRO A 48 -11.147 -5.401 7.036 1.00 0.00 N ATOM 663 CA PRO A 48 -12.071 -6.482 6.680 1.00 0.00 C ATOM 664 C PRO A 48 -11.518 -7.380 5.579 1.00 0.00 C ATOM 665 O PRO A 48 -11.336 -6.943 4.442 1.00 0.00 O ATOM 666 CB PRO A 48 -13.315 -5.737 6.188 1.00 0.00 C ATOM 667 CG PRO A 48 -12.805 -4.419 5.717 1.00 0.00 C ATOM 668 CD PRO A 48 -11.641 -4.082 6.608 1.00 0.00 C ATOM 0 HA PRO A 48 -12.261 -7.149 7.521 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -13.810 -6.281 5.383 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -14.046 -5.616 6.987 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -12.495 -4.471 4.673 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -13.580 -3.655 5.782 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -10.875 -3.520 6.073 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -11.949 -3.473 7.458 1.00 0.00 H new ATOM 676 N ASP A 49 -11.253 -8.635 5.923 1.00 0.00 N ATOM 677 CA ASP A 49 -10.722 -9.595 4.962 1.00 0.00 C ATOM 678 C ASP A 49 -11.672 -9.764 3.781 1.00 0.00 C ATOM 679 O ASP A 49 -12.835 -10.127 3.953 1.00 0.00 O ATOM 680 CB ASP A 49 -10.484 -10.946 5.638 1.00 0.00 C ATOM 681 CG ASP A 49 -10.336 -12.076 4.638 1.00 0.00 C ATOM 682 OD1 ASP A 49 -9.465 -11.972 3.749 1.00 0.00 O ATOM 683 OD2 ASP A 49 -11.091 -13.065 4.745 1.00 0.00 O ATOM 0 H ASP A 49 -11.397 -9.012 6.860 1.00 0.00 H new ATOM 0 HA ASP A 49 -9.772 -9.211 4.589 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -9.585 -10.888 6.252 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -11.315 -11.165 6.309 1.00 0.00 H new ATOM 688 N GLY A 50 -11.168 -9.498 2.579 1.00 0.00 N ATOM 689 CA GLY A 50 -11.986 -9.625 1.387 1.00 0.00 C ATOM 690 C GLY A 50 -11.328 -9.015 0.165 1.00 0.00 C ATOM 691 O GLY A 50 -11.275 -9.637 -0.896 1.00 0.00 O ATOM 0 H GLY A 50 -10.208 -9.197 2.410 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -12.188 -10.680 1.199 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -12.948 -9.142 1.557 1.00 0.00 H new ATOM 695 N VAL A 51 -10.826 -7.793 0.313 1.00 0.00 N ATOM 696 CA VAL A 51 -10.169 -7.098 -0.787 1.00 0.00 C ATOM 697 C VAL A 51 -9.159 -8.003 -1.484 1.00 0.00 C ATOM 698 O VAL A 51 -8.781 -9.049 -0.956 1.00 0.00 O ATOM 699 CB VAL A 51 -9.450 -5.826 -0.299 1.00 0.00 C ATOM 700 CG1 VAL A 51 -10.362 -5.013 0.607 1.00 0.00 C ATOM 701 CG2 VAL A 51 -8.157 -6.187 0.417 1.00 0.00 C ATOM 0 H VAL A 51 -10.862 -7.264 1.184 1.00 0.00 H new ATOM 0 HA VAL A 51 -10.950 -6.817 -1.494 1.00 0.00 H new ATOM 0 HB VAL A 51 -9.200 -5.215 -1.166 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -9.838 -4.118 0.942 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -11.258 -4.724 0.057 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -10.645 -5.613 1.472 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -7.662 -5.277 0.755 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -8.381 -6.819 1.276 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -7.500 -6.725 -0.267 1.00 0.00 H new ATOM 711 N GLN A 52 -8.726 -7.594 -2.672 1.00 0.00 N ATOM 712 CA GLN A 52 -7.759 -8.368 -3.441 1.00 0.00 C ATOM 713 C GLN A 52 -6.538 -7.524 -3.788 1.00 0.00 C ATOM 714 O GLN A 52 -6.660 -6.452 -4.384 1.00 0.00 O ATOM 715 CB GLN A 52 -8.405 -8.904 -4.720 1.00 0.00 C ATOM 716 CG GLN A 52 -9.053 -10.268 -4.550 1.00 0.00 C ATOM 717 CD GLN A 52 -9.514 -10.864 -5.865 1.00 0.00 C ATOM 718 OE1 GLN A 52 -8.730 -11.478 -6.590 1.00 0.00 O ATOM 719 NE2 GLN A 52 -10.791 -10.685 -6.181 1.00 0.00 N ATOM 0 H GLN A 52 -9.030 -6.731 -3.123 1.00 0.00 H new ATOM 0 HA GLN A 52 -7.433 -9.208 -2.827 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -9.158 -8.194 -5.062 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -7.647 -8.966 -5.501 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -8.343 -10.947 -4.077 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -9.906 -10.179 -3.877 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -11.405 -10.170 -5.550 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -11.158 -11.063 -7.054 1.00 0.00 H new ATOM 728 N LEU A 53 -5.361 -8.013 -3.413 1.00 0.00 N ATOM 729 CA LEU A 53 -4.116 -7.302 -3.685 1.00 0.00 C ATOM 730 C LEU A 53 -3.423 -7.870 -4.920 1.00 0.00 C ATOM 731 O LEU A 53 -3.248 -9.082 -5.042 1.00 0.00 O ATOM 732 CB LEU A 53 -3.181 -7.390 -2.477 1.00 0.00 C ATOM 733 CG LEU A 53 -3.305 -6.264 -1.450 1.00 0.00 C ATOM 734 CD1 LEU A 53 -2.966 -6.773 -0.057 1.00 0.00 C ATOM 735 CD2 LEU A 53 -2.406 -5.096 -1.827 1.00 0.00 C ATOM 0 H LEU A 53 -5.242 -8.898 -2.920 1.00 0.00 H new ATOM 0 HA LEU A 53 -4.358 -6.256 -3.875 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -3.362 -8.338 -1.971 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -2.153 -7.413 -2.839 1.00 0.00 H new ATOM 0 HG LEU A 53 -4.337 -5.914 -1.446 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -3.060 -5.958 0.661 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -3.652 -7.576 0.214 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -1.943 -7.150 -0.046 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -2.508 -4.304 -1.085 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -1.369 -5.431 -1.861 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -2.696 -4.715 -2.806 1.00 0.00 H new ATOM 747 N GLU A 54 -3.031 -6.986 -5.832 1.00 0.00 N ATOM 748 CA GLU A 54 -2.356 -7.400 -7.056 1.00 0.00 C ATOM 749 C GLU A 54 -0.941 -6.832 -7.117 1.00 0.00 C ATOM 750 O GLU A 54 -0.707 -5.681 -6.750 1.00 0.00 O ATOM 751 CB GLU A 54 -3.153 -6.947 -8.282 1.00 0.00 C ATOM 752 CG GLU A 54 -4.213 -7.943 -8.720 1.00 0.00 C ATOM 753 CD GLU A 54 -5.405 -7.274 -9.378 1.00 0.00 C ATOM 754 OE1 GLU A 54 -5.197 -6.491 -10.328 1.00 0.00 O ATOM 755 OE2 GLU A 54 -6.546 -7.535 -8.942 1.00 0.00 O ATOM 0 H GLU A 54 -3.169 -5.979 -5.746 1.00 0.00 H new ATOM 0 HA GLU A 54 -2.292 -8.488 -7.055 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -3.632 -5.993 -8.062 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -2.464 -6.774 -9.109 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -3.771 -8.656 -9.416 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -4.552 -8.511 -7.854 1.00 0.00 H new ATOM 762 N ASN A 55 -0.001 -7.648 -7.583 1.00 0.00 N ATOM 763 CA ASN A 55 1.391 -7.228 -7.691 1.00 0.00 C ATOM 764 C ASN A 55 1.956 -6.859 -6.323 1.00 0.00 C ATOM 765 O ASN A 55 2.768 -5.942 -6.201 1.00 0.00 O ATOM 766 CB ASN A 55 1.513 -6.036 -8.643 1.00 0.00 C ATOM 767 CG ASN A 55 1.735 -6.466 -10.081 1.00 0.00 C ATOM 768 OD1 ASN A 55 2.757 -7.069 -10.409 1.00 0.00 O ATOM 769 ND2 ASN A 55 0.777 -6.156 -10.946 1.00 0.00 N ATOM 0 H ASN A 55 -0.178 -8.604 -7.892 1.00 0.00 H new ATOM 0 HA ASN A 55 1.967 -8.064 -8.089 1.00 0.00 H new ATOM 0 HB2 ASN A 55 0.608 -5.432 -8.583 1.00 0.00 H new ATOM 0 HB3 ASN A 55 2.341 -5.403 -8.324 1.00 0.00 H new ATOM 0 HD21 ASN A 55 0.871 -6.419 -11.927 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -0.053 -5.655 -10.630 1.00 0.00 H new ATOM 776 N ALA A 56 1.520 -7.580 -5.295 1.00 0.00 N ATOM 777 CA ALA A 56 1.984 -7.331 -3.936 1.00 0.00 C ATOM 778 C ALA A 56 3.490 -7.541 -3.822 1.00 0.00 C ATOM 779 O ALA A 56 4.148 -6.940 -2.974 1.00 0.00 O ATOM 780 CB ALA A 56 1.248 -8.231 -2.954 1.00 0.00 C ATOM 0 H ALA A 56 0.846 -8.341 -5.378 1.00 0.00 H new ATOM 0 HA ALA A 56 1.769 -6.291 -3.691 1.00 0.00 H new ATOM 0 HB1 ALA A 56 1.604 -8.034 -1.943 1.00 0.00 H new ATOM 0 HB2 ALA A 56 0.178 -8.029 -3.007 1.00 0.00 H new ATOM 0 HB3 ALA A 56 1.434 -9.275 -3.208 1.00 0.00 H new ATOM 786 N ASN A 57 4.030 -8.398 -4.683 1.00 0.00 N ATOM 787 CA ASN A 57 5.459 -8.688 -4.678 1.00 0.00 C ATOM 788 C ASN A 57 6.222 -7.677 -5.528 1.00 0.00 C ATOM 789 O ASN A 57 7.358 -7.923 -5.934 1.00 0.00 O ATOM 790 CB ASN A 57 5.715 -10.104 -5.197 1.00 0.00 C ATOM 791 CG ASN A 57 4.800 -11.129 -4.556 1.00 0.00 C ATOM 792 OD1 ASN A 57 3.636 -11.262 -4.936 1.00 0.00 O ATOM 793 ND2 ASN A 57 5.322 -11.860 -3.578 1.00 0.00 N ATOM 0 H ASN A 57 3.500 -8.903 -5.393 1.00 0.00 H new ATOM 0 HA ASN A 57 5.816 -8.615 -3.651 1.00 0.00 H new ATOM 0 HB2 ASN A 57 5.576 -10.122 -6.278 1.00 0.00 H new ATOM 0 HB3 ASN A 57 6.753 -10.377 -5.004 1.00 0.00 H new ATOM 0 HD21 ASN A 57 4.754 -12.565 -3.109 1.00 0.00 H new ATOM 0 HD22 ASN A 57 6.291 -11.716 -3.295 1.00 0.00 H new ATOM 800 N SER A 58 5.590 -6.538 -5.793 1.00 0.00 N ATOM 801 CA SER A 58 6.208 -5.491 -6.598 1.00 0.00 C ATOM 802 C SER A 58 6.099 -4.137 -5.903 1.00 0.00 C ATOM 803 O SER A 58 5.118 -3.858 -5.212 1.00 0.00 O ATOM 804 CB SER A 58 5.550 -5.423 -7.977 1.00 0.00 C ATOM 805 OG SER A 58 6.205 -6.279 -8.897 1.00 0.00 O ATOM 0 H SER A 58 4.651 -6.317 -5.462 1.00 0.00 H new ATOM 0 HA SER A 58 7.263 -5.735 -6.719 1.00 0.00 H new ATOM 0 HB2 SER A 58 4.500 -5.705 -7.897 1.00 0.00 H new ATOM 0 HB3 SER A 58 5.577 -4.398 -8.346 1.00 0.00 H new ATOM 0 HG SER A 58 5.765 -6.219 -9.770 1.00 0.00 H new ATOM 811 N SER A 59 7.113 -3.298 -6.092 1.00 0.00 N ATOM 812 CA SER A 59 7.134 -1.974 -5.481 1.00 0.00 C ATOM 813 C SER A 59 5.754 -1.327 -5.540 1.00 0.00 C ATOM 814 O SER A 59 5.384 -0.546 -4.663 1.00 0.00 O ATOM 815 CB SER A 59 8.159 -1.082 -6.183 1.00 0.00 C ATOM 816 OG SER A 59 7.870 -0.962 -7.565 1.00 0.00 O ATOM 0 H SER A 59 7.930 -3.512 -6.663 1.00 0.00 H new ATOM 0 HA SER A 59 7.418 -2.088 -4.435 1.00 0.00 H new ATOM 0 HB2 SER A 59 8.162 -0.094 -5.722 1.00 0.00 H new ATOM 0 HB3 SER A 59 9.158 -1.498 -6.052 1.00 0.00 H new ATOM 0 HG SER A 59 8.539 -0.386 -7.990 1.00 0.00 H new ATOM 822 N VAL A 60 4.996 -1.656 -6.581 1.00 0.00 N ATOM 823 CA VAL A 60 3.657 -1.109 -6.756 1.00 0.00 C ATOM 824 C VAL A 60 2.595 -2.191 -6.594 1.00 0.00 C ATOM 825 O VAL A 60 2.684 -3.258 -7.201 1.00 0.00 O ATOM 826 CB VAL A 60 3.496 -0.450 -8.139 1.00 0.00 C ATOM 827 CG1 VAL A 60 2.091 0.111 -8.303 1.00 0.00 C ATOM 828 CG2 VAL A 60 4.540 0.639 -8.335 1.00 0.00 C ATOM 0 H VAL A 60 5.287 -2.300 -7.317 1.00 0.00 H new ATOM 0 HA VAL A 60 3.521 -0.352 -5.983 1.00 0.00 H new ATOM 0 HB VAL A 60 3.649 -1.210 -8.905 1.00 0.00 H new ATOM 0 HG11 VAL A 60 1.996 0.573 -9.286 1.00 0.00 H new ATOM 0 HG12 VAL A 60 1.364 -0.696 -8.209 1.00 0.00 H new ATOM 0 HG13 VAL A 60 1.905 0.858 -7.532 1.00 0.00 H new ATOM 0 HG21 VAL A 60 4.411 1.094 -9.317 1.00 0.00 H new ATOM 0 HG22 VAL A 60 4.421 1.400 -7.564 1.00 0.00 H new ATOM 0 HG23 VAL A 60 5.537 0.204 -8.264 1.00 0.00 H new ATOM 838 N ALA A 61 1.590 -1.908 -5.772 1.00 0.00 N ATOM 839 CA ALA A 61 0.509 -2.856 -5.532 1.00 0.00 C ATOM 840 C ALA A 61 -0.852 -2.205 -5.754 1.00 0.00 C ATOM 841 O ALA A 61 -0.971 -0.979 -5.766 1.00 0.00 O ATOM 842 CB ALA A 61 0.604 -3.418 -4.121 1.00 0.00 C ATOM 0 H ALA A 61 1.502 -1.030 -5.261 1.00 0.00 H new ATOM 0 HA ALA A 61 0.611 -3.674 -6.245 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -0.209 -4.125 -3.955 1.00 0.00 H new ATOM 0 HB2 ALA A 61 1.559 -3.928 -3.996 1.00 0.00 H new ATOM 0 HB3 ALA A 61 0.530 -2.604 -3.400 1.00 0.00 H new ATOM 848 N THR A 62 -1.877 -3.032 -5.931 1.00 0.00 N ATOM 849 CA THR A 62 -3.229 -2.537 -6.155 1.00 0.00 C ATOM 850 C THR A 62 -4.249 -3.344 -5.359 1.00 0.00 C ATOM 851 O THR A 62 -4.233 -4.574 -5.377 1.00 0.00 O ATOM 852 CB THR A 62 -3.605 -2.586 -7.648 1.00 0.00 C ATOM 853 OG1 THR A 62 -2.757 -1.708 -8.396 1.00 0.00 O ATOM 854 CG2 THR A 62 -5.060 -2.190 -7.853 1.00 0.00 C ATOM 0 H THR A 62 -1.796 -4.049 -5.924 1.00 0.00 H new ATOM 0 HA THR A 62 -3.246 -1.501 -5.817 1.00 0.00 H new ATOM 0 HB THR A 62 -3.470 -3.609 -8.000 1.00 0.00 H new ATOM 0 HG1 THR A 62 -3.002 -1.746 -9.344 1.00 0.00 H new ATOM 0 HG21 THR A 62 -5.302 -2.232 -8.915 1.00 0.00 H new ATOM 0 HG22 THR A 62 -5.705 -2.878 -7.306 1.00 0.00 H new ATOM 0 HG23 THR A 62 -5.216 -1.176 -7.485 1.00 0.00 H new ATOM 862 N VAL A 63 -5.136 -2.642 -4.660 1.00 0.00 N ATOM 863 CA VAL A 63 -6.165 -3.294 -3.859 1.00 0.00 C ATOM 864 C VAL A 63 -7.554 -3.036 -4.433 1.00 0.00 C ATOM 865 O VAL A 63 -7.991 -1.890 -4.542 1.00 0.00 O ATOM 866 CB VAL A 63 -6.128 -2.810 -2.397 1.00 0.00 C ATOM 867 CG1 VAL A 63 -7.297 -3.387 -1.614 1.00 0.00 C ATOM 868 CG2 VAL A 63 -4.804 -3.182 -1.747 1.00 0.00 C ATOM 0 H VAL A 63 -5.162 -1.623 -4.632 1.00 0.00 H new ATOM 0 HA VAL A 63 -5.957 -4.364 -3.886 1.00 0.00 H new ATOM 0 HB VAL A 63 -6.218 -1.724 -2.389 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -7.254 -3.034 -0.584 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -8.234 -3.065 -2.069 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -7.242 -4.476 -1.627 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -4.795 -2.833 -0.715 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -4.682 -4.265 -1.765 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -3.986 -2.715 -2.295 1.00 0.00 H new ATOM 878 N THR A 64 -8.246 -4.111 -4.799 1.00 0.00 N ATOM 879 CA THR A 64 -9.585 -4.002 -5.363 1.00 0.00 C ATOM 880 C THR A 64 -10.634 -4.543 -4.398 1.00 0.00 C ATOM 881 O THR A 64 -10.312 -5.273 -3.461 1.00 0.00 O ATOM 882 CB THR A 64 -9.696 -4.759 -6.700 1.00 0.00 C ATOM 883 OG1 THR A 64 -9.566 -6.168 -6.477 1.00 0.00 O ATOM 884 CG2 THR A 64 -8.625 -4.294 -7.675 1.00 0.00 C ATOM 0 H THR A 64 -7.901 -5.067 -4.715 1.00 0.00 H new ATOM 0 HA THR A 64 -9.768 -2.942 -5.538 1.00 0.00 H new ATOM 0 HB THR A 64 -10.674 -4.548 -7.132 1.00 0.00 H new ATOM 0 HG1 THR A 64 -9.639 -6.643 -7.331 1.00 0.00 H new ATOM 0 HG21 THR A 64 -8.723 -4.842 -8.612 1.00 0.00 H new ATOM 0 HG22 THR A 64 -8.744 -3.227 -7.865 1.00 0.00 H new ATOM 0 HG23 THR A 64 -7.639 -4.479 -7.248 1.00 0.00 H new ATOM 892 N GLY A 65 -11.891 -4.180 -4.632 1.00 0.00 N ATOM 893 CA GLY A 65 -12.968 -4.639 -3.775 1.00 0.00 C ATOM 894 C GLY A 65 -13.005 -3.906 -2.448 1.00 0.00 C ATOM 895 O GLY A 65 -13.285 -4.504 -1.408 1.00 0.00 O ATOM 0 H GLY A 65 -12.183 -3.576 -5.400 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -13.920 -4.503 -4.288 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -12.853 -5.708 -3.593 1.00 0.00 H new ATOM 899 N LEU A 66 -12.720 -2.609 -2.482 1.00 0.00 N ATOM 900 CA LEU A 66 -12.720 -1.794 -1.272 1.00 0.00 C ATOM 901 C LEU A 66 -14.118 -1.258 -0.977 1.00 0.00 C ATOM 902 O LEU A 66 -14.967 -1.191 -1.865 1.00 0.00 O ATOM 903 CB LEU A 66 -11.736 -0.632 -1.417 1.00 0.00 C ATOM 904 CG LEU A 66 -10.264 -1.014 -1.574 1.00 0.00 C ATOM 905 CD1 LEU A 66 -9.528 0.026 -2.404 1.00 0.00 C ATOM 906 CD2 LEU A 66 -9.606 -1.175 -0.212 1.00 0.00 C ATOM 0 H LEU A 66 -12.486 -2.099 -3.334 1.00 0.00 H new ATOM 0 HA LEU A 66 -12.409 -2.424 -0.439 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -12.031 -0.039 -2.282 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -11.832 0.011 -0.542 1.00 0.00 H new ATOM 0 HG LEU A 66 -10.211 -1.969 -2.096 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -8.482 -0.263 -2.505 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -9.983 0.092 -3.392 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -9.591 0.996 -1.911 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -8.559 -1.447 -0.344 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -9.671 -0.235 0.337 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -10.116 -1.958 0.348 1.00 0.00 H new ATOM 918 N GLN A 67 -14.347 -0.877 0.276 1.00 0.00 N ATOM 919 CA GLN A 67 -15.641 -0.346 0.687 1.00 0.00 C ATOM 920 C GLN A 67 -15.521 0.426 1.997 1.00 0.00 C ATOM 921 O GLN A 67 -14.503 0.348 2.685 1.00 0.00 O ATOM 922 CB GLN A 67 -16.656 -1.480 0.841 1.00 0.00 C ATOM 923 CG GLN A 67 -16.310 -2.460 1.951 1.00 0.00 C ATOM 924 CD GLN A 67 -17.089 -3.757 1.849 1.00 0.00 C ATOM 925 OE1 GLN A 67 -17.894 -3.940 0.935 1.00 0.00 O ATOM 926 NE2 GLN A 67 -16.853 -4.665 2.788 1.00 0.00 N ATOM 0 H GLN A 67 -13.654 -0.926 1.023 1.00 0.00 H new ATOM 0 HA GLN A 67 -15.987 0.339 -0.087 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -17.639 -1.052 1.039 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -16.728 -2.022 -0.102 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -15.243 -2.678 1.918 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -16.511 -1.995 2.916 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -16.177 -4.471 3.527 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -17.347 -5.557 2.771 1.00 0.00 H new ATOM 935 N VAL A 68 -16.567 1.172 2.336 1.00 0.00 N ATOM 936 CA VAL A 68 -16.580 1.959 3.564 1.00 0.00 C ATOM 937 C VAL A 68 -15.983 1.173 4.726 1.00 0.00 C ATOM 938 O VAL A 68 -16.580 0.213 5.212 1.00 0.00 O ATOM 939 CB VAL A 68 -18.009 2.397 3.936 1.00 0.00 C ATOM 940 CG1 VAL A 68 -18.001 3.208 5.223 1.00 0.00 C ATOM 941 CG2 VAL A 68 -18.634 3.192 2.799 1.00 0.00 C ATOM 0 H VAL A 68 -17.417 1.248 1.778 1.00 0.00 H new ATOM 0 HA VAL A 68 -15.974 2.845 3.378 1.00 0.00 H new ATOM 0 HB VAL A 68 -18.613 1.505 4.101 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -19.019 3.509 5.470 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -17.595 2.602 6.033 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -17.383 4.096 5.090 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -19.644 3.494 3.078 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -18.032 4.079 2.601 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -18.675 2.574 1.902 1.00 0.00 H new ATOM 951 N GLY A 69 -14.799 1.587 5.168 1.00 0.00 N ATOM 952 CA GLY A 69 -14.141 0.911 6.271 1.00 0.00 C ATOM 953 C GLY A 69 -12.678 1.288 6.391 1.00 0.00 C ATOM 954 O GLY A 69 -12.228 2.263 5.788 1.00 0.00 O ATOM 0 H GLY A 69 -14.284 2.378 4.782 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -14.654 1.156 7.201 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -14.225 -0.167 6.135 1.00 0.00 H new ATOM 958 N THR A 70 -11.931 0.515 7.174 1.00 0.00 N ATOM 959 CA THR A 70 -10.511 0.775 7.375 1.00 0.00 C ATOM 960 C THR A 70 -9.661 -0.364 6.824 1.00 0.00 C ATOM 961 O THR A 70 -10.070 -1.525 6.849 1.00 0.00 O ATOM 962 CB THR A 70 -10.181 0.972 8.866 1.00 0.00 C ATOM 963 OG1 THR A 70 -11.166 1.811 9.479 1.00 0.00 O ATOM 964 CG2 THR A 70 -8.802 1.591 9.038 1.00 0.00 C ATOM 0 H THR A 70 -12.287 -0.297 7.679 1.00 0.00 H new ATOM 0 HA THR A 70 -10.278 1.693 6.835 1.00 0.00 H new ATOM 0 HB THR A 70 -10.186 -0.005 9.349 1.00 0.00 H new ATOM 0 HG1 THR A 70 -10.950 1.930 10.427 1.00 0.00 H new ATOM 0 HG21 THR A 70 -8.591 1.721 10.100 1.00 0.00 H new ATOM 0 HG22 THR A 70 -8.051 0.936 8.596 1.00 0.00 H new ATOM 0 HG23 THR A 70 -8.774 2.561 8.542 1.00 0.00 H new ATOM 972 N TYR A 71 -8.477 -0.025 6.327 1.00 0.00 N ATOM 973 CA TYR A 71 -7.569 -1.020 5.768 1.00 0.00 C ATOM 974 C TYR A 71 -6.115 -0.619 5.994 1.00 0.00 C ATOM 975 O TYR A 71 -5.656 0.406 5.490 1.00 0.00 O ATOM 976 CB TYR A 71 -7.834 -1.200 4.273 1.00 0.00 C ATOM 977 CG TYR A 71 -9.236 -1.671 3.958 1.00 0.00 C ATOM 978 CD1 TYR A 71 -10.294 -0.772 3.893 1.00 0.00 C ATOM 979 CD2 TYR A 71 -9.503 -3.015 3.728 1.00 0.00 C ATOM 980 CE1 TYR A 71 -11.576 -1.198 3.607 1.00 0.00 C ATOM 981 CE2 TYR A 71 -10.783 -3.449 3.440 1.00 0.00 C ATOM 982 CZ TYR A 71 -11.816 -2.537 3.381 1.00 0.00 C ATOM 983 OH TYR A 71 -13.092 -2.966 3.095 1.00 0.00 O ATOM 0 H TYR A 71 -8.123 0.931 6.300 1.00 0.00 H new ATOM 0 HA TYR A 71 -7.749 -1.966 6.278 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -7.655 -0.253 3.764 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -7.120 -1.918 3.870 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -10.110 0.278 4.069 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -8.697 -3.732 3.775 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -12.387 -0.486 3.561 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -10.974 -4.497 3.262 1.00 0.00 H new ATOM 0 HH TYR A 71 -13.050 -3.758 2.520 1.00 0.00 H new ATOM 993 N VAL A 72 -5.393 -1.436 6.755 1.00 0.00 N ATOM 994 CA VAL A 72 -3.990 -1.168 7.047 1.00 0.00 C ATOM 995 C VAL A 72 -3.076 -2.079 6.235 1.00 0.00 C ATOM 996 O VAL A 72 -3.012 -3.285 6.474 1.00 0.00 O ATOM 997 CB VAL A 72 -3.683 -1.355 8.545 1.00 0.00 C ATOM 998 CG1 VAL A 72 -2.254 -0.935 8.854 1.00 0.00 C ATOM 999 CG2 VAL A 72 -4.673 -0.572 9.393 1.00 0.00 C ATOM 0 H VAL A 72 -5.757 -2.289 7.180 1.00 0.00 H new ATOM 0 HA VAL A 72 -3.802 -0.130 6.772 1.00 0.00 H new ATOM 0 HB VAL A 72 -3.786 -2.412 8.790 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -2.056 -1.074 9.917 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -1.562 -1.544 8.273 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -2.119 0.115 8.594 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -4.441 -0.716 10.448 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -4.604 0.488 9.147 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -5.684 -0.926 9.192 1.00 0.00 H new ATOM 1009 N PHE A 73 -2.370 -1.494 5.273 1.00 0.00 N ATOM 1010 CA PHE A 73 -1.460 -2.253 4.424 1.00 0.00 C ATOM 1011 C PHE A 73 -0.007 -1.968 4.794 1.00 0.00 C ATOM 1012 O PHE A 73 0.484 -0.852 4.620 1.00 0.00 O ATOM 1013 CB PHE A 73 -1.699 -1.912 2.951 1.00 0.00 C ATOM 1014 CG PHE A 73 -3.121 -2.114 2.513 1.00 0.00 C ATOM 1015 CD1 PHE A 73 -3.568 -3.365 2.118 1.00 0.00 C ATOM 1016 CD2 PHE A 73 -4.012 -1.053 2.495 1.00 0.00 C ATOM 1017 CE1 PHE A 73 -4.876 -3.554 1.714 1.00 0.00 C ATOM 1018 CE2 PHE A 73 -5.321 -1.236 2.093 1.00 0.00 C ATOM 1019 CZ PHE A 73 -5.754 -2.488 1.701 1.00 0.00 C ATOM 0 H PHE A 73 -2.411 -0.497 5.062 1.00 0.00 H new ATOM 0 HA PHE A 73 -1.656 -3.314 4.581 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -1.417 -0.874 2.776 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -1.046 -2.528 2.333 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -2.886 -4.202 2.126 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -3.679 -0.071 2.799 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -5.211 -4.534 1.409 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -6.006 -0.401 2.085 1.00 0.00 H new ATOM 0 HZ PHE A 73 -6.777 -2.633 1.385 1.00 0.00 H new ATOM 1029 N THR A 74 0.677 -2.986 5.306 1.00 0.00 N ATOM 1030 CA THR A 74 2.073 -2.847 5.703 1.00 0.00 C ATOM 1031 C THR A 74 3.006 -3.417 4.641 1.00 0.00 C ATOM 1032 O THR A 74 2.834 -4.552 4.193 1.00 0.00 O ATOM 1033 CB THR A 74 2.349 -3.551 7.045 1.00 0.00 C ATOM 1034 OG1 THR A 74 1.523 -2.990 8.071 1.00 0.00 O ATOM 1035 CG2 THR A 74 3.813 -3.418 7.435 1.00 0.00 C ATOM 0 H THR A 74 0.287 -3.916 5.456 1.00 0.00 H new ATOM 0 HA THR A 74 2.264 -1.780 5.816 1.00 0.00 H new ATOM 0 HB THR A 74 2.116 -4.609 6.930 1.00 0.00 H new ATOM 0 HG1 THR A 74 1.983 -3.056 8.934 1.00 0.00 H new ATOM 0 HG21 THR A 74 3.984 -3.923 8.386 1.00 0.00 H new ATOM 0 HG22 THR A 74 4.437 -3.873 6.666 1.00 0.00 H new ATOM 0 HG23 THR A 74 4.069 -2.363 7.533 1.00 0.00 H new ATOM 1043 N LEU A 75 3.994 -2.625 4.241 1.00 0.00 N ATOM 1044 CA LEU A 75 4.957 -3.052 3.231 1.00 0.00 C ATOM 1045 C LEU A 75 6.343 -3.232 3.842 1.00 0.00 C ATOM 1046 O LEU A 75 6.757 -2.462 4.709 1.00 0.00 O ATOM 1047 CB LEU A 75 5.017 -2.032 2.093 1.00 0.00 C ATOM 1048 CG LEU A 75 6.305 -2.021 1.269 1.00 0.00 C ATOM 1049 CD1 LEU A 75 6.019 -1.605 -0.165 1.00 0.00 C ATOM 1050 CD2 LEU A 75 7.334 -1.093 1.900 1.00 0.00 C ATOM 0 H LEU A 75 4.150 -1.683 4.600 1.00 0.00 H new ATOM 0 HA LEU A 75 4.628 -4.012 2.833 1.00 0.00 H new ATOM 0 HB2 LEU A 75 4.180 -2.219 1.420 1.00 0.00 H new ATOM 0 HB3 LEU A 75 4.871 -1.038 2.515 1.00 0.00 H new ATOM 0 HG LEU A 75 6.714 -3.031 1.257 1.00 0.00 H new ATOM 0 HD11 LEU A 75 6.948 -1.603 -0.735 1.00 0.00 H new ATOM 0 HD12 LEU A 75 5.318 -2.308 -0.615 1.00 0.00 H new ATOM 0 HD13 LEU A 75 5.586 -0.605 -0.174 1.00 0.00 H new ATOM 0 HD21 LEU A 75 8.244 -1.098 1.300 1.00 0.00 H new ATOM 0 HD22 LEU A 75 6.933 -0.080 1.943 1.00 0.00 H new ATOM 0 HD23 LEU A 75 7.563 -1.436 2.909 1.00 0.00 H new ATOM 1062 N THR A 76 7.058 -4.254 3.382 1.00 0.00 N ATOM 1063 CA THR A 76 8.398 -4.536 3.881 1.00 0.00 C ATOM 1064 C THR A 76 9.389 -4.701 2.734 1.00 0.00 C ATOM 1065 O THR A 76 9.179 -5.509 1.830 1.00 0.00 O ATOM 1066 CB THR A 76 8.418 -5.809 4.749 1.00 0.00 C ATOM 1067 OG1 THR A 76 7.556 -5.644 5.880 1.00 0.00 O ATOM 1068 CG2 THR A 76 9.830 -6.119 5.222 1.00 0.00 C ATOM 0 H THR A 76 6.731 -4.901 2.664 1.00 0.00 H new ATOM 0 HA THR A 76 8.693 -3.683 4.492 1.00 0.00 H new ATOM 0 HB THR A 76 8.064 -6.642 4.142 1.00 0.00 H new ATOM 0 HG1 THR A 76 7.573 -6.458 6.426 1.00 0.00 H new ATOM 0 HG21 THR A 76 9.819 -7.022 5.833 1.00 0.00 H new ATOM 0 HG22 THR A 76 10.477 -6.273 4.359 1.00 0.00 H new ATOM 0 HG23 THR A 76 10.207 -5.285 5.814 1.00 0.00 H new ATOM 1076 N VAL A 77 10.470 -3.929 2.777 1.00 0.00 N ATOM 1077 CA VAL A 77 11.495 -3.990 1.742 1.00 0.00 C ATOM 1078 C VAL A 77 12.841 -4.404 2.326 1.00 0.00 C ATOM 1079 O VAL A 77 13.030 -4.401 3.543 1.00 0.00 O ATOM 1080 CB VAL A 77 11.652 -2.635 1.027 1.00 0.00 C ATOM 1081 CG1 VAL A 77 10.351 -2.234 0.350 1.00 0.00 C ATOM 1082 CG2 VAL A 77 12.104 -1.565 2.008 1.00 0.00 C ATOM 0 H VAL A 77 10.659 -3.254 3.518 1.00 0.00 H new ATOM 0 HA VAL A 77 11.171 -4.738 1.019 1.00 0.00 H new ATOM 0 HB VAL A 77 12.417 -2.737 0.257 1.00 0.00 H new ATOM 0 HG11 VAL A 77 10.482 -1.274 -0.150 1.00 0.00 H new ATOM 0 HG12 VAL A 77 10.075 -2.991 -0.384 1.00 0.00 H new ATOM 0 HG13 VAL A 77 9.563 -2.149 1.098 1.00 0.00 H new ATOM 0 HG21 VAL A 77 12.210 -0.614 1.486 1.00 0.00 H new ATOM 0 HG22 VAL A 77 11.364 -1.463 2.802 1.00 0.00 H new ATOM 0 HG23 VAL A 77 13.063 -1.850 2.441 1.00 0.00 H new ATOM 1092 N LYS A 78 13.775 -4.759 1.451 1.00 0.00 N ATOM 1093 CA LYS A 78 15.106 -5.174 1.877 1.00 0.00 C ATOM 1094 C LYS A 78 16.182 -4.530 1.008 1.00 0.00 C ATOM 1095 O LYS A 78 16.044 -4.455 -0.213 1.00 0.00 O ATOM 1096 CB LYS A 78 15.232 -6.698 1.817 1.00 0.00 C ATOM 1097 CG LYS A 78 14.824 -7.393 3.105 1.00 0.00 C ATOM 1098 CD LYS A 78 14.674 -8.892 2.906 1.00 0.00 C ATOM 1099 CE LYS A 78 13.264 -9.258 2.467 1.00 0.00 C ATOM 1100 NZ LYS A 78 13.079 -10.733 2.370 1.00 0.00 N ATOM 0 H LYS A 78 13.635 -4.768 0.441 1.00 0.00 H new ATOM 0 HA LYS A 78 15.249 -4.844 2.906 1.00 0.00 H new ATOM 0 HB2 LYS A 78 14.615 -7.073 1.000 1.00 0.00 H new ATOM 0 HB3 LYS A 78 16.264 -6.960 1.584 1.00 0.00 H new ATOM 0 HG2 LYS A 78 15.570 -7.200 3.876 1.00 0.00 H new ATOM 0 HG3 LYS A 78 13.882 -6.976 3.462 1.00 0.00 H new ATOM 0 HD2 LYS A 78 15.389 -9.234 2.158 1.00 0.00 H new ATOM 0 HD3 LYS A 78 14.913 -9.409 3.835 1.00 0.00 H new ATOM 0 HE2 LYS A 78 12.545 -8.848 3.176 1.00 0.00 H new ATOM 0 HE3 LYS A 78 13.055 -8.801 1.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 12.106 -10.942 2.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 13.748 -11.122 1.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 13.254 -11.167 3.299 1.00 0.00 H new ATOM 1114 N ASP A 79 17.253 -4.069 1.644 1.00 0.00 N ATOM 1115 CA ASP A 79 18.353 -3.434 0.928 1.00 0.00 C ATOM 1116 C ASP A 79 19.508 -4.410 0.731 1.00 0.00 C ATOM 1117 O ASP A 79 19.430 -5.568 1.140 1.00 0.00 O ATOM 1118 CB ASP A 79 18.838 -2.198 1.688 1.00 0.00 C ATOM 1119 CG ASP A 79 17.741 -1.168 1.878 1.00 0.00 C ATOM 1120 OD1 ASP A 79 16.575 -1.572 2.068 1.00 0.00 O ATOM 1121 OD2 ASP A 79 18.049 0.042 1.836 1.00 0.00 O ATOM 0 H ASP A 79 17.383 -4.123 2.654 1.00 0.00 H new ATOM 0 HA ASP A 79 17.988 -3.128 -0.052 1.00 0.00 H new ATOM 0 HB2 ASP A 79 19.221 -2.501 2.663 1.00 0.00 H new ATOM 0 HB3 ASP A 79 19.668 -1.745 1.147 1.00 0.00 H new ATOM 1126 N GLU A 80 20.578 -3.934 0.101 1.00 0.00 N ATOM 1127 CA GLU A 80 21.748 -4.767 -0.152 1.00 0.00 C ATOM 1128 C GLU A 80 22.229 -5.434 1.134 1.00 0.00 C ATOM 1129 O GLU A 80 22.708 -6.568 1.115 1.00 0.00 O ATOM 1130 CB GLU A 80 22.876 -3.930 -0.758 1.00 0.00 C ATOM 1131 CG GLU A 80 24.152 -4.716 -1.006 1.00 0.00 C ATOM 1132 CD GLU A 80 25.359 -3.821 -1.209 1.00 0.00 C ATOM 1133 OE1 GLU A 80 25.257 -2.856 -1.996 1.00 0.00 O ATOM 1134 OE2 GLU A 80 26.406 -4.085 -0.582 1.00 0.00 O ATOM 0 H GLU A 80 20.659 -2.977 -0.243 1.00 0.00 H new ATOM 0 HA GLU A 80 21.462 -5.545 -0.860 1.00 0.00 H new ATOM 0 HB2 GLU A 80 22.534 -3.503 -1.700 1.00 0.00 H new ATOM 0 HB3 GLU A 80 23.097 -3.096 -0.091 1.00 0.00 H new ATOM 0 HG2 GLU A 80 24.335 -5.380 -0.161 1.00 0.00 H new ATOM 0 HG3 GLU A 80 24.020 -5.347 -1.885 1.00 0.00 H new ATOM 1141 N ARG A 81 22.098 -4.722 2.248 1.00 0.00 N ATOM 1142 CA ARG A 81 22.520 -5.243 3.542 1.00 0.00 C ATOM 1143 C ARG A 81 21.426 -6.106 4.164 1.00 0.00 C ATOM 1144 O ARG A 81 21.446 -6.381 5.363 1.00 0.00 O ATOM 1145 CB ARG A 81 22.878 -4.094 4.487 1.00 0.00 C ATOM 1146 CG ARG A 81 24.115 -3.320 4.064 1.00 0.00 C ATOM 1147 CD ARG A 81 24.495 -2.270 5.095 1.00 0.00 C ATOM 1148 NE ARG A 81 25.518 -1.355 4.594 1.00 0.00 N ATOM 1149 CZ ARG A 81 26.089 -0.413 5.337 1.00 0.00 C ATOM 1150 NH1 ARG A 81 25.739 -0.263 6.607 1.00 0.00 N ATOM 1151 NH2 ARG A 81 27.012 0.380 4.809 1.00 0.00 N ATOM 0 H ARG A 81 21.703 -3.782 2.280 1.00 0.00 H new ATOM 0 HA ARG A 81 23.403 -5.863 3.385 1.00 0.00 H new ATOM 0 HB2 ARG A 81 22.033 -3.408 4.547 1.00 0.00 H new ATOM 0 HB3 ARG A 81 23.035 -4.494 5.489 1.00 0.00 H new ATOM 0 HG2 ARG A 81 24.947 -4.010 3.923 1.00 0.00 H new ATOM 0 HG3 ARG A 81 23.933 -2.839 3.103 1.00 0.00 H new ATOM 0 HD2 ARG A 81 23.608 -1.703 5.378 1.00 0.00 H new ATOM 0 HD3 ARG A 81 24.859 -2.763 5.997 1.00 0.00 H new ATOM 0 HE ARG A 81 25.810 -1.444 3.621 1.00 0.00 H new ATOM 0 HH11 ARG A 81 25.030 -0.872 7.016 1.00 0.00 H new ATOM 0 HH12 ARG A 81 26.179 0.461 7.175 1.00 0.00 H new ATOM 0 HH21 ARG A 81 27.284 0.267 3.832 1.00 0.00 H new ATOM 0 HH22 ARG A 81 27.450 1.103 5.380 1.00 0.00 H new ATOM 1165 N ASN A 82 20.473 -6.529 3.340 1.00 0.00 N ATOM 1166 CA ASN A 82 19.370 -7.359 3.810 1.00 0.00 C ATOM 1167 C ASN A 82 18.643 -6.691 4.973 1.00 0.00 C ATOM 1168 O ASN A 82 18.070 -7.364 5.830 1.00 0.00 O ATOM 1169 CB ASN A 82 19.886 -8.734 4.239 1.00 0.00 C ATOM 1170 CG ASN A 82 19.890 -9.732 3.097 1.00 0.00 C ATOM 1171 OD1 ASN A 82 19.470 -9.419 1.983 1.00 0.00 O ATOM 1172 ND2 ASN A 82 20.367 -10.941 3.370 1.00 0.00 N ATOM 0 H ASN A 82 20.442 -6.311 2.344 1.00 0.00 H new ATOM 0 HA ASN A 82 18.665 -7.483 2.988 1.00 0.00 H new ATOM 0 HB2 ASN A 82 20.897 -8.633 4.633 1.00 0.00 H new ATOM 0 HB3 ASN A 82 19.265 -9.116 5.049 1.00 0.00 H new ATOM 0 HD21 ASN A 82 20.396 -11.654 2.642 1.00 0.00 H new ATOM 0 HD22 ASN A 82 20.705 -11.156 4.308 1.00 0.00 H new ATOM 1179 N LEU A 83 18.669 -5.363 4.995 1.00 0.00 N ATOM 1180 CA LEU A 83 18.012 -4.602 6.052 1.00 0.00 C ATOM 1181 C LEU A 83 16.500 -4.803 6.008 1.00 0.00 C ATOM 1182 O LEU A 83 15.855 -4.507 5.003 1.00 0.00 O ATOM 1183 CB LEU A 83 18.344 -3.115 5.919 1.00 0.00 C ATOM 1184 CG LEU A 83 19.677 -2.669 6.521 1.00 0.00 C ATOM 1185 CD1 LEU A 83 20.025 -1.261 6.063 1.00 0.00 C ATOM 1186 CD2 LEU A 83 19.627 -2.740 8.041 1.00 0.00 C ATOM 0 H LEU A 83 19.138 -4.791 4.293 1.00 0.00 H new ATOM 0 HA LEU A 83 18.381 -4.966 7.011 1.00 0.00 H new ATOM 0 HB2 LEU A 83 18.341 -2.856 4.860 1.00 0.00 H new ATOM 0 HB3 LEU A 83 17.546 -2.541 6.390 1.00 0.00 H new ATOM 0 HG LEU A 83 20.456 -3.346 6.171 1.00 0.00 H new ATOM 0 HD11 LEU A 83 20.977 -0.961 6.501 1.00 0.00 H new ATOM 0 HD12 LEU A 83 20.104 -1.241 4.976 1.00 0.00 H new ATOM 0 HD13 LEU A 83 19.244 -0.571 6.383 1.00 0.00 H new ATOM 0 HD21 LEU A 83 20.584 -2.419 8.452 1.00 0.00 H new ATOM 0 HD22 LEU A 83 18.836 -2.087 8.410 1.00 0.00 H new ATOM 0 HD23 LEU A 83 19.425 -3.765 8.351 1.00 0.00 H new ATOM 1198 N GLN A 84 15.943 -5.305 7.105 1.00 0.00 N ATOM 1199 CA GLN A 84 14.507 -5.543 7.192 1.00 0.00 C ATOM 1200 C GLN A 84 13.780 -4.306 7.709 1.00 0.00 C ATOM 1201 O GLN A 84 14.025 -3.852 8.827 1.00 0.00 O ATOM 1202 CB GLN A 84 14.221 -6.737 8.105 1.00 0.00 C ATOM 1203 CG GLN A 84 12.918 -7.451 7.783 1.00 0.00 C ATOM 1204 CD GLN A 84 12.296 -8.107 9.000 1.00 0.00 C ATOM 1205 OE1 GLN A 84 12.243 -9.333 9.099 1.00 0.00 O ATOM 1206 NE2 GLN A 84 11.821 -7.292 9.934 1.00 0.00 N ATOM 0 H GLN A 84 16.464 -5.555 7.946 1.00 0.00 H new ATOM 0 HA GLN A 84 14.140 -5.765 6.190 1.00 0.00 H new ATOM 0 HB2 GLN A 84 15.044 -7.448 8.028 1.00 0.00 H new ATOM 0 HB3 GLN A 84 14.192 -6.394 9.139 1.00 0.00 H new ATOM 0 HG2 GLN A 84 12.212 -6.737 7.359 1.00 0.00 H new ATOM 0 HG3 GLN A 84 13.102 -8.208 7.021 1.00 0.00 H new ATOM 0 HE21 GLN A 84 11.886 -6.282 9.810 1.00 0.00 H new ATOM 0 HE22 GLN A 84 11.391 -7.676 10.775 1.00 0.00 H new ATOM 1215 N SER A 85 12.886 -3.765 6.888 1.00 0.00 N ATOM 1216 CA SER A 85 12.126 -2.578 7.261 1.00 0.00 C ATOM 1217 C SER A 85 10.639 -2.898 7.376 1.00 0.00 C ATOM 1218 O SER A 85 10.226 -4.046 7.210 1.00 0.00 O ATOM 1219 CB SER A 85 12.342 -1.465 6.234 1.00 0.00 C ATOM 1220 OG SER A 85 13.567 -0.791 6.462 1.00 0.00 O ATOM 0 H SER A 85 12.670 -4.130 5.960 1.00 0.00 H new ATOM 0 HA SER A 85 12.483 -2.240 8.234 1.00 0.00 H new ATOM 0 HB2 SER A 85 12.337 -1.887 5.229 1.00 0.00 H new ATOM 0 HB3 SER A 85 11.517 -0.754 6.285 1.00 0.00 H new ATOM 0 HG SER A 85 13.682 -0.086 5.791 1.00 0.00 H new ATOM 1226 N GLN A 86 9.840 -1.875 7.661 1.00 0.00 N ATOM 1227 CA GLN A 86 8.398 -2.048 7.799 1.00 0.00 C ATOM 1228 C GLN A 86 7.693 -0.697 7.876 1.00 0.00 C ATOM 1229 O GLN A 86 8.202 0.246 8.482 1.00 0.00 O ATOM 1230 CB GLN A 86 8.079 -2.875 9.045 1.00 0.00 C ATOM 1231 CG GLN A 86 6.799 -3.685 8.926 1.00 0.00 C ATOM 1232 CD GLN A 86 6.362 -4.285 10.248 1.00 0.00 C ATOM 1233 OE1 GLN A 86 5.721 -3.620 11.063 1.00 0.00 O ATOM 1234 NE2 GLN A 86 6.708 -5.548 10.469 1.00 0.00 N ATOM 0 H GLN A 86 10.166 -0.919 7.801 1.00 0.00 H new ATOM 0 HA GLN A 86 8.035 -2.577 6.918 1.00 0.00 H new ATOM 0 HB2 GLN A 86 8.910 -3.552 9.244 1.00 0.00 H new ATOM 0 HB3 GLN A 86 7.998 -2.208 9.903 1.00 0.00 H new ATOM 0 HG2 GLN A 86 6.004 -3.046 8.541 1.00 0.00 H new ATOM 0 HG3 GLN A 86 6.946 -4.484 8.200 1.00 0.00 H new ATOM 0 HE21 GLN A 86 7.239 -6.062 9.766 1.00 0.00 H new ATOM 0 HE22 GLN A 86 6.442 -6.004 11.342 1.00 0.00 H new ATOM 1243 N SER A 87 6.520 -0.612 7.259 1.00 0.00 N ATOM 1244 CA SER A 87 5.746 0.625 7.254 1.00 0.00 C ATOM 1245 C SER A 87 4.283 0.349 6.923 1.00 0.00 C ATOM 1246 O SER A 87 3.974 -0.346 5.955 1.00 0.00 O ATOM 1247 CB SER A 87 6.332 1.613 6.244 1.00 0.00 C ATOM 1248 OG SER A 87 7.340 2.412 6.838 1.00 0.00 O ATOM 0 H SER A 87 6.084 -1.384 6.756 1.00 0.00 H new ATOM 0 HA SER A 87 5.798 1.062 8.251 1.00 0.00 H new ATOM 0 HB2 SER A 87 6.748 1.068 5.397 1.00 0.00 H new ATOM 0 HB3 SER A 87 5.540 2.252 5.854 1.00 0.00 H new ATOM 0 HG SER A 87 7.843 1.876 7.486 1.00 0.00 H new ATOM 1254 N SER A 88 3.386 0.899 7.735 1.00 0.00 N ATOM 1255 CA SER A 88 1.954 0.710 7.532 1.00 0.00 C ATOM 1256 C SER A 88 1.298 2.001 7.052 1.00 0.00 C ATOM 1257 O SER A 88 1.787 3.098 7.325 1.00 0.00 O ATOM 1258 CB SER A 88 1.292 0.239 8.828 1.00 0.00 C ATOM 1259 OG SER A 88 1.594 1.112 9.902 1.00 0.00 O ATOM 0 H SER A 88 3.625 1.479 8.539 1.00 0.00 H new ATOM 0 HA SER A 88 1.818 -0.052 6.765 1.00 0.00 H new ATOM 0 HB2 SER A 88 0.212 0.187 8.690 1.00 0.00 H new ATOM 0 HB3 SER A 88 1.631 -0.769 9.068 1.00 0.00 H new ATOM 0 HG SER A 88 1.158 0.790 10.718 1.00 0.00 H new ATOM 1265 N VAL A 89 0.187 1.862 6.336 1.00 0.00 N ATOM 1266 CA VAL A 89 -0.538 3.016 5.818 1.00 0.00 C ATOM 1267 C VAL A 89 -2.015 2.950 6.191 1.00 0.00 C ATOM 1268 O VAL A 89 -2.568 1.869 6.388 1.00 0.00 O ATOM 1269 CB VAL A 89 -0.411 3.118 4.287 1.00 0.00 C ATOM 1270 CG1 VAL A 89 -0.960 1.866 3.621 1.00 0.00 C ATOM 1271 CG2 VAL A 89 -1.124 4.361 3.775 1.00 0.00 C ATOM 0 H VAL A 89 -0.231 0.962 6.101 1.00 0.00 H new ATOM 0 HA VAL A 89 -0.091 3.900 6.272 1.00 0.00 H new ATOM 0 HB VAL A 89 0.645 3.202 4.032 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -0.862 1.956 2.539 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -0.401 0.996 3.965 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -2.012 1.747 3.881 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -1.024 4.417 2.691 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -2.180 4.310 4.040 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -0.679 5.248 4.227 1.00 0.00 H new ATOM 1281 N ASN A 90 -2.648 4.115 6.286 1.00 0.00 N ATOM 1282 CA ASN A 90 -4.062 4.190 6.636 1.00 0.00 C ATOM 1283 C ASN A 90 -4.915 4.448 5.398 1.00 0.00 C ATOM 1284 O ASN A 90 -4.883 5.537 4.824 1.00 0.00 O ATOM 1285 CB ASN A 90 -4.295 5.294 7.669 1.00 0.00 C ATOM 1286 CG ASN A 90 -3.917 4.861 9.073 1.00 0.00 C ATOM 1287 OD1 ASN A 90 -3.021 5.436 9.691 1.00 0.00 O ATOM 1288 ND2 ASN A 90 -4.600 3.843 9.582 1.00 0.00 N ATOM 0 H ASN A 90 -2.204 5.019 6.126 1.00 0.00 H new ATOM 0 HA ASN A 90 -4.356 3.232 7.065 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -3.713 6.174 7.394 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -5.345 5.588 7.652 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -4.390 3.507 10.522 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -5.335 3.396 9.033 1.00 0.00 H new ATOM 1295 N VAL A 91 -5.679 3.439 4.992 1.00 0.00 N ATOM 1296 CA VAL A 91 -6.543 3.557 3.823 1.00 0.00 C ATOM 1297 C VAL A 91 -8.007 3.674 4.232 1.00 0.00 C ATOM 1298 O VAL A 91 -8.633 2.690 4.628 1.00 0.00 O ATOM 1299 CB VAL A 91 -6.380 2.349 2.881 1.00 0.00 C ATOM 1300 CG1 VAL A 91 -7.203 2.543 1.616 1.00 0.00 C ATOM 1301 CG2 VAL A 91 -4.913 2.132 2.543 1.00 0.00 C ATOM 0 H VAL A 91 -5.717 2.531 5.455 1.00 0.00 H new ATOM 0 HA VAL A 91 -6.242 4.463 3.296 1.00 0.00 H new ATOM 0 HB VAL A 91 -6.748 1.459 3.392 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -7.075 1.680 0.963 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -8.256 2.646 1.879 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -6.868 3.442 1.099 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -4.816 1.275 1.877 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -4.518 3.021 2.051 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -4.352 1.945 3.459 1.00 0.00 H new ATOM 1311 N ILE A 92 -8.548 4.884 4.133 1.00 0.00 N ATOM 1312 CA ILE A 92 -9.940 5.130 4.490 1.00 0.00 C ATOM 1313 C ILE A 92 -10.821 5.209 3.248 1.00 0.00 C ATOM 1314 O ILE A 92 -10.440 5.805 2.241 1.00 0.00 O ATOM 1315 CB ILE A 92 -10.092 6.432 5.298 1.00 0.00 C ATOM 1316 CG1 ILE A 92 -9.225 6.381 6.558 1.00 0.00 C ATOM 1317 CG2 ILE A 92 -11.551 6.663 5.662 1.00 0.00 C ATOM 1318 CD1 ILE A 92 -8.758 7.742 7.026 1.00 0.00 C ATOM 0 H ILE A 92 -8.044 5.709 3.809 1.00 0.00 H new ATOM 0 HA ILE A 92 -10.261 4.290 5.106 1.00 0.00 H new ATOM 0 HB ILE A 92 -9.755 7.265 4.681 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -9.790 5.905 7.359 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -8.355 5.754 6.365 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -11.642 7.587 6.233 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -12.145 6.739 4.752 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -11.913 5.828 6.263 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -8.149 7.629 7.923 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -8.165 8.213 6.242 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -9.623 8.366 7.251 1.00 0.00 H new ATOM 1330 N VAL A 93 -12.002 4.605 3.328 1.00 0.00 N ATOM 1331 CA VAL A 93 -12.940 4.610 2.212 1.00 0.00 C ATOM 1332 C VAL A 93 -14.242 5.307 2.590 1.00 0.00 C ATOM 1333 O VAL A 93 -15.004 4.815 3.422 1.00 0.00 O ATOM 1334 CB VAL A 93 -13.256 3.178 1.739 1.00 0.00 C ATOM 1335 CG1 VAL A 93 -14.256 3.203 0.593 1.00 0.00 C ATOM 1336 CG2 VAL A 93 -11.980 2.459 1.328 1.00 0.00 C ATOM 0 H VAL A 93 -12.332 4.106 4.154 1.00 0.00 H new ATOM 0 HA VAL A 93 -12.462 5.157 1.399 1.00 0.00 H new ATOM 0 HB VAL A 93 -13.703 2.630 2.568 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -14.467 2.183 0.272 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -15.179 3.677 0.926 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -13.839 3.767 -0.241 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -12.222 1.449 0.997 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -11.502 3.003 0.514 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -11.301 2.409 2.179 1.00 0.00 H new ATOM 1346 N LYS A 94 -14.490 6.458 1.974 1.00 0.00 N ATOM 1347 CA LYS A 94 -15.701 7.225 2.243 1.00 0.00 C ATOM 1348 C LYS A 94 -16.693 7.097 1.092 1.00 0.00 C ATOM 1349 O LYS A 94 -16.318 6.748 -0.026 1.00 0.00 O ATOM 1350 CB LYS A 94 -15.356 8.698 2.472 1.00 0.00 C ATOM 1351 CG LYS A 94 -14.743 8.975 3.834 1.00 0.00 C ATOM 1352 CD LYS A 94 -13.882 10.226 3.814 1.00 0.00 C ATOM 1353 CE LYS A 94 -13.237 10.481 5.168 1.00 0.00 C ATOM 1354 NZ LYS A 94 -12.290 11.629 5.124 1.00 0.00 N ATOM 0 H LYS A 94 -13.868 6.880 1.285 1.00 0.00 H new ATOM 0 HA LYS A 94 -16.163 6.822 3.144 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -14.662 9.025 1.697 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -16.261 9.296 2.362 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -15.535 9.089 4.574 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -14.139 8.122 4.143 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -13.107 10.123 3.054 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -14.492 11.084 3.533 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -14.012 10.678 5.908 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -12.707 9.585 5.492 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -12.289 12.113 6.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -11.333 11.281 4.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -12.586 12.295 4.383 1.00 0.00 H new ATOM 1368 N GLU A 95 -17.960 7.384 1.375 1.00 0.00 N ATOM 1369 CA GLU A 95 -19.006 7.301 0.361 1.00 0.00 C ATOM 1370 C GLU A 95 -19.085 8.594 -0.445 1.00 0.00 C ATOM 1371 O GLU A 95 -18.729 9.666 0.044 1.00 0.00 O ATOM 1372 CB GLU A 95 -20.359 7.011 1.015 1.00 0.00 C ATOM 1373 CG GLU A 95 -20.522 5.568 1.461 1.00 0.00 C ATOM 1374 CD GLU A 95 -21.629 5.396 2.483 1.00 0.00 C ATOM 1375 OE1 GLU A 95 -22.801 5.270 2.074 1.00 0.00 O ATOM 1376 OE2 GLU A 95 -21.321 5.387 3.694 1.00 0.00 O ATOM 0 H GLU A 95 -18.287 7.676 2.296 1.00 0.00 H new ATOM 0 HA GLU A 95 -18.756 6.485 -0.317 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -20.484 7.665 1.878 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -21.154 7.257 0.311 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -20.734 4.945 0.592 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -19.582 5.214 1.885 1.00 0.00 H new