USER MOD reduce.3.24.130724 H: found=0, std=0, add=743, rem=0, adj=20 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= 0.228 K(o=1.4,f=-0.75) USER MOD Set 1.2: A 534 THR OG1 : rot -79:sc= 1.16 USER MOD Set 2.1: A 505 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 507 SER OG : rot 14:sc= -0.1 USER MOD Set 3.1: A 468 GLN : amide:sc= 0.281 K(o=0.76,f=-4.3!) USER MOD Set 3.2: A 470 LYS NZ :NH3+ -118:sc= 0.274 (180deg=-0.00485) USER MOD Set 3.3: A 480 THR OG1 : rot 9:sc= 0.202 USER MOD Set 4.1: A 463 SER OG : rot 180:sc= 0 USER MOD Set 4.2: A 488 THR OG1 : rot 180:sc= 0 USER MOD Single : A 436 THR OG1 : rot -94:sc= -0.495 USER MOD Single : A 437 SER OG : rot -79:sc= 0.783 USER MOD Single : A 456 ASN : amide:sc= -3.03! C(o=-3!,f=-8.5!) USER MOD Single : A 457 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0353) USER MOD Single : A 458 SER OG : rot 180:sc= 0.0305 USER MOD Single : A 459 ASN : amide:sc= 0.0955 K(o=0.095,f=-2.5!) USER MOD Single : A 462 GLN : amide:sc= -0.283 X(o=-0.28,f=-0.49) USER MOD Single : A 464 MET CE :methyl 166:sc= -3.48 (180deg=-4.32) USER MOD Single : A 466 ASN : amide:sc= -0.0325 X(o=-0.032,f=0) USER MOD Single : A 472 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 481 TYR OH : rot 180:sc= 0 USER MOD Single : A 486 LYS NZ :NH3+ -172:sc=-0.00288 (180deg=-0.0805) USER MOD Single : A 490 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 493 GLN :FLIP amide:sc= -8.89! C(o=-14!,f=-8.9!) USER MOD Single : A 496 THR OG1 : rot 180:sc= 0 USER MOD Single : A 506 HIS : no HD1:sc= -0.569 K(o=-0.57,f=-2.3!) USER MOD Single : A 510 THR OG1 : rot 7:sc= 1.26 USER MOD Single : A 515 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0234) USER MOD Single : A 517 GLN : amide:sc= 0.219 K(o=0.22,f=-2.9!) USER MOD Single : A 528 THR OG1 : rot 180:sc= 0 USER MOD Single : A 533 SER OG : rot -61:sc= 1.25 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 -3.169 -6.427 -9.124 1.00 0.55 N ATOM 89 CA ALA A 434 -3.309 -6.499 -7.693 1.00 0.55 C ATOM 90 C ALA A 434 -4.106 -7.739 -7.347 1.00 0.55 C ATOM 91 O ALA A 434 -4.896 -8.208 -8.167 1.00 0.55 O ATOM 92 CB ALA A 434 -3.821 -5.181 -7.115 1.00 0.55 C ATOM 0 HA ALA A 434 -2.342 -6.618 -7.203 1.00 0.55 H new ATOM 0 HB1 ALA A 434 -3.915 -5.270 -6.033 1.00 0.55 H new ATOM 0 HB2 ALA A 434 -3.119 -4.382 -7.353 1.00 0.55 H new ATOM 0 HB3 ALA A 434 -4.795 -4.949 -7.546 1.00 0.55 H new ATOM 98 N ARG A 435 -3.919 -8.279 -6.115 1.00 0.93 N ATOM 99 CA ARG A 435 -4.618 -9.422 -5.544 1.00 0.93 C ATOM 100 C ARG A 435 -4.803 -9.116 -4.081 1.00 0.93 C ATOM 101 O ARG A 435 -3.925 -8.602 -3.402 1.00 0.93 O ATOM 102 CB ARG A 435 -3.817 -10.750 -5.658 1.00 0.93 C ATOM 103 CG ARG A 435 -3.590 -11.290 -7.083 1.00 0.93 C ATOM 104 CD ARG A 435 -4.881 -11.677 -7.824 1.00 0.93 C ATOM 105 NE ARG A 435 -4.526 -12.343 -9.130 1.00 0.93 N ATOM 106 CZ ARG A 435 -4.272 -11.674 -10.299 1.00 0.93 C ATOM 107 NH1 ARG A 435 -4.361 -10.316 -10.374 1.00 0.93 N ATOM 108 NH2 ARG A 435 -3.920 -12.384 -11.411 1.00 0.93 N ATOM 0 H ARG A 435 -3.231 -7.893 -5.468 1.00 0.93 H new ATOM 0 HA ARG A 435 -5.553 -9.566 -6.086 1.00 0.93 H new ATOM 0 HB2 ARG A 435 -2.844 -10.604 -5.188 1.00 0.93 H new ATOM 0 HB3 ARG A 435 -4.338 -11.514 -5.081 1.00 0.93 H new ATOM 0 HG2 ARG A 435 -3.062 -10.535 -7.666 1.00 0.93 H new ATOM 0 HG3 ARG A 435 -2.940 -12.163 -7.029 1.00 0.93 H new ATOM 0 HD2 ARG A 435 -5.478 -12.351 -7.210 1.00 0.93 H new ATOM 0 HD3 ARG A 435 -5.488 -10.791 -8.008 1.00 0.93 H new ATOM 0 HE ARG A 435 -4.471 -13.361 -9.144 1.00 0.93 H new ATOM 0 HH11 ARG A 435 -4.621 -9.776 -9.549 1.00 0.93 H new ATOM 0 HH12 ARG A 435 -4.167 -9.840 -11.255 1.00 0.93 H new ATOM 0 HH21 ARG A 435 -3.849 -13.400 -11.366 1.00 0.93 H new ATOM 0 HH22 ARG A 435 -3.728 -11.898 -12.287 1.00 0.93 H new ATOM 122 N THR A 436 -6.018 -9.353 -3.575 1.00 0.95 N ATOM 123 CA THR A 436 -6.443 -8.878 -2.281 1.00 0.95 C ATOM 124 C THR A 436 -7.371 -9.873 -1.619 1.00 0.95 C ATOM 125 O THR A 436 -7.890 -10.774 -2.272 1.00 0.95 O ATOM 126 CB THR A 436 -6.943 -7.475 -2.410 1.00 0.95 C ATOM 127 OG1 THR A 436 -7.260 -6.910 -1.159 1.00 0.95 O ATOM 128 CG2 THR A 436 -8.114 -7.471 -3.365 1.00 0.95 C ATOM 0 H THR A 436 -6.732 -9.888 -4.069 1.00 0.95 H new ATOM 0 HA THR A 436 -5.608 -8.816 -1.583 1.00 0.95 H new ATOM 0 HB THR A 436 -6.154 -6.841 -2.816 1.00 0.95 H new ATOM 0 HG1 THR A 436 -8.213 -7.041 -0.973 1.00 0.95 H new ATOM 0 HG21 THR A 436 -8.493 -6.455 -3.472 1.00 0.95 H new ATOM 0 HG22 THR A 436 -7.791 -7.842 -4.338 1.00 0.95 H new ATOM 0 HG23 THR A 436 -8.904 -8.113 -2.975 1.00 0.95 H new ATOM 136 N SER A 437 -7.599 -9.668 -0.299 1.00 0.67 N ATOM 137 CA SER A 437 -8.506 -10.388 0.601 1.00 0.67 C ATOM 138 C SER A 437 -10.012 -10.289 0.363 1.00 0.67 C ATOM 139 O SER A 437 -10.662 -11.324 0.284 1.00 0.67 O ATOM 140 CB SER A 437 -8.257 -10.010 2.091 1.00 0.67 C ATOM 141 OG SER A 437 -8.191 -8.591 2.287 1.00 0.67 O ATOM 0 H SER A 437 -7.105 -8.927 0.198 1.00 0.67 H new ATOM 0 HA SER A 437 -8.239 -11.417 0.360 1.00 0.67 H new ATOM 0 HB2 SER A 437 -9.056 -10.423 2.707 1.00 0.67 H new ATOM 0 HB3 SER A 437 -7.326 -10.465 2.429 1.00 0.67 H new ATOM 0 HG SER A 437 -7.309 -8.264 2.014 1.00 0.67 H new ATOM 147 N GLY A 438 -10.637 -9.080 0.341 1.00 0.59 N ATOM 148 CA GLY A 438 -12.098 -8.978 0.339 1.00 0.59 C ATOM 149 C GLY A 438 -12.419 -7.827 1.216 1.00 0.59 C ATOM 150 O GLY A 438 -12.668 -6.726 0.746 1.00 0.59 O ATOM 0 H GLY A 438 -10.149 -8.184 0.325 1.00 0.59 H new ATOM 0 HA2 GLY A 438 -12.478 -8.820 -0.670 1.00 0.59 H new ATOM 0 HA3 GLY A 438 -12.555 -9.894 0.712 1.00 0.59 H new ATOM 154 N ARG A 439 -12.300 -8.008 2.559 1.00 0.60 N ATOM 155 CA ARG A 439 -12.355 -6.980 3.620 1.00 0.60 C ATOM 156 C ARG A 439 -11.298 -5.859 3.564 1.00 0.60 C ATOM 157 O ARG A 439 -11.263 -4.965 4.399 1.00 0.60 O ATOM 158 CB ARG A 439 -12.569 -7.579 5.021 1.00 0.60 C ATOM 159 CG ARG A 439 -11.415 -8.410 5.613 1.00 0.60 C ATOM 160 CD ARG A 439 -11.259 -9.832 5.046 1.00 0.60 C ATOM 161 NE ARG A 439 -10.099 -10.484 5.747 1.00 0.60 N ATOM 162 CZ ARG A 439 -9.682 -11.761 5.480 1.00 0.60 C ATOM 163 NH1 ARG A 439 -10.330 -12.530 4.558 1.00 0.60 N ATOM 164 NH2 ARG A 439 -8.602 -12.267 6.144 1.00 0.60 N ATOM 0 H ARG A 439 -12.154 -8.939 2.949 1.00 0.60 H new ATOM 0 HA ARG A 439 -13.261 -6.425 3.377 1.00 0.60 H new ATOM 0 HB2 ARG A 439 -12.785 -6.762 5.709 1.00 0.60 H new ATOM 0 HB3 ARG A 439 -13.457 -8.210 4.987 1.00 0.60 H new ATOM 0 HG2 ARG A 439 -10.482 -7.870 5.451 1.00 0.60 H new ATOM 0 HG3 ARG A 439 -11.559 -8.482 6.691 1.00 0.60 H new ATOM 0 HD2 ARG A 439 -12.172 -10.407 5.202 1.00 0.60 H new ATOM 0 HD3 ARG A 439 -11.084 -9.797 3.971 1.00 0.60 H new ATOM 0 HE ARG A 439 -9.598 -9.949 6.456 1.00 0.60 H new ATOM 0 HH11 ARG A 439 -11.136 -12.155 4.057 1.00 0.60 H new ATOM 0 HH12 ARG A 439 -10.008 -13.479 4.369 1.00 0.60 H new ATOM 0 HH21 ARG A 439 -8.113 -11.695 6.832 1.00 0.60 H new ATOM 0 HH22 ARG A 439 -8.284 -13.217 5.952 1.00 0.60 H new ATOM 178 N VAL A 440 -10.448 -5.896 2.505 1.00 0.36 N ATOM 179 CA VAL A 440 -9.491 -4.938 2.028 1.00 0.36 C ATOM 180 C VAL A 440 -9.449 -5.216 0.536 1.00 0.36 C ATOM 181 O VAL A 440 -9.474 -6.379 0.118 1.00 0.36 O ATOM 182 CB VAL A 440 -8.066 -5.005 2.599 1.00 0.36 C ATOM 183 CG1 VAL A 440 -7.364 -3.686 2.263 1.00 0.36 C ATOM 184 CG2 VAL A 440 -8.144 -5.095 4.133 1.00 0.36 C ATOM 0 H VAL A 440 -10.440 -6.721 1.905 1.00 0.36 H new ATOM 0 HA VAL A 440 -9.812 -3.944 2.338 1.00 0.36 H new ATOM 0 HB VAL A 440 -7.538 -5.865 2.187 1.00 0.36 H new ATOM 0 HG11 VAL A 440 -6.348 -3.704 2.657 1.00 0.36 H new ATOM 0 HG12 VAL A 440 -7.332 -3.556 1.181 1.00 0.36 H new ATOM 0 HG13 VAL A 440 -7.912 -2.858 2.712 1.00 0.36 H new ATOM 0 HG21 VAL A 440 -7.137 -5.143 4.546 1.00 0.36 H new ATOM 0 HG22 VAL A 440 -8.655 -4.215 4.524 1.00 0.36 H new ATOM 0 HG23 VAL A 440 -8.696 -5.991 4.417 1.00 0.36 H new ATOM 194 N ALA A 441 -9.275 -4.159 -0.283 1.00 0.28 N ATOM 195 CA ALA A 441 -8.938 -4.223 -1.692 1.00 0.28 C ATOM 196 C ALA A 441 -7.939 -3.146 -1.921 1.00 0.28 C ATOM 197 O ALA A 441 -8.029 -2.096 -1.290 1.00 0.28 O ATOM 198 CB ALA A 441 -10.136 -3.954 -2.645 1.00 0.28 C ATOM 0 H ALA A 441 -9.373 -3.200 0.050 1.00 0.28 H new ATOM 0 HA ALA A 441 -8.584 -5.230 -1.911 1.00 0.28 H new ATOM 0 HB1 ALA A 441 -9.800 -4.020 -3.680 1.00 0.28 H new ATOM 0 HB2 ALA A 441 -10.915 -4.696 -2.468 1.00 0.28 H new ATOM 0 HB3 ALA A 441 -10.534 -2.957 -2.456 1.00 0.28 H new ATOM 204 N VAL A 442 -7.002 -3.303 -2.896 1.00 0.46 N ATOM 205 CA VAL A 442 -6.150 -2.185 -3.317 1.00 0.46 C ATOM 206 C VAL A 442 -6.919 -1.615 -4.506 1.00 0.46 C ATOM 207 O VAL A 442 -6.989 -2.229 -5.565 1.00 0.46 O ATOM 208 CB VAL A 442 -4.708 -2.555 -3.620 1.00 0.46 C ATOM 209 CG1 VAL A 442 -3.879 -1.281 -3.551 1.00 0.46 C ATOM 210 CG2 VAL A 442 -4.102 -3.447 -2.529 1.00 0.46 C ATOM 0 H VAL A 442 -6.829 -4.179 -3.389 1.00 0.46 H new ATOM 0 HA VAL A 442 -5.994 -1.457 -2.521 1.00 0.46 H new ATOM 0 HB VAL A 442 -4.699 -3.060 -4.586 1.00 0.46 H new ATOM 0 HG11 VAL A 442 -2.836 -1.514 -3.764 1.00 0.46 H new ATOM 0 HG12 VAL A 442 -4.249 -0.566 -4.286 1.00 0.46 H new ATOM 0 HG13 VAL A 442 -3.958 -0.849 -2.553 1.00 0.46 H new ATOM 0 HG21 VAL A 442 -3.070 -3.687 -2.787 1.00 0.46 H new ATOM 0 HG22 VAL A 442 -4.125 -2.921 -1.575 1.00 0.46 H new ATOM 0 HG23 VAL A 442 -4.680 -4.368 -2.449 1.00 0.46 H new ATOM 220 N GLU A 443 -7.643 -0.487 -4.275 1.00 0.54 N ATOM 221 CA GLU A 443 -8.712 -0.031 -5.166 1.00 0.54 C ATOM 222 C GLU A 443 -8.209 0.793 -6.342 1.00 0.54 C ATOM 223 O GLU A 443 -8.481 0.519 -7.509 1.00 0.54 O ATOM 224 CB GLU A 443 -9.772 0.738 -4.334 1.00 0.54 C ATOM 225 CG GLU A 443 -11.183 0.804 -4.957 1.00 0.54 C ATOM 226 CD GLU A 443 -11.344 2.009 -5.884 1.00 0.54 C ATOM 227 OE1 GLU A 443 -11.210 3.159 -5.384 1.00 0.54 O ATOM 228 OE2 GLU A 443 -11.611 1.797 -7.097 1.00 0.54 O ATOM 0 H GLU A 443 -7.493 0.119 -3.468 1.00 0.54 H new ATOM 0 HA GLU A 443 -9.170 -0.911 -5.617 1.00 0.54 H new ATOM 0 HB2 GLU A 443 -9.848 0.270 -3.353 1.00 0.54 H new ATOM 0 HB3 GLU A 443 -9.416 1.756 -4.175 1.00 0.54 H new ATOM 0 HG2 GLU A 443 -11.376 -0.112 -5.516 1.00 0.54 H new ATOM 0 HG3 GLU A 443 -11.928 0.855 -4.163 1.00 0.54 H new ATOM 235 N GLU A 444 -7.407 1.825 -6.001 1.00 0.53 N ATOM 236 CA GLU A 444 -6.707 2.661 -6.945 1.00 0.53 C ATOM 237 C GLU A 444 -5.281 2.692 -6.555 1.00 0.53 C ATOM 238 O GLU A 444 -4.878 3.396 -5.650 1.00 0.53 O ATOM 239 CB GLU A 444 -7.317 4.070 -7.157 1.00 0.53 C ATOM 240 CG GLU A 444 -8.677 4.059 -7.878 1.00 0.53 C ATOM 241 CD GLU A 444 -9.195 5.489 -8.014 1.00 0.53 C ATOM 242 OE1 GLU A 444 -9.474 6.121 -6.960 1.00 0.53 O ATOM 243 OE2 GLU A 444 -9.322 5.969 -9.173 1.00 0.53 O ATOM 0 H GLU A 444 -7.238 2.090 -5.031 1.00 0.53 H new ATOM 0 HA GLU A 444 -6.815 2.217 -7.935 1.00 0.53 H new ATOM 0 HB2 GLU A 444 -7.435 4.554 -6.187 1.00 0.53 H new ATOM 0 HB3 GLU A 444 -6.617 4.676 -7.732 1.00 0.53 H new ATOM 0 HG2 GLU A 444 -8.574 3.603 -8.863 1.00 0.53 H new ATOM 0 HG3 GLU A 444 -9.391 3.454 -7.320 1.00 0.53 H new ATOM 250 N VAL A 445 -4.428 1.940 -7.289 1.00 0.50 N ATOM 251 CA VAL A 445 -3.003 1.920 -7.058 1.00 0.50 C ATOM 252 C VAL A 445 -2.413 2.708 -8.204 1.00 0.50 C ATOM 253 O VAL A 445 -2.553 2.378 -9.386 1.00 0.50 O ATOM 254 CB VAL A 445 -2.426 0.532 -6.833 1.00 0.50 C ATOM 255 CG1 VAL A 445 -1.957 0.535 -5.366 1.00 0.50 C ATOM 256 CG2 VAL A 445 -3.475 -0.575 -7.069 1.00 0.50 C ATOM 0 H VAL A 445 -4.730 1.337 -8.054 1.00 0.50 H new ATOM 0 HA VAL A 445 -2.736 2.385 -6.109 1.00 0.50 H new ATOM 0 HB VAL A 445 -1.617 0.320 -7.532 1.00 0.50 H new ATOM 0 HG11 VAL A 445 -1.525 -0.435 -5.120 1.00 0.50 H new ATOM 0 HG12 VAL A 445 -1.206 1.312 -5.226 1.00 0.50 H new ATOM 0 HG13 VAL A 445 -2.807 0.730 -4.713 1.00 0.50 H new ATOM 0 HG21 VAL A 445 -3.020 -1.550 -6.897 1.00 0.50 H new ATOM 0 HG22 VAL A 445 -4.310 -0.438 -6.381 1.00 0.50 H new ATOM 0 HG23 VAL A 445 -3.838 -0.520 -8.095 1.00 0.50 H new ATOM 266 N ASP A 446 -1.769 3.839 -7.818 1.00 0.41 N ATOM 267 CA ASP A 446 -1.299 4.899 -8.654 1.00 0.41 C ATOM 268 C ASP A 446 0.192 4.957 -8.448 1.00 0.41 C ATOM 269 O ASP A 446 0.753 6.004 -8.143 1.00 0.41 O ATOM 270 CB ASP A 446 -2.030 6.173 -8.136 1.00 0.41 C ATOM 271 CG ASP A 446 -3.423 6.271 -8.769 1.00 0.41 C ATOM 272 OD1 ASP A 446 -3.498 6.423 -10.017 1.00 0.41 O ATOM 273 OD2 ASP A 446 -4.426 6.202 -8.008 1.00 0.41 O ATOM 0 H ASP A 446 -1.565 4.017 -6.835 1.00 0.41 H new ATOM 0 HA ASP A 446 -1.493 4.783 -9.720 1.00 0.41 H new ATOM 0 HB2 ASP A 446 -2.117 6.137 -7.050 1.00 0.41 H new ATOM 0 HB3 ASP A 446 -1.447 7.061 -8.380 1.00 0.41 H new ATOM 337 N PHE A 451 0.506 7.271 -5.125 1.00 0.31 N ATOM 338 CA PHE A 451 -0.264 6.817 -3.979 1.00 0.31 C ATOM 339 C PHE A 451 -0.740 5.416 -4.136 1.00 0.31 C ATOM 340 O PHE A 451 -1.006 4.898 -5.219 1.00 0.31 O ATOM 341 CB PHE A 451 -1.485 7.705 -3.488 1.00 0.31 C ATOM 342 CG PHE A 451 -1.694 8.929 -4.320 1.00 0.31 C ATOM 343 CD1 PHE A 451 -2.205 8.807 -5.617 1.00 0.31 C ATOM 344 CD2 PHE A 451 -1.176 10.158 -3.890 1.00 0.31 C ATOM 345 CE1 PHE A 451 -2.031 9.853 -6.536 1.00 0.31 C ATOM 346 CE2 PHE A 451 -1.011 11.208 -4.796 1.00 0.31 C ATOM 347 CZ PHE A 451 -1.410 11.045 -6.124 1.00 0.31 C ATOM 0 HA PHE A 451 0.487 6.911 -3.194 1.00 0.31 H new ATOM 0 HB2 PHE A 451 -2.394 7.103 -3.504 1.00 0.31 H new ATOM 0 HB3 PHE A 451 -1.317 8.001 -2.453 1.00 0.31 H new ATOM 0 HD1 PHE A 451 -2.732 7.911 -5.910 1.00 0.31 H new ATOM 0 HD2 PHE A 451 -0.903 10.294 -2.854 1.00 0.31 H new ATOM 0 HE1 PHE A 451 -2.372 9.743 -7.555 1.00 0.31 H new ATOM 0 HE2 PHE A 451 -0.577 12.142 -4.471 1.00 0.31 H new ATOM 0 HZ PHE A 451 -1.241 11.838 -6.838 1.00 0.31 H new ATOM 357 N VAL A 452 -0.971 4.804 -2.949 1.00 0.26 N ATOM 358 CA VAL A 452 -1.683 3.560 -2.804 1.00 0.26 C ATOM 359 C VAL A 452 -3.002 3.975 -2.194 1.00 0.26 C ATOM 360 O VAL A 452 -3.062 4.278 -0.990 1.00 0.26 O ATOM 361 CB VAL A 452 -0.948 2.636 -1.836 1.00 0.26 C ATOM 362 CG1 VAL A 452 -1.771 1.419 -1.385 1.00 0.26 C ATOM 363 CG2 VAL A 452 0.290 2.083 -2.539 1.00 0.26 C ATOM 0 H VAL A 452 -0.651 5.189 -2.060 1.00 0.26 H new ATOM 0 HA VAL A 452 -1.787 3.024 -3.747 1.00 0.26 H new ATOM 0 HB VAL A 452 -0.721 3.239 -0.956 1.00 0.26 H new ATOM 0 HG11 VAL A 452 -1.179 0.813 -0.699 1.00 0.26 H new ATOM 0 HG12 VAL A 452 -2.676 1.758 -0.880 1.00 0.26 H new ATOM 0 HG13 VAL A 452 -2.043 0.821 -2.255 1.00 0.26 H new ATOM 0 HG21 VAL A 452 0.828 1.420 -1.861 1.00 0.26 H new ATOM 0 HG22 VAL A 452 -0.013 1.527 -3.426 1.00 0.26 H new ATOM 0 HG23 VAL A 452 0.940 2.907 -2.832 1.00 0.26 H new ATOM 373 N ARG A 453 -4.118 3.937 -2.999 1.00 0.58 N ATOM 374 CA ARG A 453 -5.462 4.200 -2.440 1.00 0.58 C ATOM 375 C ARG A 453 -6.097 2.863 -2.030 1.00 0.58 C ATOM 376 O ARG A 453 -6.424 2.007 -2.867 1.00 0.58 O ATOM 377 CB ARG A 453 -6.369 5.023 -3.394 1.00 0.58 C ATOM 378 CG ARG A 453 -5.692 6.321 -3.883 1.00 0.58 C ATOM 379 CD ARG A 453 -6.585 7.157 -4.810 1.00 0.58 C ATOM 380 NE ARG A 453 -5.795 8.346 -5.289 1.00 0.58 N ATOM 381 CZ ARG A 453 -6.167 9.108 -6.365 1.00 0.58 C ATOM 382 NH1 ARG A 453 -7.291 8.811 -7.081 1.00 0.58 N ATOM 383 NH2 ARG A 453 -5.402 10.179 -6.728 1.00 0.58 N ATOM 0 H ARG A 453 -4.102 3.733 -3.998 1.00 0.58 H new ATOM 0 HA ARG A 453 -5.354 4.830 -1.557 1.00 0.58 H new ATOM 0 HB2 ARG A 453 -6.635 4.410 -4.255 1.00 0.58 H new ATOM 0 HB3 ARG A 453 -7.298 5.273 -2.881 1.00 0.58 H new ATOM 0 HG2 ARG A 453 -5.411 6.924 -3.020 1.00 0.58 H new ATOM 0 HG3 ARG A 453 -4.771 6.067 -4.408 1.00 0.58 H new ATOM 0 HD2 ARG A 453 -6.918 6.557 -5.657 1.00 0.58 H new ATOM 0 HD3 ARG A 453 -7.479 7.485 -4.280 1.00 0.58 H new ATOM 0 HE ARG A 453 -4.942 8.596 -4.788 1.00 0.58 H new ATOM 0 HH11 ARG A 453 -7.867 8.012 -6.817 1.00 0.58 H new ATOM 0 HH12 ARG A 453 -7.554 9.388 -7.880 1.00 0.58 H new ATOM 0 HH21 ARG A 453 -4.560 10.407 -6.199 1.00 0.58 H new ATOM 0 HH22 ARG A 453 -5.672 10.751 -7.528 1.00 0.58 H new ATOM 397 N LEU A 454 -6.225 2.627 -0.682 1.00 0.66 N ATOM 398 CA LEU A 454 -6.589 1.386 -0.080 1.00 0.66 C ATOM 399 C LEU A 454 -8.008 1.516 0.465 1.00 0.66 C ATOM 400 O LEU A 454 -8.409 2.511 1.062 1.00 0.66 O ATOM 401 CB LEU A 454 -5.411 1.134 0.944 1.00 0.66 C ATOM 402 CG LEU A 454 -5.074 -0.316 1.379 1.00 0.66 C ATOM 403 CD1 LEU A 454 -5.471 -1.227 0.236 1.00 0.66 C ATOM 404 CD2 LEU A 454 -3.565 -0.551 1.631 1.00 0.66 C ATOM 0 H LEU A 454 -6.060 3.359 0.009 1.00 0.66 H new ATOM 0 HA LEU A 454 -6.666 0.509 -0.722 1.00 0.66 H new ATOM 0 HB2 LEU A 454 -4.507 1.564 0.514 1.00 0.66 H new ATOM 0 HB3 LEU A 454 -5.636 1.702 1.847 1.00 0.66 H new ATOM 0 HG LEU A 454 -5.604 -0.510 2.312 1.00 0.66 H new ATOM 0 HD11 LEU A 454 -5.250 -2.261 0.501 1.00 0.66 H new ATOM 0 HD12 LEU A 454 -6.538 -1.122 0.041 1.00 0.66 H new ATOM 0 HD13 LEU A 454 -4.911 -0.954 -0.658 1.00 0.66 H new ATOM 0 HD21 LEU A 454 -3.403 -1.586 1.932 1.00 0.66 H new ATOM 0 HD22 LEU A 454 -3.007 -0.347 0.717 1.00 0.66 H new ATOM 0 HD23 LEU A 454 -3.220 0.115 2.422 1.00 0.66 H new ATOM 416 N ARG A 455 -8.871 0.506 0.236 1.00 0.51 N ATOM 417 CA ARG A 455 -10.240 0.546 0.673 1.00 0.51 C ATOM 418 C ARG A 455 -10.444 -0.740 1.373 1.00 0.51 C ATOM 419 O ARG A 455 -9.739 -1.716 1.128 1.00 0.51 O ATOM 420 CB ARG A 455 -11.266 0.621 -0.495 1.00 0.51 C ATOM 421 CG ARG A 455 -11.386 2.026 -1.110 1.00 0.51 C ATOM 422 CD ARG A 455 -12.783 2.308 -1.687 1.00 0.51 C ATOM 423 NE ARG A 455 -13.770 2.325 -0.546 1.00 0.51 N ATOM 424 CZ ARG A 455 -15.124 2.431 -0.713 1.00 0.51 C ATOM 425 NH1 ARG A 455 -15.670 2.538 -1.958 1.00 0.51 N ATOM 426 NH2 ARG A 455 -15.935 2.428 0.386 1.00 0.51 N ATOM 0 H ARG A 455 -8.618 -0.350 -0.258 1.00 0.51 H new ATOM 0 HA ARG A 455 -10.402 1.436 1.281 1.00 0.51 H new ATOM 0 HB2 ARG A 455 -10.973 -0.085 -1.272 1.00 0.51 H new ATOM 0 HB3 ARG A 455 -12.244 0.306 -0.131 1.00 0.51 H new ATOM 0 HG2 ARG A 455 -11.155 2.771 -0.349 1.00 0.51 H new ATOM 0 HG3 ARG A 455 -10.643 2.136 -1.900 1.00 0.51 H new ATOM 0 HD2 ARG A 455 -12.792 3.264 -2.211 1.00 0.51 H new ATOM 0 HD3 ARG A 455 -13.056 1.543 -2.414 1.00 0.51 H new ATOM 0 HE ARG A 455 -13.407 2.253 0.405 1.00 0.51 H new ATOM 0 HH11 ARG A 455 -15.067 2.540 -2.781 1.00 0.51 H new ATOM 0 HH12 ARG A 455 -16.681 2.616 -2.066 1.00 0.51 H new ATOM 0 HH21 ARG A 455 -15.530 2.347 1.319 1.00 0.51 H new ATOM 0 HH22 ARG A 455 -16.946 2.506 0.274 1.00 0.51 H new ATOM 440 N ASN A 456 -11.481 -0.751 2.223 1.00 0.49 N ATOM 441 CA ASN A 456 -11.975 -1.898 2.910 1.00 0.49 C ATOM 442 C ASN A 456 -13.242 -2.220 2.093 1.00 0.49 C ATOM 443 O ASN A 456 -14.202 -1.454 2.085 1.00 0.49 O ATOM 444 CB ASN A 456 -12.177 -1.461 4.371 1.00 0.49 C ATOM 445 CG ASN A 456 -12.747 -2.510 5.308 1.00 0.49 C ATOM 446 OD1 ASN A 456 -13.921 -2.835 5.171 1.00 0.49 O ATOM 447 ND2 ASN A 456 -11.950 -3.051 6.258 1.00 0.49 N ATOM 0 H ASN A 456 -12.007 0.094 2.444 1.00 0.49 H new ATOM 0 HA ASN A 456 -11.357 -2.794 2.973 1.00 0.49 H new ATOM 0 HB2 ASN A 456 -11.216 -1.133 4.767 1.00 0.49 H new ATOM 0 HB3 ASN A 456 -12.839 -0.595 4.382 1.00 0.49 H new ATOM 0 HD21 ASN A 456 -12.321 -3.757 6.894 1.00 0.49 H new ATOM 0 HD22 ASN A 456 -10.978 -2.753 6.339 1.00 0.49 H new ATOM 454 N LYS A 457 -13.222 -3.320 1.294 1.00 0.45 N ATOM 455 CA LYS A 457 -14.284 -3.678 0.346 1.00 0.45 C ATOM 456 C LYS A 457 -15.332 -4.645 0.882 1.00 0.45 C ATOM 457 O LYS A 457 -16.518 -4.354 0.754 1.00 0.45 O ATOM 458 CB LYS A 457 -13.626 -4.085 -1.003 1.00 0.45 C ATOM 459 CG LYS A 457 -14.543 -4.520 -2.160 1.00 0.45 C ATOM 460 CD LYS A 457 -14.674 -6.048 -2.337 1.00 0.45 C ATOM 461 CE LYS A 457 -13.390 -6.776 -2.776 1.00 0.45 C ATOM 462 NZ LYS A 457 -12.905 -6.290 -4.090 1.00 0.45 N ATOM 0 H LYS A 457 -12.450 -3.987 1.299 1.00 0.45 H new ATOM 0 HA LYS A 457 -14.903 -2.798 0.170 1.00 0.45 H new ATOM 0 HB2 LYS A 457 -13.030 -3.241 -1.350 1.00 0.45 H new ATOM 0 HB3 LYS A 457 -12.934 -4.903 -0.802 1.00 0.45 H new ATOM 0 HG2 LYS A 457 -15.536 -4.100 -1.997 1.00 0.45 H new ATOM 0 HG3 LYS A 457 -14.164 -4.091 -3.088 1.00 0.45 H new ATOM 0 HD2 LYS A 457 -15.010 -6.478 -1.394 1.00 0.45 H new ATOM 0 HD3 LYS A 457 -15.453 -6.246 -3.073 1.00 0.45 H new ATOM 0 HE2 LYS A 457 -12.614 -6.629 -2.025 1.00 0.45 H new ATOM 0 HE3 LYS A 457 -13.581 -7.848 -2.832 1.00 0.45 H new ATOM 0 HZ1 LYS A 457 -12.089 -6.860 -4.392 1.00 0.45 H new ATOM 0 HZ2 LYS A 457 -13.666 -6.375 -4.794 1.00 0.45 H new ATOM 0 HZ3 LYS A 457 -12.619 -5.294 -4.008 1.00 0.45 H new ATOM 476 N SER A 458 -14.963 -5.758 1.594 1.00 0.34 N ATOM 477 CA SER A 458 -15.974 -6.546 2.365 1.00 0.34 C ATOM 478 C SER A 458 -16.084 -5.922 3.760 1.00 0.34 C ATOM 479 O SER A 458 -15.331 -5.035 4.142 1.00 0.34 O ATOM 480 CB SER A 458 -15.797 -8.094 2.536 1.00 0.34 C ATOM 481 OG SER A 458 -17.055 -8.757 2.789 1.00 0.34 O ATOM 0 H SER A 458 -14.010 -6.117 1.648 1.00 0.34 H new ATOM 0 HA SER A 458 -16.864 -6.480 1.739 1.00 0.34 H new ATOM 0 HB2 SER A 458 -15.343 -8.509 1.636 1.00 0.34 H new ATOM 0 HB3 SER A 458 -15.111 -8.292 3.359 1.00 0.34 H new ATOM 0 HG SER A 458 -16.903 -9.720 2.888 1.00 0.34 H new ATOM 487 N ASN A 459 -17.084 -6.332 4.549 1.00 0.49 N ATOM 488 CA ASN A 459 -17.515 -5.611 5.750 1.00 0.49 C ATOM 489 C ASN A 459 -16.983 -6.084 7.088 1.00 0.49 C ATOM 490 O ASN A 459 -17.715 -6.221 8.068 1.00 0.49 O ATOM 491 CB ASN A 459 -19.036 -5.325 5.788 1.00 0.49 C ATOM 492 CG ASN A 459 -19.893 -6.567 5.801 1.00 0.49 C ATOM 493 OD1 ASN A 459 -19.491 -7.683 5.471 1.00 0.49 O ATOM 494 ND2 ASN A 459 -21.185 -6.293 6.089 1.00 0.49 N ATOM 0 H ASN A 459 -17.621 -7.181 4.369 1.00 0.49 H new ATOM 0 HA ASN A 459 -16.998 -4.661 5.615 1.00 0.49 H new ATOM 0 HB2 ASN A 459 -19.262 -4.731 6.673 1.00 0.49 H new ATOM 0 HB3 ASN A 459 -19.304 -4.720 4.922 1.00 0.49 H new ATOM 0 HD21 ASN A 459 -21.887 -7.032 6.038 1.00 0.49 H new ATOM 0 HD22 ASN A 459 -21.458 -5.348 6.357 1.00 0.49 H new ATOM 501 N GLU A 460 -15.651 -6.255 7.155 1.00 0.74 N ATOM 502 CA GLU A 460 -14.933 -6.552 8.373 1.00 0.74 C ATOM 503 C GLU A 460 -13.958 -5.416 8.649 1.00 0.74 C ATOM 504 O GLU A 460 -12.933 -5.221 7.989 1.00 0.74 O ATOM 505 CB GLU A 460 -14.239 -7.934 8.418 1.00 0.74 C ATOM 506 CG GLU A 460 -15.181 -9.162 8.403 1.00 0.74 C ATOM 507 CD GLU A 460 -15.731 -9.490 7.013 1.00 0.74 C ATOM 508 OE1 GLU A 460 -14.914 -9.827 6.117 1.00 0.74 O ATOM 509 OE2 GLU A 460 -16.977 -9.434 6.837 1.00 0.74 O ATOM 0 H GLU A 460 -15.045 -6.186 6.337 1.00 0.74 H new ATOM 0 HA GLU A 460 -15.676 -6.625 9.167 1.00 0.74 H new ATOM 0 HB2 GLU A 460 -13.563 -8.008 7.566 1.00 0.74 H new ATOM 0 HB3 GLU A 460 -13.625 -7.982 9.317 1.00 0.74 H new ATOM 0 HG2 GLU A 460 -14.642 -10.029 8.786 1.00 0.74 H new ATOM 0 HG3 GLU A 460 -16.014 -8.980 9.081 1.00 0.74 H new ATOM 516 N ASP A 461 -14.295 -4.658 9.730 1.00 0.65 N ATOM 517 CA ASP A 461 -13.542 -3.582 10.396 1.00 0.65 C ATOM 518 C ASP A 461 -12.265 -4.117 11.033 1.00 0.65 C ATOM 519 O ASP A 461 -12.256 -4.862 12.005 1.00 0.65 O ATOM 520 CB ASP A 461 -14.334 -2.739 11.456 1.00 0.65 C ATOM 521 CG ASP A 461 -15.604 -3.443 11.944 1.00 0.65 C ATOM 522 OD1 ASP A 461 -15.476 -4.463 12.674 1.00 0.65 O ATOM 523 OD2 ASP A 461 -16.718 -2.968 11.592 1.00 0.65 O ATOM 0 H ASP A 461 -15.191 -4.808 10.194 1.00 0.65 H new ATOM 0 HA ASP A 461 -13.316 -2.892 9.583 1.00 0.65 H new ATOM 0 HB2 ASP A 461 -13.687 -2.535 12.309 1.00 0.65 H new ATOM 0 HB3 ASP A 461 -14.602 -1.776 11.021 1.00 0.65 H new ATOM 528 N GLN A 462 -11.135 -3.749 10.423 1.00 0.44 N ATOM 529 CA GLN A 462 -9.823 -4.297 10.789 1.00 0.44 C ATOM 530 C GLN A 462 -8.848 -3.291 11.329 1.00 0.44 C ATOM 531 O GLN A 462 -8.714 -2.205 10.781 1.00 0.44 O ATOM 532 CB GLN A 462 -9.279 -5.350 9.776 1.00 0.44 C ATOM 533 CG GLN A 462 -9.203 -4.954 8.285 1.00 0.44 C ATOM 534 CD GLN A 462 -7.839 -4.375 7.932 1.00 0.44 C ATOM 535 OE1 GLN A 462 -7.018 -5.000 7.258 1.00 0.44 O ATOM 536 NE2 GLN A 462 -7.624 -3.137 8.448 1.00 0.44 N ATOM 0 H GLN A 462 -11.102 -3.067 9.665 1.00 0.44 H new ATOM 0 HA GLN A 462 -9.996 -4.903 11.678 1.00 0.44 H new ATOM 0 HB2 GLN A 462 -8.277 -5.635 10.097 1.00 0.44 H new ATOM 0 HB3 GLN A 462 -9.903 -6.240 9.853 1.00 0.44 H new ATOM 0 HG2 GLN A 462 -9.400 -5.828 7.664 1.00 0.44 H new ATOM 0 HG3 GLN A 462 -9.979 -4.222 8.061 1.00 0.44 H new ATOM 0 HE21 GLN A 462 -8.352 -2.680 8.997 1.00 0.44 H new ATOM 0 HE22 GLN A 462 -6.735 -2.664 8.286 1.00 0.44 H new ATOM 545 N SER A 463 -8.124 -3.621 12.429 1.00 0.49 N ATOM 546 CA SER A 463 -7.140 -2.784 13.097 1.00 0.49 C ATOM 547 C SER A 463 -5.899 -2.432 12.291 1.00 0.49 C ATOM 548 O SER A 463 -5.011 -3.264 12.124 1.00 0.49 O ATOM 549 CB SER A 463 -6.661 -3.414 14.416 1.00 0.49 C ATOM 550 OG SER A 463 -7.775 -3.862 15.177 1.00 0.49 O ATOM 0 H SER A 463 -8.229 -4.528 12.884 1.00 0.49 H new ATOM 0 HA SER A 463 -7.693 -1.859 13.259 1.00 0.49 H new ATOM 0 HB2 SER A 463 -5.994 -4.250 14.207 1.00 0.49 H new ATOM 0 HB3 SER A 463 -6.089 -2.685 14.989 1.00 0.49 H new ATOM 0 HG SER A 463 -7.460 -4.263 16.014 1.00 0.49 H new ATOM 556 N MET A 464 -5.799 -1.164 11.805 1.00 0.50 N ATOM 557 CA MET A 464 -4.608 -0.670 11.085 1.00 0.50 C ATOM 558 C MET A 464 -3.570 -0.030 11.976 1.00 0.50 C ATOM 559 O MET A 464 -2.526 0.435 11.526 1.00 0.50 O ATOM 560 CB MET A 464 -4.796 0.221 9.846 1.00 0.50 C ATOM 561 CG MET A 464 -5.880 -0.259 8.905 1.00 0.50 C ATOM 562 SD MET A 464 -6.116 0.806 7.470 1.00 0.50 S ATOM 563 CE MET A 464 -4.664 1.882 7.361 1.00 0.50 C ATOM 0 H MET A 464 -6.538 -0.468 11.904 1.00 0.50 H new ATOM 0 HA MET A 464 -4.262 -1.628 10.696 1.00 0.50 H new ATOM 0 HB2 MET A 464 -5.033 1.234 10.171 1.00 0.50 H new ATOM 0 HB3 MET A 464 -3.853 0.274 9.302 1.00 0.50 H new ATOM 0 HG2 MET A 464 -5.634 -1.265 8.564 1.00 0.50 H new ATOM 0 HG3 MET A 464 -6.820 -0.329 9.453 1.00 0.50 H new ATOM 0 HE1 MET A 464 -4.641 2.364 6.384 1.00 0.50 H new ATOM 0 HE2 MET A 464 -4.716 2.643 8.140 1.00 0.50 H new ATOM 0 HE3 MET A 464 -3.760 1.288 7.494 1.00 0.50 H new ATOM 573 N GLY A 465 -3.756 -0.120 13.308 1.00 0.39 N ATOM 574 CA GLY A 465 -2.692 0.139 14.255 1.00 0.39 C ATOM 575 C GLY A 465 -1.638 -0.948 14.288 1.00 0.39 C ATOM 576 O GLY A 465 -0.507 -0.722 14.686 1.00 0.39 O ATOM 0 H GLY A 465 -4.645 -0.373 13.739 1.00 0.39 H new ATOM 0 HA2 GLY A 465 -2.217 1.088 14.006 1.00 0.39 H new ATOM 0 HA3 GLY A 465 -3.121 0.249 15.251 1.00 0.39 H new ATOM 580 N ASN A 466 -1.978 -2.178 13.855 1.00 0.33 N ATOM 581 CA ASN A 466 -1.068 -3.319 13.872 1.00 0.33 C ATOM 582 C ASN A 466 -0.478 -3.686 12.489 1.00 0.33 C ATOM 583 O ASN A 466 0.059 -4.774 12.294 1.00 0.33 O ATOM 584 CB ASN A 466 -1.690 -4.453 14.739 1.00 0.33 C ATOM 585 CG ASN A 466 -1.608 -4.052 16.226 1.00 0.33 C ATOM 586 OD1 ASN A 466 -0.748 -4.547 16.956 1.00 0.33 O ATOM 587 ND2 ASN A 466 -2.498 -3.136 16.693 1.00 0.33 N ATOM 0 H ASN A 466 -2.901 -2.400 13.482 1.00 0.33 H new ATOM 0 HA ASN A 466 -0.139 -3.053 14.376 1.00 0.33 H new ATOM 0 HB2 ASN A 466 -2.728 -4.620 14.451 1.00 0.33 H new ATOM 0 HB3 ASN A 466 -1.158 -5.389 14.572 1.00 0.33 H new ATOM 0 HD21 ASN A 466 -2.463 -2.843 17.669 1.00 0.33 H new ATOM 0 HD22 ASN A 466 -3.200 -2.742 16.067 1.00 0.33 H new ATOM 594 N TRP A 467 -0.571 -2.775 11.471 1.00 0.32 N ATOM 595 CA TRP A 467 -0.090 -2.957 10.097 1.00 0.32 C ATOM 596 C TRP A 467 1.390 -2.751 9.854 1.00 0.32 C ATOM 597 O TRP A 467 2.168 -2.174 10.623 1.00 0.32 O ATOM 598 CB TRP A 467 -0.827 -1.941 9.179 1.00 0.32 C ATOM 599 CG TRP A 467 -2.200 -2.379 8.801 1.00 0.32 C ATOM 600 CD1 TRP A 467 -2.984 -3.323 9.394 1.00 0.32 C ATOM 601 CD2 TRP A 467 -2.899 -1.907 7.645 1.00 0.32 C ATOM 602 NE1 TRP A 467 -4.113 -3.543 8.661 1.00 0.32 N ATOM 603 CE2 TRP A 467 -4.070 -2.683 7.553 1.00 0.32 C ATOM 604 CE3 TRP A 467 -2.579 -0.931 6.686 1.00 0.32 C ATOM 605 CZ2 TRP A 467 -4.932 -2.490 6.484 1.00 0.32 C ATOM 606 CZ3 TRP A 467 -3.479 -0.679 5.638 1.00 0.32 C ATOM 607 CH2 TRP A 467 -4.613 -1.494 5.546 1.00 0.32 C ATOM 0 H TRP A 467 -1.004 -1.862 11.610 1.00 0.32 H new ATOM 0 HA TRP A 467 -0.292 -4.007 9.884 1.00 0.32 H new ATOM 0 HB2 TRP A 467 -0.887 -0.979 9.688 1.00 0.32 H new ATOM 0 HB3 TRP A 467 -0.240 -1.787 8.274 1.00 0.32 H new ATOM 0 HD1 TRP A 467 -2.744 -3.828 10.318 1.00 0.32 H new ATOM 0 HE1 TRP A 467 -4.853 -4.210 8.878 1.00 0.32 H new ATOM 0 HE3 TRP A 467 -1.652 -0.381 6.754 1.00 0.32 H new ATOM 0 HZ2 TRP A 467 -5.824 -3.089 6.376 1.00 0.32 H new ATOM 0 HZ3 TRP A 467 -3.302 0.116 4.928 1.00 0.32 H new ATOM 0 HH2 TRP A 467 -5.279 -1.349 4.708 1.00 0.32 H new ATOM 618 N GLN A 468 1.764 -3.238 8.659 1.00 0.53 N ATOM 619 CA GLN A 468 3.070 -3.040 8.079 1.00 0.53 C ATOM 620 C GLN A 468 2.886 -3.279 6.604 1.00 0.53 C ATOM 621 O GLN A 468 2.391 -4.323 6.187 1.00 0.53 O ATOM 622 CB GLN A 468 4.208 -3.898 8.694 1.00 0.53 C ATOM 623 CG GLN A 468 3.846 -5.383 8.917 1.00 0.53 C ATOM 624 CD GLN A 468 4.549 -5.977 10.135 1.00 0.53 C ATOM 625 OE1 GLN A 468 5.597 -6.613 10.050 1.00 0.53 O ATOM 626 NE2 GLN A 468 3.916 -5.754 11.316 1.00 0.53 N ATOM 0 H GLN A 468 1.141 -3.790 8.070 1.00 0.53 H new ATOM 0 HA GLN A 468 3.420 -2.031 8.295 1.00 0.53 H new ATOM 0 HB2 GLN A 468 5.079 -3.844 8.041 1.00 0.53 H new ATOM 0 HB3 GLN A 468 4.499 -3.461 9.649 1.00 0.53 H new ATOM 0 HG2 GLN A 468 2.767 -5.476 9.042 1.00 0.53 H new ATOM 0 HG3 GLN A 468 4.115 -5.957 8.030 1.00 0.53 H new ATOM 0 HE21 GLN A 468 3.047 -5.220 11.336 1.00 0.53 H new ATOM 0 HE22 GLN A 468 4.309 -6.121 12.183 1.00 0.53 H new ATOM 635 N ILE A 469 3.279 -2.314 5.752 1.00 0.85 N ATOM 636 CA ILE A 469 3.221 -2.422 4.293 1.00 0.85 C ATOM 637 C ILE A 469 4.645 -2.806 3.863 1.00 0.85 C ATOM 638 O ILE A 469 5.560 -2.033 4.103 1.00 0.85 O ATOM 639 CB ILE A 469 2.706 -1.144 3.624 1.00 0.85 C ATOM 640 CG1 ILE A 469 1.164 -1.175 3.603 1.00 0.85 C ATOM 641 CG2 ILE A 469 3.135 -1.036 2.149 1.00 0.85 C ATOM 642 CD1 ILE A 469 0.489 0.084 4.120 1.00 0.85 C ATOM 0 H ILE A 469 3.653 -1.420 6.072 1.00 0.85 H new ATOM 0 HA ILE A 469 2.500 -3.175 3.973 1.00 0.85 H new ATOM 0 HB ILE A 469 3.116 -0.309 4.193 1.00 0.85 H new ATOM 0 HG12 ILE A 469 0.833 -1.352 2.580 1.00 0.85 H new ATOM 0 HG13 ILE A 469 0.825 -2.022 4.199 1.00 0.85 H new ATOM 0 HG21 ILE A 469 2.744 -0.112 1.723 1.00 0.85 H new ATOM 0 HG22 ILE A 469 4.223 -1.032 2.086 1.00 0.85 H new ATOM 0 HG23 ILE A 469 2.742 -1.887 1.593 1.00 0.85 H new ATOM 0 HD11 ILE A 469 -0.593 -0.035 4.065 1.00 0.85 H new ATOM 0 HD12 ILE A 469 0.783 0.256 5.155 1.00 0.85 H new ATOM 0 HD13 ILE A 469 0.792 0.936 3.511 1.00 0.85 H new ATOM 654 N LYS A 470 4.906 -3.984 3.237 1.00 1.07 N ATOM 655 CA LYS A 470 6.239 -4.416 2.797 1.00 1.07 C ATOM 656 C LYS A 470 6.380 -3.988 1.340 1.00 1.07 C ATOM 657 O LYS A 470 5.391 -4.025 0.604 1.00 1.07 O ATOM 658 CB LYS A 470 6.457 -5.978 2.789 1.00 1.07 C ATOM 659 CG LYS A 470 5.505 -6.852 3.622 1.00 1.07 C ATOM 660 CD LYS A 470 6.103 -7.264 4.974 1.00 1.07 C ATOM 661 CE LYS A 470 6.089 -6.127 5.988 1.00 1.07 C ATOM 662 NZ LYS A 470 6.817 -6.498 7.221 1.00 1.07 N ATOM 0 H LYS A 470 4.176 -4.664 3.025 1.00 1.07 H new ATOM 0 HA LYS A 470 6.953 -3.978 3.494 1.00 1.07 H new ATOM 0 HB2 LYS A 470 6.399 -6.316 1.754 1.00 1.07 H new ATOM 0 HB3 LYS A 470 7.473 -6.173 3.132 1.00 1.07 H new ATOM 0 HG2 LYS A 470 4.576 -6.308 3.792 1.00 1.07 H new ATOM 0 HG3 LYS A 470 5.251 -7.747 3.054 1.00 1.07 H new ATOM 0 HD2 LYS A 470 5.543 -8.110 5.373 1.00 1.07 H new ATOM 0 HD3 LYS A 470 7.129 -7.602 4.826 1.00 1.07 H new ATOM 0 HE2 LYS A 470 6.543 -5.239 5.548 1.00 1.07 H new ATOM 0 HE3 LYS A 470 5.059 -5.869 6.235 1.00 1.07 H new ATOM 0 HZ1 LYS A 470 6.162 -6.483 8.029 1.00 1.07 H new ATOM 0 HZ2 LYS A 470 7.215 -7.453 7.115 1.00 1.07 H new ATOM 0 HZ3 LYS A 470 7.587 -5.819 7.387 1.00 1.07 H new ATOM 676 N ARG A 471 7.589 -3.632 0.854 1.00 1.08 N ATOM 677 CA ARG A 471 7.760 -3.359 -0.564 1.00 1.08 C ATOM 678 C ARG A 471 9.182 -3.632 -1.016 1.00 1.08 C ATOM 679 O ARG A 471 10.151 -3.379 -0.294 1.00 1.08 O ATOM 680 CB ARG A 471 7.206 -1.975 -0.996 1.00 1.08 C ATOM 681 CG ARG A 471 7.754 -0.744 -0.267 1.00 1.08 C ATOM 682 CD ARG A 471 8.833 -0.026 -1.079 1.00 1.08 C ATOM 683 NE ARG A 471 9.355 1.084 -0.211 1.00 1.08 N ATOM 684 CZ ARG A 471 10.154 2.098 -0.658 1.00 1.08 C ATOM 685 NH1 ARG A 471 10.411 2.253 -1.985 1.00 1.08 N ATOM 686 NH2 ARG A 471 10.698 2.974 0.238 1.00 1.08 N ATOM 0 H ARG A 471 8.433 -3.532 1.417 1.00 1.08 H new ATOM 0 HA ARG A 471 7.133 -4.069 -1.104 1.00 1.08 H new ATOM 0 HB2 ARG A 471 7.400 -1.851 -2.061 1.00 1.08 H new ATOM 0 HB3 ARG A 471 6.124 -1.989 -0.868 1.00 1.08 H new ATOM 0 HG2 ARG A 471 6.937 -0.053 -0.060 1.00 1.08 H new ATOM 0 HG3 ARG A 471 8.167 -1.047 0.695 1.00 1.08 H new ATOM 0 HD2 ARG A 471 9.634 -0.713 -1.353 1.00 1.08 H new ATOM 0 HD3 ARG A 471 8.421 0.369 -2.007 1.00 1.08 H new ATOM 0 HE ARG A 471 9.096 1.080 0.776 1.00 1.08 H new ATOM 0 HH11 ARG A 471 10.005 1.607 -2.662 1.00 1.08 H new ATOM 0 HH12 ARG A 471 11.010 3.015 -2.303 1.00 1.08 H new ATOM 0 HH21 ARG A 471 10.507 2.869 1.234 1.00 1.08 H new ATOM 0 HH22 ARG A 471 11.295 3.733 -0.089 1.00 1.08 H new ATOM 700 N GLN A 472 9.295 -4.139 -2.270 1.00 0.85 N ATOM 701 CA GLN A 472 10.523 -4.446 -2.969 1.00 0.85 C ATOM 702 C GLN A 472 10.528 -3.544 -4.183 1.00 0.85 C ATOM 703 O GLN A 472 9.505 -3.382 -4.860 1.00 0.85 O ATOM 704 CB GLN A 472 10.575 -5.929 -3.452 1.00 0.85 C ATOM 705 CG GLN A 472 11.912 -6.385 -4.091 1.00 0.85 C ATOM 706 CD GLN A 472 11.687 -7.389 -5.227 1.00 0.85 C ATOM 707 OE1 GLN A 472 11.290 -7.015 -6.337 1.00 0.85 O ATOM 708 NE2 GLN A 472 11.949 -8.687 -4.945 1.00 0.85 N ATOM 0 H GLN A 472 8.471 -4.349 -2.834 1.00 0.85 H new ATOM 0 HA GLN A 472 11.377 -4.297 -2.308 1.00 0.85 H new ATOM 0 HB2 GLN A 472 10.362 -6.576 -2.601 1.00 0.85 H new ATOM 0 HB3 GLN A 472 9.776 -6.083 -4.178 1.00 0.85 H new ATOM 0 HG2 GLN A 472 12.446 -5.516 -4.475 1.00 0.85 H new ATOM 0 HG3 GLN A 472 12.545 -6.837 -3.327 1.00 0.85 H new ATOM 0 HE21 GLN A 472 12.275 -8.951 -4.015 1.00 0.85 H new ATOM 0 HE22 GLN A 472 11.820 -9.401 -5.662 1.00 0.85 H new ATOM 762 N PRO A 477 16.619 -3.231 -3.360 1.00 0.88 N ATOM 763 CA PRO A 477 16.614 -2.706 -1.983 1.00 0.88 C ATOM 764 C PRO A 477 15.225 -2.908 -1.318 1.00 0.88 C ATOM 765 O PRO A 477 14.213 -2.341 -1.742 1.00 0.88 O ATOM 766 CB PRO A 477 16.996 -1.226 -2.166 1.00 0.88 C ATOM 767 CG PRO A 477 16.403 -0.843 -3.527 1.00 0.88 C ATOM 768 CD PRO A 477 16.508 -2.143 -4.332 1.00 0.88 C ATOM 0 HA PRO A 477 17.304 -3.216 -1.312 1.00 0.88 H new ATOM 0 HB2 PRO A 477 16.587 -0.608 -1.367 1.00 0.88 H new ATOM 0 HB3 PRO A 477 18.077 -1.090 -2.152 1.00 0.88 H new ATOM 0 HG2 PRO A 477 15.370 -0.508 -3.436 1.00 0.88 H new ATOM 0 HG3 PRO A 477 16.961 -0.033 -3.996 1.00 0.88 H new ATOM 0 HD2 PRO A 477 15.631 -2.278 -4.966 1.00 0.88 H new ATOM 0 HD3 PRO A 477 17.377 -2.122 -4.990 1.00 0.88 H new ATOM 776 N LEU A 478 15.194 -3.778 -0.275 1.00 0.93 N ATOM 777 CA LEU A 478 14.029 -4.241 0.474 1.00 0.93 C ATOM 778 C LEU A 478 13.600 -3.382 1.677 1.00 0.93 C ATOM 779 O LEU A 478 14.305 -3.298 2.681 1.00 0.93 O ATOM 780 CB LEU A 478 14.246 -5.705 0.903 1.00 0.93 C ATOM 781 CG LEU A 478 13.112 -6.724 0.648 1.00 0.93 C ATOM 782 CD1 LEU A 478 11.708 -6.223 0.985 1.00 0.93 C ATOM 783 CD2 LEU A 478 13.173 -7.200 -0.802 1.00 0.93 C ATOM 0 H LEU A 478 16.054 -4.197 0.079 1.00 0.93 H new ATOM 0 HA LEU A 478 13.193 -4.146 -0.219 1.00 0.93 H new ATOM 0 HB2 LEU A 478 15.140 -6.070 0.397 1.00 0.93 H new ATOM 0 HB3 LEU A 478 14.461 -5.709 1.972 1.00 0.93 H new ATOM 0 HG LEU A 478 13.289 -7.550 1.337 1.00 0.93 H new ATOM 0 HD11 LEU A 478 10.981 -7.007 0.773 1.00 0.93 H new ATOM 0 HD12 LEU A 478 11.660 -5.959 2.042 1.00 0.93 H new ATOM 0 HD13 LEU A 478 11.480 -5.345 0.381 1.00 0.93 H new ATOM 0 HD21 LEU A 478 12.374 -7.919 -0.983 1.00 0.93 H new ATOM 0 HD22 LEU A 478 13.052 -6.347 -1.470 1.00 0.93 H new ATOM 0 HD23 LEU A 478 14.136 -7.674 -0.989 1.00 0.93 H new ATOM 795 N LEU A 479 12.406 -2.742 1.576 1.00 0.81 N ATOM 796 CA LEU A 479 11.756 -1.879 2.537 1.00 0.81 C ATOM 797 C LEU A 479 10.464 -2.404 3.151 1.00 0.81 C ATOM 798 O LEU A 479 9.810 -3.344 2.695 1.00 0.81 O ATOM 799 CB LEU A 479 11.471 -0.537 1.883 1.00 0.81 C ATOM 800 CG LEU A 479 12.493 0.507 2.351 1.00 0.81 C ATOM 801 CD1 LEU A 479 12.255 1.016 3.797 1.00 0.81 C ATOM 802 CD2 LEU A 479 13.951 0.111 2.053 1.00 0.81 C ATOM 0 H LEU A 479 11.840 -2.841 0.733 1.00 0.81 H new ATOM 0 HA LEU A 479 12.459 -1.809 3.367 1.00 0.81 H new ATOM 0 HB2 LEU A 479 11.512 -0.637 0.798 1.00 0.81 H new ATOM 0 HB3 LEU A 479 10.463 -0.208 2.135 1.00 0.81 H new ATOM 0 HG LEU A 479 12.310 1.383 1.728 1.00 0.81 H new ATOM 0 HD11 LEU A 479 13.018 1.751 4.054 1.00 0.81 H new ATOM 0 HD12 LEU A 479 11.270 1.478 3.863 1.00 0.81 H new ATOM 0 HD13 LEU A 479 12.310 0.178 4.491 1.00 0.81 H new ATOM 0 HD21 LEU A 479 14.621 0.893 2.410 1.00 0.81 H new ATOM 0 HD22 LEU A 479 14.184 -0.826 2.560 1.00 0.81 H new ATOM 0 HD23 LEU A 479 14.081 -0.016 0.978 1.00 0.81 H new ATOM 814 N THR A 480 10.034 -1.711 4.227 1.00 0.69 N ATOM 815 CA THR A 480 8.728 -1.854 4.849 1.00 0.69 C ATOM 816 C THR A 480 8.441 -0.505 5.452 1.00 0.69 C ATOM 817 O THR A 480 9.322 0.126 6.029 1.00 0.69 O ATOM 818 CB THR A 480 8.623 -2.933 5.932 1.00 0.69 C ATOM 819 OG1 THR A 480 8.745 -4.221 5.353 1.00 0.69 O ATOM 820 CG2 THR A 480 7.321 -2.853 6.789 1.00 0.69 C ATOM 0 H THR A 480 10.618 -1.016 4.692 1.00 0.69 H new ATOM 0 HA THR A 480 8.015 -2.178 4.091 1.00 0.69 H new ATOM 0 HB THR A 480 9.448 -2.747 6.619 1.00 0.69 H new ATOM 0 HG1 THR A 480 9.016 -4.134 4.415 1.00 0.69 H new ATOM 0 HG21 THR A 480 7.325 -3.651 7.532 1.00 0.69 H new ATOM 0 HG22 THR A 480 7.276 -1.888 7.294 1.00 0.69 H new ATOM 0 HG23 THR A 480 6.452 -2.964 6.141 1.00 0.69 H new ATOM 828 N TYR A 481 7.157 -0.075 5.386 1.00 0.73 N ATOM 829 CA TYR A 481 6.574 1.067 6.051 1.00 0.73 C ATOM 830 C TYR A 481 5.747 0.502 7.221 1.00 0.73 C ATOM 831 O TYR A 481 4.769 -0.194 6.956 1.00 0.73 O ATOM 832 CB TYR A 481 5.529 1.835 5.158 1.00 0.73 C ATOM 833 CG TYR A 481 5.977 2.577 3.923 1.00 0.73 C ATOM 834 CD1 TYR A 481 7.230 2.473 3.291 1.00 0.73 C ATOM 835 CD2 TYR A 481 4.998 3.394 3.333 1.00 0.73 C ATOM 836 CE1 TYR A 481 7.489 3.189 2.110 1.00 0.73 C ATOM 837 CE2 TYR A 481 5.253 4.102 2.157 1.00 0.73 C ATOM 838 CZ TYR A 481 6.510 4.022 1.546 1.00 0.73 C ATOM 839 OH TYR A 481 6.799 4.772 0.378 1.00 0.73 O ATOM 0 H TYR A 481 6.469 -0.569 4.818 1.00 0.73 H new ATOM 0 HA TYR A 481 7.382 1.746 6.323 1.00 0.73 H new ATOM 0 HB2 TYR A 481 4.779 1.109 4.843 1.00 0.73 H new ATOM 0 HB3 TYR A 481 5.024 2.556 5.801 1.00 0.73 H new ATOM 0 HD1 TYR A 481 7.996 1.840 3.715 1.00 0.73 H new ATOM 0 HD2 TYR A 481 4.027 3.476 3.799 1.00 0.73 H new ATOM 0 HE1 TYR A 481 8.452 3.097 1.631 1.00 0.73 H new ATOM 0 HE2 TYR A 481 4.478 4.713 1.718 1.00 0.73 H new ATOM 0 HH TYR A 481 6.010 5.294 0.121 1.00 0.73 H new ATOM 849 N ARG A 482 6.069 0.738 8.521 1.00 0.84 N ATOM 850 CA ARG A 482 5.349 0.132 9.653 1.00 0.84 C ATOM 851 C ARG A 482 4.312 1.097 10.246 1.00 0.84 C ATOM 852 O ARG A 482 4.422 2.310 10.092 1.00 0.84 O ATOM 853 CB ARG A 482 6.349 -0.299 10.761 1.00 0.84 C ATOM 854 CG ARG A 482 7.410 -1.280 10.227 1.00 0.84 C ATOM 855 CD ARG A 482 8.335 -1.836 11.320 1.00 0.84 C ATOM 856 NE ARG A 482 9.326 -2.782 10.689 1.00 0.84 N ATOM 857 CZ ARG A 482 9.069 -4.108 10.451 1.00 0.84 C ATOM 858 NH1 ARG A 482 7.890 -4.676 10.832 1.00 0.84 N ATOM 859 NH2 ARG A 482 10.011 -4.870 9.821 1.00 0.84 N ATOM 0 H ARG A 482 6.833 1.352 8.803 1.00 0.84 H new ATOM 0 HA ARG A 482 4.823 -0.744 9.273 1.00 0.84 H new ATOM 0 HB2 ARG A 482 6.843 0.584 11.168 1.00 0.84 H new ATOM 0 HB3 ARG A 482 5.803 -0.766 11.581 1.00 0.84 H new ATOM 0 HG2 ARG A 482 6.908 -2.110 9.730 1.00 0.84 H new ATOM 0 HG3 ARG A 482 8.014 -0.775 9.473 1.00 0.84 H new ATOM 0 HD2 ARG A 482 8.858 -1.021 11.821 1.00 0.84 H new ATOM 0 HD3 ARG A 482 7.751 -2.355 12.080 1.00 0.84 H new ATOM 0 HE ARG A 482 10.240 -2.414 10.424 1.00 0.84 H new ATOM 0 HH11 ARG A 482 7.181 -4.113 11.302 1.00 0.84 H new ATOM 0 HH12 ARG A 482 7.716 -5.664 10.647 1.00 0.84 H new ATOM 0 HH21 ARG A 482 10.895 -4.452 9.532 1.00 0.84 H new ATOM 0 HH22 ARG A 482 9.830 -5.857 9.639 1.00 0.84 H new ATOM 873 N PHE A 483 3.240 0.578 10.915 1.00 0.68 N ATOM 874 CA PHE A 483 2.105 1.350 11.445 1.00 0.68 C ATOM 875 C PHE A 483 2.103 1.560 12.992 1.00 0.68 C ATOM 876 O PHE A 483 2.814 0.872 13.725 1.00 0.68 O ATOM 877 CB PHE A 483 0.759 0.839 10.828 1.00 0.68 C ATOM 878 CG PHE A 483 0.313 1.654 9.624 1.00 0.68 C ATOM 879 CD1 PHE A 483 1.132 1.782 8.486 1.00 0.68 C ATOM 880 CD2 PHE A 483 -0.915 2.342 9.634 1.00 0.68 C ATOM 881 CE1 PHE A 483 0.800 2.686 7.465 1.00 0.68 C ATOM 882 CE2 PHE A 483 -1.278 3.197 8.594 1.00 0.68 C ATOM 883 CZ PHE A 483 -0.407 3.395 7.523 1.00 0.68 C ATOM 0 H PHE A 483 3.152 -0.421 11.099 1.00 0.68 H new ATOM 0 HA PHE A 483 2.233 2.378 11.105 1.00 0.68 H new ATOM 0 HB2 PHE A 483 0.873 -0.204 10.532 1.00 0.68 H new ATOM 0 HB3 PHE A 483 -0.019 0.871 11.590 1.00 0.68 H new ATOM 0 HD1 PHE A 483 2.024 1.179 8.398 1.00 0.68 H new ATOM 0 HD2 PHE A 483 -1.591 2.205 10.465 1.00 0.68 H new ATOM 0 HE1 PHE A 483 1.475 2.835 6.635 1.00 0.68 H new ATOM 0 HE2 PHE A 483 -2.231 3.704 8.618 1.00 0.68 H new ATOM 0 HZ PHE A 483 -0.662 4.093 6.740 1.00 0.68 H new ATOM 893 N PRO A 484 1.335 2.560 13.516 1.00 0.53 N ATOM 894 CA PRO A 484 1.274 2.977 14.926 1.00 0.53 C ATOM 895 C PRO A 484 0.138 2.271 15.725 1.00 0.53 C ATOM 896 O PRO A 484 -0.994 2.404 15.272 1.00 0.53 O ATOM 897 CB PRO A 484 0.943 4.478 14.738 1.00 0.53 C ATOM 898 CG PRO A 484 0.008 4.551 13.512 1.00 0.53 C ATOM 899 CD PRO A 484 0.350 3.283 12.721 1.00 0.53 C ATOM 0 HA PRO A 484 2.176 2.744 15.493 1.00 0.53 H new ATOM 0 HB2 PRO A 484 0.458 4.886 15.625 1.00 0.53 H new ATOM 0 HB3 PRO A 484 1.849 5.061 14.574 1.00 0.53 H new ATOM 0 HG2 PRO A 484 -1.041 4.568 13.808 1.00 0.53 H new ATOM 0 HG3 PRO A 484 0.188 5.451 12.924 1.00 0.53 H new ATOM 0 HD2 PRO A 484 -0.540 2.675 12.557 1.00 0.53 H new ATOM 0 HD3 PRO A 484 0.751 3.533 11.739 1.00 0.53 H new ATOM 907 N PRO A 485 0.254 1.657 16.924 1.00 0.68 N ATOM 908 CA PRO A 485 -0.761 0.764 17.551 1.00 0.68 C ATOM 909 C PRO A 485 -2.151 1.308 17.989 1.00 0.68 C ATOM 910 O PRO A 485 -2.767 0.662 18.834 1.00 0.68 O ATOM 911 CB PRO A 485 0.022 0.179 18.752 1.00 0.68 C ATOM 912 CG PRO A 485 1.075 1.228 19.079 1.00 0.68 C ATOM 913 CD PRO A 485 1.495 1.690 17.691 1.00 0.68 C ATOM 0 HA PRO A 485 -1.115 0.075 16.784 1.00 0.68 H new ATOM 0 HB2 PRO A 485 -0.635 -0.000 19.603 1.00 0.68 H new ATOM 0 HB3 PRO A 485 0.481 -0.776 18.497 1.00 0.68 H new ATOM 0 HG2 PRO A 485 0.668 2.044 19.676 1.00 0.68 H new ATOM 0 HG3 PRO A 485 1.910 0.808 19.640 1.00 0.68 H new ATOM 0 HD2 PRO A 485 1.924 2.692 17.715 1.00 0.68 H new ATOM 0 HD3 PRO A 485 2.249 1.031 17.261 1.00 0.68 H new ATOM 921 N LYS A 486 -2.694 2.444 17.464 1.00 0.85 N ATOM 922 CA LYS A 486 -3.930 3.057 17.918 1.00 0.85 C ATOM 923 C LYS A 486 -5.202 2.964 17.092 1.00 0.85 C ATOM 924 O LYS A 486 -6.308 2.951 17.617 1.00 0.85 O ATOM 925 CB LYS A 486 -3.521 4.523 18.221 1.00 0.85 C ATOM 926 CG LYS A 486 -4.574 5.460 18.822 1.00 0.85 C ATOM 927 CD LYS A 486 -5.119 5.011 20.188 1.00 0.85 C ATOM 928 CE LYS A 486 -6.150 5.976 20.790 1.00 0.85 C ATOM 929 NZ LYS A 486 -5.548 7.299 21.082 1.00 0.85 N ATOM 0 H LYS A 486 -2.257 2.953 16.696 1.00 0.85 H new ATOM 0 HA LYS A 486 -4.285 2.467 18.763 1.00 0.85 H new ATOM 0 HB2 LYS A 486 -2.671 4.497 18.903 1.00 0.85 H new ATOM 0 HB3 LYS A 486 -3.170 4.970 17.291 1.00 0.85 H new ATOM 0 HG2 LYS A 486 -4.140 6.454 18.927 1.00 0.85 H new ATOM 0 HG3 LYS A 486 -5.406 5.547 18.123 1.00 0.85 H new ATOM 0 HD2 LYS A 486 -5.575 4.027 20.081 1.00 0.85 H new ATOM 0 HD3 LYS A 486 -4.287 4.903 20.883 1.00 0.85 H new ATOM 0 HE2 LYS A 486 -6.983 6.099 20.098 1.00 0.85 H new ATOM 0 HE3 LYS A 486 -6.557 5.550 21.707 1.00 0.85 H new ATOM 0 HZ1 LYS A 486 -6.229 7.881 21.610 1.00 0.85 H new ATOM 0 HZ2 LYS A 486 -4.688 7.171 21.652 1.00 0.85 H new ATOM 0 HZ3 LYS A 486 -5.304 7.774 20.190 1.00 0.85 H new ATOM 943 N PHE A 487 -5.082 2.930 15.773 1.00 0.81 N ATOM 944 CA PHE A 487 -6.178 3.009 14.778 1.00 0.81 C ATOM 945 C PHE A 487 -6.840 1.671 14.318 1.00 0.81 C ATOM 946 O PHE A 487 -6.277 0.582 14.440 1.00 0.81 O ATOM 947 CB PHE A 487 -5.666 3.943 13.610 1.00 0.81 C ATOM 948 CG PHE A 487 -6.536 4.067 12.378 1.00 0.81 C ATOM 949 CD1 PHE A 487 -7.600 4.973 12.260 1.00 0.81 C ATOM 950 CD2 PHE A 487 -6.332 3.126 11.364 1.00 0.81 C ATOM 951 CE1 PHE A 487 -8.426 4.939 11.126 1.00 0.81 C ATOM 952 CE2 PHE A 487 -7.188 3.035 10.262 1.00 0.81 C ATOM 953 CZ PHE A 487 -8.220 3.973 10.129 1.00 0.81 C ATOM 0 H PHE A 487 -4.169 2.842 15.327 1.00 0.81 H new ATOM 0 HA PHE A 487 -7.048 3.443 15.271 1.00 0.81 H new ATOM 0 HB2 PHE A 487 -5.519 4.943 14.019 1.00 0.81 H new ATOM 0 HB3 PHE A 487 -4.687 3.581 13.295 1.00 0.81 H new ATOM 0 HD1 PHE A 487 -7.783 5.696 13.041 1.00 0.81 H new ATOM 0 HD2 PHE A 487 -5.491 2.452 11.434 1.00 0.81 H new ATOM 0 HE1 PHE A 487 -9.224 5.659 11.020 1.00 0.81 H new ATOM 0 HE2 PHE A 487 -7.056 2.255 9.526 1.00 0.81 H new ATOM 0 HZ PHE A 487 -8.858 3.953 9.258 1.00 0.81 H new ATOM 963 N THR A 488 -8.069 1.790 13.711 1.00 0.82 N ATOM 964 CA THR A 488 -8.934 0.767 13.082 1.00 0.82 C ATOM 965 C THR A 488 -9.646 1.291 11.835 1.00 0.82 C ATOM 966 O THR A 488 -10.284 2.333 11.878 1.00 0.82 O ATOM 967 CB THR A 488 -10.021 0.177 14.012 1.00 0.82 C ATOM 968 OG1 THR A 488 -9.390 -0.574 15.053 1.00 0.82 O ATOM 969 CG2 THR A 488 -11.033 -0.765 13.285 1.00 0.82 C ATOM 0 H THR A 488 -8.511 2.708 13.652 1.00 0.82 H new ATOM 0 HA THR A 488 -8.227 -0.023 12.828 1.00 0.82 H new ATOM 0 HB THR A 488 -10.585 1.027 14.397 1.00 0.82 H new ATOM 0 HG1 THR A 488 -10.074 -0.949 15.647 1.00 0.82 H new ATOM 0 HG21 THR A 488 -11.763 -1.138 14.003 1.00 0.82 H new ATOM 0 HG22 THR A 488 -11.547 -0.210 12.500 1.00 0.82 H new ATOM 0 HG23 THR A 488 -10.496 -1.605 12.844 1.00 0.82 H new ATOM 977 N LEU A 489 -9.610 0.500 10.709 1.00 0.93 N ATOM 978 CA LEU A 489 -10.300 0.639 9.423 1.00 0.93 C ATOM 979 C LEU A 489 -11.676 0.076 9.576 1.00 0.93 C ATOM 980 O LEU A 489 -11.934 -0.896 10.281 1.00 0.93 O ATOM 981 CB LEU A 489 -9.632 -0.264 8.309 1.00 0.93 C ATOM 982 CG LEU A 489 -9.810 -0.105 6.781 1.00 0.93 C ATOM 983 CD1 LEU A 489 -9.284 1.173 6.132 1.00 0.93 C ATOM 984 CD2 LEU A 489 -9.049 -1.287 6.136 1.00 0.93 C ATOM 0 H LEU A 489 -9.026 -0.336 10.705 1.00 0.93 H new ATOM 0 HA LEU A 489 -10.272 1.692 9.145 1.00 0.93 H new ATOM 0 HB2 LEU A 489 -8.558 -0.205 8.488 1.00 0.93 H new ATOM 0 HB3 LEU A 489 -9.938 -1.285 8.536 1.00 0.93 H new ATOM 0 HG LEU A 489 -10.887 -0.071 6.616 1.00 0.93 H new ATOM 0 HD11 LEU A 489 -9.479 1.144 5.060 1.00 0.93 H new ATOM 0 HD12 LEU A 489 -9.786 2.036 6.569 1.00 0.93 H new ATOM 0 HD13 LEU A 489 -8.211 1.253 6.303 1.00 0.93 H new ATOM 0 HD21 LEU A 489 -9.139 -1.229 5.051 1.00 0.93 H new ATOM 0 HD22 LEU A 489 -7.997 -1.239 6.416 1.00 0.93 H new ATOM 0 HD23 LEU A 489 -9.475 -2.228 6.485 1.00 0.93 H new ATOM 996 N LYS A 490 -12.583 0.708 8.861 1.00 0.79 N ATOM 997 CA LYS A 490 -13.973 0.442 8.859 1.00 0.79 C ATOM 998 C LYS A 490 -14.378 -0.437 7.705 1.00 0.79 C ATOM 999 O LYS A 490 -14.015 -0.139 6.571 1.00 0.79 O ATOM 1000 CB LYS A 490 -14.663 1.827 8.632 1.00 0.79 C ATOM 1001 CG LYS A 490 -14.099 2.896 9.602 1.00 0.79 C ATOM 1002 CD LYS A 490 -14.504 2.660 11.065 1.00 0.79 C ATOM 1003 CE LYS A 490 -13.937 3.725 12.014 1.00 0.79 C ATOM 1004 NZ LYS A 490 -14.335 3.453 13.414 1.00 0.79 N ATOM 0 H LYS A 490 -12.333 1.469 8.230 1.00 0.79 H new ATOM 0 HA LYS A 490 -14.251 -0.058 9.787 1.00 0.79 H new ATOM 0 HB2 LYS A 490 -14.510 2.149 7.602 1.00 0.79 H new ATOM 0 HB3 LYS A 490 -15.739 1.729 8.779 1.00 0.79 H new ATOM 0 HG2 LYS A 490 -13.011 2.905 9.530 1.00 0.79 H new ATOM 0 HG3 LYS A 490 -14.447 3.880 9.290 1.00 0.79 H new ATOM 0 HD2 LYS A 490 -15.591 2.653 11.140 1.00 0.79 H new ATOM 0 HD3 LYS A 490 -14.157 1.676 11.380 1.00 0.79 H new ATOM 0 HE2 LYS A 490 -12.850 3.743 11.938 1.00 0.79 H new ATOM 0 HE3 LYS A 490 -14.294 4.711 11.715 1.00 0.79 H new ATOM 0 HZ1 LYS A 490 -13.940 4.187 14.036 1.00 0.79 H new ATOM 0 HZ2 LYS A 490 -15.372 3.459 13.487 1.00 0.79 H new ATOM 0 HZ3 LYS A 490 -13.973 2.522 13.703 1.00 0.79 H new ATOM 1018 N ALA A 491 -15.250 -1.441 7.982 1.00 0.40 N ATOM 1019 CA ALA A 491 -16.166 -2.177 7.082 1.00 0.40 C ATOM 1020 C ALA A 491 -16.835 -1.302 5.982 1.00 0.40 C ATOM 1021 O ALA A 491 -17.899 -0.722 6.168 1.00 0.40 O ATOM 1022 CB ALA A 491 -17.301 -2.755 7.949 1.00 0.40 C ATOM 0 H ALA A 491 -15.335 -1.787 8.938 1.00 0.40 H new ATOM 0 HA ALA A 491 -15.564 -2.929 6.572 1.00 0.40 H new ATOM 0 HB1 ALA A 491 -17.997 -3.306 7.317 1.00 0.40 H new ATOM 0 HB2 ALA A 491 -16.881 -3.427 8.697 1.00 0.40 H new ATOM 0 HB3 ALA A 491 -17.829 -1.942 8.447 1.00 0.40 H new ATOM 1028 N GLY A 492 -16.084 -1.070 4.883 1.00 0.27 N ATOM 1029 CA GLY A 492 -16.329 0.007 3.921 1.00 0.27 C ATOM 1030 C GLY A 492 -16.043 1.478 4.167 1.00 0.27 C ATOM 1031 O GLY A 492 -16.810 2.319 3.704 1.00 0.27 O ATOM 0 H GLY A 492 -15.275 -1.643 4.642 1.00 0.27 H new ATOM 0 HA2 GLY A 492 -15.770 -0.260 3.024 1.00 0.27 H new ATOM 0 HA3 GLY A 492 -17.387 -0.054 3.667 1.00 0.27 H new ATOM 1035 N GLN A 493 -14.863 1.860 4.771 1.00 0.35 N ATOM 1036 CA GLN A 493 -14.384 3.253 4.634 1.00 0.35 C ATOM 1037 C GLN A 493 -13.190 3.227 3.633 1.00 0.35 C ATOM 1038 O GLN A 493 -12.772 2.150 3.182 1.00 0.35 O ATOM 1039 CB GLN A 493 -14.221 4.174 5.898 1.00 0.35 C ATOM 1040 CG GLN A 493 -12.839 4.518 6.519 1.00 0.35 C ATOM 1041 CD GLN A 493 -11.953 3.348 6.921 1.00 0.35 C ATOM 1042 OE1 GLN A 493 -12.026 2.232 6.155 1.00 0.35 O flip ATOM 1043 NE2 GLN A 493 -11.232 3.405 7.916 1.00 0.35 N flip ATOM 0 H GLN A 493 -14.266 1.247 5.326 1.00 0.35 H new ATOM 0 HA GLN A 493 -15.224 3.826 4.243 1.00 0.35 H new ATOM 0 HB2 GLN A 493 -14.695 5.124 5.652 1.00 0.35 H new ATOM 0 HB3 GLN A 493 -14.813 3.718 6.692 1.00 0.35 H new ATOM 0 HG2 GLN A 493 -12.289 5.130 5.804 1.00 0.35 H new ATOM 0 HG3 GLN A 493 -13.008 5.134 7.402 1.00 0.35 H new ATOM 0 HE21 GLN A 493 -11.198 4.259 8.473 1.00 0.35 H new ATOM 0 HE22 GLN A 493 -10.668 2.598 8.184 1.00 0.35 H new ATOM 1052 N VAL A 494 -12.508 4.379 3.407 1.00 0.36 N ATOM 1053 CA VAL A 494 -11.260 4.508 2.648 1.00 0.36 C ATOM 1054 C VAL A 494 -10.067 4.897 3.526 1.00 0.36 C ATOM 1055 O VAL A 494 -10.208 5.651 4.487 1.00 0.36 O ATOM 1056 CB VAL A 494 -11.384 5.662 1.606 1.00 0.36 C ATOM 1057 CG1 VAL A 494 -10.090 5.986 0.795 1.00 0.36 C ATOM 1058 CG2 VAL A 494 -12.547 5.374 0.638 1.00 0.36 C ATOM 0 H VAL A 494 -12.836 5.275 3.768 1.00 0.36 H new ATOM 0 HA VAL A 494 -11.097 3.531 2.192 1.00 0.36 H new ATOM 0 HB VAL A 494 -11.574 6.555 2.202 1.00 0.36 H new ATOM 0 HG11 VAL A 494 -10.290 6.803 0.101 1.00 0.36 H new ATOM 0 HG12 VAL A 494 -9.295 6.279 1.480 1.00 0.36 H new ATOM 0 HG13 VAL A 494 -9.780 5.103 0.236 1.00 0.36 H new ATOM 0 HG21 VAL A 494 -12.627 6.185 -0.086 1.00 0.36 H new ATOM 0 HG22 VAL A 494 -12.361 4.436 0.114 1.00 0.36 H new ATOM 0 HG23 VAL A 494 -13.478 5.297 1.200 1.00 0.36 H new ATOM 1068 N VAL A 495 -8.827 4.491 3.097 1.00 0.55 N ATOM 1069 CA VAL A 495 -7.552 4.987 3.587 1.00 0.55 C ATOM 1070 C VAL A 495 -6.481 5.056 2.508 1.00 0.55 C ATOM 1071 O VAL A 495 -6.269 4.138 1.729 1.00 0.55 O ATOM 1072 CB VAL A 495 -7.083 4.213 4.819 1.00 0.55 C ATOM 1073 CG1 VAL A 495 -6.715 2.771 4.418 1.00 0.55 C ATOM 1074 CG2 VAL A 495 -5.947 4.936 5.576 1.00 0.55 C ATOM 0 H VAL A 495 -8.715 3.782 2.373 1.00 0.55 H new ATOM 0 HA VAL A 495 -7.723 6.018 3.896 1.00 0.55 H new ATOM 0 HB VAL A 495 -7.907 4.165 5.531 1.00 0.55 H new ATOM 0 HG11 VAL A 495 -6.381 2.222 5.299 1.00 0.55 H new ATOM 0 HG12 VAL A 495 -7.589 2.277 3.993 1.00 0.55 H new ATOM 0 HG13 VAL A 495 -5.914 2.792 3.679 1.00 0.55 H new ATOM 0 HG21 VAL A 495 -5.652 4.343 6.442 1.00 0.55 H new ATOM 0 HG22 VAL A 495 -5.091 5.062 4.913 1.00 0.55 H new ATOM 0 HG23 VAL A 495 -6.296 5.914 5.908 1.00 0.55 H new ATOM 1084 N THR A 496 -5.713 6.169 2.445 1.00 0.72 N ATOM 1085 CA THR A 496 -4.557 6.305 1.554 1.00 0.72 C ATOM 1086 C THR A 496 -3.255 6.206 2.342 1.00 0.72 C ATOM 1087 O THR A 496 -2.942 7.033 3.199 1.00 0.72 O ATOM 1088 CB THR A 496 -4.542 7.657 0.808 1.00 0.72 C ATOM 1089 OG1 THR A 496 -5.580 7.707 -0.149 1.00 0.72 O ATOM 1090 CG2 THR A 496 -3.274 7.922 -0.034 1.00 0.72 C ATOM 0 H THR A 496 -5.886 6.996 3.017 1.00 0.72 H new ATOM 0 HA THR A 496 -4.641 5.495 0.830 1.00 0.72 H new ATOM 0 HB THR A 496 -4.625 8.386 1.614 1.00 0.72 H new ATOM 0 HG1 THR A 496 -5.557 8.571 -0.611 1.00 0.72 H new ATOM 0 HG21 THR A 496 -3.356 8.894 -0.519 1.00 0.72 H new ATOM 0 HG22 THR A 496 -2.398 7.913 0.615 1.00 0.72 H new ATOM 0 HG23 THR A 496 -3.172 7.146 -0.792 1.00 0.72 H new ATOM 1098 N ILE A 497 -2.390 5.209 2.011 1.00 0.70 N ATOM 1099 CA ILE A 497 -1.016 5.172 2.518 1.00 0.70 C ATOM 1100 C ILE A 497 -0.113 5.572 1.368 1.00 0.70 C ATOM 1101 O ILE A 497 -0.399 5.160 0.248 1.00 0.70 O ATOM 1102 CB ILE A 497 -0.613 3.800 3.069 1.00 0.70 C ATOM 1103 CG1 ILE A 497 -1.567 3.455 4.219 1.00 0.70 C ATOM 1104 CG2 ILE A 497 0.768 3.891 3.752 1.00 0.70 C ATOM 1105 CD1 ILE A 497 -2.916 2.837 3.863 1.00 0.70 C ATOM 0 H ILE A 497 -2.631 4.430 1.398 1.00 0.70 H new ATOM 0 HA ILE A 497 -0.926 5.858 3.361 1.00 0.70 H new ATOM 0 HB ILE A 497 -0.623 3.082 2.249 1.00 0.70 H new ATOM 0 HG12 ILE A 497 -1.050 2.768 4.888 1.00 0.70 H new ATOM 0 HG13 ILE A 497 -1.755 4.368 4.783 1.00 0.70 H new ATOM 0 HG21 ILE A 497 1.047 2.912 4.141 1.00 0.70 H new ATOM 0 HG22 ILE A 497 1.512 4.218 3.026 1.00 0.70 H new ATOM 0 HG23 ILE A 497 0.722 4.607 4.572 1.00 0.70 H new ATOM 0 HD11 ILE A 497 -3.482 2.648 4.775 1.00 0.70 H new ATOM 0 HD12 ILE A 497 -3.474 3.523 3.226 1.00 0.70 H new ATOM 0 HD13 ILE A 497 -2.757 1.898 3.333 1.00 0.70 H new ATOM 1117 N TRP A 498 1.004 6.320 1.631 1.00 0.58 N ATOM 1118 CA TRP A 498 2.087 6.647 0.665 1.00 0.58 C ATOM 1119 C TRP A 498 3.337 7.446 1.049 1.00 0.58 C ATOM 1120 O TRP A 498 3.655 7.549 2.233 1.00 0.58 O ATOM 1121 CB TRP A 498 1.733 6.711 -0.850 1.00 0.58 C ATOM 1122 CG TRP A 498 2.311 5.525 -1.638 1.00 0.58 C ATOM 1123 CD1 TRP A 498 2.757 5.591 -2.912 1.00 0.58 C ATOM 1124 CD2 TRP A 498 2.686 4.199 -1.178 1.00 0.58 C ATOM 1125 NE1 TRP A 498 3.344 4.439 -3.292 1.00 0.58 N ATOM 1126 CE2 TRP A 498 3.419 3.610 -2.224 1.00 0.58 C ATOM 1127 CE3 TRP A 498 2.496 3.501 0.017 1.00 0.58 C ATOM 1128 CZ2 TRP A 498 4.063 2.401 -2.063 1.00 0.58 C ATOM 1129 CZ3 TRP A 498 3.218 2.329 0.220 1.00 0.58 C ATOM 1130 CH2 TRP A 498 4.044 1.835 -0.788 1.00 0.58 C ATOM 0 H TRP A 498 1.174 6.722 2.553 1.00 0.58 H new ATOM 0 HA TRP A 498 2.491 5.657 0.876 1.00 0.58 H new ATOM 0 HB2 TRP A 498 0.649 6.727 -0.967 1.00 0.58 H new ATOM 0 HB3 TRP A 498 2.113 7.642 -1.270 1.00 0.58 H new ATOM 0 HD1 TRP A 498 2.656 6.459 -3.547 1.00 0.58 H new ATOM 0 HE1 TRP A 498 3.678 4.226 -4.232 1.00 0.58 H new ATOM 0 HE3 TRP A 498 1.806 3.862 0.765 1.00 0.58 H new ATOM 0 HZ2 TRP A 498 4.561 1.913 -2.888 1.00 0.58 H new ATOM 0 HZ3 TRP A 498 3.138 1.802 1.159 1.00 0.58 H new ATOM 0 HH2 TRP A 498 4.686 0.992 -0.577 1.00 0.58 H new ATOM 1141 N ALA A 499 4.127 7.964 0.042 1.00 0.33 N ATOM 1142 CA ALA A 499 5.423 8.636 0.190 1.00 0.33 C ATOM 1143 C ALA A 499 5.273 10.106 0.591 1.00 0.33 C ATOM 1144 O ALA A 499 4.309 10.740 0.165 1.00 0.33 O ATOM 1145 CB ALA A 499 6.250 8.455 -1.110 1.00 0.33 C ATOM 0 H ALA A 499 3.839 7.908 -0.935 1.00 0.33 H new ATOM 0 HA ALA A 499 5.967 8.168 1.011 1.00 0.33 H new ATOM 0 HB1 ALA A 499 7.213 8.954 -1.001 1.00 0.33 H new ATOM 0 HB2 ALA A 499 6.410 7.393 -1.294 1.00 0.33 H new ATOM 0 HB3 ALA A 499 5.708 8.891 -1.949 1.00 0.33 H new ATOM 1151 N ALA A 500 6.190 10.673 1.453 1.00 0.18 N ATOM 1152 CA ALA A 500 6.138 11.985 2.143 1.00 0.18 C ATOM 1153 C ALA A 500 5.430 13.180 1.508 1.00 0.18 C ATOM 1154 O ALA A 500 4.490 13.770 2.041 1.00 0.18 O ATOM 1155 CB ALA A 500 7.566 12.493 2.495 1.00 0.18 C ATOM 0 H ALA A 500 7.046 10.172 1.691 1.00 0.18 H new ATOM 0 HA ALA A 500 5.509 11.696 2.985 1.00 0.18 H new ATOM 0 HB1 ALA A 500 7.495 13.456 3.000 1.00 0.18 H new ATOM 0 HB2 ALA A 500 8.056 11.774 3.152 1.00 0.18 H new ATOM 0 HB3 ALA A 500 8.148 12.605 1.580 1.00 0.18 H new ATOM 1161 N GLY A 501 5.911 13.505 0.293 1.00 0.15 N ATOM 1162 CA GLY A 501 5.389 14.565 -0.537 1.00 0.15 C ATOM 1163 C GLY A 501 5.238 14.054 -1.921 1.00 0.15 C ATOM 1164 O GLY A 501 5.716 14.654 -2.877 1.00 0.15 O ATOM 0 H GLY A 501 6.696 13.013 -0.135 1.00 0.15 H new ATOM 0 HA2 GLY A 501 4.428 14.907 -0.153 1.00 0.15 H new ATOM 0 HA3 GLY A 501 6.061 15.423 -0.522 1.00 0.15 H new ATOM 1168 N ALA A 502 4.513 12.919 -2.081 1.00 0.13 N ATOM 1169 CA ALA A 502 4.198 12.242 -3.337 1.00 0.13 C ATOM 1170 C ALA A 502 3.107 12.918 -4.178 1.00 0.13 C ATOM 1171 O ALA A 502 2.456 12.288 -5.005 1.00 0.13 O ATOM 1172 CB ALA A 502 3.690 10.819 -3.016 1.00 0.13 C ATOM 0 H ALA A 502 4.114 12.432 -1.279 1.00 0.13 H new ATOM 0 HA ALA A 502 5.120 12.261 -3.918 1.00 0.13 H new ATOM 0 HB1 ALA A 502 3.450 10.300 -3.944 1.00 0.13 H new ATOM 0 HB2 ALA A 502 4.464 10.268 -2.482 1.00 0.13 H new ATOM 0 HB3 ALA A 502 2.796 10.883 -2.395 1.00 0.13 H new ATOM 1178 N GLY A 503 2.835 14.220 -3.922 1.00 0.12 N ATOM 1179 CA GLY A 503 1.725 14.984 -4.484 1.00 0.12 C ATOM 1180 C GLY A 503 0.640 15.172 -3.457 1.00 0.12 C ATOM 1181 O GLY A 503 -0.180 16.078 -3.565 1.00 0.12 O ATOM 0 H GLY A 503 3.413 14.777 -3.292 1.00 0.12 H new ATOM 0 HA2 GLY A 503 2.081 15.955 -4.827 1.00 0.12 H new ATOM 0 HA3 GLY A 503 1.324 14.466 -5.355 1.00 0.12 H new ATOM 1185 N ALA A 504 0.613 14.297 -2.419 1.00 0.14 N ATOM 1186 CA ALA A 504 -0.355 14.307 -1.334 1.00 0.14 C ATOM 1187 C ALA A 504 0.129 15.103 -0.121 1.00 0.14 C ATOM 1188 O ALA A 504 1.322 15.340 0.058 1.00 0.14 O ATOM 1189 CB ALA A 504 -0.701 12.855 -0.931 1.00 0.14 C ATOM 0 H ALA A 504 1.296 13.545 -2.328 1.00 0.14 H new ATOM 0 HA ALA A 504 -1.251 14.810 -1.697 1.00 0.14 H new ATOM 0 HB1 ALA A 504 -1.427 12.866 -0.118 1.00 0.14 H new ATOM 0 HB2 ALA A 504 -1.124 12.331 -1.788 1.00 0.14 H new ATOM 0 HB3 ALA A 504 0.204 12.343 -0.603 1.00 0.14 H new ATOM 1195 N THR A 505 -0.807 15.513 0.764 1.00 0.22 N ATOM 1196 CA THR A 505 -0.553 16.219 2.013 1.00 0.22 C ATOM 1197 C THR A 505 -0.334 15.225 3.157 1.00 0.22 C ATOM 1198 O THR A 505 -0.782 14.081 3.104 1.00 0.22 O ATOM 1199 CB THR A 505 -1.624 17.272 2.293 1.00 0.22 C ATOM 1200 OG1 THR A 505 -1.421 18.046 3.480 1.00 0.22 O ATOM 1201 CG2 THR A 505 -2.991 16.610 2.355 1.00 0.22 C ATOM 0 H THR A 505 -1.801 15.347 0.608 1.00 0.22 H new ATOM 0 HA THR A 505 0.375 16.783 1.920 1.00 0.22 H new ATOM 0 HB THR A 505 -1.556 17.977 1.464 1.00 0.22 H new ATOM 0 HG1 THR A 505 -2.151 18.693 3.578 1.00 0.22 H new ATOM 0 HG21 THR A 505 -3.752 17.364 2.555 1.00 0.22 H new ATOM 0 HG22 THR A 505 -3.203 16.124 1.403 1.00 0.22 H new ATOM 0 HG23 THR A 505 -2.999 15.866 3.152 1.00 0.22 H new ATOM 1209 N HIS A 506 0.339 15.672 4.258 1.00 0.30 N ATOM 1210 CA HIS A 506 0.590 14.940 5.500 1.00 0.30 C ATOM 1211 C HIS A 506 -0.692 15.010 6.311 1.00 0.30 C ATOM 1212 O HIS A 506 -1.057 16.034 6.884 1.00 0.30 O ATOM 1213 CB HIS A 506 1.799 15.527 6.277 1.00 0.30 C ATOM 1214 CG HIS A 506 2.085 14.892 7.616 1.00 0.30 C ATOM 1215 ND1 HIS A 506 3.085 13.978 7.859 1.00 0.30 N ATOM 1216 CD2 HIS A 506 1.466 15.089 8.811 1.00 0.30 C ATOM 1217 CE1 HIS A 506 3.028 13.670 9.179 1.00 0.30 C ATOM 1218 NE2 HIS A 506 2.057 14.314 9.793 1.00 0.30 N ATOM 0 H HIS A 506 0.737 16.611 4.286 1.00 0.30 H new ATOM 0 HA HIS A 506 0.856 13.904 5.292 1.00 0.30 H new ATOM 0 HB2 HIS A 506 2.688 15.434 5.654 1.00 0.30 H new ATOM 0 HB3 HIS A 506 1.627 16.592 6.430 1.00 0.30 H new ATOM 0 HD2 HIS A 506 0.632 15.756 8.971 1.00 0.30 H new ATOM 0 HE1 HIS A 506 3.699 12.979 9.668 1.00 0.30 H new ATOM 0 HE2 HIS A 506 1.797 14.254 10.778 1.00 0.30 H new ATOM 1226 N SER A 507 -1.467 13.911 6.248 1.00 0.26 N ATOM 1227 CA SER A 507 -2.854 13.919 6.713 1.00 0.26 C ATOM 1228 C SER A 507 -3.449 12.663 7.376 1.00 0.26 C ATOM 1229 O SER A 507 -4.443 12.121 6.881 1.00 0.26 O ATOM 1230 CB SER A 507 -3.706 14.457 5.544 1.00 0.26 C ATOM 1231 OG SER A 507 -3.657 15.880 5.433 1.00 0.26 O ATOM 0 H SER A 507 -1.152 13.013 5.880 1.00 0.26 H new ATOM 0 HA SER A 507 -2.867 14.563 7.592 1.00 0.26 H new ATOM 0 HB2 SER A 507 -3.358 14.012 4.612 1.00 0.26 H new ATOM 0 HB3 SER A 507 -4.741 14.143 5.680 1.00 0.26 H new ATOM 0 HG SER A 507 -2.923 16.226 5.982 1.00 0.26 H new ATOM 1237 N PRO A 508 -2.910 12.128 8.496 1.00 0.20 N ATOM 1238 CA PRO A 508 -3.464 11.004 9.283 1.00 0.20 C ATOM 1239 C PRO A 508 -4.849 11.220 9.937 1.00 0.20 C ATOM 1240 O PRO A 508 -5.142 12.361 10.296 1.00 0.20 O ATOM 1241 CB PRO A 508 -2.418 10.786 10.389 1.00 0.20 C ATOM 1242 CG PRO A 508 -1.141 11.208 9.690 1.00 0.20 C ATOM 1243 CD PRO A 508 -1.573 12.475 8.958 1.00 0.20 C ATOM 0 HA PRO A 508 -3.640 10.166 8.608 1.00 0.20 H new ATOM 0 HB2 PRO A 508 -2.622 11.393 11.271 1.00 0.20 H new ATOM 0 HB3 PRO A 508 -2.381 9.748 10.718 1.00 0.20 H new ATOM 0 HG2 PRO A 508 -0.335 11.402 10.398 1.00 0.20 H new ATOM 0 HG3 PRO A 508 -0.783 10.443 9.001 1.00 0.20 H new ATOM 0 HD2 PRO A 508 -1.584 13.342 9.618 1.00 0.20 H new ATOM 0 HD3 PRO A 508 -0.906 12.713 8.130 1.00 0.20 H new ATOM 1251 N PRO A 509 -5.701 10.185 10.130 1.00 0.37 N ATOM 1252 CA PRO A 509 -5.498 8.763 9.805 1.00 0.37 C ATOM 1253 C PRO A 509 -6.011 8.428 8.395 1.00 0.37 C ATOM 1254 O PRO A 509 -6.483 7.322 8.149 1.00 0.37 O ATOM 1255 CB PRO A 509 -6.367 8.099 10.887 1.00 0.37 C ATOM 1256 CG PRO A 509 -7.579 9.030 11.048 1.00 0.37 C ATOM 1257 CD PRO A 509 -7.004 10.421 10.753 1.00 0.37 C ATOM 0 HA PRO A 509 -4.455 8.445 9.798 1.00 0.37 H new ATOM 0 HB2 PRO A 509 -6.675 7.098 10.586 1.00 0.37 H new ATOM 0 HB3 PRO A 509 -5.821 7.996 11.825 1.00 0.37 H new ATOM 0 HG2 PRO A 509 -8.379 8.771 10.354 1.00 0.37 H new ATOM 0 HG3 PRO A 509 -7.998 8.974 12.053 1.00 0.37 H new ATOM 0 HD2 PRO A 509 -7.660 10.983 10.088 1.00 0.37 H new ATOM 0 HD3 PRO A 509 -6.901 11.005 11.668 1.00 0.37 H new ATOM 1265 N THR A 510 -5.935 9.398 7.453 1.00 0.65 N ATOM 1266 CA THR A 510 -6.492 9.343 6.107 1.00 0.65 C ATOM 1267 C THR A 510 -5.443 9.272 5.015 1.00 0.65 C ATOM 1268 O THR A 510 -5.670 8.656 3.975 1.00 0.65 O ATOM 1269 CB THR A 510 -7.492 10.491 5.856 1.00 0.65 C ATOM 1270 OG1 THR A 510 -7.029 11.810 6.190 1.00 0.65 O ATOM 1271 CG2 THR A 510 -8.712 10.242 6.761 1.00 0.65 C ATOM 0 H THR A 510 -5.456 10.280 7.635 1.00 0.65 H new ATOM 0 HA THR A 510 -7.038 8.401 6.055 1.00 0.65 H new ATOM 0 HB THR A 510 -7.686 10.478 4.783 1.00 0.65 H new ATOM 0 HG1 THR A 510 -6.081 11.771 6.436 1.00 0.65 H new ATOM 0 HG21 THR A 510 -9.444 11.036 6.612 1.00 0.65 H new ATOM 0 HG22 THR A 510 -9.162 9.282 6.509 1.00 0.65 H new ATOM 0 HG23 THR A 510 -8.395 10.232 7.804 1.00 0.65 H new ATOM 1279 N ASP A 511 -4.275 9.905 5.242 1.00 0.62 N ATOM 1280 CA ASP A 511 -3.186 10.007 4.315 1.00 0.62 C ATOM 1281 C ASP A 511 -1.974 9.768 5.189 1.00 0.62 C ATOM 1282 O ASP A 511 -1.519 10.640 5.933 1.00 0.62 O ATOM 1283 CB ASP A 511 -3.192 11.438 3.689 1.00 0.62 C ATOM 1284 CG ASP A 511 -2.615 11.429 2.273 1.00 0.62 C ATOM 1285 OD1 ASP A 511 -1.404 11.114 2.124 1.00 0.62 O ATOM 1286 OD2 ASP A 511 -3.382 11.733 1.322 1.00 0.62 O ATOM 0 H ASP A 511 -4.080 10.374 6.127 1.00 0.62 H new ATOM 0 HA ASP A 511 -3.224 9.309 3.479 1.00 0.62 H new ATOM 0 HB2 ASP A 511 -4.212 11.822 3.666 1.00 0.62 H new ATOM 0 HB3 ASP A 511 -2.611 12.114 4.316 1.00 0.62 H new ATOM 1291 N LEU A 512 -1.382 8.550 5.106 1.00 0.38 N ATOM 1292 CA LEU A 512 -0.222 8.179 5.913 1.00 0.38 C ATOM 1293 C LEU A 512 0.972 8.291 5.032 1.00 0.38 C ATOM 1294 O LEU A 512 1.328 7.414 4.250 1.00 0.38 O ATOM 1295 CB LEU A 512 -0.233 6.830 6.658 1.00 0.38 C ATOM 1296 CG LEU A 512 -1.371 6.664 7.688 1.00 0.38 C ATOM 1297 CD1 LEU A 512 -1.604 7.882 8.593 1.00 0.38 C ATOM 1298 CD2 LEU A 512 -2.635 6.205 6.957 1.00 0.38 C ATOM 0 H LEU A 512 -1.702 7.812 4.479 1.00 0.38 H new ATOM 0 HA LEU A 512 -0.224 8.873 6.753 1.00 0.38 H new ATOM 0 HB2 LEU A 512 -0.307 6.027 5.924 1.00 0.38 H new ATOM 0 HB3 LEU A 512 0.721 6.707 7.170 1.00 0.38 H new ATOM 0 HG LEU A 512 -1.064 5.896 8.398 1.00 0.38 H new ATOM 0 HD11 LEU A 512 -2.422 7.672 9.283 1.00 0.38 H new ATOM 0 HD12 LEU A 512 -0.697 8.093 9.159 1.00 0.38 H new ATOM 0 HD13 LEU A 512 -1.859 8.747 7.981 1.00 0.38 H new ATOM 0 HD21 LEU A 512 -3.447 6.084 7.674 1.00 0.38 H new ATOM 0 HD22 LEU A 512 -2.916 6.951 6.213 1.00 0.38 H new ATOM 0 HD23 LEU A 512 -2.444 5.253 6.462 1.00 0.38 H new ATOM 1310 N VAL A 513 1.554 9.485 5.208 1.00 0.38 N ATOM 1311 CA VAL A 513 2.676 10.099 4.578 1.00 0.38 C ATOM 1312 C VAL A 513 3.878 9.709 5.419 1.00 0.38 C ATOM 1313 O VAL A 513 4.017 10.006 6.611 1.00 0.38 O ATOM 1314 CB VAL A 513 2.322 11.577 4.402 1.00 0.38 C ATOM 1315 CG1 VAL A 513 3.378 12.557 4.919 1.00 0.38 C ATOM 1316 CG2 VAL A 513 1.958 11.800 2.920 1.00 0.38 C ATOM 0 H VAL A 513 1.169 10.118 5.909 1.00 0.38 H new ATOM 0 HA VAL A 513 2.936 9.780 3.569 1.00 0.38 H new ATOM 0 HB VAL A 513 1.466 11.803 5.037 1.00 0.38 H new ATOM 0 HG11 VAL A 513 3.039 13.579 4.751 1.00 0.38 H new ATOM 0 HG12 VAL A 513 3.532 12.396 5.986 1.00 0.38 H new ATOM 0 HG13 VAL A 513 4.316 12.394 4.389 1.00 0.38 H new ATOM 0 HG21 VAL A 513 1.700 12.847 2.762 1.00 0.38 H new ATOM 0 HG22 VAL A 513 2.810 11.538 2.293 1.00 0.38 H new ATOM 0 HG23 VAL A 513 1.106 11.173 2.656 1.00 0.38 H new ATOM 1326 N TRP A 514 4.736 8.917 4.754 1.00 0.57 N ATOM 1327 CA TRP A 514 5.924 8.276 5.291 1.00 0.57 C ATOM 1328 C TRP A 514 7.131 9.162 5.048 1.00 0.57 C ATOM 1329 O TRP A 514 7.157 9.989 4.148 1.00 0.57 O ATOM 1330 CB TRP A 514 5.942 6.801 4.811 1.00 0.57 C ATOM 1331 CG TRP A 514 7.260 6.083 4.689 1.00 0.57 C ATOM 1332 CD1 TRP A 514 8.106 6.291 3.655 1.00 0.57 C ATOM 1333 CD2 TRP A 514 7.923 5.164 5.575 1.00 0.57 C ATOM 1334 NE1 TRP A 514 9.161 5.431 3.724 1.00 0.57 N ATOM 1335 CE2 TRP A 514 9.118 4.790 4.929 1.00 0.57 C ATOM 1336 CE3 TRP A 514 7.610 4.679 6.837 1.00 0.57 C ATOM 1337 CZ2 TRP A 514 10.022 3.928 5.525 1.00 0.57 C ATOM 1338 CZ3 TRP A 514 8.555 3.842 7.451 1.00 0.57 C ATOM 1339 CH2 TRP A 514 9.739 3.463 6.810 1.00 0.57 C ATOM 0 H TRP A 514 4.600 8.701 3.766 1.00 0.57 H new ATOM 0 HA TRP A 514 5.937 8.180 6.377 1.00 0.57 H new ATOM 0 HB2 TRP A 514 5.318 6.226 5.495 1.00 0.57 H new ATOM 0 HB3 TRP A 514 5.459 6.768 3.834 1.00 0.57 H new ATOM 0 HD1 TRP A 514 7.966 7.034 2.884 1.00 0.57 H new ATOM 0 HE1 TRP A 514 9.864 5.290 2.998 1.00 0.57 H new ATOM 0 HE3 TRP A 514 6.681 4.934 7.325 1.00 0.57 H new ATOM 0 HZ2 TRP A 514 10.921 3.624 5.010 1.00 0.57 H new ATOM 0 HZ3 TRP A 514 8.362 3.479 8.450 1.00 0.57 H new ATOM 0 HH2 TRP A 514 10.437 2.808 7.311 1.00 0.57 H new ATOM 1350 N LYS A 515 8.122 9.001 5.941 1.00 0.60 N ATOM 1351 CA LYS A 515 9.243 9.905 6.145 1.00 0.60 C ATOM 1352 C LYS A 515 10.468 9.622 5.321 1.00 0.60 C ATOM 1353 O LYS A 515 11.042 10.535 4.734 1.00 0.60 O ATOM 1354 CB LYS A 515 9.603 9.958 7.654 1.00 0.60 C ATOM 1355 CG LYS A 515 8.446 10.513 8.505 1.00 0.60 C ATOM 1356 CD LYS A 515 8.782 10.558 10.003 1.00 0.60 C ATOM 1357 CE LYS A 515 7.670 11.173 10.866 1.00 0.60 C ATOM 1358 NZ LYS A 515 6.418 10.384 10.785 1.00 0.60 N ATOM 0 H LYS A 515 8.155 8.195 6.565 1.00 0.60 H new ATOM 0 HA LYS A 515 8.897 10.876 5.790 1.00 0.60 H new ATOM 0 HB2 LYS A 515 9.860 8.957 8.001 1.00 0.60 H new ATOM 0 HB3 LYS A 515 10.487 10.580 7.794 1.00 0.60 H new ATOM 0 HG2 LYS A 515 8.197 11.517 8.162 1.00 0.60 H new ATOM 0 HG3 LYS A 515 7.560 9.896 8.354 1.00 0.60 H new ATOM 0 HD2 LYS A 515 8.983 9.545 10.352 1.00 0.60 H new ATOM 0 HD3 LYS A 515 9.698 11.131 10.144 1.00 0.60 H new ATOM 0 HE2 LYS A 515 8.001 11.226 11.903 1.00 0.60 H new ATOM 0 HE3 LYS A 515 7.478 12.195 10.540 1.00 0.60 H new ATOM 0 HZ1 LYS A 515 5.716 10.778 11.444 1.00 0.60 H new ATOM 0 HZ2 LYS A 515 6.044 10.425 9.815 1.00 0.60 H new ATOM 0 HZ3 LYS A 515 6.614 9.395 11.039 1.00 0.60 H new ATOM 1372 N ALA A 516 10.881 8.329 5.257 1.00 0.54 N ATOM 1373 CA ALA A 516 12.120 7.872 4.609 1.00 0.54 C ATOM 1374 C ALA A 516 12.154 7.981 3.086 1.00 0.54 C ATOM 1375 O ALA A 516 13.182 8.277 2.485 1.00 0.54 O ATOM 1376 CB ALA A 516 12.447 6.431 5.036 1.00 0.54 C ATOM 0 H ALA A 516 10.343 7.565 5.666 1.00 0.54 H new ATOM 0 HA ALA A 516 12.882 8.568 4.959 1.00 0.54 H new ATOM 0 HB1 ALA A 516 13.366 6.107 4.548 1.00 0.54 H new ATOM 0 HB2 ALA A 516 12.577 6.393 6.118 1.00 0.54 H new ATOM 0 HB3 ALA A 516 11.630 5.771 4.745 1.00 0.54 H new ATOM 1382 N GLN A 517 10.981 7.774 2.472 1.00 0.69 N ATOM 1383 CA GLN A 517 10.725 7.920 1.077 1.00 0.69 C ATOM 1384 C GLN A 517 9.822 9.119 0.839 1.00 0.69 C ATOM 1385 O GLN A 517 8.701 9.217 1.335 1.00 0.69 O ATOM 1386 CB GLN A 517 10.239 6.619 0.457 1.00 0.69 C ATOM 1387 CG GLN A 517 9.889 6.850 -1.005 1.00 0.69 C ATOM 1388 CD GLN A 517 9.994 5.614 -1.859 1.00 0.69 C ATOM 1389 OE1 GLN A 517 11.105 5.143 -2.107 1.00 0.69 O ATOM 1390 NE2 GLN A 517 8.825 5.071 -2.270 1.00 0.69 N ATOM 0 H GLN A 517 10.151 7.483 2.989 1.00 0.69 H new ATOM 0 HA GLN A 517 11.656 8.134 0.552 1.00 0.69 H new ATOM 0 HB2 GLN A 517 11.011 5.854 0.540 1.00 0.69 H new ATOM 0 HB3 GLN A 517 9.366 6.251 0.997 1.00 0.69 H new ATOM 0 HG2 GLN A 517 8.873 7.238 -1.068 1.00 0.69 H new ATOM 0 HG3 GLN A 517 10.549 7.617 -1.410 1.00 0.69 H new ATOM 0 HE21 GLN A 517 7.941 5.518 -2.026 1.00 0.69 H new ATOM 0 HE22 GLN A 517 8.827 4.215 -2.824 1.00 0.69 H new ATOM 1520 N ARG A 527 6.644 -3.763 -6.492 1.00 0.46 N ATOM 1521 CA ARG A 527 5.680 -4.588 -5.805 1.00 0.46 C ATOM 1522 C ARG A 527 5.587 -4.020 -4.421 1.00 0.46 C ATOM 1523 O ARG A 527 6.583 -3.598 -3.818 1.00 0.46 O ATOM 1524 CB ARG A 527 6.018 -6.106 -5.790 1.00 0.46 C ATOM 1525 CG ARG A 527 7.328 -6.508 -5.091 1.00 0.46 C ATOM 1526 CD ARG A 527 7.446 -8.018 -4.803 1.00 0.46 C ATOM 1527 NE ARG A 527 6.356 -8.448 -3.849 1.00 0.46 N ATOM 1528 CZ ARG A 527 6.365 -8.206 -2.498 1.00 0.46 C ATOM 1529 NH1 ARG A 527 7.421 -7.592 -1.892 1.00 0.46 N ATOM 1530 NH2 ARG A 527 5.287 -8.584 -1.748 1.00 0.46 N ATOM 0 HA ARG A 527 4.727 -4.559 -6.334 1.00 0.46 H new ATOM 0 HB2 ARG A 527 5.196 -6.634 -5.306 1.00 0.46 H new ATOM 0 HB3 ARG A 527 6.059 -6.457 -6.821 1.00 0.46 H new ATOM 0 HG2 ARG A 527 8.169 -6.200 -5.712 1.00 0.46 H new ATOM 0 HG3 ARG A 527 7.409 -5.962 -4.151 1.00 0.46 H new ATOM 0 HD2 ARG A 527 7.370 -8.581 -5.733 1.00 0.46 H new ATOM 0 HD3 ARG A 527 8.424 -8.240 -4.375 1.00 0.46 H new ATOM 0 HE ARG A 527 5.559 -8.953 -4.236 1.00 0.46 H new ATOM 0 HH11 ARG A 527 8.228 -7.302 -2.444 1.00 0.46 H new ATOM 0 HH12 ARG A 527 7.404 -7.423 -0.886 1.00 0.46 H new ATOM 0 HH21 ARG A 527 4.490 -9.039 -2.193 1.00 0.46 H new ATOM 0 HH22 ARG A 527 5.279 -8.411 -0.743 1.00 0.46 H new ATOM 1544 N THR A 528 4.348 -3.966 -3.893 1.00 0.24 N ATOM 1545 CA THR A 528 4.055 -3.467 -2.563 1.00 0.24 C ATOM 1546 C THR A 528 2.922 -4.342 -2.085 1.00 0.24 C ATOM 1547 O THR A 528 2.003 -4.656 -2.840 1.00 0.24 O ATOM 1548 CB THR A 528 3.691 -1.979 -2.586 1.00 0.24 C ATOM 1549 OG1 THR A 528 4.792 -1.214 -3.057 1.00 0.24 O ATOM 1550 CG2 THR A 528 3.307 -1.411 -1.215 1.00 0.24 C ATOM 0 H THR A 528 3.519 -4.277 -4.399 1.00 0.24 H new ATOM 0 HA THR A 528 4.912 -3.519 -1.892 1.00 0.24 H new ATOM 0 HB THR A 528 2.824 -1.908 -3.243 1.00 0.24 H new ATOM 0 HG1 THR A 528 4.549 -0.265 -3.070 1.00 0.24 H new ATOM 0 HG21 THR A 528 3.063 -0.353 -1.315 1.00 0.24 H new ATOM 0 HG22 THR A 528 2.441 -1.948 -0.828 1.00 0.24 H new ATOM 0 HG23 THR A 528 4.143 -1.527 -0.526 1.00 0.24 H new ATOM 1558 N ALA A 529 2.932 -4.781 -0.817 1.00 0.22 N ATOM 1559 CA ALA A 529 1.857 -5.591 -0.275 1.00 0.22 C ATOM 1560 C ALA A 529 1.623 -5.188 1.154 1.00 0.22 C ATOM 1561 O ALA A 529 2.584 -4.925 1.866 1.00 0.22 O ATOM 1562 CB ALA A 529 2.235 -7.093 -0.306 1.00 0.22 C ATOM 0 H ALA A 529 3.681 -4.582 -0.154 1.00 0.22 H new ATOM 0 HA ALA A 529 0.961 -5.436 -0.877 1.00 0.22 H new ATOM 0 HB1 ALA A 529 1.416 -7.683 0.105 1.00 0.22 H new ATOM 0 HB2 ALA A 529 2.423 -7.400 -1.335 1.00 0.22 H new ATOM 0 HB3 ALA A 529 3.133 -7.255 0.290 1.00 0.22 H new ATOM 1568 N LEU A 530 0.352 -5.171 1.640 1.00 0.44 N ATOM 1569 CA LEU A 530 -0.020 -4.941 3.027 1.00 0.44 C ATOM 1570 C LEU A 530 -0.255 -6.253 3.802 1.00 0.44 C ATOM 1571 O LEU A 530 -0.957 -7.172 3.344 1.00 0.44 O ATOM 1572 CB LEU A 530 -1.186 -3.900 3.064 1.00 0.44 C ATOM 1573 CG LEU A 530 -1.795 -3.477 4.423 1.00 0.44 C ATOM 1574 CD1 LEU A 530 -2.972 -4.404 4.769 1.00 0.44 C ATOM 1575 CD2 LEU A 530 -0.818 -3.317 5.598 1.00 0.44 C ATOM 0 H LEU A 530 -0.457 -5.325 1.039 1.00 0.44 H new ATOM 0 HA LEU A 530 0.809 -4.498 3.579 1.00 0.44 H new ATOM 0 HB2 LEU A 530 -0.830 -2.995 2.571 1.00 0.44 H new ATOM 0 HB3 LEU A 530 -1.997 -4.298 2.454 1.00 0.44 H new ATOM 0 HG LEU A 530 -2.144 -2.455 4.275 1.00 0.44 H new ATOM 0 HD11 LEU A 530 -3.401 -4.106 5.726 1.00 0.44 H new ATOM 0 HD12 LEU A 530 -3.733 -4.331 3.992 1.00 0.44 H new ATOM 0 HD13 LEU A 530 -2.618 -5.433 4.835 1.00 0.44 H new ATOM 0 HD21 LEU A 530 -1.368 -3.019 6.490 1.00 0.44 H new ATOM 0 HD22 LEU A 530 -0.313 -4.265 5.783 1.00 0.44 H new ATOM 0 HD23 LEU A 530 -0.079 -2.554 5.355 1.00 0.44 H new ATOM 1587 N ILE A 531 0.315 -6.287 5.066 1.00 0.48 N ATOM 1588 CA ILE A 531 0.210 -7.282 6.113 1.00 0.48 C ATOM 1589 C ILE A 531 -0.745 -6.611 7.046 1.00 0.48 C ATOM 1590 O ILE A 531 -0.419 -5.528 7.553 1.00 0.48 O ATOM 1591 CB ILE A 531 1.493 -7.512 6.932 1.00 0.48 C ATOM 1592 CG1 ILE A 531 2.720 -7.760 6.063 1.00 0.48 C ATOM 1593 CG2 ILE A 531 1.331 -8.650 7.937 1.00 0.48 C ATOM 1594 CD1 ILE A 531 2.571 -8.810 4.954 1.00 0.48 C ATOM 0 H ILE A 531 0.914 -5.519 5.367 1.00 0.48 H new ATOM 0 HA ILE A 531 -0.052 -8.251 5.687 1.00 0.48 H new ATOM 0 HB ILE A 531 1.658 -6.582 7.476 1.00 0.48 H new ATOM 0 HG12 ILE A 531 3.009 -6.815 5.602 1.00 0.48 H new ATOM 0 HG13 ILE A 531 3.542 -8.063 6.711 1.00 0.48 H new ATOM 0 HG21 ILE A 531 2.259 -8.779 8.494 1.00 0.48 H new ATOM 0 HG22 ILE A 531 0.523 -8.412 8.629 1.00 0.48 H new ATOM 0 HG23 ILE A 531 1.095 -9.573 7.407 1.00 0.48 H new ATOM 0 HD11 ILE A 531 3.509 -8.896 4.406 1.00 0.48 H new ATOM 0 HD12 ILE A 531 2.320 -9.774 5.397 1.00 0.48 H new ATOM 0 HD13 ILE A 531 1.778 -8.507 4.270 1.00 0.48 H new ATOM 1606 N ASN A 532 -1.929 -7.242 7.272 1.00 0.42 N ATOM 1607 CA ASN A 532 -3.001 -6.745 8.118 1.00 0.42 C ATOM 1608 C ASN A 532 -2.666 -6.621 9.613 1.00 0.42 C ATOM 1609 O ASN A 532 -1.543 -6.455 10.072 1.00 0.42 O ATOM 1610 CB ASN A 532 -4.386 -7.441 7.867 1.00 0.42 C ATOM 1611 CG ASN A 532 -4.616 -8.771 8.596 1.00 0.42 C ATOM 1612 OD1 ASN A 532 -5.391 -8.846 9.558 1.00 0.42 O ATOM 1613 ND2 ASN A 532 -3.849 -9.808 8.213 1.00 0.42 N ATOM 0 H ASN A 532 -2.152 -8.142 6.846 1.00 0.42 H new ATOM 0 HA ASN A 532 -3.109 -5.714 7.781 1.00 0.42 H new ATOM 0 HB2 ASN A 532 -5.176 -6.749 8.159 1.00 0.42 H new ATOM 0 HB3 ASN A 532 -4.494 -7.614 6.796 1.00 0.42 H new ATOM 0 HD21 ASN A 532 -3.895 -10.691 8.721 1.00 0.42 H new ATOM 0 HD22 ASN A 532 -3.221 -9.711 7.415 1.00 0.42 H new ATOM 1620 N SER A 533 -3.712 -6.690 10.440 1.00 0.53 N ATOM 1621 CA SER A 533 -3.733 -6.524 11.864 1.00 0.53 C ATOM 1622 C SER A 533 -3.233 -7.719 12.682 1.00 0.53 C ATOM 1623 O SER A 533 -3.052 -7.639 13.893 1.00 0.53 O ATOM 1624 CB SER A 533 -5.233 -6.414 12.237 1.00 0.53 C ATOM 1625 OG SER A 533 -5.883 -5.589 11.282 1.00 0.53 O ATOM 0 H SER A 533 -4.646 -6.883 10.078 1.00 0.53 H new ATOM 0 HA SER A 533 -3.088 -5.675 12.089 1.00 0.53 H new ATOM 0 HB2 SER A 533 -5.691 -7.403 12.255 1.00 0.53 H new ATOM 0 HB3 SER A 533 -5.343 -5.993 13.236 1.00 0.53 H new ATOM 0 HG SER A 533 -5.484 -4.694 11.297 1.00 0.53 H new ATOM 1631 N THR A 534 -3.120 -8.879 11.993 1.00 0.57 N ATOM 1632 CA THR A 534 -2.914 -10.217 12.550 1.00 0.57 C ATOM 1633 C THR A 534 -1.585 -10.806 12.127 1.00 0.57 C ATOM 1634 O THR A 534 -1.197 -11.889 12.557 1.00 0.57 O ATOM 1635 CB THR A 534 -4.054 -11.143 12.094 1.00 0.57 C ATOM 1636 OG1 THR A 534 -4.298 -11.047 10.689 1.00 0.57 O ATOM 1637 CG2 THR A 534 -5.357 -10.733 12.804 1.00 0.57 C ATOM 0 H THR A 534 -3.175 -8.896 10.975 1.00 0.57 H new ATOM 0 HA THR A 534 -2.909 -10.129 13.636 1.00 0.57 H new ATOM 0 HB THR A 534 -3.754 -12.162 12.339 1.00 0.57 H new ATOM 0 HG1 THR A 534 -4.824 -10.242 10.503 1.00 0.57 H new ATOM 0 HG21 THR A 534 -6.168 -11.387 12.483 1.00 0.57 H new ATOM 0 HG22 THR A 534 -5.226 -10.819 13.883 1.00 0.57 H new ATOM 0 HG23 THR A 534 -5.601 -9.702 12.550 1.00 0.57 H new ATOM 1645 N GLY A 535 -0.904 -10.085 11.208 1.00 0.49 N ATOM 1646 CA GLY A 535 0.334 -10.437 10.526 1.00 0.49 C ATOM 1647 C GLY A 535 0.227 -11.449 9.404 1.00 0.49 C ATOM 1648 O GLY A 535 1.095 -12.290 9.219 1.00 0.49 O ATOM 0 H GLY A 535 -1.244 -9.171 10.910 1.00 0.49 H new ATOM 0 HA2 GLY A 535 0.771 -9.524 10.121 1.00 0.49 H new ATOM 0 HA3 GLY A 535 1.033 -10.823 11.267 1.00 0.49 H new ATOM 1652 N GLU A 536 -0.849 -11.357 8.588 1.00 0.56 N ATOM 1653 CA GLU A 536 -1.116 -12.135 7.406 1.00 0.56 C ATOM 1654 C GLU A 536 -1.198 -11.089 6.335 1.00 0.56 C ATOM 1655 O GLU A 536 -1.712 -10.001 6.576 1.00 0.56 O ATOM 1656 CB GLU A 536 -2.467 -12.898 7.406 1.00 0.56 C ATOM 1657 CG GLU A 536 -2.453 -14.019 8.452 1.00 0.56 C ATOM 1658 CD GLU A 536 -3.875 -14.404 8.843 1.00 0.56 C ATOM 1659 OE1 GLU A 536 -4.638 -14.847 7.942 1.00 0.56 O ATOM 1660 OE2 GLU A 536 -4.220 -14.262 10.046 1.00 0.56 O ATOM 0 H GLU A 536 -1.592 -10.683 8.772 1.00 0.56 H new ATOM 0 HA GLU A 536 -0.352 -12.905 7.296 1.00 0.56 H new ATOM 0 HB2 GLU A 536 -3.282 -12.206 7.618 1.00 0.56 H new ATOM 0 HB3 GLU A 536 -2.654 -13.318 6.418 1.00 0.56 H new ATOM 0 HG2 GLU A 536 -1.931 -14.889 8.054 1.00 0.56 H new ATOM 0 HG3 GLU A 536 -1.903 -13.694 9.335 1.00 0.56 H new ATOM 1667 N GLU A 537 -0.757 -11.420 5.118 1.00 0.57 N ATOM 1668 CA GLU A 537 -0.881 -10.614 3.899 1.00 0.57 C ATOM 1669 C GLU A 537 -2.310 -10.671 3.363 1.00 0.57 C ATOM 1670 O GLU A 537 -2.889 -11.741 3.183 1.00 0.57 O ATOM 1671 CB GLU A 537 0.116 -11.033 2.801 1.00 0.57 C ATOM 1672 CG GLU A 537 0.328 -9.953 1.723 1.00 0.57 C ATOM 1673 CD GLU A 537 1.259 -10.482 0.635 1.00 0.57 C ATOM 1674 OE1 GLU A 537 2.447 -10.755 0.953 1.00 0.57 O ATOM 1675 OE2 GLU A 537 0.797 -10.612 -0.531 1.00 0.57 O ATOM 0 H GLU A 537 -0.278 -12.304 4.947 1.00 0.57 H new ATOM 0 HA GLU A 537 -0.637 -9.588 4.176 1.00 0.57 H new ATOM 0 HB2 GLU A 537 1.075 -11.269 3.262 1.00 0.57 H new ATOM 0 HB3 GLU A 537 -0.242 -11.946 2.325 1.00 0.57 H new ATOM 0 HG2 GLU A 537 -0.630 -9.668 1.288 1.00 0.57 H new ATOM 0 HG3 GLU A 537 0.753 -9.056 2.173 1.00 0.57 H new ATOM 1682 N VAL A 538 -2.922 -9.484 3.173 1.00 0.44 N ATOM 1683 CA VAL A 538 -4.346 -9.369 2.822 1.00 0.44 C ATOM 1684 C VAL A 538 -4.640 -8.516 1.629 1.00 0.44 C ATOM 1685 O VAL A 538 -5.712 -8.611 1.057 1.00 0.44 O ATOM 1686 CB VAL A 538 -5.253 -8.971 4.002 1.00 0.44 C ATOM 1687 CG1 VAL A 538 -4.813 -9.664 5.300 1.00 0.44 C ATOM 1688 CG2 VAL A 538 -5.291 -7.446 4.255 1.00 0.44 C ATOM 0 H VAL A 538 -2.444 -8.587 3.259 1.00 0.44 H new ATOM 0 HA VAL A 538 -4.595 -10.392 2.540 1.00 0.44 H new ATOM 0 HB VAL A 538 -6.253 -9.296 3.716 1.00 0.44 H new ATOM 0 HG11 VAL A 538 -5.472 -9.363 6.114 1.00 0.44 H new ATOM 0 HG12 VAL A 538 -4.865 -10.745 5.171 1.00 0.44 H new ATOM 0 HG13 VAL A 538 -3.789 -9.376 5.537 1.00 0.44 H new ATOM 0 HG21 VAL A 538 -5.947 -7.233 5.099 1.00 0.44 H new ATOM 0 HG22 VAL A 538 -4.286 -7.089 4.478 1.00 0.44 H new ATOM 0 HG23 VAL A 538 -5.667 -6.939 3.366 1.00 0.44 H new ATOM 1698 N ALA A 539 -3.760 -7.598 1.217 1.00 0.31 N ATOM 1699 CA ALA A 539 -4.033 -6.799 0.032 1.00 0.31 C ATOM 1700 C ALA A 539 -2.729 -6.421 -0.583 1.00 0.31 C ATOM 1701 O ALA A 539 -1.929 -5.681 -0.013 1.00 0.31 O ATOM 1702 CB ALA A 539 -5.028 -5.645 0.227 1.00 0.31 C ATOM 0 H ALA A 539 -2.873 -7.397 1.679 1.00 0.31 H new ATOM 0 HA ALA A 539 -4.590 -7.411 -0.678 1.00 0.31 H new ATOM 0 HB1 ALA A 539 -5.160 -5.115 -0.716 1.00 0.31 H new ATOM 0 HB2 ALA A 539 -5.988 -6.044 0.556 1.00 0.31 H new ATOM 0 HB3 ALA A 539 -4.644 -4.957 0.980 1.00 0.31 H new ATOM 1708 N MET A 540 -2.457 -6.981 -1.773 1.00 0.46 N ATOM 1709 CA MET A 540 -1.231 -6.837 -2.519 1.00 0.46 C ATOM 1710 C MET A 540 -1.441 -6.075 -3.815 1.00 0.46 C ATOM 1711 O MET A 540 -2.497 -6.203 -4.435 1.00 0.46 O ATOM 1712 CB MET A 540 -0.655 -8.276 -2.670 1.00 0.46 C ATOM 1713 CG MET A 540 -0.821 -9.077 -3.986 1.00 0.46 C ATOM 1714 SD MET A 540 0.721 -9.728 -4.691 1.00 0.46 S ATOM 1715 CE MET A 540 1.293 -8.126 -5.318 1.00 0.46 C ATOM 0 H MET A 540 -3.134 -7.575 -2.252 1.00 0.46 H new ATOM 0 HA MET A 540 -0.497 -6.217 -2.004 1.00 0.46 H new ATOM 0 HB2 MET A 540 0.415 -8.212 -2.470 1.00 0.46 H new ATOM 0 HB3 MET A 540 -1.093 -8.878 -1.874 1.00 0.46 H new ATOM 0 HG2 MET A 540 -1.499 -9.911 -3.803 1.00 0.46 H new ATOM 0 HG3 MET A 540 -1.298 -8.435 -4.726 1.00 0.46 H new ATOM 0 HE1 MET A 540 2.256 -8.252 -5.814 1.00 0.46 H new ATOM 0 HE2 MET A 540 0.567 -7.734 -6.030 1.00 0.46 H new ATOM 0 HE3 MET A 540 1.401 -7.428 -4.488 1.00 0.46 H new ATOM 1725 N ARG A 541 -0.432 -5.278 -4.268 1.00 0.63 N ATOM 1726 CA ARG A 541 -0.427 -4.547 -5.523 1.00 0.63 C ATOM 1727 C ARG A 541 0.908 -4.744 -6.259 1.00 0.63 C ATOM 1728 O ARG A 541 1.969 -4.898 -5.637 1.00 0.63 O ATOM 1729 CB ARG A 541 -0.696 -3.031 -5.256 1.00 0.63 C ATOM 1730 CG ARG A 541 0.411 -2.259 -4.493 1.00 0.63 C ATOM 1731 CD ARG A 541 0.023 -1.559 -3.172 1.00 0.63 C ATOM 1732 NE ARG A 541 -0.612 -2.517 -2.202 1.00 0.63 N ATOM 1733 CZ ARG A 541 -0.722 -2.242 -0.864 1.00 0.63 C ATOM 1734 NH1 ARG A 541 0.103 -1.350 -0.248 1.00 0.63 N ATOM 1735 NH2 ARG A 541 -1.697 -2.851 -0.134 1.00 0.63 N ATOM 0 H ARG A 541 0.424 -5.136 -3.731 1.00 0.63 H new ATOM 0 HA ARG A 541 -1.221 -4.935 -6.161 1.00 0.63 H new ATOM 0 HB2 ARG A 541 -0.857 -2.538 -6.215 1.00 0.63 H new ATOM 0 HB3 ARG A 541 -1.625 -2.943 -4.692 1.00 0.63 H new ATOM 0 HG2 ARG A 541 1.218 -2.959 -4.276 1.00 0.63 H new ATOM 0 HG3 ARG A 541 0.816 -1.503 -5.166 1.00 0.63 H new ATOM 0 HD2 ARG A 541 0.911 -1.118 -2.719 1.00 0.63 H new ATOM 0 HD3 ARG A 541 -0.667 -0.742 -3.382 1.00 0.63 H new ATOM 0 HE ARG A 541 -0.974 -3.404 -2.553 1.00 0.63 H new ATOM 0 HH11 ARG A 541 0.824 -0.868 -0.784 1.00 0.63 H new ATOM 0 HH12 ARG A 541 -0.001 -1.164 0.750 1.00 0.63 H new ATOM 0 HH21 ARG A 541 -2.337 -3.505 -0.584 1.00 0.63 H new ATOM 0 HH22 ARG A 541 -1.787 -2.653 0.863 1.00 0.63 H new ATOM 1749 N LYS A 542 0.917 -4.720 -7.619 1.00 0.41 N ATOM 1750 CA LYS A 542 2.148 -4.811 -8.385 1.00 0.41 C ATOM 1751 C LYS A 542 1.980 -3.998 -9.658 1.00 0.41 C ATOM 1752 O LYS A 542 0.983 -4.110 -10.377 1.00 0.41 O ATOM 1753 CB LYS A 542 2.562 -6.282 -8.677 1.00 0.41 C ATOM 1754 CG LYS A 542 4.026 -6.492 -9.095 1.00 0.41 C ATOM 1755 CD LYS A 542 4.364 -7.982 -9.235 1.00 0.41 C ATOM 1756 CE LYS A 542 5.852 -8.224 -9.528 1.00 0.41 C ATOM 1757 NZ LYS A 542 6.141 -9.670 -9.670 1.00 0.41 N ATOM 0 H LYS A 542 0.075 -4.638 -8.189 1.00 0.41 H new ATOM 0 HA LYS A 542 2.967 -4.399 -7.795 1.00 0.41 H new ATOM 0 HB2 LYS A 542 2.369 -6.878 -7.785 1.00 0.41 H new ATOM 0 HB3 LYS A 542 1.919 -6.671 -9.466 1.00 0.41 H new ATOM 0 HG2 LYS A 542 4.211 -5.986 -10.042 1.00 0.41 H new ATOM 0 HG3 LYS A 542 4.685 -6.036 -8.356 1.00 0.41 H new ATOM 0 HD2 LYS A 542 4.089 -8.501 -8.317 1.00 0.41 H new ATOM 0 HD3 LYS A 542 3.765 -8.413 -10.037 1.00 0.41 H new ATOM 0 HE2 LYS A 542 6.135 -7.702 -10.442 1.00 0.41 H new ATOM 0 HE3 LYS A 542 6.457 -7.807 -8.723 1.00 0.41 H new ATOM 0 HZ1 LYS A 542 7.153 -9.804 -9.867 1.00 0.41 H new ATOM 0 HZ2 LYS A 542 5.892 -10.162 -8.788 1.00 0.41 H new ATOM 0 HZ3 LYS A 542 5.581 -10.061 -10.454 1.00 0.41 H new ATOM 1771 N LEU A 543 2.995 -3.149 -9.969 1.00 0.31 N ATOM 1772 CA LEU A 543 3.056 -2.315 -11.164 1.00 0.31 C ATOM 1773 C LEU A 543 4.354 -2.759 -11.845 1.00 0.31 C ATOM 1774 O LEU A 543 5.411 -2.833 -11.207 1.00 0.31 O ATOM 1775 CB LEU A 543 2.953 -0.814 -10.789 1.00 0.31 C ATOM 1776 CG LEU A 543 1.488 -0.297 -10.776 1.00 0.31 C ATOM 1777 CD1 LEU A 543 0.836 -0.385 -9.388 1.00 0.31 C ATOM 1778 CD2 LEU A 543 1.369 1.141 -11.316 1.00 0.31 C ATOM 0 H LEU A 543 3.810 -3.034 -9.367 1.00 0.31 H new ATOM 0 HA LEU A 543 2.224 -2.435 -11.858 1.00 0.31 H new ATOM 0 HB2 LEU A 543 3.397 -0.658 -9.806 1.00 0.31 H new ATOM 0 HB3 LEU A 543 3.535 -0.226 -11.499 1.00 0.31 H new ATOM 0 HG LEU A 543 0.946 -0.965 -11.445 1.00 0.31 H new ATOM 0 HD11 LEU A 543 -0.186 -0.010 -9.442 1.00 0.31 H new ATOM 0 HD12 LEU A 543 0.825 -1.423 -9.057 1.00 0.31 H new ATOM 0 HD13 LEU A 543 1.406 0.216 -8.679 1.00 0.31 H new ATOM 0 HD21 LEU A 543 0.326 1.456 -11.286 1.00 0.31 H new ATOM 0 HD22 LEU A 543 1.968 1.812 -10.700 1.00 0.31 H new ATOM 0 HD23 LEU A 543 1.729 1.174 -12.344 1.00 0.31 H new