USER MOD reduce.3.24.130724 H: found=0, std=0, add=456, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 456 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -134:sc= -0.0261 (180deg=-0.642) USER MOD Single : A 2 LYS NZ :NH3+ -164:sc= -0.616 (180deg=-0.971) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 ASN : amide:sc= -0.595 K(o=-0.59,f=-1.6) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= 0.762 K(o=0.76,f=-4.2!) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0.23 USER MOD Single : A 19 SER OG : rot -16:sc= 0.791 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot -70:sc= 1.29 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 SER OG : rot 21:sc= 0.166 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 31 ASN : amide:sc= -0.134 K(o=-0.13,f=-7.1!) USER MOD Single : A 32 THR OG1 : rot 52:sc= 0.474! USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 THR OG1 : rot 56:sc= -0.206 USER MOD Single : A 44 TYR OH : rot 180:sc= -0.102 USER MOD Single : A 45 LYS NZ :NH3+ -134:sc= -0.13 (180deg=-0.812) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 SER OG : rot 180:sc= -0.278 USER MOD Single : A 52 HIS : no HD1:sc= -0.278 X(o=-0.28,f=-0.41) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -4.357 11.781 -9.458 1.00 1.00 N ATOM 2 CA MET A 1 -3.120 12.313 -10.100 1.00 1.00 C ATOM 3 C MET A 1 -1.911 11.907 -9.259 1.00 1.00 C ATOM 4 O MET A 1 -2.034 11.613 -8.072 1.00 1.00 O ATOM 5 CB MET A 1 -3.216 13.851 -10.204 1.00 1.00 C ATOM 6 CG MET A 1 -4.426 14.272 -11.068 1.00 1.00 C ATOM 7 SD MET A 1 -4.172 13.774 -12.794 1.00 1.00 S ATOM 8 CE MET A 1 -5.704 14.466 -13.461 1.00 1.00 C ATOM 0 H1 MET A 1 -4.960 11.338 -10.180 1.00 1.00 H new ATOM 0 H2 MET A 1 -4.099 11.074 -8.740 1.00 1.00 H new ATOM 0 H3 MET A 1 -4.876 12.560 -9.005 1.00 1.00 H new ATOM 0 HA MET A 1 -3.010 11.903 -11.104 1.00 1.00 H new ATOM 0 HB2 MET A 1 -3.309 14.282 -9.207 1.00 1.00 H new ATOM 0 HB3 MET A 1 -2.298 14.248 -10.638 1.00 1.00 H new ATOM 0 HG2 MET A 1 -5.335 13.813 -10.680 1.00 1.00 H new ATOM 0 HG3 MET A 1 -4.564 15.352 -11.011 1.00 1.00 H new ATOM 0 HE1 MET A 1 -5.756 14.270 -14.532 1.00 1.00 H new ATOM 0 HE2 MET A 1 -6.558 14.003 -12.966 1.00 1.00 H new ATOM 0 HE3 MET A 1 -5.723 15.542 -13.287 1.00 1.00 H new ATOM 20 N LYS A 2 -0.742 11.892 -9.892 1.00 1.00 N ATOM 21 CA LYS A 2 0.505 11.512 -9.212 1.00 1.00 C ATOM 22 C LYS A 2 0.356 10.156 -8.507 1.00 1.00 C ATOM 23 O LYS A 2 -0.183 10.077 -7.403 1.00 1.00 O ATOM 24 CB LYS A 2 0.907 12.591 -8.188 1.00 1.00 C ATOM 25 CG LYS A 2 1.101 13.963 -8.897 1.00 1.00 C ATOM 26 CD LYS A 2 1.653 15.052 -7.899 1.00 1.00 C ATOM 27 CE LYS A 2 3.202 15.123 -7.943 1.00 1.00 C ATOM 28 NZ LYS A 2 3.793 13.792 -7.633 1.00 1.00 N ATOM 0 H LYS A 2 -0.626 12.138 -10.875 1.00 1.00 H new ATOM 0 HA LYS A 2 1.286 11.426 -9.967 1.00 1.00 H new ATOM 0 HB2 LYS A 2 0.139 12.677 -7.419 1.00 1.00 H new ATOM 0 HB3 LYS A 2 1.830 12.300 -7.686 1.00 1.00 H new ATOM 0 HG2 LYS A 2 1.792 13.848 -9.732 1.00 1.00 H new ATOM 0 HG3 LYS A 2 0.151 14.297 -9.313 1.00 1.00 H new ATOM 0 HD2 LYS A 2 1.235 16.026 -8.153 1.00 1.00 H new ATOM 0 HD3 LYS A 2 1.326 14.819 -6.886 1.00 1.00 H new ATOM 0 HE2 LYS A 2 3.529 15.452 -8.929 1.00 1.00 H new ATOM 0 HE3 LYS A 2 3.559 15.862 -7.226 1.00 1.00 H new ATOM 0 HZ1 LYS A 2 4.800 13.905 -7.400 1.00 1.00 H new ATOM 0 HZ2 LYS A 2 3.295 13.371 -6.823 1.00 1.00 H new ATOM 0 HZ3 LYS A 2 3.697 13.169 -8.460 1.00 1.00 H new ATOM 42 N THR A 3 0.824 9.097 -9.162 1.00 1.00 N ATOM 43 CA THR A 3 0.738 7.723 -8.619 1.00 1.00 C ATOM 44 C THR A 3 2.117 7.074 -8.598 1.00 1.00 C ATOM 45 O THR A 3 3.054 7.521 -9.259 1.00 1.00 O ATOM 46 CB THR A 3 -0.210 6.879 -9.493 1.00 1.00 C ATOM 47 OG1 THR A 3 0.331 6.772 -10.801 1.00 1.00 O ATOM 48 CG2 THR A 3 -1.597 7.542 -9.565 1.00 1.00 C ATOM 0 H THR A 3 1.272 9.154 -10.077 1.00 1.00 H new ATOM 0 HA THR A 3 0.353 7.773 -7.600 1.00 1.00 H new ATOM 0 HB THR A 3 -0.314 5.887 -9.053 1.00 1.00 H new ATOM 0 HG1 THR A 3 -0.268 6.234 -11.360 1.00 1.00 H new ATOM 0 HG21 THR A 3 -2.258 6.937 -10.185 1.00 1.00 H new ATOM 0 HG22 THR A 3 -2.014 7.623 -8.561 1.00 1.00 H new ATOM 0 HG23 THR A 3 -1.502 8.537 -10.000 1.00 1.00 H new ATOM 56 N GLY A 4 2.224 5.999 -7.822 1.00 1.00 N ATOM 57 CA GLY A 4 3.489 5.246 -7.675 1.00 1.00 C ATOM 58 C GLY A 4 3.303 3.791 -8.074 1.00 1.00 C ATOM 59 O GLY A 4 2.203 3.244 -7.980 1.00 1.00 O ATOM 0 H GLY A 4 1.450 5.619 -7.277 1.00 1.00 H new ATOM 0 HA2 GLY A 4 4.262 5.701 -8.294 1.00 1.00 H new ATOM 0 HA3 GLY A 4 3.833 5.303 -6.642 1.00 1.00 H new ATOM 63 N ILE A 5 4.388 3.164 -8.515 1.00 1.00 N ATOM 64 CA ILE A 5 4.376 1.748 -8.935 1.00 1.00 C ATOM 65 C ILE A 5 5.242 0.908 -7.983 1.00 1.00 C ATOM 66 O ILE A 5 6.316 1.322 -7.545 1.00 1.00 O ATOM 67 CB ILE A 5 4.885 1.631 -10.406 1.00 1.00 C ATOM 68 CG1 ILE A 5 6.267 2.337 -10.562 1.00 1.00 C ATOM 69 CG2 ILE A 5 3.848 2.271 -11.367 1.00 1.00 C ATOM 70 CD1 ILE A 5 6.856 2.094 -11.967 1.00 1.00 C ATOM 0 H ILE A 5 5.301 3.611 -8.595 1.00 1.00 H new ATOM 0 HA ILE A 5 3.356 1.365 -8.891 1.00 1.00 H new ATOM 0 HB ILE A 5 5.006 0.577 -10.656 1.00 1.00 H new ATOM 0 HG12 ILE A 5 6.154 3.408 -10.391 1.00 1.00 H new ATOM 0 HG13 ILE A 5 6.957 1.965 -9.805 1.00 1.00 H new ATOM 0 HG21 ILE A 5 4.204 2.189 -12.394 1.00 1.00 H new ATOM 0 HG22 ILE A 5 2.894 1.752 -11.271 1.00 1.00 H new ATOM 0 HG23 ILE A 5 3.716 3.322 -11.112 1.00 1.00 H new ATOM 0 HD11 ILE A 5 7.820 2.597 -12.050 1.00 1.00 H new ATOM 0 HD12 ILE A 5 6.990 1.024 -12.125 1.00 1.00 H new ATOM 0 HD13 ILE A 5 6.175 2.489 -12.720 1.00 1.00 H new ATOM 82 N VAL A 6 4.749 -0.289 -7.681 1.00 1.00 N ATOM 83 CA VAL A 6 5.447 -1.217 -6.778 1.00 1.00 C ATOM 84 C VAL A 6 6.370 -2.122 -7.597 1.00 1.00 C ATOM 85 O VAL A 6 5.951 -2.702 -8.599 1.00 1.00 O ATOM 86 CB VAL A 6 4.424 -2.119 -6.006 1.00 1.00 C ATOM 87 CG1 VAL A 6 5.052 -2.671 -4.698 1.00 1.00 C ATOM 88 CG2 VAL A 6 3.130 -1.337 -5.684 1.00 1.00 C ATOM 0 H VAL A 6 3.866 -0.646 -8.046 1.00 1.00 H new ATOM 0 HA VAL A 6 6.020 -0.631 -6.060 1.00 1.00 H new ATOM 0 HB VAL A 6 4.169 -2.959 -6.652 1.00 1.00 H new ATOM 0 HG11 VAL A 6 4.323 -3.294 -4.179 1.00 1.00 H new ATOM 0 HG12 VAL A 6 5.932 -3.267 -4.940 1.00 1.00 H new ATOM 0 HG13 VAL A 6 5.342 -1.840 -4.055 1.00 1.00 H new ATOM 0 HG21 VAL A 6 2.437 -1.985 -5.148 1.00 1.00 H new ATOM 0 HG22 VAL A 6 3.371 -0.473 -5.064 1.00 1.00 H new ATOM 0 HG23 VAL A 6 2.668 -1.000 -6.612 1.00 1.00 H new ATOM 98 N ASN A 7 7.615 -2.254 -7.151 1.00 1.00 N ATOM 99 CA ASN A 7 8.569 -3.111 -7.859 1.00 1.00 C ATOM 100 C ASN A 7 8.049 -4.562 -7.913 1.00 1.00 C ATOM 101 O ASN A 7 7.923 -5.227 -6.885 1.00 1.00 O ATOM 102 CB ASN A 7 9.933 -3.065 -7.145 1.00 1.00 C ATOM 103 CG ASN A 7 10.448 -1.628 -7.087 1.00 1.00 C ATOM 104 OD1 ASN A 7 10.713 -1.104 -6.006 1.00 1.00 O ATOM 105 ND2 ASN A 7 10.602 -0.957 -8.196 1.00 1.00 N ATOM 0 H ASN A 7 7.985 -1.791 -6.321 1.00 1.00 H new ATOM 0 HA ASN A 7 8.684 -2.746 -8.880 1.00 1.00 H new ATOM 0 HB2 ASN A 7 9.838 -3.466 -6.136 1.00 1.00 H new ATOM 0 HB3 ASN A 7 10.649 -3.695 -7.672 1.00 1.00 H new ATOM 0 HD21 ASN A 7 10.943 0.004 -8.168 1.00 1.00 H new ATOM 0 HD22 ASN A 7 10.382 -1.394 -9.091 1.00 1.00 H new ATOM 112 N VAL A 8 7.757 -5.036 -9.121 1.00 1.00 N ATOM 113 CA VAL A 8 7.245 -6.401 -9.321 1.00 1.00 C ATOM 114 C VAL A 8 8.176 -7.425 -8.659 1.00 1.00 C ATOM 115 O VAL A 8 7.785 -8.559 -8.375 1.00 1.00 O ATOM 116 CB VAL A 8 7.095 -6.689 -10.841 1.00 1.00 C ATOM 117 CG1 VAL A 8 6.444 -8.079 -11.077 1.00 1.00 C ATOM 118 CG2 VAL A 8 6.213 -5.593 -11.489 1.00 1.00 C ATOM 0 H VAL A 8 7.864 -4.499 -9.982 1.00 1.00 H new ATOM 0 HA VAL A 8 6.265 -6.486 -8.852 1.00 1.00 H new ATOM 0 HB VAL A 8 8.086 -6.687 -11.294 1.00 1.00 H new ATOM 0 HG11 VAL A 8 6.349 -8.259 -12.148 1.00 1.00 H new ATOM 0 HG12 VAL A 8 7.069 -8.854 -10.633 1.00 1.00 H new ATOM 0 HG13 VAL A 8 5.456 -8.101 -10.616 1.00 1.00 H new ATOM 0 HG21 VAL A 8 6.107 -5.794 -12.555 1.00 1.00 H new ATOM 0 HG22 VAL A 8 5.229 -5.594 -11.020 1.00 1.00 H new ATOM 0 HG23 VAL A 8 6.681 -4.619 -11.348 1.00 1.00 H new ATOM 128 N SER A 9 9.409 -7.001 -8.405 1.00 1.00 N ATOM 129 CA SER A 9 10.405 -7.870 -7.760 1.00 1.00 C ATOM 130 C SER A 9 9.820 -8.531 -6.492 1.00 1.00 C ATOM 131 O SER A 9 9.589 -7.856 -5.488 1.00 1.00 O ATOM 132 CB SER A 9 11.640 -7.036 -7.391 1.00 1.00 C ATOM 133 OG SER A 9 12.172 -6.447 -8.571 1.00 1.00 O ATOM 0 H SER A 9 9.748 -6.066 -8.632 1.00 1.00 H new ATOM 0 HA SER A 9 10.686 -8.660 -8.456 1.00 1.00 H new ATOM 0 HB2 SER A 9 11.370 -6.262 -6.673 1.00 1.00 H new ATOM 0 HB3 SER A 9 12.391 -7.666 -6.914 1.00 1.00 H new ATOM 0 HG SER A 9 12.960 -5.911 -8.343 1.00 1.00 H new ATOM 139 N SER A 10 9.579 -9.836 -6.559 1.00 1.00 N ATOM 140 CA SER A 10 9.008 -10.584 -5.434 1.00 1.00 C ATOM 141 C SER A 10 7.605 -10.047 -5.081 1.00 1.00 C ATOM 142 O SER A 10 6.735 -9.987 -5.950 1.00 1.00 O ATOM 143 CB SER A 10 9.963 -10.544 -4.215 1.00 1.00 C ATOM 144 OG SER A 10 11.281 -10.857 -4.645 1.00 1.00 O ATOM 0 H SER A 10 9.770 -10.405 -7.384 1.00 1.00 H new ATOM 0 HA SER A 10 8.894 -11.628 -5.728 1.00 1.00 H new ATOM 0 HB2 SER A 10 9.943 -9.557 -3.754 1.00 1.00 H new ATOM 0 HB3 SER A 10 9.636 -11.256 -3.458 1.00 1.00 H new ATOM 0 HG SER A 10 11.890 -10.831 -3.878 1.00 1.00 H new ATOM 150 N SER A 11 7.398 -9.673 -3.823 1.00 1.00 N ATOM 151 CA SER A 11 6.092 -9.143 -3.379 1.00 1.00 C ATOM 152 C SER A 11 6.269 -8.197 -2.199 1.00 1.00 C ATOM 153 O SER A 11 7.274 -8.249 -1.491 1.00 1.00 O ATOM 154 CB SER A 11 5.172 -10.303 -2.976 1.00 1.00 C ATOM 155 OG SER A 11 5.711 -10.949 -1.830 1.00 1.00 O ATOM 0 H SER A 11 8.105 -9.722 -3.090 1.00 1.00 H new ATOM 0 HA SER A 11 5.643 -8.590 -4.205 1.00 1.00 H new ATOM 0 HB2 SER A 11 4.170 -9.931 -2.761 1.00 1.00 H new ATOM 0 HB3 SER A 11 5.079 -11.012 -3.798 1.00 1.00 H new ATOM 0 HG SER A 11 5.126 -11.690 -1.567 1.00 1.00 H new ATOM 161 N LEU A 12 5.280 -7.335 -1.989 1.00 1.00 N ATOM 162 CA LEU A 12 5.298 -6.353 -0.874 1.00 1.00 C ATOM 163 C LEU A 12 4.059 -6.532 0.009 1.00 1.00 C ATOM 164 O LEU A 12 2.932 -6.635 -0.475 1.00 1.00 O ATOM 165 CB LEU A 12 5.333 -4.907 -1.437 1.00 1.00 C ATOM 166 CG LEU A 12 5.400 -3.823 -0.300 1.00 1.00 C ATOM 167 CD1 LEU A 12 6.651 -4.009 0.618 1.00 1.00 C ATOM 168 CD2 LEU A 12 5.415 -2.415 -0.948 1.00 1.00 C ATOM 0 H LEU A 12 4.444 -7.285 -2.572 1.00 1.00 H new ATOM 0 HA LEU A 12 6.191 -6.525 -0.273 1.00 1.00 H new ATOM 0 HB2 LEU A 12 6.197 -4.796 -2.093 1.00 1.00 H new ATOM 0 HB3 LEU A 12 4.446 -4.736 -2.047 1.00 1.00 H new ATOM 0 HG LEU A 12 4.521 -3.937 0.334 1.00 1.00 H new ATOM 0 HD11 LEU A 12 6.655 -3.238 1.388 1.00 1.00 H new ATOM 0 HD12 LEU A 12 6.614 -4.992 1.088 1.00 1.00 H new ATOM 0 HD13 LEU A 12 7.558 -3.928 0.018 1.00 1.00 H new ATOM 0 HD21 LEU A 12 5.461 -1.656 -0.167 1.00 1.00 H new ATOM 0 HD22 LEU A 12 6.286 -2.322 -1.597 1.00 1.00 H new ATOM 0 HD23 LEU A 12 4.508 -2.276 -1.536 1.00 1.00 H new ATOM 180 N ASN A 13 4.289 -6.552 1.318 1.00 1.00 N ATOM 181 CA ASN A 13 3.203 -6.703 2.290 1.00 1.00 C ATOM 182 C ASN A 13 2.570 -5.336 2.586 1.00 1.00 C ATOM 183 O ASN A 13 3.265 -4.321 2.650 1.00 1.00 O ATOM 184 CB ASN A 13 3.776 -7.319 3.581 1.00 1.00 C ATOM 185 CG ASN A 13 4.907 -6.449 4.134 1.00 1.00 C ATOM 186 OD1 ASN A 13 5.919 -6.246 3.462 1.00 1.00 O ATOM 187 ND2 ASN A 13 4.793 -5.914 5.321 1.00 1.00 N ATOM 0 H ASN A 13 5.216 -6.466 1.734 1.00 1.00 H new ATOM 0 HA ASN A 13 2.431 -7.357 1.885 1.00 1.00 H new ATOM 0 HB2 ASN A 13 2.986 -7.416 4.326 1.00 1.00 H new ATOM 0 HB3 ASN A 13 4.148 -8.323 3.378 1.00 1.00 H new ATOM 0 HD21 ASN A 13 5.542 -5.329 5.691 1.00 1.00 H new ATOM 0 HD22 ASN A 13 3.955 -6.082 5.878 1.00 1.00 H new ATOM 194 N VAL A 14 1.255 -5.327 2.778 1.00 1.00 N ATOM 195 CA VAL A 14 0.520 -4.075 3.074 1.00 1.00 C ATOM 196 C VAL A 14 0.333 -3.940 4.588 1.00 1.00 C ATOM 197 O VAL A 14 -0.334 -4.765 5.218 1.00 1.00 O ATOM 198 CB VAL A 14 -0.865 -4.092 2.368 1.00 1.00 C ATOM 199 CG1 VAL A 14 -1.610 -2.747 2.592 1.00 1.00 C ATOM 200 CG2 VAL A 14 -0.670 -4.321 0.852 1.00 1.00 C ATOM 0 H VAL A 14 0.668 -6.160 2.737 1.00 1.00 H new ATOM 0 HA VAL A 14 1.092 -3.225 2.703 1.00 1.00 H new ATOM 0 HB VAL A 14 -1.461 -4.900 2.792 1.00 1.00 H new ATOM 0 HG11 VAL A 14 -2.577 -2.779 2.090 1.00 1.00 H new ATOM 0 HG12 VAL A 14 -1.760 -2.588 3.660 1.00 1.00 H new ATOM 0 HG13 VAL A 14 -1.016 -1.930 2.183 1.00 1.00 H new ATOM 0 HG21 VAL A 14 -1.641 -4.333 0.358 1.00 1.00 H new ATOM 0 HG22 VAL A 14 -0.062 -3.517 0.438 1.00 1.00 H new ATOM 0 HG23 VAL A 14 -0.169 -5.275 0.690 1.00 1.00 H new ATOM 210 N ARG A 15 0.911 -2.890 5.161 1.00 1.00 N ATOM 211 CA ARG A 15 0.809 -2.632 6.600 1.00 1.00 C ATOM 212 C ARG A 15 -0.484 -1.870 6.899 1.00 1.00 C ATOM 213 O ARG A 15 -1.126 -1.332 5.997 1.00 1.00 O ATOM 214 CB ARG A 15 2.024 -1.786 7.034 1.00 1.00 C ATOM 215 CG ARG A 15 3.333 -2.576 6.825 1.00 1.00 C ATOM 216 CD ARG A 15 4.548 -1.697 7.173 1.00 1.00 C ATOM 217 NE ARG A 15 5.789 -2.466 6.981 1.00 1.00 N ATOM 218 CZ ARG A 15 6.291 -2.721 5.761 1.00 1.00 C ATOM 219 NH1 ARG A 15 5.682 -2.287 4.686 1.00 1.00 N ATOM 220 NH2 ARG A 15 7.393 -3.408 5.643 1.00 1.00 N ATOM 0 H ARG A 15 1.459 -2.198 4.651 1.00 1.00 H new ATOM 0 HA ARG A 15 0.796 -3.575 7.147 1.00 1.00 H new ATOM 0 HB2 ARG A 15 2.055 -0.861 6.459 1.00 1.00 H new ATOM 0 HB3 ARG A 15 1.924 -1.506 8.083 1.00 1.00 H new ATOM 0 HG2 ARG A 15 3.331 -3.469 7.450 1.00 1.00 H new ATOM 0 HG3 ARG A 15 3.402 -2.911 5.790 1.00 1.00 H new ATOM 0 HD2 ARG A 15 4.558 -0.808 6.542 1.00 1.00 H new ATOM 0 HD3 ARG A 15 4.477 -1.354 8.205 1.00 1.00 H new ATOM 0 HE ARG A 15 6.284 -2.817 7.801 1.00 1.00 H new ATOM 0 HH11 ARG A 15 4.819 -1.750 4.770 1.00 1.00 H new ATOM 0 HH12 ARG A 15 6.071 -2.486 3.764 1.00 1.00 H new ATOM 0 HH21 ARG A 15 7.872 -3.751 6.476 1.00 1.00 H new ATOM 0 HH22 ARG A 15 7.776 -3.603 4.718 1.00 1.00 H new ATOM 234 N SER A 16 -0.853 -1.828 8.175 1.00 1.00 N ATOM 235 CA SER A 16 -2.079 -1.113 8.604 1.00 1.00 C ATOM 236 C SER A 16 -1.737 0.301 9.078 1.00 1.00 C ATOM 237 O SER A 16 -2.610 1.163 9.170 1.00 1.00 O ATOM 238 CB SER A 16 -2.769 -1.892 9.733 1.00 1.00 C ATOM 239 OG SER A 16 -3.965 -1.217 10.100 1.00 1.00 O ATOM 0 H SER A 16 -0.335 -2.272 8.934 1.00 1.00 H new ATOM 0 HA SER A 16 -2.756 -1.039 7.753 1.00 1.00 H new ATOM 0 HB2 SER A 16 -2.995 -2.907 9.406 1.00 1.00 H new ATOM 0 HB3 SER A 16 -2.105 -1.975 10.593 1.00 1.00 H new ATOM 0 HG SER A 16 -4.411 -1.710 10.820 1.00 1.00 H new ATOM 245 N SER A 17 -0.463 0.525 9.390 1.00 1.00 N ATOM 246 CA SER A 17 -0.004 1.848 9.865 1.00 1.00 C ATOM 247 C SER A 17 1.480 2.069 9.536 1.00 1.00 C ATOM 248 O SER A 17 2.062 1.349 8.724 1.00 1.00 O ATOM 249 CB SER A 17 -0.229 1.947 11.381 1.00 1.00 C ATOM 250 OG SER A 17 0.126 3.249 11.828 1.00 1.00 O ATOM 0 H SER A 17 0.272 -0.179 9.327 1.00 1.00 H new ATOM 0 HA SER A 17 -0.578 2.622 9.356 1.00 1.00 H new ATOM 0 HB2 SER A 17 -1.273 1.741 11.619 1.00 1.00 H new ATOM 0 HB3 SER A 17 0.370 1.197 11.898 1.00 1.00 H new ATOM 0 HG SER A 17 -0.019 3.314 12.795 1.00 1.00 H new ATOM 256 N ALA A 18 2.079 3.065 10.180 1.00 1.00 N ATOM 257 CA ALA A 18 3.502 3.395 9.959 1.00 1.00 C ATOM 258 C ALA A 18 4.395 2.496 10.822 1.00 1.00 C ATOM 259 O ALA A 18 5.316 2.960 11.493 1.00 1.00 O ATOM 260 CB ALA A 18 3.746 4.881 10.290 1.00 1.00 C ATOM 0 H ALA A 18 1.611 3.663 10.861 1.00 1.00 H new ATOM 0 HA ALA A 18 3.753 3.221 8.913 1.00 1.00 H new ATOM 0 HB1 ALA A 18 4.796 5.123 10.126 1.00 1.00 H new ATOM 0 HB2 ALA A 18 3.126 5.504 9.646 1.00 1.00 H new ATOM 0 HB3 ALA A 18 3.489 5.069 11.332 1.00 1.00 H new ATOM 266 N SER A 19 4.105 1.199 10.790 1.00 1.00 N ATOM 267 CA SER A 19 4.886 0.218 11.568 1.00 1.00 C ATOM 268 C SER A 19 4.745 -1.192 10.970 1.00 1.00 C ATOM 269 O SER A 19 3.654 -1.612 10.584 1.00 1.00 O ATOM 270 CB SER A 19 4.412 0.225 13.030 1.00 1.00 C ATOM 271 OG SER A 19 4.604 1.525 13.574 1.00 1.00 O ATOM 0 H SER A 19 3.344 0.797 10.242 1.00 1.00 H new ATOM 0 HA SER A 19 5.939 0.498 11.528 1.00 1.00 H new ATOM 0 HB2 SER A 19 3.360 -0.055 13.086 1.00 1.00 H new ATOM 0 HB3 SER A 19 4.969 -0.511 13.610 1.00 1.00 H new ATOM 0 HG SER A 19 5.218 2.031 13.002 1.00 1.00 H new ATOM 277 N THR A 20 5.864 -1.905 10.892 1.00 1.00 N ATOM 278 CA THR A 20 5.877 -3.271 10.348 1.00 1.00 C ATOM 279 C THR A 20 5.181 -4.232 11.305 1.00 1.00 C ATOM 280 O THR A 20 4.580 -5.218 10.878 1.00 1.00 O ATOM 281 CB THR A 20 7.328 -3.737 10.093 1.00 1.00 C ATOM 282 OG1 THR A 20 7.310 -5.102 9.696 1.00 1.00 O ATOM 283 CG2 THR A 20 8.189 -3.593 11.361 1.00 1.00 C ATOM 0 H THR A 20 6.776 -1.566 11.197 1.00 1.00 H new ATOM 0 HA THR A 20 5.338 -3.268 9.401 1.00 1.00 H new ATOM 0 HB THR A 20 7.761 -3.114 9.310 1.00 1.00 H new ATOM 0 HG1 THR A 20 8.227 -5.407 9.530 1.00 1.00 H new ATOM 0 HG21 THR A 20 9.205 -3.928 11.151 1.00 1.00 H new ATOM 0 HG22 THR A 20 8.209 -2.548 11.671 1.00 1.00 H new ATOM 0 HG23 THR A 20 7.764 -4.200 12.160 1.00 1.00 H new ATOM 291 N SER A 21 5.281 -3.952 12.602 1.00 1.00 N ATOM 292 CA SER A 21 4.665 -4.793 13.633 1.00 1.00 C ATOM 293 C SER A 21 3.139 -4.651 13.607 1.00 1.00 C ATOM 294 O SER A 21 2.440 -5.322 14.365 1.00 1.00 O ATOM 295 CB SER A 21 5.207 -4.387 15.012 1.00 1.00 C ATOM 296 OG SER A 21 6.619 -4.560 15.026 1.00 1.00 O ATOM 0 H SER A 21 5.785 -3.145 12.969 1.00 1.00 H new ATOM 0 HA SER A 21 4.914 -5.835 13.434 1.00 1.00 H new ATOM 0 HB2 SER A 21 4.953 -3.349 15.225 1.00 1.00 H new ATOM 0 HB3 SER A 21 4.746 -4.994 15.791 1.00 1.00 H new ATOM 0 HG SER A 21 6.972 -4.301 15.903 1.00 1.00 H new ATOM 302 N SER A 22 2.635 -3.786 12.732 1.00 1.00 N ATOM 303 CA SER A 22 1.180 -3.557 12.606 1.00 1.00 C ATOM 304 C SER A 22 0.520 -4.705 11.843 1.00 1.00 C ATOM 305 O SER A 22 -0.571 -4.564 11.292 1.00 1.00 O ATOM 306 CB SER A 22 0.940 -2.243 11.853 1.00 1.00 C ATOM 307 OG SER A 22 1.276 -2.416 10.480 1.00 1.00 O ATOM 0 H SER A 22 3.203 -3.227 12.095 1.00 1.00 H new ATOM 0 HA SER A 22 0.744 -3.503 13.603 1.00 1.00 H new ATOM 0 HB2 SER A 22 -0.103 -1.942 11.948 1.00 1.00 H new ATOM 0 HB3 SER A 22 1.543 -1.446 12.289 1.00 1.00 H new ATOM 0 HG SER A 22 2.247 -2.517 10.391 1.00 1.00 H new ATOM 313 N LYS A 23 1.201 -5.847 11.819 1.00 1.00 N ATOM 314 CA LYS A 23 0.701 -7.051 11.102 1.00 1.00 C ATOM 315 C LYS A 23 0.230 -6.704 9.663 1.00 1.00 C ATOM 316 O LYS A 23 0.067 -5.527 9.344 1.00 1.00 O ATOM 317 CB LYS A 23 -0.462 -7.677 11.900 1.00 1.00 C ATOM 318 CG LYS A 23 0.036 -8.149 13.286 1.00 1.00 C ATOM 319 CD LYS A 23 -1.130 -8.766 14.092 1.00 1.00 C ATOM 320 CE LYS A 23 -0.636 -9.235 15.473 1.00 1.00 C ATOM 321 NZ LYS A 23 -1.776 -9.816 16.236 1.00 1.00 N ATOM 0 H LYS A 23 2.100 -5.980 12.282 1.00 1.00 H new ATOM 0 HA LYS A 23 1.521 -7.764 11.019 1.00 1.00 H new ATOM 0 HB2 LYS A 23 -1.263 -6.948 12.022 1.00 1.00 H new ATOM 0 HB3 LYS A 23 -0.879 -8.520 11.349 1.00 1.00 H new ATOM 0 HG2 LYS A 23 0.832 -8.884 13.163 1.00 1.00 H new ATOM 0 HG3 LYS A 23 0.461 -7.308 13.834 1.00 1.00 H new ATOM 0 HD2 LYS A 23 -1.926 -8.031 14.213 1.00 1.00 H new ATOM 0 HD3 LYS A 23 -1.554 -9.608 13.545 1.00 1.00 H new ATOM 0 HE2 LYS A 23 0.153 -9.977 15.356 1.00 1.00 H new ATOM 0 HE3 LYS A 23 -0.207 -8.397 16.022 1.00 1.00 H new ATOM 0 HZ1 LYS A 23 -1.444 -10.133 17.169 1.00 1.00 H new ATOM 0 HZ2 LYS A 23 -2.515 -9.095 16.359 1.00 1.00 H new ATOM 0 HZ3 LYS A 23 -2.166 -10.626 15.714 1.00 1.00 H new ATOM 335 N VAL A 24 0.007 -7.717 8.833 1.00 1.00 N ATOM 336 CA VAL A 24 -0.454 -7.515 7.453 1.00 1.00 C ATOM 337 C VAL A 24 -1.987 -7.499 7.421 1.00 1.00 C ATOM 338 O VAL A 24 -2.656 -7.842 8.397 1.00 1.00 O ATOM 339 CB VAL A 24 0.122 -8.656 6.554 1.00 1.00 C ATOM 340 CG1 VAL A 24 -0.193 -8.410 5.040 1.00 1.00 C ATOM 341 CG2 VAL A 24 1.660 -8.736 6.766 1.00 1.00 C ATOM 0 H VAL A 24 0.138 -8.696 9.089 1.00 1.00 H new ATOM 0 HA VAL A 24 -0.100 -6.558 7.070 1.00 1.00 H new ATOM 0 HB VAL A 24 -0.350 -9.596 6.841 1.00 1.00 H new ATOM 0 HG11 VAL A 24 0.223 -9.223 4.445 1.00 1.00 H new ATOM 0 HG12 VAL A 24 -1.273 -8.369 4.895 1.00 1.00 H new ATOM 0 HG13 VAL A 24 0.251 -7.466 4.725 1.00 1.00 H new ATOM 0 HG21 VAL A 24 2.072 -9.530 6.143 1.00 1.00 H new ATOM 0 HG22 VAL A 24 2.115 -7.785 6.490 1.00 1.00 H new ATOM 0 HG23 VAL A 24 1.872 -8.950 7.814 1.00 1.00 H new ATOM 351 N ILE A 25 -2.531 -7.097 6.276 1.00 1.00 N ATOM 352 CA ILE A 25 -4.009 -7.040 6.097 1.00 1.00 C ATOM 353 C ILE A 25 -4.407 -7.626 4.743 1.00 1.00 C ATOM 354 O ILE A 25 -5.551 -8.036 4.543 1.00 1.00 O ATOM 355 CB ILE A 25 -4.519 -5.572 6.227 1.00 1.00 C ATOM 356 CG1 ILE A 25 -3.875 -4.657 5.135 1.00 1.00 C ATOM 357 CG2 ILE A 25 -4.173 -5.030 7.636 1.00 1.00 C ATOM 358 CD1 ILE A 25 -4.476 -3.236 5.178 1.00 1.00 C ATOM 0 H ILE A 25 -1.994 -6.806 5.459 1.00 1.00 H new ATOM 0 HA ILE A 25 -4.474 -7.637 6.881 1.00 1.00 H new ATOM 0 HB ILE A 25 -5.599 -5.565 6.083 1.00 1.00 H new ATOM 0 HG12 ILE A 25 -2.797 -4.604 5.289 1.00 1.00 H new ATOM 0 HG13 ILE A 25 -4.035 -5.094 4.149 1.00 1.00 H new ATOM 0 HG21 ILE A 25 -4.529 -4.004 7.729 1.00 1.00 H new ATOM 0 HG22 ILE A 25 -4.654 -5.650 8.393 1.00 1.00 H new ATOM 0 HG23 ILE A 25 -3.093 -5.054 7.780 1.00 1.00 H new ATOM 0 HD11 ILE A 25 -4.010 -2.621 4.408 1.00 1.00 H new ATOM 0 HD12 ILE A 25 -5.550 -3.290 4.999 1.00 1.00 H new ATOM 0 HD13 ILE A 25 -4.293 -2.793 6.157 1.00 1.00 H new ATOM 370 N GLY A 26 -3.462 -7.638 3.809 1.00 1.00 N ATOM 371 CA GLY A 26 -3.718 -8.167 2.470 1.00 1.00 C ATOM 372 C GLY A 26 -2.547 -7.877 1.551 1.00 1.00 C ATOM 373 O GLY A 26 -1.560 -7.259 1.949 1.00 1.00 O ATOM 0 H GLY A 26 -2.514 -7.289 3.952 1.00 1.00 H new ATOM 0 HA2 GLY A 26 -3.888 -9.242 2.524 1.00 1.00 H new ATOM 0 HA3 GLY A 26 -4.626 -7.721 2.064 1.00 1.00 H new ATOM 377 N SER A 27 -2.670 -8.317 0.303 1.00 1.00 N ATOM 378 CA SER A 27 -1.618 -8.106 -0.713 1.00 1.00 C ATOM 379 C SER A 27 -2.243 -7.583 -2.008 1.00 1.00 C ATOM 380 O SER A 27 -3.239 -8.116 -2.498 1.00 1.00 O ATOM 381 CB SER A 27 -0.902 -9.436 -0.992 1.00 1.00 C ATOM 382 OG SER A 27 -1.836 -10.369 -1.515 1.00 1.00 O ATOM 0 H SER A 27 -3.486 -8.824 -0.040 1.00 1.00 H new ATOM 0 HA SER A 27 -0.901 -7.375 -0.340 1.00 1.00 H new ATOM 0 HB2 SER A 27 -0.088 -9.283 -1.700 1.00 1.00 H new ATOM 0 HB3 SER A 27 -0.458 -9.823 -0.075 1.00 1.00 H new ATOM 0 HG SER A 27 -2.608 -9.889 -1.881 1.00 1.00 H new ATOM 388 N LEU A 28 -1.628 -6.546 -2.567 1.00 1.00 N ATOM 389 CA LEU A 28 -2.119 -5.923 -3.813 1.00 1.00 C ATOM 390 C LEU A 28 -1.312 -6.464 -4.989 1.00 1.00 C ATOM 391 O LEU A 28 -0.349 -7.210 -4.807 1.00 1.00 O ATOM 392 CB LEU A 28 -1.972 -4.354 -3.724 1.00 1.00 C ATOM 393 CG LEU A 28 -0.681 -3.918 -2.957 1.00 1.00 C ATOM 394 CD1 LEU A 28 0.604 -4.497 -3.611 1.00 1.00 C ATOM 395 CD2 LEU A 28 -0.603 -2.369 -2.917 1.00 1.00 C ATOM 0 H LEU A 28 -0.788 -6.112 -2.185 1.00 1.00 H new ATOM 0 HA LEU A 28 -3.173 -6.163 -3.955 1.00 1.00 H new ATOM 0 HB2 LEU A 28 -1.952 -3.936 -4.731 1.00 1.00 H new ATOM 0 HB3 LEU A 28 -2.846 -3.938 -3.224 1.00 1.00 H new ATOM 0 HG LEU A 28 -0.740 -4.315 -1.944 1.00 1.00 H new ATOM 0 HD11 LEU A 28 1.478 -4.170 -3.048 1.00 1.00 H new ATOM 0 HD12 LEU A 28 0.556 -5.586 -3.606 1.00 1.00 H new ATOM 0 HD13 LEU A 28 0.681 -4.142 -4.639 1.00 1.00 H new ATOM 0 HD21 LEU A 28 0.297 -2.064 -2.383 1.00 1.00 H new ATOM 0 HD22 LEU A 28 -0.570 -1.980 -3.935 1.00 1.00 H new ATOM 0 HD23 LEU A 28 -1.481 -1.974 -2.406 1.00 1.00 H new ATOM 407 N SER A 29 -1.718 -6.085 -6.197 1.00 1.00 N ATOM 408 CA SER A 29 -1.048 -6.542 -7.413 1.00 1.00 C ATOM 409 C SER A 29 0.219 -5.741 -7.636 1.00 1.00 C ATOM 410 O SER A 29 0.210 -4.520 -7.478 1.00 1.00 O ATOM 411 CB SER A 29 -1.986 -6.357 -8.617 1.00 1.00 C ATOM 412 OG SER A 29 -1.308 -6.752 -9.802 1.00 1.00 O ATOM 0 H SER A 29 -2.509 -5.462 -6.361 1.00 1.00 H new ATOM 0 HA SER A 29 -0.793 -7.596 -7.305 1.00 1.00 H new ATOM 0 HB2 SER A 29 -2.889 -6.953 -8.485 1.00 1.00 H new ATOM 0 HB3 SER A 29 -2.299 -5.316 -8.693 1.00 1.00 H new ATOM 0 HG SER A 29 -1.903 -6.638 -10.573 1.00 1.00 H new ATOM 418 N GLY A 30 1.299 -6.415 -8.016 1.00 1.00 N ATOM 419 CA GLY A 30 2.616 -5.718 -8.271 1.00 1.00 C ATOM 420 C GLY A 30 2.478 -4.176 -8.364 1.00 1.00 C ATOM 421 O GLY A 30 2.224 -3.528 -7.348 1.00 1.00 O ATOM 0 H GLY A 30 1.320 -7.425 -8.160 1.00 1.00 H new ATOM 0 HA2 GLY A 30 3.313 -5.967 -7.471 1.00 1.00 H new ATOM 0 HA3 GLY A 30 3.047 -6.095 -9.199 1.00 1.00 H new ATOM 425 N ASN A 31 2.600 -3.619 -9.564 1.00 1.00 N ATOM 426 CA ASN A 31 2.443 -2.185 -9.785 1.00 1.00 C ATOM 427 C ASN A 31 0.954 -1.821 -9.791 1.00 1.00 C ATOM 428 O ASN A 31 0.350 -1.633 -10.848 1.00 1.00 O ATOM 429 CB ASN A 31 3.107 -1.792 -11.124 1.00 1.00 C ATOM 430 CG ASN A 31 2.504 -2.592 -12.280 1.00 1.00 C ATOM 431 OD1 ASN A 31 2.126 -3.750 -12.104 1.00 1.00 O ATOM 432 ND2 ASN A 31 2.390 -2.032 -13.453 1.00 1.00 N ATOM 0 H ASN A 31 2.810 -4.148 -10.410 1.00 1.00 H new ATOM 0 HA ASN A 31 2.929 -1.635 -8.979 1.00 1.00 H new ATOM 0 HB2 ASN A 31 2.972 -0.725 -11.304 1.00 1.00 H new ATOM 0 HB3 ASN A 31 4.181 -1.973 -11.071 1.00 1.00 H new ATOM 0 HD21 ASN A 31 1.986 -2.554 -14.230 1.00 1.00 H new ATOM 0 HD22 ASN A 31 2.705 -1.072 -13.593 1.00 1.00 H new ATOM 439 N THR A 32 0.376 -1.714 -8.598 1.00 1.00 N ATOM 440 CA THR A 32 -1.067 -1.349 -8.465 1.00 1.00 C ATOM 441 C THR A 32 -1.223 0.177 -8.500 1.00 1.00 C ATOM 442 O THR A 32 -0.370 0.914 -8.004 1.00 1.00 O ATOM 443 CB THR A 32 -1.665 -1.901 -7.136 1.00 1.00 C ATOM 444 OG1 THR A 32 -1.688 -3.311 -7.179 1.00 1.00 O ATOM 445 CG2 THR A 32 -3.128 -1.448 -6.920 1.00 1.00 C ATOM 0 H THR A 32 0.858 -1.868 -7.712 1.00 1.00 H new ATOM 0 HA THR A 32 -1.608 -1.795 -9.300 1.00 1.00 H new ATOM 0 HB THR A 32 -1.038 -1.519 -6.330 1.00 1.00 H new ATOM 0 HG1 THR A 32 -0.801 -3.645 -7.427 1.00 1.00 H new ATOM 0 HG21 THR A 32 -3.501 -1.858 -5.981 1.00 1.00 H new ATOM 0 HG22 THR A 32 -3.170 -0.359 -6.883 1.00 1.00 H new ATOM 0 HG23 THR A 32 -3.745 -1.807 -7.743 1.00 1.00 H new ATOM 453 N LYS A 33 -2.331 0.637 -9.071 1.00 1.00 N ATOM 454 CA LYS A 33 -2.620 2.080 -9.158 1.00 1.00 C ATOM 455 C LYS A 33 -3.239 2.576 -7.840 1.00 1.00 C ATOM 456 O LYS A 33 -4.214 2.006 -7.348 1.00 1.00 O ATOM 457 CB LYS A 33 -3.612 2.336 -10.316 1.00 1.00 C ATOM 458 CG LYS A 33 -2.967 1.949 -11.667 1.00 1.00 C ATOM 459 CD LYS A 33 -3.975 2.115 -12.839 1.00 1.00 C ATOM 460 CE LYS A 33 -4.382 3.598 -13.052 1.00 1.00 C ATOM 461 NZ LYS A 33 -4.997 3.745 -14.400 1.00 1.00 N ATOM 0 H LYS A 33 -3.048 0.040 -9.482 1.00 1.00 H new ATOM 0 HA LYS A 33 -1.690 2.618 -9.341 1.00 1.00 H new ATOM 0 HB2 LYS A 33 -4.522 1.757 -10.160 1.00 1.00 H new ATOM 0 HB3 LYS A 33 -3.902 3.387 -10.331 1.00 1.00 H new ATOM 0 HG2 LYS A 33 -2.091 2.572 -11.846 1.00 1.00 H new ATOM 0 HG3 LYS A 33 -2.621 0.916 -11.625 1.00 1.00 H new ATOM 0 HD2 LYS A 33 -3.532 1.726 -13.756 1.00 1.00 H new ATOM 0 HD3 LYS A 33 -4.866 1.520 -12.638 1.00 1.00 H new ATOM 0 HE2 LYS A 33 -5.087 3.909 -12.281 1.00 1.00 H new ATOM 0 HE3 LYS A 33 -3.508 4.244 -12.965 1.00 1.00 H new ATOM 0 HZ1 LYS A 33 -5.272 4.737 -14.550 1.00 1.00 H new ATOM 0 HZ2 LYS A 33 -4.310 3.463 -15.128 1.00 1.00 H new ATOM 0 HZ3 LYS A 33 -5.839 3.138 -14.465 1.00 1.00 H new ATOM 475 N VAL A 34 -2.670 3.641 -7.286 1.00 1.00 N ATOM 476 CA VAL A 34 -3.177 4.228 -6.024 1.00 1.00 C ATOM 477 C VAL A 34 -3.030 5.765 -6.049 1.00 1.00 C ATOM 478 O VAL A 34 -1.941 6.287 -6.287 1.00 1.00 O ATOM 479 CB VAL A 34 -2.419 3.628 -4.792 1.00 1.00 C ATOM 480 CG1 VAL A 34 -2.803 2.141 -4.577 1.00 1.00 C ATOM 481 CG2 VAL A 34 -0.882 3.733 -4.980 1.00 1.00 C ATOM 0 H VAL A 34 -1.861 4.122 -7.679 1.00 1.00 H new ATOM 0 HA VAL A 34 -4.234 3.980 -5.931 1.00 1.00 H new ATOM 0 HB VAL A 34 -2.713 4.206 -3.916 1.00 1.00 H new ATOM 0 HG11 VAL A 34 -2.264 1.747 -3.716 1.00 1.00 H new ATOM 0 HG12 VAL A 34 -3.876 2.064 -4.400 1.00 1.00 H new ATOM 0 HG13 VAL A 34 -2.540 1.565 -5.464 1.00 1.00 H new ATOM 0 HG21 VAL A 34 -0.379 3.309 -4.111 1.00 1.00 H new ATOM 0 HG22 VAL A 34 -0.586 3.183 -5.874 1.00 1.00 H new ATOM 0 HG23 VAL A 34 -0.599 4.780 -5.088 1.00 1.00 H new ATOM 491 N THR A 35 -4.127 6.466 -5.787 1.00 1.00 N ATOM 492 CA THR A 35 -4.133 7.936 -5.765 1.00 1.00 C ATOM 493 C THR A 35 -3.594 8.437 -4.427 1.00 1.00 C ATOM 494 O THR A 35 -4.352 8.749 -3.509 1.00 1.00 O ATOM 495 CB THR A 35 -5.574 8.447 -5.965 1.00 1.00 C ATOM 496 OG1 THR A 35 -6.369 8.035 -4.863 1.00 1.00 O ATOM 497 CG2 THR A 35 -6.167 7.875 -7.265 1.00 1.00 C ATOM 0 H THR A 35 -5.033 6.043 -5.585 1.00 1.00 H new ATOM 0 HA THR A 35 -3.499 8.310 -6.569 1.00 1.00 H new ATOM 0 HB THR A 35 -5.562 9.535 -6.032 1.00 1.00 H new ATOM 0 HG1 THR A 35 -5.965 8.357 -4.030 1.00 1.00 H new ATOM 0 HG21 THR A 35 -7.185 8.244 -7.394 1.00 1.00 H new ATOM 0 HG22 THR A 35 -5.557 8.189 -8.112 1.00 1.00 H new ATOM 0 HG23 THR A 35 -6.180 6.786 -7.211 1.00 1.00 H new ATOM 505 N ILE A 36 -2.271 8.515 -4.333 1.00 1.00 N ATOM 506 CA ILE A 36 -1.606 8.988 -3.098 1.00 1.00 C ATOM 507 C ILE A 36 -2.271 10.281 -2.587 1.00 1.00 C ATOM 508 O ILE A 36 -3.005 10.937 -3.328 1.00 1.00 O ATOM 509 CB ILE A 36 -0.083 9.219 -3.373 1.00 1.00 C ATOM 510 CG1 ILE A 36 0.562 7.879 -3.859 1.00 1.00 C ATOM 511 CG2 ILE A 36 0.643 9.737 -2.077 1.00 1.00 C ATOM 512 CD1 ILE A 36 1.998 8.106 -4.365 1.00 1.00 C ATOM 0 H ILE A 36 -1.631 8.261 -5.085 1.00 1.00 H new ATOM 0 HA ILE A 36 -1.712 8.227 -2.324 1.00 1.00 H new ATOM 0 HB ILE A 36 0.029 9.978 -4.148 1.00 1.00 H new ATOM 0 HG12 ILE A 36 0.571 7.159 -3.041 1.00 1.00 H new ATOM 0 HG13 ILE A 36 -0.044 7.448 -4.656 1.00 1.00 H new ATOM 0 HG21 ILE A 36 1.701 9.891 -2.290 1.00 1.00 H new ATOM 0 HG22 ILE A 36 0.195 10.679 -1.761 1.00 1.00 H new ATOM 0 HG23 ILE A 36 0.537 9.000 -1.281 1.00 1.00 H new ATOM 0 HD11 ILE A 36 2.421 7.158 -4.696 1.00 1.00 H new ATOM 0 HD12 ILE A 36 1.983 8.808 -5.199 1.00 1.00 H new ATOM 0 HD13 ILE A 36 2.608 8.513 -3.559 1.00 1.00 H new ATOM 524 N VAL A 37 -2.007 10.633 -1.333 1.00 1.00 N ATOM 525 CA VAL A 37 -2.594 11.844 -0.711 1.00 1.00 C ATOM 526 C VAL A 37 -1.490 12.692 -0.067 1.00 1.00 C ATOM 527 O VAL A 37 -0.883 13.520 -0.747 1.00 1.00 O ATOM 528 CB VAL A 37 -3.669 11.412 0.329 1.00 1.00 C ATOM 529 CG1 VAL A 37 -4.382 12.652 0.926 1.00 1.00 C ATOM 530 CG2 VAL A 37 -4.716 10.500 -0.361 1.00 1.00 C ATOM 0 H VAL A 37 -1.391 10.104 -0.716 1.00 1.00 H new ATOM 0 HA VAL A 37 -3.077 12.459 -1.470 1.00 1.00 H new ATOM 0 HB VAL A 37 -3.176 10.870 1.136 1.00 1.00 H new ATOM 0 HG11 VAL A 37 -5.129 12.328 1.650 1.00 1.00 H new ATOM 0 HG12 VAL A 37 -3.649 13.290 1.421 1.00 1.00 H new ATOM 0 HG13 VAL A 37 -4.869 13.211 0.127 1.00 1.00 H new ATOM 0 HG21 VAL A 37 -5.469 10.197 0.366 1.00 1.00 H new ATOM 0 HG22 VAL A 37 -5.195 11.046 -1.174 1.00 1.00 H new ATOM 0 HG23 VAL A 37 -4.221 9.615 -0.761 1.00 1.00 H new ATOM 540 N GLY A 38 -1.248 12.501 1.225 1.00 1.00 N ATOM 541 CA GLY A 38 -0.221 13.257 1.965 1.00 1.00 C ATOM 542 C GLY A 38 1.035 12.415 2.167 1.00 1.00 C ATOM 543 O GLY A 38 1.202 11.350 1.573 1.00 1.00 O ATOM 0 H GLY A 38 -1.752 11.822 1.796 1.00 1.00 H new ATOM 0 HA2 GLY A 38 0.030 14.167 1.420 1.00 1.00 H new ATOM 0 HA3 GLY A 38 -0.617 13.565 2.933 1.00 1.00 H new ATOM 547 N GLU A 39 1.918 12.910 3.028 1.00 1.00 N ATOM 548 CA GLU A 39 3.194 12.218 3.339 1.00 1.00 C ATOM 549 C GLU A 39 3.391 12.108 4.858 1.00 1.00 C ATOM 550 O GLU A 39 3.082 13.035 5.607 1.00 1.00 O ATOM 551 CB GLU A 39 4.370 12.987 2.683 1.00 1.00 C ATOM 552 CG GLU A 39 4.380 14.466 3.131 1.00 1.00 C ATOM 553 CD GLU A 39 5.519 15.224 2.443 1.00 1.00 C ATOM 554 OE1 GLU A 39 5.379 15.524 1.269 1.00 1.00 O ATOM 555 OE2 GLU A 39 6.514 15.492 3.101 1.00 1.00 O ATOM 0 H GLU A 39 1.786 13.788 3.531 1.00 1.00 H new ATOM 0 HA GLU A 39 3.163 11.207 2.934 1.00 1.00 H new ATOM 0 HB2 GLU A 39 5.314 12.515 2.953 1.00 1.00 H new ATOM 0 HB3 GLU A 39 4.285 12.932 1.598 1.00 1.00 H new ATOM 0 HG2 GLU A 39 3.425 14.933 2.888 1.00 1.00 H new ATOM 0 HG3 GLU A 39 4.497 14.524 4.213 1.00 1.00 H new ATOM 562 N GLU A 40 3.909 10.966 5.299 1.00 1.00 N ATOM 563 CA GLU A 40 4.149 10.722 6.728 1.00 1.00 C ATOM 564 C GLU A 40 5.292 9.714 6.909 1.00 1.00 C ATOM 565 O GLU A 40 5.160 8.542 6.552 1.00 1.00 O ATOM 566 CB GLU A 40 2.845 10.192 7.371 1.00 1.00 C ATOM 567 CG GLU A 40 3.001 10.028 8.903 1.00 1.00 C ATOM 568 CD GLU A 40 1.681 9.575 9.528 1.00 1.00 C ATOM 569 OE1 GLU A 40 1.084 8.653 8.996 1.00 1.00 O ATOM 570 OE2 GLU A 40 1.286 10.155 10.527 1.00 1.00 O ATOM 0 H GLU A 40 4.173 10.191 4.691 1.00 1.00 H new ATOM 0 HA GLU A 40 4.440 11.651 7.218 1.00 1.00 H new ATOM 0 HB2 GLU A 40 2.026 10.879 7.158 1.00 1.00 H new ATOM 0 HB3 GLU A 40 2.581 9.233 6.925 1.00 1.00 H new ATOM 0 HG2 GLU A 40 3.782 9.299 9.119 1.00 1.00 H new ATOM 0 HG3 GLU A 40 3.315 10.973 9.346 1.00 1.00 H new ATOM 577 N GLY A 41 6.400 10.176 7.479 1.00 1.00 N ATOM 578 CA GLY A 41 7.563 9.306 7.708 1.00 1.00 C ATOM 579 C GLY A 41 7.972 8.554 6.425 1.00 1.00 C ATOM 580 O GLY A 41 8.361 9.168 5.431 1.00 1.00 O ATOM 0 H GLY A 41 6.524 11.139 7.791 1.00 1.00 H new ATOM 0 HA2 GLY A 41 8.402 9.905 8.062 1.00 1.00 H new ATOM 0 HA3 GLY A 41 7.331 8.587 8.493 1.00 1.00 H new ATOM 584 N ALA A 42 7.870 7.229 6.464 1.00 1.00 N ATOM 585 CA ALA A 42 8.217 6.368 5.301 1.00 1.00 C ATOM 586 C ALA A 42 6.985 5.603 4.817 1.00 1.00 C ATOM 587 O ALA A 42 7.119 4.544 4.205 1.00 1.00 O ATOM 588 CB ALA A 42 9.324 5.370 5.698 1.00 1.00 C ATOM 0 H ALA A 42 7.551 6.712 7.283 1.00 1.00 H new ATOM 0 HA ALA A 42 8.577 7.005 4.493 1.00 1.00 H new ATOM 0 HB1 ALA A 42 9.573 4.743 4.842 1.00 1.00 H new ATOM 0 HB2 ALA A 42 10.211 5.918 6.016 1.00 1.00 H new ATOM 0 HB3 ALA A 42 8.972 4.743 6.517 1.00 1.00 H new ATOM 594 N PHE A 43 5.800 6.142 5.083 1.00 1.00 N ATOM 595 CA PHE A 43 4.535 5.497 4.664 1.00 1.00 C ATOM 596 C PHE A 43 3.489 6.558 4.299 1.00 1.00 C ATOM 597 O PHE A 43 3.552 7.700 4.755 1.00 1.00 O ATOM 598 CB PHE A 43 3.996 4.612 5.817 1.00 1.00 C ATOM 599 CG PHE A 43 5.113 3.680 6.303 1.00 1.00 C ATOM 600 CD1 PHE A 43 5.993 4.103 7.322 1.00 1.00 C ATOM 601 CD2 PHE A 43 5.284 2.405 5.730 1.00 1.00 C ATOM 602 CE1 PHE A 43 7.018 3.258 7.764 1.00 1.00 C ATOM 603 CE2 PHE A 43 6.315 1.564 6.177 1.00 1.00 C ATOM 604 CZ PHE A 43 7.180 1.991 7.191 1.00 1.00 C ATOM 0 H PHE A 43 5.676 7.021 5.585 1.00 1.00 H new ATOM 0 HA PHE A 43 4.730 4.879 3.788 1.00 1.00 H new ATOM 0 HB2 PHE A 43 3.645 5.237 6.638 1.00 1.00 H new ATOM 0 HB3 PHE A 43 3.142 4.028 5.474 1.00 1.00 H new ATOM 0 HD1 PHE A 43 5.875 5.082 7.762 1.00 1.00 H new ATOM 0 HD2 PHE A 43 4.620 2.074 4.945 1.00 1.00 H new ATOM 0 HE1 PHE A 43 7.685 3.584 8.548 1.00 1.00 H new ATOM 0 HE2 PHE A 43 6.441 0.586 5.738 1.00 1.00 H new ATOM 0 HZ PHE A 43 7.973 1.342 7.532 1.00 1.00 H new ATOM 614 N TYR A 44 2.518 6.156 3.484 1.00 1.00 N ATOM 615 CA TYR A 44 1.433 7.062 3.040 1.00 1.00 C ATOM 616 C TYR A 44 0.103 6.310 2.979 1.00 1.00 C ATOM 617 O TYR A 44 0.040 5.103 3.214 1.00 1.00 O ATOM 618 CB TYR A 44 1.785 7.672 1.663 1.00 1.00 C ATOM 619 CG TYR A 44 2.111 6.565 0.647 1.00 1.00 C ATOM 620 CD1 TYR A 44 3.350 5.893 0.715 1.00 1.00 C ATOM 621 CD2 TYR A 44 1.201 6.221 -0.377 1.00 1.00 C ATOM 622 CE1 TYR A 44 3.667 4.902 -0.223 1.00 1.00 C ATOM 623 CE2 TYR A 44 1.532 5.223 -1.307 1.00 1.00 C ATOM 624 CZ TYR A 44 2.758 4.571 -1.229 1.00 1.00 C ATOM 625 OH TYR A 44 3.070 3.591 -2.147 1.00 1.00 O ATOM 0 H TYR A 44 2.450 5.209 3.110 1.00 1.00 H new ATOM 0 HA TYR A 44 1.330 7.873 3.761 1.00 1.00 H new ATOM 0 HB2 TYR A 44 0.950 8.271 1.300 1.00 1.00 H new ATOM 0 HB3 TYR A 44 2.638 8.343 1.764 1.00 1.00 H new ATOM 0 HD1 TYR A 44 4.056 6.144 1.493 1.00 1.00 H new ATOM 0 HD2 TYR A 44 0.249 6.727 -0.445 1.00 1.00 H new ATOM 0 HE1 TYR A 44 4.618 4.393 -0.168 1.00 1.00 H new ATOM 0 HE2 TYR A 44 0.832 4.960 -2.086 1.00 1.00 H new ATOM 0 HH TYR A 44 2.327 3.485 -2.777 1.00 1.00 H new ATOM 635 N LYS A 45 -0.961 7.042 2.668 1.00 1.00 N ATOM 636 CA LYS A 45 -2.323 6.472 2.586 1.00 1.00 C ATOM 637 C LYS A 45 -2.672 6.137 1.136 1.00 1.00 C ATOM 638 O LYS A 45 -2.202 6.791 0.206 1.00 1.00 O ATOM 639 CB LYS A 45 -3.340 7.501 3.140 1.00 1.00 C ATOM 640 CG LYS A 45 -3.076 7.760 4.650 1.00 1.00 C ATOM 641 CD LYS A 45 -4.115 8.766 5.260 1.00 1.00 C ATOM 642 CE LYS A 45 -3.776 10.235 4.908 1.00 1.00 C ATOM 643 NZ LYS A 45 -2.421 10.571 5.431 1.00 1.00 N ATOM 0 H LYS A 45 -0.917 8.041 2.465 1.00 1.00 H new ATOM 0 HA LYS A 45 -2.363 5.557 3.176 1.00 1.00 H new ATOM 0 HB2 LYS A 45 -3.262 8.436 2.584 1.00 1.00 H new ATOM 0 HB3 LYS A 45 -4.356 7.131 2.999 1.00 1.00 H new ATOM 0 HG2 LYS A 45 -3.121 6.816 5.194 1.00 1.00 H new ATOM 0 HG3 LYS A 45 -2.068 8.155 4.780 1.00 1.00 H new ATOM 0 HD2 LYS A 45 -5.112 8.526 4.891 1.00 1.00 H new ATOM 0 HD3 LYS A 45 -4.140 8.649 6.343 1.00 1.00 H new ATOM 0 HE2 LYS A 45 -3.806 10.378 3.828 1.00 1.00 H new ATOM 0 HE3 LYS A 45 -4.520 10.905 5.339 1.00 1.00 H new ATOM 0 HZ1 LYS A 45 -2.453 11.492 5.912 1.00 1.00 H new ATOM 0 HZ2 LYS A 45 -2.117 9.839 6.104 1.00 1.00 H new ATOM 0 HZ3 LYS A 45 -1.746 10.616 4.641 1.00 1.00 H new ATOM 657 N ILE A 46 -3.498 5.111 0.956 1.00 1.00 N ATOM 658 CA ILE A 46 -3.932 4.679 -0.382 1.00 1.00 C ATOM 659 C ILE A 46 -5.396 4.227 -0.341 1.00 1.00 C ATOM 660 O ILE A 46 -5.944 3.888 0.708 1.00 1.00 O ATOM 661 CB ILE A 46 -3.014 3.529 -0.905 1.00 1.00 C ATOM 662 CG1 ILE A 46 -2.927 2.390 0.153 1.00 1.00 C ATOM 663 CG2 ILE A 46 -1.585 4.075 -1.197 1.00 1.00 C ATOM 664 CD1 ILE A 46 -2.170 1.168 -0.405 1.00 1.00 C ATOM 0 H ILE A 46 -3.886 4.557 1.719 1.00 1.00 H new ATOM 0 HA ILE A 46 -3.849 5.522 -1.069 1.00 1.00 H new ATOM 0 HB ILE A 46 -3.443 3.133 -1.825 1.00 1.00 H new ATOM 0 HG12 ILE A 46 -2.422 2.757 1.046 1.00 1.00 H new ATOM 0 HG13 ILE A 46 -3.931 2.092 0.455 1.00 1.00 H new ATOM 0 HG21 ILE A 46 -0.953 3.265 -1.561 1.00 1.00 H new ATOM 0 HG22 ILE A 46 -1.642 4.858 -1.953 1.00 1.00 H new ATOM 0 HG23 ILE A 46 -1.158 4.485 -0.282 1.00 1.00 H new ATOM 0 HD11 ILE A 46 -2.125 0.389 0.356 1.00 1.00 H new ATOM 0 HD12 ILE A 46 -2.691 0.787 -1.284 1.00 1.00 H new ATOM 0 HD13 ILE A 46 -1.158 1.463 -0.683 1.00 1.00 H new ATOM 676 N GLU A 47 -6.012 4.204 -1.519 1.00 1.00 N ATOM 677 CA GLU A 47 -7.434 3.800 -1.677 1.00 1.00 C ATOM 678 C GLU A 47 -7.527 2.610 -2.640 1.00 1.00 C ATOM 679 O GLU A 47 -7.637 2.796 -3.852 1.00 1.00 O ATOM 680 CB GLU A 47 -8.286 5.025 -2.212 1.00 1.00 C ATOM 681 CG GLU A 47 -7.407 6.045 -2.987 1.00 1.00 C ATOM 682 CD GLU A 47 -6.679 5.364 -4.148 1.00 1.00 C ATOM 683 OE1 GLU A 47 -7.333 5.052 -5.129 1.00 1.00 O ATOM 684 OE2 GLU A 47 -5.481 5.156 -4.033 1.00 1.00 O ATOM 0 H GLU A 47 -5.556 4.460 -2.395 1.00 1.00 H new ATOM 0 HA GLU A 47 -7.837 3.498 -0.710 1.00 1.00 H new ATOM 0 HB2 GLU A 47 -9.079 4.659 -2.864 1.00 1.00 H new ATOM 0 HB3 GLU A 47 -8.769 5.526 -1.373 1.00 1.00 H new ATOM 0 HG2 GLU A 47 -8.031 6.854 -3.367 1.00 1.00 H new ATOM 0 HG3 GLU A 47 -6.681 6.494 -2.310 1.00 1.00 H new ATOM 691 N TYR A 48 -7.495 1.399 -2.092 1.00 1.00 N ATOM 692 CA TYR A 48 -7.580 0.166 -2.905 1.00 1.00 C ATOM 693 C TYR A 48 -8.534 -0.843 -2.249 1.00 1.00 C ATOM 694 O TYR A 48 -8.708 -0.858 -1.030 1.00 1.00 O ATOM 695 CB TYR A 48 -6.153 -0.437 -3.057 1.00 1.00 C ATOM 696 CG TYR A 48 -6.119 -1.429 -4.236 1.00 1.00 C ATOM 697 CD1 TYR A 48 -6.237 -0.940 -5.553 1.00 1.00 C ATOM 698 CD2 TYR A 48 -5.995 -2.820 -4.026 1.00 1.00 C ATOM 699 CE1 TYR A 48 -6.231 -1.827 -6.638 1.00 1.00 C ATOM 700 CE2 TYR A 48 -5.992 -3.697 -5.117 1.00 1.00 C ATOM 701 CZ TYR A 48 -6.109 -3.200 -6.419 1.00 1.00 C ATOM 702 OH TYR A 48 -6.105 -4.069 -7.491 1.00 1.00 O ATOM 0 H TYR A 48 -7.411 1.233 -1.089 1.00 1.00 H new ATOM 0 HA TYR A 48 -7.976 0.403 -3.892 1.00 1.00 H new ATOM 0 HB2 TYR A 48 -5.429 0.361 -3.222 1.00 1.00 H new ATOM 0 HB3 TYR A 48 -5.864 -0.944 -2.136 1.00 1.00 H new ATOM 0 HD1 TYR A 48 -6.332 0.122 -5.726 1.00 1.00 H new ATOM 0 HD2 TYR A 48 -5.902 -3.208 -3.022 1.00 1.00 H new ATOM 0 HE1 TYR A 48 -6.321 -1.448 -7.645 1.00 1.00 H new ATOM 0 HE2 TYR A 48 -5.899 -4.760 -4.953 1.00 1.00 H new ATOM 0 HH TYR A 48 -6.011 -4.989 -7.166 1.00 1.00 H new ATOM 712 N LYS A 49 -9.145 -1.682 -3.077 1.00 1.00 N ATOM 713 CA LYS A 49 -10.097 -2.699 -2.579 1.00 1.00 C ATOM 714 C LYS A 49 -11.194 -2.040 -1.715 1.00 1.00 C ATOM 715 O LYS A 49 -11.881 -2.715 -0.949 1.00 1.00 O ATOM 716 CB LYS A 49 -9.326 -3.805 -1.768 1.00 1.00 C ATOM 717 CG LYS A 49 -8.594 -4.827 -2.719 1.00 1.00 C ATOM 718 CD LYS A 49 -9.532 -5.996 -3.119 1.00 1.00 C ATOM 719 CE LYS A 49 -8.803 -6.976 -4.057 1.00 1.00 C ATOM 720 NZ LYS A 49 -9.719 -8.105 -4.389 1.00 1.00 N ATOM 0 H LYS A 49 -9.008 -1.689 -4.088 1.00 1.00 H new ATOM 0 HA LYS A 49 -10.585 -3.173 -3.431 1.00 1.00 H new ATOM 0 HB2 LYS A 49 -8.595 -3.331 -1.112 1.00 1.00 H new ATOM 0 HB3 LYS A 49 -10.027 -4.342 -1.129 1.00 1.00 H new ATOM 0 HG2 LYS A 49 -8.250 -4.311 -3.615 1.00 1.00 H new ATOM 0 HG3 LYS A 49 -7.709 -5.222 -2.220 1.00 1.00 H new ATOM 0 HD2 LYS A 49 -9.869 -6.521 -2.226 1.00 1.00 H new ATOM 0 HD3 LYS A 49 -10.421 -5.604 -3.613 1.00 1.00 H new ATOM 0 HE2 LYS A 49 -8.492 -6.464 -4.967 1.00 1.00 H new ATOM 0 HE3 LYS A 49 -7.899 -7.353 -3.578 1.00 1.00 H new ATOM 0 HZ1 LYS A 49 -9.233 -8.771 -5.023 1.00 1.00 H new ATOM 0 HZ2 LYS A 49 -9.995 -8.597 -3.515 1.00 1.00 H new ATOM 0 HZ3 LYS A 49 -10.569 -7.735 -4.861 1.00 1.00 H new ATOM 734 N GLY A 50 -11.339 -0.724 -1.847 1.00 1.00 N ATOM 735 CA GLY A 50 -12.340 0.029 -1.084 1.00 1.00 C ATOM 736 C GLY A 50 -11.924 0.148 0.375 1.00 1.00 C ATOM 737 O GLY A 50 -12.610 0.779 1.180 1.00 1.00 O ATOM 0 H GLY A 50 -10.776 -0.152 -2.476 1.00 1.00 H new ATOM 0 HA2 GLY A 50 -12.462 1.023 -1.515 1.00 1.00 H new ATOM 0 HA3 GLY A 50 -13.307 -0.469 -1.152 1.00 1.00 H new ATOM 741 N SER A 51 -10.795 -0.465 0.712 1.00 1.00 N ATOM 742 CA SER A 51 -10.233 -0.469 2.078 1.00 1.00 C ATOM 743 C SER A 51 -8.992 0.418 2.148 1.00 1.00 C ATOM 744 O SER A 51 -8.496 0.903 1.131 1.00 1.00 O ATOM 745 CB SER A 51 -9.850 -1.904 2.466 1.00 1.00 C ATOM 746 OG SER A 51 -9.258 -1.897 3.758 1.00 1.00 O ATOM 0 H SER A 51 -10.228 -0.984 0.041 1.00 1.00 H new ATOM 0 HA SER A 51 -10.984 -0.082 2.767 1.00 1.00 H new ATOM 0 HB2 SER A 51 -10.733 -2.543 2.461 1.00 1.00 H new ATOM 0 HB3 SER A 51 -9.154 -2.317 1.736 1.00 1.00 H new ATOM 0 HG SER A 51 -9.013 -2.812 4.011 1.00 1.00 H new ATOM 752 N HIS A 52 -8.490 0.616 3.363 1.00 1.00 N ATOM 753 CA HIS A 52 -7.288 1.449 3.600 1.00 1.00 C ATOM 754 C HIS A 52 -6.086 0.557 3.943 1.00 1.00 C ATOM 755 O HIS A 52 -6.220 -0.446 4.643 1.00 1.00 O ATOM 756 CB HIS A 52 -7.564 2.435 4.758 1.00 1.00 C ATOM 757 CG HIS A 52 -7.973 1.685 5.996 1.00 1.00 C ATOM 758 ND1 HIS A 52 -9.303 1.470 6.321 1.00 1.00 N ATOM 759 CD2 HIS A 52 -7.242 1.091 6.994 1.00 1.00 C ATOM 760 CE1 HIS A 52 -9.330 0.776 7.473 1.00 1.00 C ATOM 761 NE2 HIS A 52 -8.101 0.520 7.927 1.00 1.00 N ATOM 0 H HIS A 52 -8.890 0.214 4.211 1.00 1.00 H new ATOM 0 HA HIS A 52 -7.057 2.012 2.695 1.00 1.00 H new ATOM 0 HB2 HIS A 52 -6.671 3.027 4.961 1.00 1.00 H new ATOM 0 HB3 HIS A 52 -8.351 3.133 4.471 1.00 1.00 H new ATOM 0 HD2 HIS A 52 -6.163 1.070 7.047 1.00 1.00 H new ATOM 0 HE1 HIS A 52 -10.236 0.464 7.970 1.00 1.00 H new ATOM 0 HE2 HIS A 52 -7.847 0.014 8.776 1.00 1.00 H new ATOM 770 N GLY A 53 -4.915 0.942 3.447 1.00 1.00 N ATOM 771 CA GLY A 53 -3.679 0.180 3.690 1.00 1.00 C ATOM 772 C GLY A 53 -2.464 1.091 3.678 1.00 1.00 C ATOM 773 O GLY A 53 -2.554 2.260 3.304 1.00 1.00 O ATOM 0 H GLY A 53 -4.788 1.776 2.874 1.00 1.00 H new ATOM 0 HA2 GLY A 53 -3.746 -0.330 4.651 1.00 1.00 H new ATOM 0 HA3 GLY A 53 -3.567 -0.591 2.927 1.00 1.00 H new ATOM 777 N TYR A 54 -1.322 0.550 4.093 1.00 1.00 N ATOM 778 CA TYR A 54 -0.054 1.312 4.130 1.00 1.00 C ATOM 779 C TYR A 54 1.085 0.483 3.517 1.00 1.00 C ATOM 780 O TYR A 54 1.136 -0.741 3.646 1.00 1.00 O ATOM 781 CB TYR A 54 0.280 1.698 5.589 1.00 1.00 C ATOM 782 CG TYR A 54 -0.804 2.643 6.133 1.00 1.00 C ATOM 783 CD1 TYR A 54 -2.047 2.120 6.536 1.00 1.00 C ATOM 784 CD2 TYR A 54 -0.579 4.035 6.215 1.00 1.00 C ATOM 785 CE1 TYR A 54 -3.047 2.974 7.021 1.00 1.00 C ATOM 786 CE2 TYR A 54 -1.584 4.882 6.700 1.00 1.00 C ATOM 787 CZ TYR A 54 -2.815 4.351 7.103 1.00 1.00 C ATOM 788 OH TYR A 54 -3.801 5.190 7.579 1.00 1.00 O ATOM 0 H TYR A 54 -1.237 -0.415 4.411 1.00 1.00 H new ATOM 0 HA TYR A 54 -0.168 2.223 3.542 1.00 1.00 H new ATOM 0 HB2 TYR A 54 0.340 0.803 6.208 1.00 1.00 H new ATOM 0 HB3 TYR A 54 1.255 2.183 5.634 1.00 1.00 H new ATOM 0 HD1 TYR A 54 -2.231 1.058 6.471 1.00 1.00 H new ATOM 0 HD2 TYR A 54 0.369 4.447 5.903 1.00 1.00 H new ATOM 0 HE1 TYR A 54 -3.998 2.568 7.332 1.00 1.00 H new ATOM 0 HE2 TYR A 54 -1.409 5.946 6.763 1.00 1.00 H new ATOM 0 HH TYR A 54 -3.476 6.114 7.571 1.00 1.00 H new ATOM 798 N VAL A 55 2.003 1.180 2.856 1.00 1.00 N ATOM 799 CA VAL A 55 3.158 0.524 2.204 1.00 1.00 C ATOM 800 C VAL A 55 4.392 1.443 2.276 1.00 1.00 C ATOM 801 O VAL A 55 4.289 2.670 2.257 1.00 1.00 O ATOM 802 CB VAL A 55 2.815 0.190 0.710 1.00 1.00 C ATOM 803 CG1 VAL A 55 1.903 -1.061 0.608 1.00 1.00 C ATOM 804 CG2 VAL A 55 2.103 1.395 0.055 1.00 1.00 C ATOM 0 H VAL A 55 1.981 2.194 2.751 1.00 1.00 H new ATOM 0 HA VAL A 55 3.381 -0.406 2.727 1.00 1.00 H new ATOM 0 HB VAL A 55 3.749 -0.020 0.189 1.00 1.00 H new ATOM 0 HG11 VAL A 55 1.683 -1.267 -0.440 1.00 1.00 H new ATOM 0 HG12 VAL A 55 2.412 -1.919 1.047 1.00 1.00 H new ATOM 0 HG13 VAL A 55 0.972 -0.877 1.145 1.00 1.00 H new ATOM 0 HG21 VAL A 55 1.867 1.158 -0.982 1.00 1.00 H new ATOM 0 HG22 VAL A 55 1.182 1.612 0.596 1.00 1.00 H new ATOM 0 HG23 VAL A 55 2.757 2.266 0.088 1.00 1.00 H new ATOM 814 N ALA A 56 5.560 0.816 2.364 1.00 1.00 N ATOM 815 CA ALA A 56 6.825 1.554 2.441 1.00 1.00 C ATOM 816 C ALA A 56 7.090 2.304 1.128 1.00 1.00 C ATOM 817 O ALA A 56 6.718 1.841 0.049 1.00 1.00 O ATOM 818 CB ALA A 56 7.968 0.565 2.726 1.00 1.00 C ATOM 0 H ALA A 56 5.662 -0.199 2.384 1.00 1.00 H new ATOM 0 HA ALA A 56 6.766 2.287 3.246 1.00 1.00 H new ATOM 0 HB1 ALA A 56 8.912 1.107 2.785 1.00 1.00 H new ATOM 0 HB2 ALA A 56 7.782 0.057 3.672 1.00 1.00 H new ATOM 0 HB3 ALA A 56 8.021 -0.171 1.923 1.00 1.00 H new ATOM 824 N LYS A 57 7.736 3.462 1.234 1.00 1.00 N ATOM 825 CA LYS A 57 8.061 4.288 0.054 1.00 1.00 C ATOM 826 C LYS A 57 9.341 3.777 -0.622 1.00 1.00 C ATOM 827 O LYS A 57 9.542 3.975 -1.820 1.00 1.00 O ATOM 828 CB LYS A 57 8.243 5.761 0.496 1.00 1.00 C ATOM 829 CG LYS A 57 6.899 6.340 1.004 1.00 1.00 C ATOM 830 CD LYS A 57 7.084 7.809 1.447 1.00 1.00 C ATOM 831 CE LYS A 57 5.747 8.408 1.912 1.00 1.00 C ATOM 832 NZ LYS A 57 5.959 9.822 2.333 1.00 1.00 N ATOM 0 H LYS A 57 8.049 3.857 2.121 1.00 1.00 H new ATOM 0 HA LYS A 57 7.245 4.222 -0.665 1.00 1.00 H new ATOM 0 HB2 LYS A 57 8.994 5.821 1.284 1.00 1.00 H new ATOM 0 HB3 LYS A 57 8.610 6.356 -0.340 1.00 1.00 H new ATOM 0 HG2 LYS A 57 6.149 6.282 0.216 1.00 1.00 H new ATOM 0 HG3 LYS A 57 6.531 5.744 1.839 1.00 1.00 H new ATOM 0 HD2 LYS A 57 7.813 7.861 2.256 1.00 1.00 H new ATOM 0 HD3 LYS A 57 7.483 8.396 0.620 1.00 1.00 H new ATOM 0 HE2 LYS A 57 5.015 8.363 1.105 1.00 1.00 H new ATOM 0 HE3 LYS A 57 5.344 7.826 2.741 1.00 1.00 H new ATOM 0 HZ1 LYS A 57 5.056 10.230 2.648 1.00 1.00 H new ATOM 0 HZ2 LYS A 57 6.644 9.852 3.115 1.00 1.00 H new ATOM 0 HZ3 LYS A 57 6.326 10.372 1.530 1.00 1.00 H new ATOM 846 N GLU A 58 10.195 3.122 0.157 1.00 1.00 N ATOM 847 CA GLU A 58 11.466 2.588 -0.373 1.00 1.00 C ATOM 848 C GLU A 58 11.206 1.634 -1.559 1.00 1.00 C ATOM 849 O GLU A 58 11.985 1.569 -2.510 1.00 1.00 O ATOM 850 CB GLU A 58 12.246 1.861 0.777 1.00 1.00 C ATOM 851 CG GLU A 58 13.779 1.883 0.538 1.00 1.00 C ATOM 852 CD GLU A 58 14.127 1.191 -0.780 1.00 1.00 C ATOM 853 OE1 GLU A 58 13.572 0.137 -1.038 1.00 1.00 O ATOM 854 OE2 GLU A 58 14.941 1.730 -1.515 1.00 1.00 O ATOM 0 H GLU A 58 10.042 2.944 1.150 1.00 1.00 H new ATOM 0 HA GLU A 58 12.075 3.412 -0.744 1.00 1.00 H new ATOM 0 HB2 GLU A 58 12.020 2.341 1.729 1.00 1.00 H new ATOM 0 HB3 GLU A 58 11.905 0.829 0.851 1.00 1.00 H new ATOM 0 HG2 GLU A 58 14.135 2.913 0.519 1.00 1.00 H new ATOM 0 HG3 GLU A 58 14.288 1.384 1.363 1.00 1.00 H new ATOM 861 N TYR A 59 10.098 0.905 -1.478 1.00 1.00 N ATOM 862 CA TYR A 59 9.728 -0.048 -2.552 1.00 1.00 C ATOM 863 C TYR A 59 9.113 0.708 -3.740 1.00 1.00 C ATOM 864 O TYR A 59 8.824 0.108 -4.776 1.00 1.00 O ATOM 865 CB TYR A 59 8.718 -1.093 -1.998 1.00 1.00 C ATOM 866 CG TYR A 59 9.443 -2.145 -1.136 1.00 1.00 C ATOM 867 CD1 TYR A 59 9.975 -1.774 0.111 1.00 1.00 C ATOM 868 CD2 TYR A 59 9.580 -3.483 -1.576 1.00 1.00 C ATOM 869 CE1 TYR A 59 10.630 -2.723 0.909 1.00 1.00 C ATOM 870 CE2 TYR A 59 10.237 -4.424 -0.771 1.00 1.00 C ATOM 871 CZ TYR A 59 10.760 -4.043 0.466 1.00 1.00 C ATOM 872 OH TYR A 59 11.404 -4.974 1.253 1.00 1.00 O ATOM 0 H TYR A 59 9.441 0.944 -0.699 1.00 1.00 H new ATOM 0 HA TYR A 59 10.623 -0.566 -2.896 1.00 1.00 H new ATOM 0 HB2 TYR A 59 7.956 -0.590 -1.403 1.00 1.00 H new ATOM 0 HB3 TYR A 59 8.204 -1.584 -2.825 1.00 1.00 H new ATOM 0 HD1 TYR A 59 9.879 -0.755 0.456 1.00 1.00 H new ATOM 0 HD2 TYR A 59 9.178 -3.780 -2.533 1.00 1.00 H new ATOM 0 HE1 TYR A 59 11.035 -2.434 1.868 1.00 1.00 H new ATOM 0 HE2 TYR A 59 10.339 -5.445 -1.108 1.00 1.00 H new ATOM 0 HH TYR A 59 11.406 -5.842 0.798 1.00 1.00 H new ATOM 882 N ILE A 60 8.922 2.014 -3.584 1.00 1.00 N ATOM 883 CA ILE A 60 8.336 2.869 -4.650 1.00 1.00 C ATOM 884 C ILE A 60 9.436 3.729 -5.278 1.00 1.00 C ATOM 885 O ILE A 60 9.855 3.414 -6.382 1.00 1.00 O ATOM 886 CB ILE A 60 7.227 3.776 -4.040 1.00 1.00 C ATOM 887 CG1 ILE A 60 6.231 2.914 -3.200 1.00 1.00 C ATOM 888 CG2 ILE A 60 6.466 4.539 -5.155 1.00 1.00 C ATOM 889 CD1 ILE A 60 5.585 1.771 -4.020 1.00 1.00 C ATOM 890 OXT ILE A 60 9.839 4.688 -4.644 1.00 1.00 O ATOM 0 H ILE A 60 9.161 2.520 -2.731 1.00 1.00 H new ATOM 0 HA ILE A 60 7.893 2.240 -5.422 1.00 1.00 H new ATOM 0 HB ILE A 60 7.701 4.508 -3.387 1.00 1.00 H new ATOM 0 HG12 ILE A 60 6.757 2.489 -2.345 1.00 1.00 H new ATOM 0 HG13 ILE A 60 5.446 3.558 -2.803 1.00 1.00 H new ATOM 0 HG21 ILE A 60 5.696 5.166 -4.706 1.00 1.00 H new ATOM 0 HG22 ILE A 60 7.165 5.164 -5.710 1.00 1.00 H new ATOM 0 HG23 ILE A 60 6.001 3.824 -5.833 1.00 1.00 H new ATOM 0 HD11 ILE A 60 4.903 1.207 -3.384 1.00 1.00 H new ATOM 0 HD12 ILE A 60 5.033 2.193 -4.860 1.00 1.00 H new ATOM 0 HD13 ILE A 60 6.364 1.107 -4.395 1.00 1.00 H new TER 902 ILE A 60