USER MOD reduce.3.24.130724 H: found=0, std=0, add=611, rem=0, adj=21 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 45 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 90 HEC O2A : rot 80:sc= -0.752 USER MOD Single : A 1 GLN : amide:sc= -0.0776 X(o=-0.078,f=-0.078) USER MOD Single : A 7 TYR OH : rot -154:sc= 1.2 USER MOD Single : A 8 ASN : amide:sc= 1.15 K(o=1.1,f=-0.26) USER MOD Single : A 9 LYS NZ :NH3+ -167:sc= -0.131 (180deg=-0.478) USER MOD Single : A -3 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot -29:sc= 0.444 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 USER MOD Single : A 26 HIS : no HD1:sc= -0.123 X(o=-0.12,f=-0.081) USER MOD Single : A 27 ASN : amide:sc= -1.22 K(o=-1.2,f=-2.4!) 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= -0.0158 F(o=-0.85,f=-0.016) USER MOD Single : A 44 LYS NZ :NH3+ 171:sc= 1.21 (180deg=0.975) USER MOD Single : A 47 LYS NZ :NH3+ -132:sc= 1.02 (180deg=0.0588) USER MOD Single : A 48 THR OG1 : rot 85:sc= 0.284 USER MOD Single : A 51 ASN :FLIP amide:sc=0.000183 F(o=-0.51,f=0.00018) USER MOD Single : A 53 MET CE :methyl -173:sc= -2.1 (180deg=-2.44) 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= 0.0553 USER MOD Single : A 67 TYR OH : rot 100:sc= -0.192 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 MET CE :methyl 165:sc= -0.0714 (180deg=-0.501) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ -156:sc= 0.574 (180deg=0.456) USER MOD Single : A 90 HEC O2D : rot 177:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A -3 6.406 1.555 -15.220 1.00 10.00 N ATOM 2 CA ALA A -3 7.282 0.691 -16.037 1.00 10.00 C ATOM 3 C ALA A -3 6.753 -0.749 -16.092 1.00 10.00 C ATOM 4 O ALA A -3 6.148 -1.113 -17.092 1.00 10.00 O ATOM 5 CB ALA A -3 8.738 0.778 -15.565 1.00 10.00 C ATOM 0 H1 ALA A -3 6.790 2.521 -15.202 1.00 10.00 H new ATOM 0 H2 ALA A -3 5.451 1.570 -15.632 1.00 10.00 H new ATOM 0 H3 ALA A -3 6.359 1.183 -14.250 1.00 10.00 H new ATOM 0 HA ALA A -3 7.267 1.059 -17.063 1.00 10.00 H new ATOM 0 HB1 ALA A -3 9.360 0.132 -16.184 1.00 10.00 H new ATOM 0 HB2 ALA A -3 9.087 1.807 -15.649 1.00 10.00 H new ATOM 0 HB3 ALA A -3 8.803 0.457 -14.525 1.00 10.00 H new ATOM 13 N ASP A -2 6.892 -1.518 -15.003 1.00 10.00 N ATOM 14 CA ASP A -2 6.600 -2.947 -15.019 1.00 10.00 C ATOM 15 C ASP A -2 6.410 -3.531 -13.608 1.00 10.00 C ATOM 16 O ASP A -2 7.221 -3.296 -12.711 1.00 10.00 O ATOM 17 CB ASP A -2 7.711 -3.691 -15.783 1.00 10.00 C ATOM 18 CG ASP A -2 7.154 -4.492 -16.945 1.00 10.00 C ATOM 19 OD1 ASP A -2 6.107 -5.138 -16.723 1.00 10.00 O ATOM 20 OD2 ASP A -2 7.791 -4.444 -18.018 1.00 10.00 O ATOM 0 H ASP A -2 7.207 -1.166 -14.099 1.00 10.00 H new ATOM 0 HA ASP A -2 5.649 -3.086 -15.533 1.00 10.00 H new ATOM 0 HB2 ASP A -2 8.442 -2.972 -16.154 1.00 10.00 H new ATOM 0 HB3 ASP A -2 8.238 -4.358 -15.101 1.00 10.00 H new ATOM 25 N LEU A -1 5.312 -4.261 -13.393 1.00 10.00 N ATOM 26 CA LEU A -1 5.082 -5.023 -12.166 1.00 10.00 C ATOM 27 C LEU A -1 5.993 -6.268 -12.166 1.00 10.00 C ATOM 28 O LEU A -1 5.592 -7.380 -12.482 1.00 10.00 O ATOM 29 CB LEU A -1 3.570 -5.290 -12.019 1.00 10.00 C ATOM 30 CG LEU A -1 3.211 -6.446 -11.069 1.00 10.00 C ATOM 31 CD1 LEU A -1 2.090 -6.087 -10.097 1.00 10.00 C ATOM 32 CD2 LEU A -1 2.723 -7.659 -11.869 1.00 10.00 C ATOM 0 H LEU A -1 4.554 -4.339 -14.071 1.00 10.00 H new ATOM 0 HA LEU A -1 5.362 -4.470 -11.270 1.00 10.00 H new ATOM 0 HB2 LEU A -1 3.087 -4.381 -11.661 1.00 10.00 H new ATOM 0 HB3 LEU A -1 3.155 -5.505 -13.004 1.00 10.00 H new ATOM 0 HG LEU A -1 4.122 -6.663 -10.511 1.00 10.00 H new ATOM 0 HD11 LEU A -1 1.880 -6.941 -9.452 1.00 10.00 H new ATOM 0 HD12 LEU A -1 2.396 -5.238 -9.486 1.00 10.00 H new ATOM 0 HD13 LEU A -1 1.192 -5.826 -10.657 1.00 10.00 H new ATOM 0 HD21 LEU A -1 2.472 -8.469 -11.184 1.00 10.00 H new ATOM 0 HD22 LEU A -1 1.839 -7.384 -12.444 1.00 10.00 H new ATOM 0 HD23 LEU A -1 3.510 -7.988 -12.548 1.00 10.00 H new ATOM 44 N GLN A 1 7.274 -6.035 -11.882 1.00 10.00 N ATOM 45 CA GLN A 1 8.303 -7.071 -11.729 1.00 10.00 C ATOM 46 C GLN A 1 8.870 -7.194 -10.304 1.00 10.00 C ATOM 47 O GLN A 1 9.415 -8.231 -9.937 1.00 10.00 O ATOM 48 CB GLN A 1 9.413 -6.829 -12.768 1.00 10.00 C ATOM 49 CG GLN A 1 9.807 -8.112 -13.517 1.00 10.00 C ATOM 50 CD GLN A 1 10.370 -9.212 -12.623 1.00 10.00 C ATOM 51 OE1 GLN A 1 9.806 -10.292 -12.518 1.00 10.00 O ATOM 52 NE2 GLN A 1 11.510 -8.972 -11.993 1.00 10.00 N ATOM 0 H GLN A 1 7.639 -5.092 -11.747 1.00 10.00 H new ATOM 0 HA GLN A 1 7.825 -8.034 -11.910 1.00 10.00 H new ATOM 0 HB2 GLN A 1 9.077 -6.081 -13.486 1.00 10.00 H new ATOM 0 HB3 GLN A 1 10.291 -6.419 -12.268 1.00 10.00 H new ATOM 0 HG2 GLN A 1 8.932 -8.497 -14.040 1.00 10.00 H new ATOM 0 HG3 GLN A 1 10.548 -7.862 -14.277 1.00 10.00 H new ATOM 0 HE21 GLN A 1 11.966 -8.065 -12.092 1.00 10.00 H new ATOM 0 HE22 GLN A 1 11.932 -9.694 -11.409 1.00 10.00 H new ATOM 61 N ASP A 2 8.799 -6.111 -9.528 1.00 10.00 N ATOM 62 CA ASP A 2 9.308 -5.996 -8.176 1.00 10.00 C ATOM 63 C ASP A 2 8.227 -5.259 -7.372 1.00 10.00 C ATOM 64 O ASP A 2 7.118 -5.042 -7.862 1.00 10.00 O ATOM 65 CB ASP A 2 10.661 -5.253 -8.253 1.00 10.00 C ATOM 66 CG ASP A 2 11.439 -5.228 -6.943 1.00 10.00 C ATOM 67 OD1 ASP A 2 11.131 -4.323 -6.130 1.00 10.00 O ATOM 68 OD2 ASP A 2 12.281 -6.128 -6.759 1.00 10.00 O ATOM 0 H ASP A 2 8.360 -5.249 -9.851 1.00 10.00 H new ATOM 0 HA ASP A 2 9.502 -6.947 -7.680 1.00 10.00 H new ATOM 0 HB2 ASP A 2 11.277 -5.724 -9.019 1.00 10.00 H new ATOM 0 HB3 ASP A 2 10.481 -4.227 -8.575 1.00 10.00 H new ATOM 73 N ALA A 3 8.569 -4.825 -6.170 1.00 10.00 N ATOM 74 CA ALA A 3 7.765 -4.058 -5.252 1.00 10.00 C ATOM 75 C ALA A 3 8.170 -2.583 -5.230 1.00 10.00 C ATOM 76 O ALA A 3 7.291 -1.722 -5.229 1.00 10.00 O ATOM 77 CB ALA A 3 7.972 -4.684 -3.892 1.00 10.00 C ATOM 0 H ALA A 3 9.494 -5.020 -5.786 1.00 10.00 H new ATOM 0 HA ALA A 3 6.718 -4.078 -5.555 1.00 10.00 H new ATOM 0 HB1 ALA A 3 7.385 -4.143 -3.149 1.00 10.00 H new ATOM 0 HB2 ALA A 3 7.653 -5.726 -3.919 1.00 10.00 H new ATOM 0 HB3 ALA A 3 9.028 -4.635 -3.626 1.00 10.00 H new ATOM 83 N GLU A 4 9.474 -2.274 -5.245 1.00 10.00 N ATOM 84 CA GLU A 4 9.928 -0.880 -5.268 1.00 10.00 C ATOM 85 C GLU A 4 9.290 -0.147 -6.451 1.00 10.00 C ATOM 86 O GLU A 4 8.571 0.841 -6.300 1.00 10.00 O ATOM 87 CB GLU A 4 11.467 -0.829 -5.274 1.00 10.00 C ATOM 88 CG GLU A 4 12.090 0.424 -5.930 1.00 10.00 C ATOM 89 CD GLU A 4 11.603 1.775 -5.417 1.00 10.00 C ATOM 90 OE1 GLU A 4 11.552 1.949 -4.180 1.00 10.00 O ATOM 91 OE2 GLU A 4 11.322 2.627 -6.287 1.00 10.00 O ATOM 0 H GLU A 4 10.225 -2.964 -5.242 1.00 10.00 H new ATOM 0 HA GLU A 4 9.604 -0.360 -4.366 1.00 10.00 H new ATOM 0 HB2 GLU A 4 11.819 -0.891 -4.244 1.00 10.00 H new ATOM 0 HB3 GLU A 4 11.840 -1.712 -5.792 1.00 10.00 H new ATOM 0 HG2 GLU A 4 13.171 0.378 -5.796 1.00 10.00 H new ATOM 0 HG3 GLU A 4 11.900 0.378 -7.002 1.00 10.00 H new ATOM 98 N ALA A 5 9.424 -0.752 -7.631 1.00 10.00 N ATOM 99 CA ALA A 5 8.884 -0.203 -8.863 1.00 10.00 C ATOM 100 C ALA A 5 7.356 -0.230 -8.847 1.00 10.00 C ATOM 101 O ALA A 5 6.717 0.648 -9.425 1.00 10.00 O ATOM 102 CB ALA A 5 9.426 -0.996 -10.047 1.00 10.00 C ATOM 0 H ALA A 5 9.912 -1.639 -7.754 1.00 10.00 H new ATOM 0 HA ALA A 5 9.194 0.838 -8.956 1.00 10.00 H new ATOM 0 HB1 ALA A 5 9.023 -0.587 -10.974 1.00 10.00 H new ATOM 0 HB2 ALA A 5 10.514 -0.928 -10.063 1.00 10.00 H new ATOM 0 HB3 ALA A 5 9.129 -2.040 -9.952 1.00 10.00 H new ATOM 108 N ILE A 6 6.751 -1.200 -8.153 1.00 10.00 N ATOM 109 CA ILE A 6 5.301 -1.261 -8.077 1.00 10.00 C ATOM 110 C ILE A 6 4.788 -0.074 -7.279 1.00 10.00 C ATOM 111 O ILE A 6 3.957 0.669 -7.791 1.00 10.00 O ATOM 112 CB ILE A 6 4.817 -2.608 -7.503 1.00 10.00 C ATOM 113 CG1 ILE A 6 3.874 -3.309 -8.479 1.00 10.00 C ATOM 114 CG2 ILE A 6 4.140 -2.569 -6.126 1.00 10.00 C ATOM 115 CD1 ILE A 6 2.565 -2.547 -8.716 1.00 10.00 C ATOM 0 H ILE A 6 7.239 -1.938 -7.646 1.00 10.00 H new ATOM 0 HA ILE A 6 4.888 -1.201 -9.084 1.00 10.00 H new ATOM 0 HB ILE A 6 5.747 -3.158 -7.360 1.00 10.00 H new ATOM 0 HG12 ILE A 6 4.385 -3.444 -9.432 1.00 10.00 H new ATOM 0 HG13 ILE A 6 3.643 -4.304 -8.098 1.00 10.00 H new ATOM 0 HG21 ILE A 6 3.847 -3.578 -5.836 1.00 10.00 H new ATOM 0 HG22 ILE A 6 4.836 -2.168 -5.390 1.00 10.00 H new ATOM 0 HG23 ILE A 6 3.256 -1.934 -6.173 1.00 10.00 H new ATOM 0 HD11 ILE A 6 1.943 -3.102 -9.419 1.00 10.00 H new ATOM 0 HD12 ILE A 6 2.033 -2.435 -7.771 1.00 10.00 H new ATOM 0 HD13 ILE A 6 2.787 -1.562 -9.127 1.00 10.00 H new ATOM 127 N TYR A 7 5.310 0.163 -6.071 1.00 10.00 N ATOM 128 CA TYR A 7 4.793 1.248 -5.252 1.00 10.00 C ATOM 129 C TYR A 7 5.169 2.599 -5.859 1.00 10.00 C ATOM 130 O TYR A 7 4.330 3.489 -5.949 1.00 10.00 O ATOM 131 CB TYR A 7 5.133 1.078 -3.761 1.00 10.00 C ATOM 132 CG TYR A 7 6.413 1.735 -3.297 1.00 10.00 C ATOM 133 CD1 TYR A 7 6.462 3.131 -3.105 1.00 10.00 C ATOM 134 CD2 TYR A 7 7.558 0.958 -3.061 1.00 10.00 C ATOM 135 CE1 TYR A 7 7.696 3.760 -2.874 1.00 10.00 C ATOM 136 CE2 TYR A 7 8.783 1.592 -2.810 1.00 10.00 C ATOM 137 CZ TYR A 7 8.866 2.989 -2.795 1.00 10.00 C ATOM 138 OH TYR A 7 10.082 3.592 -2.752 1.00 10.00 O ATOM 0 H TYR A 7 6.071 -0.371 -5.652 1.00 10.00 H new ATOM 0 HA TYR A 7 3.704 1.211 -5.263 1.00 10.00 H new ATOM 0 HB2 TYR A 7 4.308 1.478 -3.172 1.00 10.00 H new ATOM 0 HB3 TYR A 7 5.194 0.012 -3.541 1.00 10.00 H new ATOM 0 HD1 TYR A 7 5.554 3.714 -3.135 1.00 10.00 H new ATOM 0 HD2 TYR A 7 7.496 -0.120 -3.073 1.00 10.00 H new ATOM 0 HE1 TYR A 7 7.745 4.833 -2.758 1.00 10.00 H new ATOM 0 HE2 TYR A 7 9.667 0.999 -2.627 1.00 10.00 H new ATOM 0 HH TYR A 7 10.762 2.982 -3.107 1.00 10.00 H new ATOM 148 N ASN A 8 6.394 2.716 -6.375 1.00 10.00 N ATOM 149 CA ASN A 8 6.913 3.926 -6.993 1.00 10.00 C ATOM 150 C ASN A 8 6.213 4.238 -8.333 1.00 10.00 C ATOM 151 O ASN A 8 6.148 5.387 -8.747 1.00 10.00 O ATOM 152 CB ASN A 8 8.424 3.726 -7.100 1.00 10.00 C ATOM 153 CG ASN A 8 9.219 4.931 -7.567 1.00 10.00 C ATOM 154 OD1 ASN A 8 8.713 6.020 -7.793 1.00 10.00 O ATOM 155 ND2 ASN A 8 10.510 4.729 -7.732 1.00 10.00 N ATOM 0 H ASN A 8 7.066 1.949 -6.372 1.00 10.00 H new ATOM 0 HA ASN A 8 6.705 4.813 -6.395 1.00 10.00 H new ATOM 0 HB2 ASN A 8 8.801 3.422 -6.124 1.00 10.00 H new ATOM 0 HB3 ASN A 8 8.614 2.901 -7.786 1.00 10.00 H new ATOM 0 HD21 ASN A 8 11.108 5.490 -8.054 1.00 10.00 H new ATOM 0 HD22 ASN A 8 10.912 3.812 -7.537 1.00 10.00 H new ATOM 162 N LYS A 9 5.638 3.236 -9.009 1.00 10.00 N ATOM 163 CA LYS A 9 4.706 3.444 -10.127 1.00 10.00 C ATOM 164 C LYS A 9 3.221 3.585 -9.711 1.00 10.00 C ATOM 165 O LYS A 9 2.447 4.215 -10.427 1.00 10.00 O ATOM 166 CB LYS A 9 4.870 2.302 -11.140 1.00 10.00 C ATOM 167 CG LYS A 9 4.235 2.641 -12.499 1.00 10.00 C ATOM 168 CD LYS A 9 3.476 1.464 -13.139 1.00 10.00 C ATOM 169 CE LYS A 9 2.081 1.243 -12.524 1.00 10.00 C ATOM 170 NZ LYS A 9 2.067 0.225 -11.451 1.00 10.00 N ATOM 0 H LYS A 9 5.806 2.253 -8.796 1.00 10.00 H new ATOM 0 HA LYS A 9 4.970 4.403 -10.573 1.00 10.00 H new ATOM 0 HB2 LYS A 9 5.930 2.090 -11.278 1.00 10.00 H new ATOM 0 HB3 LYS A 9 4.413 1.396 -10.742 1.00 10.00 H new ATOM 0 HG2 LYS A 9 3.548 3.478 -12.370 1.00 10.00 H new ATOM 0 HG3 LYS A 9 5.017 2.972 -13.183 1.00 10.00 H new ATOM 0 HD2 LYS A 9 3.371 1.645 -14.209 1.00 10.00 H new ATOM 0 HD3 LYS A 9 4.065 0.554 -13.026 1.00 10.00 H new ATOM 0 HE2 LYS A 9 1.715 2.188 -12.123 1.00 10.00 H new ATOM 0 HE3 LYS A 9 1.389 0.941 -13.310 1.00 10.00 H new ATOM 0 HZ1 LYS A 9 1.084 -0.036 -11.233 1.00 10.00 H new ATOM 0 HZ2 LYS A 9 2.587 -0.619 -11.766 1.00 10.00 H new ATOM 0 HZ3 LYS A 9 2.520 0.613 -10.599 1.00 10.00 H new ATOM 184 N ALA A 10 2.786 2.939 -8.621 1.00 10.00 N ATOM 185 CA ALA A 10 1.374 2.771 -8.249 1.00 10.00 C ATOM 186 C ALA A 10 1.011 3.607 -7.019 1.00 10.00 C ATOM 187 O ALA A 10 0.295 4.603 -7.123 1.00 10.00 O ATOM 188 CB ALA A 10 1.060 1.287 -8.002 1.00 10.00 C ATOM 0 H ALA A 10 3.425 2.506 -7.954 1.00 10.00 H new ATOM 0 HA ALA A 10 0.767 3.128 -9.081 1.00 10.00 H new ATOM 0 HB1 ALA A 10 0.011 1.178 -7.727 1.00 10.00 H new ATOM 0 HB2 ALA A 10 1.259 0.717 -8.910 1.00 10.00 H new ATOM 0 HB3 ALA A 10 1.688 0.912 -7.194 1.00 10.00 H new ATOM 194 N CYS A 11 1.530 3.232 -5.847 1.00 10.00 N ATOM 195 CA CYS A 11 1.326 3.915 -4.570 1.00 10.00 C ATOM 196 C CYS A 11 2.174 5.218 -4.512 1.00 10.00 C ATOM 197 O CYS A 11 2.817 5.540 -3.515 1.00 10.00 O ATOM 198 CB CYS A 11 1.623 2.959 -3.419 1.00 10.00 C ATOM 199 SG CYS A 11 1.619 1.165 -3.773 1.00 10.00 S ATOM 0 H CYS A 11 2.128 2.410 -5.760 1.00 10.00 H new ATOM 0 HA CYS A 11 0.284 4.219 -4.474 1.00 10.00 H new ATOM 0 HB2 CYS A 11 2.601 3.218 -3.014 1.00 10.00 H new ATOM 0 HB3 CYS A 11 0.892 3.146 -2.632 1.00 10.00 H new ATOM 204 N THR A 12 2.172 5.986 -5.608 1.00 10.00 N ATOM 205 CA THR A 12 3.083 7.103 -5.871 1.00 10.00 C ATOM 206 C THR A 12 2.374 8.396 -6.229 1.00 10.00 C ATOM 207 O THR A 12 3.008 9.439 -6.376 1.00 10.00 O ATOM 208 CB THR A 12 4.044 6.725 -7.002 1.00 10.00 C ATOM 209 OG1 THR A 12 5.086 7.663 -7.055 1.00 10.00 O ATOM 210 CG2 THR A 12 3.339 6.702 -8.366 1.00 10.00 C ATOM 0 H THR A 12 1.507 5.839 -6.367 1.00 10.00 H new ATOM 0 HA THR A 12 3.622 7.287 -4.942 1.00 10.00 H new ATOM 0 HB THR A 12 4.426 5.725 -6.794 1.00 10.00 H new ATOM 0 HG1 THR A 12 4.764 8.528 -6.726 1.00 10.00 H new ATOM 0 HG21 THR A 12 4.055 6.430 -9.141 1.00 10.00 H new ATOM 0 HG22 THR A 12 2.531 5.971 -8.346 1.00 10.00 H new ATOM 0 HG23 THR A 12 2.930 7.689 -8.581 1.00 10.00 H new ATOM 218 N VAL A 13 1.062 8.313 -6.400 1.00 10.00 N ATOM 219 CA VAL A 13 0.228 9.410 -6.844 1.00 10.00 C ATOM 220 C VAL A 13 -0.337 10.111 -5.610 1.00 10.00 C ATOM 221 O VAL A 13 -0.369 11.335 -5.511 1.00 10.00 O ATOM 222 CB VAL A 13 -0.862 8.811 -7.745 1.00 10.00 C ATOM 223 CG1 VAL A 13 -1.723 9.940 -8.290 1.00 10.00 C ATOM 224 CG2 VAL A 13 -0.243 8.034 -8.917 1.00 10.00 C ATOM 0 H VAL A 13 0.538 7.455 -6.228 1.00 10.00 H new ATOM 0 HA VAL A 13 0.775 10.158 -7.417 1.00 10.00 H new ATOM 0 HB VAL A 13 -1.465 8.120 -7.156 1.00 10.00 H new ATOM 0 HG11 VAL A 13 -2.501 9.527 -8.932 1.00 10.00 H new ATOM 0 HG12 VAL A 13 -2.184 10.479 -7.462 1.00 10.00 H new ATOM 0 HG13 VAL A 13 -1.102 10.625 -8.868 1.00 10.00 H new ATOM 0 HG21 VAL A 13 -1.037 7.620 -9.539 1.00 10.00 H new ATOM 0 HG22 VAL A 13 0.373 8.706 -9.514 1.00 10.00 H new ATOM 0 HG23 VAL A 13 0.375 7.223 -8.530 1.00 10.00 H new ATOM 234 N CYS A 14 -0.761 9.288 -4.654 1.00 10.00 N ATOM 235 CA CYS A 14 -1.461 9.680 -3.452 1.00 10.00 C ATOM 236 C CYS A 14 -0.502 9.603 -2.257 1.00 10.00 C ATOM 237 O CYS A 14 -0.259 10.611 -1.608 1.00 10.00 O ATOM 238 CB CYS A 14 -2.660 8.776 -3.344 1.00 10.00 C ATOM 239 SG CYS A 14 -3.570 8.837 -4.916 1.00 10.00 S ATOM 0 H CYS A 14 -0.614 8.280 -4.708 1.00 10.00 H new ATOM 0 HA CYS A 14 -1.811 10.712 -3.473 1.00 10.00 H new ATOM 0 HB2 CYS A 14 -2.346 7.755 -3.127 1.00 10.00 H new ATOM 0 HB3 CYS A 14 -3.302 9.094 -2.522 1.00 10.00 H new ATOM 244 N HIS A 15 0.100 8.440 -1.992 1.00 10.00 N ATOM 245 CA HIS A 15 0.888 8.179 -0.777 1.00 10.00 C ATOM 246 C HIS A 15 2.273 8.851 -0.748 1.00 10.00 C ATOM 247 O HIS A 15 2.923 8.912 0.298 1.00 10.00 O ATOM 248 CB HIS A 15 1.093 6.668 -0.664 1.00 10.00 C ATOM 249 CG HIS A 15 -0.104 5.889 -0.214 1.00 10.00 C ATOM 250 ND1 HIS A 15 -0.147 5.189 0.960 1.00 10.00 N ATOM 251 CD2 HIS A 15 -1.188 5.526 -0.965 1.00 10.00 C ATOM 252 CE1 HIS A 15 -1.234 4.405 0.921 1.00 10.00 C ATOM 253 NE2 HIS A 15 -1.925 4.593 -0.223 1.00 10.00 N ATOM 0 H HIS A 15 0.055 7.640 -2.623 1.00 10.00 H new ATOM 0 HA HIS A 15 0.324 8.603 0.053 1.00 10.00 H new ATOM 0 HB2 HIS A 15 1.409 6.288 -1.636 1.00 10.00 H new ATOM 0 HB3 HIS A 15 1.910 6.480 0.032 1.00 10.00 H new ATOM 0 HD1 HIS A 15 0.525 5.252 1.725 1.00 10.00 H new ATOM 0 HD2 HIS A 15 -1.432 5.892 -1.951 1.00 10.00 H new ATOM 0 HE1 HIS A 15 -1.519 3.715 1.701 1.00 10.00 H new ATOM 261 N SER A 16 2.743 9.329 -1.903 1.00 10.00 N ATOM 262 CA SER A 16 4.039 9.994 -2.032 1.00 10.00 C ATOM 263 C SER A 16 4.006 11.367 -1.349 1.00 10.00 C ATOM 264 O SER A 16 4.915 11.734 -0.609 1.00 10.00 O ATOM 265 CB SER A 16 4.398 10.092 -3.521 1.00 10.00 C ATOM 266 OG SER A 16 5.542 10.898 -3.716 1.00 10.00 O ATOM 0 H SER A 16 2.229 9.264 -2.782 1.00 10.00 H new ATOM 0 HA SER A 16 4.814 9.414 -1.530 1.00 10.00 H new ATOM 0 HB2 SER A 16 4.580 9.094 -3.921 1.00 10.00 H new ATOM 0 HB3 SER A 16 3.557 10.509 -4.075 1.00 10.00 H new ATOM 0 HG SER A 16 5.751 10.943 -4.672 1.00 10.00 H new ATOM 272 N MET A 17 2.914 12.104 -1.584 1.00 10.00 N ATOM 273 CA MET A 17 2.705 13.473 -1.121 1.00 10.00 C ATOM 274 C MET A 17 1.549 13.576 -0.108 1.00 10.00 C ATOM 275 O MET A 17 1.643 14.308 0.874 1.00 10.00 O ATOM 276 CB MET A 17 2.437 14.344 -2.357 1.00 10.00 C ATOM 277 CG MET A 17 3.634 14.383 -3.322 1.00 10.00 C ATOM 278 SD MET A 17 5.127 15.204 -2.708 1.00 10.00 S ATOM 279 CE MET A 17 6.180 15.059 -4.163 1.00 10.00 C ATOM 0 H MET A 17 2.125 11.746 -2.122 1.00 10.00 H new ATOM 0 HA MET A 17 3.594 13.818 -0.593 1.00 10.00 H new ATOM 0 HB2 MET A 17 1.562 13.962 -2.884 1.00 10.00 H new ATOM 0 HB3 MET A 17 2.199 15.359 -2.038 1.00 10.00 H new ATOM 0 HG2 MET A 17 3.892 13.358 -3.590 1.00 10.00 H new ATOM 0 HG3 MET A 17 3.320 14.883 -4.238 1.00 10.00 H new ATOM 0 HE1 MET A 17 7.148 15.517 -3.959 1.00 10.00 H new ATOM 0 HE2 MET A 17 6.321 14.006 -4.407 1.00 10.00 H new ATOM 0 HE3 MET A 17 5.709 15.566 -5.005 1.00 10.00 H new ATOM 289 N GLY A 18 0.458 12.843 -0.354 1.00 10.00 N ATOM 290 CA GLY A 18 -0.759 12.821 0.460 1.00 10.00 C ATOM 291 C GLY A 18 -1.819 13.816 -0.033 1.00 10.00 C ATOM 292 O GLY A 18 -2.218 14.718 0.697 1.00 10.00 O ATOM 0 H GLY A 18 0.398 12.222 -1.161 1.00 10.00 H new ATOM 0 HA2 GLY A 18 -1.179 11.815 0.451 1.00 10.00 H new ATOM 0 HA3 GLY A 18 -0.504 13.051 1.494 1.00 10.00 H new ATOM 296 N VAL A 19 -2.302 13.638 -1.271 1.00 10.00 N ATOM 297 CA VAL A 19 -3.253 14.561 -1.912 1.00 10.00 C ATOM 298 C VAL A 19 -4.690 14.284 -1.489 1.00 10.00 C ATOM 299 O VAL A 19 -5.368 15.133 -0.919 1.00 10.00 O ATOM 300 CB VAL A 19 -3.093 14.545 -3.445 1.00 10.00 C ATOM 301 CG1 VAL A 19 -4.113 15.471 -4.125 1.00 10.00 C ATOM 302 CG2 VAL A 19 -1.685 15.000 -3.846 1.00 10.00 C ATOM 0 H VAL A 19 -2.043 12.846 -1.860 1.00 10.00 H new ATOM 0 HA VAL A 19 -3.015 15.567 -1.566 1.00 10.00 H new ATOM 0 HB VAL A 19 -3.263 13.519 -3.772 1.00 10.00 H new ATOM 0 HG11 VAL A 19 -3.973 15.436 -5.205 1.00 10.00 H new ATOM 0 HG12 VAL A 19 -5.123 15.142 -3.880 1.00 10.00 H new ATOM 0 HG13 VAL A 19 -3.968 16.492 -3.773 1.00 10.00 H new ATOM 0 HG21 VAL A 19 -1.592 14.982 -4.932 1.00 10.00 H new ATOM 0 HG22 VAL A 19 -1.513 16.014 -3.484 1.00 10.00 H new ATOM 0 HG23 VAL A 19 -0.947 14.328 -3.407 1.00 10.00 H new ATOM 312 N ALA A 20 -5.142 13.053 -1.702 1.00 10.00 N ATOM 313 CA ALA A 20 -6.468 12.593 -1.305 1.00 10.00 C ATOM 314 C ALA A 20 -6.490 12.168 0.171 1.00 10.00 C ATOM 315 O ALA A 20 -7.194 11.238 0.552 1.00 10.00 O ATOM 316 CB ALA A 20 -6.825 11.443 -2.240 1.00 10.00 C ATOM 0 H ALA A 20 -4.586 12.333 -2.164 1.00 10.00 H new ATOM 0 HA ALA A 20 -7.205 13.392 -1.389 1.00 10.00 H new ATOM 0 HB1 ALA A 20 -7.813 11.060 -1.985 1.00 10.00 H new ATOM 0 HB2 ALA A 20 -6.829 11.799 -3.270 1.00 10.00 H new ATOM 0 HB3 ALA A 20 -6.089 10.646 -2.134 1.00 10.00 H new ATOM 322 N GLY A 21 -5.652 12.812 0.987 1.00 10.00 N ATOM 323 CA GLY A 21 -5.421 12.440 2.383 1.00 10.00 C ATOM 324 C GLY A 21 -4.745 11.070 2.540 1.00 10.00 C ATOM 325 O GLY A 21 -4.773 10.478 3.615 1.00 10.00 O ATOM 0 H GLY A 21 -5.106 13.621 0.690 1.00 10.00 H new ATOM 0 HA2 GLY A 21 -4.801 13.201 2.857 1.00 10.00 H new ATOM 0 HA3 GLY A 21 -6.374 12.431 2.912 1.00 10.00 H new ATOM 329 N ALA A 22 -4.116 10.561 1.473 1.00 10.00 N ATOM 330 CA ALA A 22 -3.424 9.279 1.499 1.00 10.00 C ATOM 331 C ALA A 22 -2.240 9.292 2.482 1.00 10.00 C ATOM 332 O ALA A 22 -1.558 10.310 2.612 1.00 10.00 O ATOM 333 CB ALA A 22 -2.983 8.917 0.083 1.00 10.00 C ATOM 0 H ALA A 22 -4.076 11.032 0.569 1.00 10.00 H new ATOM 0 HA ALA A 22 -4.110 8.513 1.860 1.00 10.00 H new ATOM 0 HB1 ALA A 22 -2.465 7.958 0.097 1.00 10.00 H new ATOM 0 HB2 ALA A 22 -3.858 8.847 -0.564 1.00 10.00 H new ATOM 0 HB3 ALA A 22 -2.311 9.687 -0.297 1.00 10.00 H new ATOM 339 N PRO A 23 -1.990 8.179 3.189 1.00 10.00 N ATOM 340 CA PRO A 23 -0.998 8.125 4.248 1.00 10.00 C ATOM 341 C PRO A 23 0.419 8.086 3.676 1.00 10.00 C ATOM 342 O PRO A 23 0.662 7.531 2.604 1.00 10.00 O ATOM 343 CB PRO A 23 -1.306 6.843 5.011 1.00 10.00 C ATOM 344 CG PRO A 23 -1.847 5.929 3.914 1.00 10.00 C ATOM 345 CD PRO A 23 -2.648 6.893 3.041 1.00 10.00 C ATOM 0 HA PRO A 23 -1.042 9.006 4.888 1.00 10.00 H new ATOM 0 HB2 PRO A 23 -0.416 6.428 5.483 1.00 10.00 H new ATOM 0 HB3 PRO A 23 -2.039 7.007 5.801 1.00 10.00 H new ATOM 0 HG2 PRO A 23 -1.044 5.448 3.355 1.00 10.00 H new ATOM 0 HG3 PRO A 23 -2.473 5.135 4.320 1.00 10.00 H new ATOM 0 HD2 PRO A 23 -2.652 6.570 2.000 1.00 10.00 H new ATOM 0 HD3 PRO A 23 -3.688 6.944 3.363 1.00 10.00 H new ATOM 353 N LYS A 24 1.368 8.650 4.424 1.00 10.00 N ATOM 354 CA LYS A 24 2.748 8.774 3.976 1.00 10.00 C ATOM 355 C LYS A 24 3.416 7.413 3.766 1.00 10.00 C ATOM 356 O LYS A 24 3.350 6.534 4.634 1.00 10.00 O ATOM 357 CB LYS A 24 3.533 9.649 4.969 1.00 10.00 C ATOM 358 CG LYS A 24 3.975 10.963 4.321 1.00 10.00 C ATOM 359 CD LYS A 24 4.401 12.003 5.374 1.00 10.00 C ATOM 360 CE LYS A 24 3.572 13.289 5.209 1.00 10.00 C ATOM 361 NZ LYS A 24 4.264 14.465 5.776 1.00 10.00 N ATOM 0 H LYS A 24 1.198 9.032 5.355 1.00 10.00 H new ATOM 0 HA LYS A 24 2.749 9.259 3.000 1.00 10.00 H new ATOM 0 HB2 LYS A 24 2.913 9.861 5.840 1.00 10.00 H new ATOM 0 HB3 LYS A 24 4.407 9.104 5.325 1.00 10.00 H new ATOM 0 HG2 LYS A 24 4.806 10.772 3.641 1.00 10.00 H new ATOM 0 HG3 LYS A 24 3.159 11.366 3.721 1.00 10.00 H new ATOM 0 HD2 LYS A 24 4.261 11.597 6.376 1.00 10.00 H new ATOM 0 HD3 LYS A 24 5.462 12.228 5.266 1.00 10.00 H new ATOM 0 HE2 LYS A 24 3.373 13.460 4.151 1.00 10.00 H new ATOM 0 HE3 LYS A 24 2.606 13.164 5.699 1.00 10.00 H new ATOM 0 HZ1 LYS A 24 3.674 15.311 5.645 1.00 10.00 H new ATOM 0 HZ2 LYS A 24 4.432 14.313 6.791 1.00 10.00 H new ATOM 0 HZ3 LYS A 24 5.174 14.599 5.291 1.00 10.00 H new ATOM 375 N SER A 25 4.116 7.288 2.633 1.00 10.00 N ATOM 376 CA SER A 25 4.954 6.148 2.259 1.00 10.00 C ATOM 377 C SER A 25 5.923 5.682 3.359 1.00 10.00 C ATOM 378 O SER A 25 6.351 4.535 3.339 1.00 10.00 O ATOM 379 CB SER A 25 5.731 6.510 0.987 1.00 10.00 C ATOM 380 OG SER A 25 6.552 7.635 1.243 1.00 10.00 O ATOM 0 H SER A 25 4.112 8.016 1.918 1.00 10.00 H new ATOM 0 HA SER A 25 4.285 5.304 2.091 1.00 10.00 H new ATOM 0 HB2 SER A 25 6.341 5.665 0.667 1.00 10.00 H new ATOM 0 HB3 SER A 25 5.039 6.728 0.174 1.00 10.00 H new ATOM 0 HG SER A 25 7.051 7.867 0.432 1.00 10.00 H new ATOM 386 N HIS A 26 6.282 6.542 4.317 1.00 10.00 N ATOM 387 CA HIS A 26 7.187 6.186 5.410 1.00 10.00 C ATOM 388 C HIS A 26 6.772 6.794 6.760 1.00 10.00 C ATOM 389 O HIS A 26 7.617 7.219 7.544 1.00 10.00 O ATOM 390 CB HIS A 26 8.632 6.520 5.007 1.00 10.00 C ATOM 391 CG HIS A 26 9.005 7.984 5.039 1.00 10.00 C ATOM 392 ND1 HIS A 26 10.208 8.478 5.487 1.00 10.00 N ATOM 393 CD2 HIS A 26 8.211 9.061 4.729 1.00 10.00 C ATOM 394 CE1 HIS A 26 10.140 9.819 5.447 1.00 10.00 C ATOM 395 NE2 HIS A 26 8.942 10.222 4.994 1.00 10.00 N ATOM 0 H HIS A 26 5.952 7.506 4.355 1.00 10.00 H new ATOM 0 HA HIS A 26 7.122 5.111 5.575 1.00 10.00 H new ATOM 0 HB2 HIS A 26 9.308 5.978 5.669 1.00 10.00 H new ATOM 0 HB3 HIS A 26 8.804 6.143 3.999 1.00 10.00 H new ATOM 0 HD2 HIS A 26 7.201 9.018 4.348 1.00 10.00 H new ATOM 0 HE1 HIS A 26 10.940 10.483 5.739 1.00 10.00 H new ATOM 0 HE2 HIS A 26 8.628 11.184 4.868 1.00 10.00 H new ATOM 403 N ASN A 27 5.470 6.814 7.058 1.00 10.00 N ATOM 404 CA ASN A 27 5.000 7.163 8.397 1.00 10.00 C ATOM 405 C ASN A 27 5.195 5.984 9.363 1.00 10.00 C ATOM 406 O ASN A 27 5.111 4.827 8.963 1.00 10.00 O ATOM 407 CB ASN A 27 3.517 7.590 8.346 1.00 10.00 C ATOM 408 CG ASN A 27 3.286 9.098 8.318 1.00 10.00 C ATOM 409 OD1 ASN A 27 4.207 9.904 8.372 1.00 10.00 O ATOM 410 ND2 ASN A 27 2.031 9.517 8.245 1.00 10.00 N ATOM 0 H ASN A 27 4.728 6.594 6.393 1.00 10.00 H new ATOM 0 HA ASN A 27 5.589 8.003 8.766 1.00 10.00 H new ATOM 0 HB2 ASN A 27 3.057 7.150 7.461 1.00 10.00 H new ATOM 0 HB3 ASN A 27 3.004 7.174 9.213 1.00 10.00 H new ATOM 0 HD21 ASN A 27 1.827 10.516 8.233 1.00 10.00 H new ATOM 0 HD22 ASN A 27 1.269 8.840 8.200 1.00 10.00 H new ATOM 417 N THR A 28 5.383 6.284 10.651 1.00 10.00 N ATOM 418 CA THR A 28 5.264 5.288 11.723 1.00 10.00 C ATOM 419 C THR A 28 3.991 5.511 12.538 1.00 10.00 C ATOM 420 O THR A 28 3.381 4.550 12.979 1.00 10.00 O ATOM 421 CB THR A 28 6.515 5.289 12.613 1.00 10.00 C ATOM 422 OG1 THR A 28 7.626 4.998 11.796 1.00 10.00 O ATOM 423 CG2 THR A 28 6.454 4.217 13.707 1.00 10.00 C ATOM 0 H THR A 28 5.621 7.219 10.981 1.00 10.00 H new ATOM 0 HA THR A 28 5.189 4.302 11.265 1.00 10.00 H new ATOM 0 HB THR A 28 6.586 6.265 13.093 1.00 10.00 H new ATOM 0 HG1 THR A 28 8.441 4.994 12.341 1.00 10.00 H new ATOM 0 HG21 THR A 28 7.362 4.259 14.309 1.00 10.00 H new ATOM 0 HG22 THR A 28 5.588 4.396 14.344 1.00 10.00 H new ATOM 0 HG23 THR A 28 6.369 3.232 13.247 1.00 10.00 H new ATOM 431 N ALA A 29 3.511 6.750 12.673 1.00 10.00 N ATOM 432 CA ALA A 29 2.315 7.035 13.471 1.00 10.00 C ATOM 433 C ALA A 29 1.019 6.542 12.814 1.00 10.00 C ATOM 434 O ALA A 29 0.110 6.076 13.495 1.00 10.00 O ATOM 435 CB ALA A 29 2.246 8.533 13.745 1.00 10.00 C ATOM 0 H ALA A 29 3.932 7.572 12.240 1.00 10.00 H new ATOM 0 HA ALA A 29 2.402 6.484 14.407 1.00 10.00 H new ATOM 0 HB1 ALA A 29 1.359 8.754 14.338 1.00 10.00 H new ATOM 0 HB2 ALA A 29 3.136 8.844 14.293 1.00 10.00 H new ATOM 0 HB3 ALA A 29 2.194 9.074 12.800 1.00 10.00 H new ATOM 441 N ASP A 30 0.932 6.635 11.484 1.00 10.00 N ATOM 442 CA ASP A 30 -0.231 6.194 10.722 1.00 10.00 C ATOM 443 C ASP A 30 -0.204 4.663 10.544 1.00 10.00 C ATOM 444 O ASP A 30 -1.237 3.998 10.474 1.00 10.00 O ATOM 445 CB ASP A 30 -0.205 6.973 9.398 1.00 10.00 C ATOM 446 CG ASP A 30 -1.559 7.115 8.731 1.00 10.00 C ATOM 447 OD1 ASP A 30 -2.397 6.194 8.866 1.00 10.00 O ATOM 448 OD2 ASP A 30 -1.697 8.117 8.006 1.00 10.00 O ATOM 0 H ASP A 30 1.676 7.023 10.904 1.00 10.00 H new ATOM 0 HA ASP A 30 -1.170 6.401 11.235 1.00 10.00 H new ATOM 0 HB2 ASP A 30 0.202 7.967 9.583 1.00 10.00 H new ATOM 0 HB3 ASP A 30 0.476 6.473 8.709 1.00 10.00 H new ATOM 453 N TRP A 31 1.009 4.099 10.497 1.00 10.00 N ATOM 454 CA TRP A 31 1.286 2.675 10.358 1.00 10.00 C ATOM 455 C TRP A 31 1.200 1.939 11.716 1.00 10.00 C ATOM 456 O TRP A 31 0.760 0.795 11.749 1.00 10.00 O ATOM 457 CB TRP A 31 2.627 2.489 9.621 1.00 10.00 C ATOM 458 CG TRP A 31 2.687 3.010 8.196 1.00 10.00 C ATOM 459 CD1 TRP A 31 2.552 4.310 7.841 1.00 10.00 C ATOM 460 CD2 TRP A 31 2.860 2.299 6.925 1.00 10.00 C ATOM 461 NE1 TRP A 31 2.631 4.463 6.474 1.00 10.00 N ATOM 462 CE2 TRP A 31 2.751 3.245 5.857 1.00 10.00 C ATOM 463 CE3 TRP A 31 3.043 0.949 6.544 1.00 10.00 C ATOM 464 CZ2 TRP A 31 2.743 2.877 4.507 1.00 10.00 C ATOM 465 CZ3 TRP A 31 2.961 0.559 5.195 1.00 10.00 C ATOM 466 CH2 TRP A 31 2.751 1.514 4.188 1.00 10.00 C ATOM 0 H TRP A 31 1.862 4.656 10.558 1.00 10.00 H new ATOM 0 HA TRP A 31 0.515 2.205 9.747 1.00 10.00 H new ATOM 0 HB2 TRP A 31 3.407 2.983 10.200 1.00 10.00 H new ATOM 0 HB3 TRP A 31 2.866 1.426 9.607 1.00 10.00 H new ATOM 0 HD1 TRP A 31 2.402 5.121 8.538 1.00 10.00 H new ATOM 0 HE1 TRP A 31 2.604 5.359 5.988 1.00 10.00 H new ATOM 0 HE3 TRP A 31 3.249 0.206 7.301 1.00 10.00 H new ATOM 0 HZ2 TRP A 31 2.731 3.627 3.730 1.00 10.00 H new ATOM 0 HZ3 TRP A 31 3.060 -0.484 4.932 1.00 10.00 H new ATOM 0 HH2 TRP A 31 2.596 1.197 3.167 1.00 10.00 H new ATOM 477 N GLU A 32 1.531 2.586 12.843 1.00 10.00 N ATOM 478 CA GLU A 32 1.356 2.056 14.205 1.00 10.00 C ATOM 479 C GLU A 32 0.027 1.298 14.417 1.00 10.00 C ATOM 480 O GLU A 32 0.049 0.088 14.648 1.00 10.00 O ATOM 481 CB GLU A 32 1.540 3.192 15.233 1.00 10.00 C ATOM 482 CG GLU A 32 2.955 3.256 15.844 1.00 10.00 C ATOM 483 CD GLU A 32 2.970 2.896 17.326 1.00 10.00 C ATOM 484 OE1 GLU A 32 2.469 1.799 17.648 1.00 10.00 O ATOM 485 OE2 GLU A 32 3.470 3.735 18.105 1.00 10.00 O ATOM 0 H GLU A 32 1.940 3.520 12.833 1.00 10.00 H new ATOM 0 HA GLU A 32 2.130 1.303 14.357 1.00 10.00 H new ATOM 0 HB2 GLU A 32 1.319 4.144 14.751 1.00 10.00 H new ATOM 0 HB3 GLU A 32 0.813 3.064 16.035 1.00 10.00 H new ATOM 0 HG2 GLU A 32 3.612 2.576 15.302 1.00 10.00 H new ATOM 0 HG3 GLU A 32 3.358 4.260 15.714 1.00 10.00 H new ATOM 492 N PRO A 33 -1.146 1.945 14.272 1.00 10.00 N ATOM 493 CA PRO A 33 -2.440 1.290 14.451 1.00 10.00 C ATOM 494 C PRO A 33 -2.806 0.319 13.316 1.00 10.00 C ATOM 495 O PRO A 33 -3.918 -0.204 13.288 1.00 10.00 O ATOM 496 CB PRO A 33 -3.446 2.441 14.559 1.00 10.00 C ATOM 497 CG PRO A 33 -2.821 3.531 13.689 1.00 10.00 C ATOM 498 CD PRO A 33 -1.328 3.355 13.961 1.00 10.00 C ATOM 0 HA PRO A 33 -2.430 0.654 15.336 1.00 10.00 H new ATOM 0 HB2 PRO A 33 -4.431 2.150 14.195 1.00 10.00 H new ATOM 0 HB3 PRO A 33 -3.572 2.771 15.590 1.00 10.00 H new ATOM 0 HG2 PRO A 33 -3.060 3.395 12.634 1.00 10.00 H new ATOM 0 HG3 PRO A 33 -3.170 4.525 13.970 1.00 10.00 H new ATOM 0 HD2 PRO A 33 -0.736 3.644 13.093 1.00 10.00 H new ATOM 0 HD3 PRO A 33 -1.005 3.984 14.791 1.00 10.00 H new ATOM 506 N ARG A 34 -1.891 0.062 12.378 1.00 10.00 N ATOM 507 CA ARG A 34 -2.062 -0.870 11.272 1.00 10.00 C ATOM 508 C ARG A 34 -1.185 -2.115 11.513 1.00 10.00 C ATOM 509 O ARG A 34 -1.650 -3.249 11.401 1.00 10.00 O ATOM 510 CB ARG A 34 -1.743 -0.126 9.966 1.00 10.00 C ATOM 511 CG ARG A 34 -2.494 1.210 9.812 1.00 10.00 C ATOM 512 CD ARG A 34 -3.979 1.025 9.504 1.00 10.00 C ATOM 513 NE ARG A 34 -4.646 2.334 9.349 1.00 10.00 N ATOM 514 CZ ARG A 34 -5.862 2.535 8.823 1.00 10.00 C ATOM 515 NH1 ARG A 34 -6.601 1.506 8.422 1.00 10.00 N ATOM 516 NH2 ARG A 34 -6.337 3.766 8.672 1.00 10.00 N ATOM 0 H ARG A 34 -0.978 0.517 12.372 1.00 10.00 H new ATOM 0 HA ARG A 34 -3.087 -1.233 11.197 1.00 10.00 H new ATOM 0 HB2 ARG A 34 -0.671 0.063 9.919 1.00 10.00 H new ATOM 0 HB3 ARG A 34 -1.990 -0.770 9.122 1.00 10.00 H new ATOM 0 HG2 ARG A 34 -2.388 1.789 10.730 1.00 10.00 H new ATOM 0 HG3 ARG A 34 -2.032 1.791 9.014 1.00 10.00 H new ATOM 0 HD2 ARG A 34 -4.096 0.441 8.591 1.00 10.00 H new ATOM 0 HD3 ARG A 34 -4.455 0.461 10.307 1.00 10.00 H new ATOM 0 HE ARG A 34 -4.136 3.157 9.671 1.00 10.00 H new ATOM 0 HH11 ARG A 34 -6.244 0.555 8.514 1.00 10.00 H new ATOM 0 HH12 ARG A 34 -7.526 1.667 8.023 1.00 10.00 H new ATOM 0 HH21 ARG A 34 -5.775 4.568 8.957 1.00 10.00 H new ATOM 0 HH22 ARG A 34 -7.264 3.909 8.271 1.00 10.00 H new ATOM 530 N LEU A 35 0.057 -1.905 11.970 1.00 10.00 N ATOM 531 CA LEU A 35 1.030 -2.942 12.339 1.00 10.00 C ATOM 532 C LEU A 35 0.666 -3.664 13.655 1.00 10.00 C ATOM 533 O LEU A 35 1.424 -4.484 14.164 1.00 10.00 O ATOM 534 CB LEU A 35 2.414 -2.277 12.464 1.00 10.00 C ATOM 535 CG LEU A 35 3.563 -3.061 11.813 1.00 10.00 C ATOM 536 CD1 LEU A 35 4.857 -2.307 12.112 1.00 10.00 C ATOM 537 CD2 LEU A 35 3.712 -4.499 12.302 1.00 10.00 C ATOM 0 H LEU A 35 0.428 -0.964 12.098 1.00 10.00 H new ATOM 0 HA LEU A 35 1.030 -3.706 11.561 1.00 10.00 H new ATOM 0 HB2 LEU A 35 2.368 -1.285 12.014 1.00 10.00 H new ATOM 0 HB3 LEU A 35 2.641 -2.137 13.521 1.00 10.00 H new ATOM 0 HG LEU A 35 3.340 -3.131 10.748 1.00 10.00 H new ATOM 0 HD11 LEU A 35 5.698 -2.836 11.664 1.00 10.00 H new ATOM 0 HD12 LEU A 35 4.797 -1.302 11.695 1.00 10.00 H new ATOM 0 HD13 LEU A 35 5.001 -2.245 13.191 1.00 10.00 H new ATOM 0 HD21 LEU A 35 4.548 -4.974 11.788 1.00 10.00 H new ATOM 0 HD22 LEU A 35 3.899 -4.501 13.376 1.00 10.00 H new ATOM 0 HD23 LEU A 35 2.796 -5.051 12.092 1.00 10.00 H new ATOM 549 N ALA A 36 -0.507 -3.363 14.209 1.00 10.00 N ATOM 550 CA ALA A 36 -1.033 -3.936 15.436 1.00 10.00 C ATOM 551 C ALA A 36 -1.633 -5.309 15.133 1.00 10.00 C ATOM 552 O ALA A 36 -1.541 -6.223 15.945 1.00 10.00 O ATOM 553 CB ALA A 36 -2.083 -2.981 16.011 1.00 10.00 C ATOM 0 H ALA A 36 -1.141 -2.682 13.792 1.00 10.00 H new ATOM 0 HA ALA A 36 -0.242 -4.069 16.174 1.00 10.00 H new ATOM 0 HB1 ALA A 36 -2.488 -3.398 16.933 1.00 10.00 H new ATOM 0 HB2 ALA A 36 -1.621 -2.016 16.221 1.00 10.00 H new ATOM 0 HB3 ALA A 36 -2.889 -2.848 15.289 1.00 10.00 H new ATOM 559 N LYS A 37 -2.234 -5.447 13.942 1.00 10.00 N ATOM 560 CA LYS A 37 -2.674 -6.740 13.445 1.00 10.00 C ATOM 561 C LYS A 37 -1.510 -7.526 12.831 1.00 10.00 C ATOM 562 O LYS A 37 -1.184 -8.615 13.293 1.00 10.00 O ATOM 563 CB LYS A 37 -3.855 -6.580 12.476 1.00 10.00 C ATOM 564 CG LYS A 37 -5.127 -6.147 13.228 1.00 10.00 C ATOM 565 CD LYS A 37 -6.393 -6.877 12.744 1.00 10.00 C ATOM 566 CE LYS A 37 -7.252 -6.000 11.826 1.00 10.00 C ATOM 567 NZ LYS A 37 -8.465 -6.722 11.382 1.00 10.00 N ATOM 0 H LYS A 37 -2.423 -4.669 13.309 1.00 10.00 H new ATOM 0 HA LYS A 37 -3.033 -7.329 14.289 1.00 10.00 H new ATOM 0 HB2 LYS A 37 -3.608 -5.840 11.714 1.00 10.00 H new ATOM 0 HB3 LYS A 37 -4.036 -7.522 11.958 1.00 10.00 H new ATOM 0 HG2 LYS A 37 -4.993 -6.333 14.294 1.00 10.00 H new ATOM 0 HG3 LYS A 37 -5.266 -5.073 13.107 1.00 10.00 H new ATOM 0 HD2 LYS A 37 -6.106 -7.784 12.213 1.00 10.00 H new ATOM 0 HD3 LYS A 37 -6.984 -7.186 13.606 1.00 10.00 H new ATOM 0 HE2 LYS A 37 -7.539 -5.089 12.352 1.00 10.00 H new ATOM 0 HE3 LYS A 37 -6.668 -5.696 10.958 1.00 10.00 H new ATOM 0 HZ1 LYS A 37 -9.028 -6.106 10.762 1.00 10.00 H new ATOM 0 HZ2 LYS A 37 -8.188 -7.578 10.860 1.00 10.00 H new ATOM 0 HZ3 LYS A 37 -9.032 -6.990 12.211 1.00 10.00 H new ATOM 581 N GLY A 38 -0.892 -6.976 11.780 1.00 10.00 N ATOM 582 CA GLY A 38 0.288 -7.568 11.155 1.00 10.00 C ATOM 583 C GLY A 38 0.357 -7.235 9.665 1.00 10.00 C ATOM 584 O GLY A 38 0.208 -6.078 9.278 1.00 10.00 O ATOM 0 H GLY A 38 -1.199 -6.108 11.341 1.00 10.00 H new ATOM 0 HA2 GLY A 38 1.187 -7.203 11.653 1.00 10.00 H new ATOM 0 HA3 GLY A 38 0.267 -8.650 11.287 1.00 10.00 H new ATOM 588 N VAL A 39 0.514 -8.268 8.836 1.00 10.00 N ATOM 589 CA VAL A 39 0.509 -8.215 7.385 1.00 10.00 C ATOM 590 C VAL A 39 -0.582 -9.142 6.853 1.00 10.00 C ATOM 591 O VAL A 39 -1.262 -9.819 7.622 1.00 10.00 O ATOM 592 CB VAL A 39 1.895 -8.581 6.829 1.00 10.00 C ATOM 593 CG1 VAL A 39 2.848 -7.399 7.007 1.00 10.00 C ATOM 594 CG2 VAL A 39 2.495 -9.840 7.470 1.00 10.00 C ATOM 0 H VAL A 39 0.656 -9.216 9.186 1.00 10.00 H new ATOM 0 HA VAL A 39 0.290 -7.201 7.052 1.00 10.00 H new ATOM 0 HB VAL A 39 1.762 -8.807 5.771 1.00 10.00 H new ATOM 0 HG11 VAL A 39 3.830 -7.661 6.612 1.00 10.00 H new ATOM 0 HG12 VAL A 39 2.459 -6.534 6.469 1.00 10.00 H new ATOM 0 HG13 VAL A 39 2.935 -7.158 8.067 1.00 10.00 H new ATOM 0 HG21 VAL A 39 3.473 -10.041 7.032 1.00 10.00 H new ATOM 0 HG22 VAL A 39 2.603 -9.685 8.544 1.00 10.00 H new ATOM 0 HG23 VAL A 39 1.836 -10.689 7.290 1.00 10.00 H new ATOM 604 N ASP A 40 -0.809 -9.088 5.542 1.00 10.00 N ATOM 605 CA ASP A 40 -1.846 -9.834 4.847 1.00 10.00 C ATOM 606 C ASP A 40 -3.282 -9.460 5.281 1.00 10.00 C ATOM 607 O ASP A 40 -4.240 -10.091 4.844 1.00 10.00 O ATOM 608 CB ASP A 40 -1.554 -11.339 4.899 1.00 10.00 C ATOM 609 CG ASP A 40 -0.113 -11.706 4.557 1.00 10.00 C ATOM 610 OD1 ASP A 40 0.505 -10.960 3.766 1.00 10.00 O ATOM 611 OD2 ASP A 40 0.347 -12.740 5.086 1.00 10.00 O ATOM 0 H ASP A 40 -0.255 -8.503 4.917 1.00 10.00 H new ATOM 0 HA ASP A 40 -1.812 -9.535 3.799 1.00 10.00 H new ATOM 0 HB2 ASP A 40 -1.784 -11.709 5.898 1.00 10.00 H new ATOM 0 HB3 ASP A 40 -2.222 -11.852 4.207 1.00 10.00 H new ATOM 616 N ASN A 41 -3.442 -8.389 6.075 1.00 10.00 N ATOM 617 CA ASN A 41 -4.736 -7.790 6.399 1.00 10.00 C ATOM 618 C ASN A 41 -5.030 -6.671 5.396 1.00 10.00 C ATOM 619 O ASN A 41 -5.979 -6.716 4.620 1.00 10.00 O ATOM 620 CB ASN A 41 -4.755 -7.229 7.844 1.00 10.00 C ATOM 621 CG ASN A 41 -3.823 -7.908 8.843 1.00 10.00 C ATOM 622 OD1 ASN A 41 -2.824 -7.178 9.326 1.00 10.00 O flip ATOM 623 ND2 ASN A 41 -4.039 -9.041 9.242 1.00 10.00 N flip ATOM 0 H ASN A 41 -2.657 -7.910 6.516 1.00 10.00 H new ATOM 0 HA ASN A 41 -5.504 -8.561 6.336 1.00 10.00 H new ATOM 0 HB2 ASN A 41 -4.501 -6.170 7.804 1.00 10.00 H new ATOM 0 HB3 ASN A 41 -5.774 -7.298 8.225 1.00 10.00 H new ATOM 0 HD21 ASN A 41 -4.813 -9.580 8.854 1.00 10.00 H new ATOM 0 HD22 ASN A 41 -3.445 -9.449 9.964 1.00 10.00 H new ATOM 630 N LEU A 42 -4.171 -5.656 5.399 1.00 10.00 N ATOM 631 CA LEU A 42 -4.360 -4.436 4.631 1.00 10.00 C ATOM 632 C LEU A 42 -4.089 -4.664 3.141 1.00 10.00 C ATOM 633 O LEU A 42 -4.720 -4.037 2.288 1.00 10.00 O ATOM 634 CB LEU A 42 -3.482 -3.356 5.266 1.00 10.00 C ATOM 635 CG LEU A 42 -4.097 -2.900 6.605 1.00 10.00 C ATOM 636 CD1 LEU A 42 -3.159 -3.116 7.796 1.00 10.00 C ATOM 637 CD2 LEU A 42 -4.484 -1.423 6.538 1.00 10.00 C ATOM 0 H LEU A 42 -3.310 -5.661 5.946 1.00 10.00 H new ATOM 0 HA LEU A 42 -5.398 -4.104 4.666 1.00 10.00 H new ATOM 0 HB2 LEU A 42 -2.476 -3.743 5.431 1.00 10.00 H new ATOM 0 HB3 LEU A 42 -3.390 -2.506 4.590 1.00 10.00 H new ATOM 0 HG LEU A 42 -4.981 -3.518 6.762 1.00 10.00 H new ATOM 0 HD11 LEU A 42 -3.647 -2.776 8.710 1.00 10.00 H new ATOM 0 HD12 LEU A 42 -2.921 -4.176 7.884 1.00 10.00 H new ATOM 0 HD13 LEU A 42 -2.240 -2.550 7.643 1.00 10.00 H new ATOM 0 HD21 LEU A 42 -4.916 -1.117 7.490 1.00 10.00 H new ATOM 0 HD22 LEU A 42 -3.597 -0.823 6.333 1.00 10.00 H new ATOM 0 HD23 LEU A 42 -5.215 -1.274 5.743 1.00 10.00 H new ATOM 649 N VAL A 43 -3.245 -5.649 2.807 1.00 10.00 N ATOM 650 CA VAL A 43 -3.033 -6.038 1.418 1.00 10.00 C ATOM 651 C VAL A 43 -4.348 -6.553 0.798 1.00 10.00 C ATOM 652 O VAL A 43 -4.598 -6.402 -0.399 1.00 10.00 O ATOM 653 CB VAL A 43 -1.866 -7.040 1.343 1.00 10.00 C ATOM 654 CG1 VAL A 43 -2.328 -8.494 1.385 1.00 10.00 C ATOM 655 CG2 VAL A 43 -1.043 -6.833 0.074 1.00 10.00 C ATOM 0 H VAL A 43 -2.702 -6.187 3.482 1.00 10.00 H new ATOM 0 HA VAL A 43 -2.745 -5.177 0.816 1.00 10.00 H new ATOM 0 HB VAL A 43 -1.257 -6.845 2.226 1.00 10.00 H new ATOM 0 HG11 VAL A 43 -1.461 -9.153 1.329 1.00 10.00 H new ATOM 0 HG12 VAL A 43 -2.864 -8.679 2.316 1.00 10.00 H new ATOM 0 HG13 VAL A 43 -2.989 -8.690 0.541 1.00 10.00 H new ATOM 0 HG21 VAL A 43 -0.226 -7.554 0.048 1.00 10.00 H new ATOM 0 HG22 VAL A 43 -1.679 -6.974 -0.800 1.00 10.00 H new ATOM 0 HG23 VAL A 43 -0.635 -5.822 0.066 1.00 10.00 H new ATOM 665 N LYS A 44 -5.226 -7.135 1.631 1.00 10.00 N ATOM 666 CA LYS A 44 -6.538 -7.590 1.195 1.00 10.00 C ATOM 667 C LYS A 44 -7.448 -6.400 0.856 1.00 10.00 C ATOM 668 O LYS A 44 -8.110 -6.398 -0.180 1.00 10.00 O ATOM 669 CB LYS A 44 -7.163 -8.553 2.213 1.00 10.00 C ATOM 670 CG LYS A 44 -6.238 -9.728 2.571 1.00 10.00 C ATOM 671 CD LYS A 44 -6.111 -10.813 1.483 1.00 10.00 C ATOM 672 CE LYS A 44 -4.675 -10.978 0.946 1.00 10.00 C ATOM 673 NZ LYS A 44 -4.324 -12.385 0.653 1.00 10.00 N ATOM 0 H LYS A 44 -5.039 -7.299 2.620 1.00 10.00 H new ATOM 0 HA LYS A 44 -6.416 -8.160 0.274 1.00 10.00 H new ATOM 0 HB2 LYS A 44 -7.411 -8.003 3.121 1.00 10.00 H new ATOM 0 HB3 LYS A 44 -8.098 -8.943 1.810 1.00 10.00 H new ATOM 0 HG2 LYS A 44 -5.245 -9.335 2.789 1.00 10.00 H new ATOM 0 HG3 LYS A 44 -6.605 -10.194 3.486 1.00 10.00 H new ATOM 0 HD2 LYS A 44 -6.451 -11.766 1.889 1.00 10.00 H new ATOM 0 HD3 LYS A 44 -6.774 -10.565 0.654 1.00 10.00 H new ATOM 0 HE2 LYS A 44 -4.562 -10.385 0.038 1.00 10.00 H new ATOM 0 HE3 LYS A 44 -3.972 -10.579 1.677 1.00 10.00 H new ATOM 0 HZ1 LYS A 44 -3.411 -12.419 0.156 1.00 10.00 H new ATOM 0 HZ2 LYS A 44 -4.253 -12.918 1.543 1.00 10.00 H new ATOM 0 HZ3 LYS A 44 -5.060 -12.809 0.053 1.00 10.00 H new ATOM 687 N SER A 45 -7.442 -5.349 1.684 1.00 10.00 N ATOM 688 CA SER A 45 -8.213 -4.140 1.398 1.00 10.00 C ATOM 689 C SER A 45 -7.677 -3.467 0.138 1.00 10.00 C ATOM 690 O SER A 45 -8.435 -2.989 -0.698 1.00 10.00 O ATOM 691 CB SER A 45 -8.148 -3.151 2.561 1.00 10.00 C ATOM 692 OG SER A 45 -9.399 -2.516 2.728 1.00 10.00 O ATOM 0 H SER A 45 -6.912 -5.314 2.555 1.00 10.00 H new ATOM 0 HA SER A 45 -9.252 -4.435 1.250 1.00 10.00 H new ATOM 0 HB2 SER A 45 -7.871 -3.673 3.477 1.00 10.00 H new ATOM 0 HB3 SER A 45 -7.375 -2.406 2.372 1.00 10.00 H new ATOM 0 HG SER A 45 -9.348 -1.885 3.476 1.00 10.00 H new ATOM 698 N VAL A 46 -6.352 -3.469 -0.017 1.00 10.00 N ATOM 699 CA VAL A 46 -5.702 -2.895 -1.185 1.00 10.00 C ATOM 700 C VAL A 46 -6.221 -3.513 -2.488 1.00 10.00 C ATOM 701 O VAL A 46 -6.586 -2.808 -3.434 1.00 10.00 O ATOM 702 CB VAL A 46 -4.186 -3.036 -1.008 1.00 10.00 C ATOM 703 CG1 VAL A 46 -3.410 -3.115 -2.312 1.00 10.00 C ATOM 704 CG2 VAL A 46 -3.645 -1.873 -0.201 1.00 10.00 C ATOM 0 H VAL A 46 -5.706 -3.868 0.664 1.00 10.00 H new ATOM 0 HA VAL A 46 -5.944 -1.835 -1.266 1.00 10.00 H new ATOM 0 HB VAL A 46 -4.043 -3.984 -0.490 1.00 10.00 H new ATOM 0 HG11 VAL A 46 -2.346 -3.213 -2.097 1.00 10.00 H new ATOM 0 HG12 VAL A 46 -3.746 -3.980 -2.884 1.00 10.00 H new ATOM 0 HG13 VAL A 46 -3.580 -2.208 -2.892 1.00 10.00 H new ATOM 0 HG21 VAL A 46 -2.567 -1.983 -0.081 1.00 10.00 H new ATOM 0 HG22 VAL A 46 -3.859 -0.939 -0.721 1.00 10.00 H new ATOM 0 HG23 VAL A 46 -4.119 -1.859 0.780 1.00 10.00 H new ATOM 714 N LYS A 47 -6.272 -4.844 -2.528 1.00 10.00 N ATOM 715 CA LYS A 47 -6.801 -5.561 -3.682 1.00 10.00 C ATOM 716 C LYS A 47 -8.312 -5.327 -3.860 1.00 10.00 C ATOM 717 O LYS A 47 -8.811 -5.274 -4.979 1.00 10.00 O ATOM 718 CB LYS A 47 -6.350 -7.024 -3.619 1.00 10.00 C ATOM 719 CG LYS A 47 -7.375 -7.996 -3.026 1.00 10.00 C ATOM 720 CD LYS A 47 -6.690 -9.071 -2.177 1.00 10.00 C ATOM 721 CE LYS A 47 -6.350 -10.380 -2.905 1.00 10.00 C ATOM 722 NZ LYS A 47 -5.081 -10.317 -3.669 1.00 10.00 N ATOM 0 H LYS A 47 -5.952 -5.447 -1.770 1.00 10.00 H new ATOM 0 HA LYS A 47 -6.383 -5.160 -4.606 1.00 10.00 H new ATOM 0 HB2 LYS A 47 -6.100 -7.355 -4.627 1.00 10.00 H new ATOM 0 HB3 LYS A 47 -5.435 -7.081 -3.029 1.00 10.00 H new ATOM 0 HG2 LYS A 47 -8.090 -7.446 -2.414 1.00 10.00 H new ATOM 0 HG3 LYS A 47 -7.940 -8.468 -3.830 1.00 10.00 H new ATOM 0 HD2 LYS A 47 -5.769 -8.654 -1.770 1.00 10.00 H new ATOM 0 HD3 LYS A 47 -7.336 -9.305 -1.330 1.00 10.00 H new ATOM 0 HE2 LYS A 47 -6.286 -11.187 -2.175 1.00 10.00 H new ATOM 0 HE3 LYS A 47 -7.163 -10.630 -3.586 1.00 10.00 H new ATOM 0 HZ1 LYS A 47 -5.234 -10.692 -4.627 1.00 10.00 H new ATOM 0 HZ2 LYS A 47 -4.762 -9.329 -3.731 1.00 10.00 H new ATOM 0 HZ3 LYS A 47 -4.356 -10.886 -3.186 1.00 10.00 H new ATOM 736 N THR A 48 -9.032 -5.138 -2.751 1.00 10.00 N ATOM 737 CA THR A 48 -10.462 -4.814 -2.745 1.00 10.00 C ATOM 738 C THR A 48 -10.764 -3.365 -3.150 1.00 10.00 C ATOM 739 O THR A 48 -11.832 -3.111 -3.700 1.00 10.00 O ATOM 740 CB THR A 48 -11.054 -5.128 -1.363 1.00 10.00 C ATOM 741 OG1 THR A 48 -10.981 -6.522 -1.151 1.00 10.00 O ATOM 742 CG2 THR A 48 -12.518 -4.709 -1.208 1.00 10.00 C ATOM 0 H THR A 48 -8.631 -5.207 -1.816 1.00 10.00 H new ATOM 0 HA THR A 48 -10.934 -5.437 -3.504 1.00 10.00 H new ATOM 0 HB THR A 48 -10.473 -4.558 -0.638 1.00 10.00 H new ATOM 0 HG1 THR A 48 -10.096 -6.754 -0.800 1.00 10.00 H new ATOM 0 HG21 THR A 48 -12.865 -4.963 -0.207 1.00 10.00 H new ATOM 0 HG22 THR A 48 -12.607 -3.633 -1.361 1.00 10.00 H new ATOM 0 HG23 THR A 48 -13.126 -5.232 -1.946 1.00 10.00 H new ATOM 750 N GLY A 49 -9.861 -2.410 -2.891 1.00 10.00 N ATOM 751 CA GLY A 49 -10.153 -0.993 -3.055 1.00 10.00 C ATOM 752 C GLY A 49 -10.934 -0.440 -1.862 1.00 10.00 C ATOM 753 O GLY A 49 -12.050 -0.867 -1.574 1.00 10.00 O ATOM 0 H GLY A 49 -8.914 -2.604 -2.564 1.00 10.00 H new ATOM 0 HA2 GLY A 49 -9.221 -0.439 -3.169 1.00 10.00 H new ATOM 0 HA3 GLY A 49 -10.728 -0.842 -3.969 1.00 10.00 H new ATOM 757 N LEU A 50 -10.332 0.522 -1.164 1.00 10.00 N ATOM 758 CA LEU A 50 -10.998 1.345 -0.160 1.00 10.00 C ATOM 759 C LEU A 50 -11.959 2.363 -0.836 1.00 10.00 C ATOM 760 O LEU A 50 -12.571 2.060 -1.855 1.00 10.00 O ATOM 761 CB LEU A 50 -9.897 1.970 0.713 1.00 10.00 C ATOM 762 CG LEU A 50 -10.392 2.368 2.114 1.00 10.00 C ATOM 763 CD1 LEU A 50 -10.211 1.210 3.101 1.00 10.00 C ATOM 764 CD2 LEU A 50 -9.633 3.605 2.609 1.00 10.00 C ATOM 0 H LEU A 50 -9.346 0.755 -1.285 1.00 10.00 H new ATOM 0 HA LEU A 50 -11.648 0.762 0.492 1.00 10.00 H new ATOM 0 HB2 LEU A 50 -9.074 1.262 0.812 1.00 10.00 H new ATOM 0 HB3 LEU A 50 -9.500 2.852 0.210 1.00 10.00 H new ATOM 0 HG LEU A 50 -11.454 2.604 2.050 1.00 10.00 H new ATOM 0 HD11 LEU A 50 -10.567 1.512 4.086 1.00 10.00 H new ATOM 0 HD12 LEU A 50 -10.782 0.347 2.758 1.00 10.00 H new ATOM 0 HD13 LEU A 50 -9.155 0.946 3.162 1.00 10.00 H new ATOM 0 HD21 LEU A 50 -9.991 3.878 3.602 1.00 10.00 H new ATOM 0 HD22 LEU A 50 -8.567 3.383 2.656 1.00 10.00 H new ATOM 0 HD23 LEU A 50 -9.801 4.434 1.922 1.00 10.00 H new ATOM 776 N ASN A 51 -12.123 3.583 -0.301 1.00 10.00 N ATOM 777 CA ASN A 51 -13.103 4.553 -0.830 1.00 10.00 C ATOM 778 C ASN A 51 -12.558 5.278 -2.061 1.00 10.00 C ATOM 779 O ASN A 51 -13.034 5.122 -3.179 1.00 10.00 O ATOM 780 CB ASN A 51 -13.501 5.591 0.236 1.00 10.00 C ATOM 781 CG ASN A 51 -13.831 4.916 1.548 1.00 10.00 C ATOM 782 OD1 ASN A 51 -12.809 4.748 2.374 1.00 10.00 O flip ATOM 783 ND2 ASN A 51 -14.958 4.521 1.807 1.00 10.00 N flip ATOM 0 H ASN A 51 -11.590 3.924 0.499 1.00 10.00 H new ATOM 0 HA ASN A 51 -13.987 3.983 -1.115 1.00 10.00 H new ATOM 0 HB2 ASN A 51 -12.686 6.300 0.382 1.00 10.00 H new ATOM 0 HB3 ASN A 51 -14.362 6.163 -0.110 1.00 10.00 H new ATOM 0 HD21 ASN A 51 -15.717 4.672 1.142 1.00 10.00 H new ATOM 0 HD22 ASN A 51 -15.140 4.041 2.688 1.00 10.00 H new ATOM 790 N ALA A 52 -11.531 6.090 -1.813 1.00 10.00 N ATOM 791 CA ALA A 52 -10.787 6.832 -2.816 1.00 10.00 C ATOM 792 C ALA A 52 -9.822 5.920 -3.585 1.00 10.00 C ATOM 793 O ALA A 52 -9.290 6.309 -4.622 1.00 10.00 O ATOM 794 CB ALA A 52 -10.031 7.934 -2.073 1.00 10.00 C ATOM 0 H ALA A 52 -11.185 6.252 -0.867 1.00 10.00 H new ATOM 0 HA ALA A 52 -11.461 7.256 -3.561 1.00 10.00 H new ATOM 0 HB1 ALA A 52 -9.453 8.523 -2.785 1.00 10.00 H new ATOM 0 HB2 ALA A 52 -10.742 8.581 -1.560 1.00 10.00 H new ATOM 0 HB3 ALA A 52 -9.357 7.485 -1.343 1.00 10.00 H new ATOM 800 N MET A 53 -9.574 4.718 -3.057 1.00 10.00 N ATOM 801 CA MET A 53 -8.613 3.774 -3.611 1.00 10.00 C ATOM 802 C MET A 53 -9.318 2.727 -4.490 1.00 10.00 C ATOM 803 O MET A 53 -10.193 2.019 -3.992 1.00 10.00 O ATOM 804 CB MET A 53 -7.896 3.129 -2.428 1.00 10.00 C ATOM 805 CG MET A 53 -6.407 2.930 -2.678 1.00 10.00 C ATOM 806 SD MET A 53 -5.632 2.532 -1.107 1.00 10.00 S ATOM 807 CE MET A 53 -5.705 0.735 -1.150 1.00 10.00 C ATOM 0 H MET A 53 -10.045 4.373 -2.220 1.00 10.00 H new ATOM 0 HA MET A 53 -7.895 4.278 -4.258 1.00 10.00 H new ATOM 0 HB2 MET A 53 -8.031 3.752 -1.544 1.00 10.00 H new ATOM 0 HB3 MET A 53 -8.356 2.165 -2.212 1.00 10.00 H new ATOM 0 HG2 MET A 53 -6.245 2.128 -3.398 1.00 10.00 H new ATOM 0 HG3 MET A 53 -5.967 3.833 -3.103 1.00 10.00 H new ATOM 0 HE1 MET A 53 -5.377 0.334 -0.191 1.00 10.00 H new ATOM 0 HE2 MET A 53 -6.729 0.417 -1.344 1.00 10.00 H new ATOM 0 HE3 MET A 53 -5.053 0.363 -1.941 1.00 10.00 H new ATOM 817 N PRO A 54 -8.980 2.614 -5.784 1.00 10.00 N ATOM 818 CA PRO A 54 -9.682 1.709 -6.682 1.00 10.00 C ATOM 819 C PRO A 54 -9.362 0.241 -6.358 1.00 10.00 C ATOM 820 O PRO A 54 -8.333 -0.049 -5.744 1.00 10.00 O ATOM 821 CB PRO A 54 -9.247 2.124 -8.092 1.00 10.00 C ATOM 822 CG PRO A 54 -7.862 2.733 -7.883 1.00 10.00 C ATOM 823 CD PRO A 54 -7.924 3.334 -6.478 1.00 10.00 C ATOM 0 HA PRO A 54 -10.765 1.779 -6.580 1.00 10.00 H new ATOM 0 HB2 PRO A 54 -9.210 1.269 -8.767 1.00 10.00 H new ATOM 0 HB3 PRO A 54 -9.939 2.845 -8.528 1.00 10.00 H new ATOM 0 HG2 PRO A 54 -7.079 1.978 -7.959 1.00 10.00 H new ATOM 0 HG3 PRO A 54 -7.644 3.494 -8.632 1.00 10.00 H new ATOM 0 HD2 PRO A 54 -6.970 3.222 -5.962 1.00 10.00 H new ATOM 0 HD3 PRO A 54 -8.140 4.402 -6.519 1.00 10.00 H new ATOM 831 N PRO A 55 -10.242 -0.696 -6.749 1.00 10.00 N ATOM 832 CA PRO A 55 -10.059 -2.116 -6.485 1.00 10.00 C ATOM 833 C PRO A 55 -8.799 -2.625 -7.183 1.00 10.00 C ATOM 834 O PRO A 55 -8.722 -2.560 -8.408 1.00 10.00 O ATOM 835 CB PRO A 55 -11.352 -2.793 -6.962 1.00 10.00 C ATOM 836 CG PRO A 55 -11.925 -1.827 -7.997 1.00 10.00 C ATOM 837 CD PRO A 55 -11.466 -0.457 -7.499 1.00 10.00 C ATOM 0 HA PRO A 55 -9.900 -2.340 -5.430 1.00 10.00 H new ATOM 0 HB2 PRO A 55 -11.151 -3.771 -7.399 1.00 10.00 H new ATOM 0 HB3 PRO A 55 -12.047 -2.950 -6.137 1.00 10.00 H new ATOM 0 HG2 PRO A 55 -11.546 -2.038 -8.997 1.00 10.00 H new ATOM 0 HG3 PRO A 55 -13.012 -1.892 -8.048 1.00 10.00 H new ATOM 0 HD2 PRO A 55 -11.287 0.222 -8.333 1.00 10.00 H new ATOM 0 HD3 PRO A 55 -12.226 0.005 -6.869 1.00 10.00 H new ATOM 845 N GLY A 56 -7.798 -3.094 -6.418 1.00 10.00 N ATOM 846 CA GLY A 56 -6.537 -3.536 -7.000 1.00 10.00 C ATOM 847 C GLY A 56 -5.437 -2.475 -6.926 1.00 10.00 C ATOM 848 O GLY A 56 -4.583 -2.384 -7.810 1.00 10.00 O ATOM 0 H GLY A 56 -7.845 -3.173 -5.402 1.00 10.00 H new ATOM 0 HA2 GLY A 56 -6.201 -4.435 -6.484 1.00 10.00 H new ATOM 0 HA3 GLY A 56 -6.701 -3.809 -8.043 1.00 10.00 H new ATOM 852 N GLY A 57 -5.411 -1.698 -5.836 1.00 10.00 N ATOM 853 CA GLY A 57 -4.435 -0.638 -5.598 1.00 10.00 C ATOM 854 C GLY A 57 -4.331 0.384 -6.741 1.00 10.00 C ATOM 855 O GLY A 57 -4.982 1.424 -6.694 1.00 10.00 O ATOM 0 H GLY A 57 -6.087 -1.795 -5.079 1.00 10.00 H new ATOM 0 HA2 GLY A 57 -4.699 -0.114 -4.679 1.00 10.00 H new ATOM 0 HA3 GLY A 57 -3.456 -1.089 -5.437 1.00 10.00 H new ATOM 859 N MET A 58 -3.491 0.084 -7.741 1.00 10.00 N ATOM 860 CA MET A 58 -3.319 0.808 -8.999 1.00 10.00 C ATOM 861 C MET A 58 -2.393 0.010 -9.955 1.00 10.00 C ATOM 862 O MET A 58 -1.471 0.558 -10.568 1.00 10.00 O ATOM 863 CB MET A 58 -2.780 2.217 -8.701 1.00 10.00 C ATOM 864 CG MET A 58 -3.082 3.180 -9.844 1.00 10.00 C ATOM 865 SD MET A 58 -2.239 4.778 -9.694 1.00 10.00 S ATOM 866 CE MET A 58 -3.508 5.866 -10.362 1.00 10.00 C ATOM 0 H MET A 58 -2.874 -0.726 -7.684 1.00 10.00 H new ATOM 0 HA MET A 58 -4.278 0.916 -9.506 1.00 10.00 H new ATOM 0 HB2 MET A 58 -3.226 2.592 -7.780 1.00 10.00 H new ATOM 0 HB3 MET A 58 -1.703 2.170 -8.538 1.00 10.00 H new ATOM 0 HG2 MET A 58 -2.793 2.714 -10.786 1.00 10.00 H new ATOM 0 HG3 MET A 58 -4.158 3.350 -9.889 1.00 10.00 H new ATOM 0 HE1 MET A 58 -3.151 6.896 -10.343 1.00 10.00 H new ATOM 0 HE2 MET A 58 -3.730 5.578 -11.389 1.00 10.00 H new ATOM 0 HE3 MET A 58 -4.412 5.784 -9.758 1.00 10.00 H new ATOM 876 N CYS A 59 -2.553 -1.319 -9.996 1.00 10.00 N ATOM 877 CA CYS A 59 -1.743 -2.220 -10.823 1.00 10.00 C ATOM 878 C CYS A 59 -2.554 -3.227 -11.653 1.00 10.00 C ATOM 879 O CYS A 59 -3.759 -3.364 -11.469 1.00 10.00 O ATOM 880 CB CYS A 59 -0.647 -2.852 -9.958 1.00 10.00 C ATOM 881 SG CYS A 59 -1.127 -3.382 -8.296 1.00 10.00 S ATOM 0 H CYS A 59 -3.261 -1.805 -9.446 1.00 10.00 H new ATOM 0 HA CYS A 59 -1.262 -1.622 -11.598 1.00 10.00 H new ATOM 0 HB2 CYS A 59 -0.251 -3.717 -10.490 1.00 10.00 H new ATOM 0 HB3 CYS A 59 0.168 -2.135 -9.864 1.00 10.00 H new ATOM 886 N THR A 60 -1.866 -3.933 -12.560 1.00 10.00 N ATOM 887 CA THR A 60 -2.426 -5.003 -13.392 1.00 10.00 C ATOM 888 C THR A 60 -2.466 -6.319 -12.598 1.00 10.00 C ATOM 889 O THR A 60 -3.342 -6.510 -11.756 1.00 10.00 O ATOM 890 CB THR A 60 -1.628 -5.095 -14.711 1.00 10.00 C ATOM 891 OG1 THR A 60 -1.636 -3.831 -15.338 1.00 10.00 O ATOM 892 CG2 THR A 60 -2.212 -6.109 -15.700 1.00 10.00 C ATOM 0 H THR A 60 -0.875 -3.770 -12.739 1.00 10.00 H new ATOM 0 HA THR A 60 -3.458 -4.783 -13.664 1.00 10.00 H new ATOM 0 HB THR A 60 -0.622 -5.422 -14.448 1.00 10.00 H new ATOM 0 HG1 THR A 60 -1.130 -3.878 -16.176 1.00 10.00 H new ATOM 0 HG21 THR A 60 -1.605 -6.125 -16.605 1.00 10.00 H new ATOM 0 HG22 THR A 60 -2.213 -7.100 -15.247 1.00 10.00 H new ATOM 0 HG23 THR A 60 -3.233 -5.824 -15.953 1.00 10.00 H new ATOM 900 N ASP A 61 -1.489 -7.212 -12.789 1.00 10.00 N ATOM 901 CA ASP A 61 -1.421 -8.490 -12.098 1.00 10.00 C ATOM 902 C ASP A 61 -0.799 -8.288 -10.713 1.00 10.00 C ATOM 903 O ASP A 61 0.282 -8.785 -10.416 1.00 10.00 O ATOM 904 CB ASP A 61 -0.636 -9.487 -12.966 1.00 10.00 C ATOM 905 CG ASP A 61 -1.347 -9.872 -14.252 1.00 10.00 C ATOM 906 OD1 ASP A 61 -2.589 -9.749 -14.293 1.00 10.00 O ATOM 907 OD2 ASP A 61 -0.620 -10.284 -15.180 1.00 10.00 O ATOM 0 H ASP A 61 -0.717 -7.059 -13.438 1.00 10.00 H new ATOM 0 HA ASP A 61 -2.417 -8.905 -11.943 1.00 10.00 H new ATOM 0 HB2 ASP A 61 0.333 -9.054 -13.213 1.00 10.00 H new ATOM 0 HB3 ASP A 61 -0.444 -10.388 -12.384 1.00 10.00 H new ATOM 912 N CYS A 62 -1.485 -7.532 -9.857 1.00 10.00 N ATOM 913 CA CYS A 62 -1.056 -7.317 -8.476 1.00 10.00 C ATOM 914 C CYS A 62 -0.986 -8.647 -7.691 1.00 10.00 C ATOM 915 O CYS A 62 -1.931 -9.034 -7.002 1.00 10.00 O ATOM 916 CB CYS A 62 -1.979 -6.329 -7.762 1.00 10.00 C ATOM 917 SG CYS A 62 -2.604 -4.850 -8.593 1.00 10.00 S ATOM 0 H CYS A 62 -2.352 -7.052 -10.100 1.00 10.00 H new ATOM 0 HA CYS A 62 -0.053 -6.892 -8.511 1.00 10.00 H new ATOM 0 HB2 CYS A 62 -2.848 -6.894 -7.425 1.00 10.00 H new ATOM 0 HB3 CYS A 62 -1.452 -5.992 -6.869 1.00 10.00 H new ATOM 922 N THR A 63 0.137 -9.357 -7.767 1.00 10.00 N ATOM 923 CA THR A 63 0.348 -10.642 -7.121 1.00 10.00 C ATOM 924 C THR A 63 0.639 -10.391 -5.647 1.00 10.00 C ATOM 925 O THR A 63 1.473 -9.550 -5.334 1.00 10.00 O ATOM 926 CB THR A 63 1.569 -11.308 -7.780 1.00 10.00 C ATOM 927 OG1 THR A 63 2.556 -10.313 -7.957 1.00 10.00 O ATOM 928 CG2 THR A 63 1.212 -11.899 -9.145 1.00 10.00 C ATOM 0 H THR A 63 0.949 -9.040 -8.298 1.00 10.00 H new ATOM 0 HA THR A 63 -0.527 -11.284 -7.220 1.00 10.00 H new ATOM 0 HB THR A 63 1.923 -12.119 -7.143 1.00 10.00 H new ATOM 0 HG1 THR A 63 3.349 -10.709 -8.375 1.00 10.00 H new ATOM 0 HG21 THR A 63 2.096 -12.362 -9.584 1.00 10.00 H new ATOM 0 HG22 THR A 63 0.432 -12.650 -9.023 1.00 10.00 H new ATOM 0 HG23 THR A 63 0.853 -11.107 -9.802 1.00 10.00 H new ATOM 936 N ASP A 64 -0.013 -11.110 -4.730 1.00 10.00 N ATOM 937 CA ASP A 64 0.208 -10.991 -3.292 1.00 10.00 C ATOM 938 C ASP A 64 1.709 -10.988 -2.922 1.00 10.00 C ATOM 939 O ASP A 64 2.096 -10.290 -1.994 1.00 10.00 O ATOM 940 CB ASP A 64 -0.593 -12.099 -2.607 1.00 10.00 C ATOM 941 CG ASP A 64 -2.040 -11.726 -2.271 1.00 10.00 C ATOM 942 OD1 ASP A 64 -2.699 -11.020 -3.069 1.00 10.00 O ATOM 943 OD2 ASP A 64 -2.512 -12.161 -1.197 1.00 10.00 O ATOM 0 H ASP A 64 -0.721 -11.803 -4.973 1.00 10.00 H new ATOM 0 HA ASP A 64 -0.147 -10.025 -2.934 1.00 10.00 H new ATOM 0 HB2 ASP A 64 -0.599 -12.977 -3.253 1.00 10.00 H new ATOM 0 HB3 ASP A 64 -0.082 -12.383 -1.687 1.00 10.00 H new ATOM 948 N GLU A 65 2.559 -11.694 -3.677 1.00 10.00 N ATOM 949 CA GLU A 65 4.022 -11.576 -3.645 1.00 10.00 C ATOM 950 C GLU A 65 4.539 -10.131 -3.821 1.00 10.00 C ATOM 951 O GLU A 65 5.209 -9.592 -2.935 1.00 10.00 O ATOM 952 CB GLU A 65 4.606 -12.496 -4.727 1.00 10.00 C ATOM 953 CG GLU A 65 4.479 -13.978 -4.333 1.00 10.00 C ATOM 954 CD GLU A 65 5.511 -14.394 -3.285 1.00 10.00 C ATOM 955 OE1 GLU A 65 6.605 -14.817 -3.712 1.00 10.00 O ATOM 956 OE2 GLU A 65 5.191 -14.276 -2.081 1.00 10.00 O ATOM 0 H GLU A 65 2.236 -12.388 -4.351 1.00 10.00 H new ATOM 0 HA GLU A 65 4.355 -11.878 -2.652 1.00 10.00 H new ATOM 0 HB2 GLU A 65 4.089 -12.323 -5.671 1.00 10.00 H new ATOM 0 HB3 GLU A 65 5.655 -12.250 -4.888 1.00 10.00 H new ATOM 0 HG2 GLU A 65 3.477 -14.163 -3.946 1.00 10.00 H new ATOM 0 HG3 GLU A 65 4.597 -14.599 -5.221 1.00 10.00 H new ATOM 963 N ASP A 66 4.220 -9.479 -4.942 1.00 10.00 N ATOM 964 CA ASP A 66 4.728 -8.151 -5.251 1.00 10.00 C ATOM 965 C ASP A 66 3.998 -7.149 -4.359 1.00 10.00 C ATOM 966 O ASP A 66 4.601 -6.205 -3.855 1.00 10.00 O ATOM 967 CB ASP A 66 4.531 -7.835 -6.747 1.00 10.00 C ATOM 968 CG ASP A 66 5.172 -8.814 -7.724 1.00 10.00 C ATOM 969 OD1 ASP A 66 5.741 -9.829 -7.274 1.00 10.00 O ATOM 970 OD2 ASP A 66 5.048 -8.531 -8.933 1.00 10.00 O ATOM 0 H ASP A 66 3.602 -9.862 -5.657 1.00 10.00 H new ATOM 0 HA ASP A 66 5.799 -8.093 -5.056 1.00 10.00 H new ATOM 0 HB2 ASP A 66 3.461 -7.795 -6.952 1.00 10.00 H new ATOM 0 HB3 ASP A 66 4.931 -6.840 -6.944 1.00 10.00 H new ATOM 975 N TYR A 67 2.708 -7.394 -4.097 1.00 10.00 N ATOM 976 CA TYR A 67 1.933 -6.624 -3.149 1.00 10.00 C ATOM 977 C TYR A 67 2.597 -6.622 -1.767 1.00 10.00 C ATOM 978 O TYR A 67 2.956 -5.557 -1.283 1.00 10.00 O ATOM 979 CB TYR A 67 0.508 -7.190 -3.084 1.00 10.00 C ATOM 980 CG TYR A 67 -0.611 -6.430 -3.768 1.00 10.00 C ATOM 981 CD1 TYR A 67 -0.599 -5.024 -3.863 1.00 10.00 C ATOM 982 CD2 TYR A 67 -1.754 -7.144 -4.176 1.00 10.00 C ATOM 983 CE1 TYR A 67 -1.647 -4.362 -4.517 1.00 10.00 C ATOM 984 CE2 TYR A 67 -2.868 -6.458 -4.682 1.00 10.00 C ATOM 985 CZ TYR A 67 -2.794 -5.075 -4.894 1.00 10.00 C ATOM 986 OH TYR A 67 -3.856 -4.409 -5.405 1.00 10.00 O ATOM 0 H TYR A 67 2.179 -8.141 -4.547 1.00 10.00 H new ATOM 0 HA TYR A 67 1.887 -5.587 -3.481 1.00 10.00 H new ATOM 0 HB2 TYR A 67 0.532 -8.194 -3.507 1.00 10.00 H new ATOM 0 HB3 TYR A 67 0.242 -7.294 -2.032 1.00 10.00 H new ATOM 0 HD1 TYR A 67 0.215 -4.459 -3.433 1.00 10.00 H new ATOM 0 HD2 TYR A 67 -1.773 -8.221 -4.099 1.00 10.00 H new ATOM 0 HE1 TYR A 67 -1.571 -3.306 -4.730 1.00 10.00 H new ATOM 0 HE2 TYR A 67 -3.779 -6.993 -4.907 1.00 10.00 H new ATOM 0 HH TYR A 67 -3.853 -4.489 -6.382 1.00 10.00 H new ATOM 996 N LYS A 68 2.788 -7.785 -1.135 1.00 10.00 N ATOM 997 CA LYS A 68 3.352 -7.911 0.210 1.00 10.00 C ATOM 998 C LYS A 68 4.733 -7.272 0.254 1.00 10.00 C ATOM 999 O LYS A 68 4.988 -6.418 1.097 1.00 10.00 O ATOM 1000 CB LYS A 68 3.346 -9.354 0.750 1.00 10.00 C ATOM 1001 CG LYS A 68 4.413 -10.282 0.147 1.00 10.00 C ATOM 1002 CD LYS A 68 4.314 -11.714 0.680 1.00 10.00 C ATOM 1003 CE LYS A 68 5.093 -11.852 1.993 1.00 10.00 C ATOM 1004 NZ LYS A 68 4.902 -13.195 2.574 1.00 10.00 N ATOM 0 H LYS A 68 2.549 -8.683 -1.555 1.00 10.00 H new ATOM 0 HA LYS A 68 2.698 -7.367 0.891 1.00 10.00 H new ATOM 0 HB2 LYS A 68 3.484 -9.321 1.831 1.00 10.00 H new ATOM 0 HB3 LYS A 68 2.363 -9.789 0.568 1.00 10.00 H new ATOM 0 HG2 LYS A 68 4.309 -10.294 -0.938 1.00 10.00 H new ATOM 0 HG3 LYS A 68 5.403 -9.883 0.368 1.00 10.00 H new ATOM 0 HD2 LYS A 68 3.269 -11.977 0.841 1.00 10.00 H new ATOM 0 HD3 LYS A 68 4.708 -12.412 -0.059 1.00 10.00 H new ATOM 0 HE2 LYS A 68 6.153 -11.676 1.813 1.00 10.00 H new ATOM 0 HE3 LYS A 68 4.760 -11.093 2.701 1.00 10.00 H new ATOM 0 HZ1 LYS A 68 5.438 -13.268 3.462 1.00 10.00 H new ATOM 0 HZ2 LYS A 68 3.892 -13.350 2.765 1.00 10.00 H new ATOM 0 HZ3 LYS A 68 5.242 -13.914 1.904 1.00 10.00 H new ATOM 1018 N ALA A 69 5.585 -7.603 -0.721 1.00 10.00 N ATOM 1019 CA ALA A 69 6.871 -6.948 -0.893 1.00 10.00 C ATOM 1020 C ALA A 69 6.748 -5.414 -1.018 1.00 10.00 C ATOM 1021 O ALA A 69 7.702 -4.697 -0.735 1.00 10.00 O ATOM 1022 CB ALA A 69 7.592 -7.595 -2.078 1.00 10.00 C ATOM 0 H ALA A 69 5.397 -8.332 -1.409 1.00 10.00 H new ATOM 0 HA ALA A 69 7.472 -7.094 0.004 1.00 10.00 H new ATOM 0 HB1 ALA A 69 8.560 -7.115 -2.221 1.00 10.00 H new ATOM 0 HB2 ALA A 69 7.739 -8.656 -1.879 1.00 10.00 H new ATOM 0 HB3 ALA A 69 6.991 -7.475 -2.979 1.00 10.00 H new ATOM 1028 N ALA A 70 5.578 -4.891 -1.409 1.00 10.00 N ATOM 1029 CA ALA A 70 5.347 -3.469 -1.673 1.00 10.00 C ATOM 1030 C ALA A 70 4.625 -2.742 -0.545 1.00 10.00 C ATOM 1031 O ALA A 70 4.558 -1.522 -0.577 1.00 10.00 O ATOM 1032 CB ALA A 70 4.586 -3.300 -2.984 1.00 10.00 C ATOM 0 H ALA A 70 4.746 -5.463 -1.554 1.00 10.00 H new ATOM 0 HA ALA A 70 6.331 -3.006 -1.747 1.00 10.00 H new ATOM 0 HB1 ALA A 70 4.418 -2.240 -3.173 1.00 10.00 H new ATOM 0 HB2 ALA A 70 5.169 -3.726 -3.801 1.00 10.00 H new ATOM 0 HB3 ALA A 70 3.627 -3.813 -2.916 1.00 10.00 H new ATOM 1038 N ILE A 71 4.103 -3.461 0.450 1.00 10.00 N ATOM 1039 CA ILE A 71 3.627 -2.890 1.706 1.00 10.00 C ATOM 1040 C ILE A 71 4.693 -3.075 2.800 1.00 10.00 C ATOM 1041 O ILE A 71 4.954 -2.180 3.610 1.00 10.00 O ATOM 1042 CB ILE A 71 2.243 -3.486 2.027 1.00 10.00 C ATOM 1043 CG1 ILE A 71 1.808 -3.241 3.461 1.00 10.00 C ATOM 1044 CG2 ILE A 71 2.112 -4.980 1.791 1.00 10.00 C ATOM 1045 CD1 ILE A 71 2.172 -4.361 4.440 1.00 10.00 C ATOM 0 H ILE A 71 3.998 -4.474 0.402 1.00 10.00 H new ATOM 0 HA ILE A 71 3.482 -1.812 1.635 1.00 10.00 H new ATOM 0 HB ILE A 71 1.604 -2.956 1.321 1.00 10.00 H new ATOM 0 HG12 ILE A 71 2.259 -2.312 3.809 1.00 10.00 H new ATOM 0 HG13 ILE A 71 0.728 -3.098 3.479 1.00 10.00 H new ATOM 0 HG21 ILE A 71 1.102 -5.302 2.046 1.00 10.00 H new ATOM 0 HG22 ILE A 71 2.309 -5.201 0.742 1.00 10.00 H new ATOM 0 HG23 ILE A 71 2.831 -5.511 2.415 1.00 10.00 H new ATOM 0 HD11 ILE A 71 1.822 -4.099 5.439 1.00 10.00 H new ATOM 0 HD12 ILE A 71 1.699 -5.290 4.122 1.00 10.00 H new ATOM 0 HD13 ILE A 71 3.254 -4.492 4.457 1.00 10.00 H new ATOM 1057 N GLU A 72 5.359 -4.234 2.795 1.00 10.00 N ATOM 1058 CA GLU A 72 6.459 -4.530 3.706 1.00 10.00 C ATOM 1059 C GLU A 72 7.602 -3.520 3.561 1.00 10.00 C ATOM 1060 O GLU A 72 8.133 -3.061 4.572 1.00 10.00 O ATOM 1061 CB GLU A 72 6.874 -6.007 3.634 1.00 10.00 C ATOM 1062 CG GLU A 72 7.860 -6.336 2.504 1.00 10.00 C ATOM 1063 CD GLU A 72 9.322 -6.132 2.882 1.00 10.00 C ATOM 1064 OE1 GLU A 72 9.735 -6.771 3.874 1.00 10.00 O ATOM 1065 OE2 GLU A 72 9.990 -5.358 2.167 1.00 10.00 O ATOM 0 H GLU A 72 5.145 -4.996 2.152 1.00 10.00 H new ATOM 0 HA GLU A 72 6.109 -4.397 4.730 1.00 10.00 H new ATOM 0 HB2 GLU A 72 7.323 -6.292 4.585 1.00 10.00 H new ATOM 0 HB3 GLU A 72 5.980 -6.617 3.508 1.00 10.00 H new ATOM 0 HG2 GLU A 72 7.715 -7.372 2.199 1.00 10.00 H new ATOM 0 HG3 GLU A 72 7.628 -5.714 1.640 1.00 10.00 H new ATOM 1072 N PHE A 73 7.878 -3.093 2.320 1.00 10.00 N ATOM 1073 CA PHE A 73 8.877 -2.074 2.010 1.00 10.00 C ATOM 1074 C PHE A 73 8.716 -0.814 2.871 1.00 10.00 C ATOM 1075 O PHE A 73 9.702 -0.205 3.284 1.00 10.00 O ATOM 1076 CB PHE A 73 8.795 -1.729 0.518 1.00 10.00 C ATOM 1077 CG PHE A 73 9.935 -0.866 0.014 1.00 10.00 C ATOM 1078 CD1 PHE A 73 9.891 0.534 0.154 1.00 10.00 C ATOM 1079 CD2 PHE A 73 11.054 -1.475 -0.582 1.00 10.00 C ATOM 1080 CE1 PHE A 73 10.962 1.321 -0.309 1.00 10.00 C ATOM 1081 CE2 PHE A 73 12.106 -0.686 -1.078 1.00 10.00 C ATOM 1082 CZ PHE A 73 12.054 0.714 -0.954 1.00 10.00 C ATOM 0 H PHE A 73 7.402 -3.456 1.494 1.00 10.00 H new ATOM 0 HA PHE A 73 9.861 -2.481 2.243 1.00 10.00 H new ATOM 0 HB2 PHE A 73 8.774 -2.655 -0.057 1.00 10.00 H new ATOM 0 HB3 PHE A 73 7.853 -1.214 0.327 1.00 10.00 H new ATOM 0 HD1 PHE A 73 9.036 1.004 0.617 1.00 10.00 H new ATOM 0 HD2 PHE A 73 11.105 -2.551 -0.659 1.00 10.00 H new ATOM 0 HE1 PHE A 73 10.945 2.392 -0.169 1.00 10.00 H new ATOM 0 HE2 PHE A 73 12.954 -1.155 -1.554 1.00 10.00 H new ATOM 0 HZ PHE A 73 12.852 1.322 -1.354 1.00 10.00 H new ATOM 1092 N MET A 74 7.467 -0.410 3.133 1.00 10.00 N ATOM 1093 CA MET A 74 7.176 0.755 3.950 1.00 10.00 C ATOM 1094 C MET A 74 7.297 0.451 5.446 1.00 10.00 C ATOM 1095 O MET A 74 8.141 1.036 6.120 1.00 10.00 O ATOM 1096 CB MET A 74 5.785 1.293 3.613 1.00 10.00 C ATOM 1097 CG MET A 74 5.741 1.968 2.237 1.00 10.00 C ATOM 1098 SD MET A 74 5.502 0.918 0.794 1.00 10.00 S ATOM 1099 CE MET A 74 3.753 1.214 0.416 1.00 10.00 C ATOM 0 H MET A 74 6.637 -0.887 2.781 1.00 10.00 H new ATOM 0 HA MET A 74 7.919 1.519 3.721 1.00 10.00 H new ATOM 0 HB2 MET A 74 5.065 0.475 3.637 1.00 10.00 H new ATOM 0 HB3 MET A 74 5.480 2.009 4.376 1.00 10.00 H new ATOM 0 HG2 MET A 74 4.938 2.705 2.251 1.00 10.00 H new ATOM 0 HG3 MET A 74 6.674 2.515 2.102 1.00 10.00 H new ATOM 0 HE1 MET A 74 3.531 0.852 -0.588 1.00 10.00 H new ATOM 0 HE2 MET A 74 3.130 0.686 1.138 1.00 10.00 H new ATOM 0 HE3 MET A 74 3.545 2.283 0.470 1.00 10.00 H new ATOM 1109 N SER A 75 6.434 -0.422 5.986 1.00 10.00 N ATOM 1110 CA SER A 75 6.519 -0.729 7.424 1.00 10.00 C ATOM 1111 C SER A 75 5.750 -1.990 7.809 1.00 10.00 C ATOM 1112 O SER A 75 5.274 -2.111 8.935 1.00 10.00 O ATOM 1113 CB SER A 75 6.066 0.472 8.281 1.00 10.00 C ATOM 1114 OG SER A 75 6.725 0.458 9.534 1.00 10.00 O ATOM 0 H SER A 75 5.698 -0.911 5.476 1.00 10.00 H new ATOM 0 HA SER A 75 7.571 -0.926 7.632 1.00 10.00 H new ATOM 0 HB2 SER A 75 6.284 1.403 7.758 1.00 10.00 H new ATOM 0 HB3 SER A 75 4.987 0.435 8.430 1.00 10.00 H new ATOM 0 HG SER A 75 6.430 1.226 10.067 1.00 10.00 H new ATOM 1120 N LYS A 76 5.605 -2.935 6.873 1.00 10.00 N ATOM 1121 CA LYS A 76 4.820 -4.154 7.063 1.00 10.00 C ATOM 1122 C LYS A 76 3.509 -3.915 7.832 1.00 10.00 C ATOM 1123 O LYS A 76 3.160 -4.667 8.740 1.00 10.00 O ATOM 1124 CB LYS A 76 5.720 -5.298 7.569 1.00 10.00 C ATOM 1125 CG LYS A 76 6.693 -4.902 8.685 1.00 10.00 C ATOM 1126 CD LYS A 76 7.617 -6.059 9.084 1.00 10.00 C ATOM 1127 CE LYS A 76 6.851 -7.196 9.771 1.00 10.00 C ATOM 1128 NZ LYS A 76 7.775 -8.097 10.490 1.00 10.00 N ATOM 0 H LYS A 76 6.036 -2.871 5.951 1.00 10.00 H new ATOM 0 HA LYS A 76 4.448 -4.495 6.097 1.00 10.00 H new ATOM 0 HB2 LYS A 76 5.086 -6.108 7.929 1.00 10.00 H new ATOM 0 HB3 LYS A 76 6.293 -5.690 6.729 1.00 10.00 H new ATOM 0 HG2 LYS A 76 7.295 -4.055 8.356 1.00 10.00 H new ATOM 0 HG3 LYS A 76 6.128 -4.572 9.557 1.00 10.00 H new ATOM 0 HD2 LYS A 76 8.119 -6.445 8.197 1.00 10.00 H new ATOM 0 HD3 LYS A 76 8.393 -5.689 9.754 1.00 10.00 H new ATOM 0 HE2 LYS A 76 6.125 -6.780 10.470 1.00 10.00 H new ATOM 0 HE3 LYS A 76 6.290 -7.762 9.028 1.00 10.00 H new ATOM 0 HZ1 LYS A 76 7.233 -8.858 10.946 1.00 10.00 H new ATOM 0 HZ2 LYS A 76 8.452 -8.510 9.817 1.00 10.00 H new ATOM 0 HZ3 LYS A 76 8.292 -7.558 11.214 1.00 10.00 H new ATOM 1142 N ALA A 77 2.782 -2.866 7.415 1.00 10.00 N ATOM 1143 CA ALA A 77 1.444 -2.533 7.896 1.00 10.00 C ATOM 1144 C ALA A 77 0.445 -2.220 6.763 1.00 10.00 C ATOM 1145 O ALA A 77 -0.315 -3.100 6.370 1.00 10.00 O ATOM 1146 CB ALA A 77 1.536 -1.428 8.952 1.00 10.00 C ATOM 0 H ALA A 77 3.125 -2.211 6.713 1.00 10.00 H new ATOM 0 HA ALA A 77 1.026 -3.420 8.372 1.00 10.00 H new ATOM 0 HB1 ALA A 77 0.536 -1.182 9.309 1.00 10.00 H new ATOM 0 HB2 ALA A 77 2.145 -1.773 9.788 1.00 10.00 H new ATOM 0 HB3 ALA A 77 1.993 -0.541 8.512 1.00 10.00 H new ATOM 1152 N LYS A 78 0.421 -0.972 6.279 1.00 10.00 N ATOM 1153 CA LYS A 78 -0.647 -0.394 5.451 1.00 10.00 C ATOM 1154 C LYS A 78 -0.220 0.071 4.030 1.00 10.00 C ATOM 1155 O LYS A 78 -0.482 1.247 3.685 1.00 10.00 O ATOM 1156 CB LYS A 78 -1.299 0.749 6.250 1.00 10.00 C ATOM 1157 CG LYS A 78 -0.312 1.906 6.452 1.00 10.00 C ATOM 1158 CD LYS A 78 -0.830 3.259 5.947 1.00 10.00 C ATOM 1159 CE LYS A 78 -1.328 4.136 7.096 1.00 10.00 C ATOM 1160 NZ LYS A 78 -2.771 4.419 7.029 1.00 10.00 N ATOM 1161 OXT LYS A 78 0.294 -0.769 3.267 1.00 10.00 O ATOM 0 H LYS A 78 1.175 -0.310 6.460 1.00 10.00 H new ATOM 0 HA LYS A 78 -1.359 -1.193 5.243 1.00 10.00 H new ATOM 0 HB2 LYS A 78 -2.184 1.108 5.724 1.00 10.00 H new ATOM 0 HB3 LYS A 78 -1.633 0.377 7.219 1.00 10.00 H new ATOM 0 HG2 LYS A 78 -0.078 1.990 7.513 1.00 10.00 H new ATOM 0 HG3 LYS A 78 0.620 1.670 5.938 1.00 10.00 H new ATOM 0 HD2 LYS A 78 -0.034 3.777 5.412 1.00 10.00 H new ATOM 0 HD3 LYS A 78 -1.639 3.097 5.235 1.00 10.00 H new ATOM 0 HE2 LYS A 78 -1.105 3.644 8.043 1.00 10.00 H new ATOM 0 HE3 LYS A 78 -0.779 5.078 7.089 1.00 10.00 H new ATOM 0 HZ1 LYS A 78 -2.977 5.297 7.547 1.00 10.00 H new ATOM 0 HZ2 LYS A 78 -3.058 4.527 6.035 1.00 10.00 H new ATOM 0 HZ3 LYS A 78 -3.299 3.633 7.458 1.00 10.00 H new TER 1175 LYS A 78 HETATM 1176 FE HEC A 90 -3.535 3.582 -0.776 1.00 10.00 FE HETATM 1177 CHA HEC A 90 -5.252 4.074 2.239 1.00 10.00 C HETATM 1178 CHB HEC A 90 -2.001 0.810 0.486 1.00 10.00 C HETATM 1179 CHC HEC A 90 -2.237 3.006 -3.914 1.00 10.00 C HETATM 1180 CHD HEC A 90 -4.911 6.605 -1.936 1.00 10.00 C HETATM 1181 NA HEC A 90 -3.633 2.598 1.032 1.00 10.00 N HETATM 1182 C1A HEC A 90 -4.423 2.953 2.093 1.00 10.00 C HETATM 1183 C2A HEC A 90 -4.261 1.924 3.089 1.00 10.00 C HETATM 1184 C3A HEC A 90 -3.389 0.990 2.577 1.00 10.00 C HETATM 1185 C4A HEC A 90 -2.936 1.465 1.297 1.00 10.00 C HETATM 1186 CMA HEC A 90 -3.156 -0.390 3.118 1.00 10.00 C HETATM 1187 CAA HEC A 90 -5.003 1.826 4.400 1.00 10.00 C HETATM 1188 CBA HEC A 90 -6.478 1.436 4.239 1.00 10.00 C HETATM 1189 CGA HEC A 90 -6.675 0.141 3.460 1.00 10.00 C HETATM 1190 O1A HEC A 90 -6.643 0.207 2.213 1.00 10.00 O HETATM 1191 O2A HEC A 90 -6.905 -0.884 4.135 1.00 10.00 O HETATM 1192 NB HEC A 90 -2.352 2.149 -1.576 1.00 10.00 N HETATM 1193 C1B HEC A 90 -1.778 1.147 -0.852 1.00 10.00 C HETATM 1194 C2B HEC A 90 -0.866 0.448 -1.725 1.00 10.00 C HETATM 1195 C3B HEC A 90 -0.974 1.028 -2.976 1.00 10.00 C HETATM 1196 C4B HEC A 90 -1.917 2.121 -2.869 1.00 10.00 C HETATM 1197 CMB HEC A 90 0.063 -0.675 -1.292 1.00 10.00 C HETATM 1198 CAB HEC A 90 -0.094 0.749 -4.176 1.00 10.00 C HETATM 1199 CBB HEC A 90 -0.212 -0.683 -4.718 1.00 10.00 C HETATM 1200 NC HEC A 90 -3.569 4.623 -2.609 1.00 10.00 N HETATM 1201 C1C HEC A 90 -2.991 4.170 -3.752 1.00 10.00 C HETATM 1202 C2C HEC A 90 -3.258 5.144 -4.791 1.00 10.00 C HETATM 1203 C3C HEC A 90 -4.014 6.153 -4.227 1.00 10.00 C HETATM 1204 C4C HEC A 90 -4.187 5.821 -2.833 1.00 10.00 C HETATM 1205 CMC HEC A 90 -2.778 5.085 -6.223 1.00 10.00 C HETATM 1206 CAC HEC A 90 -4.635 7.366 -4.911 1.00 10.00 C HETATM 1207 CBC HEC A 90 -5.088 7.143 -6.354 1.00 10.00 C HETATM 1208 ND HEC A 90 -4.787 5.128 0.046 1.00 10.00 N HETATM 1209 C1D HEC A 90 -5.196 6.230 -0.632 1.00 10.00 C HETATM 1210 C2D HEC A 90 -6.077 6.973 0.230 1.00 10.00 C HETATM 1211 C3D HEC A 90 -6.228 6.245 1.387 1.00 10.00 C HETATM 1212 C4D HEC A 90 -5.377 5.079 1.276 1.00 10.00 C HETATM 1213 CMD HEC A 90 -6.786 8.257 -0.129 1.00 10.00 C HETATM 1214 CAD HEC A 90 -7.226 6.555 2.477 1.00 10.00 C HETATM 1215 CBD HEC A 90 -6.821 7.720 3.382 1.00 10.00 C HETATM 1216 CGD HEC A 90 -7.942 8.003 4.367 1.00 10.00 C HETATM 1217 O1D HEC A 90 -7.874 7.426 5.472 1.00 10.00 O HETATM 1218 O2D HEC A 90 -8.867 8.744 3.970 1.00 10.00 O HETATM 0 HMD3 HEC A 90 -6.050 9.022 -0.378 1.00 10.00 H new HETATM 0 HMD2 HEC A 90 -7.436 8.086 -0.987 1.00 10.00 H new HETATM 0 HMD1 HEC A 90 -7.385 8.591 0.718 1.00 10.00 H new HETATM 0 HMC3 HEC A 90 -1.688 5.072 -6.241 1.00 10.00 H new HETATM 0 HMC2 HEC A 90 -3.160 4.181 -6.698 1.00 10.00 H new HETATM 0 HMC1 HEC A 90 -3.139 5.959 -6.764 1.00 10.00 H new HETATM 0 HMB3 HEC A 90 0.742 -0.309 -0.522 1.00 10.00 H new HETATM 0 HMB2 HEC A 90 -0.526 -1.501 -0.893 1.00 10.00 H new HETATM 0 HMB1 HEC A 90 0.639 -1.022 -2.150 1.00 10.00 H new HETATM 0 HMA3 HEC A 90 -2.798 -0.322 4.145 1.00 10.00 H new HETATM 0 HMA2 HEC A 90 -4.090 -0.952 3.095 1.00 10.00 H new HETATM 0 HMA1 HEC A 90 -2.411 -0.899 2.507 1.00 10.00 H new HETATM 0 HBD2 HEC A 90 -5.903 7.477 3.918 1.00 10.00 H new HETATM 0 HBD1 HEC A 90 -6.615 8.607 2.783 1.00 10.00 H new HETATM 0 HBC3 HEC A 90 -4.233 6.850 -6.963 1.00 10.00 H new HETATM 0 HBC2 HEC A 90 -5.840 6.355 -6.382 1.00 10.00 H new HETATM 0 HBC1 HEC A 90 -5.515 8.065 -6.748 1.00 10.00 H new HETATM 0 HBB3 HEC A 90 0.072 -1.391 -3.940 1.00 10.00 H new HETATM 0 HBB2 HEC A 90 -1.241 -0.873 -5.023 1.00 10.00 H new HETATM 0 HBB1 HEC A 90 0.449 -0.803 -5.576 1.00 10.00 H new HETATM 0 HBA2 HEC A 90 -6.929 1.331 5.226 1.00 10.00 H new HETATM 0 HBA1 HEC A 90 -7.007 2.242 3.731 1.00 10.00 H new HETATM 0 HAD2 HEC A 90 -8.189 6.782 2.019 1.00 10.00 H new HETATM 0 HAD1 HEC A 90 -7.367 5.665 3.090 1.00 10.00 H new HETATM 0 HAA2 HEC A 90 -4.508 1.091 5.035 1.00 10.00 H new HETATM 0 HAA1 HEC A 90 -4.943 2.785 4.915 1.00 10.00 H new HETATM 0 HHD HEC A 90 -5.276 7.573 -2.281 1.00 10.00 H new HETATM 0 HHC HEC A 90 -1.873 2.768 -4.914 1.00 10.00 H new HETATM 0 HHB HEC A 90 -1.418 -0.003 0.920 1.00 10.00 H new HETATM 0 HHA HEC A 90 -5.833 4.167 3.157 1.00 10.00 H new HETATM 0 H2D HEC A 90 -9.554 8.811 4.666 1.00 10.00 H new HETATM 0 H2A HEC A 90 -7.849 -0.898 4.396 1.00 10.00 H new