USER MOD reduce.3.24.130724 H: found=0, std=0, add=743, rem=0, adj=21 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= 2.16 K(o=3.2,f=-7.7!) USER MOD Set 1.2: A 534 THR OG1 : rot 5:sc= 1.06 USER MOD Set 2.1: A 463 SER OG : rot -54:sc= 0.179 USER MOD Set 2.2: A 488 THR OG1 : rot 7:sc= 0.639 USER MOD Single : A 436 THR OG1 : rot 39:sc= 0.0939 USER MOD Single : A 437 SER OG : rot -27:sc= 0.11 USER MOD Single : A 456 ASN : amide:sc= -1.82! C(o=-1.8!,f=-9.3!) USER MOD Single : A 457 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 458 SER OG : rot 180:sc= 0 USER MOD Single : A 459 ASN : amide:sc= -0.202 X(o=-0.2,f=-0.64) USER MOD Single : A 462 GLN : amide:sc= -2.12! C(o=-2.1!,f=-4.8!) USER MOD Single : A 464 MET CE :methyl 174:sc= -1.04 (180deg=-1.16) USER MOD Single : A 466 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 468 GLN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 470 LYS NZ :NH3+ -165:sc=-0.00892 (180deg=-0.199) USER MOD Single : A 472 GLN : amide:sc= -0.58 K(o=-0.58,f=-2.5!) USER MOD Single : A 480 THR OG1 : rot 23:sc= 0.215 USER MOD Single : A 481 TYR OH : rot 180:sc= 0 USER MOD Single : A 486 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0473) USER MOD Single : A 490 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0274) USER MOD Single : A 493 GLN :FLIP amide:sc= -9.62! C(o=-12!,f=-9.6!) 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= -0.4 X(o=-0.4,f=-0.046) USER MOD Single : A 507 SER OG : rot 180:sc= 0 USER MOD Single : A 510 THR OG1 : rot -4:sc= 1.18 USER MOD Single : A 515 LYS NZ :NH3+ -170:sc= -0.0118 (180deg=-0.137) USER MOD Single : A 517 GLN : amide:sc= -0.633 X(o=-0.63,f=-1.1) USER MOD Single : A 528 THR OG1 : rot -170:sc= 0.014 USER MOD Single : A 533 SER OG : rot -18:sc= 0.134 USER MOD Single : A 540 MET CE :methyl -177:sc=-0.000418 (180deg=-0.0218) USER MOD Single : A 542 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 88 N ALA A 434 -3.166 -7.082 -9.187 1.00 0.55 N ATOM 89 CA ALA A 434 -3.364 -6.851 -7.773 1.00 0.55 C ATOM 90 C ALA A 434 -4.300 -7.905 -7.239 1.00 0.55 C ATOM 91 O ALA A 434 -5.091 -8.478 -7.989 1.00 0.55 O ATOM 92 CB ALA A 434 -3.710 -5.397 -7.422 1.00 0.55 C ATOM 0 HA ALA A 434 -2.417 -6.969 -7.246 1.00 0.55 H new ATOM 0 HB1 ALA A 434 -3.843 -5.305 -6.344 1.00 0.55 H new ATOM 0 HB2 ALA A 434 -2.901 -4.742 -7.745 1.00 0.55 H new ATOM 0 HB3 ALA A 434 -4.632 -5.110 -7.927 1.00 0.55 H new ATOM 98 N ARG A 435 -4.228 -8.198 -5.916 1.00 0.93 N ATOM 99 CA ARG A 435 -5.066 -9.188 -5.252 1.00 0.93 C ATOM 100 C ARG A 435 -5.309 -8.845 -3.792 1.00 0.93 C ATOM 101 O ARG A 435 -4.464 -8.338 -3.051 1.00 0.93 O ATOM 102 CB ARG A 435 -4.481 -10.624 -5.424 1.00 0.93 C ATOM 103 CG ARG A 435 -5.339 -11.803 -4.916 1.00 0.93 C ATOM 104 CD ARG A 435 -6.731 -11.891 -5.563 1.00 0.93 C ATOM 105 NE ARG A 435 -7.480 -13.027 -4.919 1.00 0.93 N ATOM 106 CZ ARG A 435 -8.833 -13.203 -5.045 1.00 0.93 C ATOM 107 NH1 ARG A 435 -9.585 -12.346 -5.794 1.00 0.93 N ATOM 108 NH2 ARG A 435 -9.435 -14.252 -4.411 1.00 0.93 N ATOM 0 H ARG A 435 -3.572 -7.738 -5.285 1.00 0.93 H new ATOM 0 HA ARG A 435 -6.041 -9.169 -5.739 1.00 0.93 H new ATOM 0 HB2 ARG A 435 -4.283 -10.783 -6.484 1.00 0.93 H new ATOM 0 HB3 ARG A 435 -3.520 -10.661 -4.911 1.00 0.93 H new ATOM 0 HG2 ARG A 435 -4.804 -12.734 -5.102 1.00 0.93 H new ATOM 0 HG3 ARG A 435 -5.457 -11.714 -3.836 1.00 0.93 H new ATOM 0 HD2 ARG A 435 -7.272 -10.955 -5.428 1.00 0.93 H new ATOM 0 HD3 ARG A 435 -6.641 -12.056 -6.637 1.00 0.93 H new ATOM 0 HE ARG A 435 -6.954 -13.699 -4.361 1.00 0.93 H new ATOM 0 HH11 ARG A 435 -9.141 -11.561 -6.270 1.00 0.93 H new ATOM 0 HH12 ARG A 435 -10.591 -12.491 -5.878 1.00 0.93 H new ATOM 0 HH21 ARG A 435 -8.878 -14.896 -3.850 1.00 0.93 H new ATOM 0 HH22 ARG A 435 -10.442 -14.391 -4.499 1.00 0.93 H new ATOM 122 N THR A 436 -6.573 -9.091 -3.384 1.00 0.95 N ATOM 123 CA THR A 436 -7.199 -8.703 -2.138 1.00 0.95 C ATOM 124 C THR A 436 -7.663 -9.815 -1.255 1.00 0.95 C ATOM 125 O THR A 436 -8.168 -10.826 -1.742 1.00 0.95 O ATOM 126 CB THR A 436 -8.534 -8.005 -2.489 1.00 0.95 C ATOM 127 OG1 THR A 436 -9.424 -8.735 -3.351 1.00 0.95 O ATOM 128 CG2 THR A 436 -8.150 -6.751 -3.250 1.00 0.95 C ATOM 0 H THR A 436 -7.220 -9.609 -3.979 1.00 0.95 H new ATOM 0 HA THR A 436 -6.433 -8.123 -1.624 1.00 0.95 H new ATOM 0 HB THR A 436 -9.068 -7.863 -1.550 1.00 0.95 H new ATOM 0 HG1 THR A 436 -9.401 -9.686 -3.115 1.00 0.95 H new ATOM 0 HG21 THR A 436 -9.051 -6.206 -3.531 1.00 0.95 H new ATOM 0 HG22 THR A 436 -7.525 -6.119 -2.619 1.00 0.95 H new ATOM 0 HG23 THR A 436 -7.597 -7.026 -4.148 1.00 0.95 H new ATOM 136 N SER A 437 -7.700 -9.531 0.074 1.00 0.67 N ATOM 137 CA SER A 437 -8.475 -10.353 1.014 1.00 0.67 C ATOM 138 C SER A 437 -9.992 -10.071 1.038 1.00 0.67 C ATOM 139 O SER A 437 -10.717 -10.966 1.466 1.00 0.67 O ATOM 140 CB SER A 437 -7.928 -10.301 2.459 1.00 0.67 C ATOM 141 OG SER A 437 -8.422 -11.320 3.329 1.00 0.67 O ATOM 0 H SER A 437 -7.207 -8.749 0.504 1.00 0.67 H new ATOM 0 HA SER A 437 -8.343 -11.357 0.612 1.00 0.67 H new ATOM 0 HB2 SER A 437 -6.841 -10.371 2.423 1.00 0.67 H new ATOM 0 HB3 SER A 437 -8.170 -9.329 2.888 1.00 0.67 H new ATOM 0 HG SER A 437 -9.308 -11.608 3.025 1.00 0.67 H new ATOM 147 N GLY A 438 -10.544 -8.876 0.617 1.00 0.59 N ATOM 148 CA GLY A 438 -11.988 -8.671 0.610 1.00 0.59 C ATOM 149 C GLY A 438 -12.237 -7.464 1.427 1.00 0.59 C ATOM 150 O GLY A 438 -12.412 -6.357 0.917 1.00 0.59 O ATOM 0 H GLY A 438 -10.000 -8.077 0.291 1.00 0.59 H new ATOM 0 HA2 GLY A 438 -12.357 -8.536 -0.407 1.00 0.59 H new ATOM 0 HA3 GLY A 438 -12.506 -9.536 1.025 1.00 0.59 H new ATOM 154 N ARG A 439 -12.193 -7.614 2.777 1.00 0.60 N ATOM 155 CA ARG A 439 -12.273 -6.584 3.815 1.00 0.60 C ATOM 156 C ARG A 439 -11.109 -5.581 3.854 1.00 0.60 C ATOM 157 O ARG A 439 -10.977 -4.773 4.769 1.00 0.60 O ATOM 158 CB ARG A 439 -12.659 -7.194 5.182 1.00 0.60 C ATOM 159 CG ARG A 439 -11.726 -8.292 5.728 1.00 0.60 C ATOM 160 CD ARG A 439 -11.996 -9.708 5.186 1.00 0.60 C ATOM 161 NE ARG A 439 -11.093 -10.671 5.906 1.00 0.60 N ATOM 162 CZ ARG A 439 -11.040 -12.007 5.610 1.00 0.60 C ATOM 163 NH1 ARG A 439 -11.808 -12.534 4.613 1.00 0.60 N ATOM 164 NH2 ARG A 439 -10.202 -12.819 6.319 1.00 0.60 N ATOM 0 H ARG A 439 -12.092 -8.542 3.189 1.00 0.60 H new ATOM 0 HA ARG A 439 -13.096 -5.932 3.521 1.00 0.60 H new ATOM 0 HB2 ARG A 439 -12.705 -6.389 5.915 1.00 0.60 H new ATOM 0 HB3 ARG A 439 -13.664 -7.608 5.100 1.00 0.60 H new ATOM 0 HG2 ARG A 439 -10.696 -8.021 5.495 1.00 0.60 H new ATOM 0 HG3 ARG A 439 -11.812 -8.313 6.814 1.00 0.60 H new ATOM 0 HD2 ARG A 439 -13.040 -9.980 5.339 1.00 0.60 H new ATOM 0 HD3 ARG A 439 -11.811 -9.745 4.112 1.00 0.60 H new ATOM 0 HE ARG A 439 -10.493 -10.313 6.649 1.00 0.60 H new ATOM 0 HH11 ARG A 439 -12.432 -11.931 4.077 1.00 0.60 H new ATOM 0 HH12 ARG A 439 -11.758 -13.531 4.404 1.00 0.60 H new ATOM 0 HH21 ARG A 439 -9.622 -12.429 7.062 1.00 0.60 H new ATOM 0 HH22 ARG A 439 -10.156 -13.815 6.106 1.00 0.60 H new ATOM 178 N VAL A 440 -10.286 -5.611 2.769 1.00 0.36 N ATOM 179 CA VAL A 440 -9.308 -4.677 2.293 1.00 0.36 C ATOM 180 C VAL A 440 -9.305 -4.940 0.797 1.00 0.36 C ATOM 181 O VAL A 440 -9.274 -6.098 0.374 1.00 0.36 O ATOM 182 CB VAL A 440 -7.885 -4.739 2.834 1.00 0.36 C ATOM 183 CG1 VAL A 440 -7.203 -3.417 2.469 1.00 0.36 C ATOM 184 CG2 VAL A 440 -7.944 -4.801 4.364 1.00 0.36 C ATOM 0 H VAL A 440 -10.325 -6.416 2.144 1.00 0.36 H new ATOM 0 HA VAL A 440 -9.599 -3.684 2.635 1.00 0.36 H new ATOM 0 HB VAL A 440 -7.358 -5.603 2.429 1.00 0.36 H new ATOM 0 HG11 VAL A 440 -6.178 -3.422 2.840 1.00 0.36 H new ATOM 0 HG12 VAL A 440 -7.196 -3.298 1.386 1.00 0.36 H new ATOM 0 HG13 VAL A 440 -7.749 -2.589 2.921 1.00 0.36 H new ATOM 0 HG21 VAL A 440 -6.932 -4.846 4.766 1.00 0.36 H new ATOM 0 HG22 VAL A 440 -8.447 -3.912 4.745 1.00 0.36 H new ATOM 0 HG23 VAL A 440 -8.496 -5.689 4.671 1.00 0.36 H new ATOM 194 N ALA A 441 -9.222 -3.877 -0.018 1.00 0.28 N ATOM 195 CA ALA A 441 -8.936 -3.936 -1.435 1.00 0.28 C ATOM 196 C ALA A 441 -7.956 -2.842 -1.748 1.00 0.28 C ATOM 197 O ALA A 441 -8.085 -1.749 -1.198 1.00 0.28 O ATOM 198 CB ALA A 441 -10.197 -3.702 -2.316 1.00 0.28 C ATOM 0 H ALA A 441 -9.360 -2.924 0.317 1.00 0.28 H new ATOM 0 HA ALA A 441 -8.551 -4.931 -1.657 1.00 0.28 H new ATOM 0 HB1 ALA A 441 -9.921 -3.758 -3.369 1.00 0.28 H new ATOM 0 HB2 ALA A 441 -10.942 -4.466 -2.095 1.00 0.28 H new ATOM 0 HB3 ALA A 441 -10.613 -2.718 -2.102 1.00 0.28 H new ATOM 204 N VAL A 442 -6.993 -3.060 -2.702 1.00 0.46 N ATOM 205 CA VAL A 442 -6.103 -1.989 -3.189 1.00 0.46 C ATOM 206 C VAL A 442 -6.878 -1.356 -4.342 1.00 0.46 C ATOM 207 O VAL A 442 -6.908 -1.859 -5.465 1.00 0.46 O ATOM 208 CB VAL A 442 -4.660 -2.380 -3.520 1.00 0.46 C ATOM 209 CG1 VAL A 442 -3.741 -1.203 -3.164 1.00 0.46 C ATOM 210 CG2 VAL A 442 -4.140 -3.508 -2.624 1.00 0.46 C ATOM 0 H VAL A 442 -6.826 -3.968 -3.137 1.00 0.46 H new ATOM 0 HA VAL A 442 -5.892 -1.281 -2.388 1.00 0.46 H new ATOM 0 HB VAL A 442 -4.656 -2.670 -4.571 1.00 0.46 H new ATOM 0 HG11 VAL A 442 -2.708 -1.465 -3.394 1.00 0.46 H new ATOM 0 HG12 VAL A 442 -4.031 -0.327 -3.744 1.00 0.46 H new ATOM 0 HG13 VAL A 442 -3.831 -0.980 -2.101 1.00 0.46 H new ATOM 0 HG21 VAL A 442 -3.113 -3.747 -2.900 1.00 0.46 H new ATOM 0 HG22 VAL A 442 -4.171 -3.189 -1.582 1.00 0.46 H new ATOM 0 HG23 VAL A 442 -4.765 -4.392 -2.752 1.00 0.46 H new ATOM 220 N GLU A 443 -7.637 -0.288 -3.955 1.00 0.54 N ATOM 221 CA GLU A 443 -8.721 0.363 -4.670 1.00 0.54 C ATOM 222 C GLU A 443 -8.254 1.131 -5.897 1.00 0.54 C ATOM 223 O GLU A 443 -8.574 0.808 -7.041 1.00 0.54 O ATOM 224 CB GLU A 443 -9.449 1.341 -3.693 1.00 0.54 C ATOM 225 CG GLU A 443 -10.758 1.948 -4.253 1.00 0.54 C ATOM 226 CD GLU A 443 -11.234 3.164 -3.452 1.00 0.54 C ATOM 227 OE1 GLU A 443 -10.553 3.565 -2.473 1.00 0.54 O ATOM 228 OE2 GLU A 443 -12.303 3.718 -3.831 1.00 0.54 O ATOM 0 H GLU A 443 -7.472 0.160 -3.054 1.00 0.54 H new ATOM 0 HA GLU A 443 -9.393 -0.418 -5.026 1.00 0.54 H new ATOM 0 HB2 GLU A 443 -9.676 0.810 -2.769 1.00 0.54 H new ATOM 0 HB3 GLU A 443 -8.768 2.152 -3.436 1.00 0.54 H new ATOM 0 HG2 GLU A 443 -10.603 2.240 -5.292 1.00 0.54 H new ATOM 0 HG3 GLU A 443 -11.538 1.187 -4.249 1.00 0.54 H new ATOM 235 N GLU A 444 -7.435 2.179 -5.630 1.00 0.53 N ATOM 236 CA GLU A 444 -6.789 2.988 -6.641 1.00 0.53 C ATOM 237 C GLU A 444 -5.329 3.021 -6.374 1.00 0.53 C ATOM 238 O GLU A 444 -4.817 3.748 -5.542 1.00 0.53 O ATOM 239 CB GLU A 444 -7.380 4.410 -6.845 1.00 0.53 C ATOM 240 CG GLU A 444 -8.834 4.412 -7.351 1.00 0.53 C ATOM 241 CD GLU A 444 -8.910 3.893 -8.788 1.00 0.53 C ATOM 242 OE1 GLU A 444 -8.261 4.507 -9.677 1.00 0.53 O ATOM 243 OE2 GLU A 444 -9.624 2.880 -9.018 1.00 0.53 O ATOM 0 H GLU A 444 -7.214 2.474 -4.679 1.00 0.53 H new ATOM 0 HA GLU A 444 -6.989 2.504 -7.597 1.00 0.53 H new ATOM 0 HB2 GLU A 444 -7.333 4.952 -5.900 1.00 0.53 H new ATOM 0 HB3 GLU A 444 -6.757 4.954 -7.555 1.00 0.53 H new ATOM 0 HG2 GLU A 444 -9.450 3.790 -6.702 1.00 0.53 H new ATOM 0 HG3 GLU A 444 -9.239 5.423 -7.303 1.00 0.53 H new ATOM 250 N VAL A 445 -4.582 2.236 -7.176 1.00 0.50 N ATOM 251 CA VAL A 445 -3.137 2.170 -7.124 1.00 0.50 C ATOM 252 C VAL A 445 -2.673 3.111 -8.211 1.00 0.50 C ATOM 253 O VAL A 445 -2.964 2.963 -9.399 1.00 0.50 O ATOM 254 CB VAL A 445 -2.625 0.743 -7.234 1.00 0.50 C ATOM 255 CG1 VAL A 445 -3.010 0.083 -5.903 1.00 0.50 C ATOM 256 CG2 VAL A 445 -3.232 -0.039 -8.425 1.00 0.50 C ATOM 0 H VAL A 445 -4.989 1.626 -7.885 1.00 0.50 H new ATOM 0 HA VAL A 445 -2.726 2.483 -6.164 1.00 0.50 H new ATOM 0 HB VAL A 445 -1.551 0.739 -7.421 1.00 0.50 H new ATOM 0 HG11 VAL A 445 -2.675 -0.954 -5.901 1.00 0.50 H new ATOM 0 HG12 VAL A 445 -2.536 0.619 -5.081 1.00 0.50 H new ATOM 0 HG13 VAL A 445 -4.093 0.115 -5.781 1.00 0.50 H new ATOM 0 HG21 VAL A 445 -2.823 -1.049 -8.443 1.00 0.50 H new ATOM 0 HG22 VAL A 445 -4.315 -0.088 -8.314 1.00 0.50 H new ATOM 0 HG23 VAL A 445 -2.986 0.469 -9.357 1.00 0.50 H new ATOM 266 N ASP A 446 -1.972 4.178 -7.775 1.00 0.41 N ATOM 267 CA ASP A 446 -1.623 5.325 -8.564 1.00 0.41 C ATOM 268 C ASP A 446 -0.129 5.331 -8.778 1.00 0.41 C ATOM 269 O ASP A 446 0.650 5.658 -7.880 1.00 0.41 O ATOM 270 CB ASP A 446 -2.149 6.568 -7.786 1.00 0.41 C ATOM 271 CG ASP A 446 -3.611 6.834 -8.165 1.00 0.41 C ATOM 272 OD1 ASP A 446 -3.861 7.189 -9.347 1.00 0.41 O ATOM 273 OD2 ASP A 446 -4.491 6.688 -7.275 1.00 0.41 O ATOM 0 H ASP A 446 -1.629 4.243 -6.817 1.00 0.41 H new ATOM 0 HA ASP A 446 -2.071 5.322 -9.558 1.00 0.41 H new ATOM 0 HB2 ASP A 446 -2.067 6.399 -6.712 1.00 0.41 H new ATOM 0 HB3 ASP A 446 -1.538 7.440 -8.019 1.00 0.41 H new ATOM 337 N PHE A 451 0.413 7.262 -5.185 1.00 0.31 N ATOM 338 CA PHE A 451 -0.184 6.787 -3.939 1.00 0.31 C ATOM 339 C PHE A 451 -0.715 5.406 -4.074 1.00 0.31 C ATOM 340 O PHE A 451 -0.963 4.884 -5.158 1.00 0.31 O ATOM 341 CB PHE A 451 -1.315 7.677 -3.267 1.00 0.31 C ATOM 342 CG PHE A 451 -1.479 9.002 -3.936 1.00 0.31 C ATOM 343 CD1 PHE A 451 -0.739 10.115 -3.512 1.00 0.31 C ATOM 344 CD2 PHE A 451 -2.252 9.080 -5.103 1.00 0.31 C ATOM 345 CE1 PHE A 451 -0.677 11.261 -4.311 1.00 0.31 C ATOM 346 CE2 PHE A 451 -2.192 10.227 -5.906 1.00 0.31 C ATOM 347 CZ PHE A 451 -1.388 11.310 -5.513 1.00 0.31 C ATOM 0 HA PHE A 451 0.671 6.844 -3.265 1.00 0.31 H new ATOM 0 HB2 PHE A 451 -2.262 7.139 -3.299 1.00 0.31 H new ATOM 0 HB3 PHE A 451 -1.072 7.833 -2.216 1.00 0.31 H new ATOM 0 HD1 PHE A 451 -0.216 10.087 -2.567 1.00 0.31 H new ATOM 0 HD2 PHE A 451 -2.893 8.257 -5.383 1.00 0.31 H new ATOM 0 HE1 PHE A 451 -0.081 12.106 -4.000 1.00 0.31 H new ATOM 0 HE2 PHE A 451 -2.761 10.278 -6.822 1.00 0.31 H new ATOM 0 HZ PHE A 451 -1.319 12.185 -6.143 1.00 0.31 H new ATOM 357 N VAL A 452 -0.984 4.810 -2.887 1.00 0.26 N ATOM 358 CA VAL A 452 -1.710 3.578 -2.751 1.00 0.26 C ATOM 359 C VAL A 452 -2.980 4.032 -2.078 1.00 0.26 C ATOM 360 O VAL A 452 -2.986 4.320 -0.876 1.00 0.26 O ATOM 361 CB VAL A 452 -0.928 2.630 -1.842 1.00 0.26 C ATOM 362 CG1 VAL A 452 -1.735 1.474 -1.231 1.00 0.26 C ATOM 363 CG2 VAL A 452 0.159 1.976 -2.688 1.00 0.26 C ATOM 0 H VAL A 452 -0.685 5.201 -1.994 1.00 0.26 H new ATOM 0 HA VAL A 452 -1.882 3.046 -3.686 1.00 0.26 H new ATOM 0 HB VAL A 452 -0.572 3.246 -1.016 1.00 0.26 H new ATOM 0 HG11 VAL A 452 -1.082 0.866 -0.605 1.00 0.26 H new ATOM 0 HG12 VAL A 452 -2.546 1.877 -0.625 1.00 0.26 H new ATOM 0 HG13 VAL A 452 -2.150 0.858 -2.029 1.00 0.26 H new ATOM 0 HG21 VAL A 452 0.739 1.291 -2.069 1.00 0.26 H new ATOM 0 HG22 VAL A 452 -0.301 1.424 -3.508 1.00 0.26 H new ATOM 0 HG23 VAL A 452 0.817 2.745 -3.092 1.00 0.26 H new ATOM 373 N ARG A 453 -4.124 4.054 -2.827 1.00 0.58 N ATOM 374 CA ARG A 453 -5.425 4.307 -2.191 1.00 0.58 C ATOM 375 C ARG A 453 -6.040 2.971 -1.742 1.00 0.58 C ATOM 376 O ARG A 453 -6.408 2.126 -2.568 1.00 0.58 O ATOM 377 CB ARG A 453 -6.383 5.058 -3.144 1.00 0.58 C ATOM 378 CG ARG A 453 -7.664 5.616 -2.500 1.00 0.58 C ATOM 379 CD ARG A 453 -8.589 6.227 -3.566 1.00 0.58 C ATOM 380 NE ARG A 453 -9.826 6.762 -2.904 1.00 0.58 N ATOM 381 CZ ARG A 453 -10.962 7.097 -3.592 1.00 0.58 C ATOM 382 NH1 ARG A 453 -11.022 6.967 -4.949 1.00 0.58 N ATOM 383 NH2 ARG A 453 -12.050 7.556 -2.907 1.00 0.58 N ATOM 0 H ARG A 453 -4.159 3.904 -3.835 1.00 0.58 H new ATOM 0 HA ARG A 453 -5.270 4.945 -1.321 1.00 0.58 H new ATOM 0 HB2 ARG A 453 -5.838 5.885 -3.600 1.00 0.58 H new ATOM 0 HB3 ARG A 453 -6.668 4.382 -3.950 1.00 0.58 H new ATOM 0 HG2 ARG A 453 -8.187 4.819 -1.971 1.00 0.58 H new ATOM 0 HG3 ARG A 453 -7.404 6.373 -1.760 1.00 0.58 H new ATOM 0 HD2 ARG A 453 -8.072 7.027 -4.097 1.00 0.58 H new ATOM 0 HD3 ARG A 453 -8.856 5.473 -4.307 1.00 0.58 H new ATOM 0 HE ARG A 453 -9.820 6.882 -1.891 1.00 0.58 H new ATOM 0 HH11 ARG A 453 -10.214 6.616 -5.464 1.00 0.58 H new ATOM 0 HH12 ARG A 453 -11.875 7.220 -5.448 1.00 0.58 H new ATOM 0 HH21 ARG A 453 -12.012 7.647 -1.892 1.00 0.58 H new ATOM 0 HH22 ARG A 453 -12.901 7.808 -3.410 1.00 0.58 H new ATOM 397 N LEU A 454 -6.151 2.726 -0.398 1.00 0.66 N ATOM 398 CA LEU A 454 -6.674 1.511 0.177 1.00 0.66 C ATOM 399 C LEU A 454 -8.133 1.781 0.543 1.00 0.66 C ATOM 400 O LEU A 454 -8.580 2.911 0.705 1.00 0.66 O ATOM 401 CB LEU A 454 -5.728 1.126 1.396 1.00 0.66 C ATOM 402 CG LEU A 454 -5.063 -0.284 1.478 1.00 0.66 C ATOM 403 CD1 LEU A 454 -5.393 -1.106 0.253 1.00 0.66 C ATOM 404 CD2 LEU A 454 -3.523 -0.283 1.621 1.00 0.66 C ATOM 0 H LEU A 454 -5.863 3.406 0.306 1.00 0.66 H new ATOM 0 HA LEU A 454 -6.677 0.652 -0.494 1.00 0.66 H new ATOM 0 HB2 LEU A 454 -4.924 1.861 1.422 1.00 0.66 H new ATOM 0 HB3 LEU A 454 -6.311 1.259 2.308 1.00 0.66 H new ATOM 0 HG LEU A 454 -5.479 -0.711 2.391 1.00 0.66 H new ATOM 0 HD11 LEU A 454 -4.919 -2.084 0.333 1.00 0.66 H new ATOM 0 HD12 LEU A 454 -6.473 -1.231 0.179 1.00 0.66 H new ATOM 0 HD13 LEU A 454 -5.025 -0.596 -0.637 1.00 0.66 H new ATOM 0 HD21 LEU A 454 -3.161 -1.310 1.669 1.00 0.66 H new ATOM 0 HD22 LEU A 454 -3.078 0.218 0.761 1.00 0.66 H new ATOM 0 HD23 LEU A 454 -3.243 0.244 2.533 1.00 0.66 H new ATOM 416 N ARG A 455 -8.939 0.724 0.659 1.00 0.51 N ATOM 417 CA ARG A 455 -10.332 0.752 1.015 1.00 0.51 C ATOM 418 C ARG A 455 -10.536 -0.600 1.623 1.00 0.51 C ATOM 419 O ARG A 455 -9.693 -1.478 1.457 1.00 0.51 O ATOM 420 CB ARG A 455 -11.224 0.960 -0.240 1.00 0.51 C ATOM 421 CG ARG A 455 -12.733 1.151 0.004 1.00 0.51 C ATOM 422 CD ARG A 455 -13.547 1.464 -1.256 1.00 0.51 C ATOM 423 NE ARG A 455 -13.485 0.273 -2.173 1.00 0.51 N ATOM 424 CZ ARG A 455 -14.200 0.184 -3.338 1.00 0.51 C ATOM 425 NH1 ARG A 455 -15.015 1.203 -3.739 1.00 0.51 N ATOM 426 NH2 ARG A 455 -14.086 -0.934 -4.112 1.00 0.51 N ATOM 0 H ARG A 455 -8.602 -0.225 0.494 1.00 0.51 H new ATOM 0 HA ARG A 455 -10.599 1.568 1.686 1.00 0.51 H new ATOM 0 HB2 ARG A 455 -10.854 1.832 -0.779 1.00 0.51 H new ATOM 0 HB3 ARG A 455 -11.092 0.100 -0.897 1.00 0.51 H new ATOM 0 HG2 ARG A 455 -13.131 0.246 0.463 1.00 0.51 H new ATOM 0 HG3 ARG A 455 -12.872 1.960 0.721 1.00 0.51 H new ATOM 0 HD2 ARG A 455 -14.581 1.686 -0.993 1.00 0.51 H new ATOM 0 HD3 ARG A 455 -13.148 2.347 -1.755 1.00 0.51 H new ATOM 0 HE ARG A 455 -12.881 -0.507 -1.914 1.00 0.51 H new ATOM 0 HH11 ARG A 455 -15.097 2.045 -3.169 1.00 0.51 H new ATOM 0 HH12 ARG A 455 -15.541 1.123 -4.609 1.00 0.51 H new ATOM 0 HH21 ARG A 455 -13.472 -1.695 -3.821 1.00 0.51 H new ATOM 0 HH22 ARG A 455 -14.615 -1.009 -4.981 1.00 0.51 H new ATOM 440 N ASN A 456 -11.656 -0.786 2.320 1.00 0.49 N ATOM 441 CA ASN A 456 -12.133 -2.012 2.903 1.00 0.49 C ATOM 442 C ASN A 456 -13.345 -2.339 2.020 1.00 0.49 C ATOM 443 O ASN A 456 -14.266 -1.532 1.972 1.00 0.49 O ATOM 444 CB ASN A 456 -12.374 -1.619 4.378 1.00 0.49 C ATOM 445 CG ASN A 456 -13.051 -2.619 5.296 1.00 0.49 C ATOM 446 OD1 ASN A 456 -14.209 -2.943 5.068 1.00 0.49 O ATOM 447 ND2 ASN A 456 -12.360 -3.076 6.365 1.00 0.49 N ATOM 0 H ASN A 456 -12.296 -0.012 2.499 1.00 0.49 H new ATOM 0 HA ASN A 456 -11.516 -2.910 2.929 1.00 0.49 H new ATOM 0 HB2 ASN A 456 -11.408 -1.370 4.816 1.00 0.49 H new ATOM 0 HB3 ASN A 456 -12.971 -0.707 4.384 1.00 0.49 H new ATOM 0 HD21 ASN A 456 -12.803 -3.719 7.022 1.00 0.49 H new ATOM 0 HD22 ASN A 456 -11.396 -2.778 6.514 1.00 0.49 H new ATOM 454 N LYS A 457 -13.359 -3.452 1.221 1.00 0.45 N ATOM 455 CA LYS A 457 -14.451 -3.713 0.271 1.00 0.45 C ATOM 456 C LYS A 457 -15.439 -4.738 0.788 1.00 0.45 C ATOM 457 O LYS A 457 -16.647 -4.564 0.636 1.00 0.45 O ATOM 458 CB LYS A 457 -13.867 -4.035 -1.132 1.00 0.45 C ATOM 459 CG LYS A 457 -14.833 -4.009 -2.333 1.00 0.45 C ATOM 460 CD LYS A 457 -15.598 -5.324 -2.564 1.00 0.45 C ATOM 461 CE LYS A 457 -16.220 -5.433 -3.962 1.00 0.45 C ATOM 462 NZ LYS A 457 -17.230 -4.372 -4.185 1.00 0.45 N ATOM 0 H LYS A 457 -12.629 -4.164 1.227 1.00 0.45 H new ATOM 0 HA LYS A 457 -15.048 -2.808 0.163 1.00 0.45 H new ATOM 0 HB2 LYS A 457 -13.064 -3.326 -1.332 1.00 0.45 H new ATOM 0 HB3 LYS A 457 -13.414 -5.025 -1.087 1.00 0.45 H new ATOM 0 HG2 LYS A 457 -15.554 -3.205 -2.186 1.00 0.45 H new ATOM 0 HG3 LYS A 457 -14.267 -3.769 -3.233 1.00 0.45 H new ATOM 0 HD2 LYS A 457 -14.918 -6.162 -2.411 1.00 0.45 H new ATOM 0 HD3 LYS A 457 -16.386 -5.413 -1.816 1.00 0.45 H new ATOM 0 HE2 LYS A 457 -15.438 -5.358 -4.717 1.00 0.45 H new ATOM 0 HE3 LYS A 457 -16.685 -6.412 -4.080 1.00 0.45 H new ATOM 0 HZ1 LYS A 457 -17.633 -4.471 -5.139 1.00 0.45 H new ATOM 0 HZ2 LYS A 457 -17.988 -4.460 -3.478 1.00 0.45 H new ATOM 0 HZ3 LYS A 457 -16.779 -3.439 -4.095 1.00 0.45 H new ATOM 476 N SER A 458 -14.963 -5.796 1.510 1.00 0.34 N ATOM 477 CA SER A 458 -15.872 -6.675 2.295 1.00 0.34 C ATOM 478 C SER A 458 -16.019 -6.055 3.704 1.00 0.34 C ATOM 479 O SER A 458 -15.212 -5.254 4.145 1.00 0.34 O ATOM 480 CB SER A 458 -15.427 -8.156 2.393 1.00 0.34 C ATOM 481 OG SER A 458 -15.164 -8.671 1.089 1.00 0.34 O ATOM 0 H SER A 458 -13.977 -6.054 1.562 1.00 0.34 H new ATOM 0 HA SER A 458 -16.824 -6.717 1.765 1.00 0.34 H new ATOM 0 HB2 SER A 458 -14.534 -8.236 3.012 1.00 0.34 H new ATOM 0 HB3 SER A 458 -16.204 -8.747 2.877 1.00 0.34 H new ATOM 0 HG SER A 458 -14.882 -9.607 1.158 1.00 0.34 H new ATOM 487 N ASN A 459 -17.099 -6.334 4.447 1.00 0.49 N ATOM 488 CA ASN A 459 -17.562 -5.595 5.598 1.00 0.49 C ATOM 489 C ASN A 459 -17.124 -6.022 6.988 1.00 0.49 C ATOM 490 O ASN A 459 -17.925 -6.115 7.918 1.00 0.49 O ATOM 491 CB ASN A 459 -19.089 -5.463 5.470 1.00 0.49 C ATOM 492 CG ASN A 459 -19.804 -6.800 5.375 1.00 0.49 C ATOM 493 OD1 ASN A 459 -19.953 -7.394 4.307 1.00 0.49 O ATOM 494 ND2 ASN A 459 -20.210 -7.283 6.572 1.00 0.49 N ATOM 0 H ASN A 459 -17.699 -7.132 4.236 1.00 0.49 H new ATOM 0 HA ASN A 459 -17.043 -4.638 5.551 1.00 0.49 H new ATOM 0 HB2 ASN A 459 -19.472 -4.915 6.331 1.00 0.49 H new ATOM 0 HB3 ASN A 459 -19.322 -4.871 4.585 1.00 0.49 H new ATOM 0 HD21 ASN A 459 -20.671 -8.192 6.626 1.00 0.49 H new ATOM 0 HD22 ASN A 459 -20.055 -6.739 7.421 1.00 0.49 H new ATOM 501 N GLU A 460 -15.815 -6.213 7.166 1.00 0.74 N ATOM 502 CA GLU A 460 -15.224 -6.469 8.465 1.00 0.74 C ATOM 503 C GLU A 460 -14.241 -5.357 8.776 1.00 0.74 C ATOM 504 O GLU A 460 -13.283 -5.129 8.040 1.00 0.74 O ATOM 505 CB GLU A 460 -14.559 -7.860 8.576 1.00 0.74 C ATOM 506 CG GLU A 460 -15.544 -9.023 8.347 1.00 0.74 C ATOM 507 CD GLU A 460 -14.845 -10.357 8.608 1.00 0.74 C ATOM 508 OE1 GLU A 460 -13.866 -10.668 7.882 1.00 0.74 O ATOM 509 OE2 GLU A 460 -15.285 -11.085 9.540 1.00 0.74 O ATOM 0 H GLU A 460 -15.138 -6.193 6.403 1.00 0.74 H new ATOM 0 HA GLU A 460 -16.025 -6.481 9.204 1.00 0.74 H new ATOM 0 HB2 GLU A 460 -13.751 -7.928 7.848 1.00 0.74 H new ATOM 0 HB3 GLU A 460 -14.109 -7.963 9.563 1.00 0.74 H new ATOM 0 HG2 GLU A 460 -16.404 -8.918 9.008 1.00 0.74 H new ATOM 0 HG3 GLU A 460 -15.922 -8.995 7.325 1.00 0.74 H new ATOM 516 N ASP A 461 -14.464 -4.645 9.915 1.00 0.65 N ATOM 517 CA ASP A 461 -13.646 -3.586 10.518 1.00 0.65 C ATOM 518 C ASP A 461 -12.308 -4.131 11.035 1.00 0.65 C ATOM 519 O ASP A 461 -12.240 -4.789 12.068 1.00 0.65 O ATOM 520 CB ASP A 461 -14.338 -2.838 11.709 1.00 0.65 C ATOM 521 CG ASP A 461 -15.769 -2.389 11.380 1.00 0.65 C ATOM 522 OD1 ASP A 461 -16.668 -3.267 11.288 1.00 0.65 O ATOM 523 OD2 ASP A 461 -15.988 -1.155 11.254 1.00 0.65 O ATOM 0 H ASP A 461 -15.298 -4.823 10.475 1.00 0.65 H new ATOM 0 HA ASP A 461 -13.496 -2.876 9.705 1.00 0.65 H new ATOM 0 HB2 ASP A 461 -14.359 -3.493 12.580 1.00 0.65 H new ATOM 0 HB3 ASP A 461 -13.742 -1.966 11.980 1.00 0.65 H new ATOM 528 N GLN A 462 -11.212 -3.883 10.280 1.00 0.44 N ATOM 529 CA GLN A 462 -9.856 -4.408 10.598 1.00 0.44 C ATOM 530 C GLN A 462 -8.925 -3.429 11.283 1.00 0.44 C ATOM 531 O GLN A 462 -8.848 -2.282 10.868 1.00 0.44 O ATOM 532 CB GLN A 462 -9.274 -5.544 9.676 1.00 0.44 C ATOM 533 CG GLN A 462 -8.575 -5.279 8.318 1.00 0.44 C ATOM 534 CD GLN A 462 -7.218 -4.573 8.458 1.00 0.44 C ATOM 535 OE1 GLN A 462 -6.125 -5.145 8.464 1.00 0.44 O ATOM 536 NE2 GLN A 462 -7.388 -3.230 8.565 1.00 0.44 N ATOM 0 H GLN A 462 -11.239 -3.314 9.434 1.00 0.44 H new ATOM 0 HA GLN A 462 -10.033 -5.080 11.438 1.00 0.44 H new ATOM 0 HB2 GLN A 462 -8.558 -6.095 10.286 1.00 0.44 H new ATOM 0 HB3 GLN A 462 -10.102 -6.221 9.466 1.00 0.44 H new ATOM 0 HG2 GLN A 462 -8.431 -6.228 7.801 1.00 0.44 H new ATOM 0 HG3 GLN A 462 -9.230 -4.671 7.693 1.00 0.44 H new ATOM 0 HE21 GLN A 462 -8.327 -2.832 8.552 1.00 0.44 H new ATOM 0 HE22 GLN A 462 -6.577 -2.619 8.659 1.00 0.44 H new ATOM 545 N SER A 463 -8.173 -3.808 12.360 1.00 0.49 N ATOM 546 CA SER A 463 -7.299 -2.883 13.089 1.00 0.49 C ATOM 547 C SER A 463 -6.028 -2.496 12.362 1.00 0.49 C ATOM 548 O SER A 463 -5.029 -3.200 12.450 1.00 0.49 O ATOM 549 CB SER A 463 -6.890 -3.297 14.532 1.00 0.49 C ATOM 550 OG SER A 463 -8.025 -3.549 15.353 1.00 0.49 O ATOM 0 H SER A 463 -8.167 -4.758 12.731 1.00 0.49 H new ATOM 0 HA SER A 463 -7.973 -2.029 13.155 1.00 0.49 H new ATOM 0 HB2 SER A 463 -6.266 -4.190 14.491 1.00 0.49 H new ATOM 0 HB3 SER A 463 -6.286 -2.507 14.979 1.00 0.49 H new ATOM 0 HG SER A 463 -8.622 -2.772 15.334 1.00 0.49 H new ATOM 556 N MET A 464 -5.974 -1.317 11.663 1.00 0.50 N ATOM 557 CA MET A 464 -4.726 -0.843 11.024 1.00 0.50 C ATOM 558 C MET A 464 -3.693 -0.209 11.957 1.00 0.50 C ATOM 559 O MET A 464 -2.765 0.475 11.540 1.00 0.50 O ATOM 560 CB MET A 464 -4.837 0.008 9.743 1.00 0.50 C ATOM 561 CG MET A 464 -6.176 -0.037 9.039 1.00 0.50 C ATOM 562 SD MET A 464 -6.317 1.003 7.565 1.00 0.50 S ATOM 563 CE MET A 464 -4.903 2.131 7.584 1.00 0.50 C ATOM 0 H MET A 464 -6.773 -0.695 11.536 1.00 0.50 H new ATOM 0 HA MET A 464 -4.363 -1.820 10.705 1.00 0.50 H new ATOM 0 HB2 MET A 464 -4.616 1.045 9.997 1.00 0.50 H new ATOM 0 HB3 MET A 464 -4.068 -0.320 9.043 1.00 0.50 H new ATOM 0 HG2 MET A 464 -6.383 -1.069 8.755 1.00 0.50 H new ATOM 0 HG3 MET A 464 -6.949 0.260 9.747 1.00 0.50 H new ATOM 0 HE1 MET A 464 -4.885 2.708 6.659 1.00 0.50 H new ATOM 0 HE2 MET A 464 -4.990 2.809 8.433 1.00 0.50 H new ATOM 0 HE3 MET A 464 -3.981 1.557 7.671 1.00 0.50 H new ATOM 573 N GLY A 465 -3.806 -0.548 13.258 1.00 0.39 N ATOM 574 CA GLY A 465 -2.821 -0.360 14.290 1.00 0.39 C ATOM 575 C GLY A 465 -1.737 -1.402 14.240 1.00 0.39 C ATOM 576 O GLY A 465 -0.570 -1.080 14.419 1.00 0.39 O ATOM 0 H GLY A 465 -4.653 -0.988 13.617 1.00 0.39 H new ATOM 0 HA2 GLY A 465 -2.376 0.630 14.188 1.00 0.39 H new ATOM 0 HA3 GLY A 465 -3.308 -0.392 15.265 1.00 0.39 H new ATOM 580 N ASN A 466 -2.061 -2.693 13.943 1.00 0.33 N ATOM 581 CA ASN A 466 -1.042 -3.747 13.795 1.00 0.33 C ATOM 582 C ASN A 466 -0.480 -3.866 12.374 1.00 0.33 C ATOM 583 O ASN A 466 0.156 -4.866 12.055 1.00 0.33 O ATOM 584 CB ASN A 466 -1.401 -5.137 14.424 1.00 0.33 C ATOM 585 CG ASN A 466 -0.164 -5.807 15.074 1.00 0.33 C ATOM 586 OD1 ASN A 466 0.502 -6.712 14.573 1.00 0.33 O ATOM 587 ND2 ASN A 466 0.158 -5.287 16.287 1.00 0.33 N ATOM 0 H ASN A 466 -3.018 -3.017 13.804 1.00 0.33 H new ATOM 0 HA ASN A 466 -0.228 -3.381 14.420 1.00 0.33 H new ATOM 0 HB2 ASN A 466 -2.181 -5.007 15.174 1.00 0.33 H new ATOM 0 HB3 ASN A 466 -1.807 -5.792 13.653 1.00 0.33 H new ATOM 0 HD21 ASN A 466 0.964 -5.647 16.798 1.00 0.33 H new ATOM 0 HD22 ASN A 466 -0.406 -4.537 16.686 1.00 0.33 H new ATOM 594 N TRP A 467 -0.685 -2.849 11.471 1.00 0.32 N ATOM 595 CA TRP A 467 -0.163 -2.877 10.100 1.00 0.32 C ATOM 596 C TRP A 467 1.328 -2.692 9.951 1.00 0.32 C ATOM 597 O TRP A 467 2.039 -2.076 10.750 1.00 0.32 O ATOM 598 CB TRP A 467 -0.817 -1.777 9.216 1.00 0.32 C ATOM 599 CG TRP A 467 -2.135 -2.185 8.688 1.00 0.32 C ATOM 600 CD1 TRP A 467 -2.928 -3.175 9.168 1.00 0.32 C ATOM 601 CD2 TRP A 467 -2.816 -1.605 7.565 1.00 0.32 C ATOM 602 NE1 TRP A 467 -4.091 -3.208 8.482 1.00 0.32 N ATOM 603 CE2 TRP A 467 -4.037 -2.293 7.464 1.00 0.32 C ATOM 604 CE3 TRP A 467 -2.486 -0.570 6.678 1.00 0.32 C ATOM 605 CZ2 TRP A 467 -4.910 -2.030 6.437 1.00 0.32 C ATOM 606 CZ3 TRP A 467 -3.385 -0.267 5.645 1.00 0.32 C ATOM 607 CH2 TRP A 467 -4.540 -1.046 5.519 1.00 0.32 C ATOM 0 H TRP A 467 -1.214 -2.005 11.691 1.00 0.32 H new ATOM 0 HA TRP A 467 -0.415 -3.889 9.781 1.00 0.32 H new ATOM 0 HB2 TRP A 467 -0.930 -0.865 9.802 1.00 0.32 H new ATOM 0 HB3 TRP A 467 -0.153 -1.541 8.384 1.00 0.32 H new ATOM 0 HD1 TRP A 467 -2.668 -3.839 9.979 1.00 0.32 H new ATOM 0 HE1 TRP A 467 -4.883 -3.817 8.689 1.00 0.32 H new ATOM 0 HE3 TRP A 467 -1.563 -0.020 6.788 1.00 0.32 H new ATOM 0 HZ2 TRP A 467 -5.845 -2.563 6.344 1.00 0.32 H new ATOM 0 HZ3 TRP A 467 -3.190 0.548 4.963 1.00 0.32 H new ATOM 0 HH2 TRP A 467 -5.180 -0.877 4.665 1.00 0.32 H new ATOM 618 N GLN A 468 1.772 -3.213 8.796 1.00 0.53 N ATOM 619 CA GLN A 468 3.114 -3.036 8.276 1.00 0.53 C ATOM 620 C GLN A 468 2.930 -3.205 6.781 1.00 0.53 C ATOM 621 O GLN A 468 2.439 -4.231 6.317 1.00 0.53 O ATOM 622 CB GLN A 468 4.291 -3.950 8.802 1.00 0.53 C ATOM 623 CG GLN A 468 4.384 -4.196 10.331 1.00 0.53 C ATOM 624 CD GLN A 468 5.680 -4.923 10.719 1.00 0.53 C ATOM 625 OE1 GLN A 468 6.774 -4.513 10.321 1.00 0.53 O ATOM 626 NE2 GLN A 468 5.572 -6.031 11.492 1.00 0.53 N ATOM 0 H GLN A 468 1.182 -3.783 8.190 1.00 0.53 H new ATOM 0 HA GLN A 468 3.474 -2.069 8.627 1.00 0.53 H new ATOM 0 HB2 GLN A 468 4.208 -4.919 8.311 1.00 0.53 H new ATOM 0 HB3 GLN A 468 5.232 -3.507 8.476 1.00 0.53 H new ATOM 0 HG2 GLN A 468 4.333 -3.242 10.855 1.00 0.53 H new ATOM 0 HG3 GLN A 468 3.527 -4.785 10.656 1.00 0.53 H new ATOM 0 HE21 GLN A 468 4.654 -6.346 11.806 1.00 0.53 H new ATOM 0 HE22 GLN A 468 6.409 -6.550 11.760 1.00 0.53 H new ATOM 635 N ILE A 469 3.343 -2.203 5.968 1.00 0.85 N ATOM 636 CA ILE A 469 3.364 -2.204 4.510 1.00 0.85 C ATOM 637 C ILE A 469 4.759 -2.713 4.171 1.00 0.85 C ATOM 638 O ILE A 469 5.704 -2.222 4.768 1.00 0.85 O ATOM 639 CB ILE A 469 3.128 -0.785 3.946 1.00 0.85 C ATOM 640 CG1 ILE A 469 1.800 -0.751 3.169 1.00 0.85 C ATOM 641 CG2 ILE A 469 4.250 -0.190 3.056 1.00 0.85 C ATOM 642 CD1 ILE A 469 0.716 0.047 3.887 1.00 0.85 C ATOM 0 H ILE A 469 3.690 -1.323 6.351 1.00 0.85 H new ATOM 0 HA ILE A 469 2.576 -2.820 4.076 1.00 0.85 H new ATOM 0 HB ILE A 469 3.111 -0.149 4.831 1.00 0.85 H new ATOM 0 HG12 ILE A 469 1.972 -0.317 2.184 1.00 0.85 H new ATOM 0 HG13 ILE A 469 1.450 -1.771 3.012 1.00 0.85 H new ATOM 0 HG21 ILE A 469 3.961 0.808 2.725 1.00 0.85 H new ATOM 0 HG22 ILE A 469 5.175 -0.129 3.629 1.00 0.85 H new ATOM 0 HG23 ILE A 469 4.403 -0.830 2.187 1.00 0.85 H new ATOM 0 HD11 ILE A 469 -0.198 0.036 3.293 1.00 0.85 H new ATOM 0 HD12 ILE A 469 0.520 -0.400 4.862 1.00 0.85 H new ATOM 0 HD13 ILE A 469 1.050 1.076 4.021 1.00 0.85 H new ATOM 654 N LYS A 470 4.959 -3.667 3.236 1.00 1.07 N ATOM 655 CA LYS A 470 6.282 -4.147 2.850 1.00 1.07 C ATOM 656 C LYS A 470 6.397 -3.706 1.406 1.00 1.07 C ATOM 657 O LYS A 470 5.458 -3.887 0.622 1.00 1.07 O ATOM 658 CB LYS A 470 6.457 -5.695 2.932 1.00 1.07 C ATOM 659 CG LYS A 470 5.631 -6.375 4.031 1.00 1.07 C ATOM 660 CD LYS A 470 6.035 -5.987 5.468 1.00 1.07 C ATOM 661 CE LYS A 470 7.216 -6.788 6.038 1.00 1.07 C ATOM 662 NZ LYS A 470 6.866 -8.217 6.217 1.00 1.07 N ATOM 0 H LYS A 470 4.197 -4.121 2.732 1.00 1.07 H new ATOM 0 HA LYS A 470 7.043 -3.753 3.524 1.00 1.07 H new ATOM 0 HB2 LYS A 470 6.185 -6.129 1.970 1.00 1.07 H new ATOM 0 HB3 LYS A 470 7.511 -5.920 3.096 1.00 1.07 H new ATOM 0 HG2 LYS A 470 4.580 -6.127 3.883 1.00 1.07 H new ATOM 0 HG3 LYS A 470 5.723 -7.456 3.921 1.00 1.07 H new ATOM 0 HD2 LYS A 470 6.289 -4.927 5.486 1.00 1.07 H new ATOM 0 HD3 LYS A 470 5.173 -6.120 6.122 1.00 1.07 H new ATOM 0 HE2 LYS A 470 8.072 -6.703 5.368 1.00 1.07 H new ATOM 0 HE3 LYS A 470 7.517 -6.363 6.996 1.00 1.07 H new ATOM 0 HZ1 LYS A 470 7.574 -8.674 6.827 1.00 1.07 H new ATOM 0 HZ2 LYS A 470 5.928 -8.292 6.659 1.00 1.07 H new ATOM 0 HZ3 LYS A 470 6.851 -8.689 5.291 1.00 1.07 H new ATOM 676 N ARG A 471 7.535 -3.104 1.025 1.00 1.08 N ATOM 677 CA ARG A 471 7.771 -2.564 -0.291 1.00 1.08 C ATOM 678 C ARG A 471 9.059 -3.100 -0.877 1.00 1.08 C ATOM 679 O ARG A 471 10.145 -2.798 -0.376 1.00 1.08 O ATOM 680 CB ARG A 471 7.881 -1.022 -0.128 1.00 1.08 C ATOM 681 CG ARG A 471 6.516 -0.356 -0.300 1.00 1.08 C ATOM 682 CD ARG A 471 6.194 -0.085 -1.775 1.00 1.08 C ATOM 683 NE ARG A 471 6.846 1.213 -2.173 1.00 1.08 N ATOM 684 CZ ARG A 471 6.672 1.807 -3.395 1.00 1.08 C ATOM 685 NH1 ARG A 471 5.956 1.193 -4.381 1.00 1.08 N ATOM 686 NH2 ARG A 471 7.220 3.037 -3.624 1.00 1.08 N ATOM 0 H ARG A 471 8.329 -2.984 1.654 1.00 1.08 H new ATOM 0 HA ARG A 471 6.961 -2.845 -0.964 1.00 1.08 H new ATOM 0 HB2 ARG A 471 8.284 -0.784 0.856 1.00 1.08 H new ATOM 0 HB3 ARG A 471 8.580 -0.624 -0.864 1.00 1.08 H new ATOM 0 HG2 ARG A 471 5.744 -0.995 0.129 1.00 1.08 H new ATOM 0 HG3 ARG A 471 6.497 0.582 0.254 1.00 1.08 H new ATOM 0 HD2 ARG A 471 6.560 -0.900 -2.399 1.00 1.08 H new ATOM 0 HD3 ARG A 471 5.116 -0.029 -1.924 1.00 1.08 H new ATOM 0 HE ARG A 471 7.451 1.676 -1.495 1.00 1.08 H new ATOM 0 HH11 ARG A 471 5.540 0.277 -4.214 1.00 1.08 H new ATOM 0 HH12 ARG A 471 5.837 1.650 -5.285 1.00 1.08 H new ATOM 0 HH21 ARG A 471 7.752 3.503 -2.889 1.00 1.08 H new ATOM 0 HH22 ARG A 471 7.097 3.489 -4.530 1.00 1.08 H new ATOM 700 N GLN A 472 8.975 -3.844 -2.018 1.00 0.85 N ATOM 701 CA GLN A 472 10.144 -4.256 -2.782 1.00 0.85 C ATOM 702 C GLN A 472 10.134 -3.348 -4.001 1.00 0.85 C ATOM 703 O GLN A 472 9.162 -3.342 -4.766 1.00 0.85 O ATOM 704 CB GLN A 472 10.102 -5.727 -3.284 1.00 0.85 C ATOM 705 CG GLN A 472 11.297 -6.127 -4.197 1.00 0.85 C ATOM 706 CD GLN A 472 10.905 -6.433 -5.652 1.00 0.85 C ATOM 707 OE1 GLN A 472 11.096 -7.567 -6.088 1.00 0.85 O ATOM 708 NE2 GLN A 472 10.367 -5.448 -6.412 1.00 0.85 N ATOM 0 H GLN A 472 8.091 -4.163 -2.415 1.00 0.85 H new ATOM 0 HA GLN A 472 11.028 -4.187 -2.148 1.00 0.85 H new ATOM 0 HB2 GLN A 472 10.081 -6.393 -2.421 1.00 0.85 H new ATOM 0 HB3 GLN A 472 9.173 -5.885 -3.832 1.00 0.85 H new ATOM 0 HG2 GLN A 472 12.029 -5.320 -4.192 1.00 0.85 H new ATOM 0 HG3 GLN A 472 11.786 -7.004 -3.772 1.00 0.85 H new ATOM 0 HE21 GLN A 472 10.223 -4.519 -6.016 1.00 0.85 H new ATOM 0 HE22 GLN A 472 10.106 -5.636 -7.380 1.00 0.85 H new ATOM 762 N PRO A 477 16.001 0.241 -3.370 1.00 0.88 N ATOM 763 CA PRO A 477 16.229 -0.576 -2.170 1.00 0.88 C ATOM 764 C PRO A 477 14.941 -1.225 -1.614 1.00 0.88 C ATOM 765 O PRO A 477 13.831 -0.943 -2.074 1.00 0.88 O ATOM 766 CB PRO A 477 16.819 0.461 -1.196 1.00 0.88 C ATOM 767 CG PRO A 477 16.117 1.779 -1.539 1.00 0.88 C ATOM 768 CD PRO A 477 15.840 1.661 -3.042 1.00 0.88 C ATOM 0 HA PRO A 477 16.872 -1.436 -2.356 1.00 0.88 H new ATOM 0 HB2 PRO A 477 16.637 0.176 -0.160 1.00 0.88 H new ATOM 0 HB3 PRO A 477 17.899 0.546 -1.318 1.00 0.88 H new ATOM 0 HG2 PRO A 477 15.195 1.902 -0.970 1.00 0.88 H new ATOM 0 HG3 PRO A 477 16.748 2.639 -1.314 1.00 0.88 H new ATOM 0 HD2 PRO A 477 14.834 2.006 -3.282 1.00 0.88 H new ATOM 0 HD3 PRO A 477 16.533 2.276 -3.616 1.00 0.88 H new ATOM 776 N LEU A 478 15.089 -2.113 -0.589 1.00 0.93 N ATOM 777 CA LEU A 478 13.991 -2.754 0.131 1.00 0.93 C ATOM 778 C LEU A 478 13.531 -1.992 1.377 1.00 0.93 C ATOM 779 O LEU A 478 14.311 -1.670 2.276 1.00 0.93 O ATOM 780 CB LEU A 478 14.235 -4.267 0.336 1.00 0.93 C ATOM 781 CG LEU A 478 13.038 -5.126 -0.142 1.00 0.93 C ATOM 782 CD1 LEU A 478 13.460 -6.495 -0.681 1.00 0.93 C ATOM 783 CD2 LEU A 478 11.927 -5.274 0.905 1.00 0.93 C ATOM 0 H LEU A 478 16.006 -2.398 -0.246 1.00 0.93 H new ATOM 0 HA LEU A 478 13.118 -2.694 -0.519 1.00 0.93 H new ATOM 0 HB2 LEU A 478 15.132 -4.565 -0.206 1.00 0.93 H new ATOM 0 HB3 LEU A 478 14.421 -4.463 1.392 1.00 0.93 H new ATOM 0 HG LEU A 478 12.617 -4.559 -0.972 1.00 0.93 H new ATOM 0 HD11 LEU A 478 12.577 -7.049 -1.000 1.00 0.93 H new ATOM 0 HD12 LEU A 478 14.130 -6.361 -1.530 1.00 0.93 H new ATOM 0 HD13 LEU A 478 13.974 -7.052 0.102 1.00 0.93 H new ATOM 0 HD21 LEU A 478 11.123 -5.888 0.498 1.00 0.93 H new ATOM 0 HD22 LEU A 478 12.330 -5.750 1.799 1.00 0.93 H new ATOM 0 HD23 LEU A 478 11.537 -4.290 1.163 1.00 0.93 H new ATOM 795 N LEU A 479 12.211 -1.672 1.430 1.00 0.81 N ATOM 796 CA LEU A 479 11.505 -0.939 2.457 1.00 0.81 C ATOM 797 C LEU A 479 10.389 -1.711 3.160 1.00 0.81 C ATOM 798 O LEU A 479 9.865 -2.721 2.692 1.00 0.81 O ATOM 799 CB LEU A 479 10.885 0.297 1.814 1.00 0.81 C ATOM 800 CG LEU A 479 11.714 1.540 2.153 1.00 0.81 C ATOM 801 CD1 LEU A 479 11.612 1.980 3.633 1.00 0.81 C ATOM 802 CD2 LEU A 479 13.164 1.493 1.641 1.00 0.81 C ATOM 0 H LEU A 479 11.580 -1.955 0.680 1.00 0.81 H new ATOM 0 HA LEU A 479 12.245 -0.709 3.224 1.00 0.81 H new ATOM 0 HB2 LEU A 479 10.835 0.168 0.733 1.00 0.81 H new ATOM 0 HB3 LEU A 479 9.862 0.426 2.167 1.00 0.81 H new ATOM 0 HG LEU A 479 11.236 2.334 1.580 1.00 0.81 H new ATOM 0 HD11 LEU A 479 12.227 2.866 3.792 1.00 0.81 H new ATOM 0 HD12 LEU A 479 10.574 2.210 3.873 1.00 0.81 H new ATOM 0 HD13 LEU A 479 11.963 1.174 4.277 1.00 0.81 H new ATOM 0 HD21 LEU A 479 13.680 2.411 1.924 1.00 0.81 H new ATOM 0 HD22 LEU A 479 13.678 0.638 2.081 1.00 0.81 H new ATOM 0 HD23 LEU A 479 13.164 1.397 0.555 1.00 0.81 H new ATOM 814 N THR A 480 9.921 -1.157 4.297 1.00 0.69 N ATOM 815 CA THR A 480 8.688 -1.543 4.961 1.00 0.69 C ATOM 816 C THR A 480 8.346 -0.241 5.609 1.00 0.69 C ATOM 817 O THR A 480 9.253 0.470 6.041 1.00 0.69 O ATOM 818 CB THR A 480 8.777 -2.694 5.976 1.00 0.69 C ATOM 819 OG1 THR A 480 8.821 -3.936 5.295 1.00 0.69 O ATOM 820 CG2 THR A 480 7.662 -2.735 7.070 1.00 0.69 C ATOM 0 H THR A 480 10.415 -0.408 4.782 1.00 0.69 H new ATOM 0 HA THR A 480 7.955 -1.963 4.272 1.00 0.69 H new ATOM 0 HB THR A 480 9.699 -2.502 6.525 1.00 0.69 H new ATOM 0 HG1 THR A 480 9.144 -3.796 4.380 1.00 0.69 H new ATOM 0 HG21 THR A 480 7.828 -3.588 7.727 1.00 0.69 H new ATOM 0 HG22 THR A 480 7.692 -1.815 7.654 1.00 0.69 H new ATOM 0 HG23 THR A 480 6.687 -2.830 6.592 1.00 0.69 H new ATOM 828 N TYR A 481 7.041 0.109 5.705 1.00 0.73 N ATOM 829 CA TYR A 481 6.540 1.270 6.417 1.00 0.73 C ATOM 830 C TYR A 481 5.645 0.713 7.531 1.00 0.73 C ATOM 831 O TYR A 481 4.731 -0.044 7.218 1.00 0.73 O ATOM 832 CB TYR A 481 5.683 2.273 5.535 1.00 0.73 C ATOM 833 CG TYR A 481 6.185 2.629 4.143 1.00 0.73 C ATOM 834 CD1 TYR A 481 7.534 2.583 3.757 1.00 0.73 C ATOM 835 CD2 TYR A 481 5.248 3.080 3.188 1.00 0.73 C ATOM 836 CE1 TYR A 481 7.928 2.912 2.453 1.00 0.73 C ATOM 837 CE2 TYR A 481 5.637 3.409 1.880 1.00 0.73 C ATOM 838 CZ TYR A 481 6.983 3.320 1.514 1.00 0.73 C ATOM 839 OH TYR A 481 7.398 3.652 0.209 1.00 0.73 O ATOM 0 H TYR A 481 6.298 -0.438 5.269 1.00 0.73 H new ATOM 0 HA TYR A 481 7.392 1.852 6.768 1.00 0.73 H new ATOM 0 HB2 TYR A 481 4.684 1.850 5.429 1.00 0.73 H new ATOM 0 HB3 TYR A 481 5.578 3.201 6.097 1.00 0.73 H new ATOM 0 HD1 TYR A 481 8.282 2.289 4.478 1.00 0.73 H new ATOM 0 HD2 TYR A 481 4.210 3.174 3.470 1.00 0.73 H new ATOM 0 HE1 TYR A 481 8.970 2.849 2.174 1.00 0.73 H new ATOM 0 HE2 TYR A 481 4.899 3.730 1.159 1.00 0.73 H new ATOM 0 HH TYR A 481 6.619 3.916 -0.325 1.00 0.73 H new ATOM 849 N ARG A 482 5.874 1.032 8.836 1.00 0.84 N ATOM 850 CA ARG A 482 5.118 0.476 9.965 1.00 0.84 C ATOM 851 C ARG A 482 4.025 1.415 10.487 1.00 0.84 C ATOM 852 O ARG A 482 4.021 2.609 10.200 1.00 0.84 O ATOM 853 CB ARG A 482 6.076 0.044 11.109 1.00 0.84 C ATOM 854 CG ARG A 482 7.200 -0.891 10.618 1.00 0.84 C ATOM 855 CD ARG A 482 8.028 -1.487 11.764 1.00 0.84 C ATOM 856 NE ARG A 482 9.080 -2.379 11.162 1.00 0.84 N ATOM 857 CZ ARG A 482 9.903 -3.180 11.908 1.00 0.84 C ATOM 858 NH1 ARG A 482 9.818 -3.197 13.270 1.00 0.84 N ATOM 859 NH2 ARG A 482 10.817 -3.974 11.279 1.00 0.84 N ATOM 0 H ARG A 482 6.599 1.690 9.123 1.00 0.84 H new ATOM 0 HA ARG A 482 4.601 -0.405 9.585 1.00 0.84 H new ATOM 0 HB2 ARG A 482 6.518 0.931 11.562 1.00 0.84 H new ATOM 0 HB3 ARG A 482 5.503 -0.460 11.887 1.00 0.84 H new ATOM 0 HG2 ARG A 482 6.762 -1.701 10.034 1.00 0.84 H new ATOM 0 HG3 ARG A 482 7.860 -0.337 9.950 1.00 0.84 H new ATOM 0 HD2 ARG A 482 8.491 -0.694 12.352 1.00 0.84 H new ATOM 0 HD3 ARG A 482 7.389 -2.054 12.441 1.00 0.84 H new ATOM 0 HE ARG A 482 9.185 -2.387 10.147 1.00 0.84 H new ATOM 0 HH11 ARG A 482 9.135 -2.608 13.746 1.00 0.84 H new ATOM 0 HH12 ARG A 482 10.438 -3.799 13.812 1.00 0.84 H new ATOM 0 HH21 ARG A 482 10.883 -3.968 10.261 1.00 0.84 H new ATOM 0 HH22 ARG A 482 11.434 -4.574 11.827 1.00 0.84 H new ATOM 873 N PHE A 483 3.040 0.851 11.245 1.00 0.68 N ATOM 874 CA PHE A 483 1.832 1.477 11.788 1.00 0.68 C ATOM 875 C PHE A 483 1.743 1.353 13.340 1.00 0.68 C ATOM 876 O PHE A 483 2.419 0.504 13.925 1.00 0.68 O ATOM 877 CB PHE A 483 0.577 0.933 11.036 1.00 0.68 C ATOM 878 CG PHE A 483 0.163 1.794 9.859 1.00 0.68 C ATOM 879 CD1 PHE A 483 0.927 1.846 8.681 1.00 0.68 C ATOM 880 CD2 PHE A 483 -1.024 2.547 9.916 1.00 0.68 C ATOM 881 CE1 PHE A 483 0.577 2.711 7.634 1.00 0.68 C ATOM 882 CE2 PHE A 483 -1.391 3.401 8.870 1.00 0.68 C ATOM 883 CZ PHE A 483 -0.575 3.505 7.740 1.00 0.68 C ATOM 0 H PHE A 483 3.090 -0.134 11.504 1.00 0.68 H new ATOM 0 HA PHE A 483 1.878 2.551 11.609 1.00 0.68 H new ATOM 0 HB2 PHE A 483 0.783 -0.078 10.683 1.00 0.68 H new ATOM 0 HB3 PHE A 483 -0.255 0.863 11.736 1.00 0.68 H new ATOM 0 HD1 PHE A 483 1.795 1.212 8.580 1.00 0.68 H new ATOM 0 HD2 PHE A 483 -1.663 2.464 10.782 1.00 0.68 H new ATOM 0 HE1 PHE A 483 1.193 2.766 6.748 1.00 0.68 H new ATOM 0 HE2 PHE A 483 -2.302 3.978 8.936 1.00 0.68 H new ATOM 0 HZ PHE A 483 -0.831 4.195 6.950 1.00 0.68 H new ATOM 893 N PRO A 484 0.911 2.201 14.025 1.00 0.53 N ATOM 894 CA PRO A 484 0.845 2.393 15.481 1.00 0.53 C ATOM 895 C PRO A 484 -0.217 1.499 16.183 1.00 0.53 C ATOM 896 O PRO A 484 -1.383 1.761 15.896 1.00 0.53 O ATOM 897 CB PRO A 484 0.414 3.880 15.532 1.00 0.53 C ATOM 898 CG PRO A 484 -0.519 4.099 14.323 1.00 0.53 C ATOM 899 CD PRO A 484 -0.108 2.996 13.344 1.00 0.53 C ATOM 0 HA PRO A 484 1.772 2.135 15.993 1.00 0.53 H new ATOM 0 HB2 PRO A 484 -0.100 4.104 16.466 1.00 0.53 H new ATOM 0 HB3 PRO A 484 1.281 4.539 15.479 1.00 0.53 H new ATOM 0 HG2 PRO A 484 -1.568 4.013 14.606 1.00 0.53 H new ATOM 0 HG3 PRO A 484 -0.386 5.090 13.889 1.00 0.53 H new ATOM 0 HD2 PRO A 484 -0.964 2.379 13.072 1.00 0.53 H new ATOM 0 HD3 PRO A 484 0.284 3.422 12.421 1.00 0.53 H new ATOM 907 N PRO A 485 0.018 0.565 17.149 1.00 0.68 N ATOM 908 CA PRO A 485 -0.895 -0.517 17.608 1.00 0.68 C ATOM 909 C PRO A 485 -2.368 -0.256 18.046 1.00 0.68 C ATOM 910 O PRO A 485 -3.003 -1.235 18.434 1.00 0.68 O ATOM 911 CB PRO A 485 -0.074 -1.261 18.686 1.00 0.68 C ATOM 912 CG PRO A 485 1.112 -0.358 18.995 1.00 0.68 C ATOM 913 CD PRO A 485 1.360 0.342 17.667 1.00 0.68 C ATOM 0 HA PRO A 485 -1.163 -1.072 16.709 1.00 0.68 H new ATOM 0 HB2 PRO A 485 -0.672 -1.441 19.579 1.00 0.68 H new ATOM 0 HB3 PRO A 485 0.258 -2.234 18.323 1.00 0.68 H new ATOM 0 HG2 PRO A 485 0.883 0.352 19.790 1.00 0.68 H new ATOM 0 HG3 PRO A 485 1.982 -0.930 19.319 1.00 0.68 H new ATOM 0 HD2 PRO A 485 1.900 1.279 17.801 1.00 0.68 H new ATOM 0 HD3 PRO A 485 1.954 -0.274 16.992 1.00 0.68 H new ATOM 921 N LYS A 486 -2.947 0.980 17.986 1.00 0.85 N ATOM 922 CA LYS A 486 -4.289 1.319 18.427 1.00 0.85 C ATOM 923 C LYS A 486 -5.370 1.625 17.386 1.00 0.85 C ATOM 924 O LYS A 486 -6.556 1.702 17.694 1.00 0.85 O ATOM 925 CB LYS A 486 -4.076 2.483 19.432 1.00 0.85 C ATOM 926 CG LYS A 486 -5.337 3.042 20.090 1.00 0.85 C ATOM 927 CD LYS A 486 -5.034 3.978 21.269 1.00 0.85 C ATOM 928 CE LYS A 486 -6.288 4.572 21.925 1.00 0.85 C ATOM 929 NZ LYS A 486 -7.145 3.515 22.514 1.00 0.85 N ATOM 0 H LYS A 486 -2.449 1.786 17.608 1.00 0.85 H new ATOM 0 HA LYS A 486 -4.735 0.419 18.849 1.00 0.85 H new ATOM 0 HB2 LYS A 486 -3.403 2.139 20.217 1.00 0.85 H new ATOM 0 HB3 LYS A 486 -3.571 3.297 18.912 1.00 0.85 H new ATOM 0 HG2 LYS A 486 -5.920 3.583 19.344 1.00 0.85 H new ATOM 0 HG3 LYS A 486 -5.955 2.215 20.439 1.00 0.85 H new ATOM 0 HD2 LYS A 486 -4.467 3.429 22.021 1.00 0.85 H new ATOM 0 HD3 LYS A 486 -4.397 4.791 20.921 1.00 0.85 H new ATOM 0 HE2 LYS A 486 -5.994 5.278 22.701 1.00 0.85 H new ATOM 0 HE3 LYS A 486 -6.857 5.132 21.183 1.00 0.85 H new ATOM 0 HZ1 LYS A 486 -7.939 3.955 23.022 1.00 0.85 H new ATOM 0 HZ2 LYS A 486 -7.514 2.905 21.757 1.00 0.85 H new ATOM 0 HZ3 LYS A 486 -6.584 2.943 23.177 1.00 0.85 H new ATOM 943 N PHE A 487 -4.996 1.821 16.117 1.00 0.81 N ATOM 944 CA PHE A 487 -5.897 2.254 15.007 1.00 0.81 C ATOM 945 C PHE A 487 -6.853 1.169 14.383 1.00 0.81 C ATOM 946 O PHE A 487 -6.617 -0.026 14.534 1.00 0.81 O ATOM 947 CB PHE A 487 -5.036 3.058 13.960 1.00 0.81 C ATOM 948 CG PHE A 487 -5.847 3.623 12.813 1.00 0.81 C ATOM 949 CD1 PHE A 487 -6.756 4.680 12.982 1.00 0.81 C ATOM 950 CD2 PHE A 487 -5.887 2.888 11.627 1.00 0.81 C ATOM 951 CE1 PHE A 487 -7.701 4.962 11.982 1.00 0.81 C ATOM 952 CE2 PHE A 487 -6.866 3.102 10.657 1.00 0.81 C ATOM 953 CZ PHE A 487 -7.761 4.167 10.825 1.00 0.81 C ATOM 0 H PHE A 487 -4.033 1.683 15.810 1.00 0.81 H new ATOM 0 HA PHE A 487 -6.651 2.906 15.448 1.00 0.81 H new ATOM 0 HB2 PHE A 487 -4.528 3.875 14.472 1.00 0.81 H new ATOM 0 HB3 PHE A 487 -4.263 2.403 13.559 1.00 0.81 H new ATOM 0 HD1 PHE A 487 -6.728 5.277 13.882 1.00 0.81 H new ATOM 0 HD2 PHE A 487 -5.137 2.130 11.455 1.00 0.81 H new ATOM 0 HE1 PHE A 487 -8.383 5.791 12.103 1.00 0.81 H new ATOM 0 HE2 PHE A 487 -6.933 2.459 9.792 1.00 0.81 H new ATOM 0 HZ PHE A 487 -8.498 4.377 10.064 1.00 0.81 H new ATOM 963 N THR A 488 -7.969 1.570 13.661 1.00 0.82 N ATOM 964 CA THR A 488 -8.960 0.685 12.976 1.00 0.82 C ATOM 965 C THR A 488 -9.654 1.250 11.713 1.00 0.82 C ATOM 966 O THR A 488 -10.201 2.348 11.696 1.00 0.82 O ATOM 967 CB THR A 488 -10.022 0.060 13.924 1.00 0.82 C ATOM 968 OG1 THR A 488 -9.378 -0.791 14.879 1.00 0.82 O ATOM 969 CG2 THR A 488 -11.116 -0.795 13.219 1.00 0.82 C ATOM 0 H THR A 488 -8.197 2.557 13.545 1.00 0.82 H new ATOM 0 HA THR A 488 -8.296 -0.102 12.619 1.00 0.82 H new ATOM 0 HB THR A 488 -10.519 0.916 14.381 1.00 0.82 H new ATOM 0 HG1 THR A 488 -8.406 -0.699 14.796 1.00 0.82 H new ATOM 0 HG21 THR A 488 -11.808 -1.186 13.964 1.00 0.82 H new ATOM 0 HG22 THR A 488 -11.661 -0.174 12.508 1.00 0.82 H new ATOM 0 HG23 THR A 488 -10.645 -1.624 12.690 1.00 0.82 H new ATOM 977 N LEU A 489 -9.687 0.409 10.620 1.00 0.93 N ATOM 978 CA LEU A 489 -10.351 0.510 9.318 1.00 0.93 C ATOM 979 C LEU A 489 -11.743 -0.009 9.484 1.00 0.93 C ATOM 980 O LEU A 489 -11.991 -1.029 10.122 1.00 0.93 O ATOM 981 CB LEU A 489 -9.701 -0.470 8.257 1.00 0.93 C ATOM 982 CG LEU A 489 -9.899 -0.383 6.727 1.00 0.93 C ATOM 983 CD1 LEU A 489 -9.308 0.798 5.970 1.00 0.93 C ATOM 984 CD2 LEU A 489 -9.222 -1.628 6.124 1.00 0.93 C ATOM 0 H LEU A 489 -9.168 -0.468 10.667 1.00 0.93 H new ATOM 0 HA LEU A 489 -10.283 1.547 8.988 1.00 0.93 H new ATOM 0 HB2 LEU A 489 -8.625 -0.418 8.422 1.00 0.93 H new ATOM 0 HB3 LEU A 489 -10.019 -1.473 8.543 1.00 0.93 H new ATOM 0 HG LEU A 489 -10.978 -0.283 6.613 1.00 0.93 H new ATOM 0 HD11 LEU A 489 -9.539 0.703 4.909 1.00 0.93 H new ATOM 0 HD12 LEU A 489 -9.734 1.725 6.353 1.00 0.93 H new ATOM 0 HD13 LEU A 489 -8.227 0.813 6.106 1.00 0.93 H new ATOM 0 HD21 LEU A 489 -9.334 -1.614 5.040 1.00 0.93 H new ATOM 0 HD22 LEU A 489 -8.162 -1.625 6.379 1.00 0.93 H new ATOM 0 HD23 LEU A 489 -9.690 -2.527 6.526 1.00 0.93 H new ATOM 996 N LYS A 490 -12.667 0.693 8.856 1.00 0.79 N ATOM 997 CA LYS A 490 -14.062 0.482 8.883 1.00 0.79 C ATOM 998 C LYS A 490 -14.514 -0.401 7.749 1.00 0.79 C ATOM 999 O LYS A 490 -14.157 -0.112 6.612 1.00 0.79 O ATOM 1000 CB LYS A 490 -14.672 1.900 8.630 1.00 0.79 C ATOM 1001 CG LYS A 490 -14.001 2.971 9.530 1.00 0.79 C ATOM 1002 CD LYS A 490 -14.366 2.816 11.017 1.00 0.79 C ATOM 1003 CE LYS A 490 -13.658 3.829 11.929 1.00 0.79 C ATOM 1004 NZ LYS A 490 -14.049 5.220 11.603 1.00 0.79 N ATOM 0 H LYS A 490 -12.416 1.489 8.270 1.00 0.79 H new ATOM 0 HA LYS A 490 -14.361 0.011 9.819 1.00 0.79 H new ATOM 0 HB2 LYS A 490 -14.545 2.171 7.582 1.00 0.79 H new ATOM 0 HB3 LYS A 490 -15.744 1.877 8.826 1.00 0.79 H new ATOM 0 HG2 LYS A 490 -12.919 2.906 9.418 1.00 0.79 H new ATOM 0 HG3 LYS A 490 -14.298 3.963 9.189 1.00 0.79 H new ATOM 0 HD2 LYS A 490 -15.444 2.927 11.132 1.00 0.79 H new ATOM 0 HD3 LYS A 490 -14.113 1.807 11.342 1.00 0.79 H new ATOM 0 HE2 LYS A 490 -13.902 3.616 12.970 1.00 0.79 H new ATOM 0 HE3 LYS A 490 -12.578 3.720 11.826 1.00 0.79 H new ATOM 0 HZ1 LYS A 490 -13.620 5.872 12.291 1.00 0.79 H new ATOM 0 HZ2 LYS A 490 -13.718 5.459 10.646 1.00 0.79 H new ATOM 0 HZ3 LYS A 490 -15.085 5.308 11.643 1.00 0.79 H new ATOM 1018 N ALA A 491 -15.377 -1.420 8.019 1.00 0.40 N ATOM 1019 CA ALA A 491 -16.301 -2.128 7.097 1.00 0.40 C ATOM 1020 C ALA A 491 -16.931 -1.234 5.989 1.00 0.40 C ATOM 1021 O ALA A 491 -17.949 -0.576 6.186 1.00 0.40 O ATOM 1022 CB ALA A 491 -17.485 -2.727 7.890 1.00 0.40 C ATOM 0 H ALA A 491 -15.447 -1.795 8.965 1.00 0.40 H new ATOM 0 HA ALA A 491 -15.678 -2.882 6.617 1.00 0.40 H new ATOM 0 HB1 ALA A 491 -18.157 -3.244 7.205 1.00 0.40 H new ATOM 0 HB2 ALA A 491 -17.107 -3.433 8.630 1.00 0.40 H new ATOM 0 HB3 ALA A 491 -18.027 -1.927 8.395 1.00 0.40 H new ATOM 1028 N GLY A 492 -16.196 -1.087 4.866 1.00 0.27 N ATOM 1029 CA GLY A 492 -16.417 -0.076 3.836 1.00 0.27 C ATOM 1030 C GLY A 492 -15.996 1.376 3.946 1.00 0.27 C ATOM 1031 O GLY A 492 -16.630 2.198 3.289 1.00 0.27 O ATOM 0 H GLY A 492 -15.406 -1.696 4.654 1.00 0.27 H new ATOM 0 HA2 GLY A 492 -15.943 -0.459 2.932 1.00 0.27 H new ATOM 0 HA3 GLY A 492 -17.491 -0.064 3.652 1.00 0.27 H new ATOM 1035 N GLN A 493 -14.886 1.792 4.660 1.00 0.35 N ATOM 1036 CA GLN A 493 -14.420 3.189 4.481 1.00 0.35 C ATOM 1037 C GLN A 493 -13.263 3.219 3.441 1.00 0.35 C ATOM 1038 O GLN A 493 -12.764 2.155 3.062 1.00 0.35 O ATOM 1039 CB GLN A 493 -14.131 4.075 5.730 1.00 0.35 C ATOM 1040 CG GLN A 493 -12.690 4.284 6.250 1.00 0.35 C ATOM 1041 CD GLN A 493 -11.889 3.034 6.567 1.00 0.35 C ATOM 1042 OE1 GLN A 493 -12.003 1.941 5.781 1.00 0.35 O flip ATOM 1043 NE2 GLN A 493 -11.171 3.032 7.564 1.00 0.35 N flip ATOM 0 H GLN A 493 -14.347 1.220 5.310 1.00 0.35 H new ATOM 0 HA GLN A 493 -15.310 3.701 4.114 1.00 0.35 H new ATOM 0 HB2 GLN A 493 -14.540 5.063 5.520 1.00 0.35 H new ATOM 0 HB3 GLN A 493 -14.710 3.660 6.555 1.00 0.35 H new ATOM 0 HG2 GLN A 493 -12.140 4.860 5.506 1.00 0.35 H new ATOM 0 HG3 GLN A 493 -12.739 4.894 7.152 1.00 0.35 H new ATOM 0 HE21 GLN A 493 -11.100 3.869 8.143 1.00 0.35 H new ATOM 0 HE22 GLN A 493 -10.646 2.194 7.813 1.00 0.35 H new ATOM 1052 N VAL A 494 -12.687 4.402 3.104 1.00 0.36 N ATOM 1053 CA VAL A 494 -11.439 4.552 2.336 1.00 0.36 C ATOM 1054 C VAL A 494 -10.286 5.054 3.222 1.00 0.36 C ATOM 1055 O VAL A 494 -10.503 5.854 4.129 1.00 0.36 O ATOM 1056 CB VAL A 494 -11.611 5.603 1.209 1.00 0.36 C ATOM 1057 CG1 VAL A 494 -10.307 5.944 0.430 1.00 0.36 C ATOM 1058 CG2 VAL A 494 -12.692 5.123 0.220 1.00 0.36 C ATOM 0 H VAL A 494 -13.095 5.298 3.370 1.00 0.36 H new ATOM 0 HA VAL A 494 -11.211 3.566 1.931 1.00 0.36 H new ATOM 0 HB VAL A 494 -11.908 6.526 1.707 1.00 0.36 H new ATOM 0 HG11 VAL A 494 -10.525 6.687 -0.337 1.00 0.36 H new ATOM 0 HG12 VAL A 494 -9.564 6.343 1.121 1.00 0.36 H new ATOM 0 HG13 VAL A 494 -9.917 5.041 -0.040 1.00 0.36 H new ATOM 0 HG21 VAL A 494 -12.814 5.861 -0.573 1.00 0.36 H new ATOM 0 HG22 VAL A 494 -12.390 4.170 -0.215 1.00 0.36 H new ATOM 0 HG23 VAL A 494 -13.638 4.998 0.747 1.00 0.36 H new ATOM 1068 N VAL A 495 -9.003 4.669 2.919 1.00 0.55 N ATOM 1069 CA VAL A 495 -7.777 5.203 3.521 1.00 0.55 C ATOM 1070 C VAL A 495 -6.564 5.131 2.596 1.00 0.55 C ATOM 1071 O VAL A 495 -6.153 4.086 2.103 1.00 0.55 O ATOM 1072 CB VAL A 495 -7.482 4.572 4.887 1.00 0.55 C ATOM 1073 CG1 VAL A 495 -7.282 3.055 4.743 1.00 0.55 C ATOM 1074 CG2 VAL A 495 -6.290 5.213 5.632 1.00 0.55 C ATOM 0 H VAL A 495 -8.810 3.951 2.221 1.00 0.55 H new ATOM 0 HA VAL A 495 -7.971 6.263 3.683 1.00 0.55 H new ATOM 0 HB VAL A 495 -8.357 4.770 5.506 1.00 0.55 H new ATOM 0 HG11 VAL A 495 -7.073 2.621 5.721 1.00 0.55 H new ATOM 0 HG12 VAL A 495 -8.186 2.606 4.332 1.00 0.55 H new ATOM 0 HG13 VAL A 495 -6.444 2.860 4.074 1.00 0.55 H new ATOM 0 HG21 VAL A 495 -6.146 4.711 6.589 1.00 0.55 H new ATOM 0 HG22 VAL A 495 -5.387 5.111 5.030 1.00 0.55 H new ATOM 0 HG23 VAL A 495 -6.494 6.270 5.804 1.00 0.55 H new ATOM 1084 N THR A 496 -5.901 6.290 2.353 1.00 0.72 N ATOM 1085 CA THR A 496 -4.665 6.417 1.568 1.00 0.72 C ATOM 1086 C THR A 496 -3.410 6.317 2.435 1.00 0.72 C ATOM 1087 O THR A 496 -3.201 7.052 3.399 1.00 0.72 O ATOM 1088 CB THR A 496 -4.582 7.751 0.789 1.00 0.72 C ATOM 1089 OG1 THR A 496 -5.588 7.801 -0.209 1.00 0.72 O ATOM 1090 CG2 THR A 496 -3.260 7.979 0.013 1.00 0.72 C ATOM 0 H THR A 496 -6.230 7.186 2.713 1.00 0.72 H new ATOM 0 HA THR A 496 -4.704 5.583 0.867 1.00 0.72 H new ATOM 0 HB THR A 496 -4.682 8.507 1.568 1.00 0.72 H new ATOM 0 HG1 THR A 496 -5.526 8.651 -0.694 1.00 0.72 H new ATOM 0 HG21 THR A 496 -3.300 8.940 -0.499 1.00 0.72 H new ATOM 0 HG22 THR A 496 -2.423 7.974 0.711 1.00 0.72 H new ATOM 0 HG23 THR A 496 -3.126 7.183 -0.719 1.00 0.72 H new ATOM 1098 N ILE A 497 -2.471 5.414 2.056 1.00 0.70 N ATOM 1099 CA ILE A 497 -1.131 5.364 2.613 1.00 0.70 C ATOM 1100 C ILE A 497 -0.202 5.686 1.457 1.00 0.70 C ATOM 1101 O ILE A 497 -0.462 5.218 0.347 1.00 0.70 O ATOM 1102 CB ILE A 497 -0.796 4.000 3.224 1.00 0.70 C ATOM 1103 CG1 ILE A 497 -1.767 3.739 4.383 1.00 0.70 C ATOM 1104 CG2 ILE A 497 0.589 4.034 3.902 1.00 0.70 C ATOM 1105 CD1 ILE A 497 -3.119 3.115 4.046 1.00 0.70 C ATOM 0 H ILE A 497 -2.642 4.701 1.347 1.00 0.70 H new ATOM 0 HA ILE A 497 -1.030 6.073 3.435 1.00 0.70 H new ATOM 0 HB ILE A 497 -0.842 3.257 2.428 1.00 0.70 H new ATOM 0 HG12 ILE A 497 -1.266 3.089 5.101 1.00 0.70 H new ATOM 0 HG13 ILE A 497 -1.951 4.688 4.887 1.00 0.70 H new ATOM 0 HG21 ILE A 497 0.809 3.056 4.330 1.00 0.70 H new ATOM 0 HG22 ILE A 497 1.350 4.286 3.163 1.00 0.70 H new ATOM 0 HG23 ILE A 497 0.589 4.784 4.693 1.00 0.70 H new ATOM 0 HD11 ILE A 497 -3.699 2.989 4.960 1.00 0.70 H new ATOM 0 HD12 ILE A 497 -3.660 3.767 3.360 1.00 0.70 H new ATOM 0 HD13 ILE A 497 -2.964 2.143 3.577 1.00 0.70 H new ATOM 1117 N TRP A 498 0.930 6.422 1.715 1.00 0.58 N ATOM 1118 CA TRP A 498 2.050 6.659 0.764 1.00 0.58 C ATOM 1119 C TRP A 498 3.377 7.329 1.117 1.00 0.58 C ATOM 1120 O TRP A 498 3.844 7.231 2.249 1.00 0.58 O ATOM 1121 CB TRP A 498 1.735 6.677 -0.758 1.00 0.58 C ATOM 1122 CG TRP A 498 2.305 5.451 -1.479 1.00 0.58 C ATOM 1123 CD1 TRP A 498 2.773 5.426 -2.750 1.00 0.58 C ATOM 1124 CD2 TRP A 498 2.483 4.096 -0.975 1.00 0.58 C ATOM 1125 NE1 TRP A 498 3.218 4.196 -3.079 1.00 0.58 N ATOM 1126 CE2 TRP A 498 3.068 3.360 -2.018 1.00 0.58 C ATOM 1127 CE3 TRP A 498 2.182 3.463 0.238 1.00 0.58 C ATOM 1128 CZ2 TRP A 498 3.340 2.015 -1.883 1.00 0.58 C ATOM 1129 CZ3 TRP A 498 2.490 2.119 0.396 1.00 0.58 C ATOM 1130 CH2 TRP A 498 3.056 1.411 -0.653 1.00 0.58 C ATOM 0 H TRP A 498 1.083 6.874 2.616 1.00 0.58 H new ATOM 0 HA TRP A 498 2.343 5.676 1.133 1.00 0.58 H new ATOM 0 HB2 TRP A 498 0.655 6.713 -0.904 1.00 0.58 H new ATOM 0 HB3 TRP A 498 2.147 7.583 -1.202 1.00 0.58 H new ATOM 0 HD1 TRP A 498 2.788 6.279 -3.413 1.00 0.58 H new ATOM 0 HE1 TRP A 498 3.607 3.934 -3.985 1.00 0.58 H new ATOM 0 HE3 TRP A 498 1.716 4.015 1.041 1.00 0.58 H new ATOM 0 HZ2 TRP A 498 3.759 1.446 -2.700 1.00 0.58 H new ATOM 0 HZ3 TRP A 498 2.289 1.625 1.335 1.00 0.58 H new ATOM 0 HH2 TRP A 498 3.284 0.364 -0.517 1.00 0.58 H new ATOM 1141 N ALA A 499 4.106 7.913 0.113 1.00 0.33 N ATOM 1142 CA ALA A 499 5.450 8.466 0.253 1.00 0.33 C ATOM 1143 C ALA A 499 5.425 9.970 0.524 1.00 0.33 C ATOM 1144 O ALA A 499 4.505 10.655 0.078 1.00 0.33 O ATOM 1145 CB ALA A 499 6.294 8.081 -0.977 1.00 0.33 C ATOM 0 H ALA A 499 3.743 8.003 -0.836 1.00 0.33 H new ATOM 0 HA ALA A 499 5.927 8.031 1.131 1.00 0.33 H new ATOM 0 HB1 ALA A 499 7.298 8.494 -0.873 1.00 0.33 H new ATOM 0 HB2 ALA A 499 6.354 6.995 -1.052 1.00 0.33 H new ATOM 0 HB3 ALA A 499 5.828 8.482 -1.878 1.00 0.33 H new ATOM 1151 N ALA A 500 6.415 10.521 1.307 1.00 0.18 N ATOM 1152 CA ALA A 500 6.468 11.913 1.806 1.00 0.18 C ATOM 1153 C ALA A 500 6.373 13.076 0.841 1.00 0.18 C ATOM 1154 O ALA A 500 5.830 14.124 1.182 1.00 0.18 O ATOM 1155 CB ALA A 500 7.724 12.140 2.673 1.00 0.18 C ATOM 0 H ALA A 500 7.221 9.974 1.610 1.00 0.18 H new ATOM 0 HA ALA A 500 5.524 11.947 2.350 1.00 0.18 H new ATOM 0 HB1 ALA A 500 7.740 13.171 3.028 1.00 0.18 H new ATOM 0 HB2 ALA A 500 7.704 11.463 3.527 1.00 0.18 H new ATOM 0 HB3 ALA A 500 8.617 11.947 2.078 1.00 0.18 H new ATOM 1161 N GLY A 501 6.928 12.905 -0.384 1.00 0.15 N ATOM 1162 CA GLY A 501 6.938 13.924 -1.421 1.00 0.15 C ATOM 1163 C GLY A 501 6.280 13.398 -2.649 1.00 0.15 C ATOM 1164 O GLY A 501 6.703 13.676 -3.764 1.00 0.15 O ATOM 0 H GLY A 501 7.383 12.037 -0.667 1.00 0.15 H new ATOM 0 HA2 GLY A 501 6.418 14.816 -1.072 1.00 0.15 H new ATOM 0 HA3 GLY A 501 7.963 14.219 -1.644 1.00 0.15 H new ATOM 1168 N ALA A 502 5.202 12.598 -2.489 1.00 0.13 N ATOM 1169 CA ALA A 502 4.462 11.980 -3.582 1.00 0.13 C ATOM 1170 C ALA A 502 3.304 12.814 -4.151 1.00 0.13 C ATOM 1171 O ALA A 502 2.432 12.316 -4.859 1.00 0.13 O ATOM 1172 CB ALA A 502 3.905 10.646 -3.052 1.00 0.13 C ATOM 0 H ALA A 502 4.824 12.367 -1.570 1.00 0.13 H new ATOM 0 HA ALA A 502 5.159 11.865 -4.412 1.00 0.13 H new ATOM 0 HB1 ALA A 502 3.342 10.148 -3.841 1.00 0.13 H new ATOM 0 HB2 ALA A 502 4.730 10.007 -2.736 1.00 0.13 H new ATOM 0 HB3 ALA A 502 3.249 10.837 -2.203 1.00 0.13 H new ATOM 1178 N GLY A 503 3.217 14.123 -3.798 1.00 0.12 N ATOM 1179 CA GLY A 503 2.101 15.006 -4.153 1.00 0.12 C ATOM 1180 C GLY A 503 1.068 15.079 -3.055 1.00 0.12 C ATOM 1181 O GLY A 503 0.183 15.928 -3.059 1.00 0.12 O ATOM 0 H GLY A 503 3.938 14.592 -3.250 1.00 0.12 H new ATOM 0 HA2 GLY A 503 2.482 16.006 -4.360 1.00 0.12 H new ATOM 0 HA3 GLY A 503 1.632 14.647 -5.069 1.00 0.12 H new ATOM 1185 N ALA A 504 1.184 14.156 -2.070 1.00 0.14 N ATOM 1186 CA ALA A 504 0.339 14.048 -0.900 1.00 0.14 C ATOM 1187 C ALA A 504 1.059 14.501 0.375 1.00 0.14 C ATOM 1188 O ALA A 504 2.267 14.351 0.544 1.00 0.14 O ATOM 1189 CB ALA A 504 -0.165 12.599 -0.757 1.00 0.14 C ATOM 0 H ALA A 504 1.911 13.441 -2.090 1.00 0.14 H new ATOM 0 HA ALA A 504 -0.512 14.716 -1.036 1.00 0.14 H new ATOM 0 HB1 ALA A 504 -0.801 12.520 0.125 1.00 0.14 H new ATOM 0 HB2 ALA A 504 -0.737 12.324 -1.643 1.00 0.14 H new ATOM 0 HB3 ALA A 504 0.686 11.926 -0.651 1.00 0.14 H new ATOM 1195 N THR A 505 0.253 15.055 1.313 1.00 0.22 N ATOM 1196 CA THR A 505 0.597 15.612 2.618 1.00 0.22 C ATOM 1197 C THR A 505 0.554 14.532 3.691 1.00 0.22 C ATOM 1198 O THR A 505 0.082 13.423 3.451 1.00 0.22 O ATOM 1199 CB THR A 505 -0.290 16.831 2.935 1.00 0.22 C ATOM 1200 OG1 THR A 505 -0.051 17.506 4.174 1.00 0.22 O ATOM 1201 CG2 THR A 505 -1.751 16.414 2.917 1.00 0.22 C ATOM 0 H THR A 505 -0.751 15.123 1.145 1.00 0.22 H new ATOM 0 HA THR A 505 1.624 15.978 2.598 1.00 0.22 H new ATOM 0 HB THR A 505 -0.027 17.546 2.155 1.00 0.22 H new ATOM 0 HG1 THR A 505 -0.671 18.260 4.261 1.00 0.22 H new ATOM 0 HG21 THR A 505 -2.378 17.277 3.141 1.00 0.22 H new ATOM 0 HG22 THR A 505 -2.007 16.026 1.931 1.00 0.22 H new ATOM 0 HG23 THR A 505 -1.918 15.640 3.666 1.00 0.22 H new ATOM 1209 N HIS A 506 0.987 14.851 4.941 1.00 0.30 N ATOM 1210 CA HIS A 506 0.815 13.989 6.107 1.00 0.30 C ATOM 1211 C HIS A 506 -0.497 14.428 6.748 1.00 0.30 C ATOM 1212 O HIS A 506 -0.623 15.504 7.331 1.00 0.30 O ATOM 1213 CB HIS A 506 2.071 13.884 7.040 1.00 0.30 C ATOM 1214 CG HIS A 506 1.943 14.056 8.544 1.00 0.30 C ATOM 1215 ND1 HIS A 506 2.340 13.076 9.435 1.00 0.30 N ATOM 1216 CD2 HIS A 506 1.478 15.079 9.314 1.00 0.30 C ATOM 1217 CE1 HIS A 506 2.098 13.545 10.681 1.00 0.30 C ATOM 1218 NE2 HIS A 506 1.571 14.752 10.656 1.00 0.30 N ATOM 0 H HIS A 506 1.468 15.725 5.152 1.00 0.30 H new ATOM 0 HA HIS A 506 0.740 12.938 5.826 1.00 0.30 H new ATOM 0 HB2 HIS A 506 2.517 12.904 6.867 1.00 0.30 H new ATOM 0 HB3 HIS A 506 2.790 14.627 6.693 1.00 0.30 H new ATOM 0 HD2 HIS A 506 1.092 16.012 8.932 1.00 0.30 H new ATOM 0 HE1 HIS A 506 2.311 12.996 11.586 1.00 0.30 H new ATOM 0 HE2 HIS A 506 1.292 15.323 11.454 1.00 0.30 H new ATOM 1226 N SER A 507 -1.527 13.578 6.550 1.00 0.26 N ATOM 1227 CA SER A 507 -2.905 13.822 6.980 1.00 0.26 C ATOM 1228 C SER A 507 -3.538 12.654 7.697 1.00 0.26 C ATOM 1229 O SER A 507 -4.413 12.019 7.101 1.00 0.26 O ATOM 1230 CB SER A 507 -3.831 14.215 5.815 1.00 0.26 C ATOM 1231 OG SER A 507 -5.014 14.903 6.234 1.00 0.26 O ATOM 0 H SER A 507 -1.412 12.683 6.074 1.00 0.26 H new ATOM 0 HA SER A 507 -2.808 14.653 7.678 1.00 0.26 H new ATOM 0 HB2 SER A 507 -3.279 14.848 5.120 1.00 0.26 H new ATOM 0 HB3 SER A 507 -4.117 13.316 5.269 1.00 0.26 H new ATOM 0 HG SER A 507 -5.558 15.126 5.450 1.00 0.26 H new ATOM 1237 N PRO A 508 -3.202 12.253 8.928 1.00 0.20 N ATOM 1238 CA PRO A 508 -3.802 11.095 9.605 1.00 0.20 C ATOM 1239 C PRO A 508 -5.254 11.338 10.076 1.00 0.20 C ATOM 1240 O PRO A 508 -5.555 12.473 10.436 1.00 0.20 O ATOM 1241 CB PRO A 508 -2.840 10.832 10.771 1.00 0.20 C ATOM 1242 CG PRO A 508 -1.541 11.453 10.270 1.00 0.20 C ATOM 1243 CD PRO A 508 -2.061 12.757 9.681 1.00 0.20 C ATOM 0 HA PRO A 508 -3.908 10.240 8.938 1.00 0.20 H new ATOM 0 HB2 PRO A 508 -3.184 11.298 11.694 1.00 0.20 H new ATOM 0 HB3 PRO A 508 -2.729 9.767 10.974 1.00 0.20 H new ATOM 0 HG2 PRO A 508 -0.824 11.619 11.074 1.00 0.20 H new ATOM 0 HG3 PRO A 508 -1.045 10.831 9.525 1.00 0.20 H new ATOM 0 HD2 PRO A 508 -2.351 13.475 10.448 1.00 0.20 H new ATOM 0 HD3 PRO A 508 -1.326 13.250 9.045 1.00 0.20 H new ATOM 1251 N PRO A 509 -6.171 10.353 10.091 1.00 0.37 N ATOM 1252 CA PRO A 509 -5.985 8.957 9.699 1.00 0.37 C ATOM 1253 C PRO A 509 -6.362 8.762 8.225 1.00 0.37 C ATOM 1254 O PRO A 509 -7.000 7.765 7.897 1.00 0.37 O ATOM 1255 CB PRO A 509 -7.002 8.272 10.634 1.00 0.37 C ATOM 1256 CG PRO A 509 -8.189 9.249 10.724 1.00 0.37 C ATOM 1257 CD PRO A 509 -7.546 10.624 10.509 1.00 0.37 C ATOM 0 HA PRO A 509 -4.966 8.579 9.784 1.00 0.37 H new ATOM 0 HB2 PRO A 509 -7.315 7.307 10.236 1.00 0.37 H new ATOM 0 HB3 PRO A 509 -6.570 8.086 11.617 1.00 0.37 H new ATOM 0 HG2 PRO A 509 -8.941 9.036 9.965 1.00 0.37 H new ATOM 0 HG3 PRO A 509 -8.686 9.187 11.692 1.00 0.37 H new ATOM 0 HD2 PRO A 509 -8.082 11.193 9.749 1.00 0.37 H new ATOM 0 HD3 PRO A 509 -7.568 11.215 11.425 1.00 0.37 H new ATOM 1265 N THR A 510 -6.013 9.698 7.303 1.00 0.65 N ATOM 1266 CA THR A 510 -6.479 9.640 5.913 1.00 0.65 C ATOM 1267 C THR A 510 -5.377 9.527 4.892 1.00 0.65 C ATOM 1268 O THR A 510 -5.605 8.961 3.828 1.00 0.65 O ATOM 1269 CB THR A 510 -7.408 10.803 5.543 1.00 0.65 C ATOM 1270 OG1 THR A 510 -6.894 12.096 5.905 1.00 0.65 O ATOM 1271 CG2 THR A 510 -8.738 10.594 6.289 1.00 0.65 C ATOM 0 H THR A 510 -5.411 10.496 7.508 1.00 0.65 H new ATOM 0 HA THR A 510 -7.049 8.711 5.876 1.00 0.65 H new ATOM 0 HB THR A 510 -7.518 10.797 4.459 1.00 0.65 H new ATOM 0 HG1 THR A 510 -6.052 11.988 6.395 1.00 0.65 H new ATOM 0 HG21 THR A 510 -9.423 11.407 6.047 1.00 0.65 H new ATOM 0 HG22 THR A 510 -9.180 9.645 5.986 1.00 0.65 H new ATOM 0 HG23 THR A 510 -8.555 10.582 7.363 1.00 0.65 H new ATOM 1279 N ASP A 511 -4.182 10.085 5.196 1.00 0.62 N ATOM 1280 CA ASP A 511 -3.026 10.120 4.329 1.00 0.62 C ATOM 1281 C ASP A 511 -1.865 9.891 5.262 1.00 0.62 C ATOM 1282 O ASP A 511 -1.444 10.808 5.963 1.00 0.62 O ATOM 1283 CB ASP A 511 -2.854 11.511 3.612 1.00 0.62 C ATOM 1284 CG ASP A 511 -2.470 11.298 2.145 1.00 0.62 C ATOM 1285 OD1 ASP A 511 -1.390 10.696 1.901 1.00 0.62 O ATOM 1286 OD2 ASP A 511 -3.252 11.729 1.257 1.00 0.62 O ATOM 0 H ASP A 511 -4.011 10.537 6.094 1.00 0.62 H new ATOM 0 HA ASP A 511 -3.109 9.381 3.532 1.00 0.62 H new ATOM 0 HB2 ASP A 511 -3.782 12.080 3.675 1.00 0.62 H new ATOM 0 HB3 ASP A 511 -2.086 12.097 4.116 1.00 0.62 H new ATOM 1291 N LEU A 512 -1.267 8.677 5.276 1.00 0.38 N ATOM 1292 CA LEU A 512 -0.099 8.410 6.114 1.00 0.38 C ATOM 1293 C LEU A 512 1.095 8.376 5.205 1.00 0.38 C ATOM 1294 O LEU A 512 1.202 7.485 4.366 1.00 0.38 O ATOM 1295 CB LEU A 512 -0.146 7.091 6.928 1.00 0.38 C ATOM 1296 CG LEU A 512 -1.267 6.988 7.977 1.00 0.38 C ATOM 1297 CD1 LEU A 512 -1.487 8.259 8.809 1.00 0.38 C ATOM 1298 CD2 LEU A 512 -2.519 6.500 7.261 1.00 0.38 C ATOM 0 H LEU A 512 -1.578 7.881 4.719 1.00 0.38 H new ATOM 0 HA LEU A 512 -0.060 9.201 6.863 1.00 0.38 H new ATOM 0 HB2 LEU A 512 -0.250 6.260 6.231 1.00 0.38 H new ATOM 0 HB3 LEU A 512 0.811 6.965 7.434 1.00 0.38 H new ATOM 0 HG LEU A 512 -0.970 6.269 8.740 1.00 0.38 H new ATOM 0 HD11 LEU A 512 -2.296 8.092 9.521 1.00 0.38 H new ATOM 0 HD12 LEU A 512 -0.572 8.503 9.349 1.00 0.38 H new ATOM 0 HD13 LEU A 512 -1.750 9.085 8.148 1.00 0.38 H new ATOM 0 HD21 LEU A 512 -3.337 6.415 7.976 1.00 0.38 H new ATOM 0 HD22 LEU A 512 -2.792 7.210 6.480 1.00 0.38 H new ATOM 0 HD23 LEU A 512 -2.325 5.525 6.813 1.00 0.38 H new ATOM 1310 N VAL A 513 2.021 9.356 5.355 1.00 0.38 N ATOM 1311 CA VAL A 513 3.234 9.427 4.558 1.00 0.38 C ATOM 1312 C VAL A 513 4.432 8.939 5.356 1.00 0.38 C ATOM 1313 O VAL A 513 4.544 9.113 6.572 1.00 0.38 O ATOM 1314 CB VAL A 513 3.520 10.735 3.832 1.00 0.38 C ATOM 1315 CG1 VAL A 513 2.502 11.003 2.703 1.00 0.38 C ATOM 1316 CG2 VAL A 513 3.593 11.848 4.840 1.00 0.38 C ATOM 0 H VAL A 513 1.932 10.110 6.036 1.00 0.38 H new ATOM 0 HA VAL A 513 3.038 8.748 3.729 1.00 0.38 H new ATOM 0 HB VAL A 513 4.485 10.668 3.330 1.00 0.38 H new ATOM 0 HG11 VAL A 513 2.743 11.946 2.212 1.00 0.38 H new ATOM 0 HG12 VAL A 513 2.545 10.193 1.975 1.00 0.38 H new ATOM 0 HG13 VAL A 513 1.498 11.060 3.124 1.00 0.38 H new ATOM 0 HG21 VAL A 513 3.798 12.789 4.329 1.00 0.38 H new ATOM 0 HG22 VAL A 513 2.643 11.922 5.370 1.00 0.38 H new ATOM 0 HG23 VAL A 513 4.391 11.641 5.553 1.00 0.38 H new ATOM 1326 N TRP A 514 5.349 8.314 4.603 1.00 0.57 N ATOM 1327 CA TRP A 514 6.607 7.735 5.045 1.00 0.57 C ATOM 1328 C TRP A 514 7.801 8.620 4.669 1.00 0.57 C ATOM 1329 O TRP A 514 7.833 9.279 3.632 1.00 0.57 O ATOM 1330 CB TRP A 514 6.723 6.276 4.550 1.00 0.57 C ATOM 1331 CG TRP A 514 8.034 5.567 4.822 1.00 0.57 C ATOM 1332 CD1 TRP A 514 9.093 5.582 3.983 1.00 0.57 C ATOM 1333 CD2 TRP A 514 8.457 4.838 5.980 1.00 0.57 C ATOM 1334 NE1 TRP A 514 10.086 4.766 4.452 1.00 0.57 N ATOM 1335 CE2 TRP A 514 9.748 4.334 5.698 1.00 0.57 C ATOM 1336 CE3 TRP A 514 7.845 4.593 7.189 1.00 0.57 C ATOM 1337 CZ2 TRP A 514 10.435 3.541 6.608 1.00 0.57 C ATOM 1338 CZ3 TRP A 514 8.542 3.779 8.082 1.00 0.57 C ATOM 1339 CH2 TRP A 514 9.789 3.221 7.796 1.00 0.57 C ATOM 0 H TRP A 514 5.212 8.196 3.599 1.00 0.57 H new ATOM 0 HA TRP A 514 6.621 7.696 6.134 1.00 0.57 H new ATOM 0 HB2 TRP A 514 5.921 5.697 5.008 1.00 0.57 H new ATOM 0 HB3 TRP A 514 6.548 6.267 3.474 1.00 0.57 H new ATOM 0 HD1 TRP A 514 9.148 6.157 3.071 1.00 0.57 H new ATOM 0 HE1 TRP A 514 10.940 4.521 3.950 1.00 0.57 H new ATOM 0 HE3 TRP A 514 6.878 5.008 7.433 1.00 0.57 H new ATOM 0 HZ2 TRP A 514 11.434 3.186 6.400 1.00 0.57 H new ATOM 0 HZ3 TRP A 514 8.094 3.570 9.042 1.00 0.57 H new ATOM 0 HH2 TRP A 514 10.251 2.542 8.497 1.00 0.57 H new ATOM 1350 N LYS A 515 8.780 8.597 5.608 1.00 0.60 N ATOM 1351 CA LYS A 515 9.976 9.393 5.759 1.00 0.60 C ATOM 1352 C LYS A 515 11.258 8.896 5.104 1.00 0.60 C ATOM 1353 O LYS A 515 12.015 9.692 4.553 1.00 0.60 O ATOM 1354 CB LYS A 515 10.173 9.552 7.288 1.00 0.60 C ATOM 1355 CG LYS A 515 11.179 10.635 7.696 1.00 0.60 C ATOM 1356 CD LYS A 515 11.294 10.803 9.220 1.00 0.60 C ATOM 1357 CE LYS A 515 10.078 11.461 9.894 1.00 0.60 C ATOM 1358 NZ LYS A 515 9.861 12.841 9.397 1.00 0.60 N ATOM 0 H LYS A 515 8.718 7.920 6.369 1.00 0.60 H new ATOM 0 HA LYS A 515 9.807 10.323 5.216 1.00 0.60 H new ATOM 0 HB2 LYS A 515 9.209 9.781 7.743 1.00 0.60 H new ATOM 0 HB3 LYS A 515 10.501 8.597 7.699 1.00 0.60 H new ATOM 0 HG2 LYS A 515 12.159 10.386 7.288 1.00 0.60 H new ATOM 0 HG3 LYS A 515 10.882 11.585 7.252 1.00 0.60 H new ATOM 0 HD2 LYS A 515 11.452 9.822 9.668 1.00 0.60 H new ATOM 0 HD3 LYS A 515 12.179 11.400 9.439 1.00 0.60 H new ATOM 0 HE2 LYS A 515 9.188 10.861 9.705 1.00 0.60 H new ATOM 0 HE3 LYS A 515 10.226 11.481 10.974 1.00 0.60 H new ATOM 0 HZ1 LYS A 515 9.146 13.314 9.986 1.00 0.60 H new ATOM 0 HZ2 LYS A 515 10.754 13.371 9.444 1.00 0.60 H new ATOM 0 HZ3 LYS A 515 9.530 12.807 8.412 1.00 0.60 H new ATOM 1372 N ALA A 516 11.559 7.567 5.152 1.00 0.54 N ATOM 1373 CA ALA A 516 12.818 6.998 4.639 1.00 0.54 C ATOM 1374 C ALA A 516 12.795 6.594 3.159 1.00 0.54 C ATOM 1375 O ALA A 516 13.735 6.006 2.627 1.00 0.54 O ATOM 1376 CB ALA A 516 13.258 5.810 5.524 1.00 0.54 C ATOM 0 H ALA A 516 10.930 6.869 5.549 1.00 0.54 H new ATOM 0 HA ALA A 516 13.548 7.805 4.694 1.00 0.54 H new ATOM 0 HB1 ALA A 516 14.189 5.395 5.139 1.00 0.54 H new ATOM 0 HB2 ALA A 516 13.410 6.155 6.547 1.00 0.54 H new ATOM 0 HB3 ALA A 516 12.485 5.041 5.512 1.00 0.54 H new ATOM 1382 N GLN A 517 11.685 6.935 2.469 1.00 0.69 N ATOM 1383 CA GLN A 517 11.443 6.711 1.073 1.00 0.69 C ATOM 1384 C GLN A 517 10.534 7.851 0.690 1.00 0.69 C ATOM 1385 O GLN A 517 9.436 7.969 1.228 1.00 0.69 O ATOM 1386 CB GLN A 517 10.917 5.333 0.773 1.00 0.69 C ATOM 1387 CG GLN A 517 10.869 5.007 -0.734 1.00 0.69 C ATOM 1388 CD GLN A 517 12.111 5.330 -1.593 1.00 0.69 C ATOM 1389 OE1 GLN A 517 12.450 6.475 -1.899 1.00 0.69 O ATOM 1390 NE2 GLN A 517 12.805 4.246 -2.028 1.00 0.69 N ATOM 0 H GLN A 517 10.900 7.402 2.923 1.00 0.69 H new ATOM 0 HA GLN A 517 12.351 6.715 0.471 1.00 0.69 H new ATOM 0 HB2 GLN A 517 11.543 4.596 1.276 1.00 0.69 H new ATOM 0 HB3 GLN A 517 9.914 5.237 1.190 1.00 0.69 H new ATOM 0 HG2 GLN A 517 10.661 3.942 -0.837 1.00 0.69 H new ATOM 0 HG3 GLN A 517 10.021 5.540 -1.163 1.00 0.69 H new ATOM 0 HE21 GLN A 517 12.505 3.308 -1.762 1.00 0.69 H new ATOM 0 HE22 GLN A 517 13.626 4.370 -2.621 1.00 0.69 H new ATOM 1520 N ARG A 527 6.601 -4.563 -6.432 1.00 0.46 N ATOM 1521 CA ARG A 527 5.614 -5.401 -5.770 1.00 0.46 C ATOM 1522 C ARG A 527 5.435 -4.735 -4.426 1.00 0.46 C ATOM 1523 O ARG A 527 6.397 -4.484 -3.691 1.00 0.46 O ATOM 1524 CB ARG A 527 5.998 -6.915 -5.592 1.00 0.46 C ATOM 1525 CG ARG A 527 7.370 -7.363 -6.133 1.00 0.46 C ATOM 1526 CD ARG A 527 7.377 -7.643 -7.644 1.00 0.46 C ATOM 1527 NE ARG A 527 8.716 -8.213 -8.027 1.00 0.46 N ATOM 1528 CZ ARG A 527 8.894 -9.151 -9.009 1.00 0.46 C ATOM 1529 NH1 ARG A 527 7.835 -9.636 -9.720 1.00 0.46 N ATOM 1530 NH2 ARG A 527 10.153 -9.599 -9.287 1.00 0.46 N ATOM 0 HA ARG A 527 4.714 -5.461 -6.382 1.00 0.46 H new ATOM 0 HB2 ARG A 527 5.962 -7.150 -4.528 1.00 0.46 H new ATOM 0 HB3 ARG A 527 5.230 -7.517 -6.078 1.00 0.46 H new ATOM 0 HG2 ARG A 527 8.107 -6.591 -5.912 1.00 0.46 H new ATOM 0 HG3 ARG A 527 7.683 -8.263 -5.604 1.00 0.46 H new ATOM 0 HD2 ARG A 527 6.582 -8.343 -7.902 1.00 0.46 H new ATOM 0 HD3 ARG A 527 7.186 -6.724 -8.199 1.00 0.46 H new ATOM 0 HE ARG A 527 9.540 -7.881 -7.526 1.00 0.46 H new ATOM 0 HH11 ARG A 527 6.892 -9.300 -9.524 1.00 0.46 H new ATOM 0 HH12 ARG A 527 7.986 -10.334 -10.448 1.00 0.46 H new ATOM 0 HH21 ARG A 527 10.950 -9.235 -8.765 1.00 0.46 H new ATOM 0 HH22 ARG A 527 10.296 -10.297 -10.016 1.00 0.46 H new ATOM 1544 N THR A 528 4.172 -4.396 -4.099 1.00 0.24 N ATOM 1545 CA THR A 528 3.781 -3.648 -2.922 1.00 0.24 C ATOM 1546 C THR A 528 2.746 -4.461 -2.210 1.00 0.24 C ATOM 1547 O THR A 528 1.760 -4.877 -2.813 1.00 0.24 O ATOM 1548 CB THR A 528 3.128 -2.341 -3.348 1.00 0.24 C ATOM 1549 OG1 THR A 528 4.061 -1.517 -4.028 1.00 0.24 O ATOM 1550 CG2 THR A 528 2.597 -1.543 -2.151 1.00 0.24 C ATOM 0 H THR A 528 3.376 -4.654 -4.682 1.00 0.24 H new ATOM 0 HA THR A 528 4.648 -3.443 -2.294 1.00 0.24 H new ATOM 0 HB THR A 528 2.298 -2.613 -4.000 1.00 0.24 H new ATOM 0 HG1 THR A 528 3.677 -0.624 -4.155 1.00 0.24 H new ATOM 0 HG21 THR A 528 2.140 -0.619 -2.504 1.00 0.24 H new ATOM 0 HG22 THR A 528 1.853 -2.136 -1.620 1.00 0.24 H new ATOM 0 HG23 THR A 528 3.421 -1.306 -1.477 1.00 0.24 H new ATOM 1558 N ALA A 529 2.892 -4.697 -0.892 1.00 0.22 N ATOM 1559 CA ALA A 529 1.859 -5.459 -0.217 1.00 0.22 C ATOM 1560 C ALA A 529 1.683 -4.972 1.183 1.00 0.22 C ATOM 1561 O ALA A 529 2.663 -4.686 1.861 1.00 0.22 O ATOM 1562 CB ALA A 529 2.231 -6.962 -0.182 1.00 0.22 C ATOM 0 H ALA A 529 3.672 -4.386 -0.313 1.00 0.22 H new ATOM 0 HA ALA A 529 0.928 -5.327 -0.769 1.00 0.22 H new ATOM 0 HB1 ALA A 529 1.445 -7.519 0.328 1.00 0.22 H new ATOM 0 HB2 ALA A 529 2.337 -7.334 -1.201 1.00 0.22 H new ATOM 0 HB3 ALA A 529 3.173 -7.091 0.352 1.00 0.22 H new ATOM 1568 N LEU A 530 0.417 -4.929 1.681 1.00 0.44 N ATOM 1569 CA LEU A 530 0.076 -4.656 3.062 1.00 0.44 C ATOM 1570 C LEU A 530 -0.144 -5.969 3.840 1.00 0.44 C ATOM 1571 O LEU A 530 -0.853 -6.885 3.392 1.00 0.44 O ATOM 1572 CB LEU A 530 -1.111 -3.630 3.096 1.00 0.44 C ATOM 1573 CG LEU A 530 -1.592 -3.101 4.469 1.00 0.44 C ATOM 1574 CD1 LEU A 530 -2.693 -4.024 5.030 1.00 0.44 C ATOM 1575 CD2 LEU A 530 -0.415 -2.868 5.433 1.00 0.44 C ATOM 0 H LEU A 530 -0.403 -5.091 1.096 1.00 0.44 H new ATOM 0 HA LEU A 530 0.899 -4.177 3.592 1.00 0.44 H new ATOM 0 HB2 LEU A 530 -0.823 -2.770 2.492 1.00 0.44 H new ATOM 0 HB3 LEU A 530 -1.965 -4.094 2.602 1.00 0.44 H new ATOM 0 HG LEU A 530 -2.043 -2.117 4.340 1.00 0.44 H new ATOM 0 HD11 LEU A 530 -3.027 -3.646 5.996 1.00 0.44 H new ATOM 0 HD12 LEU A 530 -3.535 -4.047 4.339 1.00 0.44 H new ATOM 0 HD13 LEU A 530 -2.296 -5.032 5.152 1.00 0.44 H new ATOM 0 HD21 LEU A 530 -0.793 -2.497 6.386 1.00 0.44 H new ATOM 0 HD22 LEU A 530 0.115 -3.807 5.594 1.00 0.44 H new ATOM 0 HD23 LEU A 530 0.268 -2.135 5.003 1.00 0.44 H new ATOM 1587 N ILE A 531 0.447 -6.021 5.089 1.00 0.48 N ATOM 1588 CA ILE A 531 0.294 -7.023 6.141 1.00 0.48 C ATOM 1589 C ILE A 531 -0.734 -6.437 7.076 1.00 0.48 C ATOM 1590 O ILE A 531 -0.540 -5.323 7.581 1.00 0.48 O ATOM 1591 CB ILE A 531 1.528 -7.302 7.022 1.00 0.48 C ATOM 1592 CG1 ILE A 531 2.797 -7.569 6.216 1.00 0.48 C ATOM 1593 CG2 ILE A 531 1.285 -8.486 7.961 1.00 0.48 C ATOM 1594 CD1 ILE A 531 2.689 -8.619 5.106 1.00 0.48 C ATOM 0 H ILE A 531 1.092 -5.286 5.380 1.00 0.48 H new ATOM 0 HA ILE A 531 0.059 -7.964 5.644 1.00 0.48 H new ATOM 0 HB ILE A 531 1.680 -6.390 7.599 1.00 0.48 H new ATOM 0 HG12 ILE A 531 3.121 -6.630 5.768 1.00 0.48 H new ATOM 0 HG13 ILE A 531 3.581 -7.880 6.906 1.00 0.48 H new ATOM 0 HG21 ILE A 531 2.174 -8.657 8.569 1.00 0.48 H new ATOM 0 HG22 ILE A 531 0.438 -8.267 8.611 1.00 0.48 H new ATOM 0 HG23 ILE A 531 1.070 -9.378 7.373 1.00 0.48 H new ATOM 0 HD11 ILE A 531 3.652 -8.720 4.606 1.00 0.48 H new ATOM 0 HD12 ILE A 531 2.402 -9.578 5.539 1.00 0.48 H new ATOM 0 HD13 ILE A 531 1.935 -8.308 4.383 1.00 0.48 H new ATOM 1606 N ASN A 532 -1.816 -7.227 7.318 1.00 0.42 N ATOM 1607 CA ASN A 532 -2.992 -6.982 8.142 1.00 0.42 C ATOM 1608 C ASN A 532 -2.816 -6.707 9.631 1.00 0.42 C ATOM 1609 O ASN A 532 -1.739 -6.654 10.226 1.00 0.42 O ATOM 1610 CB ASN A 532 -4.110 -8.073 7.928 1.00 0.42 C ATOM 1611 CG ASN A 532 -4.145 -9.394 8.743 1.00 0.42 C ATOM 1612 OD1 ASN A 532 -3.325 -9.745 9.588 1.00 0.42 O ATOM 1613 ND2 ASN A 532 -5.217 -10.179 8.494 1.00 0.42 N ATOM 0 H ASN A 532 -1.873 -8.148 6.884 1.00 0.42 H new ATOM 0 HA ASN A 532 -3.297 -6.012 7.749 1.00 0.42 H new ATOM 0 HB2 ASN A 532 -5.067 -7.578 8.093 1.00 0.42 H new ATOM 0 HB3 ASN A 532 -4.075 -8.355 6.876 1.00 0.42 H new ATOM 0 HD21 ASN A 532 -5.339 -11.053 9.006 1.00 0.42 H new ATOM 0 HD22 ASN A 532 -5.904 -9.897 7.795 1.00 0.42 H new ATOM 1620 N SER A 533 -4.004 -6.628 10.272 1.00 0.53 N ATOM 1621 CA SER A 533 -4.294 -6.416 11.679 1.00 0.53 C ATOM 1622 C SER A 533 -3.870 -7.554 12.640 1.00 0.53 C ATOM 1623 O SER A 533 -4.072 -7.440 13.847 1.00 0.53 O ATOM 1624 CB SER A 533 -5.859 -6.307 11.763 1.00 0.53 C ATOM 1625 OG SER A 533 -6.438 -6.085 13.054 1.00 0.53 O ATOM 0 H SER A 533 -4.870 -6.724 9.741 1.00 0.53 H new ATOM 0 HA SER A 533 -3.730 -5.540 11.998 1.00 0.53 H new ATOM 0 HB2 SER A 533 -6.175 -5.495 11.108 1.00 0.53 H new ATOM 0 HB3 SER A 533 -6.282 -7.226 11.358 1.00 0.53 H new ATOM 0 HG SER A 533 -5.785 -6.312 13.749 1.00 0.53 H new ATOM 1631 N THR A 534 -3.375 -8.698 12.116 1.00 0.57 N ATOM 1632 CA THR A 534 -2.983 -9.903 12.871 1.00 0.57 C ATOM 1633 C THR A 534 -1.669 -10.476 12.347 1.00 0.57 C ATOM 1634 O THR A 534 -1.275 -11.573 12.728 1.00 0.57 O ATOM 1635 CB THR A 534 -4.047 -11.023 12.876 1.00 0.57 C ATOM 1636 OG1 THR A 534 -4.553 -11.287 11.570 1.00 0.57 O ATOM 1637 CG2 THR A 534 -5.241 -10.620 13.759 1.00 0.57 C ATOM 0 H THR A 534 -3.233 -8.808 11.112 1.00 0.57 H new ATOM 0 HA THR A 534 -2.870 -9.561 13.900 1.00 0.57 H new ATOM 0 HB THR A 534 -3.554 -11.916 13.261 1.00 0.57 H new ATOM 0 HG1 THR A 534 -4.057 -10.755 10.913 1.00 0.57 H new ATOM 0 HG21 THR A 534 -5.983 -11.418 13.754 1.00 0.57 H new ATOM 0 HG22 THR A 534 -4.898 -10.450 14.780 1.00 0.57 H new ATOM 0 HG23 THR A 534 -5.689 -9.705 13.370 1.00 0.57 H new ATOM 1645 N GLY A 535 -1.024 -9.762 11.392 1.00 0.49 N ATOM 1646 CA GLY A 535 0.160 -10.140 10.634 1.00 0.49 C ATOM 1647 C GLY A 535 0.045 -11.185 9.539 1.00 0.49 C ATOM 1648 O GLY A 535 0.953 -11.986 9.341 1.00 0.49 O ATOM 0 H GLY A 535 -1.357 -8.836 11.122 1.00 0.49 H new ATOM 0 HA2 GLY A 535 0.560 -9.234 10.180 1.00 0.49 H new ATOM 0 HA3 GLY A 535 0.905 -10.494 11.347 1.00 0.49 H new ATOM 1652 N GLU A 536 -1.054 -11.170 8.750 1.00 0.56 N ATOM 1653 CA GLU A 536 -1.318 -11.979 7.591 1.00 0.56 C ATOM 1654 C GLU A 536 -1.379 -10.983 6.468 1.00 0.56 C ATOM 1655 O GLU A 536 -2.012 -9.951 6.623 1.00 0.56 O ATOM 1656 CB GLU A 536 -2.706 -12.672 7.640 1.00 0.56 C ATOM 1657 CG GLU A 536 -2.848 -13.460 8.945 1.00 0.56 C ATOM 1658 CD GLU A 536 -4.200 -14.162 9.010 1.00 0.56 C ATOM 1659 OE1 GLU A 536 -5.239 -13.448 9.017 1.00 0.56 O ATOM 1660 OE2 GLU A 536 -4.215 -15.420 9.057 1.00 0.56 O ATOM 0 H GLU A 536 -1.826 -10.532 8.944 1.00 0.56 H new ATOM 0 HA GLU A 536 -0.564 -12.761 7.501 1.00 0.56 H new ATOM 0 HB2 GLU A 536 -3.498 -11.926 7.567 1.00 0.56 H new ATOM 0 HB3 GLU A 536 -2.819 -13.341 6.787 1.00 0.56 H new ATOM 0 HG2 GLU A 536 -2.047 -14.196 9.020 1.00 0.56 H new ATOM 0 HG3 GLU A 536 -2.742 -12.786 9.795 1.00 0.56 H new ATOM 1667 N GLU A 537 -0.792 -11.265 5.300 1.00 0.57 N ATOM 1668 CA GLU A 537 -0.905 -10.452 4.076 1.00 0.57 C ATOM 1669 C GLU A 537 -2.316 -10.499 3.477 1.00 0.57 C ATOM 1670 O GLU A 537 -2.873 -11.568 3.228 1.00 0.57 O ATOM 1671 CB GLU A 537 0.128 -10.850 3.009 1.00 0.57 C ATOM 1672 CG GLU A 537 0.356 -9.773 1.931 1.00 0.57 C ATOM 1673 CD GLU A 537 1.315 -10.305 0.870 1.00 0.57 C ATOM 1674 OE1 GLU A 537 2.500 -10.559 1.217 1.00 0.57 O ATOM 1675 OE2 GLU A 537 0.879 -10.459 -0.302 1.00 0.57 O ATOM 0 H GLU A 537 -0.206 -12.090 5.172 1.00 0.57 H new ATOM 0 HA GLU A 537 -0.696 -9.428 4.385 1.00 0.57 H new ATOM 0 HB2 GLU A 537 1.077 -11.067 3.499 1.00 0.57 H new ATOM 0 HB3 GLU A 537 -0.199 -11.771 2.526 1.00 0.57 H new ATOM 0 HG2 GLU A 537 -0.593 -9.497 1.472 1.00 0.57 H new ATOM 0 HG3 GLU A 537 0.765 -8.870 2.385 1.00 0.57 H new ATOM 1682 N VAL A 538 -2.936 -9.307 3.314 1.00 0.44 N ATOM 1683 CA VAL A 538 -4.344 -9.178 2.905 1.00 0.44 C ATOM 1684 C VAL A 538 -4.627 -8.305 1.720 1.00 0.44 C ATOM 1685 O VAL A 538 -5.699 -8.376 1.148 1.00 0.44 O ATOM 1686 CB VAL A 538 -5.282 -8.720 4.031 1.00 0.44 C ATOM 1687 CG1 VAL A 538 -5.287 -9.724 5.199 1.00 0.44 C ATOM 1688 CG2 VAL A 538 -5.029 -7.249 4.429 1.00 0.44 C ATOM 0 H VAL A 538 -2.470 -8.412 3.463 1.00 0.44 H new ATOM 0 HA VAL A 538 -4.548 -10.210 2.618 1.00 0.44 H new ATOM 0 HB VAL A 538 -6.305 -8.723 3.656 1.00 0.44 H new ATOM 0 HG11 VAL A 538 -5.961 -9.371 5.980 1.00 0.44 H new ATOM 0 HG12 VAL A 538 -5.625 -10.697 4.841 1.00 0.44 H new ATOM 0 HG13 VAL A 538 -4.279 -9.816 5.604 1.00 0.44 H new ATOM 0 HG21 VAL A 538 -5.714 -6.965 5.228 1.00 0.44 H new ATOM 0 HG22 VAL A 538 -4.001 -7.137 4.775 1.00 0.44 H new ATOM 0 HG23 VAL A 538 -5.193 -6.605 3.565 1.00 0.44 H new ATOM 1698 N ALA A 539 -3.754 -7.381 1.323 1.00 0.31 N ATOM 1699 CA ALA A 539 -4.049 -6.544 0.166 1.00 0.31 C ATOM 1700 C ALA A 539 -2.744 -6.151 -0.471 1.00 0.31 C ATOM 1701 O ALA A 539 -1.922 -5.387 0.049 1.00 0.31 O ATOM 1702 CB ALA A 539 -5.092 -5.422 0.381 1.00 0.31 C ATOM 0 H ALA A 539 -2.858 -7.197 1.774 1.00 0.31 H new ATOM 0 HA ALA A 539 -4.612 -7.132 -0.559 1.00 0.31 H new ATOM 0 HB1 ALA A 539 -5.227 -4.868 -0.548 1.00 0.31 H new ATOM 0 HB2 ALA A 539 -6.043 -5.862 0.683 1.00 0.31 H new ATOM 0 HB3 ALA A 539 -4.742 -4.744 1.160 1.00 0.31 H new ATOM 1708 N MET A 540 -2.538 -6.786 -1.637 1.00 0.46 N ATOM 1709 CA MET A 540 -1.349 -6.772 -2.455 1.00 0.46 C ATOM 1710 C MET A 540 -1.614 -6.173 -3.819 1.00 0.46 C ATOM 1711 O MET A 540 -2.676 -6.368 -4.413 1.00 0.46 O ATOM 1712 CB MET A 540 -0.826 -8.242 -2.450 1.00 0.46 C ATOM 1713 CG MET A 540 -0.558 -9.047 -3.755 1.00 0.46 C ATOM 1714 SD MET A 540 1.178 -9.486 -4.070 1.00 0.46 S ATOM 1715 CE MET A 540 1.597 -8.022 -5.046 1.00 0.46 C ATOM 0 H MET A 540 -3.268 -7.365 -2.051 1.00 0.46 H new ATOM 0 HA MET A 540 -0.569 -6.118 -2.065 1.00 0.46 H new ATOM 0 HB2 MET A 540 0.110 -8.236 -1.891 1.00 0.46 H new ATOM 0 HB3 MET A 540 -1.541 -8.824 -1.868 1.00 0.46 H new ATOM 0 HG2 MET A 540 -1.145 -9.965 -3.721 1.00 0.46 H new ATOM 0 HG3 MET A 540 -0.925 -8.465 -4.600 1.00 0.46 H new ATOM 0 HE1 MET A 540 2.625 -8.103 -5.400 1.00 0.46 H new ATOM 0 HE2 MET A 540 0.924 -7.949 -5.900 1.00 0.46 H new ATOM 0 HE3 MET A 540 1.495 -7.131 -4.427 1.00 0.46 H new ATOM 1725 N ARG A 541 -0.611 -5.423 -4.349 1.00 0.63 N ATOM 1726 CA ARG A 541 -0.610 -4.824 -5.669 1.00 0.63 C ATOM 1727 C ARG A 541 0.779 -4.907 -6.288 1.00 0.63 C ATOM 1728 O ARG A 541 1.803 -4.812 -5.605 1.00 0.63 O ATOM 1729 CB ARG A 541 -1.195 -3.381 -5.650 1.00 0.63 C ATOM 1730 CG ARG A 541 -0.342 -2.247 -5.041 1.00 0.63 C ATOM 1731 CD ARG A 541 0.538 -1.493 -6.061 1.00 0.63 C ATOM 1732 NE ARG A 541 1.075 -0.251 -5.404 1.00 0.63 N ATOM 1733 CZ ARG A 541 2.001 0.570 -5.992 1.00 0.63 C ATOM 1734 NH1 ARG A 541 2.522 0.276 -7.217 1.00 0.63 N ATOM 1735 NH2 ARG A 541 2.414 1.691 -5.333 1.00 0.63 N ATOM 0 H ARG A 541 0.244 -5.224 -3.830 1.00 0.63 H new ATOM 0 HA ARG A 541 -1.278 -5.396 -6.313 1.00 0.63 H new ATOM 0 HB2 ARG A 541 -1.428 -3.105 -6.678 1.00 0.63 H new ATOM 0 HB3 ARG A 541 -2.139 -3.414 -5.107 1.00 0.63 H new ATOM 0 HG2 ARG A 541 -1.005 -1.532 -4.553 1.00 0.63 H new ATOM 0 HG3 ARG A 541 0.300 -2.667 -4.266 1.00 0.63 H new ATOM 0 HD2 ARG A 541 1.358 -2.128 -6.396 1.00 0.63 H new ATOM 0 HD3 ARG A 541 -0.045 -1.232 -6.944 1.00 0.63 H new ATOM 0 HE ARG A 541 0.733 -0.008 -4.474 1.00 0.63 H new ATOM 0 HH11 ARG A 541 2.223 -0.566 -7.710 1.00 0.63 H new ATOM 0 HH12 ARG A 541 3.211 0.898 -7.641 1.00 0.63 H new ATOM 0 HH21 ARG A 541 2.034 1.911 -4.412 1.00 0.63 H new ATOM 0 HH22 ARG A 541 3.103 2.310 -5.761 1.00 0.63 H new ATOM 1749 N LYS A 542 0.869 -5.089 -7.629 1.00 0.41 N ATOM 1750 CA LYS A 542 2.127 -5.167 -8.338 1.00 0.41 C ATOM 1751 C LYS A 542 1.957 -4.383 -9.620 1.00 0.41 C ATOM 1752 O LYS A 542 0.947 -4.494 -10.323 1.00 0.41 O ATOM 1753 CB LYS A 542 2.530 -6.640 -8.618 1.00 0.41 C ATOM 1754 CG LYS A 542 3.958 -6.876 -9.137 1.00 0.41 C ATOM 1755 CD LYS A 542 4.142 -8.270 -9.763 1.00 0.41 C ATOM 1756 CE LYS A 542 3.910 -9.429 -8.783 1.00 0.41 C ATOM 1757 NZ LYS A 542 4.213 -10.728 -9.425 1.00 0.41 N ATOM 0 H LYS A 542 0.053 -5.184 -8.234 1.00 0.41 H new ATOM 0 HA LYS A 542 2.934 -4.747 -7.738 1.00 0.41 H new ATOM 0 HB2 LYS A 542 2.404 -7.209 -7.697 1.00 0.41 H new ATOM 0 HB3 LYS A 542 1.831 -7.052 -9.345 1.00 0.41 H new ATOM 0 HG2 LYS A 542 4.201 -6.115 -9.878 1.00 0.41 H new ATOM 0 HG3 LYS A 542 4.663 -6.756 -8.315 1.00 0.41 H new ATOM 0 HD2 LYS A 542 3.454 -8.374 -10.602 1.00 0.41 H new ATOM 0 HD3 LYS A 542 5.152 -8.345 -10.167 1.00 0.41 H new ATOM 0 HE2 LYS A 542 4.539 -9.298 -7.902 1.00 0.41 H new ATOM 0 HE3 LYS A 542 2.875 -9.420 -8.440 1.00 0.41 H new ATOM 0 HZ1 LYS A 542 4.050 -11.498 -8.745 1.00 0.41 H new ATOM 0 HZ2 LYS A 542 3.596 -10.859 -10.252 1.00 0.41 H new ATOM 0 HZ3 LYS A 542 5.207 -10.741 -9.730 1.00 0.41 H new ATOM 1771 N LEU A 543 2.994 -3.579 -9.950 1.00 0.31 N ATOM 1772 CA LEU A 543 3.092 -2.766 -11.158 1.00 0.31 C ATOM 1773 C LEU A 543 4.370 -3.276 -11.807 1.00 0.31 C ATOM 1774 O LEU A 543 5.415 -3.335 -11.149 1.00 0.31 O ATOM 1775 CB LEU A 543 3.153 -1.262 -10.757 1.00 0.31 C ATOM 1776 CG LEU A 543 2.133 -0.366 -11.494 1.00 0.31 C ATOM 1777 CD1 LEU A 543 1.197 0.400 -10.540 1.00 0.31 C ATOM 1778 CD2 LEU A 543 2.845 0.585 -12.463 1.00 0.31 C ATOM 0 H LEU A 543 3.813 -3.484 -9.349 1.00 0.31 H new ATOM 0 HA LEU A 543 2.247 -2.842 -11.843 1.00 0.31 H new ATOM 0 HB2 LEU A 543 2.985 -1.177 -9.683 1.00 0.31 H new ATOM 0 HB3 LEU A 543 4.157 -0.886 -10.953 1.00 0.31 H new ATOM 0 HG LEU A 543 1.491 -1.033 -12.070 1.00 0.31 H new ATOM 0 HD11 LEU A 543 0.506 1.010 -11.121 1.00 0.31 H new ATOM 0 HD12 LEU A 543 0.634 -0.310 -9.935 1.00 0.31 H new ATOM 0 HD13 LEU A 543 1.789 1.043 -9.888 1.00 0.31 H new ATOM 0 HD21 LEU A 543 2.107 1.206 -12.971 1.00 0.31 H new ATOM 0 HD22 LEU A 543 3.535 1.221 -11.908 1.00 0.31 H new ATOM 0 HD23 LEU A 543 3.400 0.005 -13.200 1.00 0.31 H new