USER MOD reduce.3.24.130724 H: found=0, std=0, add=798, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 798 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 32 THR OG1 : rot 121:sc= 1 USER MOD Set 1.2: A 34 LYS NZ :NH3+ -113:sc= 1.9 (180deg=-1.1) USER MOD Set 2.1: A 26 ASN : amide:sc= -0.363 K(o=0.28,f=-4.3!) USER MOD Set 2.2: A 84 ASN : amide:sc= 0.647 K(o=0.28,f=-8.3!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= -0.752 K(o=-0.75,f=-0.009) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 176:sc= 0.662 (180deg=0.652) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot -158:sc= 0.63 USER MOD Single : A 42 ASN : amide:sc= -0.312 X(o=-0.31,f=-0.4) USER MOD Single : A 46 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 HIS : no HD1:sc= -0.0826 X(o=-0.083,f=-0.18) USER MOD Single : A 56 ASN : amide:sc= -0.238 K(o=-0.24,f=-0.77) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot -47:sc= 1.19 USER MOD Single : A 67 ASN : amide:sc= -4.02! K(o=-4!,f=-0.66) USER MOD Single : A 70 ASN : amide:sc= -1.33 K(o=-1.3,f=-2.5!) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= -0.768 USER MOD Single : A 79 GLN : amide:sc=-0.00462 X(o=-0.0046,f=-0.16) USER MOD Single : A 93 HIS : no HD1:sc= -0.855 X(o=-0.85,f=-0.57) USER MOD Single : A 94 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 95 HIS : no HD1:sc= -0.502 K(o=-0.5,f=-1.8) USER MOD Single : A 96 HIS : no HD1:sc= -0.424 K(o=-0.42,f=-2) USER MOD Single : A 97 HIS : no HE2:sc= -0.456 K(o=-0.46,f=-2.1!) USER MOD Single : A 98 HIS : no HD1:sc= -0.062 X(o=-0.062,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -33.296 8.654 -22.112 1.00 3.25 N ATOM 2 CA GLY A 1 -33.936 8.738 -23.457 1.00 12.12 C ATOM 3 C GLY A 1 -32.997 9.272 -24.536 1.00 35.23 C ATOM 4 O GLY A 1 -32.974 10.470 -24.807 1.00 4.14 O ATOM 0 H1 GLY A 1 -33.982 8.285 -21.423 1.00 3.25 H new ATOM 0 H2 GLY A 1 -32.475 8.017 -22.157 1.00 3.25 H new ATOM 0 H3 GLY A 1 -32.984 9.601 -21.816 1.00 3.25 H new ATOM 0 HA2 GLY A 1 -34.288 7.748 -23.748 1.00 12.12 H new ATOM 0 HA3 GLY A 1 -34.813 9.383 -23.396 1.00 12.12 H new ATOM 10 N ASP A 2 -32.240 8.381 -25.175 1.00 71.14 N ATOM 11 CA ASP A 2 -31.248 8.784 -26.182 1.00 25.23 C ATOM 12 C ASP A 2 -31.894 9.122 -27.542 1.00 63.31 C ATOM 13 O ASP A 2 -31.765 8.371 -28.510 1.00 70.44 O ATOM 14 CB ASP A 2 -30.197 7.681 -26.359 1.00 33.34 C ATOM 15 CG ASP A 2 -29.440 7.388 -25.077 1.00 33.33 C ATOM 16 OD1 ASP A 2 -29.909 6.553 -24.279 1.00 53.43 O ATOM 17 OD2 ASP A 2 -28.370 7.998 -24.860 1.00 13.10 O ATOM 0 H ASP A 2 -32.292 7.375 -25.016 1.00 71.14 H new ATOM 0 HA ASP A 2 -30.769 9.692 -25.816 1.00 25.23 H new ATOM 0 HB2 ASP A 2 -30.686 6.770 -26.705 1.00 33.34 H new ATOM 0 HB3 ASP A 2 -29.491 7.978 -27.134 1.00 33.34 H new ATOM 22 N ARG A 3 -32.602 10.246 -27.602 1.00 4.21 N ATOM 23 CA ARG A 3 -33.135 10.767 -28.869 1.00 40.23 C ATOM 24 C ARG A 3 -33.288 12.294 -28.807 1.00 64.04 C ATOM 25 O ARG A 3 -34.338 12.815 -28.435 1.00 13.31 O ATOM 26 CB ARG A 3 -34.471 10.095 -29.265 1.00 41.02 C ATOM 27 CG ARG A 3 -35.594 10.186 -28.226 1.00 41.02 C ATOM 28 CD ARG A 3 -35.440 9.159 -27.112 1.00 1.22 C ATOM 29 NE ARG A 3 -36.509 9.262 -26.121 1.00 3.52 N ATOM 30 CZ ARG A 3 -36.879 8.287 -25.341 1.00 53.13 C ATOM 31 NH1 ARG A 3 -36.333 7.118 -25.441 1.00 31.33 N ATOM 32 NH2 ARG A 3 -37.809 8.475 -24.471 1.00 3.25 N ATOM 0 H ARG A 3 -32.824 10.819 -26.788 1.00 4.21 H new ATOM 0 HA ARG A 3 -32.412 10.520 -29.647 1.00 40.23 H new ATOM 0 HB2 ARG A 3 -34.822 10.546 -30.193 1.00 41.02 H new ATOM 0 HB3 ARG A 3 -34.279 9.043 -29.474 1.00 41.02 H new ATOM 0 HG2 ARG A 3 -35.606 11.187 -27.794 1.00 41.02 H new ATOM 0 HG3 ARG A 3 -36.555 10.041 -28.720 1.00 41.02 H new ATOM 0 HD2 ARG A 3 -35.438 8.157 -27.541 1.00 1.22 H new ATOM 0 HD3 ARG A 3 -34.476 9.298 -26.622 1.00 1.22 H new ATOM 0 HE ARG A 3 -36.996 10.154 -26.035 1.00 3.52 H new ATOM 0 HH11 ARG A 3 -35.605 6.953 -26.136 1.00 31.33 H new ATOM 0 HH12 ARG A 3 -36.631 6.362 -24.825 1.00 31.33 H new ATOM 0 HH21 ARG A 3 -38.257 9.388 -24.392 1.00 3.25 H new ATOM 0 HH22 ARG A 3 -38.098 7.711 -23.860 1.00 3.25 H new ATOM 46 N ARG A 4 -32.211 12.997 -29.158 1.00 32.13 N ATOM 47 CA ARG A 4 -32.171 14.466 -29.120 1.00 33.30 C ATOM 48 C ARG A 4 -32.419 15.016 -27.702 1.00 62.31 C ATOM 49 O ARG A 4 -33.553 15.306 -27.315 1.00 53.00 O ATOM 50 CB ARG A 4 -33.173 15.076 -30.113 1.00 32.35 C ATOM 51 CG ARG A 4 -32.937 14.657 -31.562 1.00 55.32 C ATOM 52 CD ARG A 4 -33.823 15.433 -32.530 1.00 13.41 C ATOM 53 NE ARG A 4 -35.250 15.207 -32.291 1.00 74.53 N ATOM 54 CZ ARG A 4 -36.123 16.157 -32.088 1.00 24.24 C ATOM 55 NH1 ARG A 4 -35.743 17.391 -32.007 1.00 34.04 N ATOM 56 NH2 ARG A 4 -37.374 15.865 -31.957 1.00 11.52 N ATOM 0 H ARG A 4 -31.342 12.569 -29.477 1.00 32.13 H new ATOM 0 HA ARG A 4 -31.164 14.760 -29.417 1.00 33.30 H new ATOM 0 HB2 ARG A 4 -34.182 14.786 -29.821 1.00 32.35 H new ATOM 0 HB3 ARG A 4 -33.121 16.163 -30.046 1.00 32.35 H new ATOM 0 HG2 ARG A 4 -31.890 14.817 -31.820 1.00 55.32 H new ATOM 0 HG3 ARG A 4 -33.132 13.590 -31.668 1.00 55.32 H new ATOM 0 HD2 ARG A 4 -33.607 16.498 -32.440 1.00 13.41 H new ATOM 0 HD3 ARG A 4 -33.579 15.143 -33.552 1.00 13.41 H new ATOM 0 HE ARG A 4 -35.584 14.243 -32.283 1.00 74.53 H new ATOM 0 HH11 ARG A 4 -34.755 17.628 -32.102 1.00 34.04 H new ATOM 0 HH12 ARG A 4 -36.431 18.127 -31.848 1.00 34.04 H new ATOM 0 HH21 ARG A 4 -37.679 14.893 -32.012 1.00 11.52 H new ATOM 0 HH22 ARG A 4 -38.057 16.606 -31.798 1.00 11.52 H new ATOM 70 N VAL A 5 -31.343 15.133 -26.928 1.00 51.33 N ATOM 71 CA VAL A 5 -31.404 15.689 -25.571 1.00 53.11 C ATOM 72 C VAL A 5 -30.681 17.044 -25.495 1.00 24.25 C ATOM 73 O VAL A 5 -30.170 17.543 -26.502 1.00 74.42 O ATOM 74 CB VAL A 5 -30.776 14.714 -24.538 1.00 23.25 C ATOM 75 CG1 VAL A 5 -31.541 13.393 -24.508 1.00 53.01 C ATOM 76 CG2 VAL A 5 -29.295 14.478 -24.838 1.00 40.24 C ATOM 0 H VAL A 5 -30.407 14.848 -27.218 1.00 51.33 H new ATOM 0 HA VAL A 5 -32.457 15.833 -25.330 1.00 53.11 H new ATOM 0 HB VAL A 5 -30.850 15.173 -23.552 1.00 23.25 H new ATOM 0 HG11 VAL A 5 -31.084 12.725 -23.778 1.00 53.01 H new ATOM 0 HG12 VAL A 5 -32.578 13.580 -24.230 1.00 53.01 H new ATOM 0 HG13 VAL A 5 -31.507 12.930 -25.494 1.00 53.01 H new ATOM 0 HG21 VAL A 5 -28.879 13.792 -24.100 1.00 40.24 H new ATOM 0 HG22 VAL A 5 -29.190 14.048 -25.834 1.00 40.24 H new ATOM 0 HG23 VAL A 5 -28.759 15.426 -24.794 1.00 40.24 H new ATOM 86 N ARG A 6 -30.634 17.632 -24.297 1.00 11.13 N ATOM 87 CA ARG A 6 -29.952 18.919 -24.094 1.00 21.33 C ATOM 88 C ARG A 6 -28.468 18.840 -24.503 1.00 4.54 C ATOM 89 O ARG A 6 -27.726 17.969 -24.035 1.00 62.34 O ATOM 90 CB ARG A 6 -30.078 19.361 -22.627 1.00 34.53 C ATOM 91 CG ARG A 6 -31.525 19.464 -22.148 1.00 62.53 C ATOM 92 CD ARG A 6 -31.623 19.922 -20.695 1.00 31.42 C ATOM 93 NE ARG A 6 -31.124 21.286 -20.515 1.00 24.41 N ATOM 94 CZ ARG A 6 -31.596 22.135 -19.642 1.00 63.21 C ATOM 95 NH1 ARG A 6 -32.571 21.810 -18.855 1.00 14.11 N ATOM 96 NH2 ARG A 6 -31.095 23.322 -19.566 1.00 53.45 N ATOM 0 H ARG A 6 -31.057 17.242 -23.455 1.00 11.13 H new ATOM 0 HA ARG A 6 -30.435 19.659 -24.732 1.00 21.33 H new ATOM 0 HB2 ARG A 6 -29.543 18.653 -21.994 1.00 34.53 H new ATOM 0 HB3 ARG A 6 -29.592 20.329 -22.504 1.00 34.53 H new ATOM 0 HG2 ARG A 6 -32.067 20.163 -22.784 1.00 62.53 H new ATOM 0 HG3 ARG A 6 -32.011 18.494 -22.254 1.00 62.53 H new ATOM 0 HD2 ARG A 6 -32.661 19.870 -20.368 1.00 31.42 H new ATOM 0 HD3 ARG A 6 -31.054 19.241 -20.061 1.00 31.42 H new ATOM 0 HE ARG A 6 -30.356 21.594 -21.111 1.00 24.41 H new ATOM 0 HH11 ARG A 6 -32.983 20.878 -18.911 1.00 14.11 H new ATOM 0 HH12 ARG A 6 -32.927 22.485 -18.179 1.00 14.11 H new ATOM 0 HH21 ARG A 6 -30.333 23.595 -20.187 1.00 53.45 H new ATOM 0 HH22 ARG A 6 -31.461 23.988 -18.885 1.00 53.45 H new ATOM 110 N LEU A 7 -28.037 19.767 -25.360 1.00 73.15 N ATOM 111 CA LEU A 7 -26.693 19.723 -25.957 1.00 10.14 C ATOM 112 C LEU A 7 -25.638 20.340 -25.015 1.00 52.04 C ATOM 113 O LEU A 7 -24.852 21.207 -25.408 1.00 24.42 O ATOM 114 CB LEU A 7 -26.703 20.450 -27.321 1.00 32.41 C ATOM 115 CG LEU A 7 -25.828 19.824 -28.433 1.00 54.41 C ATOM 116 CD1 LEU A 7 -25.999 20.591 -29.743 1.00 73.13 C ATOM 117 CD2 LEU A 7 -24.352 19.771 -28.029 1.00 64.55 C ATOM 0 H LEU A 7 -28.600 20.563 -25.660 1.00 73.15 H new ATOM 0 HA LEU A 7 -26.419 18.679 -26.112 1.00 10.14 H new ATOM 0 HB2 LEU A 7 -27.732 20.495 -27.678 1.00 32.41 H new ATOM 0 HB3 LEU A 7 -26.375 21.478 -27.164 1.00 32.41 H new ATOM 0 HG LEU A 7 -26.165 18.798 -28.580 1.00 54.41 H new ATOM 0 HD11 LEU A 7 -25.377 20.137 -30.514 1.00 73.13 H new ATOM 0 HD12 LEU A 7 -27.044 20.555 -30.052 1.00 73.13 H new ATOM 0 HD13 LEU A 7 -25.699 21.629 -29.599 1.00 73.13 H new ATOM 0 HD21 LEU A 7 -23.770 19.325 -28.835 1.00 64.55 H new ATOM 0 HD22 LEU A 7 -23.991 20.781 -27.836 1.00 64.55 H new ATOM 0 HD23 LEU A 7 -24.243 19.169 -27.127 1.00 64.55 H new ATOM 129 N ILE A 8 -25.637 19.896 -23.763 1.00 64.35 N ATOM 130 CA ILE A 8 -24.584 20.260 -22.812 1.00 62.12 C ATOM 131 C ILE A 8 -23.342 19.374 -23.027 1.00 31.42 C ATOM 132 O ILE A 8 -23.470 18.182 -23.321 1.00 33.42 O ATOM 133 CB ILE A 8 -25.084 20.142 -21.344 1.00 73.41 C ATOM 134 CG1 ILE A 8 -23.947 20.443 -20.348 1.00 72.33 C ATOM 135 CG2 ILE A 8 -25.688 18.763 -21.089 1.00 62.32 C ATOM 136 CD1 ILE A 8 -24.375 20.399 -18.895 1.00 35.55 C ATOM 0 H ILE A 8 -26.355 19.281 -23.379 1.00 64.35 H new ATOM 0 HA ILE A 8 -24.313 21.300 -22.991 1.00 62.12 H new ATOM 0 HB ILE A 8 -25.865 20.886 -21.190 1.00 73.41 H new ATOM 0 HG12 ILE A 8 -23.143 19.723 -20.502 1.00 72.33 H new ATOM 0 HG13 ILE A 8 -23.538 21.429 -20.566 1.00 72.33 H new ATOM 0 HG21 ILE A 8 -26.031 18.702 -20.056 1.00 62.32 H new ATOM 0 HG22 ILE A 8 -26.531 18.605 -21.762 1.00 62.32 H new ATOM 0 HG23 ILE A 8 -24.933 17.997 -21.267 1.00 62.32 H new ATOM 0 HD11 ILE A 8 -23.520 20.621 -18.257 1.00 35.55 H new ATOM 0 HD12 ILE A 8 -25.157 21.138 -18.724 1.00 35.55 H new ATOM 0 HD13 ILE A 8 -24.756 19.406 -18.658 1.00 35.55 H new ATOM 148 N ARG A 9 -22.149 19.965 -22.901 1.00 41.42 N ATOM 149 CA ARG A 9 -20.885 19.246 -23.148 1.00 32.20 C ATOM 150 C ARG A 9 -20.773 17.941 -22.336 1.00 43.30 C ATOM 151 O ARG A 9 -21.496 17.727 -21.356 1.00 72.33 O ATOM 152 CB ARG A 9 -19.679 20.151 -22.843 1.00 30.14 C ATOM 153 CG ARG A 9 -19.635 20.670 -21.410 1.00 64.43 C ATOM 154 CD ARG A 9 -18.336 21.417 -21.111 1.00 75.55 C ATOM 155 NE ARG A 9 -18.080 22.512 -22.051 1.00 15.20 N ATOM 156 CZ ARG A 9 -17.075 23.345 -21.947 1.00 5.31 C ATOM 157 NH1 ARG A 9 -16.252 23.266 -20.953 1.00 32.31 N ATOM 158 NH2 ARG A 9 -16.895 24.262 -22.837 1.00 25.33 N ATOM 0 H ARG A 9 -22.028 20.941 -22.629 1.00 41.42 H new ATOM 0 HA ARG A 9 -20.885 18.975 -24.204 1.00 32.20 H new ATOM 0 HB2 ARG A 9 -18.762 19.597 -23.045 1.00 30.14 H new ATOM 0 HB3 ARG A 9 -19.695 21.001 -23.525 1.00 30.14 H new ATOM 0 HG2 ARG A 9 -20.482 21.334 -21.239 1.00 64.43 H new ATOM 0 HG3 ARG A 9 -19.740 19.834 -20.718 1.00 64.43 H new ATOM 0 HD2 ARG A 9 -18.377 21.817 -20.098 1.00 75.55 H new ATOM 0 HD3 ARG A 9 -17.503 20.715 -21.143 1.00 75.55 H new ATOM 0 HE ARG A 9 -18.723 22.632 -22.833 1.00 15.20 H new ATOM 0 HH11 ARG A 9 -16.382 22.549 -20.239 1.00 32.31 H new ATOM 0 HH12 ARG A 9 -15.473 23.920 -20.883 1.00 32.31 H new ATOM 0 HH21 ARG A 9 -17.537 24.340 -23.626 1.00 25.33 H new ATOM 0 HH22 ARG A 9 -16.111 24.909 -22.752 1.00 25.33 H new ATOM 172 N THR A 10 -19.853 17.074 -22.757 1.00 11.52 N ATOM 173 CA THR A 10 -19.655 15.765 -22.120 1.00 70.12 C ATOM 174 C THR A 10 -19.218 15.891 -20.652 1.00 13.24 C ATOM 175 O THR A 10 -18.535 16.844 -20.265 1.00 25.05 O ATOM 176 CB THR A 10 -18.604 14.919 -22.877 1.00 3.35 C ATOM 177 OG1 THR A 10 -17.326 15.574 -22.856 1.00 11.22 O ATOM 178 CG2 THR A 10 -19.031 14.681 -24.323 1.00 65.23 C ATOM 0 H THR A 10 -19.227 17.253 -23.542 1.00 11.52 H new ATOM 0 HA THR A 10 -20.624 15.267 -22.158 1.00 70.12 H new ATOM 0 HB THR A 10 -18.525 13.956 -22.373 1.00 3.35 H new ATOM 0 HG1 THR A 10 -16.670 15.027 -23.337 1.00 11.22 H new ATOM 0 HG21 THR A 10 -18.274 14.084 -24.832 1.00 65.23 H new ATOM 0 HG22 THR A 10 -19.983 14.150 -24.339 1.00 65.23 H new ATOM 0 HG23 THR A 10 -19.141 15.638 -24.832 1.00 65.23 H new ATOM 186 N ARG A 11 -19.618 14.917 -19.836 1.00 74.22 N ATOM 187 CA ARG A 11 -19.290 14.906 -18.406 1.00 71.34 C ATOM 188 C ARG A 11 -18.606 13.587 -18.007 1.00 10.21 C ATOM 189 O ARG A 11 -18.338 12.737 -18.858 1.00 44.43 O ATOM 190 CB ARG A 11 -20.570 15.120 -17.586 1.00 4.20 C ATOM 191 CG ARG A 11 -21.597 13.995 -17.726 1.00 64.10 C ATOM 192 CD ARG A 11 -22.958 14.399 -17.166 1.00 51.43 C ATOM 193 NE ARG A 11 -23.578 15.458 -17.959 1.00 23.00 N ATOM 194 CZ ARG A 11 -24.587 16.185 -17.567 1.00 43.22 C ATOM 195 NH1 ARG A 11 -25.074 16.061 -16.374 1.00 20.21 N ATOM 196 NH2 ARG A 11 -25.096 17.052 -18.377 1.00 55.42 N ATOM 0 H ARG A 11 -20.174 14.118 -20.141 1.00 74.22 H new ATOM 0 HA ARG A 11 -18.591 15.716 -18.199 1.00 71.34 H new ATOM 0 HB2 ARG A 11 -20.302 15.224 -16.535 1.00 4.20 H new ATOM 0 HB3 ARG A 11 -21.032 16.059 -17.892 1.00 4.20 H new ATOM 0 HG2 ARG A 11 -21.701 13.727 -18.777 1.00 64.10 H new ATOM 0 HG3 ARG A 11 -21.238 13.108 -17.205 1.00 64.10 H new ATOM 0 HD2 ARG A 11 -23.615 13.529 -17.144 1.00 51.43 H new ATOM 0 HD3 ARG A 11 -22.842 14.737 -16.136 1.00 51.43 H new ATOM 0 HE ARG A 11 -23.194 15.642 -18.886 1.00 23.00 H new ATOM 0 HH11 ARG A 11 -24.668 15.387 -15.725 1.00 20.21 H new ATOM 0 HH12 ARG A 11 -25.864 16.637 -16.083 1.00 20.21 H new ATOM 0 HH21 ARG A 11 -24.709 17.163 -19.314 1.00 55.42 H new ATOM 0 HH22 ARG A 11 -25.885 17.626 -18.080 1.00 55.42 H new ATOM 210 N GLY A 12 -18.319 13.425 -16.716 1.00 64.15 N ATOM 211 CA GLY A 12 -17.680 12.206 -16.227 1.00 34.21 C ATOM 212 C GLY A 12 -18.547 10.962 -16.410 1.00 54.14 C ATOM 213 O GLY A 12 -19.335 10.607 -15.530 1.00 52.14 O ATOM 0 H GLY A 12 -18.518 14.118 -15.995 1.00 64.15 H new ATOM 0 HA2 GLY A 12 -16.735 12.063 -16.750 1.00 34.21 H new ATOM 0 HA3 GLY A 12 -17.444 12.325 -15.170 1.00 34.21 H new ATOM 217 N GLY A 13 -18.410 10.309 -17.563 1.00 13.53 N ATOM 218 CA GLY A 13 -19.156 9.083 -17.838 1.00 40.25 C ATOM 219 C GLY A 13 -18.326 8.039 -18.579 1.00 4.21 C ATOM 220 O GLY A 13 -18.831 7.334 -19.455 1.00 32.33 O ATOM 0 H GLY A 13 -17.792 10.607 -18.318 1.00 13.53 H new ATOM 0 HA2 GLY A 13 -19.509 8.659 -16.898 1.00 40.25 H new ATOM 0 HA3 GLY A 13 -20.039 9.325 -18.430 1.00 40.25 H new ATOM 224 N ASN A 14 -17.049 7.938 -18.214 1.00 44.43 N ATOM 225 CA ASN A 14 -16.126 6.988 -18.846 1.00 5.24 C ATOM 226 C ASN A 14 -15.294 6.261 -17.777 1.00 60.12 C ATOM 227 O ASN A 14 -14.183 6.675 -17.444 1.00 41.33 O ATOM 228 CB ASN A 14 -15.208 7.723 -19.834 1.00 41.24 C ATOM 229 CG ASN A 14 -14.353 6.784 -20.674 1.00 44.22 C ATOM 230 OD1 ASN A 14 -13.201 7.078 -20.976 1.00 65.00 O ATOM 231 ND2 ASN A 14 -14.911 5.664 -21.086 1.00 65.25 N ATOM 0 H ASN A 14 -16.625 8.505 -17.480 1.00 44.43 H new ATOM 0 HA ASN A 14 -16.706 6.246 -19.395 1.00 5.24 H new ATOM 0 HB2 ASN A 14 -15.817 8.339 -20.496 1.00 41.24 H new ATOM 0 HB3 ASN A 14 -14.556 8.399 -19.280 1.00 41.24 H new ATOM 0 HD21 ASN A 14 -14.383 5.016 -21.671 1.00 65.25 H new ATOM 0 HD22 ASN A 14 -15.871 5.444 -20.820 1.00 65.25 H new ATOM 238 N THR A 15 -15.850 5.188 -17.224 1.00 1.34 N ATOM 239 CA THR A 15 -15.216 4.473 -16.107 1.00 63.25 C ATOM 240 C THR A 15 -14.418 3.250 -16.585 1.00 13.42 C ATOM 241 O THR A 15 -14.960 2.359 -17.243 1.00 33.42 O ATOM 242 CB THR A 15 -16.272 4.009 -15.073 1.00 54.42 C ATOM 243 OG1 THR A 15 -17.060 5.128 -14.631 1.00 61.02 O ATOM 244 CG2 THR A 15 -15.614 3.348 -13.863 1.00 5.42 C ATOM 0 H THR A 15 -16.739 4.789 -17.527 1.00 1.34 H new ATOM 0 HA THR A 15 -14.529 5.178 -15.640 1.00 63.25 H new ATOM 0 HB THR A 15 -16.913 3.277 -15.563 1.00 54.42 H new ATOM 0 HG1 THR A 15 -17.725 4.823 -13.979 1.00 61.02 H new ATOM 0 HG21 THR A 15 -16.383 3.034 -13.157 1.00 5.42 H new ATOM 0 HG22 THR A 15 -15.044 2.478 -14.189 1.00 5.42 H new ATOM 0 HG23 THR A 15 -14.945 4.059 -13.379 1.00 5.42 H new ATOM 252 N LYS A 16 -13.133 3.212 -16.242 1.00 63.20 N ATOM 253 CA LYS A 16 -12.267 2.072 -16.569 1.00 51.32 C ATOM 254 C LYS A 16 -12.612 0.829 -15.734 1.00 23.33 C ATOM 255 O LYS A 16 -13.318 0.912 -14.727 1.00 1.54 O ATOM 256 CB LYS A 16 -10.796 2.435 -16.313 1.00 74.50 C ATOM 257 CG LYS A 16 -10.205 3.441 -17.294 1.00 73.23 C ATOM 258 CD LYS A 16 -8.803 3.884 -16.870 1.00 2.32 C ATOM 259 CE LYS A 16 -7.860 2.701 -16.661 1.00 63.11 C ATOM 260 NZ LYS A 16 -6.514 3.138 -16.204 1.00 4.53 N ATOM 0 H LYS A 16 -12.662 3.961 -15.734 1.00 63.20 H new ATOM 0 HA LYS A 16 -12.429 1.842 -17.622 1.00 51.32 H new ATOM 0 HB2 LYS A 16 -10.706 2.837 -15.304 1.00 74.50 H new ATOM 0 HB3 LYS A 16 -10.200 1.523 -16.347 1.00 74.50 H new ATOM 0 HG2 LYS A 16 -10.162 2.998 -18.289 1.00 73.23 H new ATOM 0 HG3 LYS A 16 -10.858 4.311 -17.361 1.00 73.23 H new ATOM 0 HD2 LYS A 16 -8.388 4.546 -17.630 1.00 2.32 H new ATOM 0 HD3 LYS A 16 -8.870 4.460 -15.947 1.00 2.32 H new ATOM 0 HE2 LYS A 16 -8.289 2.020 -15.926 1.00 63.11 H new ATOM 0 HE3 LYS A 16 -7.764 2.144 -17.593 1.00 63.11 H new ATOM 0 HZ1 LYS A 16 -5.926 2.303 -16.009 1.00 4.53 H new ATOM 0 HZ2 LYS A 16 -6.065 3.712 -16.946 1.00 4.53 H new ATOM 0 HZ3 LYS A 16 -6.609 3.705 -15.337 1.00 4.53 H new ATOM 274 N VAL A 17 -12.110 -0.323 -16.169 1.00 21.30 N ATOM 275 CA VAL A 17 -12.139 -1.534 -15.346 1.00 22.42 C ATOM 276 C VAL A 17 -11.181 -1.377 -14.147 1.00 53.33 C ATOM 277 O VAL A 17 -10.224 -0.606 -14.213 1.00 23.33 O ATOM 278 CB VAL A 17 -11.748 -2.787 -16.181 1.00 3.33 C ATOM 279 CG1 VAL A 17 -10.338 -2.645 -16.753 1.00 41.11 C ATOM 280 CG2 VAL A 17 -11.880 -4.070 -15.356 1.00 12.53 C ATOM 0 H VAL A 17 -11.678 -0.446 -17.085 1.00 21.30 H new ATOM 0 HA VAL A 17 -13.156 -1.674 -14.980 1.00 22.42 H new ATOM 0 HB VAL A 17 -12.445 -2.859 -17.016 1.00 3.33 H new ATOM 0 HG11 VAL A 17 -10.089 -3.534 -17.332 1.00 41.11 H new ATOM 0 HG12 VAL A 17 -10.294 -1.767 -17.398 1.00 41.11 H new ATOM 0 HG13 VAL A 17 -9.624 -2.532 -15.937 1.00 41.11 H new ATOM 0 HG21 VAL A 17 -11.599 -4.927 -15.968 1.00 12.53 H new ATOM 0 HG22 VAL A 17 -11.223 -4.014 -14.488 1.00 12.53 H new ATOM 0 HG23 VAL A 17 -12.912 -4.184 -15.023 1.00 12.53 H new ATOM 290 N ARG A 18 -11.442 -2.109 -13.060 1.00 5.13 N ATOM 291 CA ARG A 18 -10.649 -2.003 -11.817 1.00 24.23 C ATOM 292 C ARG A 18 -9.125 -1.989 -12.073 1.00 71.22 C ATOM 293 O ARG A 18 -8.365 -1.329 -11.359 1.00 35.04 O ATOM 294 CB ARG A 18 -11.000 -3.171 -10.883 1.00 3.12 C ATOM 295 CG ARG A 18 -10.526 -4.533 -11.394 1.00 64.13 C ATOM 296 CD ARG A 18 -11.025 -5.679 -10.522 1.00 43.15 C ATOM 297 NE ARG A 18 -10.782 -5.445 -9.100 1.00 65.11 N ATOM 298 CZ ARG A 18 -10.385 -6.362 -8.259 1.00 22.01 C ATOM 299 NH1 ARG A 18 -10.128 -7.569 -8.657 1.00 75.30 N ATOM 300 NH2 ARG A 18 -10.239 -6.064 -7.011 1.00 1.25 N ATOM 0 H ARG A 18 -12.201 -2.788 -13.009 1.00 5.13 H new ATOM 0 HA ARG A 18 -10.905 -1.049 -11.355 1.00 24.23 H new ATOM 0 HB2 ARG A 18 -10.558 -2.987 -9.904 1.00 3.12 H new ATOM 0 HB3 ARG A 18 -12.081 -3.201 -10.744 1.00 3.12 H new ATOM 0 HG2 ARG A 18 -10.875 -4.678 -12.416 1.00 64.13 H new ATOM 0 HG3 ARG A 18 -9.437 -4.549 -11.424 1.00 64.13 H new ATOM 0 HD2 ARG A 18 -12.093 -5.819 -10.687 1.00 43.15 H new ATOM 0 HD3 ARG A 18 -10.532 -6.603 -10.825 1.00 43.15 H new ATOM 0 HE ARG A 18 -10.933 -4.502 -8.740 1.00 65.11 H new ATOM 0 HH11 ARG A 18 -10.235 -7.815 -9.641 1.00 75.30 H new ATOM 0 HH12 ARG A 18 -9.819 -8.272 -7.986 1.00 75.30 H new ATOM 0 HH21 ARG A 18 -10.433 -5.117 -6.687 1.00 1.25 H new ATOM 0 HH22 ARG A 18 -9.929 -6.776 -6.350 1.00 1.25 H new ATOM 314 N LEU A 19 -8.689 -2.718 -13.096 1.00 63.13 N ATOM 315 CA LEU A 19 -7.265 -2.837 -13.415 1.00 23.13 C ATOM 316 C LEU A 19 -7.061 -2.940 -14.935 1.00 61.45 C ATOM 317 O LEU A 19 -7.438 -3.935 -15.555 1.00 52.00 O ATOM 318 CB LEU A 19 -6.678 -4.064 -12.681 1.00 74.43 C ATOM 319 CG LEU A 19 -5.152 -4.286 -12.801 1.00 62.31 C ATOM 320 CD1 LEU A 19 -4.644 -5.131 -11.634 1.00 21.23 C ATOM 321 CD2 LEU A 19 -4.792 -4.967 -14.121 1.00 13.13 C ATOM 0 H LEU A 19 -9.303 -3.239 -13.723 1.00 63.13 H new ATOM 0 HA LEU A 19 -6.738 -1.945 -13.076 1.00 23.13 H new ATOM 0 HB2 LEU A 19 -6.926 -3.978 -11.623 1.00 74.43 H new ATOM 0 HB3 LEU A 19 -7.181 -4.956 -13.055 1.00 74.43 H new ATOM 0 HG LEU A 19 -4.673 -3.307 -12.776 1.00 62.31 H new ATOM 0 HD11 LEU A 19 -3.569 -5.278 -11.733 1.00 21.23 H new ATOM 0 HD12 LEU A 19 -4.855 -4.619 -10.695 1.00 21.23 H new ATOM 0 HD13 LEU A 19 -5.145 -6.099 -11.640 1.00 21.23 H new ATOM 0 HD21 LEU A 19 -3.713 -5.109 -14.175 1.00 13.13 H new ATOM 0 HD22 LEU A 19 -5.289 -5.936 -14.178 1.00 13.13 H new ATOM 0 HD23 LEU A 19 -5.118 -4.343 -14.953 1.00 13.13 H new ATOM 333 N ALA A 20 -6.477 -1.899 -15.531 1.00 33.31 N ATOM 334 CA ALA A 20 -6.187 -1.888 -16.971 1.00 43.40 C ATOM 335 C ALA A 20 -4.685 -1.712 -17.224 1.00 1.34 C ATOM 336 O ALA A 20 -4.228 -0.629 -17.601 1.00 23.40 O ATOM 337 CB ALA A 20 -6.984 -0.790 -17.666 1.00 11.01 C ATOM 0 H ALA A 20 -6.194 -1.051 -15.041 1.00 33.31 H new ATOM 0 HA ALA A 20 -6.488 -2.849 -17.388 1.00 43.40 H new ATOM 0 HB1 ALA A 20 -6.758 -0.795 -18.732 1.00 11.01 H new ATOM 0 HB2 ALA A 20 -8.050 -0.966 -17.520 1.00 11.01 H new ATOM 0 HB3 ALA A 20 -6.715 0.178 -17.243 1.00 11.01 H new ATOM 343 N SER A 21 -3.924 -2.782 -16.985 1.00 2.33 N ATOM 344 CA SER A 21 -2.449 -2.761 -17.065 1.00 12.22 C ATOM 345 C SER A 21 -1.813 -1.979 -15.898 1.00 61.20 C ATOM 346 O SER A 21 -0.769 -2.375 -15.374 1.00 71.54 O ATOM 347 CB SER A 21 -1.963 -2.192 -18.409 1.00 21.31 C ATOM 348 OG SER A 21 -0.545 -2.222 -18.500 1.00 61.33 O ATOM 0 H SER A 21 -4.307 -3.692 -16.730 1.00 2.33 H new ATOM 0 HA SER A 21 -2.124 -3.799 -16.990 1.00 12.22 H new ATOM 0 HB2 SER A 21 -2.394 -2.768 -19.228 1.00 21.31 H new ATOM 0 HB3 SER A 21 -2.315 -1.167 -18.521 1.00 21.31 H new ATOM 0 HG SER A 21 -0.265 -1.856 -19.365 1.00 61.33 H new ATOM 354 N ASP A 22 -2.432 -0.869 -15.491 1.00 65.32 N ATOM 355 CA ASP A 22 -1.923 -0.059 -14.382 1.00 20.21 C ATOM 356 C ASP A 22 -2.545 -0.484 -13.038 1.00 1.51 C ATOM 357 O ASP A 22 -3.765 -0.641 -12.916 1.00 70.30 O ATOM 358 CB ASP A 22 -2.175 1.434 -14.654 1.00 53.20 C ATOM 359 CG ASP A 22 -3.654 1.804 -14.720 1.00 12.21 C ATOM 360 OD1 ASP A 22 -4.396 1.188 -15.514 1.00 2.14 O ATOM 361 OD2 ASP A 22 -4.071 2.741 -14.009 1.00 23.31 O ATOM 0 H ASP A 22 -3.288 -0.510 -15.914 1.00 65.32 H new ATOM 0 HA ASP A 22 -0.848 -0.225 -14.310 1.00 20.21 H new ATOM 0 HB2 ASP A 22 -1.697 2.023 -13.871 1.00 53.20 H new ATOM 0 HB3 ASP A 22 -1.698 1.708 -15.595 1.00 53.20 H new ATOM 366 N THR A 23 -1.690 -0.686 -12.038 1.00 72.23 N ATOM 367 CA THR A 23 -2.126 -1.074 -10.691 1.00 11.23 C ATOM 368 C THR A 23 -2.194 0.148 -9.768 1.00 32.13 C ATOM 369 O THR A 23 -1.178 0.762 -9.462 1.00 43.35 O ATOM 370 CB THR A 23 -1.162 -2.119 -10.075 1.00 53.10 C ATOM 371 OG1 THR A 23 0.169 -1.583 -10.016 1.00 12.11 O ATOM 372 CG2 THR A 23 -1.153 -3.411 -10.890 1.00 72.24 C ATOM 0 H THR A 23 -0.679 -0.587 -12.134 1.00 72.23 H new ATOM 0 HA THR A 23 -3.119 -1.513 -10.784 1.00 11.23 H new ATOM 0 HB THR A 23 -1.513 -2.347 -9.069 1.00 53.10 H new ATOM 0 HG1 THR A 23 0.816 -2.318 -9.972 1.00 12.11 H new ATOM 0 HG21 THR A 23 -0.467 -4.125 -10.433 1.00 72.24 H new ATOM 0 HG22 THR A 23 -2.157 -3.835 -10.911 1.00 72.24 H new ATOM 0 HG23 THR A 23 -0.828 -3.197 -11.908 1.00 72.24 H new ATOM 380 N ARG A 24 -3.396 0.499 -9.323 1.00 5.52 N ATOM 381 CA ARG A 24 -3.604 1.701 -8.501 1.00 75.02 C ATOM 382 C ARG A 24 -4.174 1.352 -7.114 1.00 40.50 C ATOM 383 O ARG A 24 -5.267 0.793 -6.999 1.00 75.50 O ATOM 384 CB ARG A 24 -4.536 2.667 -9.250 1.00 71.24 C ATOM 385 CG ARG A 24 -3.934 3.212 -10.548 1.00 22.14 C ATOM 386 CD ARG A 24 -2.968 4.367 -10.292 1.00 32.23 C ATOM 387 NE ARG A 24 -3.677 5.580 -9.882 1.00 12.03 N ATOM 388 CZ ARG A 24 -3.136 6.575 -9.235 1.00 13.34 C ATOM 389 NH1 ARG A 24 -1.896 6.538 -8.878 1.00 45.12 N ATOM 390 NH2 ARG A 24 -3.853 7.605 -8.929 1.00 1.03 N ATOM 0 H ARG A 24 -4.247 -0.029 -9.515 1.00 5.52 H new ATOM 0 HA ARG A 24 -2.640 2.181 -8.333 1.00 75.02 H new ATOM 0 HB2 ARG A 24 -5.470 2.154 -9.479 1.00 71.24 H new ATOM 0 HB3 ARG A 24 -4.784 3.502 -8.595 1.00 71.24 H new ATOM 0 HG2 ARG A 24 -3.410 2.410 -11.069 1.00 22.14 H new ATOM 0 HG3 ARG A 24 -4.735 3.549 -11.205 1.00 22.14 H new ATOM 0 HD2 ARG A 24 -2.256 4.082 -9.518 1.00 32.23 H new ATOM 0 HD3 ARG A 24 -2.393 4.569 -11.196 1.00 32.23 H new ATOM 0 HE ARG A 24 -4.666 5.653 -10.120 1.00 12.03 H new ATOM 0 HH11 ARG A 24 -1.325 5.723 -9.101 1.00 45.12 H new ATOM 0 HH12 ARG A 24 -1.487 7.324 -8.373 1.00 45.12 H new ATOM 0 HH21 ARG A 24 -4.838 7.638 -9.193 1.00 1.03 H new ATOM 0 HH22 ARG A 24 -3.435 8.386 -8.423 1.00 1.03 H new ATOM 404 N ILE A 25 -3.420 1.687 -6.063 1.00 43.33 N ATOM 405 CA ILE A 25 -3.813 1.372 -4.678 1.00 42.34 C ATOM 406 C ILE A 25 -3.803 2.621 -3.775 1.00 72.34 C ATOM 407 O ILE A 25 -2.885 3.440 -3.834 1.00 45.14 O ATOM 408 CB ILE A 25 -2.871 0.294 -4.070 1.00 53.52 C ATOM 409 CG1 ILE A 25 -3.296 -0.068 -2.634 1.00 32.31 C ATOM 410 CG2 ILE A 25 -1.417 0.765 -4.100 1.00 74.30 C ATOM 411 CD1 ILE A 25 -2.438 -1.140 -1.986 1.00 44.52 C ATOM 0 H ILE A 25 -2.530 2.178 -6.141 1.00 43.33 H new ATOM 0 HA ILE A 25 -4.832 0.988 -4.721 1.00 42.34 H new ATOM 0 HB ILE A 25 -2.953 -0.605 -4.682 1.00 53.52 H new ATOM 0 HG12 ILE A 25 -3.262 0.831 -2.019 1.00 32.31 H new ATOM 0 HG13 ILE A 25 -4.332 -0.406 -2.647 1.00 32.31 H new ATOM 0 HG21 ILE A 25 -0.776 -0.005 -3.670 1.00 74.30 H new ATOM 0 HG22 ILE A 25 -1.117 0.953 -5.131 1.00 74.30 H new ATOM 0 HG23 ILE A 25 -1.320 1.683 -3.521 1.00 74.30 H new ATOM 0 HD11 ILE A 25 -2.802 -1.337 -0.978 1.00 44.52 H new ATOM 0 HD12 ILE A 25 -2.491 -2.055 -2.576 1.00 44.52 H new ATOM 0 HD13 ILE A 25 -1.404 -0.799 -1.938 1.00 44.52 H new ATOM 423 N ASN A 26 -4.839 2.760 -2.947 1.00 3.24 N ATOM 424 CA ASN A 26 -4.910 3.839 -1.956 1.00 44.20 C ATOM 425 C ASN A 26 -3.887 3.616 -0.831 1.00 21.23 C ATOM 426 O ASN A 26 -4.087 2.776 0.046 1.00 21.35 O ATOM 427 CB ASN A 26 -6.323 3.923 -1.361 1.00 51.44 C ATOM 428 CG ASN A 26 -7.369 4.331 -2.383 1.00 54.02 C ATOM 429 OD1 ASN A 26 -7.107 5.119 -3.283 1.00 42.32 O ATOM 430 ND2 ASN A 26 -8.566 3.800 -2.253 1.00 63.30 N ATOM 0 H ASN A 26 -5.646 2.136 -2.942 1.00 3.24 H new ATOM 0 HA ASN A 26 -4.676 4.777 -2.460 1.00 44.20 H new ATOM 0 HB2 ASN A 26 -6.593 2.955 -0.939 1.00 51.44 H new ATOM 0 HB3 ASN A 26 -6.325 4.640 -0.540 1.00 51.44 H new ATOM 0 HD21 ASN A 26 -9.306 4.042 -2.912 1.00 63.30 H new ATOM 0 HD22 ASN A 26 -8.754 3.146 -1.493 1.00 63.30 H new ATOM 437 N VAL A 27 -2.793 4.369 -0.868 1.00 70.50 N ATOM 438 CA VAL A 27 -1.724 4.232 0.127 1.00 55.41 C ATOM 439 C VAL A 27 -1.887 5.240 1.274 1.00 1.03 C ATOM 440 O VAL A 27 -1.807 6.454 1.072 1.00 41.04 O ATOM 441 CB VAL A 27 -0.327 4.417 -0.521 1.00 13.13 C ATOM 442 CG1 VAL A 27 0.785 4.256 0.516 1.00 51.42 C ATOM 443 CG2 VAL A 27 -0.144 3.437 -1.676 1.00 70.24 C ATOM 0 H VAL A 27 -2.619 5.083 -1.575 1.00 70.50 H new ATOM 0 HA VAL A 27 -1.800 3.223 0.532 1.00 55.41 H new ATOM 0 HB VAL A 27 -0.264 5.430 -0.917 1.00 13.13 H new ATOM 0 HG11 VAL A 27 1.754 4.391 0.035 1.00 51.42 H new ATOM 0 HG12 VAL A 27 0.662 5.003 1.300 1.00 51.42 H new ATOM 0 HG13 VAL A 27 0.733 3.259 0.954 1.00 51.42 H new ATOM 0 HG21 VAL A 27 0.841 3.579 -2.121 1.00 70.24 H new ATOM 0 HG22 VAL A 27 -0.231 2.416 -1.304 1.00 70.24 H new ATOM 0 HG23 VAL A 27 -0.911 3.615 -2.429 1.00 70.24 H new ATOM 453 N VAL A 28 -2.120 4.723 2.477 1.00 5.33 N ATOM 454 CA VAL A 28 -2.244 5.553 3.680 1.00 53.43 C ATOM 455 C VAL A 28 -0.961 5.497 4.524 1.00 63.43 C ATOM 456 O VAL A 28 -0.486 4.416 4.868 1.00 74.22 O ATOM 457 CB VAL A 28 -3.437 5.092 4.557 1.00 63.40 C ATOM 458 CG1 VAL A 28 -3.650 6.042 5.736 1.00 13.43 C ATOM 459 CG2 VAL A 28 -4.706 4.971 3.719 1.00 1.54 C ATOM 0 H VAL A 28 -2.228 3.723 2.649 1.00 5.33 H new ATOM 0 HA VAL A 28 -2.415 6.576 3.345 1.00 53.43 H new ATOM 0 HB VAL A 28 -3.200 4.107 4.960 1.00 63.40 H new ATOM 0 HG11 VAL A 28 -4.492 5.696 6.335 1.00 13.43 H new ATOM 0 HG12 VAL A 28 -2.751 6.064 6.353 1.00 13.43 H new ATOM 0 HG13 VAL A 28 -3.858 7.045 5.362 1.00 13.43 H new ATOM 0 HG21 VAL A 28 -5.531 4.646 4.353 1.00 1.54 H new ATOM 0 HG22 VAL A 28 -4.945 5.939 3.279 1.00 1.54 H new ATOM 0 HG23 VAL A 28 -4.549 4.241 2.925 1.00 1.54 H new ATOM 469 N ASP A 29 -0.400 6.659 4.851 1.00 34.34 N ATOM 470 CA ASP A 29 0.800 6.725 5.693 1.00 33.00 C ATOM 471 C ASP A 29 0.417 6.651 7.181 1.00 31.12 C ATOM 472 O ASP A 29 -0.341 7.488 7.677 1.00 65.13 O ATOM 473 CB ASP A 29 1.576 8.019 5.419 1.00 54.34 C ATOM 474 CG ASP A 29 3.015 7.982 5.927 1.00 41.13 C ATOM 475 OD1 ASP A 29 3.240 7.626 7.103 1.00 72.34 O ATOM 476 OD2 ASP A 29 3.929 8.322 5.147 1.00 55.45 O ATOM 0 H ASP A 29 -0.753 7.567 4.549 1.00 34.34 H new ATOM 0 HA ASP A 29 1.436 5.874 5.449 1.00 33.00 H new ATOM 0 HB2 ASP A 29 1.582 8.210 4.346 1.00 54.34 H new ATOM 0 HB3 ASP A 29 1.054 8.853 5.888 1.00 54.34 H new ATOM 481 N PRO A 30 0.944 5.654 7.914 1.00 4.41 N ATOM 482 CA PRO A 30 0.644 5.472 9.343 1.00 34.05 C ATOM 483 C PRO A 30 1.264 6.568 10.228 1.00 72.12 C ATOM 484 O PRO A 30 0.697 6.949 11.254 1.00 71.42 O ATOM 485 CB PRO A 30 1.266 4.097 9.651 1.00 3.14 C ATOM 486 CG PRO A 30 2.369 3.957 8.658 1.00 72.32 C ATOM 487 CD PRO A 30 1.872 4.626 7.408 1.00 34.42 C ATOM 0 HA PRO A 30 -0.424 5.532 9.550 1.00 34.05 H new ATOM 0 HB2 PRO A 30 1.643 4.052 10.673 1.00 3.14 H new ATOM 0 HB3 PRO A 30 0.533 3.297 9.546 1.00 3.14 H new ATOM 0 HG2 PRO A 30 3.283 4.428 9.018 1.00 72.32 H new ATOM 0 HG3 PRO A 30 2.602 2.908 8.476 1.00 72.32 H new ATOM 0 HD2 PRO A 30 2.689 5.068 6.838 1.00 34.42 H new ATOM 0 HD3 PRO A 30 1.368 3.920 6.748 1.00 34.42 H new ATOM 495 N GLU A 31 2.423 7.082 9.817 1.00 75.02 N ATOM 496 CA GLU A 31 3.177 8.042 10.633 1.00 14.11 C ATOM 497 C GLU A 31 2.780 9.503 10.350 1.00 13.34 C ATOM 498 O GLU A 31 2.623 10.303 11.278 1.00 44.24 O ATOM 499 CB GLU A 31 4.685 7.847 10.405 1.00 43.14 C ATOM 500 CG GLU A 31 5.169 6.418 10.664 1.00 73.01 C ATOM 501 CD GLU A 31 4.911 5.945 12.091 1.00 10.25 C ATOM 502 OE1 GLU A 31 5.787 6.148 12.961 1.00 1.21 O ATOM 503 OE2 GLU A 31 3.834 5.364 12.351 1.00 30.44 O ATOM 0 H GLU A 31 2.862 6.852 8.926 1.00 75.02 H new ATOM 0 HA GLU A 31 2.931 7.845 11.676 1.00 14.11 H new ATOM 0 HB2 GLU A 31 4.926 8.122 9.378 1.00 43.14 H new ATOM 0 HB3 GLU A 31 5.233 8.530 11.055 1.00 43.14 H new ATOM 0 HG2 GLU A 31 4.672 5.741 9.969 1.00 73.01 H new ATOM 0 HG3 GLU A 31 6.238 6.360 10.457 1.00 73.01 H new ATOM 510 N THR A 32 2.622 9.861 9.073 1.00 43.14 N ATOM 511 CA THR A 32 2.289 11.252 8.696 1.00 45.32 C ATOM 512 C THR A 32 0.785 11.448 8.451 1.00 73.31 C ATOM 513 O THR A 32 0.241 12.528 8.699 1.00 31.52 O ATOM 514 CB THR A 32 3.047 11.712 7.428 1.00 63.33 C ATOM 515 OG1 THR A 32 2.463 11.124 6.251 1.00 44.40 O ATOM 516 CG2 THR A 32 4.525 11.344 7.508 1.00 62.05 C ATOM 0 H THR A 32 2.716 9.221 8.285 1.00 43.14 H new ATOM 0 HA THR A 32 2.599 11.858 9.547 1.00 45.32 H new ATOM 0 HB THR A 32 2.963 12.797 7.366 1.00 63.33 H new ATOM 0 HG1 THR A 32 2.161 11.834 5.646 1.00 44.40 H new ATOM 0 HG21 THR A 32 5.033 11.679 6.604 1.00 62.05 H new ATOM 0 HG22 THR A 32 4.974 11.827 8.376 1.00 62.05 H new ATOM 0 HG23 THR A 32 4.626 10.263 7.601 1.00 62.05 H new ATOM 524 N GLY A 33 0.115 10.404 7.962 1.00 45.43 N ATOM 525 CA GLY A 33 -1.318 10.490 7.691 1.00 71.15 C ATOM 526 C GLY A 33 -1.656 10.985 6.284 1.00 23.41 C ATOM 527 O GLY A 33 -2.698 11.612 6.076 1.00 12.11 O ATOM 0 H GLY A 33 0.536 9.500 7.748 1.00 45.43 H new ATOM 0 HA2 GLY A 33 -1.765 9.506 7.836 1.00 71.15 H new ATOM 0 HA3 GLY A 33 -1.776 11.159 8.420 1.00 71.15 H new ATOM 531 N LYS A 34 -0.784 10.711 5.310 1.00 24.51 N ATOM 532 CA LYS A 34 -1.047 11.089 3.911 1.00 55.04 C ATOM 533 C LYS A 34 -1.783 9.964 3.163 1.00 43.14 C ATOM 534 O LYS A 34 -1.459 8.787 3.327 1.00 4.44 O ATOM 535 CB LYS A 34 0.263 11.434 3.173 1.00 13.14 C ATOM 536 CG LYS A 34 1.186 10.238 2.932 1.00 62.13 C ATOM 537 CD LYS A 34 2.431 10.610 2.129 1.00 63.13 C ATOM 538 CE LYS A 34 3.411 11.458 2.934 1.00 64.12 C ATOM 539 NZ LYS A 34 3.989 10.714 4.088 1.00 55.55 N ATOM 0 H LYS A 34 0.105 10.233 5.458 1.00 24.51 H new ATOM 0 HA LYS A 34 -1.683 11.974 3.928 1.00 55.04 H new ATOM 0 HB2 LYS A 34 0.016 11.887 2.213 1.00 13.14 H new ATOM 0 HB3 LYS A 34 0.804 12.185 3.750 1.00 13.14 H new ATOM 0 HG2 LYS A 34 1.489 9.818 3.891 1.00 62.13 H new ATOM 0 HG3 LYS A 34 0.636 9.460 2.403 1.00 62.13 H new ATOM 0 HD2 LYS A 34 2.930 9.700 1.796 1.00 63.13 H new ATOM 0 HD3 LYS A 34 2.133 11.156 1.234 1.00 63.13 H new ATOM 0 HE2 LYS A 34 4.217 11.795 2.282 1.00 64.12 H new ATOM 0 HE3 LYS A 34 2.902 12.350 3.298 1.00 64.12 H new ATOM 0 HZ1 LYS A 34 3.651 11.135 4.977 1.00 55.55 H new ATOM 0 HZ2 LYS A 34 3.693 9.718 4.042 1.00 55.55 H new ATOM 0 HZ3 LYS A 34 5.027 10.769 4.051 1.00 55.55 H new ATOM 553 N VAL A 35 -2.777 10.326 2.355 1.00 52.10 N ATOM 554 CA VAL A 35 -3.517 9.346 1.545 1.00 34.50 C ATOM 555 C VAL A 35 -3.287 9.596 0.046 1.00 21.23 C ATOM 556 O VAL A 35 -3.857 10.520 -0.539 1.00 13.03 O ATOM 557 CB VAL A 35 -5.038 9.381 1.848 1.00 33.42 C ATOM 558 CG1 VAL A 35 -5.778 8.311 1.043 1.00 61.31 C ATOM 559 CG2 VAL A 35 -5.294 9.210 3.345 1.00 61.35 C ATOM 0 H VAL A 35 -3.093 11.289 2.240 1.00 52.10 H new ATOM 0 HA VAL A 35 -3.137 8.359 1.811 1.00 34.50 H new ATOM 0 HB VAL A 35 -5.423 10.355 1.547 1.00 33.42 H new ATOM 0 HG11 VAL A 35 -6.843 8.355 1.272 1.00 61.31 H new ATOM 0 HG12 VAL A 35 -5.628 8.488 -0.022 1.00 61.31 H new ATOM 0 HG13 VAL A 35 -5.391 7.326 1.305 1.00 61.31 H new ATOM 0 HG21 VAL A 35 -6.367 9.237 3.536 1.00 61.35 H new ATOM 0 HG22 VAL A 35 -4.891 8.253 3.676 1.00 61.35 H new ATOM 0 HG23 VAL A 35 -4.807 10.017 3.892 1.00 61.35 H new ATOM 569 N GLU A 36 -2.438 8.778 -0.567 1.00 60.22 N ATOM 570 CA GLU A 36 -2.078 8.941 -1.981 1.00 50.13 C ATOM 571 C GLU A 36 -2.184 7.609 -2.736 1.00 30.30 C ATOM 572 O GLU A 36 -1.825 6.561 -2.211 1.00 60.22 O ATOM 573 CB GLU A 36 -0.647 9.498 -2.095 1.00 34.50 C ATOM 574 CG GLU A 36 -0.130 9.630 -3.528 1.00 44.31 C ATOM 575 CD GLU A 36 -0.914 10.638 -4.355 1.00 40.12 C ATOM 576 OE1 GLU A 36 -1.957 10.263 -4.933 1.00 35.33 O ATOM 577 OE2 GLU A 36 -0.483 11.810 -4.436 1.00 1.23 O ATOM 0 H GLU A 36 -1.981 7.990 -0.108 1.00 60.22 H new ATOM 0 HA GLU A 36 -2.778 9.644 -2.433 1.00 50.13 H new ATOM 0 HB2 GLU A 36 -0.613 10.478 -1.618 1.00 34.50 H new ATOM 0 HB3 GLU A 36 0.028 8.848 -1.537 1.00 34.50 H new ATOM 0 HG2 GLU A 36 0.919 9.926 -3.504 1.00 44.31 H new ATOM 0 HG3 GLU A 36 -0.175 8.656 -4.015 1.00 44.31 H new ATOM 584 N ILE A 37 -2.678 7.651 -3.971 1.00 53.45 N ATOM 585 CA ILE A 37 -2.812 6.437 -4.778 1.00 20.35 C ATOM 586 C ILE A 37 -1.503 6.143 -5.533 1.00 61.01 C ATOM 587 O ILE A 37 -1.028 6.966 -6.321 1.00 13.01 O ATOM 588 CB ILE A 37 -3.976 6.551 -5.794 1.00 51.42 C ATOM 589 CG1 ILE A 37 -5.246 7.083 -5.112 1.00 22.13 C ATOM 590 CG2 ILE A 37 -4.250 5.191 -6.437 1.00 53.34 C ATOM 591 CD1 ILE A 37 -6.426 7.249 -6.053 1.00 44.44 C ATOM 0 H ILE A 37 -2.990 8.505 -4.434 1.00 53.45 H new ATOM 0 HA ILE A 37 -3.031 5.618 -4.093 1.00 20.35 H new ATOM 0 HB ILE A 37 -3.685 7.257 -6.572 1.00 51.42 H new ATOM 0 HG12 ILE A 37 -5.527 6.402 -4.309 1.00 22.13 H new ATOM 0 HG13 ILE A 37 -5.023 8.045 -4.651 1.00 22.13 H new ATOM 0 HG21 ILE A 37 -5.070 5.284 -7.149 1.00 53.34 H new ATOM 0 HG22 ILE A 37 -3.355 4.847 -6.956 1.00 53.34 H new ATOM 0 HG23 ILE A 37 -4.520 4.471 -5.664 1.00 53.34 H new ATOM 0 HD11 ILE A 37 -7.284 7.628 -5.498 1.00 44.44 H new ATOM 0 HD12 ILE A 37 -6.165 7.953 -6.843 1.00 44.44 H new ATOM 0 HD13 ILE A 37 -6.677 6.285 -6.495 1.00 44.44 H new ATOM 603 N ALA A 38 -0.922 4.972 -5.289 1.00 61.43 N ATOM 604 CA ALA A 38 0.374 4.613 -5.879 1.00 4.15 C ATOM 605 C ALA A 38 0.284 3.411 -6.830 1.00 33.33 C ATOM 606 O ALA A 38 -0.596 2.558 -6.697 1.00 62.44 O ATOM 607 CB ALA A 38 1.381 4.330 -4.773 1.00 52.53 C ATOM 0 H ALA A 38 -1.324 4.253 -4.688 1.00 61.43 H new ATOM 0 HA ALA A 38 0.702 5.463 -6.477 1.00 4.15 H new ATOM 0 HB1 ALA A 38 2.341 4.064 -5.215 1.00 52.53 H new ATOM 0 HB2 ALA A 38 1.500 5.219 -4.153 1.00 52.53 H new ATOM 0 HB3 ALA A 38 1.023 3.504 -4.158 1.00 52.53 H new ATOM 613 N GLU A 39 1.201 3.361 -7.798 1.00 63.45 N ATOM 614 CA GLU A 39 1.301 2.220 -8.712 1.00 2.53 C ATOM 615 C GLU A 39 2.123 1.083 -8.080 1.00 55.21 C ATOM 616 O GLU A 39 3.224 1.311 -7.566 1.00 1.02 O ATOM 617 CB GLU A 39 1.931 2.638 -10.056 1.00 12.21 C ATOM 618 CG GLU A 39 1.163 3.724 -10.818 1.00 52.13 C ATOM 619 CD GLU A 39 1.306 5.112 -10.207 1.00 74.35 C ATOM 620 OE1 GLU A 39 2.284 5.816 -10.533 1.00 21.10 O ATOM 621 OE2 GLU A 39 0.443 5.506 -9.401 1.00 30.21 O ATOM 0 H GLU A 39 1.886 4.097 -7.970 1.00 63.45 H new ATOM 0 HA GLU A 39 0.289 1.860 -8.900 1.00 2.53 H new ATOM 0 HB2 GLU A 39 2.945 2.992 -9.871 1.00 12.21 H new ATOM 0 HB3 GLU A 39 2.013 1.757 -10.692 1.00 12.21 H new ATOM 0 HG2 GLU A 39 1.516 3.752 -11.849 1.00 52.13 H new ATOM 0 HG3 GLU A 39 0.107 3.457 -10.849 1.00 52.13 H new ATOM 628 N ILE A 40 1.585 -0.139 -8.123 1.00 32.43 N ATOM 629 CA ILE A 40 2.254 -1.307 -7.529 1.00 22.22 C ATOM 630 C ILE A 40 3.206 -1.977 -8.529 1.00 41.31 C ATOM 631 O ILE A 40 2.770 -2.519 -9.546 1.00 23.33 O ATOM 632 CB ILE A 40 1.226 -2.367 -7.056 1.00 51.02 C ATOM 633 CG1 ILE A 40 0.239 -1.753 -6.051 1.00 64.42 C ATOM 634 CG2 ILE A 40 1.942 -3.572 -6.442 1.00 24.42 C ATOM 635 CD1 ILE A 40 -0.818 -2.722 -5.558 1.00 62.43 C ATOM 0 H ILE A 40 0.688 -0.348 -8.562 1.00 32.43 H new ATOM 0 HA ILE A 40 2.820 -0.935 -6.675 1.00 22.22 H new ATOM 0 HB ILE A 40 0.661 -2.709 -7.923 1.00 51.02 H new ATOM 0 HG12 ILE A 40 0.797 -1.373 -5.195 1.00 64.42 H new ATOM 0 HG13 ILE A 40 -0.254 -0.899 -6.516 1.00 64.42 H new ATOM 0 HG21 ILE A 40 1.205 -4.306 -6.116 1.00 24.42 H new ATOM 0 HG22 ILE A 40 2.598 -4.023 -7.186 1.00 24.42 H new ATOM 0 HG23 ILE A 40 2.533 -3.247 -5.586 1.00 24.42 H new ATOM 0 HD11 ILE A 40 -1.476 -2.215 -4.853 1.00 62.43 H new ATOM 0 HD12 ILE A 40 -1.403 -3.084 -6.404 1.00 62.43 H new ATOM 0 HD13 ILE A 40 -0.336 -3.565 -5.063 1.00 62.43 H new ATOM 647 N ARG A 41 4.503 -1.936 -8.237 1.00 12.11 N ATOM 648 CA ARG A 41 5.502 -2.613 -9.073 1.00 20.42 C ATOM 649 C ARG A 41 5.633 -4.105 -8.714 1.00 54.23 C ATOM 650 O ARG A 41 5.515 -4.979 -9.573 1.00 0.21 O ATOM 651 CB ARG A 41 6.870 -1.927 -8.938 1.00 12.13 C ATOM 652 CG ARG A 41 6.911 -0.505 -9.492 1.00 11.41 C ATOM 653 CD ARG A 41 8.330 0.059 -9.496 1.00 43.32 C ATOM 654 NE ARG A 41 9.269 -0.815 -10.209 1.00 45.33 N ATOM 655 CZ ARG A 41 10.312 -0.397 -10.876 1.00 61.44 C ATOM 656 NH1 ARG A 41 10.559 0.866 -10.991 1.00 71.32 N ATOM 657 NH2 ARG A 41 11.106 -1.249 -11.437 1.00 64.05 N ATOM 0 H ARG A 41 4.890 -1.444 -7.432 1.00 12.11 H new ATOM 0 HA ARG A 41 5.160 -2.542 -10.106 1.00 20.42 H new ATOM 0 HB2 ARG A 41 7.150 -1.904 -7.885 1.00 12.13 H new ATOM 0 HB3 ARG A 41 7.619 -2.528 -9.454 1.00 12.13 H new ATOM 0 HG2 ARG A 41 6.514 -0.498 -10.507 1.00 11.41 H new ATOM 0 HG3 ARG A 41 6.266 0.138 -8.893 1.00 11.41 H new ATOM 0 HD2 ARG A 41 8.327 1.044 -9.962 1.00 43.32 H new ATOM 0 HD3 ARG A 41 8.669 0.194 -8.469 1.00 43.32 H new ATOM 0 HE ARG A 41 9.095 -1.820 -10.182 1.00 45.33 H new ATOM 0 HH11 ARG A 41 9.937 1.549 -10.559 1.00 71.32 H new ATOM 0 HH12 ARG A 41 11.376 1.180 -11.514 1.00 71.32 H new ATOM 0 HH21 ARG A 41 10.919 -2.249 -11.359 1.00 64.05 H new ATOM 0 HH22 ARG A 41 11.920 -0.922 -11.957 1.00 64.05 H new ATOM 671 N ASN A 42 5.872 -4.388 -7.434 1.00 23.41 N ATOM 672 CA ASN A 42 6.130 -5.761 -6.976 1.00 13.12 C ATOM 673 C ASN A 42 5.130 -6.200 -5.897 1.00 73.32 C ATOM 674 O ASN A 42 4.831 -5.454 -4.974 1.00 44.41 O ATOM 675 CB ASN A 42 7.561 -5.863 -6.430 1.00 23.13 C ATOM 676 CG ASN A 42 8.611 -5.553 -7.483 1.00 33.10 C ATOM 677 OD1 ASN A 42 8.451 -5.875 -8.655 1.00 61.44 O ATOM 678 ND2 ASN A 42 9.683 -4.903 -7.084 1.00 70.35 N ATOM 0 H ASN A 42 5.893 -3.688 -6.693 1.00 23.41 H new ATOM 0 HA ASN A 42 6.009 -6.426 -7.831 1.00 13.12 H new ATOM 0 HB2 ASN A 42 7.677 -5.174 -5.593 1.00 23.13 H new ATOM 0 HB3 ASN A 42 7.727 -6.868 -6.041 1.00 23.13 H new ATOM 0 HD21 ASN A 42 10.408 -4.654 -7.757 1.00 70.35 H new ATOM 0 HD22 ASN A 42 9.789 -4.648 -6.102 1.00 70.35 H new ATOM 685 N VAL A 43 4.620 -7.422 -6.026 1.00 31.24 N ATOM 686 CA VAL A 43 3.701 -8.003 -5.031 1.00 71.15 C ATOM 687 C VAL A 43 4.387 -9.123 -4.229 1.00 15.43 C ATOM 688 O VAL A 43 3.742 -10.070 -3.776 1.00 61.55 O ATOM 689 CB VAL A 43 2.435 -8.572 -5.725 1.00 53.24 C ATOM 690 CG1 VAL A 43 1.625 -7.455 -6.375 1.00 41.32 C ATOM 691 CG2 VAL A 43 2.816 -9.630 -6.759 1.00 41.35 C ATOM 0 H VAL A 43 4.825 -8.038 -6.812 1.00 31.24 H new ATOM 0 HA VAL A 43 3.412 -7.206 -4.346 1.00 71.15 H new ATOM 0 HB VAL A 43 1.815 -9.044 -4.963 1.00 53.24 H new ATOM 0 HG11 VAL A 43 0.742 -7.878 -6.855 1.00 41.32 H new ATOM 0 HG12 VAL A 43 1.316 -6.739 -5.613 1.00 41.32 H new ATOM 0 HG13 VAL A 43 2.237 -6.949 -7.122 1.00 41.32 H new ATOM 0 HG21 VAL A 43 1.914 -10.016 -7.234 1.00 41.35 H new ATOM 0 HG22 VAL A 43 3.462 -9.184 -7.515 1.00 41.35 H new ATOM 0 HG23 VAL A 43 3.345 -10.446 -6.267 1.00 41.35 H new ATOM 701 N VAL A 44 5.696 -8.992 -4.032 1.00 70.24 N ATOM 702 CA VAL A 44 6.500 -10.070 -3.447 1.00 2.24 C ATOM 703 C VAL A 44 6.786 -9.872 -1.944 1.00 5.55 C ATOM 704 O VAL A 44 7.098 -8.772 -1.485 1.00 3.15 O ATOM 705 CB VAL A 44 7.841 -10.230 -4.207 1.00 60.51 C ATOM 706 CG1 VAL A 44 8.678 -8.954 -4.126 1.00 13.22 C ATOM 707 CG2 VAL A 44 8.616 -11.434 -3.681 1.00 44.12 C ATOM 0 H VAL A 44 6.225 -8.153 -4.267 1.00 70.24 H new ATOM 0 HA VAL A 44 5.902 -10.975 -3.548 1.00 2.24 H new ATOM 0 HB VAL A 44 7.616 -10.406 -5.259 1.00 60.51 H new ATOM 0 HG11 VAL A 44 9.613 -9.097 -4.668 1.00 13.22 H new ATOM 0 HG12 VAL A 44 8.124 -8.127 -4.569 1.00 13.22 H new ATOM 0 HG13 VAL A 44 8.895 -8.727 -3.082 1.00 13.22 H new ATOM 0 HG21 VAL A 44 9.554 -11.530 -4.227 1.00 44.12 H new ATOM 0 HG22 VAL A 44 8.826 -11.296 -2.620 1.00 44.12 H new ATOM 0 HG23 VAL A 44 8.022 -12.338 -3.819 1.00 44.12 H new ATOM 717 N GLU A 45 6.683 -10.971 -1.197 1.00 53.02 N ATOM 718 CA GLU A 45 7.000 -11.002 0.236 1.00 12.44 C ATOM 719 C GLU A 45 8.513 -11.139 0.484 1.00 44.22 C ATOM 720 O GLU A 45 9.272 -11.536 -0.406 1.00 25.35 O ATOM 721 CB GLU A 45 6.273 -12.187 0.887 1.00 74.03 C ATOM 722 CG GLU A 45 4.772 -11.987 1.070 1.00 32.43 C ATOM 723 CD GLU A 45 4.445 -11.198 2.327 1.00 4.11 C ATOM 724 OE1 GLU A 45 4.483 -11.795 3.425 1.00 32.51 O ATOM 725 OE2 GLU A 45 4.158 -9.992 2.233 1.00 70.23 O ATOM 0 H GLU A 45 6.376 -11.870 -1.568 1.00 53.02 H new ATOM 0 HA GLU A 45 6.671 -10.060 0.675 1.00 12.44 H new ATOM 0 HB2 GLU A 45 6.436 -13.076 0.278 1.00 74.03 H new ATOM 0 HB3 GLU A 45 6.722 -12.381 1.861 1.00 74.03 H new ATOM 0 HG2 GLU A 45 4.368 -11.466 0.202 1.00 32.43 H new ATOM 0 HG3 GLU A 45 4.281 -12.959 1.116 1.00 32.43 H new ATOM 732 N ASN A 46 8.943 -10.833 1.710 1.00 51.12 N ATOM 733 CA ASN A 46 10.351 -10.979 2.099 1.00 2.14 C ATOM 734 C ASN A 46 10.740 -12.464 2.205 1.00 72.14 C ATOM 735 O ASN A 46 10.714 -13.057 3.287 1.00 64.43 O ATOM 736 CB ASN A 46 10.621 -10.260 3.427 1.00 31.12 C ATOM 737 CG ASN A 46 10.385 -8.765 3.327 1.00 50.40 C ATOM 738 OD1 ASN A 46 9.277 -8.282 3.533 1.00 42.12 O ATOM 739 ND2 ASN A 46 11.426 -8.019 3.018 1.00 5.22 N ATOM 0 H ASN A 46 8.338 -10.482 2.452 1.00 51.12 H new ATOM 0 HA ASN A 46 10.965 -10.520 1.324 1.00 2.14 H new ATOM 0 HB2 ASN A 46 9.977 -10.677 4.201 1.00 31.12 H new ATOM 0 HB3 ASN A 46 11.650 -10.444 3.735 1.00 31.12 H new ATOM 0 HD21 ASN A 46 11.324 -7.007 2.944 1.00 5.22 H new ATOM 0 HD22 ASN A 46 12.334 -8.454 2.853 1.00 5.22 H new ATOM 746 N THR A 47 11.076 -13.059 1.063 1.00 31.11 N ATOM 747 CA THR A 47 11.416 -14.489 0.989 1.00 51.43 C ATOM 748 C THR A 47 12.841 -14.705 0.461 1.00 5.30 C ATOM 749 O THR A 47 13.479 -13.774 -0.036 1.00 13.04 O ATOM 750 CB THR A 47 10.432 -15.257 0.067 1.00 52.03 C ATOM 751 OG1 THR A 47 10.542 -14.777 -1.285 1.00 20.21 O ATOM 752 CG2 THR A 47 8.989 -15.097 0.544 1.00 72.43 C ATOM 0 H THR A 47 11.122 -12.574 0.167 1.00 31.11 H new ATOM 0 HA THR A 47 11.344 -14.874 2.006 1.00 51.43 H new ATOM 0 HB THR A 47 10.697 -16.314 0.105 1.00 52.03 H new ATOM 0 HG1 THR A 47 9.918 -15.269 -1.859 1.00 20.21 H new ATOM 0 HG21 THR A 47 8.323 -15.646 -0.122 1.00 72.43 H new ATOM 0 HG22 THR A 47 8.895 -15.490 1.556 1.00 72.43 H new ATOM 0 HG23 THR A 47 8.719 -14.041 0.538 1.00 72.43 H new ATOM 760 N ALA A 48 13.336 -15.938 0.566 1.00 53.25 N ATOM 761 CA ALA A 48 14.667 -16.284 0.056 1.00 65.41 C ATOM 762 C ALA A 48 14.711 -16.218 -1.481 1.00 24.40 C ATOM 763 O ALA A 48 14.277 -17.147 -2.162 1.00 54.01 O ATOM 764 CB ALA A 48 15.077 -17.670 0.548 1.00 1.52 C ATOM 0 H ALA A 48 12.837 -16.715 0.999 1.00 53.25 H new ATOM 0 HA ALA A 48 15.378 -15.552 0.439 1.00 65.41 H new ATOM 0 HB1 ALA A 48 16.067 -17.915 0.162 1.00 1.52 H new ATOM 0 HB2 ALA A 48 15.100 -17.677 1.638 1.00 1.52 H new ATOM 0 HB3 ALA A 48 14.357 -18.409 0.196 1.00 1.52 H new ATOM 770 N ASN A 49 15.226 -15.107 -2.013 1.00 41.25 N ATOM 771 CA ASN A 49 15.294 -14.871 -3.467 1.00 52.13 C ATOM 772 C ASN A 49 13.890 -14.825 -4.100 1.00 60.02 C ATOM 773 O ASN A 49 13.317 -15.861 -4.451 1.00 5.30 O ATOM 774 CB ASN A 49 16.161 -15.929 -4.170 1.00 14.31 C ATOM 775 CG ASN A 49 17.594 -15.916 -3.676 1.00 75.23 C ATOM 776 OD1 ASN A 49 18.437 -15.185 -4.186 1.00 1.12 O ATOM 777 ND2 ASN A 49 17.883 -16.726 -2.680 1.00 63.25 N ATOM 0 H ASN A 49 15.608 -14.344 -1.454 1.00 41.25 H new ATOM 0 HA ASN A 49 15.763 -13.897 -3.608 1.00 52.13 H new ATOM 0 HB2 ASN A 49 15.731 -16.917 -4.005 1.00 14.31 H new ATOM 0 HB3 ASN A 49 16.148 -15.751 -5.245 1.00 14.31 H new ATOM 0 HD21 ASN A 49 18.832 -16.759 -2.309 1.00 63.25 H new ATOM 0 HD22 ASN A 49 17.158 -17.321 -2.279 1.00 63.25 H new ATOM 784 N PRO A 50 13.309 -13.615 -4.231 1.00 63.15 N ATOM 785 CA PRO A 50 11.973 -13.420 -4.831 1.00 71.50 C ATOM 786 C PRO A 50 11.824 -14.062 -6.224 1.00 72.43 C ATOM 787 O PRO A 50 12.470 -13.637 -7.183 1.00 11.30 O ATOM 788 CB PRO A 50 11.865 -11.893 -4.940 1.00 41.10 C ATOM 789 CG PRO A 50 12.739 -11.380 -3.850 1.00 41.44 C ATOM 790 CD PRO A 50 13.900 -12.333 -3.787 1.00 42.33 C ATOM 0 HA PRO A 50 11.195 -13.891 -4.231 1.00 71.50 H new ATOM 0 HB2 PRO A 50 12.199 -11.540 -5.916 1.00 41.10 H new ATOM 0 HB3 PRO A 50 10.835 -11.558 -4.815 1.00 41.10 H new ATOM 0 HG2 PRO A 50 13.075 -10.365 -4.061 1.00 41.44 H new ATOM 0 HG3 PRO A 50 12.205 -11.348 -2.900 1.00 41.44 H new ATOM 0 HD2 PRO A 50 14.715 -12.018 -4.439 1.00 42.33 H new ATOM 0 HD3 PRO A 50 14.308 -12.405 -2.779 1.00 42.33 H new ATOM 798 N HIS A 51 10.978 -15.091 -6.328 1.00 1.34 N ATOM 799 CA HIS A 51 10.735 -15.768 -7.613 1.00 43.15 C ATOM 800 C HIS A 51 9.257 -16.160 -7.803 1.00 70.21 C ATOM 801 O HIS A 51 8.487 -16.237 -6.845 1.00 64.51 O ATOM 802 CB HIS A 51 11.626 -17.014 -7.747 1.00 1.12 C ATOM 803 CG HIS A 51 13.083 -16.696 -7.914 1.00 71.23 C ATOM 804 ND1 HIS A 51 13.583 -15.998 -8.994 1.00 23.41 N ATOM 805 CD2 HIS A 51 14.151 -16.976 -7.130 1.00 52.32 C ATOM 806 CE1 HIS A 51 14.887 -15.866 -8.868 1.00 40.22 C ATOM 807 NE2 HIS A 51 15.256 -16.448 -7.748 1.00 24.25 N ATOM 0 H HIS A 51 10.450 -15.475 -5.544 1.00 1.34 H new ATOM 0 HA HIS A 51 10.989 -15.053 -8.396 1.00 43.15 H new ATOM 0 HB2 HIS A 51 11.498 -17.639 -6.863 1.00 1.12 H new ATOM 0 HB3 HIS A 51 11.290 -17.600 -8.603 1.00 1.12 H new ATOM 0 HD2 HIS A 51 14.136 -17.514 -6.194 1.00 52.32 H new ATOM 0 HE1 HIS A 51 15.542 -15.365 -9.566 1.00 40.22 H new ATOM 0 HE2 HIS A 51 16.212 -16.499 -7.395 1.00 24.25 H new ATOM 816 N PHE A 52 8.892 -16.435 -9.056 1.00 40.41 N ATOM 817 CA PHE A 52 7.512 -16.784 -9.440 1.00 35.14 C ATOM 818 C PHE A 52 7.103 -18.189 -8.938 1.00 21.15 C ATOM 819 O PHE A 52 5.961 -18.623 -9.122 1.00 63.13 O ATOM 820 CB PHE A 52 7.390 -16.697 -10.973 1.00 2.41 C ATOM 821 CG PHE A 52 5.981 -16.835 -11.506 1.00 44.40 C ATOM 822 CD1 PHE A 52 5.078 -15.786 -11.397 1.00 74.31 C ATOM 823 CD2 PHE A 52 5.567 -18.007 -12.127 1.00 64.21 C ATOM 824 CE1 PHE A 52 3.793 -15.907 -11.887 1.00 11.44 C ATOM 825 CE2 PHE A 52 4.283 -18.131 -12.618 1.00 22.14 C ATOM 826 CZ PHE A 52 3.397 -17.079 -12.499 1.00 34.02 C ATOM 0 H PHE A 52 9.544 -16.423 -9.841 1.00 40.41 H new ATOM 0 HA PHE A 52 6.830 -16.076 -8.968 1.00 35.14 H new ATOM 0 HB2 PHE A 52 7.796 -15.740 -11.302 1.00 2.41 H new ATOM 0 HB3 PHE A 52 8.010 -17.476 -11.418 1.00 2.41 H new ATOM 0 HD1 PHE A 52 5.384 -14.865 -10.924 1.00 74.31 H new ATOM 0 HD2 PHE A 52 6.258 -18.831 -12.227 1.00 64.21 H new ATOM 0 HE1 PHE A 52 3.098 -15.086 -11.792 1.00 11.44 H new ATOM 0 HE2 PHE A 52 3.972 -19.049 -13.094 1.00 22.14 H new ATOM 0 HZ PHE A 52 2.393 -17.173 -12.885 1.00 34.02 H new ATOM 836 N VAL A 53 8.043 -18.887 -8.297 1.00 60.40 N ATOM 837 CA VAL A 53 7.801 -20.237 -7.759 1.00 45.21 C ATOM 838 C VAL A 53 6.595 -20.278 -6.796 1.00 64.23 C ATOM 839 O VAL A 53 5.894 -21.291 -6.700 1.00 32.31 O ATOM 840 CB VAL A 53 9.065 -20.773 -7.030 1.00 24.33 C ATOM 841 CG1 VAL A 53 9.440 -19.874 -5.851 1.00 63.13 C ATOM 842 CG2 VAL A 53 8.868 -22.221 -6.574 1.00 60.34 C ATOM 0 H VAL A 53 8.988 -18.540 -8.135 1.00 60.40 H new ATOM 0 HA VAL A 53 7.571 -20.876 -8.612 1.00 45.21 H new ATOM 0 HB VAL A 53 9.891 -20.757 -7.741 1.00 24.33 H new ATOM 0 HG11 VAL A 53 10.327 -20.271 -5.358 1.00 63.13 H new ATOM 0 HG12 VAL A 53 9.646 -18.867 -6.213 1.00 63.13 H new ATOM 0 HG13 VAL A 53 8.614 -19.842 -5.140 1.00 63.13 H new ATOM 0 HG21 VAL A 53 9.768 -22.569 -6.067 1.00 60.34 H new ATOM 0 HG22 VAL A 53 8.022 -22.275 -5.888 1.00 60.34 H new ATOM 0 HG23 VAL A 53 8.673 -22.852 -7.441 1.00 60.34 H new ATOM 852 N ARG A 54 6.351 -19.172 -6.094 1.00 1.50 N ATOM 853 CA ARG A 54 5.235 -19.081 -5.143 1.00 43.30 C ATOM 854 C ARG A 54 4.092 -18.227 -5.726 1.00 1.44 C ATOM 855 O ARG A 54 4.303 -17.450 -6.657 1.00 54.11 O ATOM 856 CB ARG A 54 5.730 -18.488 -3.810 1.00 54.44 C ATOM 857 CG ARG A 54 4.739 -18.635 -2.654 1.00 51.42 C ATOM 858 CD ARG A 54 4.422 -20.100 -2.368 1.00 24.13 C ATOM 859 NE ARG A 54 3.504 -20.269 -1.245 1.00 32.32 N ATOM 860 CZ ARG A 54 2.782 -21.338 -1.045 1.00 52.55 C ATOM 861 NH1 ARG A 54 2.774 -22.300 -1.908 1.00 45.21 N ATOM 862 NH2 ARG A 54 2.043 -21.431 0.006 1.00 40.24 N ATOM 0 H ARG A 54 6.911 -18.322 -6.164 1.00 1.50 H new ATOM 0 HA ARG A 54 4.847 -20.083 -4.960 1.00 43.30 H new ATOM 0 HB2 ARG A 54 6.667 -18.973 -3.535 1.00 54.44 H new ATOM 0 HB3 ARG A 54 5.949 -17.430 -3.954 1.00 54.44 H new ATOM 0 HG2 ARG A 54 5.152 -18.170 -1.759 1.00 51.42 H new ATOM 0 HG3 ARG A 54 3.818 -18.103 -2.894 1.00 51.42 H new ATOM 0 HD2 ARG A 54 3.988 -20.554 -3.259 1.00 24.13 H new ATOM 0 HD3 ARG A 54 5.349 -20.634 -2.158 1.00 24.13 H new ATOM 0 HE ARG A 54 3.422 -19.504 -0.575 1.00 32.32 H new ATOM 0 HH11 ARG A 54 3.336 -22.229 -2.756 1.00 45.21 H new ATOM 0 HH12 ARG A 54 2.206 -23.130 -1.741 1.00 45.21 H new ATOM 0 HH21 ARG A 54 2.021 -20.669 0.683 1.00 40.24 H new ATOM 0 HH22 ARG A 54 1.479 -22.267 0.161 1.00 40.24 H new ATOM 876 N ARG A 55 2.880 -18.376 -5.183 1.00 43.12 N ATOM 877 CA ARG A 55 1.719 -17.628 -5.684 1.00 24.21 C ATOM 878 C ARG A 55 1.746 -16.150 -5.267 1.00 65.33 C ATOM 879 O ARG A 55 1.513 -15.806 -4.108 1.00 35.21 O ATOM 880 CB ARG A 55 0.407 -18.295 -5.241 1.00 23.34 C ATOM 881 CG ARG A 55 0.158 -19.660 -5.890 1.00 72.20 C ATOM 882 CD ARG A 55 0.084 -19.576 -7.418 1.00 51.24 C ATOM 883 NE ARG A 55 1.381 -19.256 -8.022 1.00 24.43 N ATOM 884 CZ ARG A 55 1.552 -18.433 -9.023 1.00 40.12 C ATOM 885 NH1 ARG A 55 0.537 -17.883 -9.605 1.00 54.44 N ATOM 886 NH2 ARG A 55 2.748 -18.164 -9.441 1.00 30.22 N ATOM 0 H ARG A 55 2.676 -19.001 -4.403 1.00 43.12 H new ATOM 0 HA ARG A 55 1.774 -17.651 -6.772 1.00 24.21 H new ATOM 0 HB2 ARG A 55 0.419 -18.415 -4.158 1.00 23.34 H new ATOM 0 HB3 ARG A 55 -0.425 -17.633 -5.479 1.00 23.34 H new ATOM 0 HG2 ARG A 55 0.956 -20.346 -5.605 1.00 72.20 H new ATOM 0 HG3 ARG A 55 -0.773 -20.077 -5.506 1.00 72.20 H new ATOM 0 HD2 ARG A 55 -0.274 -20.526 -7.815 1.00 51.24 H new ATOM 0 HD3 ARG A 55 -0.644 -18.817 -7.703 1.00 51.24 H new ATOM 0 HE ARG A 55 2.209 -19.708 -7.633 1.00 24.43 H new ATOM 0 HH11 ARG A 55 -0.409 -18.090 -9.284 1.00 54.44 H new ATOM 0 HH12 ARG A 55 0.682 -17.242 -10.385 1.00 54.44 H new ATOM 0 HH21 ARG A 55 3.555 -18.594 -8.989 1.00 30.22 H new ATOM 0 HH22 ARG A 55 2.883 -17.522 -10.222 1.00 30.22 H new ATOM 900 N ASN A 56 2.038 -15.291 -6.241 1.00 4.02 N ATOM 901 CA ASN A 56 2.066 -13.833 -6.050 1.00 71.32 C ATOM 902 C ASN A 56 0.648 -13.233 -5.947 1.00 13.20 C ATOM 903 O ASN A 56 0.253 -12.385 -6.752 1.00 54.43 O ATOM 904 CB ASN A 56 2.839 -13.195 -7.213 1.00 73.50 C ATOM 905 CG ASN A 56 2.354 -13.693 -8.565 1.00 5.11 C ATOM 906 OD1 ASN A 56 2.851 -14.682 -9.089 1.00 54.12 O ATOM 907 ND2 ASN A 56 1.369 -13.028 -9.132 1.00 2.01 N ATOM 0 H ASN A 56 2.264 -15.583 -7.192 1.00 4.02 H new ATOM 0 HA ASN A 56 2.566 -13.618 -5.106 1.00 71.32 H new ATOM 0 HB2 ASN A 56 2.732 -12.111 -7.167 1.00 73.50 H new ATOM 0 HB3 ASN A 56 3.901 -13.416 -7.106 1.00 73.50 H new ATOM 0 HD21 ASN A 56 0.999 -13.333 -10.032 1.00 2.01 H new ATOM 0 HD22 ASN A 56 0.976 -12.208 -8.671 1.00 2.01 H new ATOM 914 N ILE A 57 -0.110 -13.670 -4.946 1.00 22.04 N ATOM 915 CA ILE A 57 -1.489 -13.208 -4.754 1.00 74.33 C ATOM 916 C ILE A 57 -1.558 -12.020 -3.774 1.00 54.24 C ATOM 917 O ILE A 57 -0.880 -12.000 -2.742 1.00 41.34 O ATOM 918 CB ILE A 57 -2.401 -14.362 -4.248 1.00 0.21 C ATOM 919 CG1 ILE A 57 -3.860 -13.892 -4.092 1.00 41.30 C ATOM 920 CG2 ILE A 57 -1.875 -14.939 -2.934 1.00 55.54 C ATOM 921 CD1 ILE A 57 -4.513 -13.464 -5.391 1.00 22.12 C ATOM 0 H ILE A 57 0.205 -14.346 -4.250 1.00 22.04 H new ATOM 0 HA ILE A 57 -1.851 -12.873 -5.726 1.00 74.33 H new ATOM 0 HB ILE A 57 -2.382 -15.152 -4.998 1.00 0.21 H new ATOM 0 HG12 ILE A 57 -4.446 -14.699 -3.652 1.00 41.30 H new ATOM 0 HG13 ILE A 57 -3.889 -13.058 -3.391 1.00 41.30 H new ATOM 0 HG21 ILE A 57 -2.531 -15.744 -2.602 1.00 55.54 H new ATOM 0 HG22 ILE A 57 -0.869 -15.329 -3.085 1.00 55.54 H new ATOM 0 HG23 ILE A 57 -1.850 -14.155 -2.177 1.00 55.54 H new ATOM 0 HD11 ILE A 57 -5.538 -13.148 -5.196 1.00 22.12 H new ATOM 0 HD12 ILE A 57 -3.953 -12.635 -5.824 1.00 22.12 H new ATOM 0 HD13 ILE A 57 -4.518 -14.301 -6.089 1.00 22.12 H new ATOM 933 N ILE A 58 -2.370 -11.022 -4.116 1.00 51.33 N ATOM 934 CA ILE A 58 -2.556 -9.843 -3.265 1.00 73.30 C ATOM 935 C ILE A 58 -3.655 -10.086 -2.216 1.00 73.21 C ATOM 936 O ILE A 58 -4.844 -10.061 -2.535 1.00 40.32 O ATOM 937 CB ILE A 58 -2.922 -8.591 -4.111 1.00 5.42 C ATOM 938 CG1 ILE A 58 -1.849 -8.333 -5.183 1.00 4.33 C ATOM 939 CG2 ILE A 58 -3.098 -7.360 -3.218 1.00 61.14 C ATOM 940 CD1 ILE A 58 -2.160 -7.164 -6.095 1.00 65.12 C ATOM 0 H ILE A 58 -2.913 -11.004 -4.979 1.00 51.33 H new ATOM 0 HA ILE A 58 -1.609 -9.662 -2.756 1.00 73.30 H new ATOM 0 HB ILE A 58 -3.871 -8.784 -4.611 1.00 5.42 H new ATOM 0 HG12 ILE A 58 -0.894 -8.153 -4.690 1.00 4.33 H new ATOM 0 HG13 ILE A 58 -1.731 -9.232 -5.788 1.00 4.33 H new ATOM 0 HG21 ILE A 58 -3.354 -6.498 -3.834 1.00 61.14 H new ATOM 0 HG22 ILE A 58 -3.897 -7.543 -2.500 1.00 61.14 H new ATOM 0 HG23 ILE A 58 -2.169 -7.162 -2.684 1.00 61.14 H new ATOM 0 HD11 ILE A 58 -1.357 -7.047 -6.823 1.00 65.12 H new ATOM 0 HD12 ILE A 58 -3.099 -7.350 -6.617 1.00 65.12 H new ATOM 0 HD13 ILE A 58 -2.248 -6.254 -5.502 1.00 65.12 H new ATOM 952 N THR A 59 -3.250 -10.340 -0.970 1.00 41.11 N ATOM 953 CA THR A 59 -4.198 -10.578 0.133 1.00 34.34 C ATOM 954 C THR A 59 -3.803 -9.799 1.391 1.00 42.14 C ATOM 955 O THR A 59 -2.649 -9.392 1.538 1.00 4.45 O ATOM 956 CB THR A 59 -4.290 -12.081 0.492 1.00 63.10 C ATOM 957 OG1 THR A 59 -2.987 -12.604 0.812 1.00 30.02 O ATOM 958 CG2 THR A 59 -4.884 -12.880 -0.661 1.00 64.12 C ATOM 0 H THR A 59 -2.269 -10.387 -0.694 1.00 41.11 H new ATOM 0 HA THR A 59 -5.169 -10.231 -0.219 1.00 34.34 H new ATOM 0 HB THR A 59 -4.941 -12.175 1.361 1.00 63.10 H new ATOM 0 HG1 THR A 59 -3.063 -13.555 1.038 1.00 30.02 H new ATOM 0 HG21 THR A 59 -4.938 -13.933 -0.384 1.00 64.12 H new ATOM 0 HG22 THR A 59 -5.886 -12.511 -0.882 1.00 64.12 H new ATOM 0 HG23 THR A 59 -4.254 -12.769 -1.543 1.00 64.12 H new ATOM 966 N ARG A 60 -4.760 -9.604 2.300 1.00 61.35 N ATOM 967 CA ARG A 60 -4.513 -8.864 3.544 1.00 52.55 C ATOM 968 C ARG A 60 -3.315 -9.447 4.313 1.00 10.22 C ATOM 969 O ARG A 60 -3.321 -10.621 4.700 1.00 32.30 O ATOM 970 CB ARG A 60 -5.759 -8.877 4.442 1.00 51.40 C ATOM 971 CG ARG A 60 -5.642 -7.956 5.657 1.00 43.21 C ATOM 972 CD ARG A 60 -6.750 -8.205 6.678 1.00 41.24 C ATOM 973 NE ARG A 60 -6.668 -9.549 7.245 1.00 21.11 N ATOM 974 CZ ARG A 60 -7.449 -10.008 8.186 1.00 12.12 C ATOM 975 NH1 ARG A 60 -8.379 -9.268 8.700 1.00 65.31 N ATOM 976 NH2 ARG A 60 -7.280 -11.211 8.622 1.00 41.04 N ATOM 0 H ARG A 60 -5.715 -9.948 2.200 1.00 61.35 H new ATOM 0 HA ARG A 60 -4.281 -7.835 3.270 1.00 52.55 H new ATOM 0 HB2 ARG A 60 -6.626 -8.579 3.852 1.00 51.40 H new ATOM 0 HB3 ARG A 60 -5.941 -9.896 4.784 1.00 51.40 H new ATOM 0 HG2 ARG A 60 -4.672 -8.105 6.132 1.00 43.21 H new ATOM 0 HG3 ARG A 60 -5.680 -6.917 5.329 1.00 43.21 H new ATOM 0 HD2 ARG A 60 -6.681 -7.468 7.478 1.00 41.24 H new ATOM 0 HD3 ARG A 60 -7.721 -8.069 6.202 1.00 41.24 H new ATOM 0 HE ARG A 60 -5.949 -10.174 6.880 1.00 21.11 H new ATOM 0 HH11 ARG A 60 -8.510 -8.312 8.371 1.00 65.31 H new ATOM 0 HH12 ARG A 60 -8.981 -9.642 9.434 1.00 65.31 H new ATOM 0 HH21 ARG A 60 -6.541 -11.796 8.232 1.00 41.04 H new ATOM 0 HH22 ARG A 60 -7.886 -11.577 9.357 1.00 41.04 H new ATOM 990 N GLY A 61 -2.294 -8.623 4.521 1.00 11.14 N ATOM 991 CA GLY A 61 -1.084 -9.060 5.206 1.00 14.34 C ATOM 992 C GLY A 61 0.142 -9.041 4.301 1.00 45.20 C ATOM 993 O GLY A 61 1.275 -9.017 4.782 1.00 34.11 O ATOM 0 H GLY A 61 -2.281 -7.647 4.224 1.00 11.14 H new ATOM 0 HA2 GLY A 61 -0.905 -8.415 6.067 1.00 14.34 H new ATOM 0 HA3 GLY A 61 -1.232 -10.070 5.589 1.00 14.34 H new ATOM 997 N ALA A 62 -0.087 -9.058 2.988 1.00 24.11 N ATOM 998 CA ALA A 62 1.003 -9.061 2.003 1.00 31.41 C ATOM 999 C ALA A 62 1.607 -7.659 1.798 1.00 62.44 C ATOM 1000 O ALA A 62 0.942 -6.642 2.009 1.00 64.13 O ATOM 1001 CB ALA A 62 0.501 -9.618 0.673 1.00 33.45 C ATOM 0 H ALA A 62 -1.021 -9.070 2.577 1.00 24.11 H new ATOM 0 HA ALA A 62 1.795 -9.700 2.393 1.00 31.41 H new ATOM 0 HB1 ALA A 62 1.315 -9.617 -0.052 1.00 33.45 H new ATOM 0 HB2 ALA A 62 0.144 -10.638 0.817 1.00 33.45 H new ATOM 0 HB3 ALA A 62 -0.315 -8.997 0.303 1.00 33.45 H new ATOM 1007 N VAL A 63 2.872 -7.621 1.385 1.00 30.05 N ATOM 1008 CA VAL A 63 3.582 -6.360 1.133 1.00 55.02 C ATOM 1009 C VAL A 63 3.753 -6.096 -0.375 1.00 2.41 C ATOM 1010 O VAL A 63 4.458 -6.826 -1.071 1.00 71.51 O ATOM 1011 CB VAL A 63 4.978 -6.363 1.810 1.00 15.20 C ATOM 1012 CG1 VAL A 63 5.741 -5.075 1.505 1.00 33.54 C ATOM 1013 CG2 VAL A 63 4.839 -6.567 3.319 1.00 4.43 C ATOM 0 H VAL A 63 3.434 -8.455 1.215 1.00 30.05 H new ATOM 0 HA VAL A 63 2.973 -5.564 1.562 1.00 55.02 H new ATOM 0 HB VAL A 63 5.552 -7.194 1.400 1.00 15.20 H new ATOM 0 HG11 VAL A 63 6.715 -5.105 1.992 1.00 33.54 H new ATOM 0 HG12 VAL A 63 5.877 -4.979 0.428 1.00 33.54 H new ATOM 0 HG13 VAL A 63 5.176 -4.220 1.877 1.00 33.54 H new ATOM 0 HG21 VAL A 63 5.827 -6.567 3.779 1.00 4.43 H new ATOM 0 HG22 VAL A 63 4.242 -5.759 3.742 1.00 4.43 H new ATOM 0 HG23 VAL A 63 4.349 -7.521 3.514 1.00 4.43 H new ATOM 1023 N VAL A 64 3.103 -5.046 -0.870 1.00 11.40 N ATOM 1024 CA VAL A 64 3.225 -4.648 -2.277 1.00 20.12 C ATOM 1025 C VAL A 64 4.145 -3.420 -2.436 1.00 31.51 C ATOM 1026 O VAL A 64 3.879 -2.346 -1.897 1.00 41.41 O ATOM 1027 CB VAL A 64 1.833 -4.354 -2.910 1.00 52.20 C ATOM 1028 CG1 VAL A 64 0.990 -5.627 -2.978 1.00 43.33 C ATOM 1029 CG2 VAL A 64 1.089 -3.256 -2.144 1.00 11.15 C ATOM 0 H VAL A 64 2.484 -4.451 -0.319 1.00 11.40 H new ATOM 0 HA VAL A 64 3.673 -5.489 -2.806 1.00 20.12 H new ATOM 0 HB VAL A 64 2.002 -3.995 -3.925 1.00 52.20 H new ATOM 0 HG11 VAL A 64 0.022 -5.399 -3.423 1.00 43.33 H new ATOM 0 HG12 VAL A 64 1.503 -6.371 -3.587 1.00 43.33 H new ATOM 0 HG13 VAL A 64 0.843 -6.020 -1.972 1.00 43.33 H new ATOM 0 HG21 VAL A 64 0.122 -3.077 -2.613 1.00 11.15 H new ATOM 0 HG22 VAL A 64 0.939 -3.571 -1.111 1.00 11.15 H new ATOM 0 HG23 VAL A 64 1.677 -2.338 -2.162 1.00 11.15 H new ATOM 1039 N GLU A 65 5.238 -3.593 -3.171 1.00 40.03 N ATOM 1040 CA GLU A 65 6.199 -2.512 -3.412 1.00 31.20 C ATOM 1041 C GLU A 65 5.680 -1.535 -4.484 1.00 72.43 C ATOM 1042 O GLU A 65 5.610 -1.871 -5.670 1.00 40.40 O ATOM 1043 CB GLU A 65 7.548 -3.105 -3.843 1.00 33.24 C ATOM 1044 CG GLU A 65 8.666 -2.078 -3.985 1.00 21.41 C ATOM 1045 CD GLU A 65 9.948 -2.679 -4.547 1.00 43.05 C ATOM 1046 OE1 GLU A 65 10.650 -3.404 -3.810 1.00 22.33 O ATOM 1047 OE2 GLU A 65 10.248 -2.448 -5.736 1.00 1.20 O ATOM 0 H GLU A 65 5.486 -4.477 -3.615 1.00 40.03 H new ATOM 0 HA GLU A 65 6.329 -1.954 -2.485 1.00 31.20 H new ATOM 0 HB2 GLU A 65 7.851 -3.857 -3.114 1.00 33.24 H new ATOM 0 HB3 GLU A 65 7.419 -3.619 -4.796 1.00 33.24 H new ATOM 0 HG2 GLU A 65 8.332 -1.271 -4.637 1.00 21.41 H new ATOM 0 HG3 GLU A 65 8.874 -1.636 -3.011 1.00 21.41 H new ATOM 1054 N THR A 66 5.303 -0.332 -4.053 1.00 41.44 N ATOM 1055 CA THR A 66 4.792 0.703 -4.964 1.00 31.40 C ATOM 1056 C THR A 66 5.859 1.765 -5.247 1.00 4.44 C ATOM 1057 O THR A 66 6.898 1.801 -4.590 1.00 24.42 O ATOM 1058 CB THR A 66 3.548 1.417 -4.379 1.00 31.41 C ATOM 1059 OG1 THR A 66 3.939 2.275 -3.293 1.00 34.11 O ATOM 1060 CG2 THR A 66 2.516 0.409 -3.886 1.00 11.01 C ATOM 0 H THR A 66 5.340 -0.045 -3.075 1.00 41.44 H new ATOM 0 HA THR A 66 4.518 0.191 -5.887 1.00 31.40 H new ATOM 0 HB THR A 66 3.097 2.012 -5.173 1.00 31.41 H new ATOM 0 HG1 THR A 66 4.541 1.788 -2.692 1.00 34.11 H new ATOM 0 HG21 THR A 66 1.654 0.939 -3.481 1.00 11.01 H new ATOM 0 HG22 THR A 66 2.197 -0.221 -4.716 1.00 11.01 H new ATOM 0 HG23 THR A 66 2.958 -0.213 -3.108 1.00 11.01 H new ATOM 1068 N ASN A 67 5.593 2.640 -6.218 1.00 60.12 N ATOM 1069 CA ASN A 67 6.545 3.709 -6.572 1.00 62.34 C ATOM 1070 C ASN A 67 6.860 4.644 -5.380 1.00 22.31 C ATOM 1071 O ASN A 67 7.885 5.329 -5.371 1.00 1.51 O ATOM 1072 CB ASN A 67 6.031 4.532 -7.768 1.00 64.33 C ATOM 1073 CG ASN A 67 4.859 5.448 -7.439 1.00 11.51 C ATOM 1074 OD1 ASN A 67 4.748 6.539 -7.984 1.00 63.31 O ATOM 1075 ND2 ASN A 67 3.962 5.021 -6.572 1.00 34.12 N ATOM 0 H ASN A 67 4.737 2.636 -6.772 1.00 60.12 H new ATOM 0 HA ASN A 67 7.474 3.213 -6.852 1.00 62.34 H new ATOM 0 HB2 ASN A 67 6.851 5.135 -8.158 1.00 64.33 H new ATOM 0 HB3 ASN A 67 5.732 3.849 -8.563 1.00 64.33 H new ATOM 0 HD21 ASN A 67 3.156 5.603 -6.344 1.00 34.12 H new ATOM 0 HD22 ASN A 67 4.074 4.109 -6.130 1.00 34.12 H new ATOM 1082 N LEU A 68 5.977 4.668 -4.379 1.00 2.15 N ATOM 1083 CA LEU A 68 6.189 5.481 -3.170 1.00 34.11 C ATOM 1084 C LEU A 68 6.953 4.691 -2.093 1.00 73.04 C ATOM 1085 O LEU A 68 7.628 5.273 -1.236 1.00 22.10 O ATOM 1086 CB LEU A 68 4.841 5.953 -2.601 1.00 61.12 C ATOM 1087 CG LEU A 68 3.987 6.824 -3.540 1.00 25.13 C ATOM 1088 CD1 LEU A 68 2.663 7.195 -2.873 1.00 0.45 C ATOM 1089 CD2 LEU A 68 4.751 8.078 -3.965 1.00 43.41 C ATOM 0 H LEU A 68 5.107 4.135 -4.378 1.00 2.15 H new ATOM 0 HA LEU A 68 6.787 6.347 -3.454 1.00 34.11 H new ATOM 0 HB2 LEU A 68 4.259 5.075 -2.321 1.00 61.12 H new ATOM 0 HB3 LEU A 68 5.031 6.515 -1.687 1.00 61.12 H new ATOM 0 HG LEU A 68 3.767 6.244 -4.436 1.00 25.13 H new ATOM 0 HD11 LEU A 68 2.073 7.811 -3.552 1.00 0.45 H new ATOM 0 HD12 LEU A 68 2.110 6.287 -2.633 1.00 0.45 H new ATOM 0 HD13 LEU A 68 2.861 7.752 -1.957 1.00 0.45 H new ATOM 0 HD21 LEU A 68 4.127 8.677 -4.628 1.00 43.41 H new ATOM 0 HD22 LEU A 68 5.009 8.663 -3.082 1.00 43.41 H new ATOM 0 HD23 LEU A 68 5.663 7.789 -4.488 1.00 43.41 H new ATOM 1101 N GLY A 69 6.843 3.369 -2.150 1.00 41.41 N ATOM 1102 CA GLY A 69 7.467 2.512 -1.151 1.00 63.20 C ATOM 1103 C GLY A 69 6.673 1.236 -0.890 1.00 31.03 C ATOM 1104 O GLY A 69 5.651 0.985 -1.538 1.00 73.30 O ATOM 0 H GLY A 69 6.329 2.869 -2.875 1.00 41.41 H new ATOM 0 HA2 GLY A 69 8.472 2.248 -1.481 1.00 63.20 H new ATOM 0 HA3 GLY A 69 7.573 3.066 -0.218 1.00 63.20 H new ATOM 1108 N ASN A 70 7.137 0.431 0.059 1.00 13.31 N ATOM 1109 CA ASN A 70 6.472 -0.831 0.400 1.00 13.04 C ATOM 1110 C ASN A 70 5.156 -0.595 1.163 1.00 54.33 C ATOM 1111 O ASN A 70 5.143 -0.014 2.248 1.00 1.34 O ATOM 1112 CB ASN A 70 7.420 -1.717 1.213 1.00 34.43 C ATOM 1113 CG ASN A 70 8.663 -2.065 0.418 1.00 41.30 C ATOM 1114 OD1 ASN A 70 9.646 -1.334 0.428 1.00 60.03 O ATOM 1115 ND2 ASN A 70 8.625 -3.177 -0.289 1.00 61.20 N ATOM 0 H ASN A 70 7.973 0.626 0.610 1.00 13.31 H new ATOM 0 HA ASN A 70 6.217 -1.340 -0.529 1.00 13.04 H new ATOM 0 HB2 ASN A 70 7.705 -1.203 2.131 1.00 34.43 H new ATOM 0 HB3 ASN A 70 6.905 -2.632 1.506 1.00 34.43 H new ATOM 0 HD21 ASN A 70 9.431 -3.452 -0.851 1.00 61.20 H new ATOM 0 HD22 ASN A 70 7.790 -3.762 -0.274 1.00 61.20 H new ATOM 1122 N VAL A 71 4.053 -1.057 0.581 1.00 55.44 N ATOM 1123 CA VAL A 71 2.714 -0.863 1.149 1.00 4.34 C ATOM 1124 C VAL A 71 2.107 -2.199 1.613 1.00 24.51 C ATOM 1125 O VAL A 71 2.179 -3.197 0.905 1.00 2.13 O ATOM 1126 CB VAL A 71 1.775 -0.208 0.105 1.00 71.22 C ATOM 1127 CG1 VAL A 71 0.356 -0.043 0.650 1.00 72.44 C ATOM 1128 CG2 VAL A 71 2.347 1.133 -0.351 1.00 3.45 C ATOM 0 H VAL A 71 4.058 -1.576 -0.297 1.00 55.44 H new ATOM 0 HA VAL A 71 2.814 -0.206 2.013 1.00 4.34 H new ATOM 0 HB VAL A 71 1.713 -0.872 -0.757 1.00 71.22 H new ATOM 0 HG11 VAL A 71 -0.274 0.420 -0.110 1.00 72.44 H new ATOM 0 HG12 VAL A 71 -0.049 -1.020 0.912 1.00 72.44 H new ATOM 0 HG13 VAL A 71 0.378 0.590 1.537 1.00 72.44 H new ATOM 0 HG21 VAL A 71 1.678 1.583 -1.084 1.00 3.45 H new ATOM 0 HG22 VAL A 71 2.445 1.798 0.507 1.00 3.45 H new ATOM 0 HG23 VAL A 71 3.327 0.976 -0.802 1.00 3.45 H new ATOM 1138 N ARG A 72 1.511 -2.215 2.803 1.00 5.14 N ATOM 1139 CA ARG A 72 0.895 -3.433 3.341 1.00 2.32 C ATOM 1140 C ARG A 72 -0.592 -3.510 2.965 1.00 51.24 C ATOM 1141 O ARG A 72 -1.349 -2.571 3.221 1.00 25.14 O ATOM 1142 CB ARG A 72 1.019 -3.462 4.871 1.00 33.22 C ATOM 1143 CG ARG A 72 0.680 -4.814 5.492 1.00 73.04 C ATOM 1144 CD ARG A 72 0.532 -4.729 7.009 1.00 72.24 C ATOM 1145 NE ARG A 72 1.734 -4.211 7.664 1.00 44.04 N ATOM 1146 CZ ARG A 72 1.734 -3.640 8.841 1.00 4.05 C ATOM 1147 NH1 ARG A 72 0.633 -3.503 9.507 1.00 12.44 N ATOM 1148 NH2 ARG A 72 2.839 -3.201 9.353 1.00 34.14 N ATOM 0 H ARG A 72 1.440 -1.402 3.415 1.00 5.14 H new ATOM 0 HA ARG A 72 1.419 -4.286 2.910 1.00 2.32 H new ATOM 0 HB2 ARG A 72 2.037 -3.191 5.149 1.00 33.22 H new ATOM 0 HB3 ARG A 72 0.360 -2.703 5.294 1.00 33.22 H new ATOM 0 HG2 ARG A 72 -0.247 -5.189 5.058 1.00 73.04 H new ATOM 0 HG3 ARG A 72 1.462 -5.532 5.244 1.00 73.04 H new ATOM 0 HD2 ARG A 72 -0.315 -4.087 7.252 1.00 72.24 H new ATOM 0 HD3 ARG A 72 0.306 -5.719 7.404 1.00 72.24 H new ATOM 0 HE ARG A 72 2.624 -4.300 7.174 1.00 44.04 H new ATOM 0 HH11 ARG A 72 -0.246 -3.842 9.115 1.00 12.44 H new ATOM 0 HH12 ARG A 72 0.644 -3.056 10.424 1.00 12.44 H new ATOM 0 HH21 ARG A 72 3.714 -3.300 8.838 1.00 34.14 H new ATOM 0 HH22 ARG A 72 2.834 -2.756 10.271 1.00 34.14 H new ATOM 1162 N VAL A 73 -1.010 -4.625 2.368 1.00 62.41 N ATOM 1163 CA VAL A 73 -2.427 -4.846 2.068 1.00 62.32 C ATOM 1164 C VAL A 73 -3.221 -5.046 3.368 1.00 35.41 C ATOM 1165 O VAL A 73 -3.180 -6.115 3.971 1.00 22.55 O ATOM 1166 CB VAL A 73 -2.637 -6.085 1.153 1.00 41.00 C ATOM 1167 CG1 VAL A 73 -4.099 -6.210 0.728 1.00 41.30 C ATOM 1168 CG2 VAL A 73 -1.721 -6.031 -0.069 1.00 70.22 C ATOM 0 H VAL A 73 -0.393 -5.386 2.083 1.00 62.41 H new ATOM 0 HA VAL A 73 -2.786 -3.962 1.541 1.00 62.32 H new ATOM 0 HB VAL A 73 -2.374 -6.971 1.731 1.00 41.00 H new ATOM 0 HG11 VAL A 73 -4.219 -7.085 0.089 1.00 41.30 H new ATOM 0 HG12 VAL A 73 -4.727 -6.318 1.612 1.00 41.30 H new ATOM 0 HG13 VAL A 73 -4.396 -5.316 0.179 1.00 41.30 H new ATOM 0 HG21 VAL A 73 -1.891 -6.911 -0.690 1.00 70.22 H new ATOM 0 HG22 VAL A 73 -1.937 -5.132 -0.646 1.00 70.22 H new ATOM 0 HG23 VAL A 73 -0.681 -6.012 0.256 1.00 70.22 H new ATOM 1178 N THR A 74 -3.908 -4.006 3.824 1.00 23.32 N ATOM 1179 CA THR A 74 -4.720 -4.095 5.048 1.00 71.20 C ATOM 1180 C THR A 74 -6.208 -4.235 4.729 1.00 23.02 C ATOM 1181 O THR A 74 -6.976 -4.775 5.527 1.00 45.31 O ATOM 1182 CB THR A 74 -4.515 -2.864 5.952 1.00 54.44 C ATOM 1183 OG1 THR A 74 -4.771 -1.663 5.206 1.00 60.12 O ATOM 1184 CG2 THR A 74 -3.095 -2.840 6.515 1.00 50.23 C ATOM 0 H THR A 74 -3.924 -3.092 3.372 1.00 23.32 H new ATOM 0 HA THR A 74 -4.384 -4.988 5.576 1.00 71.20 H new ATOM 0 HB THR A 74 -5.214 -2.924 6.786 1.00 54.44 H new ATOM 0 HG1 THR A 74 -4.641 -0.884 5.786 1.00 60.12 H new ATOM 0 HG21 THR A 74 -2.970 -1.963 7.151 1.00 50.23 H new ATOM 0 HG22 THR A 74 -2.921 -3.742 7.102 1.00 50.23 H new ATOM 0 HG23 THR A 74 -2.379 -2.798 5.694 1.00 50.23 H new ATOM 1192 N SER A 75 -6.613 -3.740 3.566 1.00 63.13 N ATOM 1193 CA SER A 75 -7.994 -3.889 3.097 1.00 42.40 C ATOM 1194 C SER A 75 -8.097 -5.026 2.073 1.00 12.51 C ATOM 1195 O SER A 75 -7.111 -5.704 1.779 1.00 13.52 O ATOM 1196 CB SER A 75 -8.492 -2.578 2.481 1.00 51.53 C ATOM 1197 OG SER A 75 -9.845 -2.681 2.062 1.00 53.44 O ATOM 0 H SER A 75 -6.006 -3.229 2.925 1.00 63.13 H new ATOM 0 HA SER A 75 -8.622 -4.136 3.953 1.00 42.40 H new ATOM 0 HB2 SER A 75 -8.396 -1.773 3.209 1.00 51.53 H new ATOM 0 HB3 SER A 75 -7.865 -2.314 1.629 1.00 51.53 H new ATOM 0 HG SER A 75 -10.133 -1.828 1.675 1.00 53.44 H new ATOM 1203 N ARG A 76 -9.289 -5.234 1.526 1.00 11.25 N ATOM 1204 CA ARG A 76 -9.511 -6.308 0.556 1.00 32.32 C ATOM 1205 C ARG A 76 -9.506 -5.767 -0.883 1.00 34.45 C ATOM 1206 O ARG A 76 -10.193 -4.790 -1.190 1.00 1.14 O ATOM 1207 CB ARG A 76 -10.840 -7.015 0.848 1.00 71.21 C ATOM 1208 CG ARG A 76 -10.944 -7.546 2.271 1.00 72.35 C ATOM 1209 CD ARG A 76 -12.183 -8.409 2.467 1.00 35.23 C ATOM 1210 NE ARG A 76 -12.167 -9.596 1.611 1.00 34.43 N ATOM 1211 CZ ARG A 76 -12.905 -10.652 1.809 1.00 25.11 C ATOM 1212 NH1 ARG A 76 -13.716 -10.714 2.811 1.00 73.43 N ATOM 1213 NH2 ARG A 76 -12.821 -11.653 1.000 1.00 33.54 N ATOM 0 H ARG A 76 -10.117 -4.676 1.735 1.00 11.25 H new ATOM 0 HA ARG A 76 -8.695 -7.024 0.651 1.00 32.32 H new ATOM 0 HB2 ARG A 76 -11.660 -6.320 0.667 1.00 71.21 H new ATOM 0 HB3 ARG A 76 -10.964 -7.843 0.150 1.00 71.21 H new ATOM 0 HG2 ARG A 76 -10.054 -8.130 2.506 1.00 72.35 H new ATOM 0 HG3 ARG A 76 -10.970 -6.710 2.969 1.00 72.35 H new ATOM 0 HD2 ARG A 76 -12.249 -8.716 3.511 1.00 35.23 H new ATOM 0 HD3 ARG A 76 -13.074 -7.819 2.251 1.00 35.23 H new ATOM 0 HE ARG A 76 -11.538 -9.597 0.808 1.00 34.43 H new ATOM 0 HH11 ARG A 76 -13.785 -9.930 3.460 1.00 73.43 H new ATOM 0 HH12 ARG A 76 -14.288 -11.547 2.954 1.00 73.43 H new ATOM 0 HH21 ARG A 76 -12.179 -11.617 0.209 1.00 33.54 H new ATOM 0 HH22 ARG A 76 -13.397 -12.481 1.152 1.00 33.54 H new ATOM 1227 N PRO A 77 -8.733 -6.394 -1.791 1.00 72.35 N ATOM 1228 CA PRO A 77 -8.676 -5.975 -3.197 1.00 41.55 C ATOM 1229 C PRO A 77 -10.025 -6.142 -3.907 1.00 60.35 C ATOM 1230 O PRO A 77 -10.269 -7.142 -4.588 1.00 44.04 O ATOM 1231 CB PRO A 77 -7.614 -6.896 -3.824 1.00 64.12 C ATOM 1232 CG PRO A 77 -6.879 -7.496 -2.670 1.00 45.40 C ATOM 1233 CD PRO A 77 -7.856 -7.547 -1.526 1.00 61.31 C ATOM 0 HA PRO A 77 -8.432 -4.917 -3.290 1.00 41.55 H new ATOM 0 HB2 PRO A 77 -8.077 -7.668 -4.439 1.00 64.12 H new ATOM 0 HB3 PRO A 77 -6.939 -6.335 -4.471 1.00 64.12 H new ATOM 0 HG2 PRO A 77 -6.517 -8.494 -2.917 1.00 45.40 H new ATOM 0 HG3 PRO A 77 -6.007 -6.896 -2.410 1.00 45.40 H new ATOM 0 HD2 PRO A 77 -8.413 -8.484 -1.512 1.00 61.31 H new ATOM 0 HD3 PRO A 77 -7.354 -7.460 -0.562 1.00 61.31 H new ATOM 1241 N GLY A 78 -10.904 -5.158 -3.742 1.00 24.34 N ATOM 1242 CA GLY A 78 -12.235 -5.239 -4.326 1.00 30.34 C ATOM 1243 C GLY A 78 -13.254 -4.322 -3.652 1.00 74.24 C ATOM 1244 O GLY A 78 -14.372 -4.167 -4.143 1.00 3.05 O ATOM 0 H GLY A 78 -10.720 -4.305 -3.214 1.00 24.34 H new ATOM 0 HA2 GLY A 78 -12.175 -4.986 -5.384 1.00 30.34 H new ATOM 0 HA3 GLY A 78 -12.588 -6.268 -4.264 1.00 30.34 H new ATOM 1248 N GLN A 79 -12.875 -3.721 -2.523 1.00 34.21 N ATOM 1249 CA GLN A 79 -13.756 -2.788 -1.805 1.00 1.14 C ATOM 1250 C GLN A 79 -14.144 -1.600 -2.702 1.00 34.44 C ATOM 1251 O GLN A 79 -13.331 -0.707 -2.943 1.00 12.12 O ATOM 1252 CB GLN A 79 -13.056 -2.274 -0.537 1.00 60.13 C ATOM 1253 CG GLN A 79 -12.524 -3.378 0.373 1.00 71.23 C ATOM 1254 CD GLN A 79 -13.614 -4.264 0.949 1.00 70.32 C ATOM 1255 OE1 GLN A 79 -14.001 -5.264 0.354 1.00 11.03 O ATOM 1256 NE2 GLN A 79 -14.106 -3.914 2.117 1.00 72.44 N ATOM 0 H GLN A 79 -11.965 -3.861 -2.083 1.00 34.21 H new ATOM 0 HA GLN A 79 -14.664 -3.322 -1.526 1.00 1.14 H new ATOM 0 HB2 GLN A 79 -12.228 -1.628 -0.829 1.00 60.13 H new ATOM 0 HB3 GLN A 79 -13.757 -1.659 0.028 1.00 60.13 H new ATOM 0 HG2 GLN A 79 -11.824 -3.996 -0.189 1.00 71.23 H new ATOM 0 HG3 GLN A 79 -11.964 -2.925 1.191 1.00 71.23 H new ATOM 0 HE21 GLN A 79 -13.761 -3.076 2.585 1.00 72.44 H new ATOM 0 HE22 GLN A 79 -14.832 -4.481 2.555 1.00 72.44 H new ATOM 1265 N ASP A 80 -15.378 -1.617 -3.217 1.00 14.14 N ATOM 1266 CA ASP A 80 -15.861 -0.571 -4.135 1.00 23.14 C ATOM 1267 C ASP A 80 -15.013 -0.545 -5.428 1.00 65.31 C ATOM 1268 O ASP A 80 -14.955 0.457 -6.146 1.00 32.01 O ATOM 1269 CB ASP A 80 -15.850 0.793 -3.419 1.00 13.02 C ATOM 1270 CG ASP A 80 -16.508 1.900 -4.226 1.00 73.20 C ATOM 1271 OD1 ASP A 80 -17.679 1.734 -4.629 1.00 11.41 O ATOM 1272 OD2 ASP A 80 -15.867 2.951 -4.446 1.00 71.51 O ATOM 0 H ASP A 80 -16.064 -2.344 -3.015 1.00 14.14 H new ATOM 0 HA ASP A 80 -16.887 -0.794 -4.428 1.00 23.14 H new ATOM 0 HB2 ASP A 80 -16.362 0.697 -2.461 1.00 13.02 H new ATOM 0 HB3 ASP A 80 -14.819 1.074 -3.203 1.00 13.02 H new ATOM 1277 N GLY A 81 -14.372 -1.677 -5.724 1.00 22.41 N ATOM 1278 CA GLY A 81 -13.526 -1.792 -6.907 1.00 55.40 C ATOM 1279 C GLY A 81 -12.061 -1.445 -6.644 1.00 11.02 C ATOM 1280 O GLY A 81 -11.165 -1.935 -7.340 1.00 40.23 O ATOM 0 H GLY A 81 -14.424 -2.525 -5.160 1.00 22.41 H new ATOM 0 HA2 GLY A 81 -13.587 -2.811 -7.290 1.00 55.40 H new ATOM 0 HA3 GLY A 81 -13.913 -1.135 -7.686 1.00 55.40 H new ATOM 1284 N VAL A 82 -11.813 -0.620 -5.626 1.00 32.23 N ATOM 1285 CA VAL A 82 -10.463 -0.112 -5.344 1.00 71.44 C ATOM 1286 C VAL A 82 -9.745 -0.952 -4.262 1.00 63.43 C ATOM 1287 O VAL A 82 -10.364 -1.769 -3.574 1.00 74.54 O ATOM 1288 CB VAL A 82 -10.523 1.380 -4.908 1.00 42.30 C ATOM 1289 CG1 VAL A 82 -11.162 1.529 -3.527 1.00 14.44 C ATOM 1290 CG2 VAL A 82 -9.137 2.034 -4.952 1.00 52.33 C ATOM 0 H VAL A 82 -12.529 -0.287 -4.980 1.00 32.23 H new ATOM 0 HA VAL A 82 -9.887 -0.194 -6.266 1.00 71.44 H new ATOM 0 HB VAL A 82 -11.155 1.904 -5.624 1.00 42.30 H new ATOM 0 HG11 VAL A 82 -11.189 2.583 -3.251 1.00 14.44 H new ATOM 0 HG12 VAL A 82 -12.178 1.134 -3.551 1.00 14.44 H new ATOM 0 HG13 VAL A 82 -10.575 0.977 -2.793 1.00 14.44 H new ATOM 0 HG21 VAL A 82 -9.216 3.076 -4.641 1.00 52.33 H new ATOM 0 HG22 VAL A 82 -8.463 1.505 -4.278 1.00 52.33 H new ATOM 0 HG23 VAL A 82 -8.745 1.987 -5.968 1.00 52.33 H new ATOM 1300 N ILE A 83 -8.428 -0.768 -4.144 1.00 52.10 N ATOM 1301 CA ILE A 83 -7.622 -1.459 -3.127 1.00 60.55 C ATOM 1302 C ILE A 83 -7.003 -0.449 -2.144 1.00 35.10 C ATOM 1303 O ILE A 83 -6.498 0.593 -2.558 1.00 43.32 O ATOM 1304 CB ILE A 83 -6.479 -2.279 -3.785 1.00 74.52 C ATOM 1305 CG1 ILE A 83 -7.024 -3.139 -4.939 1.00 30.23 C ATOM 1306 CG2 ILE A 83 -5.773 -3.157 -2.748 1.00 44.14 C ATOM 1307 CD1 ILE A 83 -5.958 -3.935 -5.670 1.00 54.04 C ATOM 0 H ILE A 83 -7.891 -0.142 -4.744 1.00 52.10 H new ATOM 0 HA ILE A 83 -8.288 -2.134 -2.589 1.00 60.55 H new ATOM 0 HB ILE A 83 -5.750 -1.579 -4.192 1.00 74.52 H new ATOM 0 HG12 ILE A 83 -7.771 -3.828 -4.544 1.00 30.23 H new ATOM 0 HG13 ILE A 83 -7.533 -2.491 -5.653 1.00 30.23 H new ATOM 0 HG21 ILE A 83 -4.976 -3.722 -3.232 1.00 44.14 H new ATOM 0 HG22 ILE A 83 -5.348 -2.527 -1.967 1.00 44.14 H new ATOM 0 HG23 ILE A 83 -6.491 -3.848 -2.307 1.00 44.14 H new ATOM 0 HD11 ILE A 83 -6.421 -4.515 -6.469 1.00 54.04 H new ATOM 0 HD12 ILE A 83 -5.223 -3.253 -6.096 1.00 54.04 H new ATOM 0 HD13 ILE A 83 -5.464 -4.610 -4.971 1.00 54.04 H new ATOM 1319 N ASN A 84 -7.046 -0.758 -0.849 1.00 30.23 N ATOM 1320 CA ASN A 84 -6.458 0.121 0.178 1.00 32.32 C ATOM 1321 C ASN A 84 -5.286 -0.561 0.910 1.00 43.34 C ATOM 1322 O ASN A 84 -5.329 -1.759 1.204 1.00 64.44 O ATOM 1323 CB ASN A 84 -7.525 0.548 1.197 1.00 21.13 C ATOM 1324 CG ASN A 84 -8.565 1.493 0.620 1.00 32.33 C ATOM 1325 OD1 ASN A 84 -8.868 1.466 -0.566 1.00 11.12 O ATOM 1326 ND2 ASN A 84 -9.133 2.331 1.463 1.00 10.40 N ATOM 0 H ASN A 84 -7.478 -1.605 -0.480 1.00 30.23 H new ATOM 0 HA ASN A 84 -6.072 1.003 -0.334 1.00 32.32 H new ATOM 0 HB2 ASN A 84 -8.026 -0.340 1.582 1.00 21.13 H new ATOM 0 HB3 ASN A 84 -7.036 1.030 2.044 1.00 21.13 H new ATOM 0 HD21 ASN A 84 -9.846 2.981 1.133 1.00 10.40 H new ATOM 0 HD22 ASN A 84 -8.859 2.330 2.446 1.00 10.40 H new ATOM 1333 N GLY A 85 -4.251 0.220 1.214 1.00 24.25 N ATOM 1334 CA GLY A 85 -3.079 -0.301 1.913 1.00 10.01 C ATOM 1335 C GLY A 85 -2.367 0.757 2.753 1.00 24.43 C ATOM 1336 O GLY A 85 -2.718 1.936 2.706 1.00 43.45 O ATOM 0 H GLY A 85 -4.200 1.213 0.988 1.00 24.25 H new ATOM 0 HA2 GLY A 85 -3.384 -1.125 2.558 1.00 10.01 H new ATOM 0 HA3 GLY A 85 -2.379 -0.709 1.184 1.00 10.01 H new ATOM 1340 N VAL A 86 -1.356 0.344 3.520 1.00 12.14 N ATOM 1341 CA VAL A 86 -0.631 1.263 4.414 1.00 75.41 C ATOM 1342 C VAL A 86 0.867 1.331 4.071 1.00 75.11 C ATOM 1343 O VAL A 86 1.516 0.303 3.907 1.00 4.24 O ATOM 1344 CB VAL A 86 -0.779 0.827 5.894 1.00 54.32 C ATOM 1345 CG1 VAL A 86 -0.331 1.938 6.840 1.00 3.45 C ATOM 1346 CG2 VAL A 86 -2.212 0.403 6.189 1.00 33.42 C ATOM 0 H VAL A 86 -1.018 -0.618 3.544 1.00 12.14 H new ATOM 0 HA VAL A 86 -1.073 2.249 4.271 1.00 75.41 H new ATOM 0 HB VAL A 86 -0.130 -0.033 6.060 1.00 54.32 H new ATOM 0 HG11 VAL A 86 -0.445 1.605 7.872 1.00 3.45 H new ATOM 0 HG12 VAL A 86 0.715 2.178 6.650 1.00 3.45 H new ATOM 0 HG13 VAL A 86 -0.942 2.825 6.675 1.00 3.45 H new ATOM 0 HG21 VAL A 86 -2.294 0.101 7.233 1.00 33.42 H new ATOM 0 HG22 VAL A 86 -2.885 1.239 5.999 1.00 33.42 H new ATOM 0 HG23 VAL A 86 -2.483 -0.435 5.546 1.00 33.42 H new ATOM 1356 N LEU A 87 1.415 2.541 3.975 1.00 71.41 N ATOM 1357 CA LEU A 87 2.846 2.722 3.690 1.00 53.41 C ATOM 1358 C LEU A 87 3.707 2.325 4.906 1.00 55.44 C ATOM 1359 O LEU A 87 3.780 3.055 5.893 1.00 42.43 O ATOM 1360 CB LEU A 87 3.123 4.183 3.306 1.00 12.54 C ATOM 1361 CG LEU A 87 4.576 4.502 2.908 1.00 51.32 C ATOM 1362 CD1 LEU A 87 4.984 3.730 1.651 1.00 73.32 C ATOM 1363 CD2 LEU A 87 4.760 6.006 2.709 1.00 54.33 C ATOM 0 H LEU A 87 0.895 3.411 4.089 1.00 71.41 H new ATOM 0 HA LEU A 87 3.113 2.072 2.856 1.00 53.41 H new ATOM 0 HB2 LEU A 87 2.470 4.452 2.475 1.00 12.54 H new ATOM 0 HB3 LEU A 87 2.847 4.820 4.147 1.00 12.54 H new ATOM 0 HG LEU A 87 5.229 4.182 3.721 1.00 51.32 H new ATOM 0 HD11 LEU A 87 6.014 3.974 1.393 1.00 73.32 H new ATOM 0 HD12 LEU A 87 4.901 2.659 1.838 1.00 73.32 H new ATOM 0 HD13 LEU A 87 4.328 4.006 0.826 1.00 73.32 H new ATOM 0 HD21 LEU A 87 5.793 6.212 2.428 1.00 54.33 H new ATOM 0 HD22 LEU A 87 4.093 6.353 1.920 1.00 54.33 H new ATOM 0 HD23 LEU A 87 4.525 6.527 3.637 1.00 54.33 H new ATOM 1375 N ILE A 88 4.369 1.173 4.828 1.00 11.40 N ATOM 1376 CA ILE A 88 5.123 0.647 5.974 1.00 12.42 C ATOM 1377 C ILE A 88 6.634 0.825 5.803 1.00 71.21 C ATOM 1378 O ILE A 88 7.118 1.226 4.744 1.00 42.42 O ATOM 1379 CB ILE A 88 4.812 -0.848 6.213 1.00 60.51 C ATOM 1380 CG1 ILE A 88 5.335 -1.692 5.041 1.00 53.10 C ATOM 1381 CG2 ILE A 88 3.311 -1.046 6.423 1.00 4.24 C ATOM 1382 CD1 ILE A 88 4.925 -3.149 5.088 1.00 45.45 C ATOM 0 H ILE A 88 4.402 0.587 3.994 1.00 11.40 H new ATOM 0 HA ILE A 88 4.803 1.226 6.840 1.00 12.42 H new ATOM 0 HB ILE A 88 5.322 -1.182 7.117 1.00 60.51 H new ATOM 0 HG12 ILE A 88 4.978 -1.257 4.108 1.00 53.10 H new ATOM 0 HG13 ILE A 88 6.423 -1.634 5.024 1.00 53.10 H new ATOM 0 HG21 ILE A 88 3.103 -2.103 6.590 1.00 4.24 H new ATOM 0 HG22 ILE A 88 2.986 -0.471 7.290 1.00 4.24 H new ATOM 0 HG23 ILE A 88 2.772 -0.706 5.539 1.00 4.24 H new ATOM 0 HD11 ILE A 88 5.337 -3.671 4.224 1.00 45.45 H new ATOM 0 HD12 ILE A 88 5.305 -3.605 6.002 1.00 45.45 H new ATOM 0 HD13 ILE A 88 3.838 -3.222 5.071 1.00 45.45 H new ATOM 1394 N ARG A 89 7.376 0.524 6.865 1.00 33.15 N ATOM 1395 CA ARG A 89 8.835 0.728 6.891 1.00 54.21 C ATOM 1396 C ARG A 89 9.570 -0.412 7.627 1.00 65.41 C ATOM 1397 O ARG A 89 10.740 -0.269 7.982 1.00 34.44 O ATOM 1398 CB ARG A 89 9.192 2.074 7.565 1.00 41.13 C ATOM 1399 CG ARG A 89 8.953 3.327 6.708 1.00 60.25 C ATOM 1400 CD ARG A 89 7.513 3.842 6.775 1.00 14.44 C ATOM 1401 NE ARG A 89 7.345 5.071 5.996 1.00 12.55 N ATOM 1402 CZ ARG A 89 6.320 5.882 6.090 1.00 62.45 C ATOM 1403 NH1 ARG A 89 5.331 5.624 6.883 1.00 22.10 N ATOM 1404 NH2 ARG A 89 6.289 6.951 5.371 1.00 72.00 N ATOM 0 H ARG A 89 6.995 0.135 7.728 1.00 33.15 H new ATOM 0 HA ARG A 89 9.164 0.736 5.852 1.00 54.21 H new ATOM 0 HB2 ARG A 89 8.611 2.166 8.482 1.00 41.13 H new ATOM 0 HB3 ARG A 89 10.243 2.048 7.854 1.00 41.13 H new ATOM 0 HG2 ARG A 89 9.629 4.117 7.035 1.00 60.25 H new ATOM 0 HG3 ARG A 89 9.203 3.102 5.671 1.00 60.25 H new ATOM 0 HD2 ARG A 89 6.834 3.076 6.400 1.00 14.44 H new ATOM 0 HD3 ARG A 89 7.240 4.028 7.814 1.00 14.44 H new ATOM 0 HE ARG A 89 8.080 5.313 5.331 1.00 12.55 H new ATOM 0 HH11 ARG A 89 5.340 4.776 7.450 1.00 22.10 H new ATOM 0 HH12 ARG A 89 4.543 6.269 6.941 1.00 22.10 H new ATOM 0 HH21 ARG A 89 7.058 7.160 4.735 1.00 72.00 H new ATOM 0 HH22 ARG A 89 5.495 7.588 5.438 1.00 72.00 H new ATOM 1418 N GLU A 90 8.901 -1.549 7.836 1.00 72.43 N ATOM 1419 CA GLU A 90 9.495 -2.667 8.600 1.00 24.32 C ATOM 1420 C GLU A 90 10.588 -3.416 7.813 1.00 74.41 C ATOM 1421 O GLU A 90 11.373 -4.162 8.402 1.00 14.43 O ATOM 1422 CB GLU A 90 8.416 -3.674 9.040 1.00 64.14 C ATOM 1423 CG GLU A 90 7.361 -3.106 9.991 1.00 73.32 C ATOM 1424 CD GLU A 90 6.352 -2.214 9.291 1.00 13.30 C ATOM 1425 OE1 GLU A 90 5.394 -2.749 8.704 1.00 44.32 O ATOM 1426 OE2 GLU A 90 6.510 -0.973 9.324 1.00 65.42 O ATOM 0 H GLU A 90 7.957 -1.726 7.494 1.00 72.43 H new ATOM 0 HA GLU A 90 9.959 -2.214 9.476 1.00 24.32 H new ATOM 0 HB2 GLU A 90 7.915 -4.060 8.152 1.00 64.14 H new ATOM 0 HB3 GLU A 90 8.904 -4.520 9.524 1.00 64.14 H new ATOM 0 HG2 GLU A 90 6.836 -3.929 10.476 1.00 73.32 H new ATOM 0 HG3 GLU A 90 7.857 -2.537 10.777 1.00 73.32 H new ATOM 1433 N LEU A 91 10.641 -3.208 6.498 1.00 53.43 N ATOM 1434 CA LEU A 91 11.581 -3.934 5.624 1.00 31.11 C ATOM 1435 C LEU A 91 13.059 -3.670 5.977 1.00 54.11 C ATOM 1436 O LEU A 91 13.369 -2.972 6.941 1.00 45.10 O ATOM 1437 CB LEU A 91 11.345 -3.565 4.149 1.00 61.35 C ATOM 1438 CG LEU A 91 11.723 -2.123 3.750 1.00 4.22 C ATOM 1439 CD1 LEU A 91 11.998 -2.032 2.251 1.00 52.44 C ATOM 1440 CD2 LEU A 91 10.630 -1.127 4.151 1.00 1.11 C ATOM 0 H LEU A 91 10.045 -2.542 6.007 1.00 53.43 H new ATOM 0 HA LEU A 91 11.384 -4.994 5.785 1.00 31.11 H new ATOM 0 HB2 LEU A 91 11.913 -4.255 3.526 1.00 61.35 H new ATOM 0 HB3 LEU A 91 10.291 -3.721 3.919 1.00 61.35 H new ATOM 0 HG LEU A 91 12.633 -1.860 4.290 1.00 4.22 H new ATOM 0 HD11 LEU A 91 12.263 -1.007 1.991 1.00 52.44 H new ATOM 0 HD12 LEU A 91 12.822 -2.696 1.991 1.00 52.44 H new ATOM 0 HD13 LEU A 91 11.106 -2.327 1.699 1.00 52.44 H new ATOM 0 HD21 LEU A 91 10.928 -0.121 3.855 1.00 1.11 H new ATOM 0 HD22 LEU A 91 9.697 -1.390 3.652 1.00 1.11 H new ATOM 0 HD23 LEU A 91 10.486 -1.160 5.231 1.00 1.11 H new ATOM 1452 N GLU A 92 13.962 -4.236 5.168 1.00 11.31 N ATOM 1453 CA GLU A 92 15.417 -4.095 5.352 1.00 5.13 C ATOM 1454 C GLU A 92 15.835 -2.637 5.630 1.00 72.11 C ATOM 1455 O GLU A 92 15.815 -1.787 4.736 1.00 74.31 O ATOM 1456 CB GLU A 92 16.126 -4.629 4.098 1.00 54.25 C ATOM 1457 CG GLU A 92 17.649 -4.625 4.172 1.00 13.21 C ATOM 1458 CD GLU A 92 18.291 -5.284 2.957 1.00 33.12 C ATOM 1459 OE1 GLU A 92 18.445 -6.525 2.964 1.00 45.41 O ATOM 1460 OE2 GLU A 92 18.631 -4.572 1.988 1.00 42.40 O ATOM 0 H GLU A 92 13.706 -4.808 4.363 1.00 11.31 H new ATOM 0 HA GLU A 92 15.711 -4.673 6.228 1.00 5.13 H new ATOM 0 HB2 GLU A 92 15.788 -5.649 3.914 1.00 54.25 H new ATOM 0 HB3 GLU A 92 15.817 -4.031 3.241 1.00 54.25 H new ATOM 0 HG2 GLU A 92 18.003 -3.598 4.254 1.00 13.21 H new ATOM 0 HG3 GLU A 92 17.968 -5.146 5.075 1.00 13.21 H new ATOM 1467 N HIS A 93 16.226 -2.362 6.875 1.00 4.21 N ATOM 1468 CA HIS A 93 16.560 -1.000 7.310 1.00 73.12 C ATOM 1469 C HIS A 93 18.019 -0.649 6.982 1.00 71.14 C ATOM 1470 O HIS A 93 18.943 -1.387 7.335 1.00 52.41 O ATOM 1471 CB HIS A 93 16.323 -0.846 8.821 1.00 4.53 C ATOM 1472 CG HIS A 93 14.972 -1.310 9.273 1.00 34.23 C ATOM 1473 ND1 HIS A 93 13.920 -0.456 9.511 1.00 64.43 N ATOM 1474 CD2 HIS A 93 14.502 -2.555 9.524 1.00 5.13 C ATOM 1475 CE1 HIS A 93 12.869 -1.154 9.889 1.00 4.01 C ATOM 1476 NE2 HIS A 93 13.189 -2.430 9.903 1.00 35.34 N ATOM 0 H HIS A 93 16.320 -3.067 7.606 1.00 4.21 H new ATOM 0 HA HIS A 93 15.909 -0.314 6.768 1.00 73.12 H new ATOM 0 HB2 HIS A 93 17.088 -1.407 9.358 1.00 4.53 H new ATOM 0 HB3 HIS A 93 16.446 0.202 9.093 1.00 4.53 H new ATOM 0 HD2 HIS A 93 15.058 -3.477 9.441 1.00 5.13 H new ATOM 0 HE1 HIS A 93 11.903 -0.746 10.145 1.00 4.01 H new ATOM 0 HE2 HIS A 93 12.566 -3.198 10.154 1.00 35.34 H new ATOM 1485 N HIS A 94 18.226 0.483 6.315 1.00 61.20 N ATOM 1486 CA HIS A 94 19.577 0.942 5.979 1.00 74.51 C ATOM 1487 C HIS A 94 20.151 1.832 7.100 1.00 75.21 C ATOM 1488 O HIS A 94 20.127 3.058 7.005 1.00 60.31 O ATOM 1489 CB HIS A 94 19.563 1.690 4.635 1.00 32.34 C ATOM 1490 CG HIS A 94 20.913 2.159 4.180 1.00 12.15 C ATOM 1491 ND1 HIS A 94 21.858 1.315 3.636 1.00 4.24 N ATOM 1492 CD2 HIS A 94 21.479 3.392 4.195 1.00 44.42 C ATOM 1493 CE1 HIS A 94 22.944 2.004 3.341 1.00 61.12 C ATOM 1494 NE2 HIS A 94 22.740 3.262 3.668 1.00 61.42 N ATOM 0 H HIS A 94 17.480 1.100 5.996 1.00 61.20 H new ATOM 0 HA HIS A 94 20.225 0.071 5.883 1.00 74.51 H new ATOM 0 HB2 HIS A 94 19.142 1.036 3.872 1.00 32.34 H new ATOM 0 HB3 HIS A 94 18.900 2.551 4.718 1.00 32.34 H new ATOM 0 HD2 HIS A 94 21.024 4.303 4.554 1.00 44.42 H new ATOM 0 HE1 HIS A 94 23.847 1.603 2.905 1.00 61.12 H new ATOM 0 HE2 HIS A 94 23.412 4.020 3.549 1.00 61.42 H new ATOM 1503 N HIS A 95 20.617 1.196 8.182 1.00 24.23 N ATOM 1504 CA HIS A 95 21.228 1.891 9.340 1.00 64.11 C ATOM 1505 C HIS A 95 20.211 2.730 10.150 1.00 21.54 C ATOM 1506 O HIS A 95 20.428 3.004 11.332 1.00 10.52 O ATOM 1507 CB HIS A 95 22.392 2.789 8.886 1.00 22.54 C ATOM 1508 CG HIS A 95 23.185 3.382 10.019 1.00 13.43 C ATOM 1509 ND1 HIS A 95 22.729 4.424 10.803 1.00 64.30 N ATOM 1510 CD2 HIS A 95 24.409 3.068 10.504 1.00 61.21 C ATOM 1511 CE1 HIS A 95 23.638 4.724 11.709 1.00 63.14 C ATOM 1512 NE2 HIS A 95 24.666 3.920 11.549 1.00 32.33 N ATOM 0 H HIS A 95 20.584 0.182 8.287 1.00 24.23 H new ATOM 0 HA HIS A 95 21.601 1.107 9.999 1.00 64.11 H new ATOM 0 HB2 HIS A 95 23.062 2.206 8.253 1.00 22.54 H new ATOM 0 HB3 HIS A 95 21.996 3.597 8.271 1.00 22.54 H new ATOM 0 HD2 HIS A 95 25.063 2.291 10.137 1.00 61.21 H new ATOM 0 HE1 HIS A 95 23.553 5.499 12.456 1.00 63.14 H new ATOM 0 HE2 HIS A 95 25.517 3.928 12.111 1.00 32.33 H new ATOM 1521 N HIS A 96 19.114 3.138 9.516 1.00 32.51 N ATOM 1522 CA HIS A 96 18.125 4.025 10.138 1.00 14.20 C ATOM 1523 C HIS A 96 17.468 3.392 11.376 1.00 61.22 C ATOM 1524 O HIS A 96 16.661 2.471 11.260 1.00 22.43 O ATOM 1525 CB HIS A 96 17.052 4.403 9.108 1.00 64.12 C ATOM 1526 CG HIS A 96 15.928 5.220 9.672 1.00 11.42 C ATOM 1527 ND1 HIS A 96 14.745 4.664 10.102 1.00 22.42 N ATOM 1528 CD2 HIS A 96 15.807 6.552 9.876 1.00 73.13 C ATOM 1529 CE1 HIS A 96 13.948 5.612 10.544 1.00 23.02 C ATOM 1530 NE2 HIS A 96 14.565 6.769 10.423 1.00 63.44 N ATOM 0 H HIS A 96 18.883 2.866 8.560 1.00 32.51 H new ATOM 0 HA HIS A 96 18.650 4.919 10.475 1.00 14.20 H new ATOM 0 HB2 HIS A 96 17.521 4.960 8.297 1.00 64.12 H new ATOM 0 HB3 HIS A 96 16.643 3.491 8.673 1.00 64.12 H new ATOM 0 HD2 HIS A 96 16.548 7.305 9.651 1.00 73.13 H new ATOM 0 HE1 HIS A 96 12.954 5.466 10.940 1.00 23.02 H new ATOM 0 HE2 HIS A 96 14.184 7.676 10.691 1.00 63.44 H new ATOM 1539 N HIS A 97 17.829 3.887 12.558 1.00 54.33 N ATOM 1540 CA HIS A 97 17.178 3.467 13.807 1.00 74.14 C ATOM 1541 C HIS A 97 16.172 4.529 14.278 1.00 10.23 C ATOM 1542 O HIS A 97 15.057 4.206 14.693 1.00 72.42 O ATOM 1543 CB HIS A 97 18.224 3.200 14.900 1.00 51.02 C ATOM 1544 CG HIS A 97 19.128 2.041 14.597 1.00 14.10 C ATOM 1545 ND1 HIS A 97 20.286 2.161 13.864 1.00 0.45 N ATOM 1546 CD2 HIS A 97 19.047 0.732 14.945 1.00 63.42 C ATOM 1547 CE1 HIS A 97 20.876 0.988 13.774 1.00 73.44 C ATOM 1548 NE2 HIS A 97 20.149 0.103 14.422 1.00 24.14 N ATOM 0 H HIS A 97 18.568 4.579 12.682 1.00 54.33 H new ATOM 0 HA HIS A 97 16.637 2.541 13.613 1.00 74.14 H new ATOM 0 HB2 HIS A 97 18.830 4.096 15.038 1.00 51.02 H new ATOM 0 HB3 HIS A 97 17.711 3.013 15.844 1.00 51.02 H new ATOM 0 HD1 HIS A 97 20.634 3.027 13.453 1.00 0.45 H new ATOM 0 HD2 HIS A 97 18.262 0.271 15.525 1.00 63.42 H new ATOM 0 HE1 HIS A 97 21.801 0.786 13.255 1.00 73.44 H new ATOM 1557 N HIS A 98 16.572 5.797 14.204 1.00 54.41 N ATOM 1558 CA HIS A 98 15.700 6.924 14.579 1.00 34.01 C ATOM 1559 C HIS A 98 15.672 7.996 13.467 1.00 5.33 C ATOM 1560 O HIS A 98 16.679 8.725 13.316 1.00 39.11 O ATOM 1561 CB HIS A 98 16.172 7.542 15.908 1.00 2.44 C ATOM 1562 CG HIS A 98 15.341 8.708 16.369 1.00 3.01 C ATOM 1563 ND1 HIS A 98 14.307 8.584 17.266 1.00 11.03 N ATOM 1564 CD2 HIS A 98 15.387 10.021 16.040 1.00 14.51 C ATOM 1565 CE1 HIS A 98 13.753 9.764 17.463 1.00 40.14 C ATOM 1566 NE2 HIS A 98 14.387 10.656 16.731 1.00 5.51 N ATOM 1567 OXT HIS A 98 14.645 8.110 12.761 1.00 39.11 O ATOM 0 H HIS A 98 17.500 6.078 13.886 1.00 54.41 H new ATOM 0 HA HIS A 98 14.687 6.544 14.707 1.00 34.01 H new ATOM 0 HB2 HIS A 98 16.159 6.772 16.680 1.00 2.44 H new ATOM 0 HB3 HIS A 98 17.207 7.867 15.799 1.00 2.44 H new ATOM 0 HD2 HIS A 98 16.084 10.484 15.358 1.00 14.51 H new ATOM 0 HE1 HIS A 98 12.917 9.966 18.117 1.00 40.14 H new ATOM 0 HE2 HIS A 98 14.171 11.652 16.686 1.00 5.51 H new TER 1576 HIS A 98