USER MOD reduce.3.24.130724 H: found=0, std=0, add=469, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 469 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 11 ASN : amide:sc= 0.98 K(o=0.98,f=-17!) USER MOD Set 1.2: A 64 LYS NZ :NH3+ -124:sc=0.000256! (180deg=0) USER MOD Set 2.1: A 35 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 ALA N :NH3+ 178:sc= -5.28! (180deg=-5.42!) USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ -112:sc= -0.547 (180deg=-2.61!) USER MOD Single : A 10 HIS : no HD1:sc= -3.54! C(o=-3.5!,f=-4.3!) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot -114:sc= 1.4 USER MOD Single : A 22 SER OG : rot 86:sc= -0.686! USER MOD Single : A 23 TYR OH : rot 180:sc= -0.0821 USER MOD Single : A 25 ASN :FLIP amide:sc= -1.65 F(o=-6.3!,f=-1.7) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0202) USER MOD Single : A 31 ASN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 GLN :FLIP amide:sc= 0 F(o=-1.1!,f=0) USER MOD Single : A 43 THR OG1 : rot 104:sc= 0.295! USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 ASN : amide:sc= -2.31 K(o=-2.3,f=-2.9!) USER MOD Single : A 56 ASN : amide:sc=-0.00545 K(o=-0.0055,f=-1.5!) USER MOD Single : A 66 HIS : no HD1:sc= -1.87 X(o=-1.9,f=-1.9) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -1.877 10.582 2.866 1.00 0.00 N ATOM 2 CA ALA A 1 -3.082 9.743 3.118 1.00 0.00 C ATOM 3 C ALA A 1 -2.671 8.470 3.862 1.00 0.00 C ATOM 4 O ALA A 1 -1.533 8.318 4.264 1.00 0.00 O ATOM 5 CB ALA A 1 -3.728 9.368 1.783 1.00 0.00 C ATOM 0 H1 ALA A 1 -2.151 11.431 2.331 1.00 0.00 H new ATOM 0 H2 ALA A 1 -1.456 10.866 3.773 1.00 0.00 H new ATOM 0 H3 ALA A 1 -1.182 10.036 2.317 1.00 0.00 H new ATOM 0 HA ALA A 1 -3.795 10.302 3.723 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -4.610 8.754 1.965 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -4.020 10.274 1.253 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -3.015 8.808 1.178 1.00 0.00 H new ATOM 13 N ARG A 2 -3.587 7.556 4.049 1.00 0.00 N ATOM 14 CA ARG A 2 -3.251 6.292 4.769 1.00 0.00 C ATOM 15 C ARG A 2 -3.654 5.091 3.911 1.00 0.00 C ATOM 16 O ARG A 2 -4.749 5.028 3.389 1.00 0.00 O ATOM 17 CB ARG A 2 -4.015 6.239 6.093 1.00 0.00 C ATOM 18 CG ARG A 2 -3.597 4.992 6.874 1.00 0.00 C ATOM 19 CD ARG A 2 -4.442 4.879 8.142 1.00 0.00 C ATOM 20 NE ARG A 2 -3.939 3.755 8.981 1.00 0.00 N ATOM 21 CZ ARG A 2 -4.495 3.503 10.134 1.00 0.00 C ATOM 22 NH1 ARG A 2 -5.493 4.235 10.549 1.00 0.00 N ATOM 23 NH2 ARG A 2 -4.054 2.521 10.872 1.00 0.00 N ATOM 0 H ARG A 2 -4.554 7.630 3.734 1.00 0.00 H new ATOM 0 HA ARG A 2 -2.179 6.263 4.962 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -3.809 7.134 6.680 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -5.089 6.220 5.905 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -3.727 4.103 6.257 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -2.540 5.049 7.133 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -4.399 5.812 8.704 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -5.487 4.712 7.881 1.00 0.00 H new ATOM 0 HE ARG A 2 -3.160 3.183 8.654 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -5.837 5.003 9.972 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -5.929 4.039 11.450 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -3.274 1.950 10.547 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -4.489 2.325 11.773 1.00 0.00 H new ATOM 37 N ASP A 3 -2.779 4.136 3.765 1.00 0.00 N ATOM 38 CA ASP A 3 -3.115 2.941 2.946 1.00 0.00 C ATOM 39 C ASP A 3 -3.512 1.791 3.868 1.00 0.00 C ATOM 40 O ASP A 3 -2.957 1.622 4.937 1.00 0.00 O ATOM 41 CB ASP A 3 -1.895 2.522 2.131 1.00 0.00 C ATOM 42 CG ASP A 3 -1.502 3.649 1.177 1.00 0.00 C ATOM 43 OD1 ASP A 3 -2.325 4.520 0.946 1.00 0.00 O ATOM 44 OD2 ASP A 3 -0.383 3.625 0.692 1.00 0.00 O ATOM 0 H ASP A 3 -1.846 4.132 4.178 1.00 0.00 H new ATOM 0 HA ASP A 3 -3.941 3.183 2.277 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -1.064 2.289 2.796 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -2.116 1.616 1.567 1.00 0.00 H new ATOM 49 N ALA A 4 -4.458 0.990 3.457 1.00 0.00 N ATOM 50 CA ALA A 4 -4.886 -0.155 4.303 1.00 0.00 C ATOM 51 C ALA A 4 -4.356 -1.455 3.698 1.00 0.00 C ATOM 52 O ALA A 4 -3.323 -1.957 4.092 1.00 0.00 O ATOM 53 CB ALA A 4 -6.415 -0.204 4.359 1.00 0.00 C ATOM 0 H ALA A 4 -4.952 1.082 2.570 1.00 0.00 H new ATOM 0 HA ALA A 4 -4.490 -0.033 5.311 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -6.730 -1.043 4.979 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -6.793 0.725 4.786 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -6.812 -0.328 3.352 1.00 0.00 H new ATOM 59 N TYR A 5 -5.056 -2.005 2.746 1.00 0.00 N ATOM 60 CA TYR A 5 -4.590 -3.275 2.120 1.00 0.00 C ATOM 61 C TYR A 5 -3.896 -2.966 0.791 1.00 0.00 C ATOM 62 O TYR A 5 -3.006 -3.675 0.363 1.00 0.00 O ATOM 63 CB TYR A 5 -5.797 -4.179 1.861 1.00 0.00 C ATOM 64 CG TYR A 5 -6.758 -4.078 3.020 1.00 0.00 C ATOM 65 CD1 TYR A 5 -6.408 -4.602 4.270 1.00 0.00 C ATOM 66 CD2 TYR A 5 -7.999 -3.457 2.844 1.00 0.00 C ATOM 67 CE1 TYR A 5 -7.301 -4.505 5.344 1.00 0.00 C ATOM 68 CE2 TYR A 5 -8.893 -3.360 3.918 1.00 0.00 C ATOM 69 CZ TYR A 5 -8.543 -3.884 5.168 1.00 0.00 C ATOM 70 OH TYR A 5 -9.424 -3.789 6.227 1.00 0.00 O ATOM 0 H TYR A 5 -5.929 -1.631 2.374 1.00 0.00 H new ATOM 0 HA TYR A 5 -3.889 -3.776 2.788 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -6.293 -3.885 0.936 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -5.471 -5.211 1.734 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -5.450 -5.081 4.406 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -8.268 -3.052 1.880 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -7.031 -4.909 6.308 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -9.852 -2.881 3.782 1.00 0.00 H new ATOM 0 HH TYR A 5 -10.238 -3.329 5.935 1.00 0.00 H new ATOM 80 N ILE A 6 -4.304 -1.911 0.136 1.00 0.00 N ATOM 81 CA ILE A 6 -3.688 -1.549 -1.171 1.00 0.00 C ATOM 82 C ILE A 6 -2.699 -0.401 -0.973 1.00 0.00 C ATOM 83 O ILE A 6 -2.963 0.534 -0.245 1.00 0.00 O ATOM 84 CB ILE A 6 -4.789 -1.111 -2.134 1.00 0.00 C ATOM 85 CG1 ILE A 6 -5.816 -2.235 -2.278 1.00 0.00 C ATOM 86 CG2 ILE A 6 -4.184 -0.798 -3.500 1.00 0.00 C ATOM 87 CD1 ILE A 6 -6.973 -1.754 -3.153 1.00 0.00 C ATOM 0 H ILE A 6 -5.042 -1.282 0.453 1.00 0.00 H new ATOM 0 HA ILE A 6 -3.160 -2.411 -1.579 1.00 0.00 H new ATOM 0 HB ILE A 6 -5.276 -0.218 -1.742 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -5.350 -3.114 -2.723 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -6.186 -2.533 -1.297 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -4.973 -0.486 -4.184 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -3.453 0.004 -3.399 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -3.694 -1.688 -3.893 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -7.707 -2.553 -3.258 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -7.444 -0.887 -2.689 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -6.595 -1.478 -4.137 1.00 0.00 H new ATOM 99 N ALA A 7 -1.559 -0.467 -1.614 1.00 0.00 N ATOM 100 CA ALA A 7 -0.547 0.617 -1.456 1.00 0.00 C ATOM 101 C ALA A 7 -0.304 1.319 -2.794 1.00 0.00 C ATOM 102 O ALA A 7 0.712 1.958 -2.988 1.00 0.00 O ATOM 103 CB ALA A 7 0.765 0.009 -0.963 1.00 0.00 C ATOM 0 H ALA A 7 -1.287 -1.225 -2.239 1.00 0.00 H new ATOM 0 HA ALA A 7 -0.918 1.346 -0.736 1.00 0.00 H new ATOM 0 HB1 ALA A 7 1.509 0.796 -0.845 1.00 0.00 H new ATOM 0 HB2 ALA A 7 0.601 -0.481 -0.004 1.00 0.00 H new ATOM 0 HB3 ALA A 7 1.122 -0.722 -1.688 1.00 0.00 H new ATOM 109 N LYS A 8 -1.223 1.212 -3.716 1.00 0.00 N ATOM 110 CA LYS A 8 -1.040 1.876 -5.038 1.00 0.00 C ATOM 111 C LYS A 8 -2.262 2.755 -5.331 1.00 0.00 C ATOM 112 O LYS A 8 -3.346 2.494 -4.849 1.00 0.00 O ATOM 113 CB LYS A 8 -0.893 0.814 -6.134 1.00 0.00 C ATOM 114 CG LYS A 8 -0.512 -0.535 -5.512 1.00 0.00 C ATOM 115 CD LYS A 8 0.843 -0.413 -4.811 1.00 0.00 C ATOM 116 CE LYS A 8 1.881 -1.252 -5.556 1.00 0.00 C ATOM 117 NZ LYS A 8 1.623 -2.698 -5.306 1.00 0.00 N ATOM 0 H LYS A 8 -2.094 0.692 -3.610 1.00 0.00 H new ATOM 0 HA LYS A 8 -0.141 2.492 -5.017 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -1.828 0.718 -6.686 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -0.131 1.122 -6.850 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -1.275 -0.846 -4.799 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -0.465 -1.303 -6.284 1.00 0.00 H new ATOM 0 HD2 LYS A 8 1.157 0.631 -4.782 1.00 0.00 H new ATOM 0 HD3 LYS A 8 0.761 -0.750 -3.778 1.00 0.00 H new ATOM 0 HE2 LYS A 8 1.834 -1.043 -6.625 1.00 0.00 H new ATOM 0 HE3 LYS A 8 2.885 -0.988 -5.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 2.395 -3.094 -4.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 0.722 -2.807 -4.798 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 1.572 -3.203 -6.213 1.00 0.00 H new ATOM 131 N PRO A 9 -2.091 3.791 -6.114 1.00 0.00 N ATOM 132 CA PRO A 9 -3.203 4.720 -6.470 1.00 0.00 C ATOM 133 C PRO A 9 -4.372 3.995 -7.143 1.00 0.00 C ATOM 134 O PRO A 9 -5.511 4.401 -7.032 1.00 0.00 O ATOM 135 CB PRO A 9 -2.570 5.728 -7.438 1.00 0.00 C ATOM 136 CG PRO A 9 -1.266 5.134 -7.862 1.00 0.00 C ATOM 137 CD PRO A 9 -0.827 4.192 -6.745 1.00 0.00 C ATOM 0 HA PRO A 9 -3.625 5.189 -5.581 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -3.217 5.901 -8.298 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -2.419 6.692 -6.953 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -1.375 4.594 -8.803 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -0.521 5.913 -8.026 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -0.284 3.332 -7.136 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -0.166 4.691 -6.036 1.00 0.00 H new ATOM 145 N HIS A 10 -4.101 2.925 -7.837 1.00 0.00 N ATOM 146 CA HIS A 10 -5.199 2.178 -8.510 1.00 0.00 C ATOM 147 C HIS A 10 -4.810 0.703 -8.627 1.00 0.00 C ATOM 148 O HIS A 10 -5.598 -0.128 -9.034 1.00 0.00 O ATOM 149 CB HIS A 10 -5.434 2.758 -9.905 1.00 0.00 C ATOM 150 CG HIS A 10 -5.657 4.242 -9.797 1.00 0.00 C ATOM 151 ND1 HIS A 10 -6.785 4.778 -9.191 1.00 0.00 N ATOM 152 CD2 HIS A 10 -4.907 5.315 -10.212 1.00 0.00 C ATOM 153 CE1 HIS A 10 -6.682 6.120 -9.258 1.00 0.00 C ATOM 154 NE2 HIS A 10 -5.558 6.494 -9.870 1.00 0.00 N ATOM 0 H HIS A 10 -3.167 2.536 -7.967 1.00 0.00 H new ATOM 0 HA HIS A 10 -6.114 2.269 -7.924 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -4.576 2.554 -10.545 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -6.298 2.282 -10.368 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -3.958 5.252 -10.725 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -7.418 6.806 -8.865 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -5.242 7.447 -10.050 1.00 0.00 H new ATOM 163 N ASN A 11 -3.598 0.376 -8.274 1.00 0.00 N ATOM 164 CA ASN A 11 -3.147 -1.040 -8.364 1.00 0.00 C ATOM 165 C ASN A 11 -3.082 -1.643 -6.960 1.00 0.00 C ATOM 166 O ASN A 11 -3.225 -0.953 -5.973 1.00 0.00 O ATOM 167 CB ASN A 11 -1.761 -1.093 -9.009 1.00 0.00 C ATOM 168 CG ASN A 11 -1.812 -0.415 -10.379 1.00 0.00 C ATOM 169 OD1 ASN A 11 -2.340 -0.966 -11.324 1.00 0.00 O ATOM 170 ND2 ASN A 11 -1.285 0.771 -10.526 1.00 0.00 N ATOM 0 H ASN A 11 -2.898 1.031 -7.926 1.00 0.00 H new ATOM 0 HA ASN A 11 -3.851 -1.609 -8.971 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -1.032 -0.594 -8.371 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -1.436 -2.128 -9.115 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -1.317 1.234 -11.434 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -0.842 1.234 -9.733 1.00 0.00 H new ATOM 177 N CYS A 12 -2.875 -2.929 -6.868 1.00 0.00 N ATOM 178 CA CYS A 12 -2.804 -3.591 -5.535 1.00 0.00 C ATOM 179 C CYS A 12 -1.443 -4.270 -5.375 1.00 0.00 C ATOM 180 O CYS A 12 -0.627 -4.265 -6.276 1.00 0.00 O ATOM 181 CB CYS A 12 -3.917 -4.636 -5.429 1.00 0.00 C ATOM 182 SG CYS A 12 -5.525 -3.811 -5.524 1.00 0.00 S ATOM 0 H CYS A 12 -2.751 -3.553 -7.665 1.00 0.00 H new ATOM 0 HA CYS A 12 -2.929 -2.846 -4.749 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -3.823 -5.367 -6.232 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -3.831 -5.182 -4.489 1.00 0.00 H new ATOM 187 N VAL A 13 -1.187 -4.852 -4.236 1.00 0.00 N ATOM 188 CA VAL A 13 0.126 -5.525 -4.023 1.00 0.00 C ATOM 189 C VAL A 13 -0.007 -7.014 -4.350 1.00 0.00 C ATOM 190 O VAL A 13 -0.941 -7.671 -3.935 1.00 0.00 O ATOM 191 CB VAL A 13 0.553 -5.361 -2.564 1.00 0.00 C ATOM 192 CG1 VAL A 13 1.929 -5.997 -2.359 1.00 0.00 C ATOM 193 CG2 VAL A 13 0.625 -3.871 -2.220 1.00 0.00 C ATOM 0 H VAL A 13 -1.829 -4.891 -3.444 1.00 0.00 H new ATOM 0 HA VAL A 13 0.875 -5.074 -4.674 1.00 0.00 H new ATOM 0 HB VAL A 13 -0.173 -5.851 -1.916 1.00 0.00 H new ATOM 0 HG11 VAL A 13 2.233 -5.880 -1.319 1.00 0.00 H new ATOM 0 HG12 VAL A 13 1.880 -7.058 -2.605 1.00 0.00 H new ATOM 0 HG13 VAL A 13 2.656 -5.507 -3.007 1.00 0.00 H new ATOM 0 HG21 VAL A 13 0.929 -3.752 -1.180 1.00 0.00 H new ATOM 0 HG22 VAL A 13 1.352 -3.382 -2.869 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -0.355 -3.416 -2.366 1.00 0.00 H new ATOM 203 N TYR A 14 0.921 -7.548 -5.096 1.00 0.00 N ATOM 204 CA TYR A 14 0.852 -8.992 -5.457 1.00 0.00 C ATOM 205 C TYR A 14 0.930 -9.838 -4.181 1.00 0.00 C ATOM 206 O TYR A 14 0.130 -10.724 -3.961 1.00 0.00 O ATOM 207 CB TYR A 14 2.025 -9.331 -6.378 1.00 0.00 C ATOM 208 CG TYR A 14 2.614 -8.056 -6.928 1.00 0.00 C ATOM 209 CD1 TYR A 14 2.039 -7.438 -8.044 1.00 0.00 C ATOM 210 CD2 TYR A 14 3.738 -7.489 -6.315 1.00 0.00 C ATOM 211 CE1 TYR A 14 2.588 -6.253 -8.548 1.00 0.00 C ATOM 212 CE2 TYR A 14 4.286 -6.305 -6.818 1.00 0.00 C ATOM 213 CZ TYR A 14 3.711 -5.686 -7.935 1.00 0.00 C ATOM 214 OH TYR A 14 4.253 -4.517 -8.432 1.00 0.00 O ATOM 0 H TYR A 14 1.725 -7.046 -5.472 1.00 0.00 H new ATOM 0 HA TYR A 14 -0.086 -9.204 -5.970 1.00 0.00 H new ATOM 0 HB2 TYR A 14 2.784 -9.888 -5.829 1.00 0.00 H new ATOM 0 HB3 TYR A 14 1.688 -9.971 -7.194 1.00 0.00 H new ATOM 0 HD1 TYR A 14 1.172 -7.875 -8.516 1.00 0.00 H new ATOM 0 HD2 TYR A 14 4.182 -7.966 -5.454 1.00 0.00 H new ATOM 0 HE1 TYR A 14 2.145 -5.776 -9.410 1.00 0.00 H new ATOM 0 HE2 TYR A 14 5.153 -5.868 -6.345 1.00 0.00 H new ATOM 0 HH TYR A 14 5.027 -4.259 -7.890 1.00 0.00 H new ATOM 224 N GLU A 15 1.881 -9.553 -3.332 1.00 0.00 N ATOM 225 CA GLU A 15 2.015 -10.317 -2.057 1.00 0.00 C ATOM 226 C GLU A 15 3.247 -9.820 -1.299 1.00 0.00 C ATOM 227 O GLU A 15 4.302 -10.422 -1.344 1.00 0.00 O ATOM 228 CB GLU A 15 2.156 -11.821 -2.337 1.00 0.00 C ATOM 229 CG GLU A 15 3.132 -12.060 -3.493 1.00 0.00 C ATOM 230 CD GLU A 15 3.251 -13.563 -3.755 1.00 0.00 C ATOM 231 OE1 GLU A 15 2.683 -14.325 -2.989 1.00 0.00 O ATOM 232 OE2 GLU A 15 3.906 -13.926 -4.717 1.00 0.00 O ATOM 0 H GLU A 15 2.576 -8.819 -3.468 1.00 0.00 H new ATOM 0 HA GLU A 15 1.119 -10.159 -1.457 1.00 0.00 H new ATOM 0 HB2 GLU A 15 2.510 -12.332 -1.442 1.00 0.00 H new ATOM 0 HB3 GLU A 15 1.182 -12.245 -2.582 1.00 0.00 H new ATOM 0 HG2 GLU A 15 2.782 -11.550 -4.390 1.00 0.00 H new ATOM 0 HG3 GLU A 15 4.110 -11.643 -3.250 1.00 0.00 H new ATOM 239 N CYS A 16 3.126 -8.724 -0.600 1.00 0.00 N ATOM 240 CA CYS A 16 4.296 -8.196 0.155 1.00 0.00 C ATOM 241 C CYS A 16 4.984 -9.351 0.885 1.00 0.00 C ATOM 242 O CYS A 16 4.383 -10.373 1.150 1.00 0.00 O ATOM 243 CB CYS A 16 3.825 -7.156 1.174 1.00 0.00 C ATOM 244 SG CYS A 16 4.648 -7.449 2.759 1.00 0.00 S ATOM 0 H CYS A 16 2.271 -8.174 -0.520 1.00 0.00 H new ATOM 0 HA CYS A 16 4.996 -7.728 -0.537 1.00 0.00 H new ATOM 0 HB2 CYS A 16 4.050 -6.152 0.815 1.00 0.00 H new ATOM 0 HB3 CYS A 16 2.744 -7.215 1.297 1.00 0.00 H new ATOM 249 N PHE A 17 6.240 -9.200 1.208 1.00 0.00 N ATOM 250 CA PHE A 17 6.968 -10.292 1.915 1.00 0.00 C ATOM 251 C PHE A 17 7.736 -9.703 3.104 1.00 0.00 C ATOM 252 O PHE A 17 7.318 -8.731 3.702 1.00 0.00 O ATOM 253 CB PHE A 17 7.939 -10.966 0.938 1.00 0.00 C ATOM 254 CG PHE A 17 9.244 -10.210 0.906 1.00 0.00 C ATOM 255 CD1 PHE A 17 9.297 -8.923 0.358 1.00 0.00 C ATOM 256 CD2 PHE A 17 10.403 -10.797 1.425 1.00 0.00 C ATOM 257 CE1 PHE A 17 10.509 -8.225 0.333 1.00 0.00 C ATOM 258 CE2 PHE A 17 11.614 -10.099 1.399 1.00 0.00 C ATOM 259 CZ PHE A 17 11.667 -8.813 0.855 1.00 0.00 C ATOM 0 H PHE A 17 6.794 -8.366 1.012 1.00 0.00 H new ATOM 0 HA PHE A 17 6.260 -11.034 2.283 1.00 0.00 H new ATOM 0 HB2 PHE A 17 8.114 -11.998 1.240 1.00 0.00 H new ATOM 0 HB3 PHE A 17 7.502 -10.996 -0.060 1.00 0.00 H new ATOM 0 HD1 PHE A 17 8.403 -8.470 -0.045 1.00 0.00 H new ATOM 0 HD2 PHE A 17 10.362 -11.791 1.846 1.00 0.00 H new ATOM 0 HE1 PHE A 17 10.551 -7.232 -0.089 1.00 0.00 H new ATOM 0 HE2 PHE A 17 12.508 -10.554 1.799 1.00 0.00 H new ATOM 0 HZ PHE A 17 12.602 -8.273 0.837 1.00 0.00 H new ATOM 269 N ASP A 18 8.851 -10.284 3.456 1.00 0.00 N ATOM 270 CA ASP A 18 9.635 -9.758 4.608 1.00 0.00 C ATOM 271 C ASP A 18 9.993 -8.291 4.360 1.00 0.00 C ATOM 272 O ASP A 18 10.449 -7.922 3.297 1.00 0.00 O ATOM 273 CB ASP A 18 10.917 -10.576 4.770 1.00 0.00 C ATOM 274 CG ASP A 18 11.636 -10.153 6.053 1.00 0.00 C ATOM 275 OD1 ASP A 18 11.076 -9.355 6.787 1.00 0.00 O ATOM 276 OD2 ASP A 18 12.735 -10.633 6.279 1.00 0.00 O ATOM 0 H ASP A 18 9.252 -11.100 2.995 1.00 0.00 H new ATOM 0 HA ASP A 18 9.037 -9.835 5.516 1.00 0.00 H new ATOM 0 HB2 ASP A 18 10.680 -11.639 4.807 1.00 0.00 H new ATOM 0 HB3 ASP A 18 11.568 -10.425 3.909 1.00 0.00 H new ATOM 281 N ALA A 19 9.781 -7.452 5.338 1.00 0.00 N ATOM 282 CA ALA A 19 10.097 -6.005 5.170 1.00 0.00 C ATOM 283 C ALA A 19 11.610 -5.791 5.236 1.00 0.00 C ATOM 284 O ALA A 19 12.086 -4.673 5.203 1.00 0.00 O ATOM 285 CB ALA A 19 9.423 -5.204 6.285 1.00 0.00 C ATOM 0 H ALA A 19 9.401 -7.708 6.249 1.00 0.00 H new ATOM 0 HA ALA A 19 9.728 -5.669 4.201 1.00 0.00 H new ATOM 0 HB1 ALA A 19 9.653 -4.146 6.163 1.00 0.00 H new ATOM 0 HB2 ALA A 19 8.344 -5.348 6.235 1.00 0.00 H new ATOM 0 HB3 ALA A 19 9.791 -5.546 7.252 1.00 0.00 H new ATOM 291 N PHE A 20 12.373 -6.845 5.329 1.00 0.00 N ATOM 292 CA PHE A 20 13.852 -6.676 5.397 1.00 0.00 C ATOM 293 C PHE A 20 14.296 -5.750 4.265 1.00 0.00 C ATOM 294 O PHE A 20 15.110 -4.867 4.454 1.00 0.00 O ATOM 295 CB PHE A 20 14.532 -8.038 5.241 1.00 0.00 C ATOM 296 CG PHE A 20 16.022 -7.881 5.430 1.00 0.00 C ATOM 297 CD1 PHE A 20 16.570 -7.900 6.718 1.00 0.00 C ATOM 298 CD2 PHE A 20 16.855 -7.713 4.318 1.00 0.00 C ATOM 299 CE1 PHE A 20 17.951 -7.753 6.894 1.00 0.00 C ATOM 300 CE2 PHE A 20 18.236 -7.566 4.493 1.00 0.00 C ATOM 301 CZ PHE A 20 18.784 -7.586 5.781 1.00 0.00 C ATOM 0 H PHE A 20 12.040 -7.809 5.361 1.00 0.00 H new ATOM 0 HA PHE A 20 14.131 -6.246 6.359 1.00 0.00 H new ATOM 0 HB2 PHE A 20 14.134 -8.741 5.973 1.00 0.00 H new ATOM 0 HB3 PHE A 20 14.321 -8.451 4.254 1.00 0.00 H new ATOM 0 HD1 PHE A 20 15.927 -8.028 7.576 1.00 0.00 H new ATOM 0 HD2 PHE A 20 16.432 -7.697 3.324 1.00 0.00 H new ATOM 0 HE1 PHE A 20 18.374 -7.768 7.888 1.00 0.00 H new ATOM 0 HE2 PHE A 20 18.879 -7.437 3.635 1.00 0.00 H new ATOM 0 HZ PHE A 20 19.849 -7.473 5.916 1.00 0.00 H new ATOM 311 N SER A 21 13.756 -5.933 3.091 1.00 0.00 N ATOM 312 CA SER A 21 14.134 -5.053 1.953 1.00 0.00 C ATOM 313 C SER A 21 13.324 -3.759 2.031 1.00 0.00 C ATOM 314 O SER A 21 13.527 -2.839 1.264 1.00 0.00 O ATOM 315 CB SER A 21 13.836 -5.765 0.634 1.00 0.00 C ATOM 316 OG SER A 21 12.429 -5.867 0.463 1.00 0.00 O ATOM 0 H SER A 21 13.069 -6.655 2.872 1.00 0.00 H new ATOM 0 HA SER A 21 15.198 -4.824 2.004 1.00 0.00 H new ATOM 0 HB2 SER A 21 14.276 -5.214 -0.197 1.00 0.00 H new ATOM 0 HB3 SER A 21 14.287 -6.757 0.633 1.00 0.00 H new ATOM 0 HG SER A 21 12.164 -6.810 0.489 1.00 0.00 H new ATOM 322 N SER A 22 12.405 -3.683 2.955 1.00 0.00 N ATOM 323 CA SER A 22 11.577 -2.452 3.089 1.00 0.00 C ATOM 324 C SER A 22 10.746 -2.252 1.819 1.00 0.00 C ATOM 325 O SER A 22 10.497 -1.141 1.395 1.00 0.00 O ATOM 326 CB SER A 22 12.495 -1.245 3.302 1.00 0.00 C ATOM 327 OG SER A 22 13.834 -1.697 3.456 1.00 0.00 O ATOM 0 H SER A 22 12.192 -4.423 3.624 1.00 0.00 H new ATOM 0 HA SER A 22 10.907 -2.553 3.943 1.00 0.00 H new ATOM 0 HB2 SER A 22 12.424 -0.565 2.453 1.00 0.00 H new ATOM 0 HB3 SER A 22 12.183 -0.687 4.185 1.00 0.00 H new ATOM 0 HG SER A 22 14.250 -1.794 2.574 1.00 0.00 H new ATOM 333 N TYR A 23 10.313 -3.319 1.204 1.00 0.00 N ATOM 334 CA TYR A 23 9.500 -3.181 -0.038 1.00 0.00 C ATOM 335 C TYR A 23 8.239 -2.367 0.254 1.00 0.00 C ATOM 336 O TYR A 23 7.909 -1.439 -0.458 1.00 0.00 O ATOM 337 CB TYR A 23 9.097 -4.567 -0.539 1.00 0.00 C ATOM 338 CG TYR A 23 8.254 -4.419 -1.782 1.00 0.00 C ATOM 339 CD1 TYR A 23 6.864 -4.298 -1.670 1.00 0.00 C ATOM 340 CD2 TYR A 23 8.860 -4.405 -3.043 1.00 0.00 C ATOM 341 CE1 TYR A 23 6.079 -4.160 -2.821 1.00 0.00 C ATOM 342 CE2 TYR A 23 8.075 -4.269 -4.195 1.00 0.00 C ATOM 343 CZ TYR A 23 6.684 -4.146 -4.083 1.00 0.00 C ATOM 344 OH TYR A 23 5.910 -4.010 -5.218 1.00 0.00 O ATOM 0 H TYR A 23 10.486 -4.277 1.507 1.00 0.00 H new ATOM 0 HA TYR A 23 10.093 -2.671 -0.798 1.00 0.00 H new ATOM 0 HB2 TYR A 23 9.985 -5.161 -0.756 1.00 0.00 H new ATOM 0 HB3 TYR A 23 8.539 -5.098 0.232 1.00 0.00 H new ATOM 0 HD1 TYR A 23 6.397 -4.311 -0.696 1.00 0.00 H new ATOM 0 HD2 TYR A 23 9.933 -4.499 -3.128 1.00 0.00 H new ATOM 0 HE1 TYR A 23 5.007 -4.064 -2.735 1.00 0.00 H new ATOM 0 HE2 TYR A 23 8.542 -4.259 -5.169 1.00 0.00 H new ATOM 0 HH TYR A 23 6.487 -4.019 -6.010 1.00 0.00 H new ATOM 354 N CYS A 24 7.532 -2.705 1.296 1.00 0.00 N ATOM 355 CA CYS A 24 6.294 -1.947 1.629 1.00 0.00 C ATOM 356 C CYS A 24 6.678 -0.536 2.074 1.00 0.00 C ATOM 357 O CYS A 24 6.190 0.451 1.555 1.00 0.00 O ATOM 358 CB CYS A 24 5.548 -2.658 2.761 1.00 0.00 C ATOM 359 SG CYS A 24 3.853 -2.027 2.859 1.00 0.00 S ATOM 0 H CYS A 24 7.757 -3.472 1.930 1.00 0.00 H new ATOM 0 HA CYS A 24 5.648 -1.892 0.753 1.00 0.00 H new ATOM 0 HB2 CYS A 24 5.537 -3.734 2.584 1.00 0.00 H new ATOM 0 HB3 CYS A 24 6.063 -2.496 3.708 1.00 0.00 H new ATOM 364 N ASN A 25 7.559 -0.434 3.028 1.00 0.00 N ATOM 365 CA ASN A 25 7.985 0.908 3.505 1.00 0.00 C ATOM 366 C ASN A 25 8.565 1.686 2.329 1.00 0.00 C ATOM 367 O ASN A 25 8.365 2.877 2.194 1.00 0.00 O ATOM 368 CB ASN A 25 9.048 0.746 4.593 1.00 0.00 C ATOM 369 CG ASN A 25 8.472 -0.083 5.742 1.00 0.00 C ATOM 370 OD1 ASN A 25 7.339 -0.709 5.570 1.00 0.00 O flip ATOM 371 ND2 ASN A 25 9.064 -0.174 6.799 1.00 0.00 N flip ATOM 0 H ASN A 25 8.002 -1.223 3.498 1.00 0.00 H new ATOM 0 HA ASN A 25 7.132 1.447 3.917 1.00 0.00 H new ATOM 0 HB2 ASN A 25 9.932 0.257 4.184 1.00 0.00 H new ATOM 0 HB3 ASN A 25 9.364 1.723 4.957 1.00 0.00 H new ATOM 0 HD21 ASN A 25 9.949 0.316 6.932 1.00 0.00 H new ATOM 0 HD22 ASN A 25 8.676 -0.740 7.554 1.00 0.00 H new ATOM 378 N GLY A 26 9.276 1.016 1.465 1.00 0.00 N ATOM 379 CA GLY A 26 9.861 1.708 0.285 1.00 0.00 C ATOM 380 C GLY A 26 8.730 2.320 -0.537 1.00 0.00 C ATOM 381 O GLY A 26 8.844 3.412 -1.057 1.00 0.00 O ATOM 0 H GLY A 26 9.477 0.018 1.526 1.00 0.00 H new ATOM 0 HA2 GLY A 26 10.555 2.484 0.608 1.00 0.00 H new ATOM 0 HA3 GLY A 26 10.430 1.004 -0.322 1.00 0.00 H new ATOM 385 N VAL A 27 7.629 1.626 -0.648 1.00 0.00 N ATOM 386 CA VAL A 27 6.484 2.170 -1.426 1.00 0.00 C ATOM 387 C VAL A 27 6.012 3.465 -0.767 1.00 0.00 C ATOM 388 O VAL A 27 5.726 4.443 -1.428 1.00 0.00 O ATOM 389 CB VAL A 27 5.341 1.154 -1.440 1.00 0.00 C ATOM 390 CG1 VAL A 27 4.109 1.780 -2.095 1.00 0.00 C ATOM 391 CG2 VAL A 27 5.769 -0.082 -2.234 1.00 0.00 C ATOM 0 H VAL A 27 7.475 0.707 -0.233 1.00 0.00 H new ATOM 0 HA VAL A 27 6.795 2.368 -2.452 1.00 0.00 H new ATOM 0 HB VAL A 27 5.100 0.864 -0.417 1.00 0.00 H new ATOM 0 HG11 VAL A 27 3.295 1.056 -2.105 1.00 0.00 H new ATOM 0 HG12 VAL A 27 3.804 2.661 -1.530 1.00 0.00 H new ATOM 0 HG13 VAL A 27 4.349 2.070 -3.118 1.00 0.00 H new ATOM 0 HG21 VAL A 27 4.955 -0.807 -2.245 1.00 0.00 H new ATOM 0 HG22 VAL A 27 6.010 0.208 -3.257 1.00 0.00 H new ATOM 0 HG23 VAL A 27 6.647 -0.529 -1.767 1.00 0.00 H new ATOM 401 N CYS A 28 5.939 3.480 0.535 1.00 0.00 N ATOM 402 CA CYS A 28 5.496 4.717 1.239 1.00 0.00 C ATOM 403 C CYS A 28 6.477 5.850 0.939 1.00 0.00 C ATOM 404 O CYS A 28 6.103 7.004 0.865 1.00 0.00 O ATOM 405 CB CYS A 28 5.457 4.468 2.749 1.00 0.00 C ATOM 406 SG CYS A 28 4.044 3.413 3.152 1.00 0.00 S ATOM 0 H CYS A 28 6.166 2.692 1.141 1.00 0.00 H new ATOM 0 HA CYS A 28 4.500 4.991 0.892 1.00 0.00 H new ATOM 0 HB2 CYS A 28 6.383 3.993 3.074 1.00 0.00 H new ATOM 0 HB3 CYS A 28 5.380 5.415 3.282 1.00 0.00 H new ATOM 411 N THR A 29 7.731 5.533 0.770 1.00 0.00 N ATOM 412 CA THR A 29 8.732 6.597 0.478 1.00 0.00 C ATOM 413 C THR A 29 8.317 7.355 -0.783 1.00 0.00 C ATOM 414 O THR A 29 8.338 8.569 -0.825 1.00 0.00 O ATOM 415 CB THR A 29 10.106 5.961 0.259 1.00 0.00 C ATOM 416 OG1 THR A 29 10.429 5.140 1.373 1.00 0.00 O ATOM 417 CG2 THR A 29 11.160 7.059 0.109 1.00 0.00 C ATOM 0 H THR A 29 8.105 4.585 0.821 1.00 0.00 H new ATOM 0 HA THR A 29 8.781 7.288 1.319 1.00 0.00 H new ATOM 0 HB THR A 29 10.086 5.354 -0.646 1.00 0.00 H new ATOM 0 HG1 THR A 29 11.308 4.730 1.233 1.00 0.00 H new ATOM 0 HG21 THR A 29 12.139 6.605 -0.047 1.00 0.00 H new ATOM 0 HG22 THR A 29 10.911 7.688 -0.746 1.00 0.00 H new ATOM 0 HG23 THR A 29 11.182 7.668 1.013 1.00 0.00 H new ATOM 425 N LYS A 30 7.933 6.650 -1.810 1.00 0.00 N ATOM 426 CA LYS A 30 7.511 7.335 -3.063 1.00 0.00 C ATOM 427 C LYS A 30 6.250 8.151 -2.778 1.00 0.00 C ATOM 428 O LYS A 30 6.121 9.284 -3.197 1.00 0.00 O ATOM 429 CB LYS A 30 7.213 6.290 -4.141 1.00 0.00 C ATOM 430 CG LYS A 30 8.417 5.362 -4.314 1.00 0.00 C ATOM 431 CD LYS A 30 9.627 6.166 -4.796 1.00 0.00 C ATOM 432 CE LYS A 30 10.672 5.215 -5.380 1.00 0.00 C ATOM 433 NZ LYS A 30 11.274 4.403 -4.285 1.00 0.00 N ATOM 0 H LYS A 30 7.893 5.631 -1.836 1.00 0.00 H new ATOM 0 HA LYS A 30 8.306 7.993 -3.413 1.00 0.00 H new ATOM 0 HB2 LYS A 30 6.333 5.710 -3.864 1.00 0.00 H new ATOM 0 HB3 LYS A 30 6.985 6.784 -5.085 1.00 0.00 H new ATOM 0 HG2 LYS A 30 8.648 4.871 -3.369 1.00 0.00 H new ATOM 0 HG3 LYS A 30 8.182 4.576 -5.032 1.00 0.00 H new ATOM 0 HD2 LYS A 30 9.319 6.891 -5.549 1.00 0.00 H new ATOM 0 HD3 LYS A 30 10.056 6.730 -3.968 1.00 0.00 H new ATOM 0 HE2 LYS A 30 10.211 4.561 -6.120 1.00 0.00 H new ATOM 0 HE3 LYS A 30 11.448 5.782 -5.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 12.054 3.830 -4.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 11.639 5.035 -3.544 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 10.550 3.776 -3.880 1.00 0.00 H new ATOM 447 N ASN A 31 5.326 7.581 -2.058 1.00 0.00 N ATOM 448 CA ASN A 31 4.073 8.313 -1.725 1.00 0.00 C ATOM 449 C ASN A 31 4.416 9.528 -0.861 1.00 0.00 C ATOM 450 O ASN A 31 3.726 10.527 -0.872 1.00 0.00 O ATOM 451 CB ASN A 31 3.130 7.387 -0.954 1.00 0.00 C ATOM 452 CG ASN A 31 2.713 6.222 -1.852 1.00 0.00 C ATOM 453 OD1 ASN A 31 2.843 6.291 -3.058 1.00 0.00 O ATOM 454 ND2 ASN A 31 2.213 5.143 -1.312 1.00 0.00 N ATOM 0 H ASN A 31 5.385 6.634 -1.684 1.00 0.00 H new ATOM 0 HA ASN A 31 3.585 8.642 -2.643 1.00 0.00 H new ATOM 0 HB2 ASN A 31 3.624 7.011 -0.058 1.00 0.00 H new ATOM 0 HB3 ASN A 31 2.250 7.939 -0.624 1.00 0.00 H new ATOM 0 HD21 ASN A 31 1.932 4.360 -1.903 1.00 0.00 H new ATOM 0 HD22 ASN A 31 2.103 5.083 -0.300 1.00 0.00 H new ATOM 461 N GLY A 32 5.474 9.439 -0.103 1.00 0.00 N ATOM 462 CA GLY A 32 5.864 10.575 0.776 1.00 0.00 C ATOM 463 C GLY A 32 5.428 10.271 2.209 1.00 0.00 C ATOM 464 O GLY A 32 5.656 11.045 3.118 1.00 0.00 O ATOM 0 H GLY A 32 6.087 8.625 -0.055 1.00 0.00 H new ATOM 0 HA2 GLY A 32 6.942 10.729 0.736 1.00 0.00 H new ATOM 0 HA3 GLY A 32 5.397 11.497 0.428 1.00 0.00 H new ATOM 468 N ALA A 33 4.806 9.143 2.417 1.00 0.00 N ATOM 469 CA ALA A 33 4.357 8.778 3.789 1.00 0.00 C ATOM 470 C ALA A 33 5.582 8.527 4.671 1.00 0.00 C ATOM 471 O ALA A 33 6.613 8.083 4.205 1.00 0.00 O ATOM 472 CB ALA A 33 3.501 7.511 3.727 1.00 0.00 C ATOM 0 H ALA A 33 4.589 8.457 1.694 1.00 0.00 H new ATOM 0 HA ALA A 33 3.766 9.592 4.209 1.00 0.00 H new ATOM 0 HB1 ALA A 33 3.173 7.244 4.732 1.00 0.00 H new ATOM 0 HB2 ALA A 33 2.630 7.691 3.096 1.00 0.00 H new ATOM 0 HB3 ALA A 33 4.090 6.694 3.309 1.00 0.00 H new ATOM 478 N LYS A 34 5.485 8.813 5.942 1.00 0.00 N ATOM 479 CA LYS A 34 6.657 8.594 6.839 1.00 0.00 C ATOM 480 C LYS A 34 6.989 7.101 6.924 1.00 0.00 C ATOM 481 O LYS A 34 8.079 6.685 6.581 1.00 0.00 O ATOM 482 CB LYS A 34 6.351 9.124 8.244 1.00 0.00 C ATOM 483 CG LYS A 34 4.867 8.936 8.566 1.00 0.00 C ATOM 484 CD LYS A 34 4.718 8.514 10.030 1.00 0.00 C ATOM 485 CE LYS A 34 3.235 8.331 10.363 1.00 0.00 C ATOM 486 NZ LYS A 34 3.102 7.663 11.688 1.00 0.00 N ATOM 0 H LYS A 34 4.651 9.186 6.396 1.00 0.00 H new ATOM 0 HA LYS A 34 7.512 9.130 6.426 1.00 0.00 H new ATOM 0 HB2 LYS A 34 6.960 8.599 8.980 1.00 0.00 H new ATOM 0 HB3 LYS A 34 6.614 10.180 8.308 1.00 0.00 H new ATOM 0 HG2 LYS A 34 4.323 9.863 8.385 1.00 0.00 H new ATOM 0 HG3 LYS A 34 4.434 8.180 7.911 1.00 0.00 H new ATOM 0 HD2 LYS A 34 5.258 7.584 10.208 1.00 0.00 H new ATOM 0 HD3 LYS A 34 5.157 9.268 10.683 1.00 0.00 H new ATOM 0 HE2 LYS A 34 2.733 9.298 10.380 1.00 0.00 H new ATOM 0 HE3 LYS A 34 2.749 7.733 9.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 2.095 7.539 11.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 3.567 6.733 11.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 3.551 8.250 12.419 1.00 0.00 H new ATOM 500 N SER A 35 6.075 6.287 7.388 1.00 0.00 N ATOM 501 CA SER A 35 6.380 4.830 7.493 1.00 0.00 C ATOM 502 C SER A 35 5.135 3.996 7.180 1.00 0.00 C ATOM 503 O SER A 35 4.020 4.472 7.242 1.00 0.00 O ATOM 504 CB SER A 35 6.859 4.515 8.911 1.00 0.00 C ATOM 505 OG SER A 35 5.774 4.669 9.818 1.00 0.00 O ATOM 0 H SER A 35 5.143 6.564 7.695 1.00 0.00 H new ATOM 0 HA SER A 35 7.159 4.581 6.772 1.00 0.00 H new ATOM 0 HB2 SER A 35 7.246 3.497 8.959 1.00 0.00 H new ATOM 0 HB3 SER A 35 7.677 5.181 9.187 1.00 0.00 H new ATOM 0 HG SER A 35 6.077 4.466 10.728 1.00 0.00 H new ATOM 511 N GLY A 36 5.329 2.745 6.858 1.00 0.00 N ATOM 512 CA GLY A 36 4.173 1.855 6.551 1.00 0.00 C ATOM 513 C GLY A 36 4.463 0.446 7.080 1.00 0.00 C ATOM 514 O GLY A 36 5.605 0.066 7.247 1.00 0.00 O ATOM 0 H GLY A 36 6.244 2.299 6.794 1.00 0.00 H new ATOM 0 HA2 GLY A 36 3.265 2.248 7.009 1.00 0.00 H new ATOM 0 HA3 GLY A 36 3.999 1.823 5.475 1.00 0.00 H new ATOM 518 N TYR A 37 3.442 -0.331 7.341 1.00 0.00 N ATOM 519 CA TYR A 37 3.665 -1.716 7.855 1.00 0.00 C ATOM 520 C TYR A 37 2.977 -2.722 6.927 1.00 0.00 C ATOM 521 O TYR A 37 1.932 -2.452 6.371 1.00 0.00 O ATOM 522 CB TYR A 37 3.067 -1.851 9.258 1.00 0.00 C ATOM 523 CG TYR A 37 3.512 -0.698 10.126 1.00 0.00 C ATOM 524 CD1 TYR A 37 4.874 -0.402 10.269 1.00 0.00 C ATOM 525 CD2 TYR A 37 2.555 0.076 10.792 1.00 0.00 C ATOM 526 CE1 TYR A 37 5.276 0.668 11.078 1.00 0.00 C ATOM 527 CE2 TYR A 37 2.957 1.145 11.601 1.00 0.00 C ATOM 528 CZ TYR A 37 4.317 1.442 11.743 1.00 0.00 C ATOM 529 OH TYR A 37 4.714 2.496 12.541 1.00 0.00 O ATOM 0 H TYR A 37 2.464 -0.066 7.220 1.00 0.00 H new ATOM 0 HA TYR A 37 4.736 -1.913 7.891 1.00 0.00 H new ATOM 0 HB2 TYR A 37 1.979 -1.872 9.197 1.00 0.00 H new ATOM 0 HB3 TYR A 37 3.379 -2.795 9.705 1.00 0.00 H new ATOM 0 HD1 TYR A 37 5.613 -0.999 9.756 1.00 0.00 H new ATOM 0 HD2 TYR A 37 1.505 -0.152 10.682 1.00 0.00 H new ATOM 0 HE1 TYR A 37 6.326 0.896 11.189 1.00 0.00 H new ATOM 0 HE2 TYR A 37 2.218 1.741 12.116 1.00 0.00 H new ATOM 0 HH TYR A 37 3.924 2.929 12.928 1.00 0.00 H new ATOM 539 N CYS A 38 3.548 -3.886 6.766 1.00 0.00 N ATOM 540 CA CYS A 38 2.917 -4.910 5.890 1.00 0.00 C ATOM 541 C CYS A 38 2.168 -5.920 6.761 1.00 0.00 C ATOM 542 O CYS A 38 2.744 -6.553 7.625 1.00 0.00 O ATOM 543 CB CYS A 38 3.999 -5.632 5.085 1.00 0.00 C ATOM 544 SG CYS A 38 3.250 -6.979 4.137 1.00 0.00 S ATOM 0 H CYS A 38 4.424 -4.170 7.204 1.00 0.00 H new ATOM 0 HA CYS A 38 2.220 -4.428 5.204 1.00 0.00 H new ATOM 0 HB2 CYS A 38 4.495 -4.932 4.413 1.00 0.00 H new ATOM 0 HB3 CYS A 38 4.763 -6.026 5.755 1.00 0.00 H new ATOM 549 N GLN A 39 0.889 -6.068 6.546 1.00 0.00 N ATOM 550 CA GLN A 39 0.092 -7.028 7.364 1.00 0.00 C ATOM 551 C GLN A 39 -0.496 -8.106 6.454 1.00 0.00 C ATOM 552 O GLN A 39 -0.511 -7.968 5.247 1.00 0.00 O ATOM 553 CB GLN A 39 -1.039 -6.274 8.068 1.00 0.00 C ATOM 554 CG GLN A 39 -0.436 -5.224 9.001 1.00 0.00 C ATOM 555 CD GLN A 39 -1.551 -4.542 9.796 1.00 0.00 C ATOM 556 OE1 GLN A 39 -2.793 -4.869 9.569 1.00 0.00 O flip ATOM 557 NE2 GLN A 39 -1.288 -3.701 10.634 1.00 0.00 N flip ATOM 0 H GLN A 39 0.359 -5.563 5.836 1.00 0.00 H new ATOM 0 HA GLN A 39 0.734 -7.497 8.109 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -1.687 -5.796 7.333 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -1.658 -6.969 8.635 1.00 0.00 H new ATOM 0 HG2 GLN A 39 0.275 -5.693 9.681 1.00 0.00 H new ATOM 0 HG3 GLN A 39 0.117 -4.484 8.423 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -0.317 -3.445 10.812 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -2.038 -3.252 11.159 1.00 0.00 H new ATOM 566 N ILE A 40 -0.976 -9.181 7.020 1.00 0.00 N ATOM 567 CA ILE A 40 -1.554 -10.266 6.179 1.00 0.00 C ATOM 568 C ILE A 40 -3.076 -10.222 6.240 1.00 0.00 C ATOM 569 O ILE A 40 -3.665 -9.923 7.260 1.00 0.00 O ATOM 570 CB ILE A 40 -1.074 -11.626 6.677 1.00 0.00 C ATOM 571 CG1 ILE A 40 -1.514 -11.828 8.131 1.00 0.00 C ATOM 572 CG2 ILE A 40 0.451 -11.693 6.588 1.00 0.00 C ATOM 573 CD1 ILE A 40 -1.096 -13.223 8.600 1.00 0.00 C ATOM 0 H ILE A 40 -0.992 -9.353 8.025 1.00 0.00 H new ATOM 0 HA ILE A 40 -1.227 -10.118 5.150 1.00 0.00 H new ATOM 0 HB ILE A 40 -1.508 -12.411 6.058 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -1.062 -11.068 8.768 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -2.595 -11.713 8.215 1.00 0.00 H new ATOM 0 HG21 ILE A 40 0.794 -12.665 6.944 1.00 0.00 H new ATOM 0 HG22 ILE A 40 0.761 -11.556 5.552 1.00 0.00 H new ATOM 0 HG23 ILE A 40 0.886 -10.907 7.205 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -1.408 -13.368 9.634 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -1.569 -13.976 7.969 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -0.013 -13.321 8.531 1.00 0.00 H new ATOM 585 N LEU A 41 -3.713 -10.523 5.147 1.00 0.00 N ATOM 586 CA LEU A 41 -5.191 -10.508 5.108 1.00 0.00 C ATOM 587 C LEU A 41 -5.715 -11.943 5.066 1.00 0.00 C ATOM 588 O LEU A 41 -5.170 -12.792 4.390 1.00 0.00 O ATOM 589 CB LEU A 41 -5.646 -9.771 3.854 1.00 0.00 C ATOM 590 CG LEU A 41 -5.574 -8.257 4.075 1.00 0.00 C ATOM 591 CD1 LEU A 41 -6.601 -7.840 5.130 1.00 0.00 C ATOM 592 CD2 LEU A 41 -4.172 -7.864 4.547 1.00 0.00 C ATOM 0 H LEU A 41 -3.263 -10.782 4.269 1.00 0.00 H new ATOM 0 HA LEU A 41 -5.577 -10.007 5.996 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -5.017 -10.053 3.009 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -6.666 -10.061 3.603 1.00 0.00 H new ATOM 0 HG LEU A 41 -5.792 -7.751 3.134 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -6.547 -6.762 5.285 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -7.601 -8.108 4.790 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -6.387 -8.352 6.068 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -4.129 -6.786 4.702 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -3.947 -8.374 5.483 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -3.440 -8.152 3.792 1.00 0.00 H new ATOM 604 N GLY A 42 -6.770 -12.223 5.775 1.00 0.00 N ATOM 605 CA GLY A 42 -7.324 -13.604 5.762 1.00 0.00 C ATOM 606 C GLY A 42 -7.628 -14.021 4.320 1.00 0.00 C ATOM 607 O GLY A 42 -7.602 -15.188 3.983 1.00 0.00 O ATOM 0 H GLY A 42 -7.272 -11.557 6.362 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -6.611 -14.297 6.209 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -8.232 -13.648 6.363 1.00 0.00 H new ATOM 611 N THR A 43 -7.931 -13.077 3.469 1.00 0.00 N ATOM 612 CA THR A 43 -8.251 -13.422 2.055 1.00 0.00 C ATOM 613 C THR A 43 -7.004 -13.298 1.173 1.00 0.00 C ATOM 614 O THR A 43 -6.443 -14.281 0.733 1.00 0.00 O ATOM 615 CB THR A 43 -9.335 -12.475 1.538 1.00 0.00 C ATOM 616 OG1 THR A 43 -8.815 -11.155 1.468 1.00 0.00 O ATOM 617 CG2 THR A 43 -10.536 -12.503 2.485 1.00 0.00 C ATOM 0 H THR A 43 -7.970 -12.083 3.693 1.00 0.00 H new ATOM 0 HA THR A 43 -8.605 -14.452 2.016 1.00 0.00 H new ATOM 0 HB THR A 43 -9.652 -12.794 0.545 1.00 0.00 H new ATOM 0 HG1 THR A 43 -8.618 -10.930 0.535 1.00 0.00 H new ATOM 0 HG21 THR A 43 -11.307 -11.827 2.115 1.00 0.00 H new ATOM 0 HG22 THR A 43 -10.935 -13.516 2.537 1.00 0.00 H new ATOM 0 HG23 THR A 43 -10.223 -12.185 3.480 1.00 0.00 H new ATOM 625 N TYR A 44 -6.577 -12.095 0.894 1.00 0.00 N ATOM 626 CA TYR A 44 -5.380 -11.911 0.020 1.00 0.00 C ATOM 627 C TYR A 44 -4.149 -12.549 0.670 1.00 0.00 C ATOM 628 O TYR A 44 -3.331 -13.153 0.005 1.00 0.00 O ATOM 629 CB TYR A 44 -5.128 -10.416 -0.192 1.00 0.00 C ATOM 630 CG TYR A 44 -6.342 -9.789 -0.836 1.00 0.00 C ATOM 631 CD1 TYR A 44 -6.548 -9.916 -2.214 1.00 0.00 C ATOM 632 CD2 TYR A 44 -7.261 -9.080 -0.052 1.00 0.00 C ATOM 633 CE1 TYR A 44 -7.673 -9.334 -2.810 1.00 0.00 C ATOM 634 CE2 TYR A 44 -8.386 -8.499 -0.647 1.00 0.00 C ATOM 635 CZ TYR A 44 -8.593 -8.626 -2.026 1.00 0.00 C ATOM 636 OH TYR A 44 -9.703 -8.053 -2.614 1.00 0.00 O ATOM 0 H TYR A 44 -7.004 -11.233 1.233 1.00 0.00 H new ATOM 0 HA TYR A 44 -5.564 -12.392 -0.940 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -4.918 -9.932 0.762 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -4.251 -10.270 -0.823 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -5.839 -10.463 -2.818 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -7.101 -8.982 1.012 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -7.832 -9.431 -3.874 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -9.095 -7.952 -0.043 1.00 0.00 H new ATOM 0 HH TYR A 44 -10.239 -7.600 -1.930 1.00 0.00 H new ATOM 646 N GLY A 45 -4.009 -12.426 1.961 1.00 0.00 N ATOM 647 CA GLY A 45 -2.829 -13.036 2.640 1.00 0.00 C ATOM 648 C GLY A 45 -1.742 -11.980 2.860 1.00 0.00 C ATOM 649 O GLY A 45 -1.036 -12.008 3.847 1.00 0.00 O ATOM 0 H GLY A 45 -4.657 -11.932 2.574 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -3.131 -13.463 3.597 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -2.435 -13.854 2.036 1.00 0.00 H new ATOM 653 N ASN A 46 -1.595 -11.052 1.950 1.00 0.00 N ATOM 654 CA ASN A 46 -0.547 -10.006 2.121 1.00 0.00 C ATOM 655 C ASN A 46 -1.108 -8.629 1.761 1.00 0.00 C ATOM 656 O ASN A 46 -1.688 -8.436 0.710 1.00 0.00 O ATOM 657 CB ASN A 46 0.642 -10.322 1.215 1.00 0.00 C ATOM 658 CG ASN A 46 1.804 -10.846 2.063 1.00 0.00 C ATOM 659 OD1 ASN A 46 2.437 -11.821 1.710 1.00 0.00 O ATOM 660 ND2 ASN A 46 2.113 -10.234 3.174 1.00 0.00 N ATOM 0 H ASN A 46 -2.153 -10.974 1.100 1.00 0.00 H new ATOM 0 HA ASN A 46 -0.225 -9.997 3.162 1.00 0.00 H new ATOM 0 HB2 ASN A 46 0.358 -11.065 0.470 1.00 0.00 H new ATOM 0 HB3 ASN A 46 0.948 -9.427 0.673 1.00 0.00 H new ATOM 0 HD21 ASN A 46 2.886 -10.574 3.746 1.00 0.00 H new ATOM 0 HD22 ASN A 46 1.581 -9.415 3.470 1.00 0.00 H new ATOM 667 N GLY A 47 -0.927 -7.667 2.624 1.00 0.00 N ATOM 668 CA GLY A 47 -1.431 -6.294 2.338 1.00 0.00 C ATOM 669 C GLY A 47 -0.397 -5.273 2.814 1.00 0.00 C ATOM 670 O GLY A 47 0.450 -5.577 3.631 1.00 0.00 O ATOM 0 H GLY A 47 -0.449 -7.774 3.519 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -1.613 -6.175 1.270 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -2.382 -6.130 2.844 1.00 0.00 H new ATOM 674 N CYS A 48 -0.457 -4.067 2.312 1.00 0.00 N ATOM 675 CA CYS A 48 0.527 -3.030 2.740 1.00 0.00 C ATOM 676 C CYS A 48 -0.180 -1.952 3.562 1.00 0.00 C ATOM 677 O CYS A 48 -1.243 -1.482 3.207 1.00 0.00 O ATOM 678 CB CYS A 48 1.170 -2.391 1.509 1.00 0.00 C ATOM 679 SG CYS A 48 2.881 -2.964 1.355 1.00 0.00 S ATOM 0 H CYS A 48 -1.144 -3.756 1.625 1.00 0.00 H new ATOM 0 HA CYS A 48 1.298 -3.501 3.350 1.00 0.00 H new ATOM 0 HB2 CYS A 48 0.606 -2.652 0.614 1.00 0.00 H new ATOM 0 HB3 CYS A 48 1.145 -1.305 1.595 1.00 0.00 H new ATOM 684 N TRP A 49 0.409 -1.555 4.659 1.00 0.00 N ATOM 685 CA TRP A 49 -0.214 -0.509 5.512 1.00 0.00 C ATOM 686 C TRP A 49 0.662 0.747 5.476 1.00 0.00 C ATOM 687 O TRP A 49 1.762 0.754 5.991 1.00 0.00 O ATOM 688 CB TRP A 49 -0.298 -1.030 6.951 1.00 0.00 C ATOM 689 CG TRP A 49 -1.546 -0.533 7.602 1.00 0.00 C ATOM 690 CD1 TRP A 49 -1.619 0.529 8.436 1.00 0.00 C ATOM 691 CD2 TRP A 49 -2.899 -1.065 7.498 1.00 0.00 C ATOM 692 NE1 TRP A 49 -2.930 0.687 8.846 1.00 0.00 N ATOM 693 CE2 TRP A 49 -3.757 -0.271 8.295 1.00 0.00 C ATOM 694 CE3 TRP A 49 -3.457 -2.146 6.795 1.00 0.00 C ATOM 695 CZ2 TRP A 49 -5.123 -0.543 8.391 1.00 0.00 C ATOM 696 CZ3 TRP A 49 -4.830 -2.422 6.888 1.00 0.00 C ATOM 697 CH2 TRP A 49 -5.662 -1.622 7.684 1.00 0.00 C ATOM 0 H TRP A 49 1.300 -1.915 5.000 1.00 0.00 H new ATOM 0 HA TRP A 49 -1.213 -0.270 5.147 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -0.286 -2.120 6.953 1.00 0.00 H new ATOM 0 HB3 TRP A 49 0.573 -0.701 7.517 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -0.789 1.152 8.733 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -3.247 1.422 9.478 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -2.825 -2.769 6.179 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -5.759 0.076 9.007 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -5.248 -3.256 6.343 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -6.718 -1.839 7.751 1.00 0.00 H new ATOM 708 N CYS A 50 0.189 1.810 4.877 1.00 0.00 N ATOM 709 CA CYS A 50 1.011 3.057 4.824 1.00 0.00 C ATOM 710 C CYS A 50 0.402 4.092 5.769 1.00 0.00 C ATOM 711 O CYS A 50 -0.757 4.441 5.656 1.00 0.00 O ATOM 712 CB CYS A 50 1.039 3.609 3.396 1.00 0.00 C ATOM 713 SG CYS A 50 2.477 4.689 3.199 1.00 0.00 S ATOM 0 H CYS A 50 -0.724 1.869 4.425 1.00 0.00 H new ATOM 0 HA CYS A 50 2.033 2.834 5.130 1.00 0.00 H new ATOM 0 HB2 CYS A 50 1.084 2.790 2.678 1.00 0.00 H new ATOM 0 HB3 CYS A 50 0.123 4.163 3.190 1.00 0.00 H new ATOM 718 N ILE A 51 1.172 4.570 6.709 1.00 0.00 N ATOM 719 CA ILE A 51 0.641 5.566 7.680 1.00 0.00 C ATOM 720 C ILE A 51 1.407 6.882 7.554 1.00 0.00 C ATOM 721 O ILE A 51 2.620 6.904 7.462 1.00 0.00 O ATOM 722 CB ILE A 51 0.802 5.008 9.092 1.00 0.00 C ATOM 723 CG1 ILE A 51 0.093 3.655 9.168 1.00 0.00 C ATOM 724 CG2 ILE A 51 0.178 5.972 10.101 1.00 0.00 C ATOM 725 CD1 ILE A 51 0.497 2.927 10.450 1.00 0.00 C ATOM 0 H ILE A 51 2.149 4.312 6.846 1.00 0.00 H new ATOM 0 HA ILE A 51 -0.412 5.755 7.472 1.00 0.00 H new ATOM 0 HB ILE A 51 1.860 4.887 9.325 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -0.987 3.799 9.146 1.00 0.00 H new ATOM 0 HG13 ILE A 51 0.351 3.050 8.299 1.00 0.00 H new ATOM 0 HG21 ILE A 51 0.295 5.571 11.108 1.00 0.00 H new ATOM 0 HG22 ILE A 51 0.676 6.939 10.036 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -0.882 6.094 9.880 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -0.012 1.964 10.497 1.00 0.00 H new ATOM 0 HD12 ILE A 51 1.575 2.768 10.454 1.00 0.00 H new ATOM 0 HD13 ILE A 51 0.216 3.529 11.314 1.00 0.00 H new ATOM 737 N ALA A 52 0.698 7.981 7.550 1.00 0.00 N ATOM 738 CA ALA A 52 1.364 9.307 7.433 1.00 0.00 C ATOM 739 C ALA A 52 0.318 10.413 7.598 1.00 0.00 C ATOM 740 O ALA A 52 0.602 11.477 8.111 1.00 0.00 O ATOM 741 CB ALA A 52 2.022 9.429 6.060 1.00 0.00 C ATOM 0 H ALA A 52 -0.319 8.014 7.623 1.00 0.00 H new ATOM 0 HA ALA A 52 2.125 9.403 8.208 1.00 0.00 H new ATOM 0 HB1 ALA A 52 2.509 10.400 5.975 1.00 0.00 H new ATOM 0 HB2 ALA A 52 2.764 8.639 5.940 1.00 0.00 H new ATOM 0 HB3 ALA A 52 1.263 9.335 5.283 1.00 0.00 H new ATOM 747 N LEU A 53 -0.891 10.162 7.169 1.00 0.00 N ATOM 748 CA LEU A 53 -1.966 11.189 7.300 1.00 0.00 C ATOM 749 C LEU A 53 -3.149 10.584 8.063 1.00 0.00 C ATOM 750 O LEU A 53 -3.288 9.380 8.144 1.00 0.00 O ATOM 751 CB LEU A 53 -2.424 11.624 5.907 1.00 0.00 C ATOM 752 CG LEU A 53 -1.789 12.970 5.557 1.00 0.00 C ATOM 753 CD1 LEU A 53 -0.268 12.818 5.493 1.00 0.00 C ATOM 754 CD2 LEU A 53 -2.311 13.442 4.199 1.00 0.00 C ATOM 0 H LEU A 53 -1.181 9.287 6.732 1.00 0.00 H new ATOM 0 HA LEU A 53 -1.585 12.054 7.842 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -2.141 10.874 5.169 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -3.511 11.705 5.879 1.00 0.00 H new ATOM 0 HG LEU A 53 -2.048 13.702 6.322 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.183 13.778 5.243 1.00 0.00 H new ATOM 0 HD12 LEU A 53 0.105 12.482 6.461 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -0.007 12.085 4.729 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -1.859 14.402 3.949 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -2.052 12.709 3.435 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -3.394 13.552 4.244 1.00 0.00 H new ATOM 766 N PRO A 54 -3.996 11.412 8.618 1.00 0.00 N ATOM 767 CA PRO A 54 -5.183 10.946 9.384 1.00 0.00 C ATOM 768 C PRO A 54 -5.895 9.767 8.705 1.00 0.00 C ATOM 769 O PRO A 54 -5.726 8.629 9.093 1.00 0.00 O ATOM 770 CB PRO A 54 -6.088 12.181 9.443 1.00 0.00 C ATOM 771 CG PRO A 54 -5.175 13.357 9.309 1.00 0.00 C ATOM 772 CD PRO A 54 -3.915 12.882 8.577 1.00 0.00 C ATOM 0 HA PRO A 54 -4.908 10.569 10.369 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -6.826 12.165 8.641 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -6.639 12.218 10.383 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -5.662 14.159 8.753 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -4.920 13.758 10.290 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -3.890 13.250 7.551 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -3.011 13.243 9.067 1.00 0.00 H new ATOM 780 N ASP A 55 -6.683 10.028 7.694 1.00 0.00 N ATOM 781 CA ASP A 55 -7.401 8.921 6.993 1.00 0.00 C ATOM 782 C ASP A 55 -8.190 9.491 5.811 1.00 0.00 C ATOM 783 O ASP A 55 -9.304 9.084 5.546 1.00 0.00 O ATOM 784 CB ASP A 55 -8.375 8.240 7.962 1.00 0.00 C ATOM 785 CG ASP A 55 -9.421 9.252 8.436 1.00 0.00 C ATOM 786 OD1 ASP A 55 -9.511 10.309 7.834 1.00 0.00 O ATOM 787 OD2 ASP A 55 -10.115 8.952 9.394 1.00 0.00 O ATOM 0 H ASP A 55 -6.861 10.961 7.323 1.00 0.00 H new ATOM 0 HA ASP A 55 -6.673 8.193 6.635 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -8.865 7.399 7.470 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -7.831 7.837 8.816 1.00 0.00 H new ATOM 792 N ASN A 56 -7.628 10.432 5.102 1.00 0.00 N ATOM 793 CA ASN A 56 -8.353 11.026 3.944 1.00 0.00 C ATOM 794 C ASN A 56 -7.803 10.451 2.637 1.00 0.00 C ATOM 795 O ASN A 56 -6.607 10.368 2.439 1.00 0.00 O ATOM 796 CB ASN A 56 -8.163 12.544 3.953 1.00 0.00 C ATOM 797 CG ASN A 56 -8.806 13.131 5.211 1.00 0.00 C ATOM 798 OD1 ASN A 56 -9.639 12.502 5.832 1.00 0.00 O ATOM 799 ND2 ASN A 56 -8.449 14.319 5.616 1.00 0.00 N ATOM 0 H ASN A 56 -6.698 10.815 5.275 1.00 0.00 H new ATOM 0 HA ASN A 56 -9.414 10.788 4.022 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -7.101 12.788 3.927 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -8.613 12.983 3.063 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -8.870 14.720 6.454 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -7.749 14.847 5.094 1.00 0.00 H new ATOM 806 N VAL A 57 -8.668 10.056 1.741 1.00 0.00 N ATOM 807 CA VAL A 57 -8.192 9.491 0.447 1.00 0.00 C ATOM 808 C VAL A 57 -7.103 8.452 0.719 1.00 0.00 C ATOM 809 O VAL A 57 -5.942 8.671 0.435 1.00 0.00 O ATOM 810 CB VAL A 57 -7.624 10.613 -0.423 1.00 0.00 C ATOM 811 CG1 VAL A 57 -7.582 10.159 -1.883 1.00 0.00 C ATOM 812 CG2 VAL A 57 -8.516 11.851 -0.301 1.00 0.00 C ATOM 0 H VAL A 57 -9.681 10.100 1.850 1.00 0.00 H new ATOM 0 HA VAL A 57 -9.025 9.018 -0.073 1.00 0.00 H new ATOM 0 HB VAL A 57 -6.615 10.855 -0.090 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -7.177 10.960 -2.502 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -6.949 9.276 -1.971 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -8.591 9.917 -2.218 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -8.113 12.652 -0.920 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -9.525 11.607 -0.634 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -8.546 12.177 0.739 1.00 0.00 H new ATOM 822 N PRO A 58 -7.479 7.333 1.274 1.00 0.00 N ATOM 823 CA PRO A 58 -6.530 6.239 1.604 1.00 0.00 C ATOM 824 C PRO A 58 -6.217 5.357 0.394 1.00 0.00 C ATOM 825 O PRO A 58 -5.112 5.354 -0.113 1.00 0.00 O ATOM 826 CB PRO A 58 -7.272 5.441 2.673 1.00 0.00 C ATOM 827 CG PRO A 58 -8.725 5.652 2.391 1.00 0.00 C ATOM 828 CD PRO A 58 -8.857 6.986 1.646 1.00 0.00 C ATOM 0 HA PRO A 58 -5.563 6.620 1.933 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -7.012 4.384 2.625 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -7.012 5.788 3.673 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -9.122 4.835 1.789 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -9.297 5.672 3.318 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -9.494 6.889 0.767 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -9.303 7.753 2.279 1.00 0.00 H new ATOM 836 N ILE A 59 -7.181 4.610 -0.074 1.00 0.00 N ATOM 837 CA ILE A 59 -6.943 3.736 -1.250 1.00 0.00 C ATOM 838 C ILE A 59 -8.084 3.908 -2.248 1.00 0.00 C ATOM 839 O ILE A 59 -9.170 4.326 -1.896 1.00 0.00 O ATOM 840 CB ILE A 59 -6.861 2.275 -0.791 1.00 0.00 C ATOM 841 CG1 ILE A 59 -8.206 1.838 -0.194 1.00 0.00 C ATOM 842 CG2 ILE A 59 -5.768 2.138 0.270 1.00 0.00 C ATOM 843 CD1 ILE A 59 -8.135 0.360 0.196 1.00 0.00 C ATOM 0 H ILE A 59 -8.125 4.570 0.311 1.00 0.00 H new ATOM 0 HA ILE A 59 -6.004 4.012 -1.730 1.00 0.00 H new ATOM 0 HB ILE A 59 -6.626 1.643 -1.647 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -8.442 2.445 0.680 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -9.006 1.996 -0.918 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -5.707 1.100 0.598 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -4.810 2.441 -0.153 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -6.006 2.775 1.122 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -9.090 0.049 0.620 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -7.918 -0.240 -0.688 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -7.346 0.216 0.934 1.00 0.00 H new ATOM 855 N ARG A 60 -7.847 3.579 -3.486 1.00 0.00 N ATOM 856 CA ARG A 60 -8.915 3.709 -4.512 1.00 0.00 C ATOM 857 C ARG A 60 -9.233 2.320 -5.059 1.00 0.00 C ATOM 858 O ARG A 60 -8.369 1.629 -5.563 1.00 0.00 O ATOM 859 CB ARG A 60 -8.426 4.611 -5.650 1.00 0.00 C ATOM 860 CG ARG A 60 -9.565 4.875 -6.643 1.00 0.00 C ATOM 861 CD ARG A 60 -10.457 6.012 -6.131 1.00 0.00 C ATOM 862 NE ARG A 60 -11.562 6.248 -7.101 1.00 0.00 N ATOM 863 CZ ARG A 60 -12.585 6.984 -6.760 1.00 0.00 C ATOM 864 NH1 ARG A 60 -12.638 7.513 -5.569 1.00 0.00 N ATOM 865 NH2 ARG A 60 -13.553 7.190 -7.611 1.00 0.00 N ATOM 0 H ARG A 60 -6.955 3.224 -3.832 1.00 0.00 H new ATOM 0 HA ARG A 60 -9.808 4.149 -4.069 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -8.061 5.555 -5.245 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -7.588 4.139 -6.163 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -9.154 5.136 -7.619 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -10.157 3.970 -6.778 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -10.865 5.757 -5.153 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -9.869 6.921 -6.004 1.00 0.00 H new ATOM 0 HE ARG A 60 -11.520 5.834 -8.032 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -11.881 7.352 -4.905 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -13.437 8.088 -5.302 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -13.510 6.776 -8.542 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -14.352 7.765 -7.345 1.00 0.00 H new ATOM 879 N ILE A 61 -10.464 1.904 -4.954 1.00 0.00 N ATOM 880 CA ILE A 61 -10.845 0.551 -5.458 1.00 0.00 C ATOM 881 C ILE A 61 -11.868 0.681 -6.590 1.00 0.00 C ATOM 882 O ILE A 61 -13.055 0.538 -6.379 1.00 0.00 O ATOM 883 CB ILE A 61 -11.461 -0.257 -4.315 1.00 0.00 C ATOM 884 CG1 ILE A 61 -10.492 -0.281 -3.133 1.00 0.00 C ATOM 885 CG2 ILE A 61 -11.725 -1.688 -4.788 1.00 0.00 C ATOM 886 CD1 ILE A 61 -11.145 0.392 -1.924 1.00 0.00 C ATOM 0 H ILE A 61 -11.226 2.442 -4.540 1.00 0.00 H new ATOM 0 HA ILE A 61 -9.955 0.046 -5.835 1.00 0.00 H new ATOM 0 HB ILE A 61 -12.400 0.202 -4.007 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -10.224 -1.309 -2.890 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -9.569 0.235 -3.395 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -12.164 -2.265 -3.974 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -12.413 -1.671 -5.633 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -10.786 -2.149 -5.094 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -10.454 0.375 -1.081 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -11.391 1.425 -2.171 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -12.056 -0.144 -1.657 1.00 0.00 H new ATOM 898 N PRO A 62 -11.407 0.945 -7.784 1.00 0.00 N ATOM 899 CA PRO A 62 -12.290 1.090 -8.972 1.00 0.00 C ATOM 900 C PRO A 62 -12.696 -0.271 -9.547 1.00 0.00 C ATOM 901 O PRO A 62 -13.478 -0.358 -10.472 1.00 0.00 O ATOM 902 CB PRO A 62 -11.429 1.863 -9.967 1.00 0.00 C ATOM 903 CG PRO A 62 -10.014 1.529 -9.619 1.00 0.00 C ATOM 904 CD PRO A 62 -9.990 1.133 -8.138 1.00 0.00 C ATOM 0 HA PRO A 62 -13.227 1.593 -8.732 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -11.659 1.573 -10.992 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -11.609 2.935 -9.891 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -9.648 0.712 -10.241 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -9.362 2.384 -9.799 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -9.417 0.219 -7.981 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -9.528 1.908 -7.527 1.00 0.00 H new ATOM 912 N GLY A 63 -12.163 -1.331 -9.004 1.00 0.00 N ATOM 913 CA GLY A 63 -12.507 -2.688 -9.511 1.00 0.00 C ATOM 914 C GLY A 63 -11.397 -3.185 -10.438 1.00 0.00 C ATOM 915 O GLY A 63 -11.412 -4.312 -10.892 1.00 0.00 O ATOM 0 H GLY A 63 -11.501 -1.315 -8.228 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -12.634 -3.378 -8.677 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -13.456 -2.658 -10.047 1.00 0.00 H new ATOM 919 N LYS A 64 -10.431 -2.354 -10.723 1.00 0.00 N ATOM 920 CA LYS A 64 -9.320 -2.782 -11.619 1.00 0.00 C ATOM 921 C LYS A 64 -8.601 -3.985 -11.003 1.00 0.00 C ATOM 922 O LYS A 64 -8.156 -4.876 -11.697 1.00 0.00 O ATOM 923 CB LYS A 64 -8.330 -1.629 -11.800 1.00 0.00 C ATOM 924 CG LYS A 64 -7.272 -2.025 -12.832 1.00 0.00 C ATOM 925 CD LYS A 64 -6.355 -0.832 -13.109 1.00 0.00 C ATOM 926 CE LYS A 64 -5.552 -0.497 -11.852 1.00 0.00 C ATOM 927 NZ LYS A 64 -4.249 0.113 -12.243 1.00 0.00 N ATOM 0 H LYS A 64 -10.364 -1.398 -10.374 1.00 0.00 H new ATOM 0 HA LYS A 64 -9.727 -3.062 -12.591 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -8.855 -0.732 -12.127 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -7.855 -1.391 -10.849 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -6.688 -2.868 -12.464 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -7.753 -2.349 -13.755 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -5.680 -1.064 -13.933 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -6.947 0.031 -13.415 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -6.114 0.192 -11.221 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -5.382 -1.399 -11.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -3.470 -0.435 -11.825 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -4.160 0.107 -13.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -4.207 1.093 -11.897 1.00 0.00 H new ATOM 941 N CYS A 65 -8.485 -4.016 -9.703 1.00 0.00 N ATOM 942 CA CYS A 65 -7.796 -5.163 -9.045 1.00 0.00 C ATOM 943 C CYS A 65 -8.696 -6.398 -9.098 1.00 0.00 C ATOM 944 O CYS A 65 -9.904 -6.294 -9.169 1.00 0.00 O ATOM 945 CB CYS A 65 -7.498 -4.814 -7.585 1.00 0.00 C ATOM 946 SG CYS A 65 -5.984 -3.827 -7.492 1.00 0.00 S ATOM 0 H CYS A 65 -8.837 -3.298 -9.069 1.00 0.00 H new ATOM 0 HA CYS A 65 -6.862 -5.370 -9.567 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -8.332 -4.259 -7.156 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -7.386 -5.726 -6.998 1.00 0.00 H new ATOM 951 N HIS A 66 -8.117 -7.567 -9.063 1.00 0.00 N ATOM 952 CA HIS A 66 -8.939 -8.809 -9.110 1.00 0.00 C ATOM 953 C HIS A 66 -8.413 -9.809 -8.077 1.00 0.00 C ATOM 954 O HIS A 66 -7.463 -10.507 -8.388 1.00 0.00 O ATOM 955 CB HIS A 66 -8.849 -9.427 -10.508 1.00 0.00 C ATOM 956 CG HIS A 66 -9.441 -8.480 -11.513 1.00 0.00 C ATOM 957 ND1 HIS A 66 -8.674 -7.537 -12.183 1.00 0.00 N ATOM 958 CD2 HIS A 66 -10.725 -8.316 -11.976 1.00 0.00 C ATOM 959 CE1 HIS A 66 -9.495 -6.855 -13.004 1.00 0.00 C ATOM 960 NE2 HIS A 66 -10.752 -7.291 -12.914 1.00 0.00 N ATOM 961 OXT HIS A 66 -8.970 -9.858 -6.993 1.00 0.00 O ATOM 0 H HIS A 66 -7.110 -7.716 -9.004 1.00 0.00 H new ATOM 0 HA HIS A 66 -9.977 -8.566 -8.885 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -7.809 -9.637 -10.758 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -9.381 -10.378 -10.532 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -11.580 -8.894 -11.660 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -9.175 -6.054 -13.655 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -11.563 -6.945 -13.426 1.00 0.00 H new