USER MOD reduce.3.24.130724 H: found=0, std=0, add=712, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 709 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 512 ASN : amide:sc= -0.0682 K(o=-0.068,f=-2.1!) USER MOD Set 1.2: A 517 TYR OH : rot 180:sc= 0 USER MOD Single : A 446 CYS SG : rot 35:sc= -0.0941 USER MOD Single : A 454 TYR OH : rot 30:sc= 0.595 USER MOD Single : A 457 THR OG1 : rot 180:sc= 0.077 USER MOD Single : A 470 THR OG1 : rot -34:sc= 0.0477 USER MOD Single : A 474 THR OG1 : rot 180:sc= 0.0104 USER MOD Single : A 475 HIS : no HD1:sc= -0.119 X(o=-0.12,f=-0.12) USER MOD Single : A 478 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 479 MET CE :methyl 180:sc= -0.0192 (180deg=-0.0192) USER MOD Single : A 482 ASN : amide:sc= 0.148 K(o=0.15,f=-3.6!) USER MOD Single : A 483 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 484 GLN : amide:sc= -1.24 K(o=-1.2,f=-3.1!) USER MOD Single : A 488 SER OG : rot 180:sc= 0 USER MOD Single : A 494 GLN : amide:sc= 0.695 K(o=0.7,f=-3.3!) USER MOD Single : A 495 MET CE :methyl 162:sc= -2.32! (180deg=-3.79!) USER MOD Single : A 496 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 497 SER OG : rot 180:sc= 0 USER MOD Single : A 503 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 506 GLN : amide:sc= -0.0224 K(o=-0.022,f=-1.4!) USER MOD Single : A 507 LYS NZ :NH3+ -137:sc= 1.7 (180deg=0.964) USER MOD Single : A 508 CYS SG : rot -107:sc= -0.0545 USER MOD Single : A 509 HIS : no HE2:sc= 0.469 K(o=0.47,f=-1.5) USER MOD Single : A 510 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 511 LYS NZ :NH3+ -154:sc= 0.273 (180deg=-0.897!) USER MOD Single : A 513 MET CE :methyl 180:sc=-0.00146 (180deg=-0.00146) USER MOD Single : A 514 LYS NZ :NH3+ -169:sc= -0.0229 (180deg=-0.205) USER MOD Single : A 522 GLN : amide:sc= -6.75! C(o=-6.8!,f=-4.9!) USER MOD Single : A 523 CYS SG : rot -170:sc= -0.49 USER MOD Single : A 524 SER OG : rot 180:sc= 0.19 USER MOD Single : A 528 MET CE :methyl 152:sc= 0 (180deg=-0.0125) USER MOD Single : A 529 ASN : amide:sc= 0 X(o=0,f=-0.013) USER MOD ----------------------------------------------------------------- ATOM 76 N VAL A 443 2.193 8.385 -4.069 1.00 65.05 N ATOM 77 CA VAL A 443 1.246 8.857 -3.096 1.00 44.42 C ATOM 78 C VAL A 443 0.657 7.674 -2.345 1.00 72.11 C ATOM 79 O VAL A 443 0.654 6.536 -2.844 1.00 40.24 O ATOM 80 CB VAL A 443 0.098 9.672 -3.803 1.00 12.34 C ATOM 81 CG1 VAL A 443 -0.878 10.297 -2.814 1.00 20.35 C ATOM 82 CG2 VAL A 443 0.670 10.743 -4.716 1.00 12.11 C ATOM 0 HA VAL A 443 1.756 9.514 -2.392 1.00 44.42 H new ATOM 0 HB VAL A 443 -0.461 8.952 -4.401 1.00 12.34 H new ATOM 0 HG11 VAL A 443 -1.646 10.846 -3.359 1.00 20.35 H new ATOM 0 HG12 VAL A 443 -1.345 9.512 -2.219 1.00 20.35 H new ATOM 0 HG13 VAL A 443 -0.342 10.981 -2.156 1.00 20.35 H new ATOM 0 HG21 VAL A 443 -0.145 11.290 -5.191 1.00 12.11 H new ATOM 0 HG22 VAL A 443 1.278 11.433 -4.131 1.00 12.11 H new ATOM 0 HG23 VAL A 443 1.288 10.276 -5.482 1.00 12.11 H new ATOM 92 N ARG A 444 0.188 7.924 -1.149 1.00 23.11 N ATOM 93 CA ARG A 444 -0.470 6.916 -0.357 1.00 13.54 C ATOM 94 C ARG A 444 -1.971 6.887 -0.704 1.00 60.51 C ATOM 95 O ARG A 444 -2.851 6.906 0.158 1.00 63.15 O ATOM 96 CB ARG A 444 -0.212 7.135 1.144 1.00 73.52 C ATOM 97 CG ARG A 444 -0.759 8.420 1.730 1.00 72.33 C ATOM 98 CD ARG A 444 -0.609 8.430 3.237 1.00 41.35 C ATOM 99 NE ARG A 444 -1.305 9.563 3.841 1.00 2.44 N ATOM 100 CZ ARG A 444 -1.837 9.578 5.072 1.00 65.51 C ATOM 101 NH1 ARG A 444 -1.740 8.511 5.871 1.00 75.14 N ATOM 102 NH2 ARG A 444 -2.464 10.664 5.498 1.00 10.12 N ATOM 0 H ARG A 444 0.252 8.835 -0.695 1.00 23.11 H new ATOM 0 HA ARG A 444 -0.054 5.937 -0.596 1.00 13.54 H new ATOM 0 HB2 ARG A 444 -0.642 6.297 1.693 1.00 73.52 H new ATOM 0 HB3 ARG A 444 0.864 7.110 1.315 1.00 73.52 H new ATOM 0 HG2 ARG A 444 -0.233 9.273 1.302 1.00 72.33 H new ATOM 0 HG3 ARG A 444 -1.811 8.528 1.464 1.00 72.33 H new ATOM 0 HD2 ARG A 444 -1.002 7.500 3.648 1.00 41.35 H new ATOM 0 HD3 ARG A 444 0.449 8.472 3.497 1.00 41.35 H new ATOM 0 HE ARG A 444 -1.394 10.411 3.282 1.00 2.44 H new ATOM 0 HH11 ARG A 444 -1.257 7.673 5.547 1.00 75.14 H new ATOM 0 HH12 ARG A 444 -2.149 8.535 6.805 1.00 75.14 H new ATOM 0 HH21 ARG A 444 -2.539 11.480 4.891 1.00 10.12 H new ATOM 0 HH22 ARG A 444 -2.872 10.684 6.433 1.00 10.12 H new ATOM 116 N ASP A 445 -2.221 6.783 -1.976 1.00 4.31 N ATOM 117 CA ASP A 445 -3.558 6.843 -2.554 1.00 40.22 C ATOM 118 C ASP A 445 -4.066 5.468 -2.901 1.00 21.55 C ATOM 119 O ASP A 445 -5.118 5.323 -3.528 1.00 33.05 O ATOM 120 CB ASP A 445 -3.581 7.737 -3.824 1.00 65.21 C ATOM 121 CG ASP A 445 -2.545 7.349 -4.902 1.00 75.23 C ATOM 122 OD1 ASP A 445 -2.166 8.222 -5.724 1.00 31.15 O ATOM 123 OD2 ASP A 445 -2.074 6.193 -4.929 1.00 11.03 O ATOM 0 H ASP A 445 -1.487 6.650 -2.672 1.00 4.31 H new ATOM 0 HA ASP A 445 -4.212 7.281 -1.800 1.00 40.22 H new ATOM 0 HB2 ASP A 445 -4.577 7.695 -4.264 1.00 65.21 H new ATOM 0 HB3 ASP A 445 -3.407 8.771 -3.527 1.00 65.21 H new ATOM 128 N CYS A 446 -3.361 4.462 -2.481 1.00 23.43 N ATOM 129 CA CYS A 446 -3.741 3.149 -2.835 1.00 10.51 C ATOM 130 C CYS A 446 -4.313 2.444 -1.644 1.00 31.12 C ATOM 131 O CYS A 446 -3.975 2.735 -0.493 1.00 24.25 O ATOM 132 CB CYS A 446 -2.567 2.381 -3.400 1.00 32.03 C ATOM 133 SG CYS A 446 -1.721 3.223 -4.758 1.00 65.03 S ATOM 0 H CYS A 446 -2.527 4.534 -1.898 1.00 23.43 H new ATOM 0 HA CYS A 446 -4.506 3.205 -3.610 1.00 10.51 H new ATOM 0 HB2 CYS A 446 -1.851 2.193 -2.600 1.00 32.03 H new ATOM 0 HB3 CYS A 446 -2.916 1.410 -3.750 1.00 32.03 H new ATOM 0 HG CYS A 446 -1.737 4.506 -4.550 1.00 65.03 H new ATOM 139 N ILE A 447 -5.198 1.576 -1.913 1.00 14.11 N ATOM 140 CA ILE A 447 -5.840 0.792 -0.924 1.00 71.05 C ATOM 141 C ILE A 447 -5.580 -0.656 -1.274 1.00 43.21 C ATOM 142 O ILE A 447 -5.577 -1.007 -2.452 1.00 21.40 O ATOM 143 CB ILE A 447 -7.370 0.984 -0.982 1.00 24.55 C ATOM 144 CG1 ILE A 447 -7.738 2.372 -1.492 1.00 44.42 C ATOM 145 CG2 ILE A 447 -7.938 0.798 0.399 1.00 31.55 C ATOM 146 CD1 ILE A 447 -9.231 2.628 -1.519 1.00 53.03 C ATOM 0 H ILE A 447 -5.514 1.377 -2.862 1.00 14.11 H new ATOM 0 HA ILE A 447 -5.468 1.076 0.060 1.00 71.05 H new ATOM 0 HB ILE A 447 -7.784 0.248 -1.671 1.00 24.55 H new ATOM 0 HG12 ILE A 447 -7.260 3.121 -0.861 1.00 44.42 H new ATOM 0 HG13 ILE A 447 -7.337 2.499 -2.498 1.00 44.42 H new ATOM 0 HG21 ILE A 447 -9.019 0.932 0.369 1.00 31.55 H new ATOM 0 HG22 ILE A 447 -7.706 -0.206 0.756 1.00 31.55 H new ATOM 0 HG23 ILE A 447 -7.500 1.533 1.074 1.00 31.55 H new ATOM 0 HD11 ILE A 447 -9.421 3.634 -1.892 1.00 53.03 H new ATOM 0 HD12 ILE A 447 -9.713 1.901 -2.173 1.00 53.03 H new ATOM 0 HD13 ILE A 447 -9.635 2.533 -0.511 1.00 53.03 H new ATOM 158 N ARG A 448 -5.355 -1.472 -0.301 1.00 62.41 N ATOM 159 CA ARG A 448 -5.188 -2.874 -0.530 1.00 63.43 C ATOM 160 C ARG A 448 -6.298 -3.593 0.164 1.00 53.34 C ATOM 161 O ARG A 448 -6.510 -3.405 1.360 1.00 34.15 O ATOM 162 CB ARG A 448 -3.856 -3.386 -0.018 1.00 5.32 C ATOM 163 CG ARG A 448 -3.614 -4.846 -0.365 1.00 74.14 C ATOM 164 CD ARG A 448 -2.292 -5.320 0.161 1.00 1.11 C ATOM 165 NE ARG A 448 -1.954 -6.649 -0.327 1.00 32.23 N ATOM 166 CZ ARG A 448 -0.726 -7.173 -0.305 1.00 41.44 C ATOM 167 NH1 ARG A 448 0.278 -6.525 0.285 1.00 1.44 N ATOM 168 NH2 ARG A 448 -0.504 -8.336 -0.874 1.00 10.34 N ATOM 0 H ARG A 448 -5.281 -1.190 0.677 1.00 62.41 H new ATOM 0 HA ARG A 448 -5.209 -3.054 -1.605 1.00 63.43 H new ATOM 0 HB2 ARG A 448 -3.053 -2.780 -0.437 1.00 5.32 H new ATOM 0 HB3 ARG A 448 -3.816 -3.263 1.064 1.00 5.32 H new ATOM 0 HG2 ARG A 448 -4.414 -5.458 0.051 1.00 74.14 H new ATOM 0 HG3 ARG A 448 -3.644 -4.975 -1.447 1.00 74.14 H new ATOM 0 HD2 ARG A 448 -1.512 -4.617 -0.133 1.00 1.11 H new ATOM 0 HD3 ARG A 448 -2.318 -5.330 1.251 1.00 1.11 H new ATOM 0 HE ARG A 448 -2.707 -7.219 -0.712 1.00 32.23 H new ATOM 0 HH11 ARG A 448 0.112 -5.620 0.725 1.00 1.44 H new ATOM 0 HH12 ARG A 448 1.212 -6.934 0.296 1.00 1.44 H new ATOM 0 HH21 ARG A 448 -1.268 -8.835 -1.330 1.00 10.34 H new ATOM 0 HH22 ARG A 448 0.432 -8.740 -0.860 1.00 10.34 H new ATOM 182 N LEU A 449 -7.004 -4.375 -0.561 1.00 70.42 N ATOM 183 CA LEU A 449 -8.100 -5.106 -0.026 1.00 22.52 C ATOM 184 C LEU A 449 -7.663 -6.540 0.011 1.00 54.00 C ATOM 185 O LEU A 449 -7.269 -7.084 -1.015 1.00 43.15 O ATOM 186 CB LEU A 449 -9.269 -5.040 -0.963 1.00 5.30 C ATOM 187 CG LEU A 449 -9.467 -3.749 -1.775 1.00 4.21 C ATOM 188 CD1 LEU A 449 -10.538 -3.958 -2.814 1.00 55.20 C ATOM 189 CD2 LEU A 449 -9.839 -2.580 -0.879 1.00 50.22 C ATOM 0 H LEU A 449 -6.840 -4.531 -1.555 1.00 70.42 H new ATOM 0 HA LEU A 449 -8.382 -4.708 0.949 1.00 22.52 H new ATOM 0 HB2 LEU A 449 -9.181 -5.868 -1.667 1.00 5.30 H new ATOM 0 HB3 LEU A 449 -10.174 -5.211 -0.381 1.00 5.30 H new ATOM 0 HG LEU A 449 -8.522 -3.511 -2.264 1.00 4.21 H new ATOM 0 HD11 LEU A 449 -10.674 -3.040 -3.386 1.00 55.20 H new ATOM 0 HD12 LEU A 449 -10.241 -4.764 -3.486 1.00 55.20 H new ATOM 0 HD13 LEU A 449 -11.475 -4.222 -2.323 1.00 55.20 H new ATOM 0 HD21 LEU A 449 -9.971 -1.684 -1.486 1.00 50.22 H new ATOM 0 HD22 LEU A 449 -10.768 -2.804 -0.356 1.00 50.22 H new ATOM 0 HD23 LEU A 449 -9.045 -2.412 -0.152 1.00 50.22 H new ATOM 201 N ARG A 450 -7.740 -7.149 1.127 1.00 10.30 N ATOM 202 CA ARG A 450 -7.279 -8.498 1.246 1.00 54.15 C ATOM 203 C ARG A 450 -8.262 -9.321 2.044 1.00 4.54 C ATOM 204 O ARG A 450 -8.821 -8.861 3.045 1.00 25.40 O ATOM 205 CB ARG A 450 -5.879 -8.512 1.847 1.00 14.51 C ATOM 206 CG ARG A 450 -5.160 -9.843 1.780 1.00 14.23 C ATOM 207 CD ARG A 450 -3.720 -9.681 2.232 1.00 31.52 C ATOM 208 NE ARG A 450 -2.934 -10.907 2.058 1.00 20.50 N ATOM 209 CZ ARG A 450 -1.601 -10.986 2.167 1.00 21.14 C ATOM 210 NH1 ARG A 450 -0.883 -9.925 2.538 1.00 44.14 N ATOM 211 NH2 ARG A 450 -0.988 -12.131 1.911 1.00 31.42 N ATOM 0 H ARG A 450 -8.118 -6.744 1.984 1.00 10.30 H new ATOM 0 HA ARG A 450 -7.215 -8.955 0.259 1.00 54.15 H new ATOM 0 HB2 ARG A 450 -5.274 -7.764 1.334 1.00 14.51 H new ATOM 0 HB3 ARG A 450 -5.946 -8.206 2.891 1.00 14.51 H new ATOM 0 HG2 ARG A 450 -5.668 -10.572 2.412 1.00 14.23 H new ATOM 0 HG3 ARG A 450 -5.188 -10.230 0.761 1.00 14.23 H new ATOM 0 HD2 ARG A 450 -3.255 -8.872 1.668 1.00 31.52 H new ATOM 0 HD3 ARG A 450 -3.703 -9.389 3.282 1.00 31.52 H new ATOM 0 HE ARG A 450 -3.441 -11.764 1.837 1.00 20.50 H new ATOM 0 HH11 ARG A 450 -1.348 -9.041 2.742 1.00 44.14 H new ATOM 0 HH12 ARG A 450 0.131 -9.998 2.617 1.00 44.14 H new ATOM 0 HH21 ARG A 450 -1.530 -12.949 1.632 1.00 31.42 H new ATOM 0 HH22 ARG A 450 0.027 -12.196 1.993 1.00 31.42 H new ATOM 225 N GLY A 451 -8.503 -10.507 1.573 1.00 54.32 N ATOM 226 CA GLY A 451 -9.459 -11.380 2.194 1.00 41.12 C ATOM 227 C GLY A 451 -10.799 -11.254 1.516 1.00 61.54 C ATOM 228 O GLY A 451 -11.836 -11.575 2.101 1.00 3.44 O ATOM 0 H GLY A 451 -8.045 -10.898 0.750 1.00 54.32 H new ATOM 0 HA2 GLY A 451 -9.111 -12.411 2.137 1.00 41.12 H new ATOM 0 HA3 GLY A 451 -9.554 -11.133 3.251 1.00 41.12 H new ATOM 232 N LEU A 452 -10.756 -10.797 0.268 1.00 42.10 N ATOM 233 CA LEU A 452 -11.943 -10.559 -0.556 1.00 34.24 C ATOM 234 C LEU A 452 -12.755 -11.831 -0.765 1.00 14.15 C ATOM 235 O LEU A 452 -12.188 -12.926 -0.843 1.00 44.01 O ATOM 236 CB LEU A 452 -11.538 -9.987 -1.919 1.00 30.41 C ATOM 237 CG LEU A 452 -10.845 -8.632 -1.907 1.00 11.22 C ATOM 238 CD1 LEU A 452 -10.448 -8.233 -3.315 1.00 72.41 C ATOM 239 CD2 LEU A 452 -11.757 -7.588 -1.299 1.00 33.43 C ATOM 0 H LEU A 452 -9.882 -10.577 -0.210 1.00 42.10 H new ATOM 0 HA LEU A 452 -12.566 -9.841 -0.023 1.00 34.24 H new ATOM 0 HB2 LEU A 452 -10.878 -10.704 -2.407 1.00 30.41 H new ATOM 0 HB3 LEU A 452 -12.433 -9.907 -2.535 1.00 30.41 H new ATOM 0 HG LEU A 452 -9.942 -8.703 -1.300 1.00 11.22 H new ATOM 0 HD11 LEU A 452 -9.953 -7.262 -3.292 1.00 72.41 H new ATOM 0 HD12 LEU A 452 -9.766 -8.978 -3.726 1.00 72.41 H new ATOM 0 HD13 LEU A 452 -11.338 -8.172 -3.941 1.00 72.41 H new ATOM 0 HD21 LEU A 452 -11.252 -6.622 -1.295 1.00 33.43 H new ATOM 0 HD22 LEU A 452 -12.672 -7.517 -1.887 1.00 33.43 H new ATOM 0 HD23 LEU A 452 -12.005 -7.872 -0.276 1.00 33.43 H new ATOM 251 N PRO A 453 -14.102 -11.702 -0.835 1.00 21.11 N ATOM 252 CA PRO A 453 -14.987 -12.825 -1.049 1.00 61.45 C ATOM 253 C PRO A 453 -14.737 -13.555 -2.342 1.00 4.31 C ATOM 254 O PRO A 453 -14.214 -13.008 -3.329 1.00 15.13 O ATOM 255 CB PRO A 453 -16.380 -12.231 -1.117 1.00 4.21 C ATOM 256 CG PRO A 453 -16.281 -10.869 -0.552 1.00 12.45 C ATOM 257 CD PRO A 453 -14.847 -10.444 -0.667 1.00 4.55 C ATOM 0 HA PRO A 453 -14.838 -13.550 -0.248 1.00 61.45 H new ATOM 0 HB2 PRO A 453 -16.739 -12.200 -2.146 1.00 4.21 H new ATOM 0 HB3 PRO A 453 -17.088 -12.836 -0.551 1.00 4.21 H new ATOM 0 HG2 PRO A 453 -16.931 -10.180 -1.092 1.00 12.45 H new ATOM 0 HG3 PRO A 453 -16.603 -10.860 0.489 1.00 12.45 H new ATOM 0 HD2 PRO A 453 -14.697 -9.778 -1.517 1.00 4.55 H new ATOM 0 HD3 PRO A 453 -14.520 -9.905 0.222 1.00 4.55 H new ATOM 265 N TYR A 454 -15.193 -14.747 -2.338 1.00 12.11 N ATOM 266 CA TYR A 454 -15.094 -15.639 -3.407 1.00 72.04 C ATOM 267 C TYR A 454 -16.112 -15.285 -4.459 1.00 3.35 C ATOM 268 O TYR A 454 -17.315 -15.564 -4.324 1.00 12.25 O ATOM 269 CB TYR A 454 -15.271 -17.068 -2.917 1.00 64.14 C ATOM 270 CG TYR A 454 -15.126 -18.118 -3.990 1.00 21.21 C ATOM 271 CD1 TYR A 454 -16.241 -18.713 -4.566 1.00 75.34 C ATOM 272 CD2 TYR A 454 -13.876 -18.514 -4.426 1.00 10.22 C ATOM 273 CE1 TYR A 454 -16.110 -19.673 -5.538 1.00 22.21 C ATOM 274 CE2 TYR A 454 -13.739 -19.471 -5.402 1.00 1.25 C ATOM 275 CZ TYR A 454 -14.861 -20.049 -5.952 1.00 30.20 C ATOM 276 OH TYR A 454 -14.722 -21.017 -6.927 1.00 15.51 O ATOM 0 H TYR A 454 -15.675 -15.144 -1.532 1.00 12.11 H new ATOM 0 HA TYR A 454 -14.103 -15.564 -3.854 1.00 72.04 H new ATOM 0 HB2 TYR A 454 -14.539 -17.264 -2.133 1.00 64.14 H new ATOM 0 HB3 TYR A 454 -16.257 -17.164 -2.463 1.00 64.14 H new ATOM 0 HD1 TYR A 454 -17.228 -18.415 -4.244 1.00 75.34 H new ATOM 0 HD2 TYR A 454 -12.994 -18.065 -3.993 1.00 10.22 H new ATOM 0 HE1 TYR A 454 -16.987 -20.129 -5.973 1.00 22.21 H new ATOM 0 HE2 TYR A 454 -12.756 -19.768 -5.736 1.00 1.25 H new ATOM 0 HH TYR A 454 -15.495 -20.989 -7.529 1.00 15.51 H new ATOM 286 N ALA A 455 -15.621 -14.537 -5.383 1.00 24.25 N ATOM 287 CA ALA A 455 -16.286 -14.161 -6.641 1.00 15.51 C ATOM 288 C ALA A 455 -17.136 -12.919 -6.509 1.00 54.11 C ATOM 289 O ALA A 455 -18.089 -12.709 -7.271 1.00 71.33 O ATOM 290 CB ALA A 455 -17.033 -15.334 -7.298 1.00 62.35 C ATOM 0 H ALA A 455 -14.688 -14.132 -5.303 1.00 24.25 H new ATOM 0 HA ALA A 455 -15.485 -13.898 -7.332 1.00 15.51 H new ATOM 0 HB1 ALA A 455 -17.503 -14.995 -8.221 1.00 62.35 H new ATOM 0 HB2 ALA A 455 -16.328 -16.134 -7.522 1.00 62.35 H new ATOM 0 HB3 ALA A 455 -17.799 -15.705 -6.617 1.00 62.35 H new ATOM 296 N ALA A 456 -16.766 -12.074 -5.569 1.00 51.21 N ATOM 297 CA ALA A 456 -17.401 -10.780 -5.423 1.00 60.02 C ATOM 298 C ALA A 456 -17.057 -9.915 -6.625 1.00 32.15 C ATOM 299 O ALA A 456 -15.904 -9.899 -7.084 1.00 40.32 O ATOM 300 CB ALA A 456 -16.952 -10.095 -4.146 1.00 22.50 C ATOM 0 H ALA A 456 -16.026 -12.261 -4.892 1.00 51.21 H new ATOM 0 HA ALA A 456 -18.480 -10.923 -5.367 1.00 60.02 H new ATOM 0 HB1 ALA A 456 -17.443 -9.126 -4.061 1.00 22.50 H new ATOM 0 HB2 ALA A 456 -17.218 -10.713 -3.289 1.00 22.50 H new ATOM 0 HB3 ALA A 456 -15.872 -9.953 -4.170 1.00 22.50 H new ATOM 306 N THR A 457 -18.044 -9.241 -7.134 1.00 74.01 N ATOM 307 CA THR A 457 -17.907 -8.389 -8.258 1.00 61.45 C ATOM 308 C THR A 457 -17.452 -7.012 -7.801 1.00 10.05 C ATOM 309 O THR A 457 -17.744 -6.605 -6.657 1.00 4.34 O ATOM 310 CB THR A 457 -19.268 -8.302 -8.963 1.00 70.44 C ATOM 311 OG1 THR A 457 -20.302 -8.178 -7.959 1.00 52.45 O ATOM 312 CG2 THR A 457 -19.521 -9.542 -9.803 1.00 74.45 C ATOM 0 H THR A 457 -18.993 -9.276 -6.761 1.00 74.01 H new ATOM 0 HA THR A 457 -17.162 -8.782 -8.949 1.00 61.45 H new ATOM 0 HB THR A 457 -19.274 -7.435 -9.624 1.00 70.44 H new ATOM 0 HG1 THR A 457 -21.177 -8.120 -8.396 1.00 52.45 H new ATOM 0 HG21 THR A 457 -20.491 -9.458 -10.293 1.00 74.45 H new ATOM 0 HG22 THR A 457 -18.740 -9.636 -10.558 1.00 74.45 H new ATOM 0 HG23 THR A 457 -19.514 -10.423 -9.162 1.00 74.45 H new ATOM 320 N ILE A 458 -16.742 -6.282 -8.656 1.00 11.35 N ATOM 321 CA ILE A 458 -16.287 -4.959 -8.276 1.00 73.34 C ATOM 322 C ILE A 458 -17.435 -4.006 -7.992 1.00 33.44 C ATOM 323 O ILE A 458 -17.329 -3.152 -7.135 1.00 70.34 O ATOM 324 CB ILE A 458 -15.195 -4.324 -9.214 1.00 72.22 C ATOM 325 CG1 ILE A 458 -15.548 -4.355 -10.723 1.00 1.14 C ATOM 326 CG2 ILE A 458 -13.838 -4.941 -8.966 1.00 22.24 C ATOM 327 CD1 ILE A 458 -16.590 -3.346 -11.166 1.00 11.03 C ATOM 0 H ILE A 458 -16.476 -6.580 -9.595 1.00 11.35 H new ATOM 0 HA ILE A 458 -15.761 -5.125 -7.336 1.00 73.34 H new ATOM 0 HB ILE A 458 -15.165 -3.269 -8.943 1.00 72.22 H new ATOM 0 HG12 ILE A 458 -14.636 -4.186 -11.296 1.00 1.14 H new ATOM 0 HG13 ILE A 458 -15.903 -5.354 -10.976 1.00 1.14 H new ATOM 0 HG21 ILE A 458 -13.103 -4.483 -9.628 1.00 22.24 H new ATOM 0 HG22 ILE A 458 -13.546 -4.774 -7.929 1.00 22.24 H new ATOM 0 HG23 ILE A 458 -13.884 -6.012 -9.161 1.00 22.24 H new ATOM 0 HD11 ILE A 458 -16.765 -3.450 -12.237 1.00 11.03 H new ATOM 0 HD12 ILE A 458 -17.521 -3.524 -10.627 1.00 11.03 H new ATOM 0 HD13 ILE A 458 -16.234 -2.338 -10.953 1.00 11.03 H new ATOM 339 N GLU A 459 -18.559 -4.213 -8.650 1.00 34.51 N ATOM 340 CA GLU A 459 -19.711 -3.358 -8.439 1.00 2.54 C ATOM 341 C GLU A 459 -20.300 -3.561 -7.054 1.00 41.41 C ATOM 342 O GLU A 459 -20.853 -2.633 -6.459 1.00 54.22 O ATOM 343 CB GLU A 459 -20.767 -3.573 -9.503 1.00 50.23 C ATOM 344 CG GLU A 459 -20.268 -3.308 -10.898 1.00 55.20 C ATOM 345 CD GLU A 459 -21.360 -3.326 -11.911 1.00 70.42 C ATOM 346 OE1 GLU A 459 -21.785 -2.229 -12.336 1.00 53.22 O ATOM 347 OE2 GLU A 459 -21.834 -4.426 -12.285 1.00 60.34 O ATOM 0 H GLU A 459 -18.699 -4.960 -9.330 1.00 34.51 H new ATOM 0 HA GLU A 459 -19.365 -2.327 -8.515 1.00 2.54 H new ATOM 0 HB2 GLU A 459 -21.130 -4.599 -9.443 1.00 50.23 H new ATOM 0 HB3 GLU A 459 -21.617 -2.922 -9.299 1.00 50.23 H new ATOM 0 HG2 GLU A 459 -19.770 -2.339 -10.924 1.00 55.20 H new ATOM 0 HG3 GLU A 459 -19.521 -4.057 -11.161 1.00 55.20 H new ATOM 354 N ASP A 460 -20.152 -4.759 -6.525 1.00 33.12 N ATOM 355 CA ASP A 460 -20.667 -5.066 -5.212 1.00 22.32 C ATOM 356 C ASP A 460 -19.766 -4.439 -4.173 1.00 43.22 C ATOM 357 O ASP A 460 -20.236 -3.843 -3.200 1.00 40.32 O ATOM 358 CB ASP A 460 -20.765 -6.579 -4.981 1.00 60.43 C ATOM 359 CG ASP A 460 -21.681 -6.924 -3.827 1.00 11.43 C ATOM 360 OD1 ASP A 460 -21.244 -6.940 -2.675 1.00 44.12 O ATOM 361 OD2 ASP A 460 -22.873 -7.177 -4.065 1.00 0.31 O ATOM 0 H ASP A 460 -19.678 -5.535 -6.987 1.00 33.12 H new ATOM 0 HA ASP A 460 -21.675 -4.659 -5.131 1.00 22.32 H new ATOM 0 HB2 ASP A 460 -21.130 -7.060 -5.888 1.00 60.43 H new ATOM 0 HB3 ASP A 460 -19.770 -6.980 -4.785 1.00 60.43 H new ATOM 366 N ILE A 461 -18.468 -4.500 -4.414 1.00 11.34 N ATOM 367 CA ILE A 461 -17.532 -3.948 -3.472 1.00 52.23 C ATOM 368 C ILE A 461 -17.516 -2.411 -3.544 1.00 41.20 C ATOM 369 O ILE A 461 -17.255 -1.755 -2.558 1.00 13.12 O ATOM 370 CB ILE A 461 -16.099 -4.548 -3.597 1.00 22.52 C ATOM 371 CG1 ILE A 461 -15.319 -4.281 -2.305 1.00 14.44 C ATOM 372 CG2 ILE A 461 -15.349 -3.964 -4.797 1.00 21.12 C ATOM 373 CD1 ILE A 461 -13.958 -4.916 -2.267 1.00 24.44 C ATOM 0 H ILE A 461 -18.050 -4.921 -5.244 1.00 11.34 H new ATOM 0 HA ILE A 461 -17.885 -4.239 -2.483 1.00 52.23 H new ATOM 0 HB ILE A 461 -16.190 -5.622 -3.756 1.00 22.52 H new ATOM 0 HG12 ILE A 461 -15.209 -3.204 -2.176 1.00 14.44 H new ATOM 0 HG13 ILE A 461 -15.902 -4.646 -1.459 1.00 14.44 H new ATOM 0 HG21 ILE A 461 -14.354 -4.405 -4.854 1.00 21.12 H new ATOM 0 HG22 ILE A 461 -15.897 -4.187 -5.712 1.00 21.12 H new ATOM 0 HG23 ILE A 461 -15.261 -2.884 -4.681 1.00 21.12 H new ATOM 0 HD11 ILE A 461 -13.472 -4.679 -1.320 1.00 24.44 H new ATOM 0 HD12 ILE A 461 -14.058 -5.997 -2.363 1.00 24.44 H new ATOM 0 HD13 ILE A 461 -13.355 -4.533 -3.090 1.00 24.44 H new ATOM 385 N LEU A 462 -17.819 -1.849 -4.716 1.00 54.02 N ATOM 386 CA LEU A 462 -17.935 -0.391 -4.851 1.00 50.33 C ATOM 387 C LEU A 462 -19.081 0.111 -3.996 1.00 52.14 C ATOM 388 O LEU A 462 -19.009 1.182 -3.412 1.00 1.13 O ATOM 389 CB LEU A 462 -18.126 0.057 -6.313 1.00 0.15 C ATOM 390 CG LEU A 462 -16.972 -0.213 -7.290 1.00 4.35 C ATOM 391 CD1 LEU A 462 -17.329 0.282 -8.681 1.00 75.20 C ATOM 392 CD2 LEU A 462 -15.676 0.430 -6.808 1.00 53.00 C ATOM 0 H LEU A 462 -17.987 -2.371 -5.576 1.00 54.02 H new ATOM 0 HA LEU A 462 -16.996 0.043 -4.508 1.00 50.33 H new ATOM 0 HB2 LEU A 462 -19.019 -0.433 -6.702 1.00 0.15 H new ATOM 0 HB3 LEU A 462 -18.325 1.129 -6.314 1.00 0.15 H new ATOM 0 HG LEU A 462 -16.813 -1.290 -7.333 1.00 4.35 H new ATOM 0 HD11 LEU A 462 -16.501 0.083 -9.362 1.00 75.20 H new ATOM 0 HD12 LEU A 462 -18.221 -0.236 -9.034 1.00 75.20 H new ATOM 0 HD13 LEU A 462 -17.522 1.354 -8.647 1.00 75.20 H new ATOM 0 HD21 LEU A 462 -14.879 0.221 -7.521 1.00 53.00 H new ATOM 0 HD22 LEU A 462 -15.814 1.508 -6.724 1.00 53.00 H new ATOM 0 HD23 LEU A 462 -15.408 0.022 -5.834 1.00 53.00 H new ATOM 404 N ASP A 463 -20.125 -0.695 -3.902 1.00 72.33 N ATOM 405 CA ASP A 463 -21.265 -0.384 -3.049 1.00 3.53 C ATOM 406 C ASP A 463 -20.808 -0.418 -1.618 1.00 53.33 C ATOM 407 O ASP A 463 -21.028 0.516 -0.852 1.00 33.32 O ATOM 408 CB ASP A 463 -22.359 -1.417 -3.242 1.00 41.21 C ATOM 409 CG ASP A 463 -23.618 -1.114 -2.446 1.00 41.52 C ATOM 410 OD1 ASP A 463 -24.322 -0.125 -2.758 1.00 44.12 O ATOM 411 OD2 ASP A 463 -23.953 -1.888 -1.537 1.00 41.12 O ATOM 0 H ASP A 463 -20.209 -1.576 -4.409 1.00 72.33 H new ATOM 0 HA ASP A 463 -21.657 0.600 -3.306 1.00 3.53 H new ATOM 0 HB2 ASP A 463 -22.612 -1.475 -4.301 1.00 41.21 H new ATOM 0 HB3 ASP A 463 -21.980 -2.397 -2.951 1.00 41.21 H new ATOM 416 N PHE A 464 -20.112 -1.495 -1.302 1.00 50.53 N ATOM 417 CA PHE A 464 -19.516 -1.732 0.025 1.00 21.40 C ATOM 418 C PHE A 464 -18.606 -0.560 0.445 1.00 12.24 C ATOM 419 O PHE A 464 -18.611 -0.126 1.605 1.00 1.55 O ATOM 420 CB PHE A 464 -18.741 -3.062 0.002 1.00 53.15 C ATOM 421 CG PHE A 464 -17.962 -3.382 1.248 1.00 24.42 C ATOM 422 CD1 PHE A 464 -18.607 -3.774 2.408 1.00 12.43 C ATOM 423 CD2 PHE A 464 -16.576 -3.310 1.244 1.00 72.34 C ATOM 424 CE1 PHE A 464 -17.887 -4.083 3.543 1.00 45.40 C ATOM 425 CE2 PHE A 464 -15.851 -3.618 2.377 1.00 51.13 C ATOM 426 CZ PHE A 464 -16.507 -4.005 3.529 1.00 50.02 C ATOM 0 H PHE A 464 -19.935 -2.251 -1.964 1.00 50.53 H new ATOM 0 HA PHE A 464 -20.312 -1.798 0.767 1.00 21.40 H new ATOM 0 HB2 PHE A 464 -19.448 -3.871 -0.180 1.00 53.15 H new ATOM 0 HB3 PHE A 464 -18.051 -3.045 -0.842 1.00 53.15 H new ATOM 0 HD1 PHE A 464 -19.685 -3.839 2.425 1.00 12.43 H new ATOM 0 HD2 PHE A 464 -16.059 -3.010 0.344 1.00 72.34 H new ATOM 0 HE1 PHE A 464 -18.402 -4.386 4.443 1.00 45.40 H new ATOM 0 HE2 PHE A 464 -14.773 -3.557 2.363 1.00 51.13 H new ATOM 0 HZ PHE A 464 -15.943 -4.246 4.418 1.00 50.02 H new ATOM 436 N LEU A 465 -17.844 -0.060 -0.494 1.00 33.31 N ATOM 437 CA LEU A 465 -16.996 1.088 -0.275 1.00 12.34 C ATOM 438 C LEU A 465 -17.840 2.344 -0.103 1.00 13.10 C ATOM 439 O LEU A 465 -17.557 3.192 0.749 1.00 63.43 O ATOM 440 CB LEU A 465 -16.025 1.258 -1.442 1.00 61.42 C ATOM 441 CG LEU A 465 -14.964 0.159 -1.612 1.00 75.52 C ATOM 442 CD1 LEU A 465 -14.175 0.379 -2.888 1.00 73.21 C ATOM 443 CD2 LEU A 465 -14.020 0.130 -0.419 1.00 14.53 C ATOM 0 H LEU A 465 -17.793 -0.439 -1.439 1.00 33.31 H new ATOM 0 HA LEU A 465 -16.421 0.928 0.637 1.00 12.34 H new ATOM 0 HB2 LEU A 465 -16.605 1.319 -2.363 1.00 61.42 H new ATOM 0 HB3 LEU A 465 -15.513 2.213 -1.324 1.00 61.42 H new ATOM 0 HG LEU A 465 -15.478 -0.800 -1.673 1.00 75.52 H new ATOM 0 HD11 LEU A 465 -13.428 -0.407 -2.994 1.00 73.21 H new ATOM 0 HD12 LEU A 465 -14.851 0.355 -3.743 1.00 73.21 H new ATOM 0 HD13 LEU A 465 -13.678 1.348 -2.846 1.00 73.21 H new ATOM 0 HD21 LEU A 465 -13.278 -0.655 -0.561 1.00 14.53 H new ATOM 0 HD22 LEU A 465 -13.517 1.093 -0.330 1.00 14.53 H new ATOM 0 HD23 LEU A 465 -14.588 -0.068 0.490 1.00 14.53 H new ATOM 455 N GLY A 466 -18.905 2.427 -0.851 1.00 51.23 N ATOM 456 CA GLY A 466 -19.760 3.556 -0.773 1.00 43.24 C ATOM 457 C GLY A 466 -19.338 4.669 -1.672 1.00 63.24 C ATOM 458 O GLY A 466 -18.763 4.455 -2.742 1.00 20.10 O ATOM 0 H GLY A 466 -19.194 1.716 -1.523 1.00 51.23 H new ATOM 0 HA2 GLY A 466 -20.776 3.254 -1.029 1.00 43.24 H new ATOM 0 HA3 GLY A 466 -19.784 3.916 0.255 1.00 43.24 H new ATOM 462 N GLU A 467 -19.592 5.846 -1.190 1.00 13.32 N ATOM 463 CA GLU A 467 -19.338 7.136 -1.856 1.00 44.22 C ATOM 464 C GLU A 467 -17.912 7.260 -2.416 1.00 3.45 C ATOM 465 O GLU A 467 -17.695 7.901 -3.444 1.00 52.51 O ATOM 466 CB GLU A 467 -19.582 8.241 -0.845 1.00 11.42 C ATOM 467 CG GLU A 467 -20.994 8.258 -0.296 1.00 3.42 C ATOM 468 CD GLU A 467 -21.119 9.116 0.920 1.00 73.04 C ATOM 469 OE1 GLU A 467 -21.593 10.260 0.812 1.00 61.33 O ATOM 470 OE2 GLU A 467 -20.737 8.662 2.016 1.00 21.34 O ATOM 0 H GLU A 467 -20.008 5.965 -0.266 1.00 13.32 H new ATOM 0 HA GLU A 467 -20.011 7.211 -2.710 1.00 44.22 H new ATOM 0 HB2 GLU A 467 -18.881 8.127 -0.018 1.00 11.42 H new ATOM 0 HB3 GLU A 467 -19.371 9.203 -1.312 1.00 11.42 H new ATOM 0 HG2 GLU A 467 -21.676 8.620 -1.065 1.00 3.42 H new ATOM 0 HG3 GLU A 467 -21.299 7.240 -0.053 1.00 3.42 H new ATOM 477 N PHE A 468 -16.962 6.602 -1.763 1.00 72.51 N ATOM 478 CA PHE A 468 -15.543 6.661 -2.128 1.00 41.40 C ATOM 479 C PHE A 468 -15.281 6.125 -3.541 1.00 2.12 C ATOM 480 O PHE A 468 -14.270 6.457 -4.159 1.00 61.54 O ATOM 481 CB PHE A 468 -14.694 5.886 -1.111 1.00 14.23 C ATOM 482 CG PHE A 468 -14.823 6.384 0.302 1.00 45.00 C ATOM 483 CD1 PHE A 468 -15.550 5.668 1.240 1.00 51.52 C ATOM 484 CD2 PHE A 468 -14.226 7.570 0.688 1.00 33.14 C ATOM 485 CE1 PHE A 468 -15.675 6.126 2.538 1.00 34.30 C ATOM 486 CE2 PHE A 468 -14.348 8.032 1.983 1.00 40.12 C ATOM 487 CZ PHE A 468 -15.073 7.310 2.910 1.00 54.53 C ATOM 0 H PHE A 468 -17.152 6.006 -0.957 1.00 72.51 H new ATOM 0 HA PHE A 468 -15.257 7.713 -2.117 1.00 41.40 H new ATOM 0 HB2 PHE A 468 -14.979 4.834 -1.142 1.00 14.23 H new ATOM 0 HB3 PHE A 468 -13.647 5.941 -1.410 1.00 14.23 H new ATOM 0 HD1 PHE A 468 -16.024 4.741 0.953 1.00 51.52 H new ATOM 0 HD2 PHE A 468 -13.658 8.141 -0.032 1.00 33.14 H new ATOM 0 HE1 PHE A 468 -16.243 5.558 3.260 1.00 34.30 H new ATOM 0 HE2 PHE A 468 -13.876 8.959 2.271 1.00 40.12 H new ATOM 0 HZ PHE A 468 -15.168 7.671 3.923 1.00 54.53 H new ATOM 497 N ALA A 469 -16.217 5.344 -4.061 1.00 72.42 N ATOM 498 CA ALA A 469 -16.095 4.725 -5.377 1.00 11.30 C ATOM 499 C ALA A 469 -15.990 5.750 -6.523 1.00 32.01 C ATOM 500 O ALA A 469 -15.606 5.401 -7.628 1.00 3.22 O ATOM 501 CB ALA A 469 -17.248 3.766 -5.619 1.00 15.13 C ATOM 0 H ALA A 469 -17.088 5.119 -3.580 1.00 72.42 H new ATOM 0 HA ALA A 469 -15.157 4.170 -5.376 1.00 11.30 H new ATOM 0 HB1 ALA A 469 -17.143 3.312 -6.604 1.00 15.13 H new ATOM 0 HB2 ALA A 469 -17.239 2.986 -4.858 1.00 15.13 H new ATOM 0 HB3 ALA A 469 -18.191 4.311 -5.569 1.00 15.13 H new ATOM 507 N THR A 470 -16.323 7.001 -6.268 1.00 44.34 N ATOM 508 CA THR A 470 -16.249 8.003 -7.298 1.00 44.31 C ATOM 509 C THR A 470 -14.831 8.626 -7.386 1.00 53.00 C ATOM 510 O THR A 470 -14.481 9.257 -8.389 1.00 21.13 O ATOM 511 CB THR A 470 -17.322 9.126 -7.102 1.00 15.24 C ATOM 512 OG1 THR A 470 -17.397 9.968 -8.269 1.00 43.33 O ATOM 513 CG2 THR A 470 -16.995 9.994 -5.894 1.00 11.24 C ATOM 0 H THR A 470 -16.644 7.340 -5.361 1.00 44.34 H new ATOM 0 HA THR A 470 -16.462 7.496 -8.239 1.00 44.31 H new ATOM 0 HB THR A 470 -18.280 8.632 -6.942 1.00 15.24 H new ATOM 0 HG1 THR A 470 -16.507 10.050 -8.671 1.00 43.33 H new ATOM 0 HG21 THR A 470 -17.757 10.765 -5.783 1.00 11.24 H new ATOM 0 HG22 THR A 470 -16.971 9.375 -4.997 1.00 11.24 H new ATOM 0 HG23 THR A 470 -16.022 10.464 -6.036 1.00 11.24 H new ATOM 521 N ASP A 471 -14.010 8.412 -6.368 1.00 32.22 N ATOM 522 CA ASP A 471 -12.703 9.051 -6.305 1.00 35.04 C ATOM 523 C ASP A 471 -11.602 8.059 -6.696 1.00 44.35 C ATOM 524 O ASP A 471 -10.412 8.293 -6.502 1.00 4.42 O ATOM 525 CB ASP A 471 -12.489 9.658 -4.901 1.00 32.11 C ATOM 526 CG ASP A 471 -11.254 10.548 -4.769 1.00 51.30 C ATOM 527 OD1 ASP A 471 -11.141 11.546 -5.518 1.00 13.12 O ATOM 528 OD2 ASP A 471 -10.444 10.339 -3.851 1.00 40.31 O ATOM 0 H ASP A 471 -14.224 7.804 -5.578 1.00 32.22 H new ATOM 0 HA ASP A 471 -12.655 9.868 -7.025 1.00 35.04 H new ATOM 0 HB2 ASP A 471 -13.370 10.242 -4.635 1.00 32.11 H new ATOM 0 HB3 ASP A 471 -12.414 8.846 -4.177 1.00 32.11 H new ATOM 533 N ILE A 472 -12.023 6.952 -7.267 1.00 3.24 N ATOM 534 CA ILE A 472 -11.132 5.928 -7.746 1.00 34.33 C ATOM 535 C ILE A 472 -10.445 6.417 -9.040 1.00 2.14 C ATOM 536 O ILE A 472 -10.987 7.284 -9.756 1.00 14.45 O ATOM 537 CB ILE A 472 -11.930 4.604 -8.038 1.00 22.14 C ATOM 538 CG1 ILE A 472 -10.980 3.452 -8.389 1.00 63.42 C ATOM 539 CG2 ILE A 472 -12.950 4.814 -9.165 1.00 72.33 C ATOM 540 CD1 ILE A 472 -11.671 2.131 -8.697 1.00 13.02 C ATOM 0 H ILE A 472 -13.010 6.738 -7.412 1.00 3.24 H new ATOM 0 HA ILE A 472 -10.380 5.722 -6.984 1.00 34.33 H new ATOM 0 HB ILE A 472 -12.470 4.338 -7.129 1.00 22.14 H new ATOM 0 HG12 ILE A 472 -10.381 3.743 -9.252 1.00 63.42 H new ATOM 0 HG13 ILE A 472 -10.291 3.301 -7.558 1.00 63.42 H new ATOM 0 HG21 ILE A 472 -13.488 3.884 -9.347 1.00 72.33 H new ATOM 0 HG22 ILE A 472 -13.657 5.591 -8.876 1.00 72.33 H new ATOM 0 HG23 ILE A 472 -12.430 5.116 -10.074 1.00 72.33 H new ATOM 0 HD11 ILE A 472 -10.922 1.375 -8.934 1.00 13.02 H new ATOM 0 HD12 ILE A 472 -12.248 1.811 -7.829 1.00 13.02 H new ATOM 0 HD13 ILE A 472 -12.339 2.260 -9.549 1.00 13.02 H new ATOM 552 N ARG A 473 -9.260 5.926 -9.320 1.00 60.45 N ATOM 553 CA ARG A 473 -8.642 6.229 -10.575 1.00 1.51 C ATOM 554 C ARG A 473 -9.160 5.273 -11.626 1.00 63.35 C ATOM 555 O ARG A 473 -9.446 4.105 -11.316 1.00 2.41 O ATOM 556 CB ARG A 473 -7.120 6.154 -10.523 1.00 12.20 C ATOM 557 CG ARG A 473 -6.456 7.199 -9.647 1.00 62.25 C ATOM 558 CD ARG A 473 -4.973 7.269 -9.947 1.00 54.44 C ATOM 559 NE ARG A 473 -4.748 7.663 -11.345 1.00 1.33 N ATOM 560 CZ ARG A 473 -3.727 7.265 -12.123 1.00 52.52 C ATOM 561 NH1 ARG A 473 -2.800 6.408 -11.668 1.00 64.22 N ATOM 562 NH2 ARG A 473 -3.656 7.702 -13.366 1.00 43.54 N ATOM 0 H ARG A 473 -8.717 5.324 -8.701 1.00 60.45 H new ATOM 0 HA ARG A 473 -8.900 7.258 -10.824 1.00 1.51 H new ATOM 0 HB2 ARG A 473 -6.832 5.166 -10.165 1.00 12.20 H new ATOM 0 HB3 ARG A 473 -6.732 6.252 -11.537 1.00 12.20 H new ATOM 0 HG2 ARG A 473 -6.915 8.173 -9.818 1.00 62.25 H new ATOM 0 HG3 ARG A 473 -6.611 6.954 -8.596 1.00 62.25 H new ATOM 0 HD2 ARG A 473 -4.495 7.986 -9.280 1.00 54.44 H new ATOM 0 HD3 ARG A 473 -4.512 6.300 -9.757 1.00 54.44 H new ATOM 0 HE ARG A 473 -5.429 8.297 -11.763 1.00 1.33 H new ATOM 0 HH11 ARG A 473 -2.863 6.047 -10.716 1.00 64.22 H new ATOM 0 HH12 ARG A 473 -2.033 6.118 -12.274 1.00 64.22 H new ATOM 0 HH21 ARG A 473 -4.371 8.334 -13.726 1.00 43.54 H new ATOM 0 HH22 ARG A 473 -2.886 7.408 -13.967 1.00 43.54 H new ATOM 576 N THR A 474 -9.314 5.761 -12.834 1.00 61.01 N ATOM 577 CA THR A 474 -9.728 4.945 -13.951 1.00 1.34 C ATOM 578 C THR A 474 -8.702 3.830 -14.153 1.00 62.43 C ATOM 579 O THR A 474 -7.507 4.116 -14.340 1.00 41.22 O ATOM 580 CB THR A 474 -9.802 5.813 -15.214 1.00 70.10 C ATOM 581 OG1 THR A 474 -10.565 6.993 -14.913 1.00 72.24 O ATOM 582 CG2 THR A 474 -10.475 5.060 -16.357 1.00 44.43 C ATOM 0 H THR A 474 -9.155 6.740 -13.071 1.00 61.01 H new ATOM 0 HA THR A 474 -10.709 4.512 -13.755 1.00 1.34 H new ATOM 0 HB THR A 474 -8.790 6.074 -15.524 1.00 70.10 H new ATOM 0 HG1 THR A 474 -10.620 7.559 -15.711 1.00 72.24 H new ATOM 0 HG21 THR A 474 -10.514 5.698 -17.240 1.00 44.43 H new ATOM 0 HG22 THR A 474 -9.905 4.160 -16.585 1.00 44.43 H new ATOM 0 HG23 THR A 474 -11.488 4.783 -16.064 1.00 44.43 H new ATOM 590 N HIS A 475 -9.164 2.571 -14.033 1.00 41.13 N ATOM 591 CA HIS A 475 -8.319 1.374 -14.157 1.00 52.33 C ATOM 592 C HIS A 475 -7.345 1.311 -12.958 1.00 10.42 C ATOM 593 O HIS A 475 -6.331 0.634 -12.977 1.00 41.32 O ATOM 594 CB HIS A 475 -7.582 1.366 -15.530 1.00 50.30 C ATOM 595 CG HIS A 475 -6.835 0.100 -15.856 1.00 31.11 C ATOM 596 ND1 HIS A 475 -5.463 0.016 -15.945 1.00 15.24 N ATOM 597 CD2 HIS A 475 -7.300 -1.131 -16.163 1.00 41.32 C ATOM 598 CE1 HIS A 475 -5.146 -1.228 -16.299 1.00 64.24 C ATOM 599 NE2 HIS A 475 -6.228 -1.972 -16.448 1.00 20.20 N ATOM 0 H HIS A 475 -10.144 2.357 -13.846 1.00 41.13 H new ATOM 0 HA HIS A 475 -8.936 0.476 -14.132 1.00 52.33 H new ATOM 0 HB2 HIS A 475 -8.314 1.548 -16.317 1.00 50.30 H new ATOM 0 HB3 HIS A 475 -6.878 2.198 -15.550 1.00 50.30 H new ATOM 0 HD2 HIS A 475 -8.341 -1.418 -16.184 1.00 41.32 H new ATOM 0 HE1 HIS A 475 -4.136 -1.583 -16.445 1.00 64.24 H new ATOM 0 HE2 HIS A 475 -6.269 -2.955 -16.716 1.00 20.20 H new ATOM 607 N GLY A 476 -7.713 1.999 -11.887 1.00 43.51 N ATOM 608 CA GLY A 476 -6.910 2.028 -10.694 1.00 31.03 C ATOM 609 C GLY A 476 -7.000 0.739 -9.911 1.00 63.00 C ATOM 610 O GLY A 476 -6.180 0.480 -9.034 1.00 11.04 O ATOM 0 H GLY A 476 -8.572 2.546 -11.830 1.00 43.51 H new ATOM 0 HA2 GLY A 476 -5.870 2.215 -10.963 1.00 31.03 H new ATOM 0 HA3 GLY A 476 -7.230 2.857 -10.063 1.00 31.03 H new ATOM 614 N VAL A 477 -7.994 -0.054 -10.218 1.00 52.10 N ATOM 615 CA VAL A 477 -8.181 -1.326 -9.579 1.00 62.43 C ATOM 616 C VAL A 477 -7.316 -2.396 -10.255 1.00 4.35 C ATOM 617 O VAL A 477 -7.363 -2.586 -11.468 1.00 14.12 O ATOM 618 CB VAL A 477 -9.694 -1.746 -9.531 1.00 50.13 C ATOM 619 CG1 VAL A 477 -10.323 -1.783 -10.919 1.00 1.22 C ATOM 620 CG2 VAL A 477 -9.877 -3.088 -8.824 1.00 61.10 C ATOM 0 H VAL A 477 -8.698 0.168 -10.922 1.00 52.10 H new ATOM 0 HA VAL A 477 -7.856 -1.230 -8.543 1.00 62.43 H new ATOM 0 HB VAL A 477 -10.213 -0.980 -8.954 1.00 50.13 H new ATOM 0 HG11 VAL A 477 -11.369 -2.078 -10.837 1.00 1.22 H new ATOM 0 HG12 VAL A 477 -10.260 -0.794 -11.374 1.00 1.22 H new ATOM 0 HG13 VAL A 477 -9.791 -2.503 -11.541 1.00 1.22 H new ATOM 0 HG21 VAL A 477 -10.935 -3.349 -8.808 1.00 61.10 H new ATOM 0 HG22 VAL A 477 -9.321 -3.859 -9.357 1.00 61.10 H new ATOM 0 HG23 VAL A 477 -9.506 -3.014 -7.802 1.00 61.10 H new ATOM 630 N HIS A 478 -6.499 -3.032 -9.469 1.00 74.11 N ATOM 631 CA HIS A 478 -5.620 -4.092 -9.910 1.00 12.10 C ATOM 632 C HIS A 478 -5.726 -5.236 -8.946 1.00 62.14 C ATOM 633 O HIS A 478 -5.418 -5.087 -7.771 1.00 51.24 O ATOM 634 CB HIS A 478 -4.166 -3.610 -9.975 1.00 42.44 C ATOM 635 CG HIS A 478 -3.840 -2.716 -11.137 1.00 23.21 C ATOM 636 ND1 HIS A 478 -4.109 -1.362 -11.182 1.00 44.32 N ATOM 637 CD2 HIS A 478 -3.224 -3.010 -12.301 1.00 15.01 C ATOM 638 CE1 HIS A 478 -3.652 -0.890 -12.342 1.00 54.20 C ATOM 639 NE2 HIS A 478 -3.100 -1.852 -13.063 1.00 41.34 N ATOM 0 H HIS A 478 -6.418 -2.827 -8.473 1.00 74.11 H new ATOM 0 HA HIS A 478 -5.918 -4.406 -10.910 1.00 12.10 H new ATOM 0 HB2 HIS A 478 -3.935 -3.078 -9.052 1.00 42.44 H new ATOM 0 HB3 HIS A 478 -3.512 -4.482 -10.013 1.00 42.44 H new ATOM 0 HD2 HIS A 478 -2.881 -3.991 -12.595 1.00 15.01 H new ATOM 0 HE1 HIS A 478 -3.723 0.142 -12.652 1.00 54.20 H new ATOM 0 HE2 HIS A 478 -2.673 -1.764 -13.985 1.00 41.34 H new ATOM 647 N MET A 479 -6.180 -6.352 -9.414 1.00 44.23 N ATOM 648 CA MET A 479 -6.354 -7.502 -8.565 1.00 64.23 C ATOM 649 C MET A 479 -5.120 -8.355 -8.583 1.00 42.33 C ATOM 650 O MET A 479 -4.434 -8.451 -9.608 1.00 43.25 O ATOM 651 CB MET A 479 -7.537 -8.354 -9.026 1.00 52.53 C ATOM 652 CG MET A 479 -8.866 -7.635 -9.069 1.00 22.10 C ATOM 653 SD MET A 479 -10.201 -8.713 -9.617 1.00 62.11 S ATOM 654 CE MET A 479 -11.561 -7.560 -9.622 1.00 53.21 C ATOM 0 H MET A 479 -6.442 -6.500 -10.389 1.00 44.23 H new ATOM 0 HA MET A 479 -6.544 -7.136 -7.556 1.00 64.23 H new ATOM 0 HB2 MET A 479 -7.319 -8.743 -10.021 1.00 52.53 H new ATOM 0 HB3 MET A 479 -7.627 -9.213 -8.361 1.00 52.53 H new ATOM 0 HG2 MET A 479 -9.099 -7.245 -8.078 1.00 22.10 H new ATOM 0 HG3 MET A 479 -8.793 -6.779 -9.740 1.00 22.10 H new ATOM 0 HE1 MET A 479 -12.470 -8.071 -9.940 1.00 53.21 H new ATOM 0 HE2 MET A 479 -11.702 -7.160 -8.618 1.00 53.21 H new ATOM 0 HE3 MET A 479 -11.343 -6.744 -10.311 1.00 53.21 H new ATOM 664 N VAL A 480 -4.820 -8.960 -7.465 1.00 25.30 N ATOM 665 CA VAL A 480 -3.766 -9.922 -7.409 1.00 72.32 C ATOM 666 C VAL A 480 -4.384 -11.234 -7.843 1.00 55.44 C ATOM 667 O VAL A 480 -5.116 -11.904 -7.082 1.00 74.50 O ATOM 668 CB VAL A 480 -3.128 -10.045 -5.996 1.00 1.10 C ATOM 669 CG1 VAL A 480 -2.015 -11.086 -5.990 1.00 4.13 C ATOM 670 CG2 VAL A 480 -2.589 -8.693 -5.541 1.00 32.33 C ATOM 0 H VAL A 480 -5.297 -8.798 -6.578 1.00 25.30 H new ATOM 0 HA VAL A 480 -2.945 -9.618 -8.059 1.00 72.32 H new ATOM 0 HB VAL A 480 -3.901 -10.369 -5.300 1.00 1.10 H new ATOM 0 HG11 VAL A 480 -1.585 -11.153 -4.991 1.00 4.13 H new ATOM 0 HG12 VAL A 480 -2.422 -12.056 -6.276 1.00 4.13 H new ATOM 0 HG13 VAL A 480 -1.240 -10.795 -6.699 1.00 4.13 H new ATOM 0 HG21 VAL A 480 -2.145 -8.793 -4.551 1.00 32.33 H new ATOM 0 HG22 VAL A 480 -1.832 -8.348 -6.245 1.00 32.33 H new ATOM 0 HG23 VAL A 480 -3.404 -7.971 -5.502 1.00 32.33 H new ATOM 680 N LEU A 481 -4.209 -11.515 -9.095 1.00 33.22 N ATOM 681 CA LEU A 481 -4.787 -12.662 -9.703 1.00 42.11 C ATOM 682 C LEU A 481 -3.859 -13.831 -9.764 1.00 51.34 C ATOM 683 O LEU A 481 -2.634 -13.709 -9.630 1.00 63.14 O ATOM 684 CB LEU A 481 -5.405 -12.334 -11.095 1.00 14.45 C ATOM 685 CG LEU A 481 -4.585 -11.448 -12.068 1.00 71.32 C ATOM 686 CD1 LEU A 481 -3.317 -12.132 -12.556 1.00 22.25 C ATOM 687 CD2 LEU A 481 -5.444 -11.017 -13.244 1.00 64.45 C ATOM 0 H LEU A 481 -3.652 -10.943 -9.730 1.00 33.22 H new ATOM 0 HA LEU A 481 -5.603 -12.966 -9.048 1.00 42.11 H new ATOM 0 HB2 LEU A 481 -5.612 -13.278 -11.598 1.00 14.45 H new ATOM 0 HB3 LEU A 481 -6.364 -11.845 -10.927 1.00 14.45 H new ATOM 0 HG LEU A 481 -4.273 -10.566 -11.509 1.00 71.32 H new ATOM 0 HD11 LEU A 481 -2.782 -11.467 -13.234 1.00 22.25 H new ATOM 0 HD12 LEU A 481 -2.681 -12.369 -11.704 1.00 22.25 H new ATOM 0 HD13 LEU A 481 -3.578 -13.051 -13.081 1.00 22.25 H new ATOM 0 HD21 LEU A 481 -4.854 -10.396 -13.917 1.00 64.45 H new ATOM 0 HD22 LEU A 481 -5.797 -11.899 -13.779 1.00 64.45 H new ATOM 0 HD23 LEU A 481 -6.299 -10.447 -12.880 1.00 64.45 H new ATOM 699 N ASN A 482 -4.455 -14.951 -9.950 1.00 10.21 N ATOM 700 CA ASN A 482 -3.776 -16.183 -10.140 1.00 20.40 C ATOM 701 C ASN A 482 -3.539 -16.247 -11.635 1.00 64.44 C ATOM 702 O ASN A 482 -4.208 -15.521 -12.366 1.00 71.24 O ATOM 703 CB ASN A 482 -4.716 -17.314 -9.677 1.00 52.13 C ATOM 704 CG ASN A 482 -4.109 -18.690 -9.736 1.00 21.42 C ATOM 705 OD1 ASN A 482 -4.190 -19.373 -10.755 1.00 31.15 O ATOM 706 ND2 ASN A 482 -3.542 -19.129 -8.647 1.00 40.02 N ATOM 0 H ASN A 482 -5.471 -15.040 -9.975 1.00 10.21 H new ATOM 0 HA ASN A 482 -2.842 -16.275 -9.586 1.00 20.40 H new ATOM 0 HB2 ASN A 482 -5.030 -17.112 -8.653 1.00 52.13 H new ATOM 0 HB3 ASN A 482 -5.614 -17.299 -10.295 1.00 52.13 H new ATOM 0 HD21 ASN A 482 -3.147 -20.069 -8.621 1.00 40.02 H new ATOM 0 HD22 ASN A 482 -3.494 -18.533 -7.821 1.00 40.02 H new ATOM 713 N HIS A 483 -2.654 -17.079 -12.117 1.00 72.03 N ATOM 714 CA HIS A 483 -2.385 -17.120 -13.565 1.00 64.42 C ATOM 715 C HIS A 483 -3.550 -17.715 -14.358 1.00 20.12 C ATOM 716 O HIS A 483 -3.551 -17.724 -15.588 1.00 22.22 O ATOM 717 CB HIS A 483 -1.048 -17.786 -13.882 1.00 24.04 C ATOM 718 CG HIS A 483 0.119 -16.955 -13.434 1.00 1.41 C ATOM 719 ND1 HIS A 483 0.838 -17.174 -12.280 1.00 33.15 N ATOM 720 CD2 HIS A 483 0.676 -15.871 -14.013 1.00 15.12 C ATOM 721 CE1 HIS A 483 1.784 -16.238 -12.194 1.00 72.25 C ATOM 722 NE2 HIS A 483 1.729 -15.415 -13.227 1.00 62.13 N ATOM 0 H HIS A 483 -2.107 -17.733 -11.557 1.00 72.03 H new ATOM 0 HA HIS A 483 -2.296 -16.086 -13.898 1.00 64.42 H new ATOM 0 HB2 HIS A 483 -1.005 -18.761 -13.396 1.00 24.04 H new ATOM 0 HB3 HIS A 483 -0.977 -17.961 -14.955 1.00 24.04 H new ATOM 0 HD2 HIS A 483 0.354 -15.426 -14.943 1.00 15.12 H new ATOM 0 HE1 HIS A 483 2.499 -16.162 -11.388 1.00 72.25 H new ATOM 0 HE2 HIS A 483 2.333 -14.613 -13.409 1.00 62.13 H new ATOM 730 N GLN A 484 -4.545 -18.187 -13.624 1.00 71.34 N ATOM 731 CA GLN A 484 -5.800 -18.636 -14.174 1.00 13.41 C ATOM 732 C GLN A 484 -6.733 -17.405 -14.391 1.00 43.43 C ATOM 733 O GLN A 484 -7.830 -17.514 -14.946 1.00 75.31 O ATOM 734 CB GLN A 484 -6.432 -19.640 -13.207 1.00 20.43 C ATOM 735 CG GLN A 484 -7.657 -20.360 -13.735 1.00 30.43 C ATOM 736 CD GLN A 484 -8.248 -21.304 -12.714 1.00 60.22 C ATOM 737 OE1 GLN A 484 -8.163 -21.068 -11.512 1.00 2.45 O ATOM 738 NE2 GLN A 484 -8.846 -22.362 -13.166 1.00 74.11 N ATOM 0 H GLN A 484 -4.495 -18.268 -12.608 1.00 71.34 H new ATOM 0 HA GLN A 484 -5.645 -19.125 -15.136 1.00 13.41 H new ATOM 0 HB2 GLN A 484 -5.681 -20.383 -12.938 1.00 20.43 H new ATOM 0 HB3 GLN A 484 -6.705 -19.116 -12.291 1.00 20.43 H new ATOM 0 HG2 GLN A 484 -8.409 -19.627 -14.028 1.00 30.43 H new ATOM 0 HG3 GLN A 484 -7.390 -20.919 -14.632 1.00 30.43 H new ATOM 0 HE21 GLN A 484 -8.899 -22.528 -14.171 1.00 74.11 H new ATOM 0 HE22 GLN A 484 -9.264 -23.028 -12.517 1.00 74.11 H new ATOM 747 N GLY A 485 -6.283 -16.247 -13.913 1.00 23.41 N ATOM 748 CA GLY A 485 -6.994 -15.005 -14.080 1.00 55.44 C ATOM 749 C GLY A 485 -8.095 -14.828 -13.085 1.00 42.04 C ATOM 750 O GLY A 485 -9.104 -14.157 -13.347 1.00 5.51 O ATOM 0 H GLY A 485 -5.408 -16.155 -13.397 1.00 23.41 H new ATOM 0 HA2 GLY A 485 -6.293 -14.176 -13.990 1.00 55.44 H new ATOM 0 HA3 GLY A 485 -7.410 -14.963 -15.087 1.00 55.44 H new ATOM 754 N ARG A 486 -7.906 -15.413 -11.945 1.00 33.13 N ATOM 755 CA ARG A 486 -8.866 -15.333 -10.876 1.00 40.33 C ATOM 756 C ARG A 486 -8.223 -14.638 -9.700 1.00 4.12 C ATOM 757 O ARG A 486 -7.119 -15.005 -9.327 1.00 22.21 O ATOM 758 CB ARG A 486 -9.329 -16.735 -10.483 1.00 51.00 C ATOM 759 CG ARG A 486 -10.038 -17.469 -11.607 1.00 1.34 C ATOM 760 CD ARG A 486 -10.442 -18.872 -11.211 1.00 11.31 C ATOM 761 NE ARG A 486 -11.332 -18.887 -10.058 1.00 41.32 N ATOM 762 CZ ARG A 486 -12.057 -19.929 -9.657 1.00 61.32 C ATOM 763 NH1 ARG A 486 -12.072 -21.054 -10.363 1.00 42.33 N ATOM 764 NH2 ARG A 486 -12.795 -19.818 -8.573 1.00 5.13 N ATOM 0 H ARG A 486 -7.078 -15.965 -11.722 1.00 33.13 H new ATOM 0 HA ARG A 486 -9.739 -14.766 -11.200 1.00 40.33 H new ATOM 0 HB2 ARG A 486 -8.466 -17.319 -10.164 1.00 51.00 H new ATOM 0 HB3 ARG A 486 -9.999 -16.662 -9.626 1.00 51.00 H new ATOM 0 HG2 ARG A 486 -10.924 -16.908 -11.902 1.00 1.34 H new ATOM 0 HG3 ARG A 486 -9.384 -17.514 -12.478 1.00 1.34 H new ATOM 0 HD2 ARG A 486 -10.935 -19.357 -12.054 1.00 11.31 H new ATOM 0 HD3 ARG A 486 -9.549 -19.455 -10.985 1.00 11.31 H new ATOM 0 HE ARG A 486 -11.406 -18.028 -9.513 1.00 41.32 H new ATOM 0 HH11 ARG A 486 -11.525 -21.125 -11.221 1.00 42.33 H new ATOM 0 HH12 ARG A 486 -12.631 -21.847 -10.047 1.00 42.33 H new ATOM 0 HH21 ARG A 486 -12.807 -18.941 -8.051 1.00 5.13 H new ATOM 0 HH22 ARG A 486 -13.355 -20.608 -8.254 1.00 5.13 H new ATOM 778 N PRO A 487 -8.853 -13.582 -9.151 1.00 13.12 N ATOM 779 CA PRO A 487 -8.326 -12.877 -7.986 1.00 42.45 C ATOM 780 C PRO A 487 -8.237 -13.801 -6.776 1.00 52.23 C ATOM 781 O PRO A 487 -9.231 -14.440 -6.389 1.00 13.54 O ATOM 782 CB PRO A 487 -9.343 -11.758 -7.729 1.00 42.10 C ATOM 783 CG PRO A 487 -10.572 -12.168 -8.464 1.00 41.25 C ATOM 784 CD PRO A 487 -10.115 -12.992 -9.627 1.00 41.22 C ATOM 0 HA PRO A 487 -7.317 -12.502 -8.156 1.00 42.45 H new ATOM 0 HB2 PRO A 487 -9.542 -11.644 -6.663 1.00 42.10 H new ATOM 0 HB3 PRO A 487 -8.971 -10.798 -8.088 1.00 42.10 H new ATOM 0 HG2 PRO A 487 -11.237 -12.742 -7.819 1.00 41.25 H new ATOM 0 HG3 PRO A 487 -11.131 -11.296 -8.802 1.00 41.25 H new ATOM 0 HD2 PRO A 487 -10.844 -13.759 -9.887 1.00 41.22 H new ATOM 0 HD3 PRO A 487 -9.963 -12.382 -10.517 1.00 41.22 H new ATOM 792 N SER A 488 -7.060 -13.862 -6.183 1.00 35.55 N ATOM 793 CA SER A 488 -6.792 -14.730 -5.054 1.00 3.22 C ATOM 794 C SER A 488 -7.420 -14.193 -3.746 1.00 71.40 C ATOM 795 O SER A 488 -7.353 -14.832 -2.694 1.00 32.11 O ATOM 796 CB SER A 488 -5.281 -14.897 -4.913 1.00 24.32 C ATOM 797 OG SER A 488 -4.716 -15.328 -6.149 1.00 61.04 O ATOM 0 H SER A 488 -6.256 -13.305 -6.474 1.00 35.55 H new ATOM 0 HA SER A 488 -7.254 -15.700 -5.238 1.00 3.22 H new ATOM 0 HB2 SER A 488 -4.830 -13.952 -4.608 1.00 24.32 H new ATOM 0 HB3 SER A 488 -5.059 -15.623 -4.131 1.00 24.32 H new ATOM 0 HG SER A 488 -3.747 -15.430 -6.048 1.00 61.04 H new ATOM 803 N GLY A 489 -8.048 -13.041 -3.834 1.00 51.54 N ATOM 804 CA GLY A 489 -8.679 -12.452 -2.679 1.00 54.43 C ATOM 805 C GLY A 489 -7.918 -11.262 -2.177 1.00 53.03 C ATOM 806 O GLY A 489 -8.186 -10.758 -1.097 1.00 40.32 O ATOM 0 H GLY A 489 -8.134 -12.497 -4.692 1.00 51.54 H new ATOM 0 HA2 GLY A 489 -9.696 -12.153 -2.933 1.00 54.43 H new ATOM 0 HA3 GLY A 489 -8.754 -13.196 -1.886 1.00 54.43 H new ATOM 810 N ASP A 490 -6.977 -10.823 -2.957 1.00 51.33 N ATOM 811 CA ASP A 490 -6.141 -9.691 -2.621 1.00 32.01 C ATOM 812 C ASP A 490 -6.107 -8.787 -3.831 1.00 63.15 C ATOM 813 O ASP A 490 -6.078 -9.284 -4.967 1.00 24.45 O ATOM 814 CB ASP A 490 -4.743 -10.203 -2.241 1.00 23.54 C ATOM 815 CG ASP A 490 -3.735 -9.126 -1.888 1.00 33.43 C ATOM 816 OD1 ASP A 490 -4.097 -8.103 -1.291 1.00 50.11 O ATOM 817 OD2 ASP A 490 -2.540 -9.340 -2.147 1.00 4.35 O ATOM 0 H ASP A 490 -6.758 -11.242 -3.861 1.00 51.33 H new ATOM 0 HA ASP A 490 -6.525 -9.130 -1.769 1.00 32.01 H new ATOM 0 HB2 ASP A 490 -4.840 -10.880 -1.392 1.00 23.54 H new ATOM 0 HB3 ASP A 490 -4.350 -10.788 -3.072 1.00 23.54 H new ATOM 822 N ALA A 491 -6.194 -7.503 -3.619 1.00 30.01 N ATOM 823 CA ALA A 491 -6.255 -6.544 -4.706 1.00 45.11 C ATOM 824 C ALA A 491 -5.893 -5.162 -4.220 1.00 43.51 C ATOM 825 O ALA A 491 -5.938 -4.884 -3.032 1.00 13.32 O ATOM 826 CB ALA A 491 -7.660 -6.514 -5.303 1.00 34.33 C ATOM 0 H ALA A 491 -6.225 -7.084 -2.690 1.00 30.01 H new ATOM 0 HA ALA A 491 -5.540 -6.852 -5.469 1.00 45.11 H new ATOM 0 HB1 ALA A 491 -7.694 -5.791 -6.118 1.00 34.33 H new ATOM 0 HB2 ALA A 491 -7.914 -7.503 -5.685 1.00 34.33 H new ATOM 0 HB3 ALA A 491 -8.376 -6.227 -4.533 1.00 34.33 H new ATOM 832 N PHE A 492 -5.548 -4.308 -5.135 1.00 1.13 N ATOM 833 CA PHE A 492 -5.220 -2.938 -4.852 1.00 34.01 C ATOM 834 C PHE A 492 -6.123 -2.033 -5.654 1.00 34.14 C ATOM 835 O PHE A 492 -6.467 -2.340 -6.795 1.00 4.11 O ATOM 836 CB PHE A 492 -3.778 -2.622 -5.241 1.00 52.15 C ATOM 837 CG PHE A 492 -2.708 -3.262 -4.411 1.00 72.24 C ATOM 838 CD1 PHE A 492 -2.119 -2.562 -3.370 1.00 70.14 C ATOM 839 CD2 PHE A 492 -2.273 -4.547 -4.681 1.00 3.40 C ATOM 840 CE1 PHE A 492 -1.117 -3.130 -2.617 1.00 21.33 C ATOM 841 CE2 PHE A 492 -1.276 -5.124 -3.930 1.00 50.34 C ATOM 842 CZ PHE A 492 -0.696 -4.414 -2.896 1.00 22.14 C ATOM 0 H PHE A 492 -5.484 -4.547 -6.124 1.00 1.13 H new ATOM 0 HA PHE A 492 -5.348 -2.778 -3.781 1.00 34.01 H new ATOM 0 HB2 PHE A 492 -3.631 -2.922 -6.278 1.00 52.15 H new ATOM 0 HB3 PHE A 492 -3.642 -1.541 -5.199 1.00 52.15 H new ATOM 0 HD1 PHE A 492 -2.450 -1.559 -3.147 1.00 70.14 H new ATOM 0 HD2 PHE A 492 -2.721 -5.103 -5.491 1.00 3.40 H new ATOM 0 HE1 PHE A 492 -0.662 -2.573 -1.811 1.00 21.33 H new ATOM 0 HE2 PHE A 492 -0.947 -6.129 -4.148 1.00 50.34 H new ATOM 0 HZ PHE A 492 0.088 -4.865 -2.305 1.00 22.14 H new ATOM 852 N ILE A 493 -6.510 -0.955 -5.072 1.00 42.33 N ATOM 853 CA ILE A 493 -7.277 0.053 -5.753 1.00 53.43 C ATOM 854 C ILE A 493 -6.592 1.363 -5.534 1.00 4.33 C ATOM 855 O ILE A 493 -6.294 1.719 -4.408 1.00 42.21 O ATOM 856 CB ILE A 493 -8.737 0.168 -5.232 1.00 34.21 C ATOM 857 CG1 ILE A 493 -9.511 -1.137 -5.439 1.00 33.32 C ATOM 858 CG2 ILE A 493 -9.465 1.345 -5.889 1.00 4.22 C ATOM 859 CD1 ILE A 493 -10.957 -1.090 -4.970 1.00 34.41 C ATOM 0 H ILE A 493 -6.306 -0.735 -4.097 1.00 42.33 H new ATOM 0 HA ILE A 493 -7.335 -0.222 -6.806 1.00 53.43 H new ATOM 0 HB ILE A 493 -8.688 0.356 -4.160 1.00 34.21 H new ATOM 0 HG12 ILE A 493 -9.493 -1.392 -6.499 1.00 33.32 H new ATOM 0 HG13 ILE A 493 -8.996 -1.939 -4.910 1.00 33.32 H new ATOM 0 HG21 ILE A 493 -10.484 1.402 -5.506 1.00 4.22 H new ATOM 0 HG22 ILE A 493 -8.939 2.272 -5.660 1.00 4.22 H new ATOM 0 HG23 ILE A 493 -9.491 1.200 -6.969 1.00 4.22 H new ATOM 0 HD11 ILE A 493 -11.431 -2.054 -5.154 1.00 34.41 H new ATOM 0 HD12 ILE A 493 -10.986 -0.869 -3.903 1.00 34.41 H new ATOM 0 HD13 ILE A 493 -11.492 -0.313 -5.517 1.00 34.41 H new ATOM 871 N GLN A 494 -6.311 2.039 -6.578 1.00 34.24 N ATOM 872 CA GLN A 494 -5.707 3.331 -6.469 1.00 31.24 C ATOM 873 C GLN A 494 -6.767 4.403 -6.642 1.00 51.31 C ATOM 874 O GLN A 494 -7.541 4.387 -7.620 1.00 21.51 O ATOM 875 CB GLN A 494 -4.569 3.531 -7.475 1.00 1.52 C ATOM 876 CG GLN A 494 -3.828 4.835 -7.236 1.00 23.42 C ATOM 877 CD GLN A 494 -2.673 5.091 -8.170 1.00 3.23 C ATOM 878 OE1 GLN A 494 -2.672 4.679 -9.339 1.00 11.11 O ATOM 879 NE2 GLN A 494 -1.685 5.757 -7.669 1.00 32.52 N ATOM 0 H GLN A 494 -6.487 1.726 -7.533 1.00 34.24 H new ATOM 0 HA GLN A 494 -5.264 3.409 -5.476 1.00 31.24 H new ATOM 0 HB2 GLN A 494 -3.870 2.697 -7.404 1.00 1.52 H new ATOM 0 HB3 GLN A 494 -4.973 3.523 -8.487 1.00 1.52 H new ATOM 0 HG2 GLN A 494 -4.536 5.659 -7.323 1.00 23.42 H new ATOM 0 HG3 GLN A 494 -3.456 4.842 -6.212 1.00 23.42 H new ATOM 0 HE21 GLN A 494 -1.725 6.079 -6.702 1.00 32.52 H new ATOM 0 HE22 GLN A 494 -0.865 5.961 -8.241 1.00 32.52 H new ATOM 888 N MET A 495 -6.836 5.286 -5.696 1.00 24.40 N ATOM 889 CA MET A 495 -7.748 6.386 -5.745 1.00 62.42 C ATOM 890 C MET A 495 -6.995 7.604 -6.183 1.00 15.44 C ATOM 891 O MET A 495 -5.777 7.572 -6.297 1.00 14.25 O ATOM 892 CB MET A 495 -8.435 6.611 -4.396 1.00 74.44 C ATOM 893 CG MET A 495 -9.262 5.422 -3.938 1.00 70.42 C ATOM 894 SD MET A 495 -10.197 5.730 -2.428 1.00 4.52 S ATOM 895 CE MET A 495 -11.295 7.009 -2.975 1.00 63.14 C ATOM 0 H MET A 495 -6.254 5.264 -4.858 1.00 24.40 H new ATOM 0 HA MET A 495 -8.541 6.167 -6.460 1.00 62.42 H new ATOM 0 HB2 MET A 495 -7.678 6.830 -3.643 1.00 74.44 H new ATOM 0 HB3 MET A 495 -9.079 7.488 -4.466 1.00 74.44 H new ATOM 0 HG2 MET A 495 -9.954 5.144 -4.733 1.00 70.42 H new ATOM 0 HG3 MET A 495 -8.601 4.570 -3.778 1.00 70.42 H new ATOM 0 HE1 MET A 495 -12.134 7.088 -2.284 1.00 63.14 H new ATOM 0 HE2 MET A 495 -10.760 7.958 -3.007 1.00 63.14 H new ATOM 0 HE3 MET A 495 -11.667 6.768 -3.971 1.00 63.14 H new ATOM 905 N LYS A 496 -7.694 8.651 -6.468 1.00 41.14 N ATOM 906 CA LYS A 496 -7.063 9.842 -6.961 1.00 51.22 C ATOM 907 C LYS A 496 -6.478 10.627 -5.791 1.00 22.15 C ATOM 908 O LYS A 496 -5.399 11.221 -5.903 1.00 0.14 O ATOM 909 CB LYS A 496 -8.087 10.677 -7.739 1.00 1.01 C ATOM 910 CG LYS A 496 -7.519 11.506 -8.912 1.00 72.43 C ATOM 911 CD LYS A 496 -6.540 12.589 -8.473 1.00 61.34 C ATOM 912 CE LYS A 496 -5.925 13.301 -9.668 1.00 43.11 C ATOM 913 NZ LYS A 496 -4.977 14.354 -9.252 1.00 21.22 N ATOM 0 H LYS A 496 -8.707 8.712 -6.370 1.00 41.14 H new ATOM 0 HA LYS A 496 -6.249 9.584 -7.639 1.00 51.22 H new ATOM 0 HB2 LYS A 496 -8.854 10.008 -8.129 1.00 1.01 H new ATOM 0 HB3 LYS A 496 -8.580 11.356 -7.043 1.00 1.01 H new ATOM 0 HG2 LYS A 496 -7.018 10.836 -9.611 1.00 72.43 H new ATOM 0 HG3 LYS A 496 -8.344 11.970 -9.452 1.00 72.43 H new ATOM 0 HD2 LYS A 496 -7.056 13.313 -7.842 1.00 61.34 H new ATOM 0 HD3 LYS A 496 -5.751 12.144 -7.867 1.00 61.34 H new ATOM 0 HE2 LYS A 496 -5.409 12.576 -10.297 1.00 43.11 H new ATOM 0 HE3 LYS A 496 -6.716 13.743 -10.274 1.00 43.11 H new ATOM 0 HZ1 LYS A 496 -4.579 14.816 -10.095 1.00 21.22 H new ATOM 0 HZ2 LYS A 496 -5.475 15.060 -8.673 1.00 21.22 H new ATOM 0 HZ3 LYS A 496 -4.208 13.929 -8.695 1.00 21.22 H new ATOM 927 N SER A 497 -7.158 10.601 -4.671 1.00 33.34 N ATOM 928 CA SER A 497 -6.726 11.317 -3.538 1.00 60.52 C ATOM 929 C SER A 497 -6.520 10.389 -2.344 1.00 54.30 C ATOM 930 O SER A 497 -7.309 9.471 -2.097 1.00 73.13 O ATOM 931 CB SER A 497 -7.699 12.452 -3.249 1.00 64.41 C ATOM 932 OG SER A 497 -7.718 13.378 -4.346 1.00 34.21 O ATOM 0 H SER A 497 -8.023 10.078 -4.538 1.00 33.34 H new ATOM 0 HA SER A 497 -5.752 11.763 -3.739 1.00 60.52 H new ATOM 0 HB2 SER A 497 -8.699 12.051 -3.084 1.00 64.41 H new ATOM 0 HB3 SER A 497 -7.407 12.967 -2.334 1.00 64.41 H new ATOM 0 HG SER A 497 -8.348 14.103 -4.151 1.00 34.21 H new ATOM 938 N ALA A 498 -5.479 10.670 -1.588 1.00 21.24 N ATOM 939 CA ALA A 498 -5.057 9.831 -0.483 1.00 71.44 C ATOM 940 C ALA A 498 -5.946 10.001 0.721 1.00 22.55 C ATOM 941 O ALA A 498 -6.060 9.106 1.557 1.00 2.11 O ATOM 942 CB ALA A 498 -3.627 10.154 -0.119 1.00 20.30 C ATOM 0 H ALA A 498 -4.895 11.495 -1.724 1.00 21.24 H new ATOM 0 HA ALA A 498 -5.132 8.792 -0.803 1.00 71.44 H new ATOM 0 HB1 ALA A 498 -3.311 9.523 0.712 1.00 20.30 H new ATOM 0 HB2 ALA A 498 -2.983 9.971 -0.979 1.00 20.30 H new ATOM 0 HB3 ALA A 498 -3.554 11.202 0.173 1.00 20.30 H new ATOM 948 N ASP A 499 -6.609 11.123 0.783 1.00 21.33 N ATOM 949 CA ASP A 499 -7.442 11.443 1.926 1.00 14.34 C ATOM 950 C ASP A 499 -8.671 10.582 1.946 1.00 14.22 C ATOM 951 O ASP A 499 -9.084 10.082 3.001 1.00 12.42 O ATOM 952 CB ASP A 499 -7.775 12.931 1.984 1.00 52.33 C ATOM 953 CG ASP A 499 -8.529 13.469 0.804 1.00 73.25 C ATOM 954 OD1 ASP A 499 -7.946 13.526 -0.298 1.00 65.02 O ATOM 955 OD2 ASP A 499 -9.687 13.902 0.966 1.00 23.13 O ATOM 0 H ASP A 499 -6.593 11.838 0.056 1.00 21.33 H new ATOM 0 HA ASP A 499 -6.874 11.221 2.830 1.00 14.34 H new ATOM 0 HB2 ASP A 499 -8.360 13.120 2.884 1.00 52.33 H new ATOM 0 HB3 ASP A 499 -6.845 13.490 2.085 1.00 52.33 H new ATOM 960 N ARG A 500 -9.231 10.386 0.788 1.00 1.31 N ATOM 961 CA ARG A 500 -10.342 9.458 0.646 1.00 54.32 C ATOM 962 C ARG A 500 -9.887 8.019 0.748 1.00 71.51 C ATOM 963 O ARG A 500 -10.573 7.204 1.357 1.00 75.00 O ATOM 964 CB ARG A 500 -11.199 9.655 -0.612 1.00 34.10 C ATOM 965 CG ARG A 500 -12.206 10.779 -0.524 1.00 51.35 C ATOM 966 CD ARG A 500 -11.575 12.130 -0.674 1.00 51.15 C ATOM 967 NE ARG A 500 -11.150 12.376 -2.050 1.00 53.22 N ATOM 968 CZ ARG A 500 -11.060 13.584 -2.586 1.00 72.55 C ATOM 969 NH1 ARG A 500 -11.013 14.659 -1.800 1.00 51.20 N ATOM 970 NH2 ARG A 500 -10.936 13.714 -3.889 1.00 64.00 N ATOM 0 H ARG A 500 -8.946 10.849 -0.075 1.00 1.31 H new ATOM 0 HA ARG A 500 -10.993 9.696 1.487 1.00 54.32 H new ATOM 0 HB2 ARG A 500 -10.539 9.843 -1.458 1.00 34.10 H new ATOM 0 HB3 ARG A 500 -11.730 8.726 -0.822 1.00 34.10 H new ATOM 0 HG2 ARG A 500 -12.961 10.647 -1.299 1.00 51.35 H new ATOM 0 HG3 ARG A 500 -12.721 10.727 0.435 1.00 51.35 H new ATOM 0 HD2 ARG A 500 -12.284 12.899 -0.369 1.00 51.15 H new ATOM 0 HD3 ARG A 500 -10.716 12.207 -0.008 1.00 51.15 H new ATOM 0 HE ARG A 500 -10.909 11.573 -2.630 1.00 53.22 H new ATOM 0 HH11 ARG A 500 -11.046 14.551 -0.786 1.00 51.20 H new ATOM 0 HH12 ARG A 500 -10.944 15.589 -2.212 1.00 51.20 H new ATOM 0 HH21 ARG A 500 -10.909 12.886 -4.484 1.00 64.00 H new ATOM 0 HH22 ARG A 500 -10.867 14.643 -4.305 1.00 64.00 H new ATOM 984 N ALA A 501 -8.720 7.716 0.181 1.00 14.24 N ATOM 985 CA ALA A 501 -8.157 6.361 0.233 1.00 53.52 C ATOM 986 C ALA A 501 -7.982 5.904 1.674 1.00 43.22 C ATOM 987 O ALA A 501 -8.359 4.782 2.042 1.00 44.54 O ATOM 988 CB ALA A 501 -6.830 6.304 -0.506 1.00 24.22 C ATOM 0 H ALA A 501 -8.142 8.390 -0.322 1.00 14.24 H new ATOM 0 HA ALA A 501 -8.856 5.685 -0.259 1.00 53.52 H new ATOM 0 HB1 ALA A 501 -6.429 5.292 -0.456 1.00 24.22 H new ATOM 0 HB2 ALA A 501 -6.982 6.583 -1.549 1.00 24.22 H new ATOM 0 HB3 ALA A 501 -6.126 6.996 -0.044 1.00 24.22 H new ATOM 994 N PHE A 502 -7.452 6.794 2.496 1.00 3.50 N ATOM 995 CA PHE A 502 -7.246 6.520 3.901 1.00 61.14 C ATOM 996 C PHE A 502 -8.583 6.281 4.599 1.00 42.25 C ATOM 997 O PHE A 502 -8.698 5.386 5.437 1.00 14.13 O ATOM 998 CB PHE A 502 -6.474 7.677 4.567 1.00 65.15 C ATOM 999 CG PHE A 502 -6.135 7.452 6.021 1.00 5.22 C ATOM 1000 CD1 PHE A 502 -4.974 6.787 6.377 1.00 24.44 C ATOM 1001 CD2 PHE A 502 -6.973 7.912 7.027 1.00 70.21 C ATOM 1002 CE1 PHE A 502 -4.654 6.586 7.703 1.00 14.50 C ATOM 1003 CE2 PHE A 502 -6.659 7.712 8.354 1.00 60.13 C ATOM 1004 CZ PHE A 502 -5.498 7.048 8.694 1.00 50.21 C ATOM 0 H PHE A 502 -7.154 7.725 2.205 1.00 3.50 H new ATOM 0 HA PHE A 502 -6.648 5.614 3.996 1.00 61.14 H new ATOM 0 HB2 PHE A 502 -5.550 7.845 4.014 1.00 65.15 H new ATOM 0 HB3 PHE A 502 -7.067 8.588 4.482 1.00 65.15 H new ATOM 0 HD1 PHE A 502 -4.311 6.421 5.607 1.00 24.44 H new ATOM 0 HD2 PHE A 502 -7.882 8.433 6.767 1.00 70.21 H new ATOM 0 HE1 PHE A 502 -3.744 6.068 7.967 1.00 14.50 H new ATOM 0 HE2 PHE A 502 -7.321 8.074 9.127 1.00 60.13 H new ATOM 0 HZ PHE A 502 -5.250 6.890 9.733 1.00 50.21 H new ATOM 1014 N MET A 503 -9.599 7.053 4.226 1.00 51.25 N ATOM 1015 CA MET A 503 -10.915 6.909 4.829 1.00 33.13 C ATOM 1016 C MET A 503 -11.594 5.621 4.392 1.00 31.32 C ATOM 1017 O MET A 503 -12.307 4.999 5.180 1.00 35.44 O ATOM 1018 CB MET A 503 -11.823 8.104 4.559 1.00 75.04 C ATOM 1019 CG MET A 503 -11.383 9.395 5.218 1.00 61.21 C ATOM 1020 SD MET A 503 -12.567 10.729 4.951 1.00 43.43 S ATOM 1021 CE MET A 503 -11.766 12.068 5.835 1.00 40.12 C ATOM 0 H MET A 503 -9.535 7.780 3.513 1.00 51.25 H new ATOM 0 HA MET A 503 -10.747 6.866 5.905 1.00 33.13 H new ATOM 0 HB2 MET A 503 -11.881 8.263 3.482 1.00 75.04 H new ATOM 0 HB3 MET A 503 -12.830 7.863 4.900 1.00 75.04 H new ATOM 0 HG2 MET A 503 -11.257 9.231 6.288 1.00 61.21 H new ATOM 0 HG3 MET A 503 -10.410 9.690 4.824 1.00 61.21 H new ATOM 0 HE1 MET A 503 -12.377 12.968 5.764 1.00 40.12 H new ATOM 0 HE2 MET A 503 -11.647 11.792 6.883 1.00 40.12 H new ATOM 0 HE3 MET A 503 -10.786 12.259 5.397 1.00 40.12 H new ATOM 1031 N ALA A 504 -11.366 5.220 3.154 1.00 12.54 N ATOM 1032 CA ALA A 504 -11.908 3.979 2.635 1.00 51.34 C ATOM 1033 C ALA A 504 -11.262 2.803 3.350 1.00 64.14 C ATOM 1034 O ALA A 504 -11.940 1.871 3.781 1.00 54.22 O ATOM 1035 CB ALA A 504 -11.695 3.886 1.132 1.00 34.43 C ATOM 0 H ALA A 504 -10.803 5.743 2.484 1.00 12.54 H new ATOM 0 HA ALA A 504 -12.982 3.955 2.818 1.00 51.34 H new ATOM 0 HB1 ALA A 504 -12.109 2.948 0.763 1.00 34.43 H new ATOM 0 HB2 ALA A 504 -12.195 4.721 0.641 1.00 34.43 H new ATOM 0 HB3 ALA A 504 -10.628 3.923 0.913 1.00 34.43 H new ATOM 1041 N ALA A 505 -9.948 2.885 3.532 1.00 51.14 N ATOM 1042 CA ALA A 505 -9.206 1.857 4.242 1.00 74.23 C ATOM 1043 C ALA A 505 -9.602 1.816 5.700 1.00 41.25 C ATOM 1044 O ALA A 505 -9.533 0.786 6.336 1.00 12.23 O ATOM 1045 CB ALA A 505 -7.712 2.073 4.099 1.00 33.41 C ATOM 0 H ALA A 505 -9.375 3.658 3.194 1.00 51.14 H new ATOM 0 HA ALA A 505 -9.455 0.894 3.795 1.00 74.23 H new ATOM 0 HB1 ALA A 505 -7.178 1.291 4.639 1.00 33.41 H new ATOM 0 HB2 ALA A 505 -7.439 2.037 3.044 1.00 33.41 H new ATOM 0 HB3 ALA A 505 -7.444 3.046 4.511 1.00 33.41 H new ATOM 1051 N GLN A 506 -9.995 2.946 6.219 1.00 62.32 N ATOM 1052 CA GLN A 506 -10.452 3.057 7.580 1.00 51.44 C ATOM 1053 C GLN A 506 -11.811 2.397 7.712 1.00 44.32 C ATOM 1054 O GLN A 506 -12.051 1.624 8.652 1.00 33.22 O ATOM 1055 CB GLN A 506 -10.537 4.527 7.964 1.00 33.43 C ATOM 1056 CG GLN A 506 -10.978 4.815 9.384 1.00 3.13 C ATOM 1057 CD GLN A 506 -11.229 6.292 9.583 1.00 1.13 C ATOM 1058 OE1 GLN A 506 -11.628 6.997 8.648 1.00 5.11 O ATOM 1059 NE2 GLN A 506 -10.996 6.776 10.762 1.00 63.30 N ATOM 0 H GLN A 506 -10.008 3.827 5.705 1.00 62.32 H new ATOM 0 HA GLN A 506 -9.752 2.556 8.249 1.00 51.44 H new ATOM 0 HB2 GLN A 506 -9.558 4.980 7.809 1.00 33.43 H new ATOM 0 HB3 GLN A 506 -11.229 5.021 7.282 1.00 33.43 H new ATOM 0 HG2 GLN A 506 -11.886 4.255 9.608 1.00 3.13 H new ATOM 0 HG3 GLN A 506 -10.213 4.475 10.082 1.00 3.13 H new ATOM 0 HE21 GLN A 506 -10.668 6.164 11.509 1.00 63.30 H new ATOM 0 HE22 GLN A 506 -11.141 7.769 10.943 1.00 63.30 H new ATOM 1068 N LYS A 507 -12.677 2.677 6.755 1.00 21.31 N ATOM 1069 CA LYS A 507 -14.018 2.139 6.738 1.00 34.20 C ATOM 1070 C LYS A 507 -13.978 0.625 6.639 1.00 61.53 C ATOM 1071 O LYS A 507 -14.679 -0.081 7.364 1.00 45.42 O ATOM 1072 CB LYS A 507 -14.814 2.679 5.538 1.00 45.11 C ATOM 1073 CG LYS A 507 -16.251 2.186 5.516 1.00 73.44 C ATOM 1074 CD LYS A 507 -16.959 2.481 4.208 1.00 65.41 C ATOM 1075 CE LYS A 507 -18.408 2.045 4.306 1.00 4.43 C ATOM 1076 NZ LYS A 507 -19.141 2.176 3.034 1.00 13.30 N ATOM 0 H LYS A 507 -12.465 3.287 5.966 1.00 21.31 H new ATOM 0 HA LYS A 507 -14.504 2.444 7.665 1.00 34.20 H new ATOM 0 HB2 LYS A 507 -14.809 3.769 5.565 1.00 45.11 H new ATOM 0 HB3 LYS A 507 -14.318 2.380 4.615 1.00 45.11 H new ATOM 0 HG2 LYS A 507 -16.263 1.111 5.695 1.00 73.44 H new ATOM 0 HG3 LYS A 507 -16.801 2.651 6.334 1.00 73.44 H new ATOM 0 HD2 LYS A 507 -16.903 3.546 3.985 1.00 65.41 H new ATOM 0 HD3 LYS A 507 -16.465 1.957 3.389 1.00 65.41 H new ATOM 0 HE2 LYS A 507 -18.447 1.007 4.635 1.00 4.43 H new ATOM 0 HE3 LYS A 507 -18.909 2.640 5.070 1.00 4.43 H new ATOM 0 HZ1 LYS A 507 -20.083 2.579 3.216 1.00 13.30 H new ATOM 0 HZ2 LYS A 507 -18.614 2.803 2.393 1.00 13.30 H new ATOM 0 HZ3 LYS A 507 -19.244 1.239 2.595 1.00 13.30 H new ATOM 1090 N CYS A 508 -13.144 0.139 5.778 1.00 34.12 N ATOM 1091 CA CYS A 508 -13.114 -1.251 5.485 1.00 32.10 C ATOM 1092 C CYS A 508 -12.005 -2.014 6.236 1.00 21.12 C ATOM 1093 O CYS A 508 -11.728 -3.184 5.945 1.00 1.33 O ATOM 1094 CB CYS A 508 -13.035 -1.431 3.986 1.00 11.15 C ATOM 1095 SG CYS A 508 -14.363 -0.583 3.095 1.00 12.43 S ATOM 0 H CYS A 508 -12.466 0.697 5.260 1.00 34.12 H new ATOM 0 HA CYS A 508 -14.037 -1.699 5.852 1.00 32.10 H new ATOM 0 HB2 CYS A 508 -12.074 -1.059 3.632 1.00 11.15 H new ATOM 0 HB3 CYS A 508 -13.071 -2.495 3.752 1.00 11.15 H new ATOM 0 HG CYS A 508 -15.213 -1.459 2.647 1.00 12.43 H new ATOM 1101 N HIS A 509 -11.367 -1.378 7.193 1.00 73.23 N ATOM 1102 CA HIS A 509 -10.412 -2.093 8.006 1.00 32.04 C ATOM 1103 C HIS A 509 -11.157 -2.952 9.031 1.00 52.44 C ATOM 1104 O HIS A 509 -11.734 -2.419 9.985 1.00 33.21 O ATOM 1105 CB HIS A 509 -9.442 -1.138 8.714 1.00 51.44 C ATOM 1106 CG HIS A 509 -8.257 -1.827 9.338 1.00 53.01 C ATOM 1107 ND1 HIS A 509 -7.081 -2.063 8.667 1.00 64.12 N ATOM 1108 CD2 HIS A 509 -8.082 -2.330 10.586 1.00 54.33 C ATOM 1109 CE1 HIS A 509 -6.244 -2.683 9.494 1.00 0.45 C ATOM 1110 NE2 HIS A 509 -6.802 -2.876 10.684 1.00 20.44 N ATOM 0 H HIS A 509 -11.488 -0.392 7.423 1.00 73.23 H new ATOM 0 HA HIS A 509 -9.819 -2.733 7.353 1.00 32.04 H new ATOM 0 HB2 HIS A 509 -9.085 -0.400 7.996 1.00 51.44 H new ATOM 0 HB3 HIS A 509 -9.983 -0.594 9.488 1.00 51.44 H new ATOM 0 HD1 HIS A 509 -6.884 -1.806 7.700 1.00 64.12 H new ATOM 0 HD2 HIS A 509 -8.817 -2.311 11.377 1.00 54.33 H new ATOM 0 HE1 HIS A 509 -5.242 -2.989 9.232 1.00 0.45 H new ATOM 1118 N LYS A 510 -11.200 -4.267 8.772 1.00 11.34 N ATOM 1119 CA LYS A 510 -11.812 -5.283 9.661 1.00 74.43 C ATOM 1120 C LYS A 510 -13.352 -5.186 9.618 1.00 63.31 C ATOM 1121 O LYS A 510 -14.066 -5.685 10.488 1.00 20.34 O ATOM 1122 CB LYS A 510 -11.254 -5.173 11.111 1.00 73.13 C ATOM 1123 CG LYS A 510 -11.608 -6.343 12.038 1.00 11.42 C ATOM 1124 CD LYS A 510 -11.055 -6.138 13.444 1.00 31.30 C ATOM 1125 CE LYS A 510 -11.422 -7.300 14.363 1.00 34.03 C ATOM 1126 NZ LYS A 510 -10.917 -7.109 15.743 1.00 2.43 N ATOM 0 H LYS A 510 -10.804 -4.669 7.922 1.00 11.34 H new ATOM 0 HA LYS A 510 -11.538 -6.272 9.295 1.00 74.43 H new ATOM 0 HB2 LYS A 510 -10.169 -5.087 11.060 1.00 73.13 H new ATOM 0 HB3 LYS A 510 -11.627 -4.251 11.558 1.00 73.13 H new ATOM 0 HG2 LYS A 510 -12.691 -6.454 12.086 1.00 11.42 H new ATOM 0 HG3 LYS A 510 -11.211 -7.269 11.623 1.00 11.42 H new ATOM 0 HD2 LYS A 510 -9.971 -6.037 13.399 1.00 31.30 H new ATOM 0 HD3 LYS A 510 -11.445 -5.208 13.858 1.00 31.30 H new ATOM 0 HE2 LYS A 510 -12.506 -7.412 14.388 1.00 34.03 H new ATOM 0 HE3 LYS A 510 -11.015 -8.225 13.955 1.00 34.03 H new ATOM 0 HZ1 LYS A 510 -11.191 -7.923 16.329 1.00 2.43 H new ATOM 0 HZ2 LYS A 510 -9.880 -7.029 15.725 1.00 2.43 H new ATOM 0 HZ3 LYS A 510 -11.325 -6.241 16.145 1.00 2.43 H new ATOM 1140 N LYS A 511 -13.846 -4.567 8.583 1.00 41.05 N ATOM 1141 CA LYS A 511 -15.265 -4.468 8.364 1.00 2.30 C ATOM 1142 C LYS A 511 -15.702 -5.722 7.627 1.00 21.32 C ATOM 1143 O LYS A 511 -14.923 -6.279 6.839 1.00 20.54 O ATOM 1144 CB LYS A 511 -15.592 -3.207 7.540 1.00 44.05 C ATOM 1145 CG LYS A 511 -17.084 -2.961 7.250 1.00 3.42 C ATOM 1146 CD LYS A 511 -17.905 -2.579 8.499 1.00 4.31 C ATOM 1147 CE LYS A 511 -17.778 -1.092 8.912 1.00 23.33 C ATOM 1148 NZ LYS A 511 -16.415 -0.688 9.332 1.00 70.01 N ATOM 0 H LYS A 511 -13.278 -4.116 7.866 1.00 41.05 H new ATOM 0 HA LYS A 511 -15.796 -4.385 9.312 1.00 2.30 H new ATOM 0 HB2 LYS A 511 -15.196 -2.339 8.068 1.00 44.05 H new ATOM 0 HB3 LYS A 511 -15.063 -3.270 6.589 1.00 44.05 H new ATOM 0 HG2 LYS A 511 -17.175 -2.166 6.510 1.00 3.42 H new ATOM 0 HG3 LYS A 511 -17.512 -3.860 6.806 1.00 3.42 H new ATOM 0 HD2 LYS A 511 -18.955 -2.804 8.313 1.00 4.31 H new ATOM 0 HD3 LYS A 511 -17.588 -3.205 9.334 1.00 4.31 H new ATOM 0 HE2 LYS A 511 -18.087 -0.467 8.074 1.00 23.33 H new ATOM 0 HE3 LYS A 511 -18.471 -0.894 9.730 1.00 23.33 H new ATOM 0 HZ1 LYS A 511 -16.478 0.122 9.981 1.00 70.01 H new ATOM 0 HZ2 LYS A 511 -15.950 -1.484 9.815 1.00 70.01 H new ATOM 0 HZ3 LYS A 511 -15.859 -0.419 8.495 1.00 70.01 H new ATOM 1162 N ASN A 512 -16.889 -6.193 7.878 1.00 24.01 N ATOM 1163 CA ASN A 512 -17.318 -7.388 7.194 1.00 75.20 C ATOM 1164 C ASN A 512 -18.179 -7.067 6.000 1.00 22.13 C ATOM 1165 O ASN A 512 -18.853 -6.031 5.951 1.00 15.01 O ATOM 1166 CB ASN A 512 -17.957 -8.480 8.120 1.00 2.33 C ATOM 1167 CG ASN A 512 -19.334 -8.167 8.713 1.00 34.41 C ATOM 1168 OD1 ASN A 512 -20.165 -7.500 8.113 1.00 25.13 O ATOM 1169 ND2 ASN A 512 -19.578 -8.653 9.903 1.00 64.52 N ATOM 0 H ASN A 512 -17.562 -5.787 8.529 1.00 24.01 H new ATOM 0 HA ASN A 512 -16.402 -7.852 6.828 1.00 75.20 H new ATOM 0 HB2 ASN A 512 -18.036 -9.405 7.549 1.00 2.33 H new ATOM 0 HB3 ASN A 512 -17.269 -8.672 8.943 1.00 2.33 H new ATOM 0 HD21 ASN A 512 -20.478 -8.478 10.351 1.00 64.52 H new ATOM 0 HD22 ASN A 512 -18.868 -9.207 10.383 1.00 64.52 H new ATOM 1176 N MET A 513 -18.092 -7.915 5.041 1.00 1.11 N ATOM 1177 CA MET A 513 -18.850 -7.867 3.842 1.00 22.33 C ATOM 1178 C MET A 513 -19.617 -9.157 3.817 1.00 3.01 C ATOM 1179 O MET A 513 -19.007 -10.245 3.757 1.00 45.41 O ATOM 1180 CB MET A 513 -17.901 -7.757 2.645 1.00 42.35 C ATOM 1181 CG MET A 513 -18.572 -7.579 1.298 1.00 25.12 C ATOM 1182 SD MET A 513 -17.356 -7.423 -0.030 1.00 52.33 S ATOM 1183 CE MET A 513 -18.420 -7.162 -1.437 1.00 4.43 C ATOM 0 H MET A 513 -17.452 -8.709 5.073 1.00 1.11 H new ATOM 0 HA MET A 513 -19.521 -7.009 3.793 1.00 22.33 H new ATOM 0 HB2 MET A 513 -17.229 -6.915 2.812 1.00 42.35 H new ATOM 0 HB3 MET A 513 -17.284 -8.655 2.609 1.00 42.35 H new ATOM 0 HG2 MET A 513 -19.223 -8.430 1.099 1.00 25.12 H new ATOM 0 HG3 MET A 513 -19.205 -6.692 1.320 1.00 25.12 H new ATOM 0 HE1 MET A 513 -17.814 -7.048 -2.335 1.00 4.43 H new ATOM 0 HE2 MET A 513 -19.085 -8.018 -1.554 1.00 4.43 H new ATOM 0 HE3 MET A 513 -19.013 -6.261 -1.282 1.00 4.43 H new ATOM 1193 N LYS A 514 -20.928 -9.048 3.943 1.00 30.33 N ATOM 1194 CA LYS A 514 -21.833 -10.178 4.103 1.00 71.31 C ATOM 1195 C LYS A 514 -21.606 -10.774 5.484 1.00 24.41 C ATOM 1196 O LYS A 514 -22.222 -10.346 6.449 1.00 23.22 O ATOM 1197 CB LYS A 514 -21.694 -11.230 2.970 1.00 72.33 C ATOM 1198 CG LYS A 514 -21.972 -10.679 1.576 1.00 2.52 C ATOM 1199 CD LYS A 514 -21.695 -11.722 0.507 1.00 71.43 C ATOM 1200 CE LYS A 514 -21.996 -11.198 -0.895 1.00 32.52 C ATOM 1201 NZ LYS A 514 -23.413 -10.802 -1.059 1.00 32.13 N ATOM 0 H LYS A 514 -21.408 -8.148 3.937 1.00 30.33 H new ATOM 0 HA LYS A 514 -22.862 -9.827 4.022 1.00 71.31 H new ATOM 0 HB2 LYS A 514 -20.685 -11.642 2.992 1.00 72.33 H new ATOM 0 HB3 LYS A 514 -22.379 -12.054 3.167 1.00 72.33 H new ATOM 0 HG2 LYS A 514 -23.011 -10.355 1.511 1.00 2.52 H new ATOM 0 HG3 LYS A 514 -21.352 -9.800 1.399 1.00 2.52 H new ATOM 0 HD2 LYS A 514 -20.651 -12.030 0.563 1.00 71.43 H new ATOM 0 HD3 LYS A 514 -22.299 -12.608 0.700 1.00 71.43 H new ATOM 0 HE2 LYS A 514 -21.356 -10.341 -1.104 1.00 32.52 H new ATOM 0 HE3 LYS A 514 -21.750 -11.967 -1.628 1.00 32.52 H new ATOM 0 HZ1 LYS A 514 -23.612 -10.632 -2.066 1.00 32.13 H new ATOM 0 HZ2 LYS A 514 -24.029 -11.563 -0.708 1.00 32.13 H new ATOM 0 HZ3 LYS A 514 -23.595 -9.932 -0.518 1.00 32.13 H new ATOM 1215 N ASP A 515 -20.665 -11.677 5.581 1.00 62.45 N ATOM 1216 CA ASP A 515 -20.257 -12.278 6.849 1.00 3.43 C ATOM 1217 C ASP A 515 -18.764 -12.524 6.889 1.00 4.44 C ATOM 1218 O ASP A 515 -18.232 -13.021 7.878 1.00 62.34 O ATOM 1219 CB ASP A 515 -20.996 -13.585 7.184 1.00 13.24 C ATOM 1220 CG ASP A 515 -22.384 -13.382 7.731 1.00 52.50 C ATOM 1221 OD1 ASP A 515 -23.362 -13.839 7.098 1.00 64.53 O ATOM 1222 OD2 ASP A 515 -22.526 -12.780 8.819 1.00 74.41 O ATOM 0 H ASP A 515 -20.146 -12.029 4.777 1.00 62.45 H new ATOM 0 HA ASP A 515 -20.533 -11.546 7.608 1.00 3.43 H new ATOM 0 HB2 ASP A 515 -21.057 -14.196 6.284 1.00 13.24 H new ATOM 0 HB3 ASP A 515 -20.409 -14.146 7.911 1.00 13.24 H new ATOM 1227 N ARG A 516 -18.089 -12.147 5.838 1.00 1.01 N ATOM 1228 CA ARG A 516 -16.669 -12.367 5.730 1.00 13.23 C ATOM 1229 C ARG A 516 -15.993 -11.065 5.976 1.00 64.32 C ATOM 1230 O ARG A 516 -16.477 -10.034 5.559 1.00 54.32 O ATOM 1231 CB ARG A 516 -16.343 -12.856 4.341 1.00 71.22 C ATOM 1232 CG ARG A 516 -14.886 -13.172 4.060 1.00 14.53 C ATOM 1233 CD ARG A 516 -14.748 -13.750 2.667 1.00 25.44 C ATOM 1234 NE ARG A 516 -13.354 -13.964 2.270 1.00 70.54 N ATOM 1235 CZ ARG A 516 -12.888 -15.070 1.656 1.00 60.55 C ATOM 1236 NH1 ARG A 516 -13.682 -16.125 1.464 1.00 2.10 N ATOM 1237 NH2 ARG A 516 -11.631 -15.117 1.240 1.00 41.42 N ATOM 0 H ARG A 516 -18.505 -11.679 5.033 1.00 1.01 H new ATOM 0 HA ARG A 516 -16.335 -13.113 6.451 1.00 13.23 H new ATOM 0 HB2 ARG A 516 -16.930 -13.754 4.149 1.00 71.22 H new ATOM 0 HB3 ARG A 516 -16.672 -12.101 3.627 1.00 71.22 H new ATOM 0 HG2 ARG A 516 -14.284 -12.268 4.150 1.00 14.53 H new ATOM 0 HG3 ARG A 516 -14.509 -13.881 4.797 1.00 14.53 H new ATOM 0 HD2 ARG A 516 -15.283 -14.698 2.619 1.00 25.44 H new ATOM 0 HD3 ARG A 516 -15.224 -13.079 1.952 1.00 25.44 H new ATOM 0 HE ARG A 516 -12.686 -13.220 2.473 1.00 70.54 H new ATOM 0 HH11 ARG A 516 -14.651 -16.099 1.783 1.00 2.10 H new ATOM 0 HH12 ARG A 516 -13.320 -16.957 0.998 1.00 2.10 H new ATOM 0 HH21 ARG A 516 -11.016 -14.316 1.384 1.00 41.42 H new ATOM 0 HH22 ARG A 516 -11.278 -15.954 0.775 1.00 41.42 H new ATOM 1251 N TYR A 517 -14.907 -11.104 6.624 1.00 54.20 N ATOM 1252 CA TYR A 517 -14.209 -9.909 6.975 1.00 21.12 C ATOM 1253 C TYR A 517 -13.161 -9.604 5.978 1.00 24.11 C ATOM 1254 O TYR A 517 -12.299 -10.432 5.676 1.00 14.33 O ATOM 1255 CB TYR A 517 -13.633 -9.971 8.375 1.00 62.13 C ATOM 1256 CG TYR A 517 -14.692 -9.981 9.457 1.00 23.13 C ATOM 1257 CD1 TYR A 517 -14.933 -8.851 10.225 1.00 35.12 C ATOM 1258 CD2 TYR A 517 -15.478 -11.101 9.681 1.00 14.14 C ATOM 1259 CE1 TYR A 517 -15.925 -8.841 11.184 1.00 61.42 C ATOM 1260 CE2 TYR A 517 -16.460 -11.099 10.636 1.00 73.31 C ATOM 1261 CZ TYR A 517 -16.683 -9.973 11.381 1.00 51.33 C ATOM 1262 OH TYR A 517 -17.681 -9.974 12.315 1.00 25.12 O ATOM 0 H TYR A 517 -14.458 -11.965 6.937 1.00 54.20 H new ATOM 0 HA TYR A 517 -14.935 -9.096 6.970 1.00 21.12 H new ATOM 0 HB2 TYR A 517 -13.019 -10.867 8.469 1.00 62.13 H new ATOM 0 HB3 TYR A 517 -12.975 -9.116 8.528 1.00 62.13 H new ATOM 0 HD1 TYR A 517 -14.335 -7.965 10.070 1.00 35.12 H new ATOM 0 HD2 TYR A 517 -15.313 -11.991 9.092 1.00 14.14 H new ATOM 0 HE1 TYR A 517 -16.105 -7.954 11.774 1.00 61.42 H new ATOM 0 HE2 TYR A 517 -17.057 -11.984 10.801 1.00 73.31 H new ATOM 0 HH TYR A 517 -18.118 -10.851 12.326 1.00 25.12 H new ATOM 1272 N VAL A 518 -13.242 -8.436 5.474 1.00 21.51 N ATOM 1273 CA VAL A 518 -12.343 -7.965 4.492 1.00 40.33 C ATOM 1274 C VAL A 518 -11.370 -7.060 5.190 1.00 54.04 C ATOM 1275 O VAL A 518 -11.769 -6.162 5.943 1.00 3.30 O ATOM 1276 CB VAL A 518 -13.096 -7.191 3.385 1.00 72.20 C ATOM 1277 CG1 VAL A 518 -12.139 -6.681 2.320 1.00 13.11 C ATOM 1278 CG2 VAL A 518 -14.169 -8.072 2.749 1.00 33.52 C ATOM 0 H VAL A 518 -13.956 -7.758 5.739 1.00 21.51 H new ATOM 0 HA VAL A 518 -11.829 -8.797 4.011 1.00 40.33 H new ATOM 0 HB VAL A 518 -13.576 -6.330 3.851 1.00 72.20 H new ATOM 0 HG11 VAL A 518 -12.699 -6.141 1.556 1.00 13.11 H new ATOM 0 HG12 VAL A 518 -11.410 -6.012 2.776 1.00 13.11 H new ATOM 0 HG13 VAL A 518 -11.621 -7.524 1.863 1.00 13.11 H new ATOM 0 HG21 VAL A 518 -14.688 -7.510 1.973 1.00 33.52 H new ATOM 0 HG22 VAL A 518 -13.702 -8.953 2.309 1.00 33.52 H new ATOM 0 HG23 VAL A 518 -14.884 -8.383 3.511 1.00 33.52 H new ATOM 1288 N GLU A 519 -10.121 -7.310 5.012 1.00 75.44 N ATOM 1289 CA GLU A 519 -9.138 -6.535 5.663 1.00 34.32 C ATOM 1290 C GLU A 519 -8.549 -5.594 4.665 1.00 52.42 C ATOM 1291 O GLU A 519 -7.867 -5.999 3.727 1.00 2.13 O ATOM 1292 CB GLU A 519 -8.099 -7.463 6.262 1.00 75.33 C ATOM 1293 CG GLU A 519 -8.730 -8.470 7.208 1.00 15.13 C ATOM 1294 CD GLU A 519 -7.776 -9.500 7.696 1.00 52.25 C ATOM 1295 OE1 GLU A 519 -7.544 -10.495 6.977 1.00 54.22 O ATOM 1296 OE2 GLU A 519 -7.263 -9.360 8.820 1.00 53.42 O ATOM 0 H GLU A 519 -9.758 -8.053 4.415 1.00 75.44 H new ATOM 0 HA GLU A 519 -9.562 -5.947 6.477 1.00 34.32 H new ATOM 0 HB2 GLU A 519 -7.577 -7.990 5.463 1.00 75.33 H new ATOM 0 HB3 GLU A 519 -7.352 -6.877 6.798 1.00 75.33 H new ATOM 0 HG2 GLU A 519 -9.150 -7.940 8.063 1.00 15.13 H new ATOM 0 HG3 GLU A 519 -9.559 -8.964 6.701 1.00 15.13 H new ATOM 1303 N VAL A 520 -8.865 -4.353 4.828 1.00 14.43 N ATOM 1304 CA VAL A 520 -8.405 -3.341 3.940 1.00 34.13 C ATOM 1305 C VAL A 520 -7.324 -2.496 4.603 1.00 0.43 C ATOM 1306 O VAL A 520 -7.441 -2.113 5.777 1.00 32.31 O ATOM 1307 CB VAL A 520 -9.593 -2.480 3.466 1.00 3.12 C ATOM 1308 CG1 VAL A 520 -9.136 -1.350 2.605 1.00 13.44 C ATOM 1309 CG2 VAL A 520 -10.576 -3.344 2.696 1.00 61.43 C ATOM 0 H VAL A 520 -9.454 -4.011 5.587 1.00 14.43 H new ATOM 0 HA VAL A 520 -7.957 -3.809 3.064 1.00 34.13 H new ATOM 0 HB VAL A 520 -10.080 -2.060 4.346 1.00 3.12 H new ATOM 0 HG11 VAL A 520 -9.998 -0.763 2.288 1.00 13.44 H new ATOM 0 HG12 VAL A 520 -8.453 -0.716 3.170 1.00 13.44 H new ATOM 0 HG13 VAL A 520 -8.623 -1.745 1.728 1.00 13.44 H new ATOM 0 HG21 VAL A 520 -11.414 -2.732 2.362 1.00 61.43 H new ATOM 0 HG22 VAL A 520 -10.077 -3.779 1.830 1.00 61.43 H new ATOM 0 HG23 VAL A 520 -10.943 -4.142 3.342 1.00 61.43 H new ATOM 1319 N PHE A 521 -6.269 -2.257 3.869 1.00 23.43 N ATOM 1320 CA PHE A 521 -5.131 -1.501 4.333 1.00 34.34 C ATOM 1321 C PHE A 521 -4.878 -0.365 3.356 1.00 31.01 C ATOM 1322 O PHE A 521 -5.330 -0.418 2.221 1.00 35.12 O ATOM 1323 CB PHE A 521 -3.886 -2.408 4.378 1.00 62.44 C ATOM 1324 CG PHE A 521 -4.067 -3.681 5.167 1.00 73.53 C ATOM 1325 CD1 PHE A 521 -4.347 -4.880 4.518 1.00 11.13 C ATOM 1326 CD2 PHE A 521 -3.968 -3.681 6.547 1.00 25.44 C ATOM 1327 CE1 PHE A 521 -4.521 -6.048 5.234 1.00 64.20 C ATOM 1328 CE2 PHE A 521 -4.142 -4.848 7.268 1.00 32.34 C ATOM 1329 CZ PHE A 521 -4.418 -6.032 6.610 1.00 71.42 C ATOM 0 H PHE A 521 -6.173 -2.589 2.909 1.00 23.43 H new ATOM 0 HA PHE A 521 -5.329 -1.111 5.332 1.00 34.34 H new ATOM 0 HB2 PHE A 521 -3.603 -2.665 3.357 1.00 62.44 H new ATOM 0 HB3 PHE A 521 -3.057 -1.845 4.807 1.00 62.44 H new ATOM 0 HD1 PHE A 521 -4.429 -4.897 3.441 1.00 11.13 H new ATOM 0 HD2 PHE A 521 -3.752 -2.759 7.067 1.00 25.44 H new ATOM 0 HE1 PHE A 521 -4.737 -6.972 4.718 1.00 64.20 H new ATOM 0 HE2 PHE A 521 -4.062 -4.834 8.345 1.00 32.34 H new ATOM 0 HZ PHE A 521 -4.553 -6.944 7.173 1.00 71.42 H new ATOM 1339 N GLN A 522 -4.180 0.641 3.784 1.00 0.32 N ATOM 1340 CA GLN A 522 -3.831 1.753 2.929 1.00 0.51 C ATOM 1341 C GLN A 522 -2.390 1.563 2.505 1.00 20.22 C ATOM 1342 O GLN A 522 -1.558 1.121 3.292 1.00 3.52 O ATOM 1343 CB GLN A 522 -4.084 3.069 3.697 1.00 22.12 C ATOM 1344 CG GLN A 522 -3.773 4.399 2.988 1.00 4.21 C ATOM 1345 CD GLN A 522 -2.340 4.860 3.193 1.00 2.40 C ATOM 1346 OE1 GLN A 522 -2.034 5.559 4.156 1.00 1.23 O ATOM 1347 NE2 GLN A 522 -1.480 4.529 2.291 1.00 40.10 N ATOM 0 H GLN A 522 -3.831 0.722 4.739 1.00 0.32 H new ATOM 0 HA GLN A 522 -4.441 1.801 2.027 1.00 0.51 H new ATOM 0 HB2 GLN A 522 -5.134 3.086 3.990 1.00 22.12 H new ATOM 0 HB3 GLN A 522 -3.497 3.036 4.615 1.00 22.12 H new ATOM 0 HG2 GLN A 522 -3.964 4.289 1.921 1.00 4.21 H new ATOM 0 HG3 GLN A 522 -4.452 5.168 3.356 1.00 4.21 H new ATOM 0 HE21 GLN A 522 -1.765 3.947 1.503 1.00 40.10 H new ATOM 0 HE22 GLN A 522 -0.514 4.849 2.365 1.00 40.10 H new ATOM 1356 N CYS A 523 -2.102 1.843 1.274 1.00 40.34 N ATOM 1357 CA CYS A 523 -0.781 1.610 0.730 1.00 5.12 C ATOM 1358 C CYS A 523 -0.380 2.732 -0.200 1.00 23.03 C ATOM 1359 O CYS A 523 -1.191 3.598 -0.532 1.00 21.34 O ATOM 1360 CB CYS A 523 -0.749 0.274 -0.011 1.00 14.00 C ATOM 1361 SG CYS A 523 -1.216 -1.139 1.015 1.00 62.41 S ATOM 0 H CYS A 523 -2.767 2.239 0.610 1.00 40.34 H new ATOM 0 HA CYS A 523 -0.068 1.577 1.554 1.00 5.12 H new ATOM 0 HB2 CYS A 523 -1.421 0.328 -0.867 1.00 14.00 H new ATOM 0 HB3 CYS A 523 0.255 0.111 -0.403 1.00 14.00 H new ATOM 0 HG CYS A 523 -0.962 -2.242 0.376 1.00 62.41 H new ATOM 1367 N SER A 524 0.855 2.740 -0.578 1.00 2.32 N ATOM 1368 CA SER A 524 1.359 3.716 -1.487 1.00 62.43 C ATOM 1369 C SER A 524 1.422 3.141 -2.872 1.00 35.35 C ATOM 1370 O SER A 524 1.414 1.906 -3.039 1.00 35.25 O ATOM 1371 CB SER A 524 2.742 4.175 -1.022 1.00 25.42 C ATOM 1372 OG SER A 524 3.569 3.045 -0.724 1.00 51.25 O ATOM 0 H SER A 524 1.550 2.063 -0.262 1.00 2.32 H new ATOM 0 HA SER A 524 0.693 4.579 -1.508 1.00 62.43 H new ATOM 0 HB2 SER A 524 3.210 4.782 -1.797 1.00 25.42 H new ATOM 0 HB3 SER A 524 2.645 4.806 -0.138 1.00 25.42 H new ATOM 0 HG SER A 524 4.451 3.354 -0.429 1.00 51.25 H new ATOM 1378 N ALA A 525 1.470 4.015 -3.866 1.00 63.41 N ATOM 1379 CA ALA A 525 1.646 3.601 -5.255 1.00 44.34 C ATOM 1380 C ALA A 525 2.931 2.785 -5.389 1.00 34.32 C ATOM 1381 O ALA A 525 3.017 1.862 -6.198 1.00 34.33 O ATOM 1382 CB ALA A 525 1.673 4.812 -6.176 1.00 31.21 C ATOM 0 H ALA A 525 1.389 5.024 -3.737 1.00 63.41 H new ATOM 0 HA ALA A 525 0.802 2.977 -5.550 1.00 44.34 H new ATOM 0 HB1 ALA A 525 1.805 4.482 -7.207 1.00 31.21 H new ATOM 0 HB2 ALA A 525 0.734 5.358 -6.087 1.00 31.21 H new ATOM 0 HB3 ALA A 525 2.500 5.464 -5.895 1.00 31.21 H new ATOM 1388 N GLU A 526 3.897 3.118 -4.541 1.00 10.25 N ATOM 1389 CA GLU A 526 5.173 2.434 -4.443 1.00 55.04 C ATOM 1390 C GLU A 526 4.963 1.003 -3.979 1.00 53.53 C ATOM 1391 O GLU A 526 5.401 0.063 -4.636 1.00 12.02 O ATOM 1392 CB GLU A 526 6.060 3.181 -3.451 1.00 43.01 C ATOM 1393 CG GLU A 526 7.422 2.570 -3.200 1.00 30.32 C ATOM 1394 CD GLU A 526 8.161 3.318 -2.132 1.00 43.10 C ATOM 1395 OE1 GLU A 526 7.881 3.097 -0.935 1.00 23.50 O ATOM 1396 OE2 GLU A 526 9.011 4.162 -2.454 1.00 21.34 O ATOM 0 H GLU A 526 3.808 3.894 -3.885 1.00 10.25 H new ATOM 0 HA GLU A 526 5.654 2.413 -5.421 1.00 55.04 H new ATOM 0 HB2 GLU A 526 6.200 4.200 -3.812 1.00 43.01 H new ATOM 0 HB3 GLU A 526 5.532 3.250 -2.500 1.00 43.01 H new ATOM 0 HG2 GLU A 526 7.307 1.527 -2.905 1.00 30.32 H new ATOM 0 HG3 GLU A 526 8.003 2.578 -4.122 1.00 30.32 H new ATOM 1403 N GLU A 527 4.245 0.854 -2.867 1.00 61.11 N ATOM 1404 CA GLU A 527 3.959 -0.452 -2.278 1.00 2.23 C ATOM 1405 C GLU A 527 3.201 -1.297 -3.288 1.00 73.34 C ATOM 1406 O GLU A 527 3.502 -2.463 -3.505 1.00 11.34 O ATOM 1407 CB GLU A 527 3.099 -0.271 -1.021 1.00 53.50 C ATOM 1408 CG GLU A 527 2.891 -1.532 -0.202 1.00 3.51 C ATOM 1409 CD GLU A 527 4.141 -1.953 0.521 1.00 14.12 C ATOM 1410 OE1 GLU A 527 5.081 -2.439 -0.114 1.00 1.42 O ATOM 1411 OE2 GLU A 527 4.209 -1.784 1.759 1.00 21.23 O ATOM 0 H GLU A 527 3.845 1.636 -2.349 1.00 61.11 H new ATOM 0 HA GLU A 527 4.893 -0.945 -2.009 1.00 2.23 H new ATOM 0 HB2 GLU A 527 3.563 0.484 -0.387 1.00 53.50 H new ATOM 0 HB3 GLU A 527 2.125 0.117 -1.318 1.00 53.50 H new ATOM 0 HG2 GLU A 527 2.093 -1.365 0.522 1.00 3.51 H new ATOM 0 HG3 GLU A 527 2.563 -2.339 -0.857 1.00 3.51 H new ATOM 1418 N MET A 528 2.260 -0.659 -3.934 1.00 74.52 N ATOM 1419 CA MET A 528 1.419 -1.290 -4.924 1.00 73.02 C ATOM 1420 C MET A 528 2.258 -1.788 -6.082 1.00 53.34 C ATOM 1421 O MET A 528 2.115 -2.928 -6.514 1.00 14.25 O ATOM 1422 CB MET A 528 0.381 -0.289 -5.417 1.00 21.13 C ATOM 1423 CG MET A 528 -0.574 -0.810 -6.471 1.00 63.31 C ATOM 1424 SD MET A 528 -1.599 0.510 -7.140 1.00 62.01 S ATOM 1425 CE MET A 528 -2.659 -0.401 -8.249 1.00 11.12 C ATOM 0 H MET A 528 2.051 0.328 -3.787 1.00 74.52 H new ATOM 0 HA MET A 528 0.911 -2.143 -4.475 1.00 73.02 H new ATOM 0 HB2 MET A 528 -0.201 0.056 -4.562 1.00 21.13 H new ATOM 0 HB3 MET A 528 0.901 0.580 -5.820 1.00 21.13 H new ATOM 0 HG2 MET A 528 -0.009 -1.277 -7.277 1.00 63.31 H new ATOM 0 HG3 MET A 528 -1.210 -1.582 -6.038 1.00 63.31 H new ATOM 0 HE1 MET A 528 -3.612 0.118 -8.350 1.00 11.12 H new ATOM 0 HE2 MET A 528 -2.183 -0.478 -9.226 1.00 11.12 H new ATOM 0 HE3 MET A 528 -2.831 -1.400 -7.849 1.00 11.12 H new ATOM 1435 N ASN A 529 3.168 -0.954 -6.533 1.00 14.15 N ATOM 1436 CA ASN A 529 4.007 -1.280 -7.669 1.00 23.31 C ATOM 1437 C ASN A 529 4.933 -2.416 -7.310 1.00 3.01 C ATOM 1438 O ASN A 529 5.128 -3.329 -8.092 1.00 54.02 O ATOM 1439 CB ASN A 529 4.820 -0.057 -8.128 1.00 22.33 C ATOM 1440 CG ASN A 529 5.627 -0.307 -9.402 1.00 51.52 C ATOM 1441 OD1 ASN A 529 6.768 -0.783 -9.357 1.00 34.20 O ATOM 1442 ND2 ASN A 529 5.061 0.027 -10.536 1.00 65.42 N ATOM 0 H ASN A 529 3.348 -0.036 -6.127 1.00 14.15 H new ATOM 0 HA ASN A 529 3.364 -1.585 -8.495 1.00 23.31 H new ATOM 0 HB2 ASN A 529 4.141 0.779 -8.295 1.00 22.33 H new ATOM 0 HB3 ASN A 529 5.499 0.239 -7.329 1.00 22.33 H new ATOM 0 HD21 ASN A 529 5.563 -0.103 -11.414 1.00 65.42 H new ATOM 0 HD22 ASN A 529 4.119 0.417 -10.540 1.00 65.42 H new ATOM 1449 N PHE A 530 5.441 -2.388 -6.091 1.00 22.03 N ATOM 1450 CA PHE A 530 6.371 -3.389 -5.632 1.00 71.34 C ATOM 1451 C PHE A 530 5.681 -4.745 -5.490 1.00 3.34 C ATOM 1452 O PHE A 530 6.246 -5.780 -5.862 1.00 13.02 O ATOM 1453 CB PHE A 530 7.035 -2.943 -4.319 1.00 21.43 C ATOM 1454 CG PHE A 530 8.162 -3.825 -3.845 1.00 62.40 C ATOM 1455 CD1 PHE A 530 9.418 -3.737 -4.429 1.00 24.03 C ATOM 1456 CD2 PHE A 530 7.974 -4.724 -2.810 1.00 13.44 C ATOM 1457 CE1 PHE A 530 10.462 -4.530 -3.988 1.00 0.20 C ATOM 1458 CE2 PHE A 530 9.012 -5.520 -2.369 1.00 63.44 C ATOM 1459 CZ PHE A 530 10.258 -5.423 -2.957 1.00 2.40 C ATOM 0 H PHE A 530 5.218 -1.672 -5.399 1.00 22.03 H new ATOM 0 HA PHE A 530 7.159 -3.504 -6.377 1.00 71.34 H new ATOM 0 HB2 PHE A 530 7.416 -1.930 -4.447 1.00 21.43 H new ATOM 0 HB3 PHE A 530 6.274 -2.901 -3.540 1.00 21.43 H new ATOM 0 HD1 PHE A 530 9.582 -3.041 -5.238 1.00 24.03 H new ATOM 0 HD2 PHE A 530 7.004 -4.804 -2.342 1.00 13.44 H new ATOM 0 HE1 PHE A 530 11.435 -4.450 -4.450 1.00 0.20 H new ATOM 0 HE2 PHE A 530 8.850 -6.220 -1.563 1.00 63.44 H new ATOM 0 HZ PHE A 530 11.070 -6.045 -2.610 1.00 2.40 H new ATOM 1469 N VAL A 531 4.447 -4.746 -5.008 1.00 63.13 N ATOM 1470 CA VAL A 531 3.729 -5.992 -4.846 1.00 35.03 C ATOM 1471 C VAL A 531 3.289 -6.540 -6.212 1.00 14.24 C ATOM 1472 O VAL A 531 3.392 -7.740 -6.473 1.00 11.12 O ATOM 1473 CB VAL A 531 2.521 -5.868 -3.868 1.00 41.03 C ATOM 1474 CG1 VAL A 531 1.771 -7.192 -3.746 1.00 21.40 C ATOM 1475 CG2 VAL A 531 3.000 -5.423 -2.492 1.00 4.13 C ATOM 0 H VAL A 531 3.933 -3.911 -4.728 1.00 63.13 H new ATOM 0 HA VAL A 531 4.418 -6.703 -4.390 1.00 35.03 H new ATOM 0 HB VAL A 531 1.839 -5.121 -4.274 1.00 41.03 H new ATOM 0 HG11 VAL A 531 0.934 -7.074 -3.057 1.00 21.40 H new ATOM 0 HG12 VAL A 531 1.396 -7.489 -4.725 1.00 21.40 H new ATOM 0 HG13 VAL A 531 2.447 -7.959 -3.368 1.00 21.40 H new ATOM 0 HG21 VAL A 531 2.147 -5.340 -1.819 1.00 4.13 H new ATOM 0 HG22 VAL A 531 3.704 -6.156 -2.097 1.00 4.13 H new ATOM 0 HG23 VAL A 531 3.493 -4.454 -2.574 1.00 4.13 H new ATOM 1485 N LEU A 532 2.884 -5.649 -7.107 1.00 42.23 N ATOM 1486 CA LEU A 532 2.415 -6.048 -8.433 1.00 52.04 C ATOM 1487 C LEU A 532 3.572 -6.454 -9.345 1.00 61.22 C ATOM 1488 O LEU A 532 3.377 -7.111 -10.371 1.00 24.21 O ATOM 1489 CB LEU A 532 1.564 -4.959 -9.090 1.00 12.12 C ATOM 1490 CG LEU A 532 0.248 -4.599 -8.381 1.00 11.43 C ATOM 1491 CD1 LEU A 532 -0.470 -3.498 -9.130 1.00 70.23 C ATOM 1492 CD2 LEU A 532 -0.656 -5.823 -8.244 1.00 13.31 C ATOM 0 H LEU A 532 2.870 -4.643 -6.941 1.00 42.23 H new ATOM 0 HA LEU A 532 1.780 -6.922 -8.288 1.00 52.04 H new ATOM 0 HB2 LEU A 532 2.168 -4.055 -9.169 1.00 12.12 H new ATOM 0 HB3 LEU A 532 1.329 -5.276 -10.106 1.00 12.12 H new ATOM 0 HG LEU A 532 0.491 -4.244 -7.380 1.00 11.43 H new ATOM 0 HD11 LEU A 532 -1.400 -3.254 -8.616 1.00 70.23 H new ATOM 0 HD12 LEU A 532 0.164 -2.613 -9.172 1.00 70.23 H new ATOM 0 HD13 LEU A 532 -0.693 -3.833 -10.143 1.00 70.23 H new ATOM 0 HD21 LEU A 532 -1.579 -5.539 -7.739 1.00 13.31 H new ATOM 0 HD22 LEU A 532 -0.890 -6.215 -9.234 1.00 13.31 H new ATOM 0 HD23 LEU A 532 -0.145 -6.589 -7.661 1.00 13.31 H new