USER MOD reduce.3.24.130724 H: found=0, std=0, add=394, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 396 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 317 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 319 ASN :FLIP amide:sc= -2.7! C(o=-5.5!,f=-2.7!) USER MOD Single : A 310 TYR OH : rot 180:sc= 0 USER MOD Single : A 333 SER OG : rot 160:sc= -0.132 USER MOD Single : A 334 TYR OH : rot 30:sc= -0.112 USER MOD Single : A 335 HIS : no HE2:sc= -9.3! C(o=-9.3!,f=-12!) USER MOD Single : A 336 THR OG1 : rot 104:sc= 0.565 USER MOD Single : A 344 HIS : no HD1:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 348 LYS NZ :NH3+ -167:sc=-0.00757 (180deg=-0.217) USER MOD Single : A 355 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 359 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 306 1.841 16.887 6.063 1.00 0.00 N ATOM 2 CA ALA A 306 2.621 15.618 6.130 1.00 0.00 C ATOM 3 C ALA A 306 1.820 14.490 5.476 1.00 0.00 C ATOM 4 O ALA A 306 2.351 13.692 4.730 1.00 0.00 O ATOM 5 CB ALA A 306 2.897 15.266 7.592 1.00 0.00 C ATOM 0 HA ALA A 306 3.566 15.745 5.602 1.00 0.00 H new ATOM 0 HB1 ALA A 306 3.467 14.338 7.642 1.00 0.00 H new ATOM 0 HB2 ALA A 306 3.469 16.069 8.058 1.00 0.00 H new ATOM 0 HB3 ALA A 306 1.952 15.140 8.120 1.00 0.00 H new ATOM 13 N VAL A 307 0.545 14.417 5.750 1.00 0.00 N ATOM 14 CA VAL A 307 -0.286 13.339 5.143 1.00 0.00 C ATOM 15 C VAL A 307 -0.246 13.467 3.620 1.00 0.00 C ATOM 16 O VAL A 307 -0.142 12.488 2.907 1.00 0.00 O ATOM 17 CB VAL A 307 -1.730 13.475 5.630 1.00 0.00 C ATOM 18 CG1 VAL A 307 -2.607 12.440 4.923 1.00 0.00 C ATOM 19 CG2 VAL A 307 -1.785 13.243 7.142 1.00 0.00 C ATOM 0 H VAL A 307 0.044 15.056 6.367 1.00 0.00 H new ATOM 0 HA VAL A 307 0.105 12.365 5.437 1.00 0.00 H new ATOM 0 HB VAL A 307 -2.095 14.477 5.404 1.00 0.00 H new ATOM 0 HG11 VAL A 307 -3.636 12.537 5.270 1.00 0.00 H new ATOM 0 HG12 VAL A 307 -2.570 12.606 3.846 1.00 0.00 H new ATOM 0 HG13 VAL A 307 -2.241 11.438 5.148 1.00 0.00 H new ATOM 0 HG21 VAL A 307 -2.814 13.340 7.488 1.00 0.00 H new ATOM 0 HG22 VAL A 307 -1.418 12.242 7.370 1.00 0.00 H new ATOM 0 HG23 VAL A 307 -1.162 13.981 7.646 1.00 0.00 H new ATOM 29 N ASP A 308 -0.322 14.666 3.117 1.00 0.00 N ATOM 30 CA ASP A 308 -0.284 14.863 1.641 1.00 0.00 C ATOM 31 C ASP A 308 1.015 14.276 1.083 1.00 0.00 C ATOM 32 O ASP A 308 1.068 13.808 -0.037 1.00 0.00 O ATOM 33 CB ASP A 308 -0.347 16.358 1.321 1.00 0.00 C ATOM 34 CG ASP A 308 -0.523 16.551 -0.186 1.00 0.00 C ATOM 35 OD1 ASP A 308 -0.669 15.556 -0.877 1.00 0.00 O ATOM 36 OD2 ASP A 308 -0.508 17.690 -0.624 1.00 0.00 O ATOM 0 H ASP A 308 -0.409 15.521 3.666 1.00 0.00 H new ATOM 0 HA ASP A 308 -1.137 14.360 1.186 1.00 0.00 H new ATOM 0 HB2 ASP A 308 -1.176 16.821 1.857 1.00 0.00 H new ATOM 0 HB3 ASP A 308 0.565 16.851 1.657 1.00 0.00 H new ATOM 41 N LEU A 309 2.065 14.309 1.857 1.00 0.00 N ATOM 42 CA LEU A 309 3.366 13.765 1.375 1.00 0.00 C ATOM 43 C LEU A 309 3.171 12.341 0.847 1.00 0.00 C ATOM 44 O LEU A 309 3.757 11.958 -0.145 1.00 0.00 O ATOM 45 CB LEU A 309 4.368 13.748 2.531 1.00 0.00 C ATOM 46 CG LEU A 309 5.742 13.314 2.013 1.00 0.00 C ATOM 47 CD1 LEU A 309 6.314 14.397 1.093 1.00 0.00 C ATOM 48 CD2 LEU A 309 6.687 13.105 3.197 1.00 0.00 C ATOM 0 H LEU A 309 2.078 14.690 2.803 1.00 0.00 H new ATOM 0 HA LEU A 309 3.744 14.396 0.571 1.00 0.00 H new ATOM 0 HB2 LEU A 309 4.434 14.738 2.983 1.00 0.00 H new ATOM 0 HB3 LEU A 309 4.029 13.064 3.309 1.00 0.00 H new ATOM 0 HG LEU A 309 5.640 12.383 1.455 1.00 0.00 H new ATOM 0 HD11 LEU A 309 7.292 14.084 0.727 1.00 0.00 H new ATOM 0 HD12 LEU A 309 5.642 14.549 0.249 1.00 0.00 H new ATOM 0 HD13 LEU A 309 6.416 15.329 1.648 1.00 0.00 H new ATOM 0 HD21 LEU A 309 7.666 12.796 2.831 1.00 0.00 H new ATOM 0 HD22 LEU A 309 6.785 14.037 3.753 1.00 0.00 H new ATOM 0 HD23 LEU A 309 6.284 12.333 3.852 1.00 0.00 H new ATOM 60 N TYR A 310 2.352 11.556 1.500 1.00 0.00 N ATOM 61 CA TYR A 310 2.122 10.159 1.030 1.00 0.00 C ATOM 62 C TYR A 310 0.673 9.989 0.573 1.00 0.00 C ATOM 63 O TYR A 310 -0.260 10.218 1.318 1.00 0.00 O ATOM 64 CB TYR A 310 2.415 9.178 2.168 1.00 0.00 C ATOM 65 CG TYR A 310 3.867 8.768 2.113 1.00 0.00 C ATOM 66 CD1 TYR A 310 4.258 7.706 1.289 1.00 0.00 C ATOM 67 CD2 TYR A 310 4.819 9.449 2.879 1.00 0.00 C ATOM 68 CE1 TYR A 310 5.603 7.324 1.231 1.00 0.00 C ATOM 69 CE2 TYR A 310 6.165 9.067 2.821 1.00 0.00 C ATOM 70 CZ TYR A 310 6.558 8.005 1.997 1.00 0.00 C ATOM 71 OH TYR A 310 7.884 7.629 1.940 1.00 0.00 O ATOM 0 H TYR A 310 1.834 11.823 2.337 1.00 0.00 H new ATOM 0 HA TYR A 310 2.787 9.955 0.191 1.00 0.00 H new ATOM 0 HB2 TYR A 310 2.192 9.641 3.129 1.00 0.00 H new ATOM 0 HB3 TYR A 310 1.774 8.301 2.081 1.00 0.00 H new ATOM 0 HD1 TYR A 310 3.522 7.182 0.698 1.00 0.00 H new ATOM 0 HD2 TYR A 310 4.516 10.268 3.514 1.00 0.00 H new ATOM 0 HE1 TYR A 310 5.905 6.504 0.596 1.00 0.00 H new ATOM 0 HE2 TYR A 310 6.901 9.592 3.412 1.00 0.00 H new ATOM 0 HH TYR A 310 8.413 8.205 2.531 1.00 0.00 H new ATOM 81 N VAL A 311 0.484 9.578 -0.650 1.00 0.00 N ATOM 82 CA VAL A 311 -0.894 9.374 -1.176 1.00 0.00 C ATOM 83 C VAL A 311 -0.946 8.035 -1.914 1.00 0.00 C ATOM 84 O VAL A 311 0.071 7.505 -2.317 1.00 0.00 O ATOM 85 CB VAL A 311 -1.244 10.507 -2.142 1.00 0.00 C ATOM 86 CG1 VAL A 311 -1.121 11.850 -1.419 1.00 0.00 C ATOM 87 CG2 VAL A 311 -0.279 10.478 -3.329 1.00 0.00 C ATOM 0 H VAL A 311 1.232 9.373 -1.313 1.00 0.00 H new ATOM 0 HA VAL A 311 -1.610 9.371 -0.354 1.00 0.00 H new ATOM 0 HB VAL A 311 -2.266 10.379 -2.499 1.00 0.00 H new ATOM 0 HG11 VAL A 311 -1.370 12.658 -2.107 1.00 0.00 H new ATOM 0 HG12 VAL A 311 -1.806 11.871 -0.571 1.00 0.00 H new ATOM 0 HG13 VAL A 311 -0.099 11.979 -1.063 1.00 0.00 H new ATOM 0 HG21 VAL A 311 -0.527 11.285 -4.019 1.00 0.00 H new ATOM 0 HG22 VAL A 311 0.742 10.607 -2.971 1.00 0.00 H new ATOM 0 HG23 VAL A 311 -0.364 9.521 -3.844 1.00 0.00 H new ATOM 97 N CYS A 312 -2.112 7.479 -2.104 1.00 0.00 N ATOM 98 CA CYS A 312 -2.190 6.180 -2.826 1.00 0.00 C ATOM 99 C CYS A 312 -2.238 6.448 -4.329 1.00 0.00 C ATOM 100 O CYS A 312 -3.133 7.102 -4.826 1.00 0.00 O ATOM 101 CB CYS A 312 -3.445 5.424 -2.389 1.00 0.00 C ATOM 102 SG CYS A 312 -3.698 3.997 -3.471 1.00 0.00 S ATOM 0 H CYS A 312 -3.004 7.864 -1.794 1.00 0.00 H new ATOM 0 HA CYS A 312 -1.315 5.574 -2.593 1.00 0.00 H new ATOM 0 HB2 CYS A 312 -3.343 5.096 -1.355 1.00 0.00 H new ATOM 0 HB3 CYS A 312 -4.312 6.083 -2.430 1.00 0.00 H new ATOM 107 N LEU A 313 -1.271 5.957 -5.054 1.00 0.00 N ATOM 108 CA LEU A 313 -1.247 6.193 -6.522 1.00 0.00 C ATOM 109 C LEU A 313 -2.505 5.603 -7.163 1.00 0.00 C ATOM 110 O LEU A 313 -3.062 6.161 -8.086 1.00 0.00 O ATOM 111 CB LEU A 313 -0.006 5.522 -7.112 1.00 0.00 C ATOM 112 CG LEU A 313 1.240 6.008 -6.370 1.00 0.00 C ATOM 113 CD1 LEU A 313 2.492 5.452 -7.050 1.00 0.00 C ATOM 114 CD2 LEU A 313 1.288 7.538 -6.392 1.00 0.00 C ATOM 0 H LEU A 313 -0.496 5.402 -4.691 1.00 0.00 H new ATOM 0 HA LEU A 313 -1.218 7.264 -6.721 1.00 0.00 H new ATOM 0 HB2 LEU A 313 -0.092 4.439 -7.029 1.00 0.00 H new ATOM 0 HB3 LEU A 313 0.076 5.755 -8.174 1.00 0.00 H new ATOM 0 HG LEU A 313 1.201 5.660 -5.338 1.00 0.00 H new ATOM 0 HD11 LEU A 313 3.379 5.799 -6.520 1.00 0.00 H new ATOM 0 HD12 LEU A 313 2.462 4.363 -7.032 1.00 0.00 H new ATOM 0 HD13 LEU A 313 2.529 5.797 -8.083 1.00 0.00 H new ATOM 0 HD21 LEU A 313 2.177 7.882 -5.863 1.00 0.00 H new ATOM 0 HD22 LEU A 313 1.323 7.886 -7.424 1.00 0.00 H new ATOM 0 HD23 LEU A 313 0.398 7.937 -5.905 1.00 0.00 H new ATOM 126 N LEU A 314 -2.955 4.479 -6.681 1.00 0.00 N ATOM 127 CA LEU A 314 -4.173 3.856 -7.263 1.00 0.00 C ATOM 128 C LEU A 314 -5.376 4.777 -7.053 1.00 0.00 C ATOM 129 O LEU A 314 -6.249 4.872 -7.891 1.00 0.00 O ATOM 130 CB LEU A 314 -4.425 2.517 -6.572 1.00 0.00 C ATOM 131 CG LEU A 314 -3.187 1.632 -6.715 1.00 0.00 C ATOM 132 CD1 LEU A 314 -3.449 0.284 -6.047 1.00 0.00 C ATOM 133 CD2 LEU A 314 -2.887 1.414 -8.201 1.00 0.00 C ATOM 0 H LEU A 314 -2.531 3.965 -5.909 1.00 0.00 H new ATOM 0 HA LEU A 314 -4.029 3.698 -8.332 1.00 0.00 H new ATOM 0 HB2 LEU A 314 -4.652 2.676 -5.518 1.00 0.00 H new ATOM 0 HB3 LEU A 314 -5.291 2.024 -7.014 1.00 0.00 H new ATOM 0 HG LEU A 314 -2.335 2.116 -6.238 1.00 0.00 H new ATOM 0 HD11 LEU A 314 -2.568 -0.349 -6.148 1.00 0.00 H new ATOM 0 HD12 LEU A 314 -3.667 0.438 -4.990 1.00 0.00 H new ATOM 0 HD13 LEU A 314 -4.300 -0.200 -6.526 1.00 0.00 H new ATOM 0 HD21 LEU A 314 -2.004 0.783 -8.305 1.00 0.00 H new ATOM 0 HD22 LEU A 314 -3.739 0.928 -8.677 1.00 0.00 H new ATOM 0 HD23 LEU A 314 -2.704 2.376 -8.680 1.00 0.00 H new ATOM 145 N CYS A 315 -5.426 5.455 -5.936 1.00 0.00 N ATOM 146 CA CYS A 315 -6.573 6.371 -5.666 1.00 0.00 C ATOM 147 C CYS A 315 -6.047 7.750 -5.255 1.00 0.00 C ATOM 148 O CYS A 315 -6.286 8.740 -5.918 1.00 0.00 O ATOM 149 CB CYS A 315 -7.426 5.799 -4.533 1.00 0.00 C ATOM 150 SG CYS A 315 -7.297 3.989 -4.516 1.00 0.00 S ATOM 0 H CYS A 315 -4.722 5.414 -5.199 1.00 0.00 H new ATOM 0 HA CYS A 315 -7.177 6.467 -6.569 1.00 0.00 H new ATOM 0 HB2 CYS A 315 -7.096 6.205 -3.577 1.00 0.00 H new ATOM 0 HB3 CYS A 315 -8.466 6.097 -4.663 1.00 0.00 H new ATOM 155 N GLY A 316 -5.339 7.818 -4.163 1.00 0.00 N ATOM 156 CA GLY A 316 -4.797 9.128 -3.696 1.00 0.00 C ATOM 157 C GLY A 316 -5.884 9.894 -2.940 1.00 0.00 C ATOM 158 O GLY A 316 -6.033 11.090 -3.088 1.00 0.00 O ATOM 0 H GLY A 316 -5.110 7.020 -3.570 1.00 0.00 H new ATOM 0 HA2 GLY A 316 -3.935 8.966 -3.049 1.00 0.00 H new ATOM 0 HA3 GLY A 316 -4.451 9.714 -4.547 1.00 0.00 H new ATOM 162 N SER A 317 -6.649 9.210 -2.134 1.00 0.00 N ATOM 163 CA SER A 317 -7.735 9.894 -1.368 1.00 0.00 C ATOM 164 C SER A 317 -7.134 10.946 -0.431 1.00 0.00 C ATOM 165 O SER A 317 -7.650 12.038 -0.296 1.00 0.00 O ATOM 166 CB SER A 317 -8.504 8.862 -0.545 1.00 0.00 C ATOM 167 OG SER A 317 -9.647 9.480 0.032 1.00 0.00 O ATOM 0 H SER A 317 -6.571 8.206 -1.971 1.00 0.00 H new ATOM 0 HA SER A 317 -8.411 10.384 -2.069 1.00 0.00 H new ATOM 0 HB2 SER A 317 -8.808 8.028 -1.178 1.00 0.00 H new ATOM 0 HB3 SER A 317 -7.864 8.453 0.237 1.00 0.00 H new ATOM 0 HG SER A 317 -10.144 8.821 0.560 1.00 0.00 H new ATOM 173 N GLY A 318 -6.050 10.625 0.216 1.00 0.00 N ATOM 174 CA GLY A 318 -5.412 11.602 1.147 1.00 0.00 C ATOM 175 C GLY A 318 -5.740 11.228 2.595 1.00 0.00 C ATOM 176 O GLY A 318 -4.908 11.333 3.474 1.00 0.00 O ATOM 0 H GLY A 318 -5.575 9.725 0.141 1.00 0.00 H new ATOM 0 HA2 GLY A 318 -4.332 11.608 0.999 1.00 0.00 H new ATOM 0 HA3 GLY A 318 -5.769 12.609 0.932 1.00 0.00 H new ATOM 180 N ASN A 319 -6.942 10.788 2.852 1.00 0.00 N ATOM 181 CA ASN A 319 -7.313 10.403 4.244 1.00 0.00 C ATOM 182 C ASN A 319 -7.150 8.893 4.407 1.00 0.00 C ATOM 183 O ASN A 319 -7.388 8.336 5.460 1.00 0.00 O ATOM 184 CB ASN A 319 -8.768 10.798 4.516 1.00 0.00 C ATOM 185 CG ASN A 319 -9.700 9.967 3.632 1.00 0.00 C ATOM 186 OD1 ASN A 319 -9.668 8.665 3.709 1.00 0.00 O flip ATOM 187 ND2 ASN A 319 -10.471 10.509 2.865 1.00 0.00 N flip ATOM 0 H ASN A 319 -7.682 10.679 2.159 1.00 0.00 H new ATOM 0 HA ASN A 319 -6.665 10.919 4.952 1.00 0.00 H new ATOM 0 HB2 ASN A 319 -9.008 10.637 5.567 1.00 0.00 H new ATOM 0 HB3 ASN A 319 -8.911 11.860 4.315 1.00 0.00 H new ATOM 0 HD21 ASN A 319 -10.498 11.527 2.803 1.00 0.00 H new ATOM 0 HD22 ASN A 319 -11.091 9.946 2.283 1.00 0.00 H new ATOM 194 N ASP A 320 -6.738 8.234 3.365 1.00 0.00 N ATOM 195 CA ASP A 320 -6.541 6.763 3.421 1.00 0.00 C ATOM 196 C ASP A 320 -5.145 6.467 3.972 1.00 0.00 C ATOM 197 O ASP A 320 -4.758 5.328 4.143 1.00 0.00 O ATOM 198 CB ASP A 320 -6.684 6.182 2.019 1.00 0.00 C ATOM 199 CG ASP A 320 -8.135 6.323 1.555 1.00 0.00 C ATOM 200 OD1 ASP A 320 -8.973 6.640 2.383 1.00 0.00 O ATOM 201 OD2 ASP A 320 -8.383 6.110 0.379 1.00 0.00 O ATOM 0 H ASP A 320 -6.526 8.659 2.462 1.00 0.00 H new ATOM 0 HA ASP A 320 -7.289 6.310 4.072 1.00 0.00 H new ATOM 0 HB2 ASP A 320 -6.018 6.700 1.329 1.00 0.00 H new ATOM 0 HB3 ASP A 320 -6.391 5.132 2.017 1.00 0.00 H new ATOM 206 N GLU A 321 -4.381 7.493 4.230 1.00 0.00 N ATOM 207 CA GLU A 321 -2.998 7.297 4.747 1.00 0.00 C ATOM 208 C GLU A 321 -3.018 6.336 5.938 1.00 0.00 C ATOM 209 O GLU A 321 -2.035 5.685 6.235 1.00 0.00 O ATOM 210 CB GLU A 321 -2.441 8.647 5.203 1.00 0.00 C ATOM 211 CG GLU A 321 -0.978 8.482 5.614 1.00 0.00 C ATOM 212 CD GLU A 321 -0.458 9.803 6.185 1.00 0.00 C ATOM 213 OE1 GLU A 321 -1.244 10.729 6.289 1.00 0.00 O ATOM 214 OE2 GLU A 321 0.717 9.863 6.509 1.00 0.00 O ATOM 0 H GLU A 321 -4.659 8.466 4.104 1.00 0.00 H new ATOM 0 HA GLU A 321 -2.373 6.879 3.958 1.00 0.00 H new ATOM 0 HB2 GLU A 321 -2.524 9.377 4.398 1.00 0.00 H new ATOM 0 HB3 GLU A 321 -3.024 9.029 6.041 1.00 0.00 H new ATOM 0 HG2 GLU A 321 -0.885 7.690 6.357 1.00 0.00 H new ATOM 0 HG3 GLU A 321 -0.379 8.184 4.754 1.00 0.00 H new ATOM 221 N ASP A 322 -4.119 6.243 6.625 1.00 0.00 N ATOM 222 CA ASP A 322 -4.188 5.329 7.795 1.00 0.00 C ATOM 223 C ASP A 322 -3.870 3.889 7.370 1.00 0.00 C ATOM 224 O ASP A 322 -3.224 3.157 8.095 1.00 0.00 O ATOM 225 CB ASP A 322 -5.597 5.383 8.388 1.00 0.00 C ATOM 226 CG ASP A 322 -5.840 6.762 9.004 1.00 0.00 C ATOM 227 OD1 ASP A 322 -4.881 7.501 9.152 1.00 0.00 O ATOM 228 OD2 ASP A 322 -6.981 7.056 9.318 1.00 0.00 O ATOM 0 H ASP A 322 -4.975 6.761 6.427 1.00 0.00 H new ATOM 0 HA ASP A 322 -3.455 5.645 8.538 1.00 0.00 H new ATOM 0 HB2 ASP A 322 -6.337 5.184 7.613 1.00 0.00 H new ATOM 0 HB3 ASP A 322 -5.714 4.609 9.146 1.00 0.00 H new ATOM 233 N ARG A 323 -4.322 3.472 6.213 1.00 0.00 N ATOM 234 CA ARG A 323 -4.048 2.073 5.759 1.00 0.00 C ATOM 235 C ARG A 323 -3.161 2.057 4.510 1.00 0.00 C ATOM 236 O ARG A 323 -3.015 1.038 3.863 1.00 0.00 O ATOM 237 CB ARG A 323 -5.366 1.357 5.456 1.00 0.00 C ATOM 238 CG ARG A 323 -6.151 1.168 6.756 1.00 0.00 C ATOM 239 CD ARG A 323 -7.331 0.226 6.506 1.00 0.00 C ATOM 240 NE ARG A 323 -8.181 0.159 7.727 1.00 0.00 N ATOM 241 CZ ARG A 323 -8.996 1.138 8.011 1.00 0.00 C ATOM 242 NH1 ARG A 323 -9.064 2.179 7.226 1.00 0.00 N ATOM 243 NH2 ARG A 323 -9.743 1.077 9.079 1.00 0.00 N ATOM 0 H ARG A 323 -4.868 4.039 5.564 1.00 0.00 H new ATOM 0 HA ARG A 323 -3.522 1.557 6.562 1.00 0.00 H new ATOM 0 HB2 ARG A 323 -5.953 1.938 4.745 1.00 0.00 H new ATOM 0 HB3 ARG A 323 -5.169 0.390 4.993 1.00 0.00 H new ATOM 0 HG2 ARG A 323 -5.502 0.758 7.529 1.00 0.00 H new ATOM 0 HG3 ARG A 323 -6.511 2.131 7.120 1.00 0.00 H new ATOM 0 HD2 ARG A 323 -7.919 0.580 5.659 1.00 0.00 H new ATOM 0 HD3 ARG A 323 -6.968 -0.769 6.248 1.00 0.00 H new ATOM 0 HE ARG A 323 -8.126 -0.653 8.342 1.00 0.00 H new ATOM 0 HH11 ARG A 323 -8.480 2.227 6.391 1.00 0.00 H new ATOM 0 HH12 ARG A 323 -9.701 2.944 7.448 1.00 0.00 H new ATOM 0 HH21 ARG A 323 -9.690 0.264 9.693 1.00 0.00 H new ATOM 0 HH22 ARG A 323 -10.380 1.842 9.300 1.00 0.00 H new ATOM 257 N LEU A 324 -2.559 3.160 4.160 1.00 0.00 N ATOM 258 CA LEU A 324 -1.682 3.168 2.954 1.00 0.00 C ATOM 259 C LEU A 324 -0.472 2.273 3.218 1.00 0.00 C ATOM 260 O LEU A 324 0.197 2.394 4.225 1.00 0.00 O ATOM 261 CB LEU A 324 -1.221 4.602 2.672 1.00 0.00 C ATOM 262 CG LEU A 324 -0.344 4.650 1.414 1.00 0.00 C ATOM 263 CD1 LEU A 324 -1.224 4.571 0.166 1.00 0.00 C ATOM 264 CD2 LEU A 324 0.440 5.966 1.392 1.00 0.00 C ATOM 0 H LEU A 324 -2.635 4.050 4.652 1.00 0.00 H new ATOM 0 HA LEU A 324 -2.229 2.794 2.089 1.00 0.00 H new ATOM 0 HB2 LEU A 324 -2.088 5.250 2.542 1.00 0.00 H new ATOM 0 HB3 LEU A 324 -0.662 4.985 3.526 1.00 0.00 H new ATOM 0 HG LEU A 324 0.346 3.807 1.426 1.00 0.00 H new ATOM 0 HD11 LEU A 324 -0.596 4.605 -0.725 1.00 0.00 H new ATOM 0 HD12 LEU A 324 -1.788 3.638 0.177 1.00 0.00 H new ATOM 0 HD13 LEU A 324 -1.916 5.413 0.155 1.00 0.00 H new ATOM 0 HD21 LEU A 324 1.064 6.003 0.499 1.00 0.00 H new ATOM 0 HD22 LEU A 324 -0.257 6.804 1.383 1.00 0.00 H new ATOM 0 HD23 LEU A 324 1.071 6.028 2.279 1.00 0.00 H new ATOM 276 N LEU A 325 -0.201 1.363 2.323 1.00 0.00 N ATOM 277 CA LEU A 325 0.946 0.440 2.515 1.00 0.00 C ATOM 278 C LEU A 325 2.081 0.811 1.554 1.00 0.00 C ATOM 279 O LEU A 325 1.890 0.902 0.358 1.00 0.00 O ATOM 280 CB LEU A 325 0.476 -0.989 2.233 1.00 0.00 C ATOM 281 CG LEU A 325 1.550 -1.988 2.662 1.00 0.00 C ATOM 282 CD1 LEU A 325 1.669 -1.998 4.189 1.00 0.00 C ATOM 283 CD2 LEU A 325 1.159 -3.385 2.176 1.00 0.00 C ATOM 0 H LEU A 325 -0.730 1.221 1.463 1.00 0.00 H new ATOM 0 HA LEU A 325 1.315 0.516 3.538 1.00 0.00 H new ATOM 0 HB2 LEU A 325 -0.452 -1.188 2.769 1.00 0.00 H new ATOM 0 HB3 LEU A 325 0.262 -1.107 1.171 1.00 0.00 H new ATOM 0 HG LEU A 325 2.507 -1.699 2.229 1.00 0.00 H new ATOM 0 HD11 LEU A 325 2.436 -2.712 4.490 1.00 0.00 H new ATOM 0 HD12 LEU A 325 1.942 -1.003 4.539 1.00 0.00 H new ATOM 0 HD13 LEU A 325 0.713 -2.287 4.627 1.00 0.00 H new ATOM 0 HD21 LEU A 325 1.922 -4.102 2.479 1.00 0.00 H new ATOM 0 HD22 LEU A 325 0.201 -3.667 2.613 1.00 0.00 H new ATOM 0 HD23 LEU A 325 1.075 -3.382 1.089 1.00 0.00 H new ATOM 295 N LEU A 326 3.263 1.018 2.070 1.00 0.00 N ATOM 296 CA LEU A 326 4.416 1.375 1.194 1.00 0.00 C ATOM 297 C LEU A 326 5.284 0.133 0.980 1.00 0.00 C ATOM 298 O LEU A 326 5.632 -0.557 1.919 1.00 0.00 O ATOM 299 CB LEU A 326 5.247 2.469 1.872 1.00 0.00 C ATOM 300 CG LEU A 326 6.386 2.916 0.947 1.00 0.00 C ATOM 301 CD1 LEU A 326 5.830 3.762 -0.201 1.00 0.00 C ATOM 302 CD2 LEU A 326 7.391 3.748 1.747 1.00 0.00 C ATOM 0 H LEU A 326 3.480 0.955 3.065 1.00 0.00 H new ATOM 0 HA LEU A 326 4.053 1.739 0.233 1.00 0.00 H new ATOM 0 HB2 LEU A 326 4.611 3.320 2.116 1.00 0.00 H new ATOM 0 HB3 LEU A 326 5.656 2.096 2.811 1.00 0.00 H new ATOM 0 HG LEU A 326 6.878 2.035 0.536 1.00 0.00 H new ATOM 0 HD11 LEU A 326 6.647 4.074 -0.852 1.00 0.00 H new ATOM 0 HD12 LEU A 326 5.115 3.172 -0.774 1.00 0.00 H new ATOM 0 HD13 LEU A 326 5.332 4.643 0.204 1.00 0.00 H new ATOM 0 HD21 LEU A 326 8.202 4.067 1.092 1.00 0.00 H new ATOM 0 HD22 LEU A 326 6.891 4.624 2.159 1.00 0.00 H new ATOM 0 HD23 LEU A 326 7.797 3.146 2.560 1.00 0.00 H new ATOM 314 N CYS A 327 5.641 -0.164 -0.241 1.00 0.00 N ATOM 315 CA CYS A 327 6.487 -1.365 -0.484 1.00 0.00 C ATOM 316 C CYS A 327 7.963 -0.995 -0.353 1.00 0.00 C ATOM 317 O CYS A 327 8.498 -0.250 -1.153 1.00 0.00 O ATOM 318 CB CYS A 327 6.247 -1.911 -1.893 1.00 0.00 C ATOM 319 SG CYS A 327 7.691 -2.890 -2.382 1.00 0.00 S ATOM 0 H CYS A 327 5.386 0.368 -1.073 1.00 0.00 H new ATOM 0 HA CYS A 327 6.222 -2.124 0.253 1.00 0.00 H new ATOM 0 HB2 CYS A 327 5.348 -2.526 -1.913 1.00 0.00 H new ATOM 0 HB3 CYS A 327 6.089 -1.092 -2.595 1.00 0.00 H new ATOM 324 N ASP A 328 8.624 -1.523 0.643 1.00 0.00 N ATOM 325 CA ASP A 328 10.071 -1.223 0.826 1.00 0.00 C ATOM 326 C ASP A 328 10.861 -1.812 -0.345 1.00 0.00 C ATOM 327 O ASP A 328 11.832 -1.243 -0.802 1.00 0.00 O ATOM 328 CB ASP A 328 10.560 -1.844 2.136 1.00 0.00 C ATOM 329 CG ASP A 328 9.871 -1.156 3.316 1.00 0.00 C ATOM 330 OD1 ASP A 328 9.273 -0.114 3.102 1.00 0.00 O ATOM 331 OD2 ASP A 328 9.953 -1.683 4.413 1.00 0.00 O ATOM 0 H ASP A 328 8.221 -2.151 1.339 1.00 0.00 H new ATOM 0 HA ASP A 328 10.219 -0.144 0.861 1.00 0.00 H new ATOM 0 HB2 ASP A 328 10.344 -2.912 2.147 1.00 0.00 H new ATOM 0 HB3 ASP A 328 11.641 -1.737 2.220 1.00 0.00 H new ATOM 336 N GLY A 329 10.451 -2.953 -0.831 1.00 0.00 N ATOM 337 CA GLY A 329 11.176 -3.584 -1.970 1.00 0.00 C ATOM 338 C GLY A 329 11.309 -2.568 -3.103 1.00 0.00 C ATOM 339 O GLY A 329 12.302 -2.523 -3.801 1.00 0.00 O ATOM 0 H GLY A 329 9.645 -3.475 -0.488 1.00 0.00 H new ATOM 0 HA2 GLY A 329 12.162 -3.920 -1.648 1.00 0.00 H new ATOM 0 HA3 GLY A 329 10.637 -4.465 -2.317 1.00 0.00 H new ATOM 343 N CYS A 330 10.316 -1.745 -3.279 1.00 0.00 N ATOM 344 CA CYS A 330 10.373 -0.716 -4.353 1.00 0.00 C ATOM 345 C CYS A 330 9.916 0.623 -3.776 1.00 0.00 C ATOM 346 O CYS A 330 10.152 0.924 -2.623 1.00 0.00 O ATOM 347 CB CYS A 330 9.445 -1.117 -5.502 1.00 0.00 C ATOM 348 SG CYS A 330 9.407 -2.920 -5.653 1.00 0.00 S ATOM 0 H CYS A 330 9.462 -1.740 -2.722 1.00 0.00 H new ATOM 0 HA CYS A 330 11.393 -0.633 -4.729 1.00 0.00 H new ATOM 0 HB2 CYS A 330 8.440 -0.736 -5.321 1.00 0.00 H new ATOM 0 HB3 CYS A 330 9.791 -0.671 -6.435 1.00 0.00 H new ATOM 353 N ASP A 331 9.257 1.424 -4.563 1.00 0.00 N ATOM 354 CA ASP A 331 8.777 2.736 -4.053 1.00 0.00 C ATOM 355 C ASP A 331 7.356 2.975 -4.558 1.00 0.00 C ATOM 356 O ASP A 331 7.132 3.744 -5.473 1.00 0.00 O ATOM 357 CB ASP A 331 9.695 3.850 -4.559 1.00 0.00 C ATOM 358 CG ASP A 331 9.285 5.178 -3.921 1.00 0.00 C ATOM 359 OD1 ASP A 331 8.445 5.154 -3.038 1.00 0.00 O ATOM 360 OD2 ASP A 331 9.819 6.198 -4.327 1.00 0.00 O ATOM 0 H ASP A 331 9.030 1.227 -5.538 1.00 0.00 H new ATOM 0 HA ASP A 331 8.785 2.733 -2.963 1.00 0.00 H new ATOM 0 HB2 ASP A 331 10.732 3.621 -4.313 1.00 0.00 H new ATOM 0 HB3 ASP A 331 9.633 3.922 -5.645 1.00 0.00 H new ATOM 365 N ASP A 332 6.391 2.322 -3.970 1.00 0.00 N ATOM 366 CA ASP A 332 4.983 2.515 -4.422 1.00 0.00 C ATOM 367 C ASP A 332 4.046 2.452 -3.216 1.00 0.00 C ATOM 368 O ASP A 332 4.250 1.675 -2.305 1.00 0.00 O ATOM 369 CB ASP A 332 4.611 1.412 -5.416 1.00 0.00 C ATOM 370 CG ASP A 332 3.241 1.712 -6.025 1.00 0.00 C ATOM 371 OD1 ASP A 332 2.717 2.781 -5.757 1.00 0.00 O ATOM 372 OD2 ASP A 332 2.739 0.869 -6.750 1.00 0.00 O ATOM 0 H ASP A 332 6.515 1.666 -3.199 1.00 0.00 H new ATOM 0 HA ASP A 332 4.887 3.487 -4.905 1.00 0.00 H new ATOM 0 HB2 ASP A 332 5.363 1.348 -6.202 1.00 0.00 H new ATOM 0 HB3 ASP A 332 4.593 0.445 -4.912 1.00 0.00 H new ATOM 377 N SER A 333 3.019 3.262 -3.204 1.00 0.00 N ATOM 378 CA SER A 333 2.070 3.247 -2.053 1.00 0.00 C ATOM 379 C SER A 333 0.687 2.800 -2.530 1.00 0.00 C ATOM 380 O SER A 333 0.209 3.212 -3.569 1.00 0.00 O ATOM 381 CB SER A 333 1.967 4.653 -1.465 1.00 0.00 C ATOM 382 OG SER A 333 3.261 5.097 -1.079 1.00 0.00 O ATOM 0 H SER A 333 2.797 3.932 -3.941 1.00 0.00 H new ATOM 0 HA SER A 333 2.434 2.554 -1.295 1.00 0.00 H new ATOM 0 HB2 SER A 333 1.540 5.336 -2.199 1.00 0.00 H new ATOM 0 HB3 SER A 333 1.299 4.651 -0.604 1.00 0.00 H new ATOM 0 HG SER A 333 3.264 6.074 -1.008 1.00 0.00 H new ATOM 388 N TYR A 334 0.039 1.963 -1.765 1.00 0.00 N ATOM 389 CA TYR A 334 -1.316 1.482 -2.150 1.00 0.00 C ATOM 390 C TYR A 334 -2.097 1.098 -0.893 1.00 0.00 C ATOM 391 O TYR A 334 -1.527 0.825 0.145 1.00 0.00 O ATOM 392 CB TYR A 334 -1.189 0.268 -3.069 1.00 0.00 C ATOM 393 CG TYR A 334 -0.201 -0.705 -2.478 1.00 0.00 C ATOM 394 CD1 TYR A 334 1.170 -0.466 -2.615 1.00 0.00 C ATOM 395 CD2 TYR A 334 -0.650 -1.843 -1.802 1.00 0.00 C ATOM 396 CE1 TYR A 334 2.095 -1.366 -2.075 1.00 0.00 C ATOM 397 CE2 TYR A 334 0.274 -2.745 -1.260 1.00 0.00 C ATOM 398 CZ TYR A 334 1.647 -2.506 -1.397 1.00 0.00 C ATOM 399 OH TYR A 334 2.559 -3.395 -0.864 1.00 0.00 O ATOM 0 H TYR A 334 0.394 1.590 -0.884 1.00 0.00 H new ATOM 0 HA TYR A 334 -1.846 2.276 -2.677 1.00 0.00 H new ATOM 0 HB2 TYR A 334 -2.160 -0.212 -3.192 1.00 0.00 H new ATOM 0 HB3 TYR A 334 -0.860 0.581 -4.060 1.00 0.00 H new ATOM 0 HD1 TYR A 334 1.515 0.414 -3.138 1.00 0.00 H new ATOM 0 HD2 TYR A 334 -1.709 -2.027 -1.698 1.00 0.00 H new ATOM 0 HE1 TYR A 334 3.154 -1.181 -2.181 1.00 0.00 H new ATOM 0 HE2 TYR A 334 -0.072 -3.624 -0.737 1.00 0.00 H new ATOM 0 HH TYR A 334 3.375 -2.914 -0.611 1.00 0.00 H new ATOM 409 N HIS A 335 -3.398 1.078 -0.975 1.00 0.00 N ATOM 410 CA HIS A 335 -4.214 0.716 0.216 1.00 0.00 C ATOM 411 C HIS A 335 -4.278 -0.804 0.354 1.00 0.00 C ATOM 412 O HIS A 335 -4.166 -1.535 -0.611 1.00 0.00 O ATOM 413 CB HIS A 335 -5.628 1.268 0.055 1.00 0.00 C ATOM 414 CG HIS A 335 -5.559 2.759 -0.105 1.00 0.00 C ATOM 415 ND1 HIS A 335 -6.231 3.436 -1.117 1.00 0.00 N ATOM 416 CD2 HIS A 335 -4.898 3.720 0.617 1.00 0.00 C ATOM 417 CE1 HIS A 335 -5.959 4.746 -0.969 1.00 0.00 C ATOM 418 NE2 HIS A 335 -5.153 4.968 0.068 1.00 0.00 N ATOM 0 H HIS A 335 -3.931 1.297 -1.816 1.00 0.00 H new ATOM 0 HA HIS A 335 -3.755 1.143 1.108 1.00 0.00 H new ATOM 0 HB2 HIS A 335 -6.110 0.819 -0.813 1.00 0.00 H new ATOM 0 HB3 HIS A 335 -6.233 1.011 0.924 1.00 0.00 H new ATOM 0 HD1 HIS A 335 -6.820 3.018 -1.837 1.00 0.00 H new ATOM 0 HD2 HIS A 335 -4.275 3.534 1.480 1.00 0.00 H new ATOM 0 HE1 HIS A 335 -6.347 5.522 -1.612 1.00 0.00 H new ATOM 426 N THR A 336 -4.456 -1.281 1.553 1.00 0.00 N ATOM 427 CA THR A 336 -4.528 -2.746 1.777 1.00 0.00 C ATOM 428 C THR A 336 -5.817 -3.305 1.168 1.00 0.00 C ATOM 429 O THR A 336 -5.959 -4.499 0.999 1.00 0.00 O ATOM 430 CB THR A 336 -4.517 -3.009 3.283 1.00 0.00 C ATOM 431 OG1 THR A 336 -5.659 -2.404 3.872 1.00 0.00 O ATOM 432 CG2 THR A 336 -3.248 -2.418 3.898 1.00 0.00 C ATOM 0 H THR A 336 -4.555 -0.712 2.393 1.00 0.00 H new ATOM 0 HA THR A 336 -3.676 -3.234 1.304 1.00 0.00 H new ATOM 0 HB THR A 336 -4.537 -4.083 3.466 1.00 0.00 H new ATOM 0 HG1 THR A 336 -6.325 -3.093 4.077 1.00 0.00 H new ATOM 0 HG21 THR A 336 -3.242 -2.607 4.972 1.00 0.00 H new ATOM 0 HG22 THR A 336 -2.373 -2.882 3.443 1.00 0.00 H new ATOM 0 HG23 THR A 336 -3.223 -1.343 3.718 1.00 0.00 H new ATOM 440 N PHE A 337 -6.763 -2.456 0.855 1.00 0.00 N ATOM 441 CA PHE A 337 -8.049 -2.948 0.279 1.00 0.00 C ATOM 442 C PHE A 337 -8.215 -2.493 -1.177 1.00 0.00 C ATOM 443 O PHE A 337 -9.239 -2.738 -1.784 1.00 0.00 O ATOM 444 CB PHE A 337 -9.212 -2.394 1.102 1.00 0.00 C ATOM 445 CG PHE A 337 -9.292 -0.900 0.904 1.00 0.00 C ATOM 446 CD1 PHE A 337 -8.583 -0.043 1.754 1.00 0.00 C ATOM 447 CD2 PHE A 337 -10.066 -0.373 -0.135 1.00 0.00 C ATOM 448 CE1 PHE A 337 -8.651 1.342 1.565 1.00 0.00 C ATOM 449 CE2 PHE A 337 -10.135 1.011 -0.325 1.00 0.00 C ATOM 450 CZ PHE A 337 -9.427 1.870 0.526 1.00 0.00 C ATOM 0 H PHE A 337 -6.700 -1.445 0.974 1.00 0.00 H new ATOM 0 HA PHE A 337 -8.041 -4.038 0.306 1.00 0.00 H new ATOM 0 HB2 PHE A 337 -10.146 -2.864 0.796 1.00 0.00 H new ATOM 0 HB3 PHE A 337 -9.069 -2.626 2.157 1.00 0.00 H new ATOM 0 HD1 PHE A 337 -7.984 -0.450 2.555 1.00 0.00 H new ATOM 0 HD2 PHE A 337 -10.611 -1.035 -0.791 1.00 0.00 H new ATOM 0 HE1 PHE A 337 -8.105 2.004 2.221 1.00 0.00 H new ATOM 0 HE2 PHE A 337 -10.733 1.417 -1.127 1.00 0.00 H new ATOM 0 HZ PHE A 337 -9.480 2.939 0.381 1.00 0.00 H new ATOM 460 N CYS A 338 -7.239 -1.829 -1.743 1.00 0.00 N ATOM 461 CA CYS A 338 -7.382 -1.364 -3.160 1.00 0.00 C ATOM 462 C CYS A 338 -6.237 -1.911 -4.017 1.00 0.00 C ATOM 463 O CYS A 338 -5.809 -1.287 -4.968 1.00 0.00 O ATOM 464 CB CYS A 338 -7.388 0.171 -3.201 1.00 0.00 C ATOM 465 SG CYS A 338 -5.701 0.806 -3.387 1.00 0.00 S ATOM 0 H CYS A 338 -6.356 -1.589 -1.292 1.00 0.00 H new ATOM 0 HA CYS A 338 -8.324 -1.737 -3.563 1.00 0.00 H new ATOM 0 HB2 CYS A 338 -8.007 0.516 -4.029 1.00 0.00 H new ATOM 0 HB3 CYS A 338 -7.832 0.564 -2.286 1.00 0.00 H new ATOM 470 N LEU A 339 -5.749 -3.082 -3.701 1.00 0.00 N ATOM 471 CA LEU A 339 -4.643 -3.670 -4.513 1.00 0.00 C ATOM 472 C LEU A 339 -4.342 -5.091 -4.035 1.00 0.00 C ATOM 473 O LEU A 339 -4.154 -5.997 -4.822 1.00 0.00 O ATOM 474 CB LEU A 339 -3.382 -2.816 -4.357 1.00 0.00 C ATOM 475 CG LEU A 339 -2.300 -3.319 -5.317 1.00 0.00 C ATOM 476 CD1 LEU A 339 -2.694 -2.998 -6.763 1.00 0.00 C ATOM 477 CD2 LEU A 339 -0.973 -2.633 -4.988 1.00 0.00 C ATOM 0 H LEU A 339 -6.067 -3.655 -2.919 1.00 0.00 H new ATOM 0 HA LEU A 339 -4.948 -3.695 -5.559 1.00 0.00 H new ATOM 0 HB2 LEU A 339 -3.610 -1.771 -4.565 1.00 0.00 H new ATOM 0 HB3 LEU A 339 -3.022 -2.865 -3.329 1.00 0.00 H new ATOM 0 HG LEU A 339 -2.195 -4.398 -5.206 1.00 0.00 H new ATOM 0 HD11 LEU A 339 -1.919 -3.359 -7.440 1.00 0.00 H new ATOM 0 HD12 LEU A 339 -3.639 -3.487 -7.000 1.00 0.00 H new ATOM 0 HD13 LEU A 339 -2.804 -1.920 -6.879 1.00 0.00 H new ATOM 0 HD21 LEU A 339 -0.201 -2.989 -5.670 1.00 0.00 H new ATOM 0 HD22 LEU A 339 -1.084 -1.554 -5.097 1.00 0.00 H new ATOM 0 HD23 LEU A 339 -0.687 -2.866 -3.962 1.00 0.00 H new ATOM 489 N ILE A 340 -4.276 -5.282 -2.750 1.00 0.00 N ATOM 490 CA ILE A 340 -3.966 -6.627 -2.200 1.00 0.00 C ATOM 491 C ILE A 340 -5.204 -7.193 -1.492 1.00 0.00 C ATOM 492 O ILE A 340 -6.013 -6.451 -0.970 1.00 0.00 O ATOM 493 CB ILE A 340 -2.819 -6.465 -1.205 1.00 0.00 C ATOM 494 CG1 ILE A 340 -3.311 -5.658 -0.005 1.00 0.00 C ATOM 495 CG2 ILE A 340 -1.664 -5.721 -1.878 1.00 0.00 C ATOM 496 CD1 ILE A 340 -2.127 -5.306 0.898 1.00 0.00 C ATOM 0 H ILE A 340 -4.425 -4.556 -2.050 1.00 0.00 H new ATOM 0 HA ILE A 340 -3.683 -7.316 -2.996 1.00 0.00 H new ATOM 0 HB ILE A 340 -2.476 -7.445 -0.875 1.00 0.00 H new ATOM 0 HG12 ILE A 340 -3.806 -4.748 -0.344 1.00 0.00 H new ATOM 0 HG13 ILE A 340 -4.049 -6.233 0.554 1.00 0.00 H new ATOM 0 HG21 ILE A 340 -0.844 -5.604 -1.169 1.00 0.00 H new ATOM 0 HG22 ILE A 340 -1.319 -6.290 -2.742 1.00 0.00 H new ATOM 0 HG23 ILE A 340 -2.005 -4.738 -2.203 1.00 0.00 H new ATOM 0 HD11 ILE A 340 -2.480 -4.730 1.753 1.00 0.00 H new ATOM 0 HD12 ILE A 340 -1.652 -6.222 1.249 1.00 0.00 H new ATOM 0 HD13 ILE A 340 -1.404 -4.714 0.336 1.00 0.00 H new ATOM 508 N PRO A 341 -5.357 -8.500 -1.467 1.00 0.00 N ATOM 509 CA PRO A 341 -6.517 -9.146 -0.803 1.00 0.00 C ATOM 510 C PRO A 341 -6.811 -8.532 0.574 1.00 0.00 C ATOM 511 O PRO A 341 -7.934 -8.157 0.845 1.00 0.00 O ATOM 512 CB PRO A 341 -6.136 -10.628 -0.681 1.00 0.00 C ATOM 513 CG PRO A 341 -4.798 -10.799 -1.342 1.00 0.00 C ATOM 514 CD PRO A 341 -4.451 -9.491 -2.059 1.00 0.00 C ATOM 0 HA PRO A 341 -7.431 -9.004 -1.379 1.00 0.00 H new ATOM 0 HB2 PRO A 341 -6.089 -10.928 0.366 1.00 0.00 H new ATOM 0 HB3 PRO A 341 -6.885 -11.258 -1.160 1.00 0.00 H new ATOM 0 HG2 PRO A 341 -4.036 -11.041 -0.601 1.00 0.00 H new ATOM 0 HG3 PRO A 341 -4.827 -11.626 -2.052 1.00 0.00 H new ATOM 0 HD2 PRO A 341 -3.407 -9.218 -1.904 1.00 0.00 H new ATOM 0 HD3 PRO A 341 -4.602 -9.575 -3.135 1.00 0.00 H new ATOM 522 N PRO A 342 -5.820 -8.405 1.436 1.00 0.00 N ATOM 523 CA PRO A 342 -6.010 -7.794 2.775 1.00 0.00 C ATOM 524 C PRO A 342 -7.044 -6.662 2.759 1.00 0.00 C ATOM 525 O PRO A 342 -7.390 -6.139 1.720 1.00 0.00 O ATOM 526 CB PRO A 342 -4.625 -7.250 3.107 1.00 0.00 C ATOM 527 CG PRO A 342 -3.660 -8.146 2.398 1.00 0.00 C ATOM 528 CD PRO A 342 -4.420 -8.835 1.258 1.00 0.00 C ATOM 0 HA PRO A 342 -6.390 -8.510 3.504 1.00 0.00 H new ATOM 0 HB2 PRO A 342 -4.519 -6.218 2.773 1.00 0.00 H new ATOM 0 HB3 PRO A 342 -4.449 -7.257 4.183 1.00 0.00 H new ATOM 0 HG2 PRO A 342 -2.821 -7.571 2.006 1.00 0.00 H new ATOM 0 HG3 PRO A 342 -3.248 -8.885 3.085 1.00 0.00 H new ATOM 0 HD2 PRO A 342 -4.033 -8.535 0.284 1.00 0.00 H new ATOM 0 HD3 PRO A 342 -4.327 -9.919 1.317 1.00 0.00 H new ATOM 536 N LEU A 343 -7.542 -6.282 3.905 1.00 0.00 N ATOM 537 CA LEU A 343 -8.557 -5.193 3.957 1.00 0.00 C ATOM 538 C LEU A 343 -8.210 -4.209 5.076 1.00 0.00 C ATOM 539 O LEU A 343 -7.136 -3.646 5.113 1.00 0.00 O ATOM 540 CB LEU A 343 -9.938 -5.797 4.226 1.00 0.00 C ATOM 541 CG LEU A 343 -10.300 -6.786 3.115 1.00 0.00 C ATOM 542 CD1 LEU A 343 -11.613 -7.487 3.466 1.00 0.00 C ATOM 543 CD2 LEU A 343 -10.473 -6.036 1.790 1.00 0.00 C ATOM 0 H LEU A 343 -7.288 -6.680 4.809 1.00 0.00 H new ATOM 0 HA LEU A 343 -8.564 -4.665 3.003 1.00 0.00 H new ATOM 0 HB2 LEU A 343 -9.941 -6.304 5.191 1.00 0.00 H new ATOM 0 HB3 LEU A 343 -10.686 -5.006 4.279 1.00 0.00 H new ATOM 0 HG LEU A 343 -9.502 -7.521 3.017 1.00 0.00 H new ATOM 0 HD11 LEU A 343 -11.872 -8.192 2.676 1.00 0.00 H new ATOM 0 HD12 LEU A 343 -11.498 -8.024 4.408 1.00 0.00 H new ATOM 0 HD13 LEU A 343 -12.406 -6.746 3.565 1.00 0.00 H new ATOM 0 HD21 LEU A 343 -10.731 -6.744 1.002 1.00 0.00 H new ATOM 0 HD22 LEU A 343 -11.270 -5.299 1.890 1.00 0.00 H new ATOM 0 HD23 LEU A 343 -9.542 -5.531 1.534 1.00 0.00 H new ATOM 555 N HIS A 344 -9.121 -3.992 5.986 1.00 0.00 N ATOM 556 CA HIS A 344 -8.855 -3.038 7.098 1.00 0.00 C ATOM 557 C HIS A 344 -7.540 -3.394 7.791 1.00 0.00 C ATOM 558 O HIS A 344 -6.777 -2.530 8.176 1.00 0.00 O ATOM 559 CB HIS A 344 -9.999 -3.107 8.112 1.00 0.00 C ATOM 560 CG HIS A 344 -11.273 -2.643 7.464 1.00 0.00 C ATOM 561 ND1 HIS A 344 -12.287 -3.524 7.110 1.00 0.00 N ATOM 562 CD2 HIS A 344 -11.714 -1.396 7.095 1.00 0.00 C ATOM 563 CE1 HIS A 344 -13.278 -2.800 6.555 1.00 0.00 C ATOM 564 NE2 HIS A 344 -12.977 -1.500 6.524 1.00 0.00 N ATOM 0 H HIS A 344 -10.039 -4.436 6.006 1.00 0.00 H new ATOM 0 HA HIS A 344 -8.783 -2.029 6.692 1.00 0.00 H new ATOM 0 HB2 HIS A 344 -10.115 -4.128 8.476 1.00 0.00 H new ATOM 0 HB3 HIS A 344 -9.771 -2.484 8.977 1.00 0.00 H new ATOM 0 HD2 HIS A 344 -11.164 -0.476 7.228 1.00 0.00 H new ATOM 0 HE1 HIS A 344 -14.201 -3.219 6.182 1.00 0.00 H new ATOM 0 HE2 HIS A 344 -13.553 -0.742 6.158 1.00 0.00 H new ATOM 573 N ASP A 345 -7.270 -4.657 7.964 1.00 0.00 N ATOM 574 CA ASP A 345 -6.009 -5.061 8.642 1.00 0.00 C ATOM 575 C ASP A 345 -4.854 -5.080 7.635 1.00 0.00 C ATOM 576 O ASP A 345 -4.977 -5.599 6.544 1.00 0.00 O ATOM 577 CB ASP A 345 -6.188 -6.455 9.240 1.00 0.00 C ATOM 578 CG ASP A 345 -7.214 -6.398 10.373 1.00 0.00 C ATOM 579 OD1 ASP A 345 -7.544 -5.300 10.793 1.00 0.00 O ATOM 580 OD2 ASP A 345 -7.654 -7.452 10.803 1.00 0.00 O ATOM 0 H ASP A 345 -7.869 -5.427 7.665 1.00 0.00 H new ATOM 0 HA ASP A 345 -5.778 -4.346 9.431 1.00 0.00 H new ATOM 0 HB2 ASP A 345 -6.519 -7.152 8.470 1.00 0.00 H new ATOM 0 HB3 ASP A 345 -5.235 -6.825 9.617 1.00 0.00 H new ATOM 585 N VAL A 346 -3.733 -4.518 7.999 1.00 0.00 N ATOM 586 CA VAL A 346 -2.567 -4.499 7.077 1.00 0.00 C ATOM 587 C VAL A 346 -1.792 -5.821 7.206 1.00 0.00 C ATOM 588 O VAL A 346 -1.694 -6.379 8.280 1.00 0.00 O ATOM 589 CB VAL A 346 -1.654 -3.332 7.450 1.00 0.00 C ATOM 590 CG1 VAL A 346 -2.504 -2.114 7.813 1.00 0.00 C ATOM 591 CG2 VAL A 346 -0.789 -3.725 8.651 1.00 0.00 C ATOM 0 H VAL A 346 -3.576 -4.069 8.901 1.00 0.00 H new ATOM 0 HA VAL A 346 -2.911 -4.381 6.049 1.00 0.00 H new ATOM 0 HB VAL A 346 -1.013 -3.088 6.603 1.00 0.00 H new ATOM 0 HG11 VAL A 346 -1.852 -1.282 8.079 1.00 0.00 H new ATOM 0 HG12 VAL A 346 -3.121 -1.833 6.959 1.00 0.00 H new ATOM 0 HG13 VAL A 346 -3.146 -2.357 8.660 1.00 0.00 H new ATOM 0 HG21 VAL A 346 -0.137 -2.893 8.918 1.00 0.00 H new ATOM 0 HG22 VAL A 346 -1.431 -3.969 9.497 1.00 0.00 H new ATOM 0 HG23 VAL A 346 -0.182 -4.593 8.394 1.00 0.00 H new ATOM 601 N PRO A 347 -1.246 -6.323 6.122 1.00 0.00 N ATOM 602 CA PRO A 347 -0.474 -7.603 6.133 1.00 0.00 C ATOM 603 C PRO A 347 0.779 -7.520 7.012 1.00 0.00 C ATOM 604 O PRO A 347 1.377 -6.473 7.161 1.00 0.00 O ATOM 605 CB PRO A 347 -0.088 -7.830 4.669 1.00 0.00 C ATOM 606 CG PRO A 347 -0.234 -6.505 3.997 1.00 0.00 C ATOM 607 CD PRO A 347 -1.295 -5.732 4.777 1.00 0.00 C ATOM 0 HA PRO A 347 -1.065 -8.418 6.550 1.00 0.00 H new ATOM 0 HB2 PRO A 347 0.934 -8.199 4.587 1.00 0.00 H new ATOM 0 HB3 PRO A 347 -0.734 -8.576 4.206 1.00 0.00 H new ATOM 0 HG2 PRO A 347 0.713 -5.966 3.994 1.00 0.00 H new ATOM 0 HG3 PRO A 347 -0.533 -6.630 2.956 1.00 0.00 H new ATOM 0 HD2 PRO A 347 -1.074 -4.665 4.801 1.00 0.00 H new ATOM 0 HD3 PRO A 347 -2.282 -5.843 4.327 1.00 0.00 H new ATOM 615 N LYS A 348 1.180 -8.618 7.594 1.00 0.00 N ATOM 616 CA LYS A 348 2.391 -8.609 8.463 1.00 0.00 C ATOM 617 C LYS A 348 3.633 -8.950 7.643 1.00 0.00 C ATOM 618 O LYS A 348 3.549 -9.421 6.526 1.00 0.00 O ATOM 619 CB LYS A 348 2.231 -9.633 9.585 1.00 0.00 C ATOM 620 CG LYS A 348 1.194 -9.128 10.584 1.00 0.00 C ATOM 621 CD LYS A 348 1.089 -10.109 11.755 1.00 0.00 C ATOM 622 CE LYS A 348 -0.029 -9.662 12.698 1.00 0.00 C ATOM 623 NZ LYS A 348 0.360 -8.386 13.360 1.00 0.00 N ATOM 0 H LYS A 348 0.719 -9.524 7.504 1.00 0.00 H new ATOM 0 HA LYS A 348 2.506 -7.613 8.890 1.00 0.00 H new ATOM 0 HB2 LYS A 348 1.920 -10.594 9.175 1.00 0.00 H new ATOM 0 HB3 LYS A 348 3.186 -9.794 10.085 1.00 0.00 H new ATOM 0 HG2 LYS A 348 1.476 -8.140 10.948 1.00 0.00 H new ATOM 0 HG3 LYS A 348 0.225 -9.023 10.096 1.00 0.00 H new ATOM 0 HD2 LYS A 348 0.886 -11.114 11.384 1.00 0.00 H new ATOM 0 HD3 LYS A 348 2.036 -10.153 12.292 1.00 0.00 H new ATOM 0 HE2 LYS A 348 -0.956 -9.527 12.141 1.00 0.00 H new ATOM 0 HE3 LYS A 348 -0.216 -10.431 13.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 348 -0.285 -8.196 14.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 348 1.334 -8.463 13.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 348 0.303 -7.607 12.673 1.00 0.00 H new ATOM 637 N GLY A 349 4.788 -8.715 8.200 1.00 0.00 N ATOM 638 CA GLY A 349 6.052 -9.022 7.468 1.00 0.00 C ATOM 639 C GLY A 349 6.470 -7.814 6.629 1.00 0.00 C ATOM 640 O GLY A 349 5.966 -6.722 6.800 1.00 0.00 O ATOM 0 H GLY A 349 4.913 -8.323 9.133 1.00 0.00 H new ATOM 0 HA2 GLY A 349 6.841 -9.275 8.176 1.00 0.00 H new ATOM 0 HA3 GLY A 349 5.909 -9.891 6.826 1.00 0.00 H new ATOM 644 N ASP A 350 7.388 -8.002 5.721 1.00 0.00 N ATOM 645 CA ASP A 350 7.837 -6.867 4.869 1.00 0.00 C ATOM 646 C ASP A 350 6.783 -6.606 3.795 1.00 0.00 C ATOM 647 O ASP A 350 6.432 -7.482 3.032 1.00 0.00 O ATOM 648 CB ASP A 350 9.169 -7.219 4.204 1.00 0.00 C ATOM 649 CG ASP A 350 9.698 -6.003 3.443 1.00 0.00 C ATOM 650 OD1 ASP A 350 9.101 -4.946 3.568 1.00 0.00 O ATOM 651 OD2 ASP A 350 10.690 -6.148 2.748 1.00 0.00 O ATOM 0 H ASP A 350 7.846 -8.894 5.533 1.00 0.00 H new ATOM 0 HA ASP A 350 7.968 -5.976 5.482 1.00 0.00 H new ATOM 0 HB2 ASP A 350 9.892 -7.532 4.957 1.00 0.00 H new ATOM 0 HB3 ASP A 350 9.036 -8.058 3.522 1.00 0.00 H new ATOM 656 N TRP A 351 6.263 -5.412 3.738 1.00 0.00 N ATOM 657 CA TRP A 351 5.221 -5.108 2.720 1.00 0.00 C ATOM 658 C TRP A 351 5.869 -4.981 1.340 1.00 0.00 C ATOM 659 O TRP A 351 6.756 -4.178 1.132 1.00 0.00 O ATOM 660 CB TRP A 351 4.537 -3.792 3.086 1.00 0.00 C ATOM 661 CG TRP A 351 4.135 -3.829 4.526 1.00 0.00 C ATOM 662 CD1 TRP A 351 3.370 -4.788 5.095 1.00 0.00 C ATOM 663 CD2 TRP A 351 4.466 -2.885 5.587 1.00 0.00 C ATOM 664 NE1 TRP A 351 3.210 -4.494 6.438 1.00 0.00 N ATOM 665 CE2 TRP A 351 3.866 -3.330 6.788 1.00 0.00 C ATOM 666 CE3 TRP A 351 5.220 -1.698 5.622 1.00 0.00 C ATOM 667 CZ2 TRP A 351 4.009 -2.624 7.983 1.00 0.00 C ATOM 668 CZ3 TRP A 351 5.366 -0.984 6.823 1.00 0.00 C ATOM 669 CH2 TRP A 351 4.762 -1.446 8.000 1.00 0.00 C ATOM 0 H TRP A 351 6.514 -4.636 4.351 1.00 0.00 H new ATOM 0 HA TRP A 351 4.486 -5.913 2.696 1.00 0.00 H new ATOM 0 HB2 TRP A 351 5.212 -2.955 2.906 1.00 0.00 H new ATOM 0 HB3 TRP A 351 3.661 -3.636 2.456 1.00 0.00 H new ATOM 0 HD1 TRP A 351 2.952 -5.643 4.585 1.00 0.00 H new ATOM 0 HE1 TRP A 351 2.673 -5.067 7.089 1.00 0.00 H new ATOM 0 HE3 TRP A 351 5.689 -1.333 4.720 1.00 0.00 H new ATOM 0 HZ2 TRP A 351 3.542 -2.985 8.888 1.00 0.00 H new ATOM 0 HZ3 TRP A 351 5.947 -0.074 6.839 1.00 0.00 H new ATOM 0 HH2 TRP A 351 4.878 -0.892 8.920 1.00 0.00 H new ATOM 680 N ARG A 352 5.424 -5.767 0.397 1.00 0.00 N ATOM 681 CA ARG A 352 6.000 -5.698 -0.975 1.00 0.00 C ATOM 682 C ARG A 352 4.877 -5.584 -2.005 1.00 0.00 C ATOM 683 O ARG A 352 3.896 -6.300 -1.941 1.00 0.00 O ATOM 684 CB ARG A 352 6.806 -6.968 -1.252 1.00 0.00 C ATOM 685 CG ARG A 352 8.047 -6.995 -0.361 1.00 0.00 C ATOM 686 CD ARG A 352 8.925 -8.182 -0.759 1.00 0.00 C ATOM 687 NE ARG A 352 10.067 -8.299 0.189 1.00 0.00 N ATOM 688 CZ ARG A 352 11.050 -7.443 0.135 1.00 0.00 C ATOM 689 NH1 ARG A 352 11.030 -6.481 -0.746 1.00 0.00 N ATOM 690 NH2 ARG A 352 12.052 -7.548 0.965 1.00 0.00 N ATOM 0 H ARG A 352 4.683 -6.457 0.520 1.00 0.00 H new ATOM 0 HA ARG A 352 6.648 -4.824 -1.047 1.00 0.00 H new ATOM 0 HB2 ARG A 352 6.192 -7.848 -1.063 1.00 0.00 H new ATOM 0 HB3 ARG A 352 7.099 -7.003 -2.301 1.00 0.00 H new ATOM 0 HG2 ARG A 352 8.604 -6.064 -0.465 1.00 0.00 H new ATOM 0 HG3 ARG A 352 7.756 -7.077 0.686 1.00 0.00 H new ATOM 0 HD2 ARG A 352 8.338 -9.100 -0.752 1.00 0.00 H new ATOM 0 HD3 ARG A 352 9.295 -8.049 -1.775 1.00 0.00 H new ATOM 0 HE ARG A 352 10.081 -9.048 0.881 1.00 0.00 H new ATOM 0 HH11 ARG A 352 10.246 -6.398 -1.393 1.00 0.00 H new ATOM 0 HH12 ARG A 352 11.799 -5.812 -0.788 1.00 0.00 H new ATOM 0 HH21 ARG A 352 12.066 -8.299 1.655 1.00 0.00 H new ATOM 0 HH22 ARG A 352 12.821 -6.879 0.923 1.00 0.00 H new ATOM 704 N CYS A 353 5.010 -4.711 -2.970 1.00 0.00 N ATOM 705 CA CYS A 353 3.944 -4.601 -3.997 1.00 0.00 C ATOM 706 C CYS A 353 4.075 -5.808 -4.943 1.00 0.00 C ATOM 707 O CYS A 353 5.153 -6.330 -5.132 1.00 0.00 O ATOM 708 CB CYS A 353 4.078 -3.263 -4.744 1.00 0.00 C ATOM 709 SG CYS A 353 5.680 -3.125 -5.575 1.00 0.00 S ATOM 0 H CYS A 353 5.802 -4.079 -3.087 1.00 0.00 H new ATOM 0 HA CYS A 353 2.953 -4.614 -3.543 1.00 0.00 H new ATOM 0 HB2 CYS A 353 3.277 -3.173 -5.478 1.00 0.00 H new ATOM 0 HB3 CYS A 353 3.960 -2.439 -4.041 1.00 0.00 H new ATOM 714 N PRO A 354 2.985 -6.287 -5.489 1.00 0.00 N ATOM 715 CA PRO A 354 2.986 -7.496 -6.373 1.00 0.00 C ATOM 716 C PRO A 354 4.039 -7.472 -7.491 1.00 0.00 C ATOM 717 O PRO A 354 4.551 -8.503 -7.877 1.00 0.00 O ATOM 718 CB PRO A 354 1.576 -7.528 -6.981 1.00 0.00 C ATOM 719 CG PRO A 354 0.903 -6.254 -6.573 1.00 0.00 C ATOM 720 CD PRO A 354 1.629 -5.746 -5.332 1.00 0.00 C ATOM 0 HA PRO A 354 3.242 -8.378 -5.786 1.00 0.00 H new ATOM 0 HB2 PRO A 354 1.624 -7.610 -8.067 1.00 0.00 H new ATOM 0 HB3 PRO A 354 1.019 -8.393 -6.621 1.00 0.00 H new ATOM 0 HG2 PRO A 354 0.950 -5.518 -7.376 1.00 0.00 H new ATOM 0 HG3 PRO A 354 -0.152 -6.426 -6.360 1.00 0.00 H new ATOM 0 HD2 PRO A 354 1.633 -4.657 -5.286 1.00 0.00 H new ATOM 0 HD3 PRO A 354 1.157 -6.102 -4.416 1.00 0.00 H new ATOM 728 N LYS A 355 4.368 -6.330 -8.026 1.00 0.00 N ATOM 729 CA LYS A 355 5.377 -6.312 -9.130 1.00 0.00 C ATOM 730 C LYS A 355 6.688 -6.949 -8.663 1.00 0.00 C ATOM 731 O LYS A 355 7.254 -7.780 -9.345 1.00 0.00 O ATOM 732 CB LYS A 355 5.636 -4.874 -9.582 1.00 0.00 C ATOM 733 CG LYS A 355 5.748 -3.975 -8.359 1.00 0.00 C ATOM 734 CD LYS A 355 6.063 -2.544 -8.802 1.00 0.00 C ATOM 735 CE LYS A 355 4.886 -1.981 -9.603 1.00 0.00 C ATOM 736 NZ LYS A 355 4.748 -0.523 -9.325 1.00 0.00 N ATOM 0 H LYS A 355 3.992 -5.421 -7.755 1.00 0.00 H new ATOM 0 HA LYS A 355 4.983 -6.886 -9.969 1.00 0.00 H new ATOM 0 HB2 LYS A 355 6.553 -4.825 -10.169 1.00 0.00 H new ATOM 0 HB3 LYS A 355 4.826 -4.532 -10.226 1.00 0.00 H new ATOM 0 HG2 LYS A 355 4.816 -3.995 -7.794 1.00 0.00 H new ATOM 0 HG3 LYS A 355 6.531 -4.342 -7.696 1.00 0.00 H new ATOM 0 HD2 LYS A 355 6.256 -1.917 -7.931 1.00 0.00 H new ATOM 0 HD3 LYS A 355 6.968 -2.532 -9.410 1.00 0.00 H new ATOM 0 HE2 LYS A 355 5.046 -2.145 -10.669 1.00 0.00 H new ATOM 0 HE3 LYS A 355 3.967 -2.502 -9.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 355 3.949 -0.140 -9.869 1.00 0.00 H new ATOM 0 HZ2 LYS A 355 4.577 -0.378 -8.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 355 5.622 -0.032 -9.602 1.00 0.00 H new ATOM 750 N CYS A 356 7.176 -6.586 -7.511 1.00 0.00 N ATOM 751 CA CYS A 356 8.445 -7.200 -7.026 1.00 0.00 C ATOM 752 C CYS A 356 8.178 -8.648 -6.614 1.00 0.00 C ATOM 753 O CYS A 356 9.018 -9.512 -6.770 1.00 0.00 O ATOM 754 CB CYS A 356 9.013 -6.414 -5.839 1.00 0.00 C ATOM 755 SG CYS A 356 7.707 -6.048 -4.644 1.00 0.00 S ATOM 0 H CYS A 356 6.756 -5.896 -6.888 1.00 0.00 H new ATOM 0 HA CYS A 356 9.179 -7.175 -7.831 1.00 0.00 H new ATOM 0 HB2 CYS A 356 9.804 -6.990 -5.358 1.00 0.00 H new ATOM 0 HB3 CYS A 356 9.463 -5.486 -6.191 1.00 0.00 H new ATOM 760 N LEU A 357 7.018 -8.919 -6.080 1.00 0.00 N ATOM 761 CA LEU A 357 6.704 -10.311 -5.652 1.00 0.00 C ATOM 762 C LEU A 357 6.866 -11.258 -6.841 1.00 0.00 C ATOM 763 O LEU A 357 7.334 -12.372 -6.701 1.00 0.00 O ATOM 764 CB LEU A 357 5.263 -10.375 -5.139 1.00 0.00 C ATOM 765 CG LEU A 357 4.976 -11.775 -4.588 1.00 0.00 C ATOM 766 CD1 LEU A 357 5.779 -12.002 -3.303 1.00 0.00 C ATOM 767 CD2 LEU A 357 3.482 -11.903 -4.281 1.00 0.00 C ATOM 0 H LEU A 357 6.276 -8.238 -5.922 1.00 0.00 H new ATOM 0 HA LEU A 357 7.386 -10.609 -4.855 1.00 0.00 H new ATOM 0 HB2 LEU A 357 5.110 -9.628 -4.360 1.00 0.00 H new ATOM 0 HB3 LEU A 357 4.568 -10.141 -5.946 1.00 0.00 H new ATOM 0 HG LEU A 357 5.265 -12.520 -5.330 1.00 0.00 H new ATOM 0 HD11 LEU A 357 5.571 -12.999 -2.915 1.00 0.00 H new ATOM 0 HD12 LEU A 357 6.844 -11.911 -3.518 1.00 0.00 H new ATOM 0 HD13 LEU A 357 5.494 -11.257 -2.560 1.00 0.00 H new ATOM 0 HD21 LEU A 357 3.275 -12.899 -3.889 1.00 0.00 H new ATOM 0 HD22 LEU A 357 3.197 -11.155 -3.541 1.00 0.00 H new ATOM 0 HD23 LEU A 357 2.908 -11.747 -5.194 1.00 0.00 H new ATOM 779 N ALA A 358 6.487 -10.826 -8.011 1.00 0.00 N ATOM 780 CA ALA A 358 6.622 -11.704 -9.207 1.00 0.00 C ATOM 781 C ALA A 358 8.102 -12.014 -9.442 1.00 0.00 C ATOM 782 O ALA A 358 8.461 -13.100 -9.850 1.00 0.00 O ATOM 783 CB ALA A 358 6.049 -10.989 -10.432 1.00 0.00 C ATOM 0 H ALA A 358 6.090 -9.904 -8.191 1.00 0.00 H new ATOM 0 HA ALA A 358 6.076 -12.633 -9.042 1.00 0.00 H new ATOM 0 HB1 ALA A 358 6.148 -11.631 -11.307 1.00 0.00 H new ATOM 0 HB2 ALA A 358 4.996 -10.765 -10.263 1.00 0.00 H new ATOM 0 HB3 ALA A 358 6.595 -10.061 -10.600 1.00 0.00 H new ATOM 789 N GLN A 359 8.961 -11.068 -9.186 1.00 0.00 N ATOM 790 CA GLN A 359 10.418 -11.308 -9.394 1.00 0.00 C ATOM 791 C GLN A 359 10.878 -12.455 -8.493 1.00 0.00 C ATOM 792 O GLN A 359 11.725 -13.245 -8.860 1.00 0.00 O ATOM 793 CB GLN A 359 11.201 -10.039 -9.047 1.00 0.00 C ATOM 794 CG GLN A 359 10.828 -8.925 -10.027 1.00 0.00 C ATOM 795 CD GLN A 359 11.580 -7.646 -9.655 1.00 0.00 C ATOM 796 OE1 GLN A 359 12.101 -7.528 -8.564 1.00 0.00 O ATOM 797 NE2 GLN A 359 11.660 -6.675 -10.525 1.00 0.00 N ATOM 0 H GLN A 359 8.719 -10.139 -8.842 1.00 0.00 H new ATOM 0 HA GLN A 359 10.598 -11.570 -10.437 1.00 0.00 H new ATOM 0 HB2 GLN A 359 10.978 -9.729 -8.026 1.00 0.00 H new ATOM 0 HB3 GLN A 359 12.272 -10.236 -9.094 1.00 0.00 H new ATOM 0 HG2 GLN A 359 11.077 -9.223 -11.045 1.00 0.00 H new ATOM 0 HG3 GLN A 359 9.753 -8.748 -10.001 1.00 0.00 H new ATOM 0 HE21 GLN A 359 11.223 -6.774 -11.441 1.00 0.00 H new ATOM 0 HE22 GLN A 359 12.160 -5.818 -10.288 1.00 0.00 H new ATOM 806 N GLU A 360 10.326 -12.552 -7.315 1.00 0.00 N ATOM 807 CA GLU A 360 10.731 -13.648 -6.390 1.00 0.00 C ATOM 808 C GLU A 360 10.396 -14.999 -7.023 1.00 0.00 C ATOM 809 O GLU A 360 9.220 -15.293 -7.159 1.00 0.00 O ATOM 810 CB GLU A 360 9.977 -13.504 -5.067 1.00 0.00 C ATOM 811 CG GLU A 360 10.492 -14.543 -4.070 1.00 0.00 C ATOM 812 CD GLU A 360 9.670 -14.467 -2.782 1.00 0.00 C ATOM 813 OE1 GLU A 360 8.747 -13.670 -2.738 1.00 0.00 O ATOM 814 OE2 GLU A 360 9.978 -15.206 -1.861 1.00 0.00 O ATOM 815 OXT GLU A 360 11.323 -15.718 -7.362 1.00 0.00 O ATOM 0 H GLU A 360 9.612 -11.920 -6.953 1.00 0.00 H new ATOM 0 HA GLU A 360 11.804 -13.589 -6.205 1.00 0.00 H new ATOM 0 HB2 GLU A 360 10.114 -12.500 -4.665 1.00 0.00 H new ATOM 0 HB3 GLU A 360 8.908 -13.639 -5.229 1.00 0.00 H new ATOM 0 HG2 GLU A 360 10.421 -15.542 -4.501 1.00 0.00 H new ATOM 0 HG3 GLU A 360 11.545 -14.363 -3.853 1.00 0.00 H new TER 822 GLU A 360 HETATM 823 ZN ZN A 401 -5.766 3.087 -3.039 1.00 0.00 ZN HETATM 824 ZN ZN A 402 7.598 -3.758 -4.505 1.00 0.00 ZN