USER MOD reduce.3.24.130724 H: found=0, std=0, add=589, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 586 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 28 SER OG : rot 119:sc= 0.389 USER MOD Set 1.2: A 30 HIS : no HE2:sc= -4.7! C(o=-4.3!,f=-6.2!) USER MOD Set 2.1: A 12 CYS SG : rot 137:sc= -0.405 USER MOD Set 2.2: A 17 CYS SG : rot -150:sc= 0.848 USER MOD Set 2.3: A 19 THR OG1 : rot 92:sc= 1.93 USER MOD Set 2.4: A 60 CYS SG : rot -171:sc= -4.67! USER MOD Set 2.5: A 63 HIS : no HD1:sc= -0.501 X(o=-2.8,f=-2.6) USER MOD Single : A 11 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0.0508 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 ASN : amide:sc= -1.49! K(o=-1.5!,f=-0.5) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 HIS : no HD1:sc=-0.00245 X(o=-0.0025,f=-0.11) USER MOD Single : A 57 THR OG1 : rot -140:sc= 0.0883 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 CYS SG : rot 180:sc=-0.00729 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0.374 USER MOD Single : A 79 LYS NZ :NH3+ -175:sc= 0.166 (180deg=0.146) USER MOD Single : A 80 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0.00454 USER MOD ----------------------------------------------------------------- ATOM 111 N ASN A 11 -6.315 1.974 32.527 1.00 0.00 N ATOM 112 CA ASN A 11 -6.309 1.531 33.917 1.00 0.00 C ATOM 113 C ASN A 11 -5.058 0.712 34.221 1.00 0.00 C ATOM 114 O ASN A 11 -4.325 0.317 33.314 1.00 0.00 O ATOM 115 CB ASN A 11 -7.560 0.703 34.216 1.00 0.00 C ATOM 116 CG ASN A 11 -8.041 -0.075 33.007 1.00 0.00 C ATOM 117 OD1 ASN A 11 -7.472 -1.108 32.653 1.00 0.00 O ATOM 118 ND2 ASN A 11 -9.094 0.419 32.366 1.00 0.00 N ATOM 0 HA ASN A 11 -6.307 2.415 34.554 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -7.347 0.010 35.030 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -8.356 1.364 34.560 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -9.463 -0.061 31.545 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -9.534 1.278 32.695 1.00 0.00 H new ATOM 125 N CYS A 12 -4.821 0.459 35.504 1.00 0.00 N ATOM 126 CA CYS A 12 -3.660 -0.313 35.929 1.00 0.00 C ATOM 127 C CYS A 12 -3.982 -1.804 35.965 1.00 0.00 C ATOM 128 O CYS A 12 -5.001 -2.216 36.519 1.00 0.00 O ATOM 129 CB CYS A 12 -3.189 0.152 37.309 1.00 0.00 C ATOM 130 SG CYS A 12 -1.787 -0.801 37.977 1.00 0.00 S ATOM 0 H CYS A 12 -5.418 0.778 36.267 1.00 0.00 H new ATOM 0 HA CYS A 12 -2.861 -0.149 35.206 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -2.905 1.203 37.249 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -4.024 0.087 38.007 1.00 0.00 H new ATOM 0 HG CYS A 12 -0.929 0.011 38.520 1.00 0.00 H new ATOM 135 N ALA A 13 -3.106 -2.608 35.371 1.00 0.00 N ATOM 136 CA ALA A 13 -3.295 -4.053 35.337 1.00 0.00 C ATOM 137 C ALA A 13 -3.370 -4.630 36.746 1.00 0.00 C ATOM 138 O ALA A 13 -4.212 -5.479 37.036 1.00 0.00 O ATOM 139 CB ALA A 13 -2.172 -4.714 34.553 1.00 0.00 C ATOM 0 H ALA A 13 -2.258 -2.283 34.907 1.00 0.00 H new ATOM 0 HA ALA A 13 -4.242 -4.259 34.838 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -2.326 -5.793 34.536 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -2.167 -4.332 33.532 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -1.217 -4.492 35.028 1.00 0.00 H new ATOM 145 N ALA A 14 -2.483 -4.163 37.620 1.00 0.00 N ATOM 146 CA ALA A 14 -2.450 -4.633 38.999 1.00 0.00 C ATOM 147 C ALA A 14 -3.853 -4.944 39.507 1.00 0.00 C ATOM 148 O ALA A 14 -4.794 -4.189 39.262 1.00 0.00 O ATOM 149 CB ALA A 14 -1.780 -3.599 39.892 1.00 0.00 C ATOM 0 H ALA A 14 -1.778 -3.460 37.397 1.00 0.00 H new ATOM 0 HA ALA A 14 -1.869 -5.555 39.029 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -1.762 -3.963 40.919 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -0.759 -3.429 39.549 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -2.338 -2.664 39.848 1.00 0.00 H new ATOM 155 N ALA A 15 -3.987 -6.061 40.215 1.00 0.00 N ATOM 156 CA ALA A 15 -5.276 -6.471 40.759 1.00 0.00 C ATOM 157 C ALA A 15 -5.493 -5.892 42.153 1.00 0.00 C ATOM 158 O ALA A 15 -4.901 -6.354 43.126 1.00 0.00 O ATOM 159 CB ALA A 15 -5.375 -7.989 40.794 1.00 0.00 C ATOM 0 H ALA A 15 -3.219 -6.698 40.425 1.00 0.00 H new ATOM 0 HA ALA A 15 -6.058 -6.082 40.107 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -6.342 -8.281 41.202 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -5.274 -8.384 39.783 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -4.580 -8.391 41.422 1.00 0.00 H new ATOM 165 N GLY A 16 -6.347 -4.877 42.241 1.00 0.00 N ATOM 166 CA GLY A 16 -6.627 -4.251 43.520 1.00 0.00 C ATOM 167 C GLY A 16 -6.142 -2.816 43.581 1.00 0.00 C ATOM 168 O GLY A 16 -6.388 -2.111 44.561 1.00 0.00 O ATOM 0 H GLY A 16 -6.850 -4.477 41.449 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -7.701 -4.277 43.706 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -6.152 -4.826 44.315 1.00 0.00 H new ATOM 172 N CYS A 17 -5.450 -2.382 42.534 1.00 0.00 N ATOM 173 CA CYS A 17 -4.927 -1.022 42.473 1.00 0.00 C ATOM 174 C CYS A 17 -5.975 -0.061 41.919 1.00 0.00 C ATOM 175 O CYS A 17 -6.789 -0.433 41.075 1.00 0.00 O ATOM 176 CB CYS A 17 -3.667 -0.976 41.605 1.00 0.00 C ATOM 177 SG CYS A 17 -3.068 0.708 41.253 1.00 0.00 S ATOM 0 H CYS A 17 -5.238 -2.952 41.715 1.00 0.00 H new ATOM 0 HA CYS A 17 -4.673 -0.711 43.486 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -2.875 -1.535 42.103 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -3.870 -1.483 40.661 1.00 0.00 H new ATOM 0 HG CYS A 17 -2.476 0.725 40.096 1.00 0.00 H new ATOM 182 N ALA A 18 -5.946 1.178 42.401 1.00 0.00 N ATOM 183 CA ALA A 18 -6.891 2.193 41.953 1.00 0.00 C ATOM 184 C ALA A 18 -6.165 3.395 41.358 1.00 0.00 C ATOM 185 O ALA A 18 -6.251 4.507 41.879 1.00 0.00 O ATOM 186 CB ALA A 18 -7.782 2.631 43.106 1.00 0.00 C ATOM 0 H ALA A 18 -5.279 1.502 43.101 1.00 0.00 H new ATOM 0 HA ALA A 18 -7.514 1.754 41.173 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -8.483 3.389 42.757 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -8.336 1.772 43.484 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -7.166 3.046 43.904 1.00 0.00 H new ATOM 192 N THR A 19 -5.448 3.164 40.262 1.00 0.00 N ATOM 193 CA THR A 19 -4.705 4.227 39.597 1.00 0.00 C ATOM 194 C THR A 19 -5.257 4.493 38.201 1.00 0.00 C ATOM 195 O THR A 19 -5.094 3.679 37.292 1.00 0.00 O ATOM 196 CB THR A 19 -3.208 3.882 39.487 1.00 0.00 C ATOM 197 OG1 THR A 19 -2.625 3.808 40.793 1.00 0.00 O ATOM 198 CG2 THR A 19 -2.472 4.923 38.657 1.00 0.00 C ATOM 0 H THR A 19 -5.366 2.250 39.817 1.00 0.00 H new ATOM 0 HA THR A 19 -4.820 5.123 40.207 1.00 0.00 H new ATOM 0 HB THR A 19 -3.116 2.915 38.993 1.00 0.00 H new ATOM 0 HG1 THR A 19 -2.672 2.885 41.120 1.00 0.00 H new ATOM 0 HG21 THR A 19 -1.417 4.658 38.593 1.00 0.00 H new ATOM 0 HG22 THR A 19 -2.899 4.957 37.655 1.00 0.00 H new ATOM 0 HG23 THR A 19 -2.573 5.901 39.127 1.00 0.00 H new ATOM 206 N THR A 20 -5.910 5.640 38.037 1.00 0.00 N ATOM 207 CA THR A 20 -6.487 6.013 36.752 1.00 0.00 C ATOM 208 C THR A 20 -6.385 7.516 36.520 1.00 0.00 C ATOM 209 O THR A 20 -5.685 7.968 35.613 1.00 0.00 O ATOM 210 CB THR A 20 -7.965 5.590 36.654 1.00 0.00 C ATOM 211 OG1 THR A 20 -8.640 5.880 37.883 1.00 0.00 O ATOM 212 CG2 THR A 20 -8.083 4.105 36.344 1.00 0.00 C ATOM 0 H THR A 20 -6.052 6.326 38.778 1.00 0.00 H new ATOM 0 HA THR A 20 -5.916 5.489 35.986 1.00 0.00 H new ATOM 0 HB THR A 20 -8.428 6.153 35.844 1.00 0.00 H new ATOM 0 HG1 THR A 20 -9.579 5.610 37.812 1.00 0.00 H new ATOM 0 HG21 THR A 20 -9.136 3.829 36.280 1.00 0.00 H new ATOM 0 HG22 THR A 20 -7.593 3.892 35.394 1.00 0.00 H new ATOM 0 HG23 THR A 20 -7.605 3.529 37.136 1.00 0.00 H new ATOM 220 N TYR A 21 -7.086 8.287 37.344 1.00 0.00 N ATOM 221 CA TYR A 21 -7.075 9.740 37.227 1.00 0.00 C ATOM 222 C TYR A 21 -6.504 10.384 38.487 1.00 0.00 C ATOM 223 O TYR A 21 -5.444 11.007 38.454 1.00 0.00 O ATOM 224 CB TYR A 21 -8.489 10.262 36.969 1.00 0.00 C ATOM 225 CG TYR A 21 -8.540 11.739 36.649 1.00 0.00 C ATOM 226 CD1 TYR A 21 -8.264 12.202 35.368 1.00 0.00 C ATOM 227 CD2 TYR A 21 -8.866 12.671 37.626 1.00 0.00 C ATOM 228 CE1 TYR A 21 -8.308 13.550 35.071 1.00 0.00 C ATOM 229 CE2 TYR A 21 -8.915 14.022 37.337 1.00 0.00 C ATOM 230 CZ TYR A 21 -8.634 14.456 36.059 1.00 0.00 C ATOM 231 OH TYR A 21 -8.681 15.800 35.766 1.00 0.00 O ATOM 0 H TYR A 21 -7.669 7.929 38.101 1.00 0.00 H new ATOM 0 HA TYR A 21 -6.437 10.007 36.384 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -8.928 9.704 36.142 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -9.105 10.067 37.847 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -8.011 11.495 34.591 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -9.085 12.334 38.629 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -8.088 13.893 34.071 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -9.172 14.733 38.108 1.00 0.00 H new ATOM 0 HH TYR A 21 -8.927 16.302 36.571 1.00 0.00 H new ATOM 241 N ASN A 22 -7.217 10.227 39.598 1.00 0.00 N ATOM 242 CA ASN A 22 -6.783 10.792 40.870 1.00 0.00 C ATOM 243 C ASN A 22 -6.599 12.303 40.760 1.00 0.00 C ATOM 244 O ASN A 22 -6.555 12.856 39.661 1.00 0.00 O ATOM 245 CB ASN A 22 -5.475 10.140 41.322 1.00 0.00 C ATOM 246 CG ASN A 22 -5.439 9.891 42.818 1.00 0.00 C ATOM 247 OD1 ASN A 22 -5.408 10.829 43.614 1.00 0.00 O ATOM 248 ND2 ASN A 22 -5.443 8.621 43.206 1.00 0.00 N ATOM 0 H ASN A 22 -8.097 9.713 39.643 1.00 0.00 H new ATOM 0 HA ASN A 22 -7.557 10.591 41.611 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -5.343 9.195 40.796 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -4.638 10.780 41.043 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -5.420 8.391 44.200 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -5.469 7.875 42.511 1.00 0.00 H new ATOM 313 N ASN A 26 1.591 11.977 39.120 1.00 0.00 N ATOM 314 CA ASN A 26 2.445 12.106 37.944 1.00 0.00 C ATOM 315 C ASN A 26 3.143 10.786 37.632 1.00 0.00 C ATOM 316 O ASN A 26 4.037 10.730 36.787 1.00 0.00 O ATOM 317 CB ASN A 26 3.485 13.206 38.162 1.00 0.00 C ATOM 318 CG ASN A 26 3.178 14.060 39.377 1.00 0.00 C ATOM 319 OD1 ASN A 26 2.911 15.256 39.258 1.00 0.00 O ATOM 320 ND2 ASN A 26 3.214 13.448 40.555 1.00 0.00 N ATOM 0 HA ASN A 26 1.815 12.373 37.096 1.00 0.00 H new ATOM 0 HB2 ASN A 26 4.470 12.753 38.279 1.00 0.00 H new ATOM 0 HB3 ASN A 26 3.529 13.841 37.277 1.00 0.00 H new ATOM 0 HD21 ASN A 26 3.016 13.971 41.408 1.00 0.00 H new ATOM 0 HD22 ASN A 26 3.440 12.455 40.607 1.00 0.00 H new ATOM 327 N ILE A 27 2.728 9.726 38.318 1.00 0.00 N ATOM 328 CA ILE A 27 3.312 8.407 38.112 1.00 0.00 C ATOM 329 C ILE A 27 3.584 8.150 36.634 1.00 0.00 C ATOM 330 O ILE A 27 2.911 8.703 35.763 1.00 0.00 O ATOM 331 CB ILE A 27 2.395 7.294 38.654 1.00 0.00 C ATOM 332 CG1 ILE A 27 2.770 6.952 40.098 1.00 0.00 C ATOM 333 CG2 ILE A 27 2.482 6.058 37.771 1.00 0.00 C ATOM 334 CD1 ILE A 27 1.698 6.180 40.834 1.00 0.00 C ATOM 0 H ILE A 27 1.990 9.755 39.021 1.00 0.00 H new ATOM 0 HA ILE A 27 4.254 8.391 38.661 1.00 0.00 H new ATOM 0 HB ILE A 27 1.366 7.653 38.641 1.00 0.00 H new ATOM 0 HG12 ILE A 27 3.691 6.369 40.097 1.00 0.00 H new ATOM 0 HG13 ILE A 27 2.978 7.875 40.639 1.00 0.00 H new ATOM 0 HG21 ILE A 27 1.828 5.281 38.167 1.00 0.00 H new ATOM 0 HG22 ILE A 27 2.171 6.312 36.758 1.00 0.00 H new ATOM 0 HG23 ILE A 27 3.509 5.694 37.754 1.00 0.00 H new ATOM 0 HD11 ILE A 27 2.032 5.972 41.851 1.00 0.00 H new ATOM 0 HD12 ILE A 27 0.782 6.770 40.866 1.00 0.00 H new ATOM 0 HD13 ILE A 27 1.506 5.240 40.316 1.00 0.00 H new ATOM 346 N SER A 28 4.573 7.306 36.357 1.00 0.00 N ATOM 347 CA SER A 28 4.935 6.977 34.984 1.00 0.00 C ATOM 348 C SER A 28 4.384 5.611 34.589 1.00 0.00 C ATOM 349 O SER A 28 4.449 4.655 35.363 1.00 0.00 O ATOM 350 CB SER A 28 6.456 6.995 34.817 1.00 0.00 C ATOM 351 OG SER A 28 7.107 6.881 36.070 1.00 0.00 O ATOM 0 H SER A 28 5.138 6.838 37.066 1.00 0.00 H new ATOM 0 HA SER A 28 4.496 7.729 34.328 1.00 0.00 H new ATOM 0 HB2 SER A 28 6.764 6.175 34.168 1.00 0.00 H new ATOM 0 HB3 SER A 28 6.761 7.920 34.328 1.00 0.00 H new ATOM 0 HG SER A 28 7.649 6.065 36.084 1.00 0.00 H new ATOM 357 N PHE A 29 3.843 5.525 33.378 1.00 0.00 N ATOM 358 CA PHE A 29 3.279 4.276 32.879 1.00 0.00 C ATOM 359 C PHE A 29 4.363 3.400 32.258 1.00 0.00 C ATOM 360 O PHE A 29 4.873 3.698 31.177 1.00 0.00 O ATOM 361 CB PHE A 29 2.184 4.562 31.849 1.00 0.00 C ATOM 362 CG PHE A 29 0.926 5.121 32.450 1.00 0.00 C ATOM 363 CD1 PHE A 29 0.894 5.517 33.777 1.00 0.00 C ATOM 364 CD2 PHE A 29 -0.223 5.250 31.688 1.00 0.00 C ATOM 365 CE1 PHE A 29 -0.262 6.033 34.333 1.00 0.00 C ATOM 366 CE2 PHE A 29 -1.382 5.765 32.238 1.00 0.00 C ATOM 367 CZ PHE A 29 -1.401 6.156 33.563 1.00 0.00 C ATOM 0 H PHE A 29 3.783 6.305 32.724 1.00 0.00 H new ATOM 0 HA PHE A 29 2.843 3.740 33.722 1.00 0.00 H new ATOM 0 HB2 PHE A 29 2.567 5.265 31.109 1.00 0.00 H new ATOM 0 HB3 PHE A 29 1.945 3.640 31.319 1.00 0.00 H new ATOM 0 HD1 PHE A 29 1.782 5.422 34.384 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -0.214 4.945 30.652 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -0.274 6.339 35.369 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -2.271 5.862 31.633 1.00 0.00 H new ATOM 0 HZ PHE A 29 -2.306 6.557 33.996 1.00 0.00 H new ATOM 377 N HIS A 30 4.710 2.319 32.948 1.00 0.00 N ATOM 378 CA HIS A 30 5.734 1.399 32.465 1.00 0.00 C ATOM 379 C HIS A 30 5.115 0.068 32.049 1.00 0.00 C ATOM 380 O HIS A 30 4.711 -0.730 32.895 1.00 0.00 O ATOM 381 CB HIS A 30 6.793 1.169 33.543 1.00 0.00 C ATOM 382 CG HIS A 30 7.509 2.417 33.956 1.00 0.00 C ATOM 383 ND1 HIS A 30 8.584 2.932 33.264 1.00 0.00 N ATOM 384 CD2 HIS A 30 7.298 3.256 34.997 1.00 0.00 C ATOM 385 CE1 HIS A 30 9.004 4.033 33.862 1.00 0.00 C ATOM 386 NE2 HIS A 30 8.240 4.252 34.916 1.00 0.00 N ATOM 0 H HIS A 30 4.297 2.058 33.844 1.00 0.00 H new ATOM 0 HA HIS A 30 6.208 1.847 31.592 1.00 0.00 H new ATOM 0 HB2 HIS A 30 6.318 0.726 34.418 1.00 0.00 H new ATOM 0 HB3 HIS A 30 7.522 0.446 33.176 1.00 0.00 H new ATOM 0 HD1 HIS A 30 8.992 2.526 32.422 1.00 0.00 H new ATOM 0 HD2 HIS A 30 6.531 3.160 35.751 1.00 0.00 H new ATOM 0 HE1 HIS A 30 9.832 4.649 33.543 1.00 0.00 H new ATOM 394 N ARG A 31 5.044 -0.164 30.743 1.00 0.00 N ATOM 395 CA ARG A 31 4.472 -1.397 30.215 1.00 0.00 C ATOM 396 C ARG A 31 5.262 -2.611 30.696 1.00 0.00 C ATOM 397 O ARG A 31 6.328 -2.473 31.297 1.00 0.00 O ATOM 398 CB ARG A 31 4.452 -1.362 28.686 1.00 0.00 C ATOM 399 CG ARG A 31 5.822 -1.152 28.063 1.00 0.00 C ATOM 400 CD ARG A 31 5.737 -1.056 26.548 1.00 0.00 C ATOM 401 NE ARG A 31 6.781 -0.199 25.994 1.00 0.00 N ATOM 402 CZ ARG A 31 6.702 1.127 25.959 1.00 0.00 C ATOM 403 NH1 ARG A 31 5.633 1.744 26.444 1.00 0.00 N ATOM 404 NH2 ARG A 31 7.694 1.838 25.439 1.00 0.00 N ATOM 0 H ARG A 31 5.376 0.486 30.030 1.00 0.00 H new ATOM 0 HA ARG A 31 3.449 -1.480 30.583 1.00 0.00 H new ATOM 0 HB2 ARG A 31 4.033 -2.298 28.315 1.00 0.00 H new ATOM 0 HB3 ARG A 31 3.787 -0.563 28.358 1.00 0.00 H new ATOM 0 HG2 ARG A 31 6.268 -0.241 28.462 1.00 0.00 H new ATOM 0 HG3 ARG A 31 6.479 -1.976 28.340 1.00 0.00 H new ATOM 0 HD2 ARG A 31 5.820 -2.053 26.116 1.00 0.00 H new ATOM 0 HD3 ARG A 31 4.760 -0.666 26.264 1.00 0.00 H new ATOM 0 HE ARG A 31 7.617 -0.642 25.613 1.00 0.00 H new ATOM 0 HH11 ARG A 31 4.869 1.201 26.845 1.00 0.00 H new ATOM 0 HH12 ARG A 31 5.575 2.762 26.416 1.00 0.00 H new ATOM 0 HH21 ARG A 31 8.518 1.367 25.066 1.00 0.00 H new ATOM 0 HH22 ARG A 31 7.633 2.856 25.412 1.00 0.00 H new ATOM 418 N PHE A 32 4.731 -3.799 30.429 1.00 0.00 N ATOM 419 CA PHE A 32 5.385 -5.038 30.836 1.00 0.00 C ATOM 420 C PHE A 32 6.723 -5.206 30.122 1.00 0.00 C ATOM 421 O PHE A 32 6.957 -4.651 29.049 1.00 0.00 O ATOM 422 CB PHE A 32 4.482 -6.237 30.540 1.00 0.00 C ATOM 423 CG PHE A 32 3.428 -6.466 31.585 1.00 0.00 C ATOM 424 CD1 PHE A 32 2.618 -5.426 32.011 1.00 0.00 C ATOM 425 CD2 PHE A 32 3.246 -7.723 32.140 1.00 0.00 C ATOM 426 CE1 PHE A 32 1.648 -5.634 32.973 1.00 0.00 C ATOM 427 CE2 PHE A 32 2.277 -7.937 33.102 1.00 0.00 C ATOM 428 CZ PHE A 32 1.476 -6.891 33.518 1.00 0.00 C ATOM 0 H PHE A 32 3.850 -3.931 29.933 1.00 0.00 H new ATOM 0 HA PHE A 32 5.569 -4.987 31.909 1.00 0.00 H new ATOM 0 HB2 PHE A 32 3.999 -6.088 29.574 1.00 0.00 H new ATOM 0 HB3 PHE A 32 5.097 -7.133 30.454 1.00 0.00 H new ATOM 0 HD1 PHE A 32 2.746 -4.441 31.586 1.00 0.00 H new ATOM 0 HD2 PHE A 32 3.868 -8.544 31.817 1.00 0.00 H new ATOM 0 HE1 PHE A 32 1.025 -4.814 33.298 1.00 0.00 H new ATOM 0 HE2 PHE A 32 2.146 -8.921 33.528 1.00 0.00 H new ATOM 0 HZ PHE A 32 0.717 -7.056 34.268 1.00 0.00 H new ATOM 438 N PRO A 33 7.624 -5.990 30.733 1.00 0.00 N ATOM 439 CA PRO A 33 8.954 -6.250 30.175 1.00 0.00 C ATOM 440 C PRO A 33 8.899 -7.121 28.925 1.00 0.00 C ATOM 441 O PRO A 33 8.100 -8.055 28.842 1.00 0.00 O ATOM 442 CB PRO A 33 9.676 -6.985 31.307 1.00 0.00 C ATOM 443 CG PRO A 33 8.587 -7.618 32.103 1.00 0.00 C ATOM 444 CD PRO A 33 7.413 -6.683 32.015 1.00 0.00 C ATOM 0 HA PRO A 33 9.450 -5.332 29.860 1.00 0.00 H new ATOM 0 HB2 PRO A 33 10.367 -7.732 30.916 1.00 0.00 H new ATOM 0 HB3 PRO A 33 10.262 -6.296 31.916 1.00 0.00 H new ATOM 0 HG2 PRO A 33 8.334 -8.601 31.706 1.00 0.00 H new ATOM 0 HG3 PRO A 33 8.894 -7.762 33.139 1.00 0.00 H new ATOM 0 HD2 PRO A 33 6.467 -7.224 32.028 1.00 0.00 H new ATOM 0 HD3 PRO A 33 7.393 -5.984 32.851 1.00 0.00 H new ATOM 452 N LEU A 34 9.751 -6.810 27.954 1.00 0.00 N ATOM 453 CA LEU A 34 9.799 -7.565 26.707 1.00 0.00 C ATOM 454 C LEU A 34 10.495 -8.907 26.910 1.00 0.00 C ATOM 455 O LEU A 34 10.355 -9.820 26.096 1.00 0.00 O ATOM 456 CB LEU A 34 10.523 -6.759 25.628 1.00 0.00 C ATOM 457 CG LEU A 34 9.803 -5.507 25.128 1.00 0.00 C ATOM 458 CD1 LEU A 34 8.766 -5.047 26.141 1.00 0.00 C ATOM 459 CD2 LEU A 34 10.801 -4.395 24.842 1.00 0.00 C ATOM 0 H LEU A 34 10.418 -6.040 28.006 1.00 0.00 H new ATOM 0 HA LEU A 34 8.775 -7.753 26.385 1.00 0.00 H new ATOM 0 HB2 LEU A 34 11.497 -6.462 26.017 1.00 0.00 H new ATOM 0 HB3 LEU A 34 10.706 -7.413 24.776 1.00 0.00 H new ATOM 0 HG LEU A 34 9.289 -5.754 24.199 1.00 0.00 H new ATOM 0 HD11 LEU A 34 8.264 -4.155 25.768 1.00 0.00 H new ATOM 0 HD12 LEU A 34 8.033 -5.838 26.296 1.00 0.00 H new ATOM 0 HD13 LEU A 34 9.258 -4.818 27.087 1.00 0.00 H new ATOM 0 HD21 LEU A 34 10.270 -3.512 24.487 1.00 0.00 H new ATOM 0 HD22 LEU A 34 11.344 -4.150 25.755 1.00 0.00 H new ATOM 0 HD23 LEU A 34 11.506 -4.726 24.079 1.00 0.00 H new ATOM 471 N ASP A 35 11.245 -9.019 28.001 1.00 0.00 N ATOM 472 CA ASP A 35 11.961 -10.251 28.313 1.00 0.00 C ATOM 473 C ASP A 35 11.013 -11.300 28.885 1.00 0.00 C ATOM 474 O ASP A 35 10.020 -10.984 29.540 1.00 0.00 O ATOM 475 CB ASP A 35 13.091 -9.972 29.304 1.00 0.00 C ATOM 476 CG ASP A 35 14.445 -10.405 28.776 1.00 0.00 C ATOM 477 OD1 ASP A 35 14.666 -10.299 27.551 1.00 0.00 O ATOM 478 OD2 ASP A 35 15.283 -10.849 29.587 1.00 0.00 O ATOM 0 H ASP A 35 11.373 -8.272 28.684 1.00 0.00 H new ATOM 0 HA ASP A 35 12.388 -10.639 27.388 1.00 0.00 H new ATOM 0 HB2 ASP A 35 13.117 -8.906 29.530 1.00 0.00 H new ATOM 0 HB3 ASP A 35 12.886 -10.492 30.240 1.00 0.00 H new ATOM 483 N PRO A 36 11.325 -12.580 28.634 1.00 0.00 N ATOM 484 CA PRO A 36 10.514 -13.702 29.115 1.00 0.00 C ATOM 485 C PRO A 36 10.603 -13.876 30.627 1.00 0.00 C ATOM 486 O PRO A 36 9.588 -14.040 31.305 1.00 0.00 O ATOM 487 CB PRO A 36 11.122 -14.912 28.401 1.00 0.00 C ATOM 488 CG PRO A 36 12.528 -14.513 28.111 1.00 0.00 C ATOM 489 CD PRO A 36 12.495 -13.031 27.860 1.00 0.00 C ATOM 0 HA PRO A 36 9.454 -13.556 28.908 1.00 0.00 H new ATOM 0 HB2 PRO A 36 11.084 -15.802 29.029 1.00 0.00 H new ATOM 0 HB3 PRO A 36 10.579 -15.145 27.485 1.00 0.00 H new ATOM 0 HG2 PRO A 36 13.182 -14.752 28.949 1.00 0.00 H new ATOM 0 HG3 PRO A 36 12.914 -15.047 27.243 1.00 0.00 H new ATOM 0 HD2 PRO A 36 13.411 -12.546 28.197 1.00 0.00 H new ATOM 0 HD3 PRO A 36 12.386 -12.805 26.799 1.00 0.00 H new ATOM 497 N LYS A 37 11.823 -13.839 31.151 1.00 0.00 N ATOM 498 CA LYS A 37 12.046 -13.990 32.584 1.00 0.00 C ATOM 499 C LYS A 37 11.127 -13.067 33.378 1.00 0.00 C ATOM 500 O LYS A 37 10.445 -13.503 34.306 1.00 0.00 O ATOM 501 CB LYS A 37 13.507 -13.691 32.928 1.00 0.00 C ATOM 502 CG LYS A 37 14.462 -14.809 32.549 1.00 0.00 C ATOM 503 CD LYS A 37 15.611 -14.296 31.696 1.00 0.00 C ATOM 504 CE LYS A 37 16.378 -15.439 31.049 1.00 0.00 C ATOM 505 NZ LYS A 37 17.366 -16.044 31.984 1.00 0.00 N ATOM 0 H LYS A 37 12.674 -13.706 30.604 1.00 0.00 H new ATOM 0 HA LYS A 37 11.819 -15.021 32.855 1.00 0.00 H new ATOM 0 HB2 LYS A 37 13.811 -12.776 32.419 1.00 0.00 H new ATOM 0 HB3 LYS A 37 13.588 -13.502 33.998 1.00 0.00 H new ATOM 0 HG2 LYS A 37 14.857 -15.273 33.453 1.00 0.00 H new ATOM 0 HG3 LYS A 37 13.920 -15.582 32.004 1.00 0.00 H new ATOM 0 HD2 LYS A 37 15.224 -13.633 30.923 1.00 0.00 H new ATOM 0 HD3 LYS A 37 16.288 -13.705 32.313 1.00 0.00 H new ATOM 0 HE2 LYS A 37 15.677 -16.204 30.717 1.00 0.00 H new ATOM 0 HE3 LYS A 37 16.895 -15.073 30.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 17.868 -16.819 31.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 18.051 -15.320 32.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 16.871 -16.416 32.819 1.00 0.00 H new ATOM 519 N ARG A 38 11.112 -11.791 33.006 1.00 0.00 N ATOM 520 CA ARG A 38 10.276 -10.808 33.684 1.00 0.00 C ATOM 521 C ARG A 38 8.828 -10.906 33.210 1.00 0.00 C ATOM 522 O ARG A 38 7.906 -11.010 34.019 1.00 0.00 O ATOM 523 CB ARG A 38 10.810 -9.396 33.437 1.00 0.00 C ATOM 524 CG ARG A 38 12.322 -9.289 33.549 1.00 0.00 C ATOM 525 CD ARG A 38 12.786 -9.439 34.989 1.00 0.00 C ATOM 526 NE ARG A 38 14.176 -9.027 35.162 1.00 0.00 N ATOM 527 CZ ARG A 38 14.940 -9.423 36.174 1.00 0.00 C ATOM 528 NH1 ARG A 38 14.450 -10.238 37.098 1.00 0.00 N ATOM 529 NH2 ARG A 38 16.196 -9.005 36.263 1.00 0.00 N ATOM 0 H ARG A 38 11.669 -11.414 32.239 1.00 0.00 H new ATOM 0 HA ARG A 38 10.305 -11.019 34.753 1.00 0.00 H new ATOM 0 HB2 ARG A 38 10.504 -9.069 32.443 1.00 0.00 H new ATOM 0 HB3 ARG A 38 10.352 -8.713 34.152 1.00 0.00 H new ATOM 0 HG2 ARG A 38 12.789 -10.058 32.933 1.00 0.00 H new ATOM 0 HG3 ARG A 38 12.650 -8.325 33.159 1.00 0.00 H new ATOM 0 HD2 ARG A 38 12.147 -8.842 35.640 1.00 0.00 H new ATOM 0 HD3 ARG A 38 12.675 -10.478 35.299 1.00 0.00 H new ATOM 0 HE ARG A 38 14.583 -8.401 34.467 1.00 0.00 H new ATOM 0 HH11 ARG A 38 13.485 -10.562 37.032 1.00 0.00 H new ATOM 0 HH12 ARG A 38 15.038 -10.541 37.874 1.00 0.00 H new ATOM 0 HH21 ARG A 38 16.576 -8.379 35.554 1.00 0.00 H new ATOM 0 HH22 ARG A 38 16.781 -9.310 37.041 1.00 0.00 H new ATOM 543 N ARG A 39 8.638 -10.872 31.895 1.00 0.00 N ATOM 544 CA ARG A 39 7.304 -10.956 31.314 1.00 0.00 C ATOM 545 C ARG A 39 6.433 -11.939 32.090 1.00 0.00 C ATOM 546 O ARG A 39 5.304 -11.624 32.465 1.00 0.00 O ATOM 547 CB ARG A 39 7.389 -11.380 29.847 1.00 0.00 C ATOM 548 CG ARG A 39 6.040 -11.706 29.228 1.00 0.00 C ATOM 549 CD ARG A 39 5.973 -13.152 28.763 1.00 0.00 C ATOM 550 NE ARG A 39 5.335 -14.016 29.753 1.00 0.00 N ATOM 551 CZ ARG A 39 5.045 -15.294 29.535 1.00 0.00 C ATOM 552 NH1 ARG A 39 5.336 -15.853 28.369 1.00 0.00 N ATOM 553 NH2 ARG A 39 4.464 -16.015 30.485 1.00 0.00 N ATOM 0 H ARG A 39 9.391 -10.787 31.212 1.00 0.00 H new ATOM 0 HA ARG A 39 6.847 -9.968 31.373 1.00 0.00 H new ATOM 0 HB2 ARG A 39 7.859 -10.581 29.273 1.00 0.00 H new ATOM 0 HB3 ARG A 39 8.036 -12.253 29.767 1.00 0.00 H new ATOM 0 HG2 ARG A 39 5.250 -11.520 29.956 1.00 0.00 H new ATOM 0 HG3 ARG A 39 5.857 -11.042 28.383 1.00 0.00 H new ATOM 0 HD2 ARG A 39 5.421 -13.206 27.825 1.00 0.00 H new ATOM 0 HD3 ARG A 39 6.981 -13.515 28.561 1.00 0.00 H new ATOM 0 HE ARG A 39 5.099 -13.616 30.661 1.00 0.00 H new ATOM 0 HH11 ARG A 39 5.784 -15.302 27.637 1.00 0.00 H new ATOM 0 HH12 ARG A 39 5.112 -16.834 28.204 1.00 0.00 H new ATOM 0 HH21 ARG A 39 4.240 -15.588 31.384 1.00 0.00 H new ATOM 0 HH22 ARG A 39 4.242 -16.996 30.317 1.00 0.00 H new ATOM 567 N LYS A 40 6.966 -13.133 32.327 1.00 0.00 N ATOM 568 CA LYS A 40 6.240 -14.164 33.059 1.00 0.00 C ATOM 569 C LYS A 40 6.066 -13.773 34.523 1.00 0.00 C ATOM 570 O LYS A 40 5.025 -14.033 35.125 1.00 0.00 O ATOM 571 CB LYS A 40 6.976 -15.502 32.961 1.00 0.00 C ATOM 572 CG LYS A 40 7.446 -15.837 31.556 1.00 0.00 C ATOM 573 CD LYS A 40 8.799 -16.528 31.571 1.00 0.00 C ATOM 574 CE LYS A 40 8.652 -18.042 31.564 1.00 0.00 C ATOM 575 NZ LYS A 40 9.970 -18.727 31.468 1.00 0.00 N ATOM 0 H LYS A 40 7.899 -13.411 32.022 1.00 0.00 H new ATOM 0 HA LYS A 40 5.252 -14.266 32.609 1.00 0.00 H new ATOM 0 HB2 LYS A 40 7.838 -15.483 33.628 1.00 0.00 H new ATOM 0 HB3 LYS A 40 6.318 -16.296 33.314 1.00 0.00 H new ATOM 0 HG2 LYS A 40 6.713 -16.481 31.070 1.00 0.00 H new ATOM 0 HG3 LYS A 40 7.510 -14.923 30.965 1.00 0.00 H new ATOM 0 HD2 LYS A 40 9.379 -16.214 30.703 1.00 0.00 H new ATOM 0 HD3 LYS A 40 9.356 -16.220 32.455 1.00 0.00 H new ATOM 0 HE2 LYS A 40 8.142 -18.361 32.473 1.00 0.00 H new ATOM 0 HE3 LYS A 40 8.025 -18.342 30.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 9.827 -19.757 31.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 10.446 -18.442 30.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 10.560 -18.461 32.282 1.00 0.00 H new ATOM 589 N GLU A 41 7.093 -13.145 35.088 1.00 0.00 N ATOM 590 CA GLU A 41 7.052 -12.717 36.482 1.00 0.00 C ATOM 591 C GLU A 41 5.959 -11.674 36.699 1.00 0.00 C ATOM 592 O GLU A 41 5.024 -11.892 37.469 1.00 0.00 O ATOM 593 CB GLU A 41 8.408 -12.147 36.903 1.00 0.00 C ATOM 594 CG GLU A 41 9.333 -13.177 37.530 1.00 0.00 C ATOM 595 CD GLU A 41 8.957 -14.599 37.162 1.00 0.00 C ATOM 596 OE1 GLU A 41 9.016 -14.935 35.960 1.00 0.00 O ATOM 597 OE2 GLU A 41 8.605 -15.375 38.074 1.00 0.00 O ATOM 0 H GLU A 41 7.962 -12.922 34.603 1.00 0.00 H new ATOM 0 HA GLU A 41 6.826 -13.588 37.097 1.00 0.00 H new ATOM 0 HB2 GLU A 41 8.898 -11.715 36.030 1.00 0.00 H new ATOM 0 HB3 GLU A 41 8.247 -11.336 37.613 1.00 0.00 H new ATOM 0 HG2 GLU A 41 10.357 -12.982 37.212 1.00 0.00 H new ATOM 0 HG3 GLU A 41 9.310 -13.068 38.614 1.00 0.00 H new ATOM 604 N TRP A 42 6.086 -10.543 36.016 1.00 0.00 N ATOM 605 CA TRP A 42 5.110 -9.465 36.135 1.00 0.00 C ATOM 606 C TRP A 42 3.691 -10.019 36.182 1.00 0.00 C ATOM 607 O TRP A 42 2.892 -9.636 37.037 1.00 0.00 O ATOM 608 CB TRP A 42 5.252 -8.490 34.965 1.00 0.00 C ATOM 609 CG TRP A 42 6.432 -7.574 35.094 1.00 0.00 C ATOM 610 CD1 TRP A 42 7.735 -7.938 35.277 1.00 0.00 C ATOM 611 CD2 TRP A 42 6.415 -6.143 35.053 1.00 0.00 C ATOM 612 NE1 TRP A 42 8.530 -6.820 35.351 1.00 0.00 N ATOM 613 CE2 TRP A 42 7.743 -5.706 35.216 1.00 0.00 C ATOM 614 CE3 TRP A 42 5.406 -5.189 34.892 1.00 0.00 C ATOM 615 CZ2 TRP A 42 8.087 -4.357 35.223 1.00 0.00 C ATOM 616 CZ3 TRP A 42 5.749 -3.851 34.900 1.00 0.00 C ATOM 617 CH2 TRP A 42 7.080 -3.444 35.064 1.00 0.00 C ATOM 0 H TRP A 42 6.854 -10.348 35.374 1.00 0.00 H new ATOM 0 HA TRP A 42 5.303 -8.934 37.067 1.00 0.00 H new ATOM 0 HB2 TRP A 42 5.341 -9.057 34.038 1.00 0.00 H new ATOM 0 HB3 TRP A 42 4.344 -7.892 34.887 1.00 0.00 H new ATOM 0 HD1 TRP A 42 8.089 -8.956 35.353 1.00 0.00 H new ATOM 0 HE1 TRP A 42 9.541 -6.819 35.485 1.00 0.00 H new ATOM 0 HE3 TRP A 42 4.377 -5.492 34.764 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 9.112 -4.042 35.349 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 4.978 -3.105 34.778 1.00 0.00 H new ATOM 0 HH2 TRP A 42 7.315 -2.390 35.065 1.00 0.00 H new ATOM 628 N VAL A 43 3.382 -10.923 35.257 1.00 0.00 N ATOM 629 CA VAL A 43 2.058 -11.531 35.194 1.00 0.00 C ATOM 630 C VAL A 43 1.815 -12.444 36.391 1.00 0.00 C ATOM 631 O VAL A 43 0.690 -12.565 36.874 1.00 0.00 O ATOM 632 CB VAL A 43 1.874 -12.342 33.898 1.00 0.00 C ATOM 633 CG1 VAL A 43 0.445 -12.851 33.785 1.00 0.00 C ATOM 634 CG2 VAL A 43 2.247 -11.501 32.686 1.00 0.00 C ATOM 0 H VAL A 43 4.031 -11.250 34.541 1.00 0.00 H new ATOM 0 HA VAL A 43 1.334 -10.716 35.210 1.00 0.00 H new ATOM 0 HB VAL A 43 2.540 -13.204 33.932 1.00 0.00 H new ATOM 0 HG11 VAL A 43 0.334 -13.422 32.863 1.00 0.00 H new ATOM 0 HG12 VAL A 43 0.218 -13.491 34.638 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -0.243 -12.005 33.773 1.00 0.00 H new ATOM 0 HG21 VAL A 43 2.111 -12.090 31.779 1.00 0.00 H new ATOM 0 HG22 VAL A 43 1.608 -10.619 32.645 1.00 0.00 H new ATOM 0 HG23 VAL A 43 3.289 -11.191 32.765 1.00 0.00 H new ATOM 644 N ARG A 44 2.879 -13.085 36.864 1.00 0.00 N ATOM 645 CA ARG A 44 2.782 -13.989 38.005 1.00 0.00 C ATOM 646 C ARG A 44 2.689 -13.206 39.311 1.00 0.00 C ATOM 647 O ARG A 44 2.211 -13.721 40.323 1.00 0.00 O ATOM 648 CB ARG A 44 3.989 -14.927 38.043 1.00 0.00 C ATOM 649 CG ARG A 44 4.632 -15.036 39.416 1.00 0.00 C ATOM 650 CD ARG A 44 5.605 -16.202 39.485 1.00 0.00 C ATOM 651 NE ARG A 44 5.676 -16.778 40.826 1.00 0.00 N ATOM 652 CZ ARG A 44 6.090 -18.015 41.073 1.00 0.00 C ATOM 653 NH1 ARG A 44 6.470 -18.803 40.076 1.00 0.00 N ATOM 654 NH2 ARG A 44 6.127 -18.467 42.320 1.00 0.00 N ATOM 0 H ARG A 44 3.818 -12.995 36.475 1.00 0.00 H new ATOM 0 HA ARG A 44 1.874 -14.582 37.892 1.00 0.00 H new ATOM 0 HB2 ARG A 44 3.678 -15.919 37.717 1.00 0.00 H new ATOM 0 HB3 ARG A 44 4.734 -14.576 37.329 1.00 0.00 H new ATOM 0 HG2 ARG A 44 5.156 -14.109 39.648 1.00 0.00 H new ATOM 0 HG3 ARG A 44 3.858 -15.162 40.173 1.00 0.00 H new ATOM 0 HD2 ARG A 44 5.300 -16.971 38.776 1.00 0.00 H new ATOM 0 HD3 ARG A 44 6.596 -15.865 39.182 1.00 0.00 H new ATOM 0 HE ARG A 44 5.392 -16.198 41.615 1.00 0.00 H new ATOM 0 HH11 ARG A 44 6.445 -18.459 39.116 1.00 0.00 H new ATOM 0 HH12 ARG A 44 6.788 -19.753 40.269 1.00 0.00 H new ATOM 0 HH21 ARG A 44 5.837 -17.864 43.090 1.00 0.00 H new ATOM 0 HH22 ARG A 44 6.445 -19.418 42.509 1.00 0.00 H new ATOM 668 N LEU A 45 3.150 -11.961 39.283 1.00 0.00 N ATOM 669 CA LEU A 45 3.121 -11.107 40.466 1.00 0.00 C ATOM 670 C LEU A 45 1.792 -10.366 40.569 1.00 0.00 C ATOM 671 O LEU A 45 1.168 -10.332 41.629 1.00 0.00 O ATOM 672 CB LEU A 45 4.275 -10.105 40.424 1.00 0.00 C ATOM 673 CG LEU A 45 5.669 -10.675 40.688 1.00 0.00 C ATOM 674 CD1 LEU A 45 6.717 -9.912 39.894 1.00 0.00 C ATOM 675 CD2 LEU A 45 5.989 -10.633 42.175 1.00 0.00 C ATOM 0 H LEU A 45 3.549 -11.520 38.454 1.00 0.00 H new ATOM 0 HA LEU A 45 3.231 -11.742 41.345 1.00 0.00 H new ATOM 0 HB2 LEU A 45 4.279 -9.627 39.444 1.00 0.00 H new ATOM 0 HB3 LEU A 45 4.079 -9.324 41.159 1.00 0.00 H new ATOM 0 HG LEU A 45 5.683 -11.715 40.363 1.00 0.00 H new ATOM 0 HD11 LEU A 45 7.703 -10.332 40.095 1.00 0.00 H new ATOM 0 HD12 LEU A 45 6.498 -9.994 38.829 1.00 0.00 H new ATOM 0 HD13 LEU A 45 6.703 -8.862 40.188 1.00 0.00 H new ATOM 0 HD21 LEU A 45 6.985 -11.043 42.345 1.00 0.00 H new ATOM 0 HD22 LEU A 45 5.956 -9.601 42.525 1.00 0.00 H new ATOM 0 HD23 LEU A 45 5.255 -11.225 42.722 1.00 0.00 H new ATOM 687 N VAL A 46 1.363 -9.773 39.458 1.00 0.00 N ATOM 688 CA VAL A 46 0.106 -9.035 39.422 1.00 0.00 C ATOM 689 C VAL A 46 -1.065 -9.924 39.826 1.00 0.00 C ATOM 690 O VAL A 46 -2.084 -9.439 40.318 1.00 0.00 O ATOM 691 CB VAL A 46 -0.164 -8.453 38.022 1.00 0.00 C ATOM 692 CG1 VAL A 46 -0.018 -9.532 36.959 1.00 0.00 C ATOM 693 CG2 VAL A 46 -1.546 -7.821 37.965 1.00 0.00 C ATOM 0 H VAL A 46 1.868 -9.790 38.572 1.00 0.00 H new ATOM 0 HA VAL A 46 0.200 -8.216 40.135 1.00 0.00 H new ATOM 0 HB VAL A 46 0.574 -7.676 37.822 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -0.212 -9.103 35.976 1.00 0.00 H new ATOM 0 HG12 VAL A 46 0.995 -9.934 36.986 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -0.732 -10.333 37.153 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -1.720 -7.415 36.968 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -2.301 -8.576 38.186 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -1.610 -7.019 38.700 1.00 0.00 H new ATOM 703 N ARG A 47 -0.912 -11.227 39.614 1.00 0.00 N ATOM 704 CA ARG A 47 -1.958 -12.184 39.955 1.00 0.00 C ATOM 705 C ARG A 47 -3.226 -11.914 39.151 1.00 0.00 C ATOM 706 O ARG A 47 -4.215 -11.409 39.682 1.00 0.00 O ATOM 707 CB ARG A 47 -2.268 -12.121 41.452 1.00 0.00 C ATOM 708 CG ARG A 47 -1.695 -13.286 42.242 1.00 0.00 C ATOM 709 CD ARG A 47 -0.332 -12.946 42.826 1.00 0.00 C ATOM 710 NE ARG A 47 0.096 -13.925 43.821 1.00 0.00 N ATOM 711 CZ ARG A 47 -0.475 -14.060 45.013 1.00 0.00 C ATOM 712 NH1 ARG A 47 -1.492 -13.282 45.356 1.00 0.00 N ATOM 713 NH2 ARG A 47 -0.028 -14.974 45.865 1.00 0.00 N ATOM 0 H ARG A 47 -0.074 -11.644 39.208 1.00 0.00 H new ATOM 0 HA ARG A 47 -1.597 -13.182 39.707 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -1.873 -11.189 41.857 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -3.349 -12.096 41.590 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -2.380 -13.554 43.046 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -1.607 -14.158 41.594 1.00 0.00 H new ATOM 0 HD2 ARG A 47 0.405 -12.898 42.024 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -0.370 -11.957 43.283 1.00 0.00 H new ATOM 0 HE ARG A 47 0.876 -14.539 43.588 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -1.838 -12.578 44.704 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -1.929 -13.388 46.272 1.00 0.00 H new ATOM 0 HH21 ARG A 47 0.755 -15.574 45.605 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -0.467 -15.077 46.780 1.00 0.00 H new ATOM 727 N ARG A 48 -3.188 -12.253 37.866 1.00 0.00 N ATOM 728 CA ARG A 48 -4.333 -12.045 36.988 1.00 0.00 C ATOM 729 C ARG A 48 -4.469 -13.193 35.991 1.00 0.00 C ATOM 730 O ARG A 48 -4.012 -13.099 34.852 1.00 0.00 O ATOM 731 CB ARG A 48 -4.194 -10.719 36.238 1.00 0.00 C ATOM 732 CG ARG A 48 -4.801 -9.536 36.975 1.00 0.00 C ATOM 733 CD ARG A 48 -4.980 -8.339 36.055 1.00 0.00 C ATOM 734 NE ARG A 48 -5.724 -8.684 34.846 1.00 0.00 N ATOM 735 CZ ARG A 48 -5.854 -7.869 33.805 1.00 0.00 C ATOM 736 NH1 ARG A 48 -5.291 -6.669 33.825 1.00 0.00 N ATOM 737 NH2 ARG A 48 -6.546 -8.255 32.741 1.00 0.00 N ATOM 0 H ARG A 48 -2.377 -12.672 37.411 1.00 0.00 H new ATOM 0 HA ARG A 48 -5.231 -12.013 37.605 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -3.137 -10.521 36.059 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -4.670 -10.812 35.262 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -5.766 -9.823 37.393 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -4.160 -9.260 37.812 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -5.504 -7.546 36.589 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -4.002 -7.945 35.779 1.00 0.00 H new ATOM 0 HE ARG A 48 -6.168 -9.601 34.799 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -4.757 -6.370 34.641 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -5.392 -6.045 33.025 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -6.979 -9.178 32.722 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -6.645 -7.628 31.942 1.00 0.00 H new ATOM 751 N LYS A 49 -5.101 -14.277 36.429 1.00 0.00 N ATOM 752 CA LYS A 49 -5.299 -15.444 35.577 1.00 0.00 C ATOM 753 C LYS A 49 -4.049 -15.733 34.752 1.00 0.00 C ATOM 754 O LYS A 49 -2.938 -15.385 35.148 1.00 0.00 O ATOM 755 CB LYS A 49 -6.496 -15.226 34.649 1.00 0.00 C ATOM 756 CG LYS A 49 -7.694 -14.598 35.339 1.00 0.00 C ATOM 757 CD LYS A 49 -8.539 -13.792 34.366 1.00 0.00 C ATOM 758 CE LYS A 49 -9.440 -12.806 35.094 1.00 0.00 C ATOM 759 NZ LYS A 49 -10.218 -11.962 34.146 1.00 0.00 N ATOM 0 H LYS A 49 -5.485 -14.372 37.369 1.00 0.00 H new ATOM 0 HA LYS A 49 -5.496 -16.303 36.219 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -6.190 -14.589 33.819 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -6.794 -16.184 34.223 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -8.305 -15.379 35.792 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -7.352 -13.952 36.147 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -7.888 -13.252 33.678 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -9.148 -14.468 33.765 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -10.126 -13.351 35.742 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -8.835 -12.167 35.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -10.820 -11.303 34.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -9.564 -11.422 33.544 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -10.815 -12.570 33.550 1.00 0.00 H new ATOM 773 N ASN A 50 -4.239 -16.371 33.601 1.00 0.00 N ATOM 774 CA ASN A 50 -3.126 -16.706 32.720 1.00 0.00 C ATOM 775 C ASN A 50 -2.944 -15.638 31.645 1.00 0.00 C ATOM 776 O ASN A 50 -2.366 -15.898 30.589 1.00 0.00 O ATOM 777 CB ASN A 50 -3.359 -18.069 32.066 1.00 0.00 C ATOM 778 CG ASN A 50 -2.228 -19.042 32.339 1.00 0.00 C ATOM 779 OD1 ASN A 50 -1.202 -19.025 31.657 1.00 0.00 O ATOM 780 ND2 ASN A 50 -2.410 -19.895 33.339 1.00 0.00 N ATOM 0 H ASN A 50 -5.153 -16.666 33.257 1.00 0.00 H new ATOM 0 HA ASN A 50 -2.218 -16.750 33.322 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -4.294 -18.491 32.434 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -3.470 -17.938 30.990 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -1.684 -20.573 33.570 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -3.276 -19.873 33.877 1.00 0.00 H new ATOM 787 N PHE A 51 -3.439 -14.437 31.921 1.00 0.00 N ATOM 788 CA PHE A 51 -3.331 -13.330 30.978 1.00 0.00 C ATOM 789 C PHE A 51 -1.876 -13.088 30.587 1.00 0.00 C ATOM 790 O PHE A 51 -0.956 -13.561 31.254 1.00 0.00 O ATOM 791 CB PHE A 51 -3.926 -12.057 31.584 1.00 0.00 C ATOM 792 CG PHE A 51 -2.902 -11.001 31.886 1.00 0.00 C ATOM 793 CD1 PHE A 51 -2.408 -10.187 30.879 1.00 0.00 C ATOM 794 CD2 PHE A 51 -2.432 -10.822 33.177 1.00 0.00 C ATOM 795 CE1 PHE A 51 -1.465 -9.216 31.155 1.00 0.00 C ATOM 796 CE2 PHE A 51 -1.489 -9.852 33.459 1.00 0.00 C ATOM 797 CZ PHE A 51 -1.005 -9.047 32.447 1.00 0.00 C ATOM 0 H PHE A 51 -3.919 -14.205 32.790 1.00 0.00 H new ATOM 0 HA PHE A 51 -3.891 -13.594 30.081 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -4.666 -11.648 30.896 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -4.453 -12.314 32.503 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -2.764 -10.313 29.867 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -2.807 -11.448 33.973 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -1.087 -8.589 30.361 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -1.131 -9.724 34.470 1.00 0.00 H new ATOM 0 HZ PHE A 51 -0.269 -8.287 32.665 1.00 0.00 H new ATOM 807 N VAL A 52 -1.676 -12.350 29.500 1.00 0.00 N ATOM 808 CA VAL A 52 -0.334 -12.045 29.019 1.00 0.00 C ATOM 809 C VAL A 52 -0.274 -10.649 28.408 1.00 0.00 C ATOM 810 O VAL A 52 -1.224 -10.176 27.784 1.00 0.00 O ATOM 811 CB VAL A 52 0.134 -13.073 27.973 1.00 0.00 C ATOM 812 CG1 VAL A 52 0.689 -12.369 26.744 1.00 0.00 C ATOM 813 CG2 VAL A 52 1.171 -14.010 28.574 1.00 0.00 C ATOM 0 H VAL A 52 -2.427 -11.952 28.936 1.00 0.00 H new ATOM 0 HA VAL A 52 0.330 -12.089 29.882 1.00 0.00 H new ATOM 0 HB VAL A 52 -0.725 -13.669 27.664 1.00 0.00 H new ATOM 0 HG11 VAL A 52 1.015 -13.111 26.016 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -0.086 -11.743 26.302 1.00 0.00 H new ATOM 0 HG13 VAL A 52 1.537 -11.747 27.032 1.00 0.00 H new ATOM 0 HG21 VAL A 52 1.491 -14.730 27.821 1.00 0.00 H new ATOM 0 HG22 VAL A 52 2.031 -13.432 28.912 1.00 0.00 H new ATOM 0 HG23 VAL A 52 0.735 -14.540 29.421 1.00 0.00 H new ATOM 823 N PRO A 53 0.870 -9.973 28.589 1.00 0.00 N ATOM 824 CA PRO A 53 1.083 -8.622 28.062 1.00 0.00 C ATOM 825 C PRO A 53 1.200 -8.605 26.542 1.00 0.00 C ATOM 826 O PRO A 53 1.513 -9.620 25.922 1.00 0.00 O ATOM 827 CB PRO A 53 2.405 -8.194 28.705 1.00 0.00 C ATOM 828 CG PRO A 53 3.115 -9.471 28.996 1.00 0.00 C ATOM 829 CD PRO A 53 2.044 -10.475 29.323 1.00 0.00 C ATOM 0 HA PRO A 53 0.248 -7.959 28.290 1.00 0.00 H new ATOM 0 HB2 PRO A 53 2.986 -7.562 28.033 1.00 0.00 H new ATOM 0 HB3 PRO A 53 2.235 -7.619 29.615 1.00 0.00 H new ATOM 0 HG2 PRO A 53 3.704 -9.794 28.138 1.00 0.00 H new ATOM 0 HG3 PRO A 53 3.806 -9.352 29.830 1.00 0.00 H new ATOM 0 HD2 PRO A 53 2.321 -11.478 28.999 1.00 0.00 H new ATOM 0 HD3 PRO A 53 1.856 -10.527 30.395 1.00 0.00 H new ATOM 837 N GLY A 54 0.946 -7.443 25.946 1.00 0.00 N ATOM 838 CA GLY A 54 1.028 -7.316 24.503 1.00 0.00 C ATOM 839 C GLY A 54 -0.016 -6.370 23.944 1.00 0.00 C ATOM 840 O GLY A 54 -0.536 -6.584 22.848 1.00 0.00 O ATOM 0 H GLY A 54 0.685 -6.588 26.437 1.00 0.00 H new ATOM 0 HA2 GLY A 54 2.021 -6.960 24.229 1.00 0.00 H new ATOM 0 HA3 GLY A 54 0.905 -8.298 24.047 1.00 0.00 H new ATOM 844 N LYS A 55 -0.325 -5.321 24.697 1.00 0.00 N ATOM 845 CA LYS A 55 -1.315 -4.338 24.272 1.00 0.00 C ATOM 846 C LYS A 55 -1.085 -2.999 24.967 1.00 0.00 C ATOM 847 O LYS A 55 -0.318 -2.163 24.488 1.00 0.00 O ATOM 848 CB LYS A 55 -2.728 -4.844 24.571 1.00 0.00 C ATOM 849 CG LYS A 55 -3.168 -5.985 23.671 1.00 0.00 C ATOM 850 CD LYS A 55 -4.682 -6.100 23.616 1.00 0.00 C ATOM 851 CE LYS A 55 -5.257 -5.336 22.434 1.00 0.00 C ATOM 852 NZ LYS A 55 -6.744 -5.418 22.391 1.00 0.00 N ATOM 0 H LYS A 55 0.096 -5.129 25.606 1.00 0.00 H new ATOM 0 HA LYS A 55 -1.208 -4.193 23.197 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -2.775 -5.172 25.609 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -3.431 -4.017 24.466 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -2.777 -5.828 22.666 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -2.744 -6.921 24.035 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -4.966 -7.150 23.544 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -5.111 -5.716 24.542 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -4.952 -4.291 22.494 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -4.844 -5.736 21.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -7.098 -4.885 21.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -7.035 -6.413 22.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -7.139 -5.013 23.264 1.00 0.00 H new ATOM 866 N HIS A 56 -1.754 -2.803 26.099 1.00 0.00 N ATOM 867 CA HIS A 56 -1.621 -1.566 26.860 1.00 0.00 C ATOM 868 C HIS A 56 -1.252 -1.859 28.312 1.00 0.00 C ATOM 869 O HIS A 56 -0.993 -0.944 29.095 1.00 0.00 O ATOM 870 CB HIS A 56 -2.922 -0.765 26.804 1.00 0.00 C ATOM 871 CG HIS A 56 -3.873 -1.241 25.750 1.00 0.00 C ATOM 872 ND1 HIS A 56 -3.758 -0.896 24.420 1.00 0.00 N ATOM 873 CD2 HIS A 56 -4.961 -2.042 25.836 1.00 0.00 C ATOM 874 CE1 HIS A 56 -4.734 -1.463 23.734 1.00 0.00 C ATOM 875 NE2 HIS A 56 -5.478 -2.164 24.570 1.00 0.00 N ATOM 0 H HIS A 56 -2.393 -3.484 26.509 1.00 0.00 H new ATOM 0 HA HIS A 56 -0.821 -0.977 26.412 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -3.413 -0.817 27.776 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -2.686 0.284 26.622 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -5.350 -2.500 26.734 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -4.896 -1.369 22.670 1.00 0.00 H new ATOM 0 HE2 HIS A 56 -6.303 -2.708 24.316 1.00 0.00 H new ATOM 883 N THR A 57 -1.231 -3.140 28.665 1.00 0.00 N ATOM 884 CA THR A 57 -0.896 -3.553 30.022 1.00 0.00 C ATOM 885 C THR A 57 0.227 -2.697 30.596 1.00 0.00 C ATOM 886 O THR A 57 1.350 -2.708 30.091 1.00 0.00 O ATOM 887 CB THR A 57 -0.473 -5.034 30.070 1.00 0.00 C ATOM 888 OG1 THR A 57 -1.036 -5.740 28.959 1.00 0.00 O ATOM 889 CG2 THR A 57 -0.923 -5.683 31.370 1.00 0.00 C ATOM 0 H THR A 57 -1.442 -3.910 28.030 1.00 0.00 H new ATOM 0 HA THR A 57 -1.795 -3.419 30.624 1.00 0.00 H new ATOM 0 HB THR A 57 0.615 -5.081 30.016 1.00 0.00 H new ATOM 0 HG1 THR A 57 -1.336 -6.626 29.252 1.00 0.00 H new ATOM 0 HG21 THR A 57 -0.613 -6.728 31.381 1.00 0.00 H new ATOM 0 HG22 THR A 57 -0.470 -5.161 32.213 1.00 0.00 H new ATOM 0 HG23 THR A 57 -2.009 -5.625 31.449 1.00 0.00 H new ATOM 897 N PHE A 58 -0.082 -1.957 31.655 1.00 0.00 N ATOM 898 CA PHE A 58 0.902 -1.094 32.298 1.00 0.00 C ATOM 899 C PHE A 58 0.808 -1.200 33.817 1.00 0.00 C ATOM 900 O PHE A 58 -0.181 -1.697 34.357 1.00 0.00 O ATOM 901 CB PHE A 58 0.700 0.359 31.863 1.00 0.00 C ATOM 902 CG PHE A 58 0.358 1.282 32.998 1.00 0.00 C ATOM 903 CD1 PHE A 58 1.358 1.849 33.772 1.00 0.00 C ATOM 904 CD2 PHE A 58 -0.962 1.583 33.291 1.00 0.00 C ATOM 905 CE1 PHE A 58 1.046 2.698 34.817 1.00 0.00 C ATOM 906 CE2 PHE A 58 -1.280 2.432 34.334 1.00 0.00 C ATOM 907 CZ PHE A 58 -0.274 2.991 35.098 1.00 0.00 C ATOM 0 H PHE A 58 -1.006 -1.937 32.086 1.00 0.00 H new ATOM 0 HA PHE A 58 1.894 -1.423 31.989 1.00 0.00 H new ATOM 0 HB2 PHE A 58 1.609 0.714 31.377 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -0.096 0.400 31.119 1.00 0.00 H new ATOM 0 HD1 PHE A 58 2.392 1.625 33.556 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -1.752 1.149 32.697 1.00 0.00 H new ATOM 0 HE1 PHE A 58 1.834 3.132 35.414 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -2.313 2.658 34.551 1.00 0.00 H new ATOM 0 HZ PHE A 58 -0.519 3.656 35.913 1.00 0.00 H new ATOM 917 N LEU A 59 1.845 -0.730 34.502 1.00 0.00 N ATOM 918 CA LEU A 59 1.881 -0.771 35.960 1.00 0.00 C ATOM 919 C LEU A 59 2.409 0.541 36.530 1.00 0.00 C ATOM 920 O LEU A 59 3.356 1.124 36.000 1.00 0.00 O ATOM 921 CB LEU A 59 2.754 -1.934 36.435 1.00 0.00 C ATOM 922 CG LEU A 59 2.093 -3.314 36.433 1.00 0.00 C ATOM 923 CD1 LEU A 59 2.942 -4.313 37.205 1.00 0.00 C ATOM 924 CD2 LEU A 59 0.692 -3.235 37.022 1.00 0.00 C ATOM 0 H LEU A 59 2.672 -0.316 34.071 1.00 0.00 H new ATOM 0 HA LEU A 59 0.862 -0.917 36.320 1.00 0.00 H new ATOM 0 HB2 LEU A 59 3.642 -1.977 35.804 1.00 0.00 H new ATOM 0 HB3 LEU A 59 3.094 -1.717 37.448 1.00 0.00 H new ATOM 0 HG LEU A 59 2.013 -3.656 35.401 1.00 0.00 H new ATOM 0 HD11 LEU A 59 2.457 -5.289 37.193 1.00 0.00 H new ATOM 0 HD12 LEU A 59 3.925 -4.391 36.740 1.00 0.00 H new ATOM 0 HD13 LEU A 59 3.054 -3.976 38.236 1.00 0.00 H new ATOM 0 HD21 LEU A 59 0.237 -4.225 37.013 1.00 0.00 H new ATOM 0 HD22 LEU A 59 0.749 -2.871 38.048 1.00 0.00 H new ATOM 0 HD23 LEU A 59 0.086 -2.551 36.428 1.00 0.00 H new ATOM 936 N CYS A 60 1.792 1.001 37.613 1.00 0.00 N ATOM 937 CA CYS A 60 2.200 2.244 38.256 1.00 0.00 C ATOM 938 C CYS A 60 3.632 2.144 38.774 1.00 0.00 C ATOM 939 O CYS A 60 4.319 1.149 38.542 1.00 0.00 O ATOM 940 CB CYS A 60 1.252 2.582 39.408 1.00 0.00 C ATOM 941 SG CYS A 60 -0.514 2.436 38.985 1.00 0.00 S ATOM 0 H CYS A 60 1.007 0.531 38.064 1.00 0.00 H new ATOM 0 HA CYS A 60 2.156 3.040 37.513 1.00 0.00 H new ATOM 0 HB2 CYS A 60 1.469 1.923 40.248 1.00 0.00 H new ATOM 0 HB3 CYS A 60 1.452 3.600 39.742 1.00 0.00 H new ATOM 0 HG CYS A 60 -1.233 2.929 39.949 1.00 0.00 H new ATOM 946 N SER A 61 4.075 3.182 39.476 1.00 0.00 N ATOM 947 CA SER A 61 5.426 3.213 40.024 1.00 0.00 C ATOM 948 C SER A 61 5.417 2.875 41.512 1.00 0.00 C ATOM 949 O SER A 61 6.439 2.489 42.080 1.00 0.00 O ATOM 950 CB SER A 61 6.056 4.590 39.807 1.00 0.00 C ATOM 951 OG SER A 61 6.374 5.206 41.042 1.00 0.00 O ATOM 0 H SER A 61 3.518 4.012 39.679 1.00 0.00 H new ATOM 0 HA SER A 61 6.020 2.463 39.502 1.00 0.00 H new ATOM 0 HB2 SER A 61 6.959 4.489 39.204 1.00 0.00 H new ATOM 0 HB3 SER A 61 5.368 5.224 39.247 1.00 0.00 H new ATOM 0 HG SER A 61 6.777 6.084 40.876 1.00 0.00 H new ATOM 957 N LYS A 62 4.254 3.022 42.138 1.00 0.00 N ATOM 958 CA LYS A 62 4.108 2.732 43.560 1.00 0.00 C ATOM 959 C LYS A 62 4.442 1.273 43.855 1.00 0.00 C ATOM 960 O LYS A 62 4.774 0.919 44.986 1.00 0.00 O ATOM 961 CB LYS A 62 2.682 3.043 44.021 1.00 0.00 C ATOM 962 CG LYS A 62 2.324 4.517 43.939 1.00 0.00 C ATOM 963 CD LYS A 62 0.837 4.717 43.701 1.00 0.00 C ATOM 964 CE LYS A 62 0.385 6.103 44.135 1.00 0.00 C ATOM 965 NZ LYS A 62 -0.379 6.063 45.413 1.00 0.00 N ATOM 0 H LYS A 62 3.399 3.340 41.683 1.00 0.00 H new ATOM 0 HA LYS A 62 4.807 3.364 44.108 1.00 0.00 H new ATOM 0 HB2 LYS A 62 1.980 2.473 43.413 1.00 0.00 H new ATOM 0 HB3 LYS A 62 2.560 2.705 45.050 1.00 0.00 H new ATOM 0 HG2 LYS A 62 2.616 5.015 44.864 1.00 0.00 H new ATOM 0 HG3 LYS A 62 2.889 4.985 43.133 1.00 0.00 H new ATOM 0 HD2 LYS A 62 0.614 4.575 42.643 1.00 0.00 H new ATOM 0 HD3 LYS A 62 0.275 3.961 44.249 1.00 0.00 H new ATOM 0 HE2 LYS A 62 1.255 6.749 44.252 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -0.236 6.543 43.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -0.669 7.027 45.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -1.223 5.468 45.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 0.221 5.666 46.164 1.00 0.00 H new ATOM 979 N HIS A 63 4.354 0.432 42.829 1.00 0.00 N ATOM 980 CA HIS A 63 4.649 -0.989 42.979 1.00 0.00 C ATOM 981 C HIS A 63 6.155 -1.229 43.018 1.00 0.00 C ATOM 982 O HIS A 63 6.636 -2.105 43.738 1.00 0.00 O ATOM 983 CB HIS A 63 4.024 -1.784 41.833 1.00 0.00 C ATOM 984 CG HIS A 63 2.575 -1.475 41.610 1.00 0.00 C ATOM 985 ND1 HIS A 63 1.559 -2.077 42.322 1.00 0.00 N ATOM 986 CD2 HIS A 63 1.975 -0.621 40.749 1.00 0.00 C ATOM 987 CE1 HIS A 63 0.396 -1.607 41.907 1.00 0.00 C ATOM 988 NE2 HIS A 63 0.621 -0.721 40.953 1.00 0.00 N ATOM 0 H HIS A 63 4.081 0.709 41.886 1.00 0.00 H new ATOM 0 HA HIS A 63 4.220 -1.327 43.922 1.00 0.00 H new ATOM 0 HB2 HIS A 63 4.576 -1.579 40.916 1.00 0.00 H new ATOM 0 HB3 HIS A 63 4.132 -2.849 42.039 1.00 0.00 H new ATOM 0 HD2 HIS A 63 2.469 0.020 40.034 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -0.574 -1.898 42.284 1.00 0.00 H new ATOM 0 HE2 HIS A 63 -0.095 -0.197 40.450 1.00 0.00 H new ATOM 996 N PHE A 64 6.895 -0.447 42.240 1.00 0.00 N ATOM 997 CA PHE A 64 8.347 -0.576 42.184 1.00 0.00 C ATOM 998 C PHE A 64 9.020 0.468 43.070 1.00 0.00 C ATOM 999 O PHE A 64 8.632 1.636 43.074 1.00 0.00 O ATOM 1000 CB PHE A 64 8.838 -0.431 40.742 1.00 0.00 C ATOM 1001 CG PHE A 64 8.130 -1.335 39.774 1.00 0.00 C ATOM 1002 CD1 PHE A 64 6.874 -1.006 39.291 1.00 0.00 C ATOM 1003 CD2 PHE A 64 8.720 -2.514 39.348 1.00 0.00 C ATOM 1004 CE1 PHE A 64 6.220 -1.835 38.399 1.00 0.00 C ATOM 1005 CE2 PHE A 64 8.071 -3.346 38.456 1.00 0.00 C ATOM 1006 CZ PHE A 64 6.819 -3.007 37.982 1.00 0.00 C ATOM 0 H PHE A 64 6.513 0.283 41.639 1.00 0.00 H new ATOM 0 HA PHE A 64 8.613 -1.566 42.553 1.00 0.00 H new ATOM 0 HB2 PHE A 64 8.706 0.603 40.424 1.00 0.00 H new ATOM 0 HB3 PHE A 64 9.907 -0.641 40.708 1.00 0.00 H new ATOM 0 HD1 PHE A 64 6.400 -0.091 39.615 1.00 0.00 H new ATOM 0 HD2 PHE A 64 9.698 -2.786 39.717 1.00 0.00 H new ATOM 0 HE1 PHE A 64 5.242 -1.566 38.029 1.00 0.00 H new ATOM 0 HE2 PHE A 64 8.543 -4.261 38.130 1.00 0.00 H new ATOM 0 HZ PHE A 64 6.309 -3.657 37.286 1.00 0.00 H new ATOM 1016 N GLU A 65 10.030 0.037 43.820 1.00 0.00 N ATOM 1017 CA GLU A 65 10.756 0.935 44.711 1.00 0.00 C ATOM 1018 C GLU A 65 11.455 2.038 43.921 1.00 0.00 C ATOM 1019 O GLU A 65 10.843 3.045 43.567 1.00 0.00 O ATOM 1020 CB GLU A 65 11.783 0.152 45.532 1.00 0.00 C ATOM 1021 CG GLU A 65 11.177 -0.600 46.706 1.00 0.00 C ATOM 1022 CD GLU A 65 12.109 -1.658 47.264 1.00 0.00 C ATOM 1023 OE1 GLU A 65 12.958 -1.312 48.112 1.00 0.00 O ATOM 1024 OE2 GLU A 65 11.990 -2.831 46.852 1.00 0.00 O ATOM 0 H GLU A 65 10.364 -0.927 43.828 1.00 0.00 H new ATOM 0 HA GLU A 65 10.036 1.397 45.386 1.00 0.00 H new ATOM 0 HB2 GLU A 65 12.292 -0.558 44.880 1.00 0.00 H new ATOM 0 HB3 GLU A 65 12.540 0.842 45.905 1.00 0.00 H new ATOM 0 HG2 GLU A 65 10.924 0.108 47.495 1.00 0.00 H new ATOM 0 HG3 GLU A 65 10.246 -1.071 46.390 1.00 0.00 H new ATOM 1031 N ALA A 66 12.740 1.840 43.649 1.00 0.00 N ATOM 1032 CA ALA A 66 13.522 2.816 42.901 1.00 0.00 C ATOM 1033 C ALA A 66 14.638 2.138 42.113 1.00 0.00 C ATOM 1034 O ALA A 66 14.908 2.497 40.967 1.00 0.00 O ATOM 1035 CB ALA A 66 14.100 3.863 43.842 1.00 0.00 C ATOM 0 H ALA A 66 13.262 1.012 43.936 1.00 0.00 H new ATOM 0 HA ALA A 66 12.858 3.308 42.191 1.00 0.00 H new ATOM 0 HB1 ALA A 66 14.682 4.585 43.269 1.00 0.00 H new ATOM 0 HB2 ALA A 66 13.288 4.377 44.357 1.00 0.00 H new ATOM 0 HB3 ALA A 66 14.745 3.377 44.575 1.00 0.00 H new ATOM 1041 N SER A 67 15.283 1.156 42.734 1.00 0.00 N ATOM 1042 CA SER A 67 16.373 0.431 42.092 1.00 0.00 C ATOM 1043 C SER A 67 15.879 -0.300 40.847 1.00 0.00 C ATOM 1044 O SER A 67 16.673 -0.843 40.077 1.00 0.00 O ATOM 1045 CB SER A 67 16.995 -0.568 43.070 1.00 0.00 C ATOM 1046 OG SER A 67 18.180 -0.047 43.646 1.00 0.00 O ATOM 0 H SER A 67 15.070 0.844 43.681 1.00 0.00 H new ATOM 0 HA SER A 67 17.131 1.155 41.792 1.00 0.00 H new ATOM 0 HB2 SER A 67 16.279 -0.806 43.856 1.00 0.00 H new ATOM 0 HB3 SER A 67 17.219 -1.500 42.550 1.00 0.00 H new ATOM 0 HG SER A 67 18.557 -0.703 44.268 1.00 0.00 H new ATOM 1052 N CYS A 68 14.565 -0.309 40.656 1.00 0.00 N ATOM 1053 CA CYS A 68 13.964 -0.974 39.505 1.00 0.00 C ATOM 1054 C CYS A 68 13.876 -0.025 38.314 1.00 0.00 C ATOM 1055 O CYS A 68 13.524 -0.432 37.207 1.00 0.00 O ATOM 1056 CB CYS A 68 12.571 -1.495 39.861 1.00 0.00 C ATOM 1057 SG CYS A 68 12.579 -2.949 40.936 1.00 0.00 S ATOM 0 H CYS A 68 13.895 0.136 41.283 1.00 0.00 H new ATOM 0 HA CYS A 68 14.599 -1.816 39.230 1.00 0.00 H new ATOM 0 HB2 CYS A 68 12.011 -0.698 40.350 1.00 0.00 H new ATOM 0 HB3 CYS A 68 12.040 -1.740 38.941 1.00 0.00 H new ATOM 0 HG CYS A 68 11.356 -3.313 41.182 1.00 0.00 H new ATOM 1063 N PHE A 69 14.198 1.243 38.550 1.00 0.00 N ATOM 1064 CA PHE A 69 14.153 2.251 37.497 1.00 0.00 C ATOM 1065 C PHE A 69 15.559 2.716 37.129 1.00 0.00 C ATOM 1066 O PHE A 69 16.550 2.197 37.642 1.00 0.00 O ATOM 1067 CB PHE A 69 13.309 3.447 37.943 1.00 0.00 C ATOM 1068 CG PHE A 69 11.883 3.091 38.254 1.00 0.00 C ATOM 1069 CD1 PHE A 69 10.936 3.021 37.245 1.00 0.00 C ATOM 1070 CD2 PHE A 69 11.490 2.826 39.556 1.00 0.00 C ATOM 1071 CE1 PHE A 69 9.624 2.695 37.529 1.00 0.00 C ATOM 1072 CE2 PHE A 69 10.179 2.499 39.846 1.00 0.00 C ATOM 1073 CZ PHE A 69 9.245 2.432 38.831 1.00 0.00 C ATOM 0 H PHE A 69 14.493 1.596 39.460 1.00 0.00 H new ATOM 0 HA PHE A 69 13.696 1.800 36.616 1.00 0.00 H new ATOM 0 HB2 PHE A 69 13.765 3.894 38.827 1.00 0.00 H new ATOM 0 HB3 PHE A 69 13.324 4.204 37.159 1.00 0.00 H new ATOM 0 HD1 PHE A 69 11.227 3.224 36.225 1.00 0.00 H new ATOM 0 HD2 PHE A 69 12.217 2.876 40.353 1.00 0.00 H new ATOM 0 HE1 PHE A 69 8.895 2.646 36.734 1.00 0.00 H new ATOM 0 HE2 PHE A 69 9.885 2.296 40.865 1.00 0.00 H new ATOM 0 HZ PHE A 69 8.220 2.174 39.055 1.00 0.00 H new ATOM 1083 N ASP A 70 15.636 3.697 36.236 1.00 0.00 N ATOM 1084 CA ASP A 70 16.920 4.233 35.799 1.00 0.00 C ATOM 1085 C ASP A 70 17.048 5.707 36.170 1.00 0.00 C ATOM 1086 O ASP A 70 16.616 6.586 35.424 1.00 0.00 O ATOM 1087 CB ASP A 70 17.081 4.059 34.288 1.00 0.00 C ATOM 1088 CG ASP A 70 18.456 3.546 33.907 1.00 0.00 C ATOM 1089 OD1 ASP A 70 19.147 2.993 34.788 1.00 0.00 O ATOM 1090 OD2 ASP A 70 18.842 3.699 32.729 1.00 0.00 O ATOM 0 H ASP A 70 14.825 4.137 35.801 1.00 0.00 H new ATOM 0 HA ASP A 70 17.709 3.679 36.307 1.00 0.00 H new ATOM 0 HB2 ASP A 70 16.324 3.366 33.922 1.00 0.00 H new ATOM 0 HB3 ASP A 70 16.903 5.014 33.794 1.00 0.00 H new ATOM 1095 N LEU A 71 17.644 5.970 37.328 1.00 0.00 N ATOM 1096 CA LEU A 71 17.828 7.338 37.800 1.00 0.00 C ATOM 1097 C LEU A 71 19.242 7.830 37.504 1.00 0.00 C ATOM 1098 O LEU A 71 19.457 9.015 37.244 1.00 0.00 O ATOM 1099 CB LEU A 71 17.551 7.423 39.302 1.00 0.00 C ATOM 1100 CG LEU A 71 16.288 6.714 39.791 1.00 0.00 C ATOM 1101 CD1 LEU A 71 16.455 5.205 39.706 1.00 0.00 C ATOM 1102 CD2 LEU A 71 15.957 7.136 41.216 1.00 0.00 C ATOM 0 H LEU A 71 18.008 5.254 37.957 1.00 0.00 H new ATOM 0 HA LEU A 71 17.121 7.977 37.270 1.00 0.00 H new ATOM 0 HB2 LEU A 71 18.407 7.006 39.833 1.00 0.00 H new ATOM 0 HB3 LEU A 71 17.484 8.475 39.580 1.00 0.00 H new ATOM 0 HG LEU A 71 15.459 7.004 39.145 1.00 0.00 H new ATOM 0 HD11 LEU A 71 15.546 4.718 40.058 1.00 0.00 H new ATOM 0 HD12 LEU A 71 16.643 4.917 38.672 1.00 0.00 H new ATOM 0 HD13 LEU A 71 17.296 4.896 40.327 1.00 0.00 H new ATOM 0 HD21 LEU A 71 15.055 6.622 41.548 1.00 0.00 H new ATOM 0 HD22 LEU A 71 16.786 6.876 41.874 1.00 0.00 H new ATOM 0 HD23 LEU A 71 15.793 8.213 41.248 1.00 0.00 H new ATOM 1152 N THR A 75 16.404 11.143 34.240 1.00 0.00 N ATOM 1153 CA THR A 75 15.009 10.830 34.522 1.00 0.00 C ATOM 1154 C THR A 75 14.875 9.466 35.190 1.00 0.00 C ATOM 1155 O THR A 75 15.863 8.887 35.642 1.00 0.00 O ATOM 1156 CB THR A 75 14.159 10.845 33.237 1.00 0.00 C ATOM 1157 OG1 THR A 75 12.767 10.829 33.570 1.00 0.00 O ATOM 1158 CG2 THR A 75 14.489 9.649 32.356 1.00 0.00 C ATOM 0 HA THR A 75 14.643 11.601 35.200 1.00 0.00 H new ATOM 0 HB THR A 75 14.389 11.757 32.686 1.00 0.00 H new ATOM 0 HG1 THR A 75 12.234 10.840 32.748 1.00 0.00 H new ATOM 0 HG21 THR A 75 13.877 9.681 31.455 1.00 0.00 H new ATOM 0 HG22 THR A 75 15.543 9.680 32.080 1.00 0.00 H new ATOM 0 HG23 THR A 75 14.284 8.728 32.901 1.00 0.00 H new ATOM 1166 N ARG A 76 13.649 8.958 35.248 1.00 0.00 N ATOM 1167 CA ARG A 76 13.387 7.662 35.861 1.00 0.00 C ATOM 1168 C ARG A 76 12.719 6.716 34.868 1.00 0.00 C ATOM 1169 O ARG A 76 11.564 6.913 34.488 1.00 0.00 O ATOM 1170 CB ARG A 76 12.502 7.829 37.098 1.00 0.00 C ATOM 1171 CG ARG A 76 12.954 6.998 38.287 1.00 0.00 C ATOM 1172 CD ARG A 76 11.791 6.248 38.918 1.00 0.00 C ATOM 1173 NE ARG A 76 10.799 7.155 39.487 1.00 0.00 N ATOM 1174 CZ ARG A 76 9.836 6.766 40.315 1.00 0.00 C ATOM 1175 NH1 ARG A 76 9.737 5.492 40.670 1.00 0.00 N ATOM 1176 NH2 ARG A 76 8.970 7.651 40.791 1.00 0.00 N ATOM 0 H ARG A 76 12.821 9.424 34.878 1.00 0.00 H new ATOM 0 HA ARG A 76 14.342 7.230 36.161 1.00 0.00 H new ATOM 0 HB2 ARG A 76 12.488 8.880 37.385 1.00 0.00 H new ATOM 0 HB3 ARG A 76 11.479 7.555 36.842 1.00 0.00 H new ATOM 0 HG2 ARG A 76 13.716 6.287 37.967 1.00 0.00 H new ATOM 0 HG3 ARG A 76 13.416 7.647 39.031 1.00 0.00 H new ATOM 0 HD2 ARG A 76 11.316 5.617 38.167 1.00 0.00 H new ATOM 0 HD3 ARG A 76 12.167 5.586 39.698 1.00 0.00 H new ATOM 0 HE ARG A 76 10.848 8.142 39.235 1.00 0.00 H new ATOM 0 HH11 ARG A 76 10.401 4.808 40.307 1.00 0.00 H new ATOM 0 HH12 ARG A 76 8.997 5.196 41.306 1.00 0.00 H new ATOM 0 HH21 ARG A 76 9.043 8.632 40.521 1.00 0.00 H new ATOM 0 HH22 ARG A 76 8.231 7.350 41.427 1.00 0.00 H new ATOM 1190 N ARG A 77 13.452 5.688 34.452 1.00 0.00 N ATOM 1191 CA ARG A 77 12.931 4.713 33.503 1.00 0.00 C ATOM 1192 C ARG A 77 12.965 3.306 34.094 1.00 0.00 C ATOM 1193 O ARG A 77 14.000 2.852 34.584 1.00 0.00 O ATOM 1194 CB ARG A 77 13.740 4.751 32.204 1.00 0.00 C ATOM 1195 CG ARG A 77 13.624 6.067 31.454 1.00 0.00 C ATOM 1196 CD ARG A 77 14.645 6.160 30.331 1.00 0.00 C ATOM 1197 NE ARG A 77 15.061 7.538 30.082 1.00 0.00 N ATOM 1198 CZ ARG A 77 16.202 7.864 29.485 1.00 0.00 C ATOM 1199 NH1 ARG A 77 17.036 6.918 29.078 1.00 0.00 N ATOM 1200 NH2 ARG A 77 16.511 9.141 29.294 1.00 0.00 N ATOM 0 H ARG A 77 14.409 5.509 34.758 1.00 0.00 H new ATOM 0 HA ARG A 77 11.895 4.973 33.286 1.00 0.00 H new ATOM 0 HB2 ARG A 77 14.789 4.564 32.433 1.00 0.00 H new ATOM 0 HB3 ARG A 77 13.407 3.942 31.554 1.00 0.00 H new ATOM 0 HG2 ARG A 77 12.619 6.165 31.043 1.00 0.00 H new ATOM 0 HG3 ARG A 77 13.767 6.896 32.147 1.00 0.00 H new ATOM 0 HD2 ARG A 77 15.518 5.558 30.584 1.00 0.00 H new ATOM 0 HD3 ARG A 77 14.221 5.739 29.419 1.00 0.00 H new ATOM 0 HE ARG A 77 14.442 8.291 30.383 1.00 0.00 H new ATOM 0 HH11 ARG A 77 16.803 5.936 29.223 1.00 0.00 H new ATOM 0 HH12 ARG A 77 17.911 7.172 28.620 1.00 0.00 H new ATOM 0 HH21 ARG A 77 15.872 9.872 29.606 1.00 0.00 H new ATOM 0 HH22 ARG A 77 17.387 9.391 28.836 1.00 0.00 H new ATOM 1214 N LEU A 78 11.828 2.622 34.046 1.00 0.00 N ATOM 1215 CA LEU A 78 11.726 1.267 34.577 1.00 0.00 C ATOM 1216 C LEU A 78 12.637 0.313 33.811 1.00 0.00 C ATOM 1217 O LEU A 78 12.415 0.038 32.632 1.00 0.00 O ATOM 1218 CB LEU A 78 10.279 0.777 34.506 1.00 0.00 C ATOM 1219 CG LEU A 78 9.975 -0.527 35.243 1.00 0.00 C ATOM 1220 CD1 LEU A 78 10.932 -1.624 34.803 1.00 0.00 C ATOM 1221 CD2 LEU A 78 10.055 -0.320 36.749 1.00 0.00 C ATOM 0 H LEU A 78 10.963 2.983 33.645 1.00 0.00 H new ATOM 0 HA LEU A 78 12.045 1.286 35.619 1.00 0.00 H new ATOM 0 HB2 LEU A 78 9.632 1.557 34.908 1.00 0.00 H new ATOM 0 HB3 LEU A 78 10.011 0.649 33.457 1.00 0.00 H new ATOM 0 HG LEU A 78 8.960 -0.836 34.992 1.00 0.00 H new ATOM 0 HD11 LEU A 78 10.701 -2.545 35.338 1.00 0.00 H new ATOM 0 HD12 LEU A 78 10.826 -1.791 33.731 1.00 0.00 H new ATOM 0 HD13 LEU A 78 11.956 -1.324 35.024 1.00 0.00 H new ATOM 0 HD21 LEU A 78 9.836 -1.259 37.257 1.00 0.00 H new ATOM 0 HD22 LEU A 78 11.058 0.013 37.018 1.00 0.00 H new ATOM 0 HD23 LEU A 78 9.329 0.435 37.052 1.00 0.00 H new ATOM 1233 N LYS A 79 13.661 -0.193 34.490 1.00 0.00 N ATOM 1234 CA LYS A 79 14.604 -1.120 33.876 1.00 0.00 C ATOM 1235 C LYS A 79 13.876 -2.322 33.283 1.00 0.00 C ATOM 1236 O LYS A 79 13.183 -3.051 33.992 1.00 0.00 O ATOM 1237 CB LYS A 79 15.633 -1.590 34.907 1.00 0.00 C ATOM 1238 CG LYS A 79 16.615 -0.509 35.322 1.00 0.00 C ATOM 1239 CD LYS A 79 17.050 -0.676 36.769 1.00 0.00 C ATOM 1240 CE LYS A 79 17.814 -1.975 36.974 1.00 0.00 C ATOM 1241 NZ LYS A 79 17.036 -2.954 37.783 1.00 0.00 N ATOM 0 H LYS A 79 13.859 0.024 35.467 1.00 0.00 H new ATOM 0 HA LYS A 79 15.119 -0.596 33.071 1.00 0.00 H new ATOM 0 HB2 LYS A 79 15.109 -1.952 35.792 1.00 0.00 H new ATOM 0 HB3 LYS A 79 16.187 -2.434 34.496 1.00 0.00 H new ATOM 0 HG2 LYS A 79 17.490 -0.542 34.672 1.00 0.00 H new ATOM 0 HG3 LYS A 79 16.156 0.471 35.190 1.00 0.00 H new ATOM 0 HD2 LYS A 79 17.677 0.166 37.061 1.00 0.00 H new ATOM 0 HD3 LYS A 79 16.174 -0.661 37.418 1.00 0.00 H new ATOM 0 HE2 LYS A 79 18.053 -2.413 36.005 1.00 0.00 H new ATOM 0 HE3 LYS A 79 18.761 -1.765 37.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 17.622 -3.792 37.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 16.757 -2.516 38.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 16.184 -3.239 37.258 1.00 0.00 H new ATOM 1255 N MET A 80 14.040 -2.524 31.980 1.00 0.00 N ATOM 1256 CA MET A 80 13.401 -3.640 31.293 1.00 0.00 C ATOM 1257 C MET A 80 13.658 -4.951 32.030 1.00 0.00 C ATOM 1258 O MET A 80 12.948 -5.936 31.829 1.00 0.00 O ATOM 1259 CB MET A 80 13.911 -3.741 29.855 1.00 0.00 C ATOM 1260 CG MET A 80 13.789 -2.443 29.074 1.00 0.00 C ATOM 1261 SD MET A 80 12.725 -2.600 27.626 1.00 0.00 S ATOM 1262 CE MET A 80 11.128 -2.210 28.336 1.00 0.00 C ATOM 0 H MET A 80 14.610 -1.929 31.379 1.00 0.00 H new ATOM 0 HA MET A 80 12.327 -3.457 31.277 1.00 0.00 H new ATOM 0 HB2 MET A 80 14.956 -4.050 29.870 1.00 0.00 H new ATOM 0 HB3 MET A 80 13.356 -4.522 29.335 1.00 0.00 H new ATOM 0 HG2 MET A 80 13.393 -1.666 29.728 1.00 0.00 H new ATOM 0 HG3 MET A 80 14.781 -2.119 28.758 1.00 0.00 H new ATOM 0 HE1 MET A 80 10.363 -2.265 27.562 1.00 0.00 H new ATOM 0 HE2 MET A 80 10.897 -2.924 29.126 1.00 0.00 H new ATOM 0 HE3 MET A 80 11.151 -1.203 28.753 1.00 0.00 H new ATOM 1272 N ASP A 81 14.677 -4.955 32.882 1.00 0.00 N ATOM 1273 CA ASP A 81 15.028 -6.145 33.649 1.00 0.00 C ATOM 1274 C ASP A 81 14.628 -5.985 35.112 1.00 0.00 C ATOM 1275 O ASP A 81 15.326 -6.454 36.011 1.00 0.00 O ATOM 1276 CB ASP A 81 16.528 -6.422 33.544 1.00 0.00 C ATOM 1277 CG ASP A 81 16.826 -7.840 33.100 1.00 0.00 C ATOM 1278 OD1 ASP A 81 15.940 -8.708 33.251 1.00 0.00 O ATOM 1279 OD2 ASP A 81 17.944 -8.083 32.600 1.00 0.00 O ATOM 0 H ASP A 81 15.275 -4.148 33.059 1.00 0.00 H new ATOM 0 HA ASP A 81 14.481 -6.991 33.232 1.00 0.00 H new ATOM 0 HB2 ASP A 81 16.975 -5.722 32.838 1.00 0.00 H new ATOM 0 HB3 ASP A 81 16.996 -6.242 34.512 1.00 0.00 H new ATOM 1284 N ALA A 82 13.501 -5.319 35.344 1.00 0.00 N ATOM 1285 CA ALA A 82 13.009 -5.098 36.698 1.00 0.00 C ATOM 1286 C ALA A 82 11.606 -5.670 36.871 1.00 0.00 C ATOM 1287 O ALA A 82 10.775 -5.588 35.967 1.00 0.00 O ATOM 1288 CB ALA A 82 13.021 -3.613 37.028 1.00 0.00 C ATOM 0 H ALA A 82 12.912 -4.923 34.611 1.00 0.00 H new ATOM 0 HA ALA A 82 13.673 -5.617 37.389 1.00 0.00 H new ATOM 0 HB1 ALA A 82 12.651 -3.463 38.042 1.00 0.00 H new ATOM 0 HB2 ALA A 82 14.039 -3.232 36.953 1.00 0.00 H new ATOM 0 HB3 ALA A 82 12.381 -3.079 36.326 1.00 0.00 H new ATOM 1294 N VAL A 83 11.348 -6.250 38.040 1.00 0.00 N ATOM 1295 CA VAL A 83 10.045 -6.835 38.332 1.00 0.00 C ATOM 1296 C VAL A 83 9.453 -6.248 39.608 1.00 0.00 C ATOM 1297 O VAL A 83 10.168 -5.818 40.514 1.00 0.00 O ATOM 1298 CB VAL A 83 10.138 -8.365 38.479 1.00 0.00 C ATOM 1299 CG1 VAL A 83 9.581 -9.055 37.243 1.00 0.00 C ATOM 1300 CG2 VAL A 83 11.576 -8.790 38.735 1.00 0.00 C ATOM 0 H VAL A 83 12.024 -6.327 38.800 1.00 0.00 H new ATOM 0 HA VAL A 83 9.395 -6.597 37.490 1.00 0.00 H new ATOM 0 HB VAL A 83 9.537 -8.667 39.336 1.00 0.00 H new ATOM 0 HG11 VAL A 83 9.655 -10.136 37.365 1.00 0.00 H new ATOM 0 HG12 VAL A 83 8.536 -8.776 37.110 1.00 0.00 H new ATOM 0 HG13 VAL A 83 10.152 -8.749 36.367 1.00 0.00 H new ATOM 0 HG21 VAL A 83 11.622 -9.874 38.836 1.00 0.00 H new ATOM 0 HG22 VAL A 83 12.202 -8.476 37.900 1.00 0.00 H new ATOM 0 HG23 VAL A 83 11.935 -8.324 39.653 1.00 0.00 H new ATOM 1310 N PRO A 84 8.114 -6.228 39.685 1.00 0.00 N ATOM 1311 CA PRO A 84 7.395 -5.697 40.846 1.00 0.00 C ATOM 1312 C PRO A 84 7.551 -6.582 42.079 1.00 0.00 C ATOM 1313 O PRO A 84 6.747 -7.485 42.313 1.00 0.00 O ATOM 1314 CB PRO A 84 5.937 -5.677 40.383 1.00 0.00 C ATOM 1315 CG PRO A 84 5.860 -6.727 39.328 1.00 0.00 C ATOM 1316 CD PRO A 84 7.199 -6.724 38.643 1.00 0.00 C ATOM 0 HA PRO A 84 7.773 -4.720 41.147 1.00 0.00 H new ATOM 0 HB2 PRO A 84 5.257 -5.893 41.207 1.00 0.00 H new ATOM 0 HB3 PRO A 84 5.660 -4.699 39.989 1.00 0.00 H new ATOM 0 HG2 PRO A 84 5.647 -7.703 39.764 1.00 0.00 H new ATOM 0 HG3 PRO A 84 5.059 -6.512 38.621 1.00 0.00 H new ATOM 0 HD2 PRO A 84 7.479 -7.721 38.304 1.00 0.00 H new ATOM 0 HD3 PRO A 84 7.200 -6.077 37.766 1.00 0.00 H new ATOM 1324 N THR A 85 8.589 -6.317 42.865 1.00 0.00 N ATOM 1325 CA THR A 85 8.850 -7.089 44.073 1.00 0.00 C ATOM 1326 C THR A 85 7.954 -6.635 45.220 1.00 0.00 C ATOM 1327 O THR A 85 8.066 -7.133 46.341 1.00 0.00 O ATOM 1328 CB THR A 85 10.323 -6.970 44.509 1.00 0.00 C ATOM 1329 OG1 THR A 85 10.714 -5.594 44.542 1.00 0.00 O ATOM 1330 CG2 THR A 85 11.231 -7.738 43.560 1.00 0.00 C ATOM 0 H THR A 85 9.263 -5.573 42.686 1.00 0.00 H new ATOM 0 HA THR A 85 8.632 -8.130 43.836 1.00 0.00 H new ATOM 0 HB THR A 85 10.420 -7.399 45.507 1.00 0.00 H new ATOM 0 HG1 THR A 85 11.651 -5.527 44.822 1.00 0.00 H new ATOM 0 HG21 THR A 85 12.266 -7.640 43.887 1.00 0.00 H new ATOM 0 HG22 THR A 85 10.949 -8.791 43.559 1.00 0.00 H new ATOM 0 HG23 THR A 85 11.129 -7.334 42.553 1.00 0.00 H new ATOM 1338 N ILE A 86 7.067 -5.689 44.933 1.00 0.00 N ATOM 1339 CA ILE A 86 6.151 -5.170 45.941 1.00 0.00 C ATOM 1340 C ILE A 86 4.728 -5.087 45.400 1.00 0.00 C ATOM 1341 O ILE A 86 4.472 -4.429 44.392 1.00 0.00 O ATOM 1342 CB ILE A 86 6.584 -3.775 46.430 1.00 0.00 C ATOM 1343 CG1 ILE A 86 8.107 -3.706 46.561 1.00 0.00 C ATOM 1344 CG2 ILE A 86 5.917 -3.449 47.758 1.00 0.00 C ATOM 1345 CD1 ILE A 86 8.767 -2.854 45.500 1.00 0.00 C ATOM 0 H ILE A 86 6.963 -5.266 44.011 1.00 0.00 H new ATOM 0 HA ILE A 86 6.178 -5.865 46.780 1.00 0.00 H new ATOM 0 HB ILE A 86 6.268 -3.034 45.695 1.00 0.00 H new ATOM 0 HG12 ILE A 86 8.361 -3.309 47.544 1.00 0.00 H new ATOM 0 HG13 ILE A 86 8.514 -4.716 46.510 1.00 0.00 H new ATOM 0 HG21 ILE A 86 6.233 -2.460 48.091 1.00 0.00 H new ATOM 0 HG22 ILE A 86 4.834 -3.462 47.634 1.00 0.00 H new ATOM 0 HG23 ILE A 86 6.206 -4.191 48.502 1.00 0.00 H new ATOM 0 HD11 ILE A 86 9.846 -2.851 45.655 1.00 0.00 H new ATOM 0 HD12 ILE A 86 8.543 -3.262 44.514 1.00 0.00 H new ATOM 0 HD13 ILE A 86 8.388 -1.834 45.565 1.00 0.00 H new ATOM 1357 N PHE A 87 3.803 -5.759 46.079 1.00 0.00 N ATOM 1358 CA PHE A 87 2.404 -5.761 45.668 1.00 0.00 C ATOM 1359 C PHE A 87 1.480 -5.727 46.881 1.00 0.00 C ATOM 1360 O PHE A 87 0.697 -4.793 47.053 1.00 0.00 O ATOM 1361 CB PHE A 87 2.103 -6.997 44.818 1.00 0.00 C ATOM 1362 CG PHE A 87 1.892 -6.688 43.363 1.00 0.00 C ATOM 1363 CD1 PHE A 87 1.035 -5.671 42.975 1.00 0.00 C ATOM 1364 CD2 PHE A 87 2.551 -7.414 42.384 1.00 0.00 C ATOM 1365 CE1 PHE A 87 0.838 -5.385 41.637 1.00 0.00 C ATOM 1366 CE2 PHE A 87 2.359 -7.132 41.045 1.00 0.00 C ATOM 1367 CZ PHE A 87 1.502 -6.115 40.671 1.00 0.00 C ATOM 0 H PHE A 87 3.998 -6.309 46.916 1.00 0.00 H new ATOM 0 HA PHE A 87 2.225 -4.866 45.073 1.00 0.00 H new ATOM 0 HB2 PHE A 87 2.927 -7.704 44.915 1.00 0.00 H new ATOM 0 HB3 PHE A 87 1.213 -7.489 45.209 1.00 0.00 H new ATOM 0 HD1 PHE A 87 0.515 -5.095 43.726 1.00 0.00 H new ATOM 0 HD2 PHE A 87 3.223 -8.210 42.671 1.00 0.00 H new ATOM 0 HE1 PHE A 87 0.165 -4.591 41.347 1.00 0.00 H new ATOM 0 HE2 PHE A 87 2.878 -7.706 40.292 1.00 0.00 H new ATOM 0 HZ PHE A 87 1.352 -5.891 39.625 1.00 0.00 H new