USER MOD reduce.3.24.130724 H: found=0, std=0, add=439, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 440 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 14 SER OG : rot 14:sc= 0.602 USER MOD Single : A 15 TYR OH : rot -28:sc= 0.603 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= -0.0178 USER MOD Single : A 28 TYR OH : rot -178:sc= 0.384 USER MOD Single : A 31 THR OG1 : rot 140:sc= -0.652 USER MOD Single : A 32 ASN : amide:sc= 0 X(o=0,f=-0.025) USER MOD Single : A 33 SER OG : rot 180:sc= 0.0172 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0.242 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN : amide:sc= -1.37 K(o=-1.4,f=-9.4!) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 GLN : amide:sc= -0.366 K(o=-0.37,f=-3.7!) USER MOD Single : A 60 GLN :FLIP amide:sc= -2.07 F(o=-2.9,f=-2.1) USER MOD Single : A 63 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 65 MET CE :methyl -128:sc= -0.329 (180deg=-1.69!) USER MOD ----------------------------------------------------------------- ATOM 150 N CYS A 11 59.898 -5.221 -11.477 1.00 0.00 N ATOM 151 CA CYS A 11 59.939 -6.215 -10.369 1.00 0.00 C ATOM 152 C CYS A 11 61.379 -6.371 -9.876 1.00 0.00 C ATOM 153 O CYS A 11 62.323 -6.171 -10.615 1.00 0.00 O ATOM 154 CB CYS A 11 59.424 -7.564 -10.875 1.00 0.00 C ATOM 155 SG CYS A 11 57.877 -7.319 -11.781 1.00 0.00 S ATOM 0 HA CYS A 11 59.310 -5.870 -9.548 1.00 0.00 H new ATOM 0 HB2 CYS A 11 60.167 -8.029 -11.523 1.00 0.00 H new ATOM 0 HB3 CYS A 11 59.263 -8.242 -10.036 1.00 0.00 H new ATOM 160 N CYS A 12 61.556 -6.727 -8.633 1.00 0.00 N ATOM 161 CA CYS A 12 62.935 -6.895 -8.095 1.00 0.00 C ATOM 162 C CYS A 12 63.299 -8.381 -8.081 1.00 0.00 C ATOM 163 O CYS A 12 62.871 -9.127 -7.222 1.00 0.00 O ATOM 164 CB CYS A 12 62.997 -6.341 -6.670 1.00 0.00 C ATOM 165 SG CYS A 12 63.389 -4.575 -6.726 1.00 0.00 S ATOM 0 H CYS A 12 60.805 -6.909 -7.967 1.00 0.00 H new ATOM 0 HA CYS A 12 63.640 -6.354 -8.726 1.00 0.00 H new ATOM 0 HB2 CYS A 12 62.043 -6.497 -6.166 1.00 0.00 H new ATOM 0 HB3 CYS A 12 63.753 -6.874 -6.094 1.00 0.00 H new ATOM 170 N ILE A 13 64.086 -8.818 -9.026 1.00 0.00 N ATOM 171 CA ILE A 13 64.476 -10.256 -9.066 1.00 0.00 C ATOM 172 C ILE A 13 65.799 -10.451 -8.322 1.00 0.00 C ATOM 173 O ILE A 13 66.361 -11.528 -8.309 1.00 0.00 O ATOM 174 CB ILE A 13 64.640 -10.698 -10.521 1.00 0.00 C ATOM 175 CG1 ILE A 13 64.996 -12.186 -10.565 1.00 0.00 C ATOM 176 CG2 ILE A 13 65.760 -9.888 -11.177 1.00 0.00 C ATOM 177 CD1 ILE A 13 63.996 -12.925 -11.456 1.00 0.00 C ATOM 0 H ILE A 13 64.476 -8.242 -9.772 1.00 0.00 H new ATOM 0 HA ILE A 13 63.701 -10.855 -8.588 1.00 0.00 H new ATOM 0 HB ILE A 13 63.707 -10.531 -11.059 1.00 0.00 H new ATOM 0 HG12 ILE A 13 66.008 -12.317 -10.949 1.00 0.00 H new ATOM 0 HG13 ILE A 13 64.980 -12.604 -9.559 1.00 0.00 H new ATOM 0 HG21 ILE A 13 65.877 -10.203 -12.214 1.00 0.00 H new ATOM 0 HG22 ILE A 13 65.509 -8.828 -11.146 1.00 0.00 H new ATOM 0 HG23 ILE A 13 66.693 -10.056 -10.639 1.00 0.00 H new ATOM 0 HD11 ILE A 13 64.250 -13.985 -11.487 1.00 0.00 H new ATOM 0 HD12 ILE A 13 62.991 -12.805 -11.052 1.00 0.00 H new ATOM 0 HD13 ILE A 13 64.034 -12.513 -12.465 1.00 0.00 H new ATOM 189 N SER A 14 66.302 -9.419 -7.701 1.00 0.00 N ATOM 190 CA SER A 14 67.588 -9.551 -6.960 1.00 0.00 C ATOM 191 C SER A 14 67.634 -8.523 -5.829 1.00 0.00 C ATOM 192 O SER A 14 67.243 -7.385 -5.995 1.00 0.00 O ATOM 193 CB SER A 14 68.755 -9.308 -7.918 1.00 0.00 C ATOM 194 OG SER A 14 68.914 -10.441 -8.761 1.00 0.00 O ATOM 0 H SER A 14 65.878 -8.491 -7.675 1.00 0.00 H new ATOM 0 HA SER A 14 67.664 -10.554 -6.541 1.00 0.00 H new ATOM 0 HB2 SER A 14 68.569 -8.417 -8.518 1.00 0.00 H new ATOM 0 HB3 SER A 14 69.671 -9.128 -7.355 1.00 0.00 H new ATOM 0 HG SER A 14 68.121 -11.013 -8.694 1.00 0.00 H new ATOM 200 N TYR A 15 68.109 -8.914 -4.678 1.00 0.00 N ATOM 201 CA TYR A 15 68.180 -7.958 -3.537 1.00 0.00 C ATOM 202 C TYR A 15 69.645 -7.709 -3.172 1.00 0.00 C ATOM 203 O TYR A 15 70.454 -8.615 -3.160 1.00 0.00 O ATOM 204 CB TYR A 15 67.447 -8.549 -2.331 1.00 0.00 C ATOM 205 CG TYR A 15 66.047 -8.943 -2.736 1.00 0.00 C ATOM 206 CD1 TYR A 15 65.073 -7.957 -2.938 1.00 0.00 C ATOM 207 CD2 TYR A 15 65.723 -10.293 -2.912 1.00 0.00 C ATOM 208 CE1 TYR A 15 63.775 -8.323 -3.314 1.00 0.00 C ATOM 209 CE2 TYR A 15 64.425 -10.659 -3.288 1.00 0.00 C ATOM 210 CZ TYR A 15 63.451 -9.673 -3.489 1.00 0.00 C ATOM 211 OH TYR A 15 62.172 -10.033 -3.860 1.00 0.00 O ATOM 0 H TYR A 15 68.451 -9.854 -4.479 1.00 0.00 H new ATOM 0 HA TYR A 15 67.711 -7.016 -3.821 1.00 0.00 H new ATOM 0 HB2 TYR A 15 67.986 -9.418 -1.954 1.00 0.00 H new ATOM 0 HB3 TYR A 15 67.411 -7.821 -1.521 1.00 0.00 H new ATOM 0 HD1 TYR A 15 65.323 -6.915 -2.804 1.00 0.00 H new ATOM 0 HD2 TYR A 15 66.475 -11.053 -2.758 1.00 0.00 H new ATOM 0 HE1 TYR A 15 63.023 -7.563 -3.469 1.00 0.00 H new ATOM 0 HE2 TYR A 15 64.175 -11.701 -3.423 1.00 0.00 H new ATOM 0 HH TYR A 15 61.537 -9.356 -3.545 1.00 0.00 H new ATOM 221 N THR A 16 69.992 -6.487 -2.874 1.00 0.00 N ATOM 222 CA THR A 16 71.404 -6.182 -2.510 1.00 0.00 C ATOM 223 C THR A 16 71.755 -6.894 -1.196 1.00 0.00 C ATOM 224 O THR A 16 71.089 -6.700 -0.199 1.00 0.00 O ATOM 225 CB THR A 16 71.565 -4.671 -2.326 1.00 0.00 C ATOM 226 OG1 THR A 16 72.909 -4.380 -1.969 1.00 0.00 O ATOM 227 CG2 THR A 16 70.624 -4.187 -1.222 1.00 0.00 C ATOM 0 H THR A 16 69.359 -5.687 -2.867 1.00 0.00 H new ATOM 0 HA THR A 16 72.069 -6.527 -3.302 1.00 0.00 H new ATOM 0 HB THR A 16 71.319 -4.162 -3.258 1.00 0.00 H new ATOM 0 HG1 THR A 16 73.014 -3.413 -1.852 1.00 0.00 H new ATOM 0 HG21 THR A 16 70.739 -3.111 -1.092 1.00 0.00 H new ATOM 0 HG22 THR A 16 69.594 -4.411 -1.498 1.00 0.00 H new ATOM 0 HG23 THR A 16 70.868 -4.694 -0.288 1.00 0.00 H new ATOM 235 N PRO A 17 72.790 -7.698 -1.230 1.00 0.00 N ATOM 236 CA PRO A 17 73.245 -8.448 -0.046 1.00 0.00 C ATOM 237 C PRO A 17 74.036 -7.534 0.893 1.00 0.00 C ATOM 238 O PRO A 17 75.164 -7.816 1.245 1.00 0.00 O ATOM 239 CB PRO A 17 74.146 -9.537 -0.635 1.00 0.00 C ATOM 240 CG PRO A 17 74.609 -9.019 -2.017 1.00 0.00 C ATOM 241 CD PRO A 17 73.601 -7.934 -2.442 1.00 0.00 C ATOM 0 HA PRO A 17 72.425 -8.855 0.546 1.00 0.00 H new ATOM 0 HB2 PRO A 17 75.000 -9.728 0.015 1.00 0.00 H new ATOM 0 HB3 PRO A 17 73.604 -10.478 -0.734 1.00 0.00 H new ATOM 0 HG2 PRO A 17 75.617 -8.609 -1.959 1.00 0.00 H new ATOM 0 HG3 PRO A 17 74.636 -9.830 -2.745 1.00 0.00 H new ATOM 0 HD2 PRO A 17 74.108 -7.025 -2.766 1.00 0.00 H new ATOM 0 HD3 PRO A 17 72.983 -8.269 -3.275 1.00 0.00 H new ATOM 249 N ARG A 18 73.451 -6.442 1.301 1.00 0.00 N ATOM 250 CA ARG A 18 74.168 -5.510 2.216 1.00 0.00 C ATOM 251 C ARG A 18 73.154 -4.604 2.917 1.00 0.00 C ATOM 252 O ARG A 18 72.299 -4.011 2.289 1.00 0.00 O ATOM 253 CB ARG A 18 75.145 -4.653 1.409 1.00 0.00 C ATOM 254 CG ARG A 18 76.290 -5.530 0.896 1.00 0.00 C ATOM 255 CD ARG A 18 77.481 -4.646 0.520 1.00 0.00 C ATOM 256 NE ARG A 18 78.733 -5.239 1.071 1.00 0.00 N ATOM 257 CZ ARG A 18 78.943 -5.244 2.359 1.00 0.00 C ATOM 258 NH1 ARG A 18 78.158 -4.568 3.154 1.00 0.00 N ATOM 259 NH2 ARG A 18 79.940 -5.925 2.854 1.00 0.00 N ATOM 0 H ARG A 18 72.508 -6.155 1.040 1.00 0.00 H new ATOM 0 HA ARG A 18 74.719 -6.084 2.961 1.00 0.00 H new ATOM 0 HB2 ARG A 18 74.628 -4.185 0.571 1.00 0.00 H new ATOM 0 HB3 ARG A 18 75.539 -3.849 2.030 1.00 0.00 H new ATOM 0 HG2 ARG A 18 76.584 -6.248 1.662 1.00 0.00 H new ATOM 0 HG3 ARG A 18 75.962 -6.105 0.030 1.00 0.00 H new ATOM 0 HD2 ARG A 18 77.554 -4.558 -0.564 1.00 0.00 H new ATOM 0 HD3 ARG A 18 77.339 -3.639 0.913 1.00 0.00 H new ATOM 0 HE ARG A 18 79.426 -5.641 0.440 1.00 0.00 H new ATOM 0 HH11 ARG A 18 77.379 -4.035 2.769 1.00 0.00 H new ATOM 0 HH12 ARG A 18 78.324 -4.573 4.160 1.00 0.00 H new ATOM 0 HH21 ARG A 18 80.555 -6.453 2.234 1.00 0.00 H new ATOM 0 HH22 ARG A 18 80.105 -5.929 3.861 1.00 0.00 H new ATOM 273 N SER A 19 73.240 -4.492 4.214 1.00 0.00 N ATOM 274 CA SER A 19 72.280 -3.625 4.953 1.00 0.00 C ATOM 275 C SER A 19 72.793 -2.183 4.956 1.00 0.00 C ATOM 276 O SER A 19 73.642 -1.818 5.745 1.00 0.00 O ATOM 277 CB SER A 19 72.148 -4.122 6.393 1.00 0.00 C ATOM 278 OG SER A 19 71.700 -5.471 6.384 1.00 0.00 O ATOM 0 H SER A 19 73.934 -4.964 4.794 1.00 0.00 H new ATOM 0 HA SER A 19 71.306 -3.663 4.465 1.00 0.00 H new ATOM 0 HB2 SER A 19 73.108 -4.049 6.905 1.00 0.00 H new ATOM 0 HB3 SER A 19 71.445 -3.497 6.943 1.00 0.00 H new ATOM 0 HG SER A 19 71.616 -5.794 7.305 1.00 0.00 H new ATOM 284 N ILE A 20 72.284 -1.361 4.080 1.00 0.00 N ATOM 285 CA ILE A 20 72.743 0.056 4.033 1.00 0.00 C ATOM 286 C ILE A 20 71.852 0.908 4.944 1.00 0.00 C ATOM 287 O ILE A 20 70.658 0.694 5.012 1.00 0.00 O ATOM 288 CB ILE A 20 72.648 0.571 2.595 1.00 0.00 C ATOM 289 CG1 ILE A 20 73.620 -0.212 1.709 1.00 0.00 C ATOM 290 CG2 ILE A 20 73.010 2.057 2.557 1.00 0.00 C ATOM 291 CD1 ILE A 20 72.900 -0.667 0.439 1.00 0.00 C ATOM 0 H ILE A 20 71.570 -1.609 3.395 1.00 0.00 H new ATOM 0 HA ILE A 20 73.776 0.120 4.374 1.00 0.00 H new ATOM 0 HB ILE A 20 71.630 0.437 2.229 1.00 0.00 H new ATOM 0 HG12 ILE A 20 74.476 0.411 1.451 1.00 0.00 H new ATOM 0 HG13 ILE A 20 74.006 -1.076 2.250 1.00 0.00 H new ATOM 0 HG21 ILE A 20 72.942 2.422 1.532 1.00 0.00 H new ATOM 0 HG22 ILE A 20 72.319 2.616 3.188 1.00 0.00 H new ATOM 0 HG23 ILE A 20 74.027 2.193 2.924 1.00 0.00 H new ATOM 0 HD11 ILE A 20 73.592 -1.225 -0.192 1.00 0.00 H new ATOM 0 HD12 ILE A 20 72.058 -1.306 0.707 1.00 0.00 H new ATOM 0 HD13 ILE A 20 72.535 0.205 -0.105 1.00 0.00 H new ATOM 303 N PRO A 21 72.461 1.852 5.618 1.00 0.00 N ATOM 304 CA PRO A 21 71.745 2.755 6.537 1.00 0.00 C ATOM 305 C PRO A 21 71.007 3.841 5.749 1.00 0.00 C ATOM 306 O PRO A 21 71.462 4.290 4.716 1.00 0.00 O ATOM 307 CB PRO A 21 72.864 3.360 7.389 1.00 0.00 C ATOM 308 CG PRO A 21 74.165 3.220 6.564 1.00 0.00 C ATOM 309 CD PRO A 21 73.914 2.107 5.530 1.00 0.00 C ATOM 0 HA PRO A 21 70.988 2.249 7.136 1.00 0.00 H new ATOM 0 HB2 PRO A 21 72.658 4.406 7.615 1.00 0.00 H new ATOM 0 HB3 PRO A 21 72.951 2.839 8.343 1.00 0.00 H new ATOM 0 HG2 PRO A 21 74.413 4.159 6.069 1.00 0.00 H new ATOM 0 HG3 PRO A 21 75.007 2.967 7.208 1.00 0.00 H new ATOM 0 HD2 PRO A 21 74.203 2.422 4.527 1.00 0.00 H new ATOM 0 HD3 PRO A 21 74.490 1.211 5.761 1.00 0.00 H new ATOM 317 N CYS A 22 69.871 4.265 6.229 1.00 0.00 N ATOM 318 CA CYS A 22 69.104 5.319 5.508 1.00 0.00 C ATOM 319 C CYS A 22 70.001 6.537 5.276 1.00 0.00 C ATOM 320 O CYS A 22 69.773 7.326 4.380 1.00 0.00 O ATOM 321 CB CYS A 22 67.893 5.730 6.348 1.00 0.00 C ATOM 322 SG CYS A 22 66.430 4.827 5.781 1.00 0.00 S ATOM 0 H CYS A 22 69.440 3.927 7.090 1.00 0.00 H new ATOM 0 HA CYS A 22 68.767 4.930 4.547 1.00 0.00 H new ATOM 0 HB2 CYS A 22 68.079 5.518 7.401 1.00 0.00 H new ATOM 0 HB3 CYS A 22 67.726 6.804 6.264 1.00 0.00 H new ATOM 327 N SER A 23 71.020 6.698 6.075 1.00 0.00 N ATOM 328 CA SER A 23 71.930 7.865 5.898 1.00 0.00 C ATOM 329 C SER A 23 72.398 7.932 4.443 1.00 0.00 C ATOM 330 O SER A 23 72.805 8.970 3.959 1.00 0.00 O ATOM 331 CB SER A 23 73.143 7.710 6.816 1.00 0.00 C ATOM 332 OG SER A 23 72.786 8.101 8.135 1.00 0.00 O ATOM 0 H SER A 23 71.262 6.072 6.843 1.00 0.00 H new ATOM 0 HA SER A 23 71.397 8.782 6.151 1.00 0.00 H new ATOM 0 HB2 SER A 23 73.487 6.676 6.811 1.00 0.00 H new ATOM 0 HB3 SER A 23 73.969 8.322 6.454 1.00 0.00 H new ATOM 0 HG SER A 23 73.561 8.001 8.727 1.00 0.00 H new ATOM 338 N LEU A 24 72.344 6.833 3.741 1.00 0.00 N ATOM 339 CA LEU A 24 72.787 6.834 2.319 1.00 0.00 C ATOM 340 C LEU A 24 71.571 6.666 1.406 1.00 0.00 C ATOM 341 O LEU A 24 71.697 6.353 0.238 1.00 0.00 O ATOM 342 CB LEU A 24 73.761 5.676 2.089 1.00 0.00 C ATOM 343 CG LEU A 24 74.909 6.143 1.193 1.00 0.00 C ATOM 344 CD1 LEU A 24 76.158 6.378 2.044 1.00 0.00 C ATOM 345 CD2 LEU A 24 75.203 5.070 0.143 1.00 0.00 C ATOM 0 H LEU A 24 72.012 5.934 4.091 1.00 0.00 H new ATOM 0 HA LEU A 24 73.283 7.778 2.093 1.00 0.00 H new ATOM 0 HB2 LEU A 24 74.152 5.321 3.043 1.00 0.00 H new ATOM 0 HB3 LEU A 24 73.242 4.837 1.625 1.00 0.00 H new ATOM 0 HG LEU A 24 74.628 7.072 0.697 1.00 0.00 H new ATOM 0 HD11 LEU A 24 76.976 6.711 1.405 1.00 0.00 H new ATOM 0 HD12 LEU A 24 75.949 7.141 2.794 1.00 0.00 H new ATOM 0 HD13 LEU A 24 76.440 5.450 2.540 1.00 0.00 H new ATOM 0 HD21 LEU A 24 76.021 5.401 -0.497 1.00 0.00 H new ATOM 0 HD22 LEU A 24 75.484 4.142 0.640 1.00 0.00 H new ATOM 0 HD23 LEU A 24 74.313 4.901 -0.464 1.00 0.00 H new ATOM 357 N LEU A 25 70.392 6.869 1.928 1.00 0.00 N ATOM 358 CA LEU A 25 69.170 6.718 1.091 1.00 0.00 C ATOM 359 C LEU A 25 68.343 8.004 1.156 1.00 0.00 C ATOM 360 O LEU A 25 68.263 8.651 2.182 1.00 0.00 O ATOM 361 CB LEU A 25 68.336 5.551 1.620 1.00 0.00 C ATOM 362 CG LEU A 25 69.218 4.309 1.756 1.00 0.00 C ATOM 363 CD1 LEU A 25 68.416 3.183 2.411 1.00 0.00 C ATOM 364 CD2 LEU A 25 69.686 3.859 0.369 1.00 0.00 C ATOM 0 H LEU A 25 70.223 7.133 2.899 1.00 0.00 H new ATOM 0 HA LEU A 25 69.458 6.524 0.058 1.00 0.00 H new ATOM 0 HB2 LEU A 25 67.903 5.809 2.586 1.00 0.00 H new ATOM 0 HB3 LEU A 25 67.506 5.348 0.943 1.00 0.00 H new ATOM 0 HG LEU A 25 70.085 4.546 2.373 1.00 0.00 H new ATOM 0 HD11 LEU A 25 69.044 2.298 2.508 1.00 0.00 H new ATOM 0 HD12 LEU A 25 68.082 3.501 3.399 1.00 0.00 H new ATOM 0 HD13 LEU A 25 67.549 2.947 1.794 1.00 0.00 H new ATOM 0 HD21 LEU A 25 70.315 2.974 0.467 1.00 0.00 H new ATOM 0 HD22 LEU A 25 68.819 3.622 -0.248 1.00 0.00 H new ATOM 0 HD23 LEU A 25 70.258 4.660 -0.100 1.00 0.00 H new ATOM 376 N GLU A 26 67.723 8.378 0.070 1.00 0.00 N ATOM 377 CA GLU A 26 66.898 9.619 0.071 1.00 0.00 C ATOM 378 C GLU A 26 65.420 9.244 0.203 1.00 0.00 C ATOM 379 O GLU A 26 64.664 9.893 0.898 1.00 0.00 O ATOM 380 CB GLU A 26 67.117 10.379 -1.239 1.00 0.00 C ATOM 381 CG GLU A 26 66.954 11.880 -0.992 1.00 0.00 C ATOM 382 CD GLU A 26 65.531 12.306 -1.358 1.00 0.00 C ATOM 383 OE1 GLU A 26 64.623 11.969 -0.615 1.00 0.00 O ATOM 384 OE2 GLU A 26 65.373 12.962 -2.374 1.00 0.00 O ATOM 0 H GLU A 26 67.752 7.877 -0.818 1.00 0.00 H new ATOM 0 HA GLU A 26 67.191 10.251 0.909 1.00 0.00 H new ATOM 0 HB2 GLU A 26 68.112 10.170 -1.631 1.00 0.00 H new ATOM 0 HB3 GLU A 26 66.402 10.044 -1.990 1.00 0.00 H new ATOM 0 HG2 GLU A 26 67.157 12.111 0.054 1.00 0.00 H new ATOM 0 HG3 GLU A 26 67.677 12.438 -1.588 1.00 0.00 H new ATOM 391 N SER A 27 65.006 8.197 -0.457 1.00 0.00 N ATOM 392 CA SER A 27 63.579 7.775 -0.370 1.00 0.00 C ATOM 393 C SER A 27 63.488 6.262 -0.580 1.00 0.00 C ATOM 394 O SER A 27 64.488 5.581 -0.689 1.00 0.00 O ATOM 395 CB SER A 27 62.768 8.490 -1.451 1.00 0.00 C ATOM 396 OG SER A 27 63.639 9.288 -2.242 1.00 0.00 O ATOM 0 H SER A 27 65.595 7.615 -1.053 1.00 0.00 H new ATOM 0 HA SER A 27 63.180 8.034 0.611 1.00 0.00 H new ATOM 0 HB2 SER A 27 62.254 7.761 -2.078 1.00 0.00 H new ATOM 0 HB3 SER A 27 62.000 9.114 -0.993 1.00 0.00 H new ATOM 0 HG SER A 27 63.122 9.747 -2.937 1.00 0.00 H new ATOM 402 N TYR A 28 62.298 5.729 -0.639 1.00 0.00 N ATOM 403 CA TYR A 28 62.155 4.260 -0.842 1.00 0.00 C ATOM 404 C TYR A 28 60.740 3.941 -1.332 1.00 0.00 C ATOM 405 O TYR A 28 59.842 4.754 -1.241 1.00 0.00 O ATOM 406 CB TYR A 28 62.420 3.533 0.482 1.00 0.00 C ATOM 407 CG TYR A 28 61.230 3.690 1.400 1.00 0.00 C ATOM 408 CD1 TYR A 28 60.791 4.967 1.767 1.00 0.00 C ATOM 409 CD2 TYR A 28 60.565 2.556 1.882 1.00 0.00 C ATOM 410 CE1 TYR A 28 59.687 5.111 2.616 1.00 0.00 C ATOM 411 CE2 TYR A 28 59.461 2.699 2.731 1.00 0.00 C ATOM 412 CZ TYR A 28 59.022 3.977 3.098 1.00 0.00 C ATOM 413 OH TYR A 28 57.933 4.118 3.934 1.00 0.00 O ATOM 0 H TYR A 28 61.422 6.245 -0.556 1.00 0.00 H new ATOM 0 HA TYR A 28 62.875 3.926 -1.589 1.00 0.00 H new ATOM 0 HB2 TYR A 28 62.610 2.476 0.295 1.00 0.00 H new ATOM 0 HB3 TYR A 28 63.313 3.938 0.957 1.00 0.00 H new ATOM 0 HD1 TYR A 28 61.304 5.842 1.395 1.00 0.00 H new ATOM 0 HD2 TYR A 28 60.904 1.570 1.599 1.00 0.00 H new ATOM 0 HE1 TYR A 28 59.348 6.097 2.899 1.00 0.00 H new ATOM 0 HE2 TYR A 28 58.948 1.824 3.103 1.00 0.00 H new ATOM 0 HH TYR A 28 57.609 3.233 4.201 1.00 0.00 H new ATOM 423 N PHE A 29 60.537 2.760 -1.848 1.00 0.00 N ATOM 424 CA PHE A 29 59.182 2.381 -2.341 1.00 0.00 C ATOM 425 C PHE A 29 59.160 0.885 -2.658 1.00 0.00 C ATOM 426 O PHE A 29 60.189 0.249 -2.768 1.00 0.00 O ATOM 427 CB PHE A 29 58.847 3.177 -3.607 1.00 0.00 C ATOM 428 CG PHE A 29 60.116 3.495 -4.363 1.00 0.00 C ATOM 429 CD1 PHE A 29 60.715 2.519 -5.167 1.00 0.00 C ATOM 430 CD2 PHE A 29 60.692 4.767 -4.259 1.00 0.00 C ATOM 431 CE1 PHE A 29 61.890 2.815 -5.868 1.00 0.00 C ATOM 432 CE2 PHE A 29 61.867 5.063 -4.960 1.00 0.00 C ATOM 433 CZ PHE A 29 62.466 4.087 -5.765 1.00 0.00 C ATOM 0 H PHE A 29 61.252 2.040 -1.950 1.00 0.00 H new ATOM 0 HA PHE A 29 58.442 2.605 -1.572 1.00 0.00 H new ATOM 0 HB2 PHE A 29 58.170 2.603 -4.240 1.00 0.00 H new ATOM 0 HB3 PHE A 29 58.330 4.099 -3.342 1.00 0.00 H new ATOM 0 HD1 PHE A 29 60.271 1.538 -5.247 1.00 0.00 H new ATOM 0 HD2 PHE A 29 60.230 5.520 -3.638 1.00 0.00 H new ATOM 0 HE1 PHE A 29 62.352 2.062 -6.489 1.00 0.00 H new ATOM 0 HE2 PHE A 29 62.311 6.044 -4.880 1.00 0.00 H new ATOM 0 HZ PHE A 29 63.372 4.315 -6.306 1.00 0.00 H new ATOM 443 N GLU A 30 57.995 0.317 -2.803 1.00 0.00 N ATOM 444 CA GLU A 30 57.910 -1.139 -3.110 1.00 0.00 C ATOM 445 C GLU A 30 57.623 -1.333 -4.600 1.00 0.00 C ATOM 446 O GLU A 30 56.998 -0.507 -5.234 1.00 0.00 O ATOM 447 CB GLU A 30 56.785 -1.769 -2.287 1.00 0.00 C ATOM 448 CG GLU A 30 57.098 -1.624 -0.797 1.00 0.00 C ATOM 449 CD GLU A 30 56.419 -2.753 -0.020 1.00 0.00 C ATOM 450 OE1 GLU A 30 56.869 -3.881 -0.138 1.00 0.00 O ATOM 451 OE2 GLU A 30 55.460 -2.471 0.679 1.00 0.00 O ATOM 0 H GLU A 30 57.099 0.797 -2.722 1.00 0.00 H new ATOM 0 HA GLU A 30 58.856 -1.618 -2.859 1.00 0.00 H new ATOM 0 HB2 GLU A 30 55.836 -1.285 -2.519 1.00 0.00 H new ATOM 0 HB3 GLU A 30 56.677 -2.822 -2.546 1.00 0.00 H new ATOM 0 HG2 GLU A 30 58.176 -1.655 -0.636 1.00 0.00 H new ATOM 0 HG3 GLU A 30 56.749 -0.657 -0.434 1.00 0.00 H new ATOM 458 N THR A 31 58.074 -2.420 -5.163 1.00 0.00 N ATOM 459 CA THR A 31 57.826 -2.667 -6.611 1.00 0.00 C ATOM 460 C THR A 31 56.319 -2.751 -6.862 1.00 0.00 C ATOM 461 O THR A 31 55.519 -2.512 -5.979 1.00 0.00 O ATOM 462 CB THR A 31 58.485 -3.985 -7.025 1.00 0.00 C ATOM 463 OG1 THR A 31 57.803 -5.068 -6.408 1.00 0.00 O ATOM 464 CG2 THR A 31 59.951 -3.986 -6.587 1.00 0.00 C ATOM 0 H THR A 31 58.603 -3.148 -4.683 1.00 0.00 H new ATOM 0 HA THR A 31 58.248 -1.850 -7.196 1.00 0.00 H new ATOM 0 HB THR A 31 58.433 -4.092 -8.108 1.00 0.00 H new ATOM 0 HG1 THR A 31 57.722 -5.809 -7.045 1.00 0.00 H new ATOM 0 HG21 THR A 31 60.418 -4.925 -6.883 1.00 0.00 H new ATOM 0 HG22 THR A 31 60.473 -3.155 -7.062 1.00 0.00 H new ATOM 0 HG23 THR A 31 60.007 -3.878 -5.504 1.00 0.00 H new ATOM 472 N ASN A 32 55.925 -3.088 -8.059 1.00 0.00 N ATOM 473 CA ASN A 32 54.470 -3.186 -8.363 1.00 0.00 C ATOM 474 C ASN A 32 53.870 -4.375 -7.610 1.00 0.00 C ATOM 475 O ASN A 32 54.509 -5.392 -7.427 1.00 0.00 O ATOM 476 CB ASN A 32 54.276 -3.385 -9.868 1.00 0.00 C ATOM 477 CG ASN A 32 54.262 -2.024 -10.566 1.00 0.00 C ATOM 478 OD1 ASN A 32 53.340 -1.251 -10.395 1.00 0.00 O ATOM 479 ND2 ASN A 32 55.251 -1.695 -11.350 1.00 0.00 N ATOM 0 H ASN A 32 56.547 -3.300 -8.839 1.00 0.00 H new ATOM 0 HA ASN A 32 53.971 -2.269 -8.050 1.00 0.00 H new ATOM 0 HB2 ASN A 32 55.079 -4.003 -10.270 1.00 0.00 H new ATOM 0 HB3 ASN A 32 53.341 -3.913 -10.058 1.00 0.00 H new ATOM 0 HD21 ASN A 32 55.250 -0.789 -11.819 1.00 0.00 H new ATOM 0 HD22 ASN A 32 56.025 -2.343 -11.494 1.00 0.00 H new ATOM 486 N SER A 33 52.647 -4.256 -7.171 1.00 0.00 N ATOM 487 CA SER A 33 52.008 -5.380 -6.431 1.00 0.00 C ATOM 488 C SER A 33 51.720 -6.530 -7.398 1.00 0.00 C ATOM 489 O SER A 33 51.352 -7.615 -6.994 1.00 0.00 O ATOM 490 CB SER A 33 50.697 -4.898 -5.807 1.00 0.00 C ATOM 491 OG SER A 33 50.848 -3.551 -5.378 1.00 0.00 O ATOM 0 H SER A 33 52.063 -3.429 -7.293 1.00 0.00 H new ATOM 0 HA SER A 33 52.680 -5.726 -5.645 1.00 0.00 H new ATOM 0 HB2 SER A 33 49.887 -4.972 -6.532 1.00 0.00 H new ATOM 0 HB3 SER A 33 50.428 -5.533 -4.963 1.00 0.00 H new ATOM 0 HG SER A 33 50.009 -3.239 -4.979 1.00 0.00 H new ATOM 497 N GLU A 34 51.884 -6.302 -8.673 1.00 0.00 N ATOM 498 CA GLU A 34 51.619 -7.383 -9.663 1.00 0.00 C ATOM 499 C GLU A 34 52.890 -8.211 -9.871 1.00 0.00 C ATOM 500 O GLU A 34 52.877 -9.226 -10.538 1.00 0.00 O ATOM 501 CB GLU A 34 51.192 -6.760 -10.994 1.00 0.00 C ATOM 502 CG GLU A 34 49.705 -6.405 -10.938 1.00 0.00 C ATOM 503 CD GLU A 34 49.057 -6.697 -12.292 1.00 0.00 C ATOM 504 OE1 GLU A 34 49.346 -7.742 -12.852 1.00 0.00 O ATOM 505 OE2 GLU A 34 48.283 -5.872 -12.747 1.00 0.00 O ATOM 0 H GLU A 34 52.190 -5.414 -9.071 1.00 0.00 H new ATOM 0 HA GLU A 34 50.824 -8.029 -9.291 1.00 0.00 H new ATOM 0 HB2 GLU A 34 51.783 -5.866 -11.195 1.00 0.00 H new ATOM 0 HB3 GLU A 34 51.380 -7.457 -11.811 1.00 0.00 H new ATOM 0 HG2 GLU A 34 49.212 -6.982 -10.156 1.00 0.00 H new ATOM 0 HG3 GLU A 34 49.581 -5.352 -10.684 1.00 0.00 H new ATOM 512 N CYS A 35 53.987 -7.786 -9.305 1.00 0.00 N ATOM 513 CA CYS A 35 55.254 -8.552 -9.472 1.00 0.00 C ATOM 514 C CYS A 35 55.249 -9.758 -8.530 1.00 0.00 C ATOM 515 O CYS A 35 55.117 -9.620 -7.330 1.00 0.00 O ATOM 516 CB CYS A 35 56.444 -7.650 -9.136 1.00 0.00 C ATOM 517 SG CYS A 35 56.657 -6.419 -10.446 1.00 0.00 S ATOM 0 H CYS A 35 54.060 -6.943 -8.735 1.00 0.00 H new ATOM 0 HA CYS A 35 55.337 -8.895 -10.503 1.00 0.00 H new ATOM 0 HB2 CYS A 35 56.279 -7.154 -8.179 1.00 0.00 H new ATOM 0 HB3 CYS A 35 57.350 -8.248 -9.033 1.00 0.00 H new ATOM 522 N SER A 36 55.390 -10.941 -9.064 1.00 0.00 N ATOM 523 CA SER A 36 55.393 -12.152 -8.197 1.00 0.00 C ATOM 524 C SER A 36 56.485 -12.015 -7.135 1.00 0.00 C ATOM 525 O SER A 36 56.423 -12.623 -6.085 1.00 0.00 O ATOM 526 CB SER A 36 55.665 -13.390 -9.052 1.00 0.00 C ATOM 527 OG SER A 36 56.201 -14.419 -8.230 1.00 0.00 O ATOM 0 H SER A 36 55.503 -11.120 -10.062 1.00 0.00 H new ATOM 0 HA SER A 36 54.423 -12.253 -7.710 1.00 0.00 H new ATOM 0 HB2 SER A 36 54.743 -13.729 -9.525 1.00 0.00 H new ATOM 0 HB3 SER A 36 56.364 -13.147 -9.853 1.00 0.00 H new ATOM 0 HG SER A 36 56.375 -15.215 -8.774 1.00 0.00 H new ATOM 533 N LYS A 37 57.485 -11.220 -7.399 1.00 0.00 N ATOM 534 CA LYS A 37 58.580 -11.043 -6.405 1.00 0.00 C ATOM 535 C LYS A 37 58.670 -9.568 -6.003 1.00 0.00 C ATOM 536 O LYS A 37 59.417 -8.812 -6.591 1.00 0.00 O ATOM 537 CB LYS A 37 59.908 -11.486 -7.023 1.00 0.00 C ATOM 538 CG LYS A 37 59.879 -12.995 -7.270 1.00 0.00 C ATOM 539 CD LYS A 37 59.541 -13.720 -5.966 1.00 0.00 C ATOM 540 CE LYS A 37 60.484 -13.245 -4.859 1.00 0.00 C ATOM 541 NZ LYS A 37 60.857 -14.401 -3.995 1.00 0.00 N ATOM 0 H LYS A 37 57.591 -10.685 -8.261 1.00 0.00 H new ATOM 0 HA LYS A 37 58.371 -11.648 -5.523 1.00 0.00 H new ATOM 0 HB2 LYS A 37 60.079 -10.957 -7.960 1.00 0.00 H new ATOM 0 HB3 LYS A 37 60.733 -11.232 -6.358 1.00 0.00 H new ATOM 0 HG2 LYS A 37 59.139 -13.235 -8.034 1.00 0.00 H new ATOM 0 HG3 LYS A 37 60.846 -13.331 -7.645 1.00 0.00 H new ATOM 0 HD2 LYS A 37 58.506 -13.523 -5.686 1.00 0.00 H new ATOM 0 HD3 LYS A 37 59.635 -14.797 -6.101 1.00 0.00 H new ATOM 0 HE2 LYS A 37 61.378 -12.799 -5.295 1.00 0.00 H new ATOM 0 HE3 LYS A 37 60.001 -12.472 -4.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 61.498 -14.079 -3.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 59.999 -14.807 -3.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 61.334 -15.124 -4.570 1.00 0.00 H new ATOM 555 N PRO A 38 57.901 -9.205 -5.008 1.00 0.00 N ATOM 556 CA PRO A 38 57.864 -7.825 -4.495 1.00 0.00 C ATOM 557 C PRO A 38 59.083 -7.550 -3.611 1.00 0.00 C ATOM 558 O PRO A 38 59.809 -8.451 -3.238 1.00 0.00 O ATOM 559 CB PRO A 38 56.572 -7.782 -3.675 1.00 0.00 C ATOM 560 CG PRO A 38 56.245 -9.247 -3.297 1.00 0.00 C ATOM 561 CD PRO A 38 56.998 -10.138 -4.302 1.00 0.00 C ATOM 0 HA PRO A 38 57.887 -7.073 -5.284 1.00 0.00 H new ATOM 0 HB2 PRO A 38 56.699 -7.170 -2.782 1.00 0.00 H new ATOM 0 HB3 PRO A 38 55.760 -7.339 -4.252 1.00 0.00 H new ATOM 0 HG2 PRO A 38 56.559 -9.463 -2.276 1.00 0.00 H new ATOM 0 HG3 PRO A 38 55.171 -9.430 -3.346 1.00 0.00 H new ATOM 0 HD2 PRO A 38 57.556 -10.926 -3.796 1.00 0.00 H new ATOM 0 HD3 PRO A 38 56.311 -10.627 -4.993 1.00 0.00 H new ATOM 569 N GLY A 39 59.314 -6.311 -3.272 1.00 0.00 N ATOM 570 CA GLY A 39 60.476 -5.976 -2.419 1.00 0.00 C ATOM 571 C GLY A 39 60.535 -4.464 -2.199 1.00 0.00 C ATOM 572 O GLY A 39 59.759 -3.714 -2.758 1.00 0.00 O ATOM 0 H GLY A 39 58.741 -5.516 -3.554 1.00 0.00 H new ATOM 0 HA2 GLY A 39 60.396 -6.490 -1.461 1.00 0.00 H new ATOM 0 HA3 GLY A 39 61.397 -6.321 -2.890 1.00 0.00 H new ATOM 576 N VAL A 40 61.451 -4.009 -1.387 1.00 0.00 N ATOM 577 CA VAL A 40 61.560 -2.546 -1.130 1.00 0.00 C ATOM 578 C VAL A 40 62.771 -1.984 -1.880 1.00 0.00 C ATOM 579 O VAL A 40 63.868 -2.495 -1.777 1.00 0.00 O ATOM 580 CB VAL A 40 61.734 -2.304 0.370 1.00 0.00 C ATOM 581 CG1 VAL A 40 61.223 -0.907 0.726 1.00 0.00 C ATOM 582 CG2 VAL A 40 60.935 -3.351 1.150 1.00 0.00 C ATOM 0 H VAL A 40 62.128 -4.588 -0.891 1.00 0.00 H new ATOM 0 HA VAL A 40 60.654 -2.048 -1.477 1.00 0.00 H new ATOM 0 HB VAL A 40 62.790 -2.381 0.630 1.00 0.00 H new ATOM 0 HG11 VAL A 40 61.347 -0.736 1.795 1.00 0.00 H new ATOM 0 HG12 VAL A 40 61.790 -0.160 0.170 1.00 0.00 H new ATOM 0 HG13 VAL A 40 60.167 -0.829 0.466 1.00 0.00 H new ATOM 0 HG21 VAL A 40 61.058 -3.180 2.219 1.00 0.00 H new ATOM 0 HG22 VAL A 40 59.880 -3.272 0.889 1.00 0.00 H new ATOM 0 HG23 VAL A 40 61.298 -4.348 0.898 1.00 0.00 H new ATOM 592 N ILE A 41 62.579 -0.936 -2.633 1.00 0.00 N ATOM 593 CA ILE A 41 63.719 -0.342 -3.387 1.00 0.00 C ATOM 594 C ILE A 41 64.037 1.043 -2.821 1.00 0.00 C ATOM 595 O ILE A 41 63.197 1.921 -2.792 1.00 0.00 O ATOM 596 CB ILE A 41 63.341 -0.213 -4.864 1.00 0.00 C ATOM 597 CG1 ILE A 41 62.758 -1.539 -5.356 1.00 0.00 C ATOM 598 CG2 ILE A 41 64.587 0.130 -5.683 1.00 0.00 C ATOM 599 CD1 ILE A 41 61.547 -1.263 -6.250 1.00 0.00 C ATOM 0 H ILE A 41 61.683 -0.466 -2.759 1.00 0.00 H new ATOM 0 HA ILE A 41 64.594 -0.985 -3.290 1.00 0.00 H new ATOM 0 HB ILE A 41 62.601 0.578 -4.982 1.00 0.00 H new ATOM 0 HG12 ILE A 41 63.513 -2.097 -5.910 1.00 0.00 H new ATOM 0 HG13 ILE A 41 62.464 -2.156 -4.507 1.00 0.00 H new ATOM 0 HG21 ILE A 41 64.317 0.222 -6.735 1.00 0.00 H new ATOM 0 HG22 ILE A 41 65.005 1.074 -5.332 1.00 0.00 H new ATOM 0 HG23 ILE A 41 65.328 -0.661 -5.566 1.00 0.00 H new ATOM 0 HD11 ILE A 41 61.131 -2.207 -6.601 1.00 0.00 H new ATOM 0 HD12 ILE A 41 60.790 -0.722 -5.681 1.00 0.00 H new ATOM 0 HD13 ILE A 41 61.856 -0.662 -7.106 1.00 0.00 H new ATOM 611 N PHE A 42 65.244 1.246 -2.369 1.00 0.00 N ATOM 612 CA PHE A 42 65.615 2.574 -1.805 1.00 0.00 C ATOM 613 C PHE A 42 66.415 3.363 -2.843 1.00 0.00 C ATOM 614 O PHE A 42 67.276 2.829 -3.515 1.00 0.00 O ATOM 615 CB PHE A 42 66.464 2.375 -0.548 1.00 0.00 C ATOM 616 CG PHE A 42 65.625 1.735 0.531 1.00 0.00 C ATOM 617 CD1 PHE A 42 65.268 0.385 0.432 1.00 0.00 C ATOM 618 CD2 PHE A 42 65.204 2.491 1.632 1.00 0.00 C ATOM 619 CE1 PHE A 42 64.490 -0.209 1.433 1.00 0.00 C ATOM 620 CE2 PHE A 42 64.426 1.897 2.633 1.00 0.00 C ATOM 621 CZ PHE A 42 64.069 0.547 2.533 1.00 0.00 C ATOM 0 H PHE A 42 65.989 0.550 -2.366 1.00 0.00 H new ATOM 0 HA PHE A 42 64.711 3.126 -1.548 1.00 0.00 H new ATOM 0 HB2 PHE A 42 67.326 1.747 -0.774 1.00 0.00 H new ATOM 0 HB3 PHE A 42 66.851 3.334 -0.202 1.00 0.00 H new ATOM 0 HD1 PHE A 42 65.593 -0.198 -0.417 1.00 0.00 H new ATOM 0 HD2 PHE A 42 65.480 3.532 1.709 1.00 0.00 H new ATOM 0 HE1 PHE A 42 64.215 -1.251 1.356 1.00 0.00 H new ATOM 0 HE2 PHE A 42 64.101 2.480 3.482 1.00 0.00 H new ATOM 0 HZ PHE A 42 63.469 0.089 3.305 1.00 0.00 H new ATOM 631 N LEU A 43 66.136 4.630 -2.979 1.00 0.00 N ATOM 632 CA LEU A 43 66.879 5.454 -3.974 1.00 0.00 C ATOM 633 C LEU A 43 67.936 6.293 -3.254 1.00 0.00 C ATOM 634 O LEU A 43 67.637 7.032 -2.336 1.00 0.00 O ATOM 635 CB LEU A 43 65.901 6.381 -4.698 1.00 0.00 C ATOM 636 CG LEU A 43 66.572 6.958 -5.945 1.00 0.00 C ATOM 637 CD1 LEU A 43 65.549 7.053 -7.078 1.00 0.00 C ATOM 638 CD2 LEU A 43 67.114 8.354 -5.631 1.00 0.00 C ATOM 0 H LEU A 43 65.426 5.130 -2.444 1.00 0.00 H new ATOM 0 HA LEU A 43 67.365 4.800 -4.698 1.00 0.00 H new ATOM 0 HB2 LEU A 43 65.002 5.832 -4.977 1.00 0.00 H new ATOM 0 HB3 LEU A 43 65.589 7.187 -4.034 1.00 0.00 H new ATOM 0 HG LEU A 43 67.392 6.308 -6.250 1.00 0.00 H new ATOM 0 HD11 LEU A 43 66.028 7.464 -7.967 1.00 0.00 H new ATOM 0 HD12 LEU A 43 65.161 6.059 -7.302 1.00 0.00 H new ATOM 0 HD13 LEU A 43 64.729 7.703 -6.774 1.00 0.00 H new ATOM 0 HD21 LEU A 43 67.593 8.767 -6.519 1.00 0.00 H new ATOM 0 HD22 LEU A 43 66.293 9.003 -5.327 1.00 0.00 H new ATOM 0 HD23 LEU A 43 67.843 8.288 -4.823 1.00 0.00 H new ATOM 650 N THR A 44 69.170 6.188 -3.663 1.00 0.00 N ATOM 651 CA THR A 44 70.243 6.981 -3.003 1.00 0.00 C ATOM 652 C THR A 44 70.277 8.387 -3.604 1.00 0.00 C ATOM 653 O THR A 44 69.593 8.678 -4.566 1.00 0.00 O ATOM 654 CB THR A 44 71.595 6.297 -3.226 1.00 0.00 C ATOM 655 OG1 THR A 44 72.019 6.516 -4.565 1.00 0.00 O ATOM 656 CG2 THR A 44 71.456 4.795 -2.972 1.00 0.00 C ATOM 0 H THR A 44 69.481 5.587 -4.426 1.00 0.00 H new ATOM 0 HA THR A 44 70.042 7.046 -1.934 1.00 0.00 H new ATOM 0 HB THR A 44 72.332 6.713 -2.539 1.00 0.00 H new ATOM 0 HG1 THR A 44 72.885 6.080 -4.709 1.00 0.00 H new ATOM 0 HG21 THR A 44 72.418 4.309 -3.131 1.00 0.00 H new ATOM 0 HG22 THR A 44 71.130 4.628 -1.945 1.00 0.00 H new ATOM 0 HG23 THR A 44 70.720 4.376 -3.659 1.00 0.00 H new ATOM 664 N LYS A 45 71.069 9.263 -3.048 1.00 0.00 N ATOM 665 CA LYS A 45 71.146 10.648 -3.592 1.00 0.00 C ATOM 666 C LYS A 45 72.015 10.655 -4.853 1.00 0.00 C ATOM 667 O LYS A 45 72.267 11.689 -5.438 1.00 0.00 O ATOM 668 CB LYS A 45 71.763 11.575 -2.542 1.00 0.00 C ATOM 669 CG LYS A 45 71.583 13.030 -2.977 1.00 0.00 C ATOM 670 CD LYS A 45 70.717 13.767 -1.953 1.00 0.00 C ATOM 671 CE LYS A 45 70.713 15.263 -2.270 1.00 0.00 C ATOM 672 NZ LYS A 45 69.882 15.983 -1.264 1.00 0.00 N ATOM 0 H LYS A 45 71.665 9.079 -2.241 1.00 0.00 H new ATOM 0 HA LYS A 45 70.143 10.996 -3.840 1.00 0.00 H new ATOM 0 HB2 LYS A 45 71.289 11.412 -1.574 1.00 0.00 H new ATOM 0 HB3 LYS A 45 72.822 11.349 -2.420 1.00 0.00 H new ATOM 0 HG2 LYS A 45 72.554 13.517 -3.065 1.00 0.00 H new ATOM 0 HG3 LYS A 45 71.116 13.071 -3.961 1.00 0.00 H new ATOM 0 HD2 LYS A 45 69.699 13.377 -1.974 1.00 0.00 H new ATOM 0 HD3 LYS A 45 71.102 13.599 -0.947 1.00 0.00 H new ATOM 0 HE2 LYS A 45 71.732 15.650 -2.260 1.00 0.00 H new ATOM 0 HE3 LYS A 45 70.318 15.432 -3.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 69.880 17.000 -1.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 68.908 15.620 -1.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 70.278 15.832 -0.314 1.00 0.00 H new ATOM 686 N LYS A 46 72.475 9.508 -5.277 1.00 0.00 N ATOM 687 CA LYS A 46 73.325 9.451 -6.498 1.00 0.00 C ATOM 688 C LYS A 46 72.498 8.915 -7.668 1.00 0.00 C ATOM 689 O LYS A 46 73.019 8.313 -8.586 1.00 0.00 O ATOM 690 CB LYS A 46 74.517 8.524 -6.247 1.00 0.00 C ATOM 691 CG LYS A 46 75.787 9.359 -6.069 1.00 0.00 C ATOM 692 CD LYS A 46 75.568 10.394 -4.963 1.00 0.00 C ATOM 693 CE LYS A 46 76.920 10.824 -4.391 1.00 0.00 C ATOM 694 NZ LYS A 46 76.702 11.746 -3.240 1.00 0.00 N ATOM 0 H LYS A 46 72.298 8.609 -4.829 1.00 0.00 H new ATOM 0 HA LYS A 46 73.688 10.451 -6.737 1.00 0.00 H new ATOM 0 HB2 LYS A 46 74.340 7.919 -5.358 1.00 0.00 H new ATOM 0 HB3 LYS A 46 74.637 7.835 -7.083 1.00 0.00 H new ATOM 0 HG2 LYS A 46 76.627 8.713 -5.815 1.00 0.00 H new ATOM 0 HG3 LYS A 46 76.040 9.859 -7.004 1.00 0.00 H new ATOM 0 HD2 LYS A 46 75.037 11.259 -5.360 1.00 0.00 H new ATOM 0 HD3 LYS A 46 74.945 9.973 -4.174 1.00 0.00 H new ATOM 0 HE2 LYS A 46 77.485 9.950 -4.068 1.00 0.00 H new ATOM 0 HE3 LYS A 46 77.512 11.320 -5.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 77.621 12.039 -2.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 76.179 12.585 -3.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 76.154 11.258 -2.503 1.00 0.00 H new ATOM 708 N GLY A 47 71.211 9.129 -7.641 1.00 0.00 N ATOM 709 CA GLY A 47 70.349 8.636 -8.746 1.00 0.00 C ATOM 710 C GLY A 47 70.490 7.120 -8.867 1.00 0.00 C ATOM 711 O GLY A 47 70.508 6.572 -9.952 1.00 0.00 O ATOM 0 H GLY A 47 70.720 9.626 -6.898 1.00 0.00 H new ATOM 0 HA2 GLY A 47 69.309 8.901 -8.555 1.00 0.00 H new ATOM 0 HA3 GLY A 47 70.633 9.114 -9.684 1.00 0.00 H new ATOM 715 N ARG A 48 70.591 6.436 -7.761 1.00 0.00 N ATOM 716 CA ARG A 48 70.730 4.954 -7.810 1.00 0.00 C ATOM 717 C ARG A 48 69.659 4.311 -6.927 1.00 0.00 C ATOM 718 O ARG A 48 69.140 4.925 -6.016 1.00 0.00 O ATOM 719 CB ARG A 48 72.117 4.555 -7.301 1.00 0.00 C ATOM 720 CG ARG A 48 72.512 3.205 -7.902 1.00 0.00 C ATOM 721 CD ARG A 48 73.650 2.594 -7.083 1.00 0.00 C ATOM 722 NE ARG A 48 74.879 3.421 -7.245 1.00 0.00 N ATOM 723 CZ ARG A 48 76.049 2.911 -6.974 1.00 0.00 C ATOM 724 NH1 ARG A 48 76.134 1.816 -6.269 1.00 0.00 N ATOM 725 NH2 ARG A 48 77.132 3.495 -7.407 1.00 0.00 N ATOM 0 H ARG A 48 70.583 6.840 -6.825 1.00 0.00 H new ATOM 0 HA ARG A 48 70.607 4.612 -8.838 1.00 0.00 H new ATOM 0 HB2 ARG A 48 72.849 5.315 -7.575 1.00 0.00 H new ATOM 0 HB3 ARG A 48 72.113 4.493 -6.213 1.00 0.00 H new ATOM 0 HG2 ARG A 48 71.654 2.533 -7.909 1.00 0.00 H new ATOM 0 HG3 ARG A 48 72.824 3.334 -8.938 1.00 0.00 H new ATOM 0 HD2 ARG A 48 73.369 2.544 -6.031 1.00 0.00 H new ATOM 0 HD3 ARG A 48 73.841 1.572 -7.411 1.00 0.00 H new ATOM 0 HE ARG A 48 74.806 4.386 -7.568 1.00 0.00 H new ATOM 0 HH11 ARG A 48 75.287 1.360 -5.931 1.00 0.00 H new ATOM 0 HH12 ARG A 48 77.048 1.416 -6.056 1.00 0.00 H new ATOM 0 HH21 ARG A 48 77.065 4.351 -7.958 1.00 0.00 H new ATOM 0 HH22 ARG A 48 78.046 3.096 -7.195 1.00 0.00 H new ATOM 739 N ARG A 49 69.321 3.077 -7.190 1.00 0.00 N ATOM 740 CA ARG A 49 68.283 2.397 -6.366 1.00 0.00 C ATOM 741 C ARG A 49 68.605 0.904 -6.271 1.00 0.00 C ATOM 742 O ARG A 49 69.082 0.301 -7.212 1.00 0.00 O ATOM 743 CB ARG A 49 66.912 2.580 -7.022 1.00 0.00 C ATOM 744 CG ARG A 49 67.032 2.348 -8.529 1.00 0.00 C ATOM 745 CD ARG A 49 65.796 2.909 -9.233 1.00 0.00 C ATOM 746 NE ARG A 49 65.868 2.596 -10.688 1.00 0.00 N ATOM 747 CZ ARG A 49 64.776 2.356 -11.360 1.00 0.00 C ATOM 748 NH1 ARG A 49 63.879 1.540 -10.878 1.00 0.00 N ATOM 749 NH2 ARG A 49 64.579 2.932 -12.515 1.00 0.00 N ATOM 0 H ARG A 49 69.719 2.512 -7.940 1.00 0.00 H new ATOM 0 HA ARG A 49 68.270 2.831 -5.366 1.00 0.00 H new ATOM 0 HB2 ARG A 49 66.195 1.881 -6.592 1.00 0.00 H new ATOM 0 HB3 ARG A 49 66.535 3.584 -6.827 1.00 0.00 H new ATOM 0 HG2 ARG A 49 67.931 2.831 -8.911 1.00 0.00 H new ATOM 0 HG3 ARG A 49 67.129 1.282 -8.737 1.00 0.00 H new ATOM 0 HD2 ARG A 49 64.892 2.479 -8.802 1.00 0.00 H new ATOM 0 HD3 ARG A 49 65.738 3.987 -9.085 1.00 0.00 H new ATOM 0 HE ARG A 49 66.772 2.569 -11.159 1.00 0.00 H new ATOM 0 HH11 ARG A 49 64.032 1.090 -9.976 1.00 0.00 H new ATOM 0 HH12 ARG A 49 63.025 1.353 -11.404 1.00 0.00 H new ATOM 0 HH21 ARG A 49 65.279 3.570 -12.893 1.00 0.00 H new ATOM 0 HH22 ARG A 49 63.725 2.744 -13.040 1.00 0.00 H new ATOM 763 N PHE A 50 68.349 0.303 -5.141 1.00 0.00 N ATOM 764 CA PHE A 50 68.641 -1.150 -4.988 1.00 0.00 C ATOM 765 C PHE A 50 67.454 -1.841 -4.314 1.00 0.00 C ATOM 766 O PHE A 50 66.764 -1.258 -3.501 1.00 0.00 O ATOM 767 CB PHE A 50 69.895 -1.332 -4.130 1.00 0.00 C ATOM 768 CG PHE A 50 69.723 -0.595 -2.824 1.00 0.00 C ATOM 769 CD1 PHE A 50 68.887 -1.118 -1.830 1.00 0.00 C ATOM 770 CD2 PHE A 50 70.400 0.611 -2.606 1.00 0.00 C ATOM 771 CE1 PHE A 50 68.728 -0.434 -0.618 1.00 0.00 C ATOM 772 CE2 PHE A 50 70.241 1.294 -1.394 1.00 0.00 C ATOM 773 CZ PHE A 50 69.405 0.772 -0.401 1.00 0.00 C ATOM 0 H PHE A 50 67.951 0.755 -4.318 1.00 0.00 H new ATOM 0 HA PHE A 50 68.808 -1.592 -5.970 1.00 0.00 H new ATOM 0 HB2 PHE A 50 70.069 -2.391 -3.942 1.00 0.00 H new ATOM 0 HB3 PHE A 50 70.769 -0.955 -4.660 1.00 0.00 H new ATOM 0 HD1 PHE A 50 68.365 -2.048 -1.998 1.00 0.00 H new ATOM 0 HD2 PHE A 50 71.045 1.014 -3.373 1.00 0.00 H new ATOM 0 HE1 PHE A 50 68.083 -0.837 0.149 1.00 0.00 H new ATOM 0 HE2 PHE A 50 70.764 2.224 -1.226 1.00 0.00 H new ATOM 0 HZ PHE A 50 69.282 1.300 0.533 1.00 0.00 H new ATOM 783 N CYS A 51 67.208 -3.078 -4.649 1.00 0.00 N ATOM 784 CA CYS A 51 66.068 -3.806 -4.036 1.00 0.00 C ATOM 785 C CYS A 51 66.439 -4.252 -2.620 1.00 0.00 C ATOM 786 O CYS A 51 67.599 -4.370 -2.278 1.00 0.00 O ATOM 787 CB CYS A 51 65.749 -5.031 -4.889 1.00 0.00 C ATOM 788 SG CYS A 51 65.403 -4.510 -6.588 1.00 0.00 S ATOM 0 H CYS A 51 67.752 -3.616 -5.324 1.00 0.00 H new ATOM 0 HA CYS A 51 65.198 -3.151 -3.986 1.00 0.00 H new ATOM 0 HB2 CYS A 51 66.588 -5.726 -4.874 1.00 0.00 H new ATOM 0 HB3 CYS A 51 64.890 -5.560 -4.477 1.00 0.00 H new ATOM 793 N ALA A 52 65.459 -4.502 -1.794 1.00 0.00 N ATOM 794 CA ALA A 52 65.750 -4.944 -0.401 1.00 0.00 C ATOM 795 C ALA A 52 64.640 -5.884 0.073 1.00 0.00 C ATOM 796 O ALA A 52 63.599 -5.989 -0.545 1.00 0.00 O ATOM 797 CB ALA A 52 65.812 -3.723 0.520 1.00 0.00 C ATOM 0 H ALA A 52 64.469 -4.419 -2.025 1.00 0.00 H new ATOM 0 HA ALA A 52 66.707 -5.466 -0.376 1.00 0.00 H new ATOM 0 HB1 ALA A 52 66.025 -4.046 1.539 1.00 0.00 H new ATOM 0 HB2 ALA A 52 66.600 -3.051 0.180 1.00 0.00 H new ATOM 0 HB3 ALA A 52 64.855 -3.201 0.497 1.00 0.00 H new ATOM 803 N ASN A 53 64.851 -6.569 1.163 1.00 0.00 N ATOM 804 CA ASN A 53 63.803 -7.500 1.669 1.00 0.00 C ATOM 805 C ASN A 53 62.798 -6.718 2.525 1.00 0.00 C ATOM 806 O ASN A 53 63.187 -5.913 3.348 1.00 0.00 O ATOM 807 CB ASN A 53 64.458 -8.590 2.521 1.00 0.00 C ATOM 808 CG ASN A 53 63.443 -9.701 2.796 1.00 0.00 C ATOM 809 OD1 ASN A 53 62.809 -9.717 3.832 1.00 0.00 O ATOM 810 ND2 ASN A 53 63.262 -10.638 1.906 1.00 0.00 N ATOM 0 H ASN A 53 65.702 -6.525 1.724 1.00 0.00 H new ATOM 0 HA ASN A 53 63.285 -7.959 0.827 1.00 0.00 H new ATOM 0 HB2 ASN A 53 65.327 -8.997 2.005 1.00 0.00 H new ATOM 0 HB3 ASN A 53 64.814 -8.167 3.461 1.00 0.00 H new ATOM 0 HD21 ASN A 53 62.588 -11.384 2.080 1.00 0.00 H new ATOM 0 HD22 ASN A 53 63.794 -10.625 1.036 1.00 0.00 H new ATOM 817 N PRO A 54 61.532 -6.980 2.311 1.00 0.00 N ATOM 818 CA PRO A 54 60.452 -6.309 3.053 1.00 0.00 C ATOM 819 C PRO A 54 60.353 -6.877 4.469 1.00 0.00 C ATOM 820 O PRO A 54 59.771 -6.278 5.352 1.00 0.00 O ATOM 821 CB PRO A 54 59.197 -6.630 2.236 1.00 0.00 C ATOM 822 CG PRO A 54 59.526 -7.898 1.415 1.00 0.00 C ATOM 823 CD PRO A 54 61.061 -7.973 1.322 1.00 0.00 C ATOM 0 HA PRO A 54 60.608 -5.236 3.168 1.00 0.00 H new ATOM 0 HB2 PRO A 54 58.341 -6.801 2.889 1.00 0.00 H new ATOM 0 HB3 PRO A 54 58.937 -5.799 1.580 1.00 0.00 H new ATOM 0 HG2 PRO A 54 59.123 -8.788 1.898 1.00 0.00 H new ATOM 0 HG3 PRO A 54 59.079 -7.844 0.422 1.00 0.00 H new ATOM 0 HD2 PRO A 54 61.426 -8.973 1.556 1.00 0.00 H new ATOM 0 HD3 PRO A 54 61.412 -7.733 0.318 1.00 0.00 H new ATOM 831 N SER A 55 60.929 -8.025 4.694 1.00 0.00 N ATOM 832 CA SER A 55 60.880 -8.628 6.053 1.00 0.00 C ATOM 833 C SER A 55 62.189 -8.324 6.785 1.00 0.00 C ATOM 834 O SER A 55 62.443 -8.833 7.859 1.00 0.00 O ATOM 835 CB SER A 55 60.700 -10.142 5.935 1.00 0.00 C ATOM 836 OG SER A 55 59.678 -10.420 4.986 1.00 0.00 O ATOM 0 H SER A 55 61.432 -8.571 3.994 1.00 0.00 H new ATOM 0 HA SER A 55 60.042 -8.208 6.610 1.00 0.00 H new ATOM 0 HB2 SER A 55 61.636 -10.608 5.626 1.00 0.00 H new ATOM 0 HB3 SER A 55 60.437 -10.565 6.904 1.00 0.00 H new ATOM 0 HG SER A 55 59.561 -11.390 4.906 1.00 0.00 H new ATOM 842 N ASP A 56 63.024 -7.497 6.212 1.00 0.00 N ATOM 843 CA ASP A 56 64.313 -7.164 6.878 1.00 0.00 C ATOM 844 C ASP A 56 64.051 -6.217 8.051 1.00 0.00 C ATOM 845 O ASP A 56 63.329 -5.247 7.929 1.00 0.00 O ATOM 846 CB ASP A 56 65.247 -6.487 5.873 1.00 0.00 C ATOM 847 CG ASP A 56 66.659 -6.413 6.457 1.00 0.00 C ATOM 848 OD1 ASP A 56 66.812 -6.721 7.627 1.00 0.00 O ATOM 849 OD2 ASP A 56 67.563 -6.049 5.723 1.00 0.00 O ATOM 0 H ASP A 56 62.868 -7.040 5.314 1.00 0.00 H new ATOM 0 HA ASP A 56 64.779 -8.078 7.246 1.00 0.00 H new ATOM 0 HB2 ASP A 56 65.258 -7.046 4.937 1.00 0.00 H new ATOM 0 HB3 ASP A 56 64.885 -5.485 5.642 1.00 0.00 H new ATOM 854 N LYS A 57 64.634 -6.489 9.186 1.00 0.00 N ATOM 855 CA LYS A 57 64.424 -5.609 10.363 1.00 0.00 C ATOM 856 C LYS A 57 65.028 -4.231 10.068 1.00 0.00 C ATOM 857 O LYS A 57 64.537 -3.216 10.520 1.00 0.00 O ATOM 858 CB LYS A 57 65.101 -6.255 11.584 1.00 0.00 C ATOM 859 CG LYS A 57 65.530 -5.185 12.590 1.00 0.00 C ATOM 860 CD LYS A 57 64.294 -4.486 13.157 1.00 0.00 C ATOM 861 CE LYS A 57 64.703 -3.603 14.337 1.00 0.00 C ATOM 862 NZ LYS A 57 63.930 -4.000 15.547 1.00 0.00 N ATOM 0 H LYS A 57 65.249 -7.287 9.346 1.00 0.00 H new ATOM 0 HA LYS A 57 63.361 -5.485 10.572 1.00 0.00 H new ATOM 0 HB2 LYS A 57 64.414 -6.955 12.060 1.00 0.00 H new ATOM 0 HB3 LYS A 57 65.970 -6.830 11.263 1.00 0.00 H new ATOM 0 HG2 LYS A 57 66.105 -5.640 13.397 1.00 0.00 H new ATOM 0 HG3 LYS A 57 66.181 -4.457 12.106 1.00 0.00 H new ATOM 0 HD2 LYS A 57 63.819 -3.882 12.384 1.00 0.00 H new ATOM 0 HD3 LYS A 57 63.561 -5.225 13.479 1.00 0.00 H new ATOM 0 HE2 LYS A 57 65.772 -3.703 14.526 1.00 0.00 H new ATOM 0 HE3 LYS A 57 64.518 -2.555 14.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 64.208 -3.399 16.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 62.913 -3.883 15.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 64.128 -4.995 15.775 1.00 0.00 H new ATOM 876 N GLN A 58 66.089 -4.189 9.309 1.00 0.00 N ATOM 877 CA GLN A 58 66.723 -2.881 8.984 1.00 0.00 C ATOM 878 C GLN A 58 65.809 -2.090 8.046 1.00 0.00 C ATOM 879 O GLN A 58 65.845 -0.876 8.008 1.00 0.00 O ATOM 880 CB GLN A 58 68.070 -3.122 8.300 1.00 0.00 C ATOM 881 CG GLN A 58 69.132 -3.431 9.356 1.00 0.00 C ATOM 882 CD GLN A 58 70.050 -2.220 9.526 1.00 0.00 C ATOM 883 OE1 GLN A 58 69.958 -1.264 8.781 1.00 0.00 O ATOM 884 NE2 GLN A 58 70.939 -2.218 10.482 1.00 0.00 N ATOM 0 H GLN A 58 66.544 -5.005 8.900 1.00 0.00 H new ATOM 0 HA GLN A 58 66.879 -2.315 9.903 1.00 0.00 H new ATOM 0 HB2 GLN A 58 67.989 -3.951 7.597 1.00 0.00 H new ATOM 0 HB3 GLN A 58 68.360 -2.243 7.724 1.00 0.00 H new ATOM 0 HG2 GLN A 58 68.656 -3.676 10.305 1.00 0.00 H new ATOM 0 HG3 GLN A 58 69.714 -4.303 9.057 1.00 0.00 H new ATOM 0 HE21 GLN A 58 71.017 -3.020 11.108 1.00 0.00 H new ATOM 0 HE22 GLN A 58 71.556 -1.415 10.603 1.00 0.00 H new ATOM 893 N VAL A 59 64.989 -2.766 7.290 1.00 0.00 N ATOM 894 CA VAL A 59 64.075 -2.049 6.357 1.00 0.00 C ATOM 895 C VAL A 59 62.926 -1.427 7.153 1.00 0.00 C ATOM 896 O VAL A 59 62.531 -0.303 6.915 1.00 0.00 O ATOM 897 CB VAL A 59 63.514 -3.037 5.332 1.00 0.00 C ATOM 898 CG1 VAL A 59 62.346 -2.392 4.582 1.00 0.00 C ATOM 899 CG2 VAL A 59 64.613 -3.412 4.334 1.00 0.00 C ATOM 0 H VAL A 59 64.912 -3.783 7.278 1.00 0.00 H new ATOM 0 HA VAL A 59 64.624 -1.264 5.838 1.00 0.00 H new ATOM 0 HB VAL A 59 63.164 -3.932 5.846 1.00 0.00 H new ATOM 0 HG11 VAL A 59 61.948 -3.097 3.853 1.00 0.00 H new ATOM 0 HG12 VAL A 59 61.563 -2.122 5.291 1.00 0.00 H new ATOM 0 HG13 VAL A 59 62.694 -1.496 4.068 1.00 0.00 H new ATOM 0 HG21 VAL A 59 64.216 -4.116 3.603 1.00 0.00 H new ATOM 0 HG22 VAL A 59 64.961 -2.515 3.822 1.00 0.00 H new ATOM 0 HG23 VAL A 59 65.446 -3.873 4.866 1.00 0.00 H new ATOM 909 N GLN A 60 62.388 -2.149 8.097 1.00 0.00 N ATOM 910 CA GLN A 60 61.267 -1.596 8.907 1.00 0.00 C ATOM 911 C GLN A 60 61.763 -0.389 9.706 1.00 0.00 C ATOM 912 O GLN A 60 61.042 0.564 9.921 1.00 0.00 O ATOM 913 CB GLN A 60 60.755 -2.670 9.870 1.00 0.00 C ATOM 914 CG GLN A 60 61.930 -3.254 10.656 1.00 0.00 C ATOM 915 CD GLN A 60 61.400 -4.182 11.751 1.00 0.00 C ATOM 916 OE1 GLN A 60 61.442 -3.793 12.996 1.00 0.00 O flip ATOM 917 NE2 GLN A 60 60.945 -5.273 11.471 1.00 0.00 N flip ATOM 0 H GLN A 60 62.676 -3.096 8.342 1.00 0.00 H new ATOM 0 HA GLN A 60 60.458 -1.286 8.245 1.00 0.00 H new ATOM 0 HB2 GLN A 60 60.024 -2.241 10.555 1.00 0.00 H new ATOM 0 HB3 GLN A 60 60.247 -3.459 9.315 1.00 0.00 H new ATOM 0 HG2 GLN A 60 62.591 -3.804 9.987 1.00 0.00 H new ATOM 0 HG3 GLN A 60 62.520 -2.452 11.099 1.00 0.00 H new ATOM 0 HE21 GLN A 60 60.912 -5.577 10.498 1.00 0.00 H new ATOM 0 HE22 GLN A 60 60.596 -5.885 12.209 1.00 0.00 H new ATOM 926 N VAL A 61 62.991 -0.423 10.147 1.00 0.00 N ATOM 927 CA VAL A 61 63.532 0.724 10.931 1.00 0.00 C ATOM 928 C VAL A 61 63.766 1.915 9.999 1.00 0.00 C ATOM 929 O VAL A 61 63.562 3.054 10.370 1.00 0.00 O ATOM 930 CB VAL A 61 64.856 0.318 11.580 1.00 0.00 C ATOM 931 CG1 VAL A 61 65.523 1.550 12.196 1.00 0.00 C ATOM 932 CG2 VAL A 61 64.589 -0.716 12.676 1.00 0.00 C ATOM 0 H VAL A 61 63.642 -1.194 9.999 1.00 0.00 H new ATOM 0 HA VAL A 61 62.817 1.003 11.705 1.00 0.00 H new ATOM 0 HB VAL A 61 65.514 -0.112 10.824 1.00 0.00 H new ATOM 0 HG11 VAL A 61 66.467 1.260 12.658 1.00 0.00 H new ATOM 0 HG12 VAL A 61 65.712 2.289 11.417 1.00 0.00 H new ATOM 0 HG13 VAL A 61 64.866 1.980 12.952 1.00 0.00 H new ATOM 0 HG21 VAL A 61 65.532 -1.006 13.140 1.00 0.00 H new ATOM 0 HG22 VAL A 61 63.931 -0.285 13.431 1.00 0.00 H new ATOM 0 HG23 VAL A 61 64.114 -1.594 12.240 1.00 0.00 H new ATOM 942 N CYS A 62 64.192 1.661 8.792 1.00 0.00 N ATOM 943 CA CYS A 62 64.439 2.779 7.839 1.00 0.00 C ATOM 944 C CYS A 62 63.111 3.449 7.482 1.00 0.00 C ATOM 945 O CYS A 62 63.053 4.633 7.215 1.00 0.00 O ATOM 946 CB CYS A 62 65.090 2.231 6.567 1.00 0.00 C ATOM 947 SG CYS A 62 66.751 2.928 6.390 1.00 0.00 S ATOM 0 H CYS A 62 64.380 0.728 8.425 1.00 0.00 H new ATOM 0 HA CYS A 62 65.102 3.510 8.302 1.00 0.00 H new ATOM 0 HB2 CYS A 62 65.144 1.143 6.613 1.00 0.00 H new ATOM 0 HB3 CYS A 62 64.483 2.484 5.697 1.00 0.00 H new ATOM 952 N MET A 63 62.042 2.700 7.474 1.00 0.00 N ATOM 953 CA MET A 63 60.719 3.294 7.133 1.00 0.00 C ATOM 954 C MET A 63 60.412 4.441 8.099 1.00 0.00 C ATOM 955 O MET A 63 59.961 5.496 7.701 1.00 0.00 O ATOM 956 CB MET A 63 59.633 2.223 7.251 1.00 0.00 C ATOM 957 CG MET A 63 59.028 1.956 5.872 1.00 0.00 C ATOM 958 SD MET A 63 57.226 1.867 6.011 1.00 0.00 S ATOM 959 CE MET A 63 57.068 0.081 5.771 1.00 0.00 C ATOM 0 H MET A 63 62.028 1.703 7.689 1.00 0.00 H new ATOM 0 HA MET A 63 60.743 3.675 6.112 1.00 0.00 H new ATOM 0 HB2 MET A 63 60.056 1.305 7.658 1.00 0.00 H new ATOM 0 HB3 MET A 63 58.857 2.551 7.943 1.00 0.00 H new ATOM 0 HG2 MET A 63 59.311 2.748 5.179 1.00 0.00 H new ATOM 0 HG3 MET A 63 59.419 1.023 5.466 1.00 0.00 H new ATOM 0 HE1 MET A 63 56.016 -0.201 5.820 1.00 0.00 H new ATOM 0 HE2 MET A 63 57.472 -0.192 4.796 1.00 0.00 H new ATOM 0 HE3 MET A 63 57.620 -0.441 6.552 1.00 0.00 H new ATOM 969 N ARG A 64 60.651 4.241 9.366 1.00 0.00 N ATOM 970 CA ARG A 64 60.373 5.320 10.355 1.00 0.00 C ATOM 971 C ARG A 64 61.252 6.534 10.047 1.00 0.00 C ATOM 972 O ARG A 64 61.040 7.613 10.564 1.00 0.00 O ATOM 973 CB ARG A 64 60.681 4.810 11.764 1.00 0.00 C ATOM 974 CG ARG A 64 59.792 3.605 12.077 1.00 0.00 C ATOM 975 CD ARG A 64 58.322 4.018 11.990 1.00 0.00 C ATOM 976 NE ARG A 64 57.651 3.743 13.292 1.00 0.00 N ATOM 977 CZ ARG A 64 57.979 4.428 14.353 1.00 0.00 C ATOM 978 NH1 ARG A 64 58.342 5.677 14.237 1.00 0.00 N ATOM 979 NH2 ARG A 64 57.944 3.865 15.529 1.00 0.00 N ATOM 0 H ARG A 64 61.026 3.378 9.759 1.00 0.00 H new ATOM 0 HA ARG A 64 59.324 5.608 10.294 1.00 0.00 H new ATOM 0 HB2 ARG A 64 61.732 4.529 11.839 1.00 0.00 H new ATOM 0 HB3 ARG A 64 60.510 5.601 12.494 1.00 0.00 H new ATOM 0 HG2 ARG A 64 59.996 2.797 11.374 1.00 0.00 H new ATOM 0 HG3 ARG A 64 60.015 3.224 13.074 1.00 0.00 H new ATOM 0 HD2 ARG A 64 58.245 5.077 11.745 1.00 0.00 H new ATOM 0 HD3 ARG A 64 57.826 3.469 11.190 1.00 0.00 H new ATOM 0 HE ARG A 64 56.935 3.019 13.354 1.00 0.00 H new ATOM 0 HH11 ARG A 64 58.369 6.117 13.317 1.00 0.00 H new ATOM 0 HH12 ARG A 64 58.598 6.213 15.066 1.00 0.00 H new ATOM 0 HH21 ARG A 64 57.660 2.889 15.619 1.00 0.00 H new ATOM 0 HH22 ARG A 64 58.200 4.400 16.359 1.00 0.00 H new ATOM 993 N MET A 65 62.237 6.367 9.208 1.00 0.00 N ATOM 994 CA MET A 65 63.128 7.512 8.868 1.00 0.00 C ATOM 995 C MET A 65 62.579 8.235 7.636 1.00 0.00 C ATOM 996 O MET A 65 62.449 9.442 7.620 1.00 0.00 O ATOM 997 CB MET A 65 64.536 6.991 8.569 1.00 0.00 C ATOM 998 CG MET A 65 65.495 8.173 8.413 1.00 0.00 C ATOM 999 SD MET A 65 67.192 7.617 8.710 1.00 0.00 S ATOM 1000 CE MET A 65 67.013 7.272 10.477 1.00 0.00 C ATOM 0 H MET A 65 62.463 5.488 8.743 1.00 0.00 H new ATOM 0 HA MET A 65 63.168 8.205 9.709 1.00 0.00 H new ATOM 0 HB2 MET A 65 64.873 6.339 9.375 1.00 0.00 H new ATOM 0 HB3 MET A 65 64.528 6.393 7.658 1.00 0.00 H new ATOM 0 HG2 MET A 65 65.409 8.595 7.412 1.00 0.00 H new ATOM 0 HG3 MET A 65 65.232 8.964 9.116 1.00 0.00 H new ATOM 0 HE1 MET A 65 67.802 7.783 11.029 1.00 0.00 H new ATOM 0 HE2 MET A 65 66.041 7.627 10.820 1.00 0.00 H new ATOM 0 HE3 MET A 65 67.088 6.198 10.647 1.00 0.00 H new ATOM 1010 N LEU A 66 62.254 7.505 6.604 1.00 0.00 N ATOM 1011 CA LEU A 66 61.712 8.151 5.376 1.00 0.00 C ATOM 1012 C LEU A 66 60.376 8.821 5.702 1.00 0.00 C ATOM 1013 O LEU A 66 60.095 9.918 5.259 1.00 0.00 O ATOM 1014 CB LEU A 66 61.500 7.092 4.292 1.00 0.00 C ATOM 1015 CG LEU A 66 62.839 6.758 3.634 1.00 0.00 C ATOM 1016 CD1 LEU A 66 63.466 8.036 3.074 1.00 0.00 C ATOM 1017 CD2 LEU A 66 63.779 6.145 4.674 1.00 0.00 C ATOM 0 H LEU A 66 62.340 6.490 6.559 1.00 0.00 H new ATOM 0 HA LEU A 66 62.418 8.900 5.018 1.00 0.00 H new ATOM 0 HB2 LEU A 66 61.063 6.193 4.728 1.00 0.00 H new ATOM 0 HB3 LEU A 66 60.797 7.458 3.544 1.00 0.00 H new ATOM 0 HG LEU A 66 62.677 6.047 2.824 1.00 0.00 H new ATOM 0 HD11 LEU A 66 64.421 7.798 2.605 1.00 0.00 H new ATOM 0 HD12 LEU A 66 62.797 8.475 2.333 1.00 0.00 H new ATOM 0 HD13 LEU A 66 63.627 8.747 3.884 1.00 0.00 H new ATOM 0 HD21 LEU A 66 64.734 5.907 4.206 1.00 0.00 H new ATOM 0 HD22 LEU A 66 63.940 6.857 5.484 1.00 0.00 H new ATOM 0 HD23 LEU A 66 63.334 5.234 5.075 1.00 0.00 H new