USER MOD reduce.3.24.130724 H: found=0, std=0, add=743, rem=0, adj=22 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= 1.66 K(o=1.7,f=-10!) USER MOD Set 1.2: A 534 THR OG1 : rot 180:sc= 0.0809 USER MOD Set 2.1: A 463 SER OG : rot -62:sc= 0.023 USER MOD Set 2.2: A 488 THR OG1 : rot 7:sc= 0.146 USER MOD Set 3.1: A 468 GLN :FLIP amide:sc= 0 F(o=-1.3,f=-0.22) USER MOD Set 3.2: A 470 LYS NZ :NH3+ -135:sc= -0.224 (180deg=-1.35) USER MOD Set 4.1: A 436 THR OG1 : rot 107:sc= 1.3 USER MOD Set 4.2: A 457 LYS NZ :NH3+ 151:sc= -0.243 (180deg=-0.639) USER MOD Single : A 437 SER OG : rot -41:sc= 0.286 USER MOD Single : A 456 ASN : amide:sc= -1.45 K(o=-1.4,f=-8.4!) USER MOD Single : A 458 SER OG : rot 180:sc= -0.204 USER MOD Single : A 459 ASN : amide:sc= -0.0666 X(o=-0.067,f=-0.54) USER MOD Single : A 462 GLN : amide:sc= -5.23! C(o=-5.2!,f=-6.4!) USER MOD Single : A 464 MET CE :methyl 171:sc= -1.61 (180deg=-2.41) USER MOD Single : A 466 ASN : amide:sc= -0.133 X(o=-0.13,f=0) USER MOD Single : A 472 GLN : amide:sc= -0.0285 K(o=-0.029,f=-0.56) USER MOD Single : A 480 THR OG1 : rot 9:sc= 0.325 USER MOD Single : A 481 TYR OH : rot 91:sc= 1.31 USER MOD Single : A 486 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 490 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0112) USER MOD Single : A 493 GLN :FLIP amide:sc= -6.2! C(o=-6.9!,f=-6.2!) 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= -0.159 X(o=-0.16,f=0) USER MOD Single : A 507 SER OG : rot 180:sc= 0 USER MOD Single : A 510 THR OG1 : rot 5:sc= 1.22 USER MOD Single : A 515 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0316) USER MOD Single : A 517 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 528 THR OG1 : rot 180:sc= 0 USER MOD Single : A 533 SER OG : rot 180:sc= 0.0297 USER MOD Single : A 540 MET CE :methyl -154:sc= -0.442 (180deg=-1.31!) USER MOD Single : A 542 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 88 N ALA A 434 -3.060 -7.016 -9.523 1.00 0.55 N ATOM 89 CA ALA A 434 -3.290 -6.836 -8.110 1.00 0.55 C ATOM 90 C ALA A 434 -4.032 -8.004 -7.527 1.00 0.55 C ATOM 91 O ALA A 434 -4.537 -8.852 -8.258 1.00 0.55 O ATOM 92 CB ALA A 434 -3.917 -5.485 -7.816 1.00 0.55 C ATOM 0 HA ALA A 434 -2.328 -6.820 -7.599 1.00 0.55 H new ATOM 0 HB1 ALA A 434 -4.076 -5.384 -6.742 1.00 0.55 H new ATOM 0 HB2 ALA A 434 -3.252 -4.693 -8.161 1.00 0.55 H new ATOM 0 HB3 ALA A 434 -4.873 -5.407 -8.333 1.00 0.55 H new ATOM 98 N ARG A 435 -4.120 -8.034 -6.174 1.00 0.93 N ATOM 99 CA ARG A 435 -4.793 -9.037 -5.364 1.00 0.93 C ATOM 100 C ARG A 435 -5.216 -8.472 -4.027 1.00 0.93 C ATOM 101 O ARG A 435 -4.592 -7.603 -3.441 1.00 0.93 O ATOM 102 CB ARG A 435 -3.803 -10.230 -5.092 1.00 0.93 C ATOM 103 CG ARG A 435 -3.698 -11.323 -6.179 1.00 0.93 C ATOM 104 CD ARG A 435 -4.843 -12.356 -6.168 1.00 0.93 C ATOM 105 NE ARG A 435 -6.122 -11.712 -6.646 1.00 0.93 N ATOM 106 CZ ARG A 435 -7.343 -11.860 -6.038 1.00 0.93 C ATOM 107 NH1 ARG A 435 -7.494 -12.646 -4.934 1.00 0.93 N ATOM 108 NH2 ARG A 435 -8.424 -11.196 -6.545 1.00 0.93 N ATOM 0 H ARG A 435 -3.692 -7.307 -5.600 1.00 0.93 H new ATOM 0 HA ARG A 435 -5.677 -9.369 -5.908 1.00 0.93 H new ATOM 0 HB2 ARG A 435 -2.808 -9.814 -4.934 1.00 0.93 H new ATOM 0 HB3 ARG A 435 -4.100 -10.709 -4.159 1.00 0.93 H new ATOM 0 HG2 ARG A 435 -3.670 -10.842 -7.157 1.00 0.93 H new ATOM 0 HG3 ARG A 435 -2.751 -11.849 -6.056 1.00 0.93 H new ATOM 0 HD2 ARG A 435 -4.589 -13.200 -6.809 1.00 0.93 H new ATOM 0 HD3 ARG A 435 -4.979 -12.750 -5.161 1.00 0.93 H new ATOM 0 HE ARG A 435 -6.075 -11.126 -7.479 1.00 0.93 H new ATOM 0 HH11 ARG A 435 -6.690 -13.138 -4.544 1.00 0.93 H new ATOM 0 HH12 ARG A 435 -8.411 -12.742 -4.498 1.00 0.93 H new ATOM 0 HH21 ARG A 435 -8.317 -10.599 -7.365 1.00 0.93 H new ATOM 0 HH22 ARG A 435 -9.338 -11.297 -6.103 1.00 0.93 H new ATOM 122 N THR A 436 -6.342 -8.962 -3.466 1.00 0.95 N ATOM 123 CA THR A 436 -6.853 -8.533 -2.162 1.00 0.95 C ATOM 124 C THR A 436 -7.452 -9.729 -1.530 1.00 0.95 C ATOM 125 O THR A 436 -7.880 -10.655 -2.210 1.00 0.95 O ATOM 126 CB THR A 436 -7.801 -7.314 -2.115 1.00 0.95 C ATOM 127 OG1 THR A 436 -8.976 -7.351 -1.281 1.00 0.95 O ATOM 128 CG2 THR A 436 -8.370 -7.138 -3.483 1.00 0.95 C ATOM 0 H THR A 436 -6.921 -9.672 -3.915 1.00 0.95 H new ATOM 0 HA THR A 436 -6.001 -8.135 -1.611 1.00 0.95 H new ATOM 0 HB THR A 436 -7.153 -6.539 -1.705 1.00 0.95 H new ATOM 0 HG1 THR A 436 -8.840 -6.777 -0.498 1.00 0.95 H new ATOM 0 HG21 THR A 436 -9.047 -6.283 -3.488 1.00 0.95 H new ATOM 0 HG22 THR A 436 -7.562 -6.965 -4.194 1.00 0.95 H new ATOM 0 HG23 THR A 436 -8.918 -8.036 -3.768 1.00 0.95 H new ATOM 136 N SER A 437 -7.558 -9.664 -0.186 1.00 0.67 N ATOM 137 CA SER A 437 -8.201 -10.731 0.593 1.00 0.67 C ATOM 138 C SER A 437 -9.653 -10.467 0.980 1.00 0.67 C ATOM 139 O SER A 437 -10.271 -11.343 1.583 1.00 0.67 O ATOM 140 CB SER A 437 -7.397 -11.103 1.858 1.00 0.67 C ATOM 141 OG SER A 437 -7.725 -12.393 2.378 1.00 0.67 O ATOM 0 H SER A 437 -7.208 -8.887 0.375 1.00 0.67 H new ATOM 0 HA SER A 437 -8.209 -11.572 -0.100 1.00 0.67 H new ATOM 0 HB2 SER A 437 -6.333 -11.073 1.625 1.00 0.67 H new ATOM 0 HB3 SER A 437 -7.576 -10.352 2.628 1.00 0.67 H new ATOM 0 HG SER A 437 -8.694 -12.529 2.329 1.00 0.67 H new ATOM 147 N GLY A 438 -10.252 -9.293 0.652 1.00 0.59 N ATOM 148 CA GLY A 438 -11.660 -9.022 0.897 1.00 0.59 C ATOM 149 C GLY A 438 -11.703 -7.745 1.607 1.00 0.59 C ATOM 150 O GLY A 438 -11.529 -6.680 1.027 1.00 0.59 O ATOM 0 H GLY A 438 -9.757 -8.518 0.211 1.00 0.59 H new ATOM 0 HA2 GLY A 438 -12.216 -8.968 -0.039 1.00 0.59 H new ATOM 0 HA3 GLY A 438 -12.113 -9.815 1.492 1.00 0.59 H new ATOM 154 N ARG A 439 -11.904 -7.790 2.938 1.00 0.60 N ATOM 155 CA ARG A 439 -11.887 -6.741 3.951 1.00 0.60 C ATOM 156 C ARG A 439 -10.728 -5.718 3.972 1.00 0.60 C ATOM 157 O ARG A 439 -10.615 -4.933 4.915 1.00 0.60 O ATOM 158 CB ARG A 439 -12.260 -7.389 5.319 1.00 0.60 C ATOM 159 CG ARG A 439 -11.417 -8.595 5.772 1.00 0.60 C ATOM 160 CD ARG A 439 -9.974 -8.235 6.168 1.00 0.60 C ATOM 161 NE ARG A 439 -9.334 -9.352 6.952 1.00 0.60 N ATOM 162 CZ ARG A 439 -8.788 -10.472 6.384 1.00 0.60 C ATOM 163 NH1 ARG A 439 -8.842 -10.676 5.036 1.00 0.60 N ATOM 164 NH2 ARG A 439 -8.174 -11.396 7.180 1.00 0.60 N ATOM 0 H ARG A 439 -12.109 -8.688 3.376 1.00 0.60 H new ATOM 0 HA ARG A 439 -12.647 -6.020 3.652 1.00 0.60 H new ATOM 0 HB2 ARG A 439 -12.192 -6.620 6.088 1.00 0.60 H new ATOM 0 HB3 ARG A 439 -13.303 -7.702 5.273 1.00 0.60 H new ATOM 0 HG2 ARG A 439 -11.908 -9.071 6.621 1.00 0.60 H new ATOM 0 HG3 ARG A 439 -11.390 -9.329 4.967 1.00 0.60 H new ATOM 0 HD2 ARG A 439 -9.387 -8.032 5.272 1.00 0.60 H new ATOM 0 HD3 ARG A 439 -9.974 -7.322 6.763 1.00 0.60 H new ATOM 0 HE ARG A 439 -9.306 -9.268 7.968 1.00 0.60 H new ATOM 0 HH11 ARG A 439 -9.295 -9.988 4.434 1.00 0.60 H new ATOM 0 HH12 ARG A 439 -8.430 -11.516 4.630 1.00 0.60 H new ATOM 0 HH21 ARG A 439 -8.125 -11.249 8.188 1.00 0.60 H new ATOM 0 HH22 ARG A 439 -7.764 -12.234 6.767 1.00 0.60 H new ATOM 178 N VAL A 440 -9.885 -5.691 2.881 1.00 0.36 N ATOM 179 CA VAL A 440 -8.894 -4.697 2.525 1.00 0.36 C ATOM 180 C VAL A 440 -8.847 -4.814 1.035 1.00 0.36 C ATOM 181 O VAL A 440 -8.439 -5.870 0.591 1.00 0.36 O ATOM 182 CB VAL A 440 -7.458 -4.867 3.010 1.00 0.36 C ATOM 183 CG1 VAL A 440 -6.759 -3.514 2.774 1.00 0.36 C ATOM 184 CG2 VAL A 440 -7.512 -5.137 4.520 1.00 0.36 C ATOM 0 H VAL A 440 -9.912 -6.443 2.192 1.00 0.36 H new ATOM 0 HA VAL A 440 -9.203 -3.760 2.988 1.00 0.36 H new ATOM 0 HB VAL A 440 -6.937 -5.677 2.500 1.00 0.36 H new ATOM 0 HG11 VAL A 440 -5.722 -3.577 3.105 1.00 0.36 H new ATOM 0 HG12 VAL A 440 -6.787 -3.270 1.712 1.00 0.36 H new ATOM 0 HG13 VAL A 440 -7.273 -2.736 3.338 1.00 0.36 H new ATOM 0 HG21 VAL A 440 -6.500 -5.264 4.903 1.00 0.36 H new ATOM 0 HG22 VAL A 440 -7.987 -4.295 5.023 1.00 0.36 H new ATOM 0 HG23 VAL A 440 -8.087 -6.044 4.707 1.00 0.36 H new ATOM 194 N ALA A 441 -9.166 -3.805 0.214 1.00 0.28 N ATOM 195 CA ALA A 441 -8.949 -3.829 -1.227 1.00 0.28 C ATOM 196 C ALA A 441 -7.993 -2.732 -1.563 1.00 0.28 C ATOM 197 O ALA A 441 -8.020 -1.666 -0.949 1.00 0.28 O ATOM 198 CB ALA A 441 -10.227 -3.580 -2.077 1.00 0.28 C ATOM 0 H ALA A 441 -9.589 -2.937 0.544 1.00 0.28 H new ATOM 0 HA ALA A 441 -8.586 -4.829 -1.465 1.00 0.28 H new ATOM 0 HB1 ALA A 441 -9.972 -3.615 -3.136 1.00 0.28 H new ATOM 0 HB2 ALA A 441 -10.967 -4.349 -1.856 1.00 0.28 H new ATOM 0 HB3 ALA A 441 -10.639 -2.600 -1.836 1.00 0.28 H new ATOM 204 N VAL A 442 -7.179 -2.959 -2.640 1.00 0.46 N ATOM 205 CA VAL A 442 -6.324 -1.952 -3.267 1.00 0.46 C ATOM 206 C VAL A 442 -7.207 -1.305 -4.314 1.00 0.46 C ATOM 207 O VAL A 442 -7.373 -1.802 -5.427 1.00 0.46 O ATOM 208 CB VAL A 442 -4.970 -2.402 -3.806 1.00 0.46 C ATOM 209 CG1 VAL A 442 -4.101 -1.140 -3.851 1.00 0.46 C ATOM 210 CG2 VAL A 442 -4.260 -3.380 -2.857 1.00 0.46 C ATOM 0 H VAL A 442 -7.112 -3.872 -3.090 1.00 0.46 H new ATOM 0 HA VAL A 442 -5.976 -1.259 -2.501 1.00 0.46 H new ATOM 0 HB VAL A 442 -5.114 -2.894 -4.768 1.00 0.46 H new ATOM 0 HG11 VAL A 442 -3.111 -1.393 -4.230 1.00 0.46 H new ATOM 0 HG12 VAL A 442 -4.564 -0.403 -4.507 1.00 0.46 H new ATOM 0 HG13 VAL A 442 -4.010 -0.725 -2.847 1.00 0.46 H new ATOM 0 HG21 VAL A 442 -3.301 -3.671 -3.285 1.00 0.46 H new ATOM 0 HG22 VAL A 442 -4.096 -2.898 -1.893 1.00 0.46 H new ATOM 0 HG23 VAL A 442 -4.879 -4.266 -2.718 1.00 0.46 H new ATOM 220 N GLU A 443 -7.876 -0.204 -3.860 1.00 0.54 N ATOM 221 CA GLU A 443 -8.972 0.493 -4.507 1.00 0.54 C ATOM 222 C GLU A 443 -8.516 1.266 -5.739 1.00 0.54 C ATOM 223 O GLU A 443 -9.004 1.074 -6.853 1.00 0.54 O ATOM 224 CB GLU A 443 -9.627 1.466 -3.478 1.00 0.54 C ATOM 225 CG GLU A 443 -10.990 2.039 -3.933 1.00 0.54 C ATOM 226 CD GLU A 443 -11.457 3.215 -3.069 1.00 0.54 C ATOM 227 OE1 GLU A 443 -10.719 3.627 -2.136 1.00 0.54 O ATOM 228 OE2 GLU A 443 -12.575 3.727 -3.349 1.00 0.54 O ATOM 0 H GLU A 443 -7.628 0.230 -2.971 1.00 0.54 H new ATOM 0 HA GLU A 443 -9.696 -0.248 -4.846 1.00 0.54 H new ATOM 0 HB2 GLU A 443 -9.763 0.941 -2.533 1.00 0.54 H new ATOM 0 HB3 GLU A 443 -8.942 2.292 -3.288 1.00 0.54 H new ATOM 0 HG2 GLU A 443 -10.914 2.364 -4.971 1.00 0.54 H new ATOM 0 HG3 GLU A 443 -11.740 1.249 -3.900 1.00 0.54 H new ATOM 235 N GLU A 444 -7.519 2.157 -5.516 1.00 0.53 N ATOM 236 CA GLU A 444 -6.885 2.907 -6.564 1.00 0.53 C ATOM 237 C GLU A 444 -5.470 3.241 -6.237 1.00 0.53 C ATOM 238 O GLU A 444 -5.203 4.174 -5.493 1.00 0.53 O ATOM 239 CB GLU A 444 -7.703 4.165 -6.970 1.00 0.53 C ATOM 240 CG GLU A 444 -7.212 4.932 -8.216 1.00 0.53 C ATOM 241 CD GLU A 444 -7.243 4.028 -9.449 1.00 0.53 C ATOM 242 OE1 GLU A 444 -8.354 3.549 -9.805 1.00 0.53 O ATOM 243 OE2 GLU A 444 -6.160 3.806 -10.052 1.00 0.53 O ATOM 0 H GLU A 444 -7.148 2.358 -4.587 1.00 0.53 H new ATOM 0 HA GLU A 444 -6.862 2.257 -7.439 1.00 0.53 H new ATOM 0 HB2 GLU A 444 -8.735 3.860 -7.142 1.00 0.53 H new ATOM 0 HB3 GLU A 444 -7.710 4.854 -6.126 1.00 0.53 H new ATOM 0 HG2 GLU A 444 -7.841 5.806 -8.383 1.00 0.53 H new ATOM 0 HG3 GLU A 444 -6.198 5.296 -8.050 1.00 0.53 H new ATOM 250 N VAL A 445 -4.467 2.548 -6.847 1.00 0.50 N ATOM 251 CA VAL A 445 -3.077 2.984 -6.766 1.00 0.50 C ATOM 252 C VAL A 445 -2.843 3.937 -7.922 1.00 0.50 C ATOM 253 O VAL A 445 -3.239 3.726 -9.068 1.00 0.50 O ATOM 254 CB VAL A 445 -1.971 1.957 -6.606 1.00 0.50 C ATOM 255 CG1 VAL A 445 -2.376 1.063 -5.430 1.00 0.50 C ATOM 256 CG2 VAL A 445 -1.736 1.132 -7.874 1.00 0.50 C ATOM 0 H VAL A 445 -4.611 1.697 -7.390 1.00 0.50 H new ATOM 0 HA VAL A 445 -2.982 3.459 -5.790 1.00 0.50 H new ATOM 0 HB VAL A 445 -1.023 2.461 -6.419 1.00 0.50 H new ATOM 0 HG11 VAL A 445 -1.611 0.303 -5.271 1.00 0.50 H new ATOM 0 HG12 VAL A 445 -2.478 1.670 -4.530 1.00 0.50 H new ATOM 0 HG13 VAL A 445 -3.328 0.580 -5.651 1.00 0.50 H new ATOM 0 HG21 VAL A 445 -0.934 0.415 -7.698 1.00 0.50 H new ATOM 0 HG22 VAL A 445 -2.650 0.598 -8.135 1.00 0.50 H new ATOM 0 HG23 VAL A 445 -1.457 1.795 -8.693 1.00 0.50 H new ATOM 266 N ASP A 446 -2.217 5.066 -7.588 1.00 0.41 N ATOM 267 CA ASP A 446 -1.940 6.207 -8.407 1.00 0.41 C ATOM 268 C ASP A 446 -0.517 5.986 -8.864 1.00 0.41 C ATOM 269 O ASP A 446 0.412 6.178 -8.078 1.00 0.41 O ATOM 270 CB ASP A 446 -2.191 7.431 -7.485 1.00 0.41 C ATOM 271 CG ASP A 446 -3.504 8.108 -7.885 1.00 0.41 C ATOM 272 OD1 ASP A 446 -4.579 7.482 -7.681 1.00 0.41 O ATOM 273 OD2 ASP A 446 -3.448 9.257 -8.401 1.00 0.41 O ATOM 0 H ASP A 446 -1.864 5.199 -6.640 1.00 0.41 H new ATOM 0 HA ASP A 446 -2.546 6.367 -9.299 1.00 0.41 H new ATOM 0 HB2 ASP A 446 -2.236 7.113 -6.444 1.00 0.41 H new ATOM 0 HB3 ASP A 446 -1.365 8.137 -7.567 1.00 0.41 H new ATOM 337 N PHE A 451 0.972 7.264 -5.034 1.00 0.31 N ATOM 338 CA PHE A 451 0.286 6.966 -3.787 1.00 0.31 C ATOM 339 C PHE A 451 -0.599 5.771 -3.940 1.00 0.31 C ATOM 340 O PHE A 451 -1.031 5.429 -5.031 1.00 0.31 O ATOM 341 CB PHE A 451 -0.387 8.159 -3.012 1.00 0.31 C ATOM 342 CG PHE A 451 -0.798 9.309 -3.885 1.00 0.31 C ATOM 343 CD1 PHE A 451 -2.010 9.322 -4.591 1.00 0.31 C ATOM 344 CD2 PHE A 451 0.062 10.412 -3.990 1.00 0.31 C ATOM 345 CE1 PHE A 451 -2.341 10.418 -5.404 1.00 0.31 C ATOM 346 CE2 PHE A 451 -0.242 11.480 -4.830 1.00 0.31 C ATOM 347 CZ PHE A 451 -1.446 11.488 -5.529 1.00 0.31 C ATOM 0 HA PHE A 451 1.095 6.725 -3.097 1.00 0.31 H new ATOM 0 HB2 PHE A 451 -1.265 7.786 -2.486 1.00 0.31 H new ATOM 0 HB3 PHE A 451 0.308 8.523 -2.255 1.00 0.31 H new ATOM 0 HD1 PHE A 451 -2.690 8.487 -4.509 1.00 0.31 H new ATOM 0 HD2 PHE A 451 0.973 10.433 -3.411 1.00 0.31 H new ATOM 0 HE1 PHE A 451 -3.283 10.436 -5.932 1.00 0.31 H new ATOM 0 HE2 PHE A 451 0.453 12.299 -4.939 1.00 0.31 H new ATOM 0 HZ PHE A 451 -1.691 12.322 -6.170 1.00 0.31 H new ATOM 357 N VAL A 452 -0.867 5.075 -2.809 1.00 0.26 N ATOM 358 CA VAL A 452 -1.692 3.885 -2.722 1.00 0.26 C ATOM 359 C VAL A 452 -3.031 4.222 -2.088 1.00 0.26 C ATOM 360 O VAL A 452 -3.085 4.435 -0.874 1.00 0.26 O ATOM 361 CB VAL A 452 -0.931 2.852 -1.869 1.00 0.26 C ATOM 362 CG1 VAL A 452 -1.747 1.673 -1.318 1.00 0.26 C ATOM 363 CG2 VAL A 452 0.137 2.187 -2.739 1.00 0.26 C ATOM 0 H VAL A 452 -0.490 5.354 -1.904 1.00 0.26 H new ATOM 0 HA VAL A 452 -1.890 3.480 -3.715 1.00 0.26 H new ATOM 0 HB VAL A 452 -0.570 3.440 -1.025 1.00 0.26 H new ATOM 0 HG11 VAL A 452 -1.096 1.020 -0.736 1.00 0.26 H new ATOM 0 HG12 VAL A 452 -2.546 2.050 -0.680 1.00 0.26 H new ATOM 0 HG13 VAL A 452 -2.179 1.111 -2.146 1.00 0.26 H new ATOM 0 HG21 VAL A 452 0.683 1.453 -2.147 1.00 0.26 H new ATOM 0 HG22 VAL A 452 -0.340 1.690 -3.584 1.00 0.26 H new ATOM 0 HG23 VAL A 452 0.829 2.944 -3.107 1.00 0.26 H new ATOM 373 N ARG A 453 -4.183 4.233 -2.843 1.00 0.58 N ATOM 374 CA ARG A 453 -5.490 4.352 -2.143 1.00 0.58 C ATOM 375 C ARG A 453 -6.068 2.982 -1.731 1.00 0.58 C ATOM 376 O ARG A 453 -6.448 2.161 -2.575 1.00 0.58 O ATOM 377 CB ARG A 453 -6.564 5.139 -2.945 1.00 0.58 C ATOM 378 CG ARG A 453 -7.818 5.540 -2.139 1.00 0.58 C ATOM 379 CD ARG A 453 -8.845 6.343 -2.956 1.00 0.58 C ATOM 380 NE ARG A 453 -8.245 7.652 -3.401 1.00 0.58 N ATOM 381 CZ ARG A 453 -8.228 8.789 -2.636 1.00 0.58 C ATOM 382 NH1 ARG A 453 -8.787 8.812 -1.392 1.00 0.58 N ATOM 383 NH2 ARG A 453 -7.640 9.918 -3.130 1.00 0.58 N ATOM 0 H ARG A 453 -4.227 4.166 -3.860 1.00 0.58 H new ATOM 0 HA ARG A 453 -5.257 4.927 -1.247 1.00 0.58 H new ATOM 0 HB2 ARG A 453 -6.105 6.042 -3.347 1.00 0.58 H new ATOM 0 HB3 ARG A 453 -6.876 4.534 -3.796 1.00 0.58 H new ATOM 0 HG2 ARG A 453 -8.296 4.639 -1.755 1.00 0.58 H new ATOM 0 HG3 ARG A 453 -7.511 6.131 -1.276 1.00 0.58 H new ATOM 0 HD2 ARG A 453 -9.162 5.766 -3.825 1.00 0.58 H new ATOM 0 HD3 ARG A 453 -9.735 6.528 -2.354 1.00 0.58 H new ATOM 0 HE ARG A 453 -7.825 7.694 -4.330 1.00 0.58 H new ATOM 0 HH11 ARG A 453 -9.228 7.973 -1.015 1.00 0.58 H new ATOM 0 HH12 ARG A 453 -8.764 9.668 -0.838 1.00 0.58 H new ATOM 0 HH21 ARG A 453 -7.220 9.909 -4.059 1.00 0.58 H new ATOM 0 HH22 ARG A 453 -7.621 10.770 -2.570 1.00 0.58 H new ATOM 397 N LEU A 454 -6.185 2.701 -0.396 1.00 0.66 N ATOM 398 CA LEU A 454 -6.790 1.520 0.167 1.00 0.66 C ATOM 399 C LEU A 454 -8.209 1.867 0.613 1.00 0.66 C ATOM 400 O LEU A 454 -8.628 3.017 0.707 1.00 0.66 O ATOM 401 CB LEU A 454 -5.855 0.948 1.316 1.00 0.66 C ATOM 402 CG LEU A 454 -4.613 0.169 0.784 1.00 0.66 C ATOM 403 CD1 LEU A 454 -3.558 -0.351 1.775 1.00 0.66 C ATOM 404 CD2 LEU A 454 -5.076 -1.028 -0.021 1.00 0.66 C ATOM 0 H LEU A 454 -5.836 3.338 0.320 1.00 0.66 H new ATOM 0 HA LEU A 454 -6.883 0.717 -0.564 1.00 0.66 H new ATOM 0 HB2 LEU A 454 -5.515 1.774 1.940 1.00 0.66 H new ATOM 0 HB3 LEU A 454 -6.441 0.287 1.954 1.00 0.66 H new ATOM 0 HG LEU A 454 -4.098 0.948 0.222 1.00 0.66 H new ATOM 0 HD11 LEU A 454 -2.768 -0.867 1.228 1.00 0.66 H new ATOM 0 HD12 LEU A 454 -3.131 0.488 2.325 1.00 0.66 H new ATOM 0 HD13 LEU A 454 -4.026 -1.043 2.475 1.00 0.66 H new ATOM 0 HD21 LEU A 454 -4.209 -1.573 -0.393 1.00 0.66 H new ATOM 0 HD22 LEU A 454 -5.673 -1.684 0.613 1.00 0.66 H new ATOM 0 HD23 LEU A 454 -5.680 -0.689 -0.862 1.00 0.66 H new ATOM 416 N ARG A 455 -9.004 0.822 0.853 1.00 0.51 N ATOM 417 CA ARG A 455 -10.379 0.811 1.282 1.00 0.51 C ATOM 418 C ARG A 455 -10.493 -0.570 1.858 1.00 0.51 C ATOM 419 O ARG A 455 -9.602 -1.379 1.631 1.00 0.51 O ATOM 420 CB ARG A 455 -11.354 1.005 0.086 1.00 0.51 C ATOM 421 CG ARG A 455 -12.857 1.094 0.411 1.00 0.51 C ATOM 422 CD ARG A 455 -13.704 1.603 -0.761 1.00 0.51 C ATOM 423 NE ARG A 455 -15.133 1.673 -0.295 1.00 0.51 N ATOM 424 CZ ARG A 455 -16.122 2.311 -0.993 1.00 0.51 C ATOM 425 NH1 ARG A 455 -15.859 2.922 -2.185 1.00 0.51 N ATOM 426 NH2 ARG A 455 -17.389 2.339 -0.484 1.00 0.51 N ATOM 0 H ARG A 455 -8.651 -0.128 0.736 1.00 0.51 H new ATOM 0 HA ARG A 455 -10.635 1.612 1.976 1.00 0.51 H new ATOM 0 HB2 ARG A 455 -11.067 1.916 -0.439 1.00 0.51 H new ATOM 0 HB3 ARG A 455 -11.207 0.177 -0.608 1.00 0.51 H new ATOM 0 HG2 ARG A 455 -13.216 0.109 0.708 1.00 0.51 H new ATOM 0 HG3 ARG A 455 -12.998 1.756 1.266 1.00 0.51 H new ATOM 0 HD2 ARG A 455 -13.359 2.585 -1.085 1.00 0.51 H new ATOM 0 HD3 ARG A 455 -13.613 0.935 -1.617 1.00 0.51 H new ATOM 0 HE ARG A 455 -15.377 1.222 0.587 1.00 0.51 H new ATOM 0 HH11 ARG A 455 -14.914 2.907 -2.568 1.00 0.51 H new ATOM 0 HH12 ARG A 455 -16.608 3.393 -2.693 1.00 0.51 H new ATOM 0 HH21 ARG A 455 -17.590 1.887 0.408 1.00 0.51 H new ATOM 0 HH22 ARG A 455 -18.134 2.812 -0.996 1.00 0.51 H new ATOM 440 N ASN A 456 -11.556 -0.915 2.601 1.00 0.49 N ATOM 441 CA ASN A 456 -11.851 -2.315 2.966 1.00 0.49 C ATOM 442 C ASN A 456 -12.871 -2.830 1.915 1.00 0.49 C ATOM 443 O ASN A 456 -13.786 -2.071 1.612 1.00 0.49 O ATOM 444 CB ASN A 456 -12.306 -2.358 4.451 1.00 0.49 C ATOM 445 CG ASN A 456 -13.365 -3.350 4.914 1.00 0.49 C ATOM 446 OD1 ASN A 456 -14.447 -3.379 4.337 1.00 0.49 O ATOM 447 ND2 ASN A 456 -13.143 -4.085 6.019 1.00 0.49 N ATOM 0 H ASN A 456 -12.231 -0.242 2.964 1.00 0.49 H new ATOM 0 HA ASN A 456 -10.994 -2.988 2.930 1.00 0.49 H new ATOM 0 HB2 ASN A 456 -11.415 -2.536 5.054 1.00 0.49 H new ATOM 0 HB3 ASN A 456 -12.668 -1.362 4.704 1.00 0.49 H new ATOM 0 HD21 ASN A 456 -13.882 -4.681 6.392 1.00 0.49 H new ATOM 0 HD22 ASN A 456 -12.236 -4.046 6.484 1.00 0.49 H new ATOM 454 N LYS A 457 -12.824 -4.063 1.308 1.00 0.45 N ATOM 455 CA LYS A 457 -13.887 -4.432 0.351 1.00 0.45 C ATOM 456 C LYS A 457 -14.911 -5.359 0.953 1.00 0.45 C ATOM 457 O LYS A 457 -16.104 -5.106 0.812 1.00 0.45 O ATOM 458 CB LYS A 457 -13.286 -4.898 -0.999 1.00 0.45 C ATOM 459 CG LYS A 457 -14.235 -5.315 -2.138 1.00 0.45 C ATOM 460 CD LYS A 457 -14.332 -6.836 -2.366 1.00 0.45 C ATOM 461 CE LYS A 457 -13.231 -7.447 -3.256 1.00 0.45 C ATOM 462 NZ LYS A 457 -11.903 -7.464 -2.600 1.00 0.45 N ATOM 0 H LYS A 457 -12.103 -4.768 1.461 1.00 0.45 H new ATOM 0 HA LYS A 457 -14.462 -3.537 0.114 1.00 0.45 H new ATOM 0 HB2 LYS A 457 -12.657 -4.091 -1.375 1.00 0.45 H new ATOM 0 HB3 LYS A 457 -12.630 -5.743 -0.792 1.00 0.45 H new ATOM 0 HG2 LYS A 457 -15.231 -4.929 -1.923 1.00 0.45 H new ATOM 0 HG3 LYS A 457 -13.902 -4.843 -3.062 1.00 0.45 H new ATOM 0 HD2 LYS A 457 -14.308 -7.333 -1.396 1.00 0.45 H new ATOM 0 HD3 LYS A 457 -15.301 -7.057 -2.814 1.00 0.45 H new ATOM 0 HE2 LYS A 457 -13.511 -8.466 -3.524 1.00 0.45 H new ATOM 0 HE3 LYS A 457 -13.165 -6.880 -4.184 1.00 0.45 H new ATOM 0 HZ1 LYS A 457 -11.346 -8.263 -2.965 1.00 0.45 H new ATOM 0 HZ2 LYS A 457 -11.405 -6.574 -2.802 1.00 0.45 H new ATOM 0 HZ3 LYS A 457 -12.025 -7.568 -1.572 1.00 0.45 H new ATOM 476 N SER A 458 -14.496 -6.400 1.724 1.00 0.34 N ATOM 477 CA SER A 458 -15.446 -7.188 2.554 1.00 0.34 C ATOM 478 C SER A 458 -15.616 -6.568 3.942 1.00 0.34 C ATOM 479 O SER A 458 -14.777 -5.928 4.543 1.00 0.34 O ATOM 480 CB SER A 458 -15.289 -8.742 2.656 1.00 0.34 C ATOM 481 OG SER A 458 -14.190 -9.231 3.419 1.00 0.34 O ATOM 0 H SER A 458 -13.526 -6.709 1.788 1.00 0.34 H new ATOM 0 HA SER A 458 -16.353 -7.105 1.955 1.00 0.34 H new ATOM 0 HB2 SER A 458 -16.206 -9.148 3.083 1.00 0.34 H new ATOM 0 HB3 SER A 458 -15.204 -9.141 1.645 1.00 0.34 H new ATOM 0 HG SER A 458 -14.197 -10.211 3.412 1.00 0.34 H new ATOM 487 N ASN A 459 -16.801 -6.707 4.493 1.00 0.49 N ATOM 488 CA ASN A 459 -17.372 -5.997 5.605 1.00 0.49 C ATOM 489 C ASN A 459 -16.986 -6.363 7.038 1.00 0.49 C ATOM 490 O ASN A 459 -17.822 -6.400 7.942 1.00 0.49 O ATOM 491 CB ASN A 459 -18.883 -5.962 5.327 1.00 0.49 C ATOM 492 CG ASN A 459 -19.532 -7.336 5.330 1.00 0.49 C ATOM 493 OD1 ASN A 459 -19.622 -8.028 4.317 1.00 0.49 O ATOM 494 ND2 ASN A 459 -19.969 -7.718 6.551 1.00 0.49 N ATOM 0 H ASN A 459 -17.457 -7.398 4.128 1.00 0.49 H new ATOM 0 HA ASN A 459 -16.909 -5.011 5.628 1.00 0.49 H new ATOM 0 HB2 ASN A 459 -19.368 -5.338 6.078 1.00 0.49 H new ATOM 0 HB3 ASN A 459 -19.056 -5.490 4.360 1.00 0.49 H new ATOM 0 HD21 ASN A 459 -20.405 -8.632 6.674 1.00 0.49 H new ATOM 0 HD22 ASN A 459 -19.862 -7.093 7.350 1.00 0.49 H new ATOM 501 N GLU A 460 -15.687 -6.592 7.265 1.00 0.74 N ATOM 502 CA GLU A 460 -15.127 -6.872 8.578 1.00 0.74 C ATOM 503 C GLU A 460 -14.179 -5.751 8.971 1.00 0.74 C ATOM 504 O GLU A 460 -13.157 -5.568 8.316 1.00 0.74 O ATOM 505 CB GLU A 460 -14.379 -8.226 8.617 1.00 0.74 C ATOM 506 CG GLU A 460 -15.242 -9.419 8.168 1.00 0.74 C ATOM 507 CD GLU A 460 -14.400 -10.693 8.186 1.00 0.74 C ATOM 508 OE1 GLU A 460 -13.964 -11.101 9.297 1.00 0.74 O ATOM 509 OE2 GLU A 460 -14.180 -11.275 7.090 1.00 0.74 O ATOM 0 H GLU A 460 -14.988 -6.586 6.522 1.00 0.74 H new ATOM 0 HA GLU A 460 -15.953 -6.935 9.286 1.00 0.74 H new ATOM 0 HB2 GLU A 460 -13.499 -8.164 7.977 1.00 0.74 H new ATOM 0 HB3 GLU A 460 -14.024 -8.406 9.632 1.00 0.74 H new ATOM 0 HG2 GLU A 460 -16.101 -9.529 8.830 1.00 0.74 H new ATOM 0 HG3 GLU A 460 -15.632 -9.242 7.166 1.00 0.74 H new ATOM 516 N ASP A 461 -14.490 -5.000 10.072 1.00 0.65 N ATOM 517 CA ASP A 461 -13.730 -3.912 10.720 1.00 0.65 C ATOM 518 C ASP A 461 -12.326 -4.340 11.150 1.00 0.65 C ATOM 519 O ASP A 461 -12.133 -5.064 12.120 1.00 0.65 O ATOM 520 CB ASP A 461 -14.440 -3.300 11.970 1.00 0.65 C ATOM 521 CG ASP A 461 -15.939 -3.105 11.725 1.00 0.65 C ATOM 522 OD1 ASP A 461 -16.301 -2.247 10.878 1.00 0.65 O ATOM 523 OD2 ASP A 461 -16.742 -3.813 12.389 1.00 0.65 O ATOM 0 H ASP A 461 -15.366 -5.167 10.567 1.00 0.65 H new ATOM 0 HA ASP A 461 -13.668 -3.153 9.940 1.00 0.65 H new ATOM 0 HB2 ASP A 461 -14.293 -3.954 12.830 1.00 0.65 H new ATOM 0 HB3 ASP A 461 -13.983 -2.342 12.216 1.00 0.65 H new ATOM 528 N GLN A 462 -11.319 -3.926 10.365 1.00 0.44 N ATOM 529 CA GLN A 462 -9.933 -4.386 10.441 1.00 0.44 C ATOM 530 C GLN A 462 -8.972 -3.414 11.141 1.00 0.44 C ATOM 531 O GLN A 462 -8.853 -2.266 10.735 1.00 0.44 O ATOM 532 CB GLN A 462 -9.603 -4.832 8.990 1.00 0.44 C ATOM 533 CG GLN A 462 -8.305 -5.631 8.722 1.00 0.44 C ATOM 534 CD GLN A 462 -7.069 -4.760 8.503 1.00 0.44 C ATOM 535 OE1 GLN A 462 -5.942 -5.236 8.379 1.00 0.44 O ATOM 536 NE2 GLN A 462 -7.329 -3.430 8.454 1.00 0.44 N ATOM 0 H GLN A 462 -11.460 -3.232 9.631 1.00 0.44 H new ATOM 0 HA GLN A 462 -9.793 -5.229 11.118 1.00 0.44 H new ATOM 0 HB2 GLN A 462 -10.439 -5.435 8.634 1.00 0.44 H new ATOM 0 HB3 GLN A 462 -9.570 -3.936 8.371 1.00 0.44 H new ATOM 0 HG2 GLN A 462 -8.121 -6.298 9.564 1.00 0.44 H new ATOM 0 HG3 GLN A 462 -8.453 -6.260 7.844 1.00 0.44 H new ATOM 0 HE21 GLN A 462 -8.285 -3.093 8.563 1.00 0.44 H new ATOM 0 HE22 GLN A 462 -6.568 -2.767 8.308 1.00 0.44 H new ATOM 545 N SER A 463 -8.239 -3.833 12.216 1.00 0.49 N ATOM 546 CA SER A 463 -7.323 -2.997 13.026 1.00 0.49 C ATOM 547 C SER A 463 -6.006 -2.505 12.419 1.00 0.49 C ATOM 548 O SER A 463 -4.956 -3.123 12.604 1.00 0.49 O ATOM 549 CB SER A 463 -6.987 -3.616 14.407 1.00 0.49 C ATOM 550 OG SER A 463 -8.168 -4.048 15.077 1.00 0.49 O ATOM 0 H SER A 463 -8.277 -4.797 12.547 1.00 0.49 H new ATOM 0 HA SER A 463 -7.955 -2.112 13.098 1.00 0.49 H new ATOM 0 HB2 SER A 463 -6.310 -4.460 14.275 1.00 0.49 H new ATOM 0 HB3 SER A 463 -6.465 -2.882 15.021 1.00 0.49 H new ATOM 0 HG SER A 463 -8.752 -3.278 15.241 1.00 0.49 H new ATOM 556 N MET A 464 -6.006 -1.315 11.738 1.00 0.50 N ATOM 557 CA MET A 464 -4.802 -0.699 11.117 1.00 0.50 C ATOM 558 C MET A 464 -3.810 -0.011 12.038 1.00 0.50 C ATOM 559 O MET A 464 -2.842 0.606 11.605 1.00 0.50 O ATOM 560 CB MET A 464 -4.990 0.200 9.863 1.00 0.50 C ATOM 561 CG MET A 464 -6.193 -0.205 9.031 1.00 0.50 C ATOM 562 SD MET A 464 -6.476 0.717 7.496 1.00 0.50 S ATOM 563 CE MET A 464 -5.159 1.960 7.429 1.00 0.50 C ATOM 0 H MET A 464 -6.851 -0.759 11.608 1.00 0.50 H new ATOM 0 HA MET A 464 -4.378 -1.646 10.784 1.00 0.50 H new ATOM 0 HB2 MET A 464 -5.103 1.237 10.178 1.00 0.50 H new ATOM 0 HB3 MET A 464 -4.093 0.150 9.246 1.00 0.50 H new ATOM 0 HG2 MET A 464 -6.091 -1.261 8.779 1.00 0.50 H new ATOM 0 HG3 MET A 464 -7.083 -0.110 9.653 1.00 0.50 H new ATOM 0 HE1 MET A 464 -5.169 2.449 6.455 1.00 0.50 H new ATOM 0 HE2 MET A 464 -5.320 2.703 8.210 1.00 0.50 H new ATOM 0 HE3 MET A 464 -4.194 1.476 7.582 1.00 0.50 H new ATOM 573 N GLY A 465 -3.945 -0.226 13.363 1.00 0.39 N ATOM 574 CA GLY A 465 -2.878 0.049 14.304 1.00 0.39 C ATOM 575 C GLY A 465 -1.790 -1.008 14.287 1.00 0.39 C ATOM 576 O GLY A 465 -0.669 -0.782 14.712 1.00 0.39 O ATOM 0 H GLY A 465 -4.795 -0.592 13.792 1.00 0.39 H new ATOM 0 HA2 GLY A 465 -2.438 1.020 14.074 1.00 0.39 H new ATOM 0 HA3 GLY A 465 -3.295 0.118 15.309 1.00 0.39 H new ATOM 580 N ASN A 466 -2.114 -2.221 13.797 1.00 0.33 N ATOM 581 CA ASN A 466 -1.229 -3.374 13.747 1.00 0.33 C ATOM 582 C ASN A 466 -0.657 -3.681 12.354 1.00 0.33 C ATOM 583 O ASN A 466 -0.133 -4.770 12.133 1.00 0.33 O ATOM 584 CB ASN A 466 -1.887 -4.565 14.495 1.00 0.33 C ATOM 585 CG ASN A 466 -1.867 -4.310 16.011 1.00 0.33 C ATOM 586 OD1 ASN A 466 -1.113 -4.963 16.733 1.00 0.33 O ATOM 587 ND2 ASN A 466 -2.709 -3.369 16.507 1.00 0.33 N ATOM 0 H ASN A 466 -3.038 -2.419 13.413 1.00 0.33 H new ATOM 0 HA ASN A 466 -0.314 -3.133 14.288 1.00 0.33 H new ATOM 0 HB2 ASN A 466 -2.914 -4.697 14.154 1.00 0.33 H new ATOM 0 HB3 ASN A 466 -1.354 -5.488 14.266 1.00 0.33 H new ATOM 0 HD21 ASN A 466 -2.732 -3.183 17.510 1.00 0.33 H new ATOM 0 HD22 ASN A 466 -3.319 -2.848 15.877 1.00 0.33 H new ATOM 594 N TRP A 467 -0.735 -2.724 11.374 1.00 0.32 N ATOM 595 CA TRP A 467 -0.248 -2.853 9.994 1.00 0.32 C ATOM 596 C TRP A 467 1.245 -2.703 9.778 1.00 0.32 C ATOM 597 O TRP A 467 2.017 -2.137 10.561 1.00 0.32 O ATOM 598 CB TRP A 467 -0.941 -1.779 9.102 1.00 0.32 C ATOM 599 CG TRP A 467 -2.314 -2.154 8.670 1.00 0.32 C ATOM 600 CD1 TRP A 467 -3.112 -3.125 9.188 1.00 0.32 C ATOM 601 CD2 TRP A 467 -2.996 -1.610 7.530 1.00 0.32 C ATOM 602 NE1 TRP A 467 -4.234 -3.259 8.437 1.00 0.32 N ATOM 603 CE2 TRP A 467 -4.181 -2.353 7.394 1.00 0.32 C ATOM 604 CE3 TRP A 467 -2.659 -0.606 6.616 1.00 0.32 C ATOM 605 CZ2 TRP A 467 -5.021 -2.147 6.314 1.00 0.32 C ATOM 606 CZ3 TRP A 467 -3.526 -0.343 5.550 1.00 0.32 C ATOM 607 CH2 TRP A 467 -4.653 -1.160 5.386 1.00 0.32 C ATOM 0 H TRP A 467 -1.159 -1.813 11.550 1.00 0.32 H new ATOM 0 HA TRP A 467 -0.493 -3.882 9.730 1.00 0.32 H new ATOM 0 HB2 TRP A 467 -0.987 -0.839 9.651 1.00 0.32 H new ATOM 0 HB3 TRP A 467 -0.327 -1.603 8.219 1.00 0.32 H new ATOM 0 HD1 TRP A 467 -2.886 -3.706 10.070 1.00 0.32 H new ATOM 0 HE1 TRP A 467 -4.991 -3.919 8.613 1.00 0.32 H new ATOM 0 HE3 TRP A 467 -1.745 -0.043 6.731 1.00 0.32 H new ATOM 0 HZ2 TRP A 467 -5.926 -2.724 6.190 1.00 0.32 H new ATOM 0 HZ3 TRP A 467 -3.331 0.472 4.868 1.00 0.32 H new ATOM 0 HH2 TRP A 467 -5.265 -1.024 4.507 1.00 0.32 H new ATOM 618 N GLN A 468 1.637 -3.206 8.585 1.00 0.53 N ATOM 619 CA GLN A 468 2.977 -3.069 8.032 1.00 0.53 C ATOM 620 C GLN A 468 2.742 -3.124 6.549 1.00 0.53 C ATOM 621 O GLN A 468 2.215 -4.098 6.015 1.00 0.53 O ATOM 622 CB GLN A 468 4.145 -4.066 8.404 1.00 0.53 C ATOM 623 CG GLN A 468 4.215 -4.595 9.860 1.00 0.53 C ATOM 624 CD GLN A 468 5.386 -5.562 10.134 1.00 0.53 C ATOM 625 OE1 GLN A 468 6.404 -5.569 9.233 1.00 0.53 O flip ATOM 626 NE2 GLN A 468 5.422 -6.266 11.147 1.00 0.53 N flip ATOM 0 H GLN A 468 1.006 -3.728 7.977 1.00 0.53 H new ATOM 0 HA GLN A 468 3.380 -2.159 8.476 1.00 0.53 H new ATOM 0 HB2 GLN A 468 4.074 -4.927 7.739 1.00 0.53 H new ATOM 0 HB3 GLN A 468 5.090 -3.570 8.183 1.00 0.53 H new ATOM 0 HG2 GLN A 468 4.296 -3.746 10.538 1.00 0.53 H new ATOM 0 HG3 GLN A 468 3.279 -5.102 10.094 1.00 0.53 H new ATOM 0 HE21 GLN A 468 4.647 -6.245 11.810 1.00 0.53 H new ATOM 0 HE22 GLN A 468 6.227 -6.868 11.321 1.00 0.53 H new ATOM 635 N ILE A 469 3.149 -2.072 5.826 1.00 0.85 N ATOM 636 CA ILE A 469 3.111 -1.924 4.389 1.00 0.85 C ATOM 637 C ILE A 469 4.546 -2.226 3.992 1.00 0.85 C ATOM 638 O ILE A 469 5.465 -1.783 4.675 1.00 0.85 O ATOM 639 CB ILE A 469 2.597 -0.515 4.091 1.00 0.85 C ATOM 640 CG1 ILE A 469 1.388 -0.581 3.150 1.00 0.85 C ATOM 641 CG2 ILE A 469 3.661 0.517 3.675 1.00 0.85 C ATOM 642 CD1 ILE A 469 0.200 0.171 3.753 1.00 0.85 C ATOM 0 H ILE A 469 3.541 -1.246 6.278 1.00 0.85 H new ATOM 0 HA ILE A 469 2.444 -2.575 3.824 1.00 0.85 H new ATOM 0 HB ILE A 469 2.266 -0.107 5.046 1.00 0.85 H new ATOM 0 HG12 ILE A 469 1.647 -0.149 2.184 1.00 0.85 H new ATOM 0 HG13 ILE A 469 1.115 -1.621 2.971 1.00 0.85 H new ATOM 0 HG21 ILE A 469 3.182 1.478 3.489 1.00 0.85 H new ATOM 0 HG22 ILE A 469 4.395 0.625 4.474 1.00 0.85 H new ATOM 0 HG23 ILE A 469 4.160 0.179 2.767 1.00 0.85 H new ATOM 0 HD11 ILE A 469 -0.650 0.114 3.073 1.00 0.85 H new ATOM 0 HD12 ILE A 469 -0.069 -0.280 4.708 1.00 0.85 H new ATOM 0 HD13 ILE A 469 0.471 1.215 3.909 1.00 0.85 H new ATOM 654 N LYS A 470 4.804 -3.020 2.944 1.00 1.07 N ATOM 655 CA LYS A 470 6.162 -3.424 2.610 1.00 1.07 C ATOM 656 C LYS A 470 6.255 -3.421 1.098 1.00 1.07 C ATOM 657 O LYS A 470 5.253 -3.636 0.406 1.00 1.07 O ATOM 658 CB LYS A 470 6.555 -4.786 3.230 1.00 1.07 C ATOM 659 CG LYS A 470 5.591 -5.973 3.130 1.00 1.07 C ATOM 660 CD LYS A 470 6.253 -7.267 3.649 1.00 1.07 C ATOM 661 CE LYS A 470 6.902 -7.183 5.045 1.00 1.07 C ATOM 662 NZ LYS A 470 5.945 -6.724 6.078 1.00 1.07 N ATOM 0 H LYS A 470 4.088 -3.390 2.319 1.00 1.07 H new ATOM 0 HA LYS A 470 6.880 -2.725 3.038 1.00 1.07 H new ATOM 0 HB2 LYS A 470 7.496 -5.092 2.774 1.00 1.07 H new ATOM 0 HB3 LYS A 470 6.754 -4.617 4.288 1.00 1.07 H new ATOM 0 HG2 LYS A 470 4.690 -5.764 3.707 1.00 1.07 H new ATOM 0 HG3 LYS A 470 5.282 -6.109 2.094 1.00 1.07 H new ATOM 0 HD2 LYS A 470 5.500 -8.054 3.668 1.00 1.07 H new ATOM 0 HD3 LYS A 470 7.016 -7.573 2.933 1.00 1.07 H new ATOM 0 HE2 LYS A 470 7.292 -8.162 5.322 1.00 1.07 H new ATOM 0 HE3 LYS A 470 7.751 -6.500 5.009 1.00 1.07 H new ATOM 0 HZ1 LYS A 470 6.399 -6.005 6.677 1.00 1.07 H new ATOM 0 HZ2 LYS A 470 5.108 -6.312 5.618 1.00 1.07 H new ATOM 0 HZ3 LYS A 470 5.655 -7.531 6.666 1.00 1.07 H new ATOM 676 N ARG A 471 7.464 -3.172 0.543 1.00 1.08 N ATOM 677 CA ARG A 471 7.697 -3.157 -0.886 1.00 1.08 C ATOM 678 C ARG A 471 9.074 -3.705 -1.183 1.00 1.08 C ATOM 679 O ARG A 471 10.027 -3.478 -0.429 1.00 1.08 O ATOM 680 CB ARG A 471 7.761 -1.736 -1.516 1.00 1.08 C ATOM 681 CG ARG A 471 6.601 -0.773 -1.258 1.00 1.08 C ATOM 682 CD ARG A 471 6.873 0.498 -2.088 1.00 1.08 C ATOM 683 NE ARG A 471 6.279 1.725 -1.450 1.00 1.08 N ATOM 684 CZ ARG A 471 6.828 2.408 -0.394 1.00 1.08 C ATOM 685 NH1 ARG A 471 7.998 2.006 0.180 1.00 1.08 N ATOM 686 NH2 ARG A 471 6.186 3.511 0.092 1.00 1.08 N ATOM 0 H ARG A 471 8.299 -2.977 1.095 1.00 1.08 H new ATOM 0 HA ARG A 471 6.862 -3.727 -1.293 1.00 1.08 H new ATOM 0 HB2 ARG A 471 8.675 -1.257 -1.163 1.00 1.08 H new ATOM 0 HB3 ARG A 471 7.860 -1.855 -2.595 1.00 1.08 H new ATOM 0 HG2 ARG A 471 5.653 -1.226 -1.547 1.00 1.08 H new ATOM 0 HG3 ARG A 471 6.529 -0.532 -0.197 1.00 1.08 H new ATOM 0 HD2 ARG A 471 7.949 0.633 -2.202 1.00 1.08 H new ATOM 0 HD3 ARG A 471 6.459 0.373 -3.089 1.00 1.08 H new ATOM 0 HE ARG A 471 5.401 2.076 -1.832 1.00 1.08 H new ATOM 0 HH11 ARG A 471 8.483 1.182 -0.175 1.00 1.08 H new ATOM 0 HH12 ARG A 471 8.388 2.529 0.964 1.00 1.08 H new ATOM 0 HH21 ARG A 471 5.309 3.818 -0.330 1.00 1.08 H new ATOM 0 HH22 ARG A 471 6.583 4.028 0.877 1.00 1.08 H new ATOM 700 N GLN A 472 9.187 -4.298 -2.402 1.00 0.85 N ATOM 701 CA GLN A 472 10.432 -4.649 -3.062 1.00 0.85 C ATOM 702 C GLN A 472 10.433 -3.743 -4.299 1.00 0.85 C ATOM 703 O GLN A 472 9.485 -3.763 -5.094 1.00 0.85 O ATOM 704 CB GLN A 472 10.478 -6.162 -3.437 1.00 0.85 C ATOM 705 CG GLN A 472 11.849 -6.728 -3.909 1.00 0.85 C ATOM 706 CD GLN A 472 12.050 -6.753 -5.433 1.00 0.85 C ATOM 707 OE1 GLN A 472 11.129 -7.016 -6.205 1.00 0.85 O ATOM 708 NE2 GLN A 472 13.300 -6.471 -5.886 1.00 0.85 N ATOM 0 H GLN A 472 8.368 -4.546 -2.957 1.00 0.85 H new ATOM 0 HA GLN A 472 11.310 -4.503 -2.433 1.00 0.85 H new ATOM 0 HB2 GLN A 472 10.154 -6.737 -2.569 1.00 0.85 H new ATOM 0 HB3 GLN A 472 9.748 -6.338 -4.227 1.00 0.85 H new ATOM 0 HG2 GLN A 472 12.645 -6.132 -3.462 1.00 0.85 H new ATOM 0 HG3 GLN A 472 11.958 -7.743 -3.526 1.00 0.85 H new ATOM 0 HE21 GLN A 472 14.046 -6.256 -5.224 1.00 0.85 H new ATOM 0 HE22 GLN A 472 13.492 -6.474 -6.888 1.00 0.85 H new ATOM 762 N PRO A 477 16.373 -0.485 -3.209 1.00 0.88 N ATOM 763 CA PRO A 477 16.301 -1.036 -1.848 1.00 0.88 C ATOM 764 C PRO A 477 14.973 -1.698 -1.426 1.00 0.88 C ATOM 765 O PRO A 477 13.922 -1.519 -2.049 1.00 0.88 O ATOM 766 CB PRO A 477 16.643 0.169 -0.938 1.00 0.88 C ATOM 767 CG PRO A 477 17.318 1.180 -1.866 1.00 0.88 C ATOM 768 CD PRO A 477 16.574 0.959 -3.174 1.00 0.88 C ATOM 0 HA PRO A 477 16.989 -1.878 -1.773 1.00 0.88 H new ATOM 0 HB2 PRO A 477 15.746 0.588 -0.482 1.00 0.88 H new ATOM 0 HB3 PRO A 477 17.306 -0.125 -0.124 1.00 0.88 H new ATOM 0 HG2 PRO A 477 17.209 2.202 -1.503 1.00 0.88 H new ATOM 0 HG3 PRO A 477 18.386 0.990 -1.968 1.00 0.88 H new ATOM 0 HD2 PRO A 477 15.626 1.497 -3.193 1.00 0.88 H new ATOM 0 HD3 PRO A 477 17.154 1.305 -4.030 1.00 0.88 H new ATOM 776 N LEU A 478 15.059 -2.474 -0.309 1.00 0.93 N ATOM 777 CA LEU A 478 14.002 -3.197 0.386 1.00 0.93 C ATOM 778 C LEU A 478 13.348 -2.363 1.499 1.00 0.93 C ATOM 779 O LEU A 478 13.941 -2.115 2.550 1.00 0.93 O ATOM 780 CB LEU A 478 14.528 -4.558 0.872 1.00 0.93 C ATOM 781 CG LEU A 478 13.646 -5.809 0.635 1.00 0.93 C ATOM 782 CD1 LEU A 478 12.194 -5.661 1.106 1.00 0.93 C ATOM 783 CD2 LEU A 478 13.705 -6.242 -0.836 1.00 0.93 C ATOM 0 H LEU A 478 15.958 -2.609 0.154 1.00 0.93 H new ATOM 0 HA LEU A 478 13.196 -3.390 -0.321 1.00 0.93 H new ATOM 0 HB2 LEU A 478 15.491 -4.734 0.393 1.00 0.93 H new ATOM 0 HB3 LEU A 478 14.715 -4.480 1.943 1.00 0.93 H new ATOM 0 HG LEU A 478 14.072 -6.592 1.262 1.00 0.93 H new ATOM 0 HD11 LEU A 478 11.649 -6.583 0.901 1.00 0.93 H new ATOM 0 HD12 LEU A 478 12.178 -5.460 2.177 1.00 0.93 H new ATOM 0 HD13 LEU A 478 11.722 -4.835 0.575 1.00 0.93 H new ATOM 0 HD21 LEU A 478 13.079 -7.122 -0.982 1.00 0.93 H new ATOM 0 HD22 LEU A 478 13.344 -5.431 -1.469 1.00 0.93 H new ATOM 0 HD23 LEU A 478 14.734 -6.481 -1.104 1.00 0.93 H new ATOM 795 N LEU A 479 12.101 -1.882 1.281 1.00 0.81 N ATOM 796 CA LEU A 479 11.372 -1.039 2.206 1.00 0.81 C ATOM 797 C LEU A 479 10.184 -1.660 2.916 1.00 0.81 C ATOM 798 O LEU A 479 9.543 -2.610 2.471 1.00 0.81 O ATOM 799 CB LEU A 479 10.933 0.216 1.466 1.00 0.81 C ATOM 800 CG LEU A 479 11.815 1.403 1.887 1.00 0.81 C ATOM 801 CD1 LEU A 479 11.524 1.946 3.310 1.00 0.81 C ATOM 802 CD2 LEU A 479 13.320 1.167 1.640 1.00 0.81 C ATOM 0 H LEU A 479 11.577 -2.086 0.430 1.00 0.81 H new ATOM 0 HA LEU A 479 12.072 -0.834 3.016 1.00 0.81 H new ATOM 0 HB2 LEU A 479 11.007 0.060 0.390 1.00 0.81 H new ATOM 0 HB3 LEU A 479 9.887 0.432 1.686 1.00 0.81 H new ATOM 0 HG LEU A 479 11.517 2.205 1.212 1.00 0.81 H new ATOM 0 HD11 LEU A 479 12.191 2.781 3.524 1.00 0.81 H new ATOM 0 HD12 LEU A 479 10.489 2.284 3.366 1.00 0.81 H new ATOM 0 HD13 LEU A 479 11.687 1.155 4.042 1.00 0.81 H new ATOM 0 HD21 LEU A 479 13.883 2.044 1.960 1.00 0.81 H new ATOM 0 HD22 LEU A 479 13.650 0.297 2.208 1.00 0.81 H new ATOM 0 HD23 LEU A 479 13.491 0.993 0.578 1.00 0.81 H new ATOM 814 N THR A 480 9.827 -1.069 4.075 1.00 0.69 N ATOM 815 CA THR A 480 8.607 -1.343 4.800 1.00 0.69 C ATOM 816 C THR A 480 8.374 -0.052 5.510 1.00 0.69 C ATOM 817 O THR A 480 9.335 0.602 5.910 1.00 0.69 O ATOM 818 CB THR A 480 8.708 -2.527 5.768 1.00 0.69 C ATOM 819 OG1 THR A 480 8.868 -3.746 5.067 1.00 0.69 O ATOM 820 CG2 THR A 480 7.591 -2.661 6.850 1.00 0.69 C ATOM 0 H THR A 480 10.411 -0.368 4.532 1.00 0.69 H new ATOM 0 HA THR A 480 7.792 -1.649 4.144 1.00 0.69 H new ATOM 0 HB THR A 480 9.601 -2.294 6.348 1.00 0.69 H new ATOM 0 HG1 THR A 480 9.027 -3.559 4.118 1.00 0.69 H new ATOM 0 HG21 THR A 480 7.784 -3.539 7.466 1.00 0.69 H new ATOM 0 HG22 THR A 480 7.585 -1.771 7.479 1.00 0.69 H new ATOM 0 HG23 THR A 480 6.622 -2.767 6.362 1.00 0.69 H new ATOM 828 N TYR A 481 7.093 0.304 5.730 1.00 0.73 N ATOM 829 CA TYR A 481 6.620 1.370 6.575 1.00 0.73 C ATOM 830 C TYR A 481 5.649 0.667 7.529 1.00 0.73 C ATOM 831 O TYR A 481 4.725 -0.032 7.106 1.00 0.73 O ATOM 832 CB TYR A 481 6.018 2.523 5.702 1.00 0.73 C ATOM 833 CG TYR A 481 5.073 3.554 6.299 1.00 0.73 C ATOM 834 CD1 TYR A 481 5.024 3.926 7.660 1.00 0.73 C ATOM 835 CD2 TYR A 481 4.261 4.254 5.388 1.00 0.73 C ATOM 836 CE1 TYR A 481 4.242 5.009 8.081 1.00 0.73 C ATOM 837 CE2 TYR A 481 3.509 5.361 5.804 1.00 0.73 C ATOM 838 CZ TYR A 481 3.521 5.751 7.145 1.00 0.73 C ATOM 839 OH TYR A 481 2.871 6.931 7.549 1.00 0.73 O ATOM 0 H TYR A 481 6.324 -0.193 5.281 1.00 0.73 H new ATOM 0 HA TYR A 481 7.387 1.885 7.154 1.00 0.73 H new ATOM 0 HB2 TYR A 481 6.858 3.071 5.276 1.00 0.73 H new ATOM 0 HB3 TYR A 481 5.491 2.052 4.872 1.00 0.73 H new ATOM 0 HD1 TYR A 481 5.597 3.368 8.386 1.00 0.73 H new ATOM 0 HD2 TYR A 481 4.217 3.935 4.357 1.00 0.73 H new ATOM 0 HE1 TYR A 481 4.197 5.269 9.128 1.00 0.73 H new ATOM 0 HE2 TYR A 481 2.920 5.913 5.087 1.00 0.73 H new ATOM 0 HH TYR A 481 3.472 7.695 7.425 1.00 0.73 H new ATOM 849 N ARG A 482 5.879 0.805 8.863 1.00 0.84 N ATOM 850 CA ARG A 482 5.087 0.201 9.927 1.00 0.84 C ATOM 851 C ARG A 482 4.112 1.196 10.558 1.00 0.84 C ATOM 852 O ARG A 482 4.324 2.410 10.577 1.00 0.84 O ATOM 853 CB ARG A 482 5.990 -0.449 11.007 1.00 0.84 C ATOM 854 CG ARG A 482 6.939 -1.514 10.418 1.00 0.84 C ATOM 855 CD ARG A 482 7.724 -2.307 11.474 1.00 0.84 C ATOM 856 NE ARG A 482 6.756 -3.099 12.310 1.00 0.84 N ATOM 857 CZ ARG A 482 7.145 -3.916 13.339 1.00 0.84 C ATOM 858 NH1 ARG A 482 8.464 -4.061 13.659 1.00 0.84 N ATOM 859 NH2 ARG A 482 6.198 -4.596 14.049 1.00 0.84 N ATOM 0 H ARG A 482 6.653 1.364 9.221 1.00 0.84 H new ATOM 0 HA ARG A 482 4.492 -0.586 9.465 1.00 0.84 H new ATOM 0 HB2 ARG A 482 6.578 0.326 11.499 1.00 0.84 H new ATOM 0 HB3 ARG A 482 5.364 -0.908 11.772 1.00 0.84 H new ATOM 0 HG2 ARG A 482 6.357 -2.210 9.815 1.00 0.84 H new ATOM 0 HG3 ARG A 482 7.645 -1.025 9.747 1.00 0.84 H new ATOM 0 HD2 ARG A 482 8.438 -2.974 10.990 1.00 0.84 H new ATOM 0 HD3 ARG A 482 8.299 -1.628 12.104 1.00 0.84 H new ATOM 0 HE ARG A 482 5.761 -3.024 12.100 1.00 0.84 H new ATOM 0 HH11 ARG A 482 9.176 -3.557 13.129 1.00 0.84 H new ATOM 0 HH12 ARG A 482 8.738 -4.673 14.428 1.00 0.84 H new ATOM 0 HH21 ARG A 482 5.211 -4.493 13.812 1.00 0.84 H new ATOM 0 HH22 ARG A 482 6.477 -5.207 14.817 1.00 0.84 H new ATOM 873 N PHE A 483 2.973 0.663 11.078 1.00 0.68 N ATOM 874 CA PHE A 483 1.846 1.404 11.642 1.00 0.68 C ATOM 875 C PHE A 483 1.840 1.489 13.196 1.00 0.68 C ATOM 876 O PHE A 483 2.521 0.720 13.875 1.00 0.68 O ATOM 877 CB PHE A 483 0.522 0.917 10.968 1.00 0.68 C ATOM 878 CG PHE A 483 0.140 1.798 9.787 1.00 0.68 C ATOM 879 CD1 PHE A 483 0.970 1.895 8.652 1.00 0.68 C ATOM 880 CD2 PHE A 483 -1.021 2.596 9.824 1.00 0.68 C ATOM 881 CE1 PHE A 483 0.722 2.856 7.662 1.00 0.68 C ATOM 882 CE2 PHE A 483 -1.282 3.545 8.831 1.00 0.68 C ATOM 883 CZ PHE A 483 -0.391 3.703 7.767 1.00 0.68 C ATOM 0 H PHE A 483 2.824 -0.346 11.110 1.00 0.68 H new ATOM 0 HA PHE A 483 1.956 2.459 11.391 1.00 0.68 H new ATOM 0 HB2 PHE A 483 0.641 -0.113 10.631 1.00 0.68 H new ATOM 0 HB3 PHE A 483 -0.284 0.921 11.702 1.00 0.68 H new ATOM 0 HD1 PHE A 483 1.807 1.221 8.544 1.00 0.68 H new ATOM 0 HD2 PHE A 483 -1.723 2.472 10.635 1.00 0.68 H new ATOM 0 HE1 PHE A 483 1.389 2.944 6.817 1.00 0.68 H new ATOM 0 HE2 PHE A 483 -2.171 4.155 8.887 1.00 0.68 H new ATOM 0 HZ PHE A 483 -0.558 4.473 7.029 1.00 0.68 H new ATOM 893 N PRO A 484 1.087 2.461 13.788 1.00 0.53 N ATOM 894 CA PRO A 484 1.040 2.804 15.219 1.00 0.53 C ATOM 895 C PRO A 484 -0.091 2.060 15.981 1.00 0.53 C ATOM 896 O PRO A 484 -1.218 2.217 15.528 1.00 0.53 O ATOM 897 CB PRO A 484 0.712 4.313 15.117 1.00 0.53 C ATOM 898 CG PRO A 484 -0.232 4.458 13.903 1.00 0.53 C ATOM 899 CD PRO A 484 0.105 3.238 13.037 1.00 0.53 C ATOM 0 HA PRO A 484 1.946 2.541 15.765 1.00 0.53 H new ATOM 0 HB2 PRO A 484 0.234 4.672 16.029 1.00 0.53 H new ATOM 0 HB3 PRO A 484 1.619 4.902 14.980 1.00 0.53 H new ATOM 0 HG2 PRO A 484 -1.279 4.457 14.207 1.00 0.53 H new ATOM 0 HG3 PRO A 484 -0.056 5.391 13.367 1.00 0.53 H new ATOM 0 HD2 PRO A 484 -0.788 2.646 12.835 1.00 0.53 H new ATOM 0 HD3 PRO A 484 0.508 3.546 12.072 1.00 0.53 H new ATOM 907 N PRO A 485 0.011 1.385 17.149 1.00 0.68 N ATOM 908 CA PRO A 485 -1.008 0.453 17.711 1.00 0.68 C ATOM 909 C PRO A 485 -2.412 0.971 18.143 1.00 0.68 C ATOM 910 O PRO A 485 -3.037 0.312 18.971 1.00 0.68 O ATOM 911 CB PRO A 485 -0.248 -0.170 18.907 1.00 0.68 C ATOM 912 CG PRO A 485 0.789 0.873 19.301 1.00 0.68 C ATOM 913 CD PRO A 485 1.236 1.394 17.942 1.00 0.68 C ATOM 0 HA PRO A 485 -1.334 -0.209 16.909 1.00 0.68 H new ATOM 0 HB2 PRO A 485 -0.924 -0.387 19.734 1.00 0.68 H new ATOM 0 HB3 PRO A 485 0.225 -1.111 18.627 1.00 0.68 H new ATOM 0 HG2 PRO A 485 0.362 1.661 19.921 1.00 0.68 H new ATOM 0 HG3 PRO A 485 1.614 0.437 19.864 1.00 0.68 H new ATOM 0 HD2 PRO A 485 1.658 2.396 18.016 1.00 0.68 H new ATOM 0 HD3 PRO A 485 2.003 0.757 17.501 1.00 0.68 H new ATOM 921 N LYS A 486 -2.949 2.111 17.621 1.00 0.85 N ATOM 922 CA LYS A 486 -4.202 2.725 18.077 1.00 0.85 C ATOM 923 C LYS A 486 -5.454 2.632 17.237 1.00 0.85 C ATOM 924 O LYS A 486 -6.569 2.622 17.740 1.00 0.85 O ATOM 925 CB LYS A 486 -3.958 4.224 18.423 1.00 0.85 C ATOM 926 CG LYS A 486 -2.741 4.442 19.336 1.00 0.85 C ATOM 927 CD LYS A 486 -2.510 5.913 19.718 1.00 0.85 C ATOM 928 CE LYS A 486 -2.055 6.791 18.541 1.00 0.85 C ATOM 929 NZ LYS A 486 -1.794 8.180 18.986 1.00 0.85 N ATOM 0 H LYS A 486 -2.506 2.626 16.860 1.00 0.85 H new ATOM 0 HA LYS A 486 -4.442 2.088 18.928 1.00 0.85 H new ATOM 0 HB2 LYS A 486 -3.817 4.785 17.499 1.00 0.85 H new ATOM 0 HB3 LYS A 486 -4.846 4.628 18.909 1.00 0.85 H new ATOM 0 HG2 LYS A 486 -2.871 3.856 20.246 1.00 0.85 H new ATOM 0 HG3 LYS A 486 -1.850 4.062 18.836 1.00 0.85 H new ATOM 0 HD2 LYS A 486 -3.433 6.322 20.130 1.00 0.85 H new ATOM 0 HD3 LYS A 486 -1.760 5.961 20.507 1.00 0.85 H new ATOM 0 HE2 LYS A 486 -1.152 6.372 18.097 1.00 0.85 H new ATOM 0 HE3 LYS A 486 -2.821 6.791 17.765 1.00 0.85 H new ATOM 0 HZ1 LYS A 486 -1.488 8.753 18.174 1.00 0.85 H new ATOM 0 HZ2 LYS A 486 -2.664 8.585 19.388 1.00 0.85 H new ATOM 0 HZ3 LYS A 486 -1.047 8.178 19.709 1.00 0.85 H new ATOM 943 N PHE A 487 -5.291 2.609 15.925 1.00 0.81 N ATOM 944 CA PHE A 487 -6.352 2.698 14.904 1.00 0.81 C ATOM 945 C PHE A 487 -7.057 1.374 14.475 1.00 0.81 C ATOM 946 O PHE A 487 -6.543 0.262 14.602 1.00 0.81 O ATOM 947 CB PHE A 487 -5.774 3.549 13.709 1.00 0.81 C ATOM 948 CG PHE A 487 -6.684 3.794 12.522 1.00 0.81 C ATOM 949 CD1 PHE A 487 -7.571 4.877 12.423 1.00 0.81 C ATOM 950 CD2 PHE A 487 -6.681 2.834 11.506 1.00 0.81 C ATOM 951 CE1 PHE A 487 -8.433 4.983 11.321 1.00 0.81 C ATOM 952 CE2 PHE A 487 -7.549 2.910 10.413 1.00 0.81 C ATOM 953 CZ PHE A 487 -8.423 3.999 10.319 1.00 0.81 C ATOM 0 H PHE A 487 -4.365 2.523 15.507 1.00 0.81 H new ATOM 0 HA PHE A 487 -7.206 3.196 15.363 1.00 0.81 H new ATOM 0 HB2 PHE A 487 -5.467 4.518 14.103 1.00 0.81 H new ATOM 0 HB3 PHE A 487 -4.874 3.052 13.346 1.00 0.81 H new ATOM 0 HD1 PHE A 487 -7.590 5.630 13.197 1.00 0.81 H new ATOM 0 HD2 PHE A 487 -5.987 2.009 11.567 1.00 0.81 H new ATOM 0 HE1 PHE A 487 -9.106 5.824 11.243 1.00 0.81 H new ATOM 0 HE2 PHE A 487 -7.545 2.142 9.654 1.00 0.81 H new ATOM 0 HZ PHE A 487 -9.091 4.083 9.474 1.00 0.81 H new ATOM 963 N THR A 488 -8.283 1.523 13.887 1.00 0.82 N ATOM 964 CA THR A 488 -9.141 0.505 13.259 1.00 0.82 C ATOM 965 C THR A 488 -9.891 1.110 12.090 1.00 0.82 C ATOM 966 O THR A 488 -10.410 2.213 12.176 1.00 0.82 O ATOM 967 CB THR A 488 -10.115 -0.225 14.209 1.00 0.82 C ATOM 968 OG1 THR A 488 -9.343 -1.042 15.089 1.00 0.82 O ATOM 969 CG2 THR A 488 -11.161 -1.138 13.496 1.00 0.82 C ATOM 0 H THR A 488 -8.721 2.443 13.844 1.00 0.82 H new ATOM 0 HA THR A 488 -8.458 -0.273 12.919 1.00 0.82 H new ATOM 0 HB THR A 488 -10.682 0.550 14.725 1.00 0.82 H new ATOM 0 HG1 THR A 488 -8.390 -0.859 14.953 1.00 0.82 H new ATOM 0 HG21 THR A 488 -11.801 -1.609 14.242 1.00 0.82 H new ATOM 0 HG22 THR A 488 -11.771 -0.536 12.823 1.00 0.82 H new ATOM 0 HG23 THR A 488 -10.642 -1.908 12.925 1.00 0.82 H new ATOM 977 N LEU A 489 -9.975 0.340 10.973 1.00 0.93 N ATOM 978 CA LEU A 489 -10.678 0.549 9.727 1.00 0.93 C ATOM 979 C LEU A 489 -12.018 -0.149 9.857 1.00 0.93 C ATOM 980 O LEU A 489 -12.171 -1.185 10.489 1.00 0.93 O ATOM 981 CB LEU A 489 -9.767 0.010 8.563 1.00 0.93 C ATOM 982 CG LEU A 489 -10.300 -0.932 7.454 1.00 0.93 C ATOM 983 CD1 LEU A 489 -11.410 -0.261 6.669 1.00 0.93 C ATOM 984 CD2 LEU A 489 -9.192 -1.347 6.464 1.00 0.93 C ATOM 0 H LEU A 489 -9.479 -0.551 10.947 1.00 0.93 H new ATOM 0 HA LEU A 489 -10.879 1.596 9.498 1.00 0.93 H new ATOM 0 HB2 LEU A 489 -9.357 0.885 8.058 1.00 0.93 H new ATOM 0 HB3 LEU A 489 -8.931 -0.506 9.035 1.00 0.93 H new ATOM 0 HG LEU A 489 -10.676 -1.822 7.959 1.00 0.93 H new ATOM 0 HD11 LEU A 489 -11.770 -0.939 5.896 1.00 0.93 H new ATOM 0 HD12 LEU A 489 -12.230 -0.009 7.341 1.00 0.93 H new ATOM 0 HD13 LEU A 489 -11.029 0.649 6.205 1.00 0.93 H new ATOM 0 HD21 LEU A 489 -9.611 -2.007 5.704 1.00 0.93 H new ATOM 0 HD22 LEU A 489 -8.780 -0.458 5.986 1.00 0.93 H new ATOM 0 HD23 LEU A 489 -8.401 -1.869 7.002 1.00 0.93 H new ATOM 996 N LYS A 490 -13.033 0.487 9.273 1.00 0.79 N ATOM 997 CA LYS A 490 -14.420 0.188 9.308 1.00 0.79 C ATOM 998 C LYS A 490 -14.832 -0.499 8.018 1.00 0.79 C ATOM 999 O LYS A 490 -14.529 0.076 6.988 1.00 0.79 O ATOM 1000 CB LYS A 490 -15.112 1.606 9.243 1.00 0.79 C ATOM 1001 CG LYS A 490 -14.491 2.640 10.214 1.00 0.79 C ATOM 1002 CD LYS A 490 -14.763 2.315 11.692 1.00 0.79 C ATOM 1003 CE LYS A 490 -14.064 3.270 12.672 1.00 0.79 C ATOM 1004 NZ LYS A 490 -14.539 4.664 12.506 1.00 0.79 N ATOM 0 H LYS A 490 -12.856 1.315 8.705 1.00 0.79 H new ATOM 0 HA LYS A 490 -14.672 -0.430 10.170 1.00 0.79 H new ATOM 0 HB2 LYS A 490 -15.044 1.989 8.225 1.00 0.79 H new ATOM 0 HB3 LYS A 490 -16.172 1.495 9.472 1.00 0.79 H new ATOM 0 HG2 LYS A 490 -13.414 2.684 10.049 1.00 0.79 H new ATOM 0 HG3 LYS A 490 -14.889 3.629 9.986 1.00 0.79 H new ATOM 0 HD2 LYS A 490 -15.838 2.348 11.870 1.00 0.79 H new ATOM 0 HD3 LYS A 490 -14.437 1.295 11.897 1.00 0.79 H new ATOM 0 HE2 LYS A 490 -14.248 2.942 13.695 1.00 0.79 H new ATOM 0 HE3 LYS A 490 -12.986 3.231 12.513 1.00 0.79 H new ATOM 0 HZ1 LYS A 490 -14.084 5.273 13.216 1.00 0.79 H new ATOM 0 HZ2 LYS A 490 -14.296 5.003 11.553 1.00 0.79 H new ATOM 0 HZ3 LYS A 490 -15.571 4.696 12.632 1.00 0.79 H new ATOM 1018 N ALA A 491 -15.548 -1.658 7.971 1.00 0.40 N ATOM 1019 CA ALA A 491 -16.266 -2.268 6.822 1.00 0.40 C ATOM 1020 C ALA A 491 -16.713 -1.320 5.645 1.00 0.40 C ATOM 1021 O ALA A 491 -17.722 -0.630 5.738 1.00 0.40 O ATOM 1022 CB ALA A 491 -17.543 -2.909 7.420 1.00 0.40 C ATOM 0 H ALA A 491 -15.644 -2.235 8.807 1.00 0.40 H new ATOM 0 HA ALA A 491 -15.555 -2.948 6.353 1.00 0.40 H new ATOM 0 HB1 ALA A 491 -18.121 -3.378 6.624 1.00 0.40 H new ATOM 0 HB2 ALA A 491 -17.262 -3.662 8.157 1.00 0.40 H new ATOM 0 HB3 ALA A 491 -18.146 -2.139 7.901 1.00 0.40 H new ATOM 1028 N GLY A 492 -15.822 -1.205 4.625 1.00 0.27 N ATOM 1029 CA GLY A 492 -15.629 -0.224 3.550 1.00 0.27 C ATOM 1030 C GLY A 492 -15.569 1.263 3.781 1.00 0.27 C ATOM 1031 O GLY A 492 -16.221 2.063 3.117 1.00 0.27 O ATOM 0 H GLY A 492 -15.108 -1.928 4.537 1.00 0.27 H new ATOM 0 HA2 GLY A 492 -14.698 -0.495 3.051 1.00 0.27 H new ATOM 0 HA3 GLY A 492 -16.434 -0.391 2.834 1.00 0.27 H new ATOM 1035 N GLN A 493 -14.616 1.651 4.666 1.00 0.35 N ATOM 1036 CA GLN A 493 -14.081 2.980 4.921 1.00 0.35 C ATOM 1037 C GLN A 493 -12.996 3.182 3.834 1.00 0.35 C ATOM 1038 O GLN A 493 -12.417 2.167 3.417 1.00 0.35 O ATOM 1039 CB GLN A 493 -13.446 3.062 6.349 1.00 0.35 C ATOM 1040 CG GLN A 493 -12.191 3.928 6.645 1.00 0.35 C ATOM 1041 CD GLN A 493 -10.872 3.143 6.576 1.00 0.35 C ATOM 1042 OE1 GLN A 493 -10.628 2.375 5.483 1.00 0.35 O flip ATOM 1043 NE2 GLN A 493 -10.126 3.139 7.551 1.00 0.35 N flip ATOM 0 H GLN A 493 -14.170 0.960 5.270 1.00 0.35 H new ATOM 0 HA GLN A 493 -14.855 3.746 4.884 1.00 0.35 H new ATOM 0 HB2 GLN A 493 -14.231 3.406 7.022 1.00 0.35 H new ATOM 0 HB3 GLN A 493 -13.200 2.041 6.642 1.00 0.35 H new ATOM 0 HG2 GLN A 493 -12.152 4.752 5.932 1.00 0.35 H new ATOM 0 HG3 GLN A 493 -12.290 4.369 7.637 1.00 0.35 H new ATOM 0 HE21 GLN A 493 -10.337 3.728 8.357 1.00 0.35 H new ATOM 0 HE22 GLN A 493 -9.295 2.547 7.555 1.00 0.35 H new ATOM 1052 N VAL A 494 -12.589 4.427 3.446 1.00 0.36 N ATOM 1053 CA VAL A 494 -11.412 4.687 2.584 1.00 0.36 C ATOM 1054 C VAL A 494 -10.198 5.064 3.444 1.00 0.36 C ATOM 1055 O VAL A 494 -10.360 5.725 4.469 1.00 0.36 O ATOM 1056 CB VAL A 494 -11.660 5.822 1.576 1.00 0.36 C ATOM 1057 CG1 VAL A 494 -10.396 6.177 0.740 1.00 0.36 C ATOM 1058 CG2 VAL A 494 -12.809 5.378 0.646 1.00 0.36 C ATOM 0 H VAL A 494 -13.076 5.278 3.728 1.00 0.36 H new ATOM 0 HA VAL A 494 -11.225 3.767 2.030 1.00 0.36 H new ATOM 0 HB VAL A 494 -11.920 6.727 2.125 1.00 0.36 H new ATOM 0 HG11 VAL A 494 -10.633 6.984 0.047 1.00 0.36 H new ATOM 0 HG12 VAL A 494 -9.596 6.496 1.408 1.00 0.36 H new ATOM 0 HG13 VAL A 494 -10.073 5.300 0.179 1.00 0.36 H new ATOM 0 HG21 VAL A 494 -13.011 6.163 -0.083 1.00 0.36 H new ATOM 0 HG22 VAL A 494 -12.523 4.464 0.126 1.00 0.36 H new ATOM 0 HG23 VAL A 494 -13.706 5.193 1.238 1.00 0.36 H new ATOM 1068 N VAL A 495 -8.948 4.694 3.017 1.00 0.55 N ATOM 1069 CA VAL A 495 -7.701 5.102 3.648 1.00 0.55 C ATOM 1070 C VAL A 495 -6.516 5.037 2.696 1.00 0.55 C ATOM 1071 O VAL A 495 -6.143 4.011 2.139 1.00 0.55 O ATOM 1072 CB VAL A 495 -7.455 4.387 4.980 1.00 0.55 C ATOM 1073 CG1 VAL A 495 -7.313 2.868 4.746 1.00 0.55 C ATOM 1074 CG2 VAL A 495 -6.294 5.008 5.790 1.00 0.55 C ATOM 0 H VAL A 495 -8.805 4.092 2.206 1.00 0.55 H new ATOM 0 HA VAL A 495 -7.812 6.156 3.901 1.00 0.55 H new ATOM 0 HB VAL A 495 -8.328 4.535 5.616 1.00 0.55 H new ATOM 0 HG11 VAL A 495 -7.138 2.368 5.699 1.00 0.55 H new ATOM 0 HG12 VAL A 495 -8.228 2.482 4.296 1.00 0.55 H new ATOM 0 HG13 VAL A 495 -6.473 2.680 4.078 1.00 0.55 H new ATOM 0 HG21 VAL A 495 -6.167 4.459 6.723 1.00 0.55 H new ATOM 0 HG22 VAL A 495 -5.374 4.952 5.208 1.00 0.55 H new ATOM 0 HG23 VAL A 495 -6.521 6.051 6.010 1.00 0.55 H new ATOM 1084 N THR A 496 -5.853 6.196 2.485 1.00 0.72 N ATOM 1085 CA THR A 496 -4.658 6.349 1.653 1.00 0.72 C ATOM 1086 C THR A 496 -3.379 6.333 2.489 1.00 0.72 C ATOM 1087 O THR A 496 -3.189 7.101 3.432 1.00 0.72 O ATOM 1088 CB THR A 496 -4.666 7.691 0.874 1.00 0.72 C ATOM 1089 OG1 THR A 496 -5.720 7.726 -0.077 1.00 0.72 O ATOM 1090 CG2 THR A 496 -3.387 7.984 0.055 1.00 0.72 C ATOM 0 H THR A 496 -6.152 7.075 2.907 1.00 0.72 H new ATOM 0 HA THR A 496 -4.676 5.505 0.963 1.00 0.72 H new ATOM 0 HB THR A 496 -4.768 8.431 1.667 1.00 0.72 H new ATOM 0 HG1 THR A 496 -5.703 8.583 -0.552 1.00 0.72 H new ATOM 0 HG21 THR A 496 -3.491 8.943 -0.452 1.00 0.72 H new ATOM 0 HG22 THR A 496 -2.527 8.019 0.724 1.00 0.72 H new ATOM 0 HG23 THR A 496 -3.240 7.197 -0.685 1.00 0.72 H new ATOM 1098 N ILE A 497 -2.409 5.466 2.107 1.00 0.70 N ATOM 1099 CA ILE A 497 -1.061 5.456 2.666 1.00 0.70 C ATOM 1100 C ILE A 497 -0.114 5.773 1.511 1.00 0.70 C ATOM 1101 O ILE A 497 -0.414 5.345 0.396 1.00 0.70 O ATOM 1102 CB ILE A 497 -0.735 4.105 3.322 1.00 0.70 C ATOM 1103 CG1 ILE A 497 -1.755 3.835 4.439 1.00 0.70 C ATOM 1104 CG2 ILE A 497 0.609 4.165 4.072 1.00 0.70 C ATOM 1105 CD1 ILE A 497 -3.079 3.165 4.059 1.00 0.70 C ATOM 0 H ILE A 497 -2.556 4.752 1.394 1.00 0.70 H new ATOM 0 HA ILE A 497 -0.959 6.196 3.460 1.00 0.70 H new ATOM 0 HB ILE A 497 -0.732 3.357 2.529 1.00 0.70 H new ATOM 0 HG12 ILE A 497 -1.270 3.212 5.191 1.00 0.70 H new ATOM 0 HG13 ILE A 497 -1.988 4.787 4.916 1.00 0.70 H new ATOM 0 HG21 ILE A 497 0.815 3.196 4.527 1.00 0.70 H new ATOM 0 HG22 ILE A 497 1.406 4.414 3.371 1.00 0.70 H new ATOM 0 HG23 ILE A 497 0.558 4.927 4.849 1.00 0.70 H new ATOM 0 HD11 ILE A 497 -3.693 3.041 4.951 1.00 0.70 H new ATOM 0 HD12 ILE A 497 -3.608 3.788 3.338 1.00 0.70 H new ATOM 0 HD13 ILE A 497 -2.879 2.189 3.617 1.00 0.70 H new ATOM 1117 N TRP A 498 1.058 6.453 1.781 1.00 0.58 N ATOM 1118 CA TRP A 498 2.219 6.701 0.860 1.00 0.58 C ATOM 1119 C TRP A 498 3.475 7.531 1.206 1.00 0.58 C ATOM 1120 O TRP A 498 3.881 7.543 2.362 1.00 0.58 O ATOM 1121 CB TRP A 498 1.940 6.636 -0.658 1.00 0.58 C ATOM 1122 CG TRP A 498 2.514 5.374 -1.292 1.00 0.58 C ATOM 1123 CD1 TRP A 498 3.093 5.306 -2.511 1.00 0.58 C ATOM 1124 CD2 TRP A 498 2.579 4.026 -0.754 1.00 0.58 C ATOM 1125 NE1 TRP A 498 3.457 4.047 -2.801 1.00 0.58 N ATOM 1126 CE2 TRP A 498 3.147 3.224 -1.758 1.00 0.58 C ATOM 1127 CE3 TRP A 498 2.202 3.457 0.461 1.00 0.58 C ATOM 1128 CZ2 TRP A 498 3.296 1.857 -1.594 1.00 0.58 C ATOM 1129 CZ3 TRP A 498 2.383 2.094 0.645 1.00 0.58 C ATOM 1130 CH2 TRP A 498 2.920 1.300 -0.363 1.00 0.58 C ATOM 0 H TRP A 498 1.220 6.863 2.701 1.00 0.58 H new ATOM 0 HA TRP A 498 2.614 5.771 1.270 1.00 0.58 H new ATOM 0 HB2 TRP A 498 0.864 6.671 -0.830 1.00 0.58 H new ATOM 0 HB3 TRP A 498 2.369 7.513 -1.143 1.00 0.58 H new ATOM 0 HD1 TRP A 498 3.243 6.152 -3.165 1.00 0.58 H new ATOM 0 HE1 TRP A 498 3.899 3.750 -3.671 1.00 0.58 H new ATOM 0 HE3 TRP A 498 1.777 4.066 1.245 1.00 0.58 H new ATOM 0 HZ2 TRP A 498 3.689 1.240 -2.388 1.00 0.58 H new ATOM 0 HZ3 TRP A 498 2.103 1.642 1.585 1.00 0.58 H new ATOM 0 HH2 TRP A 498 3.049 0.241 -0.196 1.00 0.58 H new ATOM 1141 N ALA A 499 4.203 8.145 0.200 1.00 0.33 N ATOM 1142 CA ALA A 499 5.476 8.883 0.313 1.00 0.33 C ATOM 1143 C ALA A 499 5.305 10.351 0.728 1.00 0.33 C ATOM 1144 O ALA A 499 4.317 10.983 0.350 1.00 0.33 O ATOM 1145 CB ALA A 499 6.283 8.805 -1.018 1.00 0.33 C ATOM 0 H ALA A 499 3.874 8.122 -0.765 1.00 0.33 H new ATOM 0 HA ALA A 499 6.029 8.391 1.113 1.00 0.33 H new ATOM 0 HB1 ALA A 499 7.217 9.356 -0.910 1.00 0.33 H new ATOM 0 HB2 ALA A 499 6.502 7.763 -1.250 1.00 0.33 H new ATOM 0 HB3 ALA A 499 5.696 9.241 -1.826 1.00 0.33 H new ATOM 1151 N ALA A 500 6.275 10.934 1.521 1.00 0.18 N ATOM 1152 CA ALA A 500 6.257 12.317 2.070 1.00 0.18 C ATOM 1153 C ALA A 500 6.038 13.471 1.109 1.00 0.18 C ATOM 1154 O ALA A 500 5.239 14.360 1.377 1.00 0.18 O ATOM 1155 CB ALA A 500 7.505 12.630 2.925 1.00 0.18 C ATOM 0 H ALA A 500 7.114 10.423 1.796 1.00 0.18 H new ATOM 0 HA ALA A 500 5.350 12.272 2.672 1.00 0.18 H new ATOM 0 HB1 ALA A 500 7.442 13.651 3.301 1.00 0.18 H new ATOM 0 HB2 ALA A 500 7.554 11.936 3.764 1.00 0.18 H new ATOM 0 HB3 ALA A 500 8.401 12.524 2.314 1.00 0.18 H new ATOM 1161 N GLY A 501 6.740 13.451 -0.051 1.00 0.15 N ATOM 1162 CA GLY A 501 6.605 14.421 -1.122 1.00 0.15 C ATOM 1163 C GLY A 501 6.047 13.802 -2.361 1.00 0.15 C ATOM 1164 O GLY A 501 6.469 14.136 -3.463 1.00 0.15 O ATOM 0 H GLY A 501 7.432 12.730 -0.255 1.00 0.15 H new ATOM 0 HA2 GLY A 501 5.955 15.234 -0.797 1.00 0.15 H new ATOM 0 HA3 GLY A 501 7.579 14.859 -1.341 1.00 0.15 H new ATOM 1168 N ALA A 502 5.059 12.882 -2.235 1.00 0.13 N ATOM 1169 CA ALA A 502 4.422 12.171 -3.339 1.00 0.13 C ATOM 1170 C ALA A 502 3.489 12.950 -4.262 1.00 0.13 C ATOM 1171 O ALA A 502 3.019 12.430 -5.270 1.00 0.13 O ATOM 1172 CB ALA A 502 3.516 11.085 -2.730 1.00 0.13 C ATOM 0 H ALA A 502 4.681 12.615 -1.326 1.00 0.13 H new ATOM 0 HA ALA A 502 5.268 11.847 -3.945 1.00 0.13 H new ATOM 0 HB1 ALA A 502 3.023 10.532 -3.530 1.00 0.13 H new ATOM 0 HB2 ALA A 502 4.119 10.400 -2.134 1.00 0.13 H new ATOM 0 HB3 ALA A 502 2.764 11.553 -2.095 1.00 0.13 H new ATOM 1178 N GLY A 503 3.083 14.172 -3.830 1.00 0.12 N ATOM 1179 CA GLY A 503 1.944 14.917 -4.361 1.00 0.12 C ATOM 1180 C GLY A 503 0.797 14.846 -3.377 1.00 0.12 C ATOM 1181 O GLY A 503 -0.208 15.536 -3.511 1.00 0.12 O ATOM 0 H GLY A 503 3.563 14.669 -3.080 1.00 0.12 H new ATOM 0 HA2 GLY A 503 2.224 15.956 -4.536 1.00 0.12 H new ATOM 0 HA3 GLY A 503 1.640 14.502 -5.322 1.00 0.12 H new ATOM 1185 N ALA A 504 0.960 13.992 -2.334 1.00 0.14 N ATOM 1186 CA ALA A 504 0.062 13.783 -1.217 1.00 0.14 C ATOM 1187 C ALA A 504 0.679 14.380 0.050 1.00 0.14 C ATOM 1188 O ALA A 504 1.893 14.398 0.244 1.00 0.14 O ATOM 1189 CB ALA A 504 -0.241 12.280 -1.035 1.00 0.14 C ATOM 0 H ALA A 504 1.787 13.399 -2.267 1.00 0.14 H new ATOM 0 HA ALA A 504 -0.884 14.286 -1.417 1.00 0.14 H new ATOM 0 HB1 ALA A 504 -0.917 12.145 -0.191 1.00 0.14 H new ATOM 0 HB2 ALA A 504 -0.708 11.891 -1.940 1.00 0.14 H new ATOM 0 HB3 ALA A 504 0.688 11.742 -0.846 1.00 0.14 H new ATOM 1195 N THR A 505 -0.207 14.892 0.938 1.00 0.22 N ATOM 1196 CA THR A 505 0.065 15.597 2.192 1.00 0.22 C ATOM 1197 C THR A 505 0.166 14.638 3.370 1.00 0.22 C ATOM 1198 O THR A 505 -0.230 13.479 3.287 1.00 0.22 O ATOM 1199 CB THR A 505 -0.932 16.751 2.417 1.00 0.22 C ATOM 1200 OG1 THR A 505 -0.709 17.591 3.557 1.00 0.22 O ATOM 1201 CG2 THR A 505 -2.335 16.186 2.525 1.00 0.22 C ATOM 0 H THR A 505 -1.210 14.810 0.772 1.00 0.22 H new ATOM 0 HA THR A 505 1.047 16.062 2.111 1.00 0.22 H new ATOM 0 HB THR A 505 -0.784 17.395 1.550 1.00 0.22 H new ATOM 0 HG1 THR A 505 -1.401 18.284 3.593 1.00 0.22 H new ATOM 0 HG21 THR A 505 -3.043 16.999 2.684 1.00 0.22 H new ATOM 0 HG22 THR A 505 -2.587 15.660 1.604 1.00 0.22 H new ATOM 0 HG23 THR A 505 -2.384 15.492 3.364 1.00 0.22 H new ATOM 1209 N HIS A 506 0.667 15.119 4.537 1.00 0.30 N ATOM 1210 CA HIS A 506 0.690 14.372 5.788 1.00 0.30 C ATOM 1211 C HIS A 506 -0.615 14.704 6.501 1.00 0.30 C ATOM 1212 O HIS A 506 -0.823 15.803 7.016 1.00 0.30 O ATOM 1213 CB HIS A 506 1.986 14.600 6.630 1.00 0.30 C ATOM 1214 CG HIS A 506 1.870 14.768 8.132 1.00 0.30 C ATOM 1215 ND1 HIS A 506 2.077 13.732 9.023 1.00 0.30 N ATOM 1216 CD2 HIS A 506 1.497 15.833 8.890 1.00 0.30 C ATOM 1217 CE1 HIS A 506 1.848 14.222 10.263 1.00 0.30 C ATOM 1218 NE2 HIS A 506 1.495 15.490 10.231 1.00 0.30 N ATOM 0 H HIS A 506 1.069 16.053 4.619 1.00 0.30 H new ATOM 0 HA HIS A 506 0.742 13.299 5.606 1.00 0.30 H new ATOM 0 HB2 HIS A 506 2.651 13.757 6.444 1.00 0.30 H new ATOM 0 HB3 HIS A 506 2.481 15.488 6.237 1.00 0.30 H new ATOM 0 HD2 HIS A 506 1.239 16.807 8.502 1.00 0.30 H new ATOM 0 HE1 HIS A 506 1.943 13.643 11.170 1.00 0.30 H new ATOM 0 HE2 HIS A 506 1.269 16.090 11.024 1.00 0.30 H new ATOM 1226 N SER A 507 -1.547 13.718 6.475 1.00 0.26 N ATOM 1227 CA SER A 507 -2.881 13.863 7.061 1.00 0.26 C ATOM 1228 C SER A 507 -3.439 12.628 7.743 1.00 0.26 C ATOM 1229 O SER A 507 -4.370 12.018 7.204 1.00 0.26 O ATOM 1230 CB SER A 507 -3.926 14.403 6.069 1.00 0.26 C ATOM 1231 OG SER A 507 -4.908 15.244 6.685 1.00 0.26 O ATOM 0 H SER A 507 -1.384 12.807 6.046 1.00 0.26 H new ATOM 0 HA SER A 507 -2.703 14.601 7.843 1.00 0.26 H new ATOM 0 HB2 SER A 507 -3.417 14.964 5.285 1.00 0.26 H new ATOM 0 HB3 SER A 507 -4.427 13.564 5.587 1.00 0.26 H new ATOM 0 HG SER A 507 -5.542 15.557 6.007 1.00 0.26 H new ATOM 1237 N PRO A 508 -2.940 12.129 8.889 1.00 0.20 N ATOM 1238 CA PRO A 508 -3.489 10.951 9.576 1.00 0.20 C ATOM 1239 C PRO A 508 -4.872 11.205 10.230 1.00 0.20 C ATOM 1240 O PRO A 508 -5.115 12.334 10.652 1.00 0.20 O ATOM 1241 CB PRO A 508 -2.408 10.597 10.600 1.00 0.20 C ATOM 1242 CG PRO A 508 -1.154 11.142 9.935 1.00 0.20 C ATOM 1243 CD PRO A 508 -1.656 12.509 9.472 1.00 0.20 C ATOM 0 HA PRO A 508 -3.698 10.136 8.883 1.00 0.20 H new ATOM 0 HB2 PRO A 508 -2.593 11.064 11.567 1.00 0.20 H new ATOM 0 HB3 PRO A 508 -2.345 9.523 10.772 1.00 0.20 H new ATOM 0 HG2 PRO A 508 -0.317 11.221 10.629 1.00 0.20 H new ATOM 0 HG3 PRO A 508 -0.821 10.519 9.104 1.00 0.20 H new ATOM 0 HD2 PRO A 508 -1.766 13.213 10.297 1.00 0.20 H new ATOM 0 HD3 PRO A 508 -0.990 12.972 8.744 1.00 0.20 H new ATOM 1251 N PRO A 509 -5.778 10.223 10.341 1.00 0.37 N ATOM 1252 CA PRO A 509 -5.613 8.825 9.955 1.00 0.37 C ATOM 1253 C PRO A 509 -6.099 8.585 8.517 1.00 0.37 C ATOM 1254 O PRO A 509 -6.646 7.522 8.253 1.00 0.37 O ATOM 1255 CB PRO A 509 -6.525 8.147 10.996 1.00 0.37 C ATOM 1256 CG PRO A 509 -7.714 9.107 11.178 1.00 0.37 C ATOM 1257 CD PRO A 509 -7.108 10.486 10.893 1.00 0.37 C ATOM 0 HA PRO A 509 -4.586 8.461 9.951 1.00 0.37 H new ATOM 0 HB2 PRO A 509 -6.858 7.169 10.650 1.00 0.37 H new ATOM 0 HB3 PRO A 509 -5.999 7.989 11.937 1.00 0.37 H new ATOM 0 HG2 PRO A 509 -8.526 8.875 10.489 1.00 0.37 H new ATOM 0 HG3 PRO A 509 -8.125 9.050 12.186 1.00 0.37 H new ATOM 0 HD2 PRO A 509 -7.722 11.046 10.188 1.00 0.37 H new ATOM 0 HD3 PRO A 509 -7.044 11.082 11.803 1.00 0.37 H new ATOM 1265 N THR A 510 -5.929 9.543 7.569 1.00 0.65 N ATOM 1266 CA THR A 510 -6.486 9.465 6.216 1.00 0.65 C ATOM 1267 C THR A 510 -5.460 9.377 5.107 1.00 0.65 C ATOM 1268 O THR A 510 -5.696 8.693 4.111 1.00 0.65 O ATOM 1269 CB THR A 510 -7.460 10.621 5.936 1.00 0.65 C ATOM 1270 OG1 THR A 510 -6.955 11.928 6.264 1.00 0.65 O ATOM 1271 CG2 THR A 510 -8.712 10.393 6.804 1.00 0.65 C ATOM 0 H THR A 510 -5.394 10.395 7.736 1.00 0.65 H new ATOM 0 HA THR A 510 -7.025 8.517 6.205 1.00 0.65 H new ATOM 0 HB THR A 510 -7.649 10.612 4.863 1.00 0.65 H new ATOM 0 HG1 THR A 510 -6.018 11.856 6.543 1.00 0.65 H new ATOM 0 HG21 THR A 510 -9.427 11.197 6.630 1.00 0.65 H new ATOM 0 HG22 THR A 510 -9.168 9.439 6.541 1.00 0.65 H new ATOM 0 HG23 THR A 510 -8.428 10.381 7.856 1.00 0.65 H new ATOM 1279 N ASP A 511 -4.322 10.095 5.264 1.00 0.62 N ATOM 1280 CA ASP A 511 -3.243 10.212 4.309 1.00 0.62 C ATOM 1281 C ASP A 511 -2.027 10.009 5.168 1.00 0.62 C ATOM 1282 O ASP A 511 -1.587 10.914 5.876 1.00 0.62 O ATOM 1283 CB ASP A 511 -3.213 11.657 3.680 1.00 0.62 C ATOM 1284 CG ASP A 511 -3.154 11.558 2.156 1.00 0.62 C ATOM 1285 OD1 ASP A 511 -2.175 10.949 1.646 1.00 0.62 O ATOM 1286 OD2 ASP A 511 -4.082 12.083 1.486 1.00 0.62 O ATOM 0 H ASP A 511 -4.143 10.630 6.114 1.00 0.62 H new ATOM 0 HA ASP A 511 -3.325 9.512 3.477 1.00 0.62 H new ATOM 0 HB2 ASP A 511 -4.100 12.214 3.983 1.00 0.62 H new ATOM 0 HB3 ASP A 511 -2.348 12.207 4.051 1.00 0.62 H new ATOM 1291 N LEU A 512 -1.405 8.820 5.122 1.00 0.38 N ATOM 1292 CA LEU A 512 -0.272 8.541 5.987 1.00 0.38 C ATOM 1293 C LEU A 512 1.003 8.532 5.189 1.00 0.38 C ATOM 1294 O LEU A 512 1.191 7.651 4.357 1.00 0.38 O ATOM 1295 CB LEU A 512 -0.488 7.238 6.723 1.00 0.38 C ATOM 1296 CG LEU A 512 -1.730 7.394 7.608 1.00 0.38 C ATOM 1297 CD1 LEU A 512 -2.785 6.420 7.104 1.00 0.38 C ATOM 1298 CD2 LEU A 512 -1.360 7.355 9.086 1.00 0.38 C ATOM 0 H LEU A 512 -1.670 8.054 4.502 1.00 0.38 H new ATOM 0 HA LEU A 512 -0.184 9.330 6.734 1.00 0.38 H new ATOM 0 HB2 LEU A 512 -0.624 6.419 6.016 1.00 0.38 H new ATOM 0 HB3 LEU A 512 0.384 6.994 7.330 1.00 0.38 H new ATOM 0 HG LEU A 512 -2.191 8.378 7.529 1.00 0.38 H new ATOM 0 HD11 LEU A 512 -3.683 6.508 7.716 1.00 0.38 H new ATOM 0 HD12 LEU A 512 -3.028 6.651 6.067 1.00 0.38 H new ATOM 0 HD13 LEU A 512 -2.401 5.402 7.168 1.00 0.38 H new ATOM 0 HD21 LEU A 512 -2.261 7.468 9.690 1.00 0.38 H new ATOM 0 HD22 LEU A 512 -0.885 6.401 9.317 1.00 0.38 H new ATOM 0 HD23 LEU A 512 -0.669 8.168 9.310 1.00 0.38 H new ATOM 1310 N VAL A 513 1.916 9.514 5.400 1.00 0.38 N ATOM 1311 CA VAL A 513 3.153 9.629 4.633 1.00 0.38 C ATOM 1312 C VAL A 513 4.367 9.042 5.345 1.00 0.38 C ATOM 1313 O VAL A 513 4.383 8.886 6.567 1.00 0.38 O ATOM 1314 CB VAL A 513 3.429 11.016 4.100 1.00 0.38 C ATOM 1315 CG1 VAL A 513 2.348 11.444 3.087 1.00 0.38 C ATOM 1316 CG2 VAL A 513 3.595 11.958 5.263 1.00 0.38 C ATOM 0 H VAL A 513 1.803 10.240 6.108 1.00 0.38 H new ATOM 0 HA VAL A 513 2.973 9.007 3.756 1.00 0.38 H new ATOM 0 HB VAL A 513 4.361 11.034 3.536 1.00 0.38 H new ATOM 0 HG11 VAL A 513 2.570 12.446 2.719 1.00 0.38 H new ATOM 0 HG12 VAL A 513 2.335 10.745 2.251 1.00 0.38 H new ATOM 0 HG13 VAL A 513 1.373 11.445 3.574 1.00 0.38 H new ATOM 0 HG21 VAL A 513 3.795 12.963 4.891 1.00 0.38 H new ATOM 0 HG22 VAL A 513 2.682 11.966 5.858 1.00 0.38 H new ATOM 0 HG23 VAL A 513 4.429 11.628 5.883 1.00 0.38 H new ATOM 1326 N TRP A 514 5.407 8.700 4.553 1.00 0.57 N ATOM 1327 CA TRP A 514 6.667 8.105 4.996 1.00 0.57 C ATOM 1328 C TRP A 514 7.879 8.893 4.512 1.00 0.57 C ATOM 1329 O TRP A 514 7.846 9.642 3.545 1.00 0.57 O ATOM 1330 CB TRP A 514 6.677 6.596 4.658 1.00 0.57 C ATOM 1331 CG TRP A 514 7.960 5.802 4.765 1.00 0.57 C ATOM 1332 CD1 TRP A 514 8.822 5.612 3.743 1.00 0.57 C ATOM 1333 CD2 TRP A 514 8.511 5.098 5.886 1.00 0.57 C ATOM 1334 NE1 TRP A 514 9.808 4.736 4.112 1.00 0.57 N ATOM 1335 CE2 TRP A 514 9.672 4.441 5.428 1.00 0.57 C ATOM 1336 CE3 TRP A 514 8.096 4.968 7.194 1.00 0.57 C ATOM 1337 CZ2 TRP A 514 10.436 3.641 6.268 1.00 0.57 C ATOM 1338 CZ3 TRP A 514 8.813 4.065 7.982 1.00 0.57 C ATOM 1339 CH2 TRP A 514 9.950 3.395 7.541 1.00 0.57 C ATOM 0 H TRP A 514 5.380 8.842 3.543 1.00 0.57 H new ATOM 0 HA TRP A 514 6.745 8.172 6.081 1.00 0.57 H new ATOM 0 HB2 TRP A 514 5.944 6.115 5.305 1.00 0.57 H new ATOM 0 HB3 TRP A 514 6.316 6.491 3.635 1.00 0.57 H new ATOM 0 HD1 TRP A 514 8.745 6.083 2.774 1.00 0.57 H new ATOM 0 HE1 TRP A 514 10.530 4.365 3.495 1.00 0.57 H new ATOM 0 HE3 TRP A 514 7.263 5.533 7.587 1.00 0.57 H new ATOM 0 HZ2 TRP A 514 11.377 3.225 5.939 1.00 0.57 H new ATOM 0 HZ3 TRP A 514 8.466 3.877 8.987 1.00 0.57 H new ATOM 0 HH2 TRP A 514 10.450 2.688 8.187 1.00 0.57 H new ATOM 1350 N LYS A 515 8.972 8.727 5.289 1.00 0.60 N ATOM 1351 CA LYS A 515 10.242 9.443 5.243 1.00 0.60 C ATOM 1352 C LYS A 515 11.339 8.861 4.369 1.00 0.60 C ATOM 1353 O LYS A 515 12.027 9.590 3.657 1.00 0.60 O ATOM 1354 CB LYS A 515 10.789 9.638 6.685 1.00 0.60 C ATOM 1355 CG LYS A 515 9.831 10.458 7.569 1.00 0.60 C ATOM 1356 CD LYS A 515 10.328 10.641 9.014 1.00 0.60 C ATOM 1357 CE LYS A 515 11.626 11.453 9.167 1.00 0.60 C ATOM 1358 NZ LYS A 515 11.474 12.825 8.627 1.00 0.60 N ATOM 0 H LYS A 515 8.976 8.023 6.027 1.00 0.60 H new ATOM 0 HA LYS A 515 9.986 10.386 4.760 1.00 0.60 H new ATOM 0 HB2 LYS A 515 10.956 8.663 7.142 1.00 0.60 H new ATOM 0 HB3 LYS A 515 11.756 10.139 6.639 1.00 0.60 H new ATOM 0 HG2 LYS A 515 9.684 11.439 7.118 1.00 0.60 H new ATOM 0 HG3 LYS A 515 8.858 9.967 7.588 1.00 0.60 H new ATOM 0 HD2 LYS A 515 9.543 11.130 9.591 1.00 0.60 H new ATOM 0 HD3 LYS A 515 10.481 9.656 9.455 1.00 0.60 H new ATOM 0 HE2 LYS A 515 11.903 11.504 10.220 1.00 0.60 H new ATOM 0 HE3 LYS A 515 12.438 10.944 8.648 1.00 0.60 H new ATOM 0 HZ1 LYS A 515 12.337 13.372 8.821 1.00 0.60 H new ATOM 0 HZ2 LYS A 515 11.318 12.778 7.600 1.00 0.60 H new ATOM 0 HZ3 LYS A 515 10.661 13.288 9.080 1.00 0.60 H new ATOM 1372 N ALA A 516 11.554 7.520 4.443 1.00 0.54 N ATOM 1373 CA ALA A 516 12.663 6.801 3.796 1.00 0.54 C ATOM 1374 C ALA A 516 12.463 6.458 2.315 1.00 0.54 C ATOM 1375 O ALA A 516 13.373 6.013 1.623 1.00 0.54 O ATOM 1376 CB ALA A 516 13.085 5.572 4.626 1.00 0.54 C ATOM 0 H ALA A 516 10.939 6.901 4.971 1.00 0.54 H new ATOM 0 HA ALA A 516 13.484 7.517 3.780 1.00 0.54 H new ATOM 0 HB1 ALA A 516 13.906 5.059 4.125 1.00 0.54 H new ATOM 0 HB2 ALA A 516 13.409 5.895 5.615 1.00 0.54 H new ATOM 0 HB3 ALA A 516 12.239 4.892 4.725 1.00 0.54 H new ATOM 1382 N GLN A 517 11.247 6.742 1.792 1.00 0.69 N ATOM 1383 CA GLN A 517 10.892 6.732 0.392 1.00 0.69 C ATOM 1384 C GLN A 517 10.097 7.998 0.416 1.00 0.69 C ATOM 1385 O GLN A 517 8.906 8.010 0.717 1.00 0.69 O ATOM 1386 CB GLN A 517 10.106 5.509 -0.172 1.00 0.69 C ATOM 1387 CG GLN A 517 10.983 4.734 -1.186 1.00 0.69 C ATOM 1388 CD GLN A 517 10.176 4.030 -2.284 1.00 0.69 C ATOM 1389 OE1 GLN A 517 9.608 4.679 -3.165 1.00 0.69 O ATOM 1390 NE2 GLN A 517 10.188 2.678 -2.271 1.00 0.69 N ATOM 0 H GLN A 517 10.458 6.996 2.386 1.00 0.69 H new ATOM 0 HA GLN A 517 11.746 6.657 -0.282 1.00 0.69 H new ATOM 0 HB2 GLN A 517 9.811 4.849 0.644 1.00 0.69 H new ATOM 0 HB3 GLN A 517 9.190 5.847 -0.656 1.00 0.69 H new ATOM 0 HG2 GLN A 517 11.685 5.427 -1.650 1.00 0.69 H new ATOM 0 HG3 GLN A 517 11.575 3.992 -0.649 1.00 0.69 H new ATOM 0 HE21 GLN A 517 10.670 2.179 -1.523 1.00 0.69 H new ATOM 0 HE22 GLN A 517 9.715 2.157 -3.009 1.00 0.69 H new ATOM 1520 N ARG A 527 6.602 -4.136 -6.698 1.00 0.46 N ATOM 1521 CA ARG A 527 5.672 -5.039 -6.063 1.00 0.46 C ATOM 1522 C ARG A 527 5.429 -4.471 -4.690 1.00 0.46 C ATOM 1523 O ARG A 527 6.367 -4.113 -3.967 1.00 0.46 O ATOM 1524 CB ARG A 527 6.316 -6.450 -5.999 1.00 0.46 C ATOM 1525 CG ARG A 527 5.439 -7.559 -5.387 1.00 0.46 C ATOM 1526 CD ARG A 527 6.232 -8.608 -4.582 1.00 0.46 C ATOM 1527 NE ARG A 527 6.942 -7.948 -3.420 1.00 0.46 N ATOM 1528 CZ ARG A 527 6.338 -7.599 -2.239 1.00 0.46 C ATOM 1529 NH1 ARG A 527 5.023 -7.876 -2.009 1.00 0.46 N ATOM 1530 NH2 ARG A 527 7.068 -6.956 -1.279 1.00 0.46 N ATOM 0 HA ARG A 527 4.730 -5.138 -6.602 1.00 0.46 H new ATOM 0 HB2 ARG A 527 6.594 -6.748 -7.010 1.00 0.46 H new ATOM 0 HB3 ARG A 527 7.238 -6.382 -5.422 1.00 0.46 H new ATOM 0 HG2 ARG A 527 4.694 -7.102 -4.735 1.00 0.46 H new ATOM 0 HG3 ARG A 527 4.896 -8.063 -6.187 1.00 0.46 H new ATOM 0 HD2 ARG A 527 5.557 -9.381 -4.214 1.00 0.46 H new ATOM 0 HD3 ARG A 527 6.958 -9.101 -5.229 1.00 0.46 H new ATOM 0 HE ARG A 527 7.937 -7.749 -3.522 1.00 0.46 H new ATOM 0 HH11 ARG A 527 4.470 -8.351 -2.722 1.00 0.46 H new ATOM 0 HH12 ARG A 527 4.593 -7.608 -1.124 1.00 0.46 H new ATOM 0 HH21 ARG A 527 8.051 -6.741 -1.445 1.00 0.46 H new ATOM 0 HH22 ARG A 527 6.630 -6.691 -0.397 1.00 0.46 H new ATOM 1544 N THR A 528 4.141 -4.328 -4.316 1.00 0.24 N ATOM 1545 CA THR A 528 3.738 -3.641 -3.104 1.00 0.24 C ATOM 1546 C THR A 528 2.659 -4.457 -2.464 1.00 0.24 C ATOM 1547 O THR A 528 1.713 -4.877 -3.125 1.00 0.24 O ATOM 1548 CB THR A 528 3.195 -2.257 -3.456 1.00 0.24 C ATOM 1549 OG1 THR A 528 4.215 -1.469 -4.059 1.00 0.24 O ATOM 1550 CG2 THR A 528 2.706 -1.490 -2.221 1.00 0.24 C ATOM 0 H THR A 528 3.359 -4.693 -4.859 1.00 0.24 H new ATOM 0 HA THR A 528 4.584 -3.521 -2.427 1.00 0.24 H new ATOM 0 HB THR A 528 2.359 -2.421 -4.135 1.00 0.24 H new ATOM 0 HG1 THR A 528 3.856 -0.585 -4.282 1.00 0.24 H new ATOM 0 HG21 THR A 528 2.330 -0.513 -2.525 1.00 0.24 H new ATOM 0 HG22 THR A 528 1.907 -2.052 -1.737 1.00 0.24 H new ATOM 0 HG23 THR A 528 3.533 -1.359 -1.523 1.00 0.24 H new ATOM 1558 N ALA A 529 2.737 -4.689 -1.135 1.00 0.22 N ATOM 1559 CA ALA A 529 1.705 -5.461 -0.486 1.00 0.22 C ATOM 1560 C ALA A 529 1.579 -4.961 0.940 1.00 0.22 C ATOM 1561 O ALA A 529 2.580 -4.628 1.580 1.00 0.22 O ATOM 1562 CB ALA A 529 2.046 -6.967 -0.511 1.00 0.22 C ATOM 0 H ALA A 529 3.485 -4.357 -0.525 1.00 0.22 H new ATOM 0 HA ALA A 529 0.759 -5.338 -1.013 1.00 0.22 H new ATOM 0 HB1 ALA A 529 1.253 -7.528 -0.016 1.00 0.22 H new ATOM 0 HB2 ALA A 529 2.137 -7.302 -1.544 1.00 0.22 H new ATOM 0 HB3 ALA A 529 2.989 -7.135 0.009 1.00 0.22 H new ATOM 1568 N LEU A 530 0.332 -4.931 1.490 1.00 0.44 N ATOM 1569 CA LEU A 530 0.010 -4.635 2.882 1.00 0.44 C ATOM 1570 C LEU A 530 -0.218 -5.944 3.672 1.00 0.44 C ATOM 1571 O LEU A 530 -0.891 -6.880 3.210 1.00 0.44 O ATOM 1572 CB LEU A 530 -1.186 -3.608 2.927 1.00 0.44 C ATOM 1573 CG LEU A 530 -1.692 -3.088 4.299 1.00 0.44 C ATOM 1574 CD1 LEU A 530 -2.796 -4.014 4.844 1.00 0.44 C ATOM 1575 CD2 LEU A 530 -0.550 -2.844 5.292 1.00 0.44 C ATOM 0 H LEU A 530 -0.501 -5.124 0.934 1.00 0.44 H new ATOM 0 HA LEU A 530 0.845 -4.149 3.387 1.00 0.44 H new ATOM 0 HB2 LEU A 530 -0.894 -2.740 2.336 1.00 0.44 H new ATOM 0 HB3 LEU A 530 -2.033 -4.070 2.419 1.00 0.44 H new ATOM 0 HG LEU A 530 -2.140 -2.106 4.150 1.00 0.44 H new ATOM 0 HD11 LEU A 530 -3.143 -3.639 5.807 1.00 0.44 H new ATOM 0 HD12 LEU A 530 -3.630 -4.038 4.142 1.00 0.44 H new ATOM 0 HD13 LEU A 530 -2.397 -5.021 4.969 1.00 0.44 H new ATOM 0 HD21 LEU A 530 -0.959 -2.481 6.235 1.00 0.44 H new ATOM 0 HD22 LEU A 530 -0.012 -3.776 5.464 1.00 0.44 H new ATOM 0 HD23 LEU A 530 0.135 -2.101 4.884 1.00 0.44 H new ATOM 1587 N ILE A 531 0.320 -5.981 4.942 1.00 0.48 N ATOM 1588 CA ILE A 531 0.160 -6.981 5.986 1.00 0.48 C ATOM 1589 C ILE A 531 -0.902 -6.388 6.885 1.00 0.48 C ATOM 1590 O ILE A 531 -0.688 -5.267 7.369 1.00 0.48 O ATOM 1591 CB ILE A 531 1.421 -7.192 6.845 1.00 0.48 C ATOM 1592 CG1 ILE A 531 2.689 -7.424 6.020 1.00 0.48 C ATOM 1593 CG2 ILE A 531 1.255 -8.363 7.811 1.00 0.48 C ATOM 1594 CD1 ILE A 531 2.602 -8.481 4.916 1.00 0.48 C ATOM 0 H ILE A 531 0.929 -5.226 5.258 1.00 0.48 H new ATOM 0 HA ILE A 531 -0.072 -7.948 5.540 1.00 0.48 H new ATOM 0 HB ILE A 531 1.539 -6.260 7.398 1.00 0.48 H new ATOM 0 HG12 ILE A 531 2.977 -6.477 5.564 1.00 0.48 H new ATOM 0 HG13 ILE A 531 3.492 -7.707 6.701 1.00 0.48 H new ATOM 0 HG21 ILE A 531 2.165 -8.481 8.400 1.00 0.48 H new ATOM 0 HG22 ILE A 531 0.414 -8.169 8.477 1.00 0.48 H new ATOM 0 HG23 ILE A 531 1.067 -9.276 7.247 1.00 0.48 H new ATOM 0 HD11 ILE A 531 3.562 -8.552 4.404 1.00 0.48 H new ATOM 0 HD12 ILE A 531 2.352 -9.447 5.356 1.00 0.48 H new ATOM 0 HD13 ILE A 531 1.830 -8.198 4.201 1.00 0.48 H new ATOM 1606 N ASN A 532 -2.011 -7.164 7.107 1.00 0.42 N ATOM 1607 CA ASN A 532 -3.217 -6.930 7.894 1.00 0.42 C ATOM 1608 C ASN A 532 -2.998 -6.531 9.354 1.00 0.42 C ATOM 1609 O ASN A 532 -1.910 -6.245 9.843 1.00 0.42 O ATOM 1610 CB ASN A 532 -4.236 -8.146 7.824 1.00 0.42 C ATOM 1611 CG ASN A 532 -3.979 -9.363 8.739 1.00 0.42 C ATOM 1612 OD1 ASN A 532 -2.907 -9.492 9.322 1.00 0.42 O ATOM 1613 ND2 ASN A 532 -4.983 -10.251 8.935 1.00 0.42 N ATOM 0 H ASN A 532 -2.061 -8.084 6.669 1.00 0.42 H new ATOM 0 HA ASN A 532 -3.648 -6.056 7.406 1.00 0.42 H new ATOM 0 HB2 ASN A 532 -5.230 -7.762 8.052 1.00 0.42 H new ATOM 0 HB3 ASN A 532 -4.260 -8.502 6.794 1.00 0.42 H new ATOM 0 HD21 ASN A 532 -4.852 -11.036 9.572 1.00 0.42 H new ATOM 0 HD22 ASN A 532 -5.870 -10.134 8.445 1.00 0.42 H new ATOM 1620 N SER A 533 -4.094 -6.604 10.133 1.00 0.53 N ATOM 1621 CA SER A 533 -4.136 -6.390 11.556 1.00 0.53 C ATOM 1622 C SER A 533 -3.629 -7.539 12.473 1.00 0.53 C ATOM 1623 O SER A 533 -3.665 -7.388 13.691 1.00 0.53 O ATOM 1624 CB SER A 533 -5.621 -6.128 11.947 1.00 0.53 C ATOM 1625 OG SER A 533 -6.552 -7.065 11.392 1.00 0.53 O ATOM 0 H SER A 533 -5.012 -6.827 9.747 1.00 0.53 H new ATOM 0 HA SER A 533 -3.448 -5.562 11.726 1.00 0.53 H new ATOM 0 HB2 SER A 533 -5.707 -6.148 13.033 1.00 0.53 H new ATOM 0 HB3 SER A 533 -5.898 -5.124 11.624 1.00 0.53 H new ATOM 0 HG SER A 533 -7.459 -6.836 11.683 1.00 0.53 H new ATOM 1631 N THR A 534 -3.210 -8.717 11.938 1.00 0.57 N ATOM 1632 CA THR A 534 -2.777 -9.893 12.732 1.00 0.57 C ATOM 1633 C THR A 534 -1.513 -10.520 12.154 1.00 0.57 C ATOM 1634 O THR A 534 -1.191 -11.676 12.427 1.00 0.57 O ATOM 1635 CB THR A 534 -3.841 -11.006 12.910 1.00 0.57 C ATOM 1636 OG1 THR A 534 -4.301 -11.571 11.680 1.00 0.57 O ATOM 1637 CG2 THR A 534 -5.071 -10.465 13.655 1.00 0.57 C ATOM 0 H THR A 534 -3.164 -8.876 10.931 1.00 0.57 H new ATOM 0 HA THR A 534 -2.592 -9.476 13.722 1.00 0.57 H new ATOM 0 HB THR A 534 -3.336 -11.788 13.478 1.00 0.57 H new ATOM 0 HG1 THR A 534 -4.967 -12.265 11.868 1.00 0.57 H new ATOM 0 HG21 THR A 534 -5.806 -11.261 13.770 1.00 0.57 H new ATOM 0 HG22 THR A 534 -4.771 -10.104 14.639 1.00 0.57 H new ATOM 0 HG23 THR A 534 -5.510 -9.646 13.086 1.00 0.57 H new ATOM 1645 N GLY A 535 -0.829 -9.759 11.273 1.00 0.49 N ATOM 1646 CA GLY A 535 0.331 -10.119 10.461 1.00 0.49 C ATOM 1647 C GLY A 535 0.189 -11.147 9.348 1.00 0.49 C ATOM 1648 O GLY A 535 1.087 -11.944 9.112 1.00 0.49 O ATOM 0 H GLY A 535 -1.107 -8.792 11.104 1.00 0.49 H new ATOM 0 HA2 GLY A 535 0.708 -9.202 10.009 1.00 0.49 H new ATOM 0 HA3 GLY A 535 1.103 -10.481 11.140 1.00 0.49 H new ATOM 1652 N GLU A 536 -0.931 -11.129 8.592 1.00 0.56 N ATOM 1653 CA GLU A 536 -1.247 -11.923 7.437 1.00 0.56 C ATOM 1654 C GLU A 536 -1.348 -10.936 6.303 1.00 0.56 C ATOM 1655 O GLU A 536 -2.014 -9.918 6.436 1.00 0.56 O ATOM 1656 CB GLU A 536 -2.625 -12.627 7.550 1.00 0.56 C ATOM 1657 CG GLU A 536 -2.693 -13.439 8.847 1.00 0.56 C ATOM 1658 CD GLU A 536 -4.021 -14.179 8.954 1.00 0.56 C ATOM 1659 OE1 GLU A 536 -5.080 -13.498 9.002 1.00 0.56 O ATOM 1660 OE2 GLU A 536 -3.997 -15.439 8.990 1.00 0.56 O ATOM 0 H GLU A 536 -1.693 -10.490 8.817 1.00 0.56 H new ATOM 0 HA GLU A 536 -0.491 -12.698 7.309 1.00 0.56 H new ATOM 0 HB2 GLU A 536 -3.424 -11.886 7.533 1.00 0.56 H new ATOM 0 HB3 GLU A 536 -2.780 -13.282 6.693 1.00 0.56 H new ATOM 0 HG2 GLU A 536 -1.870 -14.153 8.878 1.00 0.56 H new ATOM 0 HG3 GLU A 536 -2.571 -12.776 9.703 1.00 0.56 H new ATOM 1667 N GLU A 537 -0.743 -11.222 5.143 1.00 0.57 N ATOM 1668 CA GLU A 537 -0.851 -10.433 3.900 1.00 0.57 C ATOM 1669 C GLU A 537 -2.250 -10.510 3.278 1.00 0.57 C ATOM 1670 O GLU A 537 -2.787 -11.581 3.004 1.00 0.57 O ATOM 1671 CB GLU A 537 0.205 -10.815 2.849 1.00 0.57 C ATOM 1672 CG GLU A 537 0.415 -9.744 1.761 1.00 0.57 C ATOM 1673 CD GLU A 537 1.390 -10.261 0.703 1.00 0.57 C ATOM 1674 OE1 GLU A 537 2.574 -10.508 1.060 1.00 0.57 O ATOM 1675 OE2 GLU A 537 0.968 -10.405 -0.475 1.00 0.57 O ATOM 0 H GLU A 537 -0.142 -12.039 5.036 1.00 0.57 H new ATOM 0 HA GLU A 537 -0.662 -9.404 4.205 1.00 0.57 H new ATOM 0 HB2 GLU A 537 1.154 -11.000 3.352 1.00 0.57 H new ATOM 0 HB3 GLU A 537 -0.091 -11.750 2.373 1.00 0.57 H new ATOM 0 HG2 GLU A 537 -0.539 -9.493 1.297 1.00 0.57 H new ATOM 0 HG3 GLU A 537 0.803 -8.829 2.209 1.00 0.57 H new ATOM 1682 N VAL A 538 -2.897 -9.337 3.118 1.00 0.44 N ATOM 1683 CA VAL A 538 -4.305 -9.259 2.693 1.00 0.44 C ATOM 1684 C VAL A 538 -4.631 -8.343 1.538 1.00 0.44 C ATOM 1685 O VAL A 538 -5.713 -8.410 0.988 1.00 0.44 O ATOM 1686 CB VAL A 538 -5.290 -8.944 3.833 1.00 0.44 C ATOM 1687 CG1 VAL A 538 -5.217 -9.969 4.984 1.00 0.44 C ATOM 1688 CG2 VAL A 538 -5.110 -7.498 4.326 1.00 0.44 C ATOM 0 H VAL A 538 -2.462 -8.428 3.278 1.00 0.44 H new ATOM 0 HA VAL A 538 -4.440 -10.280 2.337 1.00 0.44 H new ATOM 0 HB VAL A 538 -6.297 -9.033 3.425 1.00 0.44 H new ATOM 0 HG11 VAL A 538 -5.933 -9.697 5.759 1.00 0.44 H new ATOM 0 HG12 VAL A 538 -5.455 -10.962 4.603 1.00 0.44 H new ATOM 0 HG13 VAL A 538 -4.211 -9.973 5.404 1.00 0.44 H new ATOM 0 HG21 VAL A 538 -5.816 -7.298 5.132 1.00 0.44 H new ATOM 0 HG22 VAL A 538 -4.093 -7.363 4.693 1.00 0.44 H new ATOM 0 HG23 VAL A 538 -5.293 -6.807 3.503 1.00 0.44 H new ATOM 1698 N ALA A 539 -3.798 -7.387 1.141 1.00 0.31 N ATOM 1699 CA ALA A 539 -4.146 -6.551 -0.003 1.00 0.31 C ATOM 1700 C ALA A 539 -2.894 -6.094 -0.658 1.00 0.31 C ATOM 1701 O ALA A 539 -2.028 -5.457 -0.055 1.00 0.31 O ATOM 1702 CB ALA A 539 -5.158 -5.426 0.262 1.00 0.31 C ATOM 0 H ALA A 539 -2.902 -7.175 1.579 1.00 0.31 H new ATOM 0 HA ALA A 539 -4.712 -7.176 -0.693 1.00 0.31 H new ATOM 0 HB1 ALA A 539 -5.338 -4.874 -0.660 1.00 0.31 H new ATOM 0 HB2 ALA A 539 -6.095 -5.856 0.616 1.00 0.31 H new ATOM 0 HB3 ALA A 539 -4.760 -4.749 1.018 1.00 0.31 H new ATOM 1708 N MET A 540 -2.773 -6.452 -1.944 1.00 0.46 N ATOM 1709 CA MET A 540 -1.588 -6.176 -2.731 1.00 0.46 C ATOM 1710 C MET A 540 -1.819 -5.638 -4.134 1.00 0.46 C ATOM 1711 O MET A 540 -2.880 -5.783 -4.744 1.00 0.46 O ATOM 1712 CB MET A 540 -0.671 -7.418 -2.765 1.00 0.46 C ATOM 1713 CG MET A 540 -1.151 -8.650 -3.522 1.00 0.46 C ATOM 1714 SD MET A 540 0.188 -9.603 -4.329 1.00 0.46 S ATOM 1715 CE MET A 540 0.969 -8.313 -5.372 1.00 0.46 C ATOM 0 H MET A 540 -3.504 -6.943 -2.459 1.00 0.46 H new ATOM 0 HA MET A 540 -1.103 -5.349 -2.213 1.00 0.46 H new ATOM 0 HB2 MET A 540 0.284 -7.115 -3.195 1.00 0.46 H new ATOM 0 HB3 MET A 540 -0.476 -7.716 -1.735 1.00 0.46 H new ATOM 0 HG2 MET A 540 -1.681 -9.304 -2.830 1.00 0.46 H new ATOM 0 HG3 MET A 540 -1.869 -8.340 -4.281 1.00 0.46 H new ATOM 0 HE1 MET A 540 1.456 -8.782 -6.227 1.00 0.46 H new ATOM 0 HE2 MET A 540 0.206 -7.619 -5.724 1.00 0.46 H new ATOM 0 HE3 MET A 540 1.710 -7.770 -4.785 1.00 0.46 H new ATOM 1725 N ARG A 541 -0.747 -5.014 -4.677 1.00 0.63 N ATOM 1726 CA ARG A 541 -0.681 -4.418 -5.994 1.00 0.63 C ATOM 1727 C ARG A 541 0.697 -4.685 -6.572 1.00 0.63 C ATOM 1728 O ARG A 541 1.680 -4.896 -5.858 1.00 0.63 O ATOM 1729 CB ARG A 541 -0.989 -2.889 -5.919 1.00 0.63 C ATOM 1730 CG ARG A 541 -2.178 -2.466 -6.802 1.00 0.63 C ATOM 1731 CD ARG A 541 -1.884 -2.382 -8.307 1.00 0.63 C ATOM 1732 NE ARG A 541 -3.188 -2.058 -8.989 1.00 0.63 N ATOM 1733 CZ ARG A 541 -3.301 -1.325 -10.139 1.00 0.63 C ATOM 1734 NH1 ARG A 541 -2.199 -0.853 -10.787 1.00 0.63 N ATOM 1735 NH2 ARG A 541 -4.545 -1.050 -10.633 1.00 0.63 N ATOM 0 H ARG A 541 0.131 -4.918 -4.166 1.00 0.63 H new ATOM 0 HA ARG A 541 -1.433 -4.861 -6.647 1.00 0.63 H new ATOM 0 HB2 ARG A 541 -1.198 -2.617 -4.884 1.00 0.63 H new ATOM 0 HB3 ARG A 541 -0.103 -2.331 -6.222 1.00 0.63 H new ATOM 0 HG2 ARG A 541 -2.993 -3.173 -6.647 1.00 0.63 H new ATOM 0 HG3 ARG A 541 -2.532 -1.492 -6.463 1.00 0.63 H new ATOM 0 HD2 ARG A 541 -1.139 -1.613 -8.513 1.00 0.63 H new ATOM 0 HD3 ARG A 541 -1.479 -3.325 -8.675 1.00 0.63 H new ATOM 0 HE ARG A 541 -4.046 -2.409 -8.564 1.00 0.63 H new ATOM 0 HH11 ARG A 541 -1.268 -1.044 -10.416 1.00 0.63 H new ATOM 0 HH12 ARG A 541 -2.305 -0.309 -11.643 1.00 0.63 H new ATOM 0 HH21 ARG A 541 -5.374 -1.390 -10.145 1.00 0.63 H new ATOM 0 HH22 ARG A 541 -4.645 -0.505 -11.489 1.00 0.63 H new ATOM 1749 N LYS A 542 0.824 -4.648 -7.914 1.00 0.41 N ATOM 1750 CA LYS A 542 2.093 -4.803 -8.577 1.00 0.41 C ATOM 1751 C LYS A 542 1.977 -4.036 -9.878 1.00 0.41 C ATOM 1752 O LYS A 542 1.014 -4.197 -10.640 1.00 0.41 O ATOM 1753 CB LYS A 542 2.459 -6.302 -8.773 1.00 0.41 C ATOM 1754 CG LYS A 542 3.922 -6.621 -9.125 1.00 0.41 C ATOM 1755 CD LYS A 542 4.190 -8.137 -9.167 1.00 0.41 C ATOM 1756 CE LYS A 542 3.596 -8.848 -10.390 1.00 0.41 C ATOM 1757 NZ LYS A 542 3.852 -10.306 -10.332 1.00 0.41 N ATOM 0 H LYS A 542 0.039 -4.509 -8.550 1.00 0.41 H new ATOM 0 HA LYS A 542 2.914 -4.405 -7.981 1.00 0.41 H new ATOM 0 HB2 LYS A 542 2.207 -6.835 -7.857 1.00 0.41 H new ATOM 0 HB3 LYS A 542 1.824 -6.706 -9.562 1.00 0.41 H new ATOM 0 HG2 LYS A 542 4.165 -6.183 -10.093 1.00 0.41 H new ATOM 0 HG3 LYS A 542 4.581 -6.157 -8.391 1.00 0.41 H new ATOM 0 HD2 LYS A 542 5.267 -8.305 -9.151 1.00 0.41 H new ATOM 0 HD3 LYS A 542 3.783 -8.592 -8.264 1.00 0.41 H new ATOM 0 HE2 LYS A 542 2.522 -8.665 -10.436 1.00 0.41 H new ATOM 0 HE3 LYS A 542 4.029 -8.435 -11.301 1.00 0.41 H new ATOM 0 HZ1 LYS A 542 3.441 -10.764 -11.170 1.00 0.41 H new ATOM 0 HZ2 LYS A 542 4.878 -10.478 -10.312 1.00 0.41 H new ATOM 0 HZ3 LYS A 542 3.418 -10.701 -9.473 1.00 0.41 H new ATOM 1771 N LEU A 543 3.006 -3.193 -10.154 1.00 0.31 N ATOM 1772 CA LEU A 543 3.181 -2.464 -11.408 1.00 0.31 C ATOM 1773 C LEU A 543 4.396 -3.140 -12.031 1.00 0.31 C ATOM 1774 O LEU A 543 5.420 -3.360 -11.372 1.00 0.31 O ATOM 1775 CB LEU A 543 3.591 -0.971 -11.285 1.00 0.31 C ATOM 1776 CG LEU A 543 2.582 0.021 -10.688 1.00 0.31 C ATOM 1777 CD1 LEU A 543 3.117 1.419 -11.030 1.00 0.31 C ATOM 1778 CD2 LEU A 543 1.140 -0.078 -11.198 1.00 0.31 C ATOM 0 H LEU A 543 3.750 -3.006 -9.482 1.00 0.31 H new ATOM 0 HA LEU A 543 2.231 -2.483 -11.941 1.00 0.31 H new ATOM 0 HB2 LEU A 543 4.497 -0.925 -10.681 1.00 0.31 H new ATOM 0 HB3 LEU A 543 3.854 -0.617 -12.282 1.00 0.31 H new ATOM 0 HG LEU A 543 2.509 -0.204 -9.624 1.00 0.31 H new ATOM 0 HD11 LEU A 543 2.441 2.175 -10.631 1.00 0.31 H new ATOM 0 HD12 LEU A 543 4.106 1.548 -10.590 1.00 0.31 H new ATOM 0 HD13 LEU A 543 3.185 1.528 -12.112 1.00 0.31 H new ATOM 0 HD21 LEU A 543 0.526 0.674 -10.702 1.00 0.31 H new ATOM 0 HD22 LEU A 543 1.122 0.092 -12.274 1.00 0.31 H new ATOM 0 HD23 LEU A 543 0.745 -1.070 -10.981 1.00 0.31 H new