USER MOD reduce.3.24.130724 H: found=0, std=0, add=455, rem=0, adj=12 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 Set 1.1: A 39 LYS NZ :NH3+ 150:sc= 0 (180deg=-0.0167) USER MOD Set 1.2: A 57 HIS : no HD1:sc= -0.105 X(o=-0.11,f=-0.38) USER MOD Single : A 12 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.167) 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= -0.0397 K(o=-0.04,f=-1.2!) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ -171:sc= 0.386 (180deg=0.348) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 GLN : amide:sc= -2.73 X(o=-2.7,f=-3.2!) USER MOD Single : A 59 SER OG : rot 93:sc= 0.46 USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 100 N PHE A 9 21.476 18.288 24.121 1.00 0.00 N ATOM 101 CA PHE A 9 21.699 17.213 25.081 1.00 0.00 C ATOM 102 C PHE A 9 23.185 16.892 25.201 1.00 0.00 C ATOM 103 O PHE A 9 23.644 16.389 26.226 1.00 0.00 O ATOM 104 CB PHE A 9 20.927 15.960 24.664 1.00 0.00 C ATOM 105 CG PHE A 9 20.052 15.406 25.753 1.00 0.00 C ATOM 106 CD1 PHE A 9 20.602 14.694 26.806 1.00 0.00 C ATOM 107 CD2 PHE A 9 18.680 15.596 25.721 1.00 0.00 C ATOM 108 CE1 PHE A 9 19.799 14.183 27.808 1.00 0.00 C ATOM 109 CE2 PHE A 9 17.872 15.087 26.721 1.00 0.00 C ATOM 110 CZ PHE A 9 18.432 14.380 27.766 1.00 0.00 C ATOM 0 HA PHE A 9 21.337 17.547 26.054 1.00 0.00 H new ATOM 0 HB2 PHE A 9 20.310 16.195 23.797 1.00 0.00 H new ATOM 0 HB3 PHE A 9 21.636 15.193 24.352 1.00 0.00 H new ATOM 0 HD1 PHE A 9 21.670 14.536 26.844 1.00 0.00 H new ATOM 0 HD2 PHE A 9 18.236 16.148 24.906 1.00 0.00 H new ATOM 0 HE1 PHE A 9 20.240 13.630 28.624 1.00 0.00 H new ATOM 0 HE2 PHE A 9 16.804 15.242 26.685 1.00 0.00 H new ATOM 0 HZ PHE A 9 17.803 13.982 28.549 1.00 0.00 H new ATOM 119 N GLY A 10 23.936 17.185 24.142 1.00 0.00 N ATOM 120 CA GLY A 10 25.363 16.921 24.148 1.00 0.00 C ATOM 121 C GLY A 10 26.073 17.595 25.305 1.00 0.00 C ATOM 122 O GLY A 10 26.748 16.936 26.095 1.00 0.00 O ATOM 0 H GLY A 10 23.581 17.600 23.281 1.00 0.00 H new ATOM 0 HA2 GLY A 10 25.530 15.845 24.201 1.00 0.00 H new ATOM 0 HA3 GLY A 10 25.797 17.265 23.209 1.00 0.00 H new ATOM 126 N GLU A 11 25.922 18.912 25.404 1.00 0.00 N ATOM 127 CA GLU A 11 26.557 19.675 26.472 1.00 0.00 C ATOM 128 C GLU A 11 26.222 19.081 27.838 1.00 0.00 C ATOM 129 O GLU A 11 27.111 18.809 28.645 1.00 0.00 O ATOM 130 CB GLU A 11 26.114 21.138 26.416 1.00 0.00 C ATOM 131 CG GLU A 11 27.259 22.112 26.194 1.00 0.00 C ATOM 132 CD GLU A 11 27.219 23.288 27.151 1.00 0.00 C ATOM 133 OE1 GLU A 11 27.423 23.071 28.364 1.00 0.00 O ATOM 134 OE2 GLU A 11 26.982 24.423 26.687 1.00 0.00 O ATOM 0 H GLU A 11 25.366 19.472 24.758 1.00 0.00 H new ATOM 0 HA GLU A 11 27.636 19.625 26.328 1.00 0.00 H new ATOM 0 HB2 GLU A 11 25.385 21.258 25.614 1.00 0.00 H new ATOM 0 HB3 GLU A 11 25.608 21.392 27.347 1.00 0.00 H new ATOM 0 HG2 GLU A 11 28.206 21.586 26.311 1.00 0.00 H new ATOM 0 HG3 GLU A 11 27.223 22.481 25.169 1.00 0.00 H new ATOM 139 N LYS A 12 24.932 18.885 28.090 1.00 0.00 N ATOM 140 CA LYS A 12 24.477 18.324 29.357 1.00 0.00 C ATOM 141 C LYS A 12 25.071 16.938 29.583 1.00 0.00 C ATOM 142 O LYS A 12 25.538 16.623 30.677 1.00 0.00 O ATOM 143 CB LYS A 12 22.948 18.245 29.383 1.00 0.00 C ATOM 144 CG LYS A 12 22.266 19.534 28.961 1.00 0.00 C ATOM 145 CD LYS A 12 21.077 19.854 29.852 1.00 0.00 C ATOM 146 CE LYS A 12 19.998 20.610 29.092 1.00 0.00 C ATOM 147 NZ LYS A 12 20.548 21.801 28.389 1.00 0.00 N ATOM 0 H LYS A 12 24.183 19.106 27.434 1.00 0.00 H new ATOM 0 HA LYS A 12 24.815 18.980 30.159 1.00 0.00 H new ATOM 0 HB2 LYS A 12 22.623 17.439 28.725 1.00 0.00 H new ATOM 0 HB3 LYS A 12 22.623 17.985 30.390 1.00 0.00 H new ATOM 0 HG2 LYS A 12 22.982 20.355 29.000 1.00 0.00 H new ATOM 0 HG3 LYS A 12 21.934 19.449 27.926 1.00 0.00 H new ATOM 0 HD2 LYS A 12 20.661 18.929 30.252 1.00 0.00 H new ATOM 0 HD3 LYS A 12 21.409 20.449 30.703 1.00 0.00 H new ATOM 0 HE2 LYS A 12 19.530 19.944 28.367 1.00 0.00 H new ATOM 0 HE3 LYS A 12 19.218 20.925 29.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 19.765 22.391 28.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 21.131 22.355 29.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 21.132 21.491 27.586 1.00 0.00 H new ATOM 157 N ALA A 13 25.052 16.113 28.541 1.00 0.00 N ATOM 158 CA ALA A 13 25.594 14.762 28.626 1.00 0.00 C ATOM 159 C ALA A 13 27.021 14.775 29.160 1.00 0.00 C ATOM 160 O ALA A 13 27.343 14.070 30.117 1.00 0.00 O ATOM 161 CB ALA A 13 25.544 14.088 27.263 1.00 0.00 C ATOM 0 H ALA A 13 24.667 16.356 27.628 1.00 0.00 H new ATOM 0 HA ALA A 13 24.979 14.193 29.324 1.00 0.00 H new ATOM 0 HB1 ALA A 13 25.952 13.080 27.340 1.00 0.00 H new ATOM 0 HB2 ALA A 13 24.511 14.036 26.920 1.00 0.00 H new ATOM 0 HB3 ALA A 13 26.134 14.664 26.550 1.00 0.00 H new ATOM 167 N SER A 14 27.875 15.581 28.536 1.00 0.00 N ATOM 168 CA SER A 14 29.271 15.681 28.946 1.00 0.00 C ATOM 169 C SER A 14 29.380 16.205 30.375 1.00 0.00 C ATOM 170 O SER A 14 30.342 15.909 31.083 1.00 0.00 O ATOM 171 CB SER A 14 30.039 16.600 27.994 1.00 0.00 C ATOM 172 OG SER A 14 31.180 15.945 27.465 1.00 0.00 O ATOM 0 H SER A 14 27.624 16.174 27.745 1.00 0.00 H new ATOM 0 HA SER A 14 29.708 14.683 28.908 1.00 0.00 H new ATOM 0 HB2 SER A 14 29.386 16.914 27.180 1.00 0.00 H new ATOM 0 HB3 SER A 14 30.346 17.502 28.523 1.00 0.00 H new ATOM 0 HG SER A 14 31.653 16.552 26.858 1.00 0.00 H new ATOM 177 N GLU A 15 28.388 16.985 30.790 1.00 0.00 N ATOM 178 CA GLU A 15 28.372 17.552 32.134 1.00 0.00 C ATOM 179 C GLU A 15 27.926 16.512 33.157 1.00 0.00 C ATOM 180 O GLU A 15 28.395 16.505 34.295 1.00 0.00 O ATOM 181 CB GLU A 15 27.446 18.768 32.188 1.00 0.00 C ATOM 182 CG GLU A 15 28.035 20.012 31.546 1.00 0.00 C ATOM 183 CD GLU A 15 28.048 21.203 32.484 1.00 0.00 C ATOM 184 OE1 GLU A 15 26.982 21.829 32.661 1.00 0.00 O ATOM 185 OE2 GLU A 15 29.122 21.509 33.043 1.00 0.00 O ATOM 0 H GLU A 15 27.584 17.239 30.215 1.00 0.00 H new ATOM 0 HA GLU A 15 29.386 17.867 32.380 1.00 0.00 H new ATOM 0 HB2 GLU A 15 26.508 18.522 31.690 1.00 0.00 H new ATOM 0 HB3 GLU A 15 27.207 18.986 33.229 1.00 0.00 H new ATOM 0 HG2 GLU A 15 29.053 19.800 31.220 1.00 0.00 H new ATOM 0 HG3 GLU A 15 27.460 20.263 30.654 1.00 0.00 H new ATOM 190 N ALA A 16 27.018 15.635 32.744 1.00 0.00 N ATOM 191 CA ALA A 16 26.509 14.590 33.623 1.00 0.00 C ATOM 192 C ALA A 16 27.615 13.614 34.013 1.00 0.00 C ATOM 193 O ALA A 16 27.869 13.390 35.197 1.00 0.00 O ATOM 194 CB ALA A 16 25.361 13.849 32.954 1.00 0.00 C ATOM 0 H ALA A 16 26.619 15.627 31.805 1.00 0.00 H new ATOM 0 HA ALA A 16 26.140 15.063 34.533 1.00 0.00 H new ATOM 0 HB1 ALA A 16 24.991 13.072 33.622 1.00 0.00 H new ATOM 0 HB2 ALA A 16 24.556 14.550 32.732 1.00 0.00 H new ATOM 0 HB3 ALA A 16 25.712 13.394 32.028 1.00 0.00 H new ATOM 200 N LEU A 17 28.268 13.036 33.011 1.00 0.00 N ATOM 201 CA LEU A 17 29.346 12.084 33.249 1.00 0.00 C ATOM 202 C LEU A 17 30.444 12.706 34.106 1.00 0.00 C ATOM 203 O LEU A 17 30.992 12.059 34.998 1.00 0.00 O ATOM 204 CB LEU A 17 29.933 11.604 31.920 1.00 0.00 C ATOM 205 CG LEU A 17 30.617 12.670 31.064 1.00 0.00 C ATOM 206 CD1 LEU A 17 32.090 12.781 31.426 1.00 0.00 C ATOM 207 CD2 LEU A 17 30.450 12.354 29.584 1.00 0.00 C ATOM 0 H LEU A 17 28.069 13.210 32.026 1.00 0.00 H new ATOM 0 HA LEU A 17 28.931 11.231 33.786 1.00 0.00 H new ATOM 0 HB2 LEU A 17 30.656 10.816 32.129 1.00 0.00 H new ATOM 0 HB3 LEU A 17 29.132 11.155 31.333 1.00 0.00 H new ATOM 0 HG LEU A 17 30.142 13.630 31.265 1.00 0.00 H new ATOM 0 HD11 LEU A 17 32.560 13.545 30.806 1.00 0.00 H new ATOM 0 HD12 LEU A 17 32.187 13.056 32.476 1.00 0.00 H new ATOM 0 HD13 LEU A 17 32.580 11.822 31.255 1.00 0.00 H new ATOM 0 HD21 LEU A 17 30.943 13.123 28.990 1.00 0.00 H new ATOM 0 HD22 LEU A 17 30.898 11.384 29.366 1.00 0.00 H new ATOM 0 HD23 LEU A 17 29.389 12.328 29.335 1.00 0.00 H new ATOM 218 N LYS A 18 30.759 13.968 33.831 1.00 0.00 N ATOM 219 CA LYS A 18 31.788 14.681 34.578 1.00 0.00 C ATOM 220 C LYS A 18 31.305 15.013 35.986 1.00 0.00 C ATOM 221 O LYS A 18 30.108 15.027 36.272 1.00 0.00 O ATOM 222 CB LYS A 18 32.180 15.966 33.846 1.00 0.00 C ATOM 223 CG LYS A 18 33.549 15.900 33.192 1.00 0.00 C ATOM 224 CD LYS A 18 34.370 17.143 33.488 1.00 0.00 C ATOM 225 CE LYS A 18 35.852 16.820 33.599 1.00 0.00 C ATOM 226 NZ LYS A 18 36.633 17.974 34.123 1.00 0.00 N ATOM 0 H LYS A 18 30.315 14.518 33.095 1.00 0.00 H new ATOM 0 HA LYS A 18 32.661 14.033 34.655 1.00 0.00 H new ATOM 0 HB2 LYS A 18 31.432 16.182 33.083 1.00 0.00 H new ATOM 0 HB3 LYS A 18 32.164 16.796 34.552 1.00 0.00 H new ATOM 0 HG2 LYS A 18 34.081 15.018 33.549 1.00 0.00 H new ATOM 0 HG3 LYS A 18 33.433 15.788 32.114 1.00 0.00 H new ATOM 0 HD2 LYS A 18 34.215 17.879 32.699 1.00 0.00 H new ATOM 0 HD3 LYS A 18 34.025 17.595 34.418 1.00 0.00 H new ATOM 0 HE2 LYS A 18 35.988 15.961 34.256 1.00 0.00 H new ATOM 0 HE3 LYS A 18 36.236 16.536 32.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 37.638 17.714 34.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 36.524 18.786 33.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 36.284 18.229 35.069 1.00 0.00 H new ATOM 311 N TYR A 25 36.693 17.869 44.595 1.00 0.00 N ATOM 312 CA TYR A 25 37.928 18.217 43.902 1.00 0.00 C ATOM 313 C TYR A 25 38.576 19.448 44.527 1.00 0.00 C ATOM 314 O TYR A 25 39.792 19.626 44.459 1.00 0.00 O ATOM 315 CB TYR A 25 37.652 18.469 42.419 1.00 0.00 C ATOM 316 CG TYR A 25 38.268 17.436 41.503 1.00 0.00 C ATOM 317 CD1 TYR A 25 39.645 17.363 41.334 1.00 0.00 C ATOM 318 CD2 TYR A 25 37.473 16.534 40.807 1.00 0.00 C ATOM 319 CE1 TYR A 25 40.213 16.421 40.498 1.00 0.00 C ATOM 320 CE2 TYR A 25 38.033 15.588 39.970 1.00 0.00 C ATOM 321 CZ TYR A 25 39.402 15.536 39.818 1.00 0.00 C ATOM 322 OH TYR A 25 39.964 14.595 38.985 1.00 0.00 O ATOM 0 HA TYR A 25 38.617 17.378 43.999 1.00 0.00 H new ATOM 0 HB2 TYR A 25 36.574 18.489 42.257 1.00 0.00 H new ATOM 0 HB3 TYR A 25 38.033 19.454 42.150 1.00 0.00 H new ATOM 0 HD1 TYR A 25 40.282 18.054 41.865 1.00 0.00 H new ATOM 0 HD2 TYR A 25 36.400 16.573 40.922 1.00 0.00 H new ATOM 0 HE1 TYR A 25 41.285 16.378 40.378 1.00 0.00 H new ATOM 0 HE2 TYR A 25 37.401 14.893 39.437 1.00 0.00 H new ATOM 0 HH TYR A 25 39.256 14.049 38.583 1.00 0.00 H new ATOM 331 N ALA A 26 37.754 20.295 45.137 1.00 0.00 N ATOM 332 CA ALA A 26 38.246 21.509 45.778 1.00 0.00 C ATOM 333 C ALA A 26 39.392 21.199 46.733 1.00 0.00 C ATOM 334 O ALA A 26 40.425 21.870 46.715 1.00 0.00 O ATOM 335 CB ALA A 26 37.115 22.211 46.516 1.00 0.00 C ATOM 0 H ALA A 26 36.745 20.163 45.201 1.00 0.00 H new ATOM 0 HA ALA A 26 38.625 22.173 45.001 1.00 0.00 H new ATOM 0 HB1 ALA A 26 37.496 23.116 46.990 1.00 0.00 H new ATOM 0 HB2 ALA A 26 36.328 22.475 45.809 1.00 0.00 H new ATOM 0 HB3 ALA A 26 36.709 21.545 47.278 1.00 0.00 H new ATOM 341 N GLU A 27 39.204 20.181 47.567 1.00 0.00 N ATOM 342 CA GLU A 27 40.223 19.784 48.531 1.00 0.00 C ATOM 343 C GLU A 27 41.334 18.989 47.852 1.00 0.00 C ATOM 344 O GLU A 27 42.509 19.134 48.189 1.00 0.00 O ATOM 345 CB GLU A 27 39.599 18.955 49.655 1.00 0.00 C ATOM 346 CG GLU A 27 40.035 19.387 51.045 1.00 0.00 C ATOM 347 CD GLU A 27 39.808 18.310 52.088 1.00 0.00 C ATOM 348 OE1 GLU A 27 39.179 17.284 51.754 1.00 0.00 O ATOM 349 OE2 GLU A 27 40.259 18.493 53.238 1.00 0.00 O ATOM 0 H GLU A 27 38.355 19.616 47.594 1.00 0.00 H new ATOM 0 HA GLU A 27 40.656 20.689 48.956 1.00 0.00 H new ATOM 0 HB2 GLU A 27 38.513 19.024 49.586 1.00 0.00 H new ATOM 0 HB3 GLU A 27 39.861 17.907 49.511 1.00 0.00 H new ATOM 0 HG2 GLU A 27 41.092 19.651 51.025 1.00 0.00 H new ATOM 0 HG3 GLU A 27 39.488 20.285 51.331 1.00 0.00 H new ATOM 354 N GLN A 28 40.952 18.148 46.896 1.00 0.00 N ATOM 355 CA GLN A 28 41.915 17.328 46.170 1.00 0.00 C ATOM 356 C GLN A 28 43.011 18.192 45.554 1.00 0.00 C ATOM 357 O GLN A 28 44.198 17.935 45.743 1.00 0.00 O ATOM 358 CB GLN A 28 41.210 16.521 45.079 1.00 0.00 C ATOM 359 CG GLN A 28 40.070 15.661 45.599 1.00 0.00 C ATOM 360 CD GLN A 28 39.623 14.617 44.594 1.00 0.00 C ATOM 361 OE1 GLN A 28 40.423 14.112 43.808 1.00 0.00 O ATOM 362 NE2 GLN A 28 38.336 14.287 44.617 1.00 0.00 N ATOM 0 H GLN A 28 39.983 18.017 46.606 1.00 0.00 H new ATOM 0 HA GLN A 28 42.376 16.640 46.879 1.00 0.00 H new ATOM 0 HB2 GLN A 28 40.822 17.206 44.325 1.00 0.00 H new ATOM 0 HB3 GLN A 28 41.940 15.881 44.583 1.00 0.00 H new ATOM 0 HG2 GLN A 28 40.383 15.165 46.518 1.00 0.00 H new ATOM 0 HG3 GLN A 28 39.225 16.300 45.854 1.00 0.00 H new ATOM 0 HE21 GLN A 28 37.707 14.731 45.286 1.00 0.00 H new ATOM 0 HE22 GLN A 28 37.977 13.589 43.965 1.00 0.00 H new ATOM 369 N GLY A 29 42.602 19.219 44.814 1.00 0.00 N ATOM 370 CA GLY A 29 43.561 20.104 44.181 1.00 0.00 C ATOM 371 C GLY A 29 44.454 20.806 45.185 1.00 0.00 C ATOM 372 O GLY A 29 45.680 20.759 45.076 1.00 0.00 O ATOM 0 H GLY A 29 41.624 19.453 44.642 1.00 0.00 H new ATOM 0 HA2 GLY A 29 44.178 19.531 43.489 1.00 0.00 H new ATOM 0 HA3 GLY A 29 43.028 20.849 43.590 1.00 0.00 H new ATOM 376 N LYS A 30 43.840 21.459 46.166 1.00 0.00 N ATOM 377 CA LYS A 30 44.588 22.173 47.194 1.00 0.00 C ATOM 378 C LYS A 30 45.668 21.283 47.800 1.00 0.00 C ATOM 379 O LYS A 30 46.843 21.647 47.823 1.00 0.00 O ATOM 380 CB LYS A 30 43.642 22.665 48.292 1.00 0.00 C ATOM 381 CG LYS A 30 42.569 23.616 47.790 1.00 0.00 C ATOM 382 CD LYS A 30 41.391 23.682 48.747 1.00 0.00 C ATOM 383 CE LYS A 30 41.442 24.935 49.609 1.00 0.00 C ATOM 384 NZ LYS A 30 40.081 25.456 49.912 1.00 0.00 N ATOM 0 H LYS A 30 42.827 21.508 46.271 1.00 0.00 H new ATOM 0 HA LYS A 30 45.071 23.031 46.726 1.00 0.00 H new ATOM 0 HB2 LYS A 30 43.163 21.805 48.760 1.00 0.00 H new ATOM 0 HB3 LYS A 30 44.225 23.165 49.065 1.00 0.00 H new ATOM 0 HG2 LYS A 30 42.994 24.612 47.665 1.00 0.00 H new ATOM 0 HG3 LYS A 30 42.224 23.291 46.808 1.00 0.00 H new ATOM 0 HD2 LYS A 30 40.460 23.666 48.181 1.00 0.00 H new ATOM 0 HD3 LYS A 30 41.390 22.799 49.386 1.00 0.00 H new ATOM 0 HE2 LYS A 30 41.962 24.713 50.541 1.00 0.00 H new ATOM 0 HE3 LYS A 30 42.020 25.705 49.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 40.159 26.310 50.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 39.594 25.692 49.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 39.538 24.731 50.423 1.00 0.00 H new ATOM 394 N GLU A 31 45.261 20.116 48.288 1.00 0.00 N ATOM 395 CA GLU A 31 46.196 19.174 48.892 1.00 0.00 C ATOM 396 C GLU A 31 47.294 18.788 47.907 1.00 0.00 C ATOM 397 O GLU A 31 48.432 18.526 48.298 1.00 0.00 O ATOM 398 CB GLU A 31 45.457 17.920 49.366 1.00 0.00 C ATOM 399 CG GLU A 31 44.478 18.182 50.499 1.00 0.00 C ATOM 400 CD GLU A 31 44.769 17.341 51.727 1.00 0.00 C ATOM 401 OE1 GLU A 31 44.421 16.142 51.719 1.00 0.00 O ATOM 402 OE2 GLU A 31 45.343 17.881 52.694 1.00 0.00 O ATOM 0 H GLU A 31 44.291 19.800 48.277 1.00 0.00 H new ATOM 0 HA GLU A 31 46.658 19.662 49.750 1.00 0.00 H new ATOM 0 HB2 GLU A 31 44.918 17.486 48.524 1.00 0.00 H new ATOM 0 HB3 GLU A 31 46.187 17.180 49.692 1.00 0.00 H new ATOM 0 HG2 GLU A 31 44.514 19.237 50.769 1.00 0.00 H new ATOM 0 HG3 GLU A 31 43.465 17.976 50.154 1.00 0.00 H new ATOM 407 N TYR A 32 46.945 18.756 46.625 1.00 0.00 N ATOM 408 CA TYR A 32 47.901 18.399 45.582 1.00 0.00 C ATOM 409 C TYR A 32 49.105 19.334 45.604 1.00 0.00 C ATOM 410 O TYR A 32 50.253 18.885 45.618 1.00 0.00 O ATOM 411 CB TYR A 32 47.229 18.447 44.208 1.00 0.00 C ATOM 412 CG TYR A 32 48.066 17.845 43.104 1.00 0.00 C ATOM 413 CD1 TYR A 32 49.059 18.586 42.475 1.00 0.00 C ATOM 414 CD2 TYR A 32 47.864 16.535 42.686 1.00 0.00 C ATOM 415 CE1 TYR A 32 49.827 18.041 41.464 1.00 0.00 C ATOM 416 CE2 TYR A 32 48.628 15.981 41.677 1.00 0.00 C ATOM 417 CZ TYR A 32 49.608 16.737 41.069 1.00 0.00 C ATOM 418 OH TYR A 32 50.369 16.190 40.062 1.00 0.00 O ATOM 0 H TYR A 32 46.009 18.973 46.283 1.00 0.00 H new ATOM 0 HA TYR A 32 48.249 17.384 45.774 1.00 0.00 H new ATOM 0 HB2 TYR A 32 46.277 17.919 44.260 1.00 0.00 H new ATOM 0 HB3 TYR A 32 47.005 19.484 43.958 1.00 0.00 H new ATOM 0 HD1 TYR A 32 49.234 19.607 42.782 1.00 0.00 H new ATOM 0 HD2 TYR A 32 47.096 15.940 43.158 1.00 0.00 H new ATOM 0 HE1 TYR A 32 50.594 18.632 40.986 1.00 0.00 H new ATOM 0 HE2 TYR A 32 48.459 14.961 41.366 1.00 0.00 H new ATOM 0 HH TYR A 32 50.089 15.264 39.906 1.00 0.00 H new ATOM 427 N ILE A 33 48.836 20.635 45.608 1.00 0.00 N ATOM 428 CA ILE A 33 49.899 21.634 45.630 1.00 0.00 C ATOM 429 C ILE A 33 50.714 21.540 46.914 1.00 0.00 C ATOM 430 O ILE A 33 51.944 21.479 46.880 1.00 0.00 O ATOM 431 CB ILE A 33 49.333 23.060 45.497 1.00 0.00 C ATOM 432 CG1 ILE A 33 48.286 23.115 44.383 1.00 0.00 C ATOM 433 CG2 ILE A 33 50.454 24.052 45.227 1.00 0.00 C ATOM 434 CD1 ILE A 33 46.872 23.303 44.890 1.00 0.00 C ATOM 0 H ILE A 33 47.893 21.022 45.596 1.00 0.00 H new ATOM 0 HA ILE A 33 50.545 21.427 44.777 1.00 0.00 H new ATOM 0 HB ILE A 33 48.851 23.333 46.436 1.00 0.00 H new ATOM 0 HG12 ILE A 33 48.532 23.932 43.705 1.00 0.00 H new ATOM 0 HG13 ILE A 33 48.336 22.193 43.803 1.00 0.00 H new ATOM 0 HG21 ILE A 33 50.038 25.055 45.136 1.00 0.00 H new ATOM 0 HG22 ILE A 33 51.167 24.029 46.051 1.00 0.00 H new ATOM 0 HG23 ILE A 33 50.962 23.784 44.300 1.00 0.00 H new ATOM 0 HD11 ILE A 33 46.184 23.333 44.045 1.00 0.00 H new ATOM 0 HD12 ILE A 33 46.607 22.473 45.545 1.00 0.00 H new ATOM 0 HD13 ILE A 33 46.806 24.239 45.445 1.00 0.00 H new ATOM 445 N THR A 34 50.023 21.527 48.049 1.00 0.00 N ATOM 446 CA THR A 34 50.682 21.439 49.347 1.00 0.00 C ATOM 447 C THR A 34 51.641 20.256 49.396 1.00 0.00 C ATOM 448 O THR A 34 52.679 20.313 50.058 1.00 0.00 O ATOM 449 CB THR A 34 49.658 21.304 50.489 1.00 0.00 C ATOM 450 OG1 THR A 34 49.814 22.383 51.417 1.00 0.00 O ATOM 451 CG2 THR A 34 49.828 19.977 51.214 1.00 0.00 C ATOM 0 H THR A 34 49.005 21.576 48.096 1.00 0.00 H new ATOM 0 HA THR A 34 51.243 22.364 49.481 1.00 0.00 H new ATOM 0 HB THR A 34 48.658 21.339 50.057 1.00 0.00 H new ATOM 0 HG1 THR A 34 49.158 22.291 52.139 1.00 0.00 H new ATOM 0 HG21 THR A 34 49.094 19.904 52.016 1.00 0.00 H new ATOM 0 HG22 THR A 34 49.680 19.157 50.511 1.00 0.00 H new ATOM 0 HG23 THR A 34 50.832 19.918 51.634 1.00 0.00 H new ATOM 459 N ASP A 35 51.291 19.186 48.692 1.00 0.00 N ATOM 460 CA ASP A 35 52.123 17.989 48.656 1.00 0.00 C ATOM 461 C ASP A 35 53.385 18.230 47.835 1.00 0.00 C ATOM 462 O ASP A 35 54.440 17.661 48.116 1.00 0.00 O ATOM 463 CB ASP A 35 51.337 16.813 48.072 1.00 0.00 C ATOM 464 CG ASP A 35 51.525 15.538 48.870 1.00 0.00 C ATOM 465 OD1 ASP A 35 52.569 15.408 49.544 1.00 0.00 O ATOM 466 OD2 ASP A 35 50.630 14.669 48.820 1.00 0.00 O ATOM 0 H ASP A 35 50.437 19.123 48.138 1.00 0.00 H new ATOM 0 HA ASP A 35 52.416 17.749 49.678 1.00 0.00 H new ATOM 0 HB2 ASP A 35 50.277 17.067 48.043 1.00 0.00 H new ATOM 0 HB3 ASP A 35 51.653 16.644 47.043 1.00 0.00 H new ATOM 470 N LYS A 36 53.271 19.077 46.818 1.00 0.00 N ATOM 471 CA LYS A 36 54.403 19.395 45.955 1.00 0.00 C ATOM 472 C LYS A 36 55.405 20.289 46.680 1.00 0.00 C ATOM 473 O LYS A 36 56.615 20.073 46.600 1.00 0.00 O ATOM 474 CB LYS A 36 53.920 20.084 44.677 1.00 0.00 C ATOM 475 CG LYS A 36 53.040 19.203 43.806 1.00 0.00 C ATOM 476 CD LYS A 36 53.832 18.573 42.673 1.00 0.00 C ATOM 477 CE LYS A 36 53.151 18.792 41.330 1.00 0.00 C ATOM 478 NZ LYS A 36 54.136 18.864 40.215 1.00 0.00 N ATOM 0 H LYS A 36 52.405 19.556 46.571 1.00 0.00 H new ATOM 0 HA LYS A 36 54.900 18.461 45.691 1.00 0.00 H new ATOM 0 HB2 LYS A 36 53.366 20.983 44.946 1.00 0.00 H new ATOM 0 HB3 LYS A 36 54.786 20.404 44.097 1.00 0.00 H new ATOM 0 HG2 LYS A 36 52.590 18.420 44.416 1.00 0.00 H new ATOM 0 HG3 LYS A 36 52.223 19.796 43.395 1.00 0.00 H new ATOM 0 HD2 LYS A 36 54.835 18.999 42.648 1.00 0.00 H new ATOM 0 HD3 LYS A 36 53.944 17.504 42.856 1.00 0.00 H new ATOM 0 HE2 LYS A 36 52.448 17.980 41.142 1.00 0.00 H new ATOM 0 HE3 LYS A 36 52.571 19.714 41.363 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 53.653 19.164 39.344 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 54.880 19.551 40.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 54.564 17.927 40.069 1.00 0.00 H new ATOM 488 N ALA A 37 54.894 21.292 47.386 1.00 0.00 N ATOM 489 CA ALA A 37 55.744 22.215 48.126 1.00 0.00 C ATOM 490 C ALA A 37 56.591 21.476 49.157 1.00 0.00 C ATOM 491 O ALA A 37 57.656 21.949 49.553 1.00 0.00 O ATOM 492 CB ALA A 37 54.899 23.283 48.805 1.00 0.00 C ATOM 0 H ALA A 37 53.895 21.486 47.461 1.00 0.00 H new ATOM 0 HA ALA A 37 56.418 22.696 47.417 1.00 0.00 H new ATOM 0 HB1 ALA A 37 55.548 23.965 49.354 1.00 0.00 H new ATOM 0 HB2 ALA A 37 54.342 23.839 48.051 1.00 0.00 H new ATOM 0 HB3 ALA A 37 54.202 22.810 49.496 1.00 0.00 H new ATOM 498 N ASP A 38 56.111 20.315 49.586 1.00 0.00 N ATOM 499 CA ASP A 38 56.824 19.509 50.571 1.00 0.00 C ATOM 500 C ASP A 38 57.961 18.731 49.916 1.00 0.00 C ATOM 501 O ASP A 38 59.059 18.634 50.464 1.00 0.00 O ATOM 502 CB ASP A 38 55.862 18.543 51.265 1.00 0.00 C ATOM 503 CG ASP A 38 56.103 18.462 52.760 1.00 0.00 C ATOM 504 OD1 ASP A 38 55.553 19.309 53.495 1.00 0.00 O ATOM 505 OD2 ASP A 38 56.840 17.552 53.194 1.00 0.00 O ATOM 0 H ASP A 38 55.231 19.910 49.267 1.00 0.00 H new ATOM 0 HA ASP A 38 57.250 20.182 51.315 1.00 0.00 H new ATOM 0 HB2 ASP A 38 54.836 18.862 51.082 1.00 0.00 H new ATOM 0 HB3 ASP A 38 55.970 17.550 50.828 1.00 0.00 H new ATOM 509 N LYS A 39 57.690 18.177 48.739 1.00 0.00 N ATOM 510 CA LYS A 39 58.690 17.408 48.007 1.00 0.00 C ATOM 511 C LYS A 39 59.816 18.310 47.511 1.00 0.00 C ATOM 512 O LYS A 39 60.992 18.038 47.749 1.00 0.00 O ATOM 513 CB LYS A 39 58.042 16.686 46.824 1.00 0.00 C ATOM 514 CG LYS A 39 57.727 15.226 47.101 1.00 0.00 C ATOM 515 CD LYS A 39 58.493 14.302 46.169 1.00 0.00 C ATOM 516 CE LYS A 39 58.577 12.890 46.728 1.00 0.00 C ATOM 517 NZ LYS A 39 57.237 12.250 46.822 1.00 0.00 N ATOM 0 H LYS A 39 56.786 18.246 48.271 1.00 0.00 H new ATOM 0 HA LYS A 39 59.114 16.670 48.688 1.00 0.00 H new ATOM 0 HB2 LYS A 39 57.121 17.203 46.554 1.00 0.00 H new ATOM 0 HB3 LYS A 39 58.707 16.748 45.963 1.00 0.00 H new ATOM 0 HG2 LYS A 39 57.977 14.989 48.135 1.00 0.00 H new ATOM 0 HG3 LYS A 39 56.657 15.056 46.984 1.00 0.00 H new ATOM 0 HD2 LYS A 39 58.005 14.280 45.195 1.00 0.00 H new ATOM 0 HD3 LYS A 39 59.498 14.693 46.013 1.00 0.00 H new ATOM 0 HE2 LYS A 39 59.224 12.286 46.092 1.00 0.00 H new ATOM 0 HE3 LYS A 39 59.036 12.917 47.716 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 57.335 11.221 46.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 56.819 12.454 47.752 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 56.619 12.627 46.075 1.00 0.00 H new ATOM 527 N VAL A 40 59.446 19.384 46.822 1.00 0.00 N ATOM 528 CA VAL A 40 60.424 20.328 46.294 1.00 0.00 C ATOM 529 C VAL A 40 61.319 20.870 47.404 1.00 0.00 C ATOM 530 O VAL A 40 62.514 21.085 47.202 1.00 0.00 O ATOM 531 CB VAL A 40 59.738 21.508 45.581 1.00 0.00 C ATOM 532 CG1 VAL A 40 58.791 22.227 46.529 1.00 0.00 C ATOM 533 CG2 VAL A 40 60.777 22.469 45.021 1.00 0.00 C ATOM 0 H VAL A 40 58.476 19.623 46.616 1.00 0.00 H new ATOM 0 HA VAL A 40 61.033 19.783 45.573 1.00 0.00 H new ATOM 0 HB VAL A 40 59.153 21.117 44.749 1.00 0.00 H new ATOM 0 HG11 VAL A 40 58.316 23.058 46.008 1.00 0.00 H new ATOM 0 HG12 VAL A 40 58.027 21.532 46.877 1.00 0.00 H new ATOM 0 HG13 VAL A 40 59.351 22.608 47.383 1.00 0.00 H new ATOM 0 HG21 VAL A 40 60.275 23.297 44.521 1.00 0.00 H new ATOM 0 HG22 VAL A 40 61.391 22.856 45.835 1.00 0.00 H new ATOM 0 HG23 VAL A 40 61.411 21.944 44.306 1.00 0.00 H new ATOM 543 N ALA A 41 60.732 21.088 48.575 1.00 0.00 N ATOM 544 CA ALA A 41 61.477 21.602 49.719 1.00 0.00 C ATOM 545 C ALA A 41 62.326 20.508 50.358 1.00 0.00 C ATOM 546 O ALA A 41 63.525 20.685 50.568 1.00 0.00 O ATOM 547 CB ALA A 41 60.524 22.199 50.743 1.00 0.00 C ATOM 0 H ALA A 41 59.743 20.917 48.758 1.00 0.00 H new ATOM 0 HA ALA A 41 62.148 22.384 49.363 1.00 0.00 H new ATOM 0 HB1 ALA A 41 61.093 22.579 51.592 1.00 0.00 H new ATOM 0 HB2 ALA A 41 59.964 23.016 50.287 1.00 0.00 H new ATOM 0 HB3 ALA A 41 59.831 21.431 51.086 1.00 0.00 H new ATOM 553 N GLY A 42 61.696 19.378 50.663 1.00 0.00 N ATOM 554 CA GLY A 42 62.411 18.273 51.275 1.00 0.00 C ATOM 555 C GLY A 42 63.544 17.763 50.407 1.00 0.00 C ATOM 556 O GLY A 42 64.582 17.338 50.914 1.00 0.00 O ATOM 0 H GLY A 42 60.704 19.208 50.497 1.00 0.00 H new ATOM 0 HA2 GLY A 42 62.810 18.592 52.238 1.00 0.00 H new ATOM 0 HA3 GLY A 42 61.714 17.459 51.473 1.00 0.00 H new ATOM 560 N LYS A 43 63.344 17.802 49.094 1.00 0.00 N ATOM 561 CA LYS A 43 64.356 17.339 48.152 1.00 0.00 C ATOM 562 C LYS A 43 65.644 18.145 48.297 1.00 0.00 C ATOM 563 O LYS A 43 66.716 17.700 47.889 1.00 0.00 O ATOM 564 CB LYS A 43 63.834 17.447 46.717 1.00 0.00 C ATOM 565 CG LYS A 43 63.345 16.127 46.148 1.00 0.00 C ATOM 566 CD LYS A 43 64.461 15.100 46.078 1.00 0.00 C ATOM 567 CE LYS A 43 64.731 14.666 44.646 1.00 0.00 C ATOM 568 NZ LYS A 43 66.115 14.142 44.476 1.00 0.00 N ATOM 0 H LYS A 43 62.490 18.150 48.658 1.00 0.00 H new ATOM 0 HA LYS A 43 64.574 16.295 48.376 1.00 0.00 H new ATOM 0 HB2 LYS A 43 63.018 18.170 46.689 1.00 0.00 H new ATOM 0 HB3 LYS A 43 64.627 17.837 46.079 1.00 0.00 H new ATOM 0 HG2 LYS A 43 62.534 15.742 46.766 1.00 0.00 H new ATOM 0 HG3 LYS A 43 62.936 16.289 45.151 1.00 0.00 H new ATOM 0 HD2 LYS A 43 65.370 15.519 46.510 1.00 0.00 H new ATOM 0 HD3 LYS A 43 64.195 14.230 46.679 1.00 0.00 H new ATOM 0 HE2 LYS A 43 64.014 13.897 44.358 1.00 0.00 H new ATOM 0 HE3 LYS A 43 64.578 15.512 43.975 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 66.259 13.857 43.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 66.800 14.883 44.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 66.253 13.319 45.097 1.00 0.00 H new ATOM 675 N GLY A 51 66.265 12.063 53.828 1.00 0.00 N ATOM 676 CA GLY A 51 65.097 11.398 53.280 1.00 0.00 C ATOM 677 C GLY A 51 65.418 10.600 52.032 1.00 0.00 C ATOM 678 O GLY A 51 65.617 11.168 50.958 1.00 0.00 O ATOM 0 HA2 GLY A 51 64.674 10.734 54.034 1.00 0.00 H new ATOM 0 HA3 GLY A 51 64.335 12.142 53.046 1.00 0.00 H new ATOM 682 N VAL A 52 65.469 9.280 52.172 1.00 0.00 N ATOM 683 CA VAL A 52 65.767 8.402 51.047 1.00 0.00 C ATOM 684 C VAL A 52 64.499 8.031 50.287 1.00 0.00 C ATOM 685 O VAL A 52 64.546 7.694 49.104 1.00 0.00 O ATOM 686 CB VAL A 52 66.469 7.112 51.512 1.00 0.00 C ATOM 687 CG1 VAL A 52 66.950 6.305 50.316 1.00 0.00 C ATOM 688 CG2 VAL A 52 67.626 7.441 52.442 1.00 0.00 C ATOM 0 H VAL A 52 65.308 8.794 53.054 1.00 0.00 H new ATOM 0 HA VAL A 52 66.435 8.953 50.385 1.00 0.00 H new ATOM 0 HB VAL A 52 65.750 6.507 52.064 1.00 0.00 H new ATOM 0 HG11 VAL A 52 67.443 5.397 50.664 1.00 0.00 H new ATOM 0 HG12 VAL A 52 66.098 6.038 49.691 1.00 0.00 H new ATOM 0 HG13 VAL A 52 67.654 6.900 49.735 1.00 0.00 H new ATOM 0 HG21 VAL A 52 68.110 6.518 52.761 1.00 0.00 H new ATOM 0 HG22 VAL A 52 68.348 8.067 51.917 1.00 0.00 H new ATOM 0 HG23 VAL A 52 67.250 7.974 53.315 1.00 0.00 H new ATOM 698 N PHE A 53 63.363 8.097 50.974 1.00 0.00 N ATOM 699 CA PHE A 53 62.080 7.768 50.365 1.00 0.00 C ATOM 700 C PHE A 53 61.606 8.896 49.452 1.00 0.00 C ATOM 701 O PHE A 53 60.936 8.656 48.449 1.00 0.00 O ATOM 702 CB PHE A 53 61.032 7.497 51.446 1.00 0.00 C ATOM 703 CG PHE A 53 60.578 6.066 51.495 1.00 0.00 C ATOM 704 CD1 PHE A 53 61.491 5.043 51.697 1.00 0.00 C ATOM 705 CD2 PHE A 53 59.240 5.743 51.342 1.00 0.00 C ATOM 706 CE1 PHE A 53 61.076 3.725 51.742 1.00 0.00 C ATOM 707 CE2 PHE A 53 58.819 4.428 51.387 1.00 0.00 C ATOM 708 CZ PHE A 53 59.738 3.417 51.589 1.00 0.00 C ATOM 0 H PHE A 53 63.305 8.376 51.954 1.00 0.00 H new ATOM 0 HA PHE A 53 62.212 6.868 49.764 1.00 0.00 H new ATOM 0 HB2 PHE A 53 61.443 7.773 52.417 1.00 0.00 H new ATOM 0 HB3 PHE A 53 60.168 8.138 51.272 1.00 0.00 H new ATOM 0 HD1 PHE A 53 62.538 5.278 51.821 1.00 0.00 H new ATOM 0 HD2 PHE A 53 58.516 6.529 51.185 1.00 0.00 H new ATOM 0 HE1 PHE A 53 61.798 2.936 51.897 1.00 0.00 H new ATOM 0 HE2 PHE A 53 57.773 4.191 51.264 1.00 0.00 H new ATOM 0 HZ PHE A 53 59.411 2.388 51.627 1.00 0.00 H new ATOM 717 N GLN A 54 61.958 10.126 49.811 1.00 0.00 N ATOM 718 CA GLN A 54 61.569 11.291 49.025 1.00 0.00 C ATOM 719 C GLN A 54 62.073 11.174 47.590 1.00 0.00 C ATOM 720 O GLN A 54 61.506 11.766 46.673 1.00 0.00 O ATOM 721 CB GLN A 54 62.111 12.570 49.667 1.00 0.00 C ATOM 722 CG GLN A 54 61.043 13.409 50.348 1.00 0.00 C ATOM 723 CD GLN A 54 60.793 14.725 49.638 1.00 0.00 C ATOM 724 OE1 GLN A 54 60.696 15.776 50.272 1.00 0.00 O ATOM 725 NE2 GLN A 54 60.689 14.674 48.316 1.00 0.00 N ATOM 0 H GLN A 54 62.511 10.342 50.640 1.00 0.00 H new ATOM 0 HA GLN A 54 60.480 11.337 49.005 1.00 0.00 H new ATOM 0 HB2 GLN A 54 62.874 12.304 50.399 1.00 0.00 H new ATOM 0 HB3 GLN A 54 62.600 13.172 48.901 1.00 0.00 H new ATOM 0 HG2 GLN A 54 60.113 12.842 50.391 1.00 0.00 H new ATOM 0 HG3 GLN A 54 61.343 13.607 51.377 1.00 0.00 H new ATOM 0 HE21 GLN A 54 60.776 13.781 47.832 1.00 0.00 H new ATOM 0 HE22 GLN A 54 60.522 15.528 47.784 1.00 0.00 H new ATOM 732 N GLY A 55 63.143 10.408 47.405 1.00 0.00 N ATOM 733 CA GLY A 55 63.706 10.228 46.079 1.00 0.00 C ATOM 734 C GLY A 55 63.001 9.140 45.293 1.00 0.00 C ATOM 735 O GLY A 55 62.466 9.392 44.213 1.00 0.00 O ATOM 0 H GLY A 55 63.630 9.909 48.149 1.00 0.00 H new ATOM 0 HA2 GLY A 55 63.643 11.168 45.530 1.00 0.00 H new ATOM 0 HA3 GLY A 55 64.764 9.981 46.167 1.00 0.00 H new ATOM 739 N VAL A 56 63.001 7.926 45.834 1.00 0.00 N ATOM 740 CA VAL A 56 62.358 6.795 45.176 1.00 0.00 C ATOM 741 C VAL A 56 60.867 7.048 44.982 1.00 0.00 C ATOM 742 O VAL A 56 60.242 6.483 44.083 1.00 0.00 O ATOM 743 CB VAL A 56 62.547 5.496 45.980 1.00 0.00 C ATOM 744 CG1 VAL A 56 62.044 5.671 47.405 1.00 0.00 C ATOM 745 CG2 VAL A 56 61.839 4.337 45.294 1.00 0.00 C ATOM 0 H VAL A 56 63.439 7.700 46.727 1.00 0.00 H new ATOM 0 HA VAL A 56 62.834 6.682 44.202 1.00 0.00 H new ATOM 0 HB VAL A 56 63.612 5.267 46.022 1.00 0.00 H new ATOM 0 HG11 VAL A 56 62.186 4.742 47.958 1.00 0.00 H new ATOM 0 HG12 VAL A 56 62.601 6.472 47.892 1.00 0.00 H new ATOM 0 HG13 VAL A 56 60.984 5.925 47.388 1.00 0.00 H new ATOM 0 HG21 VAL A 56 61.983 3.427 45.876 1.00 0.00 H new ATOM 0 HG22 VAL A 56 60.774 4.555 45.219 1.00 0.00 H new ATOM 0 HG23 VAL A 56 62.252 4.198 44.295 1.00 0.00 H new ATOM 755 N HIS A 57 60.302 7.901 45.830 1.00 0.00 N ATOM 756 CA HIS A 57 58.884 8.231 45.752 1.00 0.00 C ATOM 757 C HIS A 57 58.641 9.356 44.750 1.00 0.00 C ATOM 758 O HIS A 57 57.553 9.476 44.188 1.00 0.00 O ATOM 759 CB HIS A 57 58.355 8.634 47.129 1.00 0.00 C ATOM 760 CG HIS A 57 56.863 8.566 47.241 1.00 0.00 C ATOM 761 ND1 HIS A 57 56.074 7.852 46.364 1.00 0.00 N ATOM 762 CD2 HIS A 57 56.017 9.127 48.136 1.00 0.00 C ATOM 763 CE1 HIS A 57 54.806 7.977 46.714 1.00 0.00 C ATOM 764 NE2 HIS A 57 54.744 8.746 47.787 1.00 0.00 N ATOM 0 H HIS A 57 60.805 8.376 46.579 1.00 0.00 H new ATOM 0 HA HIS A 57 58.349 7.344 45.412 1.00 0.00 H new ATOM 0 HB2 HIS A 57 58.798 7.984 47.884 1.00 0.00 H new ATOM 0 HB3 HIS A 57 58.682 9.650 47.352 1.00 0.00 H new ATOM 0 HD2 HIS A 57 56.291 9.757 48.969 1.00 0.00 H new ATOM 0 HE1 HIS A 57 53.964 7.527 46.209 1.00 0.00 H new ATOM 0 HE2 HIS A 57 53.890 9.013 48.276 1.00 0.00 H new ATOM 771 N ASP A 58 59.662 10.178 44.534 1.00 0.00 N ATOM 772 CA ASP A 58 59.561 11.294 43.601 1.00 0.00 C ATOM 773 C ASP A 58 59.147 10.807 42.215 1.00 0.00 C ATOM 774 O ASP A 58 58.566 11.558 41.430 1.00 0.00 O ATOM 775 CB ASP A 58 60.894 12.039 43.516 1.00 0.00 C ATOM 776 CG ASP A 58 60.848 13.197 42.538 1.00 0.00 C ATOM 777 OD1 ASP A 58 59.799 13.870 42.463 1.00 0.00 O ATOM 778 OD2 ASP A 58 61.863 13.431 41.850 1.00 0.00 O ATOM 0 H ASP A 58 60.569 10.092 44.992 1.00 0.00 H new ATOM 0 HA ASP A 58 58.796 11.977 43.971 1.00 0.00 H new ATOM 0 HB2 ASP A 58 61.162 12.412 44.504 1.00 0.00 H new ATOM 0 HB3 ASP A 58 61.677 11.343 43.215 1.00 0.00 H new ATOM 782 N SER A 59 59.450 9.547 41.921 1.00 0.00 N ATOM 783 CA SER A 59 59.114 8.961 40.628 1.00 0.00 C ATOM 784 C SER A 59 57.607 8.998 40.390 1.00 0.00 C ATOM 785 O SER A 59 57.149 9.021 39.249 1.00 0.00 O ATOM 786 CB SER A 59 59.620 7.520 40.550 1.00 0.00 C ATOM 787 OG SER A 59 60.840 7.369 41.256 1.00 0.00 O ATOM 0 H SER A 59 59.928 8.912 42.560 1.00 0.00 H new ATOM 0 HA SER A 59 59.601 9.551 39.852 1.00 0.00 H new ATOM 0 HB2 SER A 59 58.871 6.845 40.964 1.00 0.00 H new ATOM 0 HB3 SER A 59 59.762 7.237 39.507 1.00 0.00 H new ATOM 0 HG SER A 59 60.653 7.083 42.175 1.00 0.00 H new ATOM 792 N ALA A 60 56.843 9.002 41.478 1.00 0.00 N ATOM 793 CA ALA A 60 55.389 9.038 41.389 1.00 0.00 C ATOM 794 C ALA A 60 54.903 10.381 40.855 1.00 0.00 C ATOM 795 O ALA A 60 53.815 10.477 40.290 1.00 0.00 O ATOM 796 CB ALA A 60 54.770 8.753 42.749 1.00 0.00 C ATOM 0 H ALA A 60 57.207 8.981 42.431 1.00 0.00 H new ATOM 0 HA ALA A 60 55.074 8.264 40.689 1.00 0.00 H new ATOM 0 HB1 ALA A 60 53.683 8.783 42.668 1.00 0.00 H new ATOM 0 HB2 ALA A 60 55.081 7.766 43.091 1.00 0.00 H new ATOM 0 HB3 ALA A 60 55.101 9.506 43.464 1.00 0.00 H new ATOM 802 N GLU A 61 55.718 11.415 41.039 1.00 0.00 N ATOM 803 CA GLU A 61 55.370 12.753 40.577 1.00 0.00 C ATOM 804 C GLU A 61 54.973 12.734 39.104 1.00 0.00 C ATOM 805 O GLU A 61 54.160 13.543 38.657 1.00 0.00 O ATOM 806 CB GLU A 61 56.544 13.711 40.787 1.00 0.00 C ATOM 807 CG GLU A 61 56.133 15.172 40.858 1.00 0.00 C ATOM 808 CD GLU A 61 56.645 15.980 39.681 1.00 0.00 C ATOM 809 OE1 GLU A 61 57.863 15.921 39.407 1.00 0.00 O ATOM 810 OE2 GLU A 61 55.831 16.672 39.036 1.00 0.00 O ATOM 0 H GLU A 61 56.623 11.351 41.505 1.00 0.00 H new ATOM 0 HA GLU A 61 54.518 13.100 41.161 1.00 0.00 H new ATOM 0 HB2 GLU A 61 57.061 13.443 41.709 1.00 0.00 H new ATOM 0 HB3 GLU A 61 57.257 13.582 39.973 1.00 0.00 H new ATOM 0 HG2 GLU A 61 55.046 15.238 40.894 1.00 0.00 H new ATOM 0 HG3 GLU A 61 56.510 15.607 41.784 1.00 0.00 H new ATOM 1021 N ARG A 79 20.657 7.296 19.341 1.00 0.00 N ATOM 1022 CA ARG A 79 19.968 6.514 18.321 1.00 0.00 C ATOM 1023 C ARG A 79 19.029 5.495 18.959 1.00 0.00 C ATOM 1024 O ARG A 79 18.035 5.091 18.356 1.00 0.00 O ATOM 1025 CB ARG A 79 20.982 5.800 17.425 1.00 0.00 C ATOM 1026 CG ARG A 79 21.342 6.580 16.170 1.00 0.00 C ATOM 1027 CD ARG A 79 20.707 5.967 14.933 1.00 0.00 C ATOM 1028 NE ARG A 79 21.233 6.550 13.701 1.00 0.00 N ATOM 1029 CZ ARG A 79 20.980 6.065 12.491 1.00 0.00 C ATOM 1030 NH1 ARG A 79 20.213 4.993 12.351 1.00 0.00 N ATOM 1031 NH2 ARG A 79 21.496 6.651 11.419 1.00 0.00 N ATOM 0 HA ARG A 79 19.375 7.197 17.713 1.00 0.00 H new ATOM 0 HB2 ARG A 79 21.890 5.610 17.998 1.00 0.00 H new ATOM 0 HB3 ARG A 79 20.579 4.829 17.136 1.00 0.00 H new ATOM 0 HG2 ARG A 79 21.012 7.614 16.275 1.00 0.00 H new ATOM 0 HG3 ARG A 79 22.425 6.601 16.052 1.00 0.00 H new ATOM 0 HD2 ARG A 79 20.885 4.892 14.930 1.00 0.00 H new ATOM 0 HD3 ARG A 79 19.627 6.112 14.970 1.00 0.00 H new ATOM 0 HE ARG A 79 21.828 7.375 13.774 1.00 0.00 H new ATOM 0 HH11 ARG A 79 19.816 4.539 13.174 1.00 0.00 H new ATOM 0 HH12 ARG A 79 20.020 4.622 11.421 1.00 0.00 H new ATOM 0 HH21 ARG A 79 22.088 7.475 11.523 1.00 0.00 H new ATOM 0 HH22 ARG A 79 21.301 6.278 10.490 1.00 0.00 H new ATOM 1042 N ASP A 80 19.353 5.083 20.179 1.00 0.00 N ATOM 1043 CA ASP A 80 18.539 4.112 20.899 1.00 0.00 C ATOM 1044 C ASP A 80 17.269 4.761 21.441 1.00 0.00 C ATOM 1045 O ASP A 80 16.180 4.196 21.344 1.00 0.00 O ATOM 1046 CB ASP A 80 19.339 3.493 22.046 1.00 0.00 C ATOM 1047 CG ASP A 80 19.231 1.982 22.080 1.00 0.00 C ATOM 1048 OD1 ASP A 80 18.093 1.468 22.059 1.00 0.00 O ATOM 1049 OD2 ASP A 80 20.284 1.311 22.128 1.00 0.00 O ATOM 0 H ASP A 80 20.174 5.407 20.690 1.00 0.00 H new ATOM 0 HA ASP A 80 18.254 3.326 20.200 1.00 0.00 H new ATOM 0 HB2 ASP A 80 20.387 3.777 21.948 1.00 0.00 H new ATOM 0 HB3 ASP A 80 18.985 3.901 22.993 1.00 0.00 H new ATOM 1053 N TYR A 81 17.417 5.951 22.014 1.00 0.00 N ATOM 1054 CA TYR A 81 16.283 6.676 22.574 1.00 0.00 C ATOM 1055 C TYR A 81 15.381 7.215 21.468 1.00 0.00 C ATOM 1056 O TYR A 81 14.156 7.151 21.566 1.00 0.00 O ATOM 1057 CB TYR A 81 16.772 7.826 23.456 1.00 0.00 C ATOM 1058 CG TYR A 81 15.655 8.590 24.130 1.00 0.00 C ATOM 1059 CD1 TYR A 81 14.580 7.923 24.705 1.00 0.00 C ATOM 1060 CD2 TYR A 81 15.675 9.977 24.195 1.00 0.00 C ATOM 1061 CE1 TYR A 81 13.557 8.617 25.321 1.00 0.00 C ATOM 1062 CE2 TYR A 81 14.657 10.679 24.810 1.00 0.00 C ATOM 1063 CZ TYR A 81 13.600 9.994 25.372 1.00 0.00 C ATOM 1064 OH TYR A 81 12.583 10.688 25.987 1.00 0.00 O ATOM 0 H TYR A 81 18.311 6.433 22.103 1.00 0.00 H new ATOM 0 HA TYR A 81 15.704 5.981 23.183 1.00 0.00 H new ATOM 0 HB2 TYR A 81 17.441 7.428 24.219 1.00 0.00 H new ATOM 0 HB3 TYR A 81 17.357 8.516 22.848 1.00 0.00 H new ATOM 0 HD1 TYR A 81 14.544 6.844 24.670 1.00 0.00 H new ATOM 0 HD2 TYR A 81 16.502 10.516 23.757 1.00 0.00 H new ATOM 0 HE1 TYR A 81 12.727 8.083 25.761 1.00 0.00 H new ATOM 0 HE2 TYR A 81 14.688 11.758 24.851 1.00 0.00 H new ATOM 0 HH TYR A 81 12.766 11.649 25.937 1.00 0.00 H new ATOM 1073 N MET A 82 15.997 7.746 20.418 1.00 0.00 N ATOM 1074 CA MET A 82 15.250 8.295 19.291 1.00 0.00 C ATOM 1075 C MET A 82 14.420 7.212 18.609 1.00 0.00 C ATOM 1076 O MET A 82 13.206 7.346 18.464 1.00 0.00 O ATOM 1077 CB MET A 82 16.206 8.933 18.281 1.00 0.00 C ATOM 1078 CG MET A 82 16.437 10.417 18.518 1.00 0.00 C ATOM 1079 SD MET A 82 15.112 11.442 17.852 1.00 0.00 S ATOM 1080 CE MET A 82 15.832 11.959 16.295 1.00 0.00 C ATOM 0 H MET A 82 17.011 7.808 20.323 1.00 0.00 H new ATOM 0 HA MET A 82 14.573 9.059 19.673 1.00 0.00 H new ATOM 0 HB2 MET A 82 17.163 8.414 18.321 1.00 0.00 H new ATOM 0 HB3 MET A 82 15.808 8.791 17.276 1.00 0.00 H new ATOM 0 HG2 MET A 82 16.529 10.600 19.589 1.00 0.00 H new ATOM 0 HG3 MET A 82 17.382 10.711 18.062 1.00 0.00 H new ATOM 0 HE1 MET A 82 15.129 12.602 15.765 1.00 0.00 H new ATOM 0 HE2 MET A 82 16.754 12.509 16.485 1.00 0.00 H new ATOM 0 HE3 MET A 82 16.051 11.082 15.687 1.00 0.00 H new ATOM 1088 N GLY A 83 15.084 6.138 18.193 1.00 0.00 N ATOM 1089 CA GLY A 83 14.391 5.048 17.531 1.00 0.00 C ATOM 1090 C GLY A 83 13.282 4.464 18.383 1.00 0.00 C ATOM 1091 O GLY A 83 12.281 3.975 17.861 1.00 0.00 O ATOM 0 H GLY A 83 16.089 6.003 18.303 1.00 0.00 H new ATOM 0 HA2 GLY A 83 13.972 5.406 16.590 1.00 0.00 H new ATOM 0 HA3 GLY A 83 15.106 4.264 17.284 1.00 0.00 H new ATOM 1095 N ALA A 84 13.461 4.513 19.700 1.00 0.00 N ATOM 1096 CA ALA A 84 12.467 3.984 20.626 1.00 0.00 C ATOM 1097 C ALA A 84 11.228 4.873 20.666 1.00 0.00 C ATOM 1098 O ALA A 84 10.115 4.393 20.881 1.00 0.00 O ATOM 1099 CB ALA A 84 13.064 3.845 22.018 1.00 0.00 C ATOM 0 H ALA A 84 14.285 4.913 20.149 1.00 0.00 H new ATOM 0 HA ALA A 84 12.165 2.998 20.273 1.00 0.00 H new ATOM 0 HB1 ALA A 84 12.311 3.449 22.699 1.00 0.00 H new ATOM 0 HB2 ALA A 84 13.915 3.165 21.983 1.00 0.00 H new ATOM 0 HB3 ALA A 84 13.395 4.822 22.371 1.00 0.00 H new ATOM 1105 N ALA A 85 11.429 6.170 20.460 1.00 0.00 N ATOM 1106 CA ALA A 85 10.327 7.125 20.471 1.00 0.00 C ATOM 1107 C ALA A 85 9.403 6.912 19.277 1.00 0.00 C ATOM 1108 O ALA A 85 8.188 7.079 19.380 1.00 0.00 O ATOM 1109 CB ALA A 85 10.863 8.549 20.480 1.00 0.00 C ATOM 0 H ALA A 85 12.344 6.584 20.283 1.00 0.00 H new ATOM 0 HA ALA A 85 9.746 6.962 21.379 1.00 0.00 H new ATOM 0 HB1 ALA A 85 10.030 9.251 20.488 1.00 0.00 H new ATOM 0 HB2 ALA A 85 11.475 8.702 21.369 1.00 0.00 H new ATOM 0 HB3 ALA A 85 11.469 8.715 19.589 1.00 0.00 H new ATOM 1115 N LYS A 86 9.987 6.544 18.141 1.00 0.00 N ATOM 1116 CA LYS A 86 9.218 6.308 16.926 1.00 0.00 C ATOM 1117 C LYS A 86 8.284 5.115 17.097 1.00 0.00 C ATOM 1118 O LYS A 86 7.073 5.229 16.901 1.00 0.00 O ATOM 1119 CB LYS A 86 10.156 6.068 15.741 1.00 0.00 C ATOM 1120 CG LYS A 86 10.937 7.303 15.325 1.00 0.00 C ATOM 1121 CD LYS A 86 12.431 7.032 15.288 1.00 0.00 C ATOM 1122 CE LYS A 86 13.089 7.692 14.085 1.00 0.00 C ATOM 1123 NZ LYS A 86 14.486 7.217 13.887 1.00 0.00 N ATOM 0 H LYS A 86 10.992 6.403 18.037 1.00 0.00 H new ATOM 0 HA LYS A 86 8.615 7.195 16.730 1.00 0.00 H new ATOM 0 HB2 LYS A 86 10.857 5.274 15.998 1.00 0.00 H new ATOM 0 HB3 LYS A 86 9.572 5.714 14.891 1.00 0.00 H new ATOM 0 HG2 LYS A 86 10.602 7.632 14.342 1.00 0.00 H new ATOM 0 HG3 LYS A 86 10.731 8.116 16.021 1.00 0.00 H new ATOM 0 HD2 LYS A 86 12.892 7.402 16.204 1.00 0.00 H new ATOM 0 HD3 LYS A 86 12.606 5.957 15.255 1.00 0.00 H new ATOM 0 HE2 LYS A 86 12.504 7.482 13.190 1.00 0.00 H new ATOM 0 HE3 LYS A 86 13.089 8.774 14.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 14.899 7.690 13.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 15.051 7.440 14.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 14.484 6.188 13.734 1.00 0.00 H new ATOM 1133 N SER A 87 8.852 3.970 17.464 1.00 0.00 N ATOM 1134 CA SER A 87 8.070 2.756 17.659 1.00 0.00 C ATOM 1135 C SER A 87 7.020 2.955 18.749 1.00 0.00 C ATOM 1136 O SER A 87 5.881 2.508 18.618 1.00 0.00 O ATOM 1137 CB SER A 87 8.987 1.586 18.025 1.00 0.00 C ATOM 1138 OG SER A 87 8.460 0.358 17.553 1.00 0.00 O ATOM 0 H SER A 87 9.852 3.859 17.632 1.00 0.00 H new ATOM 0 HA SER A 87 7.559 2.529 16.724 1.00 0.00 H new ATOM 0 HB2 SER A 87 9.977 1.748 17.598 1.00 0.00 H new ATOM 0 HB3 SER A 87 9.110 1.541 19.107 1.00 0.00 H new ATOM 0 HG SER A 87 9.065 -0.373 17.798 1.00 0.00 H new ATOM 1143 N LYS A 88 7.413 3.628 19.824 1.00 0.00 N ATOM 1144 CA LYS A 88 6.510 3.888 20.937 1.00 0.00 C ATOM 1145 C LYS A 88 5.409 4.861 20.528 1.00 0.00 C ATOM 1146 O LYS A 88 4.244 4.686 20.891 1.00 0.00 O ATOM 1147 CB LYS A 88 7.285 4.451 22.131 1.00 0.00 C ATOM 1148 CG LYS A 88 8.163 3.425 22.826 1.00 0.00 C ATOM 1149 CD LYS A 88 7.331 2.355 23.513 1.00 0.00 C ATOM 1150 CE LYS A 88 7.328 2.535 25.023 1.00 0.00 C ATOM 1151 NZ LYS A 88 7.317 1.229 25.738 1.00 0.00 N ATOM 0 H LYS A 88 8.353 4.004 19.948 1.00 0.00 H new ATOM 0 HA LYS A 88 6.048 2.944 21.225 1.00 0.00 H new ATOM 0 HB2 LYS A 88 7.908 5.279 21.791 1.00 0.00 H new ATOM 0 HB3 LYS A 88 6.577 4.859 22.853 1.00 0.00 H new ATOM 0 HG2 LYS A 88 8.827 2.959 22.098 1.00 0.00 H new ATOM 0 HG3 LYS A 88 8.795 3.923 23.561 1.00 0.00 H new ATOM 0 HD2 LYS A 88 6.308 2.392 23.139 1.00 0.00 H new ATOM 0 HD3 LYS A 88 7.726 1.370 23.264 1.00 0.00 H new ATOM 0 HE2 LYS A 88 8.207 3.105 25.322 1.00 0.00 H new ATOM 0 HE3 LYS A 88 6.455 3.117 25.317 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 7.315 1.395 26.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 6.465 0.695 25.472 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 8.163 0.683 25.477 1.00 0.00 H new ATOM 1161 N LEU A 89 5.783 5.886 19.770 1.00 0.00 N ATOM 1162 CA LEU A 89 4.826 6.886 19.310 1.00 0.00 C ATOM 1163 C LEU A 89 3.831 6.276 18.329 1.00 0.00 C ATOM 1164 O LEU A 89 2.619 6.355 18.530 1.00 0.00 O ATOM 1165 CB LEU A 89 5.560 8.054 18.649 1.00 0.00 C ATOM 1166 CG LEU A 89 4.676 9.149 18.049 1.00 0.00 C ATOM 1167 CD1 LEU A 89 4.208 8.754 16.657 1.00 0.00 C ATOM 1168 CD2 LEU A 89 3.485 9.429 18.955 1.00 0.00 C ATOM 0 H LEU A 89 6.742 6.046 19.461 1.00 0.00 H new ATOM 0 HA LEU A 89 4.275 7.253 20.176 1.00 0.00 H new ATOM 0 HB2 LEU A 89 6.217 8.510 19.390 1.00 0.00 H new ATOM 0 HB3 LEU A 89 6.198 7.656 17.859 1.00 0.00 H new ATOM 0 HG LEU A 89 5.266 10.061 17.966 1.00 0.00 H new ATOM 0 HD11 LEU A 89 3.580 9.545 16.246 1.00 0.00 H new ATOM 0 HD12 LEU A 89 5.073 8.605 16.011 1.00 0.00 H new ATOM 0 HD13 LEU A 89 3.634 7.829 16.715 1.00 0.00 H new ATOM 0 HD21 LEU A 89 2.867 10.210 18.513 1.00 0.00 H new ATOM 0 HD22 LEU A 89 2.894 8.520 19.070 1.00 0.00 H new ATOM 0 HD23 LEU A 89 3.840 9.757 19.932 1.00 0.00 H new ATOM 1179 N ASN A 90 4.350 5.666 17.268 1.00 0.00 N ATOM 1180 CA ASN A 90 3.505 5.041 16.257 1.00 0.00 C ATOM 1181 C ASN A 90 2.540 4.044 16.894 1.00 0.00 C ATOM 1182 O ASN A 90 1.457 3.789 16.366 1.00 0.00 O ATOM 1183 CB ASN A 90 4.367 4.335 15.208 1.00 0.00 C ATOM 1184 CG ASN A 90 3.852 4.546 13.799 1.00 0.00 C ATOM 1185 OD1 ASN A 90 3.242 3.655 13.208 1.00 0.00 O ATOM 1186 ND2 ASN A 90 4.096 5.732 13.252 1.00 0.00 N ATOM 0 H ASN A 90 5.351 5.591 17.086 1.00 0.00 H new ATOM 0 HA ASN A 90 2.922 5.824 15.772 1.00 0.00 H new ATOM 0 HB2 ASN A 90 5.391 4.702 15.276 1.00 0.00 H new ATOM 0 HB3 ASN A 90 4.396 3.267 15.425 1.00 0.00 H new ATOM 0 HD21 ASN A 90 3.774 5.933 12.305 1.00 0.00 H new ATOM 0 HD22 ASN A 90 4.606 6.441 13.779 1.00 0.00 H new ATOM 1192 N ASP A 91 2.941 3.485 18.030 1.00 0.00 N ATOM 1193 CA ASP A 91 2.112 2.518 18.741 1.00 0.00 C ATOM 1194 C ASP A 91 0.933 3.208 19.420 1.00 0.00 C ATOM 1195 O ASP A 91 -0.178 2.682 19.440 1.00 0.00 O ATOM 1196 CB ASP A 91 2.946 1.765 19.778 1.00 0.00 C ATOM 1197 CG ASP A 91 3.113 0.298 19.432 1.00 0.00 C ATOM 1198 OD1 ASP A 91 3.803 -0.001 18.435 1.00 0.00 O ATOM 1199 OD2 ASP A 91 2.555 -0.549 20.158 1.00 0.00 O ATOM 0 H ASP A 91 3.835 3.685 18.479 1.00 0.00 H new ATOM 0 HA ASP A 91 1.722 1.806 18.014 1.00 0.00 H new ATOM 0 HB2 ASP A 91 3.928 2.231 19.858 1.00 0.00 H new ATOM 0 HB3 ASP A 91 2.471 1.853 20.755 1.00 0.00 H new ATOM 1203 N ALA A 92 1.186 4.388 19.976 1.00 0.00 N ATOM 1204 CA ALA A 92 0.146 5.151 20.657 1.00 0.00 C ATOM 1205 C ALA A 92 -0.798 5.805 19.654 1.00 0.00 C ATOM 1206 O ALA A 92 -2.019 5.706 19.780 1.00 0.00 O ATOM 1207 CB ALA A 92 0.769 6.202 21.562 1.00 0.00 C ATOM 0 H ALA A 92 2.102 4.837 19.969 1.00 0.00 H new ATOM 0 HA ALA A 92 -0.436 4.461 21.269 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -0.019 6.764 22.064 1.00 0.00 H new ATOM 0 HB2 ALA A 92 1.398 5.714 22.307 1.00 0.00 H new ATOM 0 HB3 ALA A 92 1.376 6.883 20.965 1.00 0.00 H new ATOM 1213 N VAL A 93 -0.226 6.475 18.658 1.00 0.00 N ATOM 1214 CA VAL A 93 -1.018 7.146 17.634 1.00 0.00 C ATOM 1215 C VAL A 93 -2.032 6.194 17.012 1.00 0.00 C ATOM 1216 O VAL A 93 -3.230 6.474 16.994 1.00 0.00 O ATOM 1217 CB VAL A 93 -0.122 7.723 16.522 1.00 0.00 C ATOM 1218 CG1 VAL A 93 -0.966 8.415 15.462 1.00 0.00 C ATOM 1219 CG2 VAL A 93 0.903 8.682 17.108 1.00 0.00 C ATOM 0 H VAL A 93 0.783 6.567 18.539 1.00 0.00 H new ATOM 0 HA VAL A 93 -1.546 7.963 18.126 1.00 0.00 H new ATOM 0 HB VAL A 93 0.413 6.901 16.047 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -0.316 8.817 14.684 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -1.658 7.697 15.022 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -1.530 9.228 15.919 1.00 0.00 H new ATOM 0 HG21 VAL A 93 1.528 9.080 16.308 1.00 0.00 H new ATOM 0 HG22 VAL A 93 0.389 9.502 17.610 1.00 0.00 H new ATOM 0 HG23 VAL A 93 1.528 8.152 17.827 1.00 0.00 H new ATOM 1229 N GLU A 94 -1.544 5.066 16.505 1.00 0.00 N ATOM 1230 CA GLU A 94 -2.409 4.072 15.882 1.00 0.00 C ATOM 1231 C GLU A 94 -3.593 3.738 16.785 1.00 0.00 C ATOM 1232 O GLU A 94 -4.707 3.515 16.311 1.00 0.00 O ATOM 1233 CB GLU A 94 -1.619 2.800 15.567 1.00 0.00 C ATOM 1234 CG GLU A 94 -1.574 2.462 14.086 1.00 0.00 C ATOM 1235 CD GLU A 94 -2.365 1.213 13.749 1.00 0.00 C ATOM 1236 OE1 GLU A 94 -2.262 0.224 14.504 1.00 0.00 O ATOM 1237 OE2 GLU A 94 -3.087 1.225 12.730 1.00 0.00 O ATOM 0 H GLU A 94 -0.555 4.818 16.514 1.00 0.00 H new ATOM 0 HA GLU A 94 -2.791 4.493 14.952 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -0.600 2.915 15.936 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -2.062 1.964 16.109 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -1.967 3.302 13.513 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -0.537 2.325 13.780 1.00 0.00 H new ATOM 1242 N TYR A 95 -3.342 3.702 18.089 1.00 0.00 N ATOM 1243 CA TYR A 95 -4.385 3.393 19.060 1.00 0.00 C ATOM 1244 C TYR A 95 -5.310 4.588 19.266 1.00 0.00 C ATOM 1245 O TYR A 95 -6.527 4.434 19.377 1.00 0.00 O ATOM 1246 CB TYR A 95 -3.762 2.979 20.394 1.00 0.00 C ATOM 1247 CG TYR A 95 -4.767 2.460 21.398 1.00 0.00 C ATOM 1248 CD1 TYR A 95 -5.576 3.334 22.115 1.00 0.00 C ATOM 1249 CD2 TYR A 95 -4.910 1.098 21.626 1.00 0.00 C ATOM 1250 CE1 TYR A 95 -6.495 2.864 23.033 1.00 0.00 C ATOM 1251 CE2 TYR A 95 -5.828 0.619 22.542 1.00 0.00 C ATOM 1252 CZ TYR A 95 -6.618 1.506 23.242 1.00 0.00 C ATOM 1253 OH TYR A 95 -7.532 1.034 24.156 1.00 0.00 O ATOM 0 H TYR A 95 -2.425 3.883 18.498 1.00 0.00 H new ATOM 0 HA TYR A 95 -4.975 2.564 18.670 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -3.013 2.209 20.212 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -3.241 3.835 20.823 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -5.485 4.398 21.952 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -4.293 0.401 21.078 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -7.114 3.556 23.584 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -5.926 -0.444 22.708 1.00 0.00 H new ATOM 0 HH TYR A 95 -7.493 0.055 24.182 1.00 0.00 H new ATOM 1262 N VAL A 96 -4.724 5.780 19.317 1.00 0.00 N ATOM 1263 CA VAL A 96 -5.494 7.003 19.508 1.00 0.00 C ATOM 1264 C VAL A 96 -6.423 7.258 18.326 1.00 0.00 C ATOM 1265 O VAL A 96 -7.620 7.484 18.503 1.00 0.00 O ATOM 1266 CB VAL A 96 -4.572 8.223 19.696 1.00 0.00 C ATOM 1267 CG1 VAL A 96 -5.389 9.465 20.018 1.00 0.00 C ATOM 1268 CG2 VAL A 96 -3.545 7.953 20.785 1.00 0.00 C ATOM 0 H VAL A 96 -3.718 5.925 19.229 1.00 0.00 H new ATOM 0 HA VAL A 96 -6.089 6.865 20.410 1.00 0.00 H new ATOM 0 HB VAL A 96 -4.038 8.400 18.762 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -4.721 10.317 20.147 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -6.081 9.668 19.200 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -5.952 9.302 20.937 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -2.903 8.826 20.904 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -4.057 7.749 21.725 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -2.938 7.091 20.507 1.00 0.00 H new ATOM 1278 N SER A 97 -5.862 7.221 17.121 1.00 0.00 N ATOM 1279 CA SER A 97 -6.640 7.452 15.910 1.00 0.00 C ATOM 1280 C SER A 97 -7.768 6.431 15.785 1.00 0.00 C ATOM 1281 O SER A 97 -8.828 6.724 15.235 1.00 0.00 O ATOM 1282 CB SER A 97 -5.736 7.384 14.678 1.00 0.00 C ATOM 1283 OG SER A 97 -5.846 8.562 13.898 1.00 0.00 O ATOM 0 H SER A 97 -4.873 7.033 16.958 1.00 0.00 H new ATOM 0 HA SER A 97 -7.080 8.447 15.975 1.00 0.00 H new ATOM 0 HB2 SER A 97 -4.701 7.246 14.990 1.00 0.00 H new ATOM 0 HB3 SER A 97 -6.005 6.518 14.074 1.00 0.00 H new ATOM 0 HG SER A 97 -5.257 8.494 13.118 1.00 0.00 H new ATOM 1288 N GLY A 98 -7.528 5.229 16.300 1.00 0.00 N ATOM 1289 CA GLY A 98 -8.531 4.181 16.237 1.00 0.00 C ATOM 1290 C GLY A 98 -9.612 4.350 17.285 1.00 0.00 C ATOM 1291 O GLY A 98 -10.719 3.834 17.133 1.00 0.00 O ATOM 0 H GLY A 98 -6.657 4.962 16.760 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -8.987 4.177 15.247 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -8.049 3.212 16.370 1.00 0.00 H new ATOM 1295 N ARG A 99 -9.291 5.073 18.353 1.00 0.00 N ATOM 1296 CA ARG A 99 -10.244 5.306 19.432 1.00 0.00 C ATOM 1297 C ARG A 99 -11.083 6.550 19.158 1.00 0.00 C ATOM 1298 O ARG A 99 -12.309 6.523 19.275 1.00 0.00 O ATOM 1299 CB ARG A 99 -9.509 5.457 20.765 1.00 0.00 C ATOM 1300 CG ARG A 99 -9.541 4.204 21.625 1.00 0.00 C ATOM 1301 CD ARG A 99 -10.643 4.275 22.672 1.00 0.00 C ATOM 1302 NE ARG A 99 -10.183 3.821 23.981 1.00 0.00 N ATOM 1303 CZ ARG A 99 -10.949 3.812 25.066 1.00 0.00 C ATOM 1304 NH1 ARG A 99 -12.206 4.230 24.998 1.00 0.00 N ATOM 1305 NH2 ARG A 99 -10.459 3.385 26.223 1.00 0.00 N ATOM 0 H ARG A 99 -8.379 5.507 18.494 1.00 0.00 H new ATOM 0 HA ARG A 99 -10.910 4.445 19.487 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -8.471 5.726 20.569 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -9.952 6.282 21.323 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -9.695 3.330 20.992 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -8.577 4.075 22.118 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -11.004 5.301 22.750 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -11.487 3.664 22.352 1.00 0.00 H new ATOM 0 HE ARG A 99 -9.221 3.493 24.067 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -12.587 4.559 24.111 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -12.792 4.222 25.833 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -9.493 3.063 26.280 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -11.049 3.379 27.055 1.00 0.00 H new ATOM 1316 N VAL A 100 -10.416 7.640 18.792 1.00 0.00 N ATOM 1317 CA VAL A 100 -11.100 8.893 18.500 1.00 0.00 C ATOM 1318 C VAL A 100 -12.230 8.683 17.499 1.00 0.00 C ATOM 1319 O VAL A 100 -13.287 9.307 17.599 1.00 0.00 O ATOM 1320 CB VAL A 100 -10.126 9.948 17.943 1.00 0.00 C ATOM 1321 CG1 VAL A 100 -10.871 11.220 17.569 1.00 0.00 C ATOM 1322 CG2 VAL A 100 -9.026 10.243 18.952 1.00 0.00 C ATOM 0 H VAL A 100 -9.402 7.680 18.691 1.00 0.00 H new ATOM 0 HA VAL A 100 -11.515 9.253 19.442 1.00 0.00 H new ATOM 0 HB VAL A 100 -9.663 9.548 17.041 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -10.166 11.953 17.178 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -11.618 10.994 16.809 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -11.364 11.626 18.452 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -8.347 10.990 18.542 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -9.469 10.622 19.873 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -8.473 9.328 19.165 1.00 0.00 H new