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+ -151:sc= -0.134 (180deg=-0.732) 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= -0.048 K(o=-0.048,f=-1.3!) 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 -20:sc= -0.28 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 HIS : no HD1:sc=-0.00183 X(o=-0.0018,f=-0.0018) 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=-0.0089) USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 100 N PHE A 9 21.437 -1.174 -11.014 1.00 0.00 N ATOM 101 CA PHE A 9 20.186 -1.242 -11.760 1.00 0.00 C ATOM 102 C PHE A 9 19.159 -2.097 -11.022 1.00 0.00 C ATOM 103 O PHE A 9 17.954 -1.955 -11.228 1.00 0.00 O ATOM 104 CB PHE A 9 20.432 -1.812 -13.158 1.00 0.00 C ATOM 105 CG PHE A 9 19.952 -0.917 -14.264 1.00 0.00 C ATOM 106 CD1 PHE A 9 20.372 0.402 -14.338 1.00 0.00 C ATOM 107 CD2 PHE A 9 19.079 -1.394 -15.229 1.00 0.00 C ATOM 108 CE1 PHE A 9 19.930 1.228 -15.354 1.00 0.00 C ATOM 109 CE2 PHE A 9 18.634 -0.573 -16.248 1.00 0.00 C ATOM 110 CZ PHE A 9 19.061 0.740 -16.311 1.00 0.00 C ATOM 0 HA PHE A 9 19.791 -0.230 -11.853 1.00 0.00 H new ATOM 0 HB2 PHE A 9 21.499 -1.993 -13.285 1.00 0.00 H new ATOM 0 HB3 PHE A 9 19.933 -2.778 -13.241 1.00 0.00 H new ATOM 0 HD1 PHE A 9 21.052 0.788 -13.593 1.00 0.00 H new ATOM 0 HD2 PHE A 9 18.742 -2.419 -15.184 1.00 0.00 H new ATOM 0 HE1 PHE A 9 20.264 2.254 -15.400 1.00 0.00 H new ATOM 0 HE2 PHE A 9 17.954 -0.957 -16.994 1.00 0.00 H new ATOM 0 HZ PHE A 9 18.716 1.383 -17.107 1.00 0.00 H new ATOM 119 N GLY A 10 19.646 -2.987 -10.161 1.00 0.00 N ATOM 120 CA GLY A 10 18.759 -3.852 -9.409 1.00 0.00 C ATOM 121 C GLY A 10 17.876 -3.082 -8.448 1.00 0.00 C ATOM 122 O GLY A 10 16.651 -3.195 -8.493 1.00 0.00 O ATOM 0 H GLY A 10 20.639 -3.123 -9.972 1.00 0.00 H new ATOM 0 HA2 GLY A 10 18.133 -4.415 -10.101 1.00 0.00 H new ATOM 0 HA3 GLY A 10 19.351 -4.578 -8.852 1.00 0.00 H new ATOM 126 N GLU A 11 18.498 -2.297 -7.573 1.00 0.00 N ATOM 127 CA GLU A 11 17.759 -1.507 -6.596 1.00 0.00 C ATOM 128 C GLU A 11 16.693 -0.656 -7.278 1.00 0.00 C ATOM 129 O GLU A 11 15.617 -0.426 -6.725 1.00 0.00 O ATOM 130 CB GLU A 11 18.714 -0.610 -5.804 1.00 0.00 C ATOM 131 CG GLU A 11 19.012 0.715 -6.487 1.00 0.00 C ATOM 132 CD GLU A 11 20.117 1.491 -5.798 1.00 0.00 C ATOM 133 OE1 GLU A 11 20.825 0.898 -4.958 1.00 0.00 O ATOM 134 OE2 GLU A 11 20.273 2.693 -6.100 1.00 0.00 O ATOM 0 H GLU A 11 19.511 -2.192 -7.521 1.00 0.00 H new ATOM 0 HA GLU A 11 17.265 -2.195 -5.910 1.00 0.00 H new ATOM 0 HB2 GLU A 11 18.284 -0.414 -4.822 1.00 0.00 H new ATOM 0 HB3 GLU A 11 19.650 -1.144 -5.642 1.00 0.00 H new ATOM 0 HG2 GLU A 11 19.295 0.530 -7.523 1.00 0.00 H new ATOM 0 HG3 GLU A 11 18.106 1.321 -6.507 1.00 0.00 H new ATOM 139 N LYS A 12 16.999 -0.189 -8.483 1.00 0.00 N ATOM 140 CA LYS A 12 16.069 0.638 -9.244 1.00 0.00 C ATOM 141 C LYS A 12 14.992 -0.220 -9.900 1.00 0.00 C ATOM 142 O LYS A 12 13.809 0.119 -9.867 1.00 0.00 O ATOM 143 CB LYS A 12 16.819 1.437 -10.311 1.00 0.00 C ATOM 144 CG LYS A 12 18.027 2.186 -9.774 1.00 0.00 C ATOM 145 CD LYS A 12 17.638 3.139 -8.655 1.00 0.00 C ATOM 146 CE LYS A 12 17.988 4.577 -9.003 1.00 0.00 C ATOM 147 NZ LYS A 12 19.427 4.729 -9.354 1.00 0.00 N ATOM 0 H LYS A 12 17.885 -0.369 -8.955 1.00 0.00 H new ATOM 0 HA LYS A 12 15.588 1.330 -8.553 1.00 0.00 H new ATOM 0 HB2 LYS A 12 17.144 0.758 -11.099 1.00 0.00 H new ATOM 0 HB3 LYS A 12 16.133 2.151 -10.767 1.00 0.00 H new ATOM 0 HG2 LYS A 12 18.765 1.473 -9.406 1.00 0.00 H new ATOM 0 HG3 LYS A 12 18.499 2.745 -10.582 1.00 0.00 H new ATOM 0 HD2 LYS A 12 16.568 3.060 -8.463 1.00 0.00 H new ATOM 0 HD3 LYS A 12 18.149 2.851 -7.736 1.00 0.00 H new ATOM 0 HE2 LYS A 12 17.373 4.908 -9.840 1.00 0.00 H new ATOM 0 HE3 LYS A 12 17.750 5.223 -8.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 19.744 5.689 -9.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 19.989 4.033 -8.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 19.554 4.571 -10.374 1.00 0.00 H new ATOM 157 N ALA A 13 15.408 -1.334 -10.496 1.00 0.00 N ATOM 158 CA ALA A 13 14.478 -2.241 -11.156 1.00 0.00 C ATOM 159 C ALA A 13 13.336 -2.629 -10.225 1.00 0.00 C ATOM 160 O ALA A 13 12.163 -2.526 -10.588 1.00 0.00 O ATOM 161 CB ALA A 13 15.210 -3.484 -11.642 1.00 0.00 C ATOM 0 H ALA A 13 16.384 -1.629 -10.535 1.00 0.00 H new ATOM 0 HA ALA A 13 14.052 -1.723 -12.015 1.00 0.00 H new ATOM 0 HB1 ALA A 13 14.504 -4.153 -12.133 1.00 0.00 H new ATOM 0 HB2 ALA A 13 15.988 -3.195 -12.349 1.00 0.00 H new ATOM 0 HB3 ALA A 13 15.663 -3.995 -10.792 1.00 0.00 H new ATOM 167 N SER A 14 13.683 -3.075 -9.022 1.00 0.00 N ATOM 168 CA SER A 14 12.685 -3.483 -8.040 1.00 0.00 C ATOM 169 C SER A 14 11.783 -2.311 -7.663 1.00 0.00 C ATOM 170 O SER A 14 10.627 -2.501 -7.287 1.00 0.00 O ATOM 171 CB SER A 14 13.367 -4.039 -6.788 1.00 0.00 C ATOM 172 OG SER A 14 12.428 -4.660 -5.929 1.00 0.00 O ATOM 0 H SER A 14 14.648 -3.163 -8.704 1.00 0.00 H new ATOM 0 HA SER A 14 12.070 -4.264 -8.487 1.00 0.00 H new ATOM 0 HB2 SER A 14 14.132 -4.759 -7.077 1.00 0.00 H new ATOM 0 HB3 SER A 14 13.872 -3.232 -6.257 1.00 0.00 H new ATOM 0 HG SER A 14 12.889 -5.008 -5.137 1.00 0.00 H new ATOM 177 N GLU A 15 12.322 -1.101 -7.770 1.00 0.00 N ATOM 178 CA GLU A 15 11.565 0.103 -7.440 1.00 0.00 C ATOM 179 C GLU A 15 10.633 0.491 -8.584 1.00 0.00 C ATOM 180 O GLU A 15 9.527 0.982 -8.359 1.00 0.00 O ATOM 181 CB GLU A 15 12.516 1.259 -7.127 1.00 0.00 C ATOM 182 CG GLU A 15 13.124 1.188 -5.736 1.00 0.00 C ATOM 183 CD GLU A 15 12.779 2.395 -4.886 1.00 0.00 C ATOM 184 OE1 GLU A 15 11.573 2.659 -4.695 1.00 0.00 O ATOM 185 OE2 GLU A 15 13.713 3.075 -4.412 1.00 0.00 O ATOM 0 H GLU A 15 13.278 -0.927 -8.082 1.00 0.00 H new ATOM 0 HA GLU A 15 10.960 -0.109 -6.559 1.00 0.00 H new ATOM 0 HB2 GLU A 15 13.318 1.268 -7.865 1.00 0.00 H new ATOM 0 HB3 GLU A 15 11.977 2.200 -7.231 1.00 0.00 H new ATOM 0 HG2 GLU A 15 12.774 0.285 -5.236 1.00 0.00 H new ATOM 0 HG3 GLU A 15 14.208 1.106 -5.821 1.00 0.00 H new ATOM 190 N ALA A 16 11.089 0.266 -9.813 1.00 0.00 N ATOM 191 CA ALA A 16 10.298 0.591 -10.992 1.00 0.00 C ATOM 192 C ALA A 16 9.038 -0.267 -11.060 1.00 0.00 C ATOM 193 O ALA A 16 7.957 0.224 -11.385 1.00 0.00 O ATOM 194 CB ALA A 16 11.131 0.412 -12.253 1.00 0.00 C ATOM 0 H ALA A 16 12.002 -0.140 -10.017 1.00 0.00 H new ATOM 0 HA ALA A 16 9.992 1.635 -10.918 1.00 0.00 H new ATOM 0 HB1 ALA A 16 10.527 0.658 -13.126 1.00 0.00 H new ATOM 0 HB2 ALA A 16 11.998 1.072 -12.213 1.00 0.00 H new ATOM 0 HB3 ALA A 16 11.466 -0.623 -12.324 1.00 0.00 H new ATOM 200 N LEU A 17 9.186 -1.552 -10.756 1.00 0.00 N ATOM 201 CA LEU A 17 8.060 -2.479 -10.784 1.00 0.00 C ATOM 202 C LEU A 17 7.160 -2.278 -9.570 1.00 0.00 C ATOM 203 O LEU A 17 5.934 -2.343 -9.675 1.00 0.00 O ATOM 204 CB LEU A 17 8.564 -3.923 -10.825 1.00 0.00 C ATOM 205 CG LEU A 17 9.391 -4.379 -9.623 1.00 0.00 C ATOM 206 CD1 LEU A 17 8.489 -4.947 -8.538 1.00 0.00 C ATOM 207 CD2 LEU A 17 10.429 -5.410 -10.049 1.00 0.00 C ATOM 0 H LEU A 17 10.074 -1.975 -10.487 1.00 0.00 H new ATOM 0 HA LEU A 17 7.478 -2.278 -11.683 1.00 0.00 H new ATOM 0 HB2 LEU A 17 7.703 -4.585 -10.920 1.00 0.00 H new ATOM 0 HB3 LEU A 17 9.166 -4.051 -11.725 1.00 0.00 H new ATOM 0 HG LEU A 17 9.913 -3.513 -9.217 1.00 0.00 H new ATOM 0 HD11 LEU A 17 9.096 -5.266 -7.691 1.00 0.00 H new ATOM 0 HD12 LEU A 17 7.785 -4.181 -8.212 1.00 0.00 H new ATOM 0 HD13 LEU A 17 7.939 -5.801 -8.933 1.00 0.00 H new ATOM 0 HD21 LEU A 17 11.008 -5.723 -9.181 1.00 0.00 H new ATOM 0 HD22 LEU A 17 9.926 -6.275 -10.481 1.00 0.00 H new ATOM 0 HD23 LEU A 17 11.096 -4.970 -10.791 1.00 0.00 H new ATOM 218 N LYS A 18 7.773 -2.032 -8.419 1.00 0.00 N ATOM 219 CA LYS A 18 7.027 -1.818 -7.184 1.00 0.00 C ATOM 220 C LYS A 18 5.972 -0.732 -7.367 1.00 0.00 C ATOM 221 O LYS A 18 6.043 0.088 -8.284 1.00 0.00 O ATOM 222 CB LYS A 18 7.978 -1.433 -6.048 1.00 0.00 C ATOM 223 CG LYS A 18 8.180 -2.536 -5.023 1.00 0.00 C ATOM 224 CD LYS A 18 8.194 -1.985 -3.607 1.00 0.00 C ATOM 225 CE LYS A 18 9.437 -1.147 -3.348 1.00 0.00 C ATOM 226 NZ LYS A 18 9.148 0.015 -2.462 1.00 0.00 N ATOM 0 H LYS A 18 8.786 -1.976 -8.314 1.00 0.00 H new ATOM 0 HA LYS A 18 6.524 -2.750 -6.928 1.00 0.00 H new ATOM 0 HB2 LYS A 18 8.945 -1.161 -6.471 1.00 0.00 H new ATOM 0 HB3 LYS A 18 7.590 -0.548 -5.545 1.00 0.00 H new ATOM 0 HG2 LYS A 18 7.384 -3.274 -5.119 1.00 0.00 H new ATOM 0 HG3 LYS A 18 9.119 -3.052 -5.223 1.00 0.00 H new ATOM 0 HD2 LYS A 18 7.304 -1.378 -3.443 1.00 0.00 H new ATOM 0 HD3 LYS A 18 8.154 -2.809 -2.894 1.00 0.00 H new ATOM 0 HE2 LYS A 18 10.206 -1.770 -2.891 1.00 0.00 H new ATOM 0 HE3 LYS A 18 9.838 -0.790 -4.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 10.020 0.561 -2.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 8.433 0.623 -2.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 8.789 -0.326 -1.548 1.00 0.00 H new ATOM 311 N TYR A 25 11.335 12.203 -6.223 1.00 0.00 N ATOM 312 CA TYR A 25 12.294 13.240 -6.590 1.00 0.00 C ATOM 313 C TYR A 25 13.721 12.792 -6.288 1.00 0.00 C ATOM 314 O TYR A 25 14.668 13.218 -6.948 1.00 0.00 O ATOM 315 CB TYR A 25 11.985 14.537 -5.841 1.00 0.00 C ATOM 316 CG TYR A 25 11.330 15.593 -6.702 1.00 0.00 C ATOM 317 CD1 TYR A 25 10.215 15.292 -7.475 1.00 0.00 C ATOM 318 CD2 TYR A 25 11.827 16.889 -6.747 1.00 0.00 C ATOM 319 CE1 TYR A 25 9.613 16.254 -8.265 1.00 0.00 C ATOM 320 CE2 TYR A 25 11.231 17.856 -7.531 1.00 0.00 C ATOM 321 CZ TYR A 25 10.126 17.533 -8.289 1.00 0.00 C ATOM 322 OH TYR A 25 9.531 18.495 -9.074 1.00 0.00 O ATOM 0 HA TYR A 25 12.207 13.418 -7.662 1.00 0.00 H new ATOM 0 HB2 TYR A 25 11.333 14.313 -4.997 1.00 0.00 H new ATOM 0 HB3 TYR A 25 12.911 14.939 -5.430 1.00 0.00 H new ATOM 0 HD1 TYR A 25 9.812 14.290 -7.458 1.00 0.00 H new ATOM 0 HD2 TYR A 25 12.695 17.145 -6.158 1.00 0.00 H new ATOM 0 HE1 TYR A 25 8.746 16.005 -8.859 1.00 0.00 H new ATOM 0 HE2 TYR A 25 11.628 18.860 -7.550 1.00 0.00 H new ATOM 0 HH TYR A 25 10.014 19.342 -8.976 1.00 0.00 H new ATOM 331 N ALA A 26 13.865 11.929 -5.287 1.00 0.00 N ATOM 332 CA ALA A 26 15.174 11.422 -4.900 1.00 0.00 C ATOM 333 C ALA A 26 15.929 10.872 -6.104 1.00 0.00 C ATOM 334 O ALA A 26 17.105 11.175 -6.302 1.00 0.00 O ATOM 335 CB ALA A 26 15.029 10.348 -3.830 1.00 0.00 C ATOM 0 H ALA A 26 13.091 11.567 -4.730 1.00 0.00 H new ATOM 0 HA ALA A 26 15.751 12.252 -4.492 1.00 0.00 H new ATOM 0 HB1 ALA A 26 16.015 9.978 -3.550 1.00 0.00 H new ATOM 0 HB2 ALA A 26 14.538 10.771 -2.954 1.00 0.00 H new ATOM 0 HB3 ALA A 26 14.430 9.525 -4.219 1.00 0.00 H new ATOM 341 N GLU A 27 15.244 10.061 -6.907 1.00 0.00 N ATOM 342 CA GLU A 27 15.852 9.469 -8.092 1.00 0.00 C ATOM 343 C GLU A 27 15.934 10.485 -9.228 1.00 0.00 C ATOM 344 O GLU A 27 16.907 10.514 -9.979 1.00 0.00 O ATOM 345 CB GLU A 27 15.053 8.246 -8.545 1.00 0.00 C ATOM 346 CG GLU A 27 15.906 7.005 -8.754 1.00 0.00 C ATOM 347 CD GLU A 27 15.076 5.746 -8.915 1.00 0.00 C ATOM 348 OE1 GLU A 27 14.397 5.354 -7.944 1.00 0.00 O ATOM 349 OE2 GLU A 27 15.106 5.154 -10.015 1.00 0.00 O ATOM 0 H GLU A 27 14.269 9.800 -6.757 1.00 0.00 H new ATOM 0 HA GLU A 27 16.864 9.158 -7.832 1.00 0.00 H new ATOM 0 HB2 GLU A 27 14.286 8.028 -7.802 1.00 0.00 H new ATOM 0 HB3 GLU A 27 14.538 8.483 -9.476 1.00 0.00 H new ATOM 0 HG2 GLU A 27 16.528 7.141 -9.639 1.00 0.00 H new ATOM 0 HG3 GLU A 27 16.580 6.885 -7.906 1.00 0.00 H new ATOM 354 N GLN A 28 14.902 11.315 -9.347 1.00 0.00 N ATOM 355 CA GLN A 28 14.855 12.332 -10.391 1.00 0.00 C ATOM 356 C GLN A 28 16.100 13.213 -10.348 1.00 0.00 C ATOM 357 O GLN A 28 16.773 13.405 -11.359 1.00 0.00 O ATOM 358 CB GLN A 28 13.601 13.192 -10.240 1.00 0.00 C ATOM 359 CG GLN A 28 12.310 12.388 -10.233 1.00 0.00 C ATOM 360 CD GLN A 28 11.084 13.253 -10.450 1.00 0.00 C ATOM 361 OE1 GLN A 28 11.145 14.279 -11.127 1.00 0.00 O ATOM 362 NE2 GLN A 28 9.959 12.841 -9.874 1.00 0.00 N ATOM 0 H GLN A 28 14.087 11.303 -8.733 1.00 0.00 H new ATOM 0 HA GLN A 28 14.823 11.825 -11.356 1.00 0.00 H new ATOM 0 HB2 GLN A 28 13.670 13.761 -9.313 1.00 0.00 H new ATOM 0 HB3 GLN A 28 13.565 13.914 -11.056 1.00 0.00 H new ATOM 0 HG2 GLN A 28 12.356 11.627 -11.012 1.00 0.00 H new ATOM 0 HG3 GLN A 28 12.217 11.865 -9.281 1.00 0.00 H new ATOM 0 HE21 GLN A 28 9.953 11.984 -9.321 1.00 0.00 H new ATOM 0 HE22 GLN A 28 9.101 13.382 -9.985 1.00 0.00 H new ATOM 369 N GLY A 29 16.398 13.751 -9.168 1.00 0.00 N ATOM 370 CA GLY A 29 17.558 14.607 -9.016 1.00 0.00 C ATOM 371 C GLY A 29 18.854 13.891 -9.344 1.00 0.00 C ATOM 372 O GLY A 29 19.646 14.367 -10.158 1.00 0.00 O ATOM 0 H GLY A 29 15.856 13.608 -8.316 1.00 0.00 H new ATOM 0 HA2 GLY A 29 17.452 15.476 -9.665 1.00 0.00 H new ATOM 0 HA3 GLY A 29 17.600 14.978 -7.992 1.00 0.00 H new ATOM 376 N LYS A 30 19.072 12.746 -8.709 1.00 0.00 N ATOM 377 CA LYS A 30 20.281 11.961 -8.936 1.00 0.00 C ATOM 378 C LYS A 30 20.516 11.745 -10.429 1.00 0.00 C ATOM 379 O LYS A 30 21.586 12.059 -10.948 1.00 0.00 O ATOM 380 CB LYS A 30 20.180 10.612 -8.223 1.00 0.00 C ATOM 381 CG LYS A 30 20.009 10.729 -6.720 1.00 0.00 C ATOM 382 CD LYS A 30 19.422 9.460 -6.123 1.00 0.00 C ATOM 383 CE LYS A 30 20.498 8.599 -5.478 1.00 0.00 C ATOM 384 NZ LYS A 30 20.027 7.989 -4.202 1.00 0.00 N ATOM 0 H LYS A 30 18.427 12.339 -8.032 1.00 0.00 H new ATOM 0 HA LYS A 30 21.127 12.516 -8.529 1.00 0.00 H new ATOM 0 HB2 LYS A 30 19.337 10.056 -8.634 1.00 0.00 H new ATOM 0 HB3 LYS A 30 21.078 10.031 -8.434 1.00 0.00 H new ATOM 0 HG2 LYS A 30 20.974 10.936 -6.258 1.00 0.00 H new ATOM 0 HG3 LYS A 30 19.359 11.574 -6.492 1.00 0.00 H new ATOM 0 HD2 LYS A 30 18.669 9.721 -5.380 1.00 0.00 H new ATOM 0 HD3 LYS A 30 18.917 8.890 -6.902 1.00 0.00 H new ATOM 0 HE2 LYS A 30 20.796 7.811 -6.170 1.00 0.00 H new ATOM 0 HE3 LYS A 30 21.383 9.206 -5.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 20.788 7.410 -3.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 19.766 8.741 -3.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 19.198 7.390 -4.389 1.00 0.00 H new ATOM 394 N GLU A 31 19.507 11.207 -11.109 1.00 0.00 N ATOM 395 CA GLU A 31 19.606 10.951 -12.541 1.00 0.00 C ATOM 396 C GLU A 31 19.874 12.242 -13.309 1.00 0.00 C ATOM 397 O GLU A 31 20.506 12.229 -14.364 1.00 0.00 O ATOM 398 CB GLU A 31 18.321 10.296 -13.054 1.00 0.00 C ATOM 399 CG GLU A 31 18.067 10.532 -14.534 1.00 0.00 C ATOM 400 CD GLU A 31 19.191 10.010 -15.408 1.00 0.00 C ATOM 401 OE1 GLU A 31 19.919 9.100 -14.958 1.00 0.00 O ATOM 402 OE2 GLU A 31 19.342 10.513 -16.541 1.00 0.00 O ATOM 0 H GLU A 31 18.615 10.941 -10.692 1.00 0.00 H new ATOM 0 HA GLU A 31 20.443 10.272 -12.705 1.00 0.00 H new ATOM 0 HB2 GLU A 31 18.371 9.223 -12.869 1.00 0.00 H new ATOM 0 HB3 GLU A 31 17.475 10.679 -12.483 1.00 0.00 H new ATOM 0 HG2 GLU A 31 17.134 10.048 -14.821 1.00 0.00 H new ATOM 0 HG3 GLU A 31 17.939 11.600 -14.711 1.00 0.00 H new ATOM 407 N TYR A 32 19.385 13.355 -12.772 1.00 0.00 N ATOM 408 CA TYR A 32 19.569 14.654 -13.407 1.00 0.00 C ATOM 409 C TYR A 32 21.051 14.993 -13.537 1.00 0.00 C ATOM 410 O TYR A 32 21.521 15.366 -14.612 1.00 0.00 O ATOM 411 CB TYR A 32 18.854 15.742 -12.603 1.00 0.00 C ATOM 412 CG TYR A 32 18.797 17.078 -13.311 1.00 0.00 C ATOM 413 CD1 TYR A 32 19.875 17.953 -13.274 1.00 0.00 C ATOM 414 CD2 TYR A 32 17.664 17.463 -14.017 1.00 0.00 C ATOM 415 CE1 TYR A 32 19.826 19.175 -13.918 1.00 0.00 C ATOM 416 CE2 TYR A 32 17.606 18.682 -14.666 1.00 0.00 C ATOM 417 CZ TYR A 32 18.690 19.534 -14.613 1.00 0.00 C ATOM 418 OH TYR A 32 18.637 20.749 -15.258 1.00 0.00 O ATOM 0 H TYR A 32 18.858 13.383 -11.899 1.00 0.00 H new ATOM 0 HA TYR A 32 19.138 14.606 -14.407 1.00 0.00 H new ATOM 0 HB2 TYR A 32 17.838 15.412 -12.384 1.00 0.00 H new ATOM 0 HB3 TYR A 32 19.361 15.868 -11.647 1.00 0.00 H new ATOM 0 HD1 TYR A 32 20.767 17.674 -12.733 1.00 0.00 H new ATOM 0 HD2 TYR A 32 16.814 16.798 -14.059 1.00 0.00 H new ATOM 0 HE1 TYR A 32 20.672 19.845 -13.877 1.00 0.00 H new ATOM 0 HE2 TYR A 32 16.718 18.966 -15.211 1.00 0.00 H new ATOM 0 HH TYR A 32 17.768 20.847 -15.701 1.00 0.00 H new ATOM 427 N ILE A 33 21.780 14.860 -12.434 1.00 0.00 N ATOM 428 CA ILE A 33 23.209 15.149 -12.426 1.00 0.00 C ATOM 429 C ILE A 33 23.967 14.207 -13.354 1.00 0.00 C ATOM 430 O ILE A 33 24.701 14.646 -14.241 1.00 0.00 O ATOM 431 CB ILE A 33 23.797 15.037 -11.006 1.00 0.00 C ATOM 432 CG1 ILE A 33 22.901 15.762 -10.001 1.00 0.00 C ATOM 433 CG2 ILE A 33 25.207 15.605 -10.972 1.00 0.00 C ATOM 434 CD1 ILE A 33 22.183 14.831 -9.050 1.00 0.00 C ATOM 0 H ILE A 33 21.406 14.555 -11.536 1.00 0.00 H new ATOM 0 HA ILE A 33 23.326 16.173 -12.780 1.00 0.00 H new ATOM 0 HB ILE A 33 23.843 13.984 -10.729 1.00 0.00 H new ATOM 0 HG12 ILE A 33 23.507 16.461 -9.424 1.00 0.00 H new ATOM 0 HG13 ILE A 33 22.164 16.353 -10.544 1.00 0.00 H new ATOM 0 HG21 ILE A 33 25.610 15.519 -9.963 1.00 0.00 H new ATOM 0 HG22 ILE A 33 25.840 15.049 -11.664 1.00 0.00 H new ATOM 0 HG23 ILE A 33 25.184 16.655 -11.265 1.00 0.00 H new ATOM 0 HD11 ILE A 33 21.566 15.414 -8.366 1.00 0.00 H new ATOM 0 HD12 ILE A 33 21.550 14.149 -9.617 1.00 0.00 H new ATOM 0 HD13 ILE A 33 22.914 14.258 -8.480 1.00 0.00 H new ATOM 445 N THR A 34 23.784 12.906 -13.145 1.00 0.00 N ATOM 446 CA THR A 34 24.450 11.900 -13.963 1.00 0.00 C ATOM 447 C THR A 34 24.291 12.206 -15.448 1.00 0.00 C ATOM 448 O THR A 34 25.266 12.207 -16.199 1.00 0.00 O ATOM 449 CB THR A 34 23.899 10.490 -13.678 1.00 0.00 C ATOM 450 OG1 THR A 34 22.486 10.460 -13.914 1.00 0.00 O ATOM 451 CG2 THR A 34 24.188 10.075 -12.245 1.00 0.00 C ATOM 0 H THR A 34 23.180 12.525 -12.416 1.00 0.00 H new ATOM 0 HA THR A 34 25.508 11.928 -13.701 1.00 0.00 H new ATOM 0 HB THR A 34 24.394 9.788 -14.349 1.00 0.00 H new ATOM 0 HG1 THR A 34 22.130 11.373 -13.886 1.00 0.00 H new ATOM 0 HG21 THR A 34 23.789 9.076 -12.068 1.00 0.00 H new ATOM 0 HG22 THR A 34 25.265 10.071 -12.078 1.00 0.00 H new ATOM 0 HG23 THR A 34 23.717 10.780 -11.560 1.00 0.00 H new ATOM 459 N ASP A 35 23.057 12.464 -15.866 1.00 0.00 N ATOM 460 CA ASP A 35 22.769 12.772 -17.261 1.00 0.00 C ATOM 461 C ASP A 35 23.620 13.944 -17.743 1.00 0.00 C ATOM 462 O ASP A 35 24.046 13.982 -18.898 1.00 0.00 O ATOM 463 CB ASP A 35 21.286 13.094 -17.441 1.00 0.00 C ATOM 464 CG ASP A 35 20.714 12.502 -18.713 1.00 0.00 C ATOM 465 OD1 ASP A 35 20.787 11.266 -18.878 1.00 0.00 O ATOM 466 OD2 ASP A 35 20.193 13.273 -19.545 1.00 0.00 O ATOM 0 H ASP A 35 22.239 12.466 -15.257 1.00 0.00 H new ATOM 0 HA ASP A 35 23.015 11.895 -17.860 1.00 0.00 H new ATOM 0 HB2 ASP A 35 20.729 12.714 -16.585 1.00 0.00 H new ATOM 0 HB3 ASP A 35 21.151 14.176 -17.455 1.00 0.00 H new ATOM 470 N LYS A 36 23.860 14.900 -16.853 1.00 0.00 N ATOM 471 CA LYS A 36 24.658 16.075 -17.187 1.00 0.00 C ATOM 472 C LYS A 36 26.134 15.713 -17.301 1.00 0.00 C ATOM 473 O LYS A 36 26.826 16.170 -18.212 1.00 0.00 O ATOM 474 CB LYS A 36 24.467 17.163 -16.128 1.00 0.00 C ATOM 475 CG LYS A 36 23.046 17.691 -16.045 1.00 0.00 C ATOM 476 CD LYS A 36 22.891 18.997 -16.806 1.00 0.00 C ATOM 477 CE LYS A 36 22.190 20.053 -15.965 1.00 0.00 C ATOM 478 NZ LYS A 36 22.528 21.433 -16.409 1.00 0.00 N ATOM 0 H LYS A 36 23.513 14.885 -15.894 1.00 0.00 H new ATOM 0 HA LYS A 36 24.320 16.453 -18.152 1.00 0.00 H new ATOM 0 HB2 LYS A 36 24.755 16.765 -15.155 1.00 0.00 H new ATOM 0 HB3 LYS A 36 25.141 17.992 -16.345 1.00 0.00 H new ATOM 0 HG2 LYS A 36 22.357 16.949 -16.449 1.00 0.00 H new ATOM 0 HG3 LYS A 36 22.774 17.843 -15.001 1.00 0.00 H new ATOM 0 HD2 LYS A 36 23.873 19.363 -17.107 1.00 0.00 H new ATOM 0 HD3 LYS A 36 22.323 18.822 -17.719 1.00 0.00 H new ATOM 0 HE2 LYS A 36 21.111 19.907 -16.024 1.00 0.00 H new ATOM 0 HE3 LYS A 36 22.471 19.929 -14.919 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 22.030 22.122 -15.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 23.554 21.582 -16.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 22.236 21.560 -17.399 1.00 0.00 H new ATOM 488 N ALA A 37 26.612 14.890 -16.374 1.00 0.00 N ATOM 489 CA ALA A 37 28.006 14.466 -16.374 1.00 0.00 C ATOM 490 C ALA A 37 28.302 13.556 -17.561 1.00 0.00 C ATOM 491 O ALA A 37 29.440 13.478 -18.027 1.00 0.00 O ATOM 492 CB ALA A 37 28.343 13.759 -15.069 1.00 0.00 C ATOM 0 H ALA A 37 26.054 14.503 -15.613 1.00 0.00 H new ATOM 0 HA ALA A 37 28.630 15.355 -16.465 1.00 0.00 H new ATOM 0 HB1 ALA A 37 29.388 13.448 -15.083 1.00 0.00 H new ATOM 0 HB2 ALA A 37 28.178 14.439 -14.234 1.00 0.00 H new ATOM 0 HB3 ALA A 37 27.705 12.883 -14.955 1.00 0.00 H new ATOM 498 N ASP A 38 27.275 12.872 -18.048 1.00 0.00 N ATOM 499 CA ASP A 38 27.425 11.968 -19.182 1.00 0.00 C ATOM 500 C ASP A 38 27.487 12.746 -20.492 1.00 0.00 C ATOM 501 O ASP A 38 28.290 12.438 -21.374 1.00 0.00 O ATOM 502 CB ASP A 38 26.268 10.968 -19.223 1.00 0.00 C ATOM 503 CG ASP A 38 26.737 9.550 -19.490 1.00 0.00 C ATOM 504 OD1 ASP A 38 27.318 9.311 -20.568 1.00 0.00 O ATOM 505 OD2 ASP A 38 26.521 8.682 -18.619 1.00 0.00 O ATOM 0 H ASP A 38 26.327 12.926 -17.675 1.00 0.00 H new ATOM 0 HA ASP A 38 28.361 11.423 -19.058 1.00 0.00 H new ATOM 0 HB2 ASP A 38 25.732 10.998 -18.274 1.00 0.00 H new ATOM 0 HB3 ASP A 38 25.561 11.266 -19.998 1.00 0.00 H new ATOM 509 N LYS A 39 26.632 13.756 -20.615 1.00 0.00 N ATOM 510 CA LYS A 39 26.589 14.580 -21.819 1.00 0.00 C ATOM 511 C LYS A 39 27.861 15.411 -21.955 1.00 0.00 C ATOM 512 O LYS A 39 28.522 15.385 -22.994 1.00 0.00 O ATOM 513 CB LYS A 39 25.367 15.501 -21.786 1.00 0.00 C ATOM 514 CG LYS A 39 24.195 14.987 -22.605 1.00 0.00 C ATOM 515 CD LYS A 39 23.842 15.942 -23.733 1.00 0.00 C ATOM 516 CE LYS A 39 22.340 16.006 -23.959 1.00 0.00 C ATOM 517 NZ LYS A 39 21.969 17.088 -24.913 1.00 0.00 N ATOM 0 H LYS A 39 25.960 14.024 -19.896 1.00 0.00 H new ATOM 0 HA LYS A 39 26.515 13.917 -22.681 1.00 0.00 H new ATOM 0 HB2 LYS A 39 25.048 15.630 -20.752 1.00 0.00 H new ATOM 0 HB3 LYS A 39 25.654 16.485 -22.156 1.00 0.00 H new ATOM 0 HG2 LYS A 39 24.440 14.009 -23.019 1.00 0.00 H new ATOM 0 HG3 LYS A 39 23.329 14.851 -21.957 1.00 0.00 H new ATOM 0 HD2 LYS A 39 24.219 16.938 -23.499 1.00 0.00 H new ATOM 0 HD3 LYS A 39 24.336 15.622 -24.650 1.00 0.00 H new ATOM 0 HE2 LYS A 39 21.989 15.048 -24.342 1.00 0.00 H new ATOM 0 HE3 LYS A 39 21.836 16.172 -23.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 20.937 17.099 -25.041 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 22.281 18.006 -24.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 22.429 16.916 -25.829 1.00 0.00 H new ATOM 527 N VAL A 40 28.201 16.143 -20.900 1.00 0.00 N ATOM 528 CA VAL A 40 29.395 16.979 -20.902 1.00 0.00 C ATOM 529 C VAL A 40 30.639 16.159 -21.225 1.00 0.00 C ATOM 530 O VAL A 40 31.545 16.630 -21.912 1.00 0.00 O ATOM 531 CB VAL A 40 29.594 17.678 -19.544 1.00 0.00 C ATOM 532 CG1 VAL A 40 29.686 16.655 -18.424 1.00 0.00 C ATOM 533 CG2 VAL A 40 30.832 18.561 -19.575 1.00 0.00 C ATOM 0 H VAL A 40 27.666 16.174 -20.032 1.00 0.00 H new ATOM 0 HA VAL A 40 29.250 17.735 -21.674 1.00 0.00 H new ATOM 0 HB VAL A 40 28.729 18.312 -19.352 1.00 0.00 H new ATOM 0 HG11 VAL A 40 29.826 17.168 -17.473 1.00 0.00 H new ATOM 0 HG12 VAL A 40 28.767 16.071 -18.389 1.00 0.00 H new ATOM 0 HG13 VAL A 40 30.531 15.991 -18.606 1.00 0.00 H new ATOM 0 HG21 VAL A 40 30.957 19.047 -18.607 1.00 0.00 H new ATOM 0 HG22 VAL A 40 31.709 17.951 -19.790 1.00 0.00 H new ATOM 0 HG23 VAL A 40 30.719 19.319 -20.350 1.00 0.00 H new ATOM 543 N ALA A 41 30.675 14.928 -20.725 1.00 0.00 N ATOM 544 CA ALA A 41 31.807 14.040 -20.963 1.00 0.00 C ATOM 545 C ALA A 41 31.768 13.465 -22.375 1.00 0.00 C ATOM 546 O ALA A 41 32.745 13.551 -23.118 1.00 0.00 O ATOM 547 CB ALA A 41 31.822 12.918 -19.935 1.00 0.00 C ATOM 0 H ALA A 41 29.934 14.523 -20.153 1.00 0.00 H new ATOM 0 HA ALA A 41 32.722 14.624 -20.862 1.00 0.00 H new ATOM 0 HB1 ALA A 41 32.672 12.262 -20.124 1.00 0.00 H new ATOM 0 HB2 ALA A 41 31.907 13.342 -18.935 1.00 0.00 H new ATOM 0 HB3 ALA A 41 30.898 12.344 -20.009 1.00 0.00 H new ATOM 553 N GLY A 42 30.631 12.880 -22.739 1.00 0.00 N ATOM 554 CA GLY A 42 30.487 12.300 -24.063 1.00 0.00 C ATOM 555 C GLY A 42 30.683 13.320 -25.166 1.00 0.00 C ATOM 556 O GLY A 42 31.215 12.999 -26.230 1.00 0.00 O ATOM 0 H GLY A 42 29.808 12.797 -22.142 1.00 0.00 H new ATOM 0 HA2 GLY A 42 31.211 11.494 -24.184 1.00 0.00 H new ATOM 0 HA3 GLY A 42 29.496 11.855 -24.156 1.00 0.00 H new ATOM 560 N LYS A 43 30.254 14.552 -24.917 1.00 0.00 N ATOM 561 CA LYS A 43 30.384 15.623 -25.897 1.00 0.00 C ATOM 562 C LYS A 43 31.850 15.869 -26.241 1.00 0.00 C ATOM 563 O LYS A 43 32.167 16.430 -27.291 1.00 0.00 O ATOM 564 CB LYS A 43 29.750 16.909 -25.367 1.00 0.00 C ATOM 565 CG LYS A 43 28.351 17.163 -25.900 1.00 0.00 C ATOM 566 CD LYS A 43 28.351 17.331 -27.409 1.00 0.00 C ATOM 567 CE LYS A 43 27.316 18.355 -27.857 1.00 0.00 C ATOM 568 NZ LYS A 43 27.614 18.885 -29.216 1.00 0.00 N ATOM 0 H LYS A 43 29.812 14.834 -24.042 1.00 0.00 H new ATOM 0 HA LYS A 43 29.862 15.317 -26.804 1.00 0.00 H new ATOM 0 HB2 LYS A 43 29.712 16.863 -24.279 1.00 0.00 H new ATOM 0 HB3 LYS A 43 30.388 17.753 -25.629 1.00 0.00 H new ATOM 0 HG2 LYS A 43 27.700 16.333 -25.626 1.00 0.00 H new ATOM 0 HG3 LYS A 43 27.940 18.058 -25.433 1.00 0.00 H new ATOM 0 HD2 LYS A 43 29.341 17.644 -27.741 1.00 0.00 H new ATOM 0 HD3 LYS A 43 28.144 16.372 -27.883 1.00 0.00 H new ATOM 0 HE2 LYS A 43 26.327 17.897 -27.854 1.00 0.00 H new ATOM 0 HE3 LYS A 43 27.288 19.179 -27.144 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 26.887 19.579 -29.485 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 28.547 19.344 -29.213 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 27.616 18.102 -29.901 1.00 0.00 H new ATOM 675 N GLY A 51 38.335 5.915 -22.291 1.00 0.00 N ATOM 676 CA GLY A 51 37.760 5.989 -20.960 1.00 0.00 C ATOM 677 C GLY A 51 37.467 4.619 -20.378 1.00 0.00 C ATOM 678 O GLY A 51 36.773 4.501 -19.368 1.00 0.00 O ATOM 0 HA2 GLY A 51 38.445 6.522 -20.301 1.00 0.00 H new ATOM 0 HA3 GLY A 51 36.838 6.569 -20.997 1.00 0.00 H new ATOM 682 N VAL A 52 37.997 3.581 -21.018 1.00 0.00 N ATOM 683 CA VAL A 52 37.789 2.213 -20.558 1.00 0.00 C ATOM 684 C VAL A 52 38.403 1.997 -19.180 1.00 0.00 C ATOM 685 O VAL A 52 37.982 1.114 -18.432 1.00 0.00 O ATOM 686 CB VAL A 52 38.391 1.193 -21.542 1.00 0.00 C ATOM 687 CG1 VAL A 52 38.085 -0.228 -21.092 1.00 0.00 C ATOM 688 CG2 VAL A 52 37.870 1.439 -22.949 1.00 0.00 C ATOM 0 H VAL A 52 38.573 3.661 -21.856 1.00 0.00 H new ATOM 0 HA VAL A 52 36.712 2.059 -20.500 1.00 0.00 H new ATOM 0 HB VAL A 52 39.474 1.320 -21.553 1.00 0.00 H new ATOM 0 HG11 VAL A 52 38.518 -0.935 -21.800 1.00 0.00 H new ATOM 0 HG12 VAL A 52 38.512 -0.396 -20.103 1.00 0.00 H new ATOM 0 HG13 VAL A 52 37.005 -0.372 -21.050 1.00 0.00 H new ATOM 0 HG21 VAL A 52 38.306 0.709 -23.631 1.00 0.00 H new ATOM 0 HG22 VAL A 52 36.784 1.341 -22.957 1.00 0.00 H new ATOM 0 HG23 VAL A 52 38.146 2.444 -23.269 1.00 0.00 H new ATOM 698 N PHE A 53 39.400 2.812 -18.848 1.00 0.00 N ATOM 699 CA PHE A 53 40.072 2.709 -17.558 1.00 0.00 C ATOM 700 C PHE A 53 39.240 3.359 -16.458 1.00 0.00 C ATOM 701 O PHE A 53 39.306 2.957 -15.296 1.00 0.00 O ATOM 702 CB PHE A 53 41.453 3.369 -17.626 1.00 0.00 C ATOM 703 CG PHE A 53 42.580 2.386 -17.766 1.00 0.00 C ATOM 704 CD1 PHE A 53 42.718 1.629 -18.917 1.00 0.00 C ATOM 705 CD2 PHE A 53 43.501 2.221 -16.744 1.00 0.00 C ATOM 706 CE1 PHE A 53 43.754 0.723 -19.048 1.00 0.00 C ATOM 707 CE2 PHE A 53 44.541 1.318 -16.871 1.00 0.00 C ATOM 708 CZ PHE A 53 44.666 0.568 -18.024 1.00 0.00 C ATOM 0 H PHE A 53 39.759 3.550 -19.454 1.00 0.00 H new ATOM 0 HA PHE A 53 40.192 1.652 -17.321 1.00 0.00 H new ATOM 0 HB2 PHE A 53 41.476 4.059 -18.470 1.00 0.00 H new ATOM 0 HB3 PHE A 53 41.608 3.962 -16.725 1.00 0.00 H new ATOM 0 HD1 PHE A 53 42.008 1.748 -19.722 1.00 0.00 H new ATOM 0 HD2 PHE A 53 43.406 2.803 -15.839 1.00 0.00 H new ATOM 0 HE1 PHE A 53 43.849 0.137 -19.950 1.00 0.00 H new ATOM 0 HE2 PHE A 53 45.255 1.199 -16.069 1.00 0.00 H new ATOM 0 HZ PHE A 53 45.476 -0.139 -18.124 1.00 0.00 H new ATOM 717 N GLN A 54 38.457 4.367 -16.831 1.00 0.00 N ATOM 718 CA GLN A 54 37.613 5.072 -15.876 1.00 0.00 C ATOM 719 C GLN A 54 36.655 4.110 -15.180 1.00 0.00 C ATOM 720 O GLN A 54 36.214 4.360 -14.059 1.00 0.00 O ATOM 721 CB GLN A 54 36.823 6.177 -16.579 1.00 0.00 C ATOM 722 CG GLN A 54 37.323 7.578 -16.267 1.00 0.00 C ATOM 723 CD GLN A 54 36.252 8.456 -15.649 1.00 0.00 C ATOM 724 OE1 GLN A 54 35.408 9.011 -16.352 1.00 0.00 O ATOM 725 NE2 GLN A 54 36.281 8.584 -14.328 1.00 0.00 N ATOM 0 H GLN A 54 38.391 4.713 -17.788 1.00 0.00 H new ATOM 0 HA GLN A 54 38.259 5.521 -15.122 1.00 0.00 H new ATOM 0 HB2 GLN A 54 36.869 6.016 -17.656 1.00 0.00 H new ATOM 0 HB3 GLN A 54 35.775 6.102 -16.290 1.00 0.00 H new ATOM 0 HG2 GLN A 54 38.172 7.513 -15.586 1.00 0.00 H new ATOM 0 HG3 GLN A 54 37.684 8.043 -17.184 1.00 0.00 H new ATOM 0 HE21 GLN A 54 36.999 8.105 -13.785 1.00 0.00 H new ATOM 0 HE22 GLN A 54 35.585 9.161 -13.856 1.00 0.00 H new ATOM 732 N GLY A 55 36.338 3.008 -15.854 1.00 0.00 N ATOM 733 CA GLY A 55 35.435 2.025 -15.285 1.00 0.00 C ATOM 734 C GLY A 55 35.864 1.574 -13.902 1.00 0.00 C ATOM 735 O GLY A 55 35.033 1.182 -13.084 1.00 0.00 O ATOM 0 H GLY A 55 36.690 2.779 -16.783 1.00 0.00 H new ATOM 0 HA2 GLY A 55 34.431 2.447 -15.231 1.00 0.00 H new ATOM 0 HA3 GLY A 55 35.382 1.160 -15.946 1.00 0.00 H new ATOM 739 N VAL A 56 37.167 1.628 -13.643 1.00 0.00 N ATOM 740 CA VAL A 56 37.705 1.221 -12.350 1.00 0.00 C ATOM 741 C VAL A 56 37.100 2.045 -11.219 1.00 0.00 C ATOM 742 O VAL A 56 37.066 1.608 -10.068 1.00 0.00 O ATOM 743 CB VAL A 56 39.238 1.363 -12.311 1.00 0.00 C ATOM 744 CG1 VAL A 56 39.640 2.829 -12.377 1.00 0.00 C ATOM 745 CG2 VAL A 56 39.803 0.703 -11.064 1.00 0.00 C ATOM 0 H VAL A 56 37.868 1.949 -14.310 1.00 0.00 H new ATOM 0 HA VAL A 56 37.441 0.172 -12.213 1.00 0.00 H new ATOM 0 HB VAL A 56 39.654 0.857 -13.182 1.00 0.00 H new ATOM 0 HG11 VAL A 56 40.727 2.910 -12.348 1.00 0.00 H new ATOM 0 HG12 VAL A 56 39.268 3.267 -13.303 1.00 0.00 H new ATOM 0 HG13 VAL A 56 39.214 3.362 -11.527 1.00 0.00 H new ATOM 0 HG21 VAL A 56 40.887 0.813 -11.053 1.00 0.00 H new ATOM 0 HG22 VAL A 56 39.381 1.178 -10.178 1.00 0.00 H new ATOM 0 HG23 VAL A 56 39.546 -0.356 -11.065 1.00 0.00 H new ATOM 755 N HIS A 57 36.623 3.239 -11.553 1.00 0.00 N ATOM 756 CA HIS A 57 36.017 4.124 -10.565 1.00 0.00 C ATOM 757 C HIS A 57 34.691 3.557 -10.068 1.00 0.00 C ATOM 758 O HIS A 57 34.260 3.846 -8.952 1.00 0.00 O ATOM 759 CB HIS A 57 35.797 5.515 -11.162 1.00 0.00 C ATOM 760 CG HIS A 57 35.092 6.458 -10.237 1.00 0.00 C ATOM 761 ND1 HIS A 57 35.714 7.072 -9.171 1.00 0.00 N ATOM 762 CD2 HIS A 57 33.810 6.894 -10.226 1.00 0.00 C ATOM 763 CE1 HIS A 57 34.844 7.844 -8.542 1.00 0.00 C ATOM 764 NE2 HIS A 57 33.682 7.754 -9.163 1.00 0.00 N ATOM 0 H HIS A 57 36.644 3.616 -12.500 1.00 0.00 H new ATOM 0 HA HIS A 57 36.699 4.203 -9.718 1.00 0.00 H new ATOM 0 HB2 HIS A 57 36.762 5.941 -11.436 1.00 0.00 H new ATOM 0 HB3 HIS A 57 35.219 5.420 -12.081 1.00 0.00 H new ATOM 0 HD2 HIS A 57 33.033 6.617 -10.923 1.00 0.00 H new ATOM 0 HE1 HIS A 57 35.049 8.446 -7.669 1.00 0.00 H new ATOM 0 HE2 HIS A 57 32.828 8.244 -8.896 1.00 0.00 H new ATOM 771 N ASP A 58 34.048 2.747 -10.904 1.00 0.00 N ATOM 772 CA ASP A 58 32.772 2.139 -10.548 1.00 0.00 C ATOM 773 C ASP A 58 32.890 1.344 -9.253 1.00 0.00 C ATOM 774 O ASP A 58 31.905 1.145 -8.541 1.00 0.00 O ATOM 775 CB ASP A 58 32.285 1.229 -11.677 1.00 0.00 C ATOM 776 CG ASP A 58 30.990 0.520 -11.332 1.00 0.00 C ATOM 777 OD1 ASP A 58 30.028 1.205 -10.927 1.00 0.00 O ATOM 778 OD2 ASP A 58 30.939 -0.720 -11.463 1.00 0.00 O ATOM 0 H ASP A 58 34.390 2.497 -11.832 1.00 0.00 H new ATOM 0 HA ASP A 58 32.047 2.938 -10.396 1.00 0.00 H new ATOM 0 HB2 ASP A 58 32.142 1.821 -12.581 1.00 0.00 H new ATOM 0 HB3 ASP A 58 33.053 0.488 -11.900 1.00 0.00 H new ATOM 782 N SER A 59 34.104 0.890 -8.950 1.00 0.00 N ATOM 783 CA SER A 59 34.349 0.112 -7.743 1.00 0.00 C ATOM 784 C SER A 59 34.413 1.018 -6.516 1.00 0.00 C ATOM 785 O SER A 59 34.128 0.588 -5.399 1.00 0.00 O ATOM 786 CB SER A 59 35.654 -0.677 -7.877 1.00 0.00 C ATOM 787 OG SER A 59 36.349 -0.725 -6.642 1.00 0.00 O ATOM 0 H SER A 59 34.932 1.049 -9.525 1.00 0.00 H new ATOM 0 HA SER A 59 33.521 -0.586 -7.615 1.00 0.00 H new ATOM 0 HB2 SER A 59 35.437 -1.690 -8.216 1.00 0.00 H new ATOM 0 HB3 SER A 59 36.286 -0.215 -8.636 1.00 0.00 H new ATOM 0 HG SER A 59 37.178 -1.236 -6.753 1.00 0.00 H new ATOM 792 N ALA A 60 34.789 2.273 -6.736 1.00 0.00 N ATOM 793 CA ALA A 60 34.887 3.241 -5.650 1.00 0.00 C ATOM 794 C ALA A 60 33.527 3.488 -5.008 1.00 0.00 C ATOM 795 O ALA A 60 33.441 3.879 -3.845 1.00 0.00 O ATOM 796 CB ALA A 60 35.477 4.548 -6.159 1.00 0.00 C ATOM 0 H ALA A 60 35.031 2.643 -7.655 1.00 0.00 H new ATOM 0 HA ALA A 60 35.549 2.828 -4.889 1.00 0.00 H new ATOM 0 HB1 ALA A 60 35.544 5.261 -5.337 1.00 0.00 H new ATOM 0 HB2 ALA A 60 36.473 4.365 -6.563 1.00 0.00 H new ATOM 0 HB3 ALA A 60 34.837 4.956 -6.942 1.00 0.00 H new ATOM 802 N GLU A 61 32.466 3.258 -5.776 1.00 0.00 N ATOM 803 CA GLU A 61 31.108 3.458 -5.281 1.00 0.00 C ATOM 804 C GLU A 61 30.895 2.717 -3.963 1.00 0.00 C ATOM 805 O GLU A 61 30.775 3.334 -2.905 1.00 0.00 O ATOM 806 CB GLU A 61 30.089 2.979 -6.318 1.00 0.00 C ATOM 807 CG GLU A 61 29.874 3.961 -7.457 1.00 0.00 C ATOM 808 CD GLU A 61 29.440 5.331 -6.973 1.00 0.00 C ATOM 809 OE1 GLU A 61 28.554 5.398 -6.095 1.00 0.00 O ATOM 810 OE2 GLU A 61 29.986 6.338 -7.472 1.00 0.00 O ATOM 0 H GLU A 61 32.520 2.934 -6.742 1.00 0.00 H new ATOM 0 HA GLU A 61 30.965 4.524 -5.106 1.00 0.00 H new ATOM 0 HB2 GLU A 61 30.422 2.026 -6.729 1.00 0.00 H new ATOM 0 HB3 GLU A 61 29.136 2.797 -5.822 1.00 0.00 H new ATOM 0 HG2 GLU A 61 30.798 4.057 -8.028 1.00 0.00 H new ATOM 0 HG3 GLU A 61 29.120 3.564 -8.136 1.00 0.00 H new ATOM 1021 N ARG A 79 20.632 7.399 19.328 1.00 0.00 N ATOM 1022 CA ARG A 79 19.958 6.606 18.308 1.00 0.00 C ATOM 1023 C ARG A 79 19.078 5.534 18.944 1.00 0.00 C ATOM 1024 O ARG A 79 18.089 5.097 18.355 1.00 0.00 O ATOM 1025 CB ARG A 79 20.983 5.951 17.380 1.00 0.00 C ATOM 1026 CG ARG A 79 21.254 6.748 16.113 1.00 0.00 C ATOM 1027 CD ARG A 79 20.531 6.150 14.916 1.00 0.00 C ATOM 1028 NE ARG A 79 21.273 6.349 13.674 1.00 0.00 N ATOM 1029 CZ ARG A 79 21.308 7.504 13.017 1.00 0.00 C ATOM 1030 NH1 ARG A 79 20.649 8.555 13.480 1.00 0.00 N ATOM 1031 NH2 ARG A 79 22.005 7.606 11.892 1.00 0.00 N ATOM 0 HA ARG A 79 19.324 7.275 17.726 1.00 0.00 H new ATOM 0 HB2 ARG A 79 21.919 5.818 17.923 1.00 0.00 H new ATOM 0 HB3 ARG A 79 20.629 4.957 17.105 1.00 0.00 H new ATOM 0 HG2 ARG A 79 20.934 7.780 16.255 1.00 0.00 H new ATOM 0 HG3 ARG A 79 22.326 6.771 15.918 1.00 0.00 H new ATOM 0 HD2 ARG A 79 20.378 5.083 15.080 1.00 0.00 H new ATOM 0 HD3 ARG A 79 19.544 6.603 14.825 1.00 0.00 H new ATOM 0 HE ARG A 79 21.792 5.559 13.290 1.00 0.00 H new ATOM 0 HH11 ARG A 79 20.112 8.480 14.344 1.00 0.00 H new ATOM 0 HH12 ARG A 79 20.679 9.439 12.973 1.00 0.00 H new ATOM 0 HH21 ARG A 79 22.513 6.798 11.532 1.00 0.00 H new ATOM 0 HH22 ARG A 79 22.032 8.492 11.387 1.00 0.00 H new ATOM 1042 N ASP A 80 19.443 5.116 20.152 1.00 0.00 N ATOM 1043 CA ASP A 80 18.686 4.097 20.870 1.00 0.00 C ATOM 1044 C ASP A 80 17.404 4.683 21.453 1.00 0.00 C ATOM 1045 O ASP A 80 16.337 4.075 21.368 1.00 0.00 O ATOM 1046 CB ASP A 80 19.538 3.491 21.986 1.00 0.00 C ATOM 1047 CG ASP A 80 19.601 1.979 21.909 1.00 0.00 C ATOM 1048 OD1 ASP A 80 20.141 1.457 20.911 1.00 0.00 O ATOM 1049 OD2 ASP A 80 19.112 1.316 22.848 1.00 0.00 O ATOM 0 H ASP A 80 20.258 5.467 20.654 1.00 0.00 H new ATOM 0 HA ASP A 80 18.417 3.313 20.162 1.00 0.00 H new ATOM 0 HB2 ASP A 80 20.548 3.897 21.930 1.00 0.00 H new ATOM 0 HB3 ASP A 80 19.129 3.786 22.952 1.00 0.00 H new ATOM 1053 N TYR A 81 17.516 5.867 22.045 1.00 0.00 N ATOM 1054 CA TYR A 81 16.366 6.533 22.645 1.00 0.00 C ATOM 1055 C TYR A 81 15.418 7.056 21.571 1.00 0.00 C ATOM 1056 O TYR A 81 14.199 6.944 21.697 1.00 0.00 O ATOM 1057 CB TYR A 81 16.828 7.684 23.539 1.00 0.00 C ATOM 1058 CG TYR A 81 15.696 8.380 24.263 1.00 0.00 C ATOM 1059 CD1 TYR A 81 14.669 7.652 24.851 1.00 0.00 C ATOM 1060 CD2 TYR A 81 15.656 9.766 24.361 1.00 0.00 C ATOM 1061 CE1 TYR A 81 13.633 8.283 25.511 1.00 0.00 C ATOM 1062 CE2 TYR A 81 14.625 10.406 25.021 1.00 0.00 C ATOM 1063 CZ TYR A 81 13.616 9.660 25.595 1.00 0.00 C ATOM 1064 OH TYR A 81 12.587 10.292 26.253 1.00 0.00 O ATOM 0 H TYR A 81 18.391 6.385 22.122 1.00 0.00 H new ATOM 0 HA TYR A 81 15.830 5.803 23.252 1.00 0.00 H new ATOM 0 HB2 TYR A 81 17.537 7.301 24.273 1.00 0.00 H new ATOM 0 HB3 TYR A 81 17.362 8.414 22.931 1.00 0.00 H new ATOM 0 HD1 TYR A 81 14.681 6.574 24.791 1.00 0.00 H new ATOM 0 HD2 TYR A 81 16.445 10.353 23.913 1.00 0.00 H new ATOM 0 HE1 TYR A 81 12.841 7.702 25.959 1.00 0.00 H new ATOM 0 HE2 TYR A 81 14.609 11.484 25.087 1.00 0.00 H new ATOM 0 HH TYR A 81 12.726 11.262 26.222 1.00 0.00 H new ATOM 1073 N MET A 82 15.989 7.628 20.515 1.00 0.00 N ATOM 1074 CA MET A 82 15.195 8.168 19.417 1.00 0.00 C ATOM 1075 C MET A 82 14.392 7.065 18.733 1.00 0.00 C ATOM 1076 O MET A 82 13.171 7.153 18.618 1.00 0.00 O ATOM 1077 CB MET A 82 16.099 8.863 18.398 1.00 0.00 C ATOM 1078 CG MET A 82 16.276 10.351 18.659 1.00 0.00 C ATOM 1079 SD MET A 82 14.901 11.333 18.033 1.00 0.00 S ATOM 1080 CE MET A 82 14.775 12.588 19.306 1.00 0.00 C ATOM 0 H MET A 82 16.997 7.729 20.397 1.00 0.00 H new ATOM 0 HA MET A 82 14.499 8.898 19.830 1.00 0.00 H new ATOM 0 HB2 MET A 82 17.077 8.382 18.405 1.00 0.00 H new ATOM 0 HB3 MET A 82 15.682 8.724 17.400 1.00 0.00 H new ATOM 0 HG2 MET A 82 16.379 10.518 19.731 1.00 0.00 H new ATOM 0 HG3 MET A 82 17.201 10.690 18.193 1.00 0.00 H new ATOM 0 HE1 MET A 82 13.965 13.275 19.061 1.00 0.00 H new ATOM 0 HE2 MET A 82 14.571 12.113 20.266 1.00 0.00 H new ATOM 0 HE3 MET A 82 15.713 13.140 19.367 1.00 0.00 H new ATOM 1088 N GLY A 83 15.089 6.026 18.280 1.00 0.00 N ATOM 1089 CA GLY A 83 14.424 4.922 17.613 1.00 0.00 C ATOM 1090 C GLY A 83 13.330 4.306 18.461 1.00 0.00 C ATOM 1091 O GLY A 83 12.342 3.793 17.935 1.00 0.00 O ATOM 0 H GLY A 83 16.101 5.930 18.363 1.00 0.00 H new ATOM 0 HA2 GLY A 83 13.997 5.273 16.674 1.00 0.00 H new ATOM 0 HA3 GLY A 83 15.159 4.157 17.362 1.00 0.00 H new ATOM 1095 N ALA A 84 13.507 4.352 19.777 1.00 0.00 N ATOM 1096 CA ALA A 84 12.527 3.794 20.700 1.00 0.00 C ATOM 1097 C ALA A 84 11.252 4.631 20.720 1.00 0.00 C ATOM 1098 O ALA A 84 10.147 4.096 20.805 1.00 0.00 O ATOM 1099 CB ALA A 84 13.116 3.695 22.099 1.00 0.00 C ATOM 0 H ALA A 84 14.321 4.770 20.228 1.00 0.00 H new ATOM 0 HA ALA A 84 12.269 2.793 20.354 1.00 0.00 H new ATOM 0 HB1 ALA A 84 12.373 3.277 22.778 1.00 0.00 H new ATOM 0 HB2 ALA A 84 13.994 3.049 22.079 1.00 0.00 H new ATOM 0 HB3 ALA A 84 13.404 4.688 22.444 1.00 0.00 H new ATOM 1105 N ALA A 85 11.413 5.949 20.641 1.00 0.00 N ATOM 1106 CA ALA A 85 10.275 6.859 20.648 1.00 0.00 C ATOM 1107 C ALA A 85 9.431 6.693 19.389 1.00 0.00 C ATOM 1108 O ALA A 85 8.214 6.877 19.415 1.00 0.00 O ATOM 1109 CB ALA A 85 10.751 8.297 20.780 1.00 0.00 C ATOM 0 H ALA A 85 12.321 6.409 20.571 1.00 0.00 H new ATOM 0 HA ALA A 85 9.651 6.614 21.507 1.00 0.00 H new ATOM 0 HB1 ALA A 85 9.891 8.966 20.784 1.00 0.00 H new ATOM 0 HB2 ALA A 85 11.305 8.413 21.712 1.00 0.00 H new ATOM 0 HB3 ALA A 85 11.399 8.544 19.939 1.00 0.00 H new ATOM 1115 N LYS A 86 10.085 6.345 18.286 1.00 0.00 N ATOM 1116 CA LYS A 86 9.396 6.154 17.016 1.00 0.00 C ATOM 1117 C LYS A 86 8.416 4.989 17.098 1.00 0.00 C ATOM 1118 O LYS A 86 7.228 5.143 16.815 1.00 0.00 O ATOM 1119 CB LYS A 86 10.409 5.903 15.895 1.00 0.00 C ATOM 1120 CG LYS A 86 11.605 6.838 15.937 1.00 0.00 C ATOM 1121 CD LYS A 86 12.214 7.024 14.557 1.00 0.00 C ATOM 1122 CE LYS A 86 12.435 8.495 14.240 1.00 0.00 C ATOM 1123 NZ LYS A 86 13.685 8.713 13.461 1.00 0.00 N ATOM 0 H LYS A 86 11.092 6.189 18.246 1.00 0.00 H new ATOM 0 HA LYS A 86 8.836 7.063 16.796 1.00 0.00 H new ATOM 0 HB2 LYS A 86 10.761 4.873 15.958 1.00 0.00 H new ATOM 0 HB3 LYS A 86 9.908 6.010 14.933 1.00 0.00 H new ATOM 0 HG2 LYS A 86 11.298 7.806 16.334 1.00 0.00 H new ATOM 0 HG3 LYS A 86 12.357 6.438 16.617 1.00 0.00 H new ATOM 0 HD2 LYS A 86 13.164 6.492 14.502 1.00 0.00 H new ATOM 0 HD3 LYS A 86 11.558 6.583 13.806 1.00 0.00 H new ATOM 0 HE2 LYS A 86 11.584 8.877 13.676 1.00 0.00 H new ATOM 0 HE3 LYS A 86 12.482 9.064 15.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 13.799 9.728 13.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 14.500 8.372 14.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 13.630 8.191 12.563 1.00 0.00 H new ATOM 1133 N SER A 87 8.920 3.824 17.490 1.00 0.00 N ATOM 1134 CA SER A 87 8.088 2.630 17.608 1.00 0.00 C ATOM 1135 C SER A 87 6.973 2.845 18.628 1.00 0.00 C ATOM 1136 O SER A 87 5.815 2.506 18.379 1.00 0.00 O ATOM 1137 CB SER A 87 8.940 1.427 18.015 1.00 0.00 C ATOM 1138 OG SER A 87 8.395 0.221 17.508 1.00 0.00 O ATOM 0 H SER A 87 9.900 3.680 17.732 1.00 0.00 H new ATOM 0 HA SER A 87 7.636 2.434 16.636 1.00 0.00 H new ATOM 0 HB2 SER A 87 9.957 1.555 17.643 1.00 0.00 H new ATOM 0 HB3 SER A 87 9.003 1.373 19.102 1.00 0.00 H new ATOM 0 HG SER A 87 8.959 -0.533 17.781 1.00 0.00 H new ATOM 1143 N LYS A 88 7.331 3.412 19.775 1.00 0.00 N ATOM 1144 CA LYS A 88 6.361 3.675 20.833 1.00 0.00 C ATOM 1145 C LYS A 88 5.302 4.667 20.367 1.00 0.00 C ATOM 1146 O LYS A 88 4.103 4.415 20.489 1.00 0.00 O ATOM 1147 CB LYS A 88 7.069 4.213 22.078 1.00 0.00 C ATOM 1148 CG LYS A 88 7.832 3.154 22.853 1.00 0.00 C ATOM 1149 CD LYS A 88 6.894 2.126 23.465 1.00 0.00 C ATOM 1150 CE LYS A 88 6.768 2.314 24.969 1.00 0.00 C ATOM 1151 NZ LYS A 88 5.853 3.438 25.312 1.00 0.00 N ATOM 0 H LYS A 88 8.285 3.698 19.996 1.00 0.00 H new ATOM 0 HA LYS A 88 5.867 2.736 21.081 1.00 0.00 H new ATOM 0 HB2 LYS A 88 7.761 5.001 21.780 1.00 0.00 H new ATOM 0 HB3 LYS A 88 6.330 4.670 22.736 1.00 0.00 H new ATOM 0 HG2 LYS A 88 8.538 2.654 22.190 1.00 0.00 H new ATOM 0 HG3 LYS A 88 8.417 3.629 23.641 1.00 0.00 H new ATOM 0 HD2 LYS A 88 5.910 2.209 23.003 1.00 0.00 H new ATOM 0 HD3 LYS A 88 7.263 1.123 23.252 1.00 0.00 H new ATOM 0 HE2 LYS A 88 6.398 1.394 25.420 1.00 0.00 H new ATOM 0 HE3 LYS A 88 7.753 2.504 25.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 5.794 3.534 26.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 6.219 4.321 24.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 4.906 3.245 24.927 1.00 0.00 H new ATOM 1161 N LEU A 89 5.751 5.796 19.830 1.00 0.00 N ATOM 1162 CA LEU A 89 4.842 6.826 19.343 1.00 0.00 C ATOM 1163 C LEU A 89 3.815 6.237 18.379 1.00 0.00 C ATOM 1164 O LEU A 89 2.610 6.393 18.569 1.00 0.00 O ATOM 1165 CB LEU A 89 5.626 7.942 18.650 1.00 0.00 C ATOM 1166 CG LEU A 89 4.800 9.107 18.104 1.00 0.00 C ATOM 1167 CD1 LEU A 89 3.796 9.581 19.145 1.00 0.00 C ATOM 1168 CD2 LEU A 89 5.707 10.250 17.674 1.00 0.00 C ATOM 0 H LEU A 89 6.740 6.021 19.721 1.00 0.00 H new ATOM 0 HA LEU A 89 4.312 7.241 20.201 1.00 0.00 H new ATOM 0 HB2 LEU A 89 6.354 8.340 19.357 1.00 0.00 H new ATOM 0 HB3 LEU A 89 6.189 7.505 17.825 1.00 0.00 H new ATOM 0 HG LEU A 89 4.250 8.760 17.229 1.00 0.00 H new ATOM 0 HD11 LEU A 89 3.216 10.411 18.740 1.00 0.00 H new ATOM 0 HD12 LEU A 89 3.125 8.762 19.403 1.00 0.00 H new ATOM 0 HD13 LEU A 89 4.326 9.911 20.038 1.00 0.00 H new ATOM 0 HD21 LEU A 89 5.101 11.070 17.288 1.00 0.00 H new ATOM 0 HD22 LEU A 89 6.285 10.598 18.530 1.00 0.00 H new ATOM 0 HD23 LEU A 89 6.386 9.903 16.895 1.00 0.00 H new ATOM 1179 N ASN A 90 4.304 5.558 17.346 1.00 0.00 N ATOM 1180 CA ASN A 90 3.429 4.943 16.354 1.00 0.00 C ATOM 1181 C ASN A 90 2.474 3.952 17.012 1.00 0.00 C ATOM 1182 O ASN A 90 1.374 3.710 16.512 1.00 0.00 O ATOM 1183 CB ASN A 90 4.258 4.236 15.281 1.00 0.00 C ATOM 1184 CG ASN A 90 3.926 4.717 13.882 1.00 0.00 C ATOM 1185 OD1 ASN A 90 4.084 5.897 13.565 1.00 0.00 O ATOM 1186 ND2 ASN A 90 3.464 3.804 13.037 1.00 0.00 N ATOM 0 H ASN A 90 5.300 5.420 17.174 1.00 0.00 H new ATOM 0 HA ASN A 90 2.840 5.732 15.886 1.00 0.00 H new ATOM 0 HB2 ASN A 90 5.317 4.401 15.477 1.00 0.00 H new ATOM 0 HB3 ASN A 90 4.086 3.161 15.343 1.00 0.00 H new ATOM 0 HD21 ASN A 90 3.224 4.068 12.082 1.00 0.00 H new ATOM 0 HD22 ASN A 90 3.349 2.838 13.343 1.00 0.00 H new ATOM 1192 N ASP A 91 2.901 3.382 18.133 1.00 0.00 N ATOM 1193 CA ASP A 91 2.084 2.417 18.859 1.00 0.00 C ATOM 1194 C ASP A 91 0.905 3.107 19.539 1.00 0.00 C ATOM 1195 O ASP A 91 -0.186 2.543 19.632 1.00 0.00 O ATOM 1196 CB ASP A 91 2.929 1.683 19.900 1.00 0.00 C ATOM 1197 CG ASP A 91 2.647 0.193 19.928 1.00 0.00 C ATOM 1198 OD1 ASP A 91 1.520 -0.190 20.308 1.00 0.00 O ATOM 1199 OD2 ASP A 91 3.552 -0.589 19.572 1.00 0.00 O ATOM 0 H ASP A 91 3.808 3.571 18.559 1.00 0.00 H new ATOM 0 HA ASP A 91 1.696 1.694 18.142 1.00 0.00 H new ATOM 0 HB2 ASP A 91 3.985 1.846 19.687 1.00 0.00 H new ATOM 0 HB3 ASP A 91 2.734 2.105 20.886 1.00 0.00 H new ATOM 1203 N ALA A 92 1.131 4.329 20.009 1.00 0.00 N ATOM 1204 CA ALA A 92 0.087 5.094 20.679 1.00 0.00 C ATOM 1205 C ALA A 92 -0.827 5.778 19.667 1.00 0.00 C ATOM 1206 O ALA A 92 -2.050 5.749 19.804 1.00 0.00 O ATOM 1207 CB ALA A 92 0.705 6.124 21.614 1.00 0.00 C ATOM 0 H ALA A 92 2.027 4.810 19.938 1.00 0.00 H new ATOM 0 HA ALA A 92 -0.517 4.402 21.266 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -0.086 6.688 22.108 1.00 0.00 H new ATOM 0 HB2 ALA A 92 1.311 5.617 22.364 1.00 0.00 H new ATOM 0 HB3 ALA A 92 1.333 6.806 21.040 1.00 0.00 H new ATOM 1213 N VAL A 93 -0.226 6.391 18.653 1.00 0.00 N ATOM 1214 CA VAL A 93 -0.986 7.080 17.618 1.00 0.00 C ATOM 1215 C VAL A 93 -2.023 6.156 16.989 1.00 0.00 C ATOM 1216 O VAL A 93 -3.215 6.463 16.975 1.00 0.00 O ATOM 1217 CB VAL A 93 -0.062 7.624 16.511 1.00 0.00 C ATOM 1218 CG1 VAL A 93 -0.846 8.499 15.545 1.00 0.00 C ATOM 1219 CG2 VAL A 93 1.099 8.395 17.119 1.00 0.00 C ATOM 0 H VAL A 93 0.786 6.424 18.526 1.00 0.00 H new ATOM 0 HA VAL A 93 -1.493 7.915 18.102 1.00 0.00 H new ATOM 0 HB VAL A 93 0.344 6.781 15.953 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -0.178 8.875 14.770 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -1.641 7.912 15.085 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -1.282 9.339 16.086 1.00 0.00 H new ATOM 0 HG21 VAL A 93 1.742 8.772 16.323 1.00 0.00 H new ATOM 0 HG22 VAL A 93 0.714 9.232 17.702 1.00 0.00 H new ATOM 0 HG23 VAL A 93 1.674 7.735 17.768 1.00 0.00 H new ATOM 1229 N GLU A 94 -1.562 5.023 16.473 1.00 0.00 N ATOM 1230 CA GLU A 94 -2.450 4.053 15.843 1.00 0.00 C ATOM 1231 C GLU A 94 -3.639 3.739 16.745 1.00 0.00 C ATOM 1232 O GLU A 94 -4.756 3.529 16.269 1.00 0.00 O ATOM 1233 CB GLU A 94 -1.689 2.766 15.518 1.00 0.00 C ATOM 1234 CG GLU A 94 -1.682 2.419 14.038 1.00 0.00 C ATOM 1235 CD GLU A 94 -2.372 1.102 13.744 1.00 0.00 C ATOM 1236 OE1 GLU A 94 -1.825 0.047 14.127 1.00 0.00 O ATOM 1237 OE2 GLU A 94 -3.460 1.124 13.130 1.00 0.00 O ATOM 0 H GLU A 94 -0.578 4.753 16.478 1.00 0.00 H new ATOM 0 HA GLU A 94 -2.823 4.489 14.916 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -0.660 2.865 15.864 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -2.134 1.941 16.074 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -2.174 3.215 13.480 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -0.652 2.372 13.685 1.00 0.00 H new ATOM 1242 N TYR A 95 -3.393 3.709 18.050 1.00 0.00 N ATOM 1243 CA TYR A 95 -4.443 3.418 19.019 1.00 0.00 C ATOM 1244 C TYR A 95 -5.350 4.629 19.219 1.00 0.00 C ATOM 1245 O TYR A 95 -6.569 4.494 19.326 1.00 0.00 O ATOM 1246 CB TYR A 95 -3.829 3.000 20.357 1.00 0.00 C ATOM 1247 CG TYR A 95 -4.845 2.507 21.362 1.00 0.00 C ATOM 1248 CD1 TYR A 95 -5.628 3.400 22.082 1.00 0.00 C ATOM 1249 CD2 TYR A 95 -5.023 1.148 21.591 1.00 0.00 C ATOM 1250 CE1 TYR A 95 -6.557 2.954 23.002 1.00 0.00 C ATOM 1251 CE2 TYR A 95 -5.950 0.693 22.507 1.00 0.00 C ATOM 1252 CZ TYR A 95 -6.716 1.600 23.211 1.00 0.00 C ATOM 1253 OH TYR A 95 -7.640 1.151 24.126 1.00 0.00 O ATOM 0 H TYR A 95 -2.476 3.883 18.461 1.00 0.00 H new ATOM 0 HA TYR A 95 -5.044 2.596 18.630 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -3.094 2.214 20.180 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -3.292 3.848 20.782 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -5.509 4.461 21.920 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -4.425 0.435 21.042 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -7.156 3.662 23.555 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -6.075 -0.367 22.672 1.00 0.00 H new ATOM 0 HH TYR A 95 -7.626 0.171 24.151 1.00 0.00 H new ATOM 1262 N VAL A 96 -4.746 5.810 19.270 1.00 0.00 N ATOM 1263 CA VAL A 96 -5.498 7.046 19.455 1.00 0.00 C ATOM 1264 C VAL A 96 -6.399 7.326 18.258 1.00 0.00 C ATOM 1265 O VAL A 96 -7.597 7.563 18.413 1.00 0.00 O ATOM 1266 CB VAL A 96 -4.558 8.248 19.668 1.00 0.00 C ATOM 1267 CG1 VAL A 96 -5.360 9.514 19.926 1.00 0.00 C ATOM 1268 CG2 VAL A 96 -3.595 7.974 20.814 1.00 0.00 C ATOM 0 H VAL A 96 -3.738 5.938 19.186 1.00 0.00 H new ATOM 0 HA VAL A 96 -6.113 6.912 20.345 1.00 0.00 H new ATOM 0 HB VAL A 96 -3.974 8.396 18.760 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -4.679 10.352 20.074 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -6.005 9.717 19.071 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -5.972 9.382 20.818 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -2.938 8.833 20.951 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -4.160 7.799 21.730 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -2.996 7.093 20.583 1.00 0.00 H new ATOM 1278 N SER A 97 -5.815 7.297 17.064 1.00 0.00 N ATOM 1279 CA SER A 97 -6.566 7.549 15.839 1.00 0.00 C ATOM 1280 C SER A 97 -7.773 6.623 15.741 1.00 0.00 C ATOM 1281 O SER A 97 -8.834 7.016 15.256 1.00 0.00 O ATOM 1282 CB SER A 97 -5.665 7.364 14.617 1.00 0.00 C ATOM 1283 OG SER A 97 -5.834 8.424 13.693 1.00 0.00 O ATOM 0 H SER A 97 -4.824 7.102 16.919 1.00 0.00 H new ATOM 0 HA SER A 97 -6.923 8.579 15.866 1.00 0.00 H new ATOM 0 HB2 SER A 97 -4.623 7.316 14.934 1.00 0.00 H new ATOM 0 HB3 SER A 97 -5.895 6.415 14.132 1.00 0.00 H new ATOM 0 HG SER A 97 -5.246 8.283 12.922 1.00 0.00 H new ATOM 1288 N GLY A 98 -7.605 5.389 16.206 1.00 0.00 N ATOM 1289 CA GLY A 98 -8.689 4.425 16.161 1.00 0.00 C ATOM 1290 C GLY A 98 -9.731 4.675 17.233 1.00 0.00 C ATOM 1291 O GLY A 98 -10.879 4.246 17.103 1.00 0.00 O ATOM 0 H GLY A 98 -6.738 5.040 16.613 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -9.164 4.463 15.181 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -8.283 3.420 16.280 1.00 0.00 H new ATOM 1295 N ARG A 99 -9.334 5.368 18.294 1.00 0.00 N ATOM 1296 CA ARG A 99 -10.242 5.673 19.392 1.00 0.00 C ATOM 1297 C ARG A 99 -11.065 6.922 19.088 1.00 0.00 C ATOM 1298 O ARG A 99 -12.247 6.996 19.424 1.00 0.00 O ATOM 1299 CB ARG A 99 -9.458 5.869 20.691 1.00 0.00 C ATOM 1300 CG ARG A 99 -9.194 4.576 21.444 1.00 0.00 C ATOM 1301 CD ARG A 99 -10.165 4.398 22.601 1.00 0.00 C ATOM 1302 NE ARG A 99 -11.544 4.673 22.207 1.00 0.00 N ATOM 1303 CZ ARG A 99 -12.509 4.974 23.069 1.00 0.00 C ATOM 1304 NH1 ARG A 99 -12.247 5.038 24.366 1.00 0.00 N ATOM 1305 NH2 ARG A 99 -13.739 5.211 22.632 1.00 0.00 N ATOM 0 H ARG A 99 -8.388 5.729 18.417 1.00 0.00 H new ATOM 0 HA ARG A 99 -10.924 4.831 19.510 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -8.506 6.347 20.462 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -10.009 6.551 21.339 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -9.281 3.731 20.761 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -8.172 4.576 21.822 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -10.093 3.379 22.981 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -9.882 5.063 23.417 1.00 0.00 H new ATOM 0 HE ARG A 99 -11.779 4.632 21.215 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -11.302 4.856 24.705 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -12.990 5.269 25.026 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -13.944 5.162 21.634 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -14.480 5.442 23.294 1.00 0.00 H new ATOM 1316 N VAL A 100 -10.430 7.902 18.452 1.00 0.00 N ATOM 1317 CA VAL A 100 -11.102 9.148 18.102 1.00 0.00 C ATOM 1318 C VAL A 100 -12.405 8.879 17.359 1.00 0.00 C ATOM 1319 O VAL A 100 -13.441 9.471 17.664 1.00 0.00 O ATOM 1320 CB VAL A 100 -10.202 10.044 17.231 1.00 0.00 C ATOM 1321 CG1 VAL A 100 -10.945 11.308 16.820 1.00 0.00 C ATOM 1322 CG2 VAL A 100 -8.918 10.388 17.969 1.00 0.00 C ATOM 0 H VAL A 100 -9.451 7.857 18.169 1.00 0.00 H new ATOM 0 HA VAL A 100 -11.321 9.664 19.037 1.00 0.00 H new ATOM 0 HB VAL A 100 -9.938 9.495 16.327 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -10.294 11.929 16.205 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -11.834 11.038 16.250 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -11.240 11.863 17.711 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -8.294 11.022 17.338 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -9.159 10.918 18.891 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -8.379 9.471 18.208 1.00 0.00 H new