USER MOD reduce.3.24.130724 H: found=0, std=0, add=611, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 610 hydrogens (32 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 NoAdj-H: A 15 HIS HE2 : A 15 HIS NE2 : A 90 HECFE :(H bumps) USER MOD NoAdj-H: A 90 HEC HAC : A 90 HEC CAC : A 14 CYS SG :(H bumps) USER MOD NoAdj-H: A 90 HEC HAB : A 90 HEC CAB : A 11 CYS SG :(H bumps) USER MOD Set 1.1: A 53 MET CE :methyl -176:sc= -1.91! (180deg=-1.93!) USER MOD Set 1.2: A 90 HEC O2A : rot -80:sc= -0.158 USER MOD Single : A 1 GLN : amide:sc= -0.173 X(o=-0.17,f=-0.03) USER MOD Single : A 7 TYR OH : rot 128:sc= 0.19 USER MOD Single : A 8 ASN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 9 LYS NZ :NH3+ -139:sc= 1.06 (180deg=0.504) USER MOD Single : A -3 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot -30:sc= 0.106 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 180:sc= -0.106 USER MOD Single : A 26 HIS : no HD1:sc= -0.128 X(o=-0.13,f=-0.14) USER MOD Single : A 27 ASN : amide:sc= 0.943 K(o=0.94,f=-8.1!) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 ASN :FLIP amide:sc= -0.795 F(o=-2.9!,f=-0.79) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot 79:sc= 0.495 USER MOD Single : A 51 ASN :FLIP amide:sc= 0.142 F(o=-1.3,f=0.14) USER MOD Single : A 58 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 TYR OH : rot 180:sc= -0.0232 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 MET CE :methyl -149:sc= -0.0244 (180deg=-0.317) USER MOD Single : A 75 SER OG : rot 24:sc= 0.0663 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ -103:sc= 1.3 (180deg=-2.3!) USER MOD Single : A 90 HEC O2D : rot 166:sc= -0.0234 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A -3 1.575 -5.805 -17.771 1.00 10.00 N ATOM 2 CA ALA A -3 1.100 -4.829 -16.767 1.00 10.00 C ATOM 3 C ALA A -3 2.296 -4.164 -16.073 1.00 10.00 C ATOM 4 O ALA A -3 3.136 -3.613 -16.777 1.00 10.00 O ATOM 5 CB ALA A -3 0.101 -5.480 -15.803 1.00 10.00 C ATOM 0 H1 ALA A -3 0.758 -6.250 -18.236 1.00 10.00 H new ATOM 0 H2 ALA A -3 2.155 -5.316 -18.483 1.00 10.00 H new ATOM 0 H3 ALA A -3 2.147 -6.536 -17.301 1.00 10.00 H new ATOM 0 HA ALA A -3 0.548 -4.029 -17.261 1.00 10.00 H new ATOM 0 HB1 ALA A -3 -0.234 -4.743 -15.074 1.00 10.00 H new ATOM 0 HB2 ALA A -3 -0.757 -5.852 -16.364 1.00 10.00 H new ATOM 0 HB3 ALA A -3 0.583 -6.309 -15.285 1.00 10.00 H new ATOM 13 N ASP A -2 2.419 -4.273 -14.747 1.00 10.00 N ATOM 14 CA ASP A -2 3.371 -3.496 -13.960 1.00 10.00 C ATOM 15 C ASP A -2 3.566 -4.123 -12.568 1.00 10.00 C ATOM 16 O ASP A -2 3.437 -3.474 -11.535 1.00 10.00 O ATOM 17 CB ASP A -2 2.881 -2.040 -13.913 1.00 10.00 C ATOM 18 CG ASP A -2 1.365 -1.945 -13.830 1.00 10.00 C ATOM 19 OD1 ASP A -2 0.773 -2.575 -12.933 1.00 10.00 O ATOM 20 OD2 ASP A -2 0.831 -1.238 -14.711 1.00 10.00 O ATOM 0 H ASP A -2 1.853 -4.911 -14.187 1.00 10.00 H new ATOM 0 HA ASP A -2 4.358 -3.505 -14.422 1.00 10.00 H new ATOM 0 HB2 ASP A -2 3.322 -1.538 -13.052 1.00 10.00 H new ATOM 0 HB3 ASP A -2 3.228 -1.513 -14.802 1.00 10.00 H new ATOM 25 N LEU A -1 3.944 -5.405 -12.575 1.00 10.00 N ATOM 26 CA LEU A -1 4.165 -6.212 -11.376 1.00 10.00 C ATOM 27 C LEU A -1 5.513 -6.939 -11.392 1.00 10.00 C ATOM 28 O LEU A -1 5.623 -8.084 -10.982 1.00 10.00 O ATOM 29 CB LEU A -1 2.944 -7.108 -11.100 1.00 10.00 C ATOM 30 CG LEU A -1 2.588 -8.271 -12.059 1.00 10.00 C ATOM 31 CD1 LEU A -1 3.104 -8.137 -13.496 1.00 10.00 C ATOM 32 CD2 LEU A -1 2.972 -9.646 -11.494 1.00 10.00 C ATOM 0 H LEU A -1 4.108 -5.922 -13.439 1.00 10.00 H new ATOM 0 HA LEU A -1 4.250 -5.546 -10.517 1.00 10.00 H new ATOM 0 HB2 LEU A -1 3.079 -7.539 -10.108 1.00 10.00 H new ATOM 0 HB3 LEU A -1 2.072 -6.456 -11.048 1.00 10.00 H new ATOM 0 HG LEU A -1 1.503 -8.195 -12.125 1.00 10.00 H new ATOM 0 HD11 LEU A -1 2.796 -9.007 -14.076 1.00 10.00 H new ATOM 0 HD12 LEU A -1 2.692 -7.235 -13.948 1.00 10.00 H new ATOM 0 HD13 LEU A -1 4.192 -8.074 -13.487 1.00 10.00 H new ATOM 0 HD21 LEU A -1 2.699 -10.422 -12.209 1.00 10.00 H new ATOM 0 HD22 LEU A -1 4.047 -9.679 -11.316 1.00 10.00 H new ATOM 0 HD23 LEU A -1 2.443 -9.814 -10.556 1.00 10.00 H new ATOM 44 N GLN A 1 6.557 -6.258 -11.875 1.00 10.00 N ATOM 45 CA GLN A 1 7.886 -6.851 -12.045 1.00 10.00 C ATOM 46 C GLN A 1 8.859 -6.515 -10.908 1.00 10.00 C ATOM 47 O GLN A 1 9.805 -7.265 -10.676 1.00 10.00 O ATOM 48 CB GLN A 1 8.462 -6.456 -13.418 1.00 10.00 C ATOM 49 CG GLN A 1 8.552 -7.658 -14.370 1.00 10.00 C ATOM 50 CD GLN A 1 9.588 -8.689 -13.926 1.00 10.00 C ATOM 51 OE1 GLN A 1 10.766 -8.567 -14.234 1.00 10.00 O ATOM 52 NE2 GLN A 1 9.171 -9.732 -13.221 1.00 10.00 N ATOM 0 H GLN A 1 6.504 -5.280 -12.159 1.00 10.00 H new ATOM 0 HA GLN A 1 7.762 -7.933 -12.003 1.00 10.00 H new ATOM 0 HB2 GLN A 1 7.836 -5.685 -13.866 1.00 10.00 H new ATOM 0 HB3 GLN A 1 9.454 -6.024 -13.285 1.00 10.00 H new ATOM 0 HG2 GLN A 1 7.575 -8.137 -14.436 1.00 10.00 H new ATOM 0 HG3 GLN A 1 8.803 -7.305 -15.370 1.00 10.00 H new ATOM 0 HE21 GLN A 1 8.186 -9.819 -12.973 1.00 10.00 H new ATOM 0 HE22 GLN A 1 9.836 -10.448 -12.927 1.00 10.00 H new ATOM 61 N ASP A 2 8.624 -5.407 -10.201 1.00 10.00 N ATOM 62 CA ASP A 2 9.346 -5.048 -8.996 1.00 10.00 C ATOM 63 C ASP A 2 8.357 -4.394 -8.025 1.00 10.00 C ATOM 64 O ASP A 2 7.637 -3.468 -8.392 1.00 10.00 O ATOM 65 CB ASP A 2 10.524 -4.131 -9.353 1.00 10.00 C ATOM 66 CG ASP A 2 11.459 -3.909 -8.173 1.00 10.00 C ATOM 67 OD1 ASP A 2 10.940 -3.882 -7.035 1.00 10.00 O ATOM 68 OD2 ASP A 2 12.668 -3.767 -8.436 1.00 10.00 O ATOM 0 H ASP A 2 7.911 -4.726 -10.462 1.00 10.00 H new ATOM 0 HA ASP A 2 9.771 -5.926 -8.510 1.00 10.00 H new ATOM 0 HB2 ASP A 2 11.084 -4.567 -10.181 1.00 10.00 H new ATOM 0 HB3 ASP A 2 10.142 -3.170 -9.698 1.00 10.00 H new ATOM 73 N ALA A 3 8.322 -4.875 -6.788 1.00 10.00 N ATOM 74 CA ALA A 3 7.573 -4.279 -5.696 1.00 10.00 C ATOM 75 C ALA A 3 7.884 -2.789 -5.499 1.00 10.00 C ATOM 76 O ALA A 3 6.972 -1.993 -5.256 1.00 10.00 O ATOM 77 CB ALA A 3 7.901 -5.094 -4.462 1.00 10.00 C ATOM 0 H ALA A 3 8.830 -5.715 -6.512 1.00 10.00 H new ATOM 0 HA ALA A 3 6.505 -4.305 -5.914 1.00 10.00 H new ATOM 0 HB1 ALA A 3 7.363 -4.689 -3.605 1.00 10.00 H new ATOM 0 HB2 ALA A 3 7.603 -6.130 -4.621 1.00 10.00 H new ATOM 0 HB3 ALA A 3 8.973 -5.050 -4.271 1.00 10.00 H new ATOM 83 N GLU A 4 9.154 -2.399 -5.664 1.00 10.00 N ATOM 84 CA GLU A 4 9.533 -0.995 -5.710 1.00 10.00 C ATOM 85 C GLU A 4 8.760 -0.273 -6.816 1.00 10.00 C ATOM 86 O GLU A 4 8.136 0.755 -6.577 1.00 10.00 O ATOM 87 CB GLU A 4 11.052 -0.840 -5.868 1.00 10.00 C ATOM 88 CG GLU A 4 11.444 0.650 -5.938 1.00 10.00 C ATOM 89 CD GLU A 4 12.910 0.911 -5.610 1.00 10.00 C ATOM 90 OE1 GLU A 4 13.760 0.182 -6.160 1.00 10.00 O ATOM 91 OE2 GLU A 4 13.153 1.842 -4.813 1.00 10.00 O ATOM 0 H GLU A 4 9.936 -3.046 -5.768 1.00 10.00 H new ATOM 0 HA GLU A 4 9.266 -0.527 -4.763 1.00 10.00 H new ATOM 0 HB2 GLU A 4 11.560 -1.316 -5.029 1.00 10.00 H new ATOM 0 HB3 GLU A 4 11.383 -1.351 -6.772 1.00 10.00 H new ATOM 0 HG2 GLU A 4 11.232 1.026 -6.939 1.00 10.00 H new ATOM 0 HG3 GLU A 4 10.819 1.214 -5.246 1.00 10.00 H new ATOM 98 N ALA A 5 8.734 -0.845 -8.022 1.00 10.00 N ATOM 99 CA ALA A 5 8.074 -0.229 -9.169 1.00 10.00 C ATOM 100 C ALA A 5 6.554 -0.233 -9.016 1.00 10.00 C ATOM 101 O ALA A 5 5.899 0.725 -9.418 1.00 10.00 O ATOM 102 CB ALA A 5 8.510 -0.903 -10.469 1.00 10.00 C ATOM 0 H ALA A 5 9.169 -1.744 -8.228 1.00 10.00 H new ATOM 0 HA ALA A 5 8.384 0.815 -9.211 1.00 10.00 H new ATOM 0 HB1 ALA A 5 8.006 -0.429 -11.311 1.00 10.00 H new ATOM 0 HB2 ALA A 5 9.589 -0.802 -10.587 1.00 10.00 H new ATOM 0 HB3 ALA A 5 8.246 -1.960 -10.437 1.00 10.00 H new ATOM 108 N ILE A 6 5.989 -1.249 -8.354 1.00 10.00 N ATOM 109 CA ILE A 6 4.556 -1.279 -8.099 1.00 10.00 C ATOM 110 C ILE A 6 4.235 -0.111 -7.177 1.00 10.00 C ATOM 111 O ILE A 6 3.418 0.730 -7.541 1.00 10.00 O ATOM 112 CB ILE A 6 4.157 -2.607 -7.425 1.00 10.00 C ATOM 113 CG1 ILE A 6 4.177 -3.749 -8.446 1.00 10.00 C ATOM 114 CG2 ILE A 6 2.744 -2.530 -6.809 1.00 10.00 C ATOM 115 CD1 ILE A 6 4.317 -5.109 -7.761 1.00 10.00 C ATOM 0 H ILE A 6 6.502 -2.052 -7.990 1.00 10.00 H new ATOM 0 HA ILE A 6 4.001 -1.200 -9.034 1.00 10.00 H new ATOM 0 HB ILE A 6 4.881 -2.794 -6.632 1.00 10.00 H new ATOM 0 HG12 ILE A 6 3.259 -3.729 -9.034 1.00 10.00 H new ATOM 0 HG13 ILE A 6 5.004 -3.603 -9.141 1.00 10.00 H new ATOM 0 HG21 ILE A 6 2.498 -3.484 -6.343 1.00 10.00 H new ATOM 0 HG22 ILE A 6 2.717 -1.741 -6.057 1.00 10.00 H new ATOM 0 HG23 ILE A 6 2.018 -2.310 -7.591 1.00 10.00 H new ATOM 0 HD11 ILE A 6 4.328 -5.897 -8.515 1.00 10.00 H new ATOM 0 HD12 ILE A 6 5.247 -5.137 -7.194 1.00 10.00 H new ATOM 0 HD13 ILE A 6 3.476 -5.265 -7.086 1.00 10.00 H new ATOM 127 N TYR A 7 4.920 0.029 -6.034 1.00 10.00 N ATOM 128 CA TYR A 7 4.534 1.108 -5.135 1.00 10.00 C ATOM 129 C TYR A 7 4.883 2.485 -5.726 1.00 10.00 C ATOM 130 O TYR A 7 4.080 3.413 -5.680 1.00 10.00 O ATOM 131 CB TYR A 7 5.022 0.881 -3.691 1.00 10.00 C ATOM 132 CG TYR A 7 6.261 1.653 -3.308 1.00 10.00 C ATOM 133 CD1 TYR A 7 6.180 3.033 -3.040 1.00 10.00 C ATOM 134 CD2 TYR A 7 7.510 1.022 -3.360 1.00 10.00 C ATOM 135 CE1 TYR A 7 7.350 3.807 -3.004 1.00 10.00 C ATOM 136 CE2 TYR A 7 8.676 1.800 -3.331 1.00 10.00 C ATOM 137 CZ TYR A 7 8.598 3.191 -3.179 1.00 10.00 C ATOM 138 OH TYR A 7 9.730 3.942 -3.194 1.00 10.00 O ATOM 0 H TYR A 7 5.698 -0.556 -5.728 1.00 10.00 H new ATOM 0 HA TYR A 7 3.447 1.099 -5.049 1.00 10.00 H new ATOM 0 HB2 TYR A 7 4.218 1.150 -3.005 1.00 10.00 H new ATOM 0 HB3 TYR A 7 5.217 -0.182 -3.552 1.00 10.00 H new ATOM 0 HD1 TYR A 7 5.220 3.495 -2.863 1.00 10.00 H new ATOM 0 HD2 TYR A 7 7.575 -0.054 -3.422 1.00 10.00 H new ATOM 0 HE1 TYR A 7 7.290 4.873 -2.842 1.00 10.00 H new ATOM 0 HE2 TYR A 7 9.641 1.324 -3.426 1.00 10.00 H new ATOM 0 HH TYR A 7 10.378 3.570 -2.560 1.00 10.00 H new ATOM 148 N ASN A 8 6.069 2.603 -6.321 1.00 10.00 N ATOM 149 CA ASN A 8 6.620 3.828 -6.880 1.00 10.00 C ATOM 150 C ASN A 8 5.899 4.287 -8.157 1.00 10.00 C ATOM 151 O ASN A 8 5.933 5.469 -8.474 1.00 10.00 O ATOM 152 CB ASN A 8 8.120 3.608 -7.095 1.00 10.00 C ATOM 153 CG ASN A 8 8.898 4.876 -7.402 1.00 10.00 C ATOM 154 OD1 ASN A 8 8.632 5.941 -6.861 1.00 10.00 O ATOM 155 ND2 ASN A 8 9.907 4.768 -8.253 1.00 10.00 N ATOM 0 H ASN A 8 6.698 1.808 -6.429 1.00 10.00 H new ATOM 0 HA ASN A 8 6.463 4.648 -6.179 1.00 10.00 H new ATOM 0 HB2 ASN A 8 8.540 3.145 -6.202 1.00 10.00 H new ATOM 0 HB3 ASN A 8 8.259 2.903 -7.915 1.00 10.00 H new ATOM 0 HD21 ASN A 8 10.481 5.583 -8.469 1.00 10.00 H new ATOM 0 HD22 ASN A 8 10.110 3.870 -8.692 1.00 10.00 H new ATOM 162 N LYS A 9 5.241 3.382 -8.896 1.00 10.00 N ATOM 163 CA LYS A 9 4.313 3.746 -9.970 1.00 10.00 C ATOM 164 C LYS A 9 2.880 3.952 -9.448 1.00 10.00 C ATOM 165 O LYS A 9 2.141 4.753 -10.018 1.00 10.00 O ATOM 166 CB LYS A 9 4.376 2.705 -11.104 1.00 10.00 C ATOM 167 CG LYS A 9 3.726 3.185 -12.418 1.00 10.00 C ATOM 168 CD LYS A 9 2.244 2.792 -12.563 1.00 10.00 C ATOM 169 CE LYS A 9 2.051 1.324 -12.968 1.00 10.00 C ATOM 170 NZ LYS A 9 1.780 1.191 -14.415 1.00 10.00 N ATOM 0 H LYS A 9 5.339 2.375 -8.763 1.00 10.00 H new ATOM 0 HA LYS A 9 4.625 4.707 -10.379 1.00 10.00 H new ATOM 0 HB2 LYS A 9 5.419 2.451 -11.295 1.00 10.00 H new ATOM 0 HB3 LYS A 9 3.880 1.791 -10.776 1.00 10.00 H new ATOM 0 HG2 LYS A 9 3.811 4.270 -12.479 1.00 10.00 H new ATOM 0 HG3 LYS A 9 4.284 2.774 -13.259 1.00 10.00 H new ATOM 0 HD2 LYS A 9 1.731 2.973 -11.618 1.00 10.00 H new ATOM 0 HD3 LYS A 9 1.775 3.434 -13.309 1.00 10.00 H new ATOM 0 HE2 LYS A 9 2.944 0.754 -12.710 1.00 10.00 H new ATOM 0 HE3 LYS A 9 1.225 0.895 -12.401 1.00 10.00 H new ATOM 0 HZ1 LYS A 9 1.039 0.477 -14.565 1.00 10.00 H new ATOM 0 HZ2 LYS A 9 1.462 2.106 -14.794 1.00 10.00 H new ATOM 0 HZ3 LYS A 9 2.649 0.897 -14.905 1.00 10.00 H new ATOM 184 N ALA A 10 2.469 3.233 -8.395 1.00 10.00 N ATOM 185 CA ALA A 10 1.086 3.213 -7.920 1.00 10.00 C ATOM 186 C ALA A 10 0.841 4.067 -6.676 1.00 10.00 C ATOM 187 O ALA A 10 0.147 5.081 -6.758 1.00 10.00 O ATOM 188 CB ALA A 10 0.633 1.787 -7.641 1.00 10.00 C ATOM 0 H ALA A 10 3.096 2.645 -7.846 1.00 10.00 H new ATOM 0 HA ALA A 10 0.500 3.651 -8.728 1.00 10.00 H new ATOM 0 HB1 ALA A 10 -0.398 1.795 -7.289 1.00 10.00 H new ATOM 0 HB2 ALA A 10 0.699 1.199 -8.556 1.00 10.00 H new ATOM 0 HB3 ALA A 10 1.273 1.344 -6.878 1.00 10.00 H new ATOM 194 N CYS A 11 1.386 3.689 -5.511 1.00 10.00 N ATOM 195 CA CYS A 11 1.149 4.350 -4.221 1.00 10.00 C ATOM 196 C CYS A 11 1.994 5.652 -4.150 1.00 10.00 C ATOM 197 O CYS A 11 2.604 6.003 -3.144 1.00 10.00 O ATOM 198 CB CYS A 11 1.468 3.414 -3.062 1.00 10.00 C ATOM 199 SG CYS A 11 1.649 1.636 -3.406 1.00 10.00 S ATOM 0 H CYS A 11 2.021 2.894 -5.439 1.00 10.00 H new ATOM 0 HA CYS A 11 0.094 4.611 -4.138 1.00 10.00 H new ATOM 0 HB2 CYS A 11 2.395 3.759 -2.603 1.00 10.00 H new ATOM 0 HB3 CYS A 11 0.681 3.529 -2.317 1.00 10.00 H new ATOM 204 N THR A 12 2.044 6.384 -5.262 1.00 10.00 N ATOM 205 CA THR A 12 2.992 7.450 -5.551 1.00 10.00 C ATOM 206 C THR A 12 2.309 8.768 -5.889 1.00 10.00 C ATOM 207 O THR A 12 2.938 9.819 -5.970 1.00 10.00 O ATOM 208 CB THR A 12 3.897 6.975 -6.689 1.00 10.00 C ATOM 209 OG1 THR A 12 5.008 7.819 -6.778 1.00 10.00 O ATOM 210 CG2 THR A 12 3.162 6.983 -8.037 1.00 10.00 C ATOM 0 H THR A 12 1.385 6.238 -6.027 1.00 10.00 H new ATOM 0 HA THR A 12 3.583 7.656 -4.659 1.00 10.00 H new ATOM 0 HB THR A 12 4.204 5.952 -6.469 1.00 10.00 H new ATOM 0 HG1 THR A 12 4.760 8.719 -6.480 1.00 10.00 H new ATOM 0 HG21 THR A 12 3.837 6.640 -8.821 1.00 10.00 H new ATOM 0 HG22 THR A 12 2.299 6.320 -7.985 1.00 10.00 H new ATOM 0 HG23 THR A 12 2.828 7.996 -8.263 1.00 10.00 H new ATOM 218 N VAL A 13 0.997 8.692 -6.076 1.00 10.00 N ATOM 219 CA VAL A 13 0.142 9.790 -6.460 1.00 10.00 C ATOM 220 C VAL A 13 -0.417 10.425 -5.186 1.00 10.00 C ATOM 221 O VAL A 13 -0.334 11.630 -4.963 1.00 10.00 O ATOM 222 CB VAL A 13 -0.964 9.199 -7.350 1.00 10.00 C ATOM 223 CG1 VAL A 13 -1.852 10.337 -7.827 1.00 10.00 C ATOM 224 CG2 VAL A 13 -0.394 8.455 -8.567 1.00 10.00 C ATOM 0 H VAL A 13 0.484 7.819 -5.956 1.00 10.00 H new ATOM 0 HA VAL A 13 0.667 10.568 -7.015 1.00 10.00 H new ATOM 0 HB VAL A 13 -1.529 8.476 -6.762 1.00 10.00 H new ATOM 0 HG11 VAL A 13 -2.644 9.939 -8.461 1.00 10.00 H new ATOM 0 HG12 VAL A 13 -2.294 10.839 -6.966 1.00 10.00 H new ATOM 0 HG13 VAL A 13 -1.256 11.050 -8.396 1.00 10.00 H new ATOM 0 HG21 VAL A 13 -1.213 8.055 -9.165 1.00 10.00 H new ATOM 0 HG22 VAL A 13 0.195 9.145 -9.172 1.00 10.00 H new ATOM 0 HG23 VAL A 13 0.241 7.636 -8.228 1.00 10.00 H new ATOM 234 N CYS A 14 -0.984 9.564 -4.342 1.00 10.00 N ATOM 235 CA CYS A 14 -1.734 9.915 -3.153 1.00 10.00 C ATOM 236 C CYS A 14 -0.814 9.878 -1.929 1.00 10.00 C ATOM 237 O CYS A 14 -0.655 10.886 -1.248 1.00 10.00 O ATOM 238 CB CYS A 14 -2.881 8.943 -3.063 1.00 10.00 C ATOM 239 SG CYS A 14 -3.776 8.983 -4.633 1.00 10.00 S ATOM 0 H CYS A 14 -0.926 8.555 -4.482 1.00 10.00 H new ATOM 0 HA CYS A 14 -2.131 10.929 -3.196 1.00 10.00 H new ATOM 0 HB2 CYS A 14 -2.513 7.937 -2.860 1.00 10.00 H new ATOM 0 HB3 CYS A 14 -3.544 9.211 -2.240 1.00 10.00 H new ATOM 244 N HIS A 15 -0.178 8.731 -1.675 1.00 10.00 N ATOM 245 CA HIS A 15 0.562 8.460 -0.438 1.00 10.00 C ATOM 246 C HIS A 15 1.896 9.224 -0.358 1.00 10.00 C ATOM 247 O HIS A 15 2.415 9.466 0.732 1.00 10.00 O ATOM 248 CB HIS A 15 0.845 6.955 -0.360 1.00 10.00 C ATOM 249 CG HIS A 15 -0.288 6.061 0.068 1.00 10.00 C ATOM 250 ND1 HIS A 15 -0.194 5.180 1.112 1.00 10.00 N ATOM 251 CD2 HIS A 15 -1.410 5.737 -0.646 1.00 10.00 C ATOM 252 CE1 HIS A 15 -1.249 4.351 1.044 1.00 10.00 C ATOM 253 NE2 HIS A 15 -2.039 4.657 -0.004 1.00 10.00 N ATOM 0 H HIS A 15 -0.162 7.952 -2.333 1.00 10.00 H new ATOM 0 HA HIS A 15 -0.053 8.798 0.396 1.00 10.00 H new ATOM 0 HB2 HIS A 15 1.183 6.624 -1.342 1.00 10.00 H new ATOM 0 HB3 HIS A 15 1.674 6.803 0.331 1.00 10.00 H new ATOM 0 HD1 HIS A 15 0.545 5.157 1.815 1.00 10.00 H new ATOM 0 HD2 HIS A 15 -1.752 6.226 -1.546 1.00 10.00 H new ATOM 0 HE1 HIS A 15 -1.439 3.545 1.738 1.00 10.00 H new ATOM 261 N SER A 16 2.454 9.604 -1.514 1.00 10.00 N ATOM 262 CA SER A 16 3.780 10.220 -1.609 1.00 10.00 C ATOM 263 C SER A 16 3.827 11.559 -0.866 1.00 10.00 C ATOM 264 O SER A 16 4.796 11.888 -0.184 1.00 10.00 O ATOM 265 CB SER A 16 4.165 10.392 -3.081 1.00 10.00 C ATOM 266 OG SER A 16 5.554 10.634 -3.195 1.00 10.00 O ATOM 0 H SER A 16 1.993 9.491 -2.417 1.00 10.00 H new ATOM 0 HA SER A 16 4.505 9.562 -1.130 1.00 10.00 H new ATOM 0 HB2 SER A 16 3.897 9.497 -3.642 1.00 10.00 H new ATOM 0 HB3 SER A 16 3.607 11.221 -3.517 1.00 10.00 H new ATOM 0 HG SER A 16 5.791 10.741 -4.140 1.00 10.00 H new ATOM 272 N MET A 17 2.735 12.319 -1.014 1.00 10.00 N ATOM 273 CA MET A 17 2.543 13.647 -0.445 1.00 10.00 C ATOM 274 C MET A 17 1.348 13.701 0.525 1.00 10.00 C ATOM 275 O MET A 17 1.373 14.470 1.483 1.00 10.00 O ATOM 276 CB MET A 17 2.366 14.635 -1.609 1.00 10.00 C ATOM 277 CG MET A 17 3.078 15.966 -1.340 1.00 10.00 C ATOM 278 SD MET A 17 4.885 15.907 -1.479 1.00 10.00 S ATOM 279 CE MET A 17 5.278 17.647 -1.234 1.00 10.00 C ATOM 0 H MET A 17 1.930 12.007 -1.558 1.00 10.00 H new ATOM 0 HA MET A 17 3.416 13.915 0.150 1.00 10.00 H new ATOM 0 HB2 MET A 17 2.758 14.192 -2.525 1.00 10.00 H new ATOM 0 HB3 MET A 17 1.304 14.818 -1.772 1.00 10.00 H new ATOM 0 HG2 MET A 17 2.699 16.712 -2.038 1.00 10.00 H new ATOM 0 HG3 MET A 17 2.816 16.305 -0.338 1.00 10.00 H new ATOM 0 HE1 MET A 17 6.357 17.788 -1.289 1.00 10.00 H new ATOM 0 HE2 MET A 17 4.794 18.242 -2.009 1.00 10.00 H new ATOM 0 HE3 MET A 17 4.920 17.966 -0.255 1.00 10.00 H new ATOM 289 N GLY A 18 0.301 12.904 0.272 1.00 10.00 N ATOM 290 CA GLY A 18 -0.939 12.883 1.052 1.00 10.00 C ATOM 291 C GLY A 18 -1.999 13.864 0.535 1.00 10.00 C ATOM 292 O GLY A 18 -2.459 14.728 1.277 1.00 10.00 O ATOM 0 H GLY A 18 0.295 12.239 -0.502 1.00 10.00 H new ATOM 0 HA2 GLY A 18 -1.351 11.874 1.039 1.00 10.00 H new ATOM 0 HA3 GLY A 18 -0.710 13.121 2.091 1.00 10.00 H new ATOM 296 N VAL A 19 -2.423 13.724 -0.728 1.00 10.00 N ATOM 297 CA VAL A 19 -3.382 14.651 -1.355 1.00 10.00 C ATOM 298 C VAL A 19 -4.828 14.325 -1.003 1.00 10.00 C ATOM 299 O VAL A 19 -5.541 15.130 -0.411 1.00 10.00 O ATOM 300 CB VAL A 19 -3.171 14.735 -2.880 1.00 10.00 C ATOM 301 CG1 VAL A 19 -4.196 15.677 -3.532 1.00 10.00 C ATOM 302 CG2 VAL A 19 -1.765 15.253 -3.202 1.00 10.00 C ATOM 0 H VAL A 19 -2.115 12.971 -1.343 1.00 10.00 H new ATOM 0 HA VAL A 19 -3.180 15.638 -0.939 1.00 10.00 H new ATOM 0 HB VAL A 19 -3.299 13.729 -3.278 1.00 10.00 H new ATOM 0 HG11 VAL A 19 -4.022 15.716 -4.607 1.00 10.00 H new ATOM 0 HG12 VAL A 19 -5.203 15.307 -3.340 1.00 10.00 H new ATOM 0 HG13 VAL A 19 -4.090 16.677 -3.111 1.00 10.00 H new ATOM 0 HG21 VAL A 19 -1.635 15.305 -4.283 1.00 10.00 H new ATOM 0 HG22 VAL A 19 -1.636 16.247 -2.773 1.00 10.00 H new ATOM 0 HG23 VAL A 19 -1.022 14.576 -2.780 1.00 10.00 H new ATOM 312 N ALA A 20 -5.257 13.106 -1.306 1.00 10.00 N ATOM 313 CA ALA A 20 -6.608 12.625 -1.036 1.00 10.00 C ATOM 314 C ALA A 20 -6.747 12.154 0.419 1.00 10.00 C ATOM 315 O ALA A 20 -7.466 11.206 0.715 1.00 10.00 O ATOM 316 CB ALA A 20 -6.880 11.503 -2.031 1.00 10.00 C ATOM 0 H ALA A 20 -4.664 12.409 -1.756 1.00 10.00 H new ATOM 0 HA ALA A 20 -7.342 13.422 -1.158 1.00 10.00 H new ATOM 0 HB1 ALA A 20 -7.883 11.108 -1.869 1.00 10.00 H new ATOM 0 HB2 ALA A 20 -6.802 11.891 -3.047 1.00 10.00 H new ATOM 0 HB3 ALA A 20 -6.149 10.706 -1.890 1.00 10.00 H new ATOM 322 N GLY A 21 -5.990 12.786 1.319 1.00 10.00 N ATOM 323 CA GLY A 21 -5.827 12.339 2.700 1.00 10.00 C ATOM 324 C GLY A 21 -5.175 10.953 2.797 1.00 10.00 C ATOM 325 O GLY A 21 -5.369 10.235 3.775 1.00 10.00 O ATOM 0 H GLY A 21 -5.467 13.635 1.104 1.00 10.00 H new ATOM 0 HA2 GLY A 21 -5.218 13.062 3.243 1.00 10.00 H new ATOM 0 HA3 GLY A 21 -6.802 12.313 3.187 1.00 10.00 H new ATOM 329 N ALA A 22 -4.388 10.574 1.784 1.00 10.00 N ATOM 330 CA ALA A 22 -3.659 9.313 1.775 1.00 10.00 C ATOM 331 C ALA A 22 -2.515 9.316 2.806 1.00 10.00 C ATOM 332 O ALA A 22 -1.937 10.367 3.089 1.00 10.00 O ATOM 333 CB ALA A 22 -3.154 9.026 0.361 1.00 10.00 C ATOM 0 H ALA A 22 -4.242 11.139 0.947 1.00 10.00 H new ATOM 0 HA ALA A 22 -4.335 8.510 2.069 1.00 10.00 H new ATOM 0 HB1 ALA A 22 -2.608 8.082 0.354 1.00 10.00 H new ATOM 0 HB2 ALA A 22 -4.001 8.960 -0.322 1.00 10.00 H new ATOM 0 HB3 ALA A 22 -2.492 9.830 0.041 1.00 10.00 H new ATOM 339 N PRO A 23 -2.193 8.149 3.384 1.00 10.00 N ATOM 340 CA PRO A 23 -1.269 8.040 4.500 1.00 10.00 C ATOM 341 C PRO A 23 0.191 8.151 4.041 1.00 10.00 C ATOM 342 O PRO A 23 0.560 7.642 2.983 1.00 10.00 O ATOM 343 CB PRO A 23 -1.577 6.676 5.122 1.00 10.00 C ATOM 344 CG PRO A 23 -2.012 5.853 3.916 1.00 10.00 C ATOM 345 CD PRO A 23 -2.786 6.861 3.076 1.00 10.00 C ATOM 0 HA PRO A 23 -1.393 8.850 5.219 1.00 10.00 H new ATOM 0 HB2 PRO A 23 -0.703 6.247 5.612 1.00 10.00 H new ATOM 0 HB3 PRO A 23 -2.364 6.741 5.874 1.00 10.00 H new ATOM 0 HG2 PRO A 23 -1.157 5.448 3.374 1.00 10.00 H new ATOM 0 HG3 PRO A 23 -2.635 5.007 4.208 1.00 10.00 H new ATOM 0 HD2 PRO A 23 -2.703 6.634 2.013 1.00 10.00 H new ATOM 0 HD3 PRO A 23 -3.847 6.847 3.323 1.00 10.00 H new ATOM 353 N LYS A 24 1.023 8.814 4.851 1.00 10.00 N ATOM 354 CA LYS A 24 2.407 9.167 4.520 1.00 10.00 C ATOM 355 C LYS A 24 3.267 7.983 4.042 1.00 10.00 C ATOM 356 O LYS A 24 3.363 6.956 4.720 1.00 10.00 O ATOM 357 CB LYS A 24 3.058 9.860 5.731 1.00 10.00 C ATOM 358 CG LYS A 24 3.129 11.389 5.596 1.00 10.00 C ATOM 359 CD LYS A 24 4.566 11.819 5.257 1.00 10.00 C ATOM 360 CE LYS A 24 4.613 13.282 4.791 1.00 10.00 C ATOM 361 NZ LYS A 24 5.760 14.012 5.373 1.00 10.00 N ATOM 0 H LYS A 24 0.744 9.128 5.780 1.00 10.00 H new ATOM 0 HA LYS A 24 2.362 9.846 3.669 1.00 10.00 H new ATOM 0 HB2 LYS A 24 2.495 9.608 6.630 1.00 10.00 H new ATOM 0 HB3 LYS A 24 4.066 9.468 5.866 1.00 10.00 H new ATOM 0 HG2 LYS A 24 2.446 11.726 4.816 1.00 10.00 H new ATOM 0 HG3 LYS A 24 2.809 11.860 6.525 1.00 10.00 H new ATOM 0 HD2 LYS A 24 5.202 11.693 6.133 1.00 10.00 H new ATOM 0 HD3 LYS A 24 4.967 11.173 4.476 1.00 10.00 H new ATOM 0 HE2 LYS A 24 4.677 13.314 3.703 1.00 10.00 H new ATOM 0 HE3 LYS A 24 3.686 13.782 5.071 1.00 10.00 H new ATOM 0 HZ1 LYS A 24 5.755 14.995 5.033 1.00 10.00 H new ATOM 0 HZ2 LYS A 24 5.686 14.004 6.410 1.00 10.00 H new ATOM 0 HZ3 LYS A 24 6.647 13.551 5.085 1.00 10.00 H new ATOM 375 N SER A 25 3.948 8.187 2.907 1.00 10.00 N ATOM 376 CA SER A 25 4.811 7.260 2.173 1.00 10.00 C ATOM 377 C SER A 25 5.290 6.042 2.958 1.00 10.00 C ATOM 378 O SER A 25 4.815 4.936 2.738 1.00 10.00 O ATOM 379 CB SER A 25 5.985 8.039 1.555 1.00 10.00 C ATOM 380 OG SER A 25 5.509 9.272 1.057 1.00 10.00 O ATOM 0 H SER A 25 3.902 9.091 2.437 1.00 10.00 H new ATOM 0 HA SER A 25 4.190 6.825 1.390 1.00 10.00 H new ATOM 0 HB2 SER A 25 6.759 8.209 2.303 1.00 10.00 H new ATOM 0 HB3 SER A 25 6.440 7.459 0.752 1.00 10.00 H new ATOM 0 HG SER A 25 6.252 9.774 0.663 1.00 10.00 H new ATOM 386 N HIS A 26 6.234 6.246 3.875 1.00 10.00 N ATOM 387 CA HIS A 26 6.614 5.227 4.835 1.00 10.00 C ATOM 388 C HIS A 26 6.995 5.898 6.151 1.00 10.00 C ATOM 389 O HIS A 26 7.920 6.705 6.212 1.00 10.00 O ATOM 390 CB HIS A 26 7.699 4.304 4.275 1.00 10.00 C ATOM 391 CG HIS A 26 9.094 4.868 4.229 1.00 10.00 C ATOM 392 ND1 HIS A 26 9.468 6.057 3.647 1.00 10.00 N ATOM 393 CD2 HIS A 26 10.204 4.332 4.827 1.00 10.00 C ATOM 394 CE1 HIS A 26 10.776 6.236 3.899 1.00 10.00 C ATOM 395 NE2 HIS A 26 11.270 5.212 4.610 1.00 10.00 N ATOM 0 H HIS A 26 6.751 7.120 3.968 1.00 10.00 H new ATOM 0 HA HIS A 26 5.767 4.571 5.036 1.00 10.00 H new ATOM 0 HB2 HIS A 26 7.717 3.394 4.875 1.00 10.00 H new ATOM 0 HB3 HIS A 26 7.413 4.014 3.264 1.00 10.00 H new ATOM 0 HD2 HIS A 26 10.248 3.399 5.368 1.00 10.00 H new ATOM 0 HE1 HIS A 26 11.352 7.090 3.573 1.00 10.00 H new ATOM 0 HE2 HIS A 26 12.232 5.097 4.929 1.00 10.00 H new ATOM 403 N ASN A 27 6.217 5.634 7.191 1.00 10.00 N ATOM 404 CA ASN A 27 6.457 6.116 8.530 1.00 10.00 C ATOM 405 C ASN A 27 6.048 5.053 9.556 1.00 10.00 C ATOM 406 O ASN A 27 5.639 3.956 9.178 1.00 10.00 O ATOM 407 CB ASN A 27 5.684 7.421 8.696 1.00 10.00 C ATOM 408 CG ASN A 27 4.176 7.293 8.579 1.00 10.00 C ATOM 409 OD1 ASN A 27 3.501 7.265 9.593 1.00 10.00 O ATOM 410 ND2 ASN A 27 3.601 7.211 7.391 1.00 10.00 N ATOM 0 H ASN A 27 5.377 5.060 7.116 1.00 10.00 H new ATOM 0 HA ASN A 27 7.516 6.310 8.699 1.00 10.00 H new ATOM 0 HB2 ASN A 27 5.923 7.846 9.671 1.00 10.00 H new ATOM 0 HB3 ASN A 27 6.033 8.130 7.945 1.00 10.00 H new ATOM 0 HD21 ASN A 27 2.587 7.124 7.320 1.00 10.00 H new ATOM 0 HD22 ASN A 27 4.171 7.235 6.546 1.00 10.00 H new ATOM 417 N THR A 28 6.130 5.388 10.848 1.00 10.00 N ATOM 418 CA THR A 28 5.577 4.559 11.916 1.00 10.00 C ATOM 419 C THR A 28 4.252 5.107 12.467 1.00 10.00 C ATOM 420 O THR A 28 3.388 4.331 12.831 1.00 10.00 O ATOM 421 CB THR A 28 6.624 4.338 13.012 1.00 10.00 C ATOM 422 OG1 THR A 28 6.163 3.323 13.872 1.00 10.00 O ATOM 423 CG2 THR A 28 6.921 5.584 13.847 1.00 10.00 C ATOM 0 H THR A 28 6.581 6.241 11.179 1.00 10.00 H new ATOM 0 HA THR A 28 5.328 3.588 11.489 1.00 10.00 H new ATOM 0 HB THR A 28 7.553 4.067 12.510 1.00 10.00 H new ATOM 0 HG1 THR A 28 6.824 3.168 14.579 1.00 10.00 H new ATOM 0 HG21 THR A 28 7.671 5.346 14.601 1.00 10.00 H new ATOM 0 HG22 THR A 28 7.296 6.376 13.198 1.00 10.00 H new ATOM 0 HG23 THR A 28 6.007 5.919 14.338 1.00 10.00 H new ATOM 431 N ALA A 29 4.007 6.420 12.459 1.00 10.00 N ATOM 432 CA ALA A 29 2.816 7.005 13.089 1.00 10.00 C ATOM 433 C ALA A 29 1.479 6.508 12.509 1.00 10.00 C ATOM 434 O ALA A 29 0.592 6.058 13.229 1.00 10.00 O ATOM 435 CB ALA A 29 2.905 8.523 12.964 1.00 10.00 C ATOM 0 H ALA A 29 4.622 7.105 12.020 1.00 10.00 H new ATOM 0 HA ALA A 29 2.815 6.684 14.131 1.00 10.00 H new ATOM 0 HB1 ALA A 29 2.029 8.978 13.426 1.00 10.00 H new ATOM 0 HB2 ALA A 29 3.805 8.877 13.466 1.00 10.00 H new ATOM 0 HB3 ALA A 29 2.944 8.800 11.910 1.00 10.00 H new ATOM 441 N ASP A 30 1.338 6.599 11.188 1.00 10.00 N ATOM 442 CA ASP A 30 0.170 6.200 10.416 1.00 10.00 C ATOM 443 C ASP A 30 0.147 4.668 10.246 1.00 10.00 C ATOM 444 O ASP A 30 -0.885 4.048 9.974 1.00 10.00 O ATOM 445 CB ASP A 30 0.285 6.953 9.080 1.00 10.00 C ATOM 446 CG ASP A 30 -1.030 7.210 8.372 1.00 10.00 C ATOM 447 OD1 ASP A 30 -1.941 6.361 8.498 1.00 10.00 O ATOM 448 OD2 ASP A 30 -1.054 8.202 7.619 1.00 10.00 O ATOM 0 H ASP A 30 2.080 6.975 10.597 1.00 10.00 H new ATOM 0 HA ASP A 30 -0.771 6.451 10.906 1.00 10.00 H new ATOM 0 HB2 ASP A 30 0.776 7.909 9.261 1.00 10.00 H new ATOM 0 HB3 ASP A 30 0.933 6.383 8.414 1.00 10.00 H new ATOM 453 N TRP A 31 1.316 4.037 10.382 1.00 10.00 N ATOM 454 CA TRP A 31 1.470 2.590 10.299 1.00 10.00 C ATOM 455 C TRP A 31 1.232 1.888 11.664 1.00 10.00 C ATOM 456 O TRP A 31 0.774 0.745 11.689 1.00 10.00 O ATOM 457 CB TRP A 31 2.819 2.304 9.622 1.00 10.00 C ATOM 458 CG TRP A 31 2.933 2.756 8.181 1.00 10.00 C ATOM 459 CD1 TRP A 31 3.037 4.042 7.771 1.00 10.00 C ATOM 460 CD2 TRP A 31 2.988 1.972 6.947 1.00 10.00 C ATOM 461 NE1 TRP A 31 3.087 4.127 6.399 1.00 10.00 N ATOM 462 CE2 TRP A 31 3.069 2.875 5.839 1.00 10.00 C ATOM 463 CE3 TRP A 31 2.963 0.593 6.643 1.00 10.00 C ATOM 464 CZ2 TRP A 31 3.094 2.440 4.512 1.00 10.00 C ATOM 465 CZ3 TRP A 31 3.024 0.146 5.307 1.00 10.00 C ATOM 466 CH2 TRP A 31 3.054 1.067 4.250 1.00 10.00 C ATOM 0 H TRP A 31 2.193 4.528 10.555 1.00 10.00 H new ATOM 0 HA TRP A 31 0.693 2.145 9.678 1.00 10.00 H new ATOM 0 HB2 TRP A 31 3.606 2.788 10.200 1.00 10.00 H new ATOM 0 HB3 TRP A 31 3.007 1.231 9.664 1.00 10.00 H new ATOM 0 HD1 TRP A 31 3.076 4.892 8.436 1.00 10.00 H new ATOM 0 HE1 TRP A 31 3.131 4.999 5.872 1.00 10.00 H new ATOM 0 HE3 TRP A 31 2.896 -0.128 7.444 1.00 10.00 H new ATOM 0 HZ2 TRP A 31 3.143 3.152 3.702 1.00 10.00 H new ATOM 0 HZ3 TRP A 31 3.048 -0.913 5.096 1.00 10.00 H new ATOM 0 HH2 TRP A 31 3.046 0.714 3.229 1.00 10.00 H new ATOM 477 N GLU A 32 1.430 2.568 12.803 1.00 10.00 N ATOM 478 CA GLU A 32 1.139 2.056 14.148 1.00 10.00 C ATOM 479 C GLU A 32 -0.272 1.451 14.272 1.00 10.00 C ATOM 480 O GLU A 32 -0.392 0.266 14.583 1.00 10.00 O ATOM 481 CB GLU A 32 1.380 3.130 15.228 1.00 10.00 C ATOM 482 CG GLU A 32 2.810 3.133 15.807 1.00 10.00 C ATOM 483 CD GLU A 32 2.824 3.384 17.311 1.00 10.00 C ATOM 484 OE1 GLU A 32 2.518 2.417 18.042 1.00 10.00 O ATOM 485 OE2 GLU A 32 3.129 4.532 17.698 1.00 10.00 O ATOM 0 H GLU A 32 1.808 3.516 12.813 1.00 10.00 H new ATOM 0 HA GLU A 32 1.842 1.240 14.317 1.00 10.00 H new ATOM 0 HB2 GLU A 32 1.170 4.111 14.802 1.00 10.00 H new ATOM 0 HB3 GLU A 32 0.671 2.977 16.041 1.00 10.00 H new ATOM 0 HG2 GLU A 32 3.287 2.176 15.596 1.00 10.00 H new ATOM 0 HG3 GLU A 32 3.401 3.901 15.307 1.00 10.00 H new ATOM 492 N PRO A 33 -1.355 2.194 13.971 1.00 10.00 N ATOM 493 CA PRO A 33 -2.715 1.661 14.036 1.00 10.00 C ATOM 494 C PRO A 33 -3.023 0.620 12.942 1.00 10.00 C ATOM 495 O PRO A 33 -4.178 0.229 12.779 1.00 10.00 O ATOM 496 CB PRO A 33 -3.625 2.891 13.931 1.00 10.00 C ATOM 497 CG PRO A 33 -2.800 3.861 13.091 1.00 10.00 C ATOM 498 CD PRO A 33 -1.381 3.599 13.589 1.00 10.00 C ATOM 0 HA PRO A 33 -2.869 1.108 14.963 1.00 10.00 H new ATOM 0 HB2 PRO A 33 -4.574 2.650 13.453 1.00 10.00 H new ATOM 0 HB3 PRO A 33 -3.858 3.305 14.912 1.00 10.00 H new ATOM 0 HG2 PRO A 33 -2.900 3.661 12.024 1.00 10.00 H new ATOM 0 HG3 PRO A 33 -3.102 4.896 13.251 1.00 10.00 H new ATOM 0 HD2 PRO A 33 -0.647 3.807 12.810 1.00 10.00 H new ATOM 0 HD3 PRO A 33 -1.138 4.240 14.436 1.00 10.00 H new ATOM 506 N ARG A 34 -2.017 0.159 12.191 1.00 10.00 N ATOM 507 CA ARG A 34 -2.117 -0.913 11.209 1.00 10.00 C ATOM 508 C ARG A 34 -1.356 -2.139 11.739 1.00 10.00 C ATOM 509 O ARG A 34 -1.938 -3.215 11.904 1.00 10.00 O ATOM 510 CB ARG A 34 -1.603 -0.387 9.856 1.00 10.00 C ATOM 511 CG ARG A 34 -2.266 0.947 9.462 1.00 10.00 C ATOM 512 CD ARG A 34 -3.726 0.735 9.035 1.00 10.00 C ATOM 513 NE ARG A 34 -4.629 1.755 9.599 1.00 10.00 N ATOM 514 CZ ARG A 34 -5.966 1.660 9.623 1.00 10.00 C ATOM 515 NH1 ARG A 34 -6.587 0.684 8.969 1.00 10.00 N ATOM 516 NH2 ARG A 34 -6.691 2.539 10.302 1.00 10.00 N ATOM 0 H ARG A 34 -1.074 0.542 12.258 1.00 10.00 H new ATOM 0 HA ARG A 34 -3.146 -1.234 11.048 1.00 10.00 H new ATOM 0 HB2 ARG A 34 -0.522 -0.253 9.907 1.00 10.00 H new ATOM 0 HB3 ARG A 34 -1.796 -1.130 9.082 1.00 10.00 H new ATOM 0 HG2 ARG A 34 -2.227 1.638 10.304 1.00 10.00 H new ATOM 0 HG3 ARG A 34 -1.708 1.407 8.646 1.00 10.00 H new ATOM 0 HD2 ARG A 34 -3.791 0.758 7.947 1.00 10.00 H new ATOM 0 HD3 ARG A 34 -4.055 -0.254 9.353 1.00 10.00 H new ATOM 0 HE ARG A 34 -4.206 2.593 9.999 1.00 10.00 H new ATOM 0 HH11 ARG A 34 -6.046 -0.002 8.442 1.00 10.00 H new ATOM 0 HH12 ARG A 34 -7.605 0.621 8.994 1.00 10.00 H new ATOM 0 HH21 ARG A 34 -6.232 3.294 10.811 1.00 10.00 H new ATOM 0 HH22 ARG A 34 -7.708 2.460 10.315 1.00 10.00 H new ATOM 530 N LEU A 35 -0.109 -1.927 12.178 1.00 10.00 N ATOM 531 CA LEU A 35 0.741 -2.888 12.891 1.00 10.00 C ATOM 532 C LEU A 35 0.201 -3.327 14.267 1.00 10.00 C ATOM 533 O LEU A 35 0.890 -4.028 15.005 1.00 10.00 O ATOM 534 CB LEU A 35 2.139 -2.259 13.041 1.00 10.00 C ATOM 535 CG LEU A 35 2.909 -2.321 11.717 1.00 10.00 C ATOM 536 CD1 LEU A 35 3.982 -1.231 11.641 1.00 10.00 C ATOM 537 CD2 LEU A 35 3.563 -3.700 11.572 1.00 10.00 C ATOM 0 H LEU A 35 0.359 -1.032 12.038 1.00 10.00 H new ATOM 0 HA LEU A 35 0.766 -3.803 12.299 1.00 10.00 H new ATOM 0 HB2 LEU A 35 2.043 -1.222 13.363 1.00 10.00 H new ATOM 0 HB3 LEU A 35 2.697 -2.783 13.816 1.00 10.00 H new ATOM 0 HG LEU A 35 2.203 -2.155 10.904 1.00 10.00 H new ATOM 0 HD11 LEU A 35 4.508 -1.304 10.689 1.00 10.00 H new ATOM 0 HD12 LEU A 35 3.511 -0.251 11.721 1.00 10.00 H new ATOM 0 HD13 LEU A 35 4.691 -1.361 12.459 1.00 10.00 H new ATOM 0 HD21 LEU A 35 4.111 -3.746 10.631 1.00 10.00 H new ATOM 0 HD22 LEU A 35 4.251 -3.865 12.401 1.00 10.00 H new ATOM 0 HD23 LEU A 35 2.792 -4.471 11.581 1.00 10.00 H new ATOM 549 N ALA A 36 -1.037 -2.959 14.601 1.00 10.00 N ATOM 550 CA ALA A 36 -1.735 -3.354 15.814 1.00 10.00 C ATOM 551 C ALA A 36 -2.635 -4.568 15.548 1.00 10.00 C ATOM 552 O ALA A 36 -2.906 -5.359 16.446 1.00 10.00 O ATOM 553 CB ALA A 36 -2.562 -2.164 16.306 1.00 10.00 C ATOM 0 H ALA A 36 -1.600 -2.352 14.005 1.00 10.00 H new ATOM 0 HA ALA A 36 -1.014 -3.642 16.579 1.00 10.00 H new ATOM 0 HB1 ALA A 36 -3.093 -2.442 17.216 1.00 10.00 H new ATOM 0 HB2 ALA A 36 -1.901 -1.323 16.514 1.00 10.00 H new ATOM 0 HB3 ALA A 36 -3.282 -1.879 15.539 1.00 10.00 H new ATOM 559 N LYS A 37 -3.121 -4.692 14.307 1.00 10.00 N ATOM 560 CA LYS A 37 -3.987 -5.780 13.873 1.00 10.00 C ATOM 561 C LYS A 37 -3.144 -6.917 13.284 1.00 10.00 C ATOM 562 O LYS A 37 -3.280 -8.071 13.676 1.00 10.00 O ATOM 563 CB LYS A 37 -4.988 -5.224 12.847 1.00 10.00 C ATOM 564 CG LYS A 37 -5.984 -4.252 13.495 1.00 10.00 C ATOM 565 CD LYS A 37 -7.204 -4.999 14.062 1.00 10.00 C ATOM 566 CE LYS A 37 -7.625 -4.405 15.413 1.00 10.00 C ATOM 567 NZ LYS A 37 -8.944 -4.916 15.844 1.00 10.00 N ATOM 0 H LYS A 37 -2.915 -4.022 13.566 1.00 10.00 H new ATOM 0 HA LYS A 37 -4.540 -6.191 14.718 1.00 10.00 H new ATOM 0 HB2 LYS A 37 -4.447 -4.713 12.050 1.00 10.00 H new ATOM 0 HB3 LYS A 37 -5.532 -6.048 12.385 1.00 10.00 H new ATOM 0 HG2 LYS A 37 -5.489 -3.700 14.294 1.00 10.00 H new ATOM 0 HG3 LYS A 37 -6.313 -3.520 12.758 1.00 10.00 H new ATOM 0 HD2 LYS A 37 -8.034 -4.937 13.358 1.00 10.00 H new ATOM 0 HD3 LYS A 37 -6.966 -6.056 14.182 1.00 10.00 H new ATOM 0 HE2 LYS A 37 -6.876 -4.647 16.167 1.00 10.00 H new ATOM 0 HE3 LYS A 37 -7.662 -3.318 15.338 1.00 10.00 H new ATOM 0 HZ1 LYS A 37 -9.197 -4.494 16.760 1.00 10.00 H new ATOM 0 HZ2 LYS A 37 -9.663 -4.663 15.136 1.00 10.00 H new ATOM 0 HZ3 LYS A 37 -8.901 -5.951 15.939 1.00 10.00 H new ATOM 581 N GLY A 38 -2.300 -6.586 12.300 1.00 10.00 N ATOM 582 CA GLY A 38 -1.444 -7.542 11.603 1.00 10.00 C ATOM 583 C GLY A 38 -0.854 -6.917 10.334 1.00 10.00 C ATOM 584 O GLY A 38 -0.474 -5.749 10.345 1.00 10.00 O ATOM 0 H GLY A 38 -2.194 -5.629 11.963 1.00 10.00 H new ATOM 0 HA2 GLY A 38 -0.639 -7.865 12.263 1.00 10.00 H new ATOM 0 HA3 GLY A 38 -2.019 -8.431 11.343 1.00 10.00 H new ATOM 588 N VAL A 39 -0.789 -7.692 9.246 1.00 10.00 N ATOM 589 CA VAL A 39 -0.171 -7.291 7.979 1.00 10.00 C ATOM 590 C VAL A 39 -1.110 -7.636 6.819 1.00 10.00 C ATOM 591 O VAL A 39 -1.676 -6.762 6.160 1.00 10.00 O ATOM 592 CB VAL A 39 1.205 -7.979 7.852 1.00 10.00 C ATOM 593 CG1 VAL A 39 1.930 -7.585 6.559 1.00 10.00 C ATOM 594 CG2 VAL A 39 2.091 -7.646 9.061 1.00 10.00 C ATOM 0 H VAL A 39 -1.173 -8.636 9.222 1.00 10.00 H new ATOM 0 HA VAL A 39 -0.008 -6.214 7.951 1.00 10.00 H new ATOM 0 HB VAL A 39 1.020 -9.053 7.821 1.00 10.00 H new ATOM 0 HG11 VAL A 39 2.893 -8.093 6.513 1.00 10.00 H new ATOM 0 HG12 VAL A 39 1.325 -7.875 5.700 1.00 10.00 H new ATOM 0 HG13 VAL A 39 2.087 -6.507 6.544 1.00 10.00 H new ATOM 0 HG21 VAL A 39 3.056 -8.141 8.952 1.00 10.00 H new ATOM 0 HG22 VAL A 39 2.240 -6.568 9.117 1.00 10.00 H new ATOM 0 HG23 VAL A 39 1.607 -7.993 9.974 1.00 10.00 H new ATOM 604 N ASP A 40 -1.376 -8.930 6.640 1.00 10.00 N ATOM 605 CA ASP A 40 -2.179 -9.499 5.563 1.00 10.00 C ATOM 606 C ASP A 40 -3.680 -9.092 5.609 1.00 10.00 C ATOM 607 O ASP A 40 -4.498 -9.601 4.845 1.00 10.00 O ATOM 608 CB ASP A 40 -1.948 -11.023 5.589 1.00 10.00 C ATOM 609 CG ASP A 40 -0.486 -11.400 5.828 1.00 10.00 C ATOM 610 OD1 ASP A 40 -0.063 -11.216 6.992 1.00 10.00 O ATOM 611 OD2 ASP A 40 0.197 -11.807 4.863 1.00 10.00 O ATOM 0 H ASP A 40 -1.018 -9.643 7.275 1.00 10.00 H new ATOM 0 HA ASP A 40 -1.857 -9.088 4.606 1.00 10.00 H new ATOM 0 HB2 ASP A 40 -2.564 -11.465 6.372 1.00 10.00 H new ATOM 0 HB3 ASP A 40 -2.278 -11.451 4.643 1.00 10.00 H new ATOM 616 N ASN A 41 -4.038 -8.127 6.468 1.00 10.00 N ATOM 617 CA ASN A 41 -5.353 -7.523 6.658 1.00 10.00 C ATOM 618 C ASN A 41 -5.540 -6.297 5.765 1.00 10.00 C ATOM 619 O ASN A 41 -6.661 -5.829 5.587 1.00 10.00 O ATOM 620 CB ASN A 41 -5.497 -7.004 8.103 1.00 10.00 C ATOM 621 CG ASN A 41 -4.672 -7.685 9.185 1.00 10.00 C ATOM 622 OD1 ASN A 41 -4.306 -6.903 10.186 1.00 10.00 O flip ATOM 623 ND2 ASN A 41 -4.356 -8.866 9.149 1.00 10.00 N flip ATOM 0 H ASN A 41 -3.350 -7.717 7.100 1.00 10.00 H new ATOM 0 HA ASN A 41 -6.084 -8.296 6.421 1.00 10.00 H new ATOM 0 HB2 ASN A 41 -5.243 -5.944 8.105 1.00 10.00 H new ATOM 0 HB3 ASN A 41 -6.547 -7.081 8.384 1.00 10.00 H new ATOM 0 HD21 ASN A 41 -4.651 -9.449 8.366 1.00 10.00 H new ATOM 0 HD22 ASN A 41 -3.798 -9.268 9.902 1.00 10.00 H new ATOM 630 N LEU A 42 -4.431 -5.732 5.290 1.00 10.00 N ATOM 631 CA LEU A 42 -4.389 -4.464 4.577 1.00 10.00 C ATOM 632 C LEU A 42 -4.141 -4.735 3.091 1.00 10.00 C ATOM 633 O LEU A 42 -4.824 -4.192 2.224 1.00 10.00 O ATOM 634 CB LEU A 42 -3.289 -3.626 5.228 1.00 10.00 C ATOM 635 CG LEU A 42 -3.638 -3.309 6.695 1.00 10.00 C ATOM 636 CD1 LEU A 42 -2.400 -3.412 7.586 1.00 10.00 C ATOM 637 CD2 LEU A 42 -4.261 -1.920 6.828 1.00 10.00 C ATOM 0 H LEU A 42 -3.511 -6.160 5.396 1.00 10.00 H new ATOM 0 HA LEU A 42 -5.328 -3.914 4.637 1.00 10.00 H new ATOM 0 HB2 LEU A 42 -2.342 -4.163 5.183 1.00 10.00 H new ATOM 0 HB3 LEU A 42 -3.156 -2.698 4.672 1.00 10.00 H new ATOM 0 HG LEU A 42 -4.369 -4.048 7.023 1.00 10.00 H new ATOM 0 HD11 LEU A 42 -2.673 -3.184 8.616 1.00 10.00 H new ATOM 0 HD12 LEU A 42 -1.997 -4.423 7.533 1.00 10.00 H new ATOM 0 HD13 LEU A 42 -1.646 -2.703 7.245 1.00 10.00 H new ATOM 0 HD21 LEU A 42 -4.496 -1.725 7.874 1.00 10.00 H new ATOM 0 HD22 LEU A 42 -3.557 -1.170 6.469 1.00 10.00 H new ATOM 0 HD23 LEU A 42 -5.175 -1.873 6.236 1.00 10.00 H new ATOM 649 N VAL A 43 -3.244 -5.683 2.797 1.00 10.00 N ATOM 650 CA VAL A 43 -3.076 -6.232 1.453 1.00 10.00 C ATOM 651 C VAL A 43 -4.421 -6.701 0.860 1.00 10.00 C ATOM 652 O VAL A 43 -4.702 -6.492 -0.323 1.00 10.00 O ATOM 653 CB VAL A 43 -1.994 -7.330 1.474 1.00 10.00 C ATOM 654 CG1 VAL A 43 -2.529 -8.706 1.885 1.00 10.00 C ATOM 655 CG2 VAL A 43 -1.310 -7.430 0.110 1.00 10.00 C ATOM 0 H VAL A 43 -2.614 -6.090 3.488 1.00 10.00 H new ATOM 0 HA VAL A 43 -2.727 -5.448 0.781 1.00 10.00 H new ATOM 0 HB VAL A 43 -1.273 -7.030 2.235 1.00 10.00 H new ATOM 0 HG11 VAL A 43 -1.714 -9.430 1.878 1.00 10.00 H new ATOM 0 HG12 VAL A 43 -2.954 -8.647 2.887 1.00 10.00 H new ATOM 0 HG13 VAL A 43 -3.300 -9.021 1.182 1.00 10.00 H new ATOM 0 HG21 VAL A 43 -0.549 -8.209 0.141 1.00 10.00 H new ATOM 0 HG22 VAL A 43 -2.050 -7.676 -0.651 1.00 10.00 H new ATOM 0 HG23 VAL A 43 -0.843 -6.476 -0.133 1.00 10.00 H new ATOM 665 N LYS A 44 -5.307 -7.272 1.691 1.00 10.00 N ATOM 666 CA LYS A 44 -6.659 -7.577 1.236 1.00 10.00 C ATOM 667 C LYS A 44 -7.465 -6.324 0.836 1.00 10.00 C ATOM 668 O LYS A 44 -8.198 -6.346 -0.147 1.00 10.00 O ATOM 669 CB LYS A 44 -7.420 -8.478 2.213 1.00 10.00 C ATOM 670 CG LYS A 44 -7.357 -7.928 3.633 1.00 10.00 C ATOM 671 CD LYS A 44 -8.607 -8.251 4.455 1.00 10.00 C ATOM 672 CE LYS A 44 -9.637 -7.139 4.230 1.00 10.00 C ATOM 673 NZ LYS A 44 -10.959 -7.491 4.791 1.00 10.00 N ATOM 0 H LYS A 44 -5.112 -7.525 2.660 1.00 10.00 H new ATOM 0 HA LYS A 44 -6.536 -8.152 0.318 1.00 10.00 H new ATOM 0 HB2 LYS A 44 -8.460 -8.563 1.899 1.00 10.00 H new ATOM 0 HB3 LYS A 44 -6.997 -9.482 2.190 1.00 10.00 H new ATOM 0 HG2 LYS A 44 -6.482 -8.338 4.137 1.00 10.00 H new ATOM 0 HG3 LYS A 44 -7.225 -6.847 3.593 1.00 10.00 H new ATOM 0 HD2 LYS A 44 -9.019 -9.215 4.156 1.00 10.00 H new ATOM 0 HD3 LYS A 44 -8.356 -8.326 5.513 1.00 10.00 H new ATOM 0 HE2 LYS A 44 -9.282 -6.217 4.689 1.00 10.00 H new ATOM 0 HE3 LYS A 44 -9.736 -6.946 3.162 1.00 10.00 H new ATOM 0 HZ1 LYS A 44 -11.628 -6.713 4.618 1.00 10.00 H new ATOM 0 HZ2 LYS A 44 -11.310 -8.357 4.335 1.00 10.00 H new ATOM 0 HZ3 LYS A 44 -10.870 -7.650 5.815 1.00 10.00 H new ATOM 687 N SER A 45 -7.335 -5.220 1.572 1.00 10.00 N ATOM 688 CA SER A 45 -8.061 -3.988 1.277 1.00 10.00 C ATOM 689 C SER A 45 -7.525 -3.338 -0.003 1.00 10.00 C ATOM 690 O SER A 45 -8.289 -2.840 -0.830 1.00 10.00 O ATOM 691 CB SER A 45 -7.945 -3.043 2.471 1.00 10.00 C ATOM 692 OG SER A 45 -8.567 -3.601 3.614 1.00 10.00 O ATOM 0 H SER A 45 -6.725 -5.156 2.387 1.00 10.00 H new ATOM 0 HA SER A 45 -9.114 -4.215 1.108 1.00 10.00 H new ATOM 0 HB2 SER A 45 -6.894 -2.845 2.683 1.00 10.00 H new ATOM 0 HB3 SER A 45 -8.408 -2.086 2.230 1.00 10.00 H new ATOM 0 HG SER A 45 -8.481 -2.982 4.369 1.00 10.00 H new ATOM 698 N VAL A 46 -6.205 -3.409 -0.198 1.00 10.00 N ATOM 699 CA VAL A 46 -5.539 -2.996 -1.425 1.00 10.00 C ATOM 700 C VAL A 46 -6.181 -3.683 -2.640 1.00 10.00 C ATOM 701 O VAL A 46 -6.621 -3.010 -3.571 1.00 10.00 O ATOM 702 CB VAL A 46 -4.035 -3.279 -1.284 1.00 10.00 C ATOM 703 CG1 VAL A 46 -3.270 -3.324 -2.607 1.00 10.00 C ATOM 704 CG2 VAL A 46 -3.341 -2.314 -0.325 1.00 10.00 C ATOM 0 H VAL A 46 -5.562 -3.763 0.510 1.00 10.00 H new ATOM 0 HA VAL A 46 -5.660 -1.926 -1.593 1.00 10.00 H new ATOM 0 HB VAL A 46 -4.005 -4.284 -0.863 1.00 10.00 H new ATOM 0 HG11 VAL A 46 -2.217 -3.529 -2.412 1.00 10.00 H new ATOM 0 HG12 VAL A 46 -3.682 -4.111 -3.239 1.00 10.00 H new ATOM 0 HG13 VAL A 46 -3.365 -2.364 -3.115 1.00 10.00 H new ATOM 0 HG21 VAL A 46 -2.281 -2.561 -0.264 1.00 10.00 H new ATOM 0 HG22 VAL A 46 -3.456 -1.293 -0.690 1.00 10.00 H new ATOM 0 HG23 VAL A 46 -3.790 -2.398 0.664 1.00 10.00 H new ATOM 714 N LYS A 47 -6.280 -5.018 -2.617 1.00 10.00 N ATOM 715 CA LYS A 47 -6.936 -5.792 -3.679 1.00 10.00 C ATOM 716 C LYS A 47 -8.408 -5.402 -3.876 1.00 10.00 C ATOM 717 O LYS A 47 -8.889 -5.347 -5.004 1.00 10.00 O ATOM 718 CB LYS A 47 -6.669 -7.290 -3.480 1.00 10.00 C ATOM 719 CG LYS A 47 -7.819 -8.085 -2.844 1.00 10.00 C ATOM 720 CD LYS A 47 -7.281 -9.201 -1.940 1.00 10.00 C ATOM 721 CE LYS A 47 -7.300 -10.604 -2.567 1.00 10.00 C ATOM 722 NZ LYS A 47 -8.052 -11.554 -1.718 1.00 10.00 N ATOM 0 H LYS A 47 -5.907 -5.593 -1.861 1.00 10.00 H new ATOM 0 HA LYS A 47 -6.488 -5.533 -4.639 1.00 10.00 H new ATOM 0 HB2 LYS A 47 -6.436 -7.732 -4.449 1.00 10.00 H new ATOM 0 HB3 LYS A 47 -5.782 -7.404 -2.856 1.00 10.00 H new ATOM 0 HG2 LYS A 47 -8.452 -7.414 -2.263 1.00 10.00 H new ATOM 0 HG3 LYS A 47 -8.445 -8.515 -3.626 1.00 10.00 H new ATOM 0 HD2 LYS A 47 -6.257 -8.958 -1.658 1.00 10.00 H new ATOM 0 HD3 LYS A 47 -7.868 -9.221 -1.022 1.00 10.00 H new ATOM 0 HE2 LYS A 47 -7.754 -10.558 -3.557 1.00 10.00 H new ATOM 0 HE3 LYS A 47 -6.279 -10.960 -2.701 1.00 10.00 H new ATOM 0 HZ1 LYS A 47 -8.050 -12.494 -2.163 1.00 10.00 H new ATOM 0 HZ2 LYS A 47 -7.603 -11.613 -0.782 1.00 10.00 H new ATOM 0 HZ3 LYS A 47 -9.032 -11.223 -1.611 1.00 10.00 H new ATOM 736 N THR A 48 -9.103 -5.072 -2.785 1.00 10.00 N ATOM 737 CA THR A 48 -10.514 -4.694 -2.827 1.00 10.00 C ATOM 738 C THR A 48 -10.727 -3.304 -3.442 1.00 10.00 C ATOM 739 O THR A 48 -11.750 -3.091 -4.088 1.00 10.00 O ATOM 740 CB THR A 48 -11.106 -4.765 -1.411 1.00 10.00 C ATOM 741 OG1 THR A 48 -11.059 -6.103 -0.961 1.00 10.00 O ATOM 742 CG2 THR A 48 -12.564 -4.305 -1.331 1.00 10.00 C ATOM 0 H THR A 48 -8.701 -5.060 -1.848 1.00 10.00 H new ATOM 0 HA THR A 48 -11.033 -5.401 -3.474 1.00 10.00 H new ATOM 0 HB THR A 48 -10.509 -4.093 -0.795 1.00 10.00 H new ATOM 0 HG1 THR A 48 -10.151 -6.315 -0.660 1.00 10.00 H new ATOM 0 HG21 THR A 48 -12.914 -4.383 -0.302 1.00 10.00 H new ATOM 0 HG22 THR A 48 -12.637 -3.269 -1.662 1.00 10.00 H new ATOM 0 HG23 THR A 48 -13.180 -4.935 -1.972 1.00 10.00 H new ATOM 750 N GLY A 49 -9.802 -2.353 -3.255 1.00 10.00 N ATOM 751 CA GLY A 49 -10.022 -0.984 -3.710 1.00 10.00 C ATOM 752 C GLY A 49 -10.951 -0.225 -2.756 1.00 10.00 C ATOM 753 O GLY A 49 -12.163 -0.157 -2.952 1.00 10.00 O ATOM 0 H GLY A 49 -8.905 -2.509 -2.796 1.00 10.00 H new ATOM 0 HA2 GLY A 49 -9.067 -0.464 -3.782 1.00 10.00 H new ATOM 0 HA3 GLY A 49 -10.455 -0.996 -4.710 1.00 10.00 H new ATOM 757 N LEU A 50 -10.368 0.345 -1.698 1.00 10.00 N ATOM 758 CA LEU A 50 -11.032 1.278 -0.782 1.00 10.00 C ATOM 759 C LEU A 50 -11.593 2.510 -1.534 1.00 10.00 C ATOM 760 O LEU A 50 -11.318 2.710 -2.713 1.00 10.00 O ATOM 761 CB LEU A 50 -10.007 1.688 0.295 1.00 10.00 C ATOM 762 CG LEU A 50 -10.356 1.400 1.762 1.00 10.00 C ATOM 763 CD1 LEU A 50 -11.512 2.258 2.274 1.00 10.00 C ATOM 764 CD2 LEU A 50 -10.639 -0.086 1.994 1.00 10.00 C ATOM 0 H LEU A 50 -9.396 0.166 -1.448 1.00 10.00 H new ATOM 0 HA LEU A 50 -11.890 0.795 -0.314 1.00 10.00 H new ATOM 0 HB2 LEU A 50 -9.066 1.186 0.070 1.00 10.00 H new ATOM 0 HB3 LEU A 50 -9.829 2.759 0.197 1.00 10.00 H new ATOM 0 HG LEU A 50 -9.474 1.674 2.341 1.00 10.00 H new ATOM 0 HD11 LEU A 50 -11.714 2.011 3.316 1.00 10.00 H new ATOM 0 HD12 LEU A 50 -11.245 3.312 2.196 1.00 10.00 H new ATOM 0 HD13 LEU A 50 -12.402 2.064 1.676 1.00 10.00 H new ATOM 0 HD21 LEU A 50 -10.882 -0.251 3.044 1.00 10.00 H new ATOM 0 HD22 LEU A 50 -11.479 -0.397 1.374 1.00 10.00 H new ATOM 0 HD23 LEU A 50 -9.757 -0.670 1.730 1.00 10.00 H new ATOM 776 N ASN A 51 -12.359 3.370 -0.854 1.00 10.00 N ATOM 777 CA ASN A 51 -13.120 4.475 -1.476 1.00 10.00 C ATOM 778 C ASN A 51 -12.295 5.280 -2.467 1.00 10.00 C ATOM 779 O ASN A 51 -12.635 5.427 -3.637 1.00 10.00 O ATOM 780 CB ASN A 51 -13.665 5.457 -0.425 1.00 10.00 C ATOM 781 CG ASN A 51 -14.661 4.720 0.424 1.00 10.00 C ATOM 782 OD1 ASN A 51 -14.123 4.031 1.410 1.00 10.00 O flip ATOM 783 ND2 ASN A 51 -15.836 4.612 0.102 1.00 10.00 N flip ATOM 0 H ASN A 51 -12.474 3.323 0.158 1.00 10.00 H new ATOM 0 HA ASN A 51 -13.939 3.985 -2.002 1.00 10.00 H new ATOM 0 HB2 ASN A 51 -12.854 5.846 0.190 1.00 10.00 H new ATOM 0 HB3 ASN A 51 -14.136 6.312 -0.910 1.00 10.00 H new ATOM 0 HD21 ASN A 51 -16.207 5.167 -0.669 1.00 10.00 H new ATOM 0 HD22 ASN A 51 -16.445 3.966 0.605 1.00 10.00 H new ATOM 790 N ALA A 52 -11.200 5.811 -1.940 1.00 10.00 N ATOM 791 CA ALA A 52 -10.252 6.624 -2.664 1.00 10.00 C ATOM 792 C ALA A 52 -9.004 5.803 -3.030 1.00 10.00 C ATOM 793 O ALA A 52 -7.912 6.356 -3.165 1.00 10.00 O ATOM 794 CB ALA A 52 -9.984 7.805 -1.739 1.00 10.00 C ATOM 0 H ALA A 52 -10.945 5.678 -0.961 1.00 10.00 H new ATOM 0 HA ALA A 52 -10.618 6.980 -3.627 1.00 10.00 H new ATOM 0 HB1 ALA A 52 -9.270 8.481 -2.209 1.00 10.00 H new ATOM 0 HB2 ALA A 52 -10.916 8.337 -1.549 1.00 10.00 H new ATOM 0 HB3 ALA A 52 -9.574 7.443 -0.796 1.00 10.00 H new ATOM 800 N MET A 53 -9.176 4.482 -3.192 1.00 10.00 N ATOM 801 CA MET A 53 -8.117 3.537 -3.549 1.00 10.00 C ATOM 802 C MET A 53 -8.441 2.745 -4.834 1.00 10.00 C ATOM 803 O MET A 53 -9.506 2.138 -4.939 1.00 10.00 O ATOM 804 CB MET A 53 -7.914 2.578 -2.371 1.00 10.00 C ATOM 805 CG MET A 53 -6.855 3.079 -1.386 1.00 10.00 C ATOM 806 SD MET A 53 -5.267 2.261 -1.638 1.00 10.00 S ATOM 807 CE MET A 53 -5.564 0.734 -0.700 1.00 10.00 C ATOM 0 H MET A 53 -10.084 4.033 -3.074 1.00 10.00 H new ATOM 0 HA MET A 53 -7.205 4.098 -3.754 1.00 10.00 H new ATOM 0 HB2 MET A 53 -8.860 2.446 -1.847 1.00 10.00 H new ATOM 0 HB3 MET A 53 -7.620 1.599 -2.750 1.00 10.00 H new ATOM 0 HG2 MET A 53 -6.732 4.156 -1.501 1.00 10.00 H new ATOM 0 HG3 MET A 53 -7.196 2.905 -0.366 1.00 10.00 H new ATOM 0 HE1 MET A 53 -4.655 0.133 -0.687 1.00 10.00 H new ATOM 0 HE2 MET A 53 -5.849 0.984 0.322 1.00 10.00 H new ATOM 0 HE3 MET A 53 -6.367 0.168 -1.172 1.00 10.00 H new ATOM 817 N PRO A 54 -7.521 2.698 -5.811 1.00 10.00 N ATOM 818 CA PRO A 54 -7.699 1.910 -7.024 1.00 10.00 C ATOM 819 C PRO A 54 -7.648 0.406 -6.711 1.00 10.00 C ATOM 820 O PRO A 54 -7.069 0.008 -5.696 1.00 10.00 O ATOM 821 CB PRO A 54 -6.569 2.350 -7.961 1.00 10.00 C ATOM 822 CG PRO A 54 -5.486 2.866 -7.018 1.00 10.00 C ATOM 823 CD PRO A 54 -6.234 3.366 -5.794 1.00 10.00 C ATOM 0 HA PRO A 54 -8.672 2.074 -7.487 1.00 10.00 H new ATOM 0 HB2 PRO A 54 -6.207 1.520 -8.567 1.00 10.00 H new ATOM 0 HB3 PRO A 54 -6.901 3.127 -8.650 1.00 10.00 H new ATOM 0 HG2 PRO A 54 -4.783 2.076 -6.755 1.00 10.00 H new ATOM 0 HG3 PRO A 54 -4.908 3.666 -7.481 1.00 10.00 H new ATOM 0 HD2 PRO A 54 -5.686 3.134 -4.881 1.00 10.00 H new ATOM 0 HD3 PRO A 54 -6.356 4.449 -5.827 1.00 10.00 H new ATOM 831 N PRO A 55 -8.235 -0.441 -7.573 1.00 10.00 N ATOM 832 CA PRO A 55 -8.268 -1.879 -7.356 1.00 10.00 C ATOM 833 C PRO A 55 -6.838 -2.419 -7.328 1.00 10.00 C ATOM 834 O PRO A 55 -6.013 -2.038 -8.162 1.00 10.00 O ATOM 835 CB PRO A 55 -9.080 -2.451 -8.523 1.00 10.00 C ATOM 836 CG PRO A 55 -8.843 -1.437 -9.642 1.00 10.00 C ATOM 837 CD PRO A 55 -8.770 -0.109 -8.886 1.00 10.00 C ATOM 0 HA PRO A 55 -8.724 -2.158 -6.406 1.00 10.00 H new ATOM 0 HB2 PRO A 55 -8.737 -3.447 -8.803 1.00 10.00 H new ATOM 0 HB3 PRO A 55 -10.138 -2.536 -8.274 1.00 10.00 H new ATOM 0 HG2 PRO A 55 -7.922 -1.644 -10.187 1.00 10.00 H new ATOM 0 HG3 PRO A 55 -9.653 -1.443 -10.372 1.00 10.00 H new ATOM 0 HD2 PRO A 55 -8.127 0.603 -9.404 1.00 10.00 H new ATOM 0 HD3 PRO A 55 -9.755 0.351 -8.804 1.00 10.00 H new ATOM 845 N GLY A 56 -6.514 -3.253 -6.333 1.00 10.00 N ATOM 846 CA GLY A 56 -5.168 -3.789 -6.198 1.00 10.00 C ATOM 847 C GLY A 56 -4.100 -2.709 -6.180 1.00 10.00 C ATOM 848 O GLY A 56 -3.046 -2.866 -6.787 1.00 10.00 O ATOM 0 H GLY A 56 -7.168 -3.566 -5.615 1.00 10.00 H new ATOM 0 HA2 GLY A 56 -5.105 -4.371 -5.278 1.00 10.00 H new ATOM 0 HA3 GLY A 56 -4.971 -4.474 -7.023 1.00 10.00 H new ATOM 852 N GLY A 57 -4.378 -1.607 -5.476 1.00 10.00 N ATOM 853 CA GLY A 57 -3.461 -0.482 -5.372 1.00 10.00 C ATOM 854 C GLY A 57 -2.865 -0.098 -6.730 1.00 10.00 C ATOM 855 O GLY A 57 -1.653 0.008 -6.858 1.00 10.00 O ATOM 0 H GLY A 57 -5.250 -1.476 -4.963 1.00 10.00 H new ATOM 0 HA2 GLY A 57 -3.986 0.376 -4.951 1.00 10.00 H new ATOM 0 HA3 GLY A 57 -2.656 -0.733 -4.681 1.00 10.00 H new ATOM 859 N MET A 58 -3.725 0.082 -7.740 1.00 10.00 N ATOM 860 CA MET A 58 -3.376 0.518 -9.094 1.00 10.00 C ATOM 861 C MET A 58 -2.499 -0.501 -9.841 1.00 10.00 C ATOM 862 O MET A 58 -1.623 -0.128 -10.617 1.00 10.00 O ATOM 863 CB MET A 58 -2.790 1.949 -9.070 1.00 10.00 C ATOM 864 CG MET A 58 -3.249 2.823 -10.250 1.00 10.00 C ATOM 865 SD MET A 58 -2.112 2.952 -11.657 1.00 10.00 S ATOM 866 CE MET A 58 -3.283 2.794 -13.017 1.00 10.00 C ATOM 0 H MET A 58 -4.726 -0.080 -7.629 1.00 10.00 H new ATOM 0 HA MET A 58 -4.294 0.563 -9.680 1.00 10.00 H new ATOM 0 HB2 MET A 58 -3.076 2.434 -8.137 1.00 10.00 H new ATOM 0 HB3 MET A 58 -1.702 1.887 -9.076 1.00 10.00 H new ATOM 0 HG2 MET A 58 -4.199 2.431 -10.615 1.00 10.00 H new ATOM 0 HG3 MET A 58 -3.442 3.828 -9.875 1.00 10.00 H new ATOM 0 HE1 MET A 58 -2.749 2.852 -13.965 1.00 10.00 H new ATOM 0 HE2 MET A 58 -3.795 1.834 -12.947 1.00 10.00 H new ATOM 0 HE3 MET A 58 -4.015 3.600 -12.963 1.00 10.00 H new ATOM 876 N CYS A 59 -2.761 -1.793 -9.622 1.00 10.00 N ATOM 877 CA CYS A 59 -2.101 -2.894 -10.314 1.00 10.00 C ATOM 878 C CYS A 59 -3.118 -3.845 -10.958 1.00 10.00 C ATOM 879 O CYS A 59 -4.216 -4.026 -10.437 1.00 10.00 O ATOM 880 CB CYS A 59 -1.226 -3.641 -9.315 1.00 10.00 C ATOM 881 SG CYS A 59 -0.080 -4.802 -10.078 1.00 10.00 S ATOM 0 H CYS A 59 -3.454 -2.105 -8.942 1.00 10.00 H new ATOM 0 HA CYS A 59 -1.487 -2.491 -11.120 1.00 10.00 H new ATOM 0 HB2 CYS A 59 -0.659 -2.917 -8.730 1.00 10.00 H new ATOM 0 HB3 CYS A 59 -1.867 -4.182 -8.618 1.00 10.00 H new ATOM 886 N THR A 60 -2.747 -4.464 -12.081 1.00 10.00 N ATOM 887 CA THR A 60 -3.607 -5.409 -12.800 1.00 10.00 C ATOM 888 C THR A 60 -3.548 -6.805 -12.161 1.00 10.00 C ATOM 889 O THR A 60 -4.474 -7.203 -11.459 1.00 10.00 O ATOM 890 CB THR A 60 -3.220 -5.426 -14.288 1.00 10.00 C ATOM 891 OG1 THR A 60 -3.192 -4.103 -14.780 1.00 10.00 O ATOM 892 CG2 THR A 60 -4.200 -6.230 -15.141 1.00 10.00 C ATOM 0 H THR A 60 -1.837 -4.324 -12.520 1.00 10.00 H new ATOM 0 HA THR A 60 -4.645 -5.083 -12.727 1.00 10.00 H new ATOM 0 HB THR A 60 -2.240 -5.899 -14.356 1.00 10.00 H new ATOM 0 HG1 THR A 60 -2.944 -4.112 -15.728 1.00 10.00 H new ATOM 0 HG21 THR A 60 -3.879 -6.208 -16.182 1.00 10.00 H new ATOM 0 HG22 THR A 60 -4.226 -7.262 -14.791 1.00 10.00 H new ATOM 0 HG23 THR A 60 -5.196 -5.794 -15.060 1.00 10.00 H new ATOM 900 N ASP A 61 -2.447 -7.536 -12.382 1.00 10.00 N ATOM 901 CA ASP A 61 -2.257 -8.913 -11.939 1.00 10.00 C ATOM 902 C ASP A 61 -1.135 -9.022 -10.888 1.00 10.00 C ATOM 903 O ASP A 61 -0.324 -9.946 -10.926 1.00 10.00 O ATOM 904 CB ASP A 61 -1.975 -9.781 -13.178 1.00 10.00 C ATOM 905 CG ASP A 61 -3.113 -9.776 -14.182 1.00 10.00 C ATOM 906 OD1 ASP A 61 -4.233 -10.149 -13.777 1.00 10.00 O ATOM 907 OD2 ASP A 61 -2.836 -9.391 -15.339 1.00 10.00 O ATOM 0 H ASP A 61 -1.642 -7.169 -12.890 1.00 10.00 H new ATOM 0 HA ASP A 61 -3.161 -9.271 -11.445 1.00 10.00 H new ATOM 0 HB2 ASP A 61 -1.068 -9.424 -13.665 1.00 10.00 H new ATOM 0 HB3 ASP A 61 -1.784 -10.806 -12.860 1.00 10.00 H new ATOM 912 N CYS A 62 -1.073 -8.085 -9.934 1.00 10.00 N ATOM 913 CA CYS A 62 -0.160 -8.225 -8.799 1.00 10.00 C ATOM 914 C CYS A 62 -0.498 -9.479 -7.977 1.00 10.00 C ATOM 915 O CYS A 62 -1.665 -9.746 -7.695 1.00 10.00 O ATOM 916 CB CYS A 62 -0.187 -6.983 -7.904 1.00 10.00 C ATOM 917 SG CYS A 62 0.890 -5.630 -8.407 1.00 10.00 S ATOM 0 H CYS A 62 -1.636 -7.235 -9.926 1.00 10.00 H new ATOM 0 HA CYS A 62 0.848 -8.331 -9.201 1.00 10.00 H new ATOM 0 HB2 CYS A 62 -1.211 -6.611 -7.862 1.00 10.00 H new ATOM 0 HB3 CYS A 62 0.085 -7.282 -6.892 1.00 10.00 H new ATOM 922 N THR A 63 0.533 -10.224 -7.583 1.00 10.00 N ATOM 923 CA THR A 63 0.461 -11.404 -6.725 1.00 10.00 C ATOM 924 C THR A 63 1.015 -11.045 -5.339 1.00 10.00 C ATOM 925 O THR A 63 1.766 -10.083 -5.197 1.00 10.00 O ATOM 926 CB THR A 63 1.282 -12.530 -7.377 1.00 10.00 C ATOM 927 OG1 THR A 63 0.875 -12.721 -8.716 1.00 10.00 O ATOM 928 CG2 THR A 63 1.107 -13.879 -6.676 1.00 10.00 C ATOM 0 H THR A 63 1.489 -10.010 -7.868 1.00 10.00 H new ATOM 0 HA THR A 63 -0.569 -11.742 -6.607 1.00 10.00 H new ATOM 0 HB THR A 63 2.322 -12.213 -7.304 1.00 10.00 H new ATOM 0 HG1 THR A 63 1.406 -13.439 -9.120 1.00 10.00 H new ATOM 0 HG21 THR A 63 1.711 -14.633 -7.182 1.00 10.00 H new ATOM 0 HG22 THR A 63 1.428 -13.794 -5.638 1.00 10.00 H new ATOM 0 HG23 THR A 63 0.058 -14.173 -6.709 1.00 10.00 H new ATOM 936 N ASP A 64 0.670 -11.804 -4.294 1.00 10.00 N ATOM 937 CA ASP A 64 1.195 -11.622 -2.946 1.00 10.00 C ATOM 938 C ASP A 64 2.713 -11.385 -2.887 1.00 10.00 C ATOM 939 O ASP A 64 3.161 -10.489 -2.171 1.00 10.00 O ATOM 940 CB ASP A 64 0.769 -12.830 -2.114 1.00 10.00 C ATOM 941 CG ASP A 64 -0.572 -12.569 -1.456 1.00 10.00 C ATOM 942 OD1 ASP A 64 -0.542 -12.041 -0.323 1.00 10.00 O ATOM 943 OD2 ASP A 64 -1.590 -12.868 -2.113 1.00 10.00 O ATOM 0 H ASP A 64 0.006 -12.575 -4.367 1.00 10.00 H new ATOM 0 HA ASP A 64 0.775 -10.704 -2.534 1.00 10.00 H new ATOM 0 HB2 ASP A 64 0.704 -13.713 -2.749 1.00 10.00 H new ATOM 0 HB3 ASP A 64 1.521 -13.039 -1.353 1.00 10.00 H new ATOM 948 N GLU A 65 3.499 -12.150 -3.653 1.00 10.00 N ATOM 949 CA GLU A 65 4.946 -11.964 -3.731 1.00 10.00 C ATOM 950 C GLU A 65 5.326 -10.505 -4.040 1.00 10.00 C ATOM 951 O GLU A 65 6.261 -9.970 -3.446 1.00 10.00 O ATOM 952 CB GLU A 65 5.579 -12.981 -4.697 1.00 10.00 C ATOM 953 CG GLU A 65 5.106 -12.889 -6.159 1.00 10.00 C ATOM 954 CD GLU A 65 5.997 -13.680 -7.117 1.00 10.00 C ATOM 955 OE1 GLU A 65 7.233 -13.542 -6.991 1.00 10.00 O ATOM 956 OE2 GLU A 65 5.425 -14.428 -7.938 1.00 10.00 O ATOM 0 H GLU A 65 3.148 -12.912 -4.233 1.00 10.00 H new ATOM 0 HA GLU A 65 5.368 -12.167 -2.747 1.00 10.00 H new ATOM 0 HB2 GLU A 65 6.661 -12.852 -4.675 1.00 10.00 H new ATOM 0 HB3 GLU A 65 5.370 -13.985 -4.328 1.00 10.00 H new ATOM 0 HG2 GLU A 65 4.084 -13.260 -6.230 1.00 10.00 H new ATOM 0 HG3 GLU A 65 5.088 -11.843 -6.466 1.00 10.00 H new ATOM 963 N ASP A 66 4.550 -9.839 -4.903 1.00 10.00 N ATOM 964 CA ASP A 66 4.738 -8.443 -5.250 1.00 10.00 C ATOM 965 C ASP A 66 4.035 -7.520 -4.238 1.00 10.00 C ATOM 966 O ASP A 66 4.627 -6.558 -3.747 1.00 10.00 O ATOM 967 CB ASP A 66 4.245 -8.178 -6.683 1.00 10.00 C ATOM 968 CG ASP A 66 4.270 -9.368 -7.619 1.00 10.00 C ATOM 969 OD1 ASP A 66 5.386 -9.744 -8.027 1.00 10.00 O ATOM 970 OD2 ASP A 66 3.160 -9.857 -7.921 1.00 10.00 O ATOM 0 H ASP A 66 3.761 -10.272 -5.384 1.00 10.00 H new ATOM 0 HA ASP A 66 5.804 -8.219 -5.209 1.00 10.00 H new ATOM 0 HB2 ASP A 66 3.223 -7.801 -6.632 1.00 10.00 H new ATOM 0 HB3 ASP A 66 4.855 -7.386 -7.116 1.00 10.00 H new ATOM 975 N TYR A 67 2.766 -7.798 -3.911 1.00 10.00 N ATOM 976 CA TYR A 67 1.968 -6.946 -3.035 1.00 10.00 C ATOM 977 C TYR A 67 2.614 -6.794 -1.658 1.00 10.00 C ATOM 978 O TYR A 67 2.809 -5.681 -1.175 1.00 10.00 O ATOM 979 CB TYR A 67 0.564 -7.528 -2.842 1.00 10.00 C ATOM 980 CG TYR A 67 -0.454 -7.280 -3.930 1.00 10.00 C ATOM 981 CD1 TYR A 67 -0.849 -5.958 -4.206 1.00 10.00 C ATOM 982 CD2 TYR A 67 -1.223 -8.350 -4.421 1.00 10.00 C ATOM 983 CE1 TYR A 67 -1.940 -5.713 -5.056 1.00 10.00 C ATOM 984 CE2 TYR A 67 -2.336 -8.102 -5.241 1.00 10.00 C ATOM 985 CZ TYR A 67 -2.669 -6.786 -5.588 1.00 10.00 C ATOM 986 OH TYR A 67 -3.664 -6.555 -6.482 1.00 10.00 O ATOM 0 H TYR A 67 2.268 -8.622 -4.249 1.00 10.00 H new ATOM 0 HA TYR A 67 1.908 -5.970 -3.517 1.00 10.00 H new ATOM 0 HB2 TYR A 67 0.662 -8.606 -2.714 1.00 10.00 H new ATOM 0 HB3 TYR A 67 0.162 -7.132 -1.910 1.00 10.00 H new ATOM 0 HD1 TYR A 67 -0.313 -5.131 -3.764 1.00 10.00 H new ATOM 0 HD2 TYR A 67 -0.957 -9.365 -4.167 1.00 10.00 H new ATOM 0 HE1 TYR A 67 -2.217 -4.698 -5.300 1.00 10.00 H new ATOM 0 HE2 TYR A 67 -2.934 -8.925 -5.604 1.00 10.00 H new ATOM 0 HH TYR A 67 -4.066 -7.407 -6.751 1.00 10.00 H new ATOM 996 N LYS A 68 2.943 -7.922 -1.021 1.00 10.00 N ATOM 997 CA LYS A 68 3.555 -7.919 0.298 1.00 10.00 C ATOM 998 C LYS A 68 4.886 -7.192 0.228 1.00 10.00 C ATOM 999 O LYS A 68 5.066 -6.201 0.917 1.00 10.00 O ATOM 1000 CB LYS A 68 3.661 -9.316 0.908 1.00 10.00 C ATOM 1001 CG LYS A 68 2.325 -9.696 1.572 1.00 10.00 C ATOM 1002 CD LYS A 68 2.454 -11.007 2.350 1.00 10.00 C ATOM 1003 CE LYS A 68 3.172 -10.789 3.693 1.00 10.00 C ATOM 1004 NZ LYS A 68 3.840 -12.022 4.141 1.00 10.00 N ATOM 0 H LYS A 68 2.791 -8.854 -1.408 1.00 10.00 H new ATOM 0 HA LYS A 68 2.904 -7.377 0.984 1.00 10.00 H new ATOM 0 HB2 LYS A 68 3.914 -10.042 0.135 1.00 10.00 H new ATOM 0 HB3 LYS A 68 4.464 -9.342 1.644 1.00 10.00 H new ATOM 0 HG2 LYS A 68 2.009 -8.899 2.245 1.00 10.00 H new ATOM 0 HG3 LYS A 68 1.551 -9.795 0.811 1.00 10.00 H new ATOM 0 HD2 LYS A 68 1.464 -11.426 2.528 1.00 10.00 H new ATOM 0 HD3 LYS A 68 3.005 -11.734 1.754 1.00 10.00 H new ATOM 0 HE2 LYS A 68 3.906 -9.990 3.591 1.00 10.00 H new ATOM 0 HE3 LYS A 68 2.453 -10.467 4.446 1.00 10.00 H new ATOM 0 HZ1 LYS A 68 4.317 -11.848 5.049 1.00 10.00 H new ATOM 0 HZ2 LYS A 68 3.134 -12.776 4.260 1.00 10.00 H new ATOM 0 HZ3 LYS A 68 4.542 -12.314 3.432 1.00 10.00 H new ATOM 1018 N ALA A 69 5.773 -7.582 -0.685 1.00 10.00 N ATOM 1019 CA ALA A 69 6.981 -6.810 -0.947 1.00 10.00 C ATOM 1020 C ALA A 69 6.714 -5.302 -1.116 1.00 10.00 C ATOM 1021 O ALA A 69 7.508 -4.488 -0.657 1.00 10.00 O ATOM 1022 CB ALA A 69 7.669 -7.400 -2.170 1.00 10.00 C ATOM 0 H ALA A 69 5.677 -8.424 -1.252 1.00 10.00 H new ATOM 0 HA ALA A 69 7.634 -6.883 -0.077 1.00 10.00 H new ATOM 0 HB1 ALA A 69 8.577 -6.836 -2.384 1.00 10.00 H new ATOM 0 HB2 ALA A 69 7.926 -8.441 -1.976 1.00 10.00 H new ATOM 0 HB3 ALA A 69 6.998 -7.345 -3.027 1.00 10.00 H new ATOM 1028 N ALA A 70 5.601 -4.904 -1.742 1.00 10.00 N ATOM 1029 CA ALA A 70 5.279 -3.488 -1.938 1.00 10.00 C ATOM 1030 C ALA A 70 4.949 -2.773 -0.614 1.00 10.00 C ATOM 1031 O ALA A 70 5.434 -1.668 -0.372 1.00 10.00 O ATOM 1032 CB ALA A 70 4.183 -3.328 -3.000 1.00 10.00 C ATOM 0 H ALA A 70 4.906 -5.546 -2.123 1.00 10.00 H new ATOM 0 HA ALA A 70 6.170 -2.988 -2.317 1.00 10.00 H new ATOM 0 HB1 ALA A 70 3.957 -2.270 -3.133 1.00 10.00 H new ATOM 0 HB2 ALA A 70 4.529 -3.746 -3.945 1.00 10.00 H new ATOM 0 HB3 ALA A 70 3.284 -3.854 -2.677 1.00 10.00 H new ATOM 1038 N ILE A 71 4.163 -3.397 0.271 1.00 10.00 N ATOM 1039 CA ILE A 71 3.835 -2.839 1.576 1.00 10.00 C ATOM 1040 C ILE A 71 4.996 -2.960 2.585 1.00 10.00 C ATOM 1041 O ILE A 71 5.250 -2.057 3.388 1.00 10.00 O ATOM 1042 CB ILE A 71 2.515 -3.461 2.056 1.00 10.00 C ATOM 1043 CG1 ILE A 71 2.480 -4.988 2.160 1.00 10.00 C ATOM 1044 CG2 ILE A 71 1.375 -2.992 1.138 1.00 10.00 C ATOM 1045 CD1 ILE A 71 1.354 -5.517 3.052 1.00 10.00 C ATOM 0 H ILE A 71 3.738 -4.307 0.095 1.00 10.00 H new ATOM 0 HA ILE A 71 3.688 -1.763 1.488 1.00 10.00 H new ATOM 0 HB ILE A 71 2.400 -3.111 3.082 1.00 10.00 H new ATOM 0 HG12 ILE A 71 2.369 -5.409 1.161 1.00 10.00 H new ATOM 0 HG13 ILE A 71 3.436 -5.339 2.549 1.00 10.00 H new ATOM 0 HG21 ILE A 71 0.435 -3.430 1.473 1.00 10.00 H new ATOM 0 HG22 ILE A 71 1.302 -1.905 1.174 1.00 10.00 H new ATOM 0 HG23 ILE A 71 1.578 -3.308 0.115 1.00 10.00 H new ATOM 0 HD11 ILE A 71 1.392 -6.606 3.078 1.00 10.00 H new ATOM 0 HD12 ILE A 71 1.475 -5.125 4.062 1.00 10.00 H new ATOM 0 HD13 ILE A 71 0.392 -5.197 2.652 1.00 10.00 H new ATOM 1057 N GLU A 72 5.745 -4.060 2.493 1.00 10.00 N ATOM 1058 CA GLU A 72 6.986 -4.303 3.218 1.00 10.00 C ATOM 1059 C GLU A 72 8.116 -3.368 2.749 1.00 10.00 C ATOM 1060 O GLU A 72 8.971 -3.004 3.549 1.00 10.00 O ATOM 1061 CB GLU A 72 7.377 -5.794 3.171 1.00 10.00 C ATOM 1062 CG GLU A 72 6.320 -6.710 3.830 1.00 10.00 C ATOM 1063 CD GLU A 72 6.814 -8.110 4.176 1.00 10.00 C ATOM 1064 OE1 GLU A 72 6.670 -9.002 3.311 1.00 10.00 O ATOM 1065 OE2 GLU A 72 7.268 -8.277 5.327 1.00 10.00 O ATOM 0 H GLU A 72 5.489 -4.837 1.884 1.00 10.00 H new ATOM 0 HA GLU A 72 6.815 -4.060 4.267 1.00 10.00 H new ATOM 0 HB2 GLU A 72 7.517 -6.096 2.133 1.00 10.00 H new ATOM 0 HB3 GLU A 72 8.334 -5.930 3.674 1.00 10.00 H new ATOM 0 HG2 GLU A 72 5.962 -6.231 4.741 1.00 10.00 H new ATOM 0 HG3 GLU A 72 5.466 -6.797 3.159 1.00 10.00 H new ATOM 1072 N PHE A 73 8.120 -2.921 1.483 1.00 10.00 N ATOM 1073 CA PHE A 73 9.037 -1.862 1.051 1.00 10.00 C ATOM 1074 C PHE A 73 8.899 -0.623 1.943 1.00 10.00 C ATOM 1075 O PHE A 73 9.889 -0.078 2.426 1.00 10.00 O ATOM 1076 CB PHE A 73 8.798 -1.483 -0.418 1.00 10.00 C ATOM 1077 CG PHE A 73 9.836 -0.519 -0.965 1.00 10.00 C ATOM 1078 CD1 PHE A 73 9.834 0.834 -0.571 1.00 10.00 C ATOM 1079 CD2 PHE A 73 10.856 -0.991 -1.812 1.00 10.00 C ATOM 1080 CE1 PHE A 73 10.881 1.687 -0.958 1.00 10.00 C ATOM 1081 CE2 PHE A 73 11.871 -0.122 -2.246 1.00 10.00 C ATOM 1082 CZ PHE A 73 11.889 1.215 -1.816 1.00 10.00 C ATOM 0 H PHE A 73 7.505 -3.274 0.750 1.00 10.00 H new ATOM 0 HA PHE A 73 10.052 -2.249 1.144 1.00 10.00 H new ATOM 0 HB2 PHE A 73 8.798 -2.389 -1.024 1.00 10.00 H new ATOM 0 HB3 PHE A 73 7.809 -1.035 -0.514 1.00 10.00 H new ATOM 0 HD1 PHE A 73 9.024 1.217 0.031 1.00 10.00 H new ATOM 0 HD2 PHE A 73 10.858 -2.023 -2.129 1.00 10.00 H new ATOM 0 HE1 PHE A 73 10.911 2.704 -0.597 1.00 10.00 H new ATOM 0 HE2 PHE A 73 12.640 -0.483 -2.913 1.00 10.00 H new ATOM 0 HZ PHE A 73 12.675 1.879 -2.144 1.00 10.00 H new ATOM 1092 N MET A 74 7.659 -0.160 2.135 1.00 10.00 N ATOM 1093 CA MET A 74 7.372 0.983 2.991 1.00 10.00 C ATOM 1094 C MET A 74 7.703 0.644 4.451 1.00 10.00 C ATOM 1095 O MET A 74 8.623 1.222 5.024 1.00 10.00 O ATOM 1096 CB MET A 74 5.916 1.435 2.775 1.00 10.00 C ATOM 1097 CG MET A 74 5.759 2.071 1.378 1.00 10.00 C ATOM 1098 SD MET A 74 4.120 2.650 0.842 1.00 10.00 S ATOM 1099 CE MET A 74 3.314 1.138 0.278 1.00 10.00 C ATOM 0 H MET A 74 6.832 -0.570 1.700 1.00 10.00 H new ATOM 0 HA MET A 74 8.005 1.829 2.726 1.00 10.00 H new ATOM 0 HB2 MET A 74 5.244 0.582 2.872 1.00 10.00 H new ATOM 0 HB3 MET A 74 5.632 2.153 3.544 1.00 10.00 H new ATOM 0 HG2 MET A 74 6.439 2.921 1.327 1.00 10.00 H new ATOM 0 HG3 MET A 74 6.104 1.342 0.645 1.00 10.00 H new ATOM 0 HE1 MET A 74 2.617 1.375 -0.526 1.00 10.00 H new ATOM 0 HE2 MET A 74 4.066 0.440 -0.089 1.00 10.00 H new ATOM 0 HE3 MET A 74 2.771 0.684 1.107 1.00 10.00 H new ATOM 1109 N SER A 75 6.978 -0.308 5.042 1.00 10.00 N ATOM 1110 CA SER A 75 7.261 -0.782 6.390 1.00 10.00 C ATOM 1111 C SER A 75 7.043 -2.296 6.471 1.00 10.00 C ATOM 1112 O SER A 75 7.997 -3.058 6.350 1.00 10.00 O ATOM 1113 CB SER A 75 6.404 0.000 7.394 1.00 10.00 C ATOM 1114 OG SER A 75 6.992 1.245 7.734 1.00 10.00 O ATOM 0 H SER A 75 6.183 -0.768 4.599 1.00 10.00 H new ATOM 0 HA SER A 75 8.306 -0.603 6.645 1.00 10.00 H new ATOM 0 HB2 SER A 75 5.414 0.170 6.971 1.00 10.00 H new ATOM 0 HB3 SER A 75 6.268 -0.596 8.297 1.00 10.00 H new ATOM 0 HG SER A 75 7.592 1.531 7.014 1.00 10.00 H new ATOM 1120 N LYS A 76 5.806 -2.726 6.753 1.00 10.00 N ATOM 1121 CA LYS A 76 5.401 -4.113 6.944 1.00 10.00 C ATOM 1122 C LYS A 76 3.929 -4.198 7.391 1.00 10.00 C ATOM 1123 O LYS A 76 3.620 -4.874 8.367 1.00 10.00 O ATOM 1124 CB LYS A 76 6.370 -4.856 7.893 1.00 10.00 C ATOM 1125 CG LYS A 76 6.815 -4.053 9.130 1.00 10.00 C ATOM 1126 CD LYS A 76 7.787 -4.820 10.034 1.00 10.00 C ATOM 1127 CE LYS A 76 7.093 -5.939 10.818 1.00 10.00 C ATOM 1128 NZ LYS A 76 7.880 -6.312 12.014 1.00 10.00 N ATOM 0 H LYS A 76 5.026 -2.078 6.858 1.00 10.00 H new ATOM 0 HA LYS A 76 5.464 -4.629 5.986 1.00 10.00 H new ATOM 0 HB2 LYS A 76 5.891 -5.776 8.229 1.00 10.00 H new ATOM 0 HB3 LYS A 76 7.256 -5.146 7.329 1.00 10.00 H new ATOM 0 HG2 LYS A 76 7.288 -3.127 8.803 1.00 10.00 H new ATOM 0 HG3 LYS A 76 5.935 -3.774 9.709 1.00 10.00 H new ATOM 0 HD2 LYS A 76 8.585 -5.246 9.426 1.00 10.00 H new ATOM 0 HD3 LYS A 76 8.254 -4.126 10.733 1.00 10.00 H new ATOM 0 HE2 LYS A 76 6.097 -5.614 11.120 1.00 10.00 H new ATOM 0 HE3 LYS A 76 6.963 -6.811 10.177 1.00 10.00 H new ATOM 0 HZ1 LYS A 76 7.390 -7.071 12.529 1.00 10.00 H new ATOM 0 HZ2 LYS A 76 8.821 -6.644 11.721 1.00 10.00 H new ATOM 0 HZ3 LYS A 76 7.983 -5.484 12.634 1.00 10.00 H new ATOM 1142 N ALA A 77 3.017 -3.503 6.690 1.00 10.00 N ATOM 1143 CA ALA A 77 1.583 -3.509 7.010 1.00 10.00 C ATOM 1144 C ALA A 77 0.684 -2.882 5.930 1.00 10.00 C ATOM 1145 O ALA A 77 0.065 -3.606 5.155 1.00 10.00 O ATOM 1146 CB ALA A 77 1.342 -2.887 8.391 1.00 10.00 C ATOM 0 H ALA A 77 3.255 -2.922 5.886 1.00 10.00 H new ATOM 0 HA ALA A 77 1.282 -4.556 7.035 1.00 10.00 H new ATOM 0 HB1 ALA A 77 0.275 -2.898 8.614 1.00 10.00 H new ATOM 0 HB2 ALA A 77 1.877 -3.461 9.147 1.00 10.00 H new ATOM 0 HB3 ALA A 77 1.702 -1.858 8.395 1.00 10.00 H new ATOM 1152 N LYS A 78 0.537 -1.554 5.948 1.00 10.00 N ATOM 1153 CA LYS A 78 -0.432 -0.830 5.120 1.00 10.00 C ATOM 1154 C LYS A 78 0.114 -0.372 3.749 1.00 10.00 C ATOM 1155 O LYS A 78 -0.402 0.633 3.212 1.00 10.00 O ATOM 1156 CB LYS A 78 -1.063 0.301 5.950 1.00 10.00 C ATOM 1157 CG LYS A 78 -0.222 1.585 6.027 1.00 10.00 C ATOM 1158 CD LYS A 78 -1.000 2.775 5.450 1.00 10.00 C ATOM 1159 CE LYS A 78 -2.097 3.258 6.406 1.00 10.00 C ATOM 1160 NZ LYS A 78 -1.529 4.140 7.441 1.00 10.00 N ATOM 1161 OXT LYS A 78 1.038 -1.037 3.243 1.00 10.00 O ATOM 0 H LYS A 78 1.095 -0.944 6.546 1.00 10.00 H new ATOM 0 HA LYS A 78 -1.218 -1.530 4.837 1.00 10.00 H new ATOM 0 HB2 LYS A 78 -2.037 0.545 5.526 1.00 10.00 H new ATOM 0 HB3 LYS A 78 -1.239 -0.064 6.962 1.00 10.00 H new ATOM 0 HG2 LYS A 78 0.048 1.788 7.063 1.00 10.00 H new ATOM 0 HG3 LYS A 78 0.709 1.450 5.476 1.00 10.00 H new ATOM 0 HD2 LYS A 78 -0.311 3.594 5.245 1.00 10.00 H new ATOM 0 HD3 LYS A 78 -1.448 2.489 4.498 1.00 10.00 H new ATOM 0 HE2 LYS A 78 -2.865 3.792 5.847 1.00 10.00 H new ATOM 0 HE3 LYS A 78 -2.581 2.402 6.875 1.00 10.00 H new ATOM 0 HZ1 LYS A 78 -1.440 3.615 8.334 1.00 10.00 H new ATOM 0 HZ2 LYS A 78 -0.590 4.470 7.139 1.00 10.00 H new ATOM 0 HZ3 LYS A 78 -2.155 4.959 7.581 1.00 10.00 H new TER 1175 LYS A 78 HETATM 1176 FE HEC A 90 -3.623 3.601 -0.590 1.00 10.00 FE HETATM 1177 CHA HEC A 90 -5.464 3.955 2.367 1.00 10.00 C HETATM 1178 CHB HEC A 90 -2.099 0.796 0.666 1.00 10.00 C HETATM 1179 CHC HEC A 90 -2.142 3.159 -3.670 1.00 10.00 C HETATM 1180 CHD HEC A 90 -5.048 6.603 -1.735 1.00 10.00 C HETATM 1181 NA HEC A 90 -3.786 2.545 1.181 1.00 10.00 N HETATM 1182 C1A HEC A 90 -4.625 2.848 2.218 1.00 10.00 C HETATM 1183 C2A HEC A 90 -4.490 1.796 3.195 1.00 10.00 C HETATM 1184 C3A HEC A 90 -3.587 0.886 2.694 1.00 10.00 C HETATM 1185 C4A HEC A 90 -3.082 1.411 1.450 1.00 10.00 C HETATM 1186 CMA HEC A 90 -3.379 -0.520 3.187 1.00 10.00 C HETATM 1187 CAA HEC A 90 -5.240 1.692 4.505 1.00 10.00 C HETATM 1188 CBA HEC A 90 -6.699 1.242 4.343 1.00 10.00 C HETATM 1189 CGA HEC A 90 -6.816 -0.148 3.734 1.00 10.00 C HETATM 1190 O1A HEC A 90 -6.916 -1.109 4.527 1.00 10.00 O HETATM 1191 O2A HEC A 90 -6.822 -0.224 2.487 1.00 10.00 O HETATM 1192 NB HEC A 90 -2.339 2.224 -1.359 1.00 10.00 N HETATM 1193 C1B HEC A 90 -1.802 1.198 -0.643 1.00 10.00 C HETATM 1194 C2B HEC A 90 -0.830 0.558 -1.487 1.00 10.00 C HETATM 1195 C3B HEC A 90 -0.893 1.168 -2.723 1.00 10.00 C HETATM 1196 C4B HEC A 90 -1.847 2.251 -2.631 1.00 10.00 C HETATM 1197 CMB HEC A 90 0.133 -0.518 -1.035 1.00 10.00 C HETATM 1198 CAB HEC A 90 0.052 0.931 -3.875 1.00 10.00 C HETATM 1199 CBB HEC A 90 0.246 -0.550 -4.262 1.00 10.00 C HETATM 1200 NC HEC A 90 -3.628 4.687 -2.415 1.00 10.00 N HETATM 1201 C1C HEC A 90 -2.974 4.285 -3.535 1.00 10.00 C HETATM 1202 C2C HEC A 90 -3.261 5.260 -4.572 1.00 10.00 C HETATM 1203 C3C HEC A 90 -4.079 6.230 -4.020 1.00 10.00 C HETATM 1204 C4C HEC A 90 -4.288 5.858 -2.638 1.00 10.00 C HETATM 1205 CMC HEC A 90 -2.724 5.250 -5.983 1.00 10.00 C HETATM 1206 CAC HEC A 90 -4.730 7.439 -4.696 1.00 10.00 C HETATM 1207 CBC HEC A 90 -5.084 7.286 -6.174 1.00 10.00 C HETATM 1208 ND HEC A 90 -4.919 5.076 0.222 1.00 10.00 N HETATM 1209 C1D HEC A 90 -5.323 6.201 -0.432 1.00 10.00 C HETATM 1210 C2D HEC A 90 -6.188 6.935 0.454 1.00 10.00 C HETATM 1211 C3D HEC A 90 -6.373 6.165 1.579 1.00 10.00 C HETATM 1212 C4D HEC A 90 -5.539 4.993 1.438 1.00 10.00 C HETATM 1213 CMD HEC A 90 -6.870 8.244 0.138 1.00 10.00 C HETATM 1214 CAD HEC A 90 -7.444 6.403 2.617 1.00 10.00 C HETATM 1215 CBD HEC A 90 -8.803 5.868 2.132 1.00 10.00 C HETATM 1216 CGD HEC A 90 -9.963 6.835 2.324 1.00 10.00 C HETATM 1217 O1D HEC A 90 -10.862 6.797 1.455 1.00 10.00 O HETATM 1218 O2D HEC A 90 -9.940 7.572 3.332 1.00 10.00 O HETATM 0 HMD3 HEC A 90 -6.118 9.001 -0.087 1.00 10.00 H new HETATM 0 HMD2 HEC A 90 -7.524 8.115 -0.724 1.00 10.00 H new HETATM 0 HMD1 HEC A 90 -7.461 8.563 0.997 1.00 10.00 H new HETATM 0 HMC3 HEC A 90 -1.635 5.301 -5.958 1.00 10.00 H new HETATM 0 HMC2 HEC A 90 -3.033 4.332 -6.483 1.00 10.00 H new HETATM 0 HMC1 HEC A 90 -3.116 6.109 -6.527 1.00 10.00 H new HETATM 0 HMB3 HEC A 90 0.766 -0.128 -0.238 1.00 10.00 H new HETATM 0 HMB2 HEC A 90 -0.428 -1.377 -0.666 1.00 10.00 H new HETATM 0 HMB1 HEC A 90 0.756 -0.825 -1.875 1.00 10.00 H new HETATM 0 HMA3 HEC A 90 -3.081 -0.498 4.235 1.00 10.00 H new HETATM 0 HMA2 HEC A 90 -4.307 -1.082 3.086 1.00 10.00 H new HETATM 0 HMA1 HEC A 90 -2.598 -1.000 2.598 1.00 10.00 H new HETATM 0 HBD2 HEC A 90 -8.725 5.618 1.074 1.00 10.00 H new HETATM 0 HBD1 HEC A 90 -9.026 4.942 2.662 1.00 10.00 H new HETATM 0 HBC3 HEC A 90 -4.179 7.078 -6.745 1.00 10.00 H new HETATM 0 HBC2 HEC A 90 -5.788 6.463 -6.296 1.00 10.00 H new HETATM 0 HBC1 HEC A 90 -5.538 8.208 -6.537 1.00 10.00 H new HETATM 0 HBB3 HEC A 90 0.647 -1.099 -3.410 1.00 10.00 H new HETATM 0 HBB2 HEC A 90 -0.713 -0.979 -4.551 1.00 10.00 H new HETATM 0 HBB1 HEC A 90 0.941 -0.619 -5.099 1.00 10.00 H new HETATM 0 HBA2 HEC A 90 -7.189 1.251 5.317 1.00 10.00 H new HETATM 0 HBA1 HEC A 90 -7.229 1.957 3.713 1.00 10.00 H new HETATM 0 HAD2 HEC A 90 -7.167 5.913 3.551 1.00 10.00 H new HETATM 0 HAD1 HEC A 90 -7.522 7.470 2.828 1.00 10.00 H new HETATM 0 HAA2 HEC A 90 -4.722 0.988 5.156 1.00 10.00 H new HETATM 0 HAA1 HEC A 90 -5.221 2.661 5.003 1.00 10.00 H new HETATM 0 HHD HEC A 90 -5.451 7.558 -2.071 1.00 10.00 H new HETATM 0 HHC HEC A 90 -1.693 2.975 -4.646 1.00 10.00 H new HETATM 0 HHB HEC A 90 -1.538 -0.035 1.094 1.00 10.00 H new HETATM 0 HHA HEC A 90 -6.093 4.011 3.256 1.00 10.00 H new HETATM 0 H2D HEC A 90 -10.602 8.287 3.230 1.00 10.00 H new HETATM 0 H2A HEC A 90 -7.717 -0.009 2.150 1.00 10.00 H new