USER MOD reduce.3.24.130724 H: found=0, std=0, add=743, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 745 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 532 ASN : amide:sc= 1.86 K(o=3,f=-7.6!) USER MOD Set 1.2: A 534 THR OG1 : rot 10:sc= 1.14 USER MOD Set 2.1: A 505 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 507 SER OG : rot 13:sc= 0.454 USER MOD Set 3.1: A 506 HIS : no HD1:sc= -0.0235 X(o=-0.00099,f=0) USER MOD Set 3.2: A 515 LYS NZ :NH3+ -165:sc= 0.0225 (180deg=0.00676) USER MOD Set 4.1: A 463 SER OG : rot 180:sc= 0 USER MOD Set 4.2: A 488 THR OG1 : rot 10:sc= 0.0444 USER MOD Single : A 436 THR OG1 : rot 40:sc= 0.132 USER MOD Single : A 437 SER OG : rot -29:sc= 0.0744 USER MOD Single : A 456 ASN : amide:sc= -2.76! C(o=-2.8!,f=-8.7!) USER MOD Single : A 457 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 458 SER OG : rot 180:sc= 0.0405 USER MOD Single : A 459 ASN : amide:sc= 0.0639 X(o=0.064,f=-0.22) USER MOD Single : A 462 GLN : amide:sc= -1.13! C(o=-1.1!,f=-3!) USER MOD Single : A 464 MET CE :methyl 162:sc= -1.75 (180deg=-2.78) USER MOD Single : A 466 ASN :FLIP amide:sc= -0.0141 F(o=-1.2,f=-0.014) USER MOD Single : A 468 GLN : amide:sc= -0.498 X(o=-0.5,f=0) USER MOD Single : A 470 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 472 GLN : amide:sc= 0.363 K(o=0.36,f=-4.8!) USER MOD Single : A 480 THR OG1 : rot 5:sc= 0.577 USER MOD Single : A 481 TYR OH : rot 30:sc= -0.187 USER MOD Single : A 486 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0912) USER MOD Single : A 490 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 493 GLN :FLIP amide:sc= -9.37! C(o=-14!,f=-9.4!) USER MOD Single : A 496 THR OG1 : rot 180:sc= 0 USER MOD Single : A 510 THR OG1 : rot 19:sc= 0.708 USER MOD Single : A 517 GLN : amide:sc= 0.259 K(o=0.26,f=-0.83) USER MOD Single : A 528 THR OG1 : rot -140:sc= 0 USER MOD Single : A 533 SER OG : rot 150:sc= -0.284 USER MOD Single : A 540 MET CE :methyl 180:sc= -0.542 (180deg=-0.542) USER MOD Single : A 542 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 88 N ALA A 434 -3.203 -5.413 -9.153 1.00 0.55 N ATOM 89 CA ALA A 434 -3.364 -5.449 -7.730 1.00 0.55 C ATOM 90 C ALA A 434 -4.223 -6.649 -7.439 1.00 0.55 C ATOM 91 O ALA A 434 -4.921 -7.153 -8.322 1.00 0.55 O ATOM 92 CB ALA A 434 -3.800 -4.117 -7.120 1.00 0.55 C ATOM 0 HA ALA A 434 -2.411 -5.576 -7.216 1.00 0.55 H new ATOM 0 HB1 ALA A 434 -3.900 -4.227 -6.040 1.00 0.55 H new ATOM 0 HB2 ALA A 434 -3.053 -3.354 -7.340 1.00 0.55 H new ATOM 0 HB3 ALA A 434 -4.759 -3.819 -7.544 1.00 0.55 H new ATOM 98 N ARG A 435 -4.160 -7.140 -6.177 1.00 0.93 N ATOM 99 CA ARG A 435 -4.847 -8.324 -5.676 1.00 0.93 C ATOM 100 C ARG A 435 -5.178 -8.159 -4.199 1.00 0.93 C ATOM 101 O ARG A 435 -4.482 -7.491 -3.432 1.00 0.93 O ATOM 102 CB ARG A 435 -3.955 -9.577 -5.910 1.00 0.93 C ATOM 103 CG ARG A 435 -4.598 -10.953 -5.638 1.00 0.93 C ATOM 104 CD ARG A 435 -3.591 -12.121 -5.670 1.00 0.93 C ATOM 105 NE ARG A 435 -2.511 -11.916 -4.633 1.00 0.93 N ATOM 106 CZ ARG A 435 -2.668 -12.149 -3.291 1.00 0.93 C ATOM 107 NH1 ARG A 435 -3.834 -12.647 -2.788 1.00 0.93 N ATOM 108 NH2 ARG A 435 -1.636 -11.868 -2.441 1.00 0.93 N ATOM 0 H ARG A 435 -3.597 -6.688 -5.457 1.00 0.93 H new ATOM 0 HA ARG A 435 -5.785 -8.455 -6.216 1.00 0.93 H new ATOM 0 HB2 ARG A 435 -3.613 -9.561 -6.945 1.00 0.93 H new ATOM 0 HB3 ARG A 435 -3.070 -9.486 -5.280 1.00 0.93 H new ATOM 0 HG2 ARG A 435 -5.085 -10.931 -4.663 1.00 0.93 H new ATOM 0 HG3 ARG A 435 -5.376 -11.134 -6.380 1.00 0.93 H new ATOM 0 HD2 ARG A 435 -4.109 -13.061 -5.483 1.00 0.93 H new ATOM 0 HD3 ARG A 435 -3.143 -12.196 -6.661 1.00 0.93 H new ATOM 0 HE ARG A 435 -1.602 -11.581 -4.954 1.00 0.93 H new ATOM 0 HH11 ARG A 435 -4.612 -12.854 -3.414 1.00 0.93 H new ATOM 0 HH12 ARG A 435 -3.928 -12.812 -1.786 1.00 0.93 H new ATOM 0 HH21 ARG A 435 -0.762 -11.490 -2.807 1.00 0.93 H new ATOM 0 HH22 ARG A 435 -1.739 -12.036 -1.440 1.00 0.93 H new ATOM 122 N THR A 436 -6.332 -8.737 -3.791 1.00 0.95 N ATOM 123 CA THR A 436 -6.995 -8.504 -2.521 1.00 0.95 C ATOM 124 C THR A 436 -7.331 -9.698 -1.679 1.00 0.95 C ATOM 125 O THR A 436 -7.741 -10.730 -2.209 1.00 0.95 O ATOM 126 CB THR A 436 -8.412 -7.989 -2.872 1.00 0.95 C ATOM 127 OG1 THR A 436 -9.148 -8.802 -3.800 1.00 0.95 O ATOM 128 CG2 THR A 436 -8.228 -6.657 -3.572 1.00 0.95 C ATOM 0 H THR A 436 -6.835 -9.405 -4.376 1.00 0.95 H new ATOM 0 HA THR A 436 -6.300 -7.869 -1.971 1.00 0.95 H new ATOM 0 HB THR A 436 -8.969 -7.968 -1.936 1.00 0.95 H new ATOM 0 HG1 THR A 436 -8.998 -9.749 -3.596 1.00 0.95 H new ATOM 0 HG21 THR A 436 -9.203 -6.250 -3.842 1.00 0.95 H new ATOM 0 HG22 THR A 436 -7.717 -5.963 -2.905 1.00 0.95 H new ATOM 0 HG23 THR A 436 -7.632 -6.799 -4.474 1.00 0.95 H new ATOM 136 N SER A 437 -7.391 -9.477 -0.339 1.00 0.67 N ATOM 137 CA SER A 437 -8.118 -10.400 0.547 1.00 0.67 C ATOM 138 C SER A 437 -9.658 -10.241 0.595 1.00 0.67 C ATOM 139 O SER A 437 -10.287 -11.243 0.928 1.00 0.67 O ATOM 140 CB SER A 437 -7.584 -10.402 2.001 1.00 0.67 C ATOM 141 OG SER A 437 -7.972 -11.527 2.790 1.00 0.67 O ATOM 0 H SER A 437 -6.954 -8.686 0.134 1.00 0.67 H new ATOM 0 HA SER A 437 -7.914 -11.356 0.065 1.00 0.67 H new ATOM 0 HB2 SER A 437 -6.495 -10.358 1.971 1.00 0.67 H new ATOM 0 HB3 SER A 437 -7.927 -9.494 2.498 1.00 0.67 H new ATOM 0 HG SER A 437 -8.841 -11.859 2.481 1.00 0.67 H new ATOM 147 N GLY A 438 -10.334 -9.064 0.315 1.00 0.59 N ATOM 148 CA GLY A 438 -11.801 -9.008 0.408 1.00 0.59 C ATOM 149 C GLY A 438 -12.150 -7.836 1.249 1.00 0.59 C ATOM 150 O GLY A 438 -12.401 -6.748 0.746 1.00 0.59 O ATOM 0 H GLY A 438 -9.886 -8.191 0.037 1.00 0.59 H new ATOM 0 HA2 GLY A 438 -12.245 -8.914 -0.583 1.00 0.59 H new ATOM 0 HA3 GLY A 438 -12.193 -9.925 0.847 1.00 0.59 H new ATOM 154 N ARG A 439 -12.068 -7.987 2.595 1.00 0.60 N ATOM 155 CA ARG A 439 -12.153 -6.967 3.657 1.00 0.60 C ATOM 156 C ARG A 439 -11.084 -5.858 3.629 1.00 0.60 C ATOM 157 O ARG A 439 -11.034 -4.995 4.495 1.00 0.60 O ATOM 158 CB ARG A 439 -12.429 -7.610 5.039 1.00 0.60 C ATOM 159 CG ARG A 439 -11.850 -9.022 5.266 1.00 0.60 C ATOM 160 CD ARG A 439 -10.321 -9.187 5.165 1.00 0.60 C ATOM 161 NE ARG A 439 -9.673 -8.677 6.430 1.00 0.60 N ATOM 162 CZ ARG A 439 -8.635 -9.316 7.059 1.00 0.60 C ATOM 163 NH1 ARG A 439 -8.086 -10.451 6.536 1.00 0.60 N ATOM 164 NH2 ARG A 439 -8.145 -8.817 8.231 1.00 0.60 N ATOM 0 H ARG A 439 -11.928 -8.914 2.996 1.00 0.60 H new ATOM 0 HA ARG A 439 -13.035 -6.372 3.420 1.00 0.60 H new ATOM 0 HB2 ARG A 439 -12.030 -6.949 5.809 1.00 0.60 H new ATOM 0 HB3 ARG A 439 -13.508 -7.656 5.185 1.00 0.60 H new ATOM 0 HG2 ARG A 439 -12.160 -9.358 6.255 1.00 0.60 H new ATOM 0 HG3 ARG A 439 -12.310 -9.695 4.542 1.00 0.60 H new ATOM 0 HD2 ARG A 439 -10.067 -10.236 5.012 1.00 0.60 H new ATOM 0 HD3 ARG A 439 -9.942 -8.638 4.303 1.00 0.60 H new ATOM 0 HE ARG A 439 -10.026 -7.811 6.838 1.00 0.60 H new ATOM 0 HH11 ARG A 439 -8.447 -10.837 5.664 1.00 0.60 H new ATOM 0 HH12 ARG A 439 -7.314 -10.913 7.017 1.00 0.60 H new ATOM 0 HH21 ARG A 439 -8.551 -7.973 8.635 1.00 0.60 H new ATOM 0 HH22 ARG A 439 -7.373 -9.288 8.703 1.00 0.60 H new ATOM 178 N VAL A 440 -10.244 -5.856 2.554 1.00 0.36 N ATOM 179 CA VAL A 440 -9.318 -4.854 2.112 1.00 0.36 C ATOM 180 C VAL A 440 -9.257 -5.079 0.613 1.00 0.36 C ATOM 181 O VAL A 440 -9.172 -6.223 0.159 1.00 0.36 O ATOM 182 CB VAL A 440 -7.897 -4.873 2.681 1.00 0.36 C ATOM 183 CG1 VAL A 440 -7.246 -3.532 2.333 1.00 0.36 C ATOM 184 CG2 VAL A 440 -7.964 -4.949 4.213 1.00 0.36 C ATOM 0 H VAL A 440 -10.223 -6.661 1.928 1.00 0.36 H new ATOM 0 HA VAL A 440 -9.681 -3.887 2.459 1.00 0.36 H new ATOM 0 HB VAL A 440 -7.344 -5.721 2.278 1.00 0.36 H new ATOM 0 HG11 VAL A 440 -6.229 -3.509 2.724 1.00 0.36 H new ATOM 0 HG12 VAL A 440 -7.222 -3.410 1.250 1.00 0.36 H new ATOM 0 HG13 VAL A 440 -7.824 -2.721 2.777 1.00 0.36 H new ATOM 0 HG21 VAL A 440 -6.953 -4.963 4.621 1.00 0.36 H new ATOM 0 HG22 VAL A 440 -8.499 -4.080 4.597 1.00 0.36 H new ATOM 0 HG23 VAL A 440 -8.487 -5.858 4.510 1.00 0.36 H new ATOM 194 N ALA A 441 -9.192 -3.992 -0.171 1.00 0.28 N ATOM 195 CA ALA A 441 -8.864 -3.977 -1.573 1.00 0.28 C ATOM 196 C ALA A 441 -7.986 -2.792 -1.856 1.00 0.28 C ATOM 197 O ALA A 441 -8.230 -1.707 -1.326 1.00 0.28 O ATOM 198 CB ALA A 441 -10.110 -3.842 -2.491 1.00 0.28 C ATOM 0 H ALA A 441 -9.380 -3.058 0.192 1.00 0.28 H new ATOM 0 HA ALA A 441 -8.375 -4.928 -1.786 1.00 0.28 H new ATOM 0 HB1 ALA A 441 -9.794 -3.837 -3.534 1.00 0.28 H new ATOM 0 HB2 ALA A 441 -10.781 -4.683 -2.319 1.00 0.28 H new ATOM 0 HB3 ALA A 441 -10.630 -2.911 -2.265 1.00 0.28 H new ATOM 204 N VAL A 442 -6.989 -2.934 -2.785 1.00 0.46 N ATOM 205 CA VAL A 442 -6.200 -1.806 -3.296 1.00 0.46 C ATOM 206 C VAL A 442 -7.021 -1.350 -4.507 1.00 0.46 C ATOM 207 O VAL A 442 -7.017 -1.953 -5.581 1.00 0.46 O ATOM 208 CB VAL A 442 -4.724 -2.087 -3.557 1.00 0.46 C ATOM 209 CG1 VAL A 442 -3.931 -0.829 -3.189 1.00 0.46 C ATOM 210 CG2 VAL A 442 -4.179 -3.163 -2.611 1.00 0.46 C ATOM 0 H VAL A 442 -6.725 -3.834 -3.187 1.00 0.46 H new ATOM 0 HA VAL A 442 -6.073 -1.016 -2.556 1.00 0.46 H new ATOM 0 HB VAL A 442 -4.628 -2.394 -4.598 1.00 0.46 H new ATOM 0 HG11 VAL A 442 -2.870 -1.003 -3.367 1.00 0.46 H new ATOM 0 HG12 VAL A 442 -4.269 0.007 -3.802 1.00 0.46 H new ATOM 0 HG13 VAL A 442 -4.089 -0.594 -2.136 1.00 0.46 H new ATOM 0 HG21 VAL A 442 -3.125 -3.337 -2.826 1.00 0.46 H new ATOM 0 HG22 VAL A 442 -4.288 -2.829 -1.579 1.00 0.46 H new ATOM 0 HG23 VAL A 442 -4.736 -4.089 -2.754 1.00 0.46 H new ATOM 220 N GLU A 443 -7.893 -0.349 -4.195 1.00 0.54 N ATOM 221 CA GLU A 443 -9.076 0.026 -4.963 1.00 0.54 C ATOM 222 C GLU A 443 -8.776 1.061 -6.026 1.00 0.54 C ATOM 223 O GLU A 443 -9.106 0.892 -7.197 1.00 0.54 O ATOM 224 CB GLU A 443 -10.198 0.484 -3.985 1.00 0.54 C ATOM 225 CG GLU A 443 -11.641 0.128 -4.412 1.00 0.54 C ATOM 226 CD GLU A 443 -12.099 0.895 -5.653 1.00 0.54 C ATOM 227 OE1 GLU A 443 -12.198 2.149 -5.577 1.00 0.54 O ATOM 228 OE2 GLU A 443 -12.363 0.235 -6.694 1.00 0.54 O ATOM 0 H GLU A 443 -7.769 0.231 -3.365 1.00 0.54 H new ATOM 0 HA GLU A 443 -9.426 -0.849 -5.511 1.00 0.54 H new ATOM 0 HB2 GLU A 443 -10.007 0.040 -3.008 1.00 0.54 H new ATOM 0 HB3 GLU A 443 -10.130 1.565 -3.863 1.00 0.54 H new ATOM 0 HG2 GLU A 443 -11.703 -0.942 -4.609 1.00 0.54 H new ATOM 0 HG3 GLU A 443 -12.322 0.340 -3.588 1.00 0.54 H new ATOM 235 N GLU A 444 -8.088 2.159 -5.604 1.00 0.53 N ATOM 236 CA GLU A 444 -7.558 3.154 -6.516 1.00 0.53 C ATOM 237 C GLU A 444 -6.088 3.162 -6.328 1.00 0.53 C ATOM 238 O GLU A 444 -5.536 3.746 -5.415 1.00 0.53 O ATOM 239 CB GLU A 444 -8.225 4.552 -6.444 1.00 0.53 C ATOM 240 CG GLU A 444 -9.708 4.539 -6.857 1.00 0.53 C ATOM 241 CD GLU A 444 -9.861 4.202 -8.340 1.00 0.53 C ATOM 242 OE1 GLU A 444 -9.302 4.957 -9.181 1.00 0.53 O ATOM 243 OE2 GLU A 444 -10.545 3.190 -8.653 1.00 0.53 O ATOM 0 H GLU A 444 -7.898 2.358 -4.622 1.00 0.53 H new ATOM 0 HA GLU A 444 -7.808 2.872 -7.539 1.00 0.53 H new ATOM 0 HB2 GLU A 444 -8.141 4.935 -5.427 1.00 0.53 H new ATOM 0 HB3 GLU A 444 -7.681 5.241 -7.090 1.00 0.53 H new ATOM 0 HG2 GLU A 444 -10.250 3.808 -6.257 1.00 0.53 H new ATOM 0 HG3 GLU A 444 -10.154 5.512 -6.654 1.00 0.53 H new ATOM 250 N VAL A 445 -5.388 2.519 -7.281 1.00 0.50 N ATOM 251 CA VAL A 445 -3.950 2.367 -7.251 1.00 0.50 C ATOM 252 C VAL A 445 -3.490 3.346 -8.300 1.00 0.50 C ATOM 253 O VAL A 445 -3.841 3.280 -9.479 1.00 0.50 O ATOM 254 CB VAL A 445 -3.580 0.905 -7.472 1.00 0.50 C ATOM 255 CG1 VAL A 445 -3.860 0.210 -6.122 1.00 0.50 C ATOM 256 CG2 VAL A 445 -4.356 0.235 -8.637 1.00 0.50 C ATOM 0 H VAL A 445 -5.825 2.091 -8.097 1.00 0.50 H new ATOM 0 HA VAL A 445 -3.460 2.592 -6.304 1.00 0.50 H new ATOM 0 HB VAL A 445 -2.537 0.818 -7.775 1.00 0.50 H new ATOM 0 HG11 VAL A 445 -3.617 -0.850 -6.201 1.00 0.50 H new ATOM 0 HG12 VAL A 445 -3.247 0.666 -5.344 1.00 0.50 H new ATOM 0 HG13 VAL A 445 -4.914 0.323 -5.866 1.00 0.50 H new ATOM 0 HG21 VAL A 445 -4.040 -0.804 -8.735 1.00 0.50 H new ATOM 0 HG22 VAL A 445 -5.426 0.271 -8.430 1.00 0.50 H new ATOM 0 HG23 VAL A 445 -4.148 0.766 -9.566 1.00 0.50 H new ATOM 266 N ASP A 446 -2.733 4.364 -7.845 1.00 0.41 N ATOM 267 CA ASP A 446 -2.442 5.549 -8.605 1.00 0.41 C ATOM 268 C ASP A 446 -0.999 5.517 -9.007 1.00 0.41 C ATOM 269 O ASP A 446 -0.115 5.876 -8.227 1.00 0.41 O ATOM 270 CB ASP A 446 -2.836 6.751 -7.709 1.00 0.41 C ATOM 271 CG ASP A 446 -4.320 7.079 -7.925 1.00 0.41 C ATOM 272 OD1 ASP A 446 -4.658 7.580 -9.030 1.00 0.41 O ATOM 273 OD2 ASP A 446 -5.128 6.830 -6.991 1.00 0.41 O ATOM 0 H ASP A 446 -2.308 4.365 -6.918 1.00 0.41 H new ATOM 0 HA ASP A 446 -3.004 5.627 -9.536 1.00 0.41 H new ATOM 0 HB2 ASP A 446 -2.653 6.514 -6.661 1.00 0.41 H new ATOM 0 HB3 ASP A 446 -2.221 7.618 -7.952 1.00 0.41 H new ATOM 337 N PHE A 451 -0.034 7.148 -5.420 1.00 0.31 N ATOM 338 CA PHE A 451 -0.635 6.732 -4.154 1.00 0.31 C ATOM 339 C PHE A 451 -1.172 5.335 -4.239 1.00 0.31 C ATOM 340 O PHE A 451 -1.431 4.769 -5.300 1.00 0.31 O ATOM 341 CB PHE A 451 -1.725 7.654 -3.448 1.00 0.31 C ATOM 342 CG PHE A 451 -1.898 8.985 -4.106 1.00 0.31 C ATOM 343 CD1 PHE A 451 -2.761 9.090 -5.202 1.00 0.31 C ATOM 344 CD2 PHE A 451 -1.146 10.101 -3.711 1.00 0.31 C ATOM 345 CE1 PHE A 451 -2.760 10.245 -5.995 1.00 0.31 C ATOM 346 CE2 PHE A 451 -1.151 11.264 -4.488 1.00 0.31 C ATOM 347 CZ PHE A 451 -1.930 11.323 -5.649 1.00 0.31 C ATOM 0 HA PHE A 451 0.230 6.826 -3.497 1.00 0.31 H new ATOM 0 HB2 PHE A 451 -2.682 7.133 -3.444 1.00 0.31 H new ATOM 0 HB3 PHE A 451 -1.441 7.807 -2.407 1.00 0.31 H new ATOM 0 HD1 PHE A 451 -3.431 8.277 -5.438 1.00 0.31 H new ATOM 0 HD2 PHE A 451 -0.561 10.062 -2.804 1.00 0.31 H new ATOM 0 HE1 PHE A 451 -3.394 10.306 -6.867 1.00 0.31 H new ATOM 0 HE2 PHE A 451 -0.555 12.115 -4.193 1.00 0.31 H new ATOM 0 HZ PHE A 451 -1.893 12.199 -6.280 1.00 0.31 H new ATOM 357 N VAL A 452 -1.431 4.778 -3.032 1.00 0.26 N ATOM 358 CA VAL A 452 -2.174 3.562 -2.843 1.00 0.26 C ATOM 359 C VAL A 452 -3.410 4.046 -2.112 1.00 0.26 C ATOM 360 O VAL A 452 -3.370 4.328 -0.905 1.00 0.26 O ATOM 361 CB VAL A 452 -1.368 2.653 -1.907 1.00 0.26 C ATOM 362 CG1 VAL A 452 -2.081 1.350 -1.526 1.00 0.26 C ATOM 363 CG2 VAL A 452 -0.106 2.238 -2.656 1.00 0.26 C ATOM 0 H VAL A 452 -1.110 5.191 -2.157 1.00 0.26 H new ATOM 0 HA VAL A 452 -2.391 3.015 -3.761 1.00 0.26 H new ATOM 0 HB VAL A 452 -1.193 3.220 -0.993 1.00 0.26 H new ATOM 0 HG11 VAL A 452 -1.443 0.766 -0.863 1.00 0.26 H new ATOM 0 HG12 VAL A 452 -3.016 1.582 -1.017 1.00 0.26 H new ATOM 0 HG13 VAL A 452 -2.292 0.774 -2.427 1.00 0.26 H new ATOM 0 HG21 VAL A 452 0.497 1.588 -2.021 1.00 0.26 H new ATOM 0 HG22 VAL A 452 -0.382 1.703 -3.565 1.00 0.26 H new ATOM 0 HG23 VAL A 452 0.470 3.125 -2.918 1.00 0.26 H new ATOM 373 N ARG A 453 -4.582 4.081 -2.817 1.00 0.58 N ATOM 374 CA ARG A 453 -5.865 4.358 -2.146 1.00 0.58 C ATOM 375 C ARG A 453 -6.501 3.021 -1.746 1.00 0.58 C ATOM 376 O ARG A 453 -6.786 2.142 -2.583 1.00 0.58 O ATOM 377 CB ARG A 453 -6.844 5.222 -2.963 1.00 0.58 C ATOM 378 CG ARG A 453 -7.770 6.061 -2.063 1.00 0.58 C ATOM 379 CD ARG A 453 -9.136 6.370 -2.690 1.00 0.58 C ATOM 380 NE ARG A 453 -9.902 5.076 -2.775 1.00 0.58 N ATOM 381 CZ ARG A 453 -11.258 5.010 -2.953 1.00 0.58 C ATOM 382 NH1 ARG A 453 -12.002 6.141 -3.117 1.00 0.58 N ATOM 383 NH2 ARG A 453 -11.872 3.791 -2.954 1.00 0.58 N ATOM 0 H ARG A 453 -4.652 3.924 -3.822 1.00 0.58 H new ATOM 0 HA ARG A 453 -5.647 4.963 -1.266 1.00 0.58 H new ATOM 0 HB2 ARG A 453 -6.280 5.885 -3.619 1.00 0.58 H new ATOM 0 HB3 ARG A 453 -7.448 4.578 -3.602 1.00 0.58 H new ATOM 0 HG2 ARG A 453 -7.924 5.531 -1.123 1.00 0.58 H new ATOM 0 HG3 ARG A 453 -7.272 7.000 -1.821 1.00 0.58 H new ATOM 0 HD2 ARG A 453 -9.679 7.097 -2.086 1.00 0.58 H new ATOM 0 HD3 ARG A 453 -9.012 6.807 -3.681 1.00 0.58 H new ATOM 0 HE ARG A 453 -9.383 4.202 -2.696 1.00 0.58 H new ATOM 0 HH11 ARG A 453 -11.549 7.055 -3.108 1.00 0.58 H new ATOM 0 HH12 ARG A 453 -13.011 6.073 -3.248 1.00 0.58 H new ATOM 0 HH21 ARG A 453 -11.321 2.942 -2.823 1.00 0.58 H new ATOM 0 HH22 ARG A 453 -12.882 3.729 -3.086 1.00 0.58 H new ATOM 397 N LEU A 454 -6.656 2.817 -0.402 1.00 0.66 N ATOM 398 CA LEU A 454 -6.957 1.556 0.183 1.00 0.66 C ATOM 399 C LEU A 454 -8.335 1.629 0.792 1.00 0.66 C ATOM 400 O LEU A 454 -8.696 2.535 1.530 1.00 0.66 O ATOM 401 CB LEU A 454 -5.730 1.327 1.138 1.00 0.66 C ATOM 402 CG LEU A 454 -5.321 -0.121 1.495 1.00 0.66 C ATOM 403 CD1 LEU A 454 -5.705 -1.003 0.321 1.00 0.66 C ATOM 404 CD2 LEU A 454 -3.799 -0.270 1.716 1.00 0.66 C ATOM 0 H LEU A 454 -6.565 3.567 0.283 1.00 0.66 H new ATOM 0 HA LEU A 454 -7.043 0.691 -0.475 1.00 0.66 H new ATOM 0 HB2 LEU A 454 -4.865 1.812 0.685 1.00 0.66 H new ATOM 0 HB3 LEU A 454 -5.937 1.851 2.071 1.00 0.66 H new ATOM 0 HG LEU A 454 -5.824 -0.399 2.421 1.00 0.66 H new ATOM 0 HD11 LEU A 454 -5.431 -2.036 0.537 1.00 0.66 H new ATOM 0 HD12 LEU A 454 -6.780 -0.940 0.155 1.00 0.66 H new ATOM 0 HD13 LEU A 454 -5.180 -0.668 -0.573 1.00 0.66 H new ATOM 0 HD21 LEU A 454 -3.567 -1.306 1.964 1.00 0.66 H new ATOM 0 HD22 LEU A 454 -3.270 0.013 0.806 1.00 0.66 H new ATOM 0 HD23 LEU A 454 -3.485 0.378 2.534 1.00 0.66 H new ATOM 416 N ARG A 455 -9.205 0.661 0.459 1.00 0.51 N ATOM 417 CA ARG A 455 -10.564 0.634 0.913 1.00 0.51 C ATOM 418 C ARG A 455 -10.708 -0.715 1.506 1.00 0.51 C ATOM 419 O ARG A 455 -9.959 -1.640 1.193 1.00 0.51 O ATOM 420 CB ARG A 455 -11.555 0.840 -0.264 1.00 0.51 C ATOM 421 CG ARG A 455 -13.036 0.943 0.144 1.00 0.51 C ATOM 422 CD ARG A 455 -13.955 1.474 -0.965 1.00 0.51 C ATOM 423 NE ARG A 455 -15.343 1.659 -0.404 1.00 0.51 N ATOM 424 CZ ARG A 455 -16.246 0.642 -0.232 1.00 0.51 C ATOM 425 NH1 ARG A 455 -15.968 -0.629 -0.642 1.00 0.51 N ATOM 426 NH2 ARG A 455 -17.446 0.909 0.363 1.00 0.51 N ATOM 0 H ARG A 455 -8.959 -0.126 -0.142 1.00 0.51 H new ATOM 0 HA ARG A 455 -10.787 1.432 1.621 1.00 0.51 H new ATOM 0 HB2 ARG A 455 -11.277 1.748 -0.799 1.00 0.51 H new ATOM 0 HB3 ARG A 455 -11.443 0.011 -0.963 1.00 0.51 H new ATOM 0 HG2 ARG A 455 -13.387 -0.042 0.451 1.00 0.51 H new ATOM 0 HG3 ARG A 455 -13.118 1.596 1.013 1.00 0.51 H new ATOM 0 HD2 ARG A 455 -13.574 2.421 -1.349 1.00 0.51 H new ATOM 0 HD3 ARG A 455 -13.977 0.776 -1.802 1.00 0.51 H new ATOM 0 HE ARG A 455 -15.628 2.601 -0.136 1.00 0.51 H new ATOM 0 HH11 ARG A 455 -15.074 -0.837 -1.086 1.00 0.51 H new ATOM 0 HH12 ARG A 455 -16.654 -1.371 -0.504 1.00 0.51 H new ATOM 0 HH21 ARG A 455 -17.662 1.856 0.674 1.00 0.51 H new ATOM 0 HH22 ARG A 455 -18.127 0.161 0.497 1.00 0.51 H new ATOM 440 N ASN A 456 -11.698 -0.837 2.386 1.00 0.49 N ATOM 441 CA ASN A 456 -12.067 -2.056 3.049 1.00 0.49 C ATOM 442 C ASN A 456 -13.310 -2.576 2.312 1.00 0.49 C ATOM 443 O ASN A 456 -14.444 -2.254 2.645 1.00 0.49 O ATOM 444 CB ASN A 456 -12.265 -1.667 4.529 1.00 0.49 C ATOM 445 CG ASN A 456 -12.793 -2.741 5.465 1.00 0.49 C ATOM 446 OD1 ASN A 456 -13.953 -3.116 5.347 1.00 0.49 O ATOM 447 ND2 ASN A 456 -11.970 -3.252 6.406 1.00 0.49 N ATOM 0 H ASN A 456 -12.282 -0.047 2.659 1.00 0.49 H new ATOM 0 HA ASN A 456 -11.341 -2.869 3.030 1.00 0.49 H new ATOM 0 HB2 ASN A 456 -11.308 -1.321 4.918 1.00 0.49 H new ATOM 0 HB3 ASN A 456 -12.950 -0.820 4.567 1.00 0.49 H new ATOM 0 HD21 ASN A 456 -12.310 -3.972 7.044 1.00 0.49 H new ATOM 0 HD22 ASN A 456 -11.009 -2.918 6.478 1.00 0.49 H new ATOM 454 N LYS A 457 -13.112 -3.373 1.228 1.00 0.45 N ATOM 455 CA LYS A 457 -14.176 -3.838 0.327 1.00 0.45 C ATOM 456 C LYS A 457 -15.192 -4.851 0.861 1.00 0.45 C ATOM 457 O LYS A 457 -16.389 -4.604 0.739 1.00 0.45 O ATOM 458 CB LYS A 457 -13.538 -4.216 -1.041 1.00 0.45 C ATOM 459 CG LYS A 457 -14.463 -4.694 -2.176 1.00 0.45 C ATOM 460 CD LYS A 457 -14.567 -6.226 -2.337 1.00 0.45 C ATOM 461 CE LYS A 457 -13.273 -6.902 -2.818 1.00 0.45 C ATOM 462 NZ LYS A 457 -13.486 -8.351 -3.048 1.00 0.45 N ATOM 0 H LYS A 457 -12.188 -3.711 0.960 1.00 0.45 H new ATOM 0 HA LYS A 457 -14.853 -2.992 0.208 1.00 0.45 H new ATOM 0 HB2 LYS A 457 -12.991 -3.346 -1.403 1.00 0.45 H new ATOM 0 HB3 LYS A 457 -12.804 -5.001 -0.859 1.00 0.45 H new ATOM 0 HG2 LYS A 457 -15.462 -4.294 -2.002 1.00 0.45 H new ATOM 0 HG3 LYS A 457 -14.109 -4.269 -3.115 1.00 0.45 H new ATOM 0 HD2 LYS A 457 -14.856 -6.661 -1.380 1.00 0.45 H new ATOM 0 HD3 LYS A 457 -15.365 -6.452 -3.044 1.00 0.45 H new ATOM 0 HE2 LYS A 457 -12.932 -6.430 -3.739 1.00 0.45 H new ATOM 0 HE3 LYS A 457 -12.486 -6.759 -2.077 1.00 0.45 H new ATOM 0 HZ1 LYS A 457 -12.598 -8.785 -3.372 1.00 0.45 H new ATOM 0 HZ2 LYS A 457 -13.789 -8.802 -2.161 1.00 0.45 H new ATOM 0 HZ3 LYS A 457 -14.221 -8.483 -3.772 1.00 0.45 H new ATOM 476 N SER A 458 -14.781 -5.954 1.560 1.00 0.34 N ATOM 477 CA SER A 458 -15.774 -6.761 2.340 1.00 0.34 C ATOM 478 C SER A 458 -15.898 -6.171 3.745 1.00 0.34 C ATOM 479 O SER A 458 -15.117 -5.348 4.203 1.00 0.34 O ATOM 480 CB SER A 458 -15.599 -8.310 2.507 1.00 0.34 C ATOM 481 OG SER A 458 -16.858 -8.991 2.697 1.00 0.34 O ATOM 0 H SER A 458 -13.819 -6.292 1.601 1.00 0.34 H new ATOM 0 HA SER A 458 -16.653 -6.680 1.700 1.00 0.34 H new ATOM 0 HB2 SER A 458 -15.101 -8.713 1.625 1.00 0.34 H new ATOM 0 HB3 SER A 458 -14.949 -8.509 3.359 1.00 0.34 H new ATOM 0 HG SER A 458 -16.698 -9.953 2.794 1.00 0.34 H new ATOM 487 N ASN A 459 -16.959 -6.558 4.452 1.00 0.49 N ATOM 488 CA ASN A 459 -17.477 -5.932 5.634 1.00 0.49 C ATOM 489 C ASN A 459 -17.011 -6.424 6.995 1.00 0.49 C ATOM 490 O ASN A 459 -17.797 -6.659 7.914 1.00 0.49 O ATOM 491 CB ASN A 459 -18.997 -5.868 5.461 1.00 0.49 C ATOM 492 CG ASN A 459 -19.656 -7.226 5.297 1.00 0.49 C ATOM 493 OD1 ASN A 459 -19.900 -7.716 4.196 1.00 0.49 O ATOM 494 ND2 ASN A 459 -19.938 -7.832 6.473 1.00 0.49 N ATOM 0 H ASN A 459 -17.506 -7.375 4.182 1.00 0.49 H new ATOM 0 HA ASN A 459 -17.028 -4.940 5.692 1.00 0.49 H new ATOM 0 HB2 ASN A 459 -19.430 -5.367 6.327 1.00 0.49 H new ATOM 0 HB3 ASN A 459 -19.228 -5.255 4.589 1.00 0.49 H new ATOM 0 HD21 ASN A 459 -20.380 -8.751 6.480 1.00 0.49 H new ATOM 0 HD22 ASN A 459 -19.709 -7.370 7.353 1.00 0.49 H new ATOM 501 N GLU A 460 -15.685 -6.494 7.145 1.00 0.74 N ATOM 502 CA GLU A 460 -15.013 -6.778 8.392 1.00 0.74 C ATOM 503 C GLU A 460 -14.070 -5.631 8.709 1.00 0.74 C ATOM 504 O GLU A 460 -13.150 -5.314 7.954 1.00 0.74 O ATOM 505 CB GLU A 460 -14.290 -8.144 8.422 1.00 0.74 C ATOM 506 CG GLU A 460 -15.242 -9.335 8.194 1.00 0.74 C ATOM 507 CD GLU A 460 -14.512 -10.656 8.430 1.00 0.74 C ATOM 508 OE1 GLU A 460 -13.569 -10.964 7.654 1.00 0.74 O ATOM 509 OE2 GLU A 460 -14.892 -11.379 9.390 1.00 0.74 O ATOM 0 H GLU A 460 -15.039 -6.348 6.369 1.00 0.74 H new ATOM 0 HA GLU A 460 -15.775 -6.861 9.167 1.00 0.74 H new ATOM 0 HB2 GLU A 460 -13.514 -8.155 7.657 1.00 0.74 H new ATOM 0 HB3 GLU A 460 -13.791 -8.264 9.384 1.00 0.74 H new ATOM 0 HG2 GLU A 460 -16.096 -9.259 8.867 1.00 0.74 H new ATOM 0 HG3 GLU A 460 -15.634 -9.306 7.177 1.00 0.74 H new ATOM 516 N ASP A 461 -14.296 -4.996 9.894 1.00 0.65 N ATOM 517 CA ASP A 461 -13.525 -3.932 10.542 1.00 0.65 C ATOM 518 C ASP A 461 -12.162 -4.447 11.020 1.00 0.65 C ATOM 519 O ASP A 461 -12.054 -5.191 11.990 1.00 0.65 O ATOM 520 CB ASP A 461 -14.245 -3.290 11.778 1.00 0.65 C ATOM 521 CG ASP A 461 -15.690 -2.866 11.476 1.00 0.65 C ATOM 522 OD1 ASP A 461 -16.556 -3.764 11.301 1.00 0.65 O ATOM 523 OD2 ASP A 461 -15.953 -1.634 11.453 1.00 0.65 O ATOM 0 H ASP A 461 -15.104 -5.252 10.462 1.00 0.65 H new ATOM 0 HA ASP A 461 -13.412 -3.168 9.772 1.00 0.65 H new ATOM 0 HB2 ASP A 461 -14.246 -4.003 12.602 1.00 0.65 H new ATOM 0 HB3 ASP A 461 -13.679 -2.420 12.110 1.00 0.65 H new ATOM 528 N GLN A 462 -11.077 -4.072 10.307 1.00 0.44 N ATOM 529 CA GLN A 462 -9.705 -4.575 10.596 1.00 0.44 C ATOM 530 C GLN A 462 -8.742 -3.603 11.283 1.00 0.44 C ATOM 531 O GLN A 462 -8.635 -2.463 10.854 1.00 0.44 O ATOM 532 CB GLN A 462 -9.162 -5.647 9.580 1.00 0.44 C ATOM 533 CG GLN A 462 -8.597 -5.293 8.181 1.00 0.44 C ATOM 534 CD GLN A 462 -7.240 -4.590 8.254 1.00 0.44 C ATOM 535 OE1 GLN A 462 -6.121 -5.108 8.165 1.00 0.44 O ATOM 536 NE2 GLN A 462 -7.412 -3.264 8.470 1.00 0.44 N ATOM 0 H GLN A 462 -11.120 -3.420 9.523 1.00 0.44 H new ATOM 0 HA GLN A 462 -9.823 -5.222 11.465 1.00 0.44 H new ATOM 0 HB2 GLN A 462 -8.374 -6.191 10.100 1.00 0.44 H new ATOM 0 HB3 GLN A 462 -9.977 -6.351 9.412 1.00 0.44 H new ATOM 0 HG2 GLN A 462 -8.498 -6.205 7.592 1.00 0.44 H new ATOM 0 HG3 GLN A 462 -9.307 -4.651 7.659 1.00 0.44 H new ATOM 0 HE21 GLN A 462 -8.353 -2.876 8.537 1.00 0.44 H new ATOM 0 HE22 GLN A 462 -6.601 -2.653 8.566 1.00 0.44 H new ATOM 545 N SER A 463 -8.015 -3.988 12.379 1.00 0.49 N ATOM 546 CA SER A 463 -7.123 -3.109 13.149 1.00 0.49 C ATOM 547 C SER A 463 -5.860 -2.602 12.460 1.00 0.49 C ATOM 548 O SER A 463 -4.821 -3.256 12.533 1.00 0.49 O ATOM 549 CB SER A 463 -6.696 -3.724 14.502 1.00 0.49 C ATOM 550 OG SER A 463 -7.829 -4.161 15.251 1.00 0.49 O ATOM 0 H SER A 463 -8.045 -4.940 12.745 1.00 0.49 H new ATOM 0 HA SER A 463 -7.772 -2.243 13.280 1.00 0.49 H new ATOM 0 HB2 SER A 463 -6.026 -4.566 14.326 1.00 0.49 H new ATOM 0 HB3 SER A 463 -6.137 -2.987 15.079 1.00 0.49 H new ATOM 0 HG SER A 463 -7.530 -4.547 16.101 1.00 0.49 H new ATOM 556 N MET A 464 -5.884 -1.383 11.824 1.00 0.50 N ATOM 557 CA MET A 464 -4.688 -0.784 11.188 1.00 0.50 C ATOM 558 C MET A 464 -3.661 -0.164 12.116 1.00 0.50 C ATOM 559 O MET A 464 -2.649 0.373 11.686 1.00 0.50 O ATOM 560 CB MET A 464 -4.863 0.202 10.008 1.00 0.50 C ATOM 561 CG MET A 464 -6.071 -0.071 9.138 1.00 0.50 C ATOM 562 SD MET A 464 -6.260 1.071 7.739 1.00 0.50 S ATOM 563 CE MET A 464 -4.794 2.130 7.794 1.00 0.50 C ATOM 0 H MET A 464 -6.723 -0.808 11.746 1.00 0.50 H new ATOM 0 HA MET A 464 -4.330 -1.728 10.778 1.00 0.50 H new ATOM 0 HB2 MET A 464 -4.938 1.214 10.405 1.00 0.50 H new ATOM 0 HB3 MET A 464 -3.968 0.168 9.387 1.00 0.50 H new ATOM 0 HG2 MET A 464 -6.005 -1.089 8.754 1.00 0.50 H new ATOM 0 HG3 MET A 464 -6.968 -0.021 9.756 1.00 0.50 H new ATOM 0 HE1 MET A 464 -4.663 2.621 6.830 1.00 0.50 H new ATOM 0 HE2 MET A 464 -4.919 2.884 8.571 1.00 0.50 H new ATOM 0 HE3 MET A 464 -3.915 1.524 8.014 1.00 0.50 H new ATOM 573 N GLY A 465 -3.811 -0.331 13.444 1.00 0.39 N ATOM 574 CA GLY A 465 -2.715 -0.077 14.360 1.00 0.39 C ATOM 575 C GLY A 465 -1.701 -1.197 14.409 1.00 0.39 C ATOM 576 O GLY A 465 -0.593 -1.040 14.897 1.00 0.39 O ATOM 0 H GLY A 465 -4.676 -0.638 13.890 1.00 0.39 H new ATOM 0 HA2 GLY A 465 -2.213 0.845 14.067 1.00 0.39 H new ATOM 0 HA3 GLY A 465 -3.117 0.083 15.360 1.00 0.39 H new ATOM 580 N ASN A 466 -2.099 -2.378 13.895 1.00 0.33 N ATOM 581 CA ASN A 466 -1.345 -3.617 13.873 1.00 0.33 C ATOM 582 C ASN A 466 -0.755 -3.919 12.480 1.00 0.33 C ATOM 583 O ASN A 466 -0.360 -5.055 12.217 1.00 0.33 O ATOM 584 CB ASN A 466 -2.200 -4.762 14.506 1.00 0.33 C ATOM 585 CG ASN A 466 -2.431 -4.599 16.027 1.00 0.33 C ATOM 586 OD1 ASN A 466 -2.993 -3.446 16.455 1.00 0.33 O flip ATOM 587 ND2 ASN A 466 -2.160 -5.514 16.802 1.00 0.33 N flip ATOM 0 H ASN A 466 -3.016 -2.483 13.460 1.00 0.33 H new ATOM 0 HA ASN A 466 -0.458 -3.521 14.499 1.00 0.33 H new ATOM 0 HB2 ASN A 466 -3.166 -4.802 14.003 1.00 0.33 H new ATOM 0 HB3 ASN A 466 -1.706 -5.716 14.323 1.00 0.33 H new ATOM 0 HD21 ASN A 466 -1.736 -6.372 16.449 1.00 0.33 H new ATOM 0 HD22 ASN A 466 -2.359 -5.415 17.798 1.00 0.33 H new ATOM 594 N TRP A 467 -0.703 -2.908 11.546 1.00 0.32 N ATOM 595 CA TRP A 467 -0.190 -2.994 10.175 1.00 0.32 C ATOM 596 C TRP A 467 1.305 -2.801 10.028 1.00 0.32 C ATOM 597 O TRP A 467 2.022 -2.210 10.845 1.00 0.32 O ATOM 598 CB TRP A 467 -0.850 -1.878 9.295 1.00 0.32 C ATOM 599 CG TRP A 467 -2.221 -2.204 8.810 1.00 0.32 C ATOM 600 CD1 TRP A 467 -3.018 -3.212 9.253 1.00 0.32 C ATOM 601 CD2 TRP A 467 -2.902 -1.589 7.697 1.00 0.32 C ATOM 602 NE1 TRP A 467 -4.144 -3.291 8.501 1.00 0.32 N ATOM 603 CE2 TRP A 467 -4.092 -2.315 7.527 1.00 0.32 C ATOM 604 CE3 TRP A 467 -2.554 -0.550 6.814 1.00 0.32 C ATOM 605 CZ2 TRP A 467 -4.946 -2.027 6.485 1.00 0.32 C ATOM 606 CZ3 TRP A 467 -3.437 -0.219 5.767 1.00 0.32 C ATOM 607 CH2 TRP A 467 -4.601 -0.985 5.618 1.00 0.32 C ATOM 0 H TRP A 467 -1.042 -1.971 11.765 1.00 0.32 H new ATOM 0 HA TRP A 467 -0.434 -4.009 9.863 1.00 0.32 H new ATOM 0 HB2 TRP A 467 -0.893 -0.955 9.873 1.00 0.32 H new ATOM 0 HB3 TRP A 467 -0.210 -1.686 8.434 1.00 0.32 H new ATOM 0 HD1 TRP A 467 -2.787 -3.859 10.086 1.00 0.32 H new ATOM 0 HE1 TRP A 467 -4.902 -3.960 8.633 1.00 0.32 H new ATOM 0 HE3 TRP A 467 -1.624 -0.014 6.937 1.00 0.32 H new ATOM 0 HZ2 TRP A 467 -5.856 -2.590 6.342 1.00 0.32 H new ATOM 0 HZ3 TRP A 467 -3.223 0.602 5.098 1.00 0.32 H new ATOM 0 HH2 TRP A 467 -5.263 -0.760 4.795 1.00 0.32 H new ATOM 618 N GLN A 468 1.756 -3.257 8.839 1.00 0.53 N ATOM 619 CA GLN A 468 3.081 -2.982 8.312 1.00 0.53 C ATOM 620 C GLN A 468 2.791 -2.904 6.829 1.00 0.53 C ATOM 621 O GLN A 468 2.154 -3.788 6.260 1.00 0.53 O ATOM 622 CB GLN A 468 4.280 -3.957 8.626 1.00 0.53 C ATOM 623 CG GLN A 468 4.356 -4.520 10.073 1.00 0.53 C ATOM 624 CD GLN A 468 5.510 -5.506 10.349 1.00 0.53 C ATOM 625 OE1 GLN A 468 5.594 -6.108 11.424 1.00 0.53 O ATOM 626 NE2 GLN A 468 6.446 -5.668 9.376 1.00 0.53 N ATOM 0 H GLN A 468 1.188 -3.835 8.219 1.00 0.53 H new ATOM 0 HA GLN A 468 3.484 -2.096 8.802 1.00 0.53 H new ATOM 0 HB2 GLN A 468 4.225 -4.798 7.935 1.00 0.53 H new ATOM 0 HB3 GLN A 468 5.211 -3.431 8.415 1.00 0.53 H new ATOM 0 HG2 GLN A 468 4.446 -3.682 10.765 1.00 0.53 H new ATOM 0 HG3 GLN A 468 3.414 -5.020 10.298 1.00 0.53 H new ATOM 0 HE21 GLN A 468 6.359 -5.162 8.495 1.00 0.53 H new ATOM 0 HE22 GLN A 468 7.235 -6.296 9.527 1.00 0.53 H new ATOM 635 N ILE A 469 3.261 -1.837 6.156 1.00 0.85 N ATOM 636 CA ILE A 469 3.170 -1.579 4.721 1.00 0.85 C ATOM 637 C ILE A 469 4.582 -1.936 4.284 1.00 0.85 C ATOM 638 O ILE A 469 5.518 -1.492 4.935 1.00 0.85 O ATOM 639 CB ILE A 469 2.935 -0.082 4.527 1.00 0.85 C ATOM 640 CG1 ILE A 469 1.551 0.355 5.035 1.00 0.85 C ATOM 641 CG2 ILE A 469 3.150 0.373 3.074 1.00 0.85 C ATOM 642 CD1 ILE A 469 0.424 -0.141 4.152 1.00 0.85 C ATOM 0 H ILE A 469 3.747 -1.084 6.642 1.00 0.85 H new ATOM 0 HA ILE A 469 2.384 -2.113 4.188 1.00 0.85 H new ATOM 0 HB ILE A 469 3.691 0.416 5.135 1.00 0.85 H new ATOM 0 HG12 ILE A 469 1.405 -0.019 6.048 1.00 0.85 H new ATOM 0 HG13 ILE A 469 1.514 1.443 5.088 1.00 0.85 H new ATOM 0 HG21 ILE A 469 2.969 1.445 2.998 1.00 0.85 H new ATOM 0 HG22 ILE A 469 4.175 0.156 2.773 1.00 0.85 H new ATOM 0 HG23 ILE A 469 2.459 -0.159 2.420 1.00 0.85 H new ATOM 0 HD11 ILE A 469 -0.530 0.196 4.557 1.00 0.85 H new ATOM 0 HD12 ILE A 469 0.551 0.254 3.144 1.00 0.85 H new ATOM 0 HD13 ILE A 469 0.440 -1.230 4.119 1.00 0.85 H new ATOM 654 N LYS A 470 4.847 -2.742 3.246 1.00 1.07 N ATOM 655 CA LYS A 470 6.228 -3.125 2.955 1.00 1.07 C ATOM 656 C LYS A 470 6.406 -3.026 1.457 1.00 1.07 C ATOM 657 O LYS A 470 5.446 -3.200 0.700 1.00 1.07 O ATOM 658 CB LYS A 470 6.572 -4.514 3.532 1.00 1.07 C ATOM 659 CG LYS A 470 5.675 -5.689 3.149 1.00 1.07 C ATOM 660 CD LYS A 470 5.877 -6.888 4.089 1.00 1.07 C ATOM 661 CE LYS A 470 7.337 -7.230 4.427 1.00 1.07 C ATOM 662 NZ LYS A 470 7.410 -8.454 5.260 1.00 1.07 N ATOM 0 H LYS A 470 4.146 -3.129 2.614 1.00 1.07 H new ATOM 0 HA LYS A 470 6.935 -2.454 3.444 1.00 1.07 H new ATOM 0 HB2 LYS A 470 7.590 -4.759 3.230 1.00 1.07 H new ATOM 0 HB3 LYS A 470 6.572 -4.434 4.619 1.00 1.07 H new ATOM 0 HG2 LYS A 470 4.632 -5.375 3.179 1.00 1.07 H new ATOM 0 HG3 LYS A 470 5.888 -5.991 2.123 1.00 1.07 H new ATOM 0 HD2 LYS A 470 5.344 -6.691 5.019 1.00 1.07 H new ATOM 0 HD3 LYS A 470 5.413 -7.764 3.636 1.00 1.07 H new ATOM 0 HE2 LYS A 470 7.904 -7.376 3.507 1.00 1.07 H new ATOM 0 HE3 LYS A 470 7.798 -6.396 4.956 1.00 1.07 H new ATOM 0 HZ1 LYS A 470 8.404 -8.667 5.477 1.00 1.07 H new ATOM 0 HZ2 LYS A 470 6.887 -8.303 6.146 1.00 1.07 H new ATOM 0 HZ3 LYS A 470 6.990 -9.252 4.742 1.00 1.07 H new ATOM 676 N ARG A 471 7.637 -2.746 0.968 1.00 1.08 N ATOM 677 CA ARG A 471 7.908 -2.662 -0.455 1.00 1.08 C ATOM 678 C ARG A 471 9.221 -3.336 -0.753 1.00 1.08 C ATOM 679 O ARG A 471 10.206 -3.120 -0.043 1.00 1.08 O ATOM 680 CB ARG A 471 8.112 -1.209 -0.980 1.00 1.08 C ATOM 681 CG ARG A 471 6.897 -0.288 -0.847 1.00 1.08 C ATOM 682 CD ARG A 471 6.837 0.714 -2.013 1.00 1.08 C ATOM 683 NE ARG A 471 8.107 1.528 -2.067 1.00 1.08 N ATOM 684 CZ ARG A 471 8.153 2.886 -2.248 1.00 1.08 C ATOM 685 NH1 ARG A 471 7.017 3.643 -2.253 1.00 1.08 N ATOM 686 NH2 ARG A 471 9.363 3.492 -2.430 1.00 1.08 N ATOM 0 H ARG A 471 8.452 -2.576 1.557 1.00 1.08 H new ATOM 0 HA ARG A 471 7.039 -3.117 -0.930 1.00 1.08 H new ATOM 0 HB2 ARG A 471 8.948 -0.760 -0.443 1.00 1.08 H new ATOM 0 HB3 ARG A 471 8.397 -1.257 -2.031 1.00 1.08 H new ATOM 0 HG2 ARG A 471 5.984 -0.884 -0.827 1.00 1.08 H new ATOM 0 HG3 ARG A 471 6.946 0.251 0.099 1.00 1.08 H new ATOM 0 HD2 ARG A 471 6.698 0.181 -2.953 1.00 1.08 H new ATOM 0 HD3 ARG A 471 5.978 1.374 -1.891 1.00 1.08 H new ATOM 0 HE ARG A 471 8.993 1.033 -1.961 1.00 1.08 H new ATOM 0 HH11 ARG A 471 6.108 3.200 -2.120 1.00 1.08 H new ATOM 0 HH12 ARG A 471 7.077 4.652 -2.390 1.00 1.08 H new ATOM 0 HH21 ARG A 471 10.217 2.935 -2.430 1.00 1.08 H new ATOM 0 HH22 ARG A 471 9.412 4.502 -2.566 1.00 1.08 H new ATOM 700 N GLN A 472 9.275 -4.056 -1.910 1.00 0.85 N ATOM 701 CA GLN A 472 10.518 -4.518 -2.504 1.00 0.85 C ATOM 702 C GLN A 472 10.552 -3.729 -3.813 1.00 0.85 C ATOM 703 O GLN A 472 9.553 -3.651 -4.543 1.00 0.85 O ATOM 704 CB GLN A 472 10.609 -6.060 -2.731 1.00 0.85 C ATOM 705 CG GLN A 472 12.058 -6.613 -2.931 1.00 0.85 C ATOM 706 CD GLN A 472 12.568 -6.610 -4.379 1.00 0.85 C ATOM 707 OE1 GLN A 472 11.778 -6.407 -5.296 1.00 0.85 O ATOM 708 NE2 GLN A 472 13.888 -6.828 -4.589 1.00 0.85 N ATOM 0 H GLN A 472 8.445 -4.321 -2.440 1.00 0.85 H new ATOM 0 HA GLN A 472 11.373 -4.348 -1.850 1.00 0.85 H new ATOM 0 HB2 GLN A 472 10.158 -6.565 -1.877 1.00 0.85 H new ATOM 0 HB3 GLN A 472 10.013 -6.319 -3.606 1.00 0.85 H new ATOM 0 HG2 GLN A 472 12.742 -6.022 -2.321 1.00 0.85 H new ATOM 0 HG3 GLN A 472 12.095 -7.635 -2.553 1.00 0.85 H new ATOM 0 HE21 GLN A 472 14.510 -6.993 -3.798 1.00 0.85 H new ATOM 0 HE22 GLN A 472 14.260 -6.828 -5.539 1.00 0.85 H new ATOM 762 N PRO A 477 16.618 -1.362 -2.933 1.00 0.88 N ATOM 763 CA PRO A 477 16.540 -1.674 -1.499 1.00 0.88 C ATOM 764 C PRO A 477 15.190 -2.219 -0.991 1.00 0.88 C ATOM 765 O PRO A 477 14.128 -1.994 -1.581 1.00 0.88 O ATOM 766 CB PRO A 477 16.900 -0.329 -0.833 1.00 0.88 C ATOM 767 CG PRO A 477 16.373 0.733 -1.794 1.00 0.88 C ATOM 768 CD PRO A 477 16.593 0.085 -3.162 1.00 0.88 C ATOM 0 HA PRO A 477 17.207 -2.501 -1.256 1.00 0.88 H new ATOM 0 HB2 PRO A 477 16.438 -0.238 0.150 1.00 0.88 H new ATOM 0 HB3 PRO A 477 17.976 -0.234 -0.689 1.00 0.88 H new ATOM 0 HG2 PRO A 477 15.321 0.955 -1.615 1.00 0.88 H new ATOM 0 HG3 PRO A 477 16.918 1.672 -1.698 1.00 0.88 H new ATOM 0 HD2 PRO A 477 15.795 0.355 -3.853 1.00 0.88 H new ATOM 0 HD3 PRO A 477 17.528 0.424 -3.607 1.00 0.88 H new ATOM 776 N LEU A 478 15.278 -2.926 0.177 1.00 0.93 N ATOM 777 CA LEU A 478 14.213 -3.511 0.988 1.00 0.93 C ATOM 778 C LEU A 478 13.662 -2.583 2.088 1.00 0.93 C ATOM 779 O LEU A 478 14.244 -2.423 3.162 1.00 0.93 O ATOM 780 CB LEU A 478 14.618 -4.880 1.567 1.00 0.93 C ATOM 781 CG LEU A 478 13.538 -5.990 1.634 1.00 0.93 C ATOM 782 CD1 LEU A 478 12.099 -5.505 1.862 1.00 0.93 C ATOM 783 CD2 LEU A 478 13.632 -6.857 0.379 1.00 0.93 C ATOM 0 H LEU A 478 16.191 -3.106 0.596 1.00 0.93 H new ATOM 0 HA LEU A 478 13.387 -3.659 0.292 1.00 0.93 H new ATOM 0 HB2 LEU A 478 15.451 -5.260 0.975 1.00 0.93 H new ATOM 0 HB3 LEU A 478 14.993 -4.717 2.577 1.00 0.93 H new ATOM 0 HG LEU A 478 13.762 -6.571 2.529 1.00 0.93 H new ATOM 0 HD11 LEU A 478 11.427 -6.362 1.892 1.00 0.93 H new ATOM 0 HD12 LEU A 478 12.042 -4.966 2.808 1.00 0.93 H new ATOM 0 HD13 LEU A 478 11.805 -4.842 1.048 1.00 0.93 H new ATOM 0 HD21 LEU A 478 12.875 -7.640 0.420 1.00 0.93 H new ATOM 0 HD22 LEU A 478 13.467 -6.239 -0.503 1.00 0.93 H new ATOM 0 HD23 LEU A 478 14.621 -7.312 0.324 1.00 0.93 H new ATOM 795 N LEU A 479 12.485 -1.964 1.842 1.00 0.81 N ATOM 796 CA LEU A 479 11.802 -1.081 2.727 1.00 0.81 C ATOM 797 C LEU A 479 10.540 -1.664 3.344 1.00 0.81 C ATOM 798 O LEU A 479 9.870 -2.565 2.843 1.00 0.81 O ATOM 799 CB LEU A 479 11.469 0.032 1.759 1.00 0.81 C ATOM 800 CG LEU A 479 10.518 1.126 2.196 1.00 0.81 C ATOM 801 CD1 LEU A 479 11.022 1.918 3.398 1.00 0.81 C ATOM 802 CD2 LEU A 479 10.291 1.905 0.905 1.00 0.81 C ATOM 0 H LEU A 479 11.984 -2.095 0.963 1.00 0.81 H new ATOM 0 HA LEU A 479 12.387 -0.807 3.605 1.00 0.81 H new ATOM 0 HB2 LEU A 479 12.406 0.507 1.469 1.00 0.81 H new ATOM 0 HB3 LEU A 479 11.053 -0.426 0.862 1.00 0.81 H new ATOM 0 HG LEU A 479 9.572 0.767 2.602 1.00 0.81 H new ATOM 0 HD11 LEU A 479 10.294 2.686 3.659 1.00 0.81 H new ATOM 0 HD12 LEU A 479 11.160 1.246 4.245 1.00 0.81 H new ATOM 0 HD13 LEU A 479 11.973 2.390 3.150 1.00 0.81 H new ATOM 0 HD21 LEU A 479 9.610 2.734 1.095 1.00 0.81 H new ATOM 0 HD22 LEU A 479 11.243 2.293 0.542 1.00 0.81 H new ATOM 0 HD23 LEU A 479 9.858 1.245 0.153 1.00 0.81 H new ATOM 814 N THR A 480 10.149 -1.074 4.478 1.00 0.69 N ATOM 815 CA THR A 480 8.884 -1.287 5.136 1.00 0.69 C ATOM 816 C THR A 480 8.656 0.001 5.866 1.00 0.69 C ATOM 817 O THR A 480 9.607 0.637 6.320 1.00 0.69 O ATOM 818 CB THR A 480 8.855 -2.506 6.064 1.00 0.69 C ATOM 819 OG1 THR A 480 9.049 -3.712 5.341 1.00 0.69 O ATOM 820 CG2 THR A 480 7.606 -2.633 6.976 1.00 0.69 C ATOM 0 H THR A 480 10.742 -0.408 4.973 1.00 0.69 H new ATOM 0 HA THR A 480 8.094 -1.524 4.424 1.00 0.69 H new ATOM 0 HB THR A 480 9.690 -2.331 6.742 1.00 0.69 H new ATOM 0 HG1 THR A 480 9.232 -3.504 4.401 1.00 0.69 H new ATOM 0 HG21 THR A 480 7.693 -3.530 7.589 1.00 0.69 H new ATOM 0 HG22 THR A 480 7.537 -1.758 7.622 1.00 0.69 H new ATOM 0 HG23 THR A 480 6.710 -2.700 6.359 1.00 0.69 H new ATOM 828 N TYR A 481 7.366 0.356 6.043 1.00 0.73 N ATOM 829 CA TYR A 481 6.825 1.393 6.882 1.00 0.73 C ATOM 830 C TYR A 481 5.949 0.692 7.946 1.00 0.73 C ATOM 831 O TYR A 481 5.115 -0.154 7.608 1.00 0.73 O ATOM 832 CB TYR A 481 6.023 2.426 6.008 1.00 0.73 C ATOM 833 CG TYR A 481 5.109 3.424 6.716 1.00 0.73 C ATOM 834 CD1 TYR A 481 5.346 3.887 8.024 1.00 0.73 C ATOM 835 CD2 TYR A 481 3.966 3.898 6.047 1.00 0.73 C ATOM 836 CE1 TYR A 481 4.469 4.769 8.658 1.00 0.73 C ATOM 837 CE2 TYR A 481 3.077 4.779 6.681 1.00 0.73 C ATOM 838 CZ TYR A 481 3.326 5.203 7.996 1.00 0.73 C ATOM 839 OH TYR A 481 2.448 6.036 8.714 1.00 0.73 O ATOM 0 H TYR A 481 6.624 -0.136 5.545 1.00 0.73 H new ATOM 0 HA TYR A 481 7.604 1.968 7.383 1.00 0.73 H new ATOM 0 HB2 TYR A 481 6.744 2.995 5.422 1.00 0.73 H new ATOM 0 HB3 TYR A 481 5.414 1.861 5.302 1.00 0.73 H new ATOM 0 HD1 TYR A 481 6.228 3.552 8.550 1.00 0.73 H new ATOM 0 HD2 TYR A 481 3.770 3.580 5.034 1.00 0.73 H new ATOM 0 HE1 TYR A 481 4.678 5.113 9.660 1.00 0.73 H new ATOM 0 HE2 TYR A 481 2.201 5.131 6.157 1.00 0.73 H new ATOM 0 HH TYR A 481 2.956 6.562 9.366 1.00 0.73 H new ATOM 849 N ARG A 482 6.129 1.043 9.258 1.00 0.84 N ATOM 850 CA ARG A 482 5.406 0.507 10.414 1.00 0.84 C ATOM 851 C ARG A 482 4.274 1.435 10.896 1.00 0.84 C ATOM 852 O ARG A 482 4.408 2.658 10.957 1.00 0.84 O ATOM 853 CB ARG A 482 6.376 0.281 11.615 1.00 0.84 C ATOM 854 CG ARG A 482 7.565 -0.658 11.322 1.00 0.84 C ATOM 855 CD ARG A 482 7.142 -2.067 10.876 1.00 0.84 C ATOM 856 NE ARG A 482 8.367 -2.899 10.599 1.00 0.84 N ATOM 857 CZ ARG A 482 8.952 -3.739 11.511 1.00 0.84 C ATOM 858 NH1 ARG A 482 8.448 -3.875 12.772 1.00 0.84 N ATOM 859 NH2 ARG A 482 10.056 -4.455 11.147 1.00 0.84 N ATOM 0 H ARG A 482 6.820 1.742 9.530 1.00 0.84 H new ATOM 0 HA ARG A 482 4.971 -0.434 10.078 1.00 0.84 H new ATOM 0 HB2 ARG A 482 6.765 1.247 11.935 1.00 0.84 H new ATOM 0 HB3 ARG A 482 5.807 -0.127 12.451 1.00 0.84 H new ATOM 0 HG2 ARG A 482 8.187 -0.212 10.546 1.00 0.84 H new ATOM 0 HG3 ARG A 482 8.182 -0.739 12.217 1.00 0.84 H new ATOM 0 HD2 ARG A 482 6.538 -2.538 11.651 1.00 0.84 H new ATOM 0 HD3 ARG A 482 6.522 -2.005 9.982 1.00 0.84 H new ATOM 0 HE ARG A 482 8.789 -2.833 9.673 1.00 0.84 H new ATOM 0 HH11 ARG A 482 7.621 -3.346 13.051 1.00 0.84 H new ATOM 0 HH12 ARG A 482 8.898 -4.505 13.436 1.00 0.84 H new ATOM 0 HH21 ARG A 482 10.437 -4.362 10.205 1.00 0.84 H new ATOM 0 HH22 ARG A 482 10.500 -5.083 11.817 1.00 0.84 H new ATOM 873 N PHE A 483 3.116 0.838 11.279 1.00 0.68 N ATOM 874 CA PHE A 483 1.898 1.495 11.755 1.00 0.68 C ATOM 875 C PHE A 483 1.813 1.653 13.308 1.00 0.68 C ATOM 876 O PHE A 483 2.530 0.992 14.060 1.00 0.68 O ATOM 877 CB PHE A 483 0.654 0.859 11.061 1.00 0.68 C ATOM 878 CG PHE A 483 0.212 1.630 9.824 1.00 0.68 C ATOM 879 CD1 PHE A 483 1.033 1.736 8.682 1.00 0.68 C ATOM 880 CD2 PHE A 483 -1.036 2.280 9.801 1.00 0.68 C ATOM 881 CE1 PHE A 483 0.652 2.557 7.607 1.00 0.68 C ATOM 882 CE2 PHE A 483 -1.426 3.075 8.725 1.00 0.68 C ATOM 883 CZ PHE A 483 -0.572 3.235 7.635 1.00 0.68 C ATOM 0 H PHE A 483 3.015 -0.177 11.258 1.00 0.68 H new ATOM 0 HA PHE A 483 1.925 2.540 11.446 1.00 0.68 H new ATOM 0 HB2 PHE A 483 0.886 -0.168 10.780 1.00 0.68 H new ATOM 0 HB3 PHE A 483 -0.171 0.817 11.772 1.00 0.68 H new ATOM 0 HD1 PHE A 483 1.960 1.183 8.633 1.00 0.68 H new ATOM 0 HD2 PHE A 483 -1.708 2.160 10.638 1.00 0.68 H new ATOM 0 HE1 PHE A 483 1.307 2.665 6.755 1.00 0.68 H new ATOM 0 HE2 PHE A 483 -2.388 3.566 8.736 1.00 0.68 H new ATOM 0 HZ PHE A 483 -0.854 3.880 6.815 1.00 0.68 H new ATOM 893 N PRO A 484 0.950 2.567 13.832 1.00 0.53 N ATOM 894 CA PRO A 484 0.852 2.969 15.246 1.00 0.53 C ATOM 895 C PRO A 484 -0.184 2.136 16.039 1.00 0.53 C ATOM 896 O PRO A 484 -1.322 2.160 15.589 1.00 0.53 O ATOM 897 CB PRO A 484 0.350 4.424 15.079 1.00 0.53 C ATOM 898 CG PRO A 484 -0.560 4.423 13.830 1.00 0.53 C ATOM 899 CD PRO A 484 -0.089 3.202 13.030 1.00 0.53 C ATOM 0 HA PRO A 484 1.780 2.840 15.802 1.00 0.53 H new ATOM 0 HB2 PRO A 484 -0.200 4.750 15.962 1.00 0.53 H new ATOM 0 HB3 PRO A 484 1.186 5.112 14.952 1.00 0.53 H new ATOM 0 HG2 PRO A 484 -1.612 4.340 14.103 1.00 0.53 H new ATOM 0 HG3 PRO A 484 -0.451 5.343 13.256 1.00 0.53 H new ATOM 0 HD2 PRO A 484 -0.915 2.514 12.847 1.00 0.53 H new ATOM 0 HD3 PRO A 484 0.299 3.501 12.056 1.00 0.53 H new ATOM 907 N PRO A 485 -0.019 1.501 17.220 1.00 0.68 N ATOM 908 CA PRO A 485 -0.956 0.501 17.808 1.00 0.68 C ATOM 909 C PRO A 485 -2.404 0.910 18.223 1.00 0.68 C ATOM 910 O PRO A 485 -3.007 0.188 19.014 1.00 0.68 O ATOM 911 CB PRO A 485 -0.150 -0.026 19.022 1.00 0.68 C ATOM 912 CG PRO A 485 0.840 1.080 19.368 1.00 0.68 C ATOM 913 CD PRO A 485 1.214 1.619 17.993 1.00 0.68 C ATOM 0 HA PRO A 485 -1.220 -0.208 17.024 1.00 0.68 H new ATOM 0 HB2 PRO A 485 -0.807 -0.242 19.865 1.00 0.68 H new ATOM 0 HB3 PRO A 485 0.368 -0.953 18.776 1.00 0.68 H new ATOM 0 HG2 PRO A 485 0.389 1.847 19.997 1.00 0.68 H new ATOM 0 HG3 PRO A 485 1.708 0.696 19.905 1.00 0.68 H new ATOM 0 HD2 PRO A 485 1.553 2.654 18.048 1.00 0.68 H new ATOM 0 HD3 PRO A 485 2.023 1.042 17.545 1.00 0.68 H new ATOM 921 N LYS A 486 -2.993 2.035 17.724 1.00 0.85 N ATOM 922 CA LYS A 486 -4.272 2.595 18.177 1.00 0.85 C ATOM 923 C LYS A 486 -5.501 2.537 17.301 1.00 0.85 C ATOM 924 O LYS A 486 -6.626 2.525 17.781 1.00 0.85 O ATOM 925 CB LYS A 486 -4.070 4.061 18.660 1.00 0.85 C ATOM 926 CG LYS A 486 -2.836 4.232 19.561 1.00 0.85 C ATOM 927 CD LYS A 486 -2.668 5.661 20.097 1.00 0.85 C ATOM 928 CE LYS A 486 -1.427 5.838 20.986 1.00 0.85 C ATOM 929 NZ LYS A 486 -0.177 5.568 20.235 1.00 0.85 N ATOM 0 H LYS A 486 -2.568 2.582 16.975 1.00 0.85 H new ATOM 0 HA LYS A 486 -4.527 1.885 18.964 1.00 0.85 H new ATOM 0 HB2 LYS A 486 -3.973 4.713 17.792 1.00 0.85 H new ATOM 0 HB3 LYS A 486 -4.958 4.384 19.204 1.00 0.85 H new ATOM 0 HG2 LYS A 486 -2.911 3.543 20.402 1.00 0.85 H new ATOM 0 HG3 LYS A 486 -1.944 3.955 19.000 1.00 0.85 H new ATOM 0 HD2 LYS A 486 -2.605 6.351 19.256 1.00 0.85 H new ATOM 0 HD3 LYS A 486 -3.556 5.934 20.667 1.00 0.85 H new ATOM 0 HE2 LYS A 486 -1.403 6.854 21.381 1.00 0.85 H new ATOM 0 HE3 LYS A 486 -1.492 5.165 21.841 1.00 0.85 H new ATOM 0 HZ1 LYS A 486 0.643 5.826 20.821 1.00 0.85 H new ATOM 0 HZ2 LYS A 486 -0.127 4.557 19.996 1.00 0.85 H new ATOM 0 HZ3 LYS A 486 -0.169 6.131 19.361 1.00 0.85 H new ATOM 943 N PHE A 487 -5.314 2.551 15.989 1.00 0.81 N ATOM 944 CA PHE A 487 -6.368 2.640 14.956 1.00 0.81 C ATOM 945 C PHE A 487 -7.022 1.300 14.488 1.00 0.81 C ATOM 946 O PHE A 487 -6.469 0.207 14.612 1.00 0.81 O ATOM 947 CB PHE A 487 -5.805 3.532 13.784 1.00 0.81 C ATOM 948 CG PHE A 487 -6.732 3.788 12.613 1.00 0.81 C ATOM 949 CD1 PHE A 487 -7.666 4.835 12.568 1.00 0.81 C ATOM 950 CD2 PHE A 487 -6.716 2.859 11.569 1.00 0.81 C ATOM 951 CE1 PHE A 487 -8.555 4.940 11.486 1.00 0.81 C ATOM 952 CE2 PHE A 487 -7.611 2.932 10.501 1.00 0.81 C ATOM 953 CZ PHE A 487 -8.526 3.991 10.453 1.00 0.81 C ATOM 0 H PHE A 487 -4.380 2.498 15.583 1.00 0.81 H new ATOM 0 HA PHE A 487 -7.238 3.110 15.415 1.00 0.81 H new ATOM 0 HB2 PHE A 487 -5.511 4.495 14.201 1.00 0.81 H new ATOM 0 HB3 PHE A 487 -4.899 3.060 13.403 1.00 0.81 H new ATOM 0 HD1 PHE A 487 -7.701 5.561 13.367 1.00 0.81 H new ATOM 0 HD2 PHE A 487 -5.989 2.061 11.589 1.00 0.81 H new ATOM 0 HE1 PHE A 487 -9.264 5.754 11.449 1.00 0.81 H new ATOM 0 HE2 PHE A 487 -7.598 2.183 9.723 1.00 0.81 H new ATOM 0 HZ PHE A 487 -9.209 4.077 9.621 1.00 0.81 H new ATOM 963 N THR A 488 -8.243 1.407 13.876 1.00 0.82 N ATOM 964 CA THR A 488 -9.048 0.357 13.217 1.00 0.82 C ATOM 965 C THR A 488 -9.773 0.918 11.998 1.00 0.82 C ATOM 966 O THR A 488 -10.401 1.967 12.079 1.00 0.82 O ATOM 967 CB THR A 488 -10.068 -0.352 14.136 1.00 0.82 C ATOM 968 OG1 THR A 488 -9.357 -1.131 15.103 1.00 0.82 O ATOM 969 CG2 THR A 488 -11.058 -1.294 13.385 1.00 0.82 C ATOM 0 H THR A 488 -8.718 2.309 13.834 1.00 0.82 H new ATOM 0 HA THR A 488 -8.324 -0.402 12.921 1.00 0.82 H new ATOM 0 HB THR A 488 -10.665 0.437 14.594 1.00 0.82 H new ATOM 0 HG1 THR A 488 -8.403 -0.910 15.064 1.00 0.82 H new ATOM 0 HG21 THR A 488 -11.739 -1.752 14.102 1.00 0.82 H new ATOM 0 HG22 THR A 488 -11.630 -0.716 12.659 1.00 0.82 H new ATOM 0 HG23 THR A 488 -10.498 -2.073 12.868 1.00 0.82 H new ATOM 977 N LEU A 489 -9.732 0.168 10.842 1.00 0.93 N ATOM 978 CA LEU A 489 -10.414 0.353 9.558 1.00 0.93 C ATOM 979 C LEU A 489 -11.767 -0.266 9.699 1.00 0.93 C ATOM 980 O LEU A 489 -11.960 -1.295 10.336 1.00 0.93 O ATOM 981 CB LEU A 489 -9.694 -0.470 8.411 1.00 0.93 C ATOM 982 CG LEU A 489 -9.883 -0.249 6.890 1.00 0.93 C ATOM 983 CD1 LEU A 489 -9.413 1.076 6.286 1.00 0.93 C ATOM 984 CD2 LEU A 489 -9.090 -1.372 6.179 1.00 0.93 C ATOM 0 H LEU A 489 -9.148 -0.668 10.811 1.00 0.93 H new ATOM 0 HA LEU A 489 -10.428 1.415 9.311 1.00 0.93 H new ATOM 0 HB2 LEU A 489 -8.625 -0.363 8.596 1.00 0.93 H new ATOM 0 HB3 LEU A 489 -9.946 -1.515 8.593 1.00 0.93 H new ATOM 0 HG LEU A 489 -10.963 -0.246 6.743 1.00 0.93 H new ATOM 0 HD11 LEU A 489 -9.613 1.079 5.215 1.00 0.93 H new ATOM 0 HD12 LEU A 489 -9.948 1.901 6.757 1.00 0.93 H new ATOM 0 HD13 LEU A 489 -8.343 1.194 6.455 1.00 0.93 H new ATOM 0 HD21 LEU A 489 -9.191 -1.261 5.099 1.00 0.93 H new ATOM 0 HD22 LEU A 489 -8.037 -1.304 6.454 1.00 0.93 H new ATOM 0 HD23 LEU A 489 -9.482 -2.343 6.482 1.00 0.93 H new ATOM 996 N LYS A 490 -12.726 0.382 9.072 1.00 0.79 N ATOM 997 CA LYS A 490 -14.104 0.063 9.083 1.00 0.79 C ATOM 998 C LYS A 490 -14.498 -0.776 7.892 1.00 0.79 C ATOM 999 O LYS A 490 -14.127 -0.417 6.780 1.00 0.79 O ATOM 1000 CB LYS A 490 -14.829 1.437 8.912 1.00 0.79 C ATOM 1001 CG LYS A 490 -14.283 2.491 9.911 1.00 0.79 C ATOM 1002 CD LYS A 490 -14.609 2.191 11.386 1.00 0.79 C ATOM 1003 CE LYS A 490 -16.110 2.183 11.711 1.00 0.79 C ATOM 1004 NZ LYS A 490 -16.336 1.940 13.156 1.00 0.79 N ATOM 0 H LYS A 490 -12.528 1.205 8.503 1.00 0.79 H new ATOM 0 HA LYS A 490 -14.354 -0.487 9.991 1.00 0.79 H new ATOM 0 HB2 LYS A 490 -14.695 1.797 7.892 1.00 0.79 H new ATOM 0 HB3 LYS A 490 -15.900 1.307 9.067 1.00 0.79 H new ATOM 0 HG2 LYS A 490 -13.201 2.558 9.796 1.00 0.79 H new ATOM 0 HG3 LYS A 490 -14.692 3.467 9.651 1.00 0.79 H new ATOM 0 HD2 LYS A 490 -14.187 1.221 11.650 1.00 0.79 H new ATOM 0 HD3 LYS A 490 -14.117 2.934 12.013 1.00 0.79 H new ATOM 0 HE2 LYS A 490 -16.553 3.137 11.425 1.00 0.79 H new ATOM 0 HE3 LYS A 490 -16.609 1.411 11.126 1.00 0.79 H new ATOM 0 HZ1 LYS A 490 -17.357 1.939 13.352 1.00 0.79 H new ATOM 0 HZ2 LYS A 490 -15.932 1.019 13.421 1.00 0.79 H new ATOM 0 HZ3 LYS A 490 -15.878 2.691 13.710 1.00 0.79 H new ATOM 1018 N ALA A 491 -15.348 -1.819 8.107 1.00 0.40 N ATOM 1019 CA ALA A 491 -16.242 -2.529 7.154 1.00 0.40 C ATOM 1020 C ALA A 491 -16.882 -1.619 6.071 1.00 0.40 C ATOM 1021 O ALA A 491 -17.924 -1.004 6.274 1.00 0.40 O ATOM 1022 CB ALA A 491 -17.417 -3.166 7.925 1.00 0.40 C ATOM 0 H ALA A 491 -15.431 -2.220 9.041 1.00 0.40 H new ATOM 0 HA ALA A 491 -15.601 -3.258 6.658 1.00 0.40 H new ATOM 0 HB1 ALA A 491 -18.072 -3.686 7.226 1.00 0.40 H new ATOM 0 HB2 ALA A 491 -17.030 -3.876 8.656 1.00 0.40 H new ATOM 0 HB3 ALA A 491 -17.980 -2.387 8.438 1.00 0.40 H new ATOM 1028 N GLY A 492 -16.124 -1.389 4.978 1.00 0.27 N ATOM 1029 CA GLY A 492 -16.333 -0.296 4.023 1.00 0.27 C ATOM 1030 C GLY A 492 -16.119 1.179 4.312 1.00 0.27 C ATOM 1031 O GLY A 492 -16.864 1.996 3.775 1.00 0.27 O ATOM 0 H GLY A 492 -15.329 -1.979 4.735 1.00 0.27 H new ATOM 0 HA2 GLY A 492 -15.700 -0.526 3.166 1.00 0.27 H new ATOM 0 HA3 GLY A 492 -17.367 -0.386 3.690 1.00 0.27 H new ATOM 1035 N GLN A 493 -15.020 1.606 5.033 1.00 0.35 N ATOM 1036 CA GLN A 493 -14.601 3.024 4.962 1.00 0.35 C ATOM 1037 C GLN A 493 -13.413 3.090 3.955 1.00 0.35 C ATOM 1038 O GLN A 493 -12.918 2.039 3.516 1.00 0.35 O ATOM 1039 CB GLN A 493 -14.455 3.901 6.261 1.00 0.35 C ATOM 1040 CG GLN A 493 -13.077 4.283 6.870 1.00 0.35 C ATOM 1041 CD GLN A 493 -12.158 3.134 7.253 1.00 0.35 C ATOM 1042 OE1 GLN A 493 -12.175 2.049 6.441 1.00 0.35 O flip ATOM 1043 NE2 GLN A 493 -11.461 3.177 8.268 1.00 0.35 N flip ATOM 0 H GLN A 493 -14.448 1.012 5.633 1.00 0.35 H new ATOM 0 HA GLN A 493 -15.476 3.573 4.614 1.00 0.35 H new ATOM 0 HB2 GLN A 493 -14.977 4.837 6.063 1.00 0.35 H new ATOM 0 HB3 GLN A 493 -15.009 3.387 7.046 1.00 0.35 H new ATOM 0 HG2 GLN A 493 -12.552 4.915 6.154 1.00 0.35 H new ATOM 0 HG3 GLN A 493 -13.254 4.888 7.759 1.00 0.35 H new ATOM 0 HE21 GLN A 493 -11.471 4.009 8.858 1.00 0.35 H new ATOM 0 HE22 GLN A 493 -10.874 2.381 8.518 1.00 0.35 H new ATOM 1052 N VAL A 494 -12.829 4.287 3.688 1.00 0.36 N ATOM 1053 CA VAL A 494 -11.611 4.461 2.893 1.00 0.36 C ATOM 1054 C VAL A 494 -10.457 5.016 3.740 1.00 0.36 C ATOM 1055 O VAL A 494 -10.662 5.794 4.671 1.00 0.36 O ATOM 1056 CB VAL A 494 -11.881 5.424 1.709 1.00 0.36 C ATOM 1057 CG1 VAL A 494 -10.631 5.808 0.870 1.00 0.36 C ATOM 1058 CG2 VAL A 494 -12.942 4.797 0.783 1.00 0.36 C ATOM 0 H VAL A 494 -13.209 5.169 4.032 1.00 0.36 H new ATOM 0 HA VAL A 494 -11.322 3.479 2.518 1.00 0.36 H new ATOM 0 HB VAL A 494 -12.227 6.355 2.158 1.00 0.36 H new ATOM 0 HG11 VAL A 494 -10.925 6.484 0.067 1.00 0.36 H new ATOM 0 HG12 VAL A 494 -9.900 6.302 1.511 1.00 0.36 H new ATOM 0 HG13 VAL A 494 -10.189 4.908 0.443 1.00 0.36 H new ATOM 0 HG21 VAL A 494 -13.138 5.468 -0.053 1.00 0.36 H new ATOM 0 HG22 VAL A 494 -12.576 3.843 0.404 1.00 0.36 H new ATOM 0 HG23 VAL A 494 -13.864 4.636 1.342 1.00 0.36 H new ATOM 1068 N VAL A 495 -9.189 4.670 3.354 1.00 0.55 N ATOM 1069 CA VAL A 495 -7.908 5.165 3.851 1.00 0.55 C ATOM 1070 C VAL A 495 -6.921 5.337 2.701 1.00 0.55 C ATOM 1071 O VAL A 495 -7.113 4.830 1.600 1.00 0.55 O ATOM 1072 CB VAL A 495 -7.391 4.338 5.031 1.00 0.55 C ATOM 1073 CG1 VAL A 495 -6.924 2.950 4.550 1.00 0.55 C ATOM 1074 CG2 VAL A 495 -6.321 5.085 5.857 1.00 0.55 C ATOM 0 H VAL A 495 -9.050 3.974 2.621 1.00 0.55 H new ATOM 0 HA VAL A 495 -8.048 6.161 4.271 1.00 0.55 H new ATOM 0 HB VAL A 495 -8.220 4.183 5.721 1.00 0.55 H new ATOM 0 HG11 VAL A 495 -6.559 2.374 5.400 1.00 0.55 H new ATOM 0 HG12 VAL A 495 -7.760 2.425 4.088 1.00 0.55 H new ATOM 0 HG13 VAL A 495 -6.122 3.068 3.821 1.00 0.55 H new ATOM 0 HG21 VAL A 495 -5.990 4.452 6.681 1.00 0.55 H new ATOM 0 HG22 VAL A 495 -5.470 5.325 5.219 1.00 0.55 H new ATOM 0 HG23 VAL A 495 -6.746 6.006 6.255 1.00 0.55 H new ATOM 1084 N THR A 496 -5.840 6.137 2.892 1.00 0.72 N ATOM 1085 CA THR A 496 -4.872 6.450 1.860 1.00 0.72 C ATOM 1086 C THR A 496 -3.503 6.390 2.474 1.00 0.72 C ATOM 1087 O THR A 496 -3.163 7.146 3.384 1.00 0.72 O ATOM 1088 CB THR A 496 -5.088 7.859 1.281 1.00 0.72 C ATOM 1089 OG1 THR A 496 -6.388 7.943 0.710 1.00 0.72 O ATOM 1090 CG2 THR A 496 -4.058 8.227 0.192 1.00 0.72 C ATOM 0 H THR A 496 -5.632 6.579 3.788 1.00 0.72 H new ATOM 0 HA THR A 496 -4.985 5.731 1.049 1.00 0.72 H new ATOM 0 HB THR A 496 -4.968 8.559 2.108 1.00 0.72 H new ATOM 0 HG1 THR A 496 -6.527 8.841 0.343 1.00 0.72 H new ATOM 0 HG21 THR A 496 -4.262 9.232 -0.177 1.00 0.72 H new ATOM 0 HG22 THR A 496 -3.054 8.193 0.615 1.00 0.72 H new ATOM 0 HG23 THR A 496 -4.129 7.516 -0.631 1.00 0.72 H new ATOM 1098 N ILE A 497 -2.633 5.483 1.986 1.00 0.70 N ATOM 1099 CA ILE A 497 -1.250 5.420 2.417 1.00 0.70 C ATOM 1100 C ILE A 497 -0.395 5.733 1.215 1.00 0.70 C ATOM 1101 O ILE A 497 -0.725 5.268 0.126 1.00 0.70 O ATOM 1102 CB ILE A 497 -0.963 4.052 3.021 1.00 0.70 C ATOM 1103 CG1 ILE A 497 -1.972 3.877 4.174 1.00 0.70 C ATOM 1104 CG2 ILE A 497 0.438 4.018 3.658 1.00 0.70 C ATOM 1105 CD1 ILE A 497 -3.245 3.086 3.867 1.00 0.70 C ATOM 0 H ILE A 497 -2.882 4.784 1.286 1.00 0.70 H new ATOM 0 HA ILE A 497 -1.028 6.146 3.199 1.00 0.70 H new ATOM 0 HB ILE A 497 -1.031 3.284 2.251 1.00 0.70 H new ATOM 0 HG12 ILE A 497 -1.459 3.387 5.002 1.00 0.70 H new ATOM 0 HG13 ILE A 497 -2.264 4.868 4.522 1.00 0.70 H new ATOM 0 HG21 ILE A 497 0.621 3.031 4.083 1.00 0.70 H new ATOM 0 HG22 ILE A 497 1.189 4.230 2.897 1.00 0.70 H new ATOM 0 HG23 ILE A 497 0.498 4.769 4.446 1.00 0.70 H new ATOM 0 HD11 ILE A 497 -3.867 3.037 4.761 1.00 0.70 H new ATOM 0 HD12 ILE A 497 -3.797 3.580 3.067 1.00 0.70 H new ATOM 0 HD13 ILE A 497 -2.979 2.076 3.554 1.00 0.70 H new ATOM 1117 N TRP A 498 0.734 6.486 1.414 1.00 0.58 N ATOM 1118 CA TRP A 498 1.801 6.763 0.412 1.00 0.58 C ATOM 1119 C TRP A 498 3.122 7.493 0.713 1.00 0.58 C ATOM 1120 O TRP A 498 3.580 7.520 1.852 1.00 0.58 O ATOM 1121 CB TRP A 498 1.429 6.746 -1.103 1.00 0.58 C ATOM 1122 CG TRP A 498 2.018 5.544 -1.865 1.00 0.58 C ATOM 1123 CD1 TRP A 498 2.477 5.555 -3.143 1.00 0.58 C ATOM 1124 CD2 TRP A 498 2.328 4.217 -1.361 1.00 0.58 C ATOM 1125 NE1 TRP A 498 3.000 4.347 -3.487 1.00 0.58 N ATOM 1126 CE2 TRP A 498 3.022 3.546 -2.386 1.00 0.58 C ATOM 1127 CE3 TRP A 498 2.091 3.571 -0.147 1.00 0.58 C ATOM 1128 CZ2 TRP A 498 3.561 2.285 -2.187 1.00 0.58 C ATOM 1129 CZ3 TRP A 498 2.678 2.336 0.076 1.00 0.58 C ATOM 1130 CH2 TRP A 498 3.442 1.727 -0.907 1.00 0.58 C ATOM 0 H TRP A 498 0.926 6.930 2.312 1.00 0.58 H new ATOM 0 HA TRP A 498 2.138 5.791 0.772 1.00 0.58 H new ATOM 0 HB2 TRP A 498 0.344 6.733 -1.203 1.00 0.58 H new ATOM 0 HB3 TRP A 498 1.781 7.668 -1.566 1.00 0.58 H new ATOM 0 HD1 TRP A 498 2.433 6.411 -3.800 1.00 0.58 H new ATOM 0 HE1 TRP A 498 3.323 4.084 -4.418 1.00 0.58 H new ATOM 0 HE3 TRP A 498 1.462 4.025 0.604 1.00 0.58 H new ATOM 0 HZ2 TRP A 498 4.054 1.753 -2.987 1.00 0.58 H new ATOM 0 HZ3 TRP A 498 2.539 1.842 1.026 1.00 0.58 H new ATOM 0 HH2 TRP A 498 3.956 0.804 -0.682 1.00 0.58 H new ATOM 1141 N ALA A 499 3.848 7.985 -0.344 1.00 0.33 N ATOM 1142 CA ALA A 499 5.222 8.469 -0.303 1.00 0.33 C ATOM 1143 C ALA A 499 5.417 9.981 -0.257 1.00 0.33 C ATOM 1144 O ALA A 499 4.854 10.699 -1.075 1.00 0.33 O ATOM 1145 CB ALA A 499 5.972 7.800 -1.470 1.00 0.33 C ATOM 0 H ALA A 499 3.448 8.047 -1.280 1.00 0.33 H new ATOM 0 HA ALA A 499 5.641 8.182 0.662 1.00 0.33 H new ATOM 0 HB1 ALA A 499 7.009 8.136 -1.476 1.00 0.33 H new ATOM 0 HB2 ALA A 499 5.942 6.717 -1.349 1.00 0.33 H new ATOM 0 HB3 ALA A 499 5.496 8.073 -2.412 1.00 0.33 H new ATOM 1151 N ALA A 500 6.225 10.515 0.718 1.00 0.18 N ATOM 1152 CA ALA A 500 6.490 11.926 1.089 1.00 0.18 C ATOM 1153 C ALA A 500 6.465 13.071 0.065 1.00 0.18 C ATOM 1154 O ALA A 500 6.149 14.195 0.441 1.00 0.18 O ATOM 1155 CB ALA A 500 7.843 12.051 1.838 1.00 0.18 C ATOM 0 H ALA A 500 6.758 9.889 1.321 1.00 0.18 H new ATOM 0 HA ALA A 500 5.583 12.094 1.670 1.00 0.18 H new ATOM 0 HB1 ALA A 500 8.018 13.094 2.101 1.00 0.18 H new ATOM 0 HB2 ALA A 500 7.814 11.448 2.745 1.00 0.18 H new ATOM 0 HB3 ALA A 500 8.649 11.699 1.194 1.00 0.18 H new ATOM 1161 N GLY A 501 6.803 12.820 -1.228 1.00 0.15 N ATOM 1162 CA GLY A 501 6.819 13.842 -2.276 1.00 0.15 C ATOM 1163 C GLY A 501 5.991 13.449 -3.457 1.00 0.15 C ATOM 1164 O GLY A 501 6.237 13.903 -4.572 1.00 0.15 O ATOM 0 H GLY A 501 7.071 11.894 -1.561 1.00 0.15 H new ATOM 0 HA2 GLY A 501 6.447 14.783 -1.870 1.00 0.15 H new ATOM 0 HA3 GLY A 501 7.846 14.017 -2.596 1.00 0.15 H new ATOM 1168 N ALA A 502 4.957 12.604 -3.223 1.00 0.13 N ATOM 1169 CA ALA A 502 4.023 12.091 -4.206 1.00 0.13 C ATOM 1170 C ALA A 502 2.780 12.977 -4.422 1.00 0.13 C ATOM 1171 O ALA A 502 1.856 12.615 -5.147 1.00 0.13 O ATOM 1172 CB ALA A 502 3.600 10.679 -3.734 1.00 0.13 C ATOM 0 H ALA A 502 4.758 12.254 -2.286 1.00 0.13 H new ATOM 0 HA ALA A 502 4.523 12.072 -5.174 1.00 0.13 H new ATOM 0 HB1 ALA A 502 2.894 10.253 -4.447 1.00 0.13 H new ATOM 0 HB2 ALA A 502 4.480 10.039 -3.668 1.00 0.13 H new ATOM 0 HB3 ALA A 502 3.128 10.749 -2.754 1.00 0.13 H new ATOM 1178 N GLY A 503 2.715 14.172 -3.766 1.00 0.12 N ATOM 1179 CA GLY A 503 1.567 15.089 -3.826 1.00 0.12 C ATOM 1180 C GLY A 503 0.611 14.915 -2.667 1.00 0.12 C ATOM 1181 O GLY A 503 -0.436 15.553 -2.601 1.00 0.12 O ATOM 0 H GLY A 503 3.473 14.517 -3.178 1.00 0.12 H new ATOM 0 HA2 GLY A 503 1.930 16.117 -3.839 1.00 0.12 H new ATOM 0 HA3 GLY A 503 1.029 14.929 -4.761 1.00 0.12 H new ATOM 1185 N ALA A 504 0.995 14.022 -1.720 1.00 0.14 N ATOM 1186 CA ALA A 504 0.298 13.657 -0.500 1.00 0.14 C ATOM 1187 C ALA A 504 0.859 14.374 0.733 1.00 0.14 C ATOM 1188 O ALA A 504 2.071 14.456 0.927 1.00 0.14 O ATOM 1189 CB ALA A 504 0.437 12.128 -0.284 1.00 0.14 C ATOM 0 H ALA A 504 1.871 13.509 -1.815 1.00 0.14 H new ATOM 0 HA ALA A 504 -0.744 13.954 -0.615 1.00 0.14 H new ATOM 0 HB1 ALA A 504 -0.083 11.841 0.630 1.00 0.14 H new ATOM 0 HB2 ALA A 504 -0.000 11.600 -1.131 1.00 0.14 H new ATOM 0 HB3 ALA A 504 1.492 11.867 -0.199 1.00 0.14 H new ATOM 1195 N THR A 505 -0.039 14.860 1.622 1.00 0.22 N ATOM 1196 CA THR A 505 0.257 15.523 2.887 1.00 0.22 C ATOM 1197 C THR A 505 0.360 14.512 4.027 1.00 0.22 C ATOM 1198 O THR A 505 -0.243 13.442 3.991 1.00 0.22 O ATOM 1199 CB THR A 505 -0.714 16.675 3.162 1.00 0.22 C ATOM 1200 OG1 THR A 505 -0.497 17.408 4.375 1.00 0.22 O ATOM 1201 CG2 THR A 505 -2.142 16.158 3.156 1.00 0.22 C ATOM 0 H THR A 505 -1.043 14.789 1.454 1.00 0.22 H new ATOM 0 HA THR A 505 1.240 15.988 2.812 1.00 0.22 H new ATOM 0 HB THR A 505 -0.525 17.383 2.355 1.00 0.22 H new ATOM 0 HG1 THR A 505 -1.167 18.119 4.452 1.00 0.22 H new ATOM 0 HG21 THR A 505 -2.828 16.982 3.352 1.00 0.22 H new ATOM 0 HG22 THR A 505 -2.367 15.722 2.183 1.00 0.22 H new ATOM 0 HG23 THR A 505 -2.257 15.398 3.929 1.00 0.22 H new ATOM 1209 N HIS A 506 1.086 14.875 5.122 1.00 0.30 N ATOM 1210 CA HIS A 506 1.201 14.142 6.374 1.00 0.30 C ATOM 1211 C HIS A 506 -0.072 14.433 7.173 1.00 0.30 C ATOM 1212 O HIS A 506 -0.327 15.514 7.703 1.00 0.30 O ATOM 1213 CB HIS A 506 2.497 14.536 7.114 1.00 0.30 C ATOM 1214 CG HIS A 506 2.695 13.785 8.393 1.00 0.30 C ATOM 1215 ND1 HIS A 506 3.117 14.320 9.589 1.00 0.30 N ATOM 1216 CD2 HIS A 506 2.442 12.477 8.637 1.00 0.30 C ATOM 1217 CE1 HIS A 506 3.086 13.315 10.500 1.00 0.30 C ATOM 1218 NE2 HIS A 506 2.672 12.182 9.966 1.00 0.30 N ATOM 0 H HIS A 506 1.629 15.738 5.135 1.00 0.30 H new ATOM 0 HA HIS A 506 1.281 13.067 6.214 1.00 0.30 H new ATOM 0 HB2 HIS A 506 3.350 14.358 6.459 1.00 0.30 H new ATOM 0 HB3 HIS A 506 2.476 15.605 7.327 1.00 0.30 H new ATOM 0 HD2 HIS A 506 2.108 11.765 7.897 1.00 0.30 H new ATOM 0 HE1 HIS A 506 3.366 13.429 11.537 1.00 0.30 H new ATOM 0 HE2 HIS A 506 2.549 11.284 10.433 1.00 0.30 H new ATOM 1226 N SER A 507 -0.988 13.452 7.096 1.00 0.26 N ATOM 1227 CA SER A 507 -2.382 13.633 7.518 1.00 0.26 C ATOM 1228 C SER A 507 -3.163 12.419 8.056 1.00 0.26 C ATOM 1229 O SER A 507 -4.162 12.002 7.455 1.00 0.26 O ATOM 1230 CB SER A 507 -3.124 14.373 6.390 1.00 0.26 C ATOM 1231 OG SER A 507 -2.770 15.757 6.353 1.00 0.26 O ATOM 0 H SER A 507 -0.782 12.518 6.741 1.00 0.26 H new ATOM 0 HA SER A 507 -2.329 14.221 8.434 1.00 0.26 H new ATOM 0 HB2 SER A 507 -2.888 13.910 5.432 1.00 0.26 H new ATOM 0 HB3 SER A 507 -4.200 14.275 6.535 1.00 0.26 H new ATOM 0 HG SER A 507 -1.984 15.909 6.918 1.00 0.26 H new ATOM 1237 N PRO A 508 -2.764 11.793 9.187 1.00 0.20 N ATOM 1238 CA PRO A 508 -3.468 10.684 9.866 1.00 0.20 C ATOM 1239 C PRO A 508 -4.881 10.992 10.416 1.00 0.20 C ATOM 1240 O PRO A 508 -5.121 12.143 10.773 1.00 0.20 O ATOM 1241 CB PRO A 508 -2.544 10.326 11.042 1.00 0.20 C ATOM 1242 CG PRO A 508 -1.183 10.691 10.488 1.00 0.20 C ATOM 1243 CD PRO A 508 -1.451 12.013 9.781 1.00 0.20 C ATOM 0 HA PRO A 508 -3.649 9.894 9.137 1.00 0.20 H new ATOM 0 HB2 PRO A 508 -2.786 10.895 11.940 1.00 0.20 H new ATOM 0 HB3 PRO A 508 -2.608 9.270 11.306 1.00 0.20 H new ATOM 0 HG2 PRO A 508 -0.440 10.798 11.278 1.00 0.20 H new ATOM 0 HG3 PRO A 508 -0.810 9.933 9.800 1.00 0.20 H new ATOM 0 HD2 PRO A 508 -1.456 12.852 10.477 1.00 0.20 H new ATOM 0 HD3 PRO A 508 -0.695 12.230 9.026 1.00 0.20 H new ATOM 1251 N PRO A 509 -5.817 10.020 10.523 1.00 0.37 N ATOM 1252 CA PRO A 509 -5.690 8.597 10.177 1.00 0.37 C ATOM 1253 C PRO A 509 -6.196 8.352 8.750 1.00 0.37 C ATOM 1254 O PRO A 509 -6.803 7.322 8.455 1.00 0.37 O ATOM 1255 CB PRO A 509 -6.625 7.980 11.228 1.00 0.37 C ATOM 1256 CG PRO A 509 -7.787 8.979 11.379 1.00 0.37 C ATOM 1257 CD PRO A 509 -7.159 10.333 11.019 1.00 0.37 C ATOM 0 HA PRO A 509 -4.677 8.195 10.188 1.00 0.37 H new ATOM 0 HB2 PRO A 509 -6.986 7.003 10.907 1.00 0.37 H new ATOM 0 HB3 PRO A 509 -6.108 7.833 12.176 1.00 0.37 H new ATOM 0 HG2 PRO A 509 -8.614 8.733 10.714 1.00 0.37 H new ATOM 0 HG3 PRO A 509 -8.184 8.980 12.394 1.00 0.37 H new ATOM 0 HD2 PRO A 509 -7.747 10.850 10.261 1.00 0.37 H new ATOM 0 HD3 PRO A 509 -7.113 10.989 11.889 1.00 0.37 H new ATOM 1265 N THR A 510 -5.958 9.324 7.844 1.00 0.65 N ATOM 1266 CA THR A 510 -6.476 9.341 6.485 1.00 0.65 C ATOM 1267 C THR A 510 -5.407 9.307 5.424 1.00 0.65 C ATOM 1268 O THR A 510 -5.640 8.730 4.366 1.00 0.65 O ATOM 1269 CB THR A 510 -7.437 10.517 6.246 1.00 0.65 C ATOM 1270 OG1 THR A 510 -6.978 11.767 6.789 1.00 0.65 O ATOM 1271 CG2 THR A 510 -8.763 10.169 6.952 1.00 0.65 C ATOM 0 H THR A 510 -5.381 10.137 8.058 1.00 0.65 H new ATOM 0 HA THR A 510 -7.037 8.411 6.390 1.00 0.65 H new ATOM 0 HB THR A 510 -7.529 10.649 5.168 1.00 0.65 H new ATOM 0 HG1 THR A 510 -6.013 11.717 6.955 1.00 0.65 H new ATOM 0 HG21 THR A 510 -9.476 10.980 6.807 1.00 0.65 H new ATOM 0 HG22 THR A 510 -9.169 9.249 6.531 1.00 0.65 H new ATOM 0 HG23 THR A 510 -8.582 10.031 8.018 1.00 0.65 H new ATOM 1279 N ASP A 511 -4.234 9.921 5.668 1.00 0.62 N ATOM 1280 CA ASP A 511 -3.174 10.061 4.708 1.00 0.62 C ATOM 1281 C ASP A 511 -1.928 9.734 5.488 1.00 0.62 C ATOM 1282 O ASP A 511 -1.400 10.546 6.254 1.00 0.62 O ATOM 1283 CB ASP A 511 -3.136 11.540 4.189 1.00 0.62 C ATOM 1284 CG ASP A 511 -2.660 11.670 2.736 1.00 0.62 C ATOM 1285 OD1 ASP A 511 -2.191 10.660 2.147 1.00 0.62 O ATOM 1286 OD2 ASP A 511 -2.756 12.806 2.198 1.00 0.62 O ATOM 0 H ASP A 511 -4.012 10.339 6.572 1.00 0.62 H new ATOM 0 HA ASP A 511 -3.290 9.419 3.835 1.00 0.62 H new ATOM 0 HB2 ASP A 511 -4.133 11.972 4.276 1.00 0.62 H new ATOM 0 HB3 ASP A 511 -2.478 12.125 4.832 1.00 0.62 H new ATOM 1291 N LEU A 512 -1.385 8.514 5.277 1.00 0.38 N ATOM 1292 CA LEU A 512 -0.176 8.100 5.980 1.00 0.38 C ATOM 1293 C LEU A 512 0.963 8.225 5.011 1.00 0.38 C ATOM 1294 O LEU A 512 1.129 7.415 4.105 1.00 0.38 O ATOM 1295 CB LEU A 512 -0.235 6.704 6.631 1.00 0.38 C ATOM 1296 CG LEU A 512 -1.285 6.534 7.750 1.00 0.38 C ATOM 1297 CD1 LEU A 512 -1.362 7.697 8.742 1.00 0.38 C ATOM 1298 CD2 LEU A 512 -2.638 6.176 7.135 1.00 0.38 C ATOM 0 H LEU A 512 -1.765 7.818 4.635 1.00 0.38 H new ATOM 0 HA LEU A 512 -0.044 8.757 6.840 1.00 0.38 H new ATOM 0 HB2 LEU A 512 -0.437 5.968 5.853 1.00 0.38 H new ATOM 0 HB3 LEU A 512 0.748 6.472 7.041 1.00 0.38 H new ATOM 0 HG LEU A 512 -0.952 5.705 8.375 1.00 0.38 H new ATOM 0 HD11 LEU A 512 -2.127 7.487 9.490 1.00 0.38 H new ATOM 0 HD12 LEU A 512 -0.397 7.820 9.234 1.00 0.38 H new ATOM 0 HD13 LEU A 512 -1.617 8.613 8.209 1.00 0.38 H new ATOM 0 HD21 LEU A 512 -3.377 6.057 7.927 1.00 0.38 H new ATOM 0 HD22 LEU A 512 -2.954 6.972 6.461 1.00 0.38 H new ATOM 0 HD23 LEU A 512 -2.549 5.243 6.578 1.00 0.38 H new ATOM 1310 N VAL A 513 1.744 9.311 5.183 1.00 0.38 N ATOM 1311 CA VAL A 513 2.850 9.726 4.354 1.00 0.38 C ATOM 1312 C VAL A 513 4.154 9.293 5.020 1.00 0.38 C ATOM 1313 O VAL A 513 4.440 9.655 6.164 1.00 0.38 O ATOM 1314 CB VAL A 513 2.665 11.201 3.972 1.00 0.38 C ATOM 1315 CG1 VAL A 513 3.658 12.150 4.635 1.00 0.38 C ATOM 1316 CG2 VAL A 513 2.727 11.313 2.437 1.00 0.38 C ATOM 0 H VAL A 513 1.593 9.952 5.962 1.00 0.38 H new ATOM 0 HA VAL A 513 2.892 9.230 3.384 1.00 0.38 H new ATOM 0 HB VAL A 513 1.692 11.520 4.347 1.00 0.38 H new ATOM 0 HG11 VAL A 513 3.457 13.171 4.311 1.00 0.38 H new ATOM 0 HG12 VAL A 513 3.555 12.086 5.718 1.00 0.38 H new ATOM 0 HG13 VAL A 513 4.673 11.872 4.350 1.00 0.38 H new ATOM 0 HG21 VAL A 513 2.598 12.354 2.143 1.00 0.38 H new ATOM 0 HG22 VAL A 513 3.694 10.954 2.085 1.00 0.38 H new ATOM 0 HG23 VAL A 513 1.933 10.710 1.996 1.00 0.38 H new ATOM 1326 N TRP A 514 4.961 8.463 4.302 1.00 0.57 N ATOM 1327 CA TRP A 514 6.239 7.920 4.785 1.00 0.57 C ATOM 1328 C TRP A 514 7.368 8.801 4.300 1.00 0.57 C ATOM 1329 O TRP A 514 7.240 9.476 3.285 1.00 0.57 O ATOM 1330 CB TRP A 514 6.409 6.405 4.484 1.00 0.57 C ATOM 1331 CG TRP A 514 7.786 5.763 4.669 1.00 0.57 C ATOM 1332 CD1 TRP A 514 8.687 5.616 3.668 1.00 0.57 C ATOM 1333 CD2 TRP A 514 8.413 5.202 5.841 1.00 0.57 C ATOM 1334 NE1 TRP A 514 9.727 4.828 4.080 1.00 0.57 N ATOM 1335 CE2 TRP A 514 9.613 4.598 5.413 1.00 0.57 C ATOM 1336 CE3 TRP A 514 8.043 5.153 7.172 1.00 0.57 C ATOM 1337 CZ2 TRP A 514 10.437 3.903 6.289 1.00 0.57 C ATOM 1338 CZ3 TRP A 514 8.818 4.347 8.023 1.00 0.57 C ATOM 1339 CH2 TRP A 514 9.981 3.707 7.585 1.00 0.57 C ATOM 0 H TRP A 514 4.728 8.155 3.358 1.00 0.57 H new ATOM 0 HA TRP A 514 6.256 7.950 5.874 1.00 0.57 H new ATOM 0 HB2 TRP A 514 5.705 5.863 5.116 1.00 0.57 H new ATOM 0 HB3 TRP A 514 6.104 6.238 3.451 1.00 0.57 H new ATOM 0 HD1 TRP A 514 8.597 6.057 2.686 1.00 0.57 H new ATOM 0 HE1 TRP A 514 10.470 4.470 3.480 1.00 0.57 H new ATOM 0 HE3 TRP A 514 7.195 5.710 7.542 1.00 0.57 H new ATOM 0 HZ2 TRP A 514 11.399 3.528 5.973 1.00 0.57 H new ATOM 0 HZ3 TRP A 514 8.505 4.218 9.049 1.00 0.57 H new ATOM 0 HH2 TRP A 514 10.525 3.059 8.256 1.00 0.57 H new ATOM 1350 N LYS A 515 8.439 8.814 5.129 1.00 0.60 N ATOM 1351 CA LYS A 515 9.608 9.677 5.121 1.00 0.60 C ATOM 1352 C LYS A 515 10.786 9.166 4.323 1.00 0.60 C ATOM 1353 O LYS A 515 11.360 9.906 3.529 1.00 0.60 O ATOM 1354 CB LYS A 515 10.056 10.057 6.571 1.00 0.60 C ATOM 1355 CG LYS A 515 9.138 11.080 7.286 1.00 0.60 C ATOM 1356 CD LYS A 515 7.793 10.538 7.795 1.00 0.60 C ATOM 1357 CE LYS A 515 6.966 11.598 8.536 1.00 0.60 C ATOM 1358 NZ LYS A 515 5.668 11.038 8.979 1.00 0.60 N ATOM 0 H LYS A 515 8.495 8.143 5.895 1.00 0.60 H new ATOM 0 HA LYS A 515 9.269 10.571 4.596 1.00 0.60 H new ATOM 0 HB2 LYS A 515 10.102 9.149 7.172 1.00 0.60 H new ATOM 0 HB3 LYS A 515 11.067 10.463 6.530 1.00 0.60 H new ATOM 0 HG2 LYS A 515 9.683 11.497 8.133 1.00 0.60 H new ATOM 0 HG3 LYS A 515 8.939 11.902 6.599 1.00 0.60 H new ATOM 0 HD2 LYS A 515 7.217 10.159 6.951 1.00 0.60 H new ATOM 0 HD3 LYS A 515 7.975 9.695 8.461 1.00 0.60 H new ATOM 0 HE2 LYS A 515 7.523 11.963 9.399 1.00 0.60 H new ATOM 0 HE3 LYS A 515 6.794 12.454 7.883 1.00 0.60 H new ATOM 0 HZ1 LYS A 515 5.028 11.813 9.245 1.00 0.60 H new ATOM 0 HZ2 LYS A 515 5.244 10.489 8.204 1.00 0.60 H new ATOM 0 HZ3 LYS A 515 5.820 10.418 9.800 1.00 0.60 H new ATOM 1372 N ALA A 516 11.190 7.875 4.517 1.00 0.54 N ATOM 1373 CA ALA A 516 12.414 7.278 3.953 1.00 0.54 C ATOM 1374 C ALA A 516 12.472 7.069 2.441 1.00 0.54 C ATOM 1375 O ALA A 516 13.523 6.744 1.892 1.00 0.54 O ATOM 1376 CB ALA A 516 12.847 6.005 4.717 1.00 0.54 C ATOM 0 H ALA A 516 10.654 7.217 5.083 1.00 0.54 H new ATOM 0 HA ALA A 516 13.145 8.070 4.115 1.00 0.54 H new ATOM 0 HB1 ALA A 516 13.753 5.600 4.266 1.00 0.54 H new ATOM 0 HB2 ALA A 516 13.042 6.255 5.760 1.00 0.54 H new ATOM 0 HB3 ALA A 516 12.052 5.261 4.665 1.00 0.54 H new ATOM 1382 N GLN A 517 11.345 7.338 1.747 1.00 0.69 N ATOM 1383 CA GLN A 517 11.244 7.439 0.316 1.00 0.69 C ATOM 1384 C GLN A 517 10.187 8.468 0.050 1.00 0.69 C ATOM 1385 O GLN A 517 9.144 8.503 0.702 1.00 0.69 O ATOM 1386 CB GLN A 517 10.932 6.146 -0.452 1.00 0.69 C ATOM 1387 CG GLN A 517 12.155 5.291 -0.856 1.00 0.69 C ATOM 1388 CD GLN A 517 13.293 6.063 -1.524 1.00 0.69 C ATOM 1389 OE1 GLN A 517 13.335 6.212 -2.744 1.00 0.69 O ATOM 1390 NE2 GLN A 517 14.258 6.554 -0.712 1.00 0.69 N ATOM 0 H GLN A 517 10.451 7.494 2.213 1.00 0.69 H new ATOM 0 HA GLN A 517 12.232 7.705 -0.059 1.00 0.69 H new ATOM 0 HB2 GLN A 517 10.270 5.533 0.160 1.00 0.69 H new ATOM 0 HB3 GLN A 517 10.380 6.406 -1.355 1.00 0.69 H new ATOM 0 HG2 GLN A 517 12.545 4.798 0.035 1.00 0.69 H new ATOM 0 HG3 GLN A 517 11.822 4.506 -1.535 1.00 0.69 H new ATOM 0 HE21 GLN A 517 14.196 6.414 0.296 1.00 0.69 H new ATOM 0 HE22 GLN A 517 15.048 7.064 -1.109 1.00 0.69 H new ATOM 1520 N ARG A 527 6.837 -4.290 -6.307 1.00 0.46 N ATOM 1521 CA ARG A 527 5.861 -5.132 -5.660 1.00 0.46 C ATOM 1522 C ARG A 527 5.628 -4.473 -4.320 1.00 0.46 C ATOM 1523 O ARG A 527 6.552 -4.325 -3.513 1.00 0.46 O ATOM 1524 CB ARG A 527 6.444 -6.557 -5.441 1.00 0.46 C ATOM 1525 CG ARG A 527 6.571 -7.398 -6.723 1.00 0.46 C ATOM 1526 CD ARG A 527 7.576 -8.556 -6.603 1.00 0.46 C ATOM 1527 NE ARG A 527 8.980 -8.016 -6.756 1.00 0.46 N ATOM 1528 CZ ARG A 527 9.653 -7.981 -7.951 1.00 0.46 C ATOM 1529 NH1 ARG A 527 9.101 -8.503 -9.084 1.00 0.46 N ATOM 1530 NH2 ARG A 527 10.894 -7.415 -8.012 1.00 0.46 N ATOM 0 HA ARG A 527 4.949 -5.237 -6.248 1.00 0.46 H new ATOM 0 HB2 ARG A 527 7.428 -6.466 -4.982 1.00 0.46 H new ATOM 0 HB3 ARG A 527 5.810 -7.090 -4.733 1.00 0.46 H new ATOM 0 HG2 ARG A 527 5.592 -7.803 -6.980 1.00 0.46 H new ATOM 0 HG3 ARG A 527 6.874 -6.749 -7.545 1.00 0.46 H new ATOM 0 HD2 ARG A 527 7.467 -9.049 -5.637 1.00 0.46 H new ATOM 0 HD3 ARG A 527 7.377 -9.306 -7.368 1.00 0.46 H new ATOM 0 HE ARG A 527 9.452 -7.658 -5.926 1.00 0.46 H new ATOM 0 HH11 ARG A 527 8.174 -8.928 -9.051 1.00 0.46 H new ATOM 0 HH12 ARG A 527 9.615 -8.469 -9.964 1.00 0.46 H new ATOM 0 HH21 ARG A 527 11.317 -7.021 -7.172 1.00 0.46 H new ATOM 0 HH22 ARG A 527 11.399 -7.386 -8.898 1.00 0.46 H new ATOM 1544 N THR A 528 4.376 -4.028 -4.072 1.00 0.24 N ATOM 1545 CA THR A 528 3.961 -3.319 -2.878 1.00 0.24 C ATOM 1546 C THR A 528 2.923 -4.158 -2.209 1.00 0.24 C ATOM 1547 O THR A 528 2.032 -4.690 -2.869 1.00 0.24 O ATOM 1548 CB THR A 528 3.298 -2.001 -3.262 1.00 0.24 C ATOM 1549 OG1 THR A 528 4.249 -1.168 -3.902 1.00 0.24 O ATOM 1550 CG2 THR A 528 2.763 -1.233 -2.043 1.00 0.24 C ATOM 0 H THR A 528 3.611 -4.166 -4.733 1.00 0.24 H new ATOM 0 HA THR A 528 4.822 -3.129 -2.237 1.00 0.24 H new ATOM 0 HB THR A 528 2.462 -2.247 -3.917 1.00 0.24 H new ATOM 0 HG1 THR A 528 4.128 -0.243 -3.602 1.00 0.24 H new ATOM 0 HG21 THR A 528 2.301 -0.303 -2.373 1.00 0.24 H new ATOM 0 HG22 THR A 528 2.022 -1.842 -1.526 1.00 0.24 H new ATOM 0 HG23 THR A 528 3.586 -1.009 -1.364 1.00 0.24 H new ATOM 1558 N ALA A 529 2.939 -4.271 -0.865 1.00 0.22 N ATOM 1559 CA ALA A 529 1.851 -4.991 -0.254 1.00 0.22 C ATOM 1560 C ALA A 529 1.710 -4.500 1.150 1.00 0.22 C ATOM 1561 O ALA A 529 2.697 -4.125 1.787 1.00 0.22 O ATOM 1562 CB ALA A 529 2.076 -6.523 -0.284 1.00 0.22 C ATOM 0 H ALA A 529 3.648 -3.895 -0.236 1.00 0.22 H new ATOM 0 HA ALA A 529 0.936 -4.808 -0.817 1.00 0.22 H new ATOM 0 HB1 ALA A 529 1.231 -7.024 0.187 1.00 0.22 H new ATOM 0 HB2 ALA A 529 2.166 -6.857 -1.318 1.00 0.22 H new ATOM 0 HB3 ALA A 529 2.990 -6.767 0.257 1.00 0.22 H new ATOM 1568 N LEU A 530 0.461 -4.539 1.674 1.00 0.44 N ATOM 1569 CA LEU A 530 0.112 -4.311 3.058 1.00 0.44 C ATOM 1570 C LEU A 530 -0.058 -5.682 3.749 1.00 0.44 C ATOM 1571 O LEU A 530 -0.714 -6.600 3.230 1.00 0.44 O ATOM 1572 CB LEU A 530 -1.135 -3.357 3.098 1.00 0.44 C ATOM 1573 CG LEU A 530 -1.842 -3.051 4.447 1.00 0.44 C ATOM 1574 CD1 LEU A 530 -2.989 -4.057 4.698 1.00 0.44 C ATOM 1575 CD2 LEU A 530 -0.914 -2.940 5.657 1.00 0.44 C ATOM 0 H LEU A 530 -0.355 -4.742 1.097 1.00 0.44 H new ATOM 0 HA LEU A 530 0.888 -3.798 3.626 1.00 0.44 H new ATOM 0 HB2 LEU A 530 -0.826 -2.403 2.672 1.00 0.44 H new ATOM 0 HB3 LEU A 530 -1.885 -3.777 2.428 1.00 0.44 H new ATOM 0 HG LEU A 530 -2.256 -2.049 4.337 1.00 0.44 H new ATOM 0 HD11 LEU A 530 -3.473 -3.828 5.647 1.00 0.44 H new ATOM 0 HD12 LEU A 530 -3.719 -3.985 3.892 1.00 0.44 H new ATOM 0 HD13 LEU A 530 -2.585 -5.069 4.732 1.00 0.44 H new ATOM 0 HD21 LEU A 530 -1.503 -2.725 6.549 1.00 0.44 H new ATOM 0 HD22 LEU A 530 -0.380 -3.880 5.793 1.00 0.44 H new ATOM 0 HD23 LEU A 530 -0.197 -2.136 5.493 1.00 0.44 H new ATOM 1587 N ILE A 531 0.510 -5.788 5.003 1.00 0.48 N ATOM 1588 CA ILE A 531 0.411 -6.848 5.999 1.00 0.48 C ATOM 1589 C ILE A 531 -0.677 -6.366 6.910 1.00 0.48 C ATOM 1590 O ILE A 531 -0.529 -5.274 7.471 1.00 0.48 O ATOM 1591 CB ILE A 531 1.668 -6.979 6.879 1.00 0.48 C ATOM 1592 CG1 ILE A 531 2.913 -7.298 6.056 1.00 0.48 C ATOM 1593 CG2 ILE A 531 1.544 -8.014 8.001 1.00 0.48 C ATOM 1594 CD1 ILE A 531 2.749 -8.438 5.044 1.00 0.48 C ATOM 0 H ILE A 531 1.107 -5.036 5.347 1.00 0.48 H new ATOM 0 HA ILE A 531 0.254 -7.807 5.505 1.00 0.48 H new ATOM 0 HB ILE A 531 1.768 -5.998 7.343 1.00 0.48 H new ATOM 0 HG12 ILE A 531 3.216 -6.398 5.520 1.00 0.48 H new ATOM 0 HG13 ILE A 531 3.725 -7.552 6.737 1.00 0.48 H new ATOM 0 HG21 ILE A 531 2.471 -8.044 8.573 1.00 0.48 H new ATOM 0 HG22 ILE A 531 0.720 -7.740 8.660 1.00 0.48 H new ATOM 0 HG23 ILE A 531 1.352 -8.997 7.570 1.00 0.48 H new ATOM 0 HD11 ILE A 531 3.687 -8.588 4.510 1.00 0.48 H new ATOM 0 HD12 ILE A 531 2.480 -9.355 5.569 1.00 0.48 H new ATOM 0 HD13 ILE A 531 1.963 -8.183 4.333 1.00 0.48 H new ATOM 1606 N ASN A 532 -1.754 -7.187 7.069 1.00 0.42 N ATOM 1607 CA ASN A 532 -2.970 -6.987 7.846 1.00 0.42 C ATOM 1608 C ASN A 532 -2.813 -6.682 9.323 1.00 0.42 C ATOM 1609 O ASN A 532 -1.733 -6.494 9.883 1.00 0.42 O ATOM 1610 CB ASN A 532 -4.036 -8.127 7.626 1.00 0.42 C ATOM 1611 CG ASN A 532 -4.014 -9.450 8.437 1.00 0.42 C ATOM 1612 OD1 ASN A 532 -3.186 -9.740 9.299 1.00 0.42 O ATOM 1613 ND2 ASN A 532 -5.034 -10.299 8.163 1.00 0.42 N ATOM 0 H ASN A 532 -1.774 -8.093 6.600 1.00 0.42 H new ATOM 0 HA ASN A 532 -3.340 -6.055 7.420 1.00 0.42 H new ATOM 0 HB2 ASN A 532 -5.015 -7.676 7.789 1.00 0.42 H new ATOM 0 HB3 ASN A 532 -3.985 -8.404 6.573 1.00 0.42 H new ATOM 0 HD21 ASN A 532 -5.116 -11.179 8.672 1.00 0.42 H new ATOM 0 HD22 ASN A 532 -5.720 -10.058 7.448 1.00 0.42 H new ATOM 1620 N SER A 533 -3.967 -6.705 10.017 1.00 0.53 N ATOM 1621 CA SER A 533 -4.106 -6.497 11.444 1.00 0.53 C ATOM 1622 C SER A 533 -3.641 -7.648 12.362 1.00 0.53 C ATOM 1623 O SER A 533 -3.763 -7.541 13.577 1.00 0.53 O ATOM 1624 CB SER A 533 -5.615 -6.258 11.743 1.00 0.53 C ATOM 1625 OG SER A 533 -6.484 -7.219 11.130 1.00 0.53 O ATOM 0 H SER A 533 -4.863 -6.879 9.562 1.00 0.53 H new ATOM 0 HA SER A 533 -3.451 -5.656 11.671 1.00 0.53 H new ATOM 0 HB2 SER A 533 -5.770 -6.278 12.822 1.00 0.53 H new ATOM 0 HB3 SER A 533 -5.891 -5.261 11.399 1.00 0.53 H new ATOM 0 HG SER A 533 -7.284 -7.337 11.684 1.00 0.53 H new ATOM 1631 N THR A 534 -3.159 -8.787 11.807 1.00 0.57 N ATOM 1632 CA THR A 534 -2.736 -9.982 12.563 1.00 0.57 C ATOM 1633 C THR A 534 -1.429 -10.536 12.010 1.00 0.57 C ATOM 1634 O THR A 534 -0.978 -11.615 12.388 1.00 0.57 O ATOM 1635 CB THR A 534 -3.786 -11.108 12.551 1.00 0.57 C ATOM 1636 OG1 THR A 534 -4.321 -11.328 11.247 1.00 0.57 O ATOM 1637 CG2 THR A 534 -4.963 -10.745 13.471 1.00 0.57 C ATOM 0 H THR A 534 -3.053 -8.898 10.799 1.00 0.57 H new ATOM 0 HA THR A 534 -2.607 -9.649 13.593 1.00 0.57 H new ATOM 0 HB THR A 534 -3.277 -12.010 12.892 1.00 0.57 H new ATOM 0 HG1 THR A 534 -3.793 -10.830 10.589 1.00 0.57 H new ATOM 0 HG21 THR A 534 -5.699 -11.549 13.454 1.00 0.57 H new ATOM 0 HG22 THR A 534 -4.600 -10.607 14.489 1.00 0.57 H new ATOM 0 HG23 THR A 534 -5.426 -9.822 13.123 1.00 0.57 H new ATOM 1645 N GLY A 535 -0.842 -9.813 11.033 1.00 0.49 N ATOM 1646 CA GLY A 535 0.326 -10.184 10.254 1.00 0.49 C ATOM 1647 C GLY A 535 0.228 -11.223 9.161 1.00 0.49 C ATOM 1648 O GLY A 535 1.144 -12.009 8.953 1.00 0.49 O ATOM 0 H GLY A 535 -1.205 -8.899 10.761 1.00 0.49 H new ATOM 0 HA2 GLY A 535 0.708 -9.272 9.796 1.00 0.49 H new ATOM 0 HA3 GLY A 535 1.084 -10.529 10.957 1.00 0.49 H new ATOM 1652 N GLU A 536 -0.873 -11.213 8.376 1.00 0.56 N ATOM 1653 CA GLU A 536 -1.090 -11.993 7.186 1.00 0.56 C ATOM 1654 C GLU A 536 -1.136 -10.937 6.118 1.00 0.56 C ATOM 1655 O GLU A 536 -1.743 -9.900 6.329 1.00 0.56 O ATOM 1656 CB GLU A 536 -2.449 -12.728 7.160 1.00 0.56 C ATOM 1657 CG GLU A 536 -2.474 -13.852 8.203 1.00 0.56 C ATOM 1658 CD GLU A 536 -3.911 -14.225 8.548 1.00 0.56 C ATOM 1659 OE1 GLU A 536 -4.654 -14.642 7.619 1.00 0.56 O ATOM 1660 OE2 GLU A 536 -4.288 -14.099 9.743 1.00 0.56 O ATOM 0 H GLU A 536 -1.671 -10.614 8.590 1.00 0.56 H new ATOM 0 HA GLU A 536 -0.327 -12.765 7.086 1.00 0.56 H new ATOM 0 HB2 GLU A 536 -3.255 -12.021 7.359 1.00 0.56 H new ATOM 0 HB3 GLU A 536 -2.626 -13.142 6.167 1.00 0.56 H new ATOM 0 HG2 GLU A 536 -1.947 -14.725 7.818 1.00 0.56 H new ATOM 0 HG3 GLU A 536 -1.948 -13.533 9.103 1.00 0.56 H new ATOM 1667 N GLU A 537 -0.553 -11.173 4.938 1.00 0.57 N ATOM 1668 CA GLU A 537 -0.641 -10.294 3.759 1.00 0.57 C ATOM 1669 C GLU A 537 -2.031 -10.354 3.125 1.00 0.57 C ATOM 1670 O GLU A 537 -2.542 -11.421 2.791 1.00 0.57 O ATOM 1671 CB GLU A 537 0.426 -10.605 2.695 1.00 0.57 C ATOM 1672 CG GLU A 537 0.626 -9.474 1.668 1.00 0.57 C ATOM 1673 CD GLU A 537 1.583 -9.931 0.570 1.00 0.57 C ATOM 1674 OE1 GLU A 537 2.768 -10.210 0.896 1.00 0.57 O ATOM 1675 OE2 GLU A 537 1.144 -10.003 -0.609 1.00 0.57 O ATOM 0 H GLU A 537 0.011 -12.006 4.768 1.00 0.57 H new ATOM 0 HA GLU A 537 -0.453 -9.285 4.127 1.00 0.57 H new ATOM 0 HB2 GLU A 537 1.375 -10.804 3.193 1.00 0.57 H new ATOM 0 HB3 GLU A 537 0.145 -11.517 2.168 1.00 0.57 H new ATOM 0 HG2 GLU A 537 -0.333 -9.193 1.233 1.00 0.57 H new ATOM 0 HG3 GLU A 537 1.023 -8.588 2.163 1.00 0.57 H new ATOM 1682 N VAL A 538 -2.690 -9.176 3.018 1.00 0.44 N ATOM 1683 CA VAL A 538 -4.100 -9.090 2.592 1.00 0.44 C ATOM 1684 C VAL A 538 -4.422 -8.168 1.455 1.00 0.44 C ATOM 1685 O VAL A 538 -5.482 -8.268 0.862 1.00 0.44 O ATOM 1686 CB VAL A 538 -5.080 -8.769 3.729 1.00 0.44 C ATOM 1687 CG1 VAL A 538 -4.997 -9.826 4.845 1.00 0.44 C ATOM 1688 CG2 VAL A 538 -4.974 -7.303 4.205 1.00 0.44 C ATOM 0 H VAL A 538 -2.263 -8.272 3.222 1.00 0.44 H new ATOM 0 HA VAL A 538 -4.236 -10.110 2.231 1.00 0.44 H new ATOM 0 HB VAL A 538 -6.095 -8.840 3.339 1.00 0.44 H new ATOM 0 HG11 VAL A 538 -5.702 -9.574 5.638 1.00 0.44 H new ATOM 0 HG12 VAL A 538 -5.245 -10.806 4.437 1.00 0.44 H new ATOM 0 HG13 VAL A 538 -3.986 -9.847 5.252 1.00 0.44 H new ATOM 0 HG21 VAL A 538 -5.688 -7.129 5.010 1.00 0.44 H new ATOM 0 HG22 VAL A 538 -3.964 -7.110 4.568 1.00 0.44 H new ATOM 0 HG23 VAL A 538 -5.194 -6.634 3.373 1.00 0.44 H new ATOM 1698 N ALA A 539 -3.596 -7.179 1.124 1.00 0.31 N ATOM 1699 CA ALA A 539 -3.914 -6.298 0.010 1.00 0.31 C ATOM 1700 C ALA A 539 -2.629 -5.791 -0.592 1.00 0.31 C ATOM 1701 O ALA A 539 -1.837 -5.040 -0.006 1.00 0.31 O ATOM 1702 CB ALA A 539 -5.019 -5.252 0.280 1.00 0.31 C ATOM 0 H ALA A 539 -2.719 -6.972 1.602 1.00 0.31 H new ATOM 0 HA ALA A 539 -4.421 -6.879 -0.760 1.00 0.31 H new ATOM 0 HB1 ALA A 539 -5.176 -4.649 -0.615 1.00 0.31 H new ATOM 0 HB2 ALA A 539 -5.946 -5.762 0.542 1.00 0.31 H new ATOM 0 HB3 ALA A 539 -4.715 -4.606 1.104 1.00 0.31 H new ATOM 1708 N MET A 540 -2.410 -6.305 -1.821 1.00 0.46 N ATOM 1709 CA MET A 540 -1.231 -6.161 -2.629 1.00 0.46 C ATOM 1710 C MET A 540 -1.455 -5.392 -3.925 1.00 0.46 C ATOM 1711 O MET A 540 -2.489 -5.539 -4.581 1.00 0.46 O ATOM 1712 CB MET A 540 -0.661 -7.599 -2.785 1.00 0.46 C ATOM 1713 CG MET A 540 -0.845 -8.407 -4.091 1.00 0.46 C ATOM 1714 SD MET A 540 0.708 -9.061 -4.776 1.00 0.46 S ATOM 1715 CE MET A 540 1.280 -7.432 -5.324 1.00 0.46 C ATOM 0 H MET A 540 -3.120 -6.869 -2.288 1.00 0.46 H new ATOM 0 HA MET A 540 -0.491 -5.520 -2.150 1.00 0.46 H new ATOM 0 HB2 MET A 540 0.411 -7.536 -2.601 1.00 0.46 H new ATOM 0 HB3 MET A 540 -1.088 -8.197 -1.980 1.00 0.46 H new ATOM 0 HG2 MET A 540 -1.525 -9.237 -3.901 1.00 0.46 H new ATOM 0 HG3 MET A 540 -1.320 -7.770 -4.837 1.00 0.46 H new ATOM 0 HE1 MET A 540 2.254 -7.531 -5.803 1.00 0.46 H new ATOM 0 HE2 MET A 540 0.566 -7.016 -6.035 1.00 0.46 H new ATOM 0 HE3 MET A 540 1.364 -6.768 -4.464 1.00 0.46 H new ATOM 1725 N ARG A 541 -0.449 -4.559 -4.323 1.00 0.63 N ATOM 1726 CA ARG A 541 -0.368 -3.766 -5.541 1.00 0.63 C ATOM 1727 C ARG A 541 0.964 -4.087 -6.224 1.00 0.63 C ATOM 1728 O ARG A 541 2.016 -4.114 -5.585 1.00 0.63 O ATOM 1729 CB ARG A 541 -0.432 -2.236 -5.230 1.00 0.63 C ATOM 1730 CG ARG A 541 -0.519 -1.323 -6.476 1.00 0.63 C ATOM 1731 CD ARG A 541 -0.252 0.164 -6.189 1.00 0.63 C ATOM 1732 NE ARG A 541 1.199 0.345 -5.833 1.00 0.63 N ATOM 1733 CZ ARG A 541 1.842 1.554 -5.888 1.00 0.63 C ATOM 1734 NH1 ARG A 541 1.171 2.696 -6.216 1.00 0.63 N ATOM 1735 NH2 ARG A 541 3.177 1.610 -5.614 1.00 0.63 N ATOM 0 H ARG A 541 0.379 -4.430 -3.741 1.00 0.63 H new ATOM 0 HA ARG A 541 -1.213 -4.011 -6.185 1.00 0.63 H new ATOM 0 HB2 ARG A 541 -1.298 -2.045 -4.596 1.00 0.63 H new ATOM 0 HB3 ARG A 541 0.452 -1.959 -4.655 1.00 0.63 H new ATOM 0 HG2 ARG A 541 0.198 -1.672 -7.219 1.00 0.63 H new ATOM 0 HG3 ARG A 541 -1.510 -1.424 -6.918 1.00 0.63 H new ATOM 0 HD2 ARG A 541 -0.503 0.766 -7.062 1.00 0.63 H new ATOM 0 HD3 ARG A 541 -0.885 0.509 -5.372 1.00 0.63 H new ATOM 0 HE ARG A 541 1.731 -0.473 -5.536 1.00 0.63 H new ATOM 0 HH11 ARG A 541 0.173 2.659 -6.425 1.00 0.63 H new ATOM 0 HH12 ARG A 541 1.667 3.587 -6.252 1.00 0.63 H new ATOM 0 HH21 ARG A 541 3.684 0.759 -5.372 1.00 0.63 H new ATOM 0 HH22 ARG A 541 3.668 2.503 -5.651 1.00 0.63 H new ATOM 1749 N LYS A 542 0.997 -4.317 -7.558 1.00 0.41 N ATOM 1750 CA LYS A 542 2.235 -4.569 -8.282 1.00 0.41 C ATOM 1751 C LYS A 542 2.233 -3.718 -9.531 1.00 0.41 C ATOM 1752 O LYS A 542 1.243 -3.660 -10.261 1.00 0.41 O ATOM 1753 CB LYS A 542 2.415 -6.071 -8.652 1.00 0.41 C ATOM 1754 CG LYS A 542 3.840 -6.497 -9.052 1.00 0.41 C ATOM 1755 CD LYS A 542 3.926 -7.940 -9.586 1.00 0.41 C ATOM 1756 CE LYS A 542 3.358 -9.007 -8.636 1.00 0.41 C ATOM 1757 NZ LYS A 542 3.561 -10.367 -9.189 1.00 0.41 N ATOM 0 H LYS A 542 0.164 -4.330 -8.146 1.00 0.41 H new ATOM 0 HA LYS A 542 3.074 -4.309 -7.636 1.00 0.41 H new ATOM 0 HB2 LYS A 542 2.101 -6.675 -7.801 1.00 0.41 H new ATOM 0 HB3 LYS A 542 1.741 -6.306 -9.476 1.00 0.41 H new ATOM 0 HG2 LYS A 542 4.214 -5.814 -9.814 1.00 0.41 H new ATOM 0 HG3 LYS A 542 4.496 -6.399 -8.187 1.00 0.41 H new ATOM 0 HD2 LYS A 542 3.392 -7.995 -10.535 1.00 0.41 H new ATOM 0 HD3 LYS A 542 4.970 -8.175 -9.794 1.00 0.41 H new ATOM 0 HE2 LYS A 542 3.843 -8.929 -7.663 1.00 0.41 H new ATOM 0 HE3 LYS A 542 2.294 -8.829 -8.477 1.00 0.41 H new ATOM 0 HZ1 LYS A 542 3.170 -11.071 -8.531 1.00 0.41 H new ATOM 0 HZ2 LYS A 542 3.078 -10.444 -10.107 1.00 0.41 H new ATOM 0 HZ3 LYS A 542 4.578 -10.541 -9.318 1.00 0.41 H new ATOM 1771 N LEU A 543 3.382 -3.068 -9.823 1.00 0.31 N ATOM 1772 CA LEU A 543 3.600 -2.320 -11.060 1.00 0.31 C ATOM 1773 C LEU A 543 4.796 -3.022 -11.677 1.00 0.31 C ATOM 1774 O LEU A 543 5.801 -3.264 -11.002 1.00 0.31 O ATOM 1775 CB LEU A 543 3.862 -0.814 -10.825 1.00 0.31 C ATOM 1776 CG LEU A 543 2.586 0.050 -10.973 1.00 0.31 C ATOM 1777 CD1 LEU A 543 1.766 0.182 -9.681 1.00 0.31 C ATOM 1778 CD2 LEU A 543 2.930 1.433 -11.550 1.00 0.31 C ATOM 0 H LEU A 543 4.185 -3.054 -9.194 1.00 0.31 H new ATOM 0 HA LEU A 543 2.720 -2.320 -11.704 1.00 0.31 H new ATOM 0 HB2 LEU A 543 4.276 -0.674 -9.826 1.00 0.31 H new ATOM 0 HB3 LEU A 543 4.614 -0.466 -11.533 1.00 0.31 H new ATOM 0 HG LEU A 543 1.944 -0.484 -11.674 1.00 0.31 H new ATOM 0 HD11 LEU A 543 0.889 0.802 -9.868 1.00 0.31 H new ATOM 0 HD12 LEU A 543 1.448 -0.806 -9.350 1.00 0.31 H new ATOM 0 HD13 LEU A 543 2.379 0.644 -8.907 1.00 0.31 H new ATOM 0 HD21 LEU A 543 2.019 2.024 -11.646 1.00 0.31 H new ATOM 0 HD22 LEU A 543 3.625 1.943 -10.883 1.00 0.31 H new ATOM 0 HD23 LEU A 543 3.390 1.314 -12.531 1.00 0.31 H new