USER MOD reduce.3.24.130724 H: found=0, std=0, add=743, rem=0, adj=16 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= 1.52 K(o=1.9,f=-11!) USER MOD Set 1.2: A 534 THR OG1 : rot 128:sc= 0.422 USER MOD Set 2.1: A 463 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 488 THR OG1 : rot 180:sc= 0 USER MOD Single : A 436 THR OG1 : rot -96:sc= -1.68 USER MOD Single : A 437 SER OG : rot -25:sc= 0.219 USER MOD Single : A 456 ASN : amide:sc= -1.43 K(o=-1.4,f=-4.5!) USER MOD Single : A 457 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 458 SER OG : rot 180:sc= 0.72 USER MOD Single : A 459 ASN : amide:sc= 0.0419 X(o=0.042,f=-0.07) USER MOD Single : A 462 GLN : amide:sc= -5.16! C(o=-5.2!,f=-6!) USER MOD Single : A 464 MET CE :methyl 161:sc= -1.58! (180deg=-2.96) USER MOD Single : A 466 ASN : amide:sc= -0.115 X(o=-0.11,f=0) USER MOD Single : A 468 GLN : amide:sc= 0 X(o=0,f=-0.0029) USER MOD Single : A 470 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 472 GLN : amide:sc= -0.0985 K(o=-0.099,f=-2.2!) USER MOD Single : A 480 THR OG1 : rot 13:sc= 0.794 USER MOD Single : A 481 TYR OH : rot 96:sc= 1.16 USER MOD Single : A 486 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 490 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 493 GLN :FLIP amide:sc= -5.93! C(o=-6.9!,f=-5.9!) 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= -0.435 X(o=-0.44,f=-0.15) USER MOD Single : A 507 SER OG : rot 24:sc= 0.867 USER MOD Single : A 510 THR OG1 : rot 19:sc= 1.18 USER MOD Single : A 515 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 517 GLN : amide:sc= -0.102 K(o=-0.1,f=-1.4!) USER MOD Single : A 528 THR OG1 : rot -169:sc= 1.84 USER MOD Single : A 533 SER OG : rot 180:sc= 0.0207 USER MOD Single : A 540 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 542 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 88 N ALA A 434 -3.092 -6.277 -9.136 1.00 0.55 N ATOM 89 CA ALA A 434 -3.309 -6.385 -7.717 1.00 0.55 C ATOM 90 C ALA A 434 -4.219 -7.558 -7.404 1.00 0.55 C ATOM 91 O ALA A 434 -4.985 -8.004 -8.262 1.00 0.55 O ATOM 92 CB ALA A 434 -3.696 -5.034 -7.117 1.00 0.55 C ATOM 0 HA ALA A 434 -2.379 -6.631 -7.205 1.00 0.55 H new ATOM 0 HB1 ALA A 434 -3.854 -5.144 -6.044 1.00 0.55 H new ATOM 0 HB2 ALA A 434 -2.896 -4.315 -7.294 1.00 0.55 H new ATOM 0 HB3 ALA A 434 -4.614 -4.678 -7.584 1.00 0.55 H new ATOM 98 N ARG A 435 -4.142 -8.063 -6.145 1.00 0.93 N ATOM 99 CA ARG A 435 -4.924 -9.145 -5.561 1.00 0.93 C ATOM 100 C ARG A 435 -5.049 -8.857 -4.090 1.00 0.93 C ATOM 101 O ARG A 435 -4.182 -8.275 -3.453 1.00 0.93 O ATOM 102 CB ARG A 435 -4.248 -10.538 -5.733 1.00 0.93 C ATOM 103 CG ARG A 435 -4.359 -11.191 -7.129 1.00 0.93 C ATOM 104 CD ARG A 435 -5.739 -11.796 -7.457 1.00 0.93 C ATOM 105 NE ARG A 435 -6.724 -10.696 -7.755 1.00 0.93 N ATOM 106 CZ ARG A 435 -8.076 -10.804 -7.560 1.00 0.93 C ATOM 107 NH1 ARG A 435 -8.633 -11.960 -7.099 1.00 0.93 N ATOM 108 NH2 ARG A 435 -8.876 -9.731 -7.830 1.00 0.93 N ATOM 0 H ARG A 435 -3.475 -7.683 -5.473 1.00 0.93 H new ATOM 0 HA ARG A 435 -5.888 -9.188 -6.068 1.00 0.93 H new ATOM 0 HB2 ARG A 435 -3.191 -10.437 -5.487 1.00 0.93 H new ATOM 0 HB3 ARG A 435 -4.682 -11.220 -5.002 1.00 0.93 H new ATOM 0 HG2 ARG A 435 -4.118 -10.442 -7.884 1.00 0.93 H new ATOM 0 HG3 ARG A 435 -3.607 -11.976 -7.207 1.00 0.93 H new ATOM 0 HD2 ARG A 435 -5.658 -12.465 -8.314 1.00 0.93 H new ATOM 0 HD3 ARG A 435 -6.092 -12.394 -6.617 1.00 0.93 H new ATOM 0 HE ARG A 435 -6.362 -9.817 -8.125 1.00 0.93 H new ATOM 0 HH11 ARG A 435 -8.041 -12.765 -6.893 1.00 0.93 H new ATOM 0 HH12 ARG A 435 -9.642 -12.020 -6.960 1.00 0.93 H new ATOM 0 HH21 ARG A 435 -8.466 -8.862 -8.173 1.00 0.93 H new ATOM 0 HH22 ARG A 435 -9.884 -9.798 -7.689 1.00 0.93 H new ATOM 122 N THR A 436 -6.214 -9.194 -3.512 1.00 0.95 N ATOM 123 CA THR A 436 -6.568 -8.768 -2.170 1.00 0.95 C ATOM 124 C THR A 436 -7.389 -9.793 -1.411 1.00 0.95 C ATOM 125 O THR A 436 -7.933 -10.707 -2.028 1.00 0.95 O ATOM 126 CB THR A 436 -7.120 -7.381 -2.222 1.00 0.95 C ATOM 127 OG1 THR A 436 -7.372 -6.862 -0.940 1.00 0.95 O ATOM 128 CG2 THR A 436 -8.372 -7.406 -3.064 1.00 0.95 C ATOM 0 H THR A 436 -6.925 -9.766 -3.968 1.00 0.95 H new ATOM 0 HA THR A 436 -5.671 -8.713 -1.553 1.00 0.95 H new ATOM 0 HB THR A 436 -6.382 -6.716 -2.671 1.00 0.95 H new ATOM 0 HG1 THR A 436 -8.317 -6.992 -0.715 1.00 0.95 H new ATOM 0 HG21 THR A 436 -8.795 -6.403 -3.117 1.00 0.95 H new ATOM 0 HG22 THR A 436 -8.128 -7.751 -4.069 1.00 0.95 H new ATOM 0 HG23 THR A 436 -9.099 -8.083 -2.615 1.00 0.95 H new ATOM 136 N SER A 437 -7.530 -9.628 -0.056 1.00 0.67 N ATOM 137 CA SER A 437 -8.377 -10.537 0.739 1.00 0.67 C ATOM 138 C SER A 437 -9.901 -10.304 0.839 1.00 0.67 C ATOM 139 O SER A 437 -10.580 -11.310 1.015 1.00 0.67 O ATOM 140 CB SER A 437 -7.815 -10.831 2.151 1.00 0.67 C ATOM 141 OG SER A 437 -8.307 -12.046 2.720 1.00 0.67 O ATOM 0 H SER A 437 -7.075 -8.890 0.482 1.00 0.67 H new ATOM 0 HA SER A 437 -8.303 -11.403 0.082 1.00 0.67 H new ATOM 0 HB2 SER A 437 -6.727 -10.879 2.098 1.00 0.67 H new ATOM 0 HB3 SER A 437 -8.066 -10.002 2.813 1.00 0.67 H new ATOM 0 HG SER A 437 -9.177 -12.263 2.325 1.00 0.67 H new ATOM 147 N GLY A 438 -10.514 -9.079 0.805 1.00 0.59 N ATOM 148 CA GLY A 438 -11.967 -8.996 1.029 1.00 0.59 C ATOM 149 C GLY A 438 -12.183 -7.856 1.943 1.00 0.59 C ATOM 150 O GLY A 438 -12.421 -6.737 1.504 1.00 0.59 O ATOM 0 H GLY A 438 -10.043 -8.190 0.634 1.00 0.59 H new ATOM 0 HA2 GLY A 438 -12.497 -8.846 0.089 1.00 0.59 H new ATOM 0 HA3 GLY A 438 -12.346 -9.920 1.465 1.00 0.59 H new ATOM 154 N ARG A 439 -11.981 -8.047 3.272 1.00 0.60 N ATOM 155 CA ARG A 439 -11.980 -6.986 4.278 1.00 0.60 C ATOM 156 C ARG A 439 -10.784 -5.993 4.238 1.00 0.60 C ATOM 157 O ARG A 439 -10.520 -5.242 5.174 1.00 0.60 O ATOM 158 CB ARG A 439 -12.432 -7.461 5.683 1.00 0.60 C ATOM 159 CG ARG A 439 -11.533 -8.473 6.408 1.00 0.60 C ATOM 160 CD ARG A 439 -11.578 -9.916 5.870 1.00 0.60 C ATOM 161 NE ARG A 439 -10.719 -10.801 6.738 1.00 0.60 N ATOM 162 CZ ARG A 439 -9.358 -10.900 6.604 1.00 0.60 C ATOM 163 NH1 ARG A 439 -8.698 -10.200 5.636 1.00 0.60 N ATOM 164 NH2 ARG A 439 -8.653 -11.707 7.451 1.00 0.60 N ATOM 0 H ARG A 439 -11.811 -8.971 3.670 1.00 0.60 H new ATOM 0 HA ARG A 439 -12.783 -6.324 3.954 1.00 0.60 H new ATOM 0 HB2 ARG A 439 -12.532 -6.582 6.320 1.00 0.60 H new ATOM 0 HB3 ARG A 439 -13.425 -7.900 5.587 1.00 0.60 H new ATOM 0 HG2 ARG A 439 -10.504 -8.118 6.357 1.00 0.60 H new ATOM 0 HG3 ARG A 439 -11.812 -8.489 7.461 1.00 0.60 H new ATOM 0 HD2 ARG A 439 -12.605 -10.281 5.863 1.00 0.60 H new ATOM 0 HD3 ARG A 439 -11.223 -9.943 4.840 1.00 0.60 H new ATOM 0 HE ARG A 439 -11.175 -11.355 7.463 1.00 0.60 H new ATOM 0 HH11 ARG A 439 -9.217 -9.594 5.001 1.00 0.60 H new ATOM 0 HH12 ARG A 439 -7.685 -10.283 5.548 1.00 0.60 H new ATOM 0 HH21 ARG A 439 -9.139 -12.232 8.178 1.00 0.60 H new ATOM 0 HH22 ARG A 439 -7.640 -11.785 7.356 1.00 0.60 H new ATOM 178 N VAL A 440 -10.087 -5.953 3.066 1.00 0.36 N ATOM 179 CA VAL A 440 -9.187 -4.957 2.534 1.00 0.36 C ATOM 180 C VAL A 440 -9.343 -5.165 1.038 1.00 0.36 C ATOM 181 O VAL A 440 -9.487 -6.307 0.587 1.00 0.36 O ATOM 182 CB VAL A 440 -7.716 -4.963 2.938 1.00 0.36 C ATOM 183 CG1 VAL A 440 -7.038 -3.686 2.424 1.00 0.36 C ATOM 184 CG2 VAL A 440 -7.645 -4.929 4.474 1.00 0.36 C ATOM 0 H VAL A 440 -10.174 -6.729 2.410 1.00 0.36 H new ATOM 0 HA VAL A 440 -9.465 -3.987 2.945 1.00 0.36 H new ATOM 0 HB VAL A 440 -7.226 -5.846 2.528 1.00 0.36 H new ATOM 0 HG11 VAL A 440 -5.987 -3.691 2.713 1.00 0.36 H new ATOM 0 HG12 VAL A 440 -7.116 -3.645 1.338 1.00 0.36 H new ATOM 0 HG13 VAL A 440 -7.529 -2.814 2.856 1.00 0.36 H new ATOM 0 HG21 VAL A 440 -6.602 -4.933 4.790 1.00 0.36 H new ATOM 0 HG22 VAL A 440 -8.132 -4.026 4.841 1.00 0.36 H new ATOM 0 HG23 VAL A 440 -8.151 -5.805 4.881 1.00 0.36 H new ATOM 194 N ALA A 441 -9.218 -4.091 0.237 1.00 0.28 N ATOM 195 CA ALA A 441 -9.064 -4.155 -1.201 1.00 0.28 C ATOM 196 C ALA A 441 -8.077 -3.124 -1.595 1.00 0.28 C ATOM 197 O ALA A 441 -8.038 -2.049 -1.008 1.00 0.28 O ATOM 198 CB ALA A 441 -10.355 -3.875 -2.014 1.00 0.28 C ATOM 0 H ALA A 441 -9.223 -3.136 0.596 1.00 0.28 H new ATOM 0 HA ALA A 441 -8.762 -5.178 -1.427 1.00 0.28 H new ATOM 0 HB1 ALA A 441 -10.137 -3.946 -3.080 1.00 0.28 H new ATOM 0 HB2 ALA A 441 -11.117 -4.608 -1.750 1.00 0.28 H new ATOM 0 HB3 ALA A 441 -10.719 -2.874 -1.785 1.00 0.28 H new ATOM 204 N VAL A 442 -7.310 -3.394 -2.688 1.00 0.46 N ATOM 205 CA VAL A 442 -6.466 -2.409 -3.336 1.00 0.46 C ATOM 206 C VAL A 442 -7.369 -1.774 -4.382 1.00 0.46 C ATOM 207 O VAL A 442 -7.636 -2.326 -5.445 1.00 0.46 O ATOM 208 CB VAL A 442 -5.161 -2.968 -3.855 1.00 0.46 C ATOM 209 CG1 VAL A 442 -4.352 -1.799 -4.386 1.00 0.46 C ATOM 210 CG2 VAL A 442 -4.335 -3.550 -2.694 1.00 0.46 C ATOM 0 H VAL A 442 -7.276 -4.313 -3.129 1.00 0.46 H new ATOM 0 HA VAL A 442 -6.094 -1.657 -2.640 1.00 0.46 H new ATOM 0 HB VAL A 442 -5.368 -3.732 -4.605 1.00 0.46 H new ATOM 0 HG11 VAL A 442 -3.399 -2.161 -4.771 1.00 0.46 H new ATOM 0 HG12 VAL A 442 -4.904 -1.308 -5.187 1.00 0.46 H new ATOM 0 HG13 VAL A 442 -4.171 -1.087 -3.581 1.00 0.46 H new ATOM 0 HG21 VAL A 442 -3.397 -3.950 -3.079 1.00 0.46 H new ATOM 0 HG22 VAL A 442 -4.124 -2.765 -1.968 1.00 0.46 H new ATOM 0 HG23 VAL A 442 -4.898 -4.348 -2.211 1.00 0.46 H new ATOM 220 N GLU A 443 -7.952 -0.609 -3.987 1.00 0.54 N ATOM 221 CA GLU A 443 -9.038 0.097 -4.641 1.00 0.54 C ATOM 222 C GLU A 443 -8.603 0.749 -5.954 1.00 0.54 C ATOM 223 O GLU A 443 -9.162 0.509 -7.024 1.00 0.54 O ATOM 224 CB GLU A 443 -9.587 1.170 -3.653 1.00 0.54 C ATOM 225 CG GLU A 443 -10.920 1.809 -4.105 1.00 0.54 C ATOM 226 CD GLU A 443 -11.333 3.006 -3.241 1.00 0.54 C ATOM 227 OE1 GLU A 443 -10.605 3.355 -2.276 1.00 0.54 O ATOM 228 OE2 GLU A 443 -12.403 3.595 -3.553 1.00 0.54 O ATOM 0 H GLU A 443 -7.640 -0.124 -3.146 1.00 0.54 H new ATOM 0 HA GLU A 443 -9.816 -0.621 -4.899 1.00 0.54 H new ATOM 0 HB2 GLU A 443 -9.728 0.711 -2.674 1.00 0.54 H new ATOM 0 HB3 GLU A 443 -8.841 1.955 -3.532 1.00 0.54 H new ATOM 0 HG2 GLU A 443 -10.829 2.131 -5.142 1.00 0.54 H new ATOM 0 HG3 GLU A 443 -11.707 1.056 -4.073 1.00 0.54 H new ATOM 235 N GLU A 444 -7.531 1.574 -5.846 1.00 0.53 N ATOM 236 CA GLU A 444 -6.861 2.211 -6.951 1.00 0.53 C ATOM 237 C GLU A 444 -5.393 2.279 -6.691 1.00 0.53 C ATOM 238 O GLU A 444 -4.914 3.152 -5.989 1.00 0.53 O ATOM 239 CB GLU A 444 -7.399 3.625 -7.356 1.00 0.53 C ATOM 240 CG GLU A 444 -8.876 3.677 -7.794 1.00 0.53 C ATOM 241 CD GLU A 444 -9.244 5.109 -8.182 1.00 0.53 C ATOM 242 OE1 GLU A 444 -8.655 5.627 -9.168 1.00 0.53 O ATOM 243 OE2 GLU A 444 -10.119 5.703 -7.496 1.00 0.53 O ATOM 0 H GLU A 444 -7.114 1.806 -4.945 1.00 0.53 H new ATOM 0 HA GLU A 444 -7.081 1.575 -7.808 1.00 0.53 H new ATOM 0 HB2 GLU A 444 -7.266 4.300 -6.511 1.00 0.53 H new ATOM 0 HB3 GLU A 444 -6.784 4.008 -8.170 1.00 0.53 H new ATOM 0 HG2 GLU A 444 -9.040 3.007 -8.638 1.00 0.53 H new ATOM 0 HG3 GLU A 444 -9.519 3.332 -6.984 1.00 0.53 H new ATOM 250 N VAL A 445 -4.572 1.413 -7.345 1.00 0.50 N ATOM 251 CA VAL A 445 -3.124 1.560 -7.322 1.00 0.50 C ATOM 252 C VAL A 445 -2.823 2.311 -8.622 1.00 0.50 C ATOM 253 O VAL A 445 -3.124 1.866 -9.735 1.00 0.50 O ATOM 254 CB VAL A 445 -2.363 0.266 -7.082 1.00 0.50 C ATOM 255 CG1 VAL A 445 -2.206 0.190 -5.547 1.00 0.50 C ATOM 256 CG2 VAL A 445 -3.081 -0.955 -7.698 1.00 0.50 C ATOM 0 H VAL A 445 -4.904 0.615 -7.887 1.00 0.50 H new ATOM 0 HA VAL A 445 -2.762 2.122 -6.461 1.00 0.50 H new ATOM 0 HB VAL A 445 -1.390 0.253 -7.574 1.00 0.50 H new ATOM 0 HG11 VAL A 445 -1.665 -0.718 -5.281 1.00 0.50 H new ATOM 0 HG12 VAL A 445 -1.651 1.059 -5.195 1.00 0.50 H new ATOM 0 HG13 VAL A 445 -3.191 0.175 -5.081 1.00 0.50 H new ATOM 0 HG21 VAL A 445 -2.500 -1.856 -7.501 1.00 0.50 H new ATOM 0 HG22 VAL A 445 -4.071 -1.057 -7.254 1.00 0.50 H new ATOM 0 HG23 VAL A 445 -3.179 -0.815 -8.774 1.00 0.50 H new ATOM 266 N ASP A 446 -2.294 3.543 -8.412 1.00 0.41 N ATOM 267 CA ASP A 446 -2.125 4.643 -9.322 1.00 0.41 C ATOM 268 C ASP A 446 -0.675 4.744 -9.707 1.00 0.41 C ATOM 269 O ASP A 446 0.160 5.170 -8.905 1.00 0.41 O ATOM 270 CB ASP A 446 -2.592 5.914 -8.542 1.00 0.41 C ATOM 271 CG ASP A 446 -4.113 6.059 -8.656 1.00 0.41 C ATOM 272 OD1 ASP A 446 -4.607 6.241 -9.800 1.00 0.41 O ATOM 273 OD2 ASP A 446 -4.796 5.994 -7.598 1.00 0.41 O ATOM 0 H ASP A 446 -1.944 3.790 -7.486 1.00 0.41 H new ATOM 0 HA ASP A 446 -2.699 4.522 -10.240 1.00 0.41 H new ATOM 0 HB2 ASP A 446 -2.302 5.837 -7.494 1.00 0.41 H new ATOM 0 HB3 ASP A 446 -2.101 6.800 -8.944 1.00 0.41 H new ATOM 337 N PHE A 451 1.290 6.160 -5.955 1.00 0.31 N ATOM 338 CA PHE A 451 0.612 6.089 -4.658 1.00 0.31 C ATOM 339 C PHE A 451 -0.410 4.974 -4.635 1.00 0.31 C ATOM 340 O PHE A 451 -0.936 4.556 -5.669 1.00 0.31 O ATOM 341 CB PHE A 451 0.135 7.409 -3.978 1.00 0.31 C ATOM 342 CG PHE A 451 -0.282 8.458 -4.952 1.00 0.31 C ATOM 343 CD1 PHE A 451 -1.571 8.508 -5.502 1.00 0.31 C ATOM 344 CD2 PHE A 451 0.653 9.441 -5.296 1.00 0.31 C ATOM 345 CE1 PHE A 451 -1.921 9.581 -6.338 1.00 0.31 C ATOM 346 CE2 PHE A 451 0.332 10.468 -6.168 1.00 0.31 C ATOM 347 CZ PHE A 451 -0.966 10.557 -6.664 1.00 0.31 C ATOM 0 HA PHE A 451 1.426 5.841 -3.977 1.00 0.31 H new ATOM 0 HB2 PHE A 451 -0.701 7.186 -3.315 1.00 0.31 H new ATOM 0 HB3 PHE A 451 0.940 7.800 -3.356 1.00 0.31 H new ATOM 0 HD1 PHE A 451 -2.287 7.729 -5.285 1.00 0.31 H new ATOM 0 HD2 PHE A 451 1.646 9.398 -4.873 1.00 0.31 H new ATOM 0 HE1 PHE A 451 -2.925 9.655 -6.730 1.00 0.31 H new ATOM 0 HE2 PHE A 451 1.079 11.191 -6.460 1.00 0.31 H new ATOM 0 HZ PHE A 451 -1.240 11.383 -7.304 1.00 0.31 H new ATOM 357 N VAL A 452 -0.697 4.442 -3.409 1.00 0.26 N ATOM 358 CA VAL A 452 -1.608 3.331 -3.179 1.00 0.26 C ATOM 359 C VAL A 452 -2.936 3.776 -2.582 1.00 0.26 C ATOM 360 O VAL A 452 -2.986 4.113 -1.388 1.00 0.26 O ATOM 361 CB VAL A 452 -0.942 2.372 -2.185 1.00 0.26 C ATOM 362 CG1 VAL A 452 -1.804 1.180 -1.769 1.00 0.26 C ATOM 363 CG2 VAL A 452 0.299 1.727 -2.795 1.00 0.26 C ATOM 0 H VAL A 452 -0.280 4.798 -2.549 1.00 0.26 H new ATOM 0 HA VAL A 452 -1.813 2.862 -4.141 1.00 0.26 H new ATOM 0 HB VAL A 452 -0.737 3.011 -1.326 1.00 0.26 H new ATOM 0 HG11 VAL A 452 -1.250 0.558 -1.065 1.00 0.26 H new ATOM 0 HG12 VAL A 452 -2.717 1.539 -1.295 1.00 0.26 H new ATOM 0 HG13 VAL A 452 -2.060 0.591 -2.650 1.00 0.26 H new ATOM 0 HG21 VAL A 452 0.752 1.052 -2.069 1.00 0.26 H new ATOM 0 HG22 VAL A 452 0.017 1.166 -3.686 1.00 0.26 H new ATOM 0 HG23 VAL A 452 1.016 2.502 -3.066 1.00 0.26 H new ATOM 373 N ARG A 453 -4.075 3.704 -3.358 1.00 0.58 N ATOM 374 CA ARG A 453 -5.420 3.922 -2.773 1.00 0.58 C ATOM 375 C ARG A 453 -5.990 2.581 -2.280 1.00 0.58 C ATOM 376 O ARG A 453 -6.157 1.609 -3.034 1.00 0.58 O ATOM 377 CB ARG A 453 -6.418 4.609 -3.749 1.00 0.58 C ATOM 378 CG ARG A 453 -7.802 4.998 -3.185 1.00 0.58 C ATOM 379 CD ARG A 453 -7.787 6.100 -2.120 1.00 0.58 C ATOM 380 NE ARG A 453 -7.157 7.348 -2.685 1.00 0.58 N ATOM 381 CZ ARG A 453 -7.848 8.328 -3.347 1.00 0.58 C ATOM 382 NH1 ARG A 453 -9.196 8.236 -3.539 1.00 0.58 N ATOM 383 NH2 ARG A 453 -7.173 9.417 -3.821 1.00 0.58 N ATOM 0 H ARG A 453 -4.075 3.502 -4.358 1.00 0.58 H new ATOM 0 HA ARG A 453 -5.295 4.610 -1.937 1.00 0.58 H new ATOM 0 HB2 ARG A 453 -5.945 5.512 -4.136 1.00 0.58 H new ATOM 0 HB3 ARG A 453 -6.574 3.942 -4.597 1.00 0.58 H new ATOM 0 HG2 ARG A 453 -8.435 5.322 -4.011 1.00 0.58 H new ATOM 0 HG3 ARG A 453 -8.265 4.109 -2.758 1.00 0.58 H new ATOM 0 HD2 ARG A 453 -8.804 6.313 -1.789 1.00 0.58 H new ATOM 0 HD3 ARG A 453 -7.231 5.765 -1.245 1.00 0.58 H new ATOM 0 HE ARG A 453 -6.151 7.470 -2.567 1.00 0.58 H new ATOM 0 HH11 ARG A 453 -9.707 7.427 -3.187 1.00 0.58 H new ATOM 0 HH12 ARG A 453 -9.692 8.977 -4.035 1.00 0.58 H new ATOM 0 HH21 ARG A 453 -6.166 9.494 -3.680 1.00 0.58 H new ATOM 0 HH22 ARG A 453 -7.676 10.153 -4.316 1.00 0.58 H new ATOM 397 N LEU A 454 -6.277 2.496 -0.952 1.00 0.66 N ATOM 398 CA LEU A 454 -6.672 1.342 -0.227 1.00 0.66 C ATOM 399 C LEU A 454 -8.099 1.603 0.328 1.00 0.66 C ATOM 400 O LEU A 454 -8.586 2.728 0.425 1.00 0.66 O ATOM 401 CB LEU A 454 -5.453 1.168 0.792 1.00 0.66 C ATOM 402 CG LEU A 454 -4.602 -0.150 0.700 1.00 0.66 C ATOM 403 CD1 LEU A 454 -3.899 -0.683 1.962 1.00 0.66 C ATOM 404 CD2 LEU A 454 -5.426 -1.241 0.059 1.00 0.66 C ATOM 0 H LEU A 454 -6.222 3.318 -0.350 1.00 0.66 H new ATOM 0 HA LEU A 454 -6.805 0.396 -0.752 1.00 0.66 H new ATOM 0 HB2 LEU A 454 -4.778 2.013 0.654 1.00 0.66 H new ATOM 0 HB3 LEU A 454 -5.850 1.240 1.804 1.00 0.66 H new ATOM 0 HG LEU A 454 -3.754 0.159 0.090 1.00 0.66 H new ATOM 0 HD11 LEU A 454 -3.358 -1.598 1.718 1.00 0.66 H new ATOM 0 HD12 LEU A 454 -3.198 0.066 2.332 1.00 0.66 H new ATOM 0 HD13 LEU A 454 -4.642 -0.895 2.731 1.00 0.66 H new ATOM 0 HD21 LEU A 454 -4.834 -2.154 -0.004 1.00 0.66 H new ATOM 0 HD22 LEU A 454 -6.316 -1.426 0.661 1.00 0.66 H new ATOM 0 HD23 LEU A 454 -5.723 -0.931 -0.943 1.00 0.66 H new ATOM 416 N ARG A 455 -8.864 0.552 0.670 1.00 0.51 N ATOM 417 CA ARG A 455 -10.238 0.584 1.161 1.00 0.51 C ATOM 418 C ARG A 455 -10.458 -0.750 1.837 1.00 0.51 C ATOM 419 O ARG A 455 -9.652 -1.652 1.641 1.00 0.51 O ATOM 420 CB ARG A 455 -11.247 0.757 -0.016 1.00 0.51 C ATOM 421 CG ARG A 455 -12.724 1.037 0.337 1.00 0.51 C ATOM 422 CD ARG A 455 -13.597 1.429 -0.868 1.00 0.51 C ATOM 423 NE ARG A 455 -13.512 0.374 -1.938 1.00 0.51 N ATOM 424 CZ ARG A 455 -14.327 -0.725 -2.005 1.00 0.51 C ATOM 425 NH1 ARG A 455 -15.315 -0.930 -1.088 1.00 0.51 N ATOM 426 NH2 ARG A 455 -14.141 -1.628 -3.013 1.00 0.51 N ATOM 0 H ARG A 455 -8.508 -0.402 0.604 1.00 0.51 H new ATOM 0 HA ARG A 455 -10.395 1.422 1.841 1.00 0.51 H new ATOM 0 HB2 ARG A 455 -10.892 1.574 -0.644 1.00 0.51 H new ATOM 0 HB3 ARG A 455 -11.213 -0.148 -0.622 1.00 0.51 H new ATOM 0 HG2 ARG A 455 -13.149 0.149 0.805 1.00 0.51 H new ATOM 0 HG3 ARG A 455 -12.764 1.837 1.076 1.00 0.51 H new ATOM 0 HD2 ARG A 455 -14.632 1.553 -0.551 1.00 0.51 H new ATOM 0 HD3 ARG A 455 -13.269 2.389 -1.267 1.00 0.51 H new ATOM 0 HE ARG A 455 -12.801 0.485 -2.661 1.00 0.51 H new ATOM 0 HH11 ARG A 455 -15.458 -0.258 -0.334 1.00 0.51 H new ATOM 0 HH12 ARG A 455 -15.911 -1.755 -1.156 1.00 0.51 H new ATOM 0 HH21 ARG A 455 -13.404 -1.479 -3.702 1.00 0.51 H new ATOM 0 HH22 ARG A 455 -14.739 -2.452 -3.077 1.00 0.51 H new ATOM 440 N ASN A 456 -11.538 -0.944 2.622 1.00 0.49 N ATOM 441 CA ASN A 456 -11.971 -2.265 3.114 1.00 0.49 C ATOM 442 C ASN A 456 -13.106 -2.679 2.156 1.00 0.49 C ATOM 443 O ASN A 456 -14.031 -1.896 1.979 1.00 0.49 O ATOM 444 CB ASN A 456 -12.376 -2.154 4.597 1.00 0.49 C ATOM 445 CG ASN A 456 -12.886 -3.345 5.418 1.00 0.49 C ATOM 446 OD1 ASN A 456 -13.330 -4.382 4.961 1.00 0.49 O ATOM 447 ND2 ASN A 456 -12.761 -3.178 6.758 1.00 0.49 N ATOM 0 H ASN A 456 -12.138 -0.180 2.934 1.00 0.49 H new ATOM 0 HA ASN A 456 -11.197 -3.032 3.106 1.00 0.49 H new ATOM 0 HB2 ASN A 456 -11.507 -1.764 5.126 1.00 0.49 H new ATOM 0 HB3 ASN A 456 -13.151 -1.389 4.649 1.00 0.49 H new ATOM 0 HD21 ASN A 456 -13.040 -3.925 7.393 1.00 0.49 H new ATOM 0 HD22 ASN A 456 -12.388 -2.305 7.131 1.00 0.49 H new ATOM 454 N LYS A 457 -13.083 -3.841 1.427 1.00 0.45 N ATOM 455 CA LYS A 457 -14.145 -4.141 0.441 1.00 0.45 C ATOM 456 C LYS A 457 -15.236 -4.992 1.007 1.00 0.45 C ATOM 457 O LYS A 457 -16.413 -4.785 0.711 1.00 0.45 O ATOM 458 CB LYS A 457 -13.553 -4.709 -0.874 1.00 0.45 C ATOM 459 CG LYS A 457 -14.496 -5.001 -2.062 1.00 0.45 C ATOM 460 CD LYS A 457 -15.021 -6.446 -2.130 1.00 0.45 C ATOM 461 CE LYS A 457 -15.777 -6.734 -3.435 1.00 0.45 C ATOM 462 NZ LYS A 457 -16.275 -8.129 -3.464 1.00 0.45 N ATOM 0 H LYS A 457 -12.360 -4.556 1.507 1.00 0.45 H new ATOM 0 HA LYS A 457 -14.622 -3.195 0.187 1.00 0.45 H new ATOM 0 HB2 LYS A 457 -12.795 -4.008 -1.222 1.00 0.45 H new ATOM 0 HB3 LYS A 457 -13.039 -5.638 -0.628 1.00 0.45 H new ATOM 0 HG2 LYS A 457 -15.347 -4.322 -2.007 1.00 0.45 H new ATOM 0 HG3 LYS A 457 -13.969 -4.777 -2.989 1.00 0.45 H new ATOM 0 HD2 LYS A 457 -14.184 -7.138 -2.038 1.00 0.45 H new ATOM 0 HD3 LYS A 457 -15.682 -6.630 -1.283 1.00 0.45 H new ATOM 0 HE2 LYS A 457 -16.614 -6.043 -3.534 1.00 0.45 H new ATOM 0 HE3 LYS A 457 -15.119 -6.561 -4.286 1.00 0.45 H new ATOM 0 HZ1 LYS A 457 -16.782 -8.298 -4.356 1.00 0.45 H new ATOM 0 HZ2 LYS A 457 -15.472 -8.786 -3.392 1.00 0.45 H new ATOM 0 HZ3 LYS A 457 -16.921 -8.284 -2.664 1.00 0.45 H new ATOM 476 N SER A 458 -14.877 -5.871 1.978 1.00 0.34 N ATOM 477 CA SER A 458 -15.927 -6.482 2.833 1.00 0.34 C ATOM 478 C SER A 458 -16.202 -5.576 4.020 1.00 0.34 C ATOM 479 O SER A 458 -15.765 -4.440 4.149 1.00 0.34 O ATOM 480 CB SER A 458 -15.728 -7.933 3.382 1.00 0.34 C ATOM 481 OG SER A 458 -16.888 -8.547 3.965 1.00 0.34 O ATOM 0 H SER A 458 -13.921 -6.161 2.182 1.00 0.34 H new ATOM 0 HA SER A 458 -16.753 -6.584 2.128 1.00 0.34 H new ATOM 0 HB2 SER A 458 -15.378 -8.565 2.566 1.00 0.34 H new ATOM 0 HB3 SER A 458 -14.936 -7.912 4.131 1.00 0.34 H new ATOM 0 HG SER A 458 -16.660 -9.448 4.275 1.00 0.34 H new ATOM 487 N ASN A 459 -17.094 -6.042 4.868 1.00 0.49 N ATOM 488 CA ASN A 459 -17.686 -5.314 5.927 1.00 0.49 C ATOM 489 C ASN A 459 -17.293 -5.744 7.337 1.00 0.49 C ATOM 490 O ASN A 459 -18.132 -5.839 8.231 1.00 0.49 O ATOM 491 CB ASN A 459 -19.186 -5.311 5.617 1.00 0.49 C ATOM 492 CG ASN A 459 -19.835 -6.679 5.547 1.00 0.49 C ATOM 493 OD1 ASN A 459 -19.981 -7.289 4.488 1.00 0.49 O ATOM 494 ND2 ASN A 459 -20.262 -7.137 6.749 1.00 0.49 N ATOM 0 H ASN A 459 -17.434 -7.002 4.817 1.00 0.49 H new ATOM 0 HA ASN A 459 -17.297 -4.296 5.961 1.00 0.49 H new ATOM 0 HB2 ASN A 459 -19.697 -4.723 6.380 1.00 0.49 H new ATOM 0 HB3 ASN A 459 -19.343 -4.803 4.665 1.00 0.49 H new ATOM 0 HD21 ASN A 459 -20.736 -8.038 6.812 1.00 0.49 H new ATOM 0 HD22 ASN A 459 -20.109 -6.581 7.590 1.00 0.49 H new ATOM 501 N GLU A 460 -15.987 -5.958 7.584 1.00 0.74 N ATOM 502 CA GLU A 460 -15.470 -6.283 8.897 1.00 0.74 C ATOM 503 C GLU A 460 -14.444 -5.234 9.246 1.00 0.74 C ATOM 504 O GLU A 460 -13.441 -5.084 8.553 1.00 0.74 O ATOM 505 CB GLU A 460 -14.849 -7.697 8.965 1.00 0.74 C ATOM 506 CG GLU A 460 -15.851 -8.820 8.633 1.00 0.74 C ATOM 507 CD GLU A 460 -15.181 -10.181 8.810 1.00 0.74 C ATOM 508 OE1 GLU A 460 -14.195 -10.457 8.076 1.00 0.74 O ATOM 509 OE2 GLU A 460 -15.648 -10.965 9.680 1.00 0.74 O ATOM 0 H GLU A 460 -15.268 -5.906 6.863 1.00 0.74 H new ATOM 0 HA GLU A 460 -16.292 -6.289 9.613 1.00 0.74 H new ATOM 0 HB2 GLU A 460 -14.010 -7.751 8.271 1.00 0.74 H new ATOM 0 HB3 GLU A 460 -14.447 -7.862 9.965 1.00 0.74 H new ATOM 0 HG2 GLU A 460 -16.722 -8.746 9.284 1.00 0.74 H new ATOM 0 HG3 GLU A 460 -16.208 -8.711 7.609 1.00 0.74 H new ATOM 516 N ASP A 461 -14.670 -4.484 10.362 1.00 0.65 N ATOM 517 CA ASP A 461 -13.823 -3.440 10.966 1.00 0.65 C ATOM 518 C ASP A 461 -12.430 -3.941 11.352 1.00 0.65 C ATOM 519 O ASP A 461 -12.250 -4.667 12.321 1.00 0.65 O ATOM 520 CB ASP A 461 -14.457 -2.782 12.233 1.00 0.65 C ATOM 521 CG ASP A 461 -15.943 -2.472 12.021 1.00 0.65 C ATOM 522 OD1 ASP A 461 -16.260 -1.604 11.169 1.00 0.65 O ATOM 523 OD2 ASP A 461 -16.781 -3.105 12.719 1.00 0.65 O ATOM 0 H ASP A 461 -15.526 -4.614 10.901 1.00 0.65 H new ATOM 0 HA ASP A 461 -13.738 -2.696 10.174 1.00 0.65 H new ATOM 0 HB2 ASP A 461 -14.342 -3.449 13.087 1.00 0.65 H new ATOM 0 HB3 ASP A 461 -13.923 -1.862 12.473 1.00 0.65 H new ATOM 528 N GLN A 462 -11.422 -3.590 10.533 1.00 0.44 N ATOM 529 CA GLN A 462 -10.049 -4.105 10.610 1.00 0.44 C ATOM 530 C GLN A 462 -9.065 -3.183 11.351 1.00 0.44 C ATOM 531 O GLN A 462 -8.915 -2.033 10.965 1.00 0.44 O ATOM 532 CB GLN A 462 -9.677 -4.491 9.146 1.00 0.44 C ATOM 533 CG GLN A 462 -8.419 -5.364 8.888 1.00 0.44 C ATOM 534 CD GLN A 462 -7.111 -4.589 8.687 1.00 0.44 C ATOM 535 OE1 GLN A 462 -6.046 -5.152 8.429 1.00 0.44 O ATOM 536 NE2 GLN A 462 -7.237 -3.243 8.800 1.00 0.44 N ATOM 0 H GLN A 462 -11.548 -2.918 9.776 1.00 0.44 H new ATOM 0 HA GLN A 462 -9.978 -4.985 11.249 1.00 0.44 H new ATOM 0 HB2 GLN A 462 -10.532 -5.013 8.717 1.00 0.44 H new ATOM 0 HB3 GLN A 462 -9.555 -3.565 8.584 1.00 0.44 H new ATOM 0 HG2 GLN A 462 -8.292 -6.046 9.729 1.00 0.44 H new ATOM 0 HG3 GLN A 462 -8.598 -5.977 8.005 1.00 0.44 H new ATOM 0 HE21 GLN A 462 -8.145 -2.832 9.016 1.00 0.44 H new ATOM 0 HE22 GLN A 462 -6.423 -2.642 8.669 1.00 0.44 H new ATOM 545 N SER A 463 -8.333 -3.639 12.412 1.00 0.49 N ATOM 546 CA SER A 463 -7.382 -2.832 13.210 1.00 0.49 C ATOM 547 C SER A 463 -6.068 -2.401 12.558 1.00 0.49 C ATOM 548 O SER A 463 -5.035 -3.050 12.739 1.00 0.49 O ATOM 549 CB SER A 463 -7.009 -3.483 14.566 1.00 0.49 C ATOM 550 OG SER A 463 -8.187 -3.949 15.207 1.00 0.49 O ATOM 0 H SER A 463 -8.396 -4.604 12.737 1.00 0.49 H new ATOM 0 HA SER A 463 -7.985 -1.932 13.329 1.00 0.49 H new ATOM 0 HB2 SER A 463 -6.317 -4.310 14.406 1.00 0.49 H new ATOM 0 HB3 SER A 463 -6.499 -2.759 15.201 1.00 0.49 H new ATOM 0 HG SER A 463 -7.952 -4.362 16.064 1.00 0.49 H new ATOM 556 N MET A 464 -6.048 -1.237 11.830 1.00 0.50 N ATOM 557 CA MET A 464 -4.835 -0.694 11.171 1.00 0.50 C ATOM 558 C MET A 464 -3.787 -0.057 12.069 1.00 0.50 C ATOM 559 O MET A 464 -2.780 0.465 11.606 1.00 0.50 O ATOM 560 CB MET A 464 -4.984 0.234 9.932 1.00 0.50 C ATOM 561 CG MET A 464 -6.147 -0.085 8.999 1.00 0.50 C ATOM 562 SD MET A 464 -6.374 1.061 7.598 1.00 0.50 S ATOM 563 CE MET A 464 -4.829 2.014 7.620 1.00 0.50 C ATOM 0 H MET A 464 -6.877 -0.659 11.691 1.00 0.50 H new ATOM 0 HA MET A 464 -4.499 -1.668 10.814 1.00 0.50 H new ATOM 0 HB2 MET A 464 -5.095 1.260 10.282 1.00 0.50 H new ATOM 0 HB3 MET A 464 -4.059 0.191 9.357 1.00 0.50 H new ATOM 0 HG2 MET A 464 -6.006 -1.091 8.603 1.00 0.50 H new ATOM 0 HG3 MET A 464 -7.066 -0.100 9.585 1.00 0.50 H new ATOM 0 HE1 MET A 464 -4.684 2.494 6.652 1.00 0.50 H new ATOM 0 HE2 MET A 464 -4.882 2.775 8.399 1.00 0.50 H new ATOM 0 HE3 MET A 464 -3.992 1.346 7.822 1.00 0.50 H new ATOM 573 N GLY A 465 -3.922 -0.180 13.403 1.00 0.39 N ATOM 574 CA GLY A 465 -2.829 0.108 14.316 1.00 0.39 C ATOM 575 C GLY A 465 -1.782 -0.989 14.373 1.00 0.39 C ATOM 576 O GLY A 465 -0.648 -0.779 14.765 1.00 0.39 O ATOM 0 H GLY A 465 -4.783 -0.478 13.861 1.00 0.39 H new ATOM 0 HA2 GLY A 465 -2.351 1.040 14.015 1.00 0.39 H new ATOM 0 HA3 GLY A 465 -3.233 0.266 15.316 1.00 0.39 H new ATOM 580 N ASN A 466 -2.146 -2.222 13.979 1.00 0.33 N ATOM 581 CA ASN A 466 -1.300 -3.409 14.043 1.00 0.33 C ATOM 582 C ASN A 466 -0.715 -3.824 12.684 1.00 0.33 C ATOM 583 O ASN A 466 -0.199 -4.928 12.522 1.00 0.33 O ATOM 584 CB ASN A 466 -2.047 -4.530 14.818 1.00 0.33 C ATOM 585 CG ASN A 466 -2.133 -4.135 16.303 1.00 0.33 C ATOM 586 OD1 ASN A 466 -1.383 -4.639 17.137 1.00 0.33 O ATOM 587 ND2 ASN A 466 -3.058 -3.204 16.653 1.00 0.33 N ATOM 0 H ASN A 466 -3.071 -2.418 13.595 1.00 0.33 H new ATOM 0 HA ASN A 466 -0.400 -3.174 14.612 1.00 0.33 H new ATOM 0 HB2 ASN A 466 -3.047 -4.671 14.407 1.00 0.33 H new ATOM 0 HB3 ASN A 466 -1.521 -5.478 14.710 1.00 0.33 H new ATOM 0 HD21 ASN A 466 -3.142 -2.909 17.626 1.00 0.33 H new ATOM 0 HD22 ASN A 466 -3.669 -2.800 15.943 1.00 0.33 H new ATOM 594 N TRP A 467 -0.766 -2.913 11.666 1.00 0.32 N ATOM 595 CA TRP A 467 -0.269 -3.090 10.301 1.00 0.32 C ATOM 596 C TRP A 467 1.225 -2.999 10.122 1.00 0.32 C ATOM 597 O TRP A 467 1.986 -2.391 10.881 1.00 0.32 O ATOM 598 CB TRP A 467 -0.878 -1.991 9.367 1.00 0.32 C ATOM 599 CG TRP A 467 -2.254 -2.279 8.901 1.00 0.32 C ATOM 600 CD1 TRP A 467 -3.103 -3.201 9.422 1.00 0.32 C ATOM 601 CD2 TRP A 467 -2.893 -1.720 7.736 1.00 0.32 C ATOM 602 NE1 TRP A 467 -4.216 -3.293 8.658 1.00 0.32 N ATOM 603 CE2 TRP A 467 -4.109 -2.405 7.604 1.00 0.32 C ATOM 604 CE3 TRP A 467 -2.493 -0.761 6.786 1.00 0.32 C ATOM 605 CZ2 TRP A 467 -4.943 -2.161 6.530 1.00 0.32 C ATOM 606 CZ3 TRP A 467 -3.353 -0.462 5.712 1.00 0.32 C ATOM 607 CH2 TRP A 467 -4.544 -1.195 5.596 1.00 0.32 C ATOM 0 H TRP A 467 -1.181 -1.991 11.802 1.00 0.32 H new ATOM 0 HA TRP A 467 -0.571 -4.107 10.051 1.00 0.32 H new ATOM 0 HB2 TRP A 467 -0.879 -1.039 9.898 1.00 0.32 H new ATOM 0 HB3 TRP A 467 -0.231 -1.870 8.498 1.00 0.32 H new ATOM 0 HD1 TRP A 467 -2.917 -3.777 10.316 1.00 0.32 H new ATOM 0 HE1 TRP A 467 -5.005 -3.916 8.831 1.00 0.32 H new ATOM 0 HE3 TRP A 467 -1.540 -0.262 6.880 1.00 0.32 H new ATOM 0 HZ2 TRP A 467 -5.873 -2.698 6.414 1.00 0.32 H new ATOM 0 HZ3 TRP A 467 -3.103 0.309 4.998 1.00 0.32 H new ATOM 0 HH2 TRP A 467 -5.184 -1.006 4.747 1.00 0.32 H new ATOM 618 N GLN A 468 1.624 -3.583 8.974 1.00 0.53 N ATOM 619 CA GLN A 468 2.958 -3.448 8.416 1.00 0.53 C ATOM 620 C GLN A 468 2.685 -3.507 6.948 1.00 0.53 C ATOM 621 O GLN A 468 2.034 -4.425 6.450 1.00 0.53 O ATOM 622 CB GLN A 468 4.117 -4.442 8.773 1.00 0.53 C ATOM 623 CG GLN A 468 4.165 -4.901 10.238 1.00 0.53 C ATOM 624 CD GLN A 468 5.322 -5.879 10.428 1.00 0.53 C ATOM 625 OE1 GLN A 468 6.491 -5.504 10.295 1.00 0.53 O ATOM 626 NE2 GLN A 468 4.991 -7.162 10.720 1.00 0.53 N ATOM 0 H GLN A 468 1.008 -4.168 8.410 1.00 0.53 H new ATOM 0 HA GLN A 468 3.385 -2.545 8.853 1.00 0.53 H new ATOM 0 HB2 GLN A 468 4.026 -5.323 8.137 1.00 0.53 H new ATOM 0 HB3 GLN A 468 5.067 -3.968 8.527 1.00 0.53 H new ATOM 0 HG2 GLN A 468 4.290 -4.041 10.896 1.00 0.53 H new ATOM 0 HG3 GLN A 468 3.224 -5.377 10.512 1.00 0.53 H new ATOM 0 HE21 GLN A 468 4.011 -7.426 10.821 1.00 0.53 H new ATOM 0 HE22 GLN A 468 5.722 -7.863 10.839 1.00 0.53 H new ATOM 635 N ILE A 469 3.218 -2.510 6.230 1.00 0.85 N ATOM 636 CA ILE A 469 3.196 -2.317 4.797 1.00 0.85 C ATOM 637 C ILE A 469 4.593 -2.820 4.380 1.00 0.85 C ATOM 638 O ILE A 469 5.581 -2.212 4.791 1.00 0.85 O ATOM 639 CB ILE A 469 3.072 -0.808 4.559 1.00 0.85 C ATOM 640 CG1 ILE A 469 1.738 -0.195 5.036 1.00 0.85 C ATOM 641 CG2 ILE A 469 3.336 -0.433 3.097 1.00 0.85 C ATOM 642 CD1 ILE A 469 0.567 -0.592 4.158 1.00 0.85 C ATOM 0 H ILE A 469 3.720 -1.753 6.694 1.00 0.85 H new ATOM 0 HA ILE A 469 2.393 -2.819 4.257 1.00 0.85 H new ATOM 0 HB ILE A 469 3.851 -0.371 5.184 1.00 0.85 H new ATOM 0 HG12 ILE A 469 1.543 -0.511 6.061 1.00 0.85 H new ATOM 0 HG13 ILE A 469 1.826 0.891 5.049 1.00 0.85 H new ATOM 0 HG21 ILE A 469 3.237 0.646 2.975 1.00 0.85 H new ATOM 0 HG22 ILE A 469 4.345 -0.739 2.819 1.00 0.85 H new ATOM 0 HG23 ILE A 469 2.614 -0.939 2.456 1.00 0.85 H new ATOM 0 HD11 ILE A 469 -0.345 -0.133 4.539 1.00 0.85 H new ATOM 0 HD12 ILE A 469 0.745 -0.252 3.138 1.00 0.85 H new ATOM 0 HD13 ILE A 469 0.458 -1.677 4.165 1.00 0.85 H new ATOM 654 N LYS A 470 4.758 -3.924 3.603 1.00 1.07 N ATOM 655 CA LYS A 470 6.085 -4.444 3.227 1.00 1.07 C ATOM 656 C LYS A 470 6.261 -4.148 1.744 1.00 1.07 C ATOM 657 O LYS A 470 5.315 -4.334 0.972 1.00 1.07 O ATOM 658 CB LYS A 470 6.225 -5.989 3.415 1.00 1.07 C ATOM 659 CG LYS A 470 5.287 -6.619 4.453 1.00 1.07 C ATOM 660 CD LYS A 470 5.932 -7.809 5.186 1.00 1.07 C ATOM 661 CE LYS A 470 6.931 -7.375 6.272 1.00 1.07 C ATOM 662 NZ LYS A 470 7.446 -8.544 7.022 1.00 1.07 N ATOM 0 H LYS A 470 3.980 -4.467 3.228 1.00 1.07 H new ATOM 0 HA LYS A 470 6.829 -3.971 3.868 1.00 1.07 H new ATOM 0 HB2 LYS A 470 6.050 -6.471 2.453 1.00 1.07 H new ATOM 0 HB3 LYS A 470 7.254 -6.210 3.700 1.00 1.07 H new ATOM 0 HG2 LYS A 470 4.996 -5.862 5.182 1.00 1.07 H new ATOM 0 HG3 LYS A 470 4.375 -6.952 3.958 1.00 1.07 H new ATOM 0 HD2 LYS A 470 5.149 -8.416 5.641 1.00 1.07 H new ATOM 0 HD3 LYS A 470 6.444 -8.441 4.461 1.00 1.07 H new ATOM 0 HE2 LYS A 470 7.762 -6.839 5.813 1.00 1.07 H new ATOM 0 HE3 LYS A 470 6.446 -6.682 6.960 1.00 1.07 H new ATOM 0 HZ1 LYS A 470 8.118 -8.222 7.748 1.00 1.07 H new ATOM 0 HZ2 LYS A 470 6.654 -9.040 7.478 1.00 1.07 H new ATOM 0 HZ3 LYS A 470 7.929 -9.192 6.367 1.00 1.07 H new ATOM 676 N ARG A 471 7.444 -3.695 1.264 1.00 1.08 N ATOM 677 CA ARG A 471 7.580 -3.412 -0.163 1.00 1.08 C ATOM 678 C ARG A 471 8.998 -3.543 -0.682 1.00 1.08 C ATOM 679 O ARG A 471 9.970 -3.340 0.043 1.00 1.08 O ATOM 680 CB ARG A 471 7.022 -2.009 -0.516 1.00 1.08 C ATOM 681 CG ARG A 471 7.320 -0.916 0.521 1.00 1.08 C ATOM 682 CD ARG A 471 7.679 0.441 -0.106 1.00 1.08 C ATOM 683 NE ARG A 471 6.930 1.553 0.579 1.00 1.08 N ATOM 684 CZ ARG A 471 7.132 1.987 1.862 1.00 1.08 C ATOM 685 NH1 ARG A 471 8.133 1.493 2.642 1.00 1.08 N ATOM 686 NH2 ARG A 471 6.294 2.942 2.365 1.00 1.08 N ATOM 0 H ARG A 471 8.279 -3.527 1.826 1.00 1.08 H new ATOM 0 HA ARG A 471 6.988 -4.179 -0.662 1.00 1.08 H new ATOM 0 HB2 ARG A 471 7.435 -1.701 -1.476 1.00 1.08 H new ATOM 0 HB3 ARG A 471 5.942 -2.085 -0.643 1.00 1.08 H new ATOM 0 HG2 ARG A 471 6.450 -0.791 1.166 1.00 1.08 H new ATOM 0 HG3 ARG A 471 8.143 -1.243 1.156 1.00 1.08 H new ATOM 0 HD2 ARG A 471 8.752 0.613 -0.025 1.00 1.08 H new ATOM 0 HD3 ARG A 471 7.437 0.433 -1.169 1.00 1.08 H new ATOM 0 HE ARG A 471 6.206 2.026 0.038 1.00 1.08 H new ATOM 0 HH11 ARG A 471 8.760 0.778 2.274 1.00 1.08 H new ATOM 0 HH12 ARG A 471 8.256 1.839 3.594 1.00 1.08 H new ATOM 0 HH21 ARG A 471 5.540 3.314 1.788 1.00 1.08 H new ATOM 0 HH22 ARG A 471 6.423 3.283 3.318 1.00 1.08 H new ATOM 700 N GLN A 472 9.124 -3.811 -2.010 1.00 0.85 N ATOM 701 CA GLN A 472 10.374 -3.827 -2.766 1.00 0.85 C ATOM 702 C GLN A 472 10.214 -2.721 -3.816 1.00 0.85 C ATOM 703 O GLN A 472 9.107 -2.510 -4.327 1.00 0.85 O ATOM 704 CB GLN A 472 10.649 -5.204 -3.435 1.00 0.85 C ATOM 705 CG GLN A 472 12.086 -5.401 -4.005 1.00 0.85 C ATOM 706 CD GLN A 472 12.258 -4.925 -5.450 1.00 0.85 C ATOM 707 OE1 GLN A 472 11.275 -4.746 -6.170 1.00 0.85 O ATOM 708 NE2 GLN A 472 13.517 -4.684 -5.887 1.00 0.85 N ATOM 0 H GLN A 472 8.315 -4.029 -2.592 1.00 0.85 H new ATOM 0 HA GLN A 472 11.230 -3.660 -2.113 1.00 0.85 H new ATOM 0 HB2 GLN A 472 10.457 -5.988 -2.703 1.00 0.85 H new ATOM 0 HB3 GLN A 472 9.934 -5.343 -4.246 1.00 0.85 H new ATOM 0 HG2 GLN A 472 12.793 -4.865 -3.371 1.00 0.85 H new ATOM 0 HG3 GLN A 472 12.345 -6.458 -3.949 1.00 0.85 H new ATOM 0 HE21 GLN A 472 14.311 -4.842 -5.267 1.00 0.85 H new ATOM 0 HE22 GLN A 472 13.671 -4.344 -6.836 1.00 0.85 H new ATOM 762 N PRO A 477 16.813 -1.575 -2.827 1.00 0.88 N ATOM 763 CA PRO A 477 16.532 -2.266 -1.557 1.00 0.88 C ATOM 764 C PRO A 477 15.087 -2.640 -1.169 1.00 0.88 C ATOM 765 O PRO A 477 14.092 -2.161 -1.720 1.00 0.88 O ATOM 766 CB PRO A 477 17.124 -1.323 -0.479 1.00 0.88 C ATOM 767 CG PRO A 477 18.232 -0.569 -1.203 1.00 0.88 C ATOM 768 CD PRO A 477 17.620 -0.376 -2.583 1.00 0.88 C ATOM 0 HA PRO A 477 16.966 -3.261 -1.658 1.00 0.88 H new ATOM 0 HB2 PRO A 477 16.368 -0.641 -0.089 1.00 0.88 H new ATOM 0 HB3 PRO A 477 17.514 -1.885 0.370 1.00 0.88 H new ATOM 0 HG2 PRO A 477 18.464 0.381 -0.721 1.00 0.88 H new ATOM 0 HG3 PRO A 477 19.159 -1.141 -1.242 1.00 0.88 H new ATOM 0 HD2 PRO A 477 17.006 0.524 -2.617 1.00 0.88 H new ATOM 0 HD3 PRO A 477 18.394 -0.263 -3.343 1.00 0.88 H new ATOM 776 N LEU A 478 15.029 -3.512 -0.128 1.00 0.93 N ATOM 777 CA LEU A 478 13.873 -4.059 0.567 1.00 0.93 C ATOM 778 C LEU A 478 13.448 -3.198 1.767 1.00 0.93 C ATOM 779 O LEU A 478 14.180 -3.022 2.740 1.00 0.93 O ATOM 780 CB LEU A 478 14.109 -5.529 0.957 1.00 0.93 C ATOM 781 CG LEU A 478 12.971 -6.551 0.703 1.00 0.93 C ATOM 782 CD1 LEU A 478 11.575 -6.056 1.091 1.00 0.93 C ATOM 783 CD2 LEU A 478 12.990 -7.010 -0.760 1.00 0.93 C ATOM 0 H LEU A 478 15.893 -3.877 0.274 1.00 0.93 H new ATOM 0 HA LEU A 478 13.034 -4.035 -0.129 1.00 0.93 H new ATOM 0 HB2 LEU A 478 14.993 -5.877 0.422 1.00 0.93 H new ATOM 0 HB3 LEU A 478 14.348 -5.556 2.020 1.00 0.93 H new ATOM 0 HG LEU A 478 13.175 -7.393 1.365 1.00 0.93 H new ATOM 0 HD11 LEU A 478 10.841 -6.834 0.880 1.00 0.93 H new ATOM 0 HD12 LEU A 478 11.556 -5.818 2.155 1.00 0.93 H new ATOM 0 HD13 LEU A 478 11.333 -5.163 0.515 1.00 0.93 H new ATOM 0 HD21 LEU A 478 12.187 -7.727 -0.927 1.00 0.93 H new ATOM 0 HD22 LEU A 478 12.849 -6.149 -1.413 1.00 0.93 H new ATOM 0 HD23 LEU A 478 13.948 -7.480 -0.981 1.00 0.93 H new ATOM 795 N LEU A 479 12.229 -2.626 1.685 1.00 0.81 N ATOM 796 CA LEU A 479 11.605 -1.749 2.644 1.00 0.81 C ATOM 797 C LEU A 479 10.438 -2.357 3.407 1.00 0.81 C ATOM 798 O LEU A 479 9.774 -3.309 2.997 1.00 0.81 O ATOM 799 CB LEU A 479 11.113 -0.517 1.885 1.00 0.81 C ATOM 800 CG LEU A 479 12.019 0.684 2.180 1.00 0.81 C ATOM 801 CD1 LEU A 479 11.877 1.245 3.609 1.00 0.81 C ATOM 802 CD2 LEU A 479 13.490 0.459 1.777 1.00 0.81 C ATOM 0 H LEU A 479 11.626 -2.790 0.879 1.00 0.81 H new ATOM 0 HA LEU A 479 12.356 -1.518 3.399 1.00 0.81 H new ATOM 0 HB2 LEU A 479 11.104 -0.720 0.814 1.00 0.81 H new ATOM 0 HB3 LEU A 479 10.087 -0.288 2.175 1.00 0.81 H new ATOM 0 HG LEU A 479 11.643 1.469 1.524 1.00 0.81 H new ATOM 0 HD11 LEU A 479 12.551 2.092 3.736 1.00 0.81 H new ATOM 0 HD12 LEU A 479 10.850 1.572 3.771 1.00 0.81 H new ATOM 0 HD13 LEU A 479 12.129 0.469 4.331 1.00 0.81 H new ATOM 0 HD21 LEU A 479 14.073 1.349 2.014 1.00 0.81 H new ATOM 0 HD22 LEU A 479 13.891 -0.394 2.325 1.00 0.81 H new ATOM 0 HD23 LEU A 479 13.548 0.262 0.706 1.00 0.81 H new ATOM 814 N THR A 480 10.091 -1.730 4.548 1.00 0.69 N ATOM 815 CA THR A 480 8.839 -1.972 5.243 1.00 0.69 C ATOM 816 C THR A 480 8.604 -0.662 5.932 1.00 0.69 C ATOM 817 O THR A 480 9.547 0.001 6.370 1.00 0.69 O ATOM 818 CB THR A 480 8.798 -3.173 6.199 1.00 0.69 C ATOM 819 OG1 THR A 480 8.863 -4.377 5.447 1.00 0.69 O ATOM 820 CG2 THR A 480 7.591 -3.194 7.194 1.00 0.69 C ATOM 0 H THR A 480 10.685 -1.039 5.006 1.00 0.69 H new ATOM 0 HA THR A 480 8.056 -2.270 4.546 1.00 0.69 H new ATOM 0 HB THR A 480 9.672 -3.075 6.843 1.00 0.69 H new ATOM 0 HG1 THR A 480 9.125 -4.173 4.525 1.00 0.69 H new ATOM 0 HG21 THR A 480 7.654 -4.081 7.824 1.00 0.69 H new ATOM 0 HG22 THR A 480 7.620 -2.302 7.819 1.00 0.69 H new ATOM 0 HG23 THR A 480 6.657 -3.214 6.633 1.00 0.69 H new ATOM 828 N TYR A 481 7.307 -0.305 6.057 1.00 0.73 N ATOM 829 CA TYR A 481 6.763 0.793 6.807 1.00 0.73 C ATOM 830 C TYR A 481 5.855 0.159 7.863 1.00 0.73 C ATOM 831 O TYR A 481 4.953 -0.610 7.527 1.00 0.73 O ATOM 832 CB TYR A 481 6.002 1.750 5.825 1.00 0.73 C ATOM 833 CG TYR A 481 5.081 2.849 6.348 1.00 0.73 C ATOM 834 CD1 TYR A 481 5.098 3.395 7.652 1.00 0.73 C ATOM 835 CD2 TYR A 481 4.194 3.408 5.414 1.00 0.73 C ATOM 836 CE1 TYR A 481 4.329 4.523 7.972 1.00 0.73 C ATOM 837 CE2 TYR A 481 3.422 4.533 5.734 1.00 0.73 C ATOM 838 CZ TYR A 481 3.524 5.119 6.999 1.00 0.73 C ATOM 839 OH TYR A 481 2.880 6.346 7.270 1.00 0.73 O ATOM 0 H TYR A 481 6.573 -0.836 5.588 1.00 0.73 H new ATOM 0 HA TYR A 481 7.517 1.406 7.301 1.00 0.73 H new ATOM 0 HB2 TYR A 481 6.756 2.235 5.205 1.00 0.73 H new ATOM 0 HB3 TYR A 481 5.404 1.120 5.166 1.00 0.73 H new ATOM 0 HD1 TYR A 481 5.712 2.937 8.413 1.00 0.73 H new ATOM 0 HD2 TYR A 481 4.105 2.964 4.434 1.00 0.73 H new ATOM 0 HE1 TYR A 481 4.359 4.931 8.971 1.00 0.73 H new ATOM 0 HE2 TYR A 481 2.746 4.948 5.001 1.00 0.73 H new ATOM 0 HH TYR A 481 3.420 7.084 6.916 1.00 0.73 H new ATOM 849 N ARG A 482 6.088 0.460 9.169 1.00 0.84 N ATOM 850 CA ARG A 482 5.322 -0.047 10.304 1.00 0.84 C ATOM 851 C ARG A 482 4.307 0.981 10.807 1.00 0.84 C ATOM 852 O ARG A 482 4.535 2.193 10.800 1.00 0.84 O ATOM 853 CB ARG A 482 6.275 -0.507 11.434 1.00 0.84 C ATOM 854 CG ARG A 482 7.037 -1.784 11.029 1.00 0.84 C ATOM 855 CD ARG A 482 8.179 -2.153 11.988 1.00 0.84 C ATOM 856 NE ARG A 482 8.807 -3.450 11.541 1.00 0.84 N ATOM 857 CZ ARG A 482 9.722 -3.556 10.525 1.00 0.84 C ATOM 858 NH1 ARG A 482 10.182 -2.452 9.868 1.00 0.84 N ATOM 859 NH2 ARG A 482 10.176 -4.791 10.162 1.00 0.84 N ATOM 0 H ARG A 482 6.843 1.084 9.453 1.00 0.84 H new ATOM 0 HA ARG A 482 4.751 -0.912 9.967 1.00 0.84 H new ATOM 0 HB2 ARG A 482 6.985 0.288 11.661 1.00 0.84 H new ATOM 0 HB3 ARG A 482 5.703 -0.693 12.343 1.00 0.84 H new ATOM 0 HG2 ARG A 482 6.334 -2.615 10.979 1.00 0.84 H new ATOM 0 HG3 ARG A 482 7.445 -1.651 10.027 1.00 0.84 H new ATOM 0 HD2 ARG A 482 8.927 -1.360 12.003 1.00 0.84 H new ATOM 0 HD3 ARG A 482 7.798 -2.252 13.004 1.00 0.84 H new ATOM 0 HE ARG A 482 8.533 -4.304 12.026 1.00 0.84 H new ATOM 0 HH11 ARG A 482 9.845 -1.525 10.130 1.00 0.84 H new ATOM 0 HH12 ARG A 482 10.863 -2.553 9.115 1.00 0.84 H new ATOM 0 HH21 ARG A 482 9.835 -5.622 10.645 1.00 0.84 H new ATOM 0 HH22 ARG A 482 10.857 -4.883 9.408 1.00 0.84 H new ATOM 873 N PHE A 483 3.120 0.483 11.251 1.00 0.68 N ATOM 874 CA PHE A 483 1.959 1.245 11.706 1.00 0.68 C ATOM 875 C PHE A 483 1.875 1.391 13.253 1.00 0.68 C ATOM 876 O PHE A 483 2.526 0.656 13.995 1.00 0.68 O ATOM 877 CB PHE A 483 0.668 0.722 10.997 1.00 0.68 C ATOM 878 CG PHE A 483 0.315 1.527 9.750 1.00 0.68 C ATOM 879 CD1 PHE A 483 1.140 1.523 8.606 1.00 0.68 C ATOM 880 CD2 PHE A 483 -0.848 2.321 9.718 1.00 0.68 C ATOM 881 CE1 PHE A 483 0.871 2.387 7.528 1.00 0.68 C ATOM 882 CE2 PHE A 483 -1.125 3.168 8.643 1.00 0.68 C ATOM 883 CZ PHE A 483 -0.249 3.231 7.558 1.00 0.68 C ATOM 0 H PHE A 483 2.955 -0.522 11.297 1.00 0.68 H new ATOM 0 HA PHE A 483 2.075 2.283 11.394 1.00 0.68 H new ATOM 0 HB2 PHE A 483 0.807 -0.324 10.722 1.00 0.68 H new ATOM 0 HB3 PHE A 483 -0.167 0.759 11.697 1.00 0.68 H new ATOM 0 HD1 PHE A 483 1.985 0.852 8.557 1.00 0.68 H new ATOM 0 HD2 PHE A 483 -1.542 2.274 10.544 1.00 0.68 H new ATOM 0 HE1 PHE A 483 1.531 2.400 6.673 1.00 0.68 H new ATOM 0 HE2 PHE A 483 -2.018 3.775 8.651 1.00 0.68 H new ATOM 0 HZ PHE A 483 -0.432 3.923 6.749 1.00 0.68 H new ATOM 893 N PRO A 484 1.094 2.375 13.773 1.00 0.53 N ATOM 894 CA PRO A 484 1.025 2.785 15.180 1.00 0.53 C ATOM 895 C PRO A 484 -0.120 2.085 15.959 1.00 0.53 C ATOM 896 O PRO A 484 -1.250 2.373 15.573 1.00 0.53 O ATOM 897 CB PRO A 484 0.710 4.290 14.992 1.00 0.53 C ATOM 898 CG PRO A 484 -0.197 4.388 13.744 1.00 0.53 C ATOM 899 CD PRO A 484 0.128 3.109 12.963 1.00 0.53 C ATOM 0 HA PRO A 484 1.918 2.544 15.757 1.00 0.53 H new ATOM 0 HB2 PRO A 484 0.208 4.695 15.871 1.00 0.53 H new ATOM 0 HB3 PRO A 484 1.626 4.865 14.854 1.00 0.53 H new ATOM 0 HG2 PRO A 484 -1.251 4.435 14.017 1.00 0.53 H new ATOM 0 HG3 PRO A 484 0.021 5.282 13.159 1.00 0.53 H new ATOM 0 HD2 PRO A 484 -0.771 2.516 12.795 1.00 0.53 H new ATOM 0 HD3 PRO A 484 0.541 3.345 11.982 1.00 0.53 H new ATOM 907 N PRO A 485 -0.019 1.300 17.058 1.00 0.68 N ATOM 908 CA PRO A 485 -1.089 0.443 17.655 1.00 0.68 C ATOM 909 C PRO A 485 -2.413 1.058 18.184 1.00 0.68 C ATOM 910 O PRO A 485 -3.043 0.444 19.041 1.00 0.68 O ATOM 911 CB PRO A 485 -0.325 -0.344 18.741 1.00 0.68 C ATOM 912 CG PRO A 485 0.882 0.523 19.058 1.00 0.68 C ATOM 913 CD PRO A 485 1.269 1.047 17.684 1.00 0.68 C ATOM 0 HA PRO A 485 -1.538 -0.133 16.846 1.00 0.68 H new ATOM 0 HB2 PRO A 485 -0.943 -0.503 19.625 1.00 0.68 H new ATOM 0 HB3 PRO A 485 -0.024 -1.328 18.381 1.00 0.68 H new ATOM 0 HG2 PRO A 485 0.634 1.330 19.747 1.00 0.68 H new ATOM 0 HG3 PRO A 485 1.687 -0.051 19.517 1.00 0.68 H new ATOM 0 HD2 PRO A 485 1.870 1.954 17.752 1.00 0.68 H new ATOM 0 HD3 PRO A 485 1.854 0.318 17.124 1.00 0.68 H new ATOM 921 N LYS A 486 -2.877 2.226 17.676 1.00 0.85 N ATOM 922 CA LYS A 486 -4.073 2.945 18.104 1.00 0.85 C ATOM 923 C LYS A 486 -5.324 2.927 17.252 1.00 0.85 C ATOM 924 O LYS A 486 -6.439 3.022 17.747 1.00 0.85 O ATOM 925 CB LYS A 486 -3.690 4.407 18.458 1.00 0.85 C ATOM 926 CG LYS A 486 -3.055 5.218 17.309 1.00 0.85 C ATOM 927 CD LYS A 486 -2.651 6.643 17.720 1.00 0.85 C ATOM 928 CE LYS A 486 -3.842 7.567 18.015 1.00 0.85 C ATOM 929 NZ LYS A 486 -3.383 8.936 18.348 1.00 0.85 N ATOM 0 H LYS A 486 -2.392 2.706 16.918 1.00 0.85 H new ATOM 0 HA LYS A 486 -4.399 2.351 18.958 1.00 0.85 H new ATOM 0 HB2 LYS A 486 -4.585 4.928 18.797 1.00 0.85 H new ATOM 0 HB3 LYS A 486 -2.994 4.390 19.297 1.00 0.85 H new ATOM 0 HG2 LYS A 486 -2.174 4.689 16.944 1.00 0.85 H new ATOM 0 HG3 LYS A 486 -3.760 5.273 16.480 1.00 0.85 H new ATOM 0 HD2 LYS A 486 -2.017 6.589 18.605 1.00 0.85 H new ATOM 0 HD3 LYS A 486 -2.050 7.084 16.924 1.00 0.85 H new ATOM 0 HE2 LYS A 486 -4.503 7.602 17.149 1.00 0.85 H new ATOM 0 HE3 LYS A 486 -4.424 7.163 18.844 1.00 0.85 H new ATOM 0 HZ1 LYS A 486 -4.207 9.540 18.543 1.00 0.85 H new ATOM 0 HZ2 LYS A 486 -2.771 8.902 19.189 1.00 0.85 H new ATOM 0 HZ3 LYS A 486 -2.848 9.327 17.546 1.00 0.85 H new ATOM 943 N PHE A 487 -5.163 2.849 15.940 1.00 0.81 N ATOM 944 CA PHE A 487 -6.218 2.969 14.915 1.00 0.81 C ATOM 945 C PHE A 487 -6.960 1.658 14.527 1.00 0.81 C ATOM 946 O PHE A 487 -6.482 0.535 14.691 1.00 0.81 O ATOM 947 CB PHE A 487 -5.610 3.774 13.702 1.00 0.81 C ATOM 948 CG PHE A 487 -6.503 4.010 12.498 1.00 0.81 C ATOM 949 CD1 PHE A 487 -6.552 2.999 11.536 1.00 0.81 C ATOM 950 CD2 PHE A 487 -7.314 5.145 12.321 1.00 0.81 C ATOM 951 CE1 PHE A 487 -7.403 3.071 10.432 1.00 0.81 C ATOM 952 CE2 PHE A 487 -8.154 5.245 11.198 1.00 0.81 C ATOM 953 CZ PHE A 487 -8.202 4.205 10.255 1.00 0.81 C ATOM 0 H PHE A 487 -4.244 2.691 15.526 1.00 0.81 H new ATOM 0 HA PHE A 487 -7.051 3.522 15.348 1.00 0.81 H new ATOM 0 HB2 PHE A 487 -5.283 4.745 14.073 1.00 0.81 H new ATOM 0 HB3 PHE A 487 -4.719 3.246 13.361 1.00 0.81 H new ATOM 0 HD1 PHE A 487 -5.913 2.136 11.650 1.00 0.81 H new ATOM 0 HD2 PHE A 487 -7.292 5.942 13.050 1.00 0.81 H new ATOM 0 HE1 PHE A 487 -7.444 2.259 9.721 1.00 0.81 H new ATOM 0 HE2 PHE A 487 -8.765 6.125 11.060 1.00 0.81 H new ATOM 0 HZ PHE A 487 -8.853 4.281 9.397 1.00 0.81 H new ATOM 963 N THR A 488 -8.178 1.824 13.937 1.00 0.82 N ATOM 964 CA THR A 488 -9.080 0.825 13.345 1.00 0.82 C ATOM 965 C THR A 488 -9.786 1.428 12.145 1.00 0.82 C ATOM 966 O THR A 488 -10.273 2.547 12.202 1.00 0.82 O ATOM 967 CB THR A 488 -10.129 0.247 14.311 1.00 0.82 C ATOM 968 OG1 THR A 488 -9.441 -0.526 15.288 1.00 0.82 O ATOM 969 CG2 THR A 488 -11.194 -0.672 13.638 1.00 0.82 C ATOM 0 H THR A 488 -8.581 2.758 13.863 1.00 0.82 H new ATOM 0 HA THR A 488 -8.443 -0.012 13.059 1.00 0.82 H new ATOM 0 HB THR A 488 -10.670 1.096 14.729 1.00 0.82 H new ATOM 0 HG1 THR A 488 -10.087 -0.906 15.919 1.00 0.82 H new ATOM 0 HG21 THR A 488 -11.892 -1.034 14.393 1.00 0.82 H new ATOM 0 HG22 THR A 488 -11.739 -0.105 12.883 1.00 0.82 H new ATOM 0 HG23 THR A 488 -10.697 -1.520 13.167 1.00 0.82 H new ATOM 977 N LEU A 489 -9.887 0.630 11.049 1.00 0.93 N ATOM 978 CA LEU A 489 -10.592 0.811 9.793 1.00 0.93 C ATOM 979 C LEU A 489 -11.975 0.198 9.962 1.00 0.93 C ATOM 980 O LEU A 489 -12.178 -0.809 10.625 1.00 0.93 O ATOM 981 CB LEU A 489 -9.731 0.142 8.654 1.00 0.93 C ATOM 982 CG LEU A 489 -10.345 -0.807 7.590 1.00 0.93 C ATOM 983 CD1 LEU A 489 -11.417 -0.079 6.797 1.00 0.93 C ATOM 984 CD2 LEU A 489 -9.274 -1.365 6.621 1.00 0.93 C ATOM 0 H LEU A 489 -9.404 -0.269 11.047 1.00 0.93 H new ATOM 0 HA LEU A 489 -10.727 1.856 9.514 1.00 0.93 H new ATOM 0 HB2 LEU A 489 -9.252 0.955 8.107 1.00 0.93 H new ATOM 0 HB3 LEU A 489 -8.939 -0.418 9.151 1.00 0.93 H new ATOM 0 HG LEU A 489 -10.785 -1.649 8.123 1.00 0.93 H new ATOM 0 HD11 LEU A 489 -11.841 -0.754 6.053 1.00 0.93 H new ATOM 0 HD12 LEU A 489 -12.204 0.257 7.472 1.00 0.93 H new ATOM 0 HD13 LEU A 489 -10.976 0.783 6.295 1.00 0.93 H new ATOM 0 HD21 LEU A 489 -9.749 -2.024 5.894 1.00 0.93 H new ATOM 0 HD22 LEU A 489 -8.789 -0.539 6.100 1.00 0.93 H new ATOM 0 HD23 LEU A 489 -8.529 -1.925 7.186 1.00 0.93 H new ATOM 996 N LYS A 490 -12.964 0.861 9.356 1.00 0.79 N ATOM 997 CA LYS A 490 -14.367 0.637 9.404 1.00 0.79 C ATOM 998 C LYS A 490 -14.840 -0.101 8.160 1.00 0.79 C ATOM 999 O LYS A 490 -14.540 0.403 7.095 1.00 0.79 O ATOM 1000 CB LYS A 490 -14.976 2.085 9.272 1.00 0.79 C ATOM 1001 CG LYS A 490 -14.271 3.135 10.167 1.00 0.79 C ATOM 1002 CD LYS A 490 -14.488 2.886 11.666 1.00 0.79 C ATOM 1003 CE LYS A 490 -13.762 3.915 12.543 1.00 0.79 C ATOM 1004 NZ LYS A 490 -13.948 3.615 13.982 1.00 0.79 N ATOM 0 H LYS A 490 -12.748 1.657 8.755 1.00 0.79 H new ATOM 0 HA LYS A 490 -14.643 0.073 10.295 1.00 0.79 H new ATOM 0 HB2 LYS A 490 -14.912 2.404 8.232 1.00 0.79 H new ATOM 0 HB3 LYS A 490 -16.034 2.051 9.530 1.00 0.79 H new ATOM 0 HG2 LYS A 490 -13.202 3.127 9.954 1.00 0.79 H new ATOM 0 HG3 LYS A 490 -14.640 4.128 9.912 1.00 0.79 H new ATOM 0 HD2 LYS A 490 -15.555 2.915 11.885 1.00 0.79 H new ATOM 0 HD3 LYS A 490 -14.138 1.885 11.919 1.00 0.79 H new ATOM 0 HE2 LYS A 490 -12.699 3.916 12.303 1.00 0.79 H new ATOM 0 HE3 LYS A 490 -14.139 4.914 12.325 1.00 0.79 H new ATOM 0 HZ1 LYS A 490 -13.447 4.326 14.552 1.00 0.79 H new ATOM 0 HZ2 LYS A 490 -14.962 3.637 14.213 1.00 0.79 H new ATOM 0 HZ3 LYS A 490 -13.566 2.671 14.192 1.00 0.79 H new ATOM 1018 N ALA A 491 -15.602 -1.232 8.185 1.00 0.40 N ATOM 1019 CA ALA A 491 -16.374 -1.891 7.097 1.00 0.40 C ATOM 1020 C ALA A 491 -16.763 -1.033 5.850 1.00 0.40 C ATOM 1021 O ALA A 491 -17.722 -0.269 5.885 1.00 0.40 O ATOM 1022 CB ALA A 491 -17.694 -2.364 7.762 1.00 0.40 C ATOM 0 H ALA A 491 -15.699 -1.755 9.056 1.00 0.40 H new ATOM 0 HA ALA A 491 -15.721 -2.663 6.690 1.00 0.40 H new ATOM 0 HB1 ALA A 491 -18.318 -2.861 7.019 1.00 0.40 H new ATOM 0 HB2 ALA A 491 -17.466 -3.060 8.569 1.00 0.40 H new ATOM 0 HB3 ALA A 491 -18.227 -1.503 8.166 1.00 0.40 H new ATOM 1028 N GLY A 492 -15.867 -1.060 4.823 1.00 0.27 N ATOM 1029 CA GLY A 492 -15.670 -0.088 3.728 1.00 0.27 C ATOM 1030 C GLY A 492 -15.534 1.413 3.894 1.00 0.27 C ATOM 1031 O GLY A 492 -16.209 2.222 3.264 1.00 0.27 O ATOM 0 H GLY A 492 -15.209 -1.835 4.741 1.00 0.27 H new ATOM 0 HA2 GLY A 492 -14.771 -0.411 3.203 1.00 0.27 H new ATOM 0 HA3 GLY A 492 -16.507 -0.236 3.046 1.00 0.27 H new ATOM 1035 N GLN A 493 -14.489 1.786 4.667 1.00 0.35 N ATOM 1036 CA GLN A 493 -13.890 3.088 4.845 1.00 0.35 C ATOM 1037 C GLN A 493 -12.842 3.188 3.717 1.00 0.35 C ATOM 1038 O GLN A 493 -12.292 2.149 3.320 1.00 0.35 O ATOM 1039 CB GLN A 493 -13.206 3.189 6.243 1.00 0.35 C ATOM 1040 CG GLN A 493 -11.905 4.011 6.455 1.00 0.35 C ATOM 1041 CD GLN A 493 -10.626 3.163 6.393 1.00 0.35 C ATOM 1042 OE1 GLN A 493 -10.451 2.316 5.343 1.00 0.35 O flip ATOM 1043 NE2 GLN A 493 -9.851 3.200 7.349 1.00 0.35 N flip ATOM 0 H GLN A 493 -14.007 1.090 5.235 1.00 0.35 H new ATOM 0 HA GLN A 493 -14.623 3.893 4.801 1.00 0.35 H new ATOM 0 HB2 GLN A 493 -13.950 3.591 6.931 1.00 0.35 H new ATOM 0 HB3 GLN A 493 -12.992 2.170 6.565 1.00 0.35 H new ATOM 0 HG2 GLN A 493 -11.851 4.792 5.696 1.00 0.35 H new ATOM 0 HG3 GLN A 493 -11.954 4.510 7.423 1.00 0.35 H new ATOM 0 HE21 GLN A 493 -10.019 3.850 8.117 1.00 0.35 H new ATOM 0 HE22 GLN A 493 -9.041 2.580 7.373 1.00 0.35 H new ATOM 1052 N VAL A 494 -12.443 4.398 3.262 1.00 0.36 N ATOM 1053 CA VAL A 494 -11.329 4.618 2.331 1.00 0.36 C ATOM 1054 C VAL A 494 -10.064 4.997 3.116 1.00 0.36 C ATOM 1055 O VAL A 494 -10.141 5.705 4.117 1.00 0.36 O ATOM 1056 CB VAL A 494 -11.686 5.723 1.334 1.00 0.36 C ATOM 1057 CG1 VAL A 494 -10.490 6.143 0.450 1.00 0.36 C ATOM 1058 CG2 VAL A 494 -12.840 5.205 0.452 1.00 0.36 C ATOM 0 H VAL A 494 -12.902 5.264 3.543 1.00 0.36 H new ATOM 0 HA VAL A 494 -11.140 3.699 1.777 1.00 0.36 H new ATOM 0 HB VAL A 494 -11.979 6.613 1.891 1.00 0.36 H new ATOM 0 HG11 VAL A 494 -10.804 6.929 -0.237 1.00 0.36 H new ATOM 0 HG12 VAL A 494 -9.683 6.514 1.082 1.00 0.36 H new ATOM 0 HG13 VAL A 494 -10.139 5.283 -0.120 1.00 0.36 H new ATOM 0 HG21 VAL A 494 -13.118 5.972 -0.271 1.00 0.36 H new ATOM 0 HG22 VAL A 494 -12.519 4.307 -0.077 1.00 0.36 H new ATOM 0 HG23 VAL A 494 -13.700 4.969 1.079 1.00 0.36 H new ATOM 1068 N VAL A 495 -8.852 4.561 2.666 1.00 0.55 N ATOM 1069 CA VAL A 495 -7.581 4.958 3.274 1.00 0.55 C ATOM 1070 C VAL A 495 -6.519 4.992 2.209 1.00 0.55 C ATOM 1071 O VAL A 495 -6.639 4.396 1.152 1.00 0.55 O ATOM 1072 CB VAL A 495 -7.236 4.174 4.548 1.00 0.55 C ATOM 1073 CG1 VAL A 495 -6.882 2.707 4.224 1.00 0.55 C ATOM 1074 CG2 VAL A 495 -6.170 4.892 5.408 1.00 0.55 C ATOM 0 H VAL A 495 -8.746 3.927 1.874 1.00 0.55 H new ATOM 0 HA VAL A 495 -7.664 5.972 3.666 1.00 0.55 H new ATOM 0 HB VAL A 495 -8.130 4.142 5.171 1.00 0.55 H new ATOM 0 HG11 VAL A 495 -6.642 2.178 5.147 1.00 0.55 H new ATOM 0 HG12 VAL A 495 -7.732 2.226 3.740 1.00 0.55 H new ATOM 0 HG13 VAL A 495 -6.021 2.679 3.556 1.00 0.55 H new ATOM 0 HG21 VAL A 495 -5.960 4.298 6.298 1.00 0.55 H new ATOM 0 HG22 VAL A 495 -5.255 5.012 4.828 1.00 0.55 H new ATOM 0 HG23 VAL A 495 -6.542 5.872 5.706 1.00 0.55 H new ATOM 1084 N THR A 496 -5.442 5.779 2.376 1.00 0.72 N ATOM 1085 CA THR A 496 -4.461 5.955 1.319 1.00 0.72 C ATOM 1086 C THR A 496 -3.127 5.910 1.962 1.00 0.72 C ATOM 1087 O THR A 496 -2.828 6.720 2.833 1.00 0.72 O ATOM 1088 CB THR A 496 -4.604 7.344 0.663 1.00 0.72 C ATOM 1089 OG1 THR A 496 -5.924 7.495 0.171 1.00 0.72 O ATOM 1090 CG2 THR A 496 -3.612 7.619 -0.493 1.00 0.72 C ATOM 0 H THR A 496 -5.239 6.296 3.232 1.00 0.72 H new ATOM 0 HA THR A 496 -4.597 5.184 0.561 1.00 0.72 H new ATOM 0 HB THR A 496 -4.372 8.066 1.446 1.00 0.72 H new ATOM 0 HG1 THR A 496 -6.019 8.377 -0.245 1.00 0.72 H new ATOM 0 HG21 THR A 496 -3.787 8.618 -0.893 1.00 0.72 H new ATOM 0 HG22 THR A 496 -2.590 7.551 -0.120 1.00 0.72 H new ATOM 0 HG23 THR A 496 -3.760 6.882 -1.282 1.00 0.72 H new ATOM 1098 N ILE A 497 -2.259 4.959 1.582 1.00 0.70 N ATOM 1099 CA ILE A 497 -0.910 4.898 2.117 1.00 0.70 C ATOM 1100 C ILE A 497 0.052 5.158 0.970 1.00 0.70 C ATOM 1101 O ILE A 497 -0.279 4.808 -0.162 1.00 0.70 O ATOM 1102 CB ILE A 497 -0.745 3.569 2.856 1.00 0.70 C ATOM 1103 CG1 ILE A 497 -1.822 3.541 3.970 1.00 0.70 C ATOM 1104 CG2 ILE A 497 0.613 3.485 3.568 1.00 0.70 C ATOM 1105 CD1 ILE A 497 -3.128 2.794 3.667 1.00 0.70 C ATOM 0 H ILE A 497 -2.477 4.227 0.906 1.00 0.70 H new ATOM 0 HA ILE A 497 -0.691 5.662 2.863 1.00 0.70 H new ATOM 0 HB ILE A 497 -0.829 2.753 2.139 1.00 0.70 H new ATOM 0 HG12 ILE A 497 -1.376 3.095 4.859 1.00 0.70 H new ATOM 0 HG13 ILE A 497 -2.073 4.571 4.222 1.00 0.70 H new ATOM 0 HG21 ILE A 497 0.695 2.528 4.082 1.00 0.70 H new ATOM 0 HG22 ILE A 497 1.414 3.573 2.835 1.00 0.70 H new ATOM 0 HG23 ILE A 497 0.694 4.295 4.293 1.00 0.70 H new ATOM 0 HD11 ILE A 497 -3.790 2.854 4.531 1.00 0.70 H new ATOM 0 HD12 ILE A 497 -3.615 3.248 2.804 1.00 0.70 H new ATOM 0 HD13 ILE A 497 -2.907 1.749 3.451 1.00 0.70 H new ATOM 1117 N TRP A 498 1.256 5.749 1.260 1.00 0.58 N ATOM 1118 CA TRP A 498 2.419 5.951 0.332 1.00 0.58 C ATOM 1119 C TRP A 498 3.699 6.730 0.724 1.00 0.58 C ATOM 1120 O TRP A 498 4.117 6.673 1.876 1.00 0.58 O ATOM 1121 CB TRP A 498 2.157 5.939 -1.219 1.00 0.58 C ATOM 1122 CG TRP A 498 2.818 4.756 -1.921 1.00 0.58 C ATOM 1123 CD1 TRP A 498 3.482 4.731 -3.110 1.00 0.58 C ATOM 1124 CD2 TRP A 498 3.021 3.445 -1.344 1.00 0.58 C ATOM 1125 NE1 TRP A 498 4.110 3.536 -3.271 1.00 0.58 N ATOM 1126 CE2 TRP A 498 3.967 2.801 -2.153 1.00 0.58 C ATOM 1127 CE3 TRP A 498 2.517 2.805 -0.211 1.00 0.58 C ATOM 1128 CZ2 TRP A 498 4.509 1.590 -1.806 1.00 0.58 C ATOM 1129 CZ3 TRP A 498 3.063 1.581 0.152 1.00 0.58 C ATOM 1130 CH2 TRP A 498 4.086 1.020 -0.609 1.00 0.58 C ATOM 0 H TRP A 498 1.450 6.115 2.192 1.00 0.58 H new ATOM 0 HA TRP A 498 2.735 4.957 0.648 1.00 0.58 H new ATOM 0 HB2 TRP A 498 1.083 5.910 -1.401 1.00 0.58 H new ATOM 0 HB3 TRP A 498 2.529 6.867 -1.653 1.00 0.58 H new ATOM 0 HD1 TRP A 498 3.506 5.543 -3.822 1.00 0.58 H new ATOM 0 HE1 TRP A 498 4.612 3.242 -4.109 1.00 0.58 H new ATOM 0 HE3 TRP A 498 1.722 3.250 0.369 1.00 0.58 H new ATOM 0 HZ2 TRP A 498 5.235 1.098 -2.436 1.00 0.58 H new ATOM 0 HZ3 TRP A 498 2.694 1.063 1.025 1.00 0.58 H new ATOM 0 HH2 TRP A 498 4.565 0.117 -0.260 1.00 0.58 H new ATOM 1141 N ALA A 499 4.416 7.379 -0.265 1.00 0.33 N ATOM 1142 CA ALA A 499 5.674 8.121 -0.144 1.00 0.33 C ATOM 1143 C ALA A 499 5.493 9.607 0.204 1.00 0.33 C ATOM 1144 O ALA A 499 4.541 10.244 -0.262 1.00 0.33 O ATOM 1145 CB ALA A 499 6.505 7.963 -1.441 1.00 0.33 C ATOM 0 H ALA A 499 4.081 7.380 -1.228 1.00 0.33 H new ATOM 0 HA ALA A 499 6.209 7.685 0.700 1.00 0.33 H new ATOM 0 HB1 ALA A 499 7.439 8.517 -1.345 1.00 0.33 H new ATOM 0 HB2 ALA A 499 6.724 6.908 -1.606 1.00 0.33 H new ATOM 0 HB3 ALA A 499 5.938 8.353 -2.286 1.00 0.33 H new ATOM 1151 N ALA A 500 6.419 10.177 1.065 1.00 0.18 N ATOM 1152 CA ALA A 500 6.426 11.544 1.661 1.00 0.18 C ATOM 1153 C ALA A 500 6.024 12.726 0.805 1.00 0.18 C ATOM 1154 O ALA A 500 5.140 13.508 1.163 1.00 0.18 O ATOM 1155 CB ALA A 500 7.750 11.874 2.384 1.00 0.18 C ATOM 0 H ALA A 500 7.231 9.641 1.372 1.00 0.18 H new ATOM 0 HA ALA A 500 5.598 11.434 2.362 1.00 0.18 H new ATOM 0 HB1 ALA A 500 7.697 12.881 2.798 1.00 0.18 H new ATOM 0 HB2 ALA A 500 7.913 11.159 3.190 1.00 0.18 H new ATOM 0 HB3 ALA A 500 8.576 11.816 1.675 1.00 0.18 H new ATOM 1161 N GLY A 501 6.660 12.812 -0.384 1.00 0.15 N ATOM 1162 CA GLY A 501 6.308 13.765 -1.421 1.00 0.15 C ATOM 1163 C GLY A 501 5.966 13.069 -2.692 1.00 0.15 C ATOM 1164 O GLY A 501 6.527 13.381 -3.740 1.00 0.15 O ATOM 0 H GLY A 501 7.440 12.207 -0.639 1.00 0.15 H new ATOM 0 HA2 GLY A 501 5.461 14.368 -1.093 1.00 0.15 H new ATOM 0 HA3 GLY A 501 7.140 14.449 -1.589 1.00 0.15 H new ATOM 1168 N ALA A 502 5.015 12.106 -2.657 1.00 0.13 N ATOM 1169 CA ALA A 502 4.545 11.361 -3.823 1.00 0.13 C ATOM 1170 C ALA A 502 3.679 12.169 -4.788 1.00 0.13 C ATOM 1171 O ALA A 502 3.552 11.838 -5.960 1.00 0.13 O ATOM 1172 CB ALA A 502 3.704 10.138 -3.384 1.00 0.13 C ATOM 0 H ALA A 502 4.550 11.828 -1.793 1.00 0.13 H new ATOM 0 HA ALA A 502 5.458 11.073 -4.344 1.00 0.13 H new ATOM 0 HB1 ALA A 502 3.363 9.596 -4.266 1.00 0.13 H new ATOM 0 HB2 ALA A 502 4.315 9.479 -2.767 1.00 0.13 H new ATOM 0 HB3 ALA A 502 2.841 10.477 -2.810 1.00 0.13 H new ATOM 1178 N GLY A 503 2.990 13.203 -4.237 1.00 0.12 N ATOM 1179 CA GLY A 503 1.895 13.929 -4.881 1.00 0.12 C ATOM 1180 C GLY A 503 0.648 13.681 -4.072 1.00 0.12 C ATOM 1181 O GLY A 503 -0.408 14.265 -4.291 1.00 0.12 O ATOM 0 H GLY A 503 3.198 13.555 -3.303 1.00 0.12 H new ATOM 0 HA2 GLY A 503 2.117 14.995 -4.926 1.00 0.12 H new ATOM 0 HA3 GLY A 503 1.760 13.588 -5.907 1.00 0.12 H new ATOM 1185 N ALA A 504 0.805 12.799 -3.055 1.00 0.14 N ATOM 1186 CA ALA A 504 -0.113 12.437 -2.017 1.00 0.14 C ATOM 1187 C ALA A 504 0.646 13.006 -0.838 1.00 0.14 C ATOM 1188 O ALA A 504 1.874 12.919 -0.790 1.00 0.14 O ATOM 1189 CB ALA A 504 -0.317 10.912 -1.949 1.00 0.14 C ATOM 0 H ALA A 504 1.681 12.285 -2.958 1.00 0.14 H new ATOM 0 HA ALA A 504 -1.135 12.803 -2.117 1.00 0.14 H new ATOM 0 HB1 ALA A 504 -1.019 10.674 -1.150 1.00 0.14 H new ATOM 0 HB2 ALA A 504 -0.714 10.555 -2.899 1.00 0.14 H new ATOM 0 HB3 ALA A 504 0.638 10.426 -1.749 1.00 0.14 H new ATOM 1195 N THR A 505 -0.056 13.703 0.068 1.00 0.22 N ATOM 1196 CA THR A 505 0.563 14.498 1.124 1.00 0.22 C ATOM 1197 C THR A 505 0.705 13.770 2.445 1.00 0.22 C ATOM 1198 O THR A 505 0.148 12.698 2.653 1.00 0.22 O ATOM 1199 CB THR A 505 -0.119 15.851 1.222 1.00 0.22 C ATOM 1200 OG1 THR A 505 0.672 16.820 1.903 1.00 0.22 O ATOM 1201 CG2 THR A 505 -1.474 15.672 1.900 1.00 0.22 C ATOM 0 H THR A 505 -1.076 13.727 0.083 1.00 0.22 H new ATOM 0 HA THR A 505 1.600 14.676 0.841 1.00 0.22 H new ATOM 0 HB THR A 505 -0.256 16.237 0.212 1.00 0.22 H new ATOM 0 HG1 THR A 505 0.188 17.672 1.937 1.00 0.22 H new ATOM 0 HG21 THR A 505 -1.973 16.638 1.976 1.00 0.22 H new ATOM 0 HG22 THR A 505 -2.088 14.991 1.311 1.00 0.22 H new ATOM 0 HG23 THR A 505 -1.330 15.259 2.898 1.00 0.22 H new ATOM 1209 N HIS A 506 1.406 14.393 3.434 1.00 0.30 N ATOM 1210 CA HIS A 506 1.538 13.917 4.804 1.00 0.30 C ATOM 1211 C HIS A 506 0.275 14.296 5.592 1.00 0.30 C ATOM 1212 O HIS A 506 0.033 15.437 5.991 1.00 0.30 O ATOM 1213 CB HIS A 506 2.865 14.429 5.442 1.00 0.30 C ATOM 1214 CG HIS A 506 2.950 15.882 5.871 1.00 0.30 C ATOM 1215 ND1 HIS A 506 3.493 16.896 5.107 1.00 0.30 N ATOM 1216 CD2 HIS A 506 2.560 16.474 7.035 1.00 0.30 C ATOM 1217 CE1 HIS A 506 3.402 18.035 5.837 1.00 0.30 C ATOM 1218 NE2 HIS A 506 2.847 17.827 7.013 1.00 0.30 N ATOM 0 H HIS A 506 1.904 15.268 3.274 1.00 0.30 H new ATOM 0 HA HIS A 506 1.612 12.830 4.826 1.00 0.30 H new ATOM 0 HB2 HIS A 506 3.071 13.813 6.317 1.00 0.30 H new ATOM 0 HB3 HIS A 506 3.668 14.247 4.728 1.00 0.30 H new ATOM 0 HD2 HIS A 506 2.092 15.958 7.860 1.00 0.30 H new ATOM 0 HE1 HIS A 506 3.745 19.000 5.494 1.00 0.30 H new ATOM 0 HE2 HIS A 506 2.668 18.513 7.746 1.00 0.30 H new ATOM 1226 N SER A 507 -0.641 13.307 5.728 1.00 0.26 N ATOM 1227 CA SER A 507 -1.982 13.532 6.257 1.00 0.26 C ATOM 1228 C SER A 507 -2.687 12.369 6.989 1.00 0.26 C ATOM 1229 O SER A 507 -3.703 11.881 6.481 1.00 0.26 O ATOM 1230 CB SER A 507 -2.794 14.179 5.123 1.00 0.26 C ATOM 1231 OG SER A 507 -2.562 15.587 5.048 1.00 0.26 O ATOM 0 H SER A 507 -0.458 12.337 5.471 1.00 0.26 H new ATOM 0 HA SER A 507 -1.892 14.198 7.115 1.00 0.26 H new ATOM 0 HB2 SER A 507 -2.528 13.715 4.173 1.00 0.26 H new ATOM 0 HB3 SER A 507 -3.856 13.992 5.283 1.00 0.26 H new ATOM 0 HG SER A 507 -1.689 15.796 5.441 1.00 0.26 H new ATOM 1237 N PRO A 508 -2.235 11.831 8.153 1.00 0.20 N ATOM 1238 CA PRO A 508 -2.867 10.712 8.881 1.00 0.20 C ATOM 1239 C PRO A 508 -4.195 11.059 9.591 1.00 0.20 C ATOM 1240 O PRO A 508 -4.386 12.221 9.946 1.00 0.20 O ATOM 1241 CB PRO A 508 -1.788 10.280 9.888 1.00 0.20 C ATOM 1242 CG PRO A 508 -0.521 10.681 9.153 1.00 0.20 C ATOM 1243 CD PRO A 508 -0.911 12.090 8.701 1.00 0.20 C ATOM 0 HA PRO A 508 -3.169 9.928 8.186 1.00 0.20 H new ATOM 0 HB2 PRO A 508 -1.889 10.793 10.844 1.00 0.20 H new ATOM 0 HB3 PRO A 508 -1.823 9.210 10.095 1.00 0.20 H new ATOM 0 HG2 PRO A 508 0.355 10.679 9.801 1.00 0.20 H new ATOM 0 HG3 PRO A 508 -0.299 10.021 8.315 1.00 0.20 H new ATOM 0 HD2 PRO A 508 -0.935 12.800 9.528 1.00 0.20 H new ATOM 0 HD3 PRO A 508 -0.224 12.492 7.956 1.00 0.20 H new ATOM 1251 N PRO A 509 -5.112 10.096 9.835 1.00 0.37 N ATOM 1252 CA PRO A 509 -5.009 8.659 9.549 1.00 0.37 C ATOM 1253 C PRO A 509 -5.548 8.319 8.147 1.00 0.37 C ATOM 1254 O PRO A 509 -6.016 7.210 7.913 1.00 0.37 O ATOM 1255 CB PRO A 509 -5.898 8.088 10.666 1.00 0.37 C ATOM 1256 CG PRO A 509 -7.040 9.102 10.831 1.00 0.37 C ATOM 1257 CD PRO A 509 -6.398 10.439 10.443 1.00 0.37 C ATOM 0 HA PRO A 509 -3.992 8.266 9.538 1.00 0.37 H new ATOM 0 HB2 PRO A 509 -6.282 7.103 10.399 1.00 0.37 H new ATOM 0 HB3 PRO A 509 -5.338 7.971 11.594 1.00 0.37 H new ATOM 0 HG2 PRO A 509 -7.885 8.862 10.186 1.00 0.37 H new ATOM 0 HG3 PRO A 509 -7.415 9.120 11.854 1.00 0.37 H new ATOM 0 HD2 PRO A 509 -7.028 10.988 9.744 1.00 0.37 H new ATOM 0 HD3 PRO A 509 -6.261 11.076 11.317 1.00 0.37 H new ATOM 1265 N THR A 510 -5.497 9.279 7.198 1.00 0.65 N ATOM 1266 CA THR A 510 -6.083 9.215 5.866 1.00 0.65 C ATOM 1267 C THR A 510 -5.089 9.061 4.738 1.00 0.65 C ATOM 1268 O THR A 510 -5.371 8.351 3.775 1.00 0.65 O ATOM 1269 CB THR A 510 -6.985 10.434 5.611 1.00 0.65 C ATOM 1270 OG1 THR A 510 -6.399 11.694 5.983 1.00 0.65 O ATOM 1271 CG2 THR A 510 -8.242 10.255 6.486 1.00 0.65 C ATOM 0 H THR A 510 -5.016 10.163 7.363 1.00 0.65 H new ATOM 0 HA THR A 510 -6.673 8.299 5.863 1.00 0.65 H new ATOM 0 HB THR A 510 -7.178 10.470 4.539 1.00 0.65 H new ATOM 0 HG1 THR A 510 -5.427 11.593 6.061 1.00 0.65 H new ATOM 0 HG21 THR A 510 -8.913 11.101 6.336 1.00 0.65 H new ATOM 0 HG22 THR A 510 -8.752 9.333 6.206 1.00 0.65 H new ATOM 0 HG23 THR A 510 -7.951 10.204 7.535 1.00 0.65 H new ATOM 1279 N ASP A 511 -3.918 9.727 4.825 1.00 0.62 N ATOM 1280 CA ASP A 511 -2.903 9.747 3.804 1.00 0.62 C ATOM 1281 C ASP A 511 -1.662 9.503 4.617 1.00 0.62 C ATOM 1282 O ASP A 511 -1.122 10.389 5.286 1.00 0.62 O ATOM 1283 CB ASP A 511 -2.879 11.154 3.124 1.00 0.62 C ATOM 1284 CG ASP A 511 -2.478 11.036 1.653 1.00 0.62 C ATOM 1285 OD1 ASP A 511 -1.379 10.481 1.383 1.00 0.62 O ATOM 1286 OD2 ASP A 511 -3.264 11.495 0.782 1.00 0.62 O ATOM 0 H ASP A 511 -3.665 10.278 5.645 1.00 0.62 H new ATOM 0 HA ASP A 511 -3.038 9.028 2.996 1.00 0.62 H new ATOM 0 HB2 ASP A 511 -3.862 11.618 3.202 1.00 0.62 H new ATOM 0 HB3 ASP A 511 -2.177 11.804 3.646 1.00 0.62 H new ATOM 1291 N LEU A 512 -1.159 8.258 4.574 1.00 0.38 N ATOM 1292 CA LEU A 512 -0.073 7.858 5.438 1.00 0.38 C ATOM 1293 C LEU A 512 1.205 7.758 4.680 1.00 0.38 C ATOM 1294 O LEU A 512 1.412 6.835 3.898 1.00 0.38 O ATOM 1295 CB LEU A 512 -0.403 6.579 6.170 1.00 0.38 C ATOM 1296 CG LEU A 512 -1.627 6.830 7.056 1.00 0.38 C ATOM 1297 CD1 LEU A 512 -2.688 5.847 6.602 1.00 0.38 C ATOM 1298 CD2 LEU A 512 -1.271 6.865 8.541 1.00 0.38 C ATOM 0 H LEU A 512 -1.495 7.526 3.948 1.00 0.38 H new ATOM 0 HA LEU A 512 0.063 8.632 6.194 1.00 0.38 H new ATOM 0 HB2 LEU A 512 -0.607 5.778 5.460 1.00 0.38 H new ATOM 0 HB3 LEU A 512 0.445 6.260 6.776 1.00 0.38 H new ATOM 0 HG LEU A 512 -2.047 7.829 6.937 1.00 0.38 H new ATOM 0 HD11 LEU A 512 -3.588 5.981 7.202 1.00 0.38 H new ATOM 0 HD12 LEU A 512 -2.922 6.023 5.552 1.00 0.38 H new ATOM 0 HD13 LEU A 512 -2.318 4.829 6.725 1.00 0.38 H new ATOM 0 HD21 LEU A 512 -2.172 7.046 9.127 1.00 0.38 H new ATOM 0 HD22 LEU A 512 -0.834 5.910 8.833 1.00 0.38 H new ATOM 0 HD23 LEU A 512 -0.553 7.664 8.724 1.00 0.38 H new ATOM 1310 N VAL A 513 2.106 8.736 4.893 1.00 0.38 N ATOM 1311 CA VAL A 513 3.369 8.814 4.203 1.00 0.38 C ATOM 1312 C VAL A 513 4.530 8.212 4.982 1.00 0.38 C ATOM 1313 O VAL A 513 4.540 8.123 6.214 1.00 0.38 O ATOM 1314 CB VAL A 513 3.684 10.184 3.650 1.00 0.38 C ATOM 1315 CG1 VAL A 513 2.637 10.626 2.599 1.00 0.38 C ATOM 1316 CG2 VAL A 513 3.883 11.176 4.787 1.00 0.38 C ATOM 0 H VAL A 513 1.958 9.493 5.560 1.00 0.38 H new ATOM 0 HA VAL A 513 3.236 8.175 3.330 1.00 0.38 H new ATOM 0 HB VAL A 513 4.628 10.146 3.106 1.00 0.38 H new ATOM 0 HG11 VAL A 513 2.895 11.616 2.222 1.00 0.38 H new ATOM 0 HG12 VAL A 513 2.628 9.915 1.773 1.00 0.38 H new ATOM 0 HG13 VAL A 513 1.650 10.659 3.060 1.00 0.38 H new ATOM 0 HG21 VAL A 513 4.109 12.160 4.376 1.00 0.38 H new ATOM 0 HG22 VAL A 513 2.973 11.233 5.384 1.00 0.38 H new ATOM 0 HG23 VAL A 513 4.710 10.847 5.417 1.00 0.38 H new ATOM 1326 N TRP A 514 5.550 7.791 4.209 1.00 0.57 N ATOM 1327 CA TRP A 514 6.808 7.216 4.671 1.00 0.57 C ATOM 1328 C TRP A 514 7.990 8.056 4.183 1.00 0.57 C ATOM 1329 O TRP A 514 7.912 8.787 3.197 1.00 0.57 O ATOM 1330 CB TRP A 514 6.857 5.709 4.327 1.00 0.57 C ATOM 1331 CG TRP A 514 8.150 4.966 4.573 1.00 0.57 C ATOM 1332 CD1 TRP A 514 9.092 4.787 3.627 1.00 0.57 C ATOM 1333 CD2 TRP A 514 8.673 4.374 5.772 1.00 0.57 C ATOM 1334 NE1 TRP A 514 10.102 3.994 4.094 1.00 0.57 N ATOM 1335 CE2 TRP A 514 9.902 3.774 5.425 1.00 0.57 C ATOM 1336 CE3 TRP A 514 8.196 4.318 7.065 1.00 0.57 C ATOM 1337 CZ2 TRP A 514 10.669 3.097 6.368 1.00 0.57 C ATOM 1338 CZ3 TRP A 514 8.929 3.543 7.969 1.00 0.57 C ATOM 1339 CH2 TRP A 514 10.135 2.930 7.638 1.00 0.57 C ATOM 0 H TRP A 514 5.506 7.850 3.192 1.00 0.57 H new ATOM 0 HA TRP A 514 6.882 7.255 5.758 1.00 0.57 H new ATOM 0 HB2 TRP A 514 6.072 5.211 4.897 1.00 0.57 H new ATOM 0 HB3 TRP A 514 6.604 5.599 3.272 1.00 0.57 H new ATOM 0 HD1 TRP A 514 9.054 5.212 2.635 1.00 0.57 H new ATOM 0 HE1 TRP A 514 10.876 3.628 3.540 1.00 0.57 H new ATOM 0 HE3 TRP A 514 7.302 4.846 7.364 1.00 0.57 H new ATOM 0 HZ2 TRP A 514 11.648 2.714 6.120 1.00 0.57 H new ATOM 0 HZ3 TRP A 514 8.542 3.414 8.969 1.00 0.57 H new ATOM 0 HH2 TRP A 514 10.653 2.326 8.368 1.00 0.57 H new ATOM 1350 N LYS A 515 9.088 7.971 4.991 1.00 0.60 N ATOM 1351 CA LYS A 515 10.328 8.740 4.948 1.00 0.60 C ATOM 1352 C LYS A 515 11.461 8.160 4.115 1.00 0.60 C ATOM 1353 O LYS A 515 12.096 8.862 3.330 1.00 0.60 O ATOM 1354 CB LYS A 515 10.834 9.011 6.394 1.00 0.60 C ATOM 1355 CG LYS A 515 9.840 9.860 7.207 1.00 0.60 C ATOM 1356 CD LYS A 515 10.262 10.079 8.670 1.00 0.60 C ATOM 1357 CE LYS A 515 11.539 10.916 8.839 1.00 0.60 C ATOM 1358 NZ LYS A 515 11.847 11.129 10.273 1.00 0.60 N ATOM 0 H LYS A 515 9.109 7.293 5.753 1.00 0.60 H new ATOM 0 HA LYS A 515 10.052 9.660 4.433 1.00 0.60 H new ATOM 0 HB2 LYS A 515 11.000 8.062 6.903 1.00 0.60 H new ATOM 0 HB3 LYS A 515 11.796 9.522 6.351 1.00 0.60 H new ATOM 0 HG2 LYS A 515 9.724 10.830 6.723 1.00 0.60 H new ATOM 0 HG3 LYS A 515 8.864 9.376 7.189 1.00 0.60 H new ATOM 0 HD2 LYS A 515 9.447 10.569 9.202 1.00 0.60 H new ATOM 0 HD3 LYS A 515 10.412 9.108 9.142 1.00 0.60 H new ATOM 0 HE2 LYS A 515 12.375 10.412 8.354 1.00 0.60 H new ATOM 0 HE3 LYS A 515 11.416 11.879 8.343 1.00 0.60 H new ATOM 0 HZ1 LYS A 515 12.714 11.697 10.361 1.00 0.60 H new ATOM 0 HZ2 LYS A 515 11.057 11.630 10.727 1.00 0.60 H new ATOM 0 HZ3 LYS A 515 11.987 10.209 10.738 1.00 0.60 H new ATOM 1372 N ALA A 516 11.746 6.839 4.291 1.00 0.54 N ATOM 1373 CA ALA A 516 12.860 6.092 3.677 1.00 0.54 C ATOM 1374 C ALA A 516 12.586 5.578 2.256 1.00 0.54 C ATOM 1375 O ALA A 516 13.326 4.786 1.675 1.00 0.54 O ATOM 1376 CB ALA A 516 13.350 4.973 4.621 1.00 0.54 C ATOM 0 H ALA A 516 11.174 6.247 4.894 1.00 0.54 H new ATOM 0 HA ALA A 516 13.665 6.815 3.543 1.00 0.54 H new ATOM 0 HB1 ALA A 516 14.172 4.434 4.150 1.00 0.54 H new ATOM 0 HB2 ALA A 516 13.694 5.412 5.558 1.00 0.54 H new ATOM 0 HB3 ALA A 516 12.531 4.282 4.823 1.00 0.54 H new ATOM 1382 N GLN A 517 11.461 6.081 1.708 1.00 0.69 N ATOM 1383 CA GLN A 517 10.942 5.920 0.392 1.00 0.69 C ATOM 1384 C GLN A 517 10.250 7.260 0.307 1.00 0.69 C ATOM 1385 O GLN A 517 9.086 7.402 0.670 1.00 0.69 O ATOM 1386 CB GLN A 517 10.036 4.688 0.233 1.00 0.69 C ATOM 1387 CG GLN A 517 10.255 4.001 -1.119 1.00 0.69 C ATOM 1388 CD GLN A 517 8.956 3.660 -1.822 1.00 0.69 C ATOM 1389 OE1 GLN A 517 7.844 3.696 -1.298 1.00 0.69 O ATOM 1390 NE2 GLN A 517 9.140 3.251 -3.096 1.00 0.69 N ATOM 0 H GLN A 517 10.846 6.673 2.266 1.00 0.69 H new ATOM 0 HA GLN A 517 11.655 5.712 -0.406 1.00 0.69 H new ATOM 0 HB2 GLN A 517 10.236 3.981 1.038 1.00 0.69 H new ATOM 0 HB3 GLN A 517 8.992 4.988 0.325 1.00 0.69 H new ATOM 0 HG2 GLN A 517 10.850 4.652 -1.760 1.00 0.69 H new ATOM 0 HG3 GLN A 517 10.832 3.088 -0.968 1.00 0.69 H new ATOM 0 HE21 GLN A 517 10.078 3.235 -3.496 1.00 0.69 H new ATOM 0 HE22 GLN A 517 8.341 2.958 -3.658 1.00 0.69 H new ATOM 1520 N ARG A 527 6.480 -2.973 -5.905 1.00 0.46 N ATOM 1521 CA ARG A 527 5.853 -4.190 -5.441 1.00 0.46 C ATOM 1522 C ARG A 527 5.535 -3.922 -3.995 1.00 0.46 C ATOM 1523 O ARG A 527 6.431 -3.540 -3.239 1.00 0.46 O ATOM 1524 CB ARG A 527 6.852 -5.388 -5.551 1.00 0.46 C ATOM 1525 CG ARG A 527 7.647 -5.454 -6.874 1.00 0.46 C ATOM 1526 CD ARG A 527 8.640 -6.623 -6.926 1.00 0.46 C ATOM 1527 NE ARG A 527 9.371 -6.545 -8.240 1.00 0.46 N ATOM 1528 CZ ARG A 527 10.542 -7.207 -8.501 1.00 0.46 C ATOM 1529 NH1 ARG A 527 11.123 -8.004 -7.557 1.00 0.46 N ATOM 1530 NH2 ARG A 527 11.140 -7.057 -9.719 1.00 0.46 N ATOM 0 HA ARG A 527 4.970 -4.450 -6.025 1.00 0.46 H new ATOM 0 HB2 ARG A 527 7.558 -5.330 -4.723 1.00 0.46 H new ATOM 0 HB3 ARG A 527 6.296 -6.318 -5.432 1.00 0.46 H new ATOM 0 HG2 ARG A 527 6.948 -5.542 -7.706 1.00 0.46 H new ATOM 0 HG3 ARG A 527 8.190 -4.519 -7.011 1.00 0.46 H new ATOM 0 HD2 ARG A 527 9.342 -6.566 -6.094 1.00 0.46 H new ATOM 0 HD3 ARG A 527 8.116 -7.574 -6.836 1.00 0.46 H new ATOM 0 HE ARG A 527 8.971 -5.966 -8.979 1.00 0.46 H new ATOM 0 HH11 ARG A 527 10.685 -8.113 -6.642 1.00 0.46 H new ATOM 0 HH12 ARG A 527 11.995 -8.490 -7.767 1.00 0.46 H new ATOM 0 HH21 ARG A 527 10.715 -6.456 -10.425 1.00 0.46 H new ATOM 0 HH22 ARG A 527 12.012 -7.546 -9.923 1.00 0.46 H new ATOM 1544 N THR A 528 4.256 -4.052 -3.570 1.00 0.24 N ATOM 1545 CA THR A 528 3.862 -3.786 -2.194 1.00 0.24 C ATOM 1546 C THR A 528 2.791 -4.754 -1.823 1.00 0.24 C ATOM 1547 O THR A 528 1.898 -5.076 -2.601 1.00 0.24 O ATOM 1548 CB THR A 528 3.315 -2.372 -1.975 1.00 0.24 C ATOM 1549 OG1 THR A 528 4.295 -1.437 -2.379 1.00 0.24 O ATOM 1550 CG2 THR A 528 2.953 -2.049 -0.509 1.00 0.24 C ATOM 0 H THR A 528 3.487 -4.342 -4.174 1.00 0.24 H new ATOM 0 HA THR A 528 4.756 -3.887 -1.579 1.00 0.24 H new ATOM 0 HB THR A 528 2.397 -2.313 -2.560 1.00 0.24 H new ATOM 0 HG1 THR A 528 4.032 -0.540 -2.085 1.00 0.24 H new ATOM 0 HG21 THR A 528 2.574 -1.029 -0.444 1.00 0.24 H new ATOM 0 HG22 THR A 528 2.188 -2.743 -0.162 1.00 0.24 H new ATOM 0 HG23 THR A 528 3.841 -2.146 0.115 1.00 0.24 H new ATOM 1558 N ALA A 529 2.808 -5.181 -0.551 1.00 0.22 N ATOM 1559 CA ALA A 529 1.734 -5.946 0.016 1.00 0.22 C ATOM 1560 C ALA A 529 1.584 -5.451 1.436 1.00 0.22 C ATOM 1561 O ALA A 529 2.579 -5.227 2.132 1.00 0.22 O ATOM 1562 CB ALA A 529 2.039 -7.457 -0.051 1.00 0.22 C ATOM 0 H ALA A 529 3.574 -4.996 0.096 1.00 0.22 H new ATOM 0 HA ALA A 529 0.803 -5.815 -0.535 1.00 0.22 H new ATOM 0 HB1 ALA A 529 1.210 -8.015 0.385 1.00 0.22 H new ATOM 0 HB2 ALA A 529 2.171 -7.756 -1.091 1.00 0.22 H new ATOM 0 HB3 ALA A 529 2.952 -7.669 0.506 1.00 0.22 H new ATOM 1568 N LEU A 530 0.320 -5.293 1.926 1.00 0.44 N ATOM 1569 CA LEU A 530 -0.003 -4.960 3.301 1.00 0.44 C ATOM 1570 C LEU A 530 -0.313 -6.271 4.059 1.00 0.44 C ATOM 1571 O LEU A 530 -1.002 -7.177 3.563 1.00 0.44 O ATOM 1572 CB LEU A 530 -1.159 -3.890 3.269 1.00 0.44 C ATOM 1573 CG LEU A 530 -1.866 -3.438 4.576 1.00 0.44 C ATOM 1574 CD1 LEU A 530 -3.082 -4.345 4.858 1.00 0.44 C ATOM 1575 CD2 LEU A 530 -0.940 -3.315 5.787 1.00 0.44 C ATOM 0 H LEU A 530 -0.508 -5.402 1.340 1.00 0.44 H new ATOM 0 HA LEU A 530 0.818 -4.500 3.852 1.00 0.44 H new ATOM 0 HB2 LEU A 530 -0.752 -2.994 2.800 1.00 0.44 H new ATOM 0 HB3 LEU A 530 -1.932 -4.275 2.604 1.00 0.44 H new ATOM 0 HG LEU A 530 -2.214 -2.419 4.406 1.00 0.44 H new ATOM 0 HD11 LEU A 530 -3.572 -4.021 5.776 1.00 0.44 H new ATOM 0 HD12 LEU A 530 -3.786 -4.279 4.028 1.00 0.44 H new ATOM 0 HD13 LEU A 530 -2.748 -5.377 4.969 1.00 0.44 H new ATOM 0 HD21 LEU A 530 -1.517 -2.995 6.655 1.00 0.44 H new ATOM 0 HD22 LEU A 530 -0.480 -4.282 5.993 1.00 0.44 H new ATOM 0 HD23 LEU A 530 -0.162 -2.581 5.577 1.00 0.44 H new ATOM 1587 N ILE A 531 0.200 -6.351 5.337 1.00 0.48 N ATOM 1588 CA ILE A 531 -0.013 -7.356 6.367 1.00 0.48 C ATOM 1589 C ILE A 531 -1.040 -6.688 7.236 1.00 0.48 C ATOM 1590 O ILE A 531 -0.750 -5.588 7.725 1.00 0.48 O ATOM 1591 CB ILE A 531 1.207 -7.645 7.264 1.00 0.48 C ATOM 1592 CG1 ILE A 531 2.477 -7.953 6.469 1.00 0.48 C ATOM 1593 CG2 ILE A 531 0.922 -8.808 8.220 1.00 0.48 C ATOM 1594 CD1 ILE A 531 2.340 -9.005 5.362 1.00 0.48 C ATOM 0 H ILE A 531 0.833 -5.625 5.673 1.00 0.48 H new ATOM 0 HA ILE A 531 -0.269 -8.312 5.911 1.00 0.48 H new ATOM 0 HB ILE A 531 1.381 -6.730 7.830 1.00 0.48 H new ATOM 0 HG12 ILE A 531 2.834 -7.026 6.020 1.00 0.48 H new ATOM 0 HG13 ILE A 531 3.246 -8.286 7.166 1.00 0.48 H new ATOM 0 HG21 ILE A 531 1.799 -8.991 8.841 1.00 0.48 H new ATOM 0 HG22 ILE A 531 0.073 -8.557 8.855 1.00 0.48 H new ATOM 0 HG23 ILE A 531 0.692 -9.704 7.644 1.00 0.48 H new ATOM 0 HD11 ILE A 531 3.302 -9.140 4.868 1.00 0.48 H new ATOM 0 HD12 ILE A 531 2.019 -9.952 5.797 1.00 0.48 H new ATOM 0 HD13 ILE A 531 1.601 -8.672 4.633 1.00 0.48 H new ATOM 1606 N ASN A 532 -2.217 -7.364 7.413 1.00 0.42 N ATOM 1607 CA ASN A 532 -3.431 -7.005 8.139 1.00 0.42 C ATOM 1608 C ASN A 532 -3.253 -6.593 9.603 1.00 0.42 C ATOM 1609 O ASN A 532 -2.184 -6.291 10.123 1.00 0.42 O ATOM 1610 CB ASN A 532 -4.528 -8.142 8.020 1.00 0.42 C ATOM 1611 CG ASN A 532 -4.386 -9.354 8.969 1.00 0.42 C ATOM 1612 OD1 ASN A 532 -3.326 -9.560 9.556 1.00 0.42 O ATOM 1613 ND2 ASN A 532 -5.478 -10.117 9.206 1.00 0.42 N ATOM 0 H ASN A 532 -2.327 -8.285 6.988 1.00 0.42 H new ATOM 0 HA ASN A 532 -3.765 -6.097 7.638 1.00 0.42 H new ATOM 0 HB2 ASN A 532 -5.505 -7.690 8.191 1.00 0.42 H new ATOM 0 HB3 ASN A 532 -4.523 -8.512 6.995 1.00 0.42 H new ATOM 0 HD21 ASN A 532 -5.431 -10.879 9.882 1.00 0.42 H new ATOM 0 HD22 ASN A 532 -6.349 -9.930 8.709 1.00 0.42 H new ATOM 1620 N SER A 533 -4.360 -6.650 10.364 1.00 0.53 N ATOM 1621 CA SER A 533 -4.400 -6.429 11.789 1.00 0.53 C ATOM 1622 C SER A 533 -3.972 -7.609 12.712 1.00 0.53 C ATOM 1623 O SER A 533 -3.960 -7.438 13.929 1.00 0.53 O ATOM 1624 CB SER A 533 -5.870 -6.080 12.160 1.00 0.53 C ATOM 1625 OG SER A 533 -6.839 -6.944 11.553 1.00 0.53 O ATOM 0 H SER A 533 -5.278 -6.861 9.972 1.00 0.53 H new ATOM 0 HA SER A 533 -3.665 -5.644 11.968 1.00 0.53 H new ATOM 0 HB2 SER A 533 -5.983 -6.127 13.243 1.00 0.53 H new ATOM 0 HB3 SER A 533 -6.076 -5.052 11.862 1.00 0.53 H new ATOM 0 HG SER A 533 -7.739 -6.671 11.829 1.00 0.53 H new ATOM 1631 N THR A 534 -3.679 -8.829 12.180 1.00 0.57 N ATOM 1632 CA THR A 534 -3.365 -10.044 12.980 1.00 0.57 C ATOM 1633 C THR A 534 -2.086 -10.736 12.522 1.00 0.57 C ATOM 1634 O THR A 534 -1.709 -11.788 13.034 1.00 0.57 O ATOM 1635 CB THR A 534 -4.496 -11.099 13.049 1.00 0.57 C ATOM 1636 OG1 THR A 534 -4.935 -11.555 11.768 1.00 0.57 O ATOM 1637 CG2 THR A 534 -5.724 -10.523 13.770 1.00 0.57 C ATOM 0 H THR A 534 -3.654 -8.996 11.174 1.00 0.57 H new ATOM 0 HA THR A 534 -3.235 -9.640 13.984 1.00 0.57 H new ATOM 0 HB THR A 534 -4.066 -11.943 13.589 1.00 0.57 H new ATOM 0 HG1 THR A 534 -4.909 -12.534 11.743 1.00 0.57 H new ATOM 0 HG21 THR A 534 -6.510 -11.277 13.810 1.00 0.57 H new ATOM 0 HG22 THR A 534 -5.448 -10.233 14.784 1.00 0.57 H new ATOM 0 HG23 THR A 534 -6.087 -9.649 13.229 1.00 0.57 H new ATOM 1645 N GLY A 535 -1.435 -10.150 11.496 1.00 0.49 N ATOM 1646 CA GLY A 535 -0.241 -10.592 10.789 1.00 0.49 C ATOM 1647 C GLY A 535 -0.445 -11.596 9.678 1.00 0.49 C ATOM 1648 O GLY A 535 0.355 -12.502 9.477 1.00 0.49 O ATOM 0 H GLY A 535 -1.776 -9.268 11.113 1.00 0.49 H new ATOM 0 HA2 GLY A 535 0.251 -9.714 10.369 1.00 0.49 H new ATOM 0 HA3 GLY A 535 0.446 -11.024 11.517 1.00 0.49 H new ATOM 1652 N GLU A 536 -1.527 -11.433 8.889 1.00 0.56 N ATOM 1653 CA GLU A 536 -1.878 -12.186 7.717 1.00 0.56 C ATOM 1654 C GLU A 536 -1.783 -11.192 6.595 1.00 0.56 C ATOM 1655 O GLU A 536 -2.357 -10.110 6.667 1.00 0.56 O ATOM 1656 CB GLU A 536 -3.324 -12.734 7.723 1.00 0.56 C ATOM 1657 CG GLU A 536 -3.459 -13.882 8.730 1.00 0.56 C ATOM 1658 CD GLU A 536 -4.929 -14.177 9.008 1.00 0.56 C ATOM 1659 OE1 GLU A 536 -5.672 -14.459 8.030 1.00 0.56 O ATOM 1660 OE2 GLU A 536 -5.331 -14.131 10.201 1.00 0.56 O ATOM 0 H GLU A 536 -2.217 -10.709 9.090 1.00 0.56 H new ATOM 0 HA GLU A 536 -1.223 -13.054 7.641 1.00 0.56 H new ATOM 0 HB2 GLU A 536 -4.021 -11.935 7.978 1.00 0.56 H new ATOM 0 HB3 GLU A 536 -3.591 -13.084 6.726 1.00 0.56 H new ATOM 0 HG2 GLU A 536 -2.970 -14.775 8.341 1.00 0.56 H new ATOM 0 HG3 GLU A 536 -2.952 -13.621 9.659 1.00 0.56 H new ATOM 1667 N GLU A 537 -1.103 -11.569 5.502 1.00 0.57 N ATOM 1668 CA GLU A 537 -1.030 -10.827 4.241 1.00 0.57 C ATOM 1669 C GLU A 537 -2.356 -10.911 3.503 1.00 0.57 C ATOM 1670 O GLU A 537 -2.837 -11.972 3.106 1.00 0.57 O ATOM 1671 CB GLU A 537 0.108 -11.280 3.314 1.00 0.57 C ATOM 1672 CG GLU A 537 0.437 -10.255 2.209 1.00 0.57 C ATOM 1673 CD GLU A 537 1.514 -10.812 1.283 1.00 0.57 C ATOM 1674 OE1 GLU A 537 2.650 -11.055 1.773 1.00 0.57 O ATOM 1675 OE2 GLU A 537 1.219 -10.995 0.071 1.00 0.57 O ATOM 0 H GLU A 537 -0.567 -12.437 5.475 1.00 0.57 H new ATOM 0 HA GLU A 537 -0.811 -9.795 4.516 1.00 0.57 H new ATOM 0 HB2 GLU A 537 1.002 -11.462 3.910 1.00 0.57 H new ATOM 0 HB3 GLU A 537 -0.165 -12.228 2.851 1.00 0.57 H new ATOM 0 HG2 GLU A 537 -0.462 -10.024 1.637 1.00 0.57 H new ATOM 0 HG3 GLU A 537 0.778 -9.322 2.657 1.00 0.57 H new ATOM 1682 N VAL A 538 -2.988 -9.734 3.388 1.00 0.44 N ATOM 1683 CA VAL A 538 -4.332 -9.563 2.847 1.00 0.44 C ATOM 1684 C VAL A 538 -4.356 -8.971 1.467 1.00 0.44 C ATOM 1685 O VAL A 538 -4.692 -9.658 0.512 1.00 0.44 O ATOM 1686 CB VAL A 538 -5.312 -8.927 3.844 1.00 0.44 C ATOM 1687 CG1 VAL A 538 -5.451 -9.859 5.072 1.00 0.44 C ATOM 1688 CG2 VAL A 538 -4.927 -7.492 4.252 1.00 0.44 C ATOM 0 H VAL A 538 -2.561 -8.854 3.679 1.00 0.44 H new ATOM 0 HA VAL A 538 -4.721 -10.570 2.700 1.00 0.44 H new ATOM 0 HB VAL A 538 -6.278 -8.824 3.349 1.00 0.44 H new ATOM 0 HG11 VAL A 538 -6.145 -9.417 5.787 1.00 0.44 H new ATOM 0 HG12 VAL A 538 -5.829 -10.830 4.751 1.00 0.44 H new ATOM 0 HG13 VAL A 538 -4.477 -9.987 5.544 1.00 0.44 H new ATOM 0 HG21 VAL A 538 -5.662 -7.105 4.957 1.00 0.44 H new ATOM 0 HG22 VAL A 538 -3.943 -7.499 4.721 1.00 0.44 H new ATOM 0 HG23 VAL A 538 -4.903 -6.856 3.367 1.00 0.44 H new ATOM 1698 N ALA A 539 -4.023 -7.677 1.345 1.00 0.31 N ATOM 1699 CA ALA A 539 -4.112 -6.870 0.141 1.00 0.31 C ATOM 1700 C ALA A 539 -2.772 -6.470 -0.427 1.00 0.31 C ATOM 1701 O ALA A 539 -1.944 -5.793 0.194 1.00 0.31 O ATOM 1702 CB ALA A 539 -5.065 -5.694 0.355 1.00 0.31 C ATOM 0 H ALA A 539 -3.664 -7.144 2.137 1.00 0.31 H new ATOM 0 HA ALA A 539 -4.540 -7.500 -0.639 1.00 0.31 H new ATOM 0 HB1 ALA A 539 -5.120 -5.100 -0.557 1.00 0.31 H new ATOM 0 HB2 ALA A 539 -6.057 -6.070 0.603 1.00 0.31 H new ATOM 0 HB3 ALA A 539 -4.698 -5.072 1.172 1.00 0.31 H new ATOM 1708 N MET A 540 -2.555 -6.953 -1.669 1.00 0.46 N ATOM 1709 CA MET A 540 -1.352 -6.869 -2.466 1.00 0.46 C ATOM 1710 C MET A 540 -1.542 -6.107 -3.770 1.00 0.46 C ATOM 1711 O MET A 540 -2.592 -6.191 -4.408 1.00 0.46 O ATOM 1712 CB MET A 540 -0.875 -8.350 -2.643 1.00 0.46 C ATOM 1713 CG MET A 540 -0.877 -9.059 -4.025 1.00 0.46 C ATOM 1714 SD MET A 540 0.738 -9.685 -4.576 1.00 0.46 S ATOM 1715 CE MET A 540 1.360 -8.090 -5.171 1.00 0.46 C ATOM 0 H MET A 540 -3.293 -7.452 -2.166 1.00 0.46 H new ATOM 0 HA MET A 540 -0.582 -6.275 -1.973 1.00 0.46 H new ATOM 0 HB2 MET A 540 0.147 -8.397 -2.268 1.00 0.46 H new ATOM 0 HB3 MET A 540 -1.487 -8.958 -1.977 1.00 0.46 H new ATOM 0 HG2 MET A 540 -1.578 -9.893 -3.987 1.00 0.46 H new ATOM 0 HG3 MET A 540 -1.253 -8.361 -4.773 1.00 0.46 H new ATOM 0 HE1 MET A 540 2.367 -8.218 -5.569 1.00 0.46 H new ATOM 0 HE2 MET A 540 0.704 -7.714 -5.956 1.00 0.46 H new ATOM 0 HE3 MET A 540 1.384 -7.378 -4.346 1.00 0.46 H new ATOM 1725 N ARG A 541 -0.492 -5.354 -4.200 1.00 0.63 N ATOM 1726 CA ARG A 541 -0.376 -4.616 -5.439 1.00 0.63 C ATOM 1727 C ARG A 541 1.016 -4.756 -6.040 1.00 0.63 C ATOM 1728 O ARG A 541 2.040 -4.805 -5.350 1.00 0.63 O ATOM 1729 CB ARG A 541 -0.662 -3.100 -5.263 1.00 0.63 C ATOM 1730 CG ARG A 541 -0.024 -2.397 -4.040 1.00 0.63 C ATOM 1731 CD ARG A 541 -0.905 -2.480 -2.779 1.00 0.63 C ATOM 1732 NE ARG A 541 -0.204 -1.910 -1.584 1.00 0.63 N ATOM 1733 CZ ARG A 541 -0.719 -2.033 -0.318 1.00 0.63 C ATOM 1734 NH1 ARG A 541 -1.852 -2.756 -0.095 1.00 0.63 N ATOM 1735 NH2 ARG A 541 -0.104 -1.401 0.723 1.00 0.63 N ATOM 0 H ARG A 541 0.347 -5.256 -3.628 1.00 0.63 H new ATOM 0 HA ARG A 541 -1.126 -5.048 -6.102 1.00 0.63 H new ATOM 0 HB2 ARG A 541 -0.324 -2.586 -6.163 1.00 0.63 H new ATOM 0 HB3 ARG A 541 -1.742 -2.964 -5.205 1.00 0.63 H new ATOM 0 HG2 ARG A 541 0.945 -2.849 -3.831 1.00 0.63 H new ATOM 0 HG3 ARG A 541 0.158 -1.350 -4.282 1.00 0.63 H new ATOM 0 HD2 ARG A 541 -1.837 -1.940 -2.948 1.00 0.63 H new ATOM 0 HD3 ARG A 541 -1.170 -3.520 -2.586 1.00 0.63 H new ATOM 0 HE ARG A 541 0.680 -1.417 -1.715 1.00 0.63 H new ATOM 0 HH11 ARG A 541 -2.327 -3.213 -0.874 1.00 0.63 H new ATOM 0 HH12 ARG A 541 -2.225 -2.840 0.850 1.00 0.63 H new ATOM 0 HH21 ARG A 541 0.733 -0.842 0.557 1.00 0.63 H new ATOM 0 HH22 ARG A 541 -0.481 -1.488 1.667 1.00 0.63 H new ATOM 1749 N LYS A 542 1.079 -4.778 -7.393 1.00 0.41 N ATOM 1750 CA LYS A 542 2.322 -4.827 -8.130 1.00 0.41 C ATOM 1751 C LYS A 542 2.123 -4.000 -9.390 1.00 0.41 C ATOM 1752 O LYS A 542 1.254 -4.286 -10.222 1.00 0.41 O ATOM 1753 CB LYS A 542 2.728 -6.292 -8.435 1.00 0.41 C ATOM 1754 CG LYS A 542 4.232 -6.574 -8.581 1.00 0.41 C ATOM 1755 CD LYS A 542 4.445 -8.071 -8.870 1.00 0.41 C ATOM 1756 CE LYS A 542 5.900 -8.546 -8.809 1.00 0.41 C ATOM 1757 NZ LYS A 542 6.731 -7.886 -9.836 1.00 0.41 N ATOM 0 H LYS A 542 0.251 -4.761 -7.989 1.00 0.41 H new ATOM 0 HA LYS A 542 3.145 -4.413 -7.548 1.00 0.41 H new ATOM 0 HB2 LYS A 542 2.338 -6.926 -7.639 1.00 0.41 H new ATOM 0 HB3 LYS A 542 2.233 -6.598 -9.357 1.00 0.41 H new ATOM 0 HG2 LYS A 542 4.649 -5.973 -9.389 1.00 0.41 H new ATOM 0 HG3 LYS A 542 4.757 -6.290 -7.669 1.00 0.41 H new ATOM 0 HD2 LYS A 542 3.860 -8.650 -8.155 1.00 0.41 H new ATOM 0 HD3 LYS A 542 4.048 -8.294 -9.860 1.00 0.41 H new ATOM 0 HE2 LYS A 542 6.310 -8.339 -7.820 1.00 0.41 H new ATOM 0 HE3 LYS A 542 5.937 -9.626 -8.949 1.00 0.41 H new ATOM 0 HZ1 LYS A 542 7.709 -8.231 -9.765 1.00 0.41 H new ATOM 0 HZ2 LYS A 542 6.354 -8.104 -10.780 1.00 0.41 H new ATOM 0 HZ3 LYS A 542 6.715 -6.857 -9.686 1.00 0.41 H new ATOM 1771 N LEU A 543 2.954 -2.934 -9.548 1.00 0.31 N ATOM 1772 CA LEU A 543 2.978 -2.058 -10.716 1.00 0.31 C ATOM 1773 C LEU A 543 4.385 -2.192 -11.235 1.00 0.31 C ATOM 1774 O LEU A 543 5.363 -2.068 -10.489 1.00 0.31 O ATOM 1775 CB LEU A 543 2.607 -0.599 -10.416 1.00 0.31 C ATOM 1776 CG LEU A 543 1.201 -0.444 -9.800 1.00 0.31 C ATOM 1777 CD1 LEU A 543 0.863 1.017 -9.521 1.00 0.31 C ATOM 1778 CD2 LEU A 543 0.109 -0.945 -10.745 1.00 0.31 C ATOM 0 H LEU A 543 3.637 -2.667 -8.839 1.00 0.31 H new ATOM 0 HA LEU A 543 2.221 -2.351 -11.444 1.00 0.31 H new ATOM 0 HB2 LEU A 543 3.344 -0.176 -9.733 1.00 0.31 H new ATOM 0 HB3 LEU A 543 2.658 -0.021 -11.339 1.00 0.31 H new ATOM 0 HG LEU A 543 1.228 -1.028 -8.880 1.00 0.31 H new ATOM 0 HD11 LEU A 543 -0.135 1.083 -9.088 1.00 0.31 H new ATOM 0 HD12 LEU A 543 1.590 1.432 -8.823 1.00 0.31 H new ATOM 0 HD13 LEU A 543 0.892 1.582 -10.453 1.00 0.31 H new ATOM 0 HD21 LEU A 543 -0.866 -0.818 -10.274 1.00 0.31 H new ATOM 0 HD22 LEU A 543 0.141 -0.374 -11.673 1.00 0.31 H new ATOM 0 HD23 LEU A 543 0.272 -2.000 -10.963 1.00 0.31 H new