USER MOD reduce.3.24.130724 H: found=0, std=0, add=483, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 484 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 35 ASN :FLIP amide:sc= 0.618 F(o=1.5,f=2.2) USER MOD Set 1.2: A 37 THR OG1 : rot 116:sc= 1.54 USER MOD Single : A 6 LYS NZ :NH3+ -160:sc= 0.725 (180deg=0.372) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 TYR OH : rot 73:sc= 0.658 USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 LYS NZ :NH3+ 169:sc= 1.25 (180deg=1.01) USER MOD Single : A 19 SER OG : rot -84:sc= 1.2 USER MOD Single : A 24 THR OG1 : rot 86:sc= 1.78 USER MOD Single : A 25 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 141:sc= 1.16 (180deg=-0.465) USER MOD Single : A 27 LYS NZ :NH3+ -148:sc= 1.24 (180deg=-0.0686) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ -108:sc= 0.728 (180deg=-0.114) USER MOD Single : A 47 ASN : amide:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 50 GLN : amide:sc= 1.08 K(o=1.1,f=-1.1) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 179:sc= 1.24 (180deg=1.17) USER MOD Single : A 60 LYS NZ :NH3+ -176:sc= 2.49 (180deg=2.36) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 5 -10.712 5.888 -1.073 1.00 0.00 N ATOM 2 CA GLY A 5 -11.458 5.431 -2.239 1.00 0.00 C ATOM 3 C GLY A 5 -10.956 6.122 -3.497 1.00 0.00 C ATOM 4 O GLY A 5 -11.361 7.247 -3.781 1.00 0.00 O ATOM 0 HA2 GLY A 5 -11.354 4.351 -2.344 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -12.520 5.637 -2.103 1.00 0.00 H new ATOM 8 N LYS A 6 -10.115 5.436 -4.267 1.00 0.00 N ATOM 9 CA LYS A 6 -9.544 5.923 -5.509 1.00 0.00 C ATOM 10 C LYS A 6 -8.813 7.252 -5.286 1.00 0.00 C ATOM 11 O LYS A 6 -8.985 8.229 -6.018 1.00 0.00 O ATOM 12 CB LYS A 6 -10.585 5.923 -6.637 1.00 0.00 C ATOM 13 CG LYS A 6 -11.201 4.526 -6.843 1.00 0.00 C ATOM 14 CD LYS A 6 -12.161 4.521 -8.041 1.00 0.00 C ATOM 15 CE LYS A 6 -12.912 3.182 -8.197 1.00 0.00 C ATOM 16 NZ LYS A 6 -12.082 2.090 -8.742 1.00 0.00 N ATOM 0 H LYS A 6 -9.805 4.494 -4.030 1.00 0.00 H new ATOM 0 HA LYS A 6 -8.773 5.234 -5.854 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -11.374 6.638 -6.404 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -10.117 6.255 -7.564 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -10.409 3.795 -7.004 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -11.735 4.224 -5.942 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -12.885 5.327 -7.924 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -11.599 4.726 -8.952 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -13.300 2.879 -7.225 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -13.771 3.333 -8.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -12.697 1.348 -9.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -11.469 2.463 -9.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -11.494 1.689 -7.983 1.00 0.00 H new ATOM 30 N GLU A 7 -7.926 7.242 -4.298 1.00 0.00 N ATOM 31 CA GLU A 7 -6.993 8.326 -4.065 1.00 0.00 C ATOM 32 C GLU A 7 -5.868 8.137 -5.081 1.00 0.00 C ATOM 33 O GLU A 7 -5.497 6.990 -5.343 1.00 0.00 O ATOM 34 CB GLU A 7 -6.443 8.190 -2.643 1.00 0.00 C ATOM 35 CG GLU A 7 -7.576 8.089 -1.612 1.00 0.00 C ATOM 36 CD GLU A 7 -7.524 6.771 -0.889 1.00 0.00 C ATOM 37 OE1 GLU A 7 -8.074 5.778 -1.404 1.00 0.00 O ATOM 38 OE2 GLU A 7 -6.928 6.764 0.210 1.00 0.00 O ATOM 0 H GLU A 7 -7.837 6.473 -3.634 1.00 0.00 H new ATOM 0 HA GLU A 7 -7.455 9.308 -4.170 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -5.811 7.305 -2.579 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -5.813 9.049 -2.411 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -7.495 8.906 -0.895 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -8.539 8.197 -2.111 1.00 0.00 H new ATOM 45 N LEU A 8 -5.340 9.207 -5.664 1.00 0.00 N ATOM 46 CA LEU A 8 -4.198 9.048 -6.542 1.00 0.00 C ATOM 47 C LEU A 8 -2.965 8.920 -5.665 1.00 0.00 C ATOM 48 O LEU A 8 -2.818 9.659 -4.682 1.00 0.00 O ATOM 49 CB LEU A 8 -4.044 10.221 -7.518 1.00 0.00 C ATOM 50 CG LEU A 8 -5.275 10.456 -8.406 1.00 0.00 C ATOM 51 CD1 LEU A 8 -4.913 11.498 -9.470 1.00 0.00 C ATOM 52 CD2 LEU A 8 -5.736 9.169 -9.091 1.00 0.00 C ATOM 0 H LEU A 8 -5.674 10.164 -5.548 1.00 0.00 H new ATOM 0 HA LEU A 8 -4.338 8.159 -7.157 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -3.839 11.129 -6.951 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -3.178 10.040 -8.155 1.00 0.00 H new ATOM 0 HG LEU A 8 -6.094 10.806 -7.778 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -5.776 11.678 -10.111 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -4.622 12.429 -8.983 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -4.084 11.129 -10.073 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -6.609 9.379 -9.710 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -4.932 8.782 -9.717 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -5.996 8.428 -8.335 1.00 0.00 H new ATOM 64 N VAL A 9 -2.102 7.963 -5.988 1.00 0.00 N ATOM 65 CA VAL A 9 -0.882 7.716 -5.243 1.00 0.00 C ATOM 66 C VAL A 9 0.256 7.550 -6.248 1.00 0.00 C ATOM 67 O VAL A 9 0.065 6.893 -7.269 1.00 0.00 O ATOM 68 CB VAL A 9 -1.050 6.528 -4.275 1.00 0.00 C ATOM 69 CG1 VAL A 9 -2.370 6.614 -3.494 1.00 0.00 C ATOM 70 CG2 VAL A 9 -1.040 5.163 -4.966 1.00 0.00 C ATOM 0 H VAL A 9 -2.234 7.335 -6.781 1.00 0.00 H new ATOM 0 HA VAL A 9 -0.638 8.559 -4.597 1.00 0.00 H new ATOM 0 HB VAL A 9 -0.188 6.604 -3.613 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -2.452 5.759 -2.823 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -2.389 7.536 -2.912 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -3.207 6.608 -4.192 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -1.163 4.377 -4.221 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -1.858 5.113 -5.685 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -0.092 5.025 -5.486 1.00 0.00 H new ATOM 80 N LEU A 10 1.394 8.195 -6.003 1.00 0.00 N ATOM 81 CA LEU A 10 2.523 8.169 -6.915 1.00 0.00 C ATOM 82 C LEU A 10 3.452 7.023 -6.524 1.00 0.00 C ATOM 83 O LEU A 10 3.733 6.842 -5.339 1.00 0.00 O ATOM 84 CB LEU A 10 3.236 9.526 -6.904 1.00 0.00 C ATOM 85 CG LEU A 10 4.342 9.583 -7.973 1.00 0.00 C ATOM 86 CD1 LEU A 10 4.206 10.854 -8.816 1.00 0.00 C ATOM 87 CD2 LEU A 10 5.729 9.522 -7.321 1.00 0.00 C ATOM 0 H LEU A 10 1.555 8.750 -5.163 1.00 0.00 H new ATOM 0 HA LEU A 10 2.184 7.995 -7.936 1.00 0.00 H new ATOM 0 HB2 LEU A 10 2.512 10.321 -7.083 1.00 0.00 H new ATOM 0 HB3 LEU A 10 3.669 9.704 -5.920 1.00 0.00 H new ATOM 0 HG LEU A 10 4.231 8.718 -8.627 1.00 0.00 H new ATOM 0 HD11 LEU A 10 4.996 10.879 -9.567 1.00 0.00 H new ATOM 0 HD12 LEU A 10 3.235 10.860 -9.310 1.00 0.00 H new ATOM 0 HD13 LEU A 10 4.291 11.729 -8.171 1.00 0.00 H new ATOM 0 HD21 LEU A 10 6.496 9.564 -8.094 1.00 0.00 H new ATOM 0 HD22 LEU A 10 5.850 10.367 -6.644 1.00 0.00 H new ATOM 0 HD23 LEU A 10 5.827 8.592 -6.762 1.00 0.00 H new ATOM 99 N ALA A 11 3.933 6.254 -7.507 1.00 0.00 N ATOM 100 CA ALA A 11 4.815 5.122 -7.298 1.00 0.00 C ATOM 101 C ALA A 11 6.246 5.615 -7.093 1.00 0.00 C ATOM 102 O ALA A 11 6.849 6.224 -7.980 1.00 0.00 O ATOM 103 CB ALA A 11 4.742 4.183 -8.506 1.00 0.00 C ATOM 0 H ALA A 11 3.709 6.413 -8.489 1.00 0.00 H new ATOM 0 HA ALA A 11 4.502 4.576 -6.408 1.00 0.00 H new ATOM 0 HB1 ALA A 11 5.406 3.333 -8.347 1.00 0.00 H new ATOM 0 HB2 ALA A 11 3.719 3.827 -8.629 1.00 0.00 H new ATOM 0 HB3 ALA A 11 5.049 4.720 -9.403 1.00 0.00 H new ATOM 109 N LEU A 12 6.815 5.350 -5.920 1.00 0.00 N ATOM 110 CA LEU A 12 8.131 5.826 -5.527 1.00 0.00 C ATOM 111 C LEU A 12 9.249 4.973 -6.136 1.00 0.00 C ATOM 112 O LEU A 12 10.369 5.464 -6.295 1.00 0.00 O ATOM 113 CB LEU A 12 8.250 5.802 -3.997 1.00 0.00 C ATOM 114 CG LEU A 12 7.212 6.672 -3.270 1.00 0.00 C ATOM 115 CD1 LEU A 12 7.380 6.447 -1.764 1.00 0.00 C ATOM 116 CD2 LEU A 12 7.403 8.158 -3.575 1.00 0.00 C ATOM 0 H LEU A 12 6.361 4.785 -5.203 1.00 0.00 H new ATOM 0 HA LEU A 12 8.242 6.844 -5.899 1.00 0.00 H new ATOM 0 HB2 LEU A 12 8.150 4.773 -3.652 1.00 0.00 H new ATOM 0 HB3 LEU A 12 9.249 6.137 -3.716 1.00 0.00 H new ATOM 0 HG LEU A 12 6.216 6.388 -3.610 1.00 0.00 H new ATOM 0 HD11 LEU A 12 6.654 7.054 -1.222 1.00 0.00 H new ATOM 0 HD12 LEU A 12 7.217 5.394 -1.533 1.00 0.00 H new ATOM 0 HD13 LEU A 12 8.388 6.733 -1.464 1.00 0.00 H new ATOM 0 HD21 LEU A 12 6.650 8.739 -3.042 1.00 0.00 H new ATOM 0 HD22 LEU A 12 8.396 8.471 -3.254 1.00 0.00 H new ATOM 0 HD23 LEU A 12 7.299 8.326 -4.647 1.00 0.00 H new ATOM 128 N TYR A 13 8.974 3.699 -6.425 1.00 0.00 N ATOM 129 CA TYR A 13 9.940 2.743 -6.950 1.00 0.00 C ATOM 130 C TYR A 13 9.254 1.886 -8.005 1.00 0.00 C ATOM 131 O TYR A 13 8.032 1.728 -7.967 1.00 0.00 O ATOM 132 CB TYR A 13 10.474 1.848 -5.826 1.00 0.00 C ATOM 133 CG TYR A 13 11.181 2.595 -4.715 1.00 0.00 C ATOM 134 CD1 TYR A 13 12.520 2.980 -4.866 1.00 0.00 C ATOM 135 CD2 TYR A 13 10.484 2.951 -3.549 1.00 0.00 C ATOM 136 CE1 TYR A 13 13.152 3.743 -3.875 1.00 0.00 C ATOM 137 CE2 TYR A 13 11.125 3.681 -2.532 1.00 0.00 C ATOM 138 CZ TYR A 13 12.462 4.076 -2.696 1.00 0.00 C ATOM 139 OH TYR A 13 13.081 4.793 -1.713 1.00 0.00 O ATOM 0 H TYR A 13 8.046 3.297 -6.295 1.00 0.00 H new ATOM 0 HA TYR A 13 10.780 3.281 -7.390 1.00 0.00 H new ATOM 0 HB2 TYR A 13 9.643 1.287 -5.399 1.00 0.00 H new ATOM 0 HB3 TYR A 13 11.163 1.120 -6.254 1.00 0.00 H new ATOM 0 HD1 TYR A 13 13.067 2.687 -5.750 1.00 0.00 H new ATOM 0 HD2 TYR A 13 9.450 2.663 -3.433 1.00 0.00 H new ATOM 0 HE1 TYR A 13 14.170 4.075 -4.017 1.00 0.00 H new ATOM 0 HE2 TYR A 13 10.591 3.937 -1.629 1.00 0.00 H new ATOM 0 HH TYR A 13 12.458 4.935 -0.970 1.00 0.00 H new ATOM 149 N ASP A 14 10.041 1.339 -8.931 1.00 0.00 N ATOM 150 CA ASP A 14 9.561 0.408 -9.941 1.00 0.00 C ATOM 151 C ASP A 14 9.344 -0.935 -9.258 1.00 0.00 C ATOM 152 O ASP A 14 10.153 -1.311 -8.406 1.00 0.00 O ATOM 153 CB ASP A 14 10.601 0.251 -11.054 1.00 0.00 C ATOM 154 CG ASP A 14 11.067 1.570 -11.606 1.00 0.00 C ATOM 155 OD1 ASP A 14 12.034 2.123 -11.038 1.00 0.00 O ATOM 156 OD2 ASP A 14 10.475 2.042 -12.596 1.00 0.00 O ATOM 0 H ASP A 14 11.040 1.535 -8.998 1.00 0.00 H new ATOM 0 HA ASP A 14 8.636 0.776 -10.385 1.00 0.00 H new ATOM 0 HB2 ASP A 14 11.459 -0.300 -10.668 1.00 0.00 H new ATOM 0 HB3 ASP A 14 10.176 -0.346 -11.861 1.00 0.00 H new ATOM 161 N TYR A 15 8.286 -1.661 -9.604 1.00 0.00 N ATOM 162 CA TYR A 15 7.948 -2.914 -8.941 1.00 0.00 C ATOM 163 C TYR A 15 7.310 -3.865 -9.948 1.00 0.00 C ATOM 164 O TYR A 15 6.303 -3.516 -10.562 1.00 0.00 O ATOM 165 CB TYR A 15 7.004 -2.612 -7.772 1.00 0.00 C ATOM 166 CG TYR A 15 6.360 -3.838 -7.158 1.00 0.00 C ATOM 167 CD1 TYR A 15 7.117 -4.698 -6.347 1.00 0.00 C ATOM 168 CD2 TYR A 15 5.034 -4.174 -7.492 1.00 0.00 C ATOM 169 CE1 TYR A 15 6.572 -5.923 -5.922 1.00 0.00 C ATOM 170 CE2 TYR A 15 4.483 -5.385 -7.040 1.00 0.00 C ATOM 171 CZ TYR A 15 5.280 -6.285 -6.317 1.00 0.00 C ATOM 172 OH TYR A 15 4.767 -7.489 -5.937 1.00 0.00 O ATOM 0 H TYR A 15 7.641 -1.398 -10.349 1.00 0.00 H new ATOM 0 HA TYR A 15 8.843 -3.397 -8.548 1.00 0.00 H new ATOM 0 HB2 TYR A 15 7.560 -2.082 -6.999 1.00 0.00 H new ATOM 0 HB3 TYR A 15 6.220 -1.939 -8.118 1.00 0.00 H new ATOM 0 HD1 TYR A 15 8.117 -4.419 -6.050 1.00 0.00 H new ATOM 0 HD2 TYR A 15 4.441 -3.502 -8.095 1.00 0.00 H new ATOM 0 HE1 TYR A 15 7.150 -6.583 -5.292 1.00 0.00 H new ATOM 0 HE2 TYR A 15 3.450 -5.622 -7.248 1.00 0.00 H new ATOM 0 HH TYR A 15 4.552 -7.466 -4.981 1.00 0.00 H new ATOM 182 N GLN A 16 7.892 -5.052 -10.108 1.00 0.00 N ATOM 183 CA GLN A 16 7.304 -6.139 -10.876 1.00 0.00 C ATOM 184 C GLN A 16 6.537 -7.039 -9.916 1.00 0.00 C ATOM 185 O GLN A 16 7.065 -7.404 -8.864 1.00 0.00 O ATOM 186 CB GLN A 16 8.407 -6.929 -11.593 1.00 0.00 C ATOM 187 CG GLN A 16 7.802 -7.986 -12.526 1.00 0.00 C ATOM 188 CD GLN A 16 8.892 -8.707 -13.298 1.00 0.00 C ATOM 189 OE1 GLN A 16 9.078 -8.481 -14.493 1.00 0.00 O ATOM 190 NE2 GLN A 16 9.647 -9.566 -12.632 1.00 0.00 N ATOM 0 H GLN A 16 8.798 -5.285 -9.701 1.00 0.00 H new ATOM 0 HA GLN A 16 6.625 -5.746 -11.633 1.00 0.00 H new ATOM 0 HB2 GLN A 16 9.034 -6.247 -12.167 1.00 0.00 H new ATOM 0 HB3 GLN A 16 9.051 -7.412 -10.858 1.00 0.00 H new ATOM 0 HG2 GLN A 16 7.225 -8.705 -11.944 1.00 0.00 H new ATOM 0 HG3 GLN A 16 7.110 -7.511 -13.222 1.00 0.00 H new ATOM 0 HE21 GLN A 16 9.473 -9.737 -11.641 1.00 0.00 H new ATOM 0 HE22 GLN A 16 10.403 -10.057 -13.109 1.00 0.00 H new ATOM 199 N GLU A 17 5.316 -7.412 -10.286 1.00 0.00 N ATOM 200 CA GLU A 17 4.457 -8.243 -9.469 1.00 0.00 C ATOM 201 C GLU A 17 5.141 -9.533 -9.013 1.00 0.00 C ATOM 202 O GLU A 17 5.762 -10.243 -9.804 1.00 0.00 O ATOM 203 CB GLU A 17 3.158 -8.522 -10.223 1.00 0.00 C ATOM 204 CG GLU A 17 3.334 -9.247 -11.556 1.00 0.00 C ATOM 205 CD GLU A 17 2.130 -8.971 -12.426 1.00 0.00 C ATOM 206 OE1 GLU A 17 2.114 -7.888 -13.042 1.00 0.00 O ATOM 207 OE2 GLU A 17 1.199 -9.798 -12.453 1.00 0.00 O ATOM 0 H GLU A 17 4.896 -7.139 -11.174 1.00 0.00 H new ATOM 0 HA GLU A 17 4.228 -7.698 -8.553 1.00 0.00 H new ATOM 0 HB2 GLU A 17 2.505 -9.117 -9.585 1.00 0.00 H new ATOM 0 HB3 GLU A 17 2.649 -7.575 -10.405 1.00 0.00 H new ATOM 0 HG2 GLU A 17 4.243 -8.908 -12.052 1.00 0.00 H new ATOM 0 HG3 GLU A 17 3.442 -10.319 -11.391 1.00 0.00 H new ATOM 214 N LYS A 18 4.961 -9.867 -7.737 1.00 0.00 N ATOM 215 CA LYS A 18 5.478 -11.075 -7.120 1.00 0.00 C ATOM 216 C LYS A 18 4.593 -12.279 -7.474 1.00 0.00 C ATOM 217 O LYS A 18 5.038 -13.422 -7.405 1.00 0.00 O ATOM 218 CB LYS A 18 5.535 -10.824 -5.608 1.00 0.00 C ATOM 219 CG LYS A 18 5.921 -12.065 -4.796 1.00 0.00 C ATOM 220 CD LYS A 18 6.284 -11.702 -3.350 1.00 0.00 C ATOM 221 CE LYS A 18 5.246 -10.846 -2.611 1.00 0.00 C ATOM 222 NZ LYS A 18 3.897 -11.435 -2.603 1.00 0.00 N ATOM 0 H LYS A 18 4.434 -9.282 -7.088 1.00 0.00 H new ATOM 0 HA LYS A 18 6.476 -11.311 -7.488 1.00 0.00 H new ATOM 0 HB2 LYS A 18 6.254 -10.030 -5.407 1.00 0.00 H new ATOM 0 HB3 LYS A 18 4.562 -10.467 -5.270 1.00 0.00 H new ATOM 0 HG2 LYS A 18 5.093 -12.774 -4.797 1.00 0.00 H new ATOM 0 HG3 LYS A 18 6.767 -12.563 -5.270 1.00 0.00 H new ATOM 0 HD2 LYS A 18 6.438 -12.624 -2.789 1.00 0.00 H new ATOM 0 HD3 LYS A 18 7.235 -11.169 -3.354 1.00 0.00 H new ATOM 0 HE2 LYS A 18 5.575 -10.698 -1.582 1.00 0.00 H new ATOM 0 HE3 LYS A 18 5.201 -9.861 -3.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 3.293 -10.910 -1.939 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 3.489 -11.381 -3.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 3.954 -12.430 -2.307 1.00 0.00 H new ATOM 236 N SER A 19 3.337 -12.053 -7.844 1.00 0.00 N ATOM 237 CA SER A 19 2.429 -13.103 -8.275 1.00 0.00 C ATOM 238 C SER A 19 1.336 -12.432 -9.104 1.00 0.00 C ATOM 239 O SER A 19 1.248 -11.204 -9.059 1.00 0.00 O ATOM 240 CB SER A 19 1.844 -13.776 -7.027 1.00 0.00 C ATOM 241 OG SER A 19 0.995 -12.870 -6.348 1.00 0.00 O ATOM 0 H SER A 19 2.918 -11.123 -7.852 1.00 0.00 H new ATOM 0 HA SER A 19 2.927 -13.866 -8.873 1.00 0.00 H new ATOM 0 HB2 SER A 19 1.286 -14.668 -7.311 1.00 0.00 H new ATOM 0 HB3 SER A 19 2.648 -14.100 -6.366 1.00 0.00 H new ATOM 0 HG SER A 19 1.531 -12.297 -5.760 1.00 0.00 H new ATOM 247 N PRO A 20 0.449 -13.188 -9.770 1.00 0.00 N ATOM 248 CA PRO A 20 -0.726 -12.642 -10.434 1.00 0.00 C ATOM 249 C PRO A 20 -1.599 -11.779 -9.517 1.00 0.00 C ATOM 250 O PRO A 20 -2.410 -10.995 -10.008 1.00 0.00 O ATOM 251 CB PRO A 20 -1.510 -13.860 -10.937 1.00 0.00 C ATOM 252 CG PRO A 20 -0.434 -14.935 -11.101 1.00 0.00 C ATOM 253 CD PRO A 20 0.485 -14.632 -9.922 1.00 0.00 C ATOM 0 HA PRO A 20 -0.423 -11.971 -11.238 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -2.277 -14.165 -10.225 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -2.015 -13.651 -11.880 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -0.849 -15.941 -11.049 1.00 0.00 H new ATOM 0 HG3 PRO A 20 0.085 -14.853 -12.056 1.00 0.00 H new ATOM 0 HD2 PRO A 20 0.141 -15.132 -9.016 1.00 0.00 H new ATOM 0 HD3 PRO A 20 1.499 -14.982 -10.114 1.00 0.00 H new ATOM 261 N ARG A 21 -1.495 -11.958 -8.199 1.00 0.00 N ATOM 262 CA ARG A 21 -2.293 -11.244 -7.216 1.00 0.00 C ATOM 263 C ARG A 21 -1.710 -9.845 -7.003 1.00 0.00 C ATOM 264 O ARG A 21 -2.442 -8.868 -6.810 1.00 0.00 O ATOM 265 CB ARG A 21 -2.252 -12.011 -5.895 1.00 0.00 C ATOM 266 CG ARG A 21 -2.629 -13.498 -6.030 1.00 0.00 C ATOM 267 CD ARG A 21 -2.563 -14.274 -4.707 1.00 0.00 C ATOM 268 NE ARG A 21 -1.208 -14.316 -4.131 1.00 0.00 N ATOM 269 CZ ARG A 21 -0.569 -13.295 -3.532 1.00 0.00 C ATOM 270 NH1 ARG A 21 -1.257 -12.270 -3.037 1.00 0.00 N ATOM 271 NH2 ARG A 21 0.760 -13.278 -3.489 1.00 0.00 N ATOM 0 H ARG A 21 -0.839 -12.618 -7.782 1.00 0.00 H new ATOM 0 HA ARG A 21 -3.321 -11.159 -7.568 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -1.250 -11.936 -5.473 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -2.932 -11.536 -5.188 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -3.638 -13.572 -6.435 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -1.961 -13.969 -6.751 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -3.243 -13.815 -3.989 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -2.913 -15.293 -4.872 1.00 0.00 H new ATOM 0 HE ARG A 21 -0.707 -15.202 -4.192 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -2.274 -12.256 -3.111 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -0.767 -11.498 -2.584 1.00 0.00 H new ATOM 0 HH21 ARG A 21 1.294 -14.039 -3.910 1.00 0.00 H new ATOM 0 HH22 ARG A 21 1.246 -12.504 -3.035 1.00 0.00 H new ATOM 285 N GLU A 22 -0.385 -9.745 -7.048 1.00 0.00 N ATOM 286 CA GLU A 22 0.284 -8.464 -7.067 1.00 0.00 C ATOM 287 C GLU A 22 0.189 -7.932 -8.505 1.00 0.00 C ATOM 288 O GLU A 22 -0.227 -8.654 -9.410 1.00 0.00 O ATOM 289 CB GLU A 22 1.736 -8.647 -6.599 1.00 0.00 C ATOM 290 CG GLU A 22 1.899 -8.844 -5.077 1.00 0.00 C ATOM 291 CD GLU A 22 1.360 -10.149 -4.522 1.00 0.00 C ATOM 292 OE1 GLU A 22 2.102 -11.157 -4.557 1.00 0.00 O ATOM 293 OE2 GLU A 22 0.253 -10.142 -3.953 1.00 0.00 O ATOM 0 H GLU A 22 0.244 -10.547 -7.072 1.00 0.00 H new ATOM 0 HA GLU A 22 -0.176 -7.743 -6.391 1.00 0.00 H new ATOM 0 HB2 GLU A 22 2.164 -9.509 -7.112 1.00 0.00 H new ATOM 0 HB3 GLU A 22 2.315 -7.775 -6.904 1.00 0.00 H new ATOM 0 HG2 GLU A 22 2.959 -8.776 -4.832 1.00 0.00 H new ATOM 0 HG3 GLU A 22 1.400 -8.020 -4.567 1.00 0.00 H new ATOM 300 N VAL A 23 0.548 -6.675 -8.737 1.00 0.00 N ATOM 301 CA VAL A 23 0.453 -6.048 -10.026 1.00 0.00 C ATOM 302 C VAL A 23 1.671 -5.152 -10.226 1.00 0.00 C ATOM 303 O VAL A 23 2.182 -4.588 -9.261 1.00 0.00 O ATOM 304 CB VAL A 23 -0.881 -5.305 -10.059 1.00 0.00 C ATOM 305 CG1 VAL A 23 -1.063 -4.259 -8.954 1.00 0.00 C ATOM 306 CG2 VAL A 23 -1.076 -4.615 -11.381 1.00 0.00 C ATOM 0 H VAL A 23 0.919 -6.061 -8.012 1.00 0.00 H new ATOM 0 HA VAL A 23 0.463 -6.757 -10.854 1.00 0.00 H new ATOM 0 HB VAL A 23 -1.625 -6.085 -9.897 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -2.039 -3.785 -9.059 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -0.998 -4.744 -7.980 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -0.282 -3.504 -9.036 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -2.033 -4.093 -11.381 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -0.271 -3.898 -11.539 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -1.066 -5.354 -12.182 1.00 0.00 H new ATOM 316 N THR A 24 2.161 -5.094 -11.458 1.00 0.00 N ATOM 317 CA THR A 24 3.368 -4.377 -11.809 1.00 0.00 C ATOM 318 C THR A 24 3.056 -2.882 -11.946 1.00 0.00 C ATOM 319 O THR A 24 1.969 -2.525 -12.400 1.00 0.00 O ATOM 320 CB THR A 24 3.884 -4.982 -13.127 1.00 0.00 C ATOM 321 OG1 THR A 24 4.310 -6.315 -12.895 1.00 0.00 O ATOM 322 CG2 THR A 24 5.039 -4.200 -13.744 1.00 0.00 C ATOM 0 H THR A 24 1.718 -5.555 -12.253 1.00 0.00 H new ATOM 0 HA THR A 24 4.135 -4.472 -11.041 1.00 0.00 H new ATOM 0 HB THR A 24 3.055 -4.943 -13.833 1.00 0.00 H new ATOM 0 HG1 THR A 24 3.544 -6.921 -12.970 1.00 0.00 H new ATOM 0 HG21 THR A 24 5.352 -4.683 -14.670 1.00 0.00 H new ATOM 0 HG22 THR A 24 4.716 -3.181 -13.957 1.00 0.00 H new ATOM 0 HG23 THR A 24 5.876 -4.176 -13.046 1.00 0.00 H new ATOM 330 N MET A 25 4.010 -2.027 -11.560 1.00 0.00 N ATOM 331 CA MET A 25 3.972 -0.586 -11.756 1.00 0.00 C ATOM 332 C MET A 25 5.402 -0.092 -12.015 1.00 0.00 C ATOM 333 O MET A 25 6.364 -0.787 -11.676 1.00 0.00 O ATOM 334 CB MET A 25 3.344 0.104 -10.539 1.00 0.00 C ATOM 335 CG MET A 25 4.177 -0.080 -9.260 1.00 0.00 C ATOM 336 SD MET A 25 3.441 0.632 -7.771 1.00 0.00 S ATOM 337 CE MET A 25 4.821 0.475 -6.621 1.00 0.00 C ATOM 0 H MET A 25 4.858 -2.338 -11.086 1.00 0.00 H new ATOM 0 HA MET A 25 3.351 -0.338 -12.617 1.00 0.00 H new ATOM 0 HB2 MET A 25 3.234 1.168 -10.746 1.00 0.00 H new ATOM 0 HB3 MET A 25 2.343 -0.295 -10.377 1.00 0.00 H new ATOM 0 HG2 MET A 25 4.336 -1.146 -9.096 1.00 0.00 H new ATOM 0 HG3 MET A 25 5.158 0.369 -9.414 1.00 0.00 H new ATOM 0 HE1 MET A 25 4.531 0.871 -5.648 1.00 0.00 H new ATOM 0 HE2 MET A 25 5.092 -0.576 -6.519 1.00 0.00 H new ATOM 0 HE3 MET A 25 5.676 1.035 -7.000 1.00 0.00 H new ATOM 347 N LYS A 26 5.551 1.085 -12.604 1.00 0.00 N ATOM 348 CA LYS A 26 6.831 1.733 -12.851 1.00 0.00 C ATOM 349 C LYS A 26 6.955 2.922 -11.886 1.00 0.00 C ATOM 350 O LYS A 26 5.956 3.417 -11.370 1.00 0.00 O ATOM 351 CB LYS A 26 6.867 2.153 -14.326 1.00 0.00 C ATOM 352 CG LYS A 26 8.136 2.906 -14.753 1.00 0.00 C ATOM 353 CD LYS A 26 8.039 3.420 -16.192 1.00 0.00 C ATOM 354 CE LYS A 26 6.834 4.334 -16.466 1.00 0.00 C ATOM 355 NZ LYS A 26 6.635 5.371 -15.432 1.00 0.00 N ATOM 0 H LYS A 26 4.757 1.634 -12.934 1.00 0.00 H new ATOM 0 HA LYS A 26 7.680 1.073 -12.672 1.00 0.00 H new ATOM 0 HB2 LYS A 26 6.765 1.262 -14.945 1.00 0.00 H new ATOM 0 HB3 LYS A 26 6.002 2.784 -14.530 1.00 0.00 H new ATOM 0 HG2 LYS A 26 8.304 3.745 -14.078 1.00 0.00 H new ATOM 0 HG3 LYS A 26 8.998 2.245 -14.661 1.00 0.00 H new ATOM 0 HD2 LYS A 26 8.953 3.964 -16.432 1.00 0.00 H new ATOM 0 HD3 LYS A 26 7.991 2.565 -16.867 1.00 0.00 H new ATOM 0 HE2 LYS A 26 6.967 4.818 -17.434 1.00 0.00 H new ATOM 0 HE3 LYS A 26 5.933 3.724 -16.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 6.346 6.262 -15.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 5.895 5.063 -14.769 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 7.524 5.519 -14.913 1.00 0.00 H new ATOM 369 N LYS A 27 8.175 3.393 -11.637 1.00 0.00 N ATOM 370 CA LYS A 27 8.391 4.620 -10.887 1.00 0.00 C ATOM 371 C LYS A 27 7.614 5.766 -11.541 1.00 0.00 C ATOM 372 O LYS A 27 7.480 5.823 -12.764 1.00 0.00 O ATOM 373 CB LYS A 27 9.898 4.930 -10.869 1.00 0.00 C ATOM 374 CG LYS A 27 10.340 5.775 -9.674 1.00 0.00 C ATOM 375 CD LYS A 27 11.738 6.396 -9.858 1.00 0.00 C ATOM 376 CE LYS A 27 12.840 5.486 -10.419 1.00 0.00 C ATOM 377 NZ LYS A 27 13.050 4.213 -9.699 1.00 0.00 N ATOM 0 H LYS A 27 9.033 2.937 -11.948 1.00 0.00 H new ATOM 0 HA LYS A 27 8.035 4.503 -9.863 1.00 0.00 H new ATOM 0 HB2 LYS A 27 10.452 3.992 -10.863 1.00 0.00 H new ATOM 0 HB3 LYS A 27 10.163 5.451 -11.789 1.00 0.00 H new ATOM 0 HG2 LYS A 27 9.614 6.571 -9.511 1.00 0.00 H new ATOM 0 HG3 LYS A 27 10.339 5.155 -8.778 1.00 0.00 H new ATOM 0 HD2 LYS A 27 11.641 7.257 -10.519 1.00 0.00 H new ATOM 0 HD3 LYS A 27 12.071 6.773 -8.891 1.00 0.00 H new ATOM 0 HE2 LYS A 27 12.604 5.259 -11.459 1.00 0.00 H new ATOM 0 HE3 LYS A 27 13.778 6.041 -10.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 14.053 3.944 -9.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 12.777 4.329 -8.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 12.468 3.469 -10.133 1.00 0.00 H new ATOM 391 N GLY A 28 7.132 6.709 -10.733 1.00 0.00 N ATOM 392 CA GLY A 28 6.486 7.917 -11.207 1.00 0.00 C ATOM 393 C GLY A 28 5.007 7.708 -11.535 1.00 0.00 C ATOM 394 O GLY A 28 4.267 8.688 -11.630 1.00 0.00 O ATOM 0 H GLY A 28 7.184 6.648 -9.716 1.00 0.00 H new ATOM 0 HA2 GLY A 28 6.579 8.695 -10.449 1.00 0.00 H new ATOM 0 HA3 GLY A 28 7.004 8.275 -12.097 1.00 0.00 H new ATOM 398 N ASP A 29 4.562 6.464 -11.733 1.00 0.00 N ATOM 399 CA ASP A 29 3.194 6.162 -12.128 1.00 0.00 C ATOM 400 C ASP A 29 2.220 6.748 -11.112 1.00 0.00 C ATOM 401 O ASP A 29 2.493 6.710 -9.914 1.00 0.00 O ATOM 402 CB ASP A 29 2.981 4.647 -12.207 1.00 0.00 C ATOM 403 CG ASP A 29 3.720 3.972 -13.339 1.00 0.00 C ATOM 404 OD1 ASP A 29 4.491 4.646 -14.052 1.00 0.00 O ATOM 405 OD2 ASP A 29 3.458 2.761 -13.528 1.00 0.00 O ATOM 0 H ASP A 29 5.149 5.637 -11.622 1.00 0.00 H new ATOM 0 HA ASP A 29 3.015 6.602 -13.109 1.00 0.00 H new ATOM 0 HB2 ASP A 29 3.296 4.198 -11.265 1.00 0.00 H new ATOM 0 HB3 ASP A 29 1.915 4.447 -12.315 1.00 0.00 H new ATOM 410 N ILE A 30 1.101 7.300 -11.586 1.00 0.00 N ATOM 411 CA ILE A 30 0.027 7.803 -10.739 1.00 0.00 C ATOM 412 C ILE A 30 -1.083 6.754 -10.713 1.00 0.00 C ATOM 413 O ILE A 30 -1.843 6.622 -11.673 1.00 0.00 O ATOM 414 CB ILE A 30 -0.456 9.201 -11.175 1.00 0.00 C ATOM 415 CG1 ILE A 30 -0.645 9.396 -12.696 1.00 0.00 C ATOM 416 CG2 ILE A 30 0.463 10.280 -10.583 1.00 0.00 C ATOM 417 CD1 ILE A 30 0.599 9.882 -13.454 1.00 0.00 C ATOM 0 H ILE A 30 0.917 7.410 -12.583 1.00 0.00 H new ATOM 0 HA ILE A 30 0.391 7.953 -9.723 1.00 0.00 H new ATOM 0 HB ILE A 30 -1.464 9.300 -10.771 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -0.968 8.450 -13.130 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -1.451 10.112 -12.857 1.00 0.00 H new ATOM 0 HG21 ILE A 30 0.116 11.265 -10.895 1.00 0.00 H new ATOM 0 HG22 ILE A 30 0.445 10.217 -9.495 1.00 0.00 H new ATOM 0 HG23 ILE A 30 1.482 10.125 -10.938 1.00 0.00 H new ATOM 0 HD11 ILE A 30 0.362 9.987 -14.513 1.00 0.00 H new ATOM 0 HD12 ILE A 30 0.914 10.846 -13.055 1.00 0.00 H new ATOM 0 HD13 ILE A 30 1.405 9.158 -13.333 1.00 0.00 H new ATOM 429 N LEU A 31 -1.129 5.961 -9.648 1.00 0.00 N ATOM 430 CA LEU A 31 -2.037 4.836 -9.503 1.00 0.00 C ATOM 431 C LEU A 31 -3.366 5.329 -8.923 1.00 0.00 C ATOM 432 O LEU A 31 -3.493 6.511 -8.606 1.00 0.00 O ATOM 433 CB LEU A 31 -1.412 3.777 -8.583 1.00 0.00 C ATOM 434 CG LEU A 31 0.108 3.593 -8.719 1.00 0.00 C ATOM 435 CD1 LEU A 31 0.619 2.685 -7.603 1.00 0.00 C ATOM 436 CD2 LEU A 31 0.479 3.010 -10.080 1.00 0.00 C ATOM 0 H LEU A 31 -0.518 6.089 -8.841 1.00 0.00 H new ATOM 0 HA LEU A 31 -2.219 4.384 -10.478 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -1.637 4.041 -7.550 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -1.895 2.820 -8.780 1.00 0.00 H new ATOM 0 HG LEU A 31 0.578 4.573 -8.636 1.00 0.00 H new ATOM 0 HD11 LEU A 31 1.697 2.557 -7.703 1.00 0.00 H new ATOM 0 HD12 LEU A 31 0.395 3.136 -6.636 1.00 0.00 H new ATOM 0 HD13 LEU A 31 0.130 1.713 -7.672 1.00 0.00 H new ATOM 0 HD21 LEU A 31 1.561 2.893 -10.143 1.00 0.00 H new ATOM 0 HD22 LEU A 31 0.001 2.038 -10.202 1.00 0.00 H new ATOM 0 HD23 LEU A 31 0.140 3.682 -10.868 1.00 0.00 H new ATOM 448 N THR A 32 -4.322 4.412 -8.743 1.00 0.00 N ATOM 449 CA THR A 32 -5.668 4.669 -8.246 1.00 0.00 C ATOM 450 C THR A 32 -5.909 3.708 -7.077 1.00 0.00 C ATOM 451 O THR A 32 -6.001 2.496 -7.279 1.00 0.00 O ATOM 452 CB THR A 32 -6.683 4.420 -9.377 1.00 0.00 C ATOM 453 OG1 THR A 32 -6.186 4.824 -10.639 1.00 0.00 O ATOM 454 CG2 THR A 32 -7.999 5.150 -9.098 1.00 0.00 C ATOM 0 H THR A 32 -4.166 3.426 -8.951 1.00 0.00 H new ATOM 0 HA THR A 32 -5.782 5.700 -7.912 1.00 0.00 H new ATOM 0 HB THR A 32 -6.858 3.345 -9.406 1.00 0.00 H new ATOM 0 HG1 THR A 32 -6.860 4.647 -11.328 1.00 0.00 H new ATOM 0 HG21 THR A 32 -8.700 4.959 -9.910 1.00 0.00 H new ATOM 0 HG22 THR A 32 -8.423 4.790 -8.161 1.00 0.00 H new ATOM 0 HG23 THR A 32 -7.812 6.221 -9.024 1.00 0.00 H new ATOM 462 N LEU A 33 -5.923 4.203 -5.845 1.00 0.00 N ATOM 463 CA LEU A 33 -5.858 3.344 -4.666 1.00 0.00 C ATOM 464 C LEU A 33 -7.242 2.758 -4.377 1.00 0.00 C ATOM 465 O LEU A 33 -8.207 3.502 -4.242 1.00 0.00 O ATOM 466 CB LEU A 33 -5.334 4.182 -3.496 1.00 0.00 C ATOM 467 CG LEU A 33 -5.362 3.471 -2.139 1.00 0.00 C ATOM 468 CD1 LEU A 33 -4.641 2.125 -2.157 1.00 0.00 C ATOM 469 CD2 LEU A 33 -4.661 4.362 -1.115 1.00 0.00 C ATOM 0 H LEU A 33 -5.979 5.200 -5.635 1.00 0.00 H new ATOM 0 HA LEU A 33 -5.181 2.505 -4.828 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -4.309 4.483 -3.712 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -5.926 5.094 -3.426 1.00 0.00 H new ATOM 0 HG LEU A 33 -6.407 3.288 -1.889 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -4.695 1.670 -1.168 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -5.116 1.468 -2.885 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -3.597 2.275 -2.431 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -4.670 3.873 -0.141 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -3.630 4.532 -1.426 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -5.182 5.317 -1.047 1.00 0.00 H new ATOM 481 N LEU A 34 -7.376 1.436 -4.329 1.00 0.00 N ATOM 482 CA LEU A 34 -8.665 0.783 -4.164 1.00 0.00 C ATOM 483 C LEU A 34 -8.916 0.517 -2.681 1.00 0.00 C ATOM 484 O LEU A 34 -10.021 0.732 -2.192 1.00 0.00 O ATOM 485 CB LEU A 34 -8.693 -0.506 -4.999 1.00 0.00 C ATOM 486 CG LEU A 34 -10.077 -1.166 -5.085 1.00 0.00 C ATOM 487 CD1 LEU A 34 -11.067 -0.333 -5.907 1.00 0.00 C ATOM 488 CD2 LEU A 34 -9.926 -2.533 -5.758 1.00 0.00 C ATOM 0 H LEU A 34 -6.591 0.789 -4.404 1.00 0.00 H new ATOM 0 HA LEU A 34 -9.468 1.427 -4.522 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -8.346 -0.281 -6.008 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -7.988 -1.219 -4.571 1.00 0.00 H new ATOM 0 HG LEU A 34 -10.467 -1.255 -4.071 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -12.031 -0.841 -5.939 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -11.188 0.647 -5.446 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -10.687 -0.212 -6.921 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -10.901 -3.015 -5.826 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -9.515 -2.402 -6.759 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -9.254 -3.157 -5.168 1.00 0.00 H new ATOM 500 N ASN A 35 -7.900 0.017 -1.975 1.00 0.00 N ATOM 501 CA ASN A 35 -8.031 -0.396 -0.584 1.00 0.00 C ATOM 502 C ASN A 35 -6.664 -0.384 0.096 1.00 0.00 C ATOM 503 O ASN A 35 -5.737 -1.005 -0.417 1.00 0.00 O ATOM 504 CB ASN A 35 -8.596 -1.823 -0.532 1.00 0.00 C ATOM 505 CG ASN A 35 -8.569 -2.348 0.892 1.00 0.00 C ATOM 506 OD1 ASN A 35 -8.304 -3.629 1.089 1.00 0.00 O flip ATOM 507 ND2 ASN A 35 -8.744 -1.578 1.832 1.00 0.00 N flip ATOM 0 H ASN A 35 -6.963 -0.112 -2.356 1.00 0.00 H new ATOM 0 HA ASN A 35 -8.699 0.294 -0.069 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -9.618 -1.831 -0.911 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -8.011 -2.477 -1.179 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -8.947 -0.594 1.654 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -8.686 -1.922 2.791 1.00 0.00 H new ATOM 514 N SER A 36 -6.522 0.292 1.238 1.00 0.00 N ATOM 515 CA SER A 36 -5.295 0.340 2.017 1.00 0.00 C ATOM 516 C SER A 36 -5.504 -0.294 3.392 1.00 0.00 C ATOM 517 O SER A 36 -5.200 0.308 4.423 1.00 0.00 O ATOM 518 CB SER A 36 -4.820 1.800 2.117 1.00 0.00 C ATOM 519 OG SER A 36 -5.909 2.652 2.413 1.00 0.00 O ATOM 0 H SER A 36 -7.280 0.834 1.653 1.00 0.00 H new ATOM 0 HA SER A 36 -4.517 -0.240 1.520 1.00 0.00 H new ATOM 0 HB2 SER A 36 -4.059 1.889 2.892 1.00 0.00 H new ATOM 0 HB3 SER A 36 -4.357 2.104 1.178 1.00 0.00 H new ATOM 0 HG SER A 36 -5.593 3.577 2.476 1.00 0.00 H new ATOM 525 N THR A 37 -6.008 -1.523 3.448 1.00 0.00 N ATOM 526 CA THR A 37 -6.137 -2.226 4.704 1.00 0.00 C ATOM 527 C THR A 37 -4.810 -2.279 5.459 1.00 0.00 C ATOM 528 O THR A 37 -4.754 -1.869 6.614 1.00 0.00 O ATOM 529 CB THR A 37 -6.733 -3.606 4.437 1.00 0.00 C ATOM 530 OG1 THR A 37 -7.991 -3.428 3.820 1.00 0.00 O ATOM 531 CG2 THR A 37 -6.937 -4.408 5.715 1.00 0.00 C ATOM 0 H THR A 37 -6.332 -2.046 2.634 1.00 0.00 H new ATOM 0 HA THR A 37 -6.817 -1.685 5.362 1.00 0.00 H new ATOM 0 HB THR A 37 -6.038 -4.158 3.804 1.00 0.00 H new ATOM 0 HG1 THR A 37 -7.964 -3.794 2.911 1.00 0.00 H new ATOM 0 HG21 THR A 37 -7.363 -5.381 5.470 1.00 0.00 H new ATOM 0 HG22 THR A 37 -5.978 -4.547 6.214 1.00 0.00 H new ATOM 0 HG23 THR A 37 -7.616 -3.871 6.377 1.00 0.00 H new ATOM 539 N ASN A 38 -3.765 -2.812 4.831 1.00 0.00 N ATOM 540 CA ASN A 38 -2.518 -3.110 5.522 1.00 0.00 C ATOM 541 C ASN A 38 -1.557 -1.939 5.382 1.00 0.00 C ATOM 542 O ASN A 38 -1.671 -1.140 4.454 1.00 0.00 O ATOM 543 CB ASN A 38 -1.886 -4.383 4.949 1.00 0.00 C ATOM 544 CG ASN A 38 -2.813 -5.578 5.119 1.00 0.00 C ATOM 545 OD1 ASN A 38 -3.640 -5.840 4.251 1.00 0.00 O ATOM 546 ND2 ASN A 38 -2.736 -6.291 6.230 1.00 0.00 N ATOM 0 H ASN A 38 -3.760 -3.047 3.838 1.00 0.00 H new ATOM 0 HA ASN A 38 -2.729 -3.271 6.579 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -1.664 -4.238 3.892 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -0.938 -4.580 5.450 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -3.371 -7.075 6.378 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -2.041 -6.057 6.939 1.00 0.00 H new ATOM 553 N LYS A 39 -0.577 -1.873 6.276 1.00 0.00 N ATOM 554 CA LYS A 39 0.556 -0.963 6.160 1.00 0.00 C ATOM 555 C LYS A 39 1.585 -1.495 5.154 1.00 0.00 C ATOM 556 O LYS A 39 2.617 -0.866 4.929 1.00 0.00 O ATOM 557 CB LYS A 39 1.201 -0.828 7.546 1.00 0.00 C ATOM 558 CG LYS A 39 0.260 -0.162 8.552 1.00 0.00 C ATOM 559 CD LYS A 39 0.937 -0.102 9.923 1.00 0.00 C ATOM 560 CE LYS A 39 -0.003 0.467 10.994 1.00 0.00 C ATOM 561 NZ LYS A 39 0.659 0.526 12.309 1.00 0.00 N ATOM 0 H LYS A 39 -0.547 -2.457 7.112 1.00 0.00 H new ATOM 0 HA LYS A 39 0.211 0.007 5.801 1.00 0.00 H new ATOM 0 HB2 LYS A 39 1.484 -1.815 7.912 1.00 0.00 H new ATOM 0 HB3 LYS A 39 2.117 -0.243 7.464 1.00 0.00 H new ATOM 0 HG2 LYS A 39 0.005 0.843 8.217 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -0.673 -0.722 8.619 1.00 0.00 H new ATOM 0 HD2 LYS A 39 1.258 -1.102 10.215 1.00 0.00 H new ATOM 0 HD3 LYS A 39 1.833 0.515 9.860 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -0.328 1.466 10.703 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -0.898 -0.152 11.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -0.001 0.915 13.013 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 0.947 -0.431 12.596 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 1.499 1.136 12.248 1.00 0.00 H new ATOM 575 N ASP A 40 1.360 -2.692 4.605 1.00 0.00 N ATOM 576 CA ASP A 40 2.368 -3.493 3.929 1.00 0.00 C ATOM 577 C ASP A 40 2.068 -3.570 2.442 1.00 0.00 C ATOM 578 O ASP A 40 2.955 -3.366 1.614 1.00 0.00 O ATOM 579 CB ASP A 40 2.362 -4.898 4.532 1.00 0.00 C ATOM 580 CG ASP A 40 2.645 -4.856 6.010 1.00 0.00 C ATOM 581 OD1 ASP A 40 1.696 -4.641 6.787 1.00 0.00 O ATOM 582 OD2 ASP A 40 3.835 -4.957 6.382 1.00 0.00 O ATOM 0 H ASP A 40 0.443 -3.138 4.623 1.00 0.00 H new ATOM 0 HA ASP A 40 3.348 -3.034 4.060 1.00 0.00 H new ATOM 0 HB2 ASP A 40 1.394 -5.368 4.357 1.00 0.00 H new ATOM 0 HB3 ASP A 40 3.110 -5.514 4.033 1.00 0.00 H new ATOM 587 N TRP A 41 0.824 -3.883 2.103 1.00 0.00 N ATOM 588 CA TRP A 41 0.362 -3.994 0.731 1.00 0.00 C ATOM 589 C TRP A 41 -0.966 -3.272 0.619 1.00 0.00 C ATOM 590 O TRP A 41 -1.882 -3.550 1.401 1.00 0.00 O ATOM 591 CB TRP A 41 0.225 -5.467 0.349 1.00 0.00 C ATOM 592 CG TRP A 41 1.514 -6.220 0.307 1.00 0.00 C ATOM 593 CD1 TRP A 41 2.127 -6.787 1.369 1.00 0.00 C ATOM 594 CD2 TRP A 41 2.407 -6.439 -0.826 1.00 0.00 C ATOM 595 NE1 TRP A 41 3.324 -7.331 0.976 1.00 0.00 N ATOM 596 CE2 TRP A 41 3.560 -7.150 -0.368 1.00 0.00 C ATOM 597 CE3 TRP A 41 2.368 -6.097 -2.192 1.00 0.00 C ATOM 598 CZ2 TRP A 41 4.615 -7.495 -1.224 1.00 0.00 C ATOM 599 CZ3 TRP A 41 3.417 -6.447 -3.063 1.00 0.00 C ATOM 600 CH2 TRP A 41 4.543 -7.134 -2.580 1.00 0.00 C ATOM 0 H TRP A 41 0.095 -4.070 2.791 1.00 0.00 H new ATOM 0 HA TRP A 41 1.077 -3.540 0.045 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -0.442 -5.953 1.061 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -0.251 -5.532 -0.629 1.00 0.00 H new ATOM 0 HD1 TRP A 41 1.734 -6.809 2.375 1.00 0.00 H new ATOM 0 HE1 TRP A 41 3.964 -7.813 1.607 1.00 0.00 H new ATOM 0 HE3 TRP A 41 1.517 -5.556 -2.578 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 5.473 -8.032 -0.846 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 3.356 -6.186 -4.109 1.00 0.00 H new ATOM 0 HH2 TRP A 41 5.352 -7.384 -3.250 1.00 0.00 H new ATOM 611 N TRP A 42 -1.073 -2.342 -0.324 1.00 0.00 N ATOM 612 CA TRP A 42 -2.332 -1.731 -0.702 1.00 0.00 C ATOM 613 C TRP A 42 -2.796 -2.408 -1.982 1.00 0.00 C ATOM 614 O TRP A 42 -1.964 -2.843 -2.776 1.00 0.00 O ATOM 615 CB TRP A 42 -2.107 -0.242 -0.945 1.00 0.00 C ATOM 616 CG TRP A 42 -1.785 0.600 0.251 1.00 0.00 C ATOM 617 CD1 TRP A 42 -1.805 0.220 1.551 1.00 0.00 C ATOM 618 CD2 TRP A 42 -1.370 1.995 0.252 1.00 0.00 C ATOM 619 NE1 TRP A 42 -1.437 1.286 2.347 1.00 0.00 N ATOM 620 CE2 TRP A 42 -1.122 2.397 1.595 1.00 0.00 C ATOM 621 CE3 TRP A 42 -1.166 2.954 -0.757 1.00 0.00 C ATOM 622 CZ2 TRP A 42 -0.664 3.684 1.914 1.00 0.00 C ATOM 623 CZ3 TRP A 42 -0.720 4.253 -0.450 1.00 0.00 C ATOM 624 CH2 TRP A 42 -0.461 4.613 0.884 1.00 0.00 C ATOM 0 H TRP A 42 -0.274 -1.990 -0.851 1.00 0.00 H new ATOM 0 HA TRP A 42 -3.083 -1.847 0.080 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -1.295 -0.135 -1.664 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -3.003 0.164 -1.414 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -2.068 -0.764 1.909 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -1.402 1.255 3.366 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -1.355 2.688 -1.787 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -0.470 3.956 2.941 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -0.576 4.975 -1.241 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -0.105 5.606 1.116 1.00 0.00 H new ATOM 635 N LYS A 43 -4.108 -2.531 -2.163 1.00 0.00 N ATOM 636 CA LYS A 43 -4.701 -2.986 -3.404 1.00 0.00 C ATOM 637 C LYS A 43 -5.040 -1.729 -4.197 1.00 0.00 C ATOM 638 O LYS A 43 -5.698 -0.827 -3.659 1.00 0.00 O ATOM 639 CB LYS A 43 -5.939 -3.838 -3.118 1.00 0.00 C ATOM 640 CG LYS A 43 -6.200 -4.856 -4.234 1.00 0.00 C ATOM 641 CD LYS A 43 -7.456 -5.643 -3.862 1.00 0.00 C ATOM 642 CE LYS A 43 -7.980 -6.551 -4.985 1.00 0.00 C ATOM 643 NZ LYS A 43 -7.065 -7.648 -5.340 1.00 0.00 N ATOM 0 H LYS A 43 -4.793 -2.313 -1.439 1.00 0.00 H new ATOM 0 HA LYS A 43 -4.023 -3.620 -3.975 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -5.809 -4.362 -2.171 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -6.808 -3.190 -3.007 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -6.335 -4.349 -5.190 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -5.348 -5.527 -4.347 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -7.243 -6.254 -2.985 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -8.241 -4.942 -3.579 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -8.937 -6.974 -4.680 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -8.167 -5.945 -5.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -6.635 -7.455 -6.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -6.317 -7.723 -4.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -7.595 -8.542 -5.383 1.00 0.00 H new ATOM 657 N VAL A 44 -4.584 -1.628 -5.439 1.00 0.00 N ATOM 658 CA VAL A 44 -4.794 -0.457 -6.271 1.00 0.00 C ATOM 659 C VAL A 44 -5.218 -0.904 -7.660 1.00 0.00 C ATOM 660 O VAL A 44 -4.798 -1.959 -8.121 1.00 0.00 O ATOM 661 CB VAL A 44 -3.587 0.503 -6.255 1.00 0.00 C ATOM 662 CG1 VAL A 44 -2.712 0.381 -5.006 1.00 0.00 C ATOM 663 CG2 VAL A 44 -2.705 0.407 -7.488 1.00 0.00 C ATOM 0 H VAL A 44 -4.052 -2.367 -5.899 1.00 0.00 H new ATOM 0 HA VAL A 44 -5.605 0.142 -5.857 1.00 0.00 H new ATOM 0 HB VAL A 44 -4.061 1.484 -6.248 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -1.885 1.088 -5.070 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -3.309 0.600 -4.121 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -2.318 -0.633 -4.936 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -1.879 1.113 -7.400 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -2.310 -0.605 -7.575 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -3.293 0.644 -8.375 1.00 0.00 H new ATOM 673 N GLU A 45 -6.109 -0.127 -8.257 1.00 0.00 N ATOM 674 CA GLU A 45 -6.645 -0.298 -9.591 1.00 0.00 C ATOM 675 C GLU A 45 -5.693 0.432 -10.534 1.00 0.00 C ATOM 676 O GLU A 45 -5.972 1.566 -10.933 1.00 0.00 O ATOM 677 CB GLU A 45 -8.057 0.296 -9.575 1.00 0.00 C ATOM 678 CG GLU A 45 -8.848 0.055 -10.860 1.00 0.00 C ATOM 679 CD GLU A 45 -10.191 0.719 -10.706 1.00 0.00 C ATOM 680 OE1 GLU A 45 -10.212 1.968 -10.659 1.00 0.00 O ATOM 681 OE2 GLU A 45 -11.178 0.003 -10.485 1.00 0.00 O ATOM 0 H GLU A 45 -6.499 0.691 -7.789 1.00 0.00 H new ATOM 0 HA GLU A 45 -6.721 -1.334 -9.921 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -8.609 -0.128 -8.736 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -7.986 1.370 -9.400 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -8.316 0.465 -11.719 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -8.969 -1.013 -11.040 1.00 0.00 H new ATOM 688 N VAL A 46 -4.546 -0.176 -10.808 1.00 0.00 N ATOM 689 CA VAL A 46 -3.577 0.384 -11.734 1.00 0.00 C ATOM 690 C VAL A 46 -4.013 -0.004 -13.145 1.00 0.00 C ATOM 691 O VAL A 46 -4.033 -1.184 -13.502 1.00 0.00 O ATOM 692 CB VAL A 46 -2.138 -0.011 -11.351 1.00 0.00 C ATOM 693 CG1 VAL A 46 -1.927 -1.507 -11.128 1.00 0.00 C ATOM 694 CG2 VAL A 46 -1.129 0.477 -12.398 1.00 0.00 C ATOM 0 H VAL A 46 -4.265 -1.066 -10.396 1.00 0.00 H new ATOM 0 HA VAL A 46 -3.554 1.473 -11.688 1.00 0.00 H new ATOM 0 HB VAL A 46 -1.970 0.483 -10.394 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -0.886 -1.692 -10.863 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -2.574 -1.849 -10.320 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -2.170 -2.049 -12.042 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -0.123 0.183 -12.099 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -1.365 0.033 -13.365 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -1.181 1.563 -12.475 1.00 0.00 H new ATOM 704 N ASN A 47 -4.396 0.992 -13.941 1.00 0.00 N ATOM 705 CA ASN A 47 -4.981 0.835 -15.262 1.00 0.00 C ATOM 706 C ASN A 47 -6.336 0.159 -15.111 1.00 0.00 C ATOM 707 O ASN A 47 -7.362 0.830 -14.986 1.00 0.00 O ATOM 708 CB ASN A 47 -4.043 0.104 -16.248 1.00 0.00 C ATOM 709 CG ASN A 47 -2.761 0.888 -16.503 1.00 0.00 C ATOM 710 OD1 ASN A 47 -2.816 2.043 -16.916 1.00 0.00 O ATOM 711 ND2 ASN A 47 -1.600 0.292 -16.254 1.00 0.00 N ATOM 0 H ASN A 47 -4.301 1.970 -13.667 1.00 0.00 H new ATOM 0 HA ASN A 47 -5.126 1.818 -15.711 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -3.794 -0.879 -15.850 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -4.564 -0.057 -17.192 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -0.726 0.795 -16.405 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -1.583 -0.669 -15.911 1.00 0.00 H new ATOM 718 N ASP A 48 -6.336 -1.166 -15.085 1.00 0.00 N ATOM 719 CA ASP A 48 -7.479 -2.043 -14.905 1.00 0.00 C ATOM 720 C ASP A 48 -7.226 -3.047 -13.778 1.00 0.00 C ATOM 721 O ASP A 48 -8.184 -3.582 -13.217 1.00 0.00 O ATOM 722 CB ASP A 48 -7.757 -2.811 -16.202 1.00 0.00 C ATOM 723 CG ASP A 48 -6.694 -3.856 -16.470 1.00 0.00 C ATOM 724 OD1 ASP A 48 -5.566 -3.477 -16.835 1.00 0.00 O ATOM 725 OD2 ASP A 48 -6.983 -5.055 -16.292 1.00 0.00 O ATOM 0 H ASP A 48 -5.470 -1.694 -15.198 1.00 0.00 H new ATOM 0 HA ASP A 48 -8.339 -1.426 -14.644 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -8.733 -3.292 -16.139 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -7.800 -2.112 -17.037 1.00 0.00 H new ATOM 730 N ARG A 49 -5.962 -3.352 -13.497 1.00 0.00 N ATOM 731 CA ARG A 49 -5.581 -4.400 -12.583 1.00 0.00 C ATOM 732 C ARG A 49 -5.709 -3.893 -11.155 1.00 0.00 C ATOM 733 O ARG A 49 -4.973 -3.007 -10.722 1.00 0.00 O ATOM 734 CB ARG A 49 -4.161 -4.842 -12.918 1.00 0.00 C ATOM 735 CG ARG A 49 -4.116 -5.540 -14.288 1.00 0.00 C ATOM 736 CD ARG A 49 -2.760 -6.216 -14.498 1.00 0.00 C ATOM 737 NE ARG A 49 -2.543 -7.258 -13.494 1.00 0.00 N ATOM 738 CZ ARG A 49 -1.393 -7.913 -13.289 1.00 0.00 C ATOM 739 NH1 ARG A 49 -0.352 -7.690 -14.093 1.00 0.00 N ATOM 740 NH2 ARG A 49 -1.281 -8.754 -12.263 1.00 0.00 N ATOM 0 H ARG A 49 -5.168 -2.864 -13.910 1.00 0.00 H new ATOM 0 HA ARG A 49 -6.236 -5.266 -12.679 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -3.498 -3.977 -12.923 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -3.795 -5.520 -12.147 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -4.913 -6.281 -14.352 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -4.293 -4.812 -15.080 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -2.715 -6.651 -15.497 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -1.964 -5.474 -14.437 1.00 0.00 H new ATOM 0 HE ARG A 49 -3.334 -7.506 -12.900 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -0.434 -7.023 -14.860 1.00 0.00 H new ATOM 0 HH12 ARG A 49 0.526 -8.187 -13.940 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -2.071 -8.899 -11.634 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -0.406 -9.253 -12.106 1.00 0.00 H new ATOM 754 N GLN A 50 -6.686 -4.439 -10.445 1.00 0.00 N ATOM 755 CA GLN A 50 -6.955 -4.227 -9.037 1.00 0.00 C ATOM 756 C GLN A 50 -6.084 -5.213 -8.269 1.00 0.00 C ATOM 757 O GLN A 50 -6.581 -6.221 -7.752 1.00 0.00 O ATOM 758 CB GLN A 50 -8.448 -4.430 -8.764 1.00 0.00 C ATOM 759 CG GLN A 50 -9.288 -3.364 -9.482 1.00 0.00 C ATOM 760 CD GLN A 50 -10.777 -3.580 -9.272 1.00 0.00 C ATOM 761 OE1 GLN A 50 -11.211 -4.686 -8.964 1.00 0.00 O ATOM 762 NE2 GLN A 50 -11.608 -2.571 -9.469 1.00 0.00 N ATOM 0 H GLN A 50 -7.353 -5.084 -10.869 1.00 0.00 H new ATOM 0 HA GLN A 50 -6.716 -3.212 -8.720 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -8.751 -5.422 -9.098 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -8.635 -4.384 -7.691 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -9.009 -2.376 -9.117 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -9.065 -3.384 -10.549 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -11.244 -1.653 -9.725 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -12.613 -2.710 -9.365 1.00 0.00 H new ATOM 771 N GLY A 51 -4.779 -4.980 -8.266 1.00 0.00 N ATOM 772 CA GLY A 51 -3.798 -5.896 -7.710 1.00 0.00 C ATOM 773 C GLY A 51 -3.077 -5.243 -6.544 1.00 0.00 C ATOM 774 O GLY A 51 -3.317 -4.072 -6.241 1.00 0.00 O ATOM 0 H GLY A 51 -4.367 -4.133 -8.657 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -4.290 -6.810 -7.378 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -3.079 -6.182 -8.478 1.00 0.00 H new ATOM 778 N PHE A 52 -2.213 -5.994 -5.864 1.00 0.00 N ATOM 779 CA PHE A 52 -1.477 -5.486 -4.715 1.00 0.00 C ATOM 780 C PHE A 52 -0.138 -4.858 -5.115 1.00 0.00 C ATOM 781 O PHE A 52 0.598 -5.434 -5.915 1.00 0.00 O ATOM 782 CB PHE A 52 -1.287 -6.588 -3.674 1.00 0.00 C ATOM 783 CG PHE A 52 -2.589 -7.000 -3.026 1.00 0.00 C ATOM 784 CD1 PHE A 52 -3.162 -6.188 -2.026 1.00 0.00 C ATOM 785 CD2 PHE A 52 -3.243 -8.174 -3.433 1.00 0.00 C ATOM 786 CE1 PHE A 52 -4.369 -6.569 -1.420 1.00 0.00 C ATOM 787 CE2 PHE A 52 -4.468 -8.534 -2.851 1.00 0.00 C ATOM 788 CZ PHE A 52 -5.033 -7.729 -1.849 1.00 0.00 C ATOM 0 H PHE A 52 -2.006 -6.966 -6.094 1.00 0.00 H new ATOM 0 HA PHE A 52 -2.072 -4.689 -4.270 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -0.829 -7.456 -4.148 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -0.595 -6.243 -2.906 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -2.672 -5.273 -1.726 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -2.803 -8.800 -4.195 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -4.787 -5.970 -0.624 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -4.976 -9.431 -3.174 1.00 0.00 H new ATOM 0 HZ PHE A 52 -5.980 -8.003 -1.408 1.00 0.00 H new ATOM 798 N VAL A 53 0.184 -3.710 -4.512 1.00 0.00 N ATOM 799 CA VAL A 53 1.470 -3.033 -4.627 1.00 0.00 C ATOM 800 C VAL A 53 2.051 -2.865 -3.214 1.00 0.00 C ATOM 801 O VAL A 53 1.270 -2.737 -2.265 1.00 0.00 O ATOM 802 CB VAL A 53 1.311 -1.668 -5.322 1.00 0.00 C ATOM 803 CG1 VAL A 53 0.548 -1.813 -6.645 1.00 0.00 C ATOM 804 CG2 VAL A 53 0.634 -0.616 -4.436 1.00 0.00 C ATOM 0 H VAL A 53 -0.471 -3.212 -3.909 1.00 0.00 H new ATOM 0 HA VAL A 53 2.149 -3.627 -5.239 1.00 0.00 H new ATOM 0 HB VAL A 53 2.321 -1.312 -5.524 1.00 0.00 H new ATOM 0 HG11 VAL A 53 0.449 -0.835 -7.117 1.00 0.00 H new ATOM 0 HG12 VAL A 53 1.095 -2.482 -7.309 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -0.442 -2.224 -6.451 1.00 0.00 H new ATOM 0 HG21 VAL A 53 0.552 0.323 -4.984 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -0.361 -0.961 -4.157 1.00 0.00 H new ATOM 0 HG23 VAL A 53 1.229 -0.460 -3.536 1.00 0.00 H new ATOM 814 N PRO A 54 3.382 -2.869 -3.034 1.00 0.00 N ATOM 815 CA PRO A 54 3.995 -2.577 -1.751 1.00 0.00 C ATOM 816 C PRO A 54 3.566 -1.195 -1.262 1.00 0.00 C ATOM 817 O PRO A 54 3.877 -0.191 -1.903 1.00 0.00 O ATOM 818 CB PRO A 54 5.513 -2.629 -1.979 1.00 0.00 C ATOM 819 CG PRO A 54 5.644 -3.533 -3.198 1.00 0.00 C ATOM 820 CD PRO A 54 4.404 -3.182 -4.019 1.00 0.00 C ATOM 0 HA PRO A 54 3.690 -3.294 -0.989 1.00 0.00 H new ATOM 0 HB2 PRO A 54 5.928 -1.638 -2.165 1.00 0.00 H new ATOM 0 HB3 PRO A 54 6.037 -3.037 -1.115 1.00 0.00 H new ATOM 0 HG2 PRO A 54 6.563 -3.336 -3.750 1.00 0.00 H new ATOM 0 HG3 PRO A 54 5.659 -4.587 -2.920 1.00 0.00 H new ATOM 0 HD2 PRO A 54 4.592 -2.333 -4.677 1.00 0.00 H new ATOM 0 HD3 PRO A 54 4.100 -4.015 -4.653 1.00 0.00 H new ATOM 828 N ALA A 55 2.879 -1.126 -0.124 1.00 0.00 N ATOM 829 CA ALA A 55 2.471 0.131 0.484 1.00 0.00 C ATOM 830 C ALA A 55 3.671 1.030 0.792 1.00 0.00 C ATOM 831 O ALA A 55 3.513 2.244 0.926 1.00 0.00 O ATOM 832 CB ALA A 55 1.686 -0.150 1.758 1.00 0.00 C ATOM 0 H ALA A 55 2.589 -1.949 0.404 1.00 0.00 H new ATOM 0 HA ALA A 55 1.840 0.662 -0.229 1.00 0.00 H new ATOM 0 HB1 ALA A 55 1.381 0.792 2.213 1.00 0.00 H new ATOM 0 HB2 ALA A 55 0.802 -0.740 1.518 1.00 0.00 H new ATOM 0 HB3 ALA A 55 2.313 -0.704 2.457 1.00 0.00 H new ATOM 838 N ALA A 56 4.871 0.461 0.915 1.00 0.00 N ATOM 839 CA ALA A 56 6.077 1.257 1.067 1.00 0.00 C ATOM 840 C ALA A 56 6.332 2.106 -0.179 1.00 0.00 C ATOM 841 O ALA A 56 6.843 3.218 -0.083 1.00 0.00 O ATOM 842 CB ALA A 56 7.277 0.342 1.306 1.00 0.00 C ATOM 0 H ALA A 56 5.028 -0.547 0.912 1.00 0.00 H new ATOM 0 HA ALA A 56 5.940 1.920 1.922 1.00 0.00 H new ATOM 0 HB1 ALA A 56 8.178 0.945 1.419 1.00 0.00 H new ATOM 0 HB2 ALA A 56 7.115 -0.241 2.212 1.00 0.00 H new ATOM 0 HB3 ALA A 56 7.396 -0.332 0.457 1.00 0.00 H new ATOM 848 N TYR A 57 6.081 1.554 -1.365 1.00 0.00 N ATOM 849 CA TYR A 57 6.568 2.145 -2.605 1.00 0.00 C ATOM 850 C TYR A 57 5.550 3.105 -3.212 1.00 0.00 C ATOM 851 O TYR A 57 5.590 3.348 -4.412 1.00 0.00 O ATOM 852 CB TYR A 57 6.937 1.034 -3.601 1.00 0.00 C ATOM 853 CG TYR A 57 7.998 0.031 -3.180 1.00 0.00 C ATOM 854 CD1 TYR A 57 8.854 0.249 -2.078 1.00 0.00 C ATOM 855 CD2 TYR A 57 8.163 -1.125 -3.963 1.00 0.00 C ATOM 856 CE1 TYR A 57 9.832 -0.699 -1.751 1.00 0.00 C ATOM 857 CE2 TYR A 57 9.137 -2.076 -3.625 1.00 0.00 C ATOM 858 CZ TYR A 57 9.968 -1.869 -2.513 1.00 0.00 C ATOM 859 OH TYR A 57 10.993 -2.723 -2.240 1.00 0.00 O ATOM 0 H TYR A 57 5.542 0.697 -1.491 1.00 0.00 H new ATOM 0 HA TYR A 57 7.459 2.729 -2.377 1.00 0.00 H new ATOM 0 HB2 TYR A 57 6.028 0.481 -3.838 1.00 0.00 H new ATOM 0 HB3 TYR A 57 7.271 1.508 -4.524 1.00 0.00 H new ATOM 0 HD1 TYR A 57 8.754 1.147 -1.487 1.00 0.00 H new ATOM 0 HD2 TYR A 57 7.537 -1.281 -4.829 1.00 0.00 H new ATOM 0 HE1 TYR A 57 10.485 -0.528 -0.908 1.00 0.00 H new ATOM 0 HE2 TYR A 57 9.248 -2.969 -4.222 1.00 0.00 H new ATOM 0 HH TYR A 57 10.953 -3.488 -2.852 1.00 0.00 H new ATOM 869 N VAL A 58 4.657 3.674 -2.406 1.00 0.00 N ATOM 870 CA VAL A 58 3.611 4.568 -2.866 1.00 0.00 C ATOM 871 C VAL A 58 3.485 5.725 -1.882 1.00 0.00 C ATOM 872 O VAL A 58 3.659 5.526 -0.676 1.00 0.00 O ATOM 873 CB VAL A 58 2.285 3.803 -3.037 1.00 0.00 C ATOM 874 CG1 VAL A 58 2.298 2.963 -4.320 1.00 0.00 C ATOM 875 CG2 VAL A 58 1.995 2.872 -1.854 1.00 0.00 C ATOM 0 H VAL A 58 4.644 3.520 -1.398 1.00 0.00 H new ATOM 0 HA VAL A 58 3.867 4.974 -3.845 1.00 0.00 H new ATOM 0 HB VAL A 58 1.503 4.560 -3.090 1.00 0.00 H new ATOM 0 HG11 VAL A 58 1.351 2.433 -4.417 1.00 0.00 H new ATOM 0 HG12 VAL A 58 2.438 3.616 -5.181 1.00 0.00 H new ATOM 0 HG13 VAL A 58 3.114 2.242 -4.275 1.00 0.00 H new ATOM 0 HG21 VAL A 58 1.050 2.355 -2.021 1.00 0.00 H new ATOM 0 HG22 VAL A 58 2.798 2.140 -1.762 1.00 0.00 H new ATOM 0 HG23 VAL A 58 1.931 3.458 -0.937 1.00 0.00 H new ATOM 885 N LYS A 59 3.215 6.927 -2.385 1.00 0.00 N ATOM 886 CA LYS A 59 2.954 8.119 -1.592 1.00 0.00 C ATOM 887 C LYS A 59 1.615 8.684 -2.057 1.00 0.00 C ATOM 888 O LYS A 59 1.445 8.918 -3.256 1.00 0.00 O ATOM 889 CB LYS A 59 4.110 9.116 -1.791 1.00 0.00 C ATOM 890 CG LYS A 59 3.991 10.395 -0.952 1.00 0.00 C ATOM 891 CD LYS A 59 3.233 11.526 -1.663 1.00 0.00 C ATOM 892 CE LYS A 59 2.985 12.689 -0.687 1.00 0.00 C ATOM 893 NZ LYS A 59 1.983 13.647 -1.179 1.00 0.00 N ATOM 0 H LYS A 59 3.171 7.101 -3.389 1.00 0.00 H new ATOM 0 HA LYS A 59 2.897 7.902 -0.525 1.00 0.00 H new ATOM 0 HB2 LYS A 59 5.049 8.620 -1.545 1.00 0.00 H new ATOM 0 HB3 LYS A 59 4.161 9.390 -2.845 1.00 0.00 H new ATOM 0 HG2 LYS A 59 3.483 10.160 -0.016 1.00 0.00 H new ATOM 0 HG3 LYS A 59 4.990 10.745 -0.693 1.00 0.00 H new ATOM 0 HD2 LYS A 59 3.807 11.876 -2.521 1.00 0.00 H new ATOM 0 HD3 LYS A 59 2.283 11.153 -2.046 1.00 0.00 H new ATOM 0 HE2 LYS A 59 2.656 12.288 0.272 1.00 0.00 H new ATOM 0 HE3 LYS A 59 3.924 13.213 -0.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 1.845 14.398 -0.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 2.313 14.067 -2.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 1.081 13.154 -1.340 1.00 0.00 H new ATOM 907 N LYS A 60 0.671 8.895 -1.143 1.00 0.00 N ATOM 908 CA LYS A 60 -0.622 9.454 -1.504 1.00 0.00 C ATOM 909 C LYS A 60 -0.501 10.911 -1.936 1.00 0.00 C ATOM 910 O LYS A 60 -0.003 11.748 -1.182 1.00 0.00 O ATOM 911 CB LYS A 60 -1.614 9.335 -0.346 1.00 0.00 C ATOM 912 CG LYS A 60 -1.917 7.869 -0.012 1.00 0.00 C ATOM 913 CD LYS A 60 -3.425 7.631 0.104 1.00 0.00 C ATOM 914 CE LYS A 60 -4.036 8.398 1.286 1.00 0.00 C ATOM 915 NZ LYS A 60 -5.405 8.847 0.983 1.00 0.00 N ATOM 0 H LYS A 60 0.780 8.687 -0.150 1.00 0.00 H new ATOM 0 HA LYS A 60 -0.996 8.876 -2.349 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -1.208 9.833 0.534 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -2.540 9.849 -0.605 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -1.502 7.223 -0.786 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -1.430 7.598 0.925 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -3.913 7.939 -0.820 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -3.616 6.565 0.225 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -4.048 7.760 2.169 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -3.413 9.260 1.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -5.765 9.419 1.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -5.398 9.420 0.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -6.020 8.019 0.847 1.00 0.00 H new ATOM 929 N LEU A 61 -1.011 11.229 -3.118 1.00 0.00 N ATOM 930 CA LEU A 61 -1.192 12.609 -3.519 1.00 0.00 C ATOM 931 C LEU A 61 -2.462 13.106 -2.834 1.00 0.00 C ATOM 932 O LEU A 61 -2.477 14.208 -2.288 1.00 0.00 O ATOM 933 CB LEU A 61 -1.304 12.725 -5.043 1.00 0.00 C ATOM 934 CG LEU A 61 -0.087 12.166 -5.800 1.00 0.00 C ATOM 935 CD1 LEU A 61 -0.311 12.338 -7.303 1.00 0.00 C ATOM 936 CD2 LEU A 61 1.214 12.874 -5.399 1.00 0.00 C ATOM 0 H LEU A 61 -1.306 10.545 -3.815 1.00 0.00 H new ATOM 0 HA LEU A 61 -0.335 13.215 -3.224 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -2.199 12.198 -5.373 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -1.435 13.774 -5.309 1.00 0.00 H new ATOM 0 HG LEU A 61 0.014 11.112 -5.542 1.00 0.00 H new ATOM 0 HD11 LEU A 61 0.548 11.944 -7.846 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -1.209 11.797 -7.601 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -0.432 13.396 -7.534 1.00 0.00 H new ATOM 0 HD21 LEU A 61 2.047 12.448 -5.958 1.00 0.00 H new ATOM 0 HD22 LEU A 61 1.133 13.938 -5.623 1.00 0.00 H new ATOM 0 HD23 LEU A 61 1.387 12.740 -4.331 1.00 0.00 H new ATOM 948 N ASP A 62 -3.515 12.284 -2.845 1.00 0.00 N ATOM 949 CA ASP A 62 -4.801 12.639 -2.269 1.00 0.00 C ATOM 950 C ASP A 62 -4.897 12.055 -0.871 1.00 0.00 C ATOM 951 O ASP A 62 -4.574 12.770 0.097 1.00 0.00 O ATOM 952 CB ASP A 62 -5.947 12.131 -3.156 1.00 0.00 C ATOM 953 CG ASP A 62 -5.902 12.730 -4.535 1.00 0.00 C ATOM 954 OD1 ASP A 62 -5.855 13.974 -4.640 1.00 0.00 O ATOM 955 OD2 ASP A 62 -5.904 11.961 -5.516 1.00 0.00 O ATOM 956 OXT ASP A 62 -5.358 10.905 -0.725 1.00 0.00 O ATOM 0 H ASP A 62 -3.492 11.351 -3.257 1.00 0.00 H new ATOM 0 HA ASP A 62 -4.886 13.724 -2.209 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -5.893 11.045 -3.231 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -6.901 12.371 -2.688 1.00 0.00 H new TER 961 ASP A 62