USER MOD reduce.3.24.130724 H: found=0, std=0, add=672, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 667 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 481 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 482 SER OG : rot 180:sc=-0.00492 USER MOD Single : A 416 SER OG : rot 141:sc= -0.127 USER MOD Single : A 417 SER OG : rot 90:sc= 0.408 USER MOD Single : A 418 THR OG1 : rot 180:sc= 0 USER MOD Single : A 425 LYS NZ :NH3+ -170:sc= -0.533 (180deg=-0.768) USER MOD Single : A 426 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 432 ASN : amide:sc= -0.373 X(o=-0.37,f=-0.81) USER MOD Single : A 435 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 438 SER OG : rot 180:sc= 0 USER MOD Single : A 440 SER OG : rot 180:sc= 0 USER MOD Single : A 441 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 443 THR OG1 : rot -65:sc= 1.21 USER MOD Single : A 444 SER OG : rot 180:sc= 0 USER MOD Single : A 447 SER OG : rot -175:sc= -0.697 USER MOD Single : A 449 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 452 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 457 THR OG1 : rot 76:sc= 0.25 USER MOD Single : A 460 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 461 TYR OH : rot 180:sc= 0 USER MOD Single : A 464 SER OG : rot -59:sc= 0.166 USER MOD Single : A 466 SER OG : rot 180:sc= 0 USER MOD Single : A 470 SER OG : rot -50:sc= 0.0113 USER MOD Single : A 471 ASN :FLIP amide:sc= 0.295 F(o=-0.35,f=0.29) USER MOD Single : A 472 GLN : amide:sc= -0.151 K(o=-0.15,f=-1.1) USER MOD Single : A 474 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 475 GLN :FLIP amide:sc= -0.0519 F(o=-2,f=-0.052) USER MOD Single : A 479 ASN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 480 SER OG : rot 180:sc= 0 USER MOD Single : A 485 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 492 HIS : no HE2:sc= 0.284 K(o=0.28,f=-1) USER MOD Single : A 493 HIS : no HD1:sc= -0.11 X(o=-0.11,f=-0.078) USER MOD Single : A 494 HIS : no HD1:sc= -0.301 X(o=-0.3,f=-0.13) USER MOD Single : A 495 HIS : no HD1:sc= -0.151 X(o=-0.15,f=-0.045) USER MOD Single : A 496 HIS : no HD1:sc= -0.131 X(o=-0.13,f=0) USER MOD Single : A 497 HIS : no HD1:sc= 0 X(o=0,f=-0.001) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 414 -15.920 -2.279 -6.036 1.00 31.22 N ATOM 2 CA GLU A 414 -16.578 -1.914 -4.787 1.00 33.00 C ATOM 3 C GLU A 414 -16.211 -0.493 -4.373 1.00 45.34 C ATOM 4 O GLU A 414 -15.317 0.122 -4.953 1.00 63.33 O ATOM 5 CB GLU A 414 -16.195 -2.896 -3.678 1.00 43.50 C ATOM 6 CG GLU A 414 -17.375 -3.670 -3.115 1.00 70.51 C ATOM 7 CD GLU A 414 -17.504 -3.528 -1.611 1.00 21.41 C ATOM 8 OE1 GLU A 414 -16.535 -3.864 -0.899 1.00 61.10 O ATOM 9 OE2 GLU A 414 -18.574 -3.082 -1.147 1.00 13.21 O ATOM 0 HA GLU A 414 -17.655 -1.959 -4.947 1.00 33.00 H new ATOM 0 HB2 GLU A 414 -15.461 -3.602 -4.067 1.00 43.50 H new ATOM 0 HB3 GLU A 414 -15.712 -2.347 -2.869 1.00 43.50 H new ATOM 0 HG2 GLU A 414 -18.293 -3.321 -3.589 1.00 70.51 H new ATOM 0 HG3 GLU A 414 -17.267 -4.725 -3.368 1.00 70.51 H new ATOM 16 N ALA A 415 -16.908 0.023 -3.367 1.00 55.33 N ATOM 17 CA ALA A 415 -16.656 1.371 -2.874 1.00 10.42 C ATOM 18 C ALA A 415 -15.416 1.408 -1.986 1.00 25.14 C ATOM 19 O ALA A 415 -14.981 2.476 -1.554 1.00 33.31 O ATOM 20 CB ALA A 415 -17.866 1.891 -2.113 1.00 53.10 C ATOM 0 H ALA A 415 -17.653 -0.473 -2.877 1.00 55.33 H new ATOM 0 HA ALA A 415 -16.476 2.017 -3.734 1.00 10.42 H new ATOM 0 HB1 ALA A 415 -17.663 2.899 -1.751 1.00 53.10 H new ATOM 0 HB2 ALA A 415 -18.731 1.911 -2.775 1.00 53.10 H new ATOM 0 HB3 ALA A 415 -18.072 1.236 -1.266 1.00 53.10 H new ATOM 26 N SER A 416 -14.851 0.235 -1.718 1.00 42.42 N ATOM 27 CA SER A 416 -13.662 0.133 -0.879 1.00 55.54 C ATOM 28 C SER A 416 -12.397 0.368 -1.697 1.00 61.31 C ATOM 29 O SER A 416 -11.351 0.723 -1.155 1.00 51.01 O ATOM 30 CB SER A 416 -13.603 -1.242 -0.209 1.00 45.11 C ATOM 31 OG SER A 416 -14.793 -1.974 -0.442 1.00 14.32 O ATOM 0 H SER A 416 -15.197 -0.658 -2.069 1.00 42.42 H new ATOM 0 HA SER A 416 -13.723 0.903 -0.110 1.00 55.54 H new ATOM 0 HB2 SER A 416 -12.748 -1.800 -0.591 1.00 45.11 H new ATOM 0 HB3 SER A 416 -13.451 -1.121 0.864 1.00 45.11 H new ATOM 0 HG SER A 416 -14.572 -2.915 -0.602 1.00 14.32 H new ATOM 37 N SER A 417 -12.501 0.167 -3.008 1.00 55.45 N ATOM 38 CA SER A 417 -11.365 0.354 -3.901 1.00 63.23 C ATOM 39 C SER A 417 -10.883 1.801 -3.874 1.00 32.12 C ATOM 40 O SER A 417 -9.691 2.076 -4.021 1.00 34.55 O ATOM 41 CB SER A 417 -11.743 -0.042 -5.330 1.00 72.50 C ATOM 42 OG SER A 417 -12.611 -1.162 -5.336 1.00 53.03 O ATOM 0 H SER A 417 -13.360 -0.125 -3.474 1.00 55.45 H new ATOM 0 HA SER A 417 -10.554 -0.287 -3.555 1.00 63.23 H new ATOM 0 HB2 SER A 417 -12.226 0.799 -5.828 1.00 72.50 H new ATOM 0 HB3 SER A 417 -10.841 -0.274 -5.897 1.00 72.50 H new ATOM 0 HG SER A 417 -13.541 -0.855 -5.295 1.00 53.03 H new ATOM 48 N THR A 418 -11.819 2.726 -3.683 1.00 65.40 N ATOM 49 CA THR A 418 -11.492 4.146 -3.637 1.00 41.30 C ATOM 50 C THR A 418 -10.872 4.524 -2.296 1.00 74.23 C ATOM 51 O THR A 418 -10.077 5.459 -2.211 1.00 53.44 O ATOM 52 CB THR A 418 -12.738 5.018 -3.878 1.00 11.20 C ATOM 53 OG1 THR A 418 -13.369 4.643 -5.106 1.00 33.54 O ATOM 54 CG2 THR A 418 -12.367 6.493 -3.922 1.00 34.43 C ATOM 0 H THR A 418 -12.809 2.517 -3.558 1.00 65.40 H new ATOM 0 HA THR A 418 -10.770 4.330 -4.433 1.00 41.30 H new ATOM 0 HB THR A 418 -13.430 4.859 -3.051 1.00 11.20 H new ATOM 0 HG1 THR A 418 -14.161 5.201 -5.250 1.00 33.54 H new ATOM 0 HG21 THR A 418 -13.264 7.089 -4.093 1.00 34.43 H new ATOM 0 HG22 THR A 418 -11.914 6.783 -2.974 1.00 34.43 H new ATOM 0 HG23 THR A 418 -11.657 6.666 -4.731 1.00 34.43 H new ATOM 62 N ALA A 419 -11.240 3.789 -1.251 1.00 62.42 N ATOM 63 CA ALA A 419 -10.717 4.046 0.085 1.00 74.44 C ATOM 64 C ALA A 419 -9.240 3.682 0.177 1.00 23.41 C ATOM 65 O ALA A 419 -8.494 4.268 0.961 1.00 64.20 O ATOM 66 CB ALA A 419 -11.519 3.274 1.122 1.00 73.32 C ATOM 0 H ALA A 419 -11.898 3.011 -1.304 1.00 62.42 H new ATOM 0 HA ALA A 419 -10.813 5.113 0.287 1.00 74.44 H new ATOM 0 HB1 ALA A 419 -11.118 3.475 2.115 1.00 73.32 H new ATOM 0 HB2 ALA A 419 -12.562 3.587 1.082 1.00 73.32 H new ATOM 0 HB3 ALA A 419 -11.452 2.206 0.913 1.00 73.32 H new ATOM 72 N ILE A 420 -8.825 2.710 -0.629 1.00 45.11 N ATOM 73 CA ILE A 420 -7.435 2.269 -0.638 1.00 33.54 C ATOM 74 C ILE A 420 -6.612 3.065 -1.645 1.00 35.54 C ATOM 75 O ILE A 420 -5.384 3.084 -1.580 1.00 25.32 O ATOM 76 CB ILE A 420 -7.324 0.769 -0.973 1.00 43.12 C ATOM 77 CG1 ILE A 420 -8.281 -0.043 -0.098 1.00 73.21 C ATOM 78 CG2 ILE A 420 -5.892 0.290 -0.786 1.00 64.31 C ATOM 79 CD1 ILE A 420 -7.952 0.018 1.377 1.00 34.22 C ATOM 0 H ILE A 420 -9.430 2.214 -1.283 1.00 45.11 H new ATOM 0 HA ILE A 420 -7.042 2.440 0.364 1.00 33.54 H new ATOM 0 HB ILE A 420 -7.603 0.623 -2.017 1.00 43.12 H new ATOM 0 HG12 ILE A 420 -9.297 0.321 -0.250 1.00 73.21 H new ATOM 0 HG13 ILE A 420 -8.263 -1.083 -0.423 1.00 73.21 H new ATOM 0 HG21 ILE A 420 -5.829 -0.771 -1.026 1.00 64.31 H new ATOM 0 HG22 ILE A 420 -5.231 0.851 -1.447 1.00 64.31 H new ATOM 0 HG23 ILE A 420 -5.588 0.446 0.249 1.00 64.31 H new ATOM 0 HD11 ILE A 420 -8.672 -0.580 1.935 1.00 34.22 H new ATOM 0 HD12 ILE A 420 -6.948 -0.374 1.542 1.00 34.22 H new ATOM 0 HD13 ILE A 420 -7.998 1.052 1.718 1.00 34.22 H new ATOM 91 N ARG A 421 -7.298 3.721 -2.575 1.00 43.52 N ATOM 92 CA ARG A 421 -6.630 4.520 -3.595 1.00 74.42 C ATOM 93 C ARG A 421 -5.650 5.503 -2.962 1.00 53.41 C ATOM 94 O ARG A 421 -4.572 5.752 -3.499 1.00 51.04 O ATOM 95 CB ARG A 421 -7.661 5.279 -4.434 1.00 71.01 C ATOM 96 CG ARG A 421 -7.043 6.261 -5.416 1.00 31.32 C ATOM 97 CD ARG A 421 -8.033 6.666 -6.497 1.00 13.01 C ATOM 98 NE ARG A 421 -8.332 8.095 -6.457 1.00 51.40 N ATOM 99 CZ ARG A 421 -8.869 8.762 -7.472 1.00 45.40 C ATOM 100 NH1 ARG A 421 -9.165 8.133 -8.601 1.00 4.11 N ATOM 101 NH2 ARG A 421 -9.111 10.062 -7.360 1.00 51.34 N ATOM 0 H ARG A 421 -8.316 3.715 -2.643 1.00 43.52 H new ATOM 0 HA ARG A 421 -6.071 3.844 -4.242 1.00 74.42 H new ATOM 0 HB2 ARG A 421 -8.268 4.561 -4.985 1.00 71.01 H new ATOM 0 HB3 ARG A 421 -8.333 5.819 -3.767 1.00 71.01 H new ATOM 0 HG2 ARG A 421 -6.704 7.148 -4.881 1.00 31.32 H new ATOM 0 HG3 ARG A 421 -6.163 5.811 -5.877 1.00 31.32 H new ATOM 0 HD2 ARG A 421 -7.628 6.408 -7.475 1.00 13.01 H new ATOM 0 HD3 ARG A 421 -8.956 6.099 -6.375 1.00 13.01 H new ATOM 0 HE ARG A 421 -8.117 8.609 -5.603 1.00 51.40 H new ATOM 0 HH11 ARG A 421 -8.980 7.134 -8.692 1.00 4.11 H new ATOM 0 HH12 ARG A 421 -9.577 8.648 -9.379 1.00 4.11 H new ATOM 0 HH21 ARG A 421 -8.884 10.550 -6.494 1.00 51.34 H new ATOM 0 HH22 ARG A 421 -9.523 10.573 -8.140 1.00 51.34 H new ATOM 115 N ALA A 422 -6.034 6.058 -1.818 1.00 12.54 N ATOM 116 CA ALA A 422 -5.189 7.011 -1.109 1.00 65.51 C ATOM 117 C ALA A 422 -4.178 6.295 -0.220 1.00 73.14 C ATOM 118 O ALA A 422 -3.092 6.813 0.044 1.00 41.24 O ATOM 119 CB ALA A 422 -6.043 7.961 -0.283 1.00 44.31 C ATOM 0 H ALA A 422 -6.925 5.864 -1.362 1.00 12.54 H new ATOM 0 HA ALA A 422 -4.636 7.588 -1.849 1.00 65.51 H new ATOM 0 HB1 ALA A 422 -5.399 8.667 0.241 1.00 44.31 H new ATOM 0 HB2 ALA A 422 -6.720 8.506 -0.940 1.00 44.31 H new ATOM 0 HB3 ALA A 422 -6.623 7.391 0.443 1.00 44.31 H new ATOM 125 N LEU A 423 -4.542 5.103 0.239 1.00 42.01 N ATOM 126 CA LEU A 423 -3.666 4.315 1.100 1.00 3.21 C ATOM 127 C LEU A 423 -2.317 4.074 0.430 1.00 42.15 C ATOM 128 O LEU A 423 -1.269 4.402 0.987 1.00 64.40 O ATOM 129 CB LEU A 423 -4.324 2.978 1.443 1.00 30.42 C ATOM 130 CG LEU A 423 -4.947 2.873 2.836 1.00 62.32 C ATOM 131 CD1 LEU A 423 -3.865 2.735 3.895 1.00 75.11 C ATOM 132 CD2 LEU A 423 -5.822 4.085 3.120 1.00 73.14 C ATOM 0 H LEU A 423 -5.437 4.661 0.030 1.00 42.01 H new ATOM 0 HA LEU A 423 -3.499 4.877 2.019 1.00 3.21 H new ATOM 0 HB2 LEU A 423 -5.100 2.778 0.704 1.00 30.42 H new ATOM 0 HB3 LEU A 423 -3.576 2.191 1.341 1.00 30.42 H new ATOM 0 HG LEU A 423 -5.573 1.981 2.868 1.00 62.32 H new ATOM 0 HD11 LEU A 423 -4.327 2.662 4.880 1.00 75.11 H new ATOM 0 HD12 LEU A 423 -3.279 1.837 3.701 1.00 75.11 H new ATOM 0 HD13 LEU A 423 -3.213 3.608 3.864 1.00 75.11 H new ATOM 0 HD21 LEU A 423 -6.257 3.994 4.115 1.00 73.14 H new ATOM 0 HD22 LEU A 423 -5.217 4.990 3.070 1.00 73.14 H new ATOM 0 HD23 LEU A 423 -6.619 4.140 2.379 1.00 73.14 H new ATOM 144 N VAL A 424 -2.351 3.502 -0.769 1.00 42.13 N ATOM 145 CA VAL A 424 -1.131 3.221 -1.517 1.00 15.11 C ATOM 146 C VAL A 424 -0.312 4.489 -1.729 1.00 71.32 C ATOM 147 O VAL A 424 0.898 4.430 -1.950 1.00 71.21 O ATOM 148 CB VAL A 424 -1.446 2.591 -2.887 1.00 30.54 C ATOM 149 CG1 VAL A 424 -0.167 2.369 -3.679 1.00 25.33 C ATOM 150 CG2 VAL A 424 -2.207 1.286 -2.711 1.00 10.21 C ATOM 0 H VAL A 424 -3.210 3.224 -1.243 1.00 42.13 H new ATOM 0 HA VAL A 424 -0.552 2.513 -0.924 1.00 15.11 H new ATOM 0 HB VAL A 424 -2.077 3.280 -3.448 1.00 30.54 H new ATOM 0 HG11 VAL A 424 -0.409 1.923 -4.644 1.00 25.33 H new ATOM 0 HG12 VAL A 424 0.334 3.324 -3.836 1.00 25.33 H new ATOM 0 HG13 VAL A 424 0.492 1.700 -3.126 1.00 25.33 H new ATOM 0 HG21 VAL A 424 -2.421 0.855 -3.689 1.00 10.21 H new ATOM 0 HG22 VAL A 424 -1.603 0.588 -2.131 1.00 10.21 H new ATOM 0 HG23 VAL A 424 -3.143 1.478 -2.187 1.00 10.21 H new ATOM 160 N LYS A 425 -0.978 5.635 -1.660 1.00 43.52 N ATOM 161 CA LYS A 425 -0.312 6.921 -1.841 1.00 74.21 C ATOM 162 C LYS A 425 0.670 7.190 -0.706 1.00 20.42 C ATOM 163 O LYS A 425 1.544 8.049 -0.819 1.00 45.11 O ATOM 164 CB LYS A 425 -1.345 8.047 -1.915 1.00 40.00 C ATOM 165 CG LYS A 425 -0.975 9.148 -2.895 1.00 54.33 C ATOM 166 CD LYS A 425 0.101 10.059 -2.330 1.00 71.34 C ATOM 167 CE LYS A 425 -0.197 11.522 -2.623 1.00 24.41 C ATOM 168 NZ LYS A 425 0.996 12.385 -2.404 1.00 53.32 N ATOM 0 H LYS A 425 -1.980 5.701 -1.480 1.00 43.52 H new ATOM 0 HA LYS A 425 0.245 6.885 -2.777 1.00 74.21 H new ATOM 0 HB2 LYS A 425 -2.309 7.626 -2.201 1.00 40.00 H new ATOM 0 HB3 LYS A 425 -1.468 8.481 -0.923 1.00 40.00 H new ATOM 0 HG2 LYS A 425 -0.625 8.704 -3.827 1.00 54.33 H new ATOM 0 HG3 LYS A 425 -1.861 9.736 -3.135 1.00 54.33 H new ATOM 0 HD2 LYS A 425 0.176 9.911 -1.253 1.00 71.34 H new ATOM 0 HD3 LYS A 425 1.067 9.791 -2.757 1.00 71.34 H new ATOM 0 HE2 LYS A 425 -0.535 11.624 -3.654 1.00 24.41 H new ATOM 0 HE3 LYS A 425 -1.013 11.861 -1.985 1.00 24.41 H new ATOM 0 HZ1 LYS A 425 0.714 13.385 -2.448 1.00 53.32 H new ATOM 0 HZ2 LYS A 425 1.405 12.181 -1.470 1.00 53.32 H new ATOM 0 HZ3 LYS A 425 1.704 12.192 -3.141 1.00 53.32 H new ATOM 182 N LYS A 426 0.522 6.449 0.387 1.00 55.20 N ATOM 183 CA LYS A 426 1.397 6.606 1.542 1.00 61.00 C ATOM 184 C LYS A 426 2.553 5.611 1.488 1.00 64.15 C ATOM 185 O LYS A 426 3.684 5.938 1.851 1.00 53.55 O ATOM 186 CB LYS A 426 0.605 6.412 2.838 1.00 65.24 C ATOM 187 CG LYS A 426 0.292 7.712 3.559 1.00 23.30 C ATOM 188 CD LYS A 426 -0.351 7.458 4.912 1.00 41.01 C ATOM 189 CE LYS A 426 -1.300 8.582 5.298 1.00 5.00 C ATOM 190 NZ LYS A 426 -2.106 8.239 6.502 1.00 41.13 N ATOM 0 H LYS A 426 -0.196 5.733 0.497 1.00 55.20 H new ATOM 0 HA LYS A 426 1.807 7.616 1.521 1.00 61.00 H new ATOM 0 HB2 LYS A 426 -0.329 5.899 2.610 1.00 65.24 H new ATOM 0 HB3 LYS A 426 1.171 5.763 3.506 1.00 65.24 H new ATOM 0 HG2 LYS A 426 1.210 8.285 3.693 1.00 23.30 H new ATOM 0 HG3 LYS A 426 -0.375 8.318 2.946 1.00 23.30 H new ATOM 0 HD2 LYS A 426 -0.895 6.514 4.886 1.00 41.01 H new ATOM 0 HD3 LYS A 426 0.424 7.358 5.672 1.00 41.01 H new ATOM 0 HE2 LYS A 426 -0.728 9.490 5.490 1.00 5.00 H new ATOM 0 HE3 LYS A 426 -1.967 8.796 4.463 1.00 5.00 H new ATOM 0 HZ1 LYS A 426 -2.740 9.031 6.732 1.00 41.13 H new ATOM 0 HZ2 LYS A 426 -2.671 7.387 6.310 1.00 41.13 H new ATOM 0 HZ3 LYS A 426 -1.471 8.059 7.305 1.00 41.13 H new ATOM 204 N LEU A 427 2.263 4.399 1.030 1.00 14.52 N ATOM 205 CA LEU A 427 3.279 3.358 0.927 1.00 33.23 C ATOM 206 C LEU A 427 4.089 3.513 -0.357 1.00 41.40 C ATOM 207 O LEU A 427 5.190 2.975 -0.476 1.00 72.33 O ATOM 208 CB LEU A 427 2.626 1.974 0.967 1.00 52.22 C ATOM 209 CG LEU A 427 1.749 1.682 2.184 1.00 11.20 C ATOM 210 CD1 LEU A 427 2.369 2.268 3.443 1.00 71.14 C ATOM 211 CD2 LEU A 427 0.345 2.230 1.974 1.00 43.42 C ATOM 0 H LEU A 427 1.333 4.113 0.724 1.00 14.52 H new ATOM 0 HA LEU A 427 3.955 3.459 1.776 1.00 33.23 H new ATOM 0 HB2 LEU A 427 2.019 1.854 0.070 1.00 52.22 H new ATOM 0 HB3 LEU A 427 3.413 1.221 0.922 1.00 52.22 H new ATOM 0 HG LEU A 427 1.681 0.601 2.307 1.00 11.20 H new ATOM 0 HD11 LEU A 427 1.730 2.050 4.299 1.00 71.14 H new ATOM 0 HD12 LEU A 427 3.353 1.827 3.603 1.00 71.14 H new ATOM 0 HD13 LEU A 427 2.469 3.348 3.331 1.00 71.14 H new ATOM 0 HD21 LEU A 427 -0.265 2.013 2.851 1.00 43.42 H new ATOM 0 HD22 LEU A 427 0.394 3.309 1.824 1.00 43.42 H new ATOM 0 HD23 LEU A 427 -0.101 1.762 1.096 1.00 43.42 H new ATOM 223 N ILE A 428 3.537 4.253 -1.312 1.00 62.30 N ATOM 224 CA ILE A 428 4.210 4.481 -2.585 1.00 51.25 C ATOM 225 C ILE A 428 5.587 5.100 -2.375 1.00 1.42 C ATOM 226 O ILE A 428 6.506 4.876 -3.162 1.00 64.43 O ATOM 227 CB ILE A 428 3.381 5.400 -3.502 1.00 63.53 C ATOM 228 CG1 ILE A 428 2.507 4.566 -4.441 1.00 41.41 C ATOM 229 CG2 ILE A 428 4.296 6.319 -4.298 1.00 23.12 C ATOM 230 CD1 ILE A 428 3.295 3.812 -5.490 1.00 42.01 C ATOM 0 H ILE A 428 2.626 4.705 -1.229 1.00 62.30 H new ATOM 0 HA ILE A 428 4.321 3.508 -3.063 1.00 51.25 H new ATOM 0 HB ILE A 428 2.730 6.016 -2.882 1.00 63.53 H new ATOM 0 HG12 ILE A 428 1.930 3.854 -3.851 1.00 41.41 H new ATOM 0 HG13 ILE A 428 1.792 5.222 -4.937 1.00 41.41 H new ATOM 0 HG21 ILE A 428 3.695 6.962 -4.941 1.00 23.12 H new ATOM 0 HG22 ILE A 428 4.879 6.934 -3.613 1.00 23.12 H new ATOM 0 HG23 ILE A 428 4.969 5.720 -4.911 1.00 23.12 H new ATOM 0 HD11 ILE A 428 2.611 3.243 -6.120 1.00 42.01 H new ATOM 0 HD12 ILE A 428 3.851 4.519 -6.105 1.00 42.01 H new ATOM 0 HD13 ILE A 428 3.991 3.130 -5.002 1.00 42.01 H new ATOM 242 N ALA A 429 5.724 5.878 -1.305 1.00 23.32 N ATOM 243 CA ALA A 429 6.991 6.525 -0.990 1.00 41.41 C ATOM 244 C ALA A 429 8.142 5.526 -1.016 1.00 35.45 C ATOM 245 O ALA A 429 9.283 5.884 -1.303 1.00 51.42 O ATOM 246 CB ALA A 429 6.912 7.204 0.370 1.00 42.43 C ATOM 0 H ALA A 429 4.973 6.075 -0.643 1.00 23.32 H new ATOM 0 HA ALA A 429 7.183 7.280 -1.753 1.00 41.41 H new ATOM 0 HB1 ALA A 429 7.865 7.683 0.593 1.00 42.43 H new ATOM 0 HB2 ALA A 429 6.122 7.955 0.356 1.00 42.43 H new ATOM 0 HB3 ALA A 429 6.692 6.460 1.136 1.00 42.43 H new ATOM 252 N ALA A 430 7.833 4.268 -0.716 1.00 34.02 N ATOM 253 CA ALA A 430 8.841 3.214 -0.707 1.00 64.32 C ATOM 254 C ALA A 430 8.364 1.992 -1.484 1.00 13.23 C ATOM 255 O ALA A 430 8.259 0.897 -0.932 1.00 70.02 O ATOM 256 CB ALA A 430 9.191 2.831 0.723 1.00 34.21 C ATOM 0 H ALA A 430 6.893 3.954 -0.476 1.00 34.02 H new ATOM 0 HA ALA A 430 9.736 3.596 -1.198 1.00 64.32 H new ATOM 0 HB1 ALA A 430 9.944 2.043 0.715 1.00 34.21 H new ATOM 0 HB2 ALA A 430 9.583 3.702 1.248 1.00 34.21 H new ATOM 0 HB3 ALA A 430 8.297 2.472 1.233 1.00 34.21 H new ATOM 262 N GLU A 431 8.078 2.187 -2.767 1.00 33.33 N ATOM 263 CA GLU A 431 7.611 1.099 -3.619 1.00 30.24 C ATOM 264 C GLU A 431 8.787 0.306 -4.183 1.00 62.13 C ATOM 265 O GLU A 431 9.913 0.798 -4.232 1.00 65.32 O ATOM 266 CB GLU A 431 6.755 1.647 -4.763 1.00 13.32 C ATOM 267 CG GLU A 431 7.564 2.317 -5.861 1.00 10.32 C ATOM 268 CD GLU A 431 7.970 1.352 -6.957 1.00 2.15 C ATOM 269 OE1 GLU A 431 7.189 0.421 -7.247 1.00 51.03 O ATOM 270 OE2 GLU A 431 9.068 1.525 -7.525 1.00 64.02 O ATOM 0 H GLU A 431 8.161 3.087 -3.239 1.00 33.33 H new ATOM 0 HA GLU A 431 7.003 0.430 -3.009 1.00 30.24 H new ATOM 0 HB2 GLU A 431 6.176 0.831 -5.196 1.00 13.32 H new ATOM 0 HB3 GLU A 431 6.041 2.365 -4.360 1.00 13.32 H new ATOM 0 HG2 GLU A 431 6.979 3.128 -6.295 1.00 10.32 H new ATOM 0 HG3 GLU A 431 8.458 2.765 -5.427 1.00 10.32 H new ATOM 277 N ASN A 432 8.515 -0.924 -4.608 1.00 55.54 N ATOM 278 CA ASN A 432 9.549 -1.785 -5.168 1.00 21.21 C ATOM 279 C ASN A 432 10.751 -1.872 -4.231 1.00 53.21 C ATOM 280 O ASN A 432 11.778 -1.224 -4.436 1.00 33.42 O ATOM 281 CB ASN A 432 9.992 -1.262 -6.536 1.00 60.05 C ATOM 282 CG ASN A 432 11.208 -1.995 -7.069 1.00 20.13 C ATOM 283 OD1 ASN A 432 12.325 -1.480 -7.025 1.00 42.41 O ATOM 284 ND2 ASN A 432 10.995 -3.203 -7.578 1.00 12.32 N ATOM 0 H ASN A 432 7.587 -1.346 -4.575 1.00 55.54 H new ATOM 0 HA ASN A 432 9.130 -2.784 -5.287 1.00 21.21 H new ATOM 0 HB2 ASN A 432 9.170 -1.364 -7.245 1.00 60.05 H new ATOM 0 HB3 ASN A 432 10.217 -0.198 -6.460 1.00 60.05 H new ATOM 0 HD21 ASN A 432 11.775 -3.743 -7.953 1.00 12.32 H new ATOM 0 HD22 ASN A 432 10.052 -3.591 -7.594 1.00 12.32 H new ATOM 291 N PRO A 433 10.622 -2.692 -3.178 1.00 55.03 N ATOM 292 CA PRO A 433 11.687 -2.884 -2.189 1.00 73.40 C ATOM 293 C PRO A 433 12.877 -3.646 -2.761 1.00 5.15 C ATOM 294 O PRO A 433 13.865 -3.885 -2.066 1.00 44.15 O ATOM 295 CB PRO A 433 11.006 -3.703 -1.089 1.00 72.34 C ATOM 296 CG PRO A 433 9.897 -4.417 -1.780 1.00 73.42 C ATOM 297 CD PRO A 433 9.426 -3.496 -2.871 1.00 45.34 C ATOM 0 HA PRO A 433 12.097 -1.936 -1.841 1.00 73.40 H new ATOM 0 HB2 PRO A 433 11.702 -4.404 -0.629 1.00 72.34 H new ATOM 0 HB3 PRO A 433 10.628 -3.061 -0.294 1.00 72.34 H new ATOM 0 HG2 PRO A 433 10.241 -5.366 -2.192 1.00 73.42 H new ATOM 0 HG3 PRO A 433 9.088 -4.645 -1.086 1.00 73.42 H new ATOM 0 HD2 PRO A 433 9.080 -4.050 -3.743 1.00 45.34 H new ATOM 0 HD3 PRO A 433 8.596 -2.872 -2.540 1.00 45.34 H new ATOM 305 N ALA A 434 12.777 -4.027 -4.030 1.00 61.35 N ATOM 306 CA ALA A 434 13.847 -4.760 -4.695 1.00 41.22 C ATOM 307 C ALA A 434 15.187 -4.056 -4.516 1.00 24.43 C ATOM 308 O ALA A 434 16.082 -4.563 -3.838 1.00 73.12 O ATOM 309 CB ALA A 434 13.530 -4.929 -6.174 1.00 40.11 C ATOM 0 H ALA A 434 11.965 -3.840 -4.619 1.00 61.35 H new ATOM 0 HA ALA A 434 13.920 -5.746 -4.235 1.00 41.22 H new ATOM 0 HB1 ALA A 434 14.337 -5.478 -6.659 1.00 40.11 H new ATOM 0 HB2 ALA A 434 12.597 -5.482 -6.285 1.00 40.11 H new ATOM 0 HB3 ALA A 434 13.428 -3.948 -6.639 1.00 40.11 H new ATOM 315 N LYS A 435 15.323 -2.884 -5.129 1.00 73.52 N ATOM 316 CA LYS A 435 16.554 -2.110 -5.038 1.00 70.42 C ATOM 317 C LYS A 435 16.675 -1.439 -3.673 1.00 4.11 C ATOM 318 O LYS A 435 17.608 -1.692 -2.911 1.00 71.02 O ATOM 319 CB LYS A 435 16.600 -1.052 -6.144 1.00 55.01 C ATOM 320 CG LYS A 435 17.558 -1.392 -7.271 1.00 34.32 C ATOM 321 CD LYS A 435 18.988 -1.011 -6.922 1.00 75.12 C ATOM 322 CE LYS A 435 19.966 -2.113 -7.296 1.00 30.11 C ATOM 323 NZ LYS A 435 21.380 -1.657 -7.199 1.00 74.35 N ATOM 0 H LYS A 435 14.594 -2.450 -5.695 1.00 73.52 H new ATOM 0 HA LYS A 435 17.393 -2.794 -5.163 1.00 70.42 H new ATOM 0 HB2 LYS A 435 15.599 -0.925 -6.556 1.00 55.01 H new ATOM 0 HB3 LYS A 435 16.889 -0.096 -5.709 1.00 55.01 H new ATOM 0 HG2 LYS A 435 17.507 -2.460 -7.484 1.00 34.32 H new ATOM 0 HG3 LYS A 435 17.253 -0.871 -8.179 1.00 34.32 H new ATOM 0 HD2 LYS A 435 19.258 -0.092 -7.442 1.00 75.12 H new ATOM 0 HD3 LYS A 435 19.061 -0.806 -5.854 1.00 75.12 H new ATOM 0 HE2 LYS A 435 19.815 -2.970 -6.640 1.00 30.11 H new ATOM 0 HE3 LYS A 435 19.762 -2.450 -8.312 1.00 30.11 H new ATOM 0 HZ1 LYS A 435 22.015 -2.437 -7.462 1.00 74.35 H new ATOM 0 HZ2 LYS A 435 21.531 -0.855 -7.844 1.00 74.35 H new ATOM 0 HZ3 LYS A 435 21.583 -1.360 -6.223 1.00 74.35 H new ATOM 337 N PRO A 436 15.709 -0.564 -3.356 1.00 11.45 N ATOM 338 CA PRO A 436 15.685 0.159 -2.081 1.00 53.40 C ATOM 339 C PRO A 436 15.379 -0.757 -0.901 1.00 51.32 C ATOM 340 O PRO A 436 15.166 -1.957 -1.073 1.00 12.23 O ATOM 341 CB PRO A 436 14.559 1.179 -2.272 1.00 25.32 C ATOM 342 CG PRO A 436 13.668 0.570 -3.299 1.00 72.41 C ATOM 343 CD PRO A 436 14.567 -0.214 -4.216 1.00 2.20 C ATOM 0 HA PRO A 436 16.651 0.608 -1.849 1.00 53.40 H new ATOM 0 HB2 PRO A 436 14.024 1.358 -1.339 1.00 25.32 H new ATOM 0 HB3 PRO A 436 14.948 2.141 -2.606 1.00 25.32 H new ATOM 0 HG2 PRO A 436 12.924 -0.077 -2.835 1.00 72.41 H new ATOM 0 HG3 PRO A 436 13.124 1.338 -3.849 1.00 72.41 H new ATOM 0 HD2 PRO A 436 14.069 -1.103 -4.604 1.00 2.20 H new ATOM 0 HD3 PRO A 436 14.878 0.378 -5.076 1.00 2.20 H new ATOM 351 N LEU A 437 15.359 -0.183 0.298 1.00 71.03 N ATOM 352 CA LEU A 437 15.078 -0.948 1.508 1.00 60.31 C ATOM 353 C LEU A 437 13.832 -1.810 1.330 1.00 11.41 C ATOM 354 O LEU A 437 13.055 -1.610 0.395 1.00 11.44 O ATOM 355 CB LEU A 437 14.895 -0.007 2.699 1.00 2.30 C ATOM 356 CG LEU A 437 15.673 -0.367 3.965 1.00 3.22 C ATOM 357 CD1 LEU A 437 16.946 0.459 4.063 1.00 22.24 C ATOM 358 CD2 LEU A 437 14.807 -0.164 5.200 1.00 65.13 C ATOM 0 H LEU A 437 15.534 0.809 0.458 1.00 71.03 H new ATOM 0 HA LEU A 437 15.927 -1.604 1.699 1.00 60.31 H new ATOM 0 HB2 LEU A 437 15.186 0.997 2.391 1.00 2.30 H new ATOM 0 HB3 LEU A 437 13.834 0.031 2.947 1.00 2.30 H new ATOM 0 HG LEU A 437 15.951 -1.420 3.910 1.00 3.22 H new ATOM 0 HD11 LEU A 437 17.486 0.189 4.970 1.00 22.24 H new ATOM 0 HD12 LEU A 437 17.575 0.263 3.194 1.00 22.24 H new ATOM 0 HD13 LEU A 437 16.691 1.518 4.095 1.00 22.24 H new ATOM 0 HD21 LEU A 437 15.377 -0.425 6.091 1.00 65.13 H new ATOM 0 HD22 LEU A 437 14.498 0.879 5.260 1.00 65.13 H new ATOM 0 HD23 LEU A 437 13.925 -0.801 5.134 1.00 65.13 H new ATOM 370 N SER A 438 13.646 -2.765 2.234 1.00 15.15 N ATOM 371 CA SER A 438 12.495 -3.659 2.176 1.00 54.31 C ATOM 372 C SER A 438 11.204 -2.901 2.471 1.00 44.12 C ATOM 373 O SER A 438 11.231 -1.745 2.893 1.00 4.55 O ATOM 374 CB SER A 438 12.663 -4.807 3.174 1.00 32.21 C ATOM 375 OG SER A 438 12.766 -6.052 2.504 1.00 13.55 O ATOM 0 H SER A 438 14.277 -2.940 3.016 1.00 15.15 H new ATOM 0 HA SER A 438 12.435 -4.069 1.168 1.00 54.31 H new ATOM 0 HB2 SER A 438 13.555 -4.640 3.778 1.00 32.21 H new ATOM 0 HB3 SER A 438 11.814 -4.827 3.857 1.00 32.21 H new ATOM 0 HG SER A 438 12.874 -6.770 3.162 1.00 13.55 H new ATOM 381 N ASP A 439 10.073 -3.561 2.243 1.00 70.02 N ATOM 382 CA ASP A 439 8.771 -2.951 2.484 1.00 62.13 C ATOM 383 C ASP A 439 8.352 -3.120 3.940 1.00 1.42 C ATOM 384 O ASP A 439 7.192 -2.909 4.292 1.00 35.03 O ATOM 385 CB ASP A 439 7.717 -3.568 1.562 1.00 1.32 C ATOM 386 CG ASP A 439 7.837 -5.077 1.474 1.00 42.32 C ATOM 387 OD1 ASP A 439 8.203 -5.703 2.490 1.00 13.23 O ATOM 388 OD2 ASP A 439 7.566 -5.630 0.388 1.00 42.14 O ATOM 0 H ASP A 439 10.032 -4.518 1.892 1.00 70.02 H new ATOM 0 HA ASP A 439 8.852 -1.885 2.270 1.00 62.13 H new ATOM 0 HB2 ASP A 439 6.723 -3.306 1.925 1.00 1.32 H new ATOM 0 HB3 ASP A 439 7.816 -3.140 0.565 1.00 1.32 H new ATOM 393 N SER A 440 9.306 -3.502 4.784 1.00 53.12 N ATOM 394 CA SER A 440 9.035 -3.705 6.202 1.00 41.42 C ATOM 395 C SER A 440 8.436 -2.448 6.826 1.00 3.31 C ATOM 396 O SER A 440 7.777 -2.509 7.864 1.00 74.32 O ATOM 397 CB SER A 440 10.320 -4.090 6.938 1.00 54.52 C ATOM 398 OG SER A 440 10.031 -4.806 8.128 1.00 44.01 O ATOM 0 H SER A 440 10.273 -3.677 4.510 1.00 53.12 H new ATOM 0 HA SER A 440 8.313 -4.516 6.296 1.00 41.42 H new ATOM 0 HB2 SER A 440 10.947 -4.699 6.287 1.00 54.52 H new ATOM 0 HB3 SER A 440 10.888 -3.191 7.179 1.00 54.52 H new ATOM 0 HG SER A 440 10.868 -5.042 8.579 1.00 44.01 H new ATOM 404 N LYS A 441 8.671 -1.308 6.185 1.00 55.40 N ATOM 405 CA LYS A 441 8.154 -0.034 6.674 1.00 33.45 C ATOM 406 C LYS A 441 6.706 0.168 6.240 1.00 1.33 C ATOM 407 O LYS A 441 5.798 0.216 7.072 1.00 5.12 O ATOM 408 CB LYS A 441 9.018 1.120 6.161 1.00 2.01 C ATOM 409 CG LYS A 441 9.702 1.906 7.267 1.00 72.31 C ATOM 410 CD LYS A 441 8.769 2.939 7.876 1.00 10.14 C ATOM 411 CE LYS A 441 9.058 3.146 9.355 1.00 13.42 C ATOM 412 NZ LYS A 441 8.408 4.379 9.879 1.00 2.42 N ATOM 0 H LYS A 441 9.216 -1.240 5.326 1.00 55.40 H new ATOM 0 HA LYS A 441 8.189 -0.049 7.763 1.00 33.45 H new ATOM 0 HB2 LYS A 441 9.776 0.723 5.486 1.00 2.01 H new ATOM 0 HB3 LYS A 441 8.395 1.798 5.577 1.00 2.01 H new ATOM 0 HG2 LYS A 441 10.044 1.221 8.043 1.00 72.31 H new ATOM 0 HG3 LYS A 441 10.586 2.403 6.868 1.00 72.31 H new ATOM 0 HD2 LYS A 441 8.877 3.886 7.347 1.00 10.14 H new ATOM 0 HD3 LYS A 441 7.735 2.618 7.747 1.00 10.14 H new ATOM 0 HE2 LYS A 441 8.706 2.282 9.918 1.00 13.42 H new ATOM 0 HE3 LYS A 441 10.135 3.209 9.509 1.00 13.42 H new ATOM 0 HZ1 LYS A 441 8.629 4.485 10.890 1.00 2.42 H new ATOM 0 HZ2 LYS A 441 8.763 5.207 9.359 1.00 2.42 H new ATOM 0 HZ3 LYS A 441 7.378 4.308 9.755 1.00 2.42 H new ATOM 426 N LEU A 442 6.496 0.284 4.934 1.00 43.13 N ATOM 427 CA LEU A 442 5.157 0.481 4.389 1.00 35.14 C ATOM 428 C LEU A 442 4.204 -0.603 4.884 1.00 10.20 C ATOM 429 O LEU A 442 3.016 -0.354 5.090 1.00 72.43 O ATOM 430 CB LEU A 442 5.201 0.477 2.860 1.00 52.11 C ATOM 431 CG LEU A 442 6.179 -0.508 2.219 1.00 2.21 C ATOM 432 CD1 LEU A 442 5.523 -1.230 1.053 1.00 25.40 C ATOM 433 CD2 LEU A 442 7.439 0.213 1.762 1.00 4.23 C ATOM 0 H LEU A 442 7.235 0.245 4.232 1.00 43.13 H new ATOM 0 HA LEU A 442 4.790 1.448 4.733 1.00 35.14 H new ATOM 0 HB2 LEU A 442 4.200 0.258 2.488 1.00 52.11 H new ATOM 0 HB3 LEU A 442 5.454 1.482 2.521 1.00 52.11 H new ATOM 0 HG LEU A 442 6.460 -1.250 2.967 1.00 2.21 H new ATOM 0 HD11 LEU A 442 6.235 -1.927 0.610 1.00 25.40 H new ATOM 0 HD12 LEU A 442 4.651 -1.779 1.409 1.00 25.40 H new ATOM 0 HD13 LEU A 442 5.212 -0.503 0.303 1.00 25.40 H new ATOM 0 HD21 LEU A 442 8.124 -0.503 1.308 1.00 4.23 H new ATOM 0 HD22 LEU A 442 7.176 0.977 1.030 1.00 4.23 H new ATOM 0 HD23 LEU A 442 7.921 0.682 2.620 1.00 4.23 H new ATOM 445 N THR A 443 4.733 -1.808 5.075 1.00 3.33 N ATOM 446 CA THR A 443 3.931 -2.929 5.548 1.00 22.40 C ATOM 447 C THR A 443 3.777 -2.896 7.063 1.00 44.41 C ATOM 448 O THR A 443 2.856 -3.496 7.617 1.00 10.33 O ATOM 449 CB THR A 443 4.552 -4.277 5.135 1.00 21.11 C ATOM 450 OG1 THR A 443 5.799 -4.470 5.812 1.00 54.53 O ATOM 451 CG2 THR A 443 4.773 -4.333 3.631 1.00 14.14 C ATOM 0 H THR A 443 5.714 -2.032 4.909 1.00 3.33 H new ATOM 0 HA THR A 443 2.949 -2.832 5.085 1.00 22.40 H new ATOM 0 HB THR A 443 3.860 -5.071 5.415 1.00 21.11 H new ATOM 0 HG1 THR A 443 6.442 -3.795 5.512 1.00 54.53 H new ATOM 0 HG21 THR A 443 5.212 -5.294 3.363 1.00 14.14 H new ATOM 0 HG22 THR A 443 3.818 -4.215 3.118 1.00 14.14 H new ATOM 0 HG23 THR A 443 5.447 -3.530 3.332 1.00 14.14 H new ATOM 459 N SER A 444 4.686 -2.190 7.730 1.00 15.23 N ATOM 460 CA SER A 444 4.652 -2.081 9.184 1.00 11.51 C ATOM 461 C SER A 444 3.268 -1.657 9.665 1.00 40.30 C ATOM 462 O SER A 444 2.802 -2.096 10.718 1.00 42.22 O ATOM 463 CB SER A 444 5.702 -1.078 9.666 1.00 30.34 C ATOM 464 OG SER A 444 6.312 -1.516 10.867 1.00 4.34 O ATOM 0 H SER A 444 5.454 -1.686 7.287 1.00 15.23 H new ATOM 0 HA SER A 444 4.878 -3.062 9.603 1.00 11.51 H new ATOM 0 HB2 SER A 444 6.462 -0.944 8.896 1.00 30.34 H new ATOM 0 HB3 SER A 444 5.235 -0.106 9.825 1.00 30.34 H new ATOM 0 HG SER A 444 6.980 -0.859 11.153 1.00 4.34 H new ATOM 470 N LEU A 445 2.616 -0.800 8.889 1.00 64.30 N ATOM 471 CA LEU A 445 1.284 -0.314 9.234 1.00 45.11 C ATOM 472 C LEU A 445 0.349 -1.474 9.561 1.00 12.24 C ATOM 473 O LEU A 445 -0.326 -1.471 10.591 1.00 40.14 O ATOM 474 CB LEU A 445 0.707 0.512 8.084 1.00 44.30 C ATOM 475 CG LEU A 445 0.635 2.023 8.312 1.00 4.52 C ATOM 476 CD1 LEU A 445 0.712 2.768 6.988 1.00 12.23 C ATOM 477 CD2 LEU A 445 -0.638 2.390 9.060 1.00 14.11 C ATOM 0 H LEU A 445 2.988 -0.426 8.016 1.00 64.30 H new ATOM 0 HA LEU A 445 1.373 0.318 10.118 1.00 45.11 H new ATOM 0 HB2 LEU A 445 1.308 0.327 7.194 1.00 44.30 H new ATOM 0 HB3 LEU A 445 -0.298 0.149 7.871 1.00 44.30 H new ATOM 0 HG LEU A 445 1.489 2.320 8.922 1.00 4.52 H new ATOM 0 HD11 LEU A 445 0.659 3.841 7.171 1.00 12.23 H new ATOM 0 HD12 LEU A 445 1.653 2.530 6.491 1.00 12.23 H new ATOM 0 HD13 LEU A 445 -0.121 2.467 6.352 1.00 12.23 H new ATOM 0 HD21 LEU A 445 -0.672 3.469 9.213 1.00 14.11 H new ATOM 0 HD22 LEU A 445 -1.505 2.079 8.477 1.00 14.11 H new ATOM 0 HD23 LEU A 445 -0.650 1.886 10.026 1.00 14.11 H new ATOM 489 N LEU A 446 0.317 -2.467 8.679 1.00 50.04 N ATOM 490 CA LEU A 446 -0.534 -3.636 8.874 1.00 61.02 C ATOM 491 C LEU A 446 0.182 -4.697 9.704 1.00 32.44 C ATOM 492 O LEU A 446 -0.455 -5.551 10.321 1.00 51.25 O ATOM 493 CB LEU A 446 -0.947 -4.223 7.523 1.00 41.12 C ATOM 494 CG LEU A 446 -2.279 -3.730 6.957 1.00 74.12 C ATOM 495 CD1 LEU A 446 -2.519 -4.313 5.573 1.00 73.42 C ATOM 496 CD2 LEU A 446 -3.422 -4.090 7.894 1.00 53.24 C ATOM 0 H LEU A 446 0.870 -2.486 7.822 1.00 50.04 H new ATOM 0 HA LEU A 446 -1.427 -3.319 9.413 1.00 61.02 H new ATOM 0 HB2 LEU A 446 -0.163 -4.002 6.798 1.00 41.12 H new ATOM 0 HB3 LEU A 446 -0.995 -5.308 7.620 1.00 41.12 H new ATOM 0 HG LEU A 446 -2.235 -2.644 6.869 1.00 74.12 H new ATOM 0 HD11 LEU A 446 -3.472 -3.951 5.186 1.00 73.42 H new ATOM 0 HD12 LEU A 446 -1.715 -4.005 4.904 1.00 73.42 H new ATOM 0 HD13 LEU A 446 -2.543 -5.401 5.636 1.00 73.42 H new ATOM 0 HD21 LEU A 446 -4.362 -3.731 7.475 1.00 53.24 H new ATOM 0 HD22 LEU A 446 -3.467 -5.172 8.013 1.00 53.24 H new ATOM 0 HD23 LEU A 446 -3.256 -3.624 8.866 1.00 53.24 H new ATOM 508 N SER A 447 1.509 -4.636 9.717 1.00 1.31 N ATOM 509 CA SER A 447 2.312 -5.592 10.470 1.00 73.32 C ATOM 510 C SER A 447 2.256 -5.291 11.964 1.00 50.42 C ATOM 511 O SER A 447 2.766 -6.056 12.782 1.00 43.44 O ATOM 512 CB SER A 447 3.763 -5.564 9.987 1.00 25.34 C ATOM 513 OG SER A 447 4.600 -4.907 10.923 1.00 60.21 O ATOM 0 H SER A 447 2.052 -3.934 9.214 1.00 1.31 H new ATOM 0 HA SER A 447 1.900 -6.587 10.302 1.00 73.32 H new ATOM 0 HB2 SER A 447 4.117 -6.583 9.830 1.00 25.34 H new ATOM 0 HB3 SER A 447 3.819 -5.056 9.025 1.00 25.34 H new ATOM 0 HG SER A 447 5.506 -4.833 10.556 1.00 60.21 H new ATOM 519 N GLU A 448 1.631 -4.170 12.313 1.00 1.20 N ATOM 520 CA GLU A 448 1.508 -3.766 13.708 1.00 4.43 C ATOM 521 C GLU A 448 0.846 -4.864 14.536 1.00 43.12 C ATOM 522 O GLU A 448 1.052 -4.952 15.746 1.00 52.04 O ATOM 523 CB GLU A 448 0.702 -2.470 13.819 1.00 35.22 C ATOM 524 CG GLU A 448 1.521 -1.219 13.554 1.00 4.31 C ATOM 525 CD GLU A 448 0.954 0.007 14.245 1.00 24.14 C ATOM 526 OE1 GLU A 448 -0.234 -0.026 14.628 1.00 12.31 O ATOM 527 OE2 GLU A 448 1.697 0.997 14.400 1.00 41.44 O ATOM 0 H GLU A 448 1.202 -3.526 11.648 1.00 1.20 H new ATOM 0 HA GLU A 448 2.511 -3.595 14.100 1.00 4.43 H new ATOM 0 HB2 GLU A 448 -0.128 -2.507 13.113 1.00 35.22 H new ATOM 0 HB3 GLU A 448 0.269 -2.406 14.817 1.00 35.22 H new ATOM 0 HG2 GLU A 448 2.545 -1.381 13.892 1.00 4.31 H new ATOM 0 HG3 GLU A 448 1.565 -1.039 12.480 1.00 4.31 H new ATOM 534 N GLN A 449 0.049 -5.696 13.874 1.00 3.42 N ATOM 535 CA GLN A 449 -0.645 -6.786 14.549 1.00 21.42 C ATOM 536 C GLN A 449 -0.190 -8.139 14.007 1.00 50.34 C ATOM 537 O GLN A 449 -0.099 -9.116 14.748 1.00 12.44 O ATOM 538 CB GLN A 449 -2.157 -6.638 14.379 1.00 73.42 C ATOM 539 CG GLN A 449 -2.567 -5.363 13.659 1.00 13.32 C ATOM 540 CD GLN A 449 -4.065 -5.131 13.691 1.00 43.10 C ATOM 541 OE1 GLN A 449 -4.742 -5.236 12.668 1.00 34.14 O ATOM 542 NE2 GLN A 449 -4.591 -4.813 14.867 1.00 14.52 N ATOM 0 H GLN A 449 -0.132 -5.636 12.872 1.00 3.42 H new ATOM 0 HA GLN A 449 -0.399 -6.738 15.610 1.00 21.42 H new ATOM 0 HB2 GLN A 449 -2.538 -7.496 13.825 1.00 73.42 H new ATOM 0 HB3 GLN A 449 -2.628 -6.658 15.362 1.00 73.42 H new ATOM 0 HG2 GLN A 449 -2.062 -4.513 14.117 1.00 13.32 H new ATOM 0 HG3 GLN A 449 -2.233 -5.412 12.623 1.00 13.32 H new ATOM 0 HE21 GLN A 449 -3.993 -4.737 15.689 1.00 14.52 H new ATOM 0 HE22 GLN A 449 -5.594 -4.645 14.948 1.00 14.52 H new ATOM 551 N GLY A 450 0.094 -8.186 12.709 1.00 54.24 N ATOM 552 CA GLY A 450 0.535 -9.422 12.092 1.00 34.31 C ATOM 553 C GLY A 450 0.229 -9.471 10.607 1.00 45.43 C ATOM 554 O GLY A 450 0.816 -10.265 9.872 1.00 4.30 O ATOM 0 H GLY A 450 0.026 -7.390 12.075 1.00 54.24 H new ATOM 0 HA2 GLY A 450 1.608 -9.537 12.243 1.00 34.31 H new ATOM 0 HA3 GLY A 450 0.052 -10.264 12.587 1.00 34.31 H new ATOM 558 N ILE A 451 -0.691 -8.620 10.167 1.00 50.33 N ATOM 559 CA ILE A 451 -1.073 -8.569 8.761 1.00 34.21 C ATOM 560 C ILE A 451 0.113 -8.190 7.882 1.00 32.02 C ATOM 561 O ILE A 451 0.896 -7.305 8.227 1.00 53.34 O ATOM 562 CB ILE A 451 -2.216 -7.564 8.524 1.00 10.12 C ATOM 563 CG1 ILE A 451 -3.463 -7.982 9.305 1.00 15.01 C ATOM 564 CG2 ILE A 451 -2.526 -7.455 7.039 1.00 43.33 C ATOM 565 CD1 ILE A 451 -4.716 -7.246 8.883 1.00 5.21 C ATOM 0 H ILE A 451 -1.186 -7.957 10.763 1.00 50.33 H new ATOM 0 HA ILE A 451 -1.417 -9.568 8.491 1.00 34.21 H new ATOM 0 HB ILE A 451 -1.898 -6.585 8.882 1.00 10.12 H new ATOM 0 HG12 ILE A 451 -3.620 -9.053 9.177 1.00 15.01 H new ATOM 0 HG13 ILE A 451 -3.291 -7.810 10.367 1.00 15.01 H new ATOM 0 HG21 ILE A 451 -3.336 -6.741 6.888 1.00 43.33 H new ATOM 0 HG22 ILE A 451 -1.638 -7.115 6.506 1.00 43.33 H new ATOM 0 HG23 ILE A 451 -2.827 -8.431 6.657 1.00 43.33 H new ATOM 0 HD11 ILE A 451 -5.560 -7.593 9.479 1.00 5.21 H new ATOM 0 HD12 ILE A 451 -4.579 -6.176 9.037 1.00 5.21 H new ATOM 0 HD13 ILE A 451 -4.913 -7.438 7.828 1.00 5.21 H new ATOM 577 N MET A 452 0.239 -8.865 6.744 1.00 12.44 N ATOM 578 CA MET A 452 1.330 -8.597 5.814 1.00 40.35 C ATOM 579 C MET A 452 0.867 -8.769 4.370 1.00 55.42 C ATOM 580 O MET A 452 1.099 -9.809 3.753 1.00 44.51 O ATOM 581 CB MET A 452 2.511 -9.525 6.097 1.00 24.01 C ATOM 582 CG MET A 452 3.198 -9.246 7.424 1.00 22.33 C ATOM 583 SD MET A 452 4.531 -10.409 7.773 1.00 25.14 S ATOM 584 CE MET A 452 5.700 -9.342 8.613 1.00 43.33 C ATOM 0 H MET A 452 -0.400 -9.601 6.444 1.00 12.44 H new ATOM 0 HA MET A 452 1.649 -7.564 5.955 1.00 40.35 H new ATOM 0 HB2 MET A 452 2.162 -10.557 6.088 1.00 24.01 H new ATOM 0 HB3 MET A 452 3.240 -9.428 5.292 1.00 24.01 H new ATOM 0 HG2 MET A 452 3.598 -8.232 7.416 1.00 22.33 H new ATOM 0 HG3 MET A 452 2.462 -9.291 8.227 1.00 22.33 H new ATOM 0 HE1 MET A 452 6.582 -9.918 8.893 1.00 43.33 H new ATOM 0 HE2 MET A 452 5.993 -8.529 7.948 1.00 43.33 H new ATOM 0 HE3 MET A 452 5.237 -8.929 9.509 1.00 43.33 H new ATOM 594 N VAL A 453 0.212 -7.743 3.837 1.00 53.24 N ATOM 595 CA VAL A 453 -0.283 -7.780 2.466 1.00 24.54 C ATOM 596 C VAL A 453 0.328 -6.662 1.630 1.00 41.35 C ATOM 597 O VAL A 453 0.578 -6.829 0.437 1.00 32.03 O ATOM 598 CB VAL A 453 -1.818 -7.662 2.419 1.00 0.40 C ATOM 599 CG1 VAL A 453 -2.462 -9.038 2.476 1.00 55.00 C ATOM 600 CG2 VAL A 453 -2.319 -6.782 3.555 1.00 64.12 C ATOM 0 H VAL A 453 0.012 -6.875 4.334 1.00 53.24 H new ATOM 0 HA VAL A 453 0.012 -8.743 2.050 1.00 24.54 H new ATOM 0 HB VAL A 453 -2.100 -7.195 1.476 1.00 0.40 H new ATOM 0 HG11 VAL A 453 -3.546 -8.934 2.442 1.00 55.00 H new ATOM 0 HG12 VAL A 453 -2.127 -9.632 1.625 1.00 55.00 H new ATOM 0 HG13 VAL A 453 -2.174 -9.536 3.402 1.00 55.00 H new ATOM 0 HG21 VAL A 453 -3.406 -6.709 3.507 1.00 64.12 H new ATOM 0 HG22 VAL A 453 -2.026 -7.219 4.510 1.00 64.12 H new ATOM 0 HG23 VAL A 453 -1.884 -5.787 3.463 1.00 64.12 H new ATOM 610 N ALA A 454 0.567 -5.519 2.265 1.00 10.53 N ATOM 611 CA ALA A 454 1.152 -4.372 1.582 1.00 34.53 C ATOM 612 C ALA A 454 2.357 -4.787 0.745 1.00 34.43 C ATOM 613 O ALA A 454 2.667 -4.161 -0.268 1.00 22.21 O ATOM 614 CB ALA A 454 1.548 -3.303 2.588 1.00 3.15 C ATOM 0 H ALA A 454 0.364 -5.363 3.252 1.00 10.53 H new ATOM 0 HA ALA A 454 0.400 -3.960 0.909 1.00 34.53 H new ATOM 0 HB1 ALA A 454 1.983 -2.453 2.063 1.00 3.15 H new ATOM 0 HB2 ALA A 454 0.666 -2.977 3.138 1.00 3.15 H new ATOM 0 HB3 ALA A 454 2.279 -3.712 3.285 1.00 3.15 H new ATOM 620 N ARG A 455 3.034 -5.847 1.177 1.00 73.22 N ATOM 621 CA ARG A 455 4.207 -6.345 0.469 1.00 60.55 C ATOM 622 C ARG A 455 3.913 -6.512 -1.020 1.00 21.34 C ATOM 623 O ARG A 455 4.483 -5.812 -1.858 1.00 51.33 O ATOM 624 CB ARG A 455 4.660 -7.680 1.062 1.00 50.34 C ATOM 625 CG ARG A 455 5.814 -8.321 0.310 1.00 11.42 C ATOM 626 CD ARG A 455 6.695 -9.143 1.238 1.00 32.32 C ATOM 627 NE ARG A 455 8.055 -9.279 0.724 1.00 25.10 N ATOM 628 CZ ARG A 455 8.922 -10.184 1.165 1.00 60.02 C ATOM 629 NH1 ARG A 455 8.571 -11.030 2.124 1.00 71.11 N ATOM 630 NH2 ARG A 455 10.142 -10.244 0.648 1.00 63.10 N ATOM 0 H ARG A 455 2.790 -6.377 2.014 1.00 73.22 H new ATOM 0 HA ARG A 455 5.007 -5.614 0.585 1.00 60.55 H new ATOM 0 HB2 ARG A 455 4.955 -7.525 2.100 1.00 50.34 H new ATOM 0 HB3 ARG A 455 3.816 -8.369 1.070 1.00 50.34 H new ATOM 0 HG2 ARG A 455 5.424 -8.959 -0.483 1.00 11.42 H new ATOM 0 HG3 ARG A 455 6.412 -7.546 -0.170 1.00 11.42 H new ATOM 0 HD2 ARG A 455 6.724 -8.672 2.221 1.00 32.32 H new ATOM 0 HD3 ARG A 455 6.257 -10.132 1.371 1.00 32.32 H new ATOM 0 HE ARG A 455 8.356 -8.644 -0.015 1.00 25.10 H new ATOM 0 HH11 ARG A 455 7.634 -10.987 2.524 1.00 71.11 H new ATOM 0 HH12 ARG A 455 9.238 -11.724 2.461 1.00 71.11 H new ATOM 0 HH21 ARG A 455 10.416 -9.595 -0.089 1.00 63.10 H new ATOM 0 HH22 ARG A 455 10.806 -10.939 0.988 1.00 63.10 H new ATOM 644 N ARG A 456 3.021 -7.444 -1.341 1.00 22.05 N ATOM 645 CA ARG A 456 2.653 -7.704 -2.727 1.00 24.34 C ATOM 646 C ARG A 456 1.527 -6.777 -3.174 1.00 43.12 C ATOM 647 O ARG A 456 1.391 -6.474 -4.360 1.00 42.24 O ATOM 648 CB ARG A 456 2.226 -9.163 -2.898 1.00 44.12 C ATOM 649 CG ARG A 456 0.773 -9.418 -2.535 1.00 53.22 C ATOM 650 CD ARG A 456 -0.139 -9.264 -3.743 1.00 14.12 C ATOM 651 NE ARG A 456 -1.465 -8.781 -3.369 1.00 73.14 N ATOM 652 CZ ARG A 456 -2.543 -8.926 -4.133 1.00 3.30 C ATOM 653 NH1 ARG A 456 -2.450 -9.537 -5.306 1.00 31.20 N ATOM 654 NH2 ARG A 456 -3.715 -8.459 -3.724 1.00 33.53 N ATOM 0 H ARG A 456 2.540 -8.031 -0.660 1.00 22.05 H new ATOM 0 HA ARG A 456 3.526 -7.513 -3.351 1.00 24.34 H new ATOM 0 HB2 ARG A 456 2.391 -9.462 -3.933 1.00 44.12 H new ATOM 0 HB3 ARG A 456 2.863 -9.794 -2.278 1.00 44.12 H new ATOM 0 HG2 ARG A 456 0.670 -10.423 -2.126 1.00 53.22 H new ATOM 0 HG3 ARG A 456 0.465 -8.723 -1.754 1.00 53.22 H new ATOM 0 HD2 ARG A 456 0.313 -8.570 -4.452 1.00 14.12 H new ATOM 0 HD3 ARG A 456 -0.233 -10.224 -4.251 1.00 14.12 H new ATOM 0 HE ARG A 456 -1.570 -8.306 -2.472 1.00 73.14 H new ATOM 0 HH11 ARG A 456 -1.550 -9.897 -5.624 1.00 31.20 H new ATOM 0 HH12 ARG A 456 -3.278 -9.647 -5.891 1.00 31.20 H new ATOM 0 HH21 ARG A 456 -3.790 -7.988 -2.822 1.00 33.53 H new ATOM 0 HH22 ARG A 456 -4.542 -8.571 -4.311 1.00 33.53 H new ATOM 668 N THR A 457 0.720 -6.330 -2.216 1.00 62.40 N ATOM 669 CA THR A 457 -0.395 -5.439 -2.511 1.00 3.31 C ATOM 670 C THR A 457 0.098 -4.102 -3.051 1.00 61.14 C ATOM 671 O THR A 457 -0.273 -3.690 -4.151 1.00 11.15 O ATOM 672 CB THR A 457 -1.259 -5.188 -1.260 1.00 21.44 C ATOM 673 OG1 THR A 457 -1.928 -6.395 -0.878 1.00 41.14 O ATOM 674 CG2 THR A 457 -2.282 -4.094 -1.520 1.00 74.42 C ATOM 0 H THR A 457 0.818 -6.571 -1.230 1.00 62.40 H new ATOM 0 HA THR A 457 -1.002 -5.932 -3.270 1.00 3.31 H new ATOM 0 HB THR A 457 -0.604 -4.865 -0.451 1.00 21.44 H new ATOM 0 HG1 THR A 457 -1.289 -7.001 -0.447 1.00 41.14 H new ATOM 0 HG21 THR A 457 -2.880 -3.935 -0.623 1.00 74.42 H new ATOM 0 HG22 THR A 457 -1.767 -3.170 -1.782 1.00 74.42 H new ATOM 0 HG23 THR A 457 -2.933 -4.392 -2.342 1.00 74.42 H new ATOM 682 N VAL A 458 0.935 -3.426 -2.270 1.00 62.20 N ATOM 683 CA VAL A 458 1.480 -2.134 -2.672 1.00 22.14 C ATOM 684 C VAL A 458 2.087 -2.204 -4.068 1.00 63.14 C ATOM 685 O VAL A 458 1.884 -1.310 -4.890 1.00 23.32 O ATOM 686 CB VAL A 458 2.553 -1.645 -1.682 1.00 11.25 C ATOM 687 CG1 VAL A 458 3.226 -0.384 -2.201 1.00 73.34 C ATOM 688 CG2 VAL A 458 1.942 -1.406 -0.309 1.00 73.44 C ATOM 0 H VAL A 458 1.250 -3.751 -1.356 1.00 62.20 H new ATOM 0 HA VAL A 458 0.650 -1.428 -2.675 1.00 22.14 H new ATOM 0 HB VAL A 458 3.313 -2.420 -1.587 1.00 11.25 H new ATOM 0 HG11 VAL A 458 3.981 -0.054 -1.487 1.00 73.34 H new ATOM 0 HG12 VAL A 458 3.700 -0.593 -3.160 1.00 73.34 H new ATOM 0 HG13 VAL A 458 2.480 0.400 -2.328 1.00 73.34 H new ATOM 0 HG21 VAL A 458 2.715 -1.061 0.378 1.00 73.44 H new ATOM 0 HG22 VAL A 458 1.160 -0.650 -0.385 1.00 73.44 H new ATOM 0 HG23 VAL A 458 1.513 -2.336 0.065 1.00 73.44 H new ATOM 698 N ALA A 459 2.834 -3.272 -4.330 1.00 71.41 N ATOM 699 CA ALA A 459 3.469 -3.460 -5.629 1.00 35.41 C ATOM 700 C ALA A 459 2.437 -3.787 -6.702 1.00 63.43 C ATOM 701 O ALA A 459 2.657 -3.535 -7.887 1.00 61.32 O ATOM 702 CB ALA A 459 4.516 -4.560 -5.549 1.00 23.24 C ATOM 0 H ALA A 459 3.014 -4.020 -3.660 1.00 71.41 H new ATOM 0 HA ALA A 459 3.959 -2.526 -5.906 1.00 35.41 H new ATOM 0 HB1 ALA A 459 4.982 -4.690 -6.526 1.00 23.24 H new ATOM 0 HB2 ALA A 459 5.276 -4.286 -4.817 1.00 23.24 H new ATOM 0 HB3 ALA A 459 4.041 -5.493 -5.247 1.00 23.24 H new ATOM 708 N LYS A 460 1.309 -4.350 -6.282 1.00 3.21 N ATOM 709 CA LYS A 460 0.242 -4.711 -7.207 1.00 13.11 C ATOM 710 C LYS A 460 -0.560 -3.481 -7.620 1.00 24.31 C ATOM 711 O LYS A 460 -0.996 -3.368 -8.767 1.00 4.32 O ATOM 712 CB LYS A 460 -0.686 -5.746 -6.567 1.00 55.34 C ATOM 713 CG LYS A 460 -0.532 -7.141 -7.145 1.00 22.14 C ATOM 714 CD LYS A 460 -1.162 -7.247 -8.524 1.00 30.22 C ATOM 715 CE LYS A 460 -2.006 -8.506 -8.656 1.00 5.03 C ATOM 716 NZ LYS A 460 -2.624 -8.620 -10.006 1.00 50.32 N ATOM 0 H LYS A 460 1.110 -4.566 -5.305 1.00 3.21 H new ATOM 0 HA LYS A 460 0.698 -5.142 -8.098 1.00 13.11 H new ATOM 0 HB2 LYS A 460 -0.491 -5.783 -5.495 1.00 55.34 H new ATOM 0 HB3 LYS A 460 -1.719 -5.422 -6.692 1.00 55.34 H new ATOM 0 HG2 LYS A 460 0.526 -7.395 -7.207 1.00 22.14 H new ATOM 0 HG3 LYS A 460 -0.995 -7.866 -6.476 1.00 22.14 H new ATOM 0 HD2 LYS A 460 -1.783 -6.370 -8.710 1.00 30.22 H new ATOM 0 HD3 LYS A 460 -0.380 -7.251 -9.283 1.00 30.22 H new ATOM 0 HE2 LYS A 460 -1.385 -9.381 -8.466 1.00 5.03 H new ATOM 0 HE3 LYS A 460 -2.789 -8.500 -7.898 1.00 5.03 H new ATOM 0 HZ1 LYS A 460 -3.191 -9.491 -10.056 1.00 50.32 H new ATOM 0 HZ2 LYS A 460 -3.237 -7.797 -10.178 1.00 50.32 H new ATOM 0 HZ3 LYS A 460 -1.877 -8.652 -10.728 1.00 50.32 H new ATOM 730 N TYR A 461 -0.748 -2.560 -6.682 1.00 12.13 N ATOM 731 CA TYR A 461 -1.497 -1.338 -6.948 1.00 62.52 C ATOM 732 C TYR A 461 -0.616 -0.297 -7.631 1.00 41.32 C ATOM 733 O TYR A 461 -1.105 0.562 -8.366 1.00 12.15 O ATOM 734 CB TYR A 461 -2.065 -0.768 -5.648 1.00 15.51 C ATOM 735 CG TYR A 461 -3.332 -1.454 -5.189 1.00 34.43 C ATOM 736 CD1 TYR A 461 -4.473 -1.455 -5.983 1.00 44.33 C ATOM 737 CD2 TYR A 461 -3.388 -2.104 -3.961 1.00 41.14 C ATOM 738 CE1 TYR A 461 -5.632 -2.078 -5.567 1.00 34.24 C ATOM 739 CE2 TYR A 461 -4.544 -2.732 -3.538 1.00 0.22 C ATOM 740 CZ TYR A 461 -5.663 -2.717 -4.344 1.00 51.20 C ATOM 741 OH TYR A 461 -6.816 -3.341 -3.927 1.00 22.03 O ATOM 0 H TYR A 461 -0.392 -2.637 -5.729 1.00 12.13 H new ATOM 0 HA TYR A 461 -2.321 -1.586 -7.617 1.00 62.52 H new ATOM 0 HB2 TYR A 461 -1.312 -0.852 -4.865 1.00 15.51 H new ATOM 0 HB3 TYR A 461 -2.266 0.295 -5.784 1.00 15.51 H new ATOM 0 HD1 TYR A 461 -4.452 -0.959 -6.942 1.00 44.33 H new ATOM 0 HD2 TYR A 461 -2.514 -2.118 -3.327 1.00 41.14 H new ATOM 0 HE1 TYR A 461 -6.510 -2.066 -6.195 1.00 34.24 H new ATOM 0 HE2 TYR A 461 -4.571 -3.232 -2.581 1.00 0.22 H new ATOM 0 HH TYR A 461 -6.670 -3.743 -3.045 1.00 22.03 H new ATOM 751 N ARG A 462 0.687 -0.379 -7.382 1.00 21.34 N ATOM 752 CA ARG A 462 1.638 0.555 -7.972 1.00 0.23 C ATOM 753 C ARG A 462 1.577 0.505 -9.495 1.00 64.13 C ATOM 754 O ARG A 462 1.989 1.447 -10.173 1.00 72.23 O ATOM 755 CB ARG A 462 3.058 0.238 -7.497 1.00 13.11 C ATOM 756 CG ARG A 462 3.725 -0.884 -8.277 1.00 54.41 C ATOM 757 CD ARG A 462 4.714 -0.342 -9.296 1.00 3.44 C ATOM 758 NE ARG A 462 5.502 -1.406 -9.912 1.00 45.34 N ATOM 759 CZ ARG A 462 6.420 -1.192 -10.848 1.00 31.42 C ATOM 760 NH1 ARG A 462 6.665 0.040 -11.274 1.00 54.03 N ATOM 761 NH2 ARG A 462 7.097 -2.212 -11.361 1.00 70.44 N ATOM 0 H ARG A 462 1.108 -1.083 -6.776 1.00 21.34 H new ATOM 0 HA ARG A 462 1.369 1.561 -7.648 1.00 0.23 H new ATOM 0 HB2 ARG A 462 3.668 1.138 -7.577 1.00 13.11 H new ATOM 0 HB3 ARG A 462 3.027 -0.033 -6.442 1.00 13.11 H new ATOM 0 HG2 ARG A 462 4.241 -1.552 -7.587 1.00 54.41 H new ATOM 0 HG3 ARG A 462 2.965 -1.477 -8.786 1.00 54.41 H new ATOM 0 HD2 ARG A 462 4.175 0.204 -10.070 1.00 3.44 H new ATOM 0 HD3 ARG A 462 5.382 0.369 -8.810 1.00 3.44 H new ATOM 0 HE ARG A 462 5.339 -2.366 -9.607 1.00 45.34 H new ATOM 0 HH11 ARG A 462 6.148 0.827 -10.883 1.00 54.03 H new ATOM 0 HH12 ARG A 462 7.371 0.200 -11.993 1.00 54.03 H new ATOM 0 HH21 ARG A 462 6.913 -3.161 -11.037 1.00 70.44 H new ATOM 0 HH22 ARG A 462 7.802 -2.047 -12.080 1.00 70.44 H new ATOM 775 N GLU A 463 1.062 -0.599 -10.026 1.00 71.42 N ATOM 776 CA GLU A 463 0.949 -0.771 -11.470 1.00 72.01 C ATOM 777 C GLU A 463 0.031 0.289 -12.074 1.00 12.20 C ATOM 778 O GLU A 463 0.238 0.733 -13.203 1.00 4.01 O ATOM 779 CB GLU A 463 0.418 -2.168 -11.799 1.00 64.44 C ATOM 780 CG GLU A 463 1.200 -3.289 -11.134 1.00 41.02 C ATOM 781 CD GLU A 463 0.747 -4.664 -11.584 1.00 51.24 C ATOM 782 OE1 GLU A 463 -0.462 -4.834 -11.846 1.00 55.32 O ATOM 783 OE2 GLU A 463 1.601 -5.569 -11.674 1.00 34.43 O ATOM 0 H GLU A 463 0.717 -1.387 -9.479 1.00 71.42 H new ATOM 0 HA GLU A 463 1.943 -0.656 -11.903 1.00 72.01 H new ATOM 0 HB2 GLU A 463 -0.626 -2.232 -11.491 1.00 64.44 H new ATOM 0 HB3 GLU A 463 0.441 -2.311 -12.879 1.00 64.44 H new ATOM 0 HG2 GLU A 463 2.260 -3.169 -11.357 1.00 41.02 H new ATOM 0 HG3 GLU A 463 1.091 -3.211 -10.052 1.00 41.02 H new ATOM 790 N SER A 464 -0.983 0.688 -11.313 1.00 13.12 N ATOM 791 CA SER A 464 -1.935 1.692 -11.774 1.00 11.53 C ATOM 792 C SER A 464 -2.206 2.725 -10.683 1.00 34.25 C ATOM 793 O SER A 464 -3.356 2.966 -10.313 1.00 61.33 O ATOM 794 CB SER A 464 -3.245 1.026 -12.199 1.00 1.12 C ATOM 795 OG SER A 464 -4.108 1.956 -12.830 1.00 33.44 O ATOM 0 H SER A 464 -1.166 0.332 -10.375 1.00 13.12 H new ATOM 0 HA SER A 464 -1.500 2.202 -12.633 1.00 11.53 H new ATOM 0 HB2 SER A 464 -3.033 0.201 -12.880 1.00 1.12 H new ATOM 0 HB3 SER A 464 -3.740 0.600 -11.326 1.00 1.12 H new ATOM 0 HG SER A 464 -4.305 2.691 -12.212 1.00 33.44 H new ATOM 801 N LEU A 465 -1.140 3.329 -10.172 1.00 62.30 N ATOM 802 CA LEU A 465 -1.261 4.336 -9.123 1.00 72.04 C ATOM 803 C LEU A 465 -2.268 5.413 -9.516 1.00 15.14 C ATOM 804 O LEU A 465 -3.175 5.737 -8.750 1.00 73.34 O ATOM 805 CB LEU A 465 0.101 4.974 -8.842 1.00 31.04 C ATOM 806 CG LEU A 465 0.969 5.269 -10.064 1.00 71.22 C ATOM 807 CD1 LEU A 465 1.288 6.755 -10.146 1.00 32.44 C ATOM 808 CD2 LEU A 465 2.249 4.448 -10.021 1.00 3.13 C ATOM 0 H LEU A 465 -0.182 3.140 -10.466 1.00 62.30 H new ATOM 0 HA LEU A 465 -1.618 3.843 -8.219 1.00 72.04 H new ATOM 0 HB2 LEU A 465 -0.062 5.907 -8.303 1.00 31.04 H new ATOM 0 HB3 LEU A 465 0.658 4.315 -8.176 1.00 31.04 H new ATOM 0 HG LEU A 465 0.412 4.988 -10.958 1.00 71.22 H new ATOM 0 HD11 LEU A 465 1.907 6.946 -11.023 1.00 32.44 H new ATOM 0 HD12 LEU A 465 0.361 7.322 -10.226 1.00 32.44 H new ATOM 0 HD13 LEU A 465 1.825 7.062 -9.249 1.00 32.44 H new ATOM 0 HD21 LEU A 465 2.854 4.672 -10.899 1.00 3.13 H new ATOM 0 HD22 LEU A 465 2.811 4.697 -9.120 1.00 3.13 H new ATOM 0 HD23 LEU A 465 2.000 3.387 -10.012 1.00 3.13 H new ATOM 820 N SER A 466 -2.102 5.962 -10.715 1.00 1.44 N ATOM 821 CA SER A 466 -2.996 7.003 -11.209 1.00 5.43 C ATOM 822 C SER A 466 -3.154 8.117 -10.178 1.00 33.11 C ATOM 823 O SER A 466 -4.207 8.255 -9.556 1.00 53.53 O ATOM 824 CB SER A 466 -4.363 6.410 -11.552 1.00 12.30 C ATOM 825 OG SER A 466 -5.159 7.342 -12.264 1.00 61.30 O ATOM 0 H SER A 466 -1.357 5.704 -11.362 1.00 1.44 H new ATOM 0 HA SER A 466 -2.557 7.428 -12.112 1.00 5.43 H new ATOM 0 HB2 SER A 466 -4.232 5.508 -12.149 1.00 12.30 H new ATOM 0 HB3 SER A 466 -4.875 6.114 -10.636 1.00 12.30 H new ATOM 0 HG SER A 466 -6.027 6.938 -12.473 1.00 61.30 H new ATOM 831 N ILE A 467 -2.101 8.907 -10.004 1.00 3.22 N ATOM 832 CA ILE A 467 -2.122 10.009 -9.050 1.00 54.34 C ATOM 833 C ILE A 467 -1.733 11.323 -9.718 1.00 5.32 C ATOM 834 O ILE A 467 -1.121 11.347 -10.786 1.00 72.44 O ATOM 835 CB ILE A 467 -1.174 9.747 -7.865 1.00 72.14 C ATOM 836 CG1 ILE A 467 0.157 10.471 -8.079 1.00 74.30 C ATOM 837 CG2 ILE A 467 -0.948 8.253 -7.687 1.00 74.32 C ATOM 838 CD1 ILE A 467 0.943 9.949 -9.261 1.00 24.13 C ATOM 0 H ILE A 467 -1.222 8.805 -10.511 1.00 3.22 H new ATOM 0 HA ILE A 467 -3.144 10.083 -8.677 1.00 54.34 H new ATOM 0 HB ILE A 467 -1.636 10.135 -6.957 1.00 72.14 H new ATOM 0 HG12 ILE A 467 -0.035 11.534 -8.221 1.00 74.30 H new ATOM 0 HG13 ILE A 467 0.763 10.375 -7.178 1.00 74.30 H new ATOM 0 HG21 ILE A 467 -0.276 8.084 -6.846 1.00 74.32 H new ATOM 0 HG22 ILE A 467 -1.901 7.761 -7.494 1.00 74.32 H new ATOM 0 HG23 ILE A 467 -0.505 7.842 -8.594 1.00 74.32 H new ATOM 0 HD11 ILE A 467 1.875 10.507 -9.354 1.00 24.13 H new ATOM 0 HD12 ILE A 467 1.166 8.893 -9.112 1.00 24.13 H new ATOM 0 HD13 ILE A 467 0.355 10.070 -10.171 1.00 24.13 H new ATOM 850 N PRO A 468 -2.092 12.443 -9.075 1.00 61.02 N ATOM 851 CA PRO A 468 -1.788 13.783 -9.587 1.00 30.33 C ATOM 852 C PRO A 468 -0.298 14.105 -9.520 1.00 35.24 C ATOM 853 O PRO A 468 0.440 13.568 -8.694 1.00 30.31 O ATOM 854 CB PRO A 468 -2.577 14.706 -8.657 1.00 45.31 C ATOM 855 CG PRO A 468 -2.724 13.934 -7.391 1.00 0.13 C ATOM 856 CD PRO A 468 -2.823 12.489 -7.797 1.00 64.21 C ATOM 0 HA PRO A 468 -2.054 13.887 -10.639 1.00 30.33 H new ATOM 0 HB2 PRO A 468 -2.048 15.644 -8.489 1.00 45.31 H new ATOM 0 HB3 PRO A 468 -3.549 14.959 -9.081 1.00 45.31 H new ATOM 0 HG2 PRO A 468 -1.870 14.097 -6.733 1.00 0.13 H new ATOM 0 HG3 PRO A 468 -3.613 14.247 -6.844 1.00 0.13 H new ATOM 0 HD2 PRO A 468 -2.374 11.831 -7.053 1.00 64.21 H new ATOM 0 HD3 PRO A 468 -3.860 12.175 -7.916 1.00 64.21 H new ATOM 864 N PRO A 469 0.155 15.001 -10.409 1.00 41.32 N ATOM 865 CA PRO A 469 1.560 15.415 -10.469 1.00 73.04 C ATOM 866 C PRO A 469 1.968 16.256 -9.264 1.00 64.32 C ATOM 867 O PRO A 469 1.126 16.659 -8.462 1.00 65.24 O ATOM 868 CB PRO A 469 1.629 16.249 -11.751 1.00 62.12 C ATOM 869 CG PRO A 469 0.242 16.754 -11.949 1.00 71.43 C ATOM 870 CD PRO A 469 -0.670 15.681 -11.422 1.00 23.35 C ATOM 0 HA PRO A 469 2.238 14.561 -10.462 1.00 73.04 H new ATOM 0 HB2 PRO A 469 2.339 17.070 -11.651 1.00 62.12 H new ATOM 0 HB3 PRO A 469 1.956 15.646 -12.598 1.00 62.12 H new ATOM 0 HG2 PRO A 469 0.089 17.692 -11.416 1.00 71.43 H new ATOM 0 HG3 PRO A 469 0.045 16.950 -13.003 1.00 71.43 H new ATOM 0 HD2 PRO A 469 -1.576 16.102 -10.986 1.00 23.35 H new ATOM 0 HD3 PRO A 469 -0.984 14.997 -12.210 1.00 23.35 H new ATOM 878 N SER A 470 3.267 16.517 -9.144 1.00 52.04 N ATOM 879 CA SER A 470 3.787 17.308 -8.035 1.00 51.14 C ATOM 880 C SER A 470 3.559 16.595 -6.705 1.00 33.44 C ATOM 881 O SER A 470 3.672 17.196 -5.638 1.00 43.13 O ATOM 882 CB SER A 470 3.123 18.686 -8.007 1.00 42.43 C ATOM 883 OG SER A 470 3.958 19.641 -7.374 1.00 71.35 O ATOM 0 H SER A 470 3.977 16.192 -9.801 1.00 52.04 H new ATOM 0 HA SER A 470 4.860 17.432 -8.182 1.00 51.14 H new ATOM 0 HB2 SER A 470 2.903 19.008 -9.025 1.00 42.43 H new ATOM 0 HB3 SER A 470 2.171 18.624 -7.480 1.00 42.43 H new ATOM 0 HG SER A 470 4.269 19.285 -6.515 1.00 71.35 H new ATOM 889 N ASN A 471 3.238 15.308 -6.779 1.00 32.51 N ATOM 890 CA ASN A 471 2.993 14.510 -5.582 1.00 62.54 C ATOM 891 C ASN A 471 3.526 13.091 -5.755 1.00 43.04 C ATOM 892 O ASN A 471 3.068 12.162 -5.092 1.00 13.02 O ATOM 893 CB ASN A 471 1.497 14.471 -5.267 1.00 72.34 C ATOM 894 CG ASN A 471 0.925 15.850 -5.001 1.00 13.14 C ATOM 895 OD1 ASN A 471 1.042 16.308 -3.760 1.00 22.31 O flip ATOM 896 ND2 ASN A 471 0.385 16.495 -5.899 1.00 41.21 N flip ATOM 0 H ASN A 471 3.141 14.795 -7.655 1.00 32.51 H new ATOM 0 HA ASN A 471 3.520 14.977 -4.750 1.00 62.54 H new ATOM 0 HB2 ASN A 471 0.965 14.015 -6.102 1.00 72.34 H new ATOM 0 HB3 ASN A 471 1.328 13.837 -4.397 1.00 72.34 H new ATOM 0 HD21 ASN A 471 0.317 16.103 -6.838 1.00 41.21 H new ATOM 0 HD22 ASN A 471 0.005 17.421 -5.704 1.00 41.21 H new ATOM 903 N GLN A 472 4.495 12.934 -6.650 1.00 25.43 N ATOM 904 CA GLN A 472 5.090 11.628 -6.910 1.00 43.23 C ATOM 905 C GLN A 472 6.305 11.396 -6.018 1.00 5.22 C ATOM 906 O GLN A 472 6.672 10.255 -5.735 1.00 61.13 O ATOM 907 CB GLN A 472 5.493 11.511 -8.381 1.00 42.30 C ATOM 908 CG GLN A 472 4.512 12.174 -9.335 1.00 51.52 C ATOM 909 CD GLN A 472 4.260 11.348 -10.581 1.00 52.31 C ATOM 910 OE1 GLN A 472 4.185 10.121 -10.520 1.00 72.41 O ATOM 911 NE2 GLN A 472 4.127 12.018 -11.719 1.00 50.14 N ATOM 0 H GLN A 472 4.885 13.694 -7.207 1.00 25.43 H new ATOM 0 HA GLN A 472 4.345 10.866 -6.683 1.00 43.23 H new ATOM 0 HB2 GLN A 472 6.478 11.959 -8.516 1.00 42.30 H new ATOM 0 HB3 GLN A 472 5.584 10.456 -8.641 1.00 42.30 H new ATOM 0 HG2 GLN A 472 3.567 12.343 -8.819 1.00 51.52 H new ATOM 0 HG3 GLN A 472 4.897 13.152 -9.624 1.00 51.52 H new ATOM 0 HE21 GLN A 472 4.197 13.036 -11.723 1.00 50.14 H new ATOM 0 HE22 GLN A 472 3.955 11.515 -12.590 1.00 50.14 H new ATOM 920 N ARG A 473 6.927 12.485 -5.578 1.00 64.03 N ATOM 921 CA ARG A 473 8.102 12.401 -4.720 1.00 23.31 C ATOM 922 C ARG A 473 9.275 11.768 -5.465 1.00 52.50 C ATOM 923 O ARG A 473 10.277 11.387 -4.858 1.00 71.12 O ATOM 924 CB ARG A 473 7.785 11.588 -3.463 1.00 24.00 C ATOM 925 CG ARG A 473 8.772 11.810 -2.328 1.00 71.41 C ATOM 926 CD ARG A 473 8.972 10.545 -1.509 1.00 34.13 C ATOM 927 NE ARG A 473 10.035 10.696 -0.519 1.00 42.24 N ATOM 928 CZ ARG A 473 9.906 11.411 0.594 1.00 63.33 C ATOM 929 NH1 ARG A 473 8.767 12.036 0.857 1.00 62.24 N ATOM 930 NH2 ARG A 473 10.919 11.502 1.446 1.00 3.14 N ATOM 0 H ARG A 473 6.636 13.437 -5.802 1.00 64.03 H new ATOM 0 HA ARG A 473 8.382 13.414 -4.429 1.00 23.31 H new ATOM 0 HB2 ARG A 473 6.784 11.845 -3.118 1.00 24.00 H new ATOM 0 HB3 ARG A 473 7.772 10.529 -3.720 1.00 24.00 H new ATOM 0 HG2 ARG A 473 9.729 12.136 -2.735 1.00 71.41 H new ATOM 0 HG3 ARG A 473 8.411 12.610 -1.682 1.00 71.41 H new ATOM 0 HD2 ARG A 473 8.040 10.289 -1.004 1.00 34.13 H new ATOM 0 HD3 ARG A 473 9.212 9.716 -2.175 1.00 34.13 H new ATOM 0 HE ARG A 473 10.925 10.227 -0.691 1.00 42.24 H new ATOM 0 HH11 ARG A 473 7.986 11.969 0.204 1.00 62.24 H new ATOM 0 HH12 ARG A 473 8.672 12.584 1.712 1.00 62.24 H new ATOM 0 HH21 ARG A 473 11.797 11.023 1.247 1.00 3.14 H new ATOM 0 HH22 ARG A 473 10.819 12.051 2.300 1.00 3.14 H new ATOM 944 N LYS A 474 9.143 11.660 -6.782 1.00 21.35 N ATOM 945 CA LYS A 474 10.191 11.075 -7.610 1.00 73.45 C ATOM 946 C LYS A 474 9.975 11.417 -9.082 1.00 41.34 C ATOM 947 O LYS A 474 9.839 10.528 -9.921 1.00 23.14 O ATOM 948 CB LYS A 474 10.225 9.556 -7.429 1.00 74.13 C ATOM 949 CG LYS A 474 11.553 8.927 -7.814 1.00 33.11 C ATOM 950 CD LYS A 474 12.296 8.406 -6.595 1.00 24.24 C ATOM 951 CE LYS A 474 13.411 7.449 -6.990 1.00 4.11 C ATOM 952 NZ LYS A 474 13.284 6.135 -6.301 1.00 3.40 N ATOM 0 H LYS A 474 8.320 11.970 -7.299 1.00 21.35 H new ATOM 0 HA LYS A 474 11.146 11.494 -7.293 1.00 73.45 H new ATOM 0 HB2 LYS A 474 10.008 9.318 -6.388 1.00 74.13 H new ATOM 0 HB3 LYS A 474 9.433 9.109 -8.030 1.00 74.13 H new ATOM 0 HG2 LYS A 474 11.380 8.109 -8.513 1.00 33.11 H new ATOM 0 HG3 LYS A 474 12.169 9.663 -8.330 1.00 33.11 H new ATOM 0 HD2 LYS A 474 12.714 9.244 -6.037 1.00 24.24 H new ATOM 0 HD3 LYS A 474 11.597 7.898 -5.931 1.00 24.24 H new ATOM 0 HE2 LYS A 474 13.393 7.296 -8.069 1.00 4.11 H new ATOM 0 HE3 LYS A 474 14.375 7.895 -6.747 1.00 4.11 H new ATOM 0 HZ1 LYS A 474 14.062 5.511 -6.597 1.00 3.40 H new ATOM 0 HZ2 LYS A 474 13.326 6.277 -5.272 1.00 3.40 H new ATOM 0 HZ3 LYS A 474 12.375 5.697 -6.553 1.00 3.40 H new ATOM 966 N GLN A 475 9.946 12.711 -9.386 1.00 0.34 N ATOM 967 CA GLN A 475 9.749 13.168 -10.756 1.00 41.24 C ATOM 968 C GLN A 475 10.764 12.528 -11.695 1.00 25.54 C ATOM 969 O GLN A 475 11.873 12.180 -11.286 1.00 50.21 O ATOM 970 CB GLN A 475 9.860 14.693 -10.827 1.00 5.15 C ATOM 971 CG GLN A 475 11.289 15.204 -10.727 1.00 32.44 C ATOM 972 CD GLN A 475 11.744 15.915 -11.986 1.00 53.22 C ATOM 973 OE1 GLN A 475 11.434 15.335 -13.139 1.00 23.05 O flip ATOM 974 NE2 GLN A 475 12.367 16.975 -11.923 1.00 21.15 N flip ATOM 0 H GLN A 475 10.056 13.460 -8.703 1.00 0.34 H new ATOM 0 HA GLN A 475 8.750 12.868 -11.073 1.00 41.24 H new ATOM 0 HB2 GLN A 475 9.424 15.037 -11.765 1.00 5.15 H new ATOM 0 HB3 GLN A 475 9.269 15.130 -10.022 1.00 5.15 H new ATOM 0 HG2 GLN A 475 11.369 15.886 -9.880 1.00 32.44 H new ATOM 0 HG3 GLN A 475 11.957 14.367 -10.526 1.00 32.44 H new ATOM 0 HE21 GLN A 475 12.584 17.386 -11.015 1.00 21.15 H new ATOM 0 HE22 GLN A 475 12.666 17.442 -12.779 1.00 21.15 H new ATOM 983 N LEU A 476 10.379 12.373 -12.958 1.00 64.23 N ATOM 984 CA LEU A 476 11.256 11.774 -13.958 1.00 41.35 C ATOM 985 C LEU A 476 10.646 11.882 -15.351 1.00 24.11 C ATOM 986 O LEU A 476 9.915 10.995 -15.791 1.00 33.44 O ATOM 987 CB LEU A 476 11.522 10.307 -13.616 1.00 60.23 C ATOM 988 CG LEU A 476 12.817 9.713 -14.172 1.00 0.02 C ATOM 989 CD1 LEU A 476 14.020 10.259 -13.419 1.00 11.13 C ATOM 990 CD2 LEU A 476 12.783 8.194 -14.095 1.00 11.22 C ATOM 0 H LEU A 476 9.465 12.654 -13.313 1.00 64.23 H new ATOM 0 HA LEU A 476 12.200 12.319 -13.953 1.00 41.35 H new ATOM 0 HB2 LEU A 476 11.535 10.204 -12.531 1.00 60.23 H new ATOM 0 HB3 LEU A 476 10.686 9.712 -13.983 1.00 60.23 H new ATOM 0 HG LEU A 476 12.907 10.002 -15.219 1.00 0.02 H new ATOM 0 HD11 LEU A 476 14.933 9.826 -13.828 1.00 11.13 H new ATOM 0 HD12 LEU A 476 14.054 11.343 -13.525 1.00 11.13 H new ATOM 0 HD13 LEU A 476 13.937 10.000 -12.363 1.00 11.13 H new ATOM 0 HD21 LEU A 476 13.712 7.789 -14.495 1.00 11.22 H new ATOM 0 HD22 LEU A 476 12.670 7.885 -13.056 1.00 11.22 H new ATOM 0 HD23 LEU A 476 11.943 7.819 -14.679 1.00 11.22 H new ATOM 1002 N VAL A 477 10.955 12.974 -16.044 1.00 24.32 N ATOM 1003 CA VAL A 477 10.441 13.196 -17.390 1.00 73.32 C ATOM 1004 C VAL A 477 11.569 13.206 -18.415 1.00 71.14 C ATOM 1005 O VAL A 477 12.495 14.011 -18.327 1.00 44.52 O ATOM 1006 CB VAL A 477 9.667 14.525 -17.482 1.00 35.11 C ATOM 1007 CG1 VAL A 477 8.373 14.445 -16.687 1.00 72.13 C ATOM 1008 CG2 VAL A 477 10.530 15.679 -16.996 1.00 65.53 C ATOM 0 H VAL A 477 11.559 13.718 -15.695 1.00 24.32 H new ATOM 0 HA VAL A 477 9.762 12.372 -17.610 1.00 73.32 H new ATOM 0 HB VAL A 477 9.413 14.706 -18.527 1.00 35.11 H new ATOM 0 HG11 VAL A 477 7.840 15.393 -16.764 1.00 72.13 H new ATOM 0 HG12 VAL A 477 7.750 13.645 -17.086 1.00 72.13 H new ATOM 0 HG13 VAL A 477 8.601 14.240 -15.641 1.00 72.13 H new ATOM 0 HG21 VAL A 477 9.967 16.610 -17.068 1.00 65.53 H new ATOM 0 HG22 VAL A 477 10.816 15.507 -15.958 1.00 65.53 H new ATOM 0 HG23 VAL A 477 11.426 15.748 -17.613 1.00 65.53 H new ATOM 1018 N ALA A 478 11.485 12.305 -19.388 1.00 71.34 N ATOM 1019 CA ALA A 478 12.497 12.211 -20.433 1.00 51.41 C ATOM 1020 C ALA A 478 12.142 11.129 -21.447 1.00 10.40 C ATOM 1021 O ALA A 478 11.345 10.236 -21.161 1.00 63.22 O ATOM 1022 CB ALA A 478 13.863 11.935 -19.820 1.00 72.02 C ATOM 0 H ALA A 478 10.726 11.629 -19.474 1.00 71.34 H new ATOM 0 HA ALA A 478 12.531 13.166 -20.958 1.00 51.41 H new ATOM 0 HB1 ALA A 478 14.610 11.867 -20.611 1.00 72.02 H new ATOM 0 HB2 ALA A 478 14.127 12.745 -19.140 1.00 72.02 H new ATOM 0 HB3 ALA A 478 13.831 10.995 -19.269 1.00 72.02 H new ATOM 1028 N ASN A 479 12.738 11.216 -22.632 1.00 54.42 N ATOM 1029 CA ASN A 479 12.482 10.245 -23.688 1.00 73.12 C ATOM 1030 C ASN A 479 13.698 9.351 -23.911 1.00 50.12 C ATOM 1031 O ASN A 479 13.564 8.153 -24.164 1.00 43.53 O ATOM 1032 CB ASN A 479 12.116 10.960 -24.990 1.00 72.11 C ATOM 1033 CG ASN A 479 11.413 10.046 -25.975 1.00 24.42 C ATOM 1034 OD1 ASN A 479 12.021 9.133 -26.534 1.00 62.33 O ATOM 1035 ND2 ASN A 479 10.126 10.287 -26.192 1.00 54.44 N ATOM 0 H ASN A 479 13.401 11.949 -22.884 1.00 54.42 H new ATOM 0 HA ASN A 479 11.645 9.620 -23.377 1.00 73.12 H new ATOM 0 HB2 ASN A 479 11.473 11.811 -24.765 1.00 72.11 H new ATOM 0 HB3 ASN A 479 13.021 11.357 -25.450 1.00 72.11 H new ATOM 0 HD21 ASN A 479 9.601 9.704 -26.844 1.00 54.44 H new ATOM 0 HD22 ASN A 479 9.662 11.055 -25.707 1.00 54.44 H new ATOM 1042 N SER A 480 14.885 9.942 -23.815 1.00 33.54 N ATOM 1043 CA SER A 480 16.125 9.199 -24.009 1.00 43.33 C ATOM 1044 C SER A 480 16.224 8.038 -23.025 1.00 62.12 C ATOM 1045 O SER A 480 16.870 7.028 -23.303 1.00 30.21 O ATOM 1046 CB SER A 480 17.331 10.128 -23.842 1.00 75.25 C ATOM 1047 OG SER A 480 18.181 10.069 -24.974 1.00 51.32 O ATOM 0 H SER A 480 15.014 10.932 -23.604 1.00 33.54 H new ATOM 0 HA SER A 480 16.122 8.794 -25.021 1.00 43.33 H new ATOM 0 HB2 SER A 480 16.988 11.152 -23.694 1.00 75.25 H new ATOM 0 HB3 SER A 480 17.889 9.847 -22.949 1.00 75.25 H new ATOM 0 HG SER A 480 18.942 10.672 -24.843 1.00 51.32 H new ATOM 1053 N SER A 481 15.577 8.190 -21.874 1.00 31.42 N ATOM 1054 CA SER A 481 15.594 7.156 -20.847 1.00 14.24 C ATOM 1055 C SER A 481 15.188 5.805 -21.428 1.00 15.34 C ATOM 1056 O SER A 481 15.653 4.757 -20.978 1.00 52.24 O ATOM 1057 CB SER A 481 14.655 7.531 -19.699 1.00 42.55 C ATOM 1058 OG SER A 481 14.418 6.423 -18.849 1.00 1.53 O ATOM 0 H SER A 481 15.035 9.019 -21.630 1.00 31.42 H new ATOM 0 HA SER A 481 16.612 7.077 -20.465 1.00 14.24 H new ATOM 0 HB2 SER A 481 15.089 8.348 -19.123 1.00 42.55 H new ATOM 0 HB3 SER A 481 13.709 7.892 -20.102 1.00 42.55 H new ATOM 0 HG SER A 481 13.816 6.690 -18.123 1.00 1.53 H new ATOM 1064 N SER A 482 14.317 5.838 -22.432 1.00 32.44 N ATOM 1065 CA SER A 482 13.845 4.617 -23.074 1.00 31.22 C ATOM 1066 C SER A 482 13.656 4.829 -24.573 1.00 52.12 C ATOM 1067 O SER A 482 12.618 4.479 -25.135 1.00 23.43 O ATOM 1068 CB SER A 482 12.528 4.159 -22.443 1.00 41.23 C ATOM 1069 OG SER A 482 12.422 4.609 -21.103 1.00 4.14 O ATOM 0 H SER A 482 13.924 6.697 -22.818 1.00 32.44 H new ATOM 0 HA SER A 482 14.599 3.844 -22.926 1.00 31.22 H new ATOM 0 HB2 SER A 482 11.690 4.541 -23.026 1.00 41.23 H new ATOM 0 HB3 SER A 482 12.467 3.071 -22.471 1.00 41.23 H new ATOM 0 HG SER A 482 11.572 4.305 -20.722 1.00 4.14 H new ATOM 1075 N VAL A 483 14.667 5.406 -25.214 1.00 24.31 N ATOM 1076 CA VAL A 483 14.615 5.665 -26.648 1.00 25.12 C ATOM 1077 C VAL A 483 15.011 4.427 -27.445 1.00 72.24 C ATOM 1078 O VAL A 483 14.561 4.233 -28.574 1.00 70.34 O ATOM 1079 CB VAL A 483 15.539 6.832 -27.041 1.00 62.32 C ATOM 1080 CG1 VAL A 483 16.969 6.552 -26.605 1.00 40.54 C ATOM 1081 CG2 VAL A 483 15.471 7.084 -28.541 1.00 12.30 C ATOM 0 H VAL A 483 15.532 5.703 -24.763 1.00 24.31 H new ATOM 0 HA VAL A 483 13.585 5.931 -26.884 1.00 25.12 H new ATOM 0 HB VAL A 483 15.197 7.731 -26.528 1.00 62.32 H new ATOM 0 HG11 VAL A 483 17.607 7.388 -26.892 1.00 40.54 H new ATOM 0 HG12 VAL A 483 17.001 6.425 -25.523 1.00 40.54 H new ATOM 0 HG13 VAL A 483 17.325 5.642 -27.088 1.00 40.54 H new ATOM 0 HG21 VAL A 483 16.130 7.912 -28.801 1.00 12.30 H new ATOM 0 HG22 VAL A 483 15.786 6.188 -29.075 1.00 12.30 H new ATOM 0 HG23 VAL A 483 14.448 7.333 -28.822 1.00 12.30 H new ATOM 1091 N ASP A 484 15.855 3.592 -26.850 1.00 5.33 N ATOM 1092 CA ASP A 484 16.312 2.371 -27.504 1.00 3.11 C ATOM 1093 C ASP A 484 16.997 2.687 -28.830 1.00 53.32 C ATOM 1094 O ASP A 484 16.690 2.085 -29.859 1.00 72.23 O ATOM 1095 CB ASP A 484 15.135 1.422 -27.737 1.00 12.23 C ATOM 1096 CG ASP A 484 14.145 1.434 -26.588 1.00 63.33 C ATOM 1097 OD1 ASP A 484 14.590 1.495 -25.423 1.00 44.15 O ATOM 1098 OD2 ASP A 484 12.926 1.382 -26.855 1.00 20.43 O ATOM 0 H ASP A 484 16.237 3.738 -25.916 1.00 5.33 H new ATOM 0 HA ASP A 484 17.036 1.887 -26.849 1.00 3.11 H new ATOM 0 HB2 ASP A 484 14.623 1.703 -28.657 1.00 12.23 H new ATOM 0 HB3 ASP A 484 15.511 0.409 -27.878 1.00 12.23 H new ATOM 1103 N LYS A 485 17.925 3.637 -28.798 1.00 64.41 N ATOM 1104 CA LYS A 485 18.654 4.035 -29.998 1.00 12.35 C ATOM 1105 C LYS A 485 19.768 5.020 -29.655 1.00 54.30 C ATOM 1106 O LYS A 485 20.013 5.313 -28.484 1.00 31.45 O ATOM 1107 CB LYS A 485 17.699 4.661 -31.016 1.00 42.33 C ATOM 1108 CG LYS A 485 17.964 4.226 -32.446 1.00 33.11 C ATOM 1109 CD LYS A 485 16.674 4.102 -33.239 1.00 53.12 C ATOM 1110 CE LYS A 485 15.898 2.853 -32.853 1.00 11.45 C ATOM 1111 NZ LYS A 485 14.687 2.667 -33.697 1.00 75.43 N ATOM 0 H LYS A 485 18.191 4.146 -27.955 1.00 64.41 H new ATOM 0 HA LYS A 485 19.103 3.143 -30.433 1.00 12.35 H new ATOM 0 HB2 LYS A 485 16.675 4.399 -30.749 1.00 42.33 H new ATOM 0 HB3 LYS A 485 17.777 5.746 -30.955 1.00 42.33 H new ATOM 0 HG2 LYS A 485 18.622 4.947 -32.931 1.00 33.11 H new ATOM 0 HG3 LYS A 485 18.485 3.269 -32.445 1.00 33.11 H new ATOM 0 HD2 LYS A 485 16.055 4.983 -33.068 1.00 53.12 H new ATOM 0 HD3 LYS A 485 16.902 4.074 -34.304 1.00 53.12 H new ATOM 0 HE2 LYS A 485 16.544 1.980 -32.949 1.00 11.45 H new ATOM 0 HE3 LYS A 485 15.604 2.918 -31.806 1.00 11.45 H new ATOM 0 HZ1 LYS A 485 14.187 1.805 -33.401 1.00 75.43 H new ATOM 0 HZ2 LYS A 485 14.058 3.487 -33.587 1.00 75.43 H new ATOM 0 HZ3 LYS A 485 14.969 2.579 -34.694 1.00 75.43 H new ATOM 1125 N LEU A 486 20.437 5.529 -30.683 1.00 22.11 N ATOM 1126 CA LEU A 486 21.523 6.483 -30.491 1.00 43.03 C ATOM 1127 C LEU A 486 21.021 7.917 -30.630 1.00 12.11 C ATOM 1128 O LEU A 486 21.794 8.832 -30.907 1.00 50.22 O ATOM 1129 CB LEU A 486 22.642 6.223 -31.502 1.00 75.52 C ATOM 1130 CG LEU A 486 24.063 6.205 -30.942 1.00 13.44 C ATOM 1131 CD1 LEU A 486 24.333 4.896 -30.215 1.00 23.21 C ATOM 1132 CD2 LEU A 486 25.079 6.418 -32.055 1.00 12.42 C ATOM 0 H LEU A 486 20.247 5.297 -31.658 1.00 22.11 H new ATOM 0 HA LEU A 486 21.914 6.351 -29.482 1.00 43.03 H new ATOM 0 HB2 LEU A 486 22.452 5.265 -31.985 1.00 75.52 H new ATOM 0 HB3 LEU A 486 22.588 6.987 -32.277 1.00 75.52 H new ATOM 0 HG LEU A 486 24.161 7.022 -30.227 1.00 13.44 H new ATOM 0 HD11 LEU A 486 25.350 4.901 -29.823 1.00 23.21 H new ATOM 0 HD12 LEU A 486 23.627 4.785 -29.392 1.00 23.21 H new ATOM 0 HD13 LEU A 486 24.216 4.064 -30.909 1.00 23.21 H new ATOM 0 HD21 LEU A 486 26.085 6.402 -31.637 1.00 12.42 H new ATOM 0 HD22 LEU A 486 24.981 5.623 -32.794 1.00 12.42 H new ATOM 0 HD23 LEU A 486 24.900 7.382 -32.532 1.00 12.42 H new ATOM 1144 N ALA A 487 19.719 8.103 -30.433 1.00 62.54 N ATOM 1145 CA ALA A 487 19.113 9.425 -30.532 1.00 21.32 C ATOM 1146 C ALA A 487 19.678 10.368 -29.475 1.00 51.21 C ATOM 1147 O ALA A 487 19.609 11.588 -29.617 1.00 3.30 O ATOM 1148 CB ALA A 487 17.601 9.325 -30.399 1.00 22.43 C ATOM 0 H ALA A 487 19.065 7.355 -30.204 1.00 62.54 H new ATOM 0 HA ALA A 487 19.353 9.835 -31.513 1.00 21.32 H new ATOM 0 HB1 ALA A 487 17.162 10.320 -30.475 1.00 22.43 H new ATOM 0 HB2 ALA A 487 17.207 8.693 -31.195 1.00 22.43 H new ATOM 0 HB3 ALA A 487 17.349 8.890 -29.432 1.00 22.43 H new ATOM 1154 N ALA A 488 20.235 9.794 -28.413 1.00 22.53 N ATOM 1155 CA ALA A 488 20.813 10.584 -27.334 1.00 13.35 C ATOM 1156 C ALA A 488 21.813 11.601 -27.870 1.00 62.34 C ATOM 1157 O ALA A 488 22.000 12.670 -27.288 1.00 73.40 O ATOM 1158 CB ALA A 488 21.481 9.673 -26.313 1.00 12.11 C ATOM 0 H ALA A 488 20.298 8.785 -28.278 1.00 22.53 H new ATOM 0 HA ALA A 488 20.006 11.131 -26.846 1.00 13.35 H new ATOM 0 HB1 ALA A 488 21.909 10.276 -25.512 1.00 12.11 H new ATOM 0 HB2 ALA A 488 20.741 8.989 -25.897 1.00 12.11 H new ATOM 0 HB3 ALA A 488 22.272 9.101 -26.798 1.00 12.11 H new ATOM 1164 N ALA A 489 22.453 11.264 -28.985 1.00 21.34 N ATOM 1165 CA ALA A 489 23.433 12.149 -29.601 1.00 64.42 C ATOM 1166 C ALA A 489 22.818 13.505 -29.930 1.00 52.42 C ATOM 1167 O ALA A 489 23.510 14.525 -29.949 1.00 14.44 O ATOM 1168 CB ALA A 489 24.006 11.509 -30.858 1.00 4.34 C ATOM 0 H ALA A 489 22.310 10.384 -29.480 1.00 21.34 H new ATOM 0 HA ALA A 489 24.241 12.309 -28.887 1.00 64.42 H new ATOM 0 HB1 ALA A 489 24.737 12.181 -31.308 1.00 4.34 H new ATOM 0 HB2 ALA A 489 24.490 10.568 -30.599 1.00 4.34 H new ATOM 0 HB3 ALA A 489 23.202 11.319 -31.569 1.00 4.34 H new ATOM 1174 N LEU A 490 21.516 13.511 -30.189 1.00 75.44 N ATOM 1175 CA LEU A 490 20.806 14.743 -30.518 1.00 12.42 C ATOM 1176 C LEU A 490 20.514 15.555 -29.260 1.00 50.14 C ATOM 1177 O LEU A 490 20.463 16.783 -29.303 1.00 53.53 O ATOM 1178 CB LEU A 490 19.499 14.423 -31.246 1.00 25.41 C ATOM 1179 CG LEU A 490 19.472 14.737 -32.743 1.00 52.34 C ATOM 1180 CD1 LEU A 490 20.603 14.017 -33.461 1.00 53.23 C ATOM 1181 CD2 LEU A 490 18.127 14.355 -33.344 1.00 52.55 C ATOM 0 H LEU A 490 20.929 12.677 -30.178 1.00 75.44 H new ATOM 0 HA LEU A 490 21.444 15.337 -31.173 1.00 12.42 H new ATOM 0 HB2 LEU A 490 19.282 13.363 -31.113 1.00 25.41 H new ATOM 0 HB3 LEU A 490 18.693 14.976 -30.764 1.00 25.41 H new ATOM 0 HG LEU A 490 19.613 15.810 -32.872 1.00 52.34 H new ATOM 0 HD11 LEU A 490 20.567 14.253 -34.525 1.00 53.23 H new ATOM 0 HD12 LEU A 490 21.559 14.340 -33.050 1.00 53.23 H new ATOM 0 HD13 LEU A 490 20.494 12.941 -33.324 1.00 53.23 H new ATOM 0 HD21 LEU A 490 18.126 14.585 -34.409 1.00 52.55 H new ATOM 0 HD22 LEU A 490 17.956 13.288 -33.203 1.00 52.55 H new ATOM 0 HD23 LEU A 490 17.335 14.918 -32.850 1.00 52.55 H new ATOM 1193 N GLU A 491 20.326 14.860 -28.143 1.00 73.34 N ATOM 1194 CA GLU A 491 20.040 15.518 -26.873 1.00 25.35 C ATOM 1195 C GLU A 491 21.180 16.453 -26.478 1.00 73.13 C ATOM 1196 O GLU A 491 20.974 17.428 -25.754 1.00 13.12 O ATOM 1197 CB GLU A 491 19.814 14.478 -25.773 1.00 25.41 C ATOM 1198 CG GLU A 491 18.952 14.980 -24.628 1.00 61.31 C ATOM 1199 CD GLU A 491 19.755 15.712 -23.571 1.00 51.51 C ATOM 1200 OE1 GLU A 491 20.914 15.316 -23.327 1.00 5.43 O ATOM 1201 OE2 GLU A 491 19.225 16.681 -22.987 1.00 23.43 O ATOM 0 H GLU A 491 20.366 13.842 -28.091 1.00 73.34 H new ATOM 0 HA GLU A 491 19.132 16.109 -26.995 1.00 25.35 H new ATOM 0 HB2 GLU A 491 19.345 13.596 -26.210 1.00 25.41 H new ATOM 0 HB3 GLU A 491 20.780 14.163 -25.378 1.00 25.41 H new ATOM 0 HG2 GLU A 491 18.184 15.646 -25.021 1.00 61.31 H new ATOM 0 HG3 GLU A 491 18.437 14.136 -24.168 1.00 61.31 H new ATOM 1208 N HIS A 492 22.381 16.150 -26.958 1.00 13.41 N ATOM 1209 CA HIS A 492 23.554 16.963 -26.655 1.00 52.33 C ATOM 1210 C HIS A 492 23.300 18.428 -26.994 1.00 43.52 C ATOM 1211 O HIS A 492 23.874 19.327 -26.378 1.00 0.32 O ATOM 1212 CB HIS A 492 24.768 16.451 -27.429 1.00 1.33 C ATOM 1213 CG HIS A 492 26.063 16.627 -26.696 1.00 1.42 C ATOM 1214 ND1 HIS A 492 26.334 17.718 -25.898 1.00 63.14 N ATOM 1215 CD2 HIS A 492 27.163 15.841 -26.641 1.00 35.45 C ATOM 1216 CE1 HIS A 492 27.545 17.598 -25.386 1.00 22.35 C ATOM 1217 NE2 HIS A 492 28.070 16.466 -25.821 1.00 20.40 N ATOM 0 H HIS A 492 22.568 15.347 -27.559 1.00 13.41 H new ATOM 0 HA HIS A 492 23.755 16.885 -25.587 1.00 52.33 H new ATOM 0 HB2 HIS A 492 24.627 15.393 -27.652 1.00 1.33 H new ATOM 0 HB3 HIS A 492 24.827 16.973 -28.384 1.00 1.33 H new ATOM 0 HD1 HIS A 492 25.698 18.497 -25.729 1.00 63.14 H new ATOM 0 HD2 HIS A 492 27.302 14.897 -27.148 1.00 35.45 H new ATOM 0 HE1 HIS A 492 28.025 18.304 -24.725 1.00 22.35 H new ATOM 1225 N HIS A 493 22.437 18.663 -27.977 1.00 62.20 N ATOM 1226 CA HIS A 493 22.107 20.021 -28.398 1.00 2.25 C ATOM 1227 C HIS A 493 20.803 20.042 -29.189 1.00 43.25 C ATOM 1228 O HIS A 493 20.736 20.613 -30.279 1.00 12.23 O ATOM 1229 CB HIS A 493 23.240 20.604 -29.243 1.00 32.34 C ATOM 1230 CG HIS A 493 23.153 22.089 -29.420 1.00 54.34 C ATOM 1231 ND1 HIS A 493 23.771 22.762 -30.452 1.00 11.14 N ATOM 1232 CD2 HIS A 493 22.511 23.031 -28.689 1.00 21.41 C ATOM 1233 CE1 HIS A 493 23.517 24.054 -30.348 1.00 52.33 C ATOM 1234 NE2 HIS A 493 22.754 24.243 -29.286 1.00 41.24 N ATOM 0 H HIS A 493 21.953 17.931 -28.497 1.00 62.20 H new ATOM 0 HA HIS A 493 21.979 20.632 -27.505 1.00 2.25 H new ATOM 0 HB2 HIS A 493 24.194 20.357 -28.777 1.00 32.34 H new ATOM 0 HB3 HIS A 493 23.232 20.128 -30.224 1.00 32.34 H new ATOM 0 HD2 HIS A 493 21.919 22.861 -27.802 1.00 21.41 H new ATOM 0 HE1 HIS A 493 23.872 24.824 -31.017 1.00 52.33 H new ATOM 0 HE2 HIS A 493 22.402 25.144 -28.962 1.00 41.24 H new ATOM 1242 N HIS A 494 19.769 19.419 -28.634 1.00 42.11 N ATOM 1243 CA HIS A 494 18.466 19.368 -29.287 1.00 20.54 C ATOM 1244 C HIS A 494 17.437 18.680 -28.395 1.00 42.21 C ATOM 1245 O HIS A 494 17.767 18.189 -27.315 1.00 34.52 O ATOM 1246 CB HIS A 494 18.572 18.632 -30.623 1.00 74.34 C ATOM 1247 CG HIS A 494 17.642 19.159 -31.672 1.00 62.45 C ATOM 1248 ND1 HIS A 494 16.996 18.349 -32.582 1.00 21.04 N ATOM 1249 CD2 HIS A 494 17.249 20.423 -31.953 1.00 40.43 C ATOM 1250 CE1 HIS A 494 16.247 19.092 -33.378 1.00 5.42 C ATOM 1251 NE2 HIS A 494 16.382 20.355 -33.016 1.00 24.23 N ATOM 0 H HIS A 494 19.808 18.942 -27.733 1.00 42.11 H new ATOM 0 HA HIS A 494 18.137 20.391 -29.468 1.00 20.54 H new ATOM 0 HB2 HIS A 494 19.597 18.704 -30.988 1.00 74.34 H new ATOM 0 HB3 HIS A 494 18.364 17.574 -30.463 1.00 74.34 H new ATOM 0 HD2 HIS A 494 17.560 21.319 -31.437 1.00 40.43 H new ATOM 0 HE1 HIS A 494 15.630 18.728 -34.186 1.00 5.42 H new ATOM 0 HE2 HIS A 494 15.918 21.150 -33.455 1.00 24.23 H new ATOM 1259 N HIS A 495 16.190 18.651 -28.852 1.00 73.31 N ATOM 1260 CA HIS A 495 15.112 18.023 -28.095 1.00 41.34 C ATOM 1261 C HIS A 495 13.836 17.948 -28.927 1.00 21.44 C ATOM 1262 O HIS A 495 13.511 18.875 -29.670 1.00 71.03 O ATOM 1263 CB HIS A 495 14.848 18.800 -26.806 1.00 3.55 C ATOM 1264 CG HIS A 495 14.863 17.943 -25.577 1.00 41.22 C ATOM 1265 ND1 HIS A 495 15.241 18.413 -24.336 1.00 34.33 N ATOM 1266 CD2 HIS A 495 14.540 16.640 -25.402 1.00 42.33 C ATOM 1267 CE1 HIS A 495 15.153 17.435 -23.453 1.00 33.11 C ATOM 1268 NE2 HIS A 495 14.729 16.349 -24.073 1.00 21.30 N ATOM 0 H HIS A 495 15.900 19.055 -29.743 1.00 73.31 H new ATOM 0 HA HIS A 495 15.421 17.008 -27.843 1.00 41.34 H new ATOM 0 HB2 HIS A 495 15.600 19.583 -26.703 1.00 3.55 H new ATOM 0 HB3 HIS A 495 13.880 19.296 -26.882 1.00 3.55 H new ATOM 0 HD2 HIS A 495 14.198 15.957 -26.165 1.00 42.33 H new ATOM 0 HE1 HIS A 495 15.388 17.511 -22.402 1.00 33.11 H new ATOM 0 HE2 HIS A 495 14.568 15.442 -23.636 1.00 21.30 H new ATOM 1276 N HIS A 496 13.116 16.837 -28.799 1.00 21.22 N ATOM 1277 CA HIS A 496 11.875 16.640 -29.540 1.00 45.04 C ATOM 1278 C HIS A 496 11.150 15.386 -29.062 1.00 71.32 C ATOM 1279 O HIS A 496 11.763 14.480 -28.497 1.00 51.32 O ATOM 1280 CB HIS A 496 12.162 16.538 -31.039 1.00 12.30 C ATOM 1281 CG HIS A 496 13.078 15.409 -31.397 1.00 61.14 C ATOM 1282 ND1 HIS A 496 12.658 14.288 -32.082 1.00 71.01 N ATOM 1283 CD2 HIS A 496 14.400 15.233 -31.164 1.00 32.32 C ATOM 1284 CE1 HIS A 496 13.681 13.471 -32.253 1.00 12.13 C ATOM 1285 NE2 HIS A 496 14.750 14.021 -31.706 1.00 13.54 N ATOM 0 H HIS A 496 13.371 16.060 -28.189 1.00 21.22 H new ATOM 0 HA HIS A 496 11.232 17.501 -29.359 1.00 45.04 H new ATOM 0 HB2 HIS A 496 11.220 16.414 -31.573 1.00 12.30 H new ATOM 0 HB3 HIS A 496 12.602 17.475 -31.381 1.00 12.30 H new ATOM 0 HD2 HIS A 496 15.057 15.918 -30.648 1.00 32.32 H new ATOM 0 HE1 HIS A 496 13.649 12.515 -32.755 1.00 12.13 H new ATOM 0 HE2 HIS A 496 15.684 13.612 -31.689 1.00 13.54 H new ATOM 1293 N HIS A 497 9.842 15.341 -29.291 1.00 62.34 N ATOM 1294 CA HIS A 497 9.033 14.198 -28.884 1.00 11.23 C ATOM 1295 C HIS A 497 8.774 13.267 -30.065 1.00 12.15 C ATOM 1296 O HIS A 497 7.941 13.555 -30.924 1.00 20.12 O ATOM 1297 CB HIS A 497 7.705 14.671 -28.292 1.00 20.35 C ATOM 1298 CG HIS A 497 7.823 15.184 -26.890 1.00 12.13 C ATOM 1299 ND1 HIS A 497 7.401 16.441 -26.511 1.00 0.31 N ATOM 1300 CD2 HIS A 497 8.317 14.601 -25.772 1.00 63.44 C ATOM 1301 CE1 HIS A 497 7.633 16.610 -25.222 1.00 13.21 C ATOM 1302 NE2 HIS A 497 8.187 15.508 -24.749 1.00 23.14 N ATOM 0 H HIS A 497 9.319 16.083 -29.756 1.00 62.34 H new ATOM 0 HA HIS A 497 9.585 13.646 -28.123 1.00 11.23 H new ATOM 0 HB2 HIS A 497 7.294 15.458 -28.925 1.00 20.35 H new ATOM 0 HB3 HIS A 497 6.994 13.845 -28.309 1.00 20.35 H new ATOM 0 HD2 HIS A 497 8.735 13.608 -25.699 1.00 63.44 H new ATOM 0 HE1 HIS A 497 7.408 17.499 -24.651 1.00 13.21 H new ATOM 0 HE2 HIS A 497 8.472 15.356 -23.782 1.00 23.14 H new TER 1310 HIS A 497