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= 3.23 K(o=4.3,f=-10!) USER MOD Set 1.2: A 534 THR OG1 : rot 4:sc= 1.07 USER MOD Set 2.1: A 463 SER OG : rot -72:sc= 1.01 USER MOD Set 2.2: A 488 THR OG1 : rot 6:sc= 1.2 USER MOD Single : A 436 THR OG1 : rot 29:sc= 0.146 USER MOD Single : A 437 SER OG : rot -22:sc= 0.339 USER MOD Single : A 456 ASN : amide:sc= -2.87 K(o=-2.9,f=-13!) USER MOD Single : A 457 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 458 SER OG : rot -99:sc= 0.462 USER MOD Single : A 459 ASN : amide:sc= 0.0304 X(o=0.03,f=-0.08) USER MOD Single : A 462 GLN : amide:sc= -3.87! C(o=-3.9!,f=-3.7!) USER MOD Single : A 464 MET CE :methyl 156:sc= -1.88 (180deg=-3.8!) USER MOD Single : A 466 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 468 GLN : amide:sc= 0 K(o=0,f=-0.82) USER MOD Single : A 470 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 472 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 480 THR OG1 : rot 4:sc= 0.539 USER MOD Single : A 481 TYR OH : rot 130:sc= 0 USER MOD Single : A 486 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 490 LYS NZ :NH3+ -162:sc= 0.0346 (180deg=-0.000907) USER MOD Single : A 493 GLN :FLIP amide:sc= -4.53! C(o=-11!,f=-4.5!) USER MOD Single : A 496 THR OG1 : rot 180:sc= 0 USER MOD Single : A 505 THR OG1 : rot 180:sc= 0 USER MOD Single : A 506 HIS : no HD1:sc= -0.0127 X(o=-0.013,f=-0.016) USER MOD Single : A 507 SER OG : rot 38:sc= -0.0736 USER MOD Single : A 510 THR OG1 : rot 17:sc= 0.219 USER MOD Single : A 515 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 517 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 528 THR OG1 : rot 180:sc= 0 USER MOD Single : A 533 SER OG : rot 180:sc= 0.0245 USER MOD Single : A 540 MET CE :methyl 175:sc= -0.122 (180deg=-0.202) USER MOD Single : A 542 LYS NZ :NH3+ -147:sc=-0.000597 (180deg=-0.955) USER MOD ----------------------------------------------------------------- ATOM 88 N ALA A 434 -3.066 -6.806 -9.275 1.00 0.55 N ATOM 89 CA ALA A 434 -3.263 -6.635 -7.864 1.00 0.55 C ATOM 90 C ALA A 434 -4.278 -7.633 -7.397 1.00 0.55 C ATOM 91 O ALA A 434 -5.140 -8.086 -8.157 1.00 0.55 O ATOM 92 CB ALA A 434 -3.502 -5.176 -7.470 1.00 0.55 C ATOM 0 HA ALA A 434 -2.346 -6.857 -7.319 1.00 0.55 H new ATOM 0 HB1 ALA A 434 -3.644 -5.109 -6.391 1.00 0.55 H new ATOM 0 HB2 ALA A 434 -2.640 -4.575 -7.760 1.00 0.55 H new ATOM 0 HB3 ALA A 434 -4.392 -4.803 -7.977 1.00 0.55 H new ATOM 98 N ARG A 435 -4.158 -8.020 -6.103 1.00 0.93 N ATOM 99 CA ARG A 435 -5.001 -8.991 -5.435 1.00 0.93 C ATOM 100 C ARG A 435 -5.323 -8.567 -4.026 1.00 0.93 C ATOM 101 O ARG A 435 -4.546 -7.915 -3.330 1.00 0.93 O ATOM 102 CB ARG A 435 -4.302 -10.380 -5.361 1.00 0.93 C ATOM 103 CG ARG A 435 -3.966 -11.020 -6.725 1.00 0.93 C ATOM 104 CD ARG A 435 -3.357 -12.426 -6.615 1.00 0.93 C ATOM 105 NE ARG A 435 -2.043 -12.330 -5.884 1.00 0.93 N ATOM 106 CZ ARG A 435 -1.205 -13.398 -5.708 1.00 0.93 C ATOM 107 NH1 ARG A 435 -1.529 -14.632 -6.194 1.00 0.93 N ATOM 108 NH2 ARG A 435 -0.027 -13.224 -5.040 1.00 0.93 N ATOM 0 H ARG A 435 -3.438 -7.638 -5.490 1.00 0.93 H new ATOM 0 HA ARG A 435 -5.918 -9.058 -6.021 1.00 0.93 H new ATOM 0 HB2 ARG A 435 -3.380 -10.275 -4.790 1.00 0.93 H new ATOM 0 HB3 ARG A 435 -4.945 -11.063 -4.806 1.00 0.93 H new ATOM 0 HG2 ARG A 435 -4.875 -11.073 -7.325 1.00 0.93 H new ATOM 0 HG3 ARG A 435 -3.270 -10.373 -7.258 1.00 0.93 H new ATOM 0 HD2 ARG A 435 -4.037 -13.091 -6.083 1.00 0.93 H new ATOM 0 HD3 ARG A 435 -3.207 -12.851 -7.607 1.00 0.93 H new ATOM 0 HE ARG A 435 -1.765 -11.426 -5.502 1.00 0.93 H new ATOM 0 HH11 ARG A 435 -2.406 -14.768 -6.696 1.00 0.93 H new ATOM 0 HH12 ARG A 435 -0.894 -15.418 -6.055 1.00 0.93 H new ATOM 0 HH21 ARG A 435 0.222 -12.304 -4.677 1.00 0.93 H new ATOM 0 HH22 ARG A 435 0.604 -14.014 -4.904 1.00 0.93 H new ATOM 122 N THR A 436 -6.552 -8.942 -3.612 1.00 0.95 N ATOM 123 CA THR A 436 -7.203 -8.515 -2.392 1.00 0.95 C ATOM 124 C THR A 436 -7.619 -9.597 -1.471 1.00 0.95 C ATOM 125 O THR A 436 -8.129 -10.612 -1.942 1.00 0.95 O ATOM 126 CB THR A 436 -8.559 -7.887 -2.767 1.00 0.95 C ATOM 127 OG1 THR A 436 -9.375 -8.673 -3.651 1.00 0.95 O ATOM 128 CG2 THR A 436 -8.204 -6.616 -3.507 1.00 0.95 C ATOM 0 H THR A 436 -7.130 -9.581 -4.157 1.00 0.95 H new ATOM 0 HA THR A 436 -6.465 -7.874 -1.910 1.00 0.95 H new ATOM 0 HB THR A 436 -9.140 -7.765 -1.853 1.00 0.95 H new ATOM 0 HG1 THR A 436 -9.182 -9.624 -3.515 1.00 0.95 H new ATOM 0 HG21 THR A 436 -9.117 -6.105 -3.811 1.00 0.95 H new ATOM 0 HG22 THR A 436 -7.624 -5.964 -2.854 1.00 0.95 H new ATOM 0 HG23 THR A 436 -7.615 -6.862 -4.390 1.00 0.95 H new ATOM 136 N SER A 437 -7.615 -9.305 -0.133 1.00 0.67 N ATOM 137 CA SER A 437 -8.391 -10.172 0.782 1.00 0.67 C ATOM 138 C SER A 437 -9.930 -10.011 0.782 1.00 0.67 C ATOM 139 O SER A 437 -10.576 -10.975 1.193 1.00 0.67 O ATOM 140 CB SER A 437 -7.932 -10.113 2.261 1.00 0.67 C ATOM 141 OG SER A 437 -8.490 -11.114 3.120 1.00 0.67 O ATOM 0 H SER A 437 -7.117 -8.529 0.304 1.00 0.67 H new ATOM 0 HA SER A 437 -8.160 -11.139 0.335 1.00 0.67 H new ATOM 0 HB2 SER A 437 -6.846 -10.199 2.290 1.00 0.67 H new ATOM 0 HB3 SER A 437 -8.185 -9.132 2.663 1.00 0.67 H new ATOM 0 HG SER A 437 -9.322 -11.454 2.729 1.00 0.67 H new ATOM 147 N GLY A 438 -10.573 -8.845 0.416 1.00 0.59 N ATOM 148 CA GLY A 438 -12.035 -8.757 0.551 1.00 0.59 C ATOM 149 C GLY A 438 -12.319 -7.582 1.393 1.00 0.59 C ATOM 150 O GLY A 438 -12.575 -6.506 0.872 1.00 0.59 O ATOM 0 H GLY A 438 -10.114 -8.011 0.049 1.00 0.59 H new ATOM 0 HA2 GLY A 438 -12.507 -8.655 -0.426 1.00 0.59 H new ATOM 0 HA3 GLY A 438 -12.436 -9.663 1.005 1.00 0.59 H new ATOM 154 N ARG A 439 -12.176 -7.716 2.744 1.00 0.60 N ATOM 155 CA ARG A 439 -12.215 -6.646 3.749 1.00 0.60 C ATOM 156 C ARG A 439 -11.124 -5.554 3.635 1.00 0.60 C ATOM 157 O ARG A 439 -11.044 -4.664 4.457 1.00 0.60 O ATOM 158 CB ARG A 439 -12.587 -7.160 5.163 1.00 0.60 C ATOM 159 CG ARG A 439 -11.440 -7.440 6.147 1.00 0.60 C ATOM 160 CD ARG A 439 -10.484 -8.570 5.729 1.00 0.60 C ATOM 161 NE ARG A 439 -9.369 -8.665 6.740 1.00 0.60 N ATOM 162 CZ ARG A 439 -9.489 -9.291 7.954 1.00 0.60 C ATOM 163 NH1 ARG A 439 -10.619 -9.981 8.286 1.00 0.60 N ATOM 164 NH2 ARG A 439 -8.462 -9.214 8.849 1.00 0.60 N ATOM 0 H ARG A 439 -12.023 -8.630 3.170 1.00 0.60 H new ATOM 0 HA ARG A 439 -13.071 -6.028 3.480 1.00 0.60 H new ATOM 0 HB2 ARG A 439 -13.251 -6.428 5.622 1.00 0.60 H new ATOM 0 HB3 ARG A 439 -13.160 -8.080 5.045 1.00 0.60 H new ATOM 0 HG2 ARG A 439 -10.862 -6.525 6.277 1.00 0.60 H new ATOM 0 HG3 ARG A 439 -11.868 -7.687 7.119 1.00 0.60 H new ATOM 0 HD2 ARG A 439 -11.022 -9.516 5.671 1.00 0.60 H new ATOM 0 HD3 ARG A 439 -10.078 -8.372 4.737 1.00 0.60 H new ATOM 0 HE ARG A 439 -8.472 -8.238 6.507 1.00 0.60 H new ATOM 0 HH11 ARG A 439 -11.394 -10.038 7.626 1.00 0.60 H new ATOM 0 HH12 ARG A 439 -10.688 -10.440 9.194 1.00 0.60 H new ATOM 0 HH21 ARG A 439 -7.617 -8.695 8.612 1.00 0.60 H new ATOM 0 HH22 ARG A 439 -8.540 -9.676 9.755 1.00 0.60 H new ATOM 178 N VAL A 440 -10.305 -5.577 2.541 1.00 0.36 N ATOM 179 CA VAL A 440 -9.395 -4.565 2.073 1.00 0.36 C ATOM 180 C VAL A 440 -9.362 -4.806 0.575 1.00 0.36 C ATOM 181 O VAL A 440 -9.250 -5.957 0.137 1.00 0.36 O ATOM 182 CB VAL A 440 -7.953 -4.545 2.599 1.00 0.36 C ATOM 183 CG1 VAL A 440 -7.410 -3.128 2.353 1.00 0.36 C ATOM 184 CG2 VAL A 440 -7.925 -4.811 4.116 1.00 0.36 C ATOM 0 H VAL A 440 -10.288 -6.394 1.930 1.00 0.36 H new ATOM 0 HA VAL A 440 -9.767 -3.606 2.434 1.00 0.36 H new ATOM 0 HB VAL A 440 -7.362 -5.311 2.097 1.00 0.36 H new ATOM 0 HG11 VAL A 440 -6.383 -3.065 2.712 1.00 0.36 H new ATOM 0 HG12 VAL A 440 -7.435 -2.909 1.286 1.00 0.36 H new ATOM 0 HG13 VAL A 440 -8.026 -2.404 2.887 1.00 0.36 H new ATOM 0 HG21 VAL A 440 -6.894 -4.793 4.470 1.00 0.36 H new ATOM 0 HG22 VAL A 440 -8.499 -4.041 4.631 1.00 0.36 H new ATOM 0 HG23 VAL A 440 -8.362 -5.788 4.322 1.00 0.36 H new ATOM 194 N ALA A 441 -9.383 -3.730 -0.234 1.00 0.28 N ATOM 195 CA ALA A 441 -9.095 -3.782 -1.651 1.00 0.28 C ATOM 196 C ALA A 441 -8.054 -2.747 -1.955 1.00 0.28 C ATOM 197 O ALA A 441 -8.054 -1.671 -1.351 1.00 0.28 O ATOM 198 CB ALA A 441 -10.315 -3.458 -2.560 1.00 0.28 C ATOM 0 H ALA A 441 -9.606 -2.792 0.099 1.00 0.28 H new ATOM 0 HA ALA A 441 -8.779 -4.804 -1.861 1.00 0.28 H new ATOM 0 HB1 ALA A 441 -10.015 -3.518 -3.606 1.00 0.28 H new ATOM 0 HB2 ALA A 441 -11.112 -4.176 -2.369 1.00 0.28 H new ATOM 0 HB3 ALA A 441 -10.673 -2.452 -2.343 1.00 0.28 H new ATOM 204 N VAL A 442 -7.206 -3.026 -2.993 1.00 0.46 N ATOM 205 CA VAL A 442 -6.315 -2.025 -3.574 1.00 0.46 C ATOM 206 C VAL A 442 -7.133 -1.393 -4.695 1.00 0.46 C ATOM 207 O VAL A 442 -7.228 -1.915 -5.803 1.00 0.46 O ATOM 208 CB VAL A 442 -4.965 -2.536 -4.042 1.00 0.46 C ATOM 209 CG1 VAL A 442 -4.040 -1.331 -4.165 1.00 0.46 C ATOM 210 CG2 VAL A 442 -4.298 -3.425 -2.990 1.00 0.46 C ATOM 0 H VAL A 442 -7.137 -3.945 -3.430 1.00 0.46 H new ATOM 0 HA VAL A 442 -6.012 -1.308 -2.811 1.00 0.46 H new ATOM 0 HB VAL A 442 -5.120 -3.089 -4.968 1.00 0.46 H new ATOM 0 HG11 VAL A 442 -3.056 -1.660 -4.500 1.00 0.46 H new ATOM 0 HG12 VAL A 442 -4.453 -0.627 -4.888 1.00 0.46 H new ATOM 0 HG13 VAL A 442 -3.948 -0.843 -3.195 1.00 0.46 H new ATOM 0 HG21 VAL A 442 -3.334 -3.770 -3.364 1.00 0.46 H new ATOM 0 HG22 VAL A 442 -4.149 -2.854 -2.073 1.00 0.46 H new ATOM 0 HG23 VAL A 442 -4.936 -4.284 -2.783 1.00 0.46 H new ATOM 220 N GLU A 443 -7.824 -0.273 -4.343 1.00 0.54 N ATOM 221 CA GLU A 443 -8.858 0.378 -5.141 1.00 0.54 C ATOM 222 C GLU A 443 -8.300 1.150 -6.324 1.00 0.54 C ATOM 223 O GLU A 443 -8.660 0.936 -7.480 1.00 0.54 O ATOM 224 CB GLU A 443 -9.683 1.328 -4.229 1.00 0.54 C ATOM 225 CG GLU A 443 -10.992 1.884 -4.838 1.00 0.54 C ATOM 226 CD GLU A 443 -10.773 3.206 -5.581 1.00 0.54 C ATOM 227 OE1 GLU A 443 -10.258 4.165 -4.947 1.00 0.54 O ATOM 228 OE2 GLU A 443 -11.121 3.272 -6.790 1.00 0.54 O ATOM 0 H GLU A 443 -7.656 0.206 -3.458 1.00 0.54 H new ATOM 0 HA GLU A 443 -9.493 -0.406 -5.554 1.00 0.54 H new ATOM 0 HB2 GLU A 443 -9.930 0.794 -3.311 1.00 0.54 H new ATOM 0 HB3 GLU A 443 -9.050 2.170 -3.948 1.00 0.54 H new ATOM 0 HG2 GLU A 443 -11.411 1.149 -5.525 1.00 0.54 H new ATOM 0 HG3 GLU A 443 -11.725 2.033 -4.045 1.00 0.54 H new ATOM 235 N GLU A 444 -7.361 2.069 -6.001 1.00 0.53 N ATOM 236 CA GLU A 444 -6.642 2.834 -6.990 1.00 0.53 C ATOM 237 C GLU A 444 -5.194 2.898 -6.657 1.00 0.53 C ATOM 238 O GLU A 444 -4.731 3.677 -5.839 1.00 0.53 O ATOM 239 CB GLU A 444 -7.302 4.210 -7.260 1.00 0.53 C ATOM 240 CG GLU A 444 -6.687 5.012 -8.425 1.00 0.53 C ATOM 241 CD GLU A 444 -7.421 6.337 -8.640 1.00 0.53 C ATOM 242 OE1 GLU A 444 -8.442 6.592 -7.949 1.00 0.53 O ATOM 243 OE2 GLU A 444 -6.955 7.121 -9.513 1.00 0.53 O ATOM 0 H GLU A 444 -7.096 2.285 -5.040 1.00 0.53 H new ATOM 0 HA GLU A 444 -6.706 2.314 -7.946 1.00 0.53 H new ATOM 0 HB2 GLU A 444 -8.361 4.054 -7.466 1.00 0.53 H new ATOM 0 HB3 GLU A 444 -7.239 4.810 -6.352 1.00 0.53 H new ATOM 0 HG2 GLU A 444 -5.635 5.207 -8.219 1.00 0.53 H new ATOM 0 HG3 GLU A 444 -6.728 4.419 -9.339 1.00 0.53 H new ATOM 250 N VAL A 445 -4.392 2.085 -7.385 1.00 0.50 N ATOM 251 CA VAL A 445 -2.956 2.015 -7.268 1.00 0.50 C ATOM 252 C VAL A 445 -2.396 2.853 -8.392 1.00 0.50 C ATOM 253 O VAL A 445 -2.628 2.607 -9.578 1.00 0.50 O ATOM 254 CB VAL A 445 -2.392 0.602 -7.223 1.00 0.50 C ATOM 255 CG1 VAL A 445 -1.763 0.472 -5.827 1.00 0.50 C ATOM 256 CG2 VAL A 445 -3.475 -0.467 -7.499 1.00 0.50 C ATOM 0 H VAL A 445 -4.762 1.446 -8.089 1.00 0.50 H new ATOM 0 HA VAL A 445 -2.647 2.410 -6.300 1.00 0.50 H new ATOM 0 HB VAL A 445 -1.653 0.432 -8.006 1.00 0.50 H new ATOM 0 HG11 VAL A 445 -1.332 -0.523 -5.713 1.00 0.50 H new ATOM 0 HG12 VAL A 445 -0.981 1.222 -5.709 1.00 0.50 H new ATOM 0 HG13 VAL A 445 -2.529 0.624 -5.067 1.00 0.50 H new ATOM 0 HG21 VAL A 445 -3.026 -1.459 -7.457 1.00 0.50 H new ATOM 0 HG22 VAL A 445 -4.261 -0.392 -6.747 1.00 0.50 H new ATOM 0 HG23 VAL A 445 -3.903 -0.304 -8.488 1.00 0.50 H new ATOM 266 N ASP A 446 -1.670 3.918 -8.001 1.00 0.41 N ATOM 267 CA ASP A 446 -1.172 4.963 -8.848 1.00 0.41 C ATOM 268 C ASP A 446 0.331 4.815 -9.033 1.00 0.41 C ATOM 269 O ASP A 446 1.094 5.097 -8.102 1.00 0.41 O ATOM 270 CB ASP A 446 -1.588 6.288 -8.138 1.00 0.41 C ATOM 271 CG ASP A 446 -2.835 6.894 -8.794 1.00 0.41 C ATOM 272 OD1 ASP A 446 -2.764 7.228 -10.006 1.00 0.41 O ATOM 273 OD2 ASP A 446 -3.865 7.046 -8.085 1.00 0.41 O ATOM 0 H ASP A 446 -1.413 4.059 -7.024 1.00 0.41 H new ATOM 0 HA ASP A 446 -1.581 4.937 -9.858 1.00 0.41 H new ATOM 0 HB2 ASP A 446 -1.785 6.094 -7.084 1.00 0.41 H new ATOM 0 HB3 ASP A 446 -0.766 7.002 -8.182 1.00 0.41 H new ATOM 337 N PHE A 451 0.762 6.971 -5.398 1.00 0.31 N ATOM 338 CA PHE A 451 -0.001 6.619 -4.199 1.00 0.31 C ATOM 339 C PHE A 451 -0.542 5.238 -4.291 1.00 0.31 C ATOM 340 O PHE A 451 -0.756 4.669 -5.359 1.00 0.31 O ATOM 341 CB PHE A 451 -1.201 7.525 -3.680 1.00 0.31 C ATOM 342 CG PHE A 451 -1.287 8.819 -4.395 1.00 0.31 C ATOM 343 CD1 PHE A 451 -1.934 8.867 -5.634 1.00 0.31 C ATOM 344 CD2 PHE A 451 -0.629 9.950 -3.899 1.00 0.31 C ATOM 345 CE1 PHE A 451 -1.791 10.000 -6.447 1.00 0.31 C ATOM 346 CE2 PHE A 451 -0.499 11.085 -4.700 1.00 0.31 C ATOM 347 CZ PHE A 451 -1.047 11.100 -5.986 1.00 0.31 C ATOM 0 HA PHE A 451 0.789 6.777 -3.465 1.00 0.31 H new ATOM 0 HB2 PHE A 451 -2.139 6.984 -3.802 1.00 0.31 H new ATOM 0 HB3 PHE A 451 -1.076 7.711 -2.613 1.00 0.31 H new ATOM 0 HD1 PHE A 451 -2.540 8.036 -5.963 1.00 0.31 H new ATOM 0 HD2 PHE A 451 -0.223 9.944 -2.898 1.00 0.31 H new ATOM 0 HE1 PHE A 451 -2.251 10.028 -7.424 1.00 0.31 H new ATOM 0 HE2 PHE A 451 0.025 11.952 -4.326 1.00 0.31 H new ATOM 0 HZ PHE A 451 -0.899 11.957 -6.626 1.00 0.31 H new ATOM 357 N VAL A 452 -0.877 4.713 -3.089 1.00 0.26 N ATOM 358 CA VAL A 452 -1.636 3.504 -2.941 1.00 0.26 C ATOM 359 C VAL A 452 -2.948 3.949 -2.319 1.00 0.26 C ATOM 360 O VAL A 452 -3.008 4.243 -1.113 1.00 0.26 O ATOM 361 CB VAL A 452 -0.851 2.582 -2.016 1.00 0.26 C ATOM 362 CG1 VAL A 452 -1.663 1.437 -1.401 1.00 0.26 C ATOM 363 CG2 VAL A 452 0.283 1.940 -2.821 1.00 0.26 C ATOM 0 H VAL A 452 -0.613 5.141 -2.202 1.00 0.26 H new ATOM 0 HA VAL A 452 -1.819 2.964 -3.870 1.00 0.26 H new ATOM 0 HB VAL A 452 -0.509 3.212 -1.195 1.00 0.26 H new ATOM 0 HG11 VAL A 452 -1.018 0.837 -0.759 1.00 0.26 H new ATOM 0 HG12 VAL A 452 -2.482 1.848 -0.810 1.00 0.26 H new ATOM 0 HG13 VAL A 452 -2.068 0.810 -2.196 1.00 0.26 H new ATOM 0 HG21 VAL A 452 0.857 1.276 -2.175 1.00 0.26 H new ATOM 0 HG22 VAL A 452 -0.137 1.368 -3.648 1.00 0.26 H new ATOM 0 HG23 VAL A 452 0.937 2.719 -3.213 1.00 0.26 H new ATOM 373 N ARG A 453 -4.065 3.952 -3.117 1.00 0.58 N ATOM 374 CA ARG A 453 -5.397 4.224 -2.521 1.00 0.58 C ATOM 375 C ARG A 453 -6.103 2.920 -2.071 1.00 0.58 C ATOM 376 O ARG A 453 -6.430 2.051 -2.899 1.00 0.58 O ATOM 377 CB ARG A 453 -6.302 5.092 -3.438 1.00 0.58 C ATOM 378 CG ARG A 453 -5.588 6.368 -3.928 1.00 0.58 C ATOM 379 CD ARG A 453 -6.493 7.315 -4.727 1.00 0.58 C ATOM 380 NE ARG A 453 -5.634 8.408 -5.302 1.00 0.58 N ATOM 381 CZ ARG A 453 -6.116 9.376 -6.142 1.00 0.58 C ATOM 382 NH1 ARG A 453 -7.440 9.423 -6.470 1.00 0.58 N ATOM 383 NH2 ARG A 453 -5.259 10.305 -6.659 1.00 0.58 N ATOM 0 H ARG A 453 -4.065 3.778 -4.122 1.00 0.58 H new ATOM 0 HA ARG A 453 -5.217 4.819 -1.626 1.00 0.58 H new ATOM 0 HB2 ARG A 453 -6.616 4.501 -4.298 1.00 0.58 H new ATOM 0 HB3 ARG A 453 -7.205 5.370 -2.895 1.00 0.58 H new ATOM 0 HG2 ARG A 453 -5.188 6.903 -3.067 1.00 0.58 H new ATOM 0 HG3 ARG A 453 -4.738 6.082 -4.548 1.00 0.58 H new ATOM 0 HD2 ARG A 453 -7.003 6.773 -5.523 1.00 0.58 H new ATOM 0 HD3 ARG A 453 -7.265 7.737 -4.084 1.00 0.58 H new ATOM 0 HE ARG A 453 -4.645 8.429 -5.054 1.00 0.58 H new ATOM 0 HH11 ARG A 453 -8.085 8.731 -6.088 1.00 0.58 H new ATOM 0 HH12 ARG A 453 -7.785 10.150 -7.097 1.00 0.58 H new ATOM 0 HH21 ARG A 453 -4.268 10.274 -6.419 1.00 0.58 H new ATOM 0 HH22 ARG A 453 -5.610 11.029 -7.286 1.00 0.58 H new ATOM 397 N LEU A 454 -6.325 2.764 -0.714 1.00 0.66 N ATOM 398 CA LEU A 454 -6.900 1.596 -0.068 1.00 0.66 C ATOM 399 C LEU A 454 -8.288 1.887 0.476 1.00 0.66 C ATOM 400 O LEU A 454 -8.563 2.866 1.161 1.00 0.66 O ATOM 401 CB LEU A 454 -5.962 1.125 1.110 1.00 0.66 C ATOM 402 CG LEU A 454 -4.731 0.267 0.699 1.00 0.66 C ATOM 403 CD1 LEU A 454 -3.997 -0.444 1.852 1.00 0.66 C ATOM 404 CD2 LEU A 454 -5.115 -0.786 -0.331 1.00 0.66 C ATOM 0 H LEU A 454 -6.087 3.497 -0.046 1.00 0.66 H new ATOM 0 HA LEU A 454 -6.986 0.807 -0.815 1.00 0.66 H new ATOM 0 HB2 LEU A 454 -5.604 2.008 1.639 1.00 0.66 H new ATOM 0 HB3 LEU A 454 -6.560 0.551 1.817 1.00 0.66 H new ATOM 0 HG LEU A 454 -4.038 1.002 0.289 1.00 0.66 H new ATOM 0 HD11 LEU A 454 -3.157 -1.013 1.453 1.00 0.66 H new ATOM 0 HD12 LEU A 454 -3.629 0.297 2.561 1.00 0.66 H new ATOM 0 HD13 LEU A 454 -4.685 -1.121 2.359 1.00 0.66 H new ATOM 0 HD21 LEU A 454 -4.235 -1.370 -0.599 1.00 0.66 H new ATOM 0 HD22 LEU A 454 -5.874 -1.446 0.089 1.00 0.66 H new ATOM 0 HD23 LEU A 454 -5.511 -0.297 -1.221 1.00 0.66 H new ATOM 416 N ARG A 455 -9.251 0.979 0.228 1.00 0.51 N ATOM 417 CA ARG A 455 -10.583 1.090 0.790 1.00 0.51 C ATOM 418 C ARG A 455 -10.804 -0.248 1.436 1.00 0.51 C ATOM 419 O ARG A 455 -10.329 -1.267 0.916 1.00 0.51 O ATOM 420 CB ARG A 455 -11.647 1.428 -0.287 1.00 0.51 C ATOM 421 CG ARG A 455 -11.384 2.790 -0.964 1.00 0.51 C ATOM 422 CD ARG A 455 -12.623 3.375 -1.650 1.00 0.51 C ATOM 423 NE ARG A 455 -12.227 4.684 -2.277 1.00 0.51 N ATOM 424 CZ ARG A 455 -13.110 5.501 -2.932 1.00 0.51 C ATOM 425 NH1 ARG A 455 -14.426 5.162 -3.045 1.00 0.51 N ATOM 426 NH2 ARG A 455 -12.663 6.670 -3.479 1.00 0.51 N ATOM 0 H ARG A 455 -9.116 0.160 -0.364 1.00 0.51 H new ATOM 0 HA ARG A 455 -10.677 1.909 1.503 1.00 0.51 H new ATOM 0 HB2 ARG A 455 -11.656 0.644 -1.044 1.00 0.51 H new ATOM 0 HB3 ARG A 455 -12.635 1.438 0.173 1.00 0.51 H new ATOM 0 HG2 ARG A 455 -11.024 3.496 -0.216 1.00 0.51 H new ATOM 0 HG3 ARG A 455 -10.590 2.674 -1.701 1.00 0.51 H new ATOM 0 HD2 ARG A 455 -13.001 2.688 -2.407 1.00 0.51 H new ATOM 0 HD3 ARG A 455 -13.425 3.525 -0.927 1.00 0.51 H new ATOM 0 HE ARG A 455 -11.252 4.978 -2.211 1.00 0.51 H new ATOM 0 HH11 ARG A 455 -14.765 4.290 -2.639 1.00 0.51 H new ATOM 0 HH12 ARG A 455 -15.072 5.781 -3.536 1.00 0.51 H new ATOM 0 HH21 ARG A 455 -11.679 6.928 -3.398 1.00 0.51 H new ATOM 0 HH22 ARG A 455 -13.313 7.285 -3.969 1.00 0.51 H new ATOM 440 N ASN A 456 -11.526 -0.312 2.592 1.00 0.49 N ATOM 441 CA ASN A 456 -11.746 -1.607 3.251 1.00 0.49 C ATOM 442 C ASN A 456 -13.032 -2.186 2.646 1.00 0.49 C ATOM 443 O ASN A 456 -14.112 -1.966 3.185 1.00 0.49 O ATOM 444 CB ASN A 456 -11.950 -1.311 4.751 1.00 0.49 C ATOM 445 CG ASN A 456 -11.830 -2.433 5.783 1.00 0.49 C ATOM 446 OD1 ASN A 456 -10.745 -2.637 6.307 1.00 0.49 O ATOM 447 ND2 ASN A 456 -12.918 -3.151 6.146 1.00 0.49 N ATOM 0 H ASN A 456 -11.945 0.491 3.061 1.00 0.49 H new ATOM 0 HA ASN A 456 -10.921 -2.307 3.120 1.00 0.49 H new ATOM 0 HB2 ASN A 456 -11.231 -0.540 5.028 1.00 0.49 H new ATOM 0 HB3 ASN A 456 -12.943 -0.876 4.862 1.00 0.49 H new ATOM 0 HD21 ASN A 456 -12.838 -3.871 6.864 1.00 0.49 H new ATOM 0 HD22 ASN A 456 -13.819 -2.972 5.702 1.00 0.49 H new ATOM 454 N LYS A 457 -12.914 -2.895 1.476 1.00 0.45 N ATOM 455 CA LYS A 457 -14.039 -3.292 0.613 1.00 0.45 C ATOM 456 C LYS A 457 -15.107 -4.201 1.194 1.00 0.45 C ATOM 457 O LYS A 457 -16.267 -3.802 1.208 1.00 0.45 O ATOM 458 CB LYS A 457 -13.555 -3.679 -0.813 1.00 0.45 C ATOM 459 CG LYS A 457 -14.543 -3.426 -1.972 1.00 0.45 C ATOM 460 CD LYS A 457 -15.548 -4.560 -2.242 1.00 0.45 C ATOM 461 CE LYS A 457 -16.357 -4.371 -3.534 1.00 0.45 C ATOM 462 NZ LYS A 457 -17.204 -3.156 -3.467 1.00 0.45 N ATOM 0 H LYS A 457 -12.011 -3.203 1.116 1.00 0.45 H new ATOM 0 HA LYS A 457 -14.627 -2.378 0.531 1.00 0.45 H new ATOM 0 HB2 LYS A 457 -12.637 -3.129 -1.022 1.00 0.45 H new ATOM 0 HB3 LYS A 457 -13.298 -4.738 -0.810 1.00 0.45 H new ATOM 0 HG2 LYS A 457 -15.100 -2.513 -1.760 1.00 0.45 H new ATOM 0 HG3 LYS A 457 -13.971 -3.246 -2.882 1.00 0.45 H new ATOM 0 HD2 LYS A 457 -15.009 -5.506 -2.296 1.00 0.45 H new ATOM 0 HD3 LYS A 457 -16.236 -4.632 -1.400 1.00 0.45 H new ATOM 0 HE2 LYS A 457 -15.678 -4.297 -4.383 1.00 0.45 H new ATOM 0 HE3 LYS A 457 -16.985 -5.246 -3.704 1.00 0.45 H new ATOM 0 HZ1 LYS A 457 -17.738 -3.056 -4.354 1.00 0.45 H new ATOM 0 HZ2 LYS A 457 -17.868 -3.239 -2.671 1.00 0.45 H new ATOM 0 HZ3 LYS A 457 -16.601 -2.320 -3.329 1.00 0.45 H new ATOM 476 N SER A 458 -14.773 -5.376 1.803 1.00 0.34 N ATOM 477 CA SER A 458 -15.830 -6.096 2.574 1.00 0.34 C ATOM 478 C SER A 458 -15.902 -5.574 4.002 1.00 0.34 C ATOM 479 O SER A 458 -15.123 -4.779 4.532 1.00 0.34 O ATOM 480 CB SER A 458 -15.808 -7.669 2.687 1.00 0.34 C ATOM 481 OG SER A 458 -17.044 -8.288 3.113 1.00 0.34 O ATOM 0 H SER A 458 -13.854 -5.818 1.782 1.00 0.34 H new ATOM 0 HA SER A 458 -16.692 -5.876 1.944 1.00 0.34 H new ATOM 0 HB2 SER A 458 -15.534 -8.080 1.715 1.00 0.34 H new ATOM 0 HB3 SER A 458 -15.022 -7.953 3.386 1.00 0.34 H new ATOM 0 HG SER A 458 -16.994 -8.493 4.070 1.00 0.34 H new ATOM 487 N ASN A 459 -17.034 -5.965 4.564 1.00 0.49 N ATOM 488 CA ASN A 459 -17.708 -5.415 5.693 1.00 0.49 C ATOM 489 C ASN A 459 -17.383 -5.901 7.094 1.00 0.49 C ATOM 490 O ASN A 459 -18.242 -6.031 7.967 1.00 0.49 O ATOM 491 CB ASN A 459 -19.195 -5.370 5.310 1.00 0.49 C ATOM 492 CG ASN A 459 -19.902 -6.716 5.225 1.00 0.49 C ATOM 493 OD1 ASN A 459 -20.043 -7.321 4.165 1.00 0.49 O ATOM 494 ND2 ASN A 459 -20.377 -7.146 6.418 1.00 0.49 N ATOM 0 H ASN A 459 -17.545 -6.763 4.187 1.00 0.49 H new ATOM 0 HA ASN A 459 -17.295 -4.421 5.867 1.00 0.49 H new ATOM 0 HB2 ASN A 459 -19.719 -4.752 6.039 1.00 0.49 H new ATOM 0 HB3 ASN A 459 -19.287 -4.872 4.345 1.00 0.49 H new ATOM 0 HD21 ASN A 459 -20.890 -8.026 6.476 1.00 0.49 H new ATOM 0 HD22 ASN A 459 -20.222 -6.590 7.259 1.00 0.49 H new ATOM 501 N GLU A 460 -16.083 -6.090 7.337 1.00 0.74 N ATOM 502 CA GLU A 460 -15.536 -6.409 8.625 1.00 0.74 C ATOM 503 C GLU A 460 -14.541 -5.316 8.925 1.00 0.74 C ATOM 504 O GLU A 460 -13.574 -5.141 8.185 1.00 0.74 O ATOM 505 CB GLU A 460 -14.839 -7.788 8.645 1.00 0.74 C ATOM 506 CG GLU A 460 -15.771 -8.958 8.285 1.00 0.74 C ATOM 507 CD GLU A 460 -14.979 -10.265 8.309 1.00 0.74 C ATOM 508 OE1 GLU A 460 -14.029 -10.396 7.491 1.00 0.74 O ATOM 509 OE2 GLU A 460 -15.313 -11.149 9.143 1.00 0.74 O ATOM 0 H GLU A 460 -15.373 -6.019 6.608 1.00 0.74 H new ATOM 0 HA GLU A 460 -16.329 -6.468 9.370 1.00 0.74 H new ATOM 0 HB2 GLU A 460 -14.003 -7.773 7.946 1.00 0.74 H new ATOM 0 HB3 GLU A 460 -14.422 -7.960 9.637 1.00 0.74 H new ATOM 0 HG2 GLU A 460 -16.599 -9.009 8.992 1.00 0.74 H new ATOM 0 HG3 GLU A 460 -16.205 -8.801 7.297 1.00 0.74 H new ATOM 516 N ASP A 461 -14.738 -4.571 10.055 1.00 0.65 N ATOM 517 CA ASP A 461 -13.867 -3.556 10.664 1.00 0.65 C ATOM 518 C ASP A 461 -12.465 -4.093 10.956 1.00 0.65 C ATOM 519 O ASP A 461 -12.237 -4.859 11.886 1.00 0.65 O ATOM 520 CB ASP A 461 -14.437 -2.972 11.995 1.00 0.65 C ATOM 521 CG ASP A 461 -15.927 -2.631 11.869 1.00 0.65 C ATOM 522 OD1 ASP A 461 -16.265 -1.677 11.122 1.00 0.65 O ATOM 523 OD2 ASP A 461 -16.747 -3.324 12.530 1.00 0.65 O ATOM 0 H ASP A 461 -15.592 -4.688 10.600 1.00 0.65 H new ATOM 0 HA ASP A 461 -13.818 -2.763 9.917 1.00 0.65 H new ATOM 0 HB2 ASP A 461 -14.295 -3.693 12.800 1.00 0.65 H new ATOM 0 HB3 ASP A 461 -13.880 -2.076 12.268 1.00 0.65 H new ATOM 528 N GLN A 462 -11.519 -3.713 10.081 1.00 0.44 N ATOM 529 CA GLN A 462 -10.133 -4.188 10.078 1.00 0.44 C ATOM 530 C GLN A 462 -9.191 -3.321 10.911 1.00 0.44 C ATOM 531 O GLN A 462 -9.058 -2.130 10.687 1.00 0.44 O ATOM 532 CB GLN A 462 -9.720 -4.387 8.603 1.00 0.44 C ATOM 533 CG GLN A 462 -8.452 -5.217 8.284 1.00 0.44 C ATOM 534 CD GLN A 462 -7.152 -4.405 8.243 1.00 0.44 C ATOM 535 OE1 GLN A 462 -6.073 -4.966 8.032 1.00 0.44 O ATOM 536 NE2 GLN A 462 -7.287 -3.068 8.457 1.00 0.44 N ATOM 0 H GLN A 462 -11.708 -3.045 9.334 1.00 0.44 H new ATOM 0 HA GLN A 462 -10.055 -5.147 10.590 1.00 0.44 H new ATOM 0 HB2 GLN A 462 -10.558 -4.855 8.087 1.00 0.44 H new ATOM 0 HB3 GLN A 462 -9.586 -3.399 8.163 1.00 0.44 H new ATOM 0 HG2 GLN A 462 -8.351 -6.003 9.032 1.00 0.44 H new ATOM 0 HG3 GLN A 462 -8.588 -5.709 7.321 1.00 0.44 H new ATOM 0 HE21 GLN A 462 -8.211 -2.669 8.626 1.00 0.44 H new ATOM 0 HE22 GLN A 462 -6.465 -2.465 8.449 1.00 0.44 H new ATOM 545 N SER A 463 -8.465 -3.872 11.909 1.00 0.49 N ATOM 546 CA SER A 463 -7.581 -3.113 12.822 1.00 0.49 C ATOM 547 C SER A 463 -6.192 -2.657 12.355 1.00 0.49 C ATOM 548 O SER A 463 -5.184 -3.323 12.589 1.00 0.49 O ATOM 549 CB SER A 463 -7.545 -3.766 14.219 1.00 0.49 C ATOM 550 OG SER A 463 -8.889 -3.920 14.691 1.00 0.49 O ATOM 0 H SER A 463 -8.477 -4.873 12.106 1.00 0.49 H new ATOM 0 HA SER A 463 -8.082 -2.145 12.845 1.00 0.49 H new ATOM 0 HB2 SER A 463 -7.049 -4.735 14.170 1.00 0.49 H new ATOM 0 HB3 SER A 463 -6.971 -3.148 14.910 1.00 0.49 H new ATOM 0 HG SER A 463 -9.252 -3.043 14.935 1.00 0.49 H new ATOM 556 N MET A 464 -6.075 -1.439 11.723 1.00 0.50 N ATOM 557 CA MET A 464 -4.796 -0.882 11.209 1.00 0.50 C ATOM 558 C MET A 464 -3.782 -0.352 12.217 1.00 0.50 C ATOM 559 O MET A 464 -2.824 0.334 11.861 1.00 0.50 O ATOM 560 CB MET A 464 -4.865 0.177 10.071 1.00 0.50 C ATOM 561 CG MET A 464 -5.981 -0.011 9.052 1.00 0.50 C ATOM 562 SD MET A 464 -6.199 1.366 7.877 1.00 0.50 S ATOM 563 CE MET A 464 -4.578 2.157 7.883 1.00 0.50 C ATOM 0 H MET A 464 -6.873 -0.825 11.562 1.00 0.50 H new ATOM 0 HA MET A 464 -4.447 -1.834 10.808 1.00 0.50 H new ATOM 0 HB2 MET A 464 -4.976 1.162 10.524 1.00 0.50 H new ATOM 0 HB3 MET A 464 -3.912 0.175 9.542 1.00 0.50 H new ATOM 0 HG2 MET A 464 -5.786 -0.922 8.487 1.00 0.50 H new ATOM 0 HG3 MET A 464 -6.918 -0.163 9.587 1.00 0.50 H new ATOM 0 HE1 MET A 464 -4.436 2.702 6.950 1.00 0.50 H new ATOM 0 HE2 MET A 464 -4.515 2.851 8.722 1.00 0.50 H new ATOM 0 HE3 MET A 464 -3.803 1.397 7.981 1.00 0.50 H new ATOM 573 N GLY A 465 -3.914 -0.748 13.503 1.00 0.39 N ATOM 574 CA GLY A 465 -2.859 -0.580 14.497 1.00 0.39 C ATOM 575 C GLY A 465 -1.734 -1.591 14.363 1.00 0.39 C ATOM 576 O GLY A 465 -0.568 -1.309 14.610 1.00 0.39 O ATOM 0 H GLY A 465 -4.757 -1.191 13.869 1.00 0.39 H new ATOM 0 HA2 GLY A 465 -2.446 0.425 14.410 1.00 0.39 H new ATOM 0 HA3 GLY A 465 -3.293 -0.661 15.493 1.00 0.39 H new ATOM 580 N ASN A 466 -2.078 -2.821 13.931 1.00 0.33 N ATOM 581 CA ASN A 466 -1.178 -3.958 13.768 1.00 0.33 C ATOM 582 C ASN A 466 -0.621 -4.142 12.353 1.00 0.33 C ATOM 583 O ASN A 466 -0.120 -5.220 12.034 1.00 0.33 O ATOM 584 CB ASN A 466 -1.790 -5.264 14.318 1.00 0.33 C ATOM 585 CG ASN A 466 -2.424 -5.055 15.694 1.00 0.33 C ATOM 586 OD1 ASN A 466 -3.651 -5.076 15.817 1.00 0.33 O ATOM 587 ND2 ASN A 466 -1.595 -4.836 16.742 1.00 0.33 N ATOM 0 H ASN A 466 -3.039 -3.049 13.677 1.00 0.33 H new ATOM 0 HA ASN A 466 -0.309 -3.708 14.377 1.00 0.33 H new ATOM 0 HB2 ASN A 466 -2.543 -5.634 13.623 1.00 0.33 H new ATOM 0 HB3 ASN A 466 -1.016 -6.028 14.386 1.00 0.33 H new ATOM 0 HD21 ASN A 466 -1.981 -4.681 17.674 1.00 0.33 H new ATOM 0 HD22 ASN A 466 -0.585 -4.826 16.600 1.00 0.33 H new ATOM 594 N TRP A 467 -0.715 -3.098 11.463 1.00 0.32 N ATOM 595 CA TRP A 467 -0.239 -3.110 10.076 1.00 0.32 C ATOM 596 C TRP A 467 1.258 -2.981 9.910 1.00 0.32 C ATOM 597 O TRP A 467 1.998 -2.406 10.715 1.00 0.32 O ATOM 598 CB TRP A 467 -0.867 -1.932 9.253 1.00 0.32 C ATOM 599 CG TRP A 467 -2.227 -2.196 8.715 1.00 0.32 C ATOM 600 CD1 TRP A 467 -3.076 -3.168 9.135 1.00 0.32 C ATOM 601 CD2 TRP A 467 -2.855 -1.544 7.588 1.00 0.32 C ATOM 602 NE1 TRP A 467 -4.180 -3.190 8.351 1.00 0.32 N ATOM 603 CE2 TRP A 467 -4.070 -2.215 7.385 1.00 0.32 C ATOM 604 CE3 TRP A 467 -2.451 -0.513 6.724 1.00 0.32 C ATOM 605 CZ2 TRP A 467 -4.901 -1.879 6.331 1.00 0.32 C ATOM 606 CZ3 TRP A 467 -3.318 -0.109 5.692 1.00 0.32 C ATOM 607 CH2 TRP A 467 -4.503 -0.827 5.499 1.00 0.32 C ATOM 0 H TRP A 467 -1.141 -2.208 11.721 1.00 0.32 H new ATOM 0 HA TRP A 467 -0.547 -4.091 9.715 1.00 0.32 H new ATOM 0 HB2 TRP A 467 -0.910 -1.047 9.888 1.00 0.32 H new ATOM 0 HB3 TRP A 467 -0.203 -1.696 8.421 1.00 0.32 H new ATOM 0 HD1 TRP A 467 -2.897 -3.827 9.972 1.00 0.32 H new ATOM 0 HE1 TRP A 467 -4.968 -3.828 8.459 1.00 0.32 H new ATOM 0 HE3 TRP A 467 -1.489 -0.038 6.850 1.00 0.32 H new ATOM 0 HZ2 TRP A 467 -5.825 -2.410 6.157 1.00 0.32 H new ATOM 0 HZ3 TRP A 467 -3.074 0.735 5.064 1.00 0.32 H new ATOM 0 HH2 TRP A 467 -5.140 -0.557 4.670 1.00 0.32 H new ATOM 618 N GLN A 468 1.686 -3.485 8.739 1.00 0.53 N ATOM 619 CA GLN A 468 3.024 -3.294 8.203 1.00 0.53 C ATOM 620 C GLN A 468 2.742 -3.254 6.718 1.00 0.53 C ATOM 621 O GLN A 468 2.031 -4.091 6.168 1.00 0.53 O ATOM 622 CB GLN A 468 4.205 -4.267 8.589 1.00 0.53 C ATOM 623 CG GLN A 468 4.301 -4.667 10.080 1.00 0.53 C ATOM 624 CD GLN A 468 5.571 -5.485 10.367 1.00 0.53 C ATOM 625 OE1 GLN A 468 6.649 -5.227 9.830 1.00 0.53 O ATOM 626 NE2 GLN A 468 5.434 -6.480 11.278 1.00 0.53 N ATOM 0 H GLN A 468 1.089 -4.048 8.133 1.00 0.53 H new ATOM 0 HA GLN A 468 3.465 -2.406 8.657 1.00 0.53 H new ATOM 0 HB2 GLN A 468 4.107 -5.176 7.996 1.00 0.53 H new ATOM 0 HB3 GLN A 468 5.145 -3.797 8.299 1.00 0.53 H new ATOM 0 HG2 GLN A 468 4.298 -3.770 10.699 1.00 0.53 H new ATOM 0 HG3 GLN A 468 3.422 -5.249 10.358 1.00 0.53 H new ATOM 0 HE21 GLN A 468 4.524 -6.663 11.701 1.00 0.53 H new ATOM 0 HE22 GLN A 468 6.241 -7.046 11.541 1.00 0.53 H new ATOM 635 N ILE A 469 3.301 -2.241 6.036 1.00 0.85 N ATOM 636 CA ILE A 469 3.236 -1.948 4.616 1.00 0.85 C ATOM 637 C ILE A 469 4.648 -2.362 4.198 1.00 0.85 C ATOM 638 O ILE A 469 5.595 -1.896 4.820 1.00 0.85 O ATOM 639 CB ILE A 469 3.080 -0.427 4.477 1.00 0.85 C ATOM 640 CG1 ILE A 469 1.718 0.095 4.968 1.00 0.85 C ATOM 641 CG2 ILE A 469 3.347 0.061 3.047 1.00 0.85 C ATOM 642 CD1 ILE A 469 0.578 -0.325 4.061 1.00 0.85 C ATOM 0 H ILE A 469 3.863 -1.544 6.525 1.00 0.85 H new ATOM 0 HA ILE A 469 2.437 -2.426 4.049 1.00 0.85 H new ATOM 0 HB ILE A 469 3.844 -0.009 5.132 1.00 0.85 H new ATOM 0 HG12 ILE A 469 1.532 -0.275 5.976 1.00 0.85 H new ATOM 0 HG13 ILE A 469 1.749 1.183 5.028 1.00 0.85 H new ATOM 0 HG21 ILE A 469 3.223 1.143 3.003 1.00 0.85 H new ATOM 0 HG22 ILE A 469 4.365 -0.200 2.758 1.00 0.85 H new ATOM 0 HG23 ILE A 469 2.643 -0.413 2.363 1.00 0.85 H new ATOM 0 HD11 ILE A 469 -0.361 0.068 4.451 1.00 0.85 H new ATOM 0 HD12 ILE A 469 0.747 0.067 3.058 1.00 0.85 H new ATOM 0 HD13 ILE A 469 0.527 -1.413 4.021 1.00 0.85 H new ATOM 654 N LYS A 470 4.895 -3.229 3.198 1.00 1.07 N ATOM 655 CA LYS A 470 6.264 -3.656 2.898 1.00 1.07 C ATOM 656 C LYS A 470 6.448 -3.546 1.398 1.00 1.07 C ATOM 657 O LYS A 470 5.479 -3.667 0.644 1.00 1.07 O ATOM 658 CB LYS A 470 6.583 -5.056 3.465 1.00 1.07 C ATOM 659 CG LYS A 470 5.629 -6.213 3.148 1.00 1.07 C ATOM 660 CD LYS A 470 6.083 -7.507 3.853 1.00 1.07 C ATOM 661 CE LYS A 470 6.274 -7.376 5.376 1.00 1.07 C ATOM 662 NZ LYS A 470 6.386 -8.705 6.021 1.00 1.07 N ATOM 0 H LYS A 470 4.178 -3.637 2.599 1.00 1.07 H new ATOM 0 HA LYS A 470 6.986 -3.009 3.396 1.00 1.07 H new ATOM 0 HB2 LYS A 470 7.574 -5.338 3.110 1.00 1.07 H new ATOM 0 HB3 LYS A 470 6.646 -4.967 4.550 1.00 1.07 H new ATOM 0 HG2 LYS A 470 4.619 -5.955 3.467 1.00 1.07 H new ATOM 0 HG3 LYS A 470 5.592 -6.375 2.071 1.00 1.07 H new ATOM 0 HD2 LYS A 470 5.348 -8.288 3.658 1.00 1.07 H new ATOM 0 HD3 LYS A 470 7.023 -7.836 3.409 1.00 1.07 H new ATOM 0 HE2 LYS A 470 7.171 -6.792 5.583 1.00 1.07 H new ATOM 0 HE3 LYS A 470 5.433 -6.831 5.805 1.00 1.07 H new ATOM 0 HZ1 LYS A 470 6.514 -8.584 7.046 1.00 1.07 H new ATOM 0 HZ2 LYS A 470 5.519 -9.252 5.842 1.00 1.07 H new ATOM 0 HZ3 LYS A 470 7.203 -9.214 5.628 1.00 1.07 H new ATOM 676 N ARG A 471 7.693 -3.304 0.916 1.00 1.08 N ATOM 677 CA ARG A 471 8.008 -3.176 -0.500 1.00 1.08 C ATOM 678 C ARG A 471 9.383 -3.733 -0.831 1.00 1.08 C ATOM 679 O ARG A 471 10.333 -3.595 -0.055 1.00 1.08 O ATOM 680 CB ARG A 471 8.118 -1.696 -0.969 1.00 1.08 C ATOM 681 CG ARG A 471 6.807 -0.917 -0.906 1.00 1.08 C ATOM 682 CD ARG A 471 6.950 0.445 -1.600 1.00 1.08 C ATOM 683 NE ARG A 471 7.962 1.293 -0.872 1.00 1.08 N ATOM 684 CZ ARG A 471 7.702 1.981 0.285 1.00 1.08 C ATOM 685 NH1 ARG A 471 6.457 1.993 0.842 1.00 1.08 N ATOM 686 NH2 ARG A 471 8.715 2.669 0.887 1.00 1.08 N ATOM 0 H ARG A 471 8.506 -3.193 1.521 1.00 1.08 H new ATOM 0 HA ARG A 471 7.192 -3.710 -0.987 1.00 1.08 H new ATOM 0 HB2 ARG A 471 8.860 -1.186 -0.354 1.00 1.08 H new ATOM 0 HB3 ARG A 471 8.488 -1.679 -1.994 1.00 1.08 H new ATOM 0 HG2 ARG A 471 6.013 -1.492 -1.383 1.00 1.08 H new ATOM 0 HG3 ARG A 471 6.514 -0.772 0.134 1.00 1.08 H new ATOM 0 HD2 ARG A 471 7.260 0.304 -2.635 1.00 1.08 H new ATOM 0 HD3 ARG A 471 5.986 0.954 -1.622 1.00 1.08 H new ATOM 0 HE ARG A 471 8.901 1.359 -1.266 1.00 1.08 H new ATOM 0 HH11 ARG A 471 5.694 1.482 0.397 1.00 1.08 H new ATOM 0 HH12 ARG A 471 6.289 2.512 1.704 1.00 1.08 H new ATOM 0 HH21 ARG A 471 9.648 2.666 0.476 1.00 1.08 H new ATOM 0 HH22 ARG A 471 8.539 3.186 1.748 1.00 1.08 H new ATOM 700 N GLN A 472 9.489 -4.251 -2.089 1.00 0.85 N ATOM 701 CA GLN A 472 10.707 -4.631 -2.784 1.00 0.85 C ATOM 702 C GLN A 472 10.743 -3.639 -3.958 1.00 0.85 C ATOM 703 O GLN A 472 9.847 -3.636 -4.814 1.00 0.85 O ATOM 704 CB GLN A 472 10.652 -6.118 -3.243 1.00 0.85 C ATOM 705 CG GLN A 472 11.904 -6.676 -3.974 1.00 0.85 C ATOM 706 CD GLN A 472 11.708 -6.804 -5.488 1.00 0.85 C ATOM 707 OE1 GLN A 472 11.039 -7.727 -5.961 1.00 0.85 O ATOM 708 NE2 GLN A 472 12.316 -5.878 -6.271 1.00 0.85 N ATOM 0 H GLN A 472 8.661 -4.416 -2.661 1.00 0.85 H new ATOM 0 HA GLN A 472 11.606 -4.580 -2.170 1.00 0.85 H new ATOM 0 HB2 GLN A 472 10.468 -6.737 -2.365 1.00 0.85 H new ATOM 0 HB3 GLN A 472 9.793 -6.237 -3.903 1.00 0.85 H new ATOM 0 HG2 GLN A 472 12.754 -6.022 -3.778 1.00 0.85 H new ATOM 0 HG3 GLN A 472 12.152 -7.654 -3.562 1.00 0.85 H new ATOM 0 HE21 GLN A 472 12.861 -5.129 -5.845 1.00 0.85 H new ATOM 0 HE22 GLN A 472 12.228 -5.931 -7.286 1.00 0.85 H new ATOM 762 N PRO A 477 16.817 -1.321 -2.477 1.00 0.88 N ATOM 763 CA PRO A 477 16.600 -2.089 -1.234 1.00 0.88 C ATOM 764 C PRO A 477 15.207 -2.685 -0.936 1.00 0.88 C ATOM 765 O PRO A 477 14.188 -2.282 -1.505 1.00 0.88 O ATOM 766 CB PRO A 477 16.971 -1.083 -0.119 1.00 0.88 C ATOM 767 CG PRO A 477 17.956 -0.128 -0.786 1.00 0.88 C ATOM 768 CD PRO A 477 17.368 0.003 -2.181 1.00 0.88 C ATOM 0 HA PRO A 477 17.197 -2.997 -1.318 1.00 0.88 H new ATOM 0 HB2 PRO A 477 16.091 -0.555 0.249 1.00 0.88 H new ATOM 0 HB3 PRO A 477 17.422 -1.586 0.737 1.00 0.88 H new ATOM 0 HG2 PRO A 477 18.006 0.832 -0.272 1.00 0.88 H new ATOM 0 HG3 PRO A 477 18.968 -0.533 -0.805 1.00 0.88 H new ATOM 0 HD2 PRO A 477 16.595 0.770 -2.214 1.00 0.88 H new ATOM 0 HD3 PRO A 477 18.130 0.286 -2.907 1.00 0.88 H new ATOM 776 N LEU A 478 15.186 -3.638 0.042 1.00 0.93 N ATOM 777 CA LEU A 478 14.044 -4.324 0.636 1.00 0.93 C ATOM 778 C LEU A 478 13.523 -3.580 1.880 1.00 0.93 C ATOM 779 O LEU A 478 13.986 -3.793 3.001 1.00 0.93 O ATOM 780 CB LEU A 478 14.388 -5.802 0.900 1.00 0.93 C ATOM 781 CG LEU A 478 13.277 -6.867 0.727 1.00 0.93 C ATOM 782 CD1 LEU A 478 11.899 -6.436 1.239 1.00 0.93 C ATOM 783 CD2 LEU A 478 13.179 -7.304 -0.737 1.00 0.93 C ATOM 0 H LEU A 478 16.059 -3.961 0.459 1.00 0.93 H new ATOM 0 HA LEU A 478 13.216 -4.316 -0.073 1.00 0.93 H new ATOM 0 HB2 LEU A 478 15.211 -6.073 0.239 1.00 0.93 H new ATOM 0 HB3 LEU A 478 14.761 -5.877 1.921 1.00 0.93 H new ATOM 0 HG LEU A 478 13.579 -7.706 1.354 1.00 0.93 H new ATOM 0 HD11 LEU A 478 11.183 -7.242 1.078 1.00 0.93 H new ATOM 0 HD12 LEU A 478 11.960 -6.212 2.304 1.00 0.93 H new ATOM 0 HD13 LEU A 478 11.572 -5.547 0.700 1.00 0.93 H new ATOM 0 HD21 LEU A 478 12.394 -8.053 -0.841 1.00 0.93 H new ATOM 0 HD22 LEU A 478 12.943 -6.441 -1.359 1.00 0.93 H new ATOM 0 HD23 LEU A 478 14.131 -7.730 -1.054 1.00 0.93 H new ATOM 795 N LEU A 479 12.550 -2.655 1.708 1.00 0.81 N ATOM 796 CA LEU A 479 12.005 -1.809 2.721 1.00 0.81 C ATOM 797 C LEU A 479 10.641 -2.198 3.288 1.00 0.81 C ATOM 798 O LEU A 479 9.893 -3.024 2.770 1.00 0.81 O ATOM 799 CB LEU A 479 11.935 -0.514 1.923 1.00 0.81 C ATOM 800 CG LEU A 479 11.858 0.774 2.718 1.00 0.81 C ATOM 801 CD1 LEU A 479 12.874 0.814 3.871 1.00 0.81 C ATOM 802 CD2 LEU A 479 12.110 1.845 1.662 1.00 0.81 C ATOM 0 H LEU A 479 12.120 -2.493 0.797 1.00 0.81 H new ATOM 0 HA LEU A 479 12.597 -1.813 3.636 1.00 0.81 H new ATOM 0 HB2 LEU A 479 12.813 -0.464 1.279 1.00 0.81 H new ATOM 0 HB3 LEU A 479 11.063 -0.563 1.271 1.00 0.81 H new ATOM 0 HG LEU A 479 10.903 0.906 3.227 1.00 0.81 H new ATOM 0 HD11 LEU A 479 12.777 1.757 4.409 1.00 0.81 H new ATOM 0 HD12 LEU A 479 12.682 -0.014 4.554 1.00 0.81 H new ATOM 0 HD13 LEU A 479 13.884 0.727 3.469 1.00 0.81 H new ATOM 0 HD21 LEU A 479 12.077 2.830 2.128 1.00 0.81 H new ATOM 0 HD22 LEU A 479 13.090 1.689 1.212 1.00 0.81 H new ATOM 0 HD23 LEU A 479 11.343 1.783 0.890 1.00 0.81 H new ATOM 814 N THR A 480 10.259 -1.599 4.431 1.00 0.69 N ATOM 815 CA THR A 480 8.958 -1.770 5.054 1.00 0.69 C ATOM 816 C THR A 480 8.754 -0.484 5.792 1.00 0.69 C ATOM 817 O THR A 480 9.724 0.170 6.171 1.00 0.69 O ATOM 818 CB THR A 480 8.877 -2.993 5.988 1.00 0.69 C ATOM 819 OG1 THR A 480 9.042 -4.195 5.252 1.00 0.69 O ATOM 820 CG2 THR A 480 7.642 -3.098 6.936 1.00 0.69 C ATOM 0 H THR A 480 10.871 -0.969 4.950 1.00 0.69 H new ATOM 0 HA THR A 480 8.181 -1.972 4.317 1.00 0.69 H new ATOM 0 HB THR A 480 9.706 -2.832 6.677 1.00 0.69 H new ATOM 0 HG1 THR A 480 9.231 -3.981 4.314 1.00 0.69 H new ATOM 0 HG21 THR A 480 7.718 -4.006 7.533 1.00 0.69 H new ATOM 0 HG22 THR A 480 7.615 -2.231 7.596 1.00 0.69 H new ATOM 0 HG23 THR A 480 6.729 -3.130 6.342 1.00 0.69 H new ATOM 828 N TYR A 481 7.468 -0.154 6.040 1.00 0.73 N ATOM 829 CA TYR A 481 6.924 0.904 6.850 1.00 0.73 C ATOM 830 C TYR A 481 5.989 0.237 7.875 1.00 0.73 C ATOM 831 O TYR A 481 5.190 -0.627 7.510 1.00 0.73 O ATOM 832 CB TYR A 481 6.190 1.951 5.935 1.00 0.73 C ATOM 833 CG TYR A 481 5.367 3.037 6.617 1.00 0.73 C ATOM 834 CD1 TYR A 481 5.741 3.602 7.851 1.00 0.73 C ATOM 835 CD2 TYR A 481 4.188 3.502 6.003 1.00 0.73 C ATOM 836 CE1 TYR A 481 4.963 4.593 8.460 1.00 0.73 C ATOM 837 CE2 TYR A 481 3.399 4.488 6.615 1.00 0.73 C ATOM 838 CZ TYR A 481 3.787 5.034 7.848 1.00 0.73 C ATOM 839 OH TYR A 481 3.009 6.023 8.490 1.00 0.73 O ATOM 0 H TYR A 481 6.717 -0.700 5.618 1.00 0.73 H new ATOM 0 HA TYR A 481 7.696 1.461 7.381 1.00 0.73 H new ATOM 0 HB2 TYR A 481 6.942 2.440 5.316 1.00 0.73 H new ATOM 0 HB3 TYR A 481 5.530 1.403 5.262 1.00 0.73 H new ATOM 0 HD1 TYR A 481 6.645 3.264 8.336 1.00 0.73 H new ATOM 0 HD2 TYR A 481 3.887 3.095 5.049 1.00 0.73 H new ATOM 0 HE1 TYR A 481 5.272 5.017 9.404 1.00 0.73 H new ATOM 0 HE2 TYR A 481 2.492 4.827 6.136 1.00 0.73 H new ATOM 0 HH TYR A 481 2.804 6.741 7.855 1.00 0.73 H new ATOM 849 N ARG A 482 6.075 0.633 9.181 1.00 0.84 N ATOM 850 CA ARG A 482 5.268 0.091 10.270 1.00 0.84 C ATOM 851 C ARG A 482 4.272 1.125 10.815 1.00 0.84 C ATOM 852 O ARG A 482 4.545 2.322 10.928 1.00 0.84 O ATOM 853 CB ARG A 482 6.166 -0.468 11.408 1.00 0.84 C ATOM 854 CG ARG A 482 5.416 -1.258 12.506 1.00 0.84 C ATOM 855 CD ARG A 482 6.340 -1.980 13.498 1.00 0.84 C ATOM 856 NE ARG A 482 7.072 -3.079 12.776 1.00 0.84 N ATOM 857 CZ ARG A 482 7.971 -3.908 13.391 1.00 0.84 C ATOM 858 NH1 ARG A 482 8.264 -3.765 14.716 1.00 0.84 N ATOM 859 NH2 ARG A 482 8.583 -4.892 12.667 1.00 0.84 N ATOM 0 H ARG A 482 6.727 1.354 9.491 1.00 0.84 H new ATOM 0 HA ARG A 482 4.687 -0.734 9.859 1.00 0.84 H new ATOM 0 HB2 ARG A 482 6.923 -1.117 10.967 1.00 0.84 H new ATOM 0 HB3 ARG A 482 6.693 0.364 11.876 1.00 0.84 H new ATOM 0 HG2 ARG A 482 4.773 -0.572 13.058 1.00 0.84 H new ATOM 0 HG3 ARG A 482 4.766 -1.992 12.031 1.00 0.84 H new ATOM 0 HD2 ARG A 482 7.051 -1.276 13.931 1.00 0.84 H new ATOM 0 HD3 ARG A 482 5.758 -2.393 14.322 1.00 0.84 H new ATOM 0 HE ARG A 482 6.890 -3.212 11.781 1.00 0.84 H new ATOM 0 HH11 ARG A 482 7.811 -3.033 15.262 1.00 0.84 H new ATOM 0 HH12 ARG A 482 8.936 -4.391 15.160 1.00 0.84 H new ATOM 0 HH21 ARG A 482 8.369 -5.004 11.676 1.00 0.84 H new ATOM 0 HH22 ARG A 482 9.254 -5.514 13.117 1.00 0.84 H new ATOM 873 N PHE A 483 3.066 0.630 11.181 1.00 0.68 N ATOM 874 CA PHE A 483 1.893 1.295 11.721 1.00 0.68 C ATOM 875 C PHE A 483 1.877 1.306 13.276 1.00 0.68 C ATOM 876 O PHE A 483 2.611 0.555 13.918 1.00 0.68 O ATOM 877 CB PHE A 483 0.629 0.710 11.035 1.00 0.68 C ATOM 878 CG PHE A 483 0.203 1.518 9.825 1.00 0.68 C ATOM 879 CD1 PHE A 483 0.987 1.581 8.654 1.00 0.68 C ATOM 880 CD2 PHE A 483 -1.001 2.243 9.864 1.00 0.68 C ATOM 881 CE1 PHE A 483 0.614 2.426 7.591 1.00 0.68 C ATOM 882 CE2 PHE A 483 -1.376 3.073 8.806 1.00 0.68 C ATOM 883 CZ PHE A 483 -0.565 3.178 7.673 1.00 0.68 C ATOM 0 H PHE A 483 2.888 -0.370 11.086 1.00 0.68 H new ATOM 0 HA PHE A 483 1.915 2.358 11.482 1.00 0.68 H new ATOM 0 HB2 PHE A 483 0.827 -0.318 10.731 1.00 0.68 H new ATOM 0 HB3 PHE A 483 -0.190 0.678 11.754 1.00 0.68 H new ATOM 0 HD1 PHE A 483 1.879 0.977 8.572 1.00 0.68 H new ATOM 0 HD2 PHE A 483 -1.646 2.156 10.726 1.00 0.68 H new ATOM 0 HE1 PHE A 483 1.237 2.494 6.712 1.00 0.68 H new ATOM 0 HE2 PHE A 483 -2.296 3.636 8.863 1.00 0.68 H new ATOM 0 HZ PHE A 483 -0.846 3.836 6.864 1.00 0.68 H new ATOM 893 N PRO A 484 1.079 2.182 13.932 1.00 0.53 N ATOM 894 CA PRO A 484 1.083 2.433 15.380 1.00 0.53 C ATOM 895 C PRO A 484 0.169 1.446 16.145 1.00 0.53 C ATOM 896 O PRO A 484 -1.009 1.488 15.815 1.00 0.53 O ATOM 897 CB PRO A 484 0.511 3.871 15.412 1.00 0.53 C ATOM 898 CG PRO A 484 -0.500 3.955 14.249 1.00 0.53 C ATOM 899 CD PRO A 484 -0.009 2.891 13.261 1.00 0.53 C ATOM 0 HA PRO A 484 2.056 2.311 15.855 1.00 0.53 H new ATOM 0 HB2 PRO A 484 0.026 4.076 16.366 1.00 0.53 H new ATOM 0 HB3 PRO A 484 1.304 4.609 15.293 1.00 0.53 H new ATOM 0 HG2 PRO A 484 -1.516 3.749 14.586 1.00 0.53 H new ATOM 0 HG3 PRO A 484 -0.509 4.947 13.797 1.00 0.53 H new ATOM 0 HD2 PRO A 484 -0.814 2.206 12.995 1.00 0.53 H new ATOM 0 HD3 PRO A 484 0.338 3.350 12.335 1.00 0.53 H new ATOM 907 N PRO A 485 0.493 0.644 17.192 1.00 0.68 N ATOM 908 CA PRO A 485 -0.337 -0.464 17.769 1.00 0.68 C ATOM 909 C PRO A 485 -1.673 -0.086 18.480 1.00 0.68 C ATOM 910 O PRO A 485 -2.009 -0.665 19.512 1.00 0.68 O ATOM 911 CB PRO A 485 0.660 -1.128 18.742 1.00 0.68 C ATOM 912 CG PRO A 485 1.575 0.010 19.159 1.00 0.68 C ATOM 913 CD PRO A 485 1.797 0.735 17.840 1.00 0.68 C ATOM 0 HA PRO A 485 -0.728 -1.092 16.969 1.00 0.68 H new ATOM 0 HB2 PRO A 485 0.150 -1.566 19.600 1.00 0.68 H new ATOM 0 HB3 PRO A 485 1.216 -1.931 18.258 1.00 0.68 H new ATOM 0 HG2 PRO A 485 1.111 0.654 19.906 1.00 0.68 H new ATOM 0 HG3 PRO A 485 2.509 -0.353 19.587 1.00 0.68 H new ATOM 0 HD2 PRO A 485 2.099 1.771 17.995 1.00 0.68 H new ATOM 0 HD3 PRO A 485 2.577 0.261 17.245 1.00 0.68 H new ATOM 921 N LYS A 486 -2.447 0.880 17.937 1.00 0.85 N ATOM 922 CA LYS A 486 -3.669 1.437 18.525 1.00 0.85 C ATOM 923 C LYS A 486 -4.980 1.565 17.769 1.00 0.85 C ATOM 924 O LYS A 486 -6.059 1.546 18.353 1.00 0.85 O ATOM 925 CB LYS A 486 -3.311 2.800 19.174 1.00 0.85 C ATOM 926 CG LYS A 486 -2.765 3.860 18.194 1.00 0.85 C ATOM 927 CD LYS A 486 -2.204 5.111 18.890 1.00 0.85 C ATOM 928 CE LYS A 486 -0.862 4.867 19.596 1.00 0.85 C ATOM 929 NZ LYS A 486 -0.336 6.123 20.182 1.00 0.85 N ATOM 0 H LYS A 486 -2.221 1.306 17.038 1.00 0.85 H new ATOM 0 HA LYS A 486 -3.949 0.624 19.195 1.00 0.85 H new ATOM 0 HB2 LYS A 486 -4.201 3.200 19.661 1.00 0.85 H new ATOM 0 HB3 LYS A 486 -2.569 2.631 19.955 1.00 0.85 H new ATOM 0 HG2 LYS A 486 -1.980 3.410 17.586 1.00 0.85 H new ATOM 0 HG3 LYS A 486 -3.563 4.160 17.514 1.00 0.85 H new ATOM 0 HD2 LYS A 486 -2.079 5.903 18.152 1.00 0.85 H new ATOM 0 HD3 LYS A 486 -2.930 5.468 19.620 1.00 0.85 H new ATOM 0 HE2 LYS A 486 -0.990 4.121 20.380 1.00 0.85 H new ATOM 0 HE3 LYS A 486 -0.141 4.463 18.885 1.00 0.85 H new ATOM 0 HZ1 LYS A 486 0.571 5.933 20.654 1.00 0.85 H new ATOM 0 HZ2 LYS A 486 -0.194 6.825 19.428 1.00 0.85 H new ATOM 0 HZ3 LYS A 486 -1.016 6.494 20.876 1.00 0.85 H new ATOM 943 N PHE A 487 -4.909 1.782 16.464 1.00 0.81 N ATOM 944 CA PHE A 487 -5.993 2.147 15.536 1.00 0.81 C ATOM 945 C PHE A 487 -6.874 1.004 14.942 1.00 0.81 C ATOM 946 O PHE A 487 -6.533 -0.176 14.960 1.00 0.81 O ATOM 947 CB PHE A 487 -5.290 3.054 14.460 1.00 0.81 C ATOM 948 CG PHE A 487 -6.134 3.538 13.305 1.00 0.81 C ATOM 949 CD1 PHE A 487 -6.921 4.697 13.345 1.00 0.81 C ATOM 950 CD2 PHE A 487 -6.211 2.706 12.186 1.00 0.81 C ATOM 951 CE1 PHE A 487 -7.772 5.002 12.273 1.00 0.81 C ATOM 952 CE2 PHE A 487 -7.069 2.976 11.122 1.00 0.81 C ATOM 953 CZ PHE A 487 -7.841 4.146 11.161 1.00 0.81 C ATOM 0 H PHE A 487 -4.017 1.703 15.975 1.00 0.81 H new ATOM 0 HA PHE A 487 -6.780 2.661 16.089 1.00 0.81 H new ATOM 0 HB2 PHE A 487 -4.882 3.927 14.969 1.00 0.81 H new ATOM 0 HB3 PHE A 487 -4.445 2.500 14.052 1.00 0.81 H new ATOM 0 HD1 PHE A 487 -6.872 5.354 14.200 1.00 0.81 H new ATOM 0 HD2 PHE A 487 -5.586 1.826 12.144 1.00 0.81 H new ATOM 0 HE1 PHE A 487 -8.376 5.897 12.302 1.00 0.81 H new ATOM 0 HE2 PHE A 487 -7.138 2.298 10.284 1.00 0.81 H new ATOM 0 HZ PHE A 487 -8.491 4.390 10.334 1.00 0.81 H new ATOM 963 N THR A 488 -8.052 1.376 14.330 1.00 0.82 N ATOM 964 CA THR A 488 -8.985 0.514 13.582 1.00 0.82 C ATOM 965 C THR A 488 -9.679 1.244 12.445 1.00 0.82 C ATOM 966 O THR A 488 -10.108 2.385 12.561 1.00 0.82 O ATOM 967 CB THR A 488 -10.008 -0.269 14.441 1.00 0.82 C ATOM 968 OG1 THR A 488 -9.301 -1.223 15.232 1.00 0.82 O ATOM 969 CG2 THR A 488 -11.088 -1.063 13.646 1.00 0.82 C ATOM 0 H THR A 488 -8.375 2.343 14.359 1.00 0.82 H new ATOM 0 HA THR A 488 -8.328 -0.245 13.157 1.00 0.82 H new ATOM 0 HB THR A 488 -10.532 0.492 15.019 1.00 0.82 H new ATOM 0 HG1 THR A 488 -8.337 -1.090 15.120 1.00 0.82 H new ATOM 0 HG21 THR A 488 -11.751 -1.574 14.344 1.00 0.82 H new ATOM 0 HG22 THR A 488 -11.668 -0.374 13.032 1.00 0.82 H new ATOM 0 HG23 THR A 488 -10.601 -1.798 13.005 1.00 0.82 H new ATOM 977 N LEU A 489 -9.822 0.542 11.295 1.00 0.93 N ATOM 978 CA LEU A 489 -10.488 0.903 10.069 1.00 0.93 C ATOM 979 C LEU A 489 -11.802 0.140 10.060 1.00 0.93 C ATOM 980 O LEU A 489 -11.965 -0.951 10.586 1.00 0.93 O ATOM 981 CB LEU A 489 -9.500 0.540 8.917 1.00 0.93 C ATOM 982 CG LEU A 489 -9.998 -0.025 7.575 1.00 0.93 C ATOM 983 CD1 LEU A 489 -10.914 0.947 6.880 1.00 0.93 C ATOM 984 CD2 LEU A 489 -8.853 -0.420 6.616 1.00 0.93 C ATOM 0 H LEU A 489 -9.420 -0.392 11.221 1.00 0.93 H new ATOM 0 HA LEU A 489 -10.735 1.959 9.955 1.00 0.93 H new ATOM 0 HB2 LEU A 489 -8.934 1.443 8.689 1.00 0.93 H new ATOM 0 HB3 LEU A 489 -8.794 -0.185 9.323 1.00 0.93 H new ATOM 0 HG LEU A 489 -10.545 -0.933 7.827 1.00 0.93 H new ATOM 0 HD11 LEU A 489 -11.249 0.519 5.935 1.00 0.93 H new ATOM 0 HD12 LEU A 489 -11.778 1.149 7.513 1.00 0.93 H new ATOM 0 HD13 LEU A 489 -10.379 1.877 6.688 1.00 0.93 H new ATOM 0 HD21 LEU A 489 -9.273 -0.811 5.689 1.00 0.93 H new ATOM 0 HD22 LEU A 489 -8.243 0.457 6.397 1.00 0.93 H new ATOM 0 HD23 LEU A 489 -8.234 -1.185 7.084 1.00 0.93 H new ATOM 996 N LYS A 490 -12.811 0.772 9.460 1.00 0.79 N ATOM 997 CA LYS A 490 -14.181 0.407 9.422 1.00 0.79 C ATOM 998 C LYS A 490 -14.525 -0.357 8.150 1.00 0.79 C ATOM 999 O LYS A 490 -13.945 -0.071 7.108 1.00 0.79 O ATOM 1000 CB LYS A 490 -14.927 1.790 9.326 1.00 0.79 C ATOM 1001 CG LYS A 490 -14.393 2.866 10.307 1.00 0.79 C ATOM 1002 CD LYS A 490 -14.691 2.546 11.780 1.00 0.79 C ATOM 1003 CE LYS A 490 -14.284 3.668 12.748 1.00 0.79 C ATOM 1004 NZ LYS A 490 -12.826 3.923 12.700 1.00 0.79 N ATOM 0 H LYS A 490 -12.646 1.636 8.944 1.00 0.79 H new ATOM 0 HA LYS A 490 -14.443 -0.217 10.277 1.00 0.79 H new ATOM 0 HB2 LYS A 490 -14.841 2.168 8.307 1.00 0.79 H new ATOM 0 HB3 LYS A 490 -15.988 1.633 9.519 1.00 0.79 H new ATOM 0 HG2 LYS A 490 -13.316 2.966 10.175 1.00 0.79 H new ATOM 0 HG3 LYS A 490 -14.836 3.830 10.055 1.00 0.79 H new ATOM 0 HD2 LYS A 490 -15.757 2.350 11.892 1.00 0.79 H new ATOM 0 HD3 LYS A 490 -14.168 1.631 12.057 1.00 0.79 H new ATOM 0 HE2 LYS A 490 -14.823 4.581 12.495 1.00 0.79 H new ATOM 0 HE3 LYS A 490 -14.574 3.397 13.763 1.00 0.79 H new ATOM 0 HZ1 LYS A 490 -12.537 4.446 13.551 1.00 0.79 H new ATOM 0 HZ2 LYS A 490 -12.316 3.017 12.661 1.00 0.79 H new ATOM 0 HZ3 LYS A 490 -12.599 4.485 11.855 1.00 0.79 H new ATOM 1018 N ALA A 491 -15.552 -1.256 8.176 1.00 0.40 N ATOM 1019 CA ALA A 491 -16.314 -1.833 7.028 1.00 0.40 C ATOM 1020 C ALA A 491 -16.686 -0.789 5.928 1.00 0.40 C ATOM 1021 O ALA A 491 -17.725 -0.140 5.995 1.00 0.40 O ATOM 1022 CB ALA A 491 -17.645 -2.438 7.551 1.00 0.40 C ATOM 0 H ALA A 491 -15.893 -1.623 9.064 1.00 0.40 H new ATOM 0 HA ALA A 491 -15.658 -2.579 6.579 1.00 0.40 H new ATOM 0 HB1 ALA A 491 -18.205 -2.861 6.717 1.00 0.40 H new ATOM 0 HB2 ALA A 491 -17.428 -3.222 8.277 1.00 0.40 H new ATOM 0 HB3 ALA A 491 -18.237 -1.657 8.027 1.00 0.40 H new ATOM 1028 N GLY A 492 -15.677 -0.540 5.047 1.00 0.27 N ATOM 1029 CA GLY A 492 -15.328 0.618 4.219 1.00 0.27 C ATOM 1030 C GLY A 492 -15.308 2.026 4.707 1.00 0.27 C ATOM 1031 O GLY A 492 -16.065 2.895 4.293 1.00 0.27 O ATOM 0 H GLY A 492 -14.989 -1.277 4.889 1.00 0.27 H new ATOM 0 HA2 GLY A 492 -14.331 0.420 3.827 1.00 0.27 H new ATOM 0 HA3 GLY A 492 -16.013 0.601 3.371 1.00 0.27 H new ATOM 1035 N GLN A 493 -14.208 2.309 5.451 1.00 0.35 N ATOM 1036 CA GLN A 493 -13.659 3.645 5.592 1.00 0.35 C ATOM 1037 C GLN A 493 -12.625 3.740 4.418 1.00 0.35 C ATOM 1038 O GLN A 493 -12.137 2.707 3.921 1.00 0.35 O ATOM 1039 CB GLN A 493 -13.086 3.882 7.030 1.00 0.35 C ATOM 1040 CG GLN A 493 -11.993 4.953 7.332 1.00 0.35 C ATOM 1041 CD GLN A 493 -10.562 4.392 7.281 1.00 0.35 C ATOM 1042 OE1 GLN A 493 -10.262 3.632 6.210 1.00 0.35 O flip ATOM 1043 NE2 GLN A 493 -9.798 4.515 8.231 1.00 0.35 N flip ATOM 0 H GLN A 493 -13.688 1.599 5.966 1.00 0.35 H new ATOM 0 HA GLN A 493 -14.392 4.447 5.510 1.00 0.35 H new ATOM 0 HB2 GLN A 493 -13.937 4.116 7.670 1.00 0.35 H new ATOM 0 HB3 GLN A 493 -12.687 2.926 7.368 1.00 0.35 H new ATOM 0 HG2 GLN A 493 -12.083 5.767 6.612 1.00 0.35 H new ATOM 0 HG3 GLN A 493 -12.174 5.379 8.319 1.00 0.35 H new ATOM 0 HE21 GLN A 493 -10.061 5.100 9.024 1.00 0.35 H new ATOM 0 HE22 GLN A 493 -8.899 4.033 8.228 1.00 0.35 H new ATOM 1052 N VAL A 494 -12.189 4.974 4.033 1.00 0.36 N ATOM 1053 CA VAL A 494 -11.136 5.242 3.038 1.00 0.36 C ATOM 1054 C VAL A 494 -9.778 5.578 3.684 1.00 0.36 C ATOM 1055 O VAL A 494 -9.662 6.478 4.521 1.00 0.36 O ATOM 1056 CB VAL A 494 -11.532 6.368 2.072 1.00 0.36 C ATOM 1057 CG1 VAL A 494 -10.433 6.646 1.012 1.00 0.36 C ATOM 1058 CG2 VAL A 494 -12.843 5.962 1.366 1.00 0.36 C ATOM 0 H VAL A 494 -12.581 5.830 4.426 1.00 0.36 H new ATOM 0 HA VAL A 494 -11.026 4.314 2.477 1.00 0.36 H new ATOM 0 HB VAL A 494 -11.663 7.285 2.646 1.00 0.36 H new ATOM 0 HG11 VAL A 494 -10.759 7.450 0.352 1.00 0.36 H new ATOM 0 HG12 VAL A 494 -9.510 6.939 1.513 1.00 0.36 H new ATOM 0 HG13 VAL A 494 -10.257 5.744 0.426 1.00 0.36 H new ATOM 0 HG21 VAL A 494 -13.143 6.749 0.674 1.00 0.36 H new ATOM 0 HG22 VAL A 494 -12.687 5.035 0.815 1.00 0.36 H new ATOM 0 HG23 VAL A 494 -13.626 5.815 2.110 1.00 0.36 H new ATOM 1068 N VAL A 495 -8.705 4.850 3.247 1.00 0.55 N ATOM 1069 CA VAL A 495 -7.312 5.065 3.617 1.00 0.55 C ATOM 1070 C VAL A 495 -6.454 5.284 2.405 1.00 0.55 C ATOM 1071 O VAL A 495 -6.646 4.755 1.320 1.00 0.55 O ATOM 1072 CB VAL A 495 -6.671 4.077 4.611 1.00 0.55 C ATOM 1073 CG1 VAL A 495 -6.869 4.598 6.046 1.00 0.55 C ATOM 1074 CG2 VAL A 495 -7.209 2.647 4.433 1.00 0.55 C ATOM 0 H VAL A 495 -8.817 4.069 2.600 1.00 0.55 H new ATOM 0 HA VAL A 495 -7.357 5.979 4.209 1.00 0.55 H new ATOM 0 HB VAL A 495 -5.602 4.017 4.406 1.00 0.55 H new ATOM 0 HG11 VAL A 495 -6.417 3.901 6.752 1.00 0.55 H new ATOM 0 HG12 VAL A 495 -6.396 5.575 6.147 1.00 0.55 H new ATOM 0 HG13 VAL A 495 -7.935 4.687 6.257 1.00 0.55 H new ATOM 0 HG21 VAL A 495 -6.729 1.985 5.154 1.00 0.55 H new ATOM 0 HG22 VAL A 495 -8.287 2.641 4.596 1.00 0.55 H new ATOM 0 HG23 VAL A 495 -6.993 2.300 3.423 1.00 0.55 H new ATOM 1084 N THR A 496 -5.434 6.145 2.575 1.00 0.72 N ATOM 1085 CA THR A 496 -4.502 6.492 1.533 1.00 0.72 C ATOM 1086 C THR A 496 -3.170 6.423 2.215 1.00 0.72 C ATOM 1087 O THR A 496 -2.841 7.210 3.099 1.00 0.72 O ATOM 1088 CB THR A 496 -4.717 7.919 0.998 1.00 0.72 C ATOM 1089 OG1 THR A 496 -6.004 8.045 0.407 1.00 0.72 O ATOM 1090 CG2 THR A 496 -3.678 8.309 -0.066 1.00 0.72 C ATOM 0 H THR A 496 -5.248 6.616 3.460 1.00 0.72 H new ATOM 0 HA THR A 496 -4.608 5.830 0.674 1.00 0.72 H new ATOM 0 HB THR A 496 -4.616 8.581 1.858 1.00 0.72 H new ATOM 0 HG1 THR A 496 -6.123 8.959 0.074 1.00 0.72 H new ATOM 0 HG21 THR A 496 -3.874 9.324 -0.411 1.00 0.72 H new ATOM 0 HG22 THR A 496 -2.678 8.259 0.366 1.00 0.72 H new ATOM 0 HG23 THR A 496 -3.744 7.621 -0.909 1.00 0.72 H new ATOM 1098 N ILE A 497 -2.336 5.444 1.828 1.00 0.70 N ATOM 1099 CA ILE A 497 -1.001 5.315 2.366 1.00 0.70 C ATOM 1100 C ILE A 497 -0.087 5.588 1.218 1.00 0.70 C ATOM 1101 O ILE A 497 -0.368 5.120 0.116 1.00 0.70 O ATOM 1102 CB ILE A 497 -0.793 3.937 2.984 1.00 0.70 C ATOM 1103 CG1 ILE A 497 -1.867 3.786 4.074 1.00 0.70 C ATOM 1104 CG2 ILE A 497 0.568 3.862 3.695 1.00 0.70 C ATOM 1105 CD1 ILE A 497 -3.143 3.051 3.664 1.00 0.70 C ATOM 0 H ILE A 497 -2.579 4.733 1.139 1.00 0.70 H new ATOM 0 HA ILE A 497 -0.807 6.014 3.180 1.00 0.70 H new ATOM 0 HB ILE A 497 -0.844 3.172 2.210 1.00 0.70 H new ATOM 0 HG12 ILE A 497 -1.425 3.260 4.920 1.00 0.70 H new ATOM 0 HG13 ILE A 497 -2.142 4.781 4.425 1.00 0.70 H new ATOM 0 HG21 ILE A 497 0.697 2.871 4.129 1.00 0.70 H new ATOM 0 HG22 ILE A 497 1.365 4.050 2.976 1.00 0.70 H new ATOM 0 HG23 ILE A 497 0.608 4.612 4.485 1.00 0.70 H new ATOM 0 HD11 ILE A 497 -3.826 3.006 4.513 1.00 0.70 H new ATOM 0 HD12 ILE A 497 -3.621 3.583 2.842 1.00 0.70 H new ATOM 0 HD13 ILE A 497 -2.893 2.039 3.345 1.00 0.70 H new ATOM 1117 N TRP A 498 1.037 6.307 1.484 1.00 0.58 N ATOM 1118 CA TRP A 498 2.158 6.531 0.548 1.00 0.58 C ATOM 1119 C TRP A 498 3.386 7.330 0.952 1.00 0.58 C ATOM 1120 O TRP A 498 3.735 7.406 2.130 1.00 0.58 O ATOM 1121 CB TRP A 498 1.848 6.565 -0.984 1.00 0.58 C ATOM 1122 CG TRP A 498 2.450 5.356 -1.712 1.00 0.58 C ATOM 1123 CD1 TRP A 498 2.971 5.352 -2.962 1.00 0.58 C ATOM 1124 CD2 TRP A 498 2.640 4.003 -1.217 1.00 0.58 C ATOM 1125 NE1 TRP A 498 3.464 4.134 -3.288 1.00 0.58 N ATOM 1126 CE2 TRP A 498 3.324 3.301 -2.226 1.00 0.58 C ATOM 1127 CE3 TRP A 498 2.291 3.351 -0.030 1.00 0.58 C ATOM 1128 CZ2 TRP A 498 3.695 1.985 -2.062 1.00 0.58 C ATOM 1129 CZ3 TRP A 498 2.700 2.039 0.157 1.00 0.58 C ATOM 1130 CH2 TRP A 498 3.425 1.387 -0.828 1.00 0.58 C ATOM 0 H TRP A 498 1.186 6.758 2.386 1.00 0.58 H new ATOM 0 HA TRP A 498 2.535 5.529 0.752 1.00 0.58 H new ATOM 0 HB2 TRP A 498 0.769 6.581 -1.137 1.00 0.58 H new ATOM 0 HB3 TRP A 498 2.245 7.484 -1.415 1.00 0.58 H new ATOM 0 HD1 TRP A 498 2.991 6.211 -3.616 1.00 0.58 H new ATOM 0 HE1 TRP A 498 3.875 3.883 -4.187 1.00 0.58 H new ATOM 0 HE3 TRP A 498 1.713 3.860 0.727 1.00 0.58 H new ATOM 0 HZ2 TRP A 498 4.177 1.436 -2.857 1.00 0.58 H new ATOM 0 HZ3 TRP A 498 2.453 1.524 1.073 1.00 0.58 H new ATOM 0 HH2 TRP A 498 3.791 0.389 -0.637 1.00 0.58 H new ATOM 1141 N ALA A 499 4.135 7.878 -0.052 1.00 0.33 N ATOM 1142 CA ALA A 499 5.408 8.577 0.059 1.00 0.33 C ATOM 1143 C ALA A 499 5.246 10.051 0.434 1.00 0.33 C ATOM 1144 O ALA A 499 4.257 10.685 0.059 1.00 0.33 O ATOM 1145 CB ALA A 499 6.185 8.355 -1.252 1.00 0.33 C ATOM 0 H ALA A 499 3.822 7.827 -1.022 1.00 0.33 H new ATOM 0 HA ALA A 499 5.985 8.165 0.887 1.00 0.33 H new ATOM 0 HB1 ALA A 499 7.145 8.868 -1.197 1.00 0.33 H new ATOM 0 HB2 ALA A 499 6.352 7.288 -1.400 1.00 0.33 H new ATOM 0 HB3 ALA A 499 5.609 8.751 -2.088 1.00 0.33 H new ATOM 1151 N ALA A 500 6.197 10.604 1.256 1.00 0.18 N ATOM 1152 CA ALA A 500 6.194 11.875 2.011 1.00 0.18 C ATOM 1153 C ALA A 500 5.443 13.094 1.488 1.00 0.18 C ATOM 1154 O ALA A 500 4.532 13.645 2.111 1.00 0.18 O ATOM 1155 CB ALA A 500 7.639 12.312 2.342 1.00 0.18 C ATOM 0 H ALA A 500 7.073 10.105 1.413 1.00 0.18 H new ATOM 0 HA ALA A 500 5.596 11.575 2.872 1.00 0.18 H new ATOM 0 HB1 ALA A 500 7.617 13.249 2.898 1.00 0.18 H new ATOM 0 HB2 ALA A 500 8.122 11.544 2.945 1.00 0.18 H new ATOM 0 HB3 ALA A 500 8.198 12.452 1.417 1.00 0.18 H new ATOM 1161 N GLY A 501 5.836 13.487 0.262 1.00 0.15 N ATOM 1162 CA GLY A 501 5.218 14.574 -0.460 1.00 0.15 C ATOM 1163 C GLY A 501 5.069 14.193 -1.885 1.00 0.15 C ATOM 1164 O GLY A 501 5.337 14.987 -2.777 1.00 0.15 O ATOM 0 H GLY A 501 6.601 13.043 -0.246 1.00 0.15 H new ATOM 0 HA2 GLY A 501 4.244 14.804 -0.029 1.00 0.15 H new ATOM 0 HA3 GLY A 501 5.826 15.475 -0.374 1.00 0.15 H new ATOM 1168 N ALA A 502 4.593 12.953 -2.162 1.00 0.13 N ATOM 1169 CA ALA A 502 4.368 12.385 -3.490 1.00 0.13 C ATOM 1170 C ALA A 502 3.141 12.903 -4.255 1.00 0.13 C ATOM 1171 O ALA A 502 2.573 12.199 -5.085 1.00 0.13 O ATOM 1172 CB ALA A 502 4.223 10.856 -3.318 1.00 0.13 C ATOM 0 H ALA A 502 4.347 12.299 -1.419 1.00 0.13 H new ATOM 0 HA ALA A 502 5.223 12.690 -4.094 1.00 0.13 H new ATOM 0 HB1 ALA A 502 4.053 10.395 -4.291 1.00 0.13 H new ATOM 0 HB2 ALA A 502 5.135 10.451 -2.879 1.00 0.13 H new ATOM 0 HB3 ALA A 502 3.379 10.642 -2.663 1.00 0.13 H new ATOM 1178 N GLY A 503 2.682 14.141 -3.946 1.00 0.12 N ATOM 1179 CA GLY A 503 1.449 14.756 -4.436 1.00 0.12 C ATOM 1180 C GLY A 503 0.396 14.761 -3.357 1.00 0.12 C ATOM 1181 O GLY A 503 -0.609 15.459 -3.447 1.00 0.12 O ATOM 0 H GLY A 503 3.196 14.758 -3.317 1.00 0.12 H new ATOM 0 HA2 GLY A 503 1.649 15.777 -4.761 1.00 0.12 H new ATOM 0 HA3 GLY A 503 1.084 14.210 -5.306 1.00 0.12 H new ATOM 1185 N ALA A 504 0.630 13.954 -2.292 1.00 0.14 N ATOM 1186 CA ALA A 504 -0.193 13.770 -1.115 1.00 0.14 C ATOM 1187 C ALA A 504 0.123 14.778 -0.008 1.00 0.14 C ATOM 1188 O ALA A 504 1.196 15.376 0.036 1.00 0.14 O ATOM 1189 CB ALA A 504 0.013 12.333 -0.585 1.00 0.14 C ATOM 0 H ALA A 504 1.471 13.378 -2.251 1.00 0.14 H new ATOM 0 HA ALA A 504 -1.231 13.935 -1.405 1.00 0.14 H new ATOM 0 HB1 ALA A 504 -0.602 12.181 0.302 1.00 0.14 H new ATOM 0 HB2 ALA A 504 -0.276 11.617 -1.354 1.00 0.14 H new ATOM 0 HB3 ALA A 504 1.062 12.187 -0.329 1.00 0.14 H new ATOM 1195 N THR A 505 -0.830 14.954 0.934 1.00 0.22 N ATOM 1196 CA THR A 505 -0.759 15.853 2.083 1.00 0.22 C ATOM 1197 C THR A 505 -0.450 15.011 3.305 1.00 0.22 C ATOM 1198 O THR A 505 -1.020 13.938 3.454 1.00 0.22 O ATOM 1199 CB THR A 505 -2.126 16.541 2.228 1.00 0.22 C ATOM 1200 OG1 THR A 505 -2.237 17.537 1.227 1.00 0.22 O ATOM 1201 CG2 THR A 505 -2.417 17.220 3.578 1.00 0.22 C ATOM 0 H THR A 505 -1.711 14.441 0.902 1.00 0.22 H new ATOM 0 HA THR A 505 0.013 16.613 1.963 1.00 0.22 H new ATOM 0 HB THR A 505 -2.849 15.730 2.139 1.00 0.22 H new ATOM 0 HG1 THR A 505 -3.105 17.984 1.305 1.00 0.22 H new ATOM 0 HG21 THR A 505 -3.411 17.668 3.553 1.00 0.22 H new ATOM 0 HG22 THR A 505 -2.373 16.478 4.375 1.00 0.22 H new ATOM 0 HG23 THR A 505 -1.674 17.996 3.763 1.00 0.22 H new ATOM 1209 N HIS A 506 0.421 15.445 4.271 1.00 0.30 N ATOM 1210 CA HIS A 506 0.682 14.715 5.520 1.00 0.30 C ATOM 1211 C HIS A 506 -0.497 14.884 6.496 1.00 0.30 C ATOM 1212 O HIS A 506 -0.759 15.934 7.075 1.00 0.30 O ATOM 1213 CB HIS A 506 2.120 14.959 6.067 1.00 0.30 C ATOM 1214 CG HIS A 506 2.499 16.242 6.776 1.00 0.30 C ATOM 1215 ND1 HIS A 506 3.641 16.945 6.445 1.00 0.30 N ATOM 1216 CD2 HIS A 506 2.051 16.804 7.933 1.00 0.30 C ATOM 1217 CE1 HIS A 506 3.818 17.895 7.394 1.00 0.30 C ATOM 1218 NE2 HIS A 506 2.882 17.845 8.318 1.00 0.30 N ATOM 0 H HIS A 506 0.952 16.312 4.189 1.00 0.30 H new ATOM 0 HA HIS A 506 0.710 13.642 5.330 1.00 0.30 H new ATOM 0 HB2 HIS A 506 2.338 14.143 6.756 1.00 0.30 H new ATOM 0 HB3 HIS A 506 2.800 14.853 5.222 1.00 0.30 H new ATOM 0 HD2 HIS A 506 1.173 16.484 8.474 1.00 0.30 H new ATOM 0 HE1 HIS A 506 4.629 18.608 7.393 1.00 0.30 H new ATOM 0 HE2 HIS A 506 2.788 18.443 9.139 1.00 0.30 H new ATOM 1226 N SER A 507 -1.346 13.824 6.523 1.00 0.26 N ATOM 1227 CA SER A 507 -2.704 13.854 7.097 1.00 0.26 C ATOM 1228 C SER A 507 -3.340 12.574 7.703 1.00 0.26 C ATOM 1229 O SER A 507 -4.332 12.070 7.165 1.00 0.26 O ATOM 1230 CB SER A 507 -3.627 14.538 6.068 1.00 0.26 C ATOM 1231 OG SER A 507 -3.762 15.939 6.295 1.00 0.26 O ATOM 0 H SER A 507 -1.096 12.913 6.139 1.00 0.26 H new ATOM 0 HA SER A 507 -2.582 14.413 8.025 1.00 0.26 H new ATOM 0 HB2 SER A 507 -3.232 14.373 5.066 1.00 0.26 H new ATOM 0 HB3 SER A 507 -4.612 14.072 6.103 1.00 0.26 H new ATOM 0 HG SER A 507 -2.903 16.307 6.589 1.00 0.26 H new ATOM 1237 N PRO A 508 -2.829 11.979 8.797 1.00 0.20 N ATOM 1238 CA PRO A 508 -3.395 10.813 9.511 1.00 0.20 C ATOM 1239 C PRO A 508 -4.797 10.970 10.145 1.00 0.20 C ATOM 1240 O PRO A 508 -5.148 12.087 10.518 1.00 0.20 O ATOM 1241 CB PRO A 508 -2.366 10.547 10.618 1.00 0.20 C ATOM 1242 CG PRO A 508 -1.083 10.955 9.927 1.00 0.20 C ATOM 1243 CD PRO A 508 -1.469 12.259 9.239 1.00 0.20 C ATOM 0 HA PRO A 508 -3.558 10.014 8.787 1.00 0.20 H new ATOM 0 HB2 PRO A 508 -2.559 11.141 11.512 1.00 0.20 H new ATOM 0 HB3 PRO A 508 -2.353 9.502 10.926 1.00 0.20 H new ATOM 0 HG2 PRO A 508 -0.269 11.098 10.638 1.00 0.20 H new ATOM 0 HG3 PRO A 508 -0.752 10.203 9.211 1.00 0.20 H new ATOM 0 HD2 PRO A 508 -1.429 13.108 9.922 1.00 0.20 H new ATOM 0 HD3 PRO A 508 -0.808 12.490 8.404 1.00 0.20 H new ATOM 1251 N PRO A 509 -5.605 9.897 10.310 1.00 0.37 N ATOM 1252 CA PRO A 509 -5.330 8.490 9.979 1.00 0.37 C ATOM 1253 C PRO A 509 -5.802 8.144 8.556 1.00 0.37 C ATOM 1254 O PRO A 509 -6.136 6.999 8.271 1.00 0.37 O ATOM 1255 CB PRO A 509 -6.185 7.773 11.039 1.00 0.37 C ATOM 1256 CG PRO A 509 -7.431 8.659 11.219 1.00 0.37 C ATOM 1257 CD PRO A 509 -6.951 10.068 10.853 1.00 0.37 C ATOM 0 HA PRO A 509 -4.273 8.223 9.990 1.00 0.37 H new ATOM 0 HB2 PRO A 509 -6.459 6.770 10.711 1.00 0.37 H new ATOM 0 HB3 PRO A 509 -5.640 7.664 11.977 1.00 0.37 H new ATOM 0 HG2 PRO A 509 -8.246 8.336 10.571 1.00 0.37 H new ATOM 0 HG3 PRO A 509 -7.803 8.619 12.243 1.00 0.37 H new ATOM 0 HD2 PRO A 509 -7.613 10.530 10.121 1.00 0.37 H new ATOM 0 HD3 PRO A 509 -6.941 10.718 11.728 1.00 0.37 H new ATOM 1265 N THR A 510 -5.853 9.138 7.643 1.00 0.65 N ATOM 1266 CA THR A 510 -6.421 9.032 6.300 1.00 0.65 C ATOM 1267 C THR A 510 -5.382 9.140 5.201 1.00 0.65 C ATOM 1268 O THR A 510 -5.568 8.605 4.111 1.00 0.65 O ATOM 1269 CB THR A 510 -7.582 10.024 6.099 1.00 0.65 C ATOM 1270 OG1 THR A 510 -7.298 11.344 6.578 1.00 0.65 O ATOM 1271 CG2 THR A 510 -8.778 9.509 6.925 1.00 0.65 C ATOM 0 H THR A 510 -5.483 10.068 7.838 1.00 0.65 H new ATOM 0 HA THR A 510 -6.830 8.025 6.219 1.00 0.65 H new ATOM 0 HB THR A 510 -7.771 10.085 5.027 1.00 0.65 H new ATOM 0 HG1 THR A 510 -6.332 11.444 6.708 1.00 0.65 H new ATOM 0 HG21 THR A 510 -9.622 10.189 6.807 1.00 0.65 H new ATOM 0 HG22 THR A 510 -9.061 8.516 6.576 1.00 0.65 H new ATOM 0 HG23 THR A 510 -8.498 9.458 7.977 1.00 0.65 H new ATOM 1279 N ASP A 511 -4.250 9.822 5.465 1.00 0.62 N ATOM 1280 CA ASP A 511 -3.175 10.036 4.535 1.00 0.62 C ATOM 1281 C ASP A 511 -1.932 9.738 5.352 1.00 0.62 C ATOM 1282 O ASP A 511 -1.498 10.541 6.183 1.00 0.62 O ATOM 1283 CB ASP A 511 -3.218 11.504 4.004 1.00 0.62 C ATOM 1284 CG ASP A 511 -2.703 11.563 2.565 1.00 0.62 C ATOM 1285 OD1 ASP A 511 -1.562 11.087 2.325 1.00 0.62 O ATOM 1286 OD2 ASP A 511 -3.445 12.080 1.688 1.00 0.62 O ATOM 0 H ASP A 511 -4.074 10.247 6.375 1.00 0.62 H new ATOM 0 HA ASP A 511 -3.221 9.409 3.644 1.00 0.62 H new ATOM 0 HB2 ASP A 511 -4.239 11.884 4.048 1.00 0.62 H new ATOM 0 HB3 ASP A 511 -2.611 12.147 4.642 1.00 0.62 H new ATOM 1291 N LEU A 512 -1.317 8.552 5.129 1.00 0.38 N ATOM 1292 CA LEU A 512 -0.141 8.120 5.879 1.00 0.38 C ATOM 1293 C LEU A 512 1.032 8.190 4.957 1.00 0.38 C ATOM 1294 O LEU A 512 1.322 7.270 4.191 1.00 0.38 O ATOM 1295 CB LEU A 512 -0.190 6.730 6.570 1.00 0.38 C ATOM 1296 CG LEU A 512 -1.297 6.546 7.630 1.00 0.38 C ATOM 1297 CD1 LEU A 512 -1.468 7.730 8.584 1.00 0.38 C ATOM 1298 CD2 LEU A 512 -2.599 6.145 6.936 1.00 0.38 C ATOM 0 H LEU A 512 -1.629 7.881 4.427 1.00 0.38 H new ATOM 0 HA LEU A 512 -0.077 8.802 6.727 1.00 0.38 H new ATOM 0 HB2 LEU A 512 -0.318 5.968 5.802 1.00 0.38 H new ATOM 0 HB3 LEU A 512 0.774 6.546 7.043 1.00 0.38 H new ATOM 0 HG LEU A 512 -0.982 5.739 8.292 1.00 0.38 H new ATOM 0 HD11 LEU A 512 -2.266 7.513 9.294 1.00 0.38 H new ATOM 0 HD12 LEU A 512 -0.537 7.898 9.125 1.00 0.38 H new ATOM 0 HD13 LEU A 512 -1.722 8.623 8.013 1.00 0.38 H new ATOM 0 HD21 LEU A 512 -3.383 6.014 7.682 1.00 0.38 H new ATOM 0 HD22 LEU A 512 -2.892 6.925 6.234 1.00 0.38 H new ATOM 0 HD23 LEU A 512 -2.451 5.209 6.397 1.00 0.38 H new ATOM 1310 N VAL A 513 1.740 9.336 5.065 1.00 0.38 N ATOM 1311 CA VAL A 513 2.944 9.655 4.345 1.00 0.38 C ATOM 1312 C VAL A 513 4.151 9.218 5.176 1.00 0.38 C ATOM 1313 O VAL A 513 4.299 9.504 6.366 1.00 0.38 O ATOM 1314 CB VAL A 513 2.996 11.062 3.759 1.00 0.38 C ATOM 1315 CG1 VAL A 513 1.633 11.482 3.162 1.00 0.38 C ATOM 1316 CG2 VAL A 513 3.548 12.055 4.776 1.00 0.38 C ATOM 0 H VAL A 513 1.454 10.086 5.694 1.00 0.38 H new ATOM 0 HA VAL A 513 2.963 9.075 3.423 1.00 0.38 H new ATOM 0 HB VAL A 513 3.693 11.062 2.921 1.00 0.38 H new ATOM 0 HG11 VAL A 513 1.709 12.490 2.754 1.00 0.38 H new ATOM 0 HG12 VAL A 513 1.355 10.789 2.368 1.00 0.38 H new ATOM 0 HG13 VAL A 513 0.873 11.463 3.943 1.00 0.38 H new ATOM 0 HG21 VAL A 513 3.575 13.051 4.334 1.00 0.38 H new ATOM 0 HG22 VAL A 513 2.908 12.067 5.658 1.00 0.38 H new ATOM 0 HG23 VAL A 513 4.557 11.758 5.064 1.00 0.38 H new ATOM 1326 N TRP A 514 5.054 8.474 4.520 1.00 0.57 N ATOM 1327 CA TRP A 514 6.278 7.944 5.115 1.00 0.57 C ATOM 1328 C TRP A 514 7.456 8.765 4.653 1.00 0.57 C ATOM 1329 O TRP A 514 7.356 9.600 3.766 1.00 0.57 O ATOM 1330 CB TRP A 514 6.330 6.396 5.012 1.00 0.57 C ATOM 1331 CG TRP A 514 7.632 5.626 4.846 1.00 0.57 C ATOM 1332 CD1 TRP A 514 8.108 5.374 3.608 1.00 0.57 C ATOM 1333 CD2 TRP A 514 8.460 4.858 5.751 1.00 0.57 C ATOM 1334 NE1 TRP A 514 8.969 4.312 3.637 1.00 0.57 N ATOM 1335 CE2 TRP A 514 9.233 4.009 4.932 1.00 0.57 C ATOM 1336 CE3 TRP A 514 8.580 4.798 7.144 1.00 0.57 C ATOM 1337 CZ2 TRP A 514 10.078 3.067 5.461 1.00 0.57 C ATOM 1338 CZ3 TRP A 514 9.510 3.870 7.668 1.00 0.57 C ATOM 1339 CH2 TRP A 514 10.234 3.014 6.840 1.00 0.57 C ATOM 0 H TRP A 514 4.946 8.221 3.538 1.00 0.57 H new ATOM 0 HA TRP A 514 6.311 8.069 6.197 1.00 0.57 H new ATOM 0 HB2 TRP A 514 5.852 6.008 5.912 1.00 0.57 H new ATOM 0 HB3 TRP A 514 5.696 6.119 4.170 1.00 0.57 H new ATOM 0 HD1 TRP A 514 7.846 5.932 2.721 1.00 0.57 H new ATOM 0 HE1 TRP A 514 9.348 3.829 2.822 1.00 0.57 H new ATOM 0 HE3 TRP A 514 7.989 5.431 7.789 1.00 0.57 H new ATOM 0 HZ2 TRP A 514 10.611 2.381 4.819 1.00 0.57 H new ATOM 0 HZ3 TRP A 514 9.663 3.824 8.736 1.00 0.57 H new ATOM 0 HH2 TRP A 514 10.922 2.304 7.274 1.00 0.57 H new ATOM 1350 N LYS A 515 8.561 8.572 5.381 1.00 0.60 N ATOM 1351 CA LYS A 515 9.781 9.350 5.406 1.00 0.60 C ATOM 1352 C LYS A 515 10.835 8.896 4.441 1.00 0.60 C ATOM 1353 O LYS A 515 11.467 9.708 3.775 1.00 0.60 O ATOM 1354 CB LYS A 515 10.340 9.394 6.851 1.00 0.60 C ATOM 1355 CG LYS A 515 9.327 10.023 7.824 1.00 0.60 C ATOM 1356 CD LYS A 515 9.845 10.103 9.265 1.00 0.60 C ATOM 1357 CE LYS A 515 8.813 10.700 10.232 1.00 0.60 C ATOM 1358 NZ LYS A 515 9.351 10.767 11.611 1.00 0.60 N ATOM 0 H LYS A 515 8.617 7.786 6.028 1.00 0.60 H new ATOM 0 HA LYS A 515 9.509 10.351 5.071 1.00 0.60 H new ATOM 0 HB2 LYS A 515 10.584 8.384 7.180 1.00 0.60 H new ATOM 0 HB3 LYS A 515 11.267 9.967 6.867 1.00 0.60 H new ATOM 0 HG2 LYS A 515 9.075 11.026 7.479 1.00 0.60 H new ATOM 0 HG3 LYS A 515 8.406 9.440 7.807 1.00 0.60 H new ATOM 0 HD2 LYS A 515 10.120 9.104 9.604 1.00 0.60 H new ATOM 0 HD3 LYS A 515 10.751 10.708 9.288 1.00 0.60 H new ATOM 0 HE2 LYS A 515 8.533 11.699 9.899 1.00 0.60 H new ATOM 0 HE3 LYS A 515 7.907 10.095 10.221 1.00 0.60 H new ATOM 0 HZ1 LYS A 515 8.633 11.174 12.244 1.00 0.60 H new ATOM 0 HZ2 LYS A 515 9.595 9.810 11.935 1.00 0.60 H new ATOM 0 HZ3 LYS A 515 10.202 11.364 11.623 1.00 0.60 H new ATOM 1372 N ALA A 516 11.036 7.555 4.348 1.00 0.54 N ATOM 1373 CA ALA A 516 12.119 6.911 3.586 1.00 0.54 C ATOM 1374 C ALA A 516 12.001 6.905 2.057 1.00 0.54 C ATOM 1375 O ALA A 516 12.850 6.396 1.331 1.00 0.54 O ATOM 1376 CB ALA A 516 12.378 5.490 4.133 1.00 0.54 C ATOM 0 H ALA A 516 10.429 6.882 4.816 1.00 0.54 H new ATOM 0 HA ALA A 516 12.979 7.560 3.753 1.00 0.54 H new ATOM 0 HB1 ALA A 516 13.181 5.021 3.563 1.00 0.54 H new ATOM 0 HB2 ALA A 516 12.666 5.551 5.183 1.00 0.54 H new ATOM 0 HB3 ALA A 516 11.471 4.893 4.040 1.00 0.54 H new ATOM 1382 N GLN A 517 10.931 7.523 1.542 1.00 0.69 N ATOM 1383 CA GLN A 517 10.651 7.736 0.140 1.00 0.69 C ATOM 1384 C GLN A 517 9.835 9.029 0.069 1.00 0.69 C ATOM 1385 O GLN A 517 8.720 9.102 0.581 1.00 0.69 O ATOM 1386 CB GLN A 517 9.886 6.541 -0.527 1.00 0.69 C ATOM 1387 CG GLN A 517 10.787 5.473 -1.205 1.00 0.69 C ATOM 1388 CD GLN A 517 9.936 4.385 -1.866 1.00 0.69 C ATOM 1389 OE1 GLN A 517 8.717 4.515 -1.991 1.00 0.69 O ATOM 1390 NE2 GLN A 517 10.601 3.257 -2.247 1.00 0.69 N ATOM 0 H GLN A 517 10.200 7.907 2.141 1.00 0.69 H new ATOM 0 HA GLN A 517 11.583 7.809 -0.421 1.00 0.69 H new ATOM 0 HB2 GLN A 517 9.278 6.050 0.233 1.00 0.69 H new ATOM 0 HB3 GLN A 517 9.200 6.941 -1.274 1.00 0.69 H new ATOM 0 HG2 GLN A 517 11.423 5.948 -1.952 1.00 0.69 H new ATOM 0 HG3 GLN A 517 11.448 5.024 -0.463 1.00 0.69 H new ATOM 0 HE21 GLN A 517 11.612 3.195 -2.124 1.00 0.69 H new ATOM 0 HE22 GLN A 517 10.088 2.476 -2.655 1.00 0.69 H new ATOM 1520 N ARG A 527 7.042 -4.196 -6.342 1.00 0.46 N ATOM 1521 CA ARG A 527 6.230 -5.255 -5.786 1.00 0.46 C ATOM 1522 C ARG A 527 5.962 -4.742 -4.392 1.00 0.46 C ATOM 1523 O ARG A 527 6.900 -4.487 -3.624 1.00 0.46 O ATOM 1524 CB ARG A 527 7.012 -6.594 -5.781 1.00 0.46 C ATOM 1525 CG ARG A 527 6.284 -7.791 -5.139 1.00 0.46 C ATOM 1526 CD ARG A 527 7.128 -9.076 -5.133 1.00 0.46 C ATOM 1527 NE ARG A 527 7.412 -9.477 -6.556 1.00 0.46 N ATOM 1528 CZ ARG A 527 8.303 -10.458 -6.901 1.00 0.46 C ATOM 1529 NH1 ARG A 527 9.004 -11.138 -5.949 1.00 0.46 N ATOM 1530 NH2 ARG A 527 8.489 -10.757 -8.221 1.00 0.46 N ATOM 0 HA ARG A 527 5.318 -5.469 -6.343 1.00 0.46 H new ATOM 0 HB2 ARG A 527 7.260 -6.853 -6.810 1.00 0.46 H new ATOM 0 HB3 ARG A 527 7.954 -6.441 -5.255 1.00 0.46 H new ATOM 0 HG2 ARG A 527 6.012 -7.537 -4.114 1.00 0.46 H new ATOM 0 HG3 ARG A 527 5.355 -7.976 -5.678 1.00 0.46 H new ATOM 0 HD2 ARG A 527 8.061 -8.912 -4.594 1.00 0.46 H new ATOM 0 HD3 ARG A 527 6.596 -9.874 -4.615 1.00 0.46 H new ATOM 0 HE ARG A 527 6.914 -8.992 -7.303 1.00 0.46 H new ATOM 0 HH11 ARG A 527 8.869 -10.919 -4.962 1.00 0.46 H new ATOM 0 HH12 ARG A 527 9.664 -11.866 -6.224 1.00 0.46 H new ATOM 0 HH21 ARG A 527 7.967 -10.252 -8.937 1.00 0.46 H new ATOM 0 HH22 ARG A 527 9.150 -11.486 -8.491 1.00 0.46 H new ATOM 1544 N THR A 528 4.665 -4.503 -4.080 1.00 0.24 N ATOM 1545 CA THR A 528 4.241 -3.796 -2.890 1.00 0.24 C ATOM 1546 C THR A 528 3.076 -4.537 -2.265 1.00 0.24 C ATOM 1547 O THR A 528 2.170 -5.004 -2.953 1.00 0.24 O ATOM 1548 CB THR A 528 3.773 -2.394 -3.320 1.00 0.24 C ATOM 1549 OG1 THR A 528 4.818 -1.626 -3.906 1.00 0.24 O ATOM 1550 CG2 THR A 528 3.235 -1.579 -2.149 1.00 0.24 C ATOM 0 H THR A 528 3.889 -4.808 -4.668 1.00 0.24 H new ATOM 0 HA THR A 528 5.056 -3.726 -2.170 1.00 0.24 H new ATOM 0 HB THR A 528 2.986 -2.582 -4.050 1.00 0.24 H new ATOM 0 HG1 THR A 528 4.472 -0.746 -4.164 1.00 0.24 H new ATOM 0 HG21 THR A 528 2.918 -0.598 -2.504 1.00 0.24 H new ATOM 0 HG22 THR A 528 2.385 -2.097 -1.705 1.00 0.24 H new ATOM 0 HG23 THR A 528 4.017 -1.458 -1.400 1.00 0.24 H new ATOM 1558 N ALA A 529 3.007 -4.629 -0.916 1.00 0.22 N ATOM 1559 CA ALA A 529 1.846 -5.267 -0.314 1.00 0.22 C ATOM 1560 C ALA A 529 1.617 -4.757 1.086 1.00 0.22 C ATOM 1561 O ALA A 529 2.569 -4.443 1.801 1.00 0.22 O ATOM 1562 CB ALA A 529 2.031 -6.803 -0.244 1.00 0.22 C ATOM 0 H ALA A 529 3.711 -4.284 -0.264 1.00 0.22 H new ATOM 0 HA ALA A 529 0.988 -5.026 -0.942 1.00 0.22 H new ATOM 0 HB1 ALA A 529 1.149 -7.255 0.210 1.00 0.22 H new ATOM 0 HB2 ALA A 529 2.165 -7.200 -1.250 1.00 0.22 H new ATOM 0 HB3 ALA A 529 2.909 -7.037 0.358 1.00 0.22 H new ATOM 1568 N LEU A 530 0.334 -4.727 1.555 1.00 0.44 N ATOM 1569 CA LEU A 530 -0.019 -4.482 2.943 1.00 0.44 C ATOM 1570 C LEU A 530 -0.275 -5.847 3.628 1.00 0.44 C ATOM 1571 O LEU A 530 -0.936 -6.746 3.084 1.00 0.44 O ATOM 1572 CB LEU A 530 -1.194 -3.439 3.001 1.00 0.44 C ATOM 1573 CG LEU A 530 -1.869 -3.081 4.357 1.00 0.44 C ATOM 1574 CD1 LEU A 530 -3.073 -4.013 4.615 1.00 0.44 C ATOM 1575 CD2 LEU A 530 -0.934 -3.031 5.568 1.00 0.44 C ATOM 0 H LEU A 530 -0.476 -4.877 0.954 1.00 0.44 H new ATOM 0 HA LEU A 530 0.785 -4.018 3.514 1.00 0.44 H new ATOM 0 HB2 LEU A 530 -0.820 -2.509 2.573 1.00 0.44 H new ATOM 0 HB3 LEU A 530 -1.979 -3.802 2.337 1.00 0.44 H new ATOM 0 HG LEU A 530 -2.209 -2.052 4.245 1.00 0.44 H new ATOM 0 HD11 LEU A 530 -3.537 -3.753 5.566 1.00 0.44 H new ATOM 0 HD12 LEU A 530 -3.801 -3.897 3.812 1.00 0.44 H new ATOM 0 HD13 LEU A 530 -2.732 -5.048 4.649 1.00 0.44 H new ATOM 0 HD21 LEU A 530 -1.506 -2.773 6.459 1.00 0.44 H new ATOM 0 HD22 LEU A 530 -0.466 -4.006 5.707 1.00 0.44 H new ATOM 0 HD23 LEU A 530 -0.163 -2.279 5.402 1.00 0.44 H new ATOM 1587 N ILE A 531 0.245 -5.970 4.894 1.00 0.48 N ATOM 1588 CA ILE A 531 0.126 -7.012 5.910 1.00 0.48 C ATOM 1589 C ILE A 531 -0.930 -6.482 6.841 1.00 0.48 C ATOM 1590 O ILE A 531 -0.701 -5.409 7.412 1.00 0.48 O ATOM 1591 CB ILE A 531 1.403 -7.158 6.768 1.00 0.48 C ATOM 1592 CG1 ILE A 531 2.638 -7.512 5.934 1.00 0.48 C ATOM 1593 CG2 ILE A 531 1.286 -8.139 7.941 1.00 0.48 C ATOM 1594 CD1 ILE A 531 2.438 -8.610 4.888 1.00 0.48 C ATOM 0 H ILE A 531 0.837 -5.220 5.250 1.00 0.48 H new ATOM 0 HA ILE A 531 -0.078 -7.973 5.437 1.00 0.48 H new ATOM 0 HB ILE A 531 1.526 -6.164 7.197 1.00 0.48 H new ATOM 0 HG12 ILE A 531 2.982 -6.611 5.427 1.00 0.48 H new ATOM 0 HG13 ILE A 531 3.435 -7.821 6.611 1.00 0.48 H new ATOM 0 HG21 ILE A 531 2.231 -8.173 8.483 1.00 0.48 H new ATOM 0 HG22 ILE A 531 0.494 -7.809 8.613 1.00 0.48 H new ATOM 0 HG23 ILE A 531 1.049 -9.133 7.562 1.00 0.48 H new ATOM 0 HD11 ILE A 531 3.374 -8.780 4.356 1.00 0.48 H new ATOM 0 HD12 ILE A 531 2.128 -9.531 5.382 1.00 0.48 H new ATOM 0 HD13 ILE A 531 1.669 -8.302 4.180 1.00 0.48 H new ATOM 1606 N ASN A 532 -2.059 -7.237 6.995 1.00 0.42 N ATOM 1607 CA ASN A 532 -3.271 -6.990 7.770 1.00 0.42 C ATOM 1608 C ASN A 532 -3.132 -6.658 9.242 1.00 0.42 C ATOM 1609 O ASN A 532 -2.062 -6.501 9.820 1.00 0.42 O ATOM 1610 CB ASN A 532 -4.353 -8.129 7.579 1.00 0.42 C ATOM 1611 CG ASN A 532 -4.348 -9.405 8.466 1.00 0.42 C ATOM 1612 OD1 ASN A 532 -3.461 -9.671 9.278 1.00 0.42 O ATOM 1613 ND2 ASN A 532 -5.422 -10.224 8.349 1.00 0.42 N ATOM 0 H ASN A 532 -2.128 -8.134 6.514 1.00 0.42 H new ATOM 0 HA ASN A 532 -3.604 -6.053 7.323 1.00 0.42 H new ATOM 0 HB2 ASN A 532 -5.330 -7.662 7.700 1.00 0.42 H new ATOM 0 HB3 ASN A 532 -4.284 -8.462 6.543 1.00 0.42 H new ATOM 0 HD21 ASN A 532 -5.494 -11.058 8.932 1.00 0.42 H new ATOM 0 HD22 ASN A 532 -6.158 -10.007 7.678 1.00 0.42 H new ATOM 1620 N SER A 533 -4.301 -6.622 9.912 1.00 0.53 N ATOM 1621 CA SER A 533 -4.505 -6.376 11.323 1.00 0.53 C ATOM 1622 C SER A 533 -4.080 -7.464 12.323 1.00 0.53 C ATOM 1623 O SER A 533 -4.327 -7.331 13.517 1.00 0.53 O ATOM 1624 CB SER A 533 -6.023 -6.116 11.534 1.00 0.53 C ATOM 1625 OG SER A 533 -6.873 -7.080 10.903 1.00 0.53 O ATOM 0 H SER A 533 -5.185 -6.778 9.428 1.00 0.53 H new ATOM 0 HA SER A 533 -3.845 -5.538 11.546 1.00 0.53 H new ATOM 0 HB2 SER A 533 -6.234 -6.106 12.603 1.00 0.53 H new ATOM 0 HB3 SER A 533 -6.268 -5.125 11.151 1.00 0.53 H new ATOM 0 HG SER A 533 -7.810 -6.855 11.079 1.00 0.53 H new ATOM 1631 N THR A 534 -3.471 -8.559 11.840 1.00 0.57 N ATOM 1632 CA THR A 534 -2.957 -9.678 12.647 1.00 0.57 C ATOM 1633 C THR A 534 -1.582 -10.129 12.160 1.00 0.57 C ATOM 1634 O THR A 534 -0.795 -10.716 12.898 1.00 0.57 O ATOM 1635 CB THR A 534 -3.905 -10.894 12.675 1.00 0.57 C ATOM 1636 OG1 THR A 534 -4.375 -11.255 11.377 1.00 0.57 O ATOM 1637 CG2 THR A 534 -5.142 -10.579 13.535 1.00 0.57 C ATOM 0 H THR A 534 -3.317 -8.694 10.841 1.00 0.57 H new ATOM 0 HA THR A 534 -2.881 -9.290 13.663 1.00 0.57 H new ATOM 0 HB THR A 534 -3.326 -11.721 13.087 1.00 0.57 H new ATOM 0 HG1 THR A 534 -3.951 -10.682 10.705 1.00 0.57 H new ATOM 0 HG21 THR A 534 -5.805 -11.444 13.549 1.00 0.57 H new ATOM 0 HG22 THR A 534 -4.828 -10.346 14.553 1.00 0.57 H new ATOM 0 HG23 THR A 534 -5.670 -9.723 13.114 1.00 0.57 H new ATOM 1645 N GLY A 535 -1.277 -9.876 10.872 1.00 0.49 N ATOM 1646 CA GLY A 535 -0.078 -10.262 10.165 1.00 0.49 C ATOM 1647 C GLY A 535 -0.216 -11.325 9.110 1.00 0.49 C ATOM 1648 O GLY A 535 0.671 -12.149 8.921 1.00 0.49 O ATOM 0 H GLY A 535 -1.919 -9.359 10.271 1.00 0.49 H new ATOM 0 HA2 GLY A 535 0.339 -9.371 9.695 1.00 0.49 H new ATOM 0 HA3 GLY A 535 0.651 -10.606 10.899 1.00 0.49 H new ATOM 1652 N GLU A 536 -1.321 -11.278 8.326 1.00 0.56 N ATOM 1653 CA GLU A 536 -1.575 -12.053 7.144 1.00 0.56 C ATOM 1654 C GLU A 536 -1.532 -11.012 6.058 1.00 0.56 C ATOM 1655 O GLU A 536 -2.111 -9.945 6.210 1.00 0.56 O ATOM 1656 CB GLU A 536 -2.980 -12.694 7.093 1.00 0.56 C ATOM 1657 CG GLU A 536 -3.112 -13.788 8.158 1.00 0.56 C ATOM 1658 CD GLU A 536 -4.581 -14.045 8.476 1.00 0.56 C ATOM 1659 OE1 GLU A 536 -5.327 -14.448 7.543 1.00 0.56 O ATOM 1660 OE2 GLU A 536 -4.979 -13.843 9.654 1.00 0.56 O ATOM 0 H GLU A 536 -2.094 -10.647 8.540 1.00 0.56 H new ATOM 0 HA GLU A 536 -0.865 -12.877 7.075 1.00 0.56 H new ATOM 0 HB2 GLU A 536 -3.740 -11.930 7.253 1.00 0.56 H new ATOM 0 HB3 GLU A 536 -3.157 -13.118 6.104 1.00 0.56 H new ATOM 0 HG2 GLU A 536 -2.644 -14.707 7.805 1.00 0.56 H new ATOM 0 HG3 GLU A 536 -2.584 -13.489 9.063 1.00 0.56 H new ATOM 1667 N GLU A 537 -0.905 -11.312 4.911 1.00 0.57 N ATOM 1668 CA GLU A 537 -0.910 -10.487 3.694 1.00 0.57 C ATOM 1669 C GLU A 537 -2.291 -10.531 3.045 1.00 0.57 C ATOM 1670 O GLU A 537 -2.847 -11.597 2.790 1.00 0.57 O ATOM 1671 CB GLU A 537 0.160 -10.897 2.668 1.00 0.57 C ATOM 1672 CG GLU A 537 0.451 -9.810 1.614 1.00 0.57 C ATOM 1673 CD GLU A 537 1.404 -10.363 0.556 1.00 0.57 C ATOM 1674 OE1 GLU A 537 0.950 -11.202 -0.267 1.00 0.57 O ATOM 1675 OE2 GLU A 537 2.596 -9.955 0.556 1.00 0.57 O ATOM 0 H GLU A 537 -0.360 -12.167 4.802 1.00 0.57 H new ATOM 0 HA GLU A 537 -0.666 -9.472 4.007 1.00 0.57 H new ATOM 0 HB2 GLU A 537 1.084 -11.137 3.195 1.00 0.57 H new ATOM 0 HB3 GLU A 537 -0.164 -11.806 2.161 1.00 0.57 H new ATOM 0 HG2 GLU A 537 -0.478 -9.485 1.146 1.00 0.57 H new ATOM 0 HG3 GLU A 537 0.891 -8.935 2.092 1.00 0.57 H new ATOM 1682 N VAL A 538 -2.888 -9.338 2.873 1.00 0.44 N ATOM 1683 CA VAL A 538 -4.278 -9.188 2.439 1.00 0.44 C ATOM 1684 C VAL A 538 -4.414 -8.552 1.083 1.00 0.44 C ATOM 1685 O VAL A 538 -4.701 -9.225 0.100 1.00 0.44 O ATOM 1686 CB VAL A 538 -5.188 -8.596 3.528 1.00 0.44 C ATOM 1687 CG1 VAL A 538 -5.361 -9.630 4.673 1.00 0.44 C ATOM 1688 CG2 VAL A 538 -4.752 -7.199 4.006 1.00 0.44 C ATOM 0 H VAL A 538 -2.413 -8.450 3.033 1.00 0.44 H new ATOM 0 HA VAL A 538 -4.661 -10.198 2.292 1.00 0.44 H new ATOM 0 HB VAL A 538 -6.169 -8.411 3.091 1.00 0.44 H new ATOM 0 HG11 VAL A 538 -6.006 -9.212 5.446 1.00 0.44 H new ATOM 0 HG12 VAL A 538 -5.812 -10.540 4.277 1.00 0.44 H new ATOM 0 HG13 VAL A 538 -4.387 -9.865 5.101 1.00 0.44 H new ATOM 0 HG21 VAL A 538 -5.441 -6.846 4.774 1.00 0.44 H new ATOM 0 HG22 VAL A 538 -3.745 -7.254 4.419 1.00 0.44 H new ATOM 0 HG23 VAL A 538 -4.761 -6.507 3.164 1.00 0.44 H new ATOM 1698 N ALA A 539 -4.218 -7.226 1.019 1.00 0.31 N ATOM 1699 CA ALA A 539 -4.344 -6.395 -0.159 1.00 0.31 C ATOM 1700 C ALA A 539 -2.953 -6.005 -0.621 1.00 0.31 C ATOM 1701 O ALA A 539 -2.171 -5.301 0.034 1.00 0.31 O ATOM 1702 CB ALA A 539 -5.307 -5.210 0.066 1.00 0.31 C ATOM 0 H ALA A 539 -3.952 -6.687 1.843 1.00 0.31 H new ATOM 0 HA ALA A 539 -4.814 -6.952 -0.969 1.00 0.31 H new ATOM 0 HB1 ALA A 539 -5.370 -4.614 -0.845 1.00 0.31 H new ATOM 0 HB2 ALA A 539 -6.297 -5.589 0.321 1.00 0.31 H new ATOM 0 HB3 ALA A 539 -4.935 -4.589 0.881 1.00 0.31 H new ATOM 1708 N MET A 540 -2.626 -6.566 -1.802 1.00 0.46 N ATOM 1709 CA MET A 540 -1.364 -6.523 -2.486 1.00 0.46 C ATOM 1710 C MET A 540 -1.463 -5.872 -3.856 1.00 0.46 C ATOM 1711 O MET A 540 -2.492 -6.003 -4.521 1.00 0.46 O ATOM 1712 CB MET A 540 -0.879 -8.000 -2.515 1.00 0.46 C ATOM 1713 CG MET A 540 -1.114 -8.897 -3.755 1.00 0.46 C ATOM 1714 SD MET A 540 0.385 -9.720 -4.365 1.00 0.46 S ATOM 1715 CE MET A 540 1.120 -8.235 -5.107 1.00 0.46 C ATOM 0 H MET A 540 -3.315 -7.103 -2.329 1.00 0.46 H new ATOM 0 HA MET A 540 -0.638 -5.889 -1.976 1.00 0.46 H new ATOM 0 HB2 MET A 540 0.195 -7.986 -2.331 1.00 0.46 H new ATOM 0 HB3 MET A 540 -1.341 -8.503 -1.666 1.00 0.46 H new ATOM 0 HG2 MET A 540 -1.857 -9.655 -3.507 1.00 0.46 H new ATOM 0 HG3 MET A 540 -1.534 -8.289 -4.556 1.00 0.46 H new ATOM 0 HE1 MET A 540 2.116 -8.470 -5.482 1.00 0.46 H new ATOM 0 HE2 MET A 540 0.494 -7.892 -5.931 1.00 0.46 H new ATOM 0 HE3 MET A 540 1.192 -7.450 -4.355 1.00 0.46 H new ATOM 1725 N ARG A 541 -0.383 -5.181 -4.328 1.00 0.63 N ATOM 1726 CA ARG A 541 -0.269 -4.569 -5.641 1.00 0.63 C ATOM 1727 C ARG A 541 1.110 -4.833 -6.272 1.00 0.63 C ATOM 1728 O ARG A 541 2.165 -4.646 -5.659 1.00 0.63 O ATOM 1729 CB ARG A 541 -0.526 -3.037 -5.538 1.00 0.63 C ATOM 1730 CG ARG A 541 0.163 -2.335 -4.344 1.00 0.63 C ATOM 1731 CD ARG A 541 -0.769 -2.103 -3.141 1.00 0.63 C ATOM 1732 NE ARG A 541 0.016 -1.664 -1.950 1.00 0.63 N ATOM 1733 CZ ARG A 541 -0.405 -1.819 -0.656 1.00 0.63 C ATOM 1734 NH1 ARG A 541 -1.624 -2.358 -0.377 1.00 0.63 N ATOM 1735 NH2 ARG A 541 0.404 -1.399 0.361 1.00 0.63 N ATOM 0 H ARG A 541 0.454 -5.043 -3.762 1.00 0.63 H new ATOM 0 HA ARG A 541 -1.022 -5.021 -6.287 1.00 0.63 H new ATOM 0 HB2 ARG A 541 -0.189 -2.565 -6.461 1.00 0.63 H new ATOM 0 HB3 ARG A 541 -1.601 -2.868 -5.468 1.00 0.63 H new ATOM 0 HG2 ARG A 541 1.014 -2.936 -4.023 1.00 0.63 H new ATOM 0 HG3 ARG A 541 0.558 -1.375 -4.677 1.00 0.63 H new ATOM 0 HD2 ARG A 541 -1.515 -1.348 -3.391 1.00 0.63 H new ATOM 0 HD3 ARG A 541 -1.310 -3.021 -2.910 1.00 0.63 H new ATOM 0 HE ARG A 541 0.921 -1.222 -2.109 1.00 0.63 H new ATOM 0 HH11 ARG A 541 -2.237 -2.653 -1.137 1.00 0.63 H new ATOM 0 HH12 ARG A 541 -1.924 -2.467 0.592 1.00 0.63 H new ATOM 0 HH21 ARG A 541 1.308 -0.976 0.152 1.00 0.63 H new ATOM 0 HH22 ARG A 541 0.104 -1.508 1.330 1.00 0.63 H new ATOM 1749 N LYS A 542 1.157 -5.257 -7.558 1.00 0.41 N ATOM 1750 CA LYS A 542 2.408 -5.489 -8.273 1.00 0.41 C ATOM 1751 C LYS A 542 2.274 -4.811 -9.622 1.00 0.41 C ATOM 1752 O LYS A 542 1.343 -5.091 -10.383 1.00 0.41 O ATOM 1753 CB LYS A 542 2.721 -7.006 -8.409 1.00 0.41 C ATOM 1754 CG LYS A 542 4.196 -7.356 -8.669 1.00 0.41 C ATOM 1755 CD LYS A 542 4.519 -8.865 -8.612 1.00 0.41 C ATOM 1756 CE LYS A 542 3.986 -9.737 -9.763 1.00 0.41 C ATOM 1757 NZ LYS A 542 2.549 -10.064 -9.618 1.00 0.41 N ATOM 0 H LYS A 542 0.324 -5.444 -8.116 1.00 0.41 H new ATOM 0 HA LYS A 542 3.250 -5.071 -7.721 1.00 0.41 H new ATOM 0 HB2 LYS A 542 2.402 -7.509 -7.496 1.00 0.41 H new ATOM 0 HB3 LYS A 542 2.120 -7.412 -9.223 1.00 0.41 H new ATOM 0 HG2 LYS A 542 4.479 -6.974 -9.650 1.00 0.41 H new ATOM 0 HG3 LYS A 542 4.813 -6.838 -7.935 1.00 0.41 H new ATOM 0 HD2 LYS A 542 5.602 -8.978 -8.575 1.00 0.41 H new ATOM 0 HD3 LYS A 542 4.125 -9.261 -7.676 1.00 0.41 H new ATOM 0 HE2 LYS A 542 4.142 -9.217 -10.708 1.00 0.41 H new ATOM 0 HE3 LYS A 542 4.561 -10.662 -9.809 1.00 0.41 H new ATOM 0 HZ1 LYS A 542 2.367 -11.010 -10.011 1.00 0.41 H new ATOM 0 HZ2 LYS A 542 2.290 -10.052 -8.611 1.00 0.41 H new ATOM 0 HZ3 LYS A 542 1.980 -9.361 -10.131 1.00 0.41 H new ATOM 1771 N LEU A 543 3.199 -3.880 -9.960 1.00 0.31 N ATOM 1772 CA LEU A 543 3.190 -3.176 -11.254 1.00 0.31 C ATOM 1773 C LEU A 543 4.603 -3.365 -11.744 1.00 0.31 C ATOM 1774 O LEU A 543 5.561 -3.117 -11.008 1.00 0.31 O ATOM 1775 CB LEU A 543 2.746 -1.701 -11.173 1.00 0.31 C ATOM 1776 CG LEU A 543 1.272 -1.526 -10.713 1.00 0.31 C ATOM 1777 CD1 LEU A 543 1.118 -0.647 -9.473 1.00 0.31 C ATOM 1778 CD2 LEU A 543 0.335 -0.985 -11.803 1.00 0.31 C ATOM 0 H LEU A 543 3.964 -3.602 -9.345 1.00 0.31 H new ATOM 0 HA LEU A 543 2.446 -3.577 -11.942 1.00 0.31 H new ATOM 0 HB2 LEU A 543 3.400 -1.170 -10.482 1.00 0.31 H new ATOM 0 HB3 LEU A 543 2.871 -1.237 -12.151 1.00 0.31 H new ATOM 0 HG LEU A 543 0.975 -2.546 -10.470 1.00 0.31 H new ATOM 0 HD11 LEU A 543 0.063 -0.570 -9.210 1.00 0.31 H new ATOM 0 HD12 LEU A 543 1.667 -1.090 -8.642 1.00 0.31 H new ATOM 0 HD13 LEU A 543 1.514 0.347 -9.680 1.00 0.31 H new ATOM 0 HD21 LEU A 543 -0.674 -0.892 -11.402 1.00 0.31 H new ATOM 0 HD22 LEU A 543 0.686 -0.007 -12.132 1.00 0.31 H new ATOM 0 HD23 LEU A 543 0.327 -1.672 -12.650 1.00 0.31 H new