USER MOD reduce.3.24.130724 H: found=0, std=0, add=455, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 382 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 Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= -0.0637 K(o=-0.064,f=-2) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 156:sc=-0.00218 (180deg=-0.264) USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 95 TYR OH : rot 180:sc=0.000666 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 100 N PHE A 9 58.419 40.661 9.452 1.00 0.00 N ATOM 101 CA PHE A 9 59.168 39.411 9.488 1.00 0.00 C ATOM 102 C PHE A 9 59.089 38.691 8.144 1.00 0.00 C ATOM 103 O PHE A 9 59.955 37.882 7.809 1.00 0.00 O ATOM 104 CB PHE A 9 58.634 38.503 10.598 1.00 0.00 C ATOM 105 CG PHE A 9 59.689 38.067 11.573 1.00 0.00 C ATOM 106 CD1 PHE A 9 60.310 38.988 12.402 1.00 0.00 C ATOM 107 CD2 PHE A 9 60.061 36.734 11.662 1.00 0.00 C ATOM 108 CE1 PHE A 9 61.280 38.589 13.301 1.00 0.00 C ATOM 109 CE2 PHE A 9 61.030 36.330 12.560 1.00 0.00 C ATOM 110 CZ PHE A 9 61.642 37.258 13.380 1.00 0.00 C ATOM 0 HA PHE A 9 60.212 39.648 9.693 1.00 0.00 H new ATOM 0 HB2 PHE A 9 57.846 39.027 11.138 1.00 0.00 H new ATOM 0 HB3 PHE A 9 58.179 37.621 10.148 1.00 0.00 H new ATOM 0 HD1 PHE A 9 60.032 40.030 12.344 1.00 0.00 H new ATOM 0 HD2 PHE A 9 59.588 36.004 11.022 1.00 0.00 H new ATOM 0 HE1 PHE A 9 61.755 39.317 13.942 1.00 0.00 H new ATOM 0 HE2 PHE A 9 61.309 35.288 12.621 1.00 0.00 H new ATOM 0 HZ PHE A 9 62.401 36.944 14.081 1.00 0.00 H new ATOM 119 N GLY A 10 58.045 38.991 7.379 1.00 0.00 N ATOM 120 CA GLY A 10 57.872 38.364 6.081 1.00 0.00 C ATOM 121 C GLY A 10 59.000 38.691 5.124 1.00 0.00 C ATOM 122 O GLY A 10 59.647 37.791 4.589 1.00 0.00 O ATOM 0 H GLY A 10 57.316 39.657 7.634 1.00 0.00 H new ATOM 0 HA2 GLY A 10 57.810 37.283 6.209 1.00 0.00 H new ATOM 0 HA3 GLY A 10 56.926 38.689 5.647 1.00 0.00 H new ATOM 126 N GLU A 11 59.237 39.981 4.907 1.00 0.00 N ATOM 127 CA GLU A 11 60.294 40.423 4.006 1.00 0.00 C ATOM 128 C GLU A 11 61.627 39.778 4.375 1.00 0.00 C ATOM 129 O GLU A 11 62.389 39.358 3.504 1.00 0.00 O ATOM 130 CB GLU A 11 60.424 41.946 4.043 1.00 0.00 C ATOM 131 CG GLU A 11 60.302 42.533 5.439 1.00 0.00 C ATOM 132 CD GLU A 11 60.741 43.983 5.503 1.00 0.00 C ATOM 133 OE1 GLU A 11 60.239 44.793 4.696 1.00 0.00 O ATOM 134 OE2 GLU A 11 61.590 44.307 6.361 1.00 0.00 O ATOM 0 H GLU A 11 58.711 40.738 5.343 1.00 0.00 H new ATOM 0 HA GLU A 11 60.027 40.114 2.995 1.00 0.00 H new ATOM 0 HB2 GLU A 11 61.388 42.230 3.621 1.00 0.00 H new ATOM 0 HB3 GLU A 11 59.656 42.384 3.405 1.00 0.00 H new ATOM 0 HG2 GLU A 11 59.267 42.456 5.772 1.00 0.00 H new ATOM 0 HG3 GLU A 11 60.905 41.944 6.131 1.00 0.00 H new ATOM 139 N LYS A 12 61.904 39.704 5.673 1.00 0.00 N ATOM 140 CA LYS A 12 63.143 39.111 6.159 1.00 0.00 C ATOM 141 C LYS A 12 63.138 37.599 5.958 1.00 0.00 C ATOM 142 O LYS A 12 64.127 37.020 5.507 1.00 0.00 O ATOM 143 CB LYS A 12 63.343 39.439 7.640 1.00 0.00 C ATOM 144 CG LYS A 12 63.167 40.912 7.966 1.00 0.00 C ATOM 145 CD LYS A 12 64.077 41.783 7.118 1.00 0.00 C ATOM 146 CE LYS A 12 64.439 43.075 7.836 1.00 0.00 C ATOM 147 NZ LYS A 12 65.246 43.982 6.972 1.00 0.00 N ATOM 0 H LYS A 12 61.285 40.048 6.407 1.00 0.00 H new ATOM 0 HA LYS A 12 63.968 39.533 5.585 1.00 0.00 H new ATOM 0 HB2 LYS A 12 62.635 38.858 8.231 1.00 0.00 H new ATOM 0 HB3 LYS A 12 64.343 39.126 7.941 1.00 0.00 H new ATOM 0 HG2 LYS A 12 62.129 41.200 7.801 1.00 0.00 H new ATOM 0 HG3 LYS A 12 63.381 41.080 9.021 1.00 0.00 H new ATOM 0 HD2 LYS A 12 64.986 41.233 6.875 1.00 0.00 H new ATOM 0 HD3 LYS A 12 63.584 42.016 6.174 1.00 0.00 H new ATOM 0 HE2 LYS A 12 63.527 43.585 8.147 1.00 0.00 H new ATOM 0 HE3 LYS A 12 64.999 42.843 8.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 65.472 44.851 7.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 66.128 43.505 6.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 64.702 44.224 6.120 1.00 0.00 H new ATOM 157 N ALA A 13 62.021 36.966 6.294 1.00 0.00 N ATOM 158 CA ALA A 13 61.887 35.522 6.146 1.00 0.00 C ATOM 159 C ALA A 13 62.251 35.078 4.735 1.00 0.00 C ATOM 160 O ALA A 13 63.079 34.185 4.548 1.00 0.00 O ATOM 161 CB ALA A 13 60.470 35.084 6.490 1.00 0.00 C ATOM 0 H ALA A 13 61.194 37.430 6.671 1.00 0.00 H new ATOM 0 HA ALA A 13 62.581 35.046 6.839 1.00 0.00 H new ATOM 0 HB1 ALA A 13 60.385 34.003 6.375 1.00 0.00 H new ATOM 0 HB2 ALA A 13 60.245 35.358 7.521 1.00 0.00 H new ATOM 0 HB3 ALA A 13 59.764 35.577 5.821 1.00 0.00 H new ATOM 167 N SER A 14 61.629 35.705 3.742 1.00 0.00 N ATOM 168 CA SER A 14 61.885 35.371 2.346 1.00 0.00 C ATOM 169 C SER A 14 63.347 35.621 1.987 1.00 0.00 C ATOM 170 O SER A 14 63.896 34.977 1.095 1.00 0.00 O ATOM 171 CB SER A 14 60.975 36.191 1.428 1.00 0.00 C ATOM 172 OG SER A 14 60.113 35.350 0.682 1.00 0.00 O ATOM 0 H SER A 14 60.943 36.448 3.879 1.00 0.00 H new ATOM 0 HA SER A 14 61.671 34.311 2.206 1.00 0.00 H new ATOM 0 HB2 SER A 14 60.384 36.887 2.024 1.00 0.00 H new ATOM 0 HB3 SER A 14 61.582 36.789 0.749 1.00 0.00 H new ATOM 0 HG SER A 14 59.541 35.898 0.105 1.00 0.00 H new ATOM 177 N GLU A 15 63.970 36.562 2.689 1.00 0.00 N ATOM 178 CA GLU A 15 65.367 36.897 2.444 1.00 0.00 C ATOM 179 C GLU A 15 66.294 35.868 3.084 1.00 0.00 C ATOM 180 O GLU A 15 67.344 35.537 2.533 1.00 0.00 O ATOM 181 CB GLU A 15 65.682 38.292 2.989 1.00 0.00 C ATOM 182 CG GLU A 15 65.158 39.421 2.117 1.00 0.00 C ATOM 183 CD GLU A 15 66.256 40.355 1.648 1.00 0.00 C ATOM 184 OE1 GLU A 15 67.085 39.924 0.818 1.00 0.00 O ATOM 185 OE2 GLU A 15 66.288 41.514 2.110 1.00 0.00 O ATOM 0 H GLU A 15 63.529 37.105 3.431 1.00 0.00 H new ATOM 0 HA GLU A 15 65.533 36.889 1.367 1.00 0.00 H new ATOM 0 HB2 GLU A 15 65.255 38.387 3.987 1.00 0.00 H new ATOM 0 HB3 GLU A 15 66.762 38.396 3.093 1.00 0.00 H new ATOM 0 HG2 GLU A 15 64.650 38.999 1.250 1.00 0.00 H new ATOM 0 HG3 GLU A 15 64.415 39.991 2.675 1.00 0.00 H new ATOM 190 N ALA A 16 65.898 35.366 4.248 1.00 0.00 N ATOM 191 CA ALA A 16 66.692 34.374 4.963 1.00 0.00 C ATOM 192 C ALA A 16 66.709 33.044 4.215 1.00 0.00 C ATOM 193 O ALA A 16 67.772 32.474 3.966 1.00 0.00 O ATOM 194 CB ALA A 16 66.154 34.181 6.372 1.00 0.00 C ATOM 0 H ALA A 16 65.031 35.630 4.717 1.00 0.00 H new ATOM 0 HA ALA A 16 67.716 34.741 5.025 1.00 0.00 H new ATOM 0 HB1 ALA A 16 66.757 33.437 6.893 1.00 0.00 H new ATOM 0 HB2 ALA A 16 66.199 35.127 6.911 1.00 0.00 H new ATOM 0 HB3 ALA A 16 65.120 33.840 6.323 1.00 0.00 H new ATOM 200 N LEU A 17 65.526 32.554 3.862 1.00 0.00 N ATOM 201 CA LEU A 17 65.404 31.291 3.143 1.00 0.00 C ATOM 202 C LEU A 17 66.073 31.376 1.776 1.00 0.00 C ATOM 203 O LEU A 17 66.724 30.429 1.330 1.00 0.00 O ATOM 204 CB LEU A 17 63.930 30.913 2.981 1.00 0.00 C ATOM 205 CG LEU A 17 63.022 31.994 2.395 1.00 0.00 C ATOM 206 CD1 LEU A 17 62.958 31.873 0.880 1.00 0.00 C ATOM 207 CD2 LEU A 17 61.628 31.904 2.998 1.00 0.00 C ATOM 0 H LEU A 17 64.637 33.012 4.062 1.00 0.00 H new ATOM 0 HA LEU A 17 65.908 30.520 3.726 1.00 0.00 H new ATOM 0 HB2 LEU A 17 63.870 30.031 2.344 1.00 0.00 H new ATOM 0 HB3 LEU A 17 63.539 30.628 3.958 1.00 0.00 H new ATOM 0 HG LEU A 17 63.442 32.969 2.644 1.00 0.00 H new ATOM 0 HD11 LEU A 17 62.307 32.651 0.480 1.00 0.00 H new ATOM 0 HD12 LEU A 17 63.959 31.988 0.463 1.00 0.00 H new ATOM 0 HD13 LEU A 17 62.562 30.894 0.610 1.00 0.00 H new ATOM 0 HD21 LEU A 17 60.995 32.681 2.569 1.00 0.00 H new ATOM 0 HD22 LEU A 17 61.200 30.926 2.780 1.00 0.00 H new ATOM 0 HD23 LEU A 17 61.689 32.041 4.078 1.00 0.00 H new ATOM 218 N LYS A 18 65.911 32.516 1.114 1.00 0.00 N ATOM 219 CA LYS A 18 66.502 32.727 -0.204 1.00 0.00 C ATOM 220 C LYS A 18 67.989 32.388 -0.193 1.00 0.00 C ATOM 221 O LYS A 18 68.633 32.341 0.856 1.00 0.00 O ATOM 222 CB LYS A 18 66.303 34.177 -0.648 1.00 0.00 C ATOM 223 CG LYS A 18 65.268 34.340 -1.747 1.00 0.00 C ATOM 224 CD LYS A 18 65.704 35.370 -2.775 1.00 0.00 C ATOM 225 CE LYS A 18 64.721 35.452 -3.934 1.00 0.00 C ATOM 226 NZ LYS A 18 65.417 35.618 -5.241 1.00 0.00 N ATOM 0 H LYS A 18 65.375 33.309 1.468 1.00 0.00 H new ATOM 0 HA LYS A 18 66.001 32.065 -0.910 1.00 0.00 H new ATOM 0 HB2 LYS A 18 66.003 34.774 0.213 1.00 0.00 H new ATOM 0 HB3 LYS A 18 67.256 34.576 -0.996 1.00 0.00 H new ATOM 0 HG2 LYS A 18 65.104 33.381 -2.238 1.00 0.00 H new ATOM 0 HG3 LYS A 18 64.316 34.641 -1.310 1.00 0.00 H new ATOM 0 HD2 LYS A 18 65.789 36.347 -2.299 1.00 0.00 H new ATOM 0 HD3 LYS A 18 66.693 35.112 -3.153 1.00 0.00 H new ATOM 0 HE2 LYS A 18 64.112 34.548 -3.959 1.00 0.00 H new ATOM 0 HE3 LYS A 18 64.041 36.289 -3.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 64.713 35.670 -6.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 65.978 36.494 -5.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 66.046 34.806 -5.405 1.00 0.00 H new ATOM 311 N TYR A 25 75.228 27.729 4.065 1.00 0.00 N ATOM 312 CA TYR A 25 73.907 27.210 3.734 1.00 0.00 C ATOM 313 C TYR A 25 73.956 26.369 2.462 1.00 0.00 C ATOM 314 O TYR A 25 73.152 25.455 2.277 1.00 0.00 O ATOM 315 CB TYR A 25 72.913 28.358 3.561 1.00 0.00 C ATOM 316 CG TYR A 25 71.591 28.126 4.257 1.00 0.00 C ATOM 317 CD1 TYR A 25 71.532 27.923 5.630 1.00 0.00 C ATOM 318 CD2 TYR A 25 70.400 28.112 3.540 1.00 0.00 C ATOM 319 CE1 TYR A 25 70.327 27.708 6.269 1.00 0.00 C ATOM 320 CE2 TYR A 25 69.190 27.899 4.171 1.00 0.00 C ATOM 321 CZ TYR A 25 69.158 27.698 5.535 1.00 0.00 C ATOM 322 OH TYR A 25 67.954 27.487 6.169 1.00 0.00 O ATOM 0 HA TYR A 25 73.578 26.575 4.556 1.00 0.00 H new ATOM 0 HB2 TYR A 25 73.360 29.275 3.945 1.00 0.00 H new ATOM 0 HB3 TYR A 25 72.732 28.513 2.497 1.00 0.00 H new ATOM 0 HD1 TYR A 25 72.444 27.934 6.208 1.00 0.00 H new ATOM 0 HD2 TYR A 25 70.421 28.270 2.472 1.00 0.00 H new ATOM 0 HE1 TYR A 25 70.299 27.549 7.337 1.00 0.00 H new ATOM 0 HE2 TYR A 25 68.274 27.890 3.599 1.00 0.00 H new ATOM 0 HH TYR A 25 67.229 27.511 5.510 1.00 0.00 H new ATOM 331 N ALA A 26 74.905 26.683 1.588 1.00 0.00 N ATOM 332 CA ALA A 26 75.062 25.957 0.335 1.00 0.00 C ATOM 333 C ALA A 26 75.130 24.453 0.577 1.00 0.00 C ATOM 334 O ALA A 26 74.460 23.676 -0.102 1.00 0.00 O ATOM 335 CB ALA A 26 76.309 26.431 -0.399 1.00 0.00 C ATOM 0 H ALA A 26 75.578 27.437 1.725 1.00 0.00 H new ATOM 0 HA ALA A 26 74.189 26.161 -0.285 1.00 0.00 H new ATOM 0 HB1 ALA A 26 76.413 25.879 -1.333 1.00 0.00 H new ATOM 0 HB2 ALA A 26 76.222 27.496 -0.614 1.00 0.00 H new ATOM 0 HB3 ALA A 26 77.186 26.257 0.224 1.00 0.00 H new ATOM 341 N GLU A 27 75.944 24.050 1.549 1.00 0.00 N ATOM 342 CA GLU A 27 76.099 22.638 1.878 1.00 0.00 C ATOM 343 C GLU A 27 74.913 22.138 2.699 1.00 0.00 C ATOM 344 O GLU A 27 74.463 21.005 2.532 1.00 0.00 O ATOM 345 CB GLU A 27 77.400 22.412 2.650 1.00 0.00 C ATOM 346 CG GLU A 27 78.267 21.309 2.071 1.00 0.00 C ATOM 347 CD GLU A 27 79.593 21.169 2.792 1.00 0.00 C ATOM 348 OE1 GLU A 27 79.839 21.946 3.738 1.00 0.00 O ATOM 349 OE2 GLU A 27 80.387 20.283 2.409 1.00 0.00 O ATOM 0 H GLU A 27 76.505 24.681 2.121 1.00 0.00 H new ATOM 0 HA GLU A 27 76.136 22.075 0.945 1.00 0.00 H new ATOM 0 HB2 GLU A 27 77.970 23.341 2.664 1.00 0.00 H new ATOM 0 HB3 GLU A 27 77.161 22.169 3.685 1.00 0.00 H new ATOM 0 HG2 GLU A 27 77.728 20.363 2.123 1.00 0.00 H new ATOM 0 HG3 GLU A 27 78.451 21.513 1.016 1.00 0.00 H new ATOM 354 N GLN A 28 74.412 22.993 3.586 1.00 0.00 N ATOM 355 CA GLN A 28 73.282 22.638 4.434 1.00 0.00 C ATOM 356 C GLN A 28 72.091 22.188 3.593 1.00 0.00 C ATOM 357 O GLN A 28 71.520 21.123 3.826 1.00 0.00 O ATOM 358 CB GLN A 28 72.881 23.824 5.313 1.00 0.00 C ATOM 359 CG GLN A 28 74.022 24.367 6.157 1.00 0.00 C ATOM 360 CD GLN A 28 73.543 25.282 7.267 1.00 0.00 C ATOM 361 OE1 GLN A 28 72.345 25.536 7.404 1.00 0.00 O ATOM 362 NE2 GLN A 28 74.476 25.785 8.066 1.00 0.00 N ATOM 0 H GLN A 28 74.772 23.936 3.735 1.00 0.00 H new ATOM 0 HA GLN A 28 73.587 21.810 5.073 1.00 0.00 H new ATOM 0 HB2 GLN A 28 72.497 24.623 4.678 1.00 0.00 H new ATOM 0 HB3 GLN A 28 72.066 23.520 5.970 1.00 0.00 H new ATOM 0 HG2 GLN A 28 74.576 23.535 6.591 1.00 0.00 H new ATOM 0 HG3 GLN A 28 74.716 24.912 5.516 1.00 0.00 H new ATOM 0 HE21 GLN A 28 75.457 25.548 7.917 1.00 0.00 H new ATOM 0 HE22 GLN A 28 74.212 26.408 8.829 1.00 0.00 H new ATOM 369 N GLY A 29 71.721 23.008 2.615 1.00 0.00 N ATOM 370 CA GLY A 29 70.600 22.679 1.755 1.00 0.00 C ATOM 371 C GLY A 29 70.816 21.388 0.988 1.00 0.00 C ATOM 372 O GLY A 29 69.970 20.494 1.010 1.00 0.00 O ATOM 0 H GLY A 29 72.178 23.895 2.403 1.00 0.00 H new ATOM 0 HA2 GLY A 29 69.696 22.593 2.358 1.00 0.00 H new ATOM 0 HA3 GLY A 29 70.436 23.494 1.050 1.00 0.00 H new ATOM 376 N LYS A 30 71.953 21.290 0.307 1.00 0.00 N ATOM 377 CA LYS A 30 72.280 20.100 -0.470 1.00 0.00 C ATOM 378 C LYS A 30 72.117 18.839 0.372 1.00 0.00 C ATOM 379 O LYS A 30 71.376 17.928 0.004 1.00 0.00 O ATOM 380 CB LYS A 30 73.713 20.191 -1.001 1.00 0.00 C ATOM 381 CG LYS A 30 73.949 21.383 -1.912 1.00 0.00 C ATOM 382 CD LYS A 30 75.426 21.726 -2.009 1.00 0.00 C ATOM 383 CE LYS A 30 76.035 21.212 -3.305 1.00 0.00 C ATOM 384 NZ LYS A 30 77.129 22.097 -3.794 1.00 0.00 N ATOM 0 H LYS A 30 72.664 22.021 0.277 1.00 0.00 H new ATOM 0 HA LYS A 30 71.590 20.045 -1.312 1.00 0.00 H new ATOM 0 HB2 LYS A 30 74.401 20.247 -0.158 1.00 0.00 H new ATOM 0 HB3 LYS A 30 73.949 19.276 -1.545 1.00 0.00 H new ATOM 0 HG2 LYS A 30 73.559 21.165 -2.906 1.00 0.00 H new ATOM 0 HG3 LYS A 30 73.398 22.245 -1.535 1.00 0.00 H new ATOM 0 HD2 LYS A 30 75.554 22.807 -1.949 1.00 0.00 H new ATOM 0 HD3 LYS A 30 75.957 21.295 -1.160 1.00 0.00 H new ATOM 0 HE2 LYS A 30 76.424 20.206 -3.149 1.00 0.00 H new ATOM 0 HE3 LYS A 30 75.259 21.139 -4.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 77.518 21.712 -4.679 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 76.753 23.051 -3.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 77.882 22.147 -3.078 1.00 0.00 H new ATOM 394 N GLU A 31 72.814 18.795 1.505 1.00 0.00 N ATOM 395 CA GLU A 31 72.744 17.644 2.398 1.00 0.00 C ATOM 396 C GLU A 31 71.324 17.445 2.919 1.00 0.00 C ATOM 397 O GLU A 31 70.924 16.329 3.255 1.00 0.00 O ATOM 398 CB GLU A 31 73.709 17.824 3.571 1.00 0.00 C ATOM 399 CG GLU A 31 73.231 17.171 4.858 1.00 0.00 C ATOM 400 CD GLU A 31 74.360 16.923 5.841 1.00 0.00 C ATOM 401 OE1 GLU A 31 75.047 15.891 5.708 1.00 0.00 O ATOM 402 OE2 GLU A 31 74.554 17.765 6.743 1.00 0.00 O ATOM 0 H GLU A 31 73.432 19.541 1.825 1.00 0.00 H new ATOM 0 HA GLU A 31 73.031 16.758 1.832 1.00 0.00 H new ATOM 0 HB2 GLU A 31 74.679 17.407 3.300 1.00 0.00 H new ATOM 0 HB3 GLU A 31 73.858 18.889 3.748 1.00 0.00 H new ATOM 0 HG2 GLU A 31 72.480 17.807 5.326 1.00 0.00 H new ATOM 0 HG3 GLU A 31 72.745 16.224 4.622 1.00 0.00 H new ATOM 407 N TYR A 32 70.566 18.533 2.983 1.00 0.00 N ATOM 408 CA TYR A 32 69.190 18.479 3.466 1.00 0.00 C ATOM 409 C TYR A 32 68.312 17.665 2.520 1.00 0.00 C ATOM 410 O TYR A 32 67.518 16.832 2.955 1.00 0.00 O ATOM 411 CB TYR A 32 68.626 19.893 3.617 1.00 0.00 C ATOM 412 CG TYR A 32 67.274 19.935 4.295 1.00 0.00 C ATOM 413 CD1 TYR A 32 66.101 19.845 3.556 1.00 0.00 C ATOM 414 CD2 TYR A 32 67.171 20.064 5.674 1.00 0.00 C ATOM 415 CE1 TYR A 32 64.864 19.885 4.170 1.00 0.00 C ATOM 416 CE2 TYR A 32 65.940 20.103 6.298 1.00 0.00 C ATOM 417 CZ TYR A 32 64.789 20.014 5.542 1.00 0.00 C ATOM 418 OH TYR A 32 63.559 20.052 6.159 1.00 0.00 O ATOM 0 H TYR A 32 70.880 19.463 2.707 1.00 0.00 H new ATOM 0 HA TYR A 32 69.191 17.990 4.440 1.00 0.00 H new ATOM 0 HB2 TYR A 32 69.330 20.497 4.190 1.00 0.00 H new ATOM 0 HB3 TYR A 32 68.543 20.350 2.631 1.00 0.00 H new ATOM 0 HD1 TYR A 32 66.157 19.742 2.482 1.00 0.00 H new ATOM 0 HD2 TYR A 32 68.070 20.135 6.269 1.00 0.00 H new ATOM 0 HE1 TYR A 32 63.962 19.816 3.580 1.00 0.00 H new ATOM 0 HE2 TYR A 32 65.878 20.203 7.372 1.00 0.00 H new ATOM 0 HH TYR A 32 63.681 20.145 7.127 1.00 0.00 H new ATOM 427 N ILE A 33 68.463 17.914 1.224 1.00 0.00 N ATOM 428 CA ILE A 33 67.686 17.206 0.215 1.00 0.00 C ATOM 429 C ILE A 33 68.142 15.756 0.090 1.00 0.00 C ATOM 430 O ILE A 33 67.330 14.852 -0.114 1.00 0.00 O ATOM 431 CB ILE A 33 67.794 17.886 -1.162 1.00 0.00 C ATOM 432 CG1 ILE A 33 67.756 19.408 -1.006 1.00 0.00 C ATOM 433 CG2 ILE A 33 66.673 17.414 -2.076 1.00 0.00 C ATOM 434 CD1 ILE A 33 67.319 20.133 -2.259 1.00 0.00 C ATOM 0 H ILE A 33 69.117 18.601 0.848 1.00 0.00 H new ATOM 0 HA ILE A 33 66.647 17.233 0.542 1.00 0.00 H new ATOM 0 HB ILE A 33 68.746 17.608 -1.615 1.00 0.00 H new ATOM 0 HG12 ILE A 33 67.078 19.665 -0.192 1.00 0.00 H new ATOM 0 HG13 ILE A 33 68.747 19.761 -0.719 1.00 0.00 H new ATOM 0 HG21 ILE A 33 66.763 17.904 -3.045 1.00 0.00 H new ATOM 0 HG22 ILE A 33 66.741 16.334 -2.207 1.00 0.00 H new ATOM 0 HG23 ILE A 33 65.710 17.665 -1.631 1.00 0.00 H new ATOM 0 HD11 ILE A 33 67.315 21.207 -2.075 1.00 0.00 H new ATOM 0 HD12 ILE A 33 68.010 19.906 -3.071 1.00 0.00 H new ATOM 0 HD13 ILE A 33 66.316 19.809 -2.536 1.00 0.00 H new ATOM 445 N THR A 34 69.447 15.538 0.214 1.00 0.00 N ATOM 446 CA THR A 34 70.012 14.198 0.114 1.00 0.00 C ATOM 447 C THR A 34 69.514 13.306 1.245 1.00 0.00 C ATOM 448 O THR A 34 69.332 12.101 1.065 1.00 0.00 O ATOM 449 CB THR A 34 71.552 14.234 0.145 1.00 0.00 C ATOM 450 OG1 THR A 34 72.080 13.697 -1.073 1.00 0.00 O ATOM 451 CG2 THR A 34 72.088 13.442 1.328 1.00 0.00 C ATOM 0 H THR A 34 70.133 16.273 0.384 1.00 0.00 H new ATOM 0 HA THR A 34 69.684 13.787 -0.841 1.00 0.00 H new ATOM 0 HB THR A 34 71.867 15.272 0.250 1.00 0.00 H new ATOM 0 HG1 THR A 34 73.059 13.725 -1.046 1.00 0.00 H new ATOM 0 HG21 THR A 34 73.177 13.482 1.329 1.00 0.00 H new ATOM 0 HG22 THR A 34 71.708 13.871 2.255 1.00 0.00 H new ATOM 0 HG23 THR A 34 71.763 12.405 1.249 1.00 0.00 H new ATOM 459 N ASP A 35 69.294 13.906 2.412 1.00 0.00 N ATOM 460 CA ASP A 35 68.813 13.164 3.572 1.00 0.00 C ATOM 461 C ASP A 35 67.343 12.791 3.409 1.00 0.00 C ATOM 462 O ASP A 35 66.890 11.767 3.921 1.00 0.00 O ATOM 463 CB ASP A 35 69.003 13.990 4.845 1.00 0.00 C ATOM 464 CG ASP A 35 69.597 13.178 5.979 1.00 0.00 C ATOM 465 OD1 ASP A 35 70.603 12.474 5.742 1.00 0.00 O ATOM 466 OD2 ASP A 35 69.058 13.246 7.103 1.00 0.00 O ATOM 0 H ASP A 35 69.441 14.902 2.578 1.00 0.00 H new ATOM 0 HA ASP A 35 69.395 12.246 3.652 1.00 0.00 H new ATOM 0 HB2 ASP A 35 69.653 14.838 4.630 1.00 0.00 H new ATOM 0 HB3 ASP A 35 68.041 14.396 5.158 1.00 0.00 H new ATOM 470 N LYS A 36 66.601 13.629 2.692 1.00 0.00 N ATOM 471 CA LYS A 36 65.182 13.388 2.460 1.00 0.00 C ATOM 472 C LYS A 36 64.978 12.247 1.467 1.00 0.00 C ATOM 473 O LYS A 36 64.131 11.378 1.671 1.00 0.00 O ATOM 474 CB LYS A 36 64.508 14.658 1.938 1.00 0.00 C ATOM 475 CG LYS A 36 64.571 15.824 2.909 1.00 0.00 C ATOM 476 CD LYS A 36 63.264 15.992 3.665 1.00 0.00 C ATOM 477 CE LYS A 36 62.843 17.452 3.732 1.00 0.00 C ATOM 478 NZ LYS A 36 61.361 17.600 3.762 1.00 0.00 N ATOM 0 H LYS A 36 66.960 14.481 2.262 1.00 0.00 H new ATOM 0 HA LYS A 36 64.727 13.105 3.409 1.00 0.00 H new ATOM 0 HB2 LYS A 36 64.981 14.951 1.001 1.00 0.00 H new ATOM 0 HB3 LYS A 36 63.464 14.439 1.714 1.00 0.00 H new ATOM 0 HG2 LYS A 36 65.384 15.665 3.617 1.00 0.00 H new ATOM 0 HG3 LYS A 36 64.797 16.740 2.364 1.00 0.00 H new ATOM 0 HD2 LYS A 36 62.483 15.409 3.177 1.00 0.00 H new ATOM 0 HD3 LYS A 36 63.373 15.597 4.675 1.00 0.00 H new ATOM 0 HE2 LYS A 36 63.272 17.914 4.621 1.00 0.00 H new ATOM 0 HE3 LYS A 36 63.244 17.986 2.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 61.114 18.609 3.808 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 60.953 17.182 2.902 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 60.980 17.112 4.598 1.00 0.00 H new ATOM 488 N ALA A 37 65.763 12.256 0.393 1.00 0.00 N ATOM 489 CA ALA A 37 65.670 11.220 -0.628 1.00 0.00 C ATOM 490 C ALA A 37 65.884 9.835 -0.027 1.00 0.00 C ATOM 491 O ALA A 37 65.382 8.838 -0.546 1.00 0.00 O ATOM 492 CB ALA A 37 66.681 11.480 -1.735 1.00 0.00 C ATOM 0 H ALA A 37 66.469 12.969 0.209 1.00 0.00 H new ATOM 0 HA ALA A 37 64.666 11.251 -1.052 1.00 0.00 H new ATOM 0 HB1 ALA A 37 66.601 10.699 -2.491 1.00 0.00 H new ATOM 0 HB2 ALA A 37 66.480 12.449 -2.191 1.00 0.00 H new ATOM 0 HB3 ALA A 37 67.687 11.478 -1.316 1.00 0.00 H new ATOM 498 N ASP A 38 66.634 9.781 1.069 1.00 0.00 N ATOM 499 CA ASP A 38 66.915 8.518 1.741 1.00 0.00 C ATOM 500 C ASP A 38 65.743 8.099 2.623 1.00 0.00 C ATOM 501 O ASP A 38 65.361 6.929 2.652 1.00 0.00 O ATOM 502 CB ASP A 38 68.187 8.637 2.585 1.00 0.00 C ATOM 503 CG ASP A 38 69.069 7.408 2.477 1.00 0.00 C ATOM 504 OD1 ASP A 38 69.757 7.260 1.444 1.00 0.00 O ATOM 505 OD2 ASP A 38 69.071 6.594 3.423 1.00 0.00 O ATOM 0 H ASP A 38 67.058 10.597 1.510 1.00 0.00 H new ATOM 0 HA ASP A 38 67.064 7.754 0.978 1.00 0.00 H new ATOM 0 HB2 ASP A 38 68.750 9.514 2.267 1.00 0.00 H new ATOM 0 HB3 ASP A 38 67.914 8.795 3.628 1.00 0.00 H new ATOM 509 N LYS A 39 65.176 9.062 3.342 1.00 0.00 N ATOM 510 CA LYS A 39 64.047 8.794 4.225 1.00 0.00 C ATOM 511 C LYS A 39 62.806 8.418 3.421 1.00 0.00 C ATOM 512 O LYS A 39 62.138 7.428 3.721 1.00 0.00 O ATOM 513 CB LYS A 39 63.753 10.017 5.095 1.00 0.00 C ATOM 514 CG LYS A 39 64.327 9.920 6.497 1.00 0.00 C ATOM 515 CD LYS A 39 63.233 9.947 7.552 1.00 0.00 C ATOM 516 CE LYS A 39 62.767 11.368 7.835 1.00 0.00 C ATOM 517 NZ LYS A 39 61.380 11.603 7.346 1.00 0.00 N ATOM 0 H LYS A 39 65.480 10.036 3.330 1.00 0.00 H new ATOM 0 HA LYS A 39 64.311 7.954 4.868 1.00 0.00 H new ATOM 0 HB2 LYS A 39 64.156 10.904 4.607 1.00 0.00 H new ATOM 0 HB3 LYS A 39 62.674 10.153 5.162 1.00 0.00 H new ATOM 0 HG2 LYS A 39 64.903 8.999 6.592 1.00 0.00 H new ATOM 0 HG3 LYS A 39 65.017 10.746 6.666 1.00 0.00 H new ATOM 0 HD2 LYS A 39 62.388 9.346 7.217 1.00 0.00 H new ATOM 0 HD3 LYS A 39 63.602 9.494 8.472 1.00 0.00 H new ATOM 0 HE2 LYS A 39 62.811 11.558 8.907 1.00 0.00 H new ATOM 0 HE3 LYS A 39 63.445 12.075 7.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 61.099 12.582 7.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 61.343 11.446 6.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 60.729 10.946 7.820 1.00 0.00 H new ATOM 527 N VAL A 40 62.504 9.213 2.401 1.00 0.00 N ATOM 528 CA VAL A 40 61.345 8.962 1.552 1.00 0.00 C ATOM 529 C VAL A 40 61.450 7.604 0.867 1.00 0.00 C ATOM 530 O VAL A 40 60.452 6.903 0.695 1.00 0.00 O ATOM 531 CB VAL A 40 61.185 10.055 0.481 1.00 0.00 C ATOM 532 CG1 VAL A 40 62.437 10.149 -0.376 1.00 0.00 C ATOM 533 CG2 VAL A 40 59.959 9.784 -0.379 1.00 0.00 C ATOM 0 H VAL A 40 63.046 10.037 2.142 1.00 0.00 H new ATOM 0 HA VAL A 40 60.470 8.971 2.201 1.00 0.00 H new ATOM 0 HB VAL A 40 61.044 11.013 0.982 1.00 0.00 H new ATOM 0 HG11 VAL A 40 62.306 10.927 -1.128 1.00 0.00 H new ATOM 0 HG12 VAL A 40 63.292 10.394 0.254 1.00 0.00 H new ATOM 0 HG13 VAL A 40 62.613 9.193 -0.870 1.00 0.00 H new ATOM 0 HG21 VAL A 40 59.862 10.567 -1.131 1.00 0.00 H new ATOM 0 HG22 VAL A 40 60.067 8.818 -0.873 1.00 0.00 H new ATOM 0 HG23 VAL A 40 59.069 9.772 0.250 1.00 0.00 H new ATOM 543 N ALA A 41 62.666 7.237 0.475 1.00 0.00 N ATOM 544 CA ALA A 41 62.904 5.962 -0.190 1.00 0.00 C ATOM 545 C ALA A 41 62.874 4.809 0.807 1.00 0.00 C ATOM 546 O ALA A 41 62.261 3.772 0.554 1.00 0.00 O ATOM 547 CB ALA A 41 64.232 5.991 -0.929 1.00 0.00 C ATOM 0 H ALA A 41 63.502 7.806 0.607 1.00 0.00 H new ATOM 0 HA ALA A 41 62.104 5.803 -0.913 1.00 0.00 H new ATOM 0 HB1 ALA A 41 64.396 5.032 -1.421 1.00 0.00 H new ATOM 0 HB2 ALA A 41 64.215 6.784 -1.677 1.00 0.00 H new ATOM 0 HB3 ALA A 41 65.039 6.178 -0.220 1.00 0.00 H new ATOM 553 N GLY A 42 63.543 4.996 1.942 1.00 0.00 N ATOM 554 CA GLY A 42 63.581 3.962 2.959 1.00 0.00 C ATOM 555 C GLY A 42 62.228 3.726 3.596 1.00 0.00 C ATOM 556 O GLY A 42 61.886 2.595 3.947 1.00 0.00 O ATOM 0 H GLY A 42 64.059 5.845 2.174 1.00 0.00 H new ATOM 0 HA2 GLY A 42 63.937 3.033 2.515 1.00 0.00 H new ATOM 0 HA3 GLY A 42 64.298 4.242 3.730 1.00 0.00 H new ATOM 560 N LYS A 43 61.453 4.793 3.751 1.00 0.00 N ATOM 561 CA LYS A 43 60.127 4.698 4.351 1.00 0.00 C ATOM 562 C LYS A 43 59.221 3.788 3.527 1.00 0.00 C ATOM 563 O LYS A 43 58.235 3.254 4.036 1.00 0.00 O ATOM 564 CB LYS A 43 59.498 6.087 4.471 1.00 0.00 C ATOM 565 CG LYS A 43 59.652 6.708 5.849 1.00 0.00 C ATOM 566 CD LYS A 43 58.948 5.884 6.914 1.00 0.00 C ATOM 567 CE LYS A 43 57.718 6.600 7.449 1.00 0.00 C ATOM 568 NZ LYS A 43 56.779 6.983 6.358 1.00 0.00 N ATOM 0 H LYS A 43 61.720 5.736 3.469 1.00 0.00 H new ATOM 0 HA LYS A 43 60.236 4.268 5.347 1.00 0.00 H new ATOM 0 HB2 LYS A 43 59.952 6.747 3.732 1.00 0.00 H new ATOM 0 HB3 LYS A 43 58.437 6.018 4.229 1.00 0.00 H new ATOM 0 HG2 LYS A 43 60.711 6.793 6.094 1.00 0.00 H new ATOM 0 HG3 LYS A 43 59.244 7.719 5.841 1.00 0.00 H new ATOM 0 HD2 LYS A 43 58.657 4.920 6.496 1.00 0.00 H new ATOM 0 HD3 LYS A 43 59.637 5.681 7.733 1.00 0.00 H new ATOM 0 HE2 LYS A 43 57.203 5.955 8.161 1.00 0.00 H new ATOM 0 HE3 LYS A 43 58.026 7.493 7.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 55.819 7.084 6.746 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 57.081 7.887 5.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 56.780 6.246 5.624 1.00 0.00 H new ATOM 675 N GLY A 51 58.988 -2.407 7.111 1.00 0.00 N ATOM 676 CA GLY A 51 59.405 -1.425 8.094 1.00 0.00 C ATOM 677 C GLY A 51 59.248 -1.925 9.517 1.00 0.00 C ATOM 678 O GLY A 51 59.337 -1.149 10.468 1.00 0.00 O ATOM 0 HA2 GLY A 51 60.448 -1.160 7.918 1.00 0.00 H new ATOM 0 HA3 GLY A 51 58.819 -0.515 7.965 1.00 0.00 H new ATOM 682 N VAL A 52 59.013 -3.224 9.662 1.00 0.00 N ATOM 683 CA VAL A 52 58.843 -3.828 10.979 1.00 0.00 C ATOM 684 C VAL A 52 60.114 -3.698 11.812 1.00 0.00 C ATOM 685 O VAL A 52 60.067 -3.716 13.042 1.00 0.00 O ATOM 686 CB VAL A 52 58.464 -5.317 10.868 1.00 0.00 C ATOM 687 CG1 VAL A 52 58.208 -5.906 12.248 1.00 0.00 C ATOM 688 CG2 VAL A 52 57.248 -5.492 9.972 1.00 0.00 C ATOM 0 H VAL A 52 58.936 -3.879 8.884 1.00 0.00 H new ATOM 0 HA VAL A 52 58.033 -3.290 11.472 1.00 0.00 H new ATOM 0 HB VAL A 52 59.299 -5.854 10.418 1.00 0.00 H new ATOM 0 HG11 VAL A 52 57.941 -6.958 12.151 1.00 0.00 H new ATOM 0 HG12 VAL A 52 59.108 -5.814 12.855 1.00 0.00 H new ATOM 0 HG13 VAL A 52 57.390 -5.368 12.727 1.00 0.00 H new ATOM 0 HG21 VAL A 52 56.995 -6.550 9.905 1.00 0.00 H new ATOM 0 HG22 VAL A 52 56.405 -4.943 10.391 1.00 0.00 H new ATOM 0 HG23 VAL A 52 57.472 -5.109 8.976 1.00 0.00 H new ATOM 698 N PHE A 53 61.248 -3.567 11.132 1.00 0.00 N ATOM 699 CA PHE A 53 62.533 -3.435 11.808 1.00 0.00 C ATOM 700 C PHE A 53 62.892 -1.965 12.012 1.00 0.00 C ATOM 701 O PHE A 53 63.196 -1.538 13.125 1.00 0.00 O ATOM 702 CB PHE A 53 63.631 -4.132 11.004 1.00 0.00 C ATOM 703 CG PHE A 53 63.943 -5.518 11.493 1.00 0.00 C ATOM 704 CD1 PHE A 53 63.072 -6.566 11.245 1.00 0.00 C ATOM 705 CD2 PHE A 53 65.108 -5.772 12.201 1.00 0.00 C ATOM 706 CE1 PHE A 53 63.357 -7.842 11.695 1.00 0.00 C ATOM 707 CE2 PHE A 53 65.398 -7.046 12.652 1.00 0.00 C ATOM 708 CZ PHE A 53 64.521 -8.082 12.398 1.00 0.00 C ATOM 0 H PHE A 53 61.303 -3.549 10.114 1.00 0.00 H new ATOM 0 HA PHE A 53 62.451 -3.910 12.785 1.00 0.00 H new ATOM 0 HB2 PHE A 53 63.328 -4.184 9.958 1.00 0.00 H new ATOM 0 HB3 PHE A 53 64.538 -3.529 11.043 1.00 0.00 H new ATOM 0 HD1 PHE A 53 62.161 -6.385 10.694 1.00 0.00 H new ATOM 0 HD2 PHE A 53 65.797 -4.965 12.402 1.00 0.00 H new ATOM 0 HE1 PHE A 53 62.669 -8.651 11.497 1.00 0.00 H new ATOM 0 HE2 PHE A 53 66.309 -7.231 13.202 1.00 0.00 H new ATOM 0 HZ PHE A 53 64.745 -9.079 12.749 1.00 0.00 H new ATOM 717 N GLN A 54 62.854 -1.197 10.927 1.00 0.00 N ATOM 718 CA GLN A 54 63.176 0.223 10.986 1.00 0.00 C ATOM 719 C GLN A 54 62.263 0.949 11.968 1.00 0.00 C ATOM 720 O GLN A 54 62.638 1.971 12.543 1.00 0.00 O ATOM 721 CB GLN A 54 63.055 0.854 9.598 1.00 0.00 C ATOM 722 CG GLN A 54 64.395 1.183 8.959 1.00 0.00 C ATOM 723 CD GLN A 54 64.622 2.674 8.814 1.00 0.00 C ATOM 724 OE1 GLN A 54 65.243 3.306 9.668 1.00 0.00 O ATOM 725 NE2 GLN A 54 64.117 3.246 7.727 1.00 0.00 N ATOM 0 H GLN A 54 62.604 -1.535 9.998 1.00 0.00 H new ATOM 0 HA GLN A 54 64.204 0.321 11.334 1.00 0.00 H new ATOM 0 HB2 GLN A 54 62.508 0.173 8.945 1.00 0.00 H new ATOM 0 HB3 GLN A 54 62.464 1.767 9.673 1.00 0.00 H new ATOM 0 HG2 GLN A 54 65.196 0.754 9.562 1.00 0.00 H new ATOM 0 HG3 GLN A 54 64.450 0.714 7.977 1.00 0.00 H new ATOM 0 HE21 GLN A 54 63.609 2.684 7.044 1.00 0.00 H new ATOM 0 HE22 GLN A 54 64.237 4.247 7.575 1.00 0.00 H new ATOM 732 N GLY A 55 61.060 0.414 12.156 1.00 0.00 N ATOM 733 CA GLY A 55 60.110 1.024 13.068 1.00 0.00 C ATOM 734 C GLY A 55 60.685 1.223 14.455 1.00 0.00 C ATOM 735 O GLY A 55 60.243 2.098 15.200 1.00 0.00 O ATOM 0 H GLY A 55 60.727 -0.431 11.693 1.00 0.00 H new ATOM 0 HA2 GLY A 55 59.794 1.987 12.668 1.00 0.00 H new ATOM 0 HA3 GLY A 55 59.220 0.398 13.133 1.00 0.00 H new ATOM 739 N VAL A 56 61.673 0.405 14.809 1.00 0.00 N ATOM 740 CA VAL A 56 62.311 0.494 16.116 1.00 0.00 C ATOM 741 C VAL A 56 62.878 1.890 16.358 1.00 0.00 C ATOM 742 O VAL A 56 63.053 2.311 17.502 1.00 0.00 O ATOM 743 CB VAL A 56 63.442 -0.539 16.261 1.00 0.00 C ATOM 744 CG1 VAL A 56 64.594 -0.207 15.325 1.00 0.00 C ATOM 745 CG2 VAL A 56 63.921 -0.606 17.704 1.00 0.00 C ATOM 0 H VAL A 56 62.048 -0.328 14.207 1.00 0.00 H new ATOM 0 HA VAL A 56 61.541 0.284 16.858 1.00 0.00 H new ATOM 0 HB VAL A 56 63.052 -1.518 15.985 1.00 0.00 H new ATOM 0 HG11 VAL A 56 65.384 -0.949 15.443 1.00 0.00 H new ATOM 0 HG12 VAL A 56 64.239 -0.215 14.294 1.00 0.00 H new ATOM 0 HG13 VAL A 56 64.986 0.781 15.566 1.00 0.00 H new ATOM 0 HG21 VAL A 56 64.721 -1.342 17.788 1.00 0.00 H new ATOM 0 HG22 VAL A 56 64.294 0.372 18.009 1.00 0.00 H new ATOM 0 HG23 VAL A 56 63.092 -0.896 18.349 1.00 0.00 H new ATOM 755 N HIS A 57 63.162 2.602 15.273 1.00 0.00 N ATOM 756 CA HIS A 57 63.709 3.952 15.367 1.00 0.00 C ATOM 757 C HIS A 57 62.591 4.992 15.370 1.00 0.00 C ATOM 758 O HIS A 57 62.605 5.928 16.170 1.00 0.00 O ATOM 759 CB HIS A 57 64.665 4.220 14.205 1.00 0.00 C ATOM 760 CG HIS A 57 65.320 5.565 14.264 1.00 0.00 C ATOM 761 ND1 HIS A 57 66.237 5.914 15.233 1.00 0.00 N ATOM 762 CD2 HIS A 57 65.186 6.650 13.467 1.00 0.00 C ATOM 763 CE1 HIS A 57 66.637 7.156 15.030 1.00 0.00 C ATOM 764 NE2 HIS A 57 66.015 7.625 13.964 1.00 0.00 N ATOM 0 H HIS A 57 63.023 2.268 14.319 1.00 0.00 H new ATOM 0 HA HIS A 57 64.258 4.030 16.305 1.00 0.00 H new ATOM 0 HB2 HIS A 57 65.436 3.450 14.195 1.00 0.00 H new ATOM 0 HB3 HIS A 57 64.116 4.133 13.267 1.00 0.00 H new ATOM 0 HD2 HIS A 57 64.546 6.734 12.601 1.00 0.00 H new ATOM 0 HE1 HIS A 57 67.351 7.696 15.633 1.00 0.00 H new ATOM 0 HE2 HIS A 57 66.131 8.560 13.573 1.00 0.00 H new ATOM 771 N ASP A 58 61.629 4.820 14.472 1.00 0.00 N ATOM 772 CA ASP A 58 60.503 5.744 14.373 1.00 0.00 C ATOM 773 C ASP A 58 59.771 5.854 15.706 1.00 0.00 C ATOM 774 O ASP A 58 59.121 6.861 15.987 1.00 0.00 O ATOM 775 CB ASP A 58 59.536 5.286 13.281 1.00 0.00 C ATOM 776 CG ASP A 58 58.624 6.402 12.807 1.00 0.00 C ATOM 777 OD1 ASP A 58 59.105 7.549 12.689 1.00 0.00 O ATOM 778 OD2 ASP A 58 57.433 6.129 12.555 1.00 0.00 O ATOM 0 H ASP A 58 61.605 4.051 13.802 1.00 0.00 H new ATOM 0 HA ASP A 58 60.893 6.728 14.113 1.00 0.00 H new ATOM 0 HB2 ASP A 58 60.105 4.902 12.434 1.00 0.00 H new ATOM 0 HB3 ASP A 58 58.931 4.462 13.659 1.00 0.00 H new ATOM 782 N SER A 59 59.879 4.811 16.523 1.00 0.00 N ATOM 783 CA SER A 59 59.222 4.788 17.825 1.00 0.00 C ATOM 784 C SER A 59 59.904 5.750 18.793 1.00 0.00 C ATOM 785 O SER A 59 59.244 6.556 19.452 1.00 0.00 O ATOM 786 CB SER A 59 59.236 3.372 18.401 1.00 0.00 C ATOM 787 OG SER A 59 58.100 3.141 19.217 1.00 0.00 O ATOM 0 H SER A 59 60.415 3.971 16.306 1.00 0.00 H new ATOM 0 HA SER A 59 58.189 5.107 17.690 1.00 0.00 H new ATOM 0 HB2 SER A 59 59.257 2.646 17.588 1.00 0.00 H new ATOM 0 HB3 SER A 59 60.144 3.223 18.986 1.00 0.00 H new ATOM 0 HG SER A 59 58.132 2.228 19.572 1.00 0.00 H new ATOM 792 N ALA A 60 61.226 5.661 18.873 1.00 0.00 N ATOM 793 CA ALA A 60 61.997 6.524 19.759 1.00 0.00 C ATOM 794 C ALA A 60 61.797 7.993 19.405 1.00 0.00 C ATOM 795 O ALA A 60 61.958 8.873 20.252 1.00 0.00 O ATOM 796 CB ALA A 60 63.475 6.160 19.696 1.00 0.00 C ATOM 0 H ALA A 60 61.786 5.000 18.335 1.00 0.00 H new ATOM 0 HA ALA A 60 61.639 6.371 20.777 1.00 0.00 H new ATOM 0 HB1 ALA A 60 64.039 6.812 20.363 1.00 0.00 H new ATOM 0 HB2 ALA A 60 63.608 5.123 20.005 1.00 0.00 H new ATOM 0 HB3 ALA A 60 63.837 6.284 18.675 1.00 0.00 H new ATOM 802 N GLU A 61 61.448 8.253 18.149 1.00 0.00 N ATOM 803 CA GLU A 61 61.226 9.617 17.685 1.00 0.00 C ATOM 804 C GLU A 61 60.239 10.347 18.591 1.00 0.00 C ATOM 805 O GLU A 61 60.601 11.300 19.281 1.00 0.00 O ATOM 806 CB GLU A 61 60.707 9.611 16.245 1.00 0.00 C ATOM 807 CG GLU A 61 60.975 10.905 15.496 1.00 0.00 C ATOM 808 CD GLU A 61 60.176 11.011 14.210 1.00 0.00 C ATOM 809 OE1 GLU A 61 60.146 10.024 13.447 1.00 0.00 O ATOM 810 OE2 GLU A 61 59.582 12.083 13.970 1.00 0.00 O ATOM 0 H GLU A 61 61.313 7.537 17.435 1.00 0.00 H new ATOM 0 HA GLU A 61 62.179 10.144 17.718 1.00 0.00 H new ATOM 0 HB2 GLU A 61 61.170 8.786 15.704 1.00 0.00 H new ATOM 0 HB3 GLU A 61 59.633 9.423 16.255 1.00 0.00 H new ATOM 0 HG2 GLU A 61 60.733 11.750 16.140 1.00 0.00 H new ATOM 0 HG3 GLU A 61 62.038 10.974 15.266 1.00 0.00 H new ATOM 1021 N ARG A 79 20.594 7.293 19.255 1.00 0.00 N ATOM 1022 CA ARG A 79 19.941 6.447 18.262 1.00 0.00 C ATOM 1023 C ARG A 79 18.985 5.463 18.929 1.00 0.00 C ATOM 1024 O ARG A 79 18.012 5.018 18.321 1.00 0.00 O ATOM 1025 CB ARG A 79 20.986 5.686 17.445 1.00 0.00 C ATOM 1026 CG ARG A 79 21.374 6.382 16.151 1.00 0.00 C ATOM 1027 CD ARG A 79 20.422 6.026 15.020 1.00 0.00 C ATOM 1028 NE ARG A 79 20.300 7.108 14.047 1.00 0.00 N ATOM 1029 CZ ARG A 79 19.838 6.938 12.813 1.00 0.00 C ATOM 1030 NH1 ARG A 79 19.457 5.735 12.404 1.00 0.00 N ATOM 1031 NH2 ARG A 79 19.756 7.972 11.985 1.00 0.00 N ATOM 0 HA ARG A 79 19.365 7.089 17.596 1.00 0.00 H new ATOM 0 HB2 ARG A 79 21.879 5.546 18.054 1.00 0.00 H new ATOM 0 HB3 ARG A 79 20.600 4.694 17.212 1.00 0.00 H new ATOM 0 HG2 ARG A 79 21.373 7.461 16.303 1.00 0.00 H new ATOM 0 HG3 ARG A 79 22.390 6.100 15.875 1.00 0.00 H new ATOM 0 HD2 ARG A 79 20.776 5.125 14.518 1.00 0.00 H new ATOM 0 HD3 ARG A 79 19.439 5.796 15.432 1.00 0.00 H new ATOM 0 HE ARG A 79 20.585 8.046 14.330 1.00 0.00 H new ATOM 0 HH11 ARG A 79 19.518 4.938 13.037 1.00 0.00 H new ATOM 0 HH12 ARG A 79 19.103 5.607 11.456 1.00 0.00 H new ATOM 0 HH21 ARG A 79 20.048 8.899 12.296 1.00 0.00 H new ATOM 0 HH22 ARG A 79 19.401 7.840 11.038 1.00 0.00 H new ATOM 1042 N ASP A 80 19.269 5.129 20.184 1.00 0.00 N ATOM 1043 CA ASP A 80 18.435 4.197 20.934 1.00 0.00 C ATOM 1044 C ASP A 80 17.147 4.873 21.396 1.00 0.00 C ATOM 1045 O ASP A 80 16.063 4.297 21.297 1.00 0.00 O ATOM 1046 CB ASP A 80 19.201 3.653 22.141 1.00 0.00 C ATOM 1047 CG ASP A 80 19.297 2.140 22.130 1.00 0.00 C ATOM 1048 OD1 ASP A 80 18.249 1.479 21.984 1.00 0.00 O ATOM 1049 OD2 ASP A 80 20.423 1.616 22.269 1.00 0.00 O ATOM 0 H ASP A 80 20.070 5.490 20.703 1.00 0.00 H new ATOM 0 HA ASP A 80 18.174 3.369 20.275 1.00 0.00 H new ATOM 0 HB2 ASP A 80 20.205 4.078 22.153 1.00 0.00 H new ATOM 0 HB3 ASP A 80 18.707 3.976 23.057 1.00 0.00 H new ATOM 1053 N TYR A 81 17.274 6.095 21.900 1.00 0.00 N ATOM 1054 CA TYR A 81 16.120 6.847 22.381 1.00 0.00 C ATOM 1055 C TYR A 81 15.253 7.315 21.216 1.00 0.00 C ATOM 1056 O TYR A 81 14.025 7.254 21.279 1.00 0.00 O ATOM 1057 CB TYR A 81 16.579 8.051 23.206 1.00 0.00 C ATOM 1058 CG TYR A 81 15.439 8.846 23.800 1.00 0.00 C ATOM 1059 CD1 TYR A 81 14.350 8.207 24.382 1.00 0.00 C ATOM 1060 CD2 TYR A 81 15.449 10.236 23.782 1.00 0.00 C ATOM 1061 CE1 TYR A 81 13.305 8.928 24.926 1.00 0.00 C ATOM 1062 CE2 TYR A 81 14.410 10.965 24.326 1.00 0.00 C ATOM 1063 CZ TYR A 81 13.341 10.307 24.896 1.00 0.00 C ATOM 1064 OH TYR A 81 12.301 11.030 25.437 1.00 0.00 O ATOM 0 H TYR A 81 18.164 6.586 21.986 1.00 0.00 H new ATOM 0 HA TYR A 81 15.524 6.188 23.012 1.00 0.00 H new ATOM 0 HB2 TYR A 81 17.227 7.704 24.011 1.00 0.00 H new ATOM 0 HB3 TYR A 81 17.178 8.707 22.574 1.00 0.00 H new ATOM 0 HD1 TYR A 81 14.321 7.128 24.409 1.00 0.00 H new ATOM 0 HD2 TYR A 81 16.284 10.755 23.335 1.00 0.00 H new ATOM 0 HE1 TYR A 81 12.465 8.416 25.372 1.00 0.00 H new ATOM 0 HE2 TYR A 81 14.435 12.045 24.305 1.00 0.00 H new ATOM 0 HH TYR A 81 12.481 11.988 25.336 1.00 0.00 H new ATOM 1073 N MET A 82 15.902 7.783 20.153 1.00 0.00 N ATOM 1074 CA MET A 82 15.190 8.260 18.973 1.00 0.00 C ATOM 1075 C MET A 82 14.384 7.135 18.333 1.00 0.00 C ATOM 1076 O MET A 82 13.174 7.256 18.142 1.00 0.00 O ATOM 1077 CB MET A 82 16.175 8.839 17.957 1.00 0.00 C ATOM 1078 CG MET A 82 16.395 10.336 18.110 1.00 0.00 C ATOM 1079 SD MET A 82 15.095 11.313 17.330 1.00 0.00 S ATOM 1080 CE MET A 82 15.928 12.885 17.130 1.00 0.00 C ATOM 0 H MET A 82 16.918 7.842 20.085 1.00 0.00 H new ATOM 0 HA MET A 82 14.500 9.044 19.287 1.00 0.00 H new ATOM 0 HB2 MET A 82 17.132 8.327 18.058 1.00 0.00 H new ATOM 0 HB3 MET A 82 15.809 8.635 16.951 1.00 0.00 H new ATOM 0 HG2 MET A 82 16.445 10.585 19.170 1.00 0.00 H new ATOM 0 HG3 MET A 82 17.357 10.604 17.674 1.00 0.00 H new ATOM 0 HE1 MET A 82 15.251 13.598 16.659 1.00 0.00 H new ATOM 0 HE2 MET A 82 16.231 13.263 18.106 1.00 0.00 H new ATOM 0 HE3 MET A 82 16.809 12.752 16.503 1.00 0.00 H new ATOM 1088 N GLY A 83 15.062 6.040 18.003 1.00 0.00 N ATOM 1089 CA GLY A 83 14.391 4.909 17.387 1.00 0.00 C ATOM 1090 C GLY A 83 13.313 4.322 18.273 1.00 0.00 C ATOM 1091 O GLY A 83 12.280 3.865 17.785 1.00 0.00 O ATOM 0 H GLY A 83 16.064 5.916 18.151 1.00 0.00 H new ATOM 0 HA2 GLY A 83 13.949 5.224 16.442 1.00 0.00 H new ATOM 0 HA3 GLY A 83 15.125 4.138 17.154 1.00 0.00 H new ATOM 1095 N ALA A 84 13.552 4.331 19.581 1.00 0.00 N ATOM 1096 CA ALA A 84 12.592 3.795 20.537 1.00 0.00 C ATOM 1097 C ALA A 84 11.312 4.625 20.554 1.00 0.00 C ATOM 1098 O ALA A 84 10.215 4.095 20.384 1.00 0.00 O ATOM 1099 CB ALA A 84 13.207 3.742 21.929 1.00 0.00 C ATOM 0 H ALA A 84 14.403 4.704 20.002 1.00 0.00 H new ATOM 0 HA ALA A 84 12.334 2.783 20.226 1.00 0.00 H new ATOM 0 HB1 ALA A 84 12.479 3.340 22.633 1.00 0.00 H new ATOM 0 HB2 ALA A 84 14.089 3.102 21.913 1.00 0.00 H new ATOM 0 HB3 ALA A 84 13.494 4.747 22.238 1.00 0.00 H new ATOM 1105 N ALA A 85 11.461 5.929 20.762 1.00 0.00 N ATOM 1106 CA ALA A 85 10.317 6.832 20.801 1.00 0.00 C ATOM 1107 C ALA A 85 9.480 6.709 19.533 1.00 0.00 C ATOM 1108 O ALA A 85 8.261 6.886 19.561 1.00 0.00 O ATOM 1109 CB ALA A 85 10.783 8.267 20.990 1.00 0.00 C ATOM 0 H ALA A 85 12.363 6.384 20.906 1.00 0.00 H new ATOM 0 HA ALA A 85 9.692 6.551 21.648 1.00 0.00 H new ATOM 0 HB1 ALA A 85 9.918 8.930 21.017 1.00 0.00 H new ATOM 0 HB2 ALA A 85 11.334 8.350 21.927 1.00 0.00 H new ATOM 0 HB3 ALA A 85 11.432 8.551 20.161 1.00 0.00 H new ATOM 1115 N LYS A 86 10.139 6.407 18.419 1.00 0.00 N ATOM 1116 CA LYS A 86 9.455 6.261 17.140 1.00 0.00 C ATOM 1117 C LYS A 86 8.482 5.088 17.173 1.00 0.00 C ATOM 1118 O LYS A 86 7.293 5.247 16.897 1.00 0.00 O ATOM 1119 CB LYS A 86 10.475 6.060 16.015 1.00 0.00 C ATOM 1120 CG LYS A 86 11.152 7.345 15.571 1.00 0.00 C ATOM 1121 CD LYS A 86 10.149 8.341 15.016 1.00 0.00 C ATOM 1122 CE LYS A 86 10.748 9.161 13.882 1.00 0.00 C ATOM 1123 NZ LYS A 86 11.217 10.495 14.349 1.00 0.00 N ATOM 0 H LYS A 86 11.147 6.259 18.377 1.00 0.00 H new ATOM 0 HA LYS A 86 8.889 7.173 16.952 1.00 0.00 H new ATOM 0 HB2 LYS A 86 11.236 5.354 16.348 1.00 0.00 H new ATOM 0 HB3 LYS A 86 9.974 5.608 15.159 1.00 0.00 H new ATOM 0 HG2 LYS A 86 11.679 7.790 16.415 1.00 0.00 H new ATOM 0 HG3 LYS A 86 11.900 7.119 14.811 1.00 0.00 H new ATOM 0 HD2 LYS A 86 9.268 7.810 14.656 1.00 0.00 H new ATOM 0 HD3 LYS A 86 9.817 9.007 15.812 1.00 0.00 H new ATOM 0 HE2 LYS A 86 11.583 8.616 13.442 1.00 0.00 H new ATOM 0 HE3 LYS A 86 10.004 9.292 13.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 11.618 11.022 13.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 10.415 11.025 14.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 11.946 10.370 15.080 1.00 0.00 H new ATOM 1133 N SER A 87 8.994 3.909 17.517 1.00 0.00 N ATOM 1134 CA SER A 87 8.169 2.709 17.586 1.00 0.00 C ATOM 1135 C SER A 87 7.048 2.877 18.607 1.00 0.00 C ATOM 1136 O SER A 87 5.895 2.539 18.343 1.00 0.00 O ATOM 1137 CB SER A 87 9.027 1.495 17.947 1.00 0.00 C ATOM 1138 OG SER A 87 8.451 0.298 17.454 1.00 0.00 O ATOM 0 H SER A 87 9.975 3.760 17.752 1.00 0.00 H new ATOM 0 HA SER A 87 7.721 2.549 16.605 1.00 0.00 H new ATOM 0 HB2 SER A 87 10.028 1.618 17.534 1.00 0.00 H new ATOM 0 HB3 SER A 87 9.135 1.431 19.030 1.00 0.00 H new ATOM 0 HG SER A 87 9.019 -0.463 17.697 1.00 0.00 H new ATOM 1143 N LYS A 88 7.397 3.401 19.777 1.00 0.00 N ATOM 1144 CA LYS A 88 6.424 3.616 20.841 1.00 0.00 C ATOM 1145 C LYS A 88 5.359 4.620 20.410 1.00 0.00 C ATOM 1146 O LYS A 88 4.162 4.355 20.515 1.00 0.00 O ATOM 1147 CB LYS A 88 7.122 4.110 22.109 1.00 0.00 C ATOM 1148 CG LYS A 88 7.890 3.025 22.844 1.00 0.00 C ATOM 1149 CD LYS A 88 6.956 1.969 23.411 1.00 0.00 C ATOM 1150 CE LYS A 88 6.819 2.097 24.920 1.00 0.00 C ATOM 1151 NZ LYS A 88 8.038 1.620 25.630 1.00 0.00 N ATOM 0 H LYS A 88 8.348 3.685 20.012 1.00 0.00 H new ATOM 0 HA LYS A 88 5.937 2.663 21.050 1.00 0.00 H new ATOM 0 HB2 LYS A 88 7.809 4.914 21.845 1.00 0.00 H new ATOM 0 HB3 LYS A 88 6.377 4.535 22.782 1.00 0.00 H new ATOM 0 HG2 LYS A 88 8.601 2.556 22.163 1.00 0.00 H new ATOM 0 HG3 LYS A 88 8.469 3.472 23.652 1.00 0.00 H new ATOM 0 HD2 LYS A 88 5.974 2.063 22.946 1.00 0.00 H new ATOM 0 HD3 LYS A 88 7.333 0.977 23.162 1.00 0.00 H new ATOM 0 HE2 LYS A 88 6.631 3.139 25.181 1.00 0.00 H new ATOM 0 HE3 LYS A 88 5.955 1.524 25.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 7.905 1.724 26.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 8.203 0.619 25.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 8.858 2.184 25.329 1.00 0.00 H new ATOM 1161 N LEU A 89 5.805 5.773 19.921 1.00 0.00 N ATOM 1162 CA LEU A 89 4.890 6.816 19.472 1.00 0.00 C ATOM 1163 C LEU A 89 3.873 6.259 18.480 1.00 0.00 C ATOM 1164 O LEU A 89 2.666 6.401 18.668 1.00 0.00 O ATOM 1165 CB LEU A 89 5.671 7.964 18.828 1.00 0.00 C ATOM 1166 CG LEU A 89 4.839 9.146 18.331 1.00 0.00 C ATOM 1167 CD1 LEU A 89 3.832 9.574 19.388 1.00 0.00 C ATOM 1168 CD2 LEU A 89 5.741 10.311 17.950 1.00 0.00 C ATOM 0 H LEU A 89 6.793 6.008 19.826 1.00 0.00 H new ATOM 0 HA LEU A 89 4.352 7.193 20.342 1.00 0.00 H new ATOM 0 HB2 LEU A 89 6.396 8.335 19.552 1.00 0.00 H new ATOM 0 HB3 LEU A 89 6.237 7.565 17.986 1.00 0.00 H new ATOM 0 HG LEU A 89 4.291 8.830 17.443 1.00 0.00 H new ATOM 0 HD11 LEU A 89 3.249 10.417 19.015 1.00 0.00 H new ATOM 0 HD12 LEU A 89 3.164 8.742 19.612 1.00 0.00 H new ATOM 0 HD13 LEU A 89 4.360 9.870 20.294 1.00 0.00 H new ATOM 0 HD21 LEU A 89 5.131 11.143 17.598 1.00 0.00 H new ATOM 0 HD22 LEU A 89 6.317 10.625 18.821 1.00 0.00 H new ATOM 0 HD23 LEU A 89 6.422 10.000 17.158 1.00 0.00 H new ATOM 1179 N ASN A 90 4.372 5.625 17.423 1.00 0.00 N ATOM 1180 CA ASN A 90 3.505 5.046 16.402 1.00 0.00 C ATOM 1181 C ASN A 90 2.554 4.022 17.014 1.00 0.00 C ATOM 1182 O ASN A 90 1.458 3.794 16.499 1.00 0.00 O ATOM 1183 CB ASN A 90 4.346 4.385 15.307 1.00 0.00 C ATOM 1184 CG ASN A 90 3.920 4.813 13.916 1.00 0.00 C ATOM 1185 OD1 ASN A 90 4.104 5.966 13.525 1.00 0.00 O ATOM 1186 ND2 ASN A 90 3.347 3.883 13.160 1.00 0.00 N ATOM 0 H ASN A 90 5.370 5.499 17.251 1.00 0.00 H new ATOM 0 HA ASN A 90 2.913 5.849 15.963 1.00 0.00 H new ATOM 0 HB2 ASN A 90 5.396 4.637 15.457 1.00 0.00 H new ATOM 0 HB3 ASN A 90 4.263 3.302 15.393 1.00 0.00 H new ATOM 0 HD21 ASN A 90 3.040 4.112 12.215 1.00 0.00 H new ATOM 0 HD22 ASN A 90 3.214 2.940 13.525 1.00 0.00 H new ATOM 1192 N ASP A 91 2.977 3.411 18.114 1.00 0.00 N ATOM 1193 CA ASP A 91 2.161 2.413 18.797 1.00 0.00 C ATOM 1194 C ASP A 91 0.973 3.068 19.493 1.00 0.00 C ATOM 1195 O ASP A 91 -0.117 2.498 19.550 1.00 0.00 O ATOM 1196 CB ASP A 91 3.005 1.645 19.815 1.00 0.00 C ATOM 1197 CG ASP A 91 3.017 0.153 19.549 1.00 0.00 C ATOM 1198 OD1 ASP A 91 3.309 -0.241 18.399 1.00 0.00 O ATOM 1199 OD2 ASP A 91 2.736 -0.621 20.487 1.00 0.00 O ATOM 0 H ASP A 91 3.881 3.589 18.553 1.00 0.00 H new ATOM 0 HA ASP A 91 1.782 1.715 18.050 1.00 0.00 H new ATOM 0 HB2 ASP A 91 4.027 2.023 19.794 1.00 0.00 H new ATOM 0 HB3 ASP A 91 2.617 1.829 20.817 1.00 0.00 H new ATOM 1203 N ALA A 92 1.190 4.268 20.022 1.00 0.00 N ATOM 1204 CA ALA A 92 0.136 5.000 20.713 1.00 0.00 C ATOM 1205 C ALA A 92 -0.775 5.716 19.723 1.00 0.00 C ATOM 1206 O ALA A 92 -1.999 5.657 19.837 1.00 0.00 O ATOM 1207 CB ALA A 92 0.741 5.995 21.693 1.00 0.00 C ATOM 0 H ALA A 92 2.086 4.754 19.985 1.00 0.00 H new ATOM 0 HA ALA A 92 -0.468 4.282 21.267 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -0.057 6.535 22.202 1.00 0.00 H new ATOM 0 HB2 ALA A 92 1.344 5.461 22.427 1.00 0.00 H new ATOM 0 HB3 ALA A 92 1.370 6.702 21.152 1.00 0.00 H new ATOM 1213 N VAL A 93 -0.170 6.393 18.753 1.00 0.00 N ATOM 1214 CA VAL A 93 -0.928 7.122 17.742 1.00 0.00 C ATOM 1215 C VAL A 93 -1.962 6.220 17.073 1.00 0.00 C ATOM 1216 O VAL A 93 -3.151 6.531 17.055 1.00 0.00 O ATOM 1217 CB VAL A 93 -0.001 7.709 16.660 1.00 0.00 C ATOM 1218 CG1 VAL A 93 -0.784 8.616 15.721 1.00 0.00 C ATOM 1219 CG2 VAL A 93 1.153 8.463 17.303 1.00 0.00 C ATOM 0 H VAL A 93 0.843 6.452 18.645 1.00 0.00 H new ATOM 0 HA VAL A 93 -1.438 7.937 18.256 1.00 0.00 H new ATOM 0 HB VAL A 93 0.412 6.888 16.073 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -0.113 9.022 14.964 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -1.574 8.043 15.236 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -1.226 9.434 16.290 1.00 0.00 H new ATOM 0 HG21 VAL A 93 1.799 8.872 16.526 1.00 0.00 H new ATOM 0 HG22 VAL A 93 0.761 9.276 17.914 1.00 0.00 H new ATOM 0 HG23 VAL A 93 1.727 7.782 17.931 1.00 0.00 H new ATOM 1229 N GLU A 94 -1.497 5.101 16.528 1.00 0.00 N ATOM 1230 CA GLU A 94 -2.381 4.153 15.858 1.00 0.00 C ATOM 1231 C GLU A 94 -3.583 3.818 16.736 1.00 0.00 C ATOM 1232 O GLU A 94 -4.696 3.639 16.242 1.00 0.00 O ATOM 1233 CB GLU A 94 -1.620 2.875 15.504 1.00 0.00 C ATOM 1234 CG GLU A 94 -1.603 2.569 14.016 1.00 0.00 C ATOM 1235 CD GLU A 94 -2.303 1.268 13.678 1.00 0.00 C ATOM 1236 OE1 GLU A 94 -3.538 1.196 13.854 1.00 0.00 O ATOM 1237 OE2 GLU A 94 -1.617 0.322 13.237 1.00 0.00 O ATOM 0 H GLU A 94 -0.514 4.828 16.537 1.00 0.00 H new ATOM 0 HA GLU A 94 -2.742 4.617 14.940 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -0.594 2.963 15.860 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -2.070 2.036 16.034 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -2.082 3.386 13.476 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -0.570 2.521 13.671 1.00 0.00 H new ATOM 1242 N TYR A 95 -3.349 3.734 18.041 1.00 0.00 N ATOM 1243 CA TYR A 95 -4.410 3.418 18.989 1.00 0.00 C ATOM 1244 C TYR A 95 -5.310 4.626 19.225 1.00 0.00 C ATOM 1245 O TYR A 95 -6.530 4.500 19.315 1.00 0.00 O ATOM 1246 CB TYR A 95 -3.815 2.944 20.315 1.00 0.00 C ATOM 1247 CG TYR A 95 -4.846 2.425 21.293 1.00 0.00 C ATOM 1248 CD1 TYR A 95 -5.619 3.298 22.045 1.00 0.00 C ATOM 1249 CD2 TYR A 95 -5.046 1.061 21.461 1.00 0.00 C ATOM 1250 CE1 TYR A 95 -6.562 2.830 22.940 1.00 0.00 C ATOM 1251 CE2 TYR A 95 -5.988 0.582 22.352 1.00 0.00 C ATOM 1252 CZ TYR A 95 -6.743 1.470 23.089 1.00 0.00 C ATOM 1253 OH TYR A 95 -7.681 0.999 23.978 1.00 0.00 O ATOM 0 H TYR A 95 -2.434 3.880 18.466 1.00 0.00 H new ATOM 0 HA TYR A 95 -5.014 2.617 18.563 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -3.087 2.157 20.116 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -3.273 3.770 20.776 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -5.481 4.363 21.929 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -4.456 0.363 20.886 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -7.153 3.524 23.519 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -6.132 -0.482 22.470 1.00 0.00 H new ATOM 0 HH TYR A 95 -7.684 0.019 23.962 1.00 0.00 H new ATOM 1262 N VAL A 96 -4.695 5.801 19.325 1.00 0.00 N ATOM 1263 CA VAL A 96 -5.438 7.036 19.549 1.00 0.00 C ATOM 1264 C VAL A 96 -6.343 7.356 18.366 1.00 0.00 C ATOM 1265 O VAL A 96 -7.537 7.606 18.533 1.00 0.00 O ATOM 1266 CB VAL A 96 -4.490 8.225 19.793 1.00 0.00 C ATOM 1267 CG1 VAL A 96 -5.280 9.477 20.137 1.00 0.00 C ATOM 1268 CG2 VAL A 96 -3.493 7.896 20.894 1.00 0.00 C ATOM 0 H VAL A 96 -3.685 5.923 19.254 1.00 0.00 H new ATOM 0 HA VAL A 96 -6.049 6.880 20.438 1.00 0.00 H new ATOM 0 HB VAL A 96 -3.934 8.416 18.875 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -4.593 10.306 20.306 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -5.949 9.723 19.313 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -5.865 9.301 21.040 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -2.832 8.748 21.052 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -4.030 7.677 21.817 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -2.903 7.027 20.602 1.00 0.00 H new ATOM 1278 N SER A 97 -5.767 7.345 17.167 1.00 0.00 N ATOM 1279 CA SER A 97 -6.522 7.638 15.954 1.00 0.00 C ATOM 1280 C SER A 97 -7.664 6.643 15.772 1.00 0.00 C ATOM 1281 O SER A 97 -8.705 6.973 15.208 1.00 0.00 O ATOM 1282 CB SER A 97 -5.599 7.601 14.734 1.00 0.00 C ATOM 1283 OG SER A 97 -5.669 8.816 14.006 1.00 0.00 O ATOM 0 H SER A 97 -4.781 7.137 17.010 1.00 0.00 H new ATOM 0 HA SER A 97 -6.946 8.637 16.051 1.00 0.00 H new ATOM 0 HB2 SER A 97 -4.573 7.424 15.055 1.00 0.00 H new ATOM 0 HB3 SER A 97 -5.878 6.769 14.087 1.00 0.00 H new ATOM 0 HG SER A 97 -5.069 8.769 13.232 1.00 0.00 H new ATOM 1288 N GLY A 98 -7.458 5.421 16.255 1.00 0.00 N ATOM 1289 CA GLY A 98 -8.479 4.396 16.134 1.00 0.00 C ATOM 1290 C GLY A 98 -9.566 4.535 17.182 1.00 0.00 C ATOM 1291 O GLY A 98 -10.677 4.038 17.003 1.00 0.00 O ATOM 0 H GLY A 98 -6.604 5.123 16.727 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -8.926 4.448 15.141 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -8.016 3.413 16.223 1.00 0.00 H new ATOM 1295 N ARG A 99 -9.244 5.210 18.281 1.00 0.00 N ATOM 1296 CA ARG A 99 -10.201 5.410 19.362 1.00 0.00 C ATOM 1297 C ARG A 99 -11.010 6.686 19.143 1.00 0.00 C ATOM 1298 O ARG A 99 -12.235 6.686 19.272 1.00 0.00 O ATOM 1299 CB ARG A 99 -9.475 5.480 20.707 1.00 0.00 C ATOM 1300 CG ARG A 99 -9.531 4.182 21.497 1.00 0.00 C ATOM 1301 CD ARG A 99 -10.029 4.413 22.915 1.00 0.00 C ATOM 1302 NE ARG A 99 -9.908 3.214 23.739 1.00 0.00 N ATOM 1303 CZ ARG A 99 -10.273 3.161 25.016 1.00 0.00 C ATOM 1304 NH1 ARG A 99 -10.775 4.233 25.611 1.00 0.00 N ATOM 1305 NH2 ARG A 99 -10.132 2.032 25.701 1.00 0.00 N ATOM 0 H ARG A 99 -8.328 5.627 18.446 1.00 0.00 H new ATOM 0 HA ARG A 99 -10.886 4.562 19.369 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -8.432 5.746 20.534 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -9.913 6.279 21.305 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -10.188 3.475 20.990 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -8.539 3.731 21.528 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -9.462 5.225 23.371 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -11.072 4.729 22.886 1.00 0.00 H new ATOM 0 HE ARG A 99 -9.523 2.372 23.312 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -10.882 5.103 25.089 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -11.054 4.189 26.591 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -9.743 1.205 25.247 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -10.412 1.992 26.681 1.00 0.00 H new ATOM 1316 N VAL A 100 -10.317 7.770 18.810 1.00 0.00 N ATOM 1317 CA VAL A 100 -10.971 9.052 18.573 1.00 0.00 C ATOM 1318 C VAL A 100 -12.118 8.908 17.577 1.00 0.00 C ATOM 1319 O VAL A 100 -13.202 9.456 17.779 1.00 0.00 O ATOM 1320 CB VAL A 100 -9.975 10.100 18.043 1.00 0.00 C ATOM 1321 CG1 VAL A 100 -10.690 11.406 17.732 1.00 0.00 C ATOM 1322 CG2 VAL A 100 -8.854 10.322 19.046 1.00 0.00 C ATOM 0 H VAL A 100 -9.303 7.786 18.698 1.00 0.00 H new ATOM 0 HA VAL A 100 -11.366 9.388 19.532 1.00 0.00 H new ATOM 0 HB VAL A 100 -9.536 9.725 17.118 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -9.971 12.135 17.359 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -11.455 11.231 16.975 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -11.158 11.790 18.639 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -8.159 11.065 18.656 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -9.273 10.676 19.988 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -8.325 9.384 19.214 1.00 0.00 H new