USER MOD reduce.3.24.130724 H: found=0, std=0, add=662, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 661 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -155:sc= -0.101 (180deg=-0.654) USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 157:sc= -0.0663 (180deg=-0.379) USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=-0.018) USER MOD Single : A 13 THR OG1 : rot 172:sc= -1.05 USER MOD Single : A 16 GLN : amide:sc= -2.24 K(o=-2.2,f=-6.1!) USER MOD Single : A 17 LYS NZ :NH3+ 154:sc= -0.12 (180deg=-0.69) USER MOD Single : A 18 ASN : amide:sc= -0.164 K(o=-0.16,f=-0.83) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 CYS SG : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= -0.257 USER MOD Single : A 38 THR OG1 : rot -140:sc= -1.52 USER MOD Single : A 39 LYS NZ :NH3+ -124:sc= -0.155 (180deg=-0.625) USER MOD Single : A 43 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0393) USER MOD Single : A 45 MET CE :methyl 177:sc= -1.48 (180deg=-1.71) USER MOD Single : A 47 MET CE :methyl -168:sc= 0 (180deg=-0.141) USER MOD Single : A 50 GLN : amide:sc=-0.000317 X(o=-0.00032,f=0) USER MOD Single : A 51 ASN :FLIP amide:sc= 0.911 F(o=-0.39,f=0.91) USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.647 USER MOD Single : A 58 GLN : amide:sc= -0.355 X(o=-0.36,f=-0.11) USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 MET CE :methyl 175:sc= -2.16! (180deg=-2.25) USER MOD Single : A 81 MET CE :methyl 137:sc= -0.586 (180deg=-1.45) USER MOD Single : A 84 CYS SG : rot -31:sc= 0.0456 USER MOD Single : A 85 MET CE :methyl 150:sc= -3.27! (180deg=-5.25!) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.725 -1.359 0.792 1.00 40.34 N ATOM 2 CA MET A 1 1.588 -1.006 -0.330 1.00 73.32 C ATOM 3 C MET A 1 2.552 -2.144 -0.653 1.00 55.31 C ATOM 4 O MET A 1 3.464 -2.435 0.121 1.00 72.14 O ATOM 5 CB MET A 1 2.372 0.269 -0.017 1.00 2.21 C ATOM 6 CG MET A 1 1.488 1.482 0.227 1.00 65.23 C ATOM 7 SD MET A 1 2.386 2.857 0.970 1.00 2.34 S ATOM 8 CE MET A 1 2.217 2.470 2.711 1.00 40.50 C ATOM 0 H1 MET A 1 -0.158 -0.812 0.736 1.00 40.34 H new ATOM 0 H2 MET A 1 0.506 -2.375 0.755 1.00 40.34 H new ATOM 0 H3 MET A 1 1.211 -1.142 1.685 1.00 40.34 H new ATOM 0 HA MET A 1 0.956 -0.830 -1.201 1.00 73.32 H new ATOM 0 HB2 MET A 1 2.991 0.098 0.864 1.00 2.21 H new ATOM 0 HB3 MET A 1 3.048 0.483 -0.845 1.00 2.21 H new ATOM 0 HG2 MET A 1 1.053 1.806 -0.718 1.00 65.23 H new ATOM 0 HG3 MET A 1 0.661 1.199 0.878 1.00 65.23 H new ATOM 0 HE1 MET A 1 2.723 3.232 3.304 1.00 40.50 H new ATOM 0 HE2 MET A 1 1.160 2.445 2.977 1.00 40.50 H new ATOM 0 HE3 MET A 1 2.665 1.497 2.913 1.00 40.50 H new ATOM 18 N ASP A 2 2.343 -2.782 -1.799 1.00 30.51 N ATOM 19 CA ASP A 2 3.194 -3.888 -2.224 1.00 41.31 C ATOM 20 C ASP A 2 4.431 -3.372 -2.954 1.00 14.14 C ATOM 21 O ASP A 2 4.381 -3.079 -4.148 1.00 44.23 O ATOM 22 CB ASP A 2 2.413 -4.842 -3.129 1.00 43.35 C ATOM 23 CG ASP A 2 1.228 -5.470 -2.423 1.00 51.24 C ATOM 24 OD1 ASP A 2 1.328 -5.719 -1.204 1.00 51.20 O ATOM 25 OD2 ASP A 2 0.200 -5.713 -3.091 1.00 23.15 O ATOM 0 H ASP A 2 1.592 -2.553 -2.450 1.00 30.51 H new ATOM 0 HA ASP A 2 3.518 -4.428 -1.334 1.00 41.31 H new ATOM 0 HB2 ASP A 2 2.063 -4.300 -4.008 1.00 43.35 H new ATOM 0 HB3 ASP A 2 3.079 -5.628 -3.484 1.00 43.35 H new ATOM 30 N ASP A 3 5.537 -3.263 -2.227 1.00 2.31 N ATOM 31 CA ASP A 3 6.787 -2.782 -2.805 1.00 30.13 C ATOM 32 C ASP A 3 7.394 -3.829 -3.734 1.00 11.40 C ATOM 33 O ASP A 3 8.151 -3.498 -4.647 1.00 1.41 O ATOM 34 CB ASP A 3 7.781 -2.426 -1.698 1.00 64.34 C ATOM 35 CG ASP A 3 7.365 -1.193 -0.920 1.00 63.44 C ATOM 36 OD1 ASP A 3 6.875 -0.233 -1.550 1.00 3.33 O ATOM 37 OD2 ASP A 3 7.530 -1.189 0.318 1.00 44.14 O ATOM 0 H ASP A 3 5.594 -3.501 -1.237 1.00 2.31 H new ATOM 0 HA ASP A 3 6.569 -1.887 -3.389 1.00 30.13 H new ATOM 0 HB2 ASP A 3 7.875 -3.269 -1.014 1.00 64.34 H new ATOM 0 HB3 ASP A 3 8.765 -2.260 -2.137 1.00 64.34 H new ATOM 42 N ILE A 4 7.057 -5.091 -3.494 1.00 62.55 N ATOM 43 CA ILE A 4 7.569 -6.186 -4.310 1.00 1.20 C ATOM 44 C ILE A 4 7.015 -6.119 -5.729 1.00 64.42 C ATOM 45 O ILE A 4 7.697 -6.478 -6.690 1.00 34.40 O ATOM 46 CB ILE A 4 7.219 -7.555 -3.698 1.00 64.21 C ATOM 47 CG1 ILE A 4 7.771 -8.684 -4.571 1.00 25.21 C ATOM 48 CG2 ILE A 4 5.713 -7.693 -3.534 1.00 61.15 C ATOM 49 CD1 ILE A 4 8.384 -9.817 -3.777 1.00 40.04 C ATOM 0 H ILE A 4 6.432 -5.381 -2.742 1.00 62.55 H new ATOM 0 HA ILE A 4 8.653 -6.077 -4.340 1.00 1.20 H new ATOM 0 HB ILE A 4 7.680 -7.624 -2.713 1.00 64.21 H new ATOM 0 HG12 ILE A 4 6.967 -9.079 -5.191 1.00 25.21 H new ATOM 0 HG13 ILE A 4 8.523 -8.276 -5.246 1.00 25.21 H new ATOM 0 HG21 ILE A 4 5.482 -8.666 -3.100 1.00 61.15 H new ATOM 0 HG22 ILE A 4 5.345 -6.906 -2.876 1.00 61.15 H new ATOM 0 HG23 ILE A 4 5.231 -7.606 -4.508 1.00 61.15 H new ATOM 0 HD11 ILE A 4 8.754 -10.581 -4.460 1.00 40.04 H new ATOM 0 HD12 ILE A 4 9.210 -9.435 -3.177 1.00 40.04 H new ATOM 0 HD13 ILE A 4 7.630 -10.251 -3.121 1.00 40.04 H new ATOM 61 N TYR A 5 5.777 -5.656 -5.854 1.00 33.32 N ATOM 62 CA TYR A 5 5.130 -5.543 -7.156 1.00 25.00 C ATOM 63 C TYR A 5 5.501 -4.228 -7.835 1.00 72.14 C ATOM 64 O TYR A 5 5.758 -4.188 -9.039 1.00 11.43 O ATOM 65 CB TYR A 5 3.612 -5.642 -7.005 1.00 55.02 C ATOM 66 CG TYR A 5 3.135 -7.007 -6.563 1.00 74.03 C ATOM 67 CD1 TYR A 5 3.684 -8.164 -7.101 1.00 62.34 C ATOM 68 CD2 TYR A 5 2.134 -7.140 -5.609 1.00 10.34 C ATOM 69 CE1 TYR A 5 3.251 -9.414 -6.701 1.00 42.32 C ATOM 70 CE2 TYR A 5 1.696 -8.385 -5.201 1.00 52.14 C ATOM 71 CZ TYR A 5 2.257 -9.519 -5.751 1.00 3.23 C ATOM 72 OH TYR A 5 1.823 -10.761 -5.349 1.00 14.02 O ATOM 0 H TYR A 5 5.201 -5.352 -5.069 1.00 33.32 H new ATOM 0 HA TYR A 5 5.480 -6.365 -7.780 1.00 25.00 H new ATOM 0 HB2 TYR A 5 3.278 -4.898 -6.282 1.00 55.02 H new ATOM 0 HB3 TYR A 5 3.144 -5.394 -7.957 1.00 55.02 H new ATOM 0 HD1 TYR A 5 4.463 -8.085 -7.845 1.00 62.34 H new ATOM 0 HD2 TYR A 5 1.690 -6.254 -5.179 1.00 10.34 H new ATOM 0 HE1 TYR A 5 3.689 -10.303 -7.130 1.00 42.32 H new ATOM 0 HE2 TYR A 5 0.919 -8.470 -4.456 1.00 52.14 H new ATOM 0 HH TYR A 5 1.120 -10.659 -4.674 1.00 14.02 H new ATOM 82 N LYS A 6 5.527 -3.153 -7.055 1.00 35.33 N ATOM 83 CA LYS A 6 5.867 -1.835 -7.577 1.00 70.44 C ATOM 84 C LYS A 6 7.302 -1.808 -8.092 1.00 65.54 C ATOM 85 O LYS A 6 7.651 -0.991 -8.943 1.00 43.23 O ATOM 86 CB LYS A 6 5.683 -0.771 -6.493 1.00 53.14 C ATOM 87 CG LYS A 6 6.897 -0.599 -5.597 1.00 50.23 C ATOM 88 CD LYS A 6 7.819 0.495 -6.111 1.00 34.30 C ATOM 89 CE LYS A 6 7.413 1.861 -5.579 1.00 61.31 C ATOM 90 NZ LYS A 6 7.644 1.976 -4.112 1.00 73.43 N ATOM 0 H LYS A 6 5.316 -3.169 -6.057 1.00 35.33 H new ATOM 0 HA LYS A 6 5.197 -1.617 -8.408 1.00 70.44 H new ATOM 0 HB2 LYS A 6 5.454 0.183 -6.968 1.00 53.14 H new ATOM 0 HB3 LYS A 6 4.823 -1.036 -5.878 1.00 53.14 H new ATOM 0 HG2 LYS A 6 6.572 -0.357 -4.585 1.00 50.23 H new ATOM 0 HG3 LYS A 6 7.444 -1.540 -5.539 1.00 50.23 H new ATOM 0 HD2 LYS A 6 8.845 0.278 -5.813 1.00 34.30 H new ATOM 0 HD3 LYS A 6 7.799 0.507 -7.201 1.00 34.30 H new ATOM 0 HE2 LYS A 6 7.978 2.635 -6.097 1.00 61.31 H new ATOM 0 HE3 LYS A 6 6.359 2.037 -5.796 1.00 61.31 H new ATOM 0 HZ1 LYS A 6 7.736 2.979 -3.853 1.00 73.43 H new ATOM 0 HZ2 LYS A 6 6.841 1.558 -3.600 1.00 73.43 H new ATOM 0 HZ3 LYS A 6 8.517 1.471 -3.857 1.00 73.43 H new ATOM 104 N ALA A 7 8.130 -2.709 -7.572 1.00 0.32 N ATOM 105 CA ALA A 7 9.526 -2.790 -7.982 1.00 4.12 C ATOM 106 C ALA A 7 9.653 -3.359 -9.391 1.00 34.42 C ATOM 107 O ALA A 7 10.559 -2.995 -10.139 1.00 0.21 O ATOM 108 CB ALA A 7 10.318 -3.636 -6.996 1.00 33.24 C ATOM 0 H ALA A 7 7.857 -3.393 -6.866 1.00 0.32 H new ATOM 0 HA ALA A 7 9.936 -1.780 -7.988 1.00 4.12 H new ATOM 0 HB1 ALA A 7 11.359 -3.688 -7.315 1.00 33.24 H new ATOM 0 HB2 ALA A 7 10.264 -3.186 -6.005 1.00 33.24 H new ATOM 0 HB3 ALA A 7 9.899 -4.642 -6.961 1.00 33.24 H new ATOM 114 N ALA A 8 8.738 -4.256 -9.746 1.00 10.03 N ATOM 115 CA ALA A 8 8.747 -4.875 -11.065 1.00 53.24 C ATOM 116 C ALA A 8 8.049 -3.988 -12.092 1.00 24.51 C ATOM 117 O ALA A 8 8.504 -3.863 -13.229 1.00 51.51 O ATOM 118 CB ALA A 8 8.085 -6.244 -11.011 1.00 12.32 C ATOM 0 H ALA A 8 7.981 -4.570 -9.138 1.00 10.03 H new ATOM 0 HA ALA A 8 9.785 -4.998 -11.374 1.00 53.24 H new ATOM 0 HB1 ALA A 8 8.099 -6.694 -12.004 1.00 12.32 H new ATOM 0 HB2 ALA A 8 8.628 -6.883 -10.315 1.00 12.32 H new ATOM 0 HB3 ALA A 8 7.053 -6.136 -10.676 1.00 12.32 H new ATOM 124 N VAL A 9 6.942 -3.376 -11.684 1.00 24.23 N ATOM 125 CA VAL A 9 6.182 -2.501 -12.568 1.00 63.11 C ATOM 126 C VAL A 9 6.993 -1.268 -12.950 1.00 14.51 C ATOM 127 O VAL A 9 6.848 -0.735 -14.050 1.00 3.55 O ATOM 128 CB VAL A 9 4.862 -2.052 -11.914 1.00 72.34 C ATOM 129 CG1 VAL A 9 5.119 -0.962 -10.885 1.00 71.03 C ATOM 130 CG2 VAL A 9 3.878 -1.576 -12.973 1.00 65.40 C ATOM 0 H VAL A 9 6.552 -3.470 -10.746 1.00 24.23 H new ATOM 0 HA VAL A 9 5.956 -3.076 -13.466 1.00 63.11 H new ATOM 0 HB VAL A 9 4.422 -2.907 -11.400 1.00 72.34 H new ATOM 0 HG11 VAL A 9 4.175 -0.658 -10.434 1.00 71.03 H new ATOM 0 HG12 VAL A 9 5.785 -1.342 -10.111 1.00 71.03 H new ATOM 0 HG13 VAL A 9 5.582 -0.104 -11.372 1.00 71.03 H new ATOM 0 HG21 VAL A 9 2.951 -1.262 -12.493 1.00 65.40 H new ATOM 0 HG22 VAL A 9 4.308 -0.735 -13.517 1.00 65.40 H new ATOM 0 HG23 VAL A 9 3.670 -2.389 -13.668 1.00 65.40 H new ATOM 140 N GLU A 10 7.846 -0.820 -12.034 1.00 14.41 N ATOM 141 CA GLU A 10 8.679 0.352 -12.275 1.00 41.24 C ATOM 142 C GLU A 10 9.765 0.045 -13.303 1.00 54.31 C ATOM 143 O GLU A 10 10.238 0.938 -14.005 1.00 44.21 O ATOM 144 CB GLU A 10 9.318 0.829 -10.969 1.00 41.14 C ATOM 145 CG GLU A 10 10.675 0.204 -10.692 1.00 42.42 C ATOM 146 CD GLU A 10 11.241 0.613 -9.346 1.00 63.30 C ATOM 147 OE1 GLU A 10 10.444 0.919 -8.435 1.00 4.21 O ATOM 148 OE2 GLU A 10 12.482 0.625 -9.204 1.00 41.21 O ATOM 0 H GLU A 10 7.978 -1.251 -11.119 1.00 14.41 H new ATOM 0 HA GLU A 10 8.042 1.144 -12.669 1.00 41.24 H new ATOM 0 HB2 GLU A 10 9.427 1.913 -11.002 1.00 41.14 H new ATOM 0 HB3 GLU A 10 8.647 0.601 -10.141 1.00 41.14 H new ATOM 0 HG2 GLU A 10 10.585 -0.882 -10.730 1.00 42.42 H new ATOM 0 HG3 GLU A 10 11.372 0.494 -11.478 1.00 42.42 H new ATOM 155 N GLN A 11 10.153 -1.223 -13.384 1.00 20.20 N ATOM 156 CA GLN A 11 11.183 -1.648 -14.324 1.00 44.44 C ATOM 157 C GLN A 11 10.586 -1.915 -15.702 1.00 44.41 C ATOM 158 O GLN A 11 11.296 -2.293 -16.635 1.00 50.33 O ATOM 159 CB GLN A 11 11.888 -2.904 -13.809 1.00 0.42 C ATOM 160 CG GLN A 11 12.419 -2.765 -12.391 1.00 43.43 C ATOM 161 CD GLN A 11 13.933 -2.808 -12.329 1.00 24.34 C ATOM 162 OE1 GLN A 11 14.617 -2.077 -13.046 1.00 22.42 O ATOM 163 NE2 GLN A 11 14.466 -3.668 -11.468 1.00 11.32 N ATOM 0 H GLN A 11 9.770 -1.974 -12.810 1.00 20.20 H new ATOM 0 HA GLN A 11 11.912 -0.842 -14.413 1.00 44.44 H new ATOM 0 HB2 GLN A 11 11.193 -3.742 -13.847 1.00 0.42 H new ATOM 0 HB3 GLN A 11 12.716 -3.146 -14.476 1.00 0.42 H new ATOM 0 HG2 GLN A 11 12.068 -1.825 -11.966 1.00 43.43 H new ATOM 0 HG3 GLN A 11 12.011 -3.565 -11.774 1.00 43.43 H new ATOM 0 HE21 GLN A 11 13.862 -4.255 -10.893 1.00 11.32 H new ATOM 0 HE22 GLN A 11 15.480 -3.741 -11.382 1.00 11.32 H new ATOM 172 N LEU A 12 9.278 -1.716 -15.823 1.00 65.01 N ATOM 173 CA LEU A 12 8.585 -1.936 -17.088 1.00 0.53 C ATOM 174 C LEU A 12 9.001 -0.897 -18.124 1.00 54.52 C ATOM 175 O LEU A 12 9.810 -0.011 -17.843 1.00 74.50 O ATOM 176 CB LEU A 12 7.071 -1.885 -16.877 1.00 73.10 C ATOM 177 CG LEU A 12 6.458 -3.066 -16.123 1.00 3.22 C ATOM 178 CD1 LEU A 12 4.981 -2.821 -15.856 1.00 42.32 C ATOM 179 CD2 LEU A 12 6.654 -4.357 -16.904 1.00 20.00 C ATOM 0 H LEU A 12 8.676 -1.403 -15.061 1.00 65.01 H new ATOM 0 HA LEU A 12 8.861 -2.923 -17.459 1.00 0.53 H new ATOM 0 HB2 LEU A 12 6.830 -0.970 -16.336 1.00 73.10 H new ATOM 0 HB3 LEU A 12 6.591 -1.814 -17.853 1.00 73.10 H new ATOM 0 HG LEU A 12 6.968 -3.164 -15.164 1.00 3.22 H new ATOM 0 HD11 LEU A 12 4.562 -3.672 -15.319 1.00 42.32 H new ATOM 0 HD12 LEU A 12 4.865 -1.919 -15.255 1.00 42.32 H new ATOM 0 HD13 LEU A 12 4.456 -2.696 -16.803 1.00 42.32 H new ATOM 0 HD21 LEU A 12 6.212 -5.187 -16.352 1.00 20.00 H new ATOM 0 HD22 LEU A 12 6.172 -4.270 -17.878 1.00 20.00 H new ATOM 0 HD23 LEU A 12 7.720 -4.540 -17.042 1.00 20.00 H new ATOM 191 N THR A 13 8.440 -1.008 -19.325 1.00 23.44 N ATOM 192 CA THR A 13 8.751 -0.079 -20.403 1.00 4.20 C ATOM 193 C THR A 13 7.584 0.864 -20.671 1.00 34.35 C ATOM 194 O THR A 13 6.439 0.557 -20.339 1.00 1.45 O ATOM 195 CB THR A 13 9.103 -0.825 -21.704 1.00 53.10 C ATOM 196 OG1 THR A 13 9.076 0.082 -22.811 1.00 42.45 O ATOM 197 CG2 THR A 13 8.128 -1.966 -21.953 1.00 60.04 C ATOM 0 H THR A 13 7.767 -1.733 -19.575 1.00 23.44 H new ATOM 0 HA THR A 13 9.616 0.501 -20.080 1.00 4.20 H new ATOM 0 HB THR A 13 10.105 -1.240 -21.600 1.00 53.10 H new ATOM 0 HG1 THR A 13 9.425 -0.366 -23.610 1.00 42.45 H new ATOM 0 HG21 THR A 13 8.396 -2.478 -22.877 1.00 60.04 H new ATOM 0 HG22 THR A 13 8.172 -2.670 -21.122 1.00 60.04 H new ATOM 0 HG23 THR A 13 7.117 -1.568 -22.039 1.00 60.04 H new ATOM 205 N GLU A 14 7.881 2.011 -21.273 1.00 71.22 N ATOM 206 CA GLU A 14 6.854 2.998 -21.585 1.00 33.22 C ATOM 207 C GLU A 14 5.704 2.360 -22.359 1.00 53.32 C ATOM 208 O GLU A 14 4.536 2.654 -22.108 1.00 55.13 O ATOM 209 CB GLU A 14 7.451 4.150 -22.395 1.00 4.35 C ATOM 210 CG GLU A 14 8.497 4.950 -21.635 1.00 73.11 C ATOM 211 CD GLU A 14 9.526 5.583 -22.551 1.00 61.11 C ATOM 212 OE1 GLU A 14 9.183 6.568 -23.237 1.00 55.41 O ATOM 213 OE2 GLU A 14 10.674 5.093 -22.582 1.00 43.23 O ATOM 0 H GLU A 14 8.824 2.280 -21.554 1.00 71.22 H new ATOM 0 HA GLU A 14 6.464 3.389 -20.645 1.00 33.22 H new ATOM 0 HB2 GLU A 14 7.901 3.749 -23.303 1.00 4.35 H new ATOM 0 HB3 GLU A 14 6.648 4.819 -22.705 1.00 4.35 H new ATOM 0 HG2 GLU A 14 8.003 5.730 -21.056 1.00 73.11 H new ATOM 0 HG3 GLU A 14 9.002 4.297 -20.923 1.00 73.11 H new ATOM 220 N GLU A 15 6.045 1.487 -23.302 1.00 31.14 N ATOM 221 CA GLU A 15 5.041 0.809 -24.114 1.00 1.24 C ATOM 222 C GLU A 15 4.126 -0.049 -23.244 1.00 44.50 C ATOM 223 O GLU A 15 2.949 -0.227 -23.553 1.00 72.42 O ATOM 224 CB GLU A 15 5.715 -0.061 -25.177 1.00 3.43 C ATOM 225 CG GLU A 15 6.555 -1.187 -24.598 1.00 44.14 C ATOM 226 CD GLU A 15 7.009 -2.177 -25.653 1.00 63.13 C ATOM 227 OE1 GLU A 15 7.955 -1.855 -26.402 1.00 61.12 O ATOM 228 OE2 GLU A 15 6.418 -3.275 -25.729 1.00 41.43 O ATOM 0 H GLU A 15 7.008 1.233 -23.522 1.00 31.14 H new ATOM 0 HA GLU A 15 4.436 1.570 -24.607 1.00 1.24 H new ATOM 0 HB2 GLU A 15 4.949 -0.487 -25.825 1.00 3.43 H new ATOM 0 HB3 GLU A 15 6.348 0.569 -25.802 1.00 3.43 H new ATOM 0 HG2 GLU A 15 7.429 -0.765 -24.101 1.00 44.14 H new ATOM 0 HG3 GLU A 15 5.978 -1.712 -23.837 1.00 44.14 H new ATOM 235 N GLN A 16 4.678 -0.576 -22.156 1.00 62.32 N ATOM 236 CA GLN A 16 3.913 -1.416 -21.243 1.00 33.43 C ATOM 237 C GLN A 16 2.877 -0.593 -20.484 1.00 50.24 C ATOM 238 O GLN A 16 1.689 -0.917 -20.485 1.00 1.34 O ATOM 239 CB GLN A 16 4.848 -2.116 -20.255 1.00 32.21 C ATOM 240 CG GLN A 16 4.989 -3.609 -20.504 1.00 61.12 C ATOM 241 CD GLN A 16 5.542 -3.921 -21.881 1.00 25.13 C ATOM 242 OE1 GLN A 16 4.966 -3.533 -22.897 1.00 12.41 O ATOM 243 NE2 GLN A 16 6.667 -4.626 -21.921 1.00 70.21 N ATOM 0 H GLN A 16 5.652 -0.436 -21.886 1.00 62.32 H new ATOM 0 HA GLN A 16 3.391 -2.168 -21.834 1.00 33.43 H new ATOM 0 HB2 GLN A 16 5.833 -1.652 -20.309 1.00 32.21 H new ATOM 0 HB3 GLN A 16 4.477 -1.958 -19.242 1.00 32.21 H new ATOM 0 HG2 GLN A 16 5.645 -4.039 -19.747 1.00 61.12 H new ATOM 0 HG3 GLN A 16 4.015 -4.086 -20.391 1.00 61.12 H new ATOM 0 HE21 GLN A 16 7.111 -4.927 -21.054 1.00 70.21 H new ATOM 0 HE22 GLN A 16 7.087 -4.866 -22.819 1.00 70.21 H new ATOM 252 N LYS A 17 3.335 0.474 -19.838 1.00 13.01 N ATOM 253 CA LYS A 17 2.449 1.346 -19.076 1.00 33.23 C ATOM 254 C LYS A 17 1.308 1.860 -19.948 1.00 61.34 C ATOM 255 O LYS A 17 0.223 2.162 -19.453 1.00 62.23 O ATOM 256 CB LYS A 17 3.234 2.525 -18.497 1.00 52.34 C ATOM 257 CG LYS A 17 3.238 2.567 -16.979 1.00 41.11 C ATOM 258 CD LYS A 17 3.924 1.346 -16.390 1.00 34.15 C ATOM 259 CE LYS A 17 5.163 1.731 -15.596 1.00 71.02 C ATOM 260 NZ LYS A 17 4.848 2.704 -14.514 1.00 4.31 N ATOM 0 H LYS A 17 4.315 0.756 -19.827 1.00 13.01 H new ATOM 0 HA LYS A 17 2.023 0.764 -18.258 1.00 33.23 H new ATOM 0 HB2 LYS A 17 4.263 2.475 -18.853 1.00 52.34 H new ATOM 0 HB3 LYS A 17 2.810 3.454 -18.877 1.00 52.34 H new ATOM 0 HG2 LYS A 17 3.746 3.470 -16.640 1.00 41.11 H new ATOM 0 HG3 LYS A 17 2.213 2.622 -16.613 1.00 41.11 H new ATOM 0 HD2 LYS A 17 3.227 0.813 -15.743 1.00 34.15 H new ATOM 0 HD3 LYS A 17 4.202 0.662 -17.192 1.00 34.15 H new ATOM 0 HE2 LYS A 17 5.608 0.836 -15.161 1.00 71.02 H new ATOM 0 HE3 LYS A 17 5.905 2.162 -16.268 1.00 71.02 H new ATOM 0 HZ1 LYS A 17 5.550 2.615 -13.752 1.00 4.31 H new ATOM 0 HZ2 LYS A 17 4.874 3.670 -14.898 1.00 4.31 H new ATOM 0 HZ3 LYS A 17 3.899 2.507 -14.136 1.00 4.31 H new ATOM 274 N ASN A 18 1.561 1.955 -21.250 1.00 22.33 N ATOM 275 CA ASN A 18 0.555 2.431 -22.191 1.00 54.23 C ATOM 276 C ASN A 18 -0.614 1.454 -22.279 1.00 42.13 C ATOM 277 O ASN A 18 -1.763 1.860 -22.448 1.00 31.14 O ATOM 278 CB ASN A 18 1.174 2.628 -23.576 1.00 44.42 C ATOM 279 CG ASN A 18 1.196 4.085 -23.998 1.00 24.13 C ATOM 280 OD1 ASN A 18 0.300 4.856 -23.654 1.00 23.22 O ATOM 281 ND2 ASN A 18 2.224 4.468 -24.747 1.00 15.40 N ATOM 0 H ASN A 18 2.454 1.708 -21.676 1.00 22.33 H new ATOM 0 HA ASN A 18 0.179 3.388 -21.829 1.00 54.23 H new ATOM 0 HB2 ASN A 18 2.192 2.238 -23.575 1.00 44.42 H new ATOM 0 HB3 ASN A 18 0.611 2.049 -24.308 1.00 44.42 H new ATOM 0 HD21 ASN A 18 2.294 5.436 -25.061 1.00 15.40 H new ATOM 0 HD22 ASN A 18 2.944 3.794 -25.008 1.00 15.40 H new ATOM 288 N GLU A 19 -0.310 0.165 -22.163 1.00 72.04 N ATOM 289 CA GLU A 19 -1.336 -0.870 -22.230 1.00 43.42 C ATOM 290 C GLU A 19 -2.192 -0.869 -20.967 1.00 22.30 C ATOM 291 O GLU A 19 -3.420 -0.927 -21.036 1.00 23.42 O ATOM 292 CB GLU A 19 -0.693 -2.245 -22.423 1.00 44.53 C ATOM 293 CG GLU A 19 -0.072 -2.439 -23.797 1.00 11.34 C ATOM 294 CD GLU A 19 0.689 -3.745 -23.913 1.00 41.04 C ATOM 295 OE1 GLU A 19 1.410 -4.098 -22.957 1.00 21.23 O ATOM 296 OE2 GLU A 19 0.564 -4.413 -24.961 1.00 24.54 O ATOM 0 H GLU A 19 0.637 -0.187 -22.022 1.00 72.04 H new ATOM 0 HA GLU A 19 -1.978 -0.655 -23.084 1.00 43.42 H new ATOM 0 HB2 GLU A 19 0.075 -2.388 -21.663 1.00 44.53 H new ATOM 0 HB3 GLU A 19 -1.447 -3.015 -22.262 1.00 44.53 H new ATOM 0 HG2 GLU A 19 -0.856 -2.411 -24.553 1.00 11.34 H new ATOM 0 HG3 GLU A 19 0.603 -1.609 -24.007 1.00 11.34 H new ATOM 303 N PHE A 20 -1.535 -0.804 -19.814 1.00 25.12 N ATOM 304 CA PHE A 20 -2.234 -0.798 -18.534 1.00 51.24 C ATOM 305 C PHE A 20 -3.079 0.464 -18.383 1.00 31.32 C ATOM 306 O PHE A 20 -4.096 0.464 -17.689 1.00 12.31 O ATOM 307 CB PHE A 20 -1.233 -0.896 -17.381 1.00 72.43 C ATOM 308 CG PHE A 20 -0.371 -2.125 -17.439 1.00 41.24 C ATOM 309 CD1 PHE A 20 -0.864 -3.354 -17.031 1.00 53.43 C ATOM 310 CD2 PHE A 20 0.933 -2.051 -17.903 1.00 12.13 C ATOM 311 CE1 PHE A 20 -0.073 -4.485 -17.083 1.00 65.21 C ATOM 312 CE2 PHE A 20 1.729 -3.179 -17.957 1.00 62.32 C ATOM 313 CZ PHE A 20 1.225 -4.398 -17.548 1.00 23.33 C ATOM 0 H PHE A 20 -0.519 -0.755 -19.740 1.00 25.12 H new ATOM 0 HA PHE A 20 -2.896 -1.664 -18.505 1.00 51.24 H new ATOM 0 HB2 PHE A 20 -0.594 -0.013 -17.389 1.00 72.43 H new ATOM 0 HB3 PHE A 20 -1.777 -0.887 -16.436 1.00 72.43 H new ATOM 0 HD1 PHE A 20 -1.878 -3.428 -16.668 1.00 53.43 H new ATOM 0 HD2 PHE A 20 1.331 -1.101 -18.226 1.00 12.13 H new ATOM 0 HE1 PHE A 20 -0.469 -5.437 -16.760 1.00 65.21 H new ATOM 0 HE2 PHE A 20 2.744 -3.108 -18.319 1.00 62.32 H new ATOM 0 HZ PHE A 20 1.844 -5.282 -17.592 1.00 23.33 H new ATOM 323 N LYS A 21 -2.650 1.538 -19.037 1.00 32.14 N ATOM 324 CA LYS A 21 -3.366 2.807 -18.977 1.00 4.03 C ATOM 325 C LYS A 21 -4.552 2.809 -19.936 1.00 25.21 C ATOM 326 O LYS A 21 -5.584 3.419 -19.660 1.00 41.10 O ATOM 327 CB LYS A 21 -2.422 3.964 -19.313 1.00 52.21 C ATOM 328 CG LYS A 21 -2.979 5.329 -18.947 1.00 11.01 C ATOM 329 CD LYS A 21 -2.332 6.433 -19.766 1.00 1.33 C ATOM 330 CE LYS A 21 -2.594 7.803 -19.159 1.00 45.41 C ATOM 331 NZ LYS A 21 -3.868 8.395 -19.654 1.00 24.24 N ATOM 0 H LYS A 21 -1.810 1.555 -19.615 1.00 32.14 H new ATOM 0 HA LYS A 21 -3.743 2.936 -17.962 1.00 4.03 H new ATOM 0 HB2 LYS A 21 -1.477 3.814 -18.791 1.00 52.21 H new ATOM 0 HB3 LYS A 21 -2.203 3.945 -20.381 1.00 52.21 H new ATOM 0 HG2 LYS A 21 -4.057 5.339 -19.109 1.00 11.01 H new ATOM 0 HG3 LYS A 21 -2.814 5.518 -17.886 1.00 11.01 H new ATOM 0 HD2 LYS A 21 -1.258 6.260 -19.827 1.00 1.33 H new ATOM 0 HD3 LYS A 21 -2.718 6.405 -20.785 1.00 1.33 H new ATOM 0 HE2 LYS A 21 -2.631 7.718 -18.073 1.00 45.41 H new ATOM 0 HE3 LYS A 21 -1.766 8.471 -19.398 1.00 45.41 H new ATOM 0 HZ1 LYS A 21 -4.010 9.328 -19.217 1.00 24.24 H new ATOM 0 HZ2 LYS A 21 -3.823 8.500 -20.688 1.00 24.24 H new ATOM 0 HZ3 LYS A 21 -4.661 7.771 -19.403 1.00 24.24 H new ATOM 345 N ALA A 22 -4.397 2.121 -21.062 1.00 63.14 N ATOM 346 CA ALA A 22 -5.456 2.041 -22.060 1.00 72.32 C ATOM 347 C ALA A 22 -6.514 1.019 -21.657 1.00 21.11 C ATOM 348 O ALA A 22 -7.709 1.314 -21.661 1.00 63.45 O ATOM 349 CB ALA A 22 -4.874 1.691 -23.422 1.00 23.24 C ATOM 0 H ALA A 22 -3.548 1.611 -21.306 1.00 63.14 H new ATOM 0 HA ALA A 22 -5.936 3.018 -22.123 1.00 72.32 H new ATOM 0 HB1 ALA A 22 -5.677 1.635 -24.157 1.00 23.24 H new ATOM 0 HB2 ALA A 22 -4.161 2.459 -23.721 1.00 23.24 H new ATOM 0 HB3 ALA A 22 -4.367 0.728 -23.364 1.00 23.24 H new ATOM 355 N ALA A 23 -6.066 -0.183 -21.309 1.00 75.21 N ATOM 356 CA ALA A 23 -6.975 -1.248 -20.902 1.00 23.02 C ATOM 357 C ALA A 23 -7.761 -0.853 -19.656 1.00 43.43 C ATOM 358 O ALA A 23 -8.855 -1.362 -19.413 1.00 51.51 O ATOM 359 CB ALA A 23 -6.202 -2.535 -20.654 1.00 41.02 C ATOM 0 H ALA A 23 -5.080 -0.444 -21.301 1.00 75.21 H new ATOM 0 HA ALA A 23 -7.686 -1.414 -21.711 1.00 23.02 H new ATOM 0 HB1 ALA A 23 -6.893 -3.322 -20.351 1.00 41.02 H new ATOM 0 HB2 ALA A 23 -5.690 -2.834 -21.569 1.00 41.02 H new ATOM 0 HB3 ALA A 23 -5.468 -2.372 -19.864 1.00 41.02 H new ATOM 365 N PHE A 24 -7.196 0.057 -18.870 1.00 4.23 N ATOM 366 CA PHE A 24 -7.843 0.520 -17.648 1.00 32.43 C ATOM 367 C PHE A 24 -9.030 1.424 -17.970 1.00 25.35 C ATOM 368 O PHE A 24 -10.000 1.484 -17.215 1.00 35.10 O ATOM 369 CB PHE A 24 -6.841 1.268 -16.766 1.00 53.33 C ATOM 370 CG PHE A 24 -7.473 1.946 -15.584 1.00 4.20 C ATOM 371 CD1 PHE A 24 -7.783 1.228 -14.441 1.00 21.43 C ATOM 372 CD2 PHE A 24 -7.756 3.302 -15.616 1.00 53.11 C ATOM 373 CE1 PHE A 24 -8.364 1.848 -13.351 1.00 5.42 C ATOM 374 CE2 PHE A 24 -8.336 3.928 -14.529 1.00 54.32 C ATOM 375 CZ PHE A 24 -8.642 3.200 -13.396 1.00 5.44 C ATOM 0 H PHE A 24 -6.291 0.489 -19.057 1.00 4.23 H new ATOM 0 HA PHE A 24 -8.210 -0.353 -17.108 1.00 32.43 H new ATOM 0 HB2 PHE A 24 -6.086 0.566 -16.412 1.00 53.33 H new ATOM 0 HB3 PHE A 24 -6.324 2.014 -17.369 1.00 53.33 H new ATOM 0 HD1 PHE A 24 -7.568 0.170 -14.401 1.00 21.43 H new ATOM 0 HD2 PHE A 24 -7.521 3.876 -16.500 1.00 53.11 H new ATOM 0 HE1 PHE A 24 -8.600 1.276 -12.466 1.00 5.42 H new ATOM 0 HE2 PHE A 24 -8.550 4.986 -14.566 1.00 54.32 H new ATOM 0 HZ PHE A 24 -9.098 3.687 -12.547 1.00 5.44 H new ATOM 385 N ASP A 25 -8.943 2.125 -19.094 1.00 41.22 N ATOM 386 CA ASP A 25 -10.009 3.026 -19.517 1.00 45.33 C ATOM 387 C ASP A 25 -11.279 2.249 -19.847 1.00 63.44 C ATOM 388 O ASP A 25 -12.383 2.670 -19.503 1.00 53.34 O ATOM 389 CB ASP A 25 -9.564 3.841 -20.733 1.00 60.01 C ATOM 390 CG ASP A 25 -10.669 4.730 -21.269 1.00 45.25 C ATOM 391 OD1 ASP A 25 -11.275 5.471 -20.468 1.00 44.51 O ATOM 392 OD2 ASP A 25 -10.927 4.684 -22.491 1.00 15.25 O ATOM 0 H ASP A 25 -8.146 2.087 -19.729 1.00 41.22 H new ATOM 0 HA ASP A 25 -10.225 3.706 -18.693 1.00 45.33 H new ATOM 0 HB2 ASP A 25 -8.706 4.456 -20.461 1.00 60.01 H new ATOM 0 HB3 ASP A 25 -9.233 3.163 -21.520 1.00 60.01 H new ATOM 397 N ILE A 26 -11.114 1.113 -20.517 1.00 23.33 N ATOM 398 CA ILE A 26 -12.247 0.277 -20.893 1.00 21.20 C ATOM 399 C ILE A 26 -12.934 -0.305 -19.662 1.00 1.40 C ATOM 400 O ILE A 26 -14.159 -0.417 -19.616 1.00 51.43 O ATOM 401 CB ILE A 26 -11.814 -0.876 -21.818 1.00 24.13 C ATOM 402 CG1 ILE A 26 -11.163 -0.323 -23.088 1.00 34.43 C ATOM 403 CG2 ILE A 26 -13.007 -1.753 -22.166 1.00 31.02 C ATOM 404 CD1 ILE A 26 -9.653 -0.401 -23.076 1.00 3.21 C ATOM 0 H ILE A 26 -10.207 0.751 -20.810 1.00 23.33 H new ATOM 0 HA ILE A 26 -12.947 0.918 -21.428 1.00 21.20 H new ATOM 0 HB ILE A 26 -11.080 -1.487 -21.293 1.00 24.13 H new ATOM 0 HG12 ILE A 26 -11.540 -0.874 -23.949 1.00 34.43 H new ATOM 0 HG13 ILE A 26 -11.464 0.717 -23.218 1.00 34.43 H new ATOM 0 HG21 ILE A 26 -12.685 -2.563 -22.820 1.00 31.02 H new ATOM 0 HG22 ILE A 26 -13.430 -2.171 -21.253 1.00 31.02 H new ATOM 0 HG23 ILE A 26 -13.762 -1.154 -22.675 1.00 31.02 H new ATOM 0 HD11 ILE A 26 -9.260 0.008 -24.007 1.00 3.21 H new ATOM 0 HD12 ILE A 26 -9.266 0.174 -22.235 1.00 3.21 H new ATOM 0 HD13 ILE A 26 -9.343 -1.441 -22.978 1.00 3.21 H new ATOM 416 N PHE A 27 -12.136 -0.672 -18.664 1.00 55.23 N ATOM 417 CA PHE A 27 -12.667 -1.241 -17.431 1.00 74.22 C ATOM 418 C PHE A 27 -13.559 -0.236 -16.708 1.00 31.21 C ATOM 419 O PHE A 27 -14.704 -0.537 -16.368 1.00 4.50 O ATOM 420 CB PHE A 27 -11.524 -1.679 -16.513 1.00 74.22 C ATOM 421 CG PHE A 27 -11.090 -3.100 -16.733 1.00 31.23 C ATOM 422 CD1 PHE A 27 -10.602 -3.507 -17.964 1.00 3.02 C ATOM 423 CD2 PHE A 27 -11.171 -4.029 -15.708 1.00 20.31 C ATOM 424 CE1 PHE A 27 -10.201 -4.814 -18.169 1.00 41.21 C ATOM 425 CE2 PHE A 27 -10.771 -5.337 -15.907 1.00 73.22 C ATOM 426 CZ PHE A 27 -10.287 -5.730 -17.139 1.00 62.35 C ATOM 0 H PHE A 27 -11.120 -0.585 -18.685 1.00 55.23 H new ATOM 0 HA PHE A 27 -13.268 -2.112 -17.692 1.00 74.22 H new ATOM 0 HB2 PHE A 27 -10.671 -1.019 -16.668 1.00 74.22 H new ATOM 0 HB3 PHE A 27 -11.836 -1.559 -15.475 1.00 74.22 H new ATOM 0 HD1 PHE A 27 -10.534 -2.795 -18.773 1.00 3.02 H new ATOM 0 HD2 PHE A 27 -11.551 -3.728 -14.743 1.00 20.31 H new ATOM 0 HE1 PHE A 27 -9.821 -5.118 -19.133 1.00 41.21 H new ATOM 0 HE2 PHE A 27 -10.837 -6.051 -15.099 1.00 73.22 H new ATOM 0 HZ PHE A 27 -9.976 -6.752 -17.297 1.00 62.35 H new ATOM 436 N VAL A 28 -13.026 0.959 -16.475 1.00 63.01 N ATOM 437 CA VAL A 28 -13.772 2.009 -15.793 1.00 0.42 C ATOM 438 C VAL A 28 -14.644 2.788 -16.771 1.00 75.32 C ATOM 439 O VAL A 28 -15.284 3.774 -16.401 1.00 63.44 O ATOM 440 CB VAL A 28 -12.829 2.990 -15.071 1.00 65.02 C ATOM 441 CG1 VAL A 28 -11.915 2.244 -14.111 1.00 34.54 C ATOM 442 CG2 VAL A 28 -12.017 3.788 -16.080 1.00 65.44 C ATOM 0 H VAL A 28 -12.080 1.224 -16.749 1.00 63.01 H new ATOM 0 HA VAL A 28 -14.407 1.517 -15.056 1.00 0.42 H new ATOM 0 HB VAL A 28 -13.434 3.688 -14.491 1.00 65.02 H new ATOM 0 HG11 VAL A 28 -11.256 2.954 -13.610 1.00 34.54 H new ATOM 0 HG12 VAL A 28 -12.517 1.721 -13.368 1.00 34.54 H new ATOM 0 HG13 VAL A 28 -11.316 1.522 -14.666 1.00 34.54 H new ATOM 0 HG21 VAL A 28 -11.356 4.476 -15.553 1.00 65.44 H new ATOM 0 HG22 VAL A 28 -11.421 3.107 -16.688 1.00 65.44 H new ATOM 0 HG23 VAL A 28 -12.691 4.354 -16.724 1.00 65.44 H new ATOM 452 N LEU A 29 -14.667 2.339 -18.021 1.00 73.32 N ATOM 453 CA LEU A 29 -15.463 2.993 -19.055 1.00 25.33 C ATOM 454 C LEU A 29 -16.952 2.896 -18.738 1.00 44.54 C ATOM 455 O LEU A 29 -17.754 3.687 -19.233 1.00 0.34 O ATOM 456 CB LEU A 29 -15.178 2.364 -20.420 1.00 23.55 C ATOM 457 CG LEU A 29 -16.292 1.495 -21.004 1.00 53.21 C ATOM 458 CD1 LEU A 29 -17.290 2.351 -21.769 1.00 33.15 C ATOM 459 CD2 LEU A 29 -15.710 0.417 -21.906 1.00 75.43 C ATOM 0 H LEU A 29 -14.144 1.525 -18.344 1.00 73.32 H new ATOM 0 HA LEU A 29 -15.184 4.046 -19.082 1.00 25.33 H new ATOM 0 HB2 LEU A 29 -14.960 3.164 -21.128 1.00 23.55 H new ATOM 0 HB3 LEU A 29 -14.277 1.757 -20.337 1.00 23.55 H new ATOM 0 HG LEU A 29 -16.816 1.008 -20.182 1.00 53.21 H new ATOM 0 HD11 LEU A 29 -18.076 1.716 -22.178 1.00 33.15 H new ATOM 0 HD12 LEU A 29 -17.731 3.086 -21.095 1.00 33.15 H new ATOM 0 HD13 LEU A 29 -16.779 2.866 -22.583 1.00 33.15 H new ATOM 0 HD21 LEU A 29 -16.517 -0.192 -22.313 1.00 75.43 H new ATOM 0 HD22 LEU A 29 -15.161 0.884 -22.723 1.00 75.43 H new ATOM 0 HD23 LEU A 29 -15.035 -0.215 -21.329 1.00 75.43 H new ATOM 471 N GLY A 30 -17.314 1.922 -17.909 1.00 44.20 N ATOM 472 CA GLY A 30 -18.705 1.742 -17.539 1.00 73.11 C ATOM 473 C GLY A 30 -19.119 2.635 -16.387 1.00 14.42 C ATOM 474 O GLY A 30 -20.280 3.032 -16.286 1.00 31.51 O ATOM 0 H GLY A 30 -16.668 1.254 -17.487 1.00 44.20 H new ATOM 0 HA2 GLY A 30 -19.337 1.951 -18.402 1.00 73.11 H new ATOM 0 HA3 GLY A 30 -18.873 0.700 -17.266 1.00 73.11 H new ATOM 478 N ALA A 31 -18.168 2.952 -15.514 1.00 53.23 N ATOM 479 CA ALA A 31 -18.440 3.805 -14.364 1.00 33.32 C ATOM 480 C ALA A 31 -18.613 5.260 -14.787 1.00 20.50 C ATOM 481 O ALA A 31 -18.506 5.588 -15.968 1.00 1.21 O ATOM 482 CB ALA A 31 -17.323 3.680 -13.339 1.00 2.33 C ATOM 0 H ALA A 31 -17.202 2.631 -15.582 1.00 53.23 H new ATOM 0 HA ALA A 31 -19.374 3.474 -13.910 1.00 33.32 H new ATOM 0 HB1 ALA A 31 -17.539 4.322 -12.485 1.00 2.33 H new ATOM 0 HB2 ALA A 31 -17.250 2.645 -13.005 1.00 2.33 H new ATOM 0 HB3 ALA A 31 -16.379 3.983 -13.791 1.00 2.33 H new ATOM 488 N GLU A 32 -18.881 6.126 -13.815 1.00 53.01 N ATOM 489 CA GLU A 32 -19.070 7.546 -14.089 1.00 73.31 C ATOM 490 C GLU A 32 -17.871 8.357 -13.607 1.00 12.21 C ATOM 491 O GLU A 32 -17.413 9.273 -14.290 1.00 11.41 O ATOM 492 CB GLU A 32 -20.347 8.052 -13.415 1.00 51.31 C ATOM 493 CG GLU A 32 -20.369 7.835 -11.911 1.00 42.54 C ATOM 494 CD GLU A 32 -21.694 8.224 -11.285 1.00 72.51 C ATOM 495 OE1 GLU A 32 -22.259 9.263 -11.686 1.00 24.25 O ATOM 496 OE2 GLU A 32 -22.167 7.487 -10.394 1.00 62.11 O ATOM 0 H GLU A 32 -18.972 5.870 -12.832 1.00 53.01 H new ATOM 0 HA GLU A 32 -19.162 7.673 -15.168 1.00 73.31 H new ATOM 0 HB2 GLU A 32 -20.460 9.116 -13.622 1.00 51.31 H new ATOM 0 HB3 GLU A 32 -21.206 7.549 -13.859 1.00 51.31 H new ATOM 0 HG2 GLU A 32 -20.164 6.786 -11.696 1.00 42.54 H new ATOM 0 HG3 GLU A 32 -19.570 8.417 -11.452 1.00 42.54 H new ATOM 503 N ASP A 33 -17.369 8.014 -12.426 1.00 43.11 N ATOM 504 CA ASP A 33 -16.223 8.709 -11.852 1.00 2.54 C ATOM 505 C ASP A 33 -14.916 8.163 -12.418 1.00 42.51 C ATOM 506 O ASP A 33 -13.940 8.897 -12.573 1.00 73.22 O ATOM 507 CB ASP A 33 -16.229 8.574 -10.328 1.00 44.51 C ATOM 508 CG ASP A 33 -17.327 9.393 -9.679 1.00 32.25 C ATOM 509 OD1 ASP A 33 -17.901 10.266 -10.363 1.00 73.53 O ATOM 510 OD2 ASP A 33 -17.614 9.160 -8.486 1.00 25.13 O ATOM 0 H ASP A 33 -17.738 7.259 -11.848 1.00 43.11 H new ATOM 0 HA ASP A 33 -16.299 9.764 -12.116 1.00 2.54 H new ATOM 0 HB2 ASP A 33 -16.355 7.525 -10.060 1.00 44.51 H new ATOM 0 HB3 ASP A 33 -15.263 8.890 -9.934 1.00 44.51 H new ATOM 515 N GLY A 34 -14.904 6.870 -12.724 1.00 70.43 N ATOM 516 CA GLY A 34 -13.712 6.247 -13.269 1.00 5.02 C ATOM 517 C GLY A 34 -13.056 5.294 -12.289 1.00 11.10 C ATOM 518 O GLY A 34 -11.865 5.414 -11.998 1.00 72.15 O ATOM 0 H GLY A 34 -15.699 6.242 -12.604 1.00 70.43 H new ATOM 0 HA2 GLY A 34 -13.972 5.706 -14.179 1.00 5.02 H new ATOM 0 HA3 GLY A 34 -12.998 7.021 -13.552 1.00 5.02 H new ATOM 522 N CYS A 35 -13.834 4.347 -11.777 1.00 71.12 N ATOM 523 CA CYS A 35 -13.323 3.371 -10.822 1.00 25.24 C ATOM 524 C CYS A 35 -13.984 2.012 -11.026 1.00 32.24 C ATOM 525 O CYS A 35 -14.893 1.870 -11.844 1.00 62.35 O ATOM 526 CB CYS A 35 -13.557 3.856 -9.390 1.00 50.03 C ATOM 527 SG CYS A 35 -15.254 4.385 -9.059 1.00 1.01 S ATOM 0 H CYS A 35 -14.821 4.234 -12.007 1.00 71.12 H new ATOM 0 HA CYS A 35 -12.252 3.262 -10.990 1.00 25.24 H new ATOM 0 HB2 CYS A 35 -13.296 3.054 -8.699 1.00 50.03 H new ATOM 0 HB3 CYS A 35 -12.882 4.687 -9.184 1.00 50.03 H new ATOM 0 HG CYS A 35 -15.354 4.775 -7.823 1.00 1.01 H new ATOM 533 N ILE A 36 -13.522 1.016 -10.277 1.00 45.14 N ATOM 534 CA ILE A 36 -14.068 -0.331 -10.377 1.00 32.40 C ATOM 535 C ILE A 36 -14.402 -0.892 -8.999 1.00 33.41 C ATOM 536 O ILE A 36 -13.527 -1.031 -8.145 1.00 2.33 O ATOM 537 CB ILE A 36 -13.088 -1.286 -11.083 1.00 64.05 C ATOM 538 CG1 ILE A 36 -12.791 -0.790 -12.500 1.00 64.22 C ATOM 539 CG2 ILE A 36 -13.655 -2.697 -11.118 1.00 63.33 C ATOM 540 CD1 ILE A 36 -11.382 -1.090 -12.963 1.00 20.55 C ATOM 0 H ILE A 36 -12.771 1.117 -9.594 1.00 45.14 H new ATOM 0 HA ILE A 36 -14.980 -0.258 -10.969 1.00 32.40 H new ATOM 0 HB ILE A 36 -12.154 -1.305 -10.521 1.00 64.05 H new ATOM 0 HG12 ILE A 36 -13.497 -1.248 -13.192 1.00 64.22 H new ATOM 0 HG13 ILE A 36 -12.957 0.286 -12.542 1.00 64.22 H new ATOM 0 HG21 ILE A 36 -12.950 -3.360 -11.620 1.00 63.33 H new ATOM 0 HG22 ILE A 36 -13.821 -3.048 -10.099 1.00 63.33 H new ATOM 0 HG23 ILE A 36 -14.601 -2.696 -11.659 1.00 63.33 H new ATOM 0 HD11 ILE A 36 -11.243 -0.710 -13.975 1.00 20.55 H new ATOM 0 HD12 ILE A 36 -10.669 -0.609 -12.294 1.00 20.55 H new ATOM 0 HD13 ILE A 36 -11.218 -2.168 -12.954 1.00 20.55 H new ATOM 552 N SER A 37 -15.675 -1.216 -8.790 1.00 44.41 N ATOM 553 CA SER A 37 -16.126 -1.760 -7.515 1.00 25.22 C ATOM 554 C SER A 37 -16.012 -3.282 -7.503 1.00 54.43 C ATOM 555 O SER A 37 -16.147 -3.934 -8.539 1.00 21.41 O ATOM 556 CB SER A 37 -17.572 -1.343 -7.241 1.00 3.23 C ATOM 557 OG SER A 37 -18.350 -1.392 -8.424 1.00 44.21 O ATOM 0 H SER A 37 -16.412 -1.111 -9.488 1.00 44.41 H new ATOM 0 HA SER A 37 -15.485 -1.359 -6.730 1.00 25.22 H new ATOM 0 HB2 SER A 37 -18.007 -2.001 -6.489 1.00 3.23 H new ATOM 0 HB3 SER A 37 -17.591 -0.333 -6.831 1.00 3.23 H new ATOM 0 HG SER A 37 -19.270 -1.123 -8.222 1.00 44.21 H new ATOM 563 N THR A 38 -15.764 -3.842 -6.323 1.00 40.54 N ATOM 564 CA THR A 38 -15.631 -5.285 -6.175 1.00 73.32 C ATOM 565 C THR A 38 -16.821 -6.013 -6.792 1.00 4.25 C ATOM 566 O THR A 38 -16.700 -7.154 -7.238 1.00 54.23 O ATOM 567 CB THR A 38 -15.508 -5.689 -4.694 1.00 34.12 C ATOM 568 OG1 THR A 38 -15.703 -7.101 -4.553 1.00 53.31 O ATOM 569 CG2 THR A 38 -16.526 -4.944 -3.844 1.00 35.23 C ATOM 0 H THR A 38 -15.651 -3.317 -5.456 1.00 40.54 H new ATOM 0 HA THR A 38 -14.720 -5.574 -6.699 1.00 73.32 H new ATOM 0 HB THR A 38 -14.508 -5.425 -4.350 1.00 34.12 H new ATOM 0 HG1 THR A 38 -16.234 -7.279 -3.749 1.00 53.31 H new ATOM 0 HG21 THR A 38 -16.420 -5.246 -2.802 1.00 35.23 H new ATOM 0 HG22 THR A 38 -16.356 -3.871 -3.930 1.00 35.23 H new ATOM 0 HG23 THR A 38 -17.532 -5.181 -4.190 1.00 35.23 H new ATOM 577 N LYS A 39 -17.970 -5.346 -6.814 1.00 5.25 N ATOM 578 CA LYS A 39 -19.182 -5.928 -7.377 1.00 41.30 C ATOM 579 C LYS A 39 -19.047 -6.112 -8.885 1.00 40.22 C ATOM 580 O LYS A 39 -19.231 -7.212 -9.404 1.00 34.44 O ATOM 581 CB LYS A 39 -20.390 -5.041 -7.067 1.00 2.31 C ATOM 582 CG LYS A 39 -20.568 -4.752 -5.586 1.00 74.04 C ATOM 583 CD LYS A 39 -21.011 -5.991 -4.826 1.00 63.01 C ATOM 584 CE LYS A 39 -22.522 -6.160 -4.867 1.00 63.44 C ATOM 585 NZ LYS A 39 -23.224 -5.047 -4.172 1.00 1.43 N ATOM 0 H LYS A 39 -18.087 -4.401 -6.448 1.00 5.25 H new ATOM 0 HA LYS A 39 -19.331 -6.907 -6.921 1.00 41.30 H new ATOM 0 HB2 LYS A 39 -20.285 -4.098 -7.603 1.00 2.31 H new ATOM 0 HB3 LYS A 39 -21.291 -5.523 -7.445 1.00 2.31 H new ATOM 0 HG2 LYS A 39 -19.629 -4.385 -5.170 1.00 74.04 H new ATOM 0 HG3 LYS A 39 -21.306 -3.960 -5.455 1.00 74.04 H new ATOM 0 HD2 LYS A 39 -20.534 -6.872 -5.255 1.00 63.01 H new ATOM 0 HD3 LYS A 39 -20.680 -5.921 -3.790 1.00 63.01 H new ATOM 0 HE2 LYS A 39 -22.854 -6.207 -5.904 1.00 63.44 H new ATOM 0 HE3 LYS A 39 -22.794 -7.107 -4.402 1.00 63.44 H new ATOM 0 HZ1 LYS A 39 -23.843 -5.435 -3.432 1.00 1.43 H new ATOM 0 HZ2 LYS A 39 -22.524 -4.411 -3.739 1.00 1.43 H new ATOM 0 HZ3 LYS A 39 -23.797 -4.515 -4.858 1.00 1.43 H new ATOM 599 N GLU A 40 -18.723 -5.027 -9.583 1.00 22.54 N ATOM 600 CA GLU A 40 -18.563 -5.071 -11.031 1.00 64.53 C ATOM 601 C GLU A 40 -17.277 -5.799 -11.415 1.00 1.53 C ATOM 602 O GLU A 40 -17.176 -6.376 -12.498 1.00 40.21 O ATOM 603 CB GLU A 40 -18.552 -3.655 -11.609 1.00 2.53 C ATOM 604 CG GLU A 40 -19.655 -2.765 -11.060 1.00 73.45 C ATOM 605 CD GLU A 40 -21.040 -3.246 -11.451 1.00 4.31 C ATOM 606 OE1 GLU A 40 -21.269 -3.479 -12.656 1.00 15.41 O ATOM 607 OE2 GLU A 40 -21.893 -3.389 -10.550 1.00 50.24 O ATOM 0 H GLU A 40 -18.567 -4.108 -9.169 1.00 22.54 H new ATOM 0 HA GLU A 40 -19.408 -5.619 -11.447 1.00 64.53 H new ATOM 0 HB2 GLU A 40 -17.587 -3.194 -11.400 1.00 2.53 H new ATOM 0 HB3 GLU A 40 -18.649 -3.713 -12.693 1.00 2.53 H new ATOM 0 HG2 GLU A 40 -19.580 -2.728 -9.973 1.00 73.45 H new ATOM 0 HG3 GLU A 40 -19.511 -1.748 -11.424 1.00 73.45 H new ATOM 614 N LEU A 41 -16.296 -5.766 -10.519 1.00 53.42 N ATOM 615 CA LEU A 41 -15.016 -6.421 -10.762 1.00 43.34 C ATOM 616 C LEU A 41 -15.197 -7.926 -10.930 1.00 11.14 C ATOM 617 O LEU A 41 -14.391 -8.590 -11.580 1.00 74.20 O ATOM 618 CB LEU A 41 -14.049 -6.137 -9.612 1.00 5.32 C ATOM 619 CG LEU A 41 -12.708 -6.870 -9.665 1.00 61.33 C ATOM 620 CD1 LEU A 41 -12.117 -6.800 -11.065 1.00 25.13 C ATOM 621 CD2 LEU A 41 -11.740 -6.288 -8.646 1.00 12.25 C ATOM 0 H LEU A 41 -16.363 -5.293 -9.618 1.00 53.42 H new ATOM 0 HA LEU A 41 -14.600 -6.019 -11.686 1.00 43.34 H new ATOM 0 HB2 LEU A 41 -13.853 -5.065 -9.585 1.00 5.32 H new ATOM 0 HB3 LEU A 41 -14.544 -6.394 -8.676 1.00 5.32 H new ATOM 0 HG LEU A 41 -12.879 -7.917 -9.416 1.00 61.33 H new ATOM 0 HD11 LEU A 41 -11.163 -7.327 -11.084 1.00 25.13 H new ATOM 0 HD12 LEU A 41 -12.803 -7.265 -11.773 1.00 25.13 H new ATOM 0 HD13 LEU A 41 -11.961 -5.757 -11.343 1.00 25.13 H new ATOM 0 HD21 LEU A 41 -10.791 -6.822 -8.699 1.00 12.25 H new ATOM 0 HD22 LEU A 41 -11.574 -5.233 -8.863 1.00 12.25 H new ATOM 0 HD23 LEU A 41 -12.160 -6.391 -7.645 1.00 12.25 H new ATOM 633 N GLY A 42 -16.263 -8.458 -10.339 1.00 11.32 N ATOM 634 CA GLY A 42 -16.532 -9.880 -10.436 1.00 35.41 C ATOM 635 C GLY A 42 -17.003 -10.289 -11.818 1.00 3.41 C ATOM 636 O GLY A 42 -16.843 -11.441 -12.222 1.00 10.34 O ATOM 0 H GLY A 42 -16.945 -7.929 -9.795 1.00 11.32 H new ATOM 0 HA2 GLY A 42 -15.628 -10.435 -10.185 1.00 35.41 H new ATOM 0 HA3 GLY A 42 -17.289 -10.154 -9.702 1.00 35.41 H new ATOM 640 N LYS A 43 -17.586 -9.342 -12.546 1.00 31.50 N ATOM 641 CA LYS A 43 -18.082 -9.608 -13.891 1.00 72.30 C ATOM 642 C LYS A 43 -16.928 -9.846 -14.859 1.00 70.45 C ATOM 643 O LYS A 43 -17.024 -10.677 -15.763 1.00 52.44 O ATOM 644 CB LYS A 43 -18.940 -8.439 -14.381 1.00 21.23 C ATOM 645 CG LYS A 43 -18.179 -7.445 -15.240 1.00 41.33 C ATOM 646 CD LYS A 43 -19.058 -6.275 -15.651 1.00 21.40 C ATOM 647 CE LYS A 43 -18.500 -5.560 -16.872 1.00 24.23 C ATOM 648 NZ LYS A 43 -18.743 -6.328 -18.124 1.00 54.01 N ATOM 0 H LYS A 43 -17.726 -8.383 -12.227 1.00 31.50 H new ATOM 0 HA LYS A 43 -18.694 -10.509 -13.854 1.00 72.30 H new ATOM 0 HB2 LYS A 43 -19.781 -8.831 -14.953 1.00 21.23 H new ATOM 0 HB3 LYS A 43 -19.356 -7.918 -13.519 1.00 21.23 H new ATOM 0 HG2 LYS A 43 -17.313 -7.075 -14.690 1.00 41.33 H new ATOM 0 HG3 LYS A 43 -17.800 -7.947 -16.130 1.00 41.33 H new ATOM 0 HD2 LYS A 43 -20.065 -6.633 -15.866 1.00 21.40 H new ATOM 0 HD3 LYS A 43 -19.140 -5.572 -14.822 1.00 21.40 H new ATOM 0 HE2 LYS A 43 -18.958 -4.574 -16.956 1.00 24.23 H new ATOM 0 HE3 LYS A 43 -17.429 -5.404 -16.744 1.00 24.23 H new ATOM 0 HZ1 LYS A 43 -18.503 -5.737 -18.946 1.00 54.01 H new ATOM 0 HZ2 LYS A 43 -18.151 -7.183 -18.127 1.00 54.01 H new ATOM 0 HZ3 LYS A 43 -19.745 -6.601 -18.175 1.00 54.01 H new ATOM 662 N VAL A 44 -15.836 -9.114 -14.664 1.00 13.23 N ATOM 663 CA VAL A 44 -14.663 -9.247 -15.518 1.00 65.42 C ATOM 664 C VAL A 44 -14.014 -10.617 -15.351 1.00 73.13 C ATOM 665 O VAL A 44 -13.360 -11.120 -16.264 1.00 23.32 O ATOM 666 CB VAL A 44 -13.619 -8.157 -15.212 1.00 44.14 C ATOM 667 CG1 VAL A 44 -12.645 -8.634 -14.146 1.00 2.23 C ATOM 668 CG2 VAL A 44 -12.879 -7.757 -16.480 1.00 74.04 C ATOM 0 H VAL A 44 -15.740 -8.422 -13.921 1.00 13.23 H new ATOM 0 HA VAL A 44 -15.006 -9.133 -16.546 1.00 65.42 H new ATOM 0 HB VAL A 44 -14.139 -7.279 -14.829 1.00 44.14 H new ATOM 0 HG11 VAL A 44 -11.915 -7.850 -13.943 1.00 2.23 H new ATOM 0 HG12 VAL A 44 -13.191 -8.866 -13.232 1.00 2.23 H new ATOM 0 HG13 VAL A 44 -12.130 -9.528 -14.498 1.00 2.23 H new ATOM 0 HG21 VAL A 44 -12.145 -6.986 -16.245 1.00 74.04 H new ATOM 0 HG22 VAL A 44 -12.371 -8.628 -16.895 1.00 74.04 H new ATOM 0 HG23 VAL A 44 -13.590 -7.371 -17.210 1.00 74.04 H new ATOM 678 N MET A 45 -14.202 -11.216 -14.180 1.00 3.54 N ATOM 679 CA MET A 45 -13.636 -12.529 -13.894 1.00 13.03 C ATOM 680 C MET A 45 -14.128 -13.564 -14.901 1.00 14.33 C ATOM 681 O MET A 45 -13.365 -14.418 -15.350 1.00 65.21 O ATOM 682 CB MET A 45 -14.002 -12.967 -12.474 1.00 72.43 C ATOM 683 CG MET A 45 -13.575 -11.977 -11.403 1.00 62.12 C ATOM 684 SD MET A 45 -12.070 -12.484 -10.550 1.00 4.15 S ATOM 685 CE MET A 45 -11.009 -12.878 -11.938 1.00 51.31 C ATOM 0 H MET A 45 -14.742 -10.813 -13.414 1.00 3.54 H new ATOM 0 HA MET A 45 -12.552 -12.456 -13.976 1.00 13.03 H new ATOM 0 HB2 MET A 45 -15.081 -13.112 -12.414 1.00 72.43 H new ATOM 0 HB3 MET A 45 -13.539 -13.932 -12.270 1.00 72.43 H new ATOM 0 HG2 MET A 45 -13.418 -11.000 -11.859 1.00 62.12 H new ATOM 0 HG3 MET A 45 -14.380 -11.864 -10.676 1.00 62.12 H new ATOM 0 HE1 MET A 45 -10.021 -13.158 -11.573 1.00 51.31 H new ATOM 0 HE2 MET A 45 -11.437 -13.709 -12.499 1.00 51.31 H new ATOM 0 HE3 MET A 45 -10.923 -12.008 -12.588 1.00 51.31 H new ATOM 695 N ARG A 46 -15.408 -13.481 -15.250 1.00 42.34 N ATOM 696 CA ARG A 46 -16.001 -14.411 -16.203 1.00 74.10 C ATOM 697 C ARG A 46 -15.282 -14.346 -17.547 1.00 22.10 C ATOM 698 O ARG A 46 -15.015 -15.374 -18.169 1.00 43.54 O ATOM 699 CB ARG A 46 -17.487 -14.101 -16.393 1.00 34.33 C ATOM 700 CG ARG A 46 -18.267 -14.034 -15.089 1.00 44.44 C ATOM 701 CD ARG A 46 -19.766 -14.112 -15.332 1.00 22.31 C ATOM 702 NE ARG A 46 -20.529 -13.956 -14.097 1.00 10.53 N ATOM 703 CZ ARG A 46 -21.825 -13.666 -14.065 1.00 72.43 C ATOM 704 NH1 ARG A 46 -22.499 -13.504 -15.196 1.00 10.24 N ATOM 705 NH2 ARG A 46 -22.450 -13.540 -12.902 1.00 0.14 N ATOM 0 H ARG A 46 -16.054 -12.780 -14.887 1.00 42.34 H new ATOM 0 HA ARG A 46 -15.895 -15.419 -15.802 1.00 74.10 H new ATOM 0 HB2 ARG A 46 -17.587 -13.150 -16.916 1.00 34.33 H new ATOM 0 HB3 ARG A 46 -17.930 -14.864 -17.033 1.00 34.33 H new ATOM 0 HG2 ARG A 46 -17.960 -14.852 -14.438 1.00 44.44 H new ATOM 0 HG3 ARG A 46 -18.029 -13.106 -14.569 1.00 44.44 H new ATOM 0 HD2 ARG A 46 -20.059 -13.337 -16.040 1.00 22.31 H new ATOM 0 HD3 ARG A 46 -20.010 -15.071 -15.790 1.00 22.31 H new ATOM 0 HE ARG A 46 -20.040 -14.076 -13.210 1.00 10.53 H new ATOM 0 HH11 ARG A 46 -22.022 -13.602 -16.092 1.00 10.24 H new ATOM 0 HH12 ARG A 46 -23.494 -13.281 -15.169 1.00 10.24 H new ATOM 0 HH21 ARG A 46 -21.936 -13.666 -12.030 1.00 0.14 H new ATOM 0 HH22 ARG A 46 -23.445 -13.317 -12.879 1.00 0.14 H new ATOM 719 N MET A 47 -14.972 -13.131 -17.988 1.00 65.41 N ATOM 720 CA MET A 47 -14.282 -12.933 -19.258 1.00 14.22 C ATOM 721 C MET A 47 -12.866 -13.496 -19.202 1.00 30.24 C ATOM 722 O MET A 47 -12.317 -13.926 -20.217 1.00 72.12 O ATOM 723 CB MET A 47 -14.238 -11.445 -19.611 1.00 52.14 C ATOM 724 CG MET A 47 -15.607 -10.784 -19.631 1.00 20.03 C ATOM 725 SD MET A 47 -16.674 -11.435 -20.930 1.00 52.21 S ATOM 726 CE MET A 47 -15.928 -10.698 -22.382 1.00 63.00 C ATOM 0 H MET A 47 -15.187 -12.270 -17.486 1.00 65.41 H new ATOM 0 HA MET A 47 -14.835 -13.467 -20.031 1.00 14.22 H new ATOM 0 HB2 MET A 47 -13.604 -10.928 -18.891 1.00 52.14 H new ATOM 0 HB3 MET A 47 -13.772 -11.326 -20.589 1.00 52.14 H new ATOM 0 HG2 MET A 47 -16.089 -10.927 -18.664 1.00 20.03 H new ATOM 0 HG3 MET A 47 -15.485 -9.710 -19.770 1.00 20.03 H new ATOM 0 HE1 MET A 47 -16.591 -10.828 -23.237 1.00 63.00 H new ATOM 0 HE2 MET A 47 -15.765 -9.635 -22.207 1.00 63.00 H new ATOM 0 HE3 MET A 47 -14.973 -11.183 -22.586 1.00 63.00 H new ATOM 736 N LEU A 48 -12.279 -13.491 -18.010 1.00 30.10 N ATOM 737 CA LEU A 48 -10.926 -14.002 -17.822 1.00 5.34 C ATOM 738 C LEU A 48 -10.903 -15.525 -17.896 1.00 61.02 C ATOM 739 O LEU A 48 -9.877 -16.126 -18.213 1.00 32.15 O ATOM 740 CB LEU A 48 -10.367 -13.537 -16.475 1.00 62.35 C ATOM 741 CG LEU A 48 -9.499 -12.278 -16.507 1.00 74.51 C ATOM 742 CD1 LEU A 48 -10.211 -11.158 -17.249 1.00 74.11 C ATOM 743 CD2 LEU A 48 -9.142 -11.842 -15.094 1.00 3.31 C ATOM 0 H LEU A 48 -12.719 -13.139 -17.160 1.00 30.10 H new ATOM 0 HA LEU A 48 -10.301 -13.609 -18.624 1.00 5.34 H new ATOM 0 HB2 LEU A 48 -11.203 -13.360 -15.799 1.00 62.35 H new ATOM 0 HB3 LEU A 48 -9.778 -14.349 -16.049 1.00 62.35 H new ATOM 0 HG LEU A 48 -8.576 -12.509 -17.039 1.00 74.51 H new ATOM 0 HD11 LEU A 48 -9.579 -10.270 -17.262 1.00 74.11 H new ATOM 0 HD12 LEU A 48 -10.416 -11.472 -18.272 1.00 74.11 H new ATOM 0 HD13 LEU A 48 -11.150 -10.927 -16.746 1.00 74.11 H new ATOM 0 HD21 LEU A 48 -8.524 -10.945 -15.135 1.00 3.31 H new ATOM 0 HD22 LEU A 48 -10.055 -11.629 -14.537 1.00 3.31 H new ATOM 0 HD23 LEU A 48 -8.591 -12.639 -14.595 1.00 3.31 H new ATOM 755 N GLY A 49 -12.043 -16.144 -17.604 1.00 51.14 N ATOM 756 CA GLY A 49 -12.133 -17.592 -17.646 1.00 50.33 C ATOM 757 C GLY A 49 -12.372 -18.198 -16.278 1.00 12.44 C ATOM 758 O GLY A 49 -12.279 -19.413 -16.105 1.00 41.54 O ATOM 0 H GLY A 49 -12.906 -15.669 -17.339 1.00 51.14 H new ATOM 0 HA2 GLY A 49 -12.942 -17.883 -18.315 1.00 50.33 H new ATOM 0 HA3 GLY A 49 -11.212 -17.998 -18.064 1.00 50.33 H new ATOM 762 N GLN A 50 -12.680 -17.349 -15.302 1.00 4.10 N ATOM 763 CA GLN A 50 -12.930 -17.808 -13.941 1.00 71.51 C ATOM 764 C GLN A 50 -14.197 -17.174 -13.377 1.00 3.44 C ATOM 765 O GLN A 50 -14.604 -16.093 -13.802 1.00 23.51 O ATOM 766 CB GLN A 50 -11.737 -17.481 -13.042 1.00 2.12 C ATOM 767 CG GLN A 50 -10.454 -18.187 -13.451 1.00 54.04 C ATOM 768 CD GLN A 50 -9.237 -17.655 -12.722 1.00 44.54 C ATOM 769 OE1 GLN A 50 -8.256 -17.246 -13.345 1.00 25.35 O ATOM 770 NE2 GLN A 50 -9.293 -17.656 -11.396 1.00 11.33 N ATOM 0 H GLN A 50 -12.762 -16.340 -15.429 1.00 4.10 H new ATOM 0 HA GLN A 50 -13.068 -18.889 -13.969 1.00 71.51 H new ATOM 0 HB2 GLN A 50 -11.569 -16.404 -13.054 1.00 2.12 H new ATOM 0 HB3 GLN A 50 -11.981 -17.755 -12.015 1.00 2.12 H new ATOM 0 HG2 GLN A 50 -10.553 -19.255 -13.254 1.00 54.04 H new ATOM 0 HG3 GLN A 50 -10.308 -18.073 -14.525 1.00 54.04 H new ATOM 0 HE21 GLN A 50 -10.126 -18.004 -10.921 1.00 11.33 H new ATOM 0 HE22 GLN A 50 -8.503 -17.309 -10.852 1.00 11.33 H new ATOM 779 N ASN A 51 -14.816 -17.853 -12.416 1.00 43.32 N ATOM 780 CA ASN A 51 -16.037 -17.355 -11.794 1.00 32.11 C ATOM 781 C ASN A 51 -16.015 -17.592 -10.287 1.00 13.41 C ATOM 782 O ASN A 51 -16.796 -18.374 -9.745 1.00 12.13 O ATOM 783 CB ASN A 51 -17.262 -18.035 -12.410 1.00 43.33 C ATOM 784 CG ASN A 51 -17.089 -19.536 -12.533 1.00 62.24 C ATOM 785 OD1 ASN A 51 -16.995 -20.022 -13.766 1.00 53.21 O flip ATOM 786 ND2 ASN A 51 -17.040 -20.251 -11.532 1.00 3.31 N flip ATOM 0 H ASN A 51 -14.492 -18.749 -12.052 1.00 43.32 H new ATOM 0 HA ASN A 51 -16.096 -16.282 -11.975 1.00 32.11 H new ATOM 0 HB2 ASN A 51 -18.138 -17.822 -11.798 1.00 43.33 H new ATOM 0 HB3 ASN A 51 -17.451 -17.612 -13.396 1.00 43.33 H new ATOM 0 HD21 ASN A 51 -17.116 -19.835 -10.604 1.00 3.31 H new ATOM 0 HD22 ASN A 51 -16.923 -21.259 -11.631 1.00 3.31 H new ATOM 793 N PRO A 52 -15.100 -16.900 -9.593 1.00 2.54 N ATOM 794 CA PRO A 52 -14.954 -17.016 -8.139 1.00 34.24 C ATOM 795 C PRO A 52 -16.131 -16.403 -7.387 1.00 40.43 C ATOM 796 O PRO A 52 -16.955 -15.698 -7.971 1.00 42.51 O ATOM 797 CB PRO A 52 -13.669 -16.238 -7.847 1.00 52.40 C ATOM 798 CG PRO A 52 -13.553 -15.264 -8.969 1.00 32.22 C ATOM 799 CD PRO A 52 -14.136 -15.949 -10.174 1.00 34.44 C ATOM 0 HA PRO A 52 -14.921 -18.056 -7.815 1.00 34.24 H new ATOM 0 HB2 PRO A 52 -13.724 -15.729 -6.885 1.00 52.40 H new ATOM 0 HB3 PRO A 52 -12.805 -16.901 -7.807 1.00 52.40 H new ATOM 0 HG2 PRO A 52 -14.092 -14.344 -8.744 1.00 32.22 H new ATOM 0 HG3 PRO A 52 -12.512 -14.990 -9.142 1.00 32.22 H new ATOM 0 HD2 PRO A 52 -14.624 -15.240 -10.842 1.00 34.44 H new ATOM 0 HD3 PRO A 52 -13.369 -16.460 -10.756 1.00 34.44 H new ATOM 807 N THR A 53 -16.204 -16.675 -6.088 1.00 54.40 N ATOM 808 CA THR A 53 -17.281 -16.150 -5.257 1.00 5.01 C ATOM 809 C THR A 53 -17.350 -14.630 -5.343 1.00 12.43 C ATOM 810 O THR A 53 -16.393 -13.961 -5.735 1.00 74.52 O ATOM 811 CB THR A 53 -17.104 -16.562 -3.783 1.00 72.12 C ATOM 812 OG1 THR A 53 -15.730 -16.869 -3.522 1.00 33.45 O ATOM 813 CG2 THR A 53 -17.971 -17.767 -3.451 1.00 22.40 C ATOM 0 H THR A 53 -15.530 -17.256 -5.588 1.00 54.40 H new ATOM 0 HA THR A 53 -18.210 -16.575 -5.637 1.00 5.01 H new ATOM 0 HB THR A 53 -17.414 -15.727 -3.155 1.00 72.12 H new ATOM 0 HG1 THR A 53 -15.625 -17.128 -2.583 1.00 33.45 H new ATOM 0 HG21 THR A 53 -17.830 -18.040 -2.405 1.00 22.40 H new ATOM 0 HG22 THR A 53 -19.019 -17.520 -3.623 1.00 22.40 H new ATOM 0 HG23 THR A 53 -17.687 -18.606 -4.086 1.00 22.40 H new ATOM 821 N PRO A 54 -18.508 -14.067 -4.967 1.00 34.33 N ATOM 822 CA PRO A 54 -18.730 -12.618 -4.991 1.00 63.43 C ATOM 823 C PRO A 54 -17.917 -11.890 -3.926 1.00 53.23 C ATOM 824 O PRO A 54 -17.266 -10.885 -4.210 1.00 24.42 O ATOM 825 CB PRO A 54 -20.228 -12.484 -4.707 1.00 3.45 C ATOM 826 CG PRO A 54 -20.582 -13.717 -3.951 1.00 32.44 C ATOM 827 CD PRO A 54 -19.691 -14.803 -4.488 1.00 50.32 C ATOM 0 HA PRO A 54 -18.421 -12.173 -5.937 1.00 63.43 H new ATOM 0 HB2 PRO A 54 -20.442 -11.588 -4.125 1.00 3.45 H new ATOM 0 HB3 PRO A 54 -20.801 -12.408 -5.631 1.00 3.45 H new ATOM 0 HG2 PRO A 54 -20.425 -13.577 -2.881 1.00 32.44 H new ATOM 0 HG3 PRO A 54 -21.633 -13.971 -4.089 1.00 32.44 H new ATOM 0 HD2 PRO A 54 -19.429 -15.526 -3.716 1.00 50.32 H new ATOM 0 HD3 PRO A 54 -20.173 -15.357 -5.293 1.00 50.32 H new ATOM 835 N GLU A 55 -17.961 -12.403 -2.701 1.00 31.22 N ATOM 836 CA GLU A 55 -17.228 -11.800 -1.594 1.00 15.41 C ATOM 837 C GLU A 55 -15.723 -11.884 -1.827 1.00 62.15 C ATOM 838 O GLU A 55 -14.963 -11.043 -1.349 1.00 64.13 O ATOM 839 CB GLU A 55 -17.591 -12.489 -0.277 1.00 22.31 C ATOM 840 CG GLU A 55 -19.006 -12.199 0.193 1.00 12.30 C ATOM 841 CD GLU A 55 -19.361 -10.727 0.100 1.00 73.41 C ATOM 842 OE1 GLU A 55 -18.525 -9.890 0.499 1.00 53.44 O ATOM 843 OE2 GLU A 55 -20.474 -10.414 -0.371 1.00 54.21 O ATOM 0 H GLU A 55 -18.496 -13.234 -2.450 1.00 31.22 H new ATOM 0 HA GLU A 55 -17.510 -10.749 -1.535 1.00 15.41 H new ATOM 0 HB2 GLU A 55 -17.470 -13.566 -0.395 1.00 22.31 H new ATOM 0 HB3 GLU A 55 -16.889 -12.172 0.494 1.00 22.31 H new ATOM 0 HG2 GLU A 55 -19.710 -12.777 -0.406 1.00 12.30 H new ATOM 0 HG3 GLU A 55 -19.117 -12.531 1.225 1.00 12.30 H new ATOM 850 N GLU A 56 -15.301 -12.906 -2.566 1.00 21.14 N ATOM 851 CA GLU A 56 -13.886 -13.101 -2.861 1.00 74.24 C ATOM 852 C GLU A 56 -13.308 -11.885 -3.579 1.00 23.02 C ATOM 853 O GLU A 56 -12.152 -11.517 -3.367 1.00 4.44 O ATOM 854 CB GLU A 56 -13.690 -14.354 -3.718 1.00 3.30 C ATOM 855 CG GLU A 56 -12.232 -14.734 -3.914 1.00 62.13 C ATOM 856 CD GLU A 56 -12.061 -16.160 -4.400 1.00 73.31 C ATOM 857 OE1 GLU A 56 -12.874 -17.023 -4.007 1.00 2.14 O ATOM 858 OE2 GLU A 56 -11.115 -16.413 -5.175 1.00 24.45 O ATOM 0 H GLU A 56 -15.918 -13.610 -2.971 1.00 21.14 H new ATOM 0 HA GLU A 56 -13.358 -13.229 -1.916 1.00 74.24 H new ATOM 0 HB2 GLU A 56 -14.215 -15.188 -3.253 1.00 3.30 H new ATOM 0 HB3 GLU A 56 -14.149 -14.193 -4.693 1.00 3.30 H new ATOM 0 HG2 GLU A 56 -11.776 -14.052 -4.632 1.00 62.13 H new ATOM 0 HG3 GLU A 56 -11.698 -14.609 -2.972 1.00 62.13 H new ATOM 865 N LEU A 57 -14.119 -11.266 -4.429 1.00 50.11 N ATOM 866 CA LEU A 57 -13.689 -10.091 -5.179 1.00 41.03 C ATOM 867 C LEU A 57 -13.085 -9.043 -4.250 1.00 51.33 C ATOM 868 O LEU A 57 -11.951 -8.607 -4.446 1.00 1.13 O ATOM 869 CB LEU A 57 -14.869 -9.491 -5.946 1.00 1.33 C ATOM 870 CG LEU A 57 -15.171 -10.115 -7.309 1.00 11.53 C ATOM 871 CD1 LEU A 57 -13.968 -9.991 -8.231 1.00 20.23 C ATOM 872 CD2 LEU A 57 -15.576 -11.573 -7.150 1.00 14.42 C ATOM 0 H LEU A 57 -15.078 -11.558 -4.616 1.00 50.11 H new ATOM 0 HA LEU A 57 -12.924 -10.404 -5.889 1.00 41.03 H new ATOM 0 HB2 LEU A 57 -15.761 -9.575 -5.325 1.00 1.33 H new ATOM 0 HB3 LEU A 57 -14.680 -8.427 -6.090 1.00 1.33 H new ATOM 0 HG LEU A 57 -16.004 -9.575 -7.758 1.00 11.53 H new ATOM 0 HD11 LEU A 57 -14.201 -10.441 -9.196 1.00 20.23 H new ATOM 0 HD12 LEU A 57 -13.724 -8.938 -8.371 1.00 20.23 H new ATOM 0 HD13 LEU A 57 -13.115 -10.506 -7.788 1.00 20.23 H new ATOM 0 HD21 LEU A 57 -15.787 -12.001 -8.130 1.00 14.42 H new ATOM 0 HD22 LEU A 57 -14.764 -12.127 -6.680 1.00 14.42 H new ATOM 0 HD23 LEU A 57 -16.468 -11.637 -6.526 1.00 14.42 H new ATOM 884 N GLN A 58 -13.850 -8.645 -3.239 1.00 51.40 N ATOM 885 CA GLN A 58 -13.389 -7.649 -2.279 1.00 52.41 C ATOM 886 C GLN A 58 -12.196 -8.169 -1.485 1.00 32.54 C ATOM 887 O GLN A 58 -11.390 -7.391 -0.976 1.00 71.13 O ATOM 888 CB GLN A 58 -14.523 -7.265 -1.327 1.00 1.44 C ATOM 889 CG GLN A 58 -14.060 -6.457 -0.125 1.00 14.13 C ATOM 890 CD GLN A 58 -13.458 -5.122 -0.516 1.00 3.15 C ATOM 891 OE1 GLN A 58 -14.112 -4.294 -1.150 1.00 14.14 O ATOM 892 NE2 GLN A 58 -12.203 -4.905 -0.138 1.00 71.32 N ATOM 0 H GLN A 58 -14.791 -8.997 -3.063 1.00 51.40 H new ATOM 0 HA GLN A 58 -13.075 -6.765 -2.833 1.00 52.41 H new ATOM 0 HB2 GLN A 58 -15.268 -6.689 -1.876 1.00 1.44 H new ATOM 0 HB3 GLN A 58 -15.015 -8.172 -0.977 1.00 1.44 H new ATOM 0 HG2 GLN A 58 -14.905 -6.289 0.542 1.00 14.13 H new ATOM 0 HG3 GLN A 58 -13.323 -7.034 0.434 1.00 14.13 H new ATOM 0 HE21 GLN A 58 -11.698 -5.619 0.386 1.00 71.32 H new ATOM 0 HE22 GLN A 58 -11.745 -4.024 -0.372 1.00 71.32 H new ATOM 901 N GLU A 59 -12.091 -9.491 -1.382 1.00 11.21 N ATOM 902 CA GLU A 59 -10.996 -10.115 -0.648 1.00 14.42 C ATOM 903 C GLU A 59 -9.648 -9.725 -1.247 1.00 10.14 C ATOM 904 O GLU A 59 -8.757 -9.254 -0.541 1.00 24.11 O ATOM 905 CB GLU A 59 -11.150 -11.637 -0.656 1.00 3.00 C ATOM 906 CG GLU A 59 -10.586 -12.312 0.583 1.00 61.10 C ATOM 907 CD GLU A 59 -11.259 -11.846 1.859 1.00 13.20 C ATOM 908 OE1 GLU A 59 -12.413 -12.256 2.104 1.00 55.41 O ATOM 909 OE2 GLU A 59 -10.633 -11.071 2.612 1.00 32.43 O ATOM 0 H GLU A 59 -12.750 -10.149 -1.797 1.00 11.21 H new ATOM 0 HA GLU A 59 -11.033 -9.759 0.382 1.00 14.42 H new ATOM 0 HB2 GLU A 59 -12.207 -11.886 -0.746 1.00 3.00 H new ATOM 0 HB3 GLU A 59 -10.651 -12.040 -1.538 1.00 3.00 H new ATOM 0 HG2 GLU A 59 -10.702 -13.392 0.489 1.00 61.10 H new ATOM 0 HG3 GLU A 59 -9.517 -12.111 0.647 1.00 61.10 H new ATOM 916 N MET A 60 -9.507 -9.926 -2.553 1.00 11.42 N ATOM 917 CA MET A 60 -8.268 -9.595 -3.247 1.00 51.22 C ATOM 918 C MET A 60 -8.061 -8.085 -3.299 1.00 44.52 C ATOM 919 O MET A 60 -6.927 -7.605 -3.312 1.00 4.21 O ATOM 920 CB MET A 60 -8.284 -10.168 -4.665 1.00 74.34 C ATOM 921 CG MET A 60 -7.786 -11.602 -4.747 1.00 1.00 C ATOM 922 SD MET A 60 -9.049 -12.804 -4.288 1.00 53.21 S ATOM 923 CE MET A 60 -8.076 -13.976 -3.347 1.00 4.02 C ATOM 0 H MET A 60 -10.235 -10.316 -3.152 1.00 11.42 H new ATOM 0 HA MET A 60 -7.441 -10.039 -2.693 1.00 51.22 H new ATOM 0 HB2 MET A 60 -9.301 -10.122 -5.055 1.00 74.34 H new ATOM 0 HB3 MET A 60 -7.667 -9.541 -5.309 1.00 74.34 H new ATOM 0 HG2 MET A 60 -7.447 -11.807 -5.762 1.00 1.00 H new ATOM 0 HG3 MET A 60 -6.922 -11.720 -4.093 1.00 1.00 H new ATOM 0 HE1 MET A 60 -8.719 -14.782 -2.994 1.00 4.02 H new ATOM 0 HE2 MET A 60 -7.291 -14.389 -3.981 1.00 4.02 H new ATOM 0 HE3 MET A 60 -7.624 -13.471 -2.493 1.00 4.02 H new ATOM 933 N ILE A 61 -9.162 -7.341 -3.329 1.00 64.35 N ATOM 934 CA ILE A 61 -9.099 -5.886 -3.379 1.00 50.13 C ATOM 935 C ILE A 61 -8.631 -5.310 -2.047 1.00 52.21 C ATOM 936 O ILE A 61 -8.118 -4.192 -1.988 1.00 62.44 O ATOM 937 CB ILE A 61 -10.467 -5.276 -3.738 1.00 2.52 C ATOM 938 CG1 ILE A 61 -10.869 -5.670 -5.160 1.00 61.43 C ATOM 939 CG2 ILE A 61 -10.425 -3.762 -3.594 1.00 52.52 C ATOM 940 CD1 ILE A 61 -12.236 -5.165 -5.564 1.00 51.41 C ATOM 0 H ILE A 61 -10.108 -7.722 -3.320 1.00 64.35 H new ATOM 0 HA ILE A 61 -8.380 -5.627 -4.156 1.00 50.13 H new ATOM 0 HB ILE A 61 -11.215 -5.667 -3.048 1.00 2.52 H new ATOM 0 HG12 ILE A 61 -10.127 -5.284 -5.859 1.00 61.43 H new ATOM 0 HG13 ILE A 61 -10.852 -6.757 -5.246 1.00 61.43 H new ATOM 0 HG21 ILE A 61 -11.399 -3.345 -3.851 1.00 52.52 H new ATOM 0 HG22 ILE A 61 -10.179 -3.501 -2.565 1.00 52.52 H new ATOM 0 HG23 ILE A 61 -9.667 -3.354 -4.263 1.00 52.52 H new ATOM 0 HD11 ILE A 61 -12.454 -5.482 -6.584 1.00 51.41 H new ATOM 0 HD12 ILE A 61 -12.988 -5.572 -4.889 1.00 51.41 H new ATOM 0 HD13 ILE A 61 -12.252 -4.076 -5.511 1.00 51.41 H new ATOM 952 N ASP A 62 -8.811 -6.081 -0.980 1.00 43.51 N ATOM 953 CA ASP A 62 -8.404 -5.649 0.352 1.00 13.51 C ATOM 954 C ASP A 62 -6.887 -5.514 0.441 1.00 73.24 C ATOM 955 O ASP A 62 -6.371 -4.493 0.893 1.00 41.14 O ATOM 956 CB ASP A 62 -8.904 -6.637 1.407 1.00 64.54 C ATOM 957 CG ASP A 62 -8.819 -6.077 2.813 1.00 44.35 C ATOM 958 OD1 ASP A 62 -8.905 -4.840 2.965 1.00 44.14 O ATOM 959 OD2 ASP A 62 -8.667 -6.875 3.761 1.00 41.51 O ATOM 0 H ASP A 62 -9.236 -7.008 -1.012 1.00 43.51 H new ATOM 0 HA ASP A 62 -8.848 -4.672 0.541 1.00 13.51 H new ATOM 0 HB2 ASP A 62 -9.938 -6.905 1.188 1.00 64.54 H new ATOM 0 HB3 ASP A 62 -8.317 -7.554 1.348 1.00 64.54 H new ATOM 964 N GLU A 63 -6.180 -6.553 0.007 1.00 41.10 N ATOM 965 CA GLU A 63 -4.722 -6.551 0.040 1.00 51.44 C ATOM 966 C GLU A 63 -4.156 -5.593 -1.005 1.00 70.22 C ATOM 967 O GLU A 63 -3.023 -5.127 -0.888 1.00 25.55 O ATOM 968 CB GLU A 63 -4.182 -7.962 -0.200 1.00 72.03 C ATOM 969 CG GLU A 63 -3.438 -8.540 0.992 1.00 45.44 C ATOM 970 CD GLU A 63 -2.464 -9.633 0.597 1.00 4.21 C ATOM 971 OE1 GLU A 63 -1.420 -9.309 -0.006 1.00 44.33 O ATOM 972 OE2 GLU A 63 -2.746 -10.813 0.893 1.00 40.05 O ATOM 0 H GLU A 63 -6.593 -7.406 -0.371 1.00 41.10 H new ATOM 0 HA GLU A 63 -4.407 -6.213 1.027 1.00 51.44 H new ATOM 0 HB2 GLU A 63 -5.012 -8.621 -0.454 1.00 72.03 H new ATOM 0 HB3 GLU A 63 -3.514 -7.945 -1.061 1.00 72.03 H new ATOM 0 HG2 GLU A 63 -2.896 -7.742 1.499 1.00 45.44 H new ATOM 0 HG3 GLU A 63 -4.158 -8.940 1.706 1.00 45.44 H new ATOM 979 N VAL A 64 -4.954 -5.304 -2.028 1.00 61.35 N ATOM 980 CA VAL A 64 -4.534 -4.402 -3.094 1.00 60.54 C ATOM 981 C VAL A 64 -4.708 -2.945 -2.682 1.00 22.23 C ATOM 982 O VAL A 64 -3.775 -2.148 -2.774 1.00 4.40 O ATOM 983 CB VAL A 64 -5.328 -4.656 -4.390 1.00 32.15 C ATOM 984 CG1 VAL A 64 -4.976 -3.618 -5.444 1.00 65.32 C ATOM 985 CG2 VAL A 64 -5.069 -6.063 -4.906 1.00 65.14 C ATOM 0 H VAL A 64 -5.895 -5.681 -2.141 1.00 61.35 H new ATOM 0 HA VAL A 64 -3.478 -4.601 -3.278 1.00 60.54 H new ATOM 0 HB VAL A 64 -6.391 -4.566 -4.168 1.00 32.15 H new ATOM 0 HG11 VAL A 64 -5.546 -3.814 -6.352 1.00 65.32 H new ATOM 0 HG12 VAL A 64 -5.219 -2.623 -5.070 1.00 65.32 H new ATOM 0 HG13 VAL A 64 -3.910 -3.672 -5.666 1.00 65.32 H new ATOM 0 HG21 VAL A 64 -5.638 -6.225 -5.822 1.00 65.14 H new ATOM 0 HG22 VAL A 64 -4.006 -6.185 -5.113 1.00 65.14 H new ATOM 0 HG23 VAL A 64 -5.378 -6.789 -4.154 1.00 65.14 H new ATOM 995 N ASP A 65 -5.908 -2.605 -2.226 1.00 12.51 N ATOM 996 CA ASP A 65 -6.205 -1.243 -1.797 1.00 1.31 C ATOM 997 C ASP A 65 -5.352 -0.854 -0.593 1.00 71.21 C ATOM 998 O ASP A 65 -5.586 -1.321 0.521 1.00 21.01 O ATOM 999 CB ASP A 65 -7.689 -1.106 -1.452 1.00 4.22 C ATOM 1000 CG ASP A 65 -8.219 0.289 -1.721 1.00 32.34 C ATOM 1001 OD1 ASP A 65 -7.402 1.230 -1.800 1.00 22.11 O ATOM 1002 OD2 ASP A 65 -9.452 0.439 -1.852 1.00 63.15 O ATOM 0 H ASP A 65 -6.691 -3.253 -2.144 1.00 12.51 H new ATOM 0 HA ASP A 65 -5.968 -0.569 -2.620 1.00 1.31 H new ATOM 0 HB2 ASP A 65 -8.262 -1.828 -2.033 1.00 4.22 H new ATOM 0 HB3 ASP A 65 -7.839 -1.352 -0.401 1.00 4.22 H new ATOM 1007 N GLU A 66 -4.362 0.002 -0.827 1.00 33.00 N ATOM 1008 CA GLU A 66 -3.474 0.451 0.239 1.00 61.14 C ATOM 1009 C GLU A 66 -4.220 1.337 1.232 1.00 41.43 C ATOM 1010 O GLU A 66 -3.884 1.381 2.415 1.00 20.13 O ATOM 1011 CB GLU A 66 -2.283 1.213 -0.347 1.00 60.41 C ATOM 1012 CG GLU A 66 -2.671 2.503 -1.050 1.00 35.44 C ATOM 1013 CD GLU A 66 -1.469 3.279 -1.551 1.00 72.31 C ATOM 1014 OE1 GLU A 66 -0.869 4.027 -0.751 1.00 75.13 O ATOM 1015 OE2 GLU A 66 -1.128 3.137 -2.744 1.00 51.22 O ATOM 0 H GLU A 66 -4.155 0.398 -1.744 1.00 33.00 H new ATOM 0 HA GLU A 66 -3.109 -0.429 0.768 1.00 61.14 H new ATOM 0 HB2 GLU A 66 -1.580 1.443 0.454 1.00 60.41 H new ATOM 0 HB3 GLU A 66 -1.761 0.567 -1.053 1.00 60.41 H new ATOM 0 HG2 GLU A 66 -3.325 2.272 -1.890 1.00 35.44 H new ATOM 0 HG3 GLU A 66 -3.242 3.128 -0.364 1.00 35.44 H new ATOM 1022 N ASP A 67 -5.233 2.043 0.741 1.00 60.31 N ATOM 1023 CA ASP A 67 -6.028 2.928 1.584 1.00 4.21 C ATOM 1024 C ASP A 67 -7.306 2.236 2.046 1.00 21.35 C ATOM 1025 O ASP A 67 -8.039 2.759 2.885 1.00 23.50 O ATOM 1026 CB ASP A 67 -6.373 4.212 0.829 1.00 52.44 C ATOM 1027 CG ASP A 67 -6.851 3.942 -0.585 1.00 4.14 C ATOM 1028 OD1 ASP A 67 -8.017 3.526 -0.748 1.00 21.31 O ATOM 1029 OD2 ASP A 67 -6.058 4.148 -1.528 1.00 34.44 O ATOM 0 H ASP A 67 -5.523 2.019 -0.237 1.00 60.31 H new ATOM 0 HA ASP A 67 -5.435 3.181 2.463 1.00 4.21 H new ATOM 0 HB2 ASP A 67 -7.146 4.754 1.374 1.00 52.44 H new ATOM 0 HB3 ASP A 67 -5.495 4.857 0.796 1.00 52.44 H new ATOM 1034 N GLY A 68 -7.568 1.056 1.492 1.00 24.33 N ATOM 1035 CA GLY A 68 -8.758 0.312 1.859 1.00 32.42 C ATOM 1036 C GLY A 68 -10.031 1.101 1.625 1.00 43.30 C ATOM 1037 O GLY A 68 -10.942 1.082 2.452 1.00 12.40 O ATOM 0 H GLY A 68 -6.977 0.602 0.795 1.00 24.33 H new ATOM 0 HA2 GLY A 68 -8.796 -0.613 1.283 1.00 32.42 H new ATOM 0 HA3 GLY A 68 -8.697 0.031 2.910 1.00 32.42 H new ATOM 1041 N SER A 69 -10.093 1.799 0.495 1.00 2.14 N ATOM 1042 CA SER A 69 -11.261 2.604 0.157 1.00 21.22 C ATOM 1043 C SER A 69 -12.412 1.720 -0.312 1.00 73.32 C ATOM 1044 O SER A 69 -13.580 2.086 -0.190 1.00 35.52 O ATOM 1045 CB SER A 69 -10.908 3.621 -0.930 1.00 13.35 C ATOM 1046 OG SER A 69 -10.248 2.998 -2.017 1.00 25.40 O ATOM 0 H SER A 69 -9.348 1.823 -0.202 1.00 2.14 H new ATOM 0 HA SER A 69 -11.577 3.137 1.054 1.00 21.22 H new ATOM 0 HB2 SER A 69 -11.816 4.110 -1.284 1.00 13.35 H new ATOM 0 HB3 SER A 69 -10.270 4.399 -0.511 1.00 13.35 H new ATOM 1052 N GLY A 70 -12.072 0.552 -0.851 1.00 15.42 N ATOM 1053 CA GLY A 70 -13.088 -0.367 -1.331 1.00 2.40 C ATOM 1054 C GLY A 70 -13.221 -0.346 -2.841 1.00 11.12 C ATOM 1055 O GLY A 70 -14.213 -0.826 -3.391 1.00 42.53 O ATOM 0 H GLY A 70 -11.112 0.226 -0.964 1.00 15.42 H new ATOM 0 HA2 GLY A 70 -12.843 -1.378 -1.005 1.00 2.40 H new ATOM 0 HA3 GLY A 70 -14.047 -0.111 -0.881 1.00 2.40 H new ATOM 1059 N THR A 71 -12.220 0.213 -3.514 1.00 72.22 N ATOM 1060 CA THR A 71 -12.231 0.297 -4.969 1.00 61.12 C ATOM 1061 C THR A 71 -10.813 0.329 -5.528 1.00 72.55 C ATOM 1062 O THR A 71 -9.887 0.805 -4.873 1.00 3.13 O ATOM 1063 CB THR A 71 -12.990 1.546 -5.454 1.00 41.41 C ATOM 1064 OG1 THR A 71 -12.893 2.589 -4.477 1.00 23.40 O ATOM 1065 CG2 THR A 71 -14.453 1.223 -5.715 1.00 14.44 C ATOM 0 H THR A 71 -11.392 0.614 -3.074 1.00 72.22 H new ATOM 0 HA THR A 71 -12.743 -0.594 -5.333 1.00 61.12 H new ATOM 0 HB THR A 71 -12.536 1.880 -6.387 1.00 41.41 H new ATOM 0 HG1 THR A 71 -13.377 3.380 -4.794 1.00 23.40 H new ATOM 0 HG21 THR A 71 -14.968 2.121 -6.057 1.00 14.44 H new ATOM 0 HG22 THR A 71 -14.524 0.450 -6.480 1.00 14.44 H new ATOM 0 HG23 THR A 71 -14.917 0.866 -4.795 1.00 14.44 H new ATOM 1073 N VAL A 72 -10.650 -0.182 -6.745 1.00 54.42 N ATOM 1074 CA VAL A 72 -9.345 -0.210 -7.394 1.00 0.11 C ATOM 1075 C VAL A 72 -9.207 0.926 -8.401 1.00 73.15 C ATOM 1076 O VAL A 72 -10.048 1.091 -9.285 1.00 71.45 O ATOM 1077 CB VAL A 72 -9.104 -1.551 -8.112 1.00 53.14 C ATOM 1078 CG1 VAL A 72 -8.041 -1.396 -9.190 1.00 34.55 C ATOM 1079 CG2 VAL A 72 -8.709 -2.627 -7.113 1.00 34.24 C ATOM 0 H VAL A 72 -11.406 -0.582 -7.301 1.00 54.42 H new ATOM 0 HA VAL A 72 -8.599 -0.088 -6.609 1.00 0.11 H new ATOM 0 HB VAL A 72 -10.033 -1.858 -8.593 1.00 53.14 H new ATOM 0 HG11 VAL A 72 -7.884 -2.354 -9.687 1.00 34.55 H new ATOM 0 HG12 VAL A 72 -8.369 -0.658 -9.921 1.00 34.55 H new ATOM 0 HG13 VAL A 72 -7.107 -1.066 -8.735 1.00 34.55 H new ATOM 0 HG21 VAL A 72 -8.543 -3.568 -7.638 1.00 34.24 H new ATOM 0 HG22 VAL A 72 -7.793 -2.330 -6.602 1.00 34.24 H new ATOM 0 HG23 VAL A 72 -9.507 -2.756 -6.382 1.00 34.24 H new ATOM 1089 N ASP A 73 -8.141 1.707 -8.262 1.00 75.44 N ATOM 1090 CA ASP A 73 -7.892 2.827 -9.162 1.00 2.02 C ATOM 1091 C ASP A 73 -6.897 2.439 -10.251 1.00 24.53 C ATOM 1092 O ASP A 73 -6.558 1.265 -10.407 1.00 3.24 O ATOM 1093 CB ASP A 73 -7.365 4.030 -8.378 1.00 52.20 C ATOM 1094 CG ASP A 73 -8.228 4.361 -7.176 1.00 21.31 C ATOM 1095 OD1 ASP A 73 -9.454 4.521 -7.352 1.00 5.40 O ATOM 1096 OD2 ASP A 73 -7.677 4.460 -6.059 1.00 72.42 O ATOM 0 H ASP A 73 -7.436 1.585 -7.535 1.00 75.44 H new ATOM 0 HA ASP A 73 -8.835 3.096 -9.637 1.00 2.02 H new ATOM 0 HB2 ASP A 73 -6.347 3.826 -8.046 1.00 52.20 H new ATOM 0 HB3 ASP A 73 -7.317 4.897 -9.037 1.00 52.20 H new ATOM 1101 N PHE A 74 -6.433 3.431 -11.003 1.00 5.25 N ATOM 1102 CA PHE A 74 -5.478 3.193 -12.079 1.00 2.12 C ATOM 1103 C PHE A 74 -4.178 2.609 -11.533 1.00 71.44 C ATOM 1104 O PHE A 74 -3.588 1.710 -12.134 1.00 55.44 O ATOM 1105 CB PHE A 74 -5.189 4.494 -12.830 1.00 52.33 C ATOM 1106 CG PHE A 74 -4.085 4.371 -13.841 1.00 20.32 C ATOM 1107 CD1 PHE A 74 -3.930 3.208 -14.579 1.00 10.24 C ATOM 1108 CD2 PHE A 74 -3.201 5.417 -14.053 1.00 35.14 C ATOM 1109 CE1 PHE A 74 -2.915 3.091 -15.510 1.00 11.33 C ATOM 1110 CE2 PHE A 74 -2.185 5.306 -14.982 1.00 71.15 C ATOM 1111 CZ PHE A 74 -2.041 4.141 -15.711 1.00 1.30 C ATOM 0 H PHE A 74 -6.703 4.408 -10.887 1.00 5.25 H new ATOM 0 HA PHE A 74 -5.918 2.473 -12.769 1.00 2.12 H new ATOM 0 HB2 PHE A 74 -6.098 4.822 -13.335 1.00 52.33 H new ATOM 0 HB3 PHE A 74 -4.927 5.269 -12.110 1.00 52.33 H new ATOM 0 HD1 PHE A 74 -4.610 2.383 -14.425 1.00 10.24 H new ATOM 0 HD2 PHE A 74 -3.308 6.329 -13.485 1.00 35.14 H new ATOM 0 HE1 PHE A 74 -2.806 2.180 -16.079 1.00 11.33 H new ATOM 0 HE2 PHE A 74 -1.504 6.129 -15.139 1.00 71.15 H new ATOM 0 HZ PHE A 74 -1.246 4.052 -16.437 1.00 1.30 H new ATOM 1121 N ASP A 75 -3.737 3.125 -10.392 1.00 14.43 N ATOM 1122 CA ASP A 75 -2.508 2.655 -9.764 1.00 1.41 C ATOM 1123 C ASP A 75 -2.676 1.234 -9.235 1.00 54.34 C ATOM 1124 O ASP A 75 -1.893 0.344 -9.563 1.00 22.15 O ATOM 1125 CB ASP A 75 -2.102 3.592 -8.625 1.00 24.32 C ATOM 1126 CG ASP A 75 -3.268 3.947 -7.724 1.00 1.51 C ATOM 1127 OD1 ASP A 75 -4.076 4.816 -8.114 1.00 2.50 O ATOM 1128 OD2 ASP A 75 -3.373 3.356 -6.629 1.00 52.41 O ATOM 0 H ASP A 75 -4.213 3.870 -9.882 1.00 14.43 H new ATOM 0 HA ASP A 75 -1.722 2.651 -10.519 1.00 1.41 H new ATOM 0 HB2 ASP A 75 -1.319 3.120 -8.032 1.00 24.32 H new ATOM 0 HB3 ASP A 75 -1.679 4.505 -9.043 1.00 24.32 H new ATOM 1133 N GLU A 76 -3.703 1.031 -8.416 1.00 33.10 N ATOM 1134 CA GLU A 76 -3.973 -0.282 -7.841 1.00 45.20 C ATOM 1135 C GLU A 76 -4.248 -1.309 -8.935 1.00 41.04 C ATOM 1136 O GLU A 76 -3.865 -2.473 -8.819 1.00 33.22 O ATOM 1137 CB GLU A 76 -5.164 -0.209 -6.883 1.00 64.12 C ATOM 1138 CG GLU A 76 -4.817 0.375 -5.524 1.00 62.10 C ATOM 1139 CD GLU A 76 -6.020 0.974 -4.822 1.00 51.35 C ATOM 1140 OE1 GLU A 76 -7.044 0.271 -4.693 1.00 64.13 O ATOM 1141 OE2 GLU A 76 -5.937 2.148 -4.402 1.00 75.43 O ATOM 0 H GLU A 76 -4.361 1.758 -8.136 1.00 33.10 H new ATOM 0 HA GLU A 76 -3.089 -0.596 -7.286 1.00 45.20 H new ATOM 0 HB2 GLU A 76 -5.949 0.394 -7.338 1.00 64.12 H new ATOM 0 HB3 GLU A 76 -5.571 -1.211 -6.745 1.00 64.12 H new ATOM 0 HG2 GLU A 76 -4.386 -0.405 -4.897 1.00 62.10 H new ATOM 0 HG3 GLU A 76 -4.053 1.143 -5.647 1.00 62.10 H new ATOM 1148 N TRP A 77 -4.914 -0.869 -9.997 1.00 21.21 N ATOM 1149 CA TRP A 77 -5.241 -1.750 -11.112 1.00 74.13 C ATOM 1150 C TRP A 77 -3.985 -2.148 -11.879 1.00 1.20 C ATOM 1151 O TRP A 77 -3.915 -3.234 -12.456 1.00 12.03 O ATOM 1152 CB TRP A 77 -6.234 -1.066 -12.054 1.00 63.44 C ATOM 1153 CG TRP A 77 -6.695 -1.950 -13.174 1.00 15.05 C ATOM 1154 CD1 TRP A 77 -7.881 -2.624 -13.250 1.00 50.41 C ATOM 1155 CD2 TRP A 77 -5.979 -2.257 -14.375 1.00 11.24 C ATOM 1156 NE1 TRP A 77 -7.945 -3.331 -14.427 1.00 3.24 N ATOM 1157 CE2 TRP A 77 -6.791 -3.122 -15.134 1.00 42.34 C ATOM 1158 CE3 TRP A 77 -4.732 -1.884 -14.883 1.00 52.41 C ATOM 1159 CZ2 TRP A 77 -6.394 -3.618 -16.373 1.00 25.30 C ATOM 1160 CZ3 TRP A 77 -4.339 -2.378 -16.112 1.00 52.54 C ATOM 1161 CH2 TRP A 77 -5.168 -3.237 -16.847 1.00 2.44 C ATOM 0 H TRP A 77 -5.238 0.092 -10.109 1.00 21.21 H new ATOM 0 HA TRP A 77 -5.697 -2.653 -10.707 1.00 74.13 H new ATOM 0 HB2 TRP A 77 -7.100 -0.737 -11.480 1.00 63.44 H new ATOM 0 HB3 TRP A 77 -5.771 -0.173 -12.473 1.00 63.44 H new ATOM 0 HD1 TRP A 77 -8.654 -2.604 -12.496 1.00 50.41 H new ATOM 0 HE1 TRP A 77 -8.725 -3.916 -14.725 1.00 3.24 H new ATOM 0 HE3 TRP A 77 -4.087 -1.221 -14.325 1.00 52.41 H new ATOM 0 HZ2 TRP A 77 -7.031 -4.280 -16.940 1.00 25.30 H new ATOM 0 HZ3 TRP A 77 -3.376 -2.098 -16.513 1.00 52.54 H new ATOM 0 HH2 TRP A 77 -4.833 -3.605 -17.805 1.00 2.44 H new ATOM 1172 N LEU A 78 -2.994 -1.263 -11.882 1.00 20.13 N ATOM 1173 CA LEU A 78 -1.739 -1.523 -12.578 1.00 44.40 C ATOM 1174 C LEU A 78 -0.892 -2.537 -11.815 1.00 53.41 C ATOM 1175 O LEU A 78 -0.398 -3.506 -12.390 1.00 62.32 O ATOM 1176 CB LEU A 78 -0.955 -0.221 -12.760 1.00 72.41 C ATOM 1177 CG LEU A 78 -0.204 -0.070 -14.083 1.00 44.11 C ATOM 1178 CD1 LEU A 78 0.617 1.210 -14.087 1.00 45.20 C ATOM 1179 CD2 LEU A 78 0.688 -1.278 -14.331 1.00 73.14 C ATOM 0 H LEU A 78 -3.035 -0.360 -11.410 1.00 20.13 H new ATOM 0 HA LEU A 78 -1.975 -1.939 -13.558 1.00 44.40 H new ATOM 0 HB2 LEU A 78 -1.648 0.614 -12.661 1.00 72.41 H new ATOM 0 HB3 LEU A 78 -0.236 -0.136 -11.945 1.00 72.41 H new ATOM 0 HG LEU A 78 -0.935 -0.012 -14.889 1.00 44.11 H new ATOM 0 HD11 LEU A 78 1.145 1.301 -15.036 1.00 45.20 H new ATOM 0 HD12 LEU A 78 -0.044 2.067 -13.956 1.00 45.20 H new ATOM 0 HD13 LEU A 78 1.340 1.181 -13.272 1.00 45.20 H new ATOM 0 HD21 LEU A 78 1.215 -1.153 -15.277 1.00 73.14 H new ATOM 0 HD22 LEU A 78 1.412 -1.368 -13.521 1.00 73.14 H new ATOM 0 HD23 LEU A 78 0.077 -2.179 -14.372 1.00 73.14 H new ATOM 1191 N VAL A 79 -0.731 -2.307 -10.516 1.00 11.03 N ATOM 1192 CA VAL A 79 0.053 -3.202 -9.673 1.00 14.13 C ATOM 1193 C VAL A 79 -0.548 -4.603 -9.652 1.00 23.22 C ATOM 1194 O VAL A 79 0.161 -5.590 -9.453 1.00 55.24 O ATOM 1195 CB VAL A 79 0.146 -2.674 -8.229 1.00 4.02 C ATOM 1196 CG1 VAL A 79 -1.242 -2.436 -7.656 1.00 14.02 C ATOM 1197 CG2 VAL A 79 0.933 -3.642 -7.358 1.00 34.30 C ATOM 0 H VAL A 79 -1.133 -1.509 -10.024 1.00 11.03 H new ATOM 0 HA VAL A 79 1.054 -3.245 -10.102 1.00 14.13 H new ATOM 0 HB VAL A 79 0.675 -1.721 -8.243 1.00 4.02 H new ATOM 0 HG11 VAL A 79 -1.155 -2.063 -6.635 1.00 14.02 H new ATOM 0 HG12 VAL A 79 -1.767 -1.702 -8.267 1.00 14.02 H new ATOM 0 HG13 VAL A 79 -1.800 -3.372 -7.654 1.00 14.02 H new ATOM 0 HG21 VAL A 79 0.989 -3.253 -6.341 1.00 34.30 H new ATOM 0 HG22 VAL A 79 0.434 -4.611 -7.349 1.00 34.30 H new ATOM 0 HG23 VAL A 79 1.940 -3.756 -7.759 1.00 34.30 H new ATOM 1207 N MET A 80 -1.858 -4.683 -9.858 1.00 52.35 N ATOM 1208 CA MET A 80 -2.554 -5.964 -9.865 1.00 60.21 C ATOM 1209 C MET A 80 -1.972 -6.894 -10.925 1.00 43.54 C ATOM 1210 O MET A 80 -1.519 -7.995 -10.617 1.00 24.32 O ATOM 1211 CB MET A 80 -4.048 -5.756 -10.118 1.00 34.11 C ATOM 1212 CG MET A 80 -4.925 -6.151 -8.940 1.00 43.22 C ATOM 1213 SD MET A 80 -6.391 -5.112 -8.787 1.00 22.44 S ATOM 1214 CE MET A 80 -6.908 -5.001 -10.498 1.00 4.11 C ATOM 0 H MET A 80 -2.459 -3.876 -10.022 1.00 52.35 H new ATOM 0 HA MET A 80 -2.419 -6.427 -8.887 1.00 60.21 H new ATOM 0 HB2 MET A 80 -4.225 -4.707 -10.357 1.00 34.11 H new ATOM 0 HB3 MET A 80 -4.344 -6.336 -10.992 1.00 34.11 H new ATOM 0 HG2 MET A 80 -5.232 -7.191 -9.053 1.00 43.22 H new ATOM 0 HG3 MET A 80 -4.342 -6.088 -8.021 1.00 43.22 H new ATOM 0 HE1 MET A 80 -7.854 -4.463 -10.558 1.00 4.11 H new ATOM 0 HE2 MET A 80 -6.151 -4.468 -11.073 1.00 4.11 H new ATOM 0 HE3 MET A 80 -7.034 -6.004 -10.906 1.00 4.11 H new ATOM 1224 N MET A 81 -1.988 -6.442 -12.175 1.00 45.31 N ATOM 1225 CA MET A 81 -1.460 -7.233 -13.280 1.00 62.43 C ATOM 1226 C MET A 81 0.017 -7.550 -13.066 1.00 33.44 C ATOM 1227 O MET A 81 0.494 -8.617 -13.450 1.00 63.31 O ATOM 1228 CB MET A 81 -1.646 -6.489 -14.604 1.00 14.12 C ATOM 1229 CG MET A 81 -2.019 -7.397 -15.765 1.00 0.15 C ATOM 1230 SD MET A 81 -3.731 -7.956 -15.687 1.00 55.22 S ATOM 1231 CE MET A 81 -4.602 -6.394 -15.792 1.00 34.21 C ATOM 0 H MET A 81 -2.361 -5.533 -12.448 1.00 45.31 H new ATOM 0 HA MET A 81 -2.013 -8.171 -13.318 1.00 62.43 H new ATOM 0 HB2 MET A 81 -2.422 -5.733 -14.481 1.00 14.12 H new ATOM 0 HB3 MET A 81 -0.724 -5.962 -14.848 1.00 14.12 H new ATOM 0 HG2 MET A 81 -1.857 -6.866 -16.703 1.00 0.15 H new ATOM 0 HG3 MET A 81 -1.358 -8.264 -15.770 1.00 0.15 H new ATOM 0 HE1 MET A 81 -5.449 -6.495 -16.470 1.00 34.21 H new ATOM 0 HE2 MET A 81 -4.961 -6.110 -14.803 1.00 34.21 H new ATOM 0 HE3 MET A 81 -3.926 -5.625 -16.167 1.00 34.21 H new ATOM 1241 N ALA A 82 0.734 -6.617 -12.450 1.00 3.35 N ATOM 1242 CA ALA A 82 2.156 -6.798 -12.182 1.00 73.04 C ATOM 1243 C ALA A 82 2.403 -8.055 -11.355 1.00 12.44 C ATOM 1244 O ALA A 82 3.497 -8.619 -11.377 1.00 12.32 O ATOM 1245 CB ALA A 82 2.719 -5.576 -11.472 1.00 23.30 C ATOM 0 H ALA A 82 0.354 -5.727 -12.127 1.00 3.35 H new ATOM 0 HA ALA A 82 2.668 -6.917 -13.137 1.00 73.04 H new ATOM 0 HB1 ALA A 82 3.781 -5.725 -11.278 1.00 23.30 H new ATOM 0 HB2 ALA A 82 2.585 -4.696 -12.101 1.00 23.30 H new ATOM 0 HB3 ALA A 82 2.195 -5.430 -10.527 1.00 23.30 H new ATOM 1251 N ARG A 83 1.380 -8.487 -10.625 1.00 20.24 N ATOM 1252 CA ARG A 83 1.487 -9.676 -9.788 1.00 64.40 C ATOM 1253 C ARG A 83 1.725 -10.920 -10.639 1.00 65.32 C ATOM 1254 O ARG A 83 2.300 -11.904 -10.171 1.00 62.04 O ATOM 1255 CB ARG A 83 0.219 -9.853 -8.951 1.00 23.31 C ATOM 1256 CG ARG A 83 -0.877 -10.629 -9.663 1.00 21.35 C ATOM 1257 CD ARG A 83 -2.228 -10.421 -8.997 1.00 74.51 C ATOM 1258 NE ARG A 83 -2.547 -11.494 -8.059 1.00 32.22 N ATOM 1259 CZ ARG A 83 -3.569 -11.449 -7.211 1.00 22.42 C ATOM 1260 NH1 ARG A 83 -4.366 -10.391 -7.184 1.00 54.40 N ATOM 1261 NH2 ARG A 83 -3.794 -12.465 -6.388 1.00 34.43 N ATOM 0 H ARG A 83 0.468 -8.032 -10.596 1.00 20.24 H new ATOM 0 HA ARG A 83 2.339 -9.544 -9.121 1.00 64.40 H new ATOM 0 HB2 ARG A 83 0.474 -10.368 -8.025 1.00 23.31 H new ATOM 0 HB3 ARG A 83 -0.164 -8.871 -8.675 1.00 23.31 H new ATOM 0 HG2 ARG A 83 -0.931 -10.312 -10.705 1.00 21.35 H new ATOM 0 HG3 ARG A 83 -0.630 -11.691 -9.665 1.00 21.35 H new ATOM 0 HD2 ARG A 83 -2.229 -9.467 -8.470 1.00 74.51 H new ATOM 0 HD3 ARG A 83 -3.004 -10.365 -9.761 1.00 74.51 H new ATOM 0 HE ARG A 83 -1.953 -12.323 -8.055 1.00 32.22 H new ATOM 0 HH11 ARG A 83 -4.196 -9.608 -7.815 1.00 54.40 H new ATOM 0 HH12 ARG A 83 -5.150 -10.359 -6.532 1.00 54.40 H new ATOM 0 HH21 ARG A 83 -3.182 -13.281 -6.406 1.00 34.43 H new ATOM 0 HH22 ARG A 83 -4.579 -12.430 -5.737 1.00 34.43 H new ATOM 1275 N CYS A 84 1.280 -10.869 -11.889 1.00 72.25 N ATOM 1276 CA CYS A 84 1.443 -11.992 -12.806 1.00 30.31 C ATOM 1277 C CYS A 84 2.906 -12.161 -13.204 1.00 74.00 C ATOM 1278 O CYS A 84 3.301 -13.204 -13.723 1.00 23.41 O ATOM 1279 CB CYS A 84 0.582 -11.788 -14.054 1.00 24.54 C ATOM 1280 SG CYS A 84 0.524 -13.223 -15.152 1.00 73.33 S ATOM 0 H CYS A 84 0.803 -10.062 -12.291 1.00 72.25 H new ATOM 0 HA CYS A 84 1.118 -12.898 -12.294 1.00 30.31 H new ATOM 0 HB2 CYS A 84 -0.433 -11.539 -13.745 1.00 24.54 H new ATOM 0 HB3 CYS A 84 0.965 -10.933 -14.611 1.00 24.54 H new ATOM 0 HG CYS A 84 1.645 -13.877 -15.071 1.00 73.33 H new ATOM 1286 N MET A 85 3.703 -11.127 -12.959 1.00 3.31 N ATOM 1287 CA MET A 85 5.123 -11.161 -13.292 1.00 55.25 C ATOM 1288 C MET A 85 5.891 -12.040 -12.311 1.00 73.51 C ATOM 1289 O MET A 85 6.758 -12.819 -12.707 1.00 62.31 O ATOM 1290 CB MET A 85 5.703 -9.745 -13.289 1.00 63.51 C ATOM 1291 CG MET A 85 5.159 -8.863 -14.401 1.00 3.23 C ATOM 1292 SD MET A 85 5.350 -7.105 -14.048 1.00 44.21 S ATOM 1293 CE MET A 85 4.167 -6.399 -15.192 1.00 73.42 C ATOM 0 H MET A 85 3.391 -10.255 -12.531 1.00 3.31 H new ATOM 0 HA MET A 85 5.227 -11.586 -14.290 1.00 55.25 H new ATOM 0 HB2 MET A 85 5.491 -9.276 -12.328 1.00 63.51 H new ATOM 0 HB3 MET A 85 6.787 -9.805 -13.382 1.00 63.51 H new ATOM 0 HG2 MET A 85 5.673 -9.101 -15.332 1.00 3.23 H new ATOM 0 HG3 MET A 85 4.103 -9.087 -14.553 1.00 3.23 H new ATOM 0 HE1 MET A 85 3.770 -5.472 -14.779 1.00 73.42 H new ATOM 0 HE2 MET A 85 4.659 -6.191 -16.142 1.00 73.42 H new ATOM 0 HE3 MET A 85 3.351 -7.104 -15.353 1.00 73.42 H new ATOM 1303 N LYS A 86 5.567 -11.911 -11.029 1.00 72.20 N ATOM 1304 CA LYS A 86 6.225 -12.695 -9.990 1.00 41.43 C ATOM 1305 C LYS A 86 5.768 -14.149 -10.034 1.00 20.21 C ATOM 1306 O LYS A 86 6.315 -15.003 -9.336 1.00 4.11 O ATOM 1307 CB LYS A 86 5.934 -12.098 -8.611 1.00 74.53 C ATOM 1308 CG LYS A 86 6.533 -10.718 -8.407 1.00 13.25 C ATOM 1309 CD LYS A 86 8.040 -10.730 -8.598 1.00 40.02 C ATOM 1310 CE LYS A 86 8.709 -9.600 -7.830 1.00 33.41 C ATOM 1311 NZ LYS A 86 10.161 -9.500 -8.144 1.00 10.14 N ATOM 0 H LYS A 86 4.852 -11.270 -10.684 1.00 72.20 H new ATOM 0 HA LYS A 86 7.299 -12.665 -10.172 1.00 41.43 H new ATOM 0 HB2 LYS A 86 4.855 -12.041 -8.470 1.00 74.53 H new ATOM 0 HB3 LYS A 86 6.321 -12.770 -7.845 1.00 74.53 H new ATOM 0 HG2 LYS A 86 6.082 -10.017 -9.110 1.00 13.25 H new ATOM 0 HG3 LYS A 86 6.295 -10.362 -7.405 1.00 13.25 H new ATOM 0 HD2 LYS A 86 8.442 -11.686 -8.264 1.00 40.02 H new ATOM 0 HD3 LYS A 86 8.274 -10.639 -9.659 1.00 40.02 H new ATOM 0 HE2 LYS A 86 8.219 -8.657 -8.072 1.00 33.41 H new ATOM 0 HE3 LYS A 86 8.579 -9.761 -6.760 1.00 33.41 H new ATOM 0 HZ1 LYS A 86 10.581 -8.718 -7.601 1.00 10.14 H new ATOM 0 HZ2 LYS A 86 10.633 -10.391 -7.890 1.00 10.14 H new ATOM 0 HZ3 LYS A 86 10.285 -9.321 -9.161 1.00 10.14 H new ATOM 1325 N ASP A 87 4.764 -14.424 -10.859 1.00 34.44 N ATOM 1326 CA ASP A 87 4.235 -15.777 -10.995 1.00 51.41 C ATOM 1327 C ASP A 87 5.162 -16.639 -11.846 1.00 30.23 C ATOM 1328 O ASP A 87 4.787 -17.089 -12.929 1.00 5.20 O ATOM 1329 CB ASP A 87 2.838 -15.741 -11.617 1.00 41.41 C ATOM 1330 CG ASP A 87 2.097 -17.053 -11.452 1.00 51.21 C ATOM 1331 OD1 ASP A 87 2.680 -17.996 -10.876 1.00 52.43 O ATOM 1332 OD2 ASP A 87 0.934 -17.137 -11.898 1.00 14.31 O ATOM 0 H ASP A 87 4.300 -13.729 -11.444 1.00 34.44 H new ATOM 0 HA ASP A 87 4.170 -16.217 -10.000 1.00 51.41 H new ATOM 0 HB2 ASP A 87 2.259 -14.940 -11.157 1.00 41.41 H new ATOM 0 HB3 ASP A 87 2.922 -15.505 -12.678 1.00 41.41 H new ATOM 1337 N ASP A 88 6.373 -16.865 -11.349 1.00 31.25 N ATOM 1338 CA ASP A 88 7.354 -17.674 -12.063 1.00 1.23 C ATOM 1339 C ASP A 88 7.684 -17.057 -13.418 1.00 53.33 C ATOM 1340 O ASP A 88 7.791 -17.761 -14.422 1.00 43.33 O ATOM 1341 CB ASP A 88 6.832 -19.099 -12.251 1.00 21.13 C ATOM 1342 CG ASP A 88 6.475 -19.763 -10.935 1.00 52.04 C ATOM 1343 OD1 ASP A 88 7.398 -20.237 -10.240 1.00 54.24 O ATOM 1344 OD2 ASP A 88 5.272 -19.810 -10.601 1.00 41.53 O ATOM 0 H ASP A 88 6.699 -16.499 -10.454 1.00 31.25 H new ATOM 0 HA ASP A 88 8.266 -17.705 -11.467 1.00 1.23 H new ATOM 0 HB2 ASP A 88 5.953 -19.079 -12.895 1.00 21.13 H new ATOM 0 HB3 ASP A 88 7.588 -19.695 -12.762 1.00 21.13 H new ATOM 1349 N SER A 89 7.842 -15.737 -13.439 1.00 73.13 N ATOM 1350 CA SER A 89 8.154 -15.024 -14.672 1.00 62.25 C ATOM 1351 C SER A 89 7.034 -15.191 -15.695 1.00 1.20 C ATOM 1352 O SER A 89 7.136 -16.053 -16.566 1.00 60.21 O ATOM 1353 CB SER A 89 9.474 -15.530 -15.258 1.00 41.51 C ATOM 1354 OG SER A 89 10.449 -15.703 -14.244 1.00 52.42 O ATOM 0 H SER A 89 7.759 -15.140 -12.616 1.00 73.13 H new ATOM 0 HA SER A 89 8.251 -13.964 -14.435 1.00 62.25 H new ATOM 0 HB2 SER A 89 9.308 -16.476 -15.773 1.00 41.51 H new ATOM 0 HB3 SER A 89 9.840 -14.823 -16.002 1.00 41.51 H new ATOM 0 HG SER A 89 11.282 -16.028 -14.644 1.00 52.42 H new TER 1360 SER A 89 HETATM 1361 CA CA A 90 -8.332 2.290 -3.243 1.00 14.23 CA