USER MOD reduce.3.24.130724 H: found=0, std=0, add=532, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 532 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 53 SER OG : rot 180:sc= 1.21 USER MOD Set 1.2: A 56 THR OG1 : rot 79:sc= 1.02 USER MOD Set 2.1: A 42 ASN : amide:sc= 0.071 K(o=0.54,f=-2.5!) USER MOD Set 2.2: A 44 THR OG1 : rot 65:sc= 0.465 USER MOD Set 3.1: A 37 SER OG : rot 150:sc= 0.487 USER MOD Set 3.2: A 40 ASN : amide:sc= 0 X(o=0.49,f=0.046) USER MOD Set 4.1: A 14 CYS SG : rot 180:sc= 0.0159 USER MOD Set 4.2: A 17 CYS SG : rot 64:sc= 0.0719 USER MOD Single : A 1 LEU N :NH3+ -141:sc= 0.00718 (180deg=-0.126) USER MOD Single : A 2 THR OG1 : rot 46:sc= 0.529 USER MOD Single : A 3 GLN : amide:sc= -0.0532 X(o=-0.053,f=-0.5) USER MOD Single : A 5 THR OG1 : rot -150:sc= 0 USER MOD Single : A 8 ASN : amide:sc= 0.187 X(o=0.19,f=-0.0051) USER MOD Single : A 12 MET CE :methyl -178:sc= -0.118 (180deg=-0.121) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= -1.31 X(o=-1.3,f=-1.4) USER MOD Single : A 20 SER OG : rot 79:sc= 0.908 USER MOD Single : A 26 SER OG : rot -86:sc= 0.501 USER MOD Single : A 27 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0353) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0357) USER MOD Single : A 33 SER OG : rot -76:sc= 0.959 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0.0348 USER MOD Single : A 64 MET CE :methyl 151:sc= 0 (180deg=-0.4) USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.0322 USER MOD Single : A 71 SER OG : rot 46:sc= 0.339 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 4.560 -24.660 2.593 1.00 0.00 N ATOM 2 CA LEU A 1 3.785 -24.088 1.474 1.00 0.00 C ATOM 3 C LEU A 1 4.041 -22.583 1.337 1.00 0.00 C ATOM 4 O LEU A 1 4.835 -22.018 2.087 1.00 0.00 O ATOM 5 CB LEU A 1 2.282 -24.386 1.621 1.00 0.00 C ATOM 6 CG LEU A 1 1.938 -25.862 1.884 1.00 0.00 C ATOM 7 CD1 LEU A 1 0.418 -26.000 2.017 1.00 0.00 C ATOM 8 CD2 LEU A 1 2.434 -26.776 0.756 1.00 0.00 C ATOM 0 H1 LEU A 1 4.921 -25.597 2.322 1.00 0.00 H new ATOM 0 H2 LEU A 1 5.359 -24.033 2.818 1.00 0.00 H new ATOM 0 H3 LEU A 1 3.947 -24.753 3.428 1.00 0.00 H new ATOM 0 HA LEU A 1 4.126 -24.569 0.557 1.00 0.00 H new ATOM 0 HB2 LEU A 1 1.885 -23.784 2.439 1.00 0.00 H new ATOM 0 HB3 LEU A 1 1.772 -24.065 0.713 1.00 0.00 H new ATOM 0 HG LEU A 1 2.437 -26.169 2.803 1.00 0.00 H new ATOM 0 HD11 LEU A 1 0.162 -27.043 2.204 1.00 0.00 H new ATOM 0 HD12 LEU A 1 0.068 -25.386 2.847 1.00 0.00 H new ATOM 0 HD13 LEU A 1 -0.059 -25.669 1.095 1.00 0.00 H new ATOM 0 HD21 LEU A 1 2.170 -27.809 0.982 1.00 0.00 H new ATOM 0 HD22 LEU A 1 1.968 -26.480 -0.184 1.00 0.00 H new ATOM 0 HD23 LEU A 1 3.517 -26.689 0.667 1.00 0.00 H new ATOM 22 N THR A 2 3.371 -21.938 0.373 1.00 0.00 N ATOM 23 CA THR A 2 3.488 -20.512 0.096 1.00 0.00 C ATOM 24 C THR A 2 2.079 -19.945 -0.091 1.00 0.00 C ATOM 25 O THR A 2 1.593 -19.839 -1.216 1.00 0.00 O ATOM 26 CB THR A 2 4.377 -20.287 -1.140 1.00 0.00 C ATOM 27 OG1 THR A 2 3.876 -20.996 -2.254 1.00 0.00 O ATOM 28 CG2 THR A 2 5.820 -20.735 -0.886 1.00 0.00 C ATOM 0 H THR A 2 2.716 -22.412 -0.249 1.00 0.00 H new ATOM 0 HA THR A 2 3.966 -19.991 0.926 1.00 0.00 H new ATOM 0 HB THR A 2 4.366 -19.217 -1.345 1.00 0.00 H new ATOM 0 HG1 THR A 2 2.909 -20.854 -2.324 1.00 0.00 H new ATOM 0 HG21 THR A 2 6.418 -20.561 -1.781 1.00 0.00 H new ATOM 0 HG22 THR A 2 6.237 -20.166 -0.055 1.00 0.00 H new ATOM 0 HG23 THR A 2 5.834 -21.797 -0.642 1.00 0.00 H new ATOM 36 N GLN A 3 1.427 -19.593 1.023 1.00 0.00 N ATOM 37 CA GLN A 3 0.055 -19.106 1.055 1.00 0.00 C ATOM 38 C GLN A 3 0.042 -17.596 1.295 1.00 0.00 C ATOM 39 O GLN A 3 1.086 -16.998 1.535 1.00 0.00 O ATOM 40 CB GLN A 3 -0.722 -19.851 2.151 1.00 0.00 C ATOM 41 CG GLN A 3 -0.634 -21.378 2.009 1.00 0.00 C ATOM 42 CD GLN A 3 -1.029 -21.870 0.619 1.00 0.00 C ATOM 43 OE1 GLN A 3 -0.195 -22.392 -0.116 1.00 0.00 O ATOM 44 NE2 GLN A 3 -2.301 -21.705 0.256 1.00 0.00 N ATOM 0 H GLN A 3 1.855 -19.642 1.947 1.00 0.00 H new ATOM 0 HA GLN A 3 -0.428 -19.296 0.097 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -0.335 -19.558 3.127 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -1.768 -19.547 2.119 1.00 0.00 H new ATOM 0 HG2 GLN A 3 0.384 -21.700 2.227 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -1.281 -21.845 2.751 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -2.962 -21.266 0.898 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -2.614 -22.017 -0.663 1.00 0.00 H new ATOM 53 N GLU A 4 -1.146 -16.981 1.225 1.00 0.00 N ATOM 54 CA GLU A 4 -1.339 -15.562 1.484 1.00 0.00 C ATOM 55 C GLU A 4 -2.636 -15.355 2.263 1.00 0.00 C ATOM 56 O GLU A 4 -3.598 -16.098 2.069 1.00 0.00 O ATOM 57 CB GLU A 4 -1.319 -14.784 0.160 1.00 0.00 C ATOM 58 CG GLU A 4 -1.370 -13.266 0.376 1.00 0.00 C ATOM 59 CD GLU A 4 -1.199 -12.510 -0.938 1.00 0.00 C ATOM 60 OE1 GLU A 4 -0.028 -12.296 -1.322 1.00 0.00 O ATOM 61 OE2 GLU A 4 -2.241 -12.160 -1.533 1.00 0.00 O ATOM 0 H GLU A 4 -2.008 -17.469 0.983 1.00 0.00 H new ATOM 0 HA GLU A 4 -0.525 -15.177 2.097 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -0.417 -15.040 -0.395 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -2.167 -15.090 -0.452 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -2.322 -12.994 0.833 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -0.586 -12.970 1.073 1.00 0.00 H new ATOM 68 N THR A 5 -2.647 -14.354 3.151 1.00 0.00 N ATOM 69 CA THR A 5 -3.796 -13.996 3.970 1.00 0.00 C ATOM 70 C THR A 5 -3.949 -12.477 4.006 1.00 0.00 C ATOM 71 O THR A 5 -2.962 -11.753 4.148 1.00 0.00 O ATOM 72 CB THR A 5 -3.662 -14.606 5.377 1.00 0.00 C ATOM 73 OG1 THR A 5 -4.806 -14.299 6.146 1.00 0.00 O ATOM 74 CG2 THR A 5 -2.418 -14.130 6.139 1.00 0.00 C ATOM 0 H THR A 5 -1.835 -13.760 3.319 1.00 0.00 H new ATOM 0 HA THR A 5 -4.704 -14.409 3.531 1.00 0.00 H new ATOM 0 HB THR A 5 -3.561 -15.681 5.229 1.00 0.00 H new ATOM 0 HG1 THR A 5 -4.558 -14.243 7.093 1.00 0.00 H new ATOM 0 HG21 THR A 5 -2.391 -14.601 7.121 1.00 0.00 H new ATOM 0 HG22 THR A 5 -1.523 -14.403 5.580 1.00 0.00 H new ATOM 0 HG23 THR A 5 -2.456 -13.047 6.257 1.00 0.00 H new ATOM 82 N VAL A 6 -5.197 -12.007 3.882 1.00 0.00 N ATOM 83 CA VAL A 6 -5.575 -10.615 4.053 1.00 0.00 C ATOM 84 C VAL A 6 -6.154 -10.487 5.457 1.00 0.00 C ATOM 85 O VAL A 6 -7.251 -10.976 5.725 1.00 0.00 O ATOM 86 CB VAL A 6 -6.593 -10.191 2.977 1.00 0.00 C ATOM 87 CG1 VAL A 6 -7.075 -8.753 3.212 1.00 0.00 C ATOM 88 CG2 VAL A 6 -5.968 -10.262 1.578 1.00 0.00 C ATOM 0 H VAL A 6 -5.988 -12.609 3.653 1.00 0.00 H new ATOM 0 HA VAL A 6 -4.715 -9.955 3.937 1.00 0.00 H new ATOM 0 HB VAL A 6 -7.436 -10.879 3.045 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -7.793 -8.479 2.439 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -7.551 -8.684 4.190 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -6.224 -8.073 3.175 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -6.705 -9.958 0.834 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -5.107 -9.595 1.530 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -5.647 -11.284 1.374 1.00 0.00 H new ATOM 98 N ILE A 7 -5.414 -9.826 6.349 1.00 0.00 N ATOM 99 CA ILE A 7 -5.874 -9.512 7.689 1.00 0.00 C ATOM 100 C ILE A 7 -6.330 -8.061 7.652 1.00 0.00 C ATOM 101 O ILE A 7 -5.536 -7.184 7.338 1.00 0.00 O ATOM 102 CB ILE A 7 -4.752 -9.749 8.716 1.00 0.00 C ATOM 103 CG1 ILE A 7 -4.250 -11.200 8.580 1.00 0.00 C ATOM 104 CG2 ILE A 7 -5.281 -9.459 10.131 1.00 0.00 C ATOM 105 CD1 ILE A 7 -3.212 -11.597 9.630 1.00 0.00 C ATOM 0 H ILE A 7 -4.470 -9.493 6.152 1.00 0.00 H new ATOM 0 HA ILE A 7 -6.697 -10.156 7.999 1.00 0.00 H new ATOM 0 HB ILE A 7 -3.914 -9.077 8.531 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -5.101 -11.877 8.651 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -3.818 -11.333 7.588 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -4.486 -9.627 10.858 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -5.614 -8.423 10.190 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -6.118 -10.122 10.349 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -2.908 -12.631 9.468 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -2.342 -10.946 9.546 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -3.645 -11.498 10.625 1.00 0.00 H new ATOM 117 N ASN A 8 -7.604 -7.807 7.956 1.00 0.00 N ATOM 118 CA ASN A 8 -8.160 -6.466 8.035 1.00 0.00 C ATOM 119 C ASN A 8 -7.605 -5.800 9.291 1.00 0.00 C ATOM 120 O ASN A 8 -7.756 -6.350 10.380 1.00 0.00 O ATOM 121 CB ASN A 8 -9.692 -6.523 8.086 1.00 0.00 C ATOM 122 CG ASN A 8 -10.272 -7.333 6.929 1.00 0.00 C ATOM 123 OD1 ASN A 8 -10.517 -6.795 5.852 1.00 0.00 O ATOM 124 ND2 ASN A 8 -10.493 -8.630 7.150 1.00 0.00 N ATOM 0 H ASN A 8 -8.283 -8.541 8.156 1.00 0.00 H new ATOM 0 HA ASN A 8 -7.882 -5.890 7.152 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -10.007 -6.964 9.032 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -10.094 -5.510 8.057 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -10.880 -9.215 6.409 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -10.275 -9.037 8.060 1.00 0.00 H new ATOM 131 N ILE A 9 -6.959 -4.640 9.133 1.00 0.00 N ATOM 132 CA ILE A 9 -6.318 -3.896 10.208 1.00 0.00 C ATOM 133 C ILE A 9 -6.924 -2.497 10.217 1.00 0.00 C ATOM 134 O ILE A 9 -6.808 -1.778 9.227 1.00 0.00 O ATOM 135 CB ILE A 9 -4.791 -3.822 10.000 1.00 0.00 C ATOM 136 CG1 ILE A 9 -4.168 -5.215 9.830 1.00 0.00 C ATOM 137 CG2 ILE A 9 -4.148 -3.104 11.196 1.00 0.00 C ATOM 138 CD1 ILE A 9 -2.654 -5.168 9.600 1.00 0.00 C ATOM 0 H ILE A 9 -6.868 -4.185 8.225 1.00 0.00 H new ATOM 0 HA ILE A 9 -6.485 -4.396 11.162 1.00 0.00 H new ATOM 0 HB ILE A 9 -4.602 -3.265 9.083 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -4.377 -5.812 10.718 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -4.643 -5.719 8.988 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -3.069 -3.051 11.051 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -4.554 -2.095 11.276 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -4.364 -3.656 12.111 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -2.271 -6.182 9.487 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -2.441 -4.597 8.696 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -2.171 -4.691 10.453 1.00 0.00 H new ATOM 150 N ASP A 10 -7.556 -2.112 11.332 1.00 0.00 N ATOM 151 CA ASP A 10 -8.071 -0.763 11.532 1.00 0.00 C ATOM 152 C ASP A 10 -7.370 -0.114 12.727 1.00 0.00 C ATOM 153 O ASP A 10 -6.805 -0.802 13.579 1.00 0.00 O ATOM 154 CB ASP A 10 -9.598 -0.788 11.671 1.00 0.00 C ATOM 155 CG ASP A 10 -10.256 -1.309 10.395 1.00 0.00 C ATOM 156 OD1 ASP A 10 -10.480 -0.476 9.490 1.00 0.00 O ATOM 157 OD2 ASP A 10 -10.517 -2.531 10.343 1.00 0.00 O ATOM 0 H ASP A 10 -7.723 -2.735 12.122 1.00 0.00 H new ATOM 0 HA ASP A 10 -7.852 -0.148 10.659 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -9.880 -1.420 12.513 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -9.963 0.216 11.889 1.00 0.00 H new ATOM 162 N GLY A 11 -7.388 1.223 12.756 1.00 0.00 N ATOM 163 CA GLY A 11 -6.617 2.041 13.682 1.00 0.00 C ATOM 164 C GLY A 11 -5.254 2.438 13.102 1.00 0.00 C ATOM 165 O GLY A 11 -4.376 2.866 13.850 1.00 0.00 O ATOM 0 H GLY A 11 -7.957 1.776 12.115 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -7.182 2.940 13.928 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -6.469 1.493 14.613 1.00 0.00 H new ATOM 169 N MET A 12 -5.073 2.307 11.780 1.00 0.00 N ATOM 170 CA MET A 12 -3.847 2.663 11.076 1.00 0.00 C ATOM 171 C MET A 12 -3.846 4.176 10.836 1.00 0.00 C ATOM 172 O MET A 12 -4.020 4.635 9.709 1.00 0.00 O ATOM 173 CB MET A 12 -3.771 1.892 9.750 1.00 0.00 C ATOM 174 CG MET A 12 -3.808 0.371 9.928 1.00 0.00 C ATOM 175 SD MET A 12 -3.913 -0.555 8.371 1.00 0.00 S ATOM 176 CE MET A 12 -2.255 -0.291 7.707 1.00 0.00 C ATOM 0 H MET A 12 -5.797 1.941 11.162 1.00 0.00 H new ATOM 0 HA MET A 12 -2.973 2.396 11.670 1.00 0.00 H new ATOM 0 HB2 MET A 12 -4.602 2.196 9.113 1.00 0.00 H new ATOM 0 HB3 MET A 12 -2.853 2.167 9.230 1.00 0.00 H new ATOM 0 HG2 MET A 12 -2.913 0.057 10.465 1.00 0.00 H new ATOM 0 HG3 MET A 12 -4.663 0.110 10.552 1.00 0.00 H new ATOM 0 HE1 MET A 12 -2.173 -0.770 6.732 1.00 0.00 H new ATOM 0 HE2 MET A 12 -2.071 0.778 7.602 1.00 0.00 H new ATOM 0 HE3 MET A 12 -1.519 -0.721 8.386 1.00 0.00 H new ATOM 186 N THR A 13 -3.670 4.950 11.912 1.00 0.00 N ATOM 187 CA THR A 13 -3.858 6.394 11.906 1.00 0.00 C ATOM 188 C THR A 13 -2.892 7.144 10.976 1.00 0.00 C ATOM 189 O THR A 13 -3.258 8.203 10.468 1.00 0.00 O ATOM 190 CB THR A 13 -3.852 6.934 13.347 1.00 0.00 C ATOM 191 OG1 THR A 13 -4.113 8.323 13.349 1.00 0.00 O ATOM 192 CG2 THR A 13 -2.541 6.680 14.095 1.00 0.00 C ATOM 0 H THR A 13 -3.389 4.581 12.820 1.00 0.00 H new ATOM 0 HA THR A 13 -4.839 6.591 11.474 1.00 0.00 H new ATOM 0 HB THR A 13 -4.636 6.387 13.871 1.00 0.00 H new ATOM 0 HG1 THR A 13 -4.108 8.655 14.271 1.00 0.00 H new ATOM 0 HG21 THR A 13 -2.612 7.089 15.103 1.00 0.00 H new ATOM 0 HG22 THR A 13 -2.356 5.607 14.150 1.00 0.00 H new ATOM 0 HG23 THR A 13 -1.720 7.163 13.565 1.00 0.00 H new ATOM 200 N CYS A 14 -1.677 6.624 10.745 1.00 0.00 N ATOM 201 CA CYS A 14 -0.670 7.308 9.939 1.00 0.00 C ATOM 202 C CYS A 14 0.322 6.325 9.314 1.00 0.00 C ATOM 203 O CYS A 14 0.264 5.122 9.563 1.00 0.00 O ATOM 204 CB CYS A 14 0.039 8.366 10.796 1.00 0.00 C ATOM 205 SG CYS A 14 0.898 7.577 12.182 1.00 0.00 S ATOM 0 H CYS A 14 -1.372 5.723 11.112 1.00 0.00 H new ATOM 0 HA CYS A 14 -1.168 7.807 9.108 1.00 0.00 H new ATOM 0 HB2 CYS A 14 0.752 8.921 10.186 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -0.688 9.086 11.172 1.00 0.00 H new ATOM 0 HG CYS A 14 1.494 8.485 12.896 1.00 0.00 H new ATOM 211 N ASN A 15 1.237 6.849 8.489 1.00 0.00 N ATOM 212 CA ASN A 15 2.246 6.071 7.781 1.00 0.00 C ATOM 213 C ASN A 15 3.266 5.432 8.728 1.00 0.00 C ATOM 214 O ASN A 15 3.890 4.438 8.366 1.00 0.00 O ATOM 215 CB ASN A 15 2.949 6.958 6.748 1.00 0.00 C ATOM 216 CG ASN A 15 1.964 7.506 5.718 1.00 0.00 C ATOM 217 OD1 ASN A 15 1.590 8.675 5.776 1.00 0.00 O ATOM 218 ND2 ASN A 15 1.537 6.663 4.776 1.00 0.00 N ATOM 0 H ASN A 15 1.293 7.849 8.295 1.00 0.00 H new ATOM 0 HA ASN A 15 1.736 5.252 7.274 1.00 0.00 H new ATOM 0 HB2 ASN A 15 3.445 7.786 7.255 1.00 0.00 H new ATOM 0 HB3 ASN A 15 3.725 6.384 6.242 1.00 0.00 H new ATOM 0 HD21 ASN A 15 0.875 6.982 4.068 1.00 0.00 H new ATOM 0 HD22 ASN A 15 1.872 5.700 4.763 1.00 0.00 H new ATOM 225 N SER A 16 3.436 5.977 9.939 1.00 0.00 N ATOM 226 CA SER A 16 4.254 5.353 10.969 1.00 0.00 C ATOM 227 C SER A 16 3.671 3.990 11.357 1.00 0.00 C ATOM 228 O SER A 16 4.430 3.062 11.627 1.00 0.00 O ATOM 229 CB SER A 16 4.376 6.272 12.189 1.00 0.00 C ATOM 230 OG SER A 16 5.366 5.781 13.068 1.00 0.00 O ATOM 0 H SER A 16 3.010 6.859 10.225 1.00 0.00 H new ATOM 0 HA SER A 16 5.256 5.192 10.572 1.00 0.00 H new ATOM 0 HB2 SER A 16 4.631 7.282 11.869 1.00 0.00 H new ATOM 0 HB3 SER A 16 3.418 6.333 12.705 1.00 0.00 H new ATOM 0 HG SER A 16 5.438 6.375 13.844 1.00 0.00 H new ATOM 236 N CYS A 17 2.335 3.860 11.374 1.00 0.00 N ATOM 237 CA CYS A 17 1.673 2.587 11.631 1.00 0.00 C ATOM 238 C CYS A 17 2.041 1.581 10.540 1.00 0.00 C ATOM 239 O CYS A 17 2.437 0.462 10.851 1.00 0.00 O ATOM 240 CB CYS A 17 0.149 2.743 11.718 1.00 0.00 C ATOM 241 SG CYS A 17 -0.306 3.961 12.980 1.00 0.00 S ATOM 0 H CYS A 17 1.693 4.635 11.210 1.00 0.00 H new ATOM 0 HA CYS A 17 2.019 2.219 12.597 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -0.245 3.052 10.750 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -0.306 1.781 11.955 1.00 0.00 H new ATOM 0 HG CYS A 17 0.137 5.133 12.632 1.00 0.00 H new ATOM 247 N VAL A 18 1.920 1.994 9.271 1.00 0.00 N ATOM 248 CA VAL A 18 2.260 1.180 8.109 1.00 0.00 C ATOM 249 C VAL A 18 3.697 0.669 8.233 1.00 0.00 C ATOM 250 O VAL A 18 3.938 -0.533 8.127 1.00 0.00 O ATOM 251 CB VAL A 18 2.067 1.993 6.814 1.00 0.00 C ATOM 252 CG1 VAL A 18 2.476 1.191 5.573 1.00 0.00 C ATOM 253 CG2 VAL A 18 0.610 2.435 6.644 1.00 0.00 C ATOM 0 H VAL A 18 1.576 2.922 9.025 1.00 0.00 H new ATOM 0 HA VAL A 18 1.594 0.318 8.066 1.00 0.00 H new ATOM 0 HB VAL A 18 2.709 2.869 6.906 1.00 0.00 H new ATOM 0 HG11 VAL A 18 2.325 1.799 4.681 1.00 0.00 H new ATOM 0 HG12 VAL A 18 3.527 0.913 5.649 1.00 0.00 H new ATOM 0 HG13 VAL A 18 1.867 0.290 5.505 1.00 0.00 H new ATOM 0 HG21 VAL A 18 0.508 3.006 5.721 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -0.034 1.557 6.600 1.00 0.00 H new ATOM 0 HG23 VAL A 18 0.318 3.057 7.490 1.00 0.00 H new ATOM 263 N GLN A 19 4.637 1.594 8.464 1.00 0.00 N ATOM 264 CA GLN A 19 6.055 1.314 8.628 1.00 0.00 C ATOM 265 C GLN A 19 6.283 0.285 9.737 1.00 0.00 C ATOM 266 O GLN A 19 6.979 -0.701 9.514 1.00 0.00 O ATOM 267 CB GLN A 19 6.792 2.637 8.889 1.00 0.00 C ATOM 268 CG GLN A 19 8.308 2.478 9.077 1.00 0.00 C ATOM 269 CD GLN A 19 8.689 1.975 10.471 1.00 0.00 C ATOM 270 OE1 GLN A 19 8.257 2.535 11.475 1.00 0.00 O ATOM 271 NE2 GLN A 19 9.497 0.915 10.540 1.00 0.00 N ATOM 0 H GLN A 19 4.417 2.587 8.543 1.00 0.00 H new ATOM 0 HA GLN A 19 6.458 0.871 7.718 1.00 0.00 H new ATOM 0 HB2 GLN A 19 6.608 3.315 8.055 1.00 0.00 H new ATOM 0 HB3 GLN A 19 6.373 3.106 9.779 1.00 0.00 H new ATOM 0 HG2 GLN A 19 8.690 1.783 8.329 1.00 0.00 H new ATOM 0 HG3 GLN A 19 8.793 3.438 8.898 1.00 0.00 H new ATOM 0 HE21 GLN A 19 9.836 0.476 9.684 1.00 0.00 H new ATOM 0 HE22 GLN A 19 9.775 0.544 11.449 1.00 0.00 H new ATOM 280 N SER A 20 5.705 0.519 10.922 1.00 0.00 N ATOM 281 CA SER A 20 5.884 -0.344 12.082 1.00 0.00 C ATOM 282 C SER A 20 5.395 -1.763 11.789 1.00 0.00 C ATOM 283 O SER A 20 6.159 -2.715 11.928 1.00 0.00 O ATOM 284 CB SER A 20 5.158 0.249 13.295 1.00 0.00 C ATOM 285 OG SER A 20 5.699 1.511 13.620 1.00 0.00 O ATOM 0 H SER A 20 5.097 1.319 11.097 1.00 0.00 H new ATOM 0 HA SER A 20 6.948 -0.404 12.310 1.00 0.00 H new ATOM 0 HB2 SER A 20 4.094 0.346 13.079 1.00 0.00 H new ATOM 0 HB3 SER A 20 5.250 -0.424 14.147 1.00 0.00 H new ATOM 0 HG SER A 20 5.337 2.189 13.011 1.00 0.00 H new ATOM 291 N ILE A 21 4.125 -1.894 11.384 1.00 0.00 N ATOM 292 CA ILE A 21 3.484 -3.168 11.073 1.00 0.00 C ATOM 293 C ILE A 21 4.323 -3.932 10.043 1.00 0.00 C ATOM 294 O ILE A 21 4.676 -5.087 10.272 1.00 0.00 O ATOM 295 CB ILE A 21 2.038 -2.912 10.592 1.00 0.00 C ATOM 296 CG1 ILE A 21 1.184 -2.356 11.750 1.00 0.00 C ATOM 297 CG2 ILE A 21 1.384 -4.194 10.053 1.00 0.00 C ATOM 298 CD1 ILE A 21 -0.149 -1.779 11.262 1.00 0.00 C ATOM 0 H ILE A 21 3.504 -1.094 11.262 1.00 0.00 H new ATOM 0 HA ILE A 21 3.425 -3.793 11.964 1.00 0.00 H new ATOM 0 HB ILE A 21 2.087 -2.184 9.782 1.00 0.00 H new ATOM 0 HG12 ILE A 21 0.992 -3.150 12.471 1.00 0.00 H new ATOM 0 HG13 ILE A 21 1.744 -1.580 12.272 1.00 0.00 H new ATOM 0 HG21 ILE A 21 0.368 -3.974 9.724 1.00 0.00 H new ATOM 0 HG22 ILE A 21 1.964 -4.572 9.211 1.00 0.00 H new ATOM 0 HG23 ILE A 21 1.355 -4.947 10.841 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -0.715 -1.400 12.113 1.00 0.00 H new ATOM 0 HD12 ILE A 21 0.041 -0.966 10.562 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -0.723 -2.560 10.764 1.00 0.00 H new ATOM 310 N GLU A 22 4.649 -3.276 8.923 1.00 0.00 N ATOM 311 CA GLU A 22 5.429 -3.847 7.835 1.00 0.00 C ATOM 312 C GLU A 22 6.776 -4.365 8.354 1.00 0.00 C ATOM 313 O GLU A 22 7.105 -5.534 8.161 1.00 0.00 O ATOM 314 CB GLU A 22 5.584 -2.783 6.734 1.00 0.00 C ATOM 315 CG GLU A 22 6.121 -3.339 5.407 1.00 0.00 C ATOM 316 CD GLU A 22 7.592 -3.743 5.466 1.00 0.00 C ATOM 317 OE1 GLU A 22 8.399 -2.902 5.919 1.00 0.00 O ATOM 318 OE2 GLU A 22 7.885 -4.886 5.055 1.00 0.00 O ATOM 0 H GLU A 22 4.368 -2.311 8.751 1.00 0.00 H new ATOM 0 HA GLU A 22 4.917 -4.709 7.407 1.00 0.00 H new ATOM 0 HB2 GLU A 22 4.616 -2.314 6.556 1.00 0.00 H new ATOM 0 HB3 GLU A 22 6.256 -2.002 7.089 1.00 0.00 H new ATOM 0 HG2 GLU A 22 5.526 -4.205 5.118 1.00 0.00 H new ATOM 0 HG3 GLU A 22 5.990 -2.588 4.628 1.00 0.00 H new ATOM 325 N GLY A 23 7.543 -3.488 9.011 1.00 0.00 N ATOM 326 CA GLY A 23 8.878 -3.769 9.513 1.00 0.00 C ATOM 327 C GLY A 23 8.901 -4.968 10.456 1.00 0.00 C ATOM 328 O GLY A 23 9.714 -5.871 10.280 1.00 0.00 O ATOM 0 H GLY A 23 7.236 -2.536 9.210 1.00 0.00 H new ATOM 0 HA2 GLY A 23 9.547 -3.957 8.674 1.00 0.00 H new ATOM 0 HA3 GLY A 23 9.260 -2.892 10.035 1.00 0.00 H new ATOM 332 N VAL A 24 8.011 -4.982 11.455 1.00 0.00 N ATOM 333 CA VAL A 24 7.941 -6.057 12.435 1.00 0.00 C ATOM 334 C VAL A 24 7.580 -7.379 11.752 1.00 0.00 C ATOM 335 O VAL A 24 8.305 -8.360 11.898 1.00 0.00 O ATOM 336 CB VAL A 24 6.953 -5.683 13.557 1.00 0.00 C ATOM 337 CG1 VAL A 24 6.689 -6.868 14.496 1.00 0.00 C ATOM 338 CG2 VAL A 24 7.516 -4.525 14.392 1.00 0.00 C ATOM 0 H VAL A 24 7.321 -4.245 11.601 1.00 0.00 H new ATOM 0 HA VAL A 24 8.919 -6.196 12.896 1.00 0.00 H new ATOM 0 HB VAL A 24 6.018 -5.392 13.078 1.00 0.00 H new ATOM 0 HG11 VAL A 24 5.988 -6.566 15.274 1.00 0.00 H new ATOM 0 HG12 VAL A 24 6.266 -7.696 13.927 1.00 0.00 H new ATOM 0 HG13 VAL A 24 7.626 -7.185 14.955 1.00 0.00 H new ATOM 0 HG21 VAL A 24 6.810 -4.269 15.182 1.00 0.00 H new ATOM 0 HG22 VAL A 24 8.465 -4.825 14.837 1.00 0.00 H new ATOM 0 HG23 VAL A 24 7.674 -3.657 13.751 1.00 0.00 H new ATOM 348 N ILE A 25 6.461 -7.408 11.018 1.00 0.00 N ATOM 349 CA ILE A 25 5.915 -8.641 10.466 1.00 0.00 C ATOM 350 C ILE A 25 6.855 -9.258 9.425 1.00 0.00 C ATOM 351 O ILE A 25 7.029 -10.475 9.420 1.00 0.00 O ATOM 352 CB ILE A 25 4.488 -8.414 9.937 1.00 0.00 C ATOM 353 CG1 ILE A 25 3.575 -8.037 11.117 1.00 0.00 C ATOM 354 CG2 ILE A 25 3.955 -9.685 9.261 1.00 0.00 C ATOM 355 CD1 ILE A 25 2.154 -7.688 10.676 1.00 0.00 C ATOM 0 H ILE A 25 5.914 -6.577 10.794 1.00 0.00 H new ATOM 0 HA ILE A 25 5.839 -9.376 11.267 1.00 0.00 H new ATOM 0 HB ILE A 25 4.502 -7.611 9.200 1.00 0.00 H new ATOM 0 HG12 ILE A 25 3.538 -8.867 11.822 1.00 0.00 H new ATOM 0 HG13 ILE A 25 4.005 -7.187 11.647 1.00 0.00 H new ATOM 0 HG21 ILE A 25 2.945 -9.505 8.893 1.00 0.00 H new ATOM 0 HG22 ILE A 25 4.603 -9.952 8.426 1.00 0.00 H new ATOM 0 HG23 ILE A 25 3.938 -10.501 9.983 1.00 0.00 H new ATOM 0 HD11 ILE A 25 1.555 -7.430 11.549 1.00 0.00 H new ATOM 0 HD12 ILE A 25 2.183 -6.839 9.993 1.00 0.00 H new ATOM 0 HD13 ILE A 25 1.709 -8.545 10.171 1.00 0.00 H new ATOM 367 N SER A 26 7.469 -8.440 8.561 1.00 0.00 N ATOM 368 CA SER A 26 8.405 -8.911 7.542 1.00 0.00 C ATOM 369 C SER A 26 9.544 -9.763 8.119 1.00 0.00 C ATOM 370 O SER A 26 10.063 -10.632 7.422 1.00 0.00 O ATOM 371 CB SER A 26 8.962 -7.725 6.748 1.00 0.00 C ATOM 372 OG SER A 26 9.642 -6.819 7.588 1.00 0.00 O ATOM 0 H SER A 26 7.328 -7.430 8.552 1.00 0.00 H new ATOM 0 HA SER A 26 7.844 -9.564 6.873 1.00 0.00 H new ATOM 0 HB2 SER A 26 9.641 -8.088 5.976 1.00 0.00 H new ATOM 0 HB3 SER A 26 8.147 -7.211 6.239 1.00 0.00 H new ATOM 0 HG SER A 26 9.001 -6.187 7.975 1.00 0.00 H new ATOM 378 N LYS A 27 9.926 -9.523 9.381 1.00 0.00 N ATOM 379 CA LYS A 27 11.036 -10.202 10.037 1.00 0.00 C ATOM 380 C LYS A 27 10.599 -11.490 10.750 1.00 0.00 C ATOM 381 O LYS A 27 11.460 -12.238 11.208 1.00 0.00 O ATOM 382 CB LYS A 27 11.699 -9.234 11.027 1.00 0.00 C ATOM 383 CG LYS A 27 12.320 -8.033 10.303 1.00 0.00 C ATOM 384 CD LYS A 27 12.874 -7.027 11.318 1.00 0.00 C ATOM 385 CE LYS A 27 13.368 -5.747 10.635 1.00 0.00 C ATOM 386 NZ LYS A 27 14.485 -6.007 9.713 1.00 0.00 N ATOM 0 H LYS A 27 9.461 -8.840 9.978 1.00 0.00 H new ATOM 0 HA LYS A 27 11.751 -10.502 9.271 1.00 0.00 H new ATOM 0 HB2 LYS A 27 10.959 -8.884 11.747 1.00 0.00 H new ATOM 0 HB3 LYS A 27 12.470 -9.759 11.591 1.00 0.00 H new ATOM 0 HG2 LYS A 27 13.119 -8.371 9.643 1.00 0.00 H new ATOM 0 HG3 LYS A 27 11.570 -7.551 9.675 1.00 0.00 H new ATOM 0 HD2 LYS A 27 12.099 -6.777 12.043 1.00 0.00 H new ATOM 0 HD3 LYS A 27 13.694 -7.483 11.873 1.00 0.00 H new ATOM 0 HE2 LYS A 27 12.545 -5.289 10.087 1.00 0.00 H new ATOM 0 HE3 LYS A 27 13.684 -5.031 11.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 14.832 -5.107 9.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 15.255 -6.482 10.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 14.159 -6.616 8.936 1.00 0.00 H new ATOM 400 N LYS A 28 9.290 -11.767 10.852 1.00 0.00 N ATOM 401 CA LYS A 28 8.785 -12.965 11.512 1.00 0.00 C ATOM 402 C LYS A 28 9.080 -14.195 10.640 1.00 0.00 C ATOM 403 O LYS A 28 8.671 -14.206 9.479 1.00 0.00 O ATOM 404 CB LYS A 28 7.274 -12.847 11.755 1.00 0.00 C ATOM 405 CG LYS A 28 6.883 -11.673 12.663 1.00 0.00 C ATOM 406 CD LYS A 28 7.272 -11.892 14.130 1.00 0.00 C ATOM 407 CE LYS A 28 6.808 -10.697 14.969 1.00 0.00 C ATOM 408 NZ LYS A 28 7.158 -10.868 16.388 1.00 0.00 N ATOM 0 H LYS A 28 8.558 -11.163 10.477 1.00 0.00 H new ATOM 0 HA LYS A 28 9.283 -13.074 12.475 1.00 0.00 H new ATOM 0 HB2 LYS A 28 6.769 -12.736 10.796 1.00 0.00 H new ATOM 0 HB3 LYS A 28 6.913 -13.774 12.200 1.00 0.00 H new ATOM 0 HG2 LYS A 28 7.362 -10.764 12.298 1.00 0.00 H new ATOM 0 HG3 LYS A 28 5.807 -11.514 12.599 1.00 0.00 H new ATOM 0 HD2 LYS A 28 6.818 -12.810 14.504 1.00 0.00 H new ATOM 0 HD3 LYS A 28 8.352 -12.012 14.216 1.00 0.00 H new ATOM 0 HE2 LYS A 28 7.265 -9.784 14.588 1.00 0.00 H new ATOM 0 HE3 LYS A 28 5.729 -10.579 14.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 6.830 -10.042 16.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 6.702 -11.727 16.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 8.190 -10.956 16.483 1.00 0.00 H new ATOM 422 N PRO A 29 9.766 -15.229 11.165 1.00 0.00 N ATOM 423 CA PRO A 29 10.015 -16.477 10.456 1.00 0.00 C ATOM 424 C PRO A 29 8.741 -17.050 9.833 1.00 0.00 C ATOM 425 O PRO A 29 7.764 -17.295 10.541 1.00 0.00 O ATOM 426 CB PRO A 29 10.611 -17.435 11.492 1.00 0.00 C ATOM 427 CG PRO A 29 11.316 -16.490 12.458 1.00 0.00 C ATOM 428 CD PRO A 29 10.383 -15.279 12.483 1.00 0.00 C ATOM 0 HA PRO A 29 10.696 -16.318 9.619 1.00 0.00 H new ATOM 0 HB2 PRO A 29 9.840 -18.022 11.991 1.00 0.00 H new ATOM 0 HB3 PRO A 29 11.306 -18.141 11.037 1.00 0.00 H new ATOM 0 HG2 PRO A 29 11.431 -16.933 13.447 1.00 0.00 H new ATOM 0 HG3 PRO A 29 12.314 -16.225 12.110 1.00 0.00 H new ATOM 0 HD2 PRO A 29 9.630 -15.381 13.264 1.00 0.00 H new ATOM 0 HD3 PRO A 29 10.936 -14.363 12.691 1.00 0.00 H new ATOM 436 N GLY A 30 8.757 -17.243 8.511 1.00 0.00 N ATOM 437 CA GLY A 30 7.621 -17.733 7.747 1.00 0.00 C ATOM 438 C GLY A 30 7.123 -16.697 6.749 1.00 0.00 C ATOM 439 O GLY A 30 6.722 -17.069 5.647 1.00 0.00 O ATOM 0 H GLY A 30 9.579 -17.057 7.937 1.00 0.00 H new ATOM 0 HA2 GLY A 30 7.904 -18.642 7.217 1.00 0.00 H new ATOM 0 HA3 GLY A 30 6.813 -18.000 8.428 1.00 0.00 H new ATOM 443 N VAL A 31 7.140 -15.411 7.122 1.00 0.00 N ATOM 444 CA VAL A 31 6.672 -14.336 6.259 1.00 0.00 C ATOM 445 C VAL A 31 7.634 -14.161 5.083 1.00 0.00 C ATOM 446 O VAL A 31 8.838 -14.004 5.282 1.00 0.00 O ATOM 447 CB VAL A 31 6.500 -13.034 7.060 1.00 0.00 C ATOM 448 CG1 VAL A 31 6.083 -11.881 6.137 1.00 0.00 C ATOM 449 CG2 VAL A 31 5.427 -13.232 8.138 1.00 0.00 C ATOM 0 H VAL A 31 7.479 -15.094 8.030 1.00 0.00 H new ATOM 0 HA VAL A 31 5.693 -14.596 5.857 1.00 0.00 H new ATOM 0 HB VAL A 31 7.454 -12.785 7.525 1.00 0.00 H new ATOM 0 HG11 VAL A 31 5.967 -10.969 6.723 1.00 0.00 H new ATOM 0 HG12 VAL A 31 6.849 -11.728 5.377 1.00 0.00 H new ATOM 0 HG13 VAL A 31 5.137 -12.125 5.654 1.00 0.00 H new ATOM 0 HG21 VAL A 31 5.306 -12.309 8.705 1.00 0.00 H new ATOM 0 HG22 VAL A 31 4.480 -13.494 7.665 1.00 0.00 H new ATOM 0 HG23 VAL A 31 5.731 -14.034 8.811 1.00 0.00 H new ATOM 459 N LYS A 32 7.084 -14.189 3.864 1.00 0.00 N ATOM 460 CA LYS A 32 7.803 -13.965 2.622 1.00 0.00 C ATOM 461 C LYS A 32 7.660 -12.485 2.258 1.00 0.00 C ATOM 462 O LYS A 32 8.351 -11.652 2.842 1.00 0.00 O ATOM 463 CB LYS A 32 7.273 -14.922 1.543 1.00 0.00 C ATOM 464 CG LYS A 32 7.597 -16.382 1.886 1.00 0.00 C ATOM 465 CD LYS A 32 6.984 -17.373 0.886 1.00 0.00 C ATOM 466 CE LYS A 32 7.476 -17.201 -0.557 1.00 0.00 C ATOM 467 NZ LYS A 32 8.937 -17.342 -0.663 1.00 0.00 N ATOM 0 H LYS A 32 6.092 -14.375 3.719 1.00 0.00 H new ATOM 0 HA LYS A 32 8.867 -14.181 2.719 1.00 0.00 H new ATOM 0 HB2 LYS A 32 6.194 -14.800 1.444 1.00 0.00 H new ATOM 0 HB3 LYS A 32 7.713 -14.666 0.579 1.00 0.00 H new ATOM 0 HG2 LYS A 32 8.679 -16.515 1.907 1.00 0.00 H new ATOM 0 HG3 LYS A 32 7.229 -16.607 2.887 1.00 0.00 H new ATOM 0 HD2 LYS A 32 7.208 -18.388 1.215 1.00 0.00 H new ATOM 0 HD3 LYS A 32 5.900 -17.264 0.903 1.00 0.00 H new ATOM 0 HE2 LYS A 32 6.993 -17.941 -1.195 1.00 0.00 H new ATOM 0 HE3 LYS A 32 7.179 -16.220 -0.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 9.220 -17.286 -1.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 9.399 -16.578 -0.129 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 9.226 -18.261 -0.272 1.00 0.00 H new ATOM 481 N SER A 33 6.767 -12.147 1.316 1.00 0.00 N ATOM 482 CA SER A 33 6.447 -10.769 0.968 1.00 0.00 C ATOM 483 C SER A 33 5.289 -10.261 1.832 1.00 0.00 C ATOM 484 O SER A 33 4.569 -11.048 2.447 1.00 0.00 O ATOM 485 CB SER A 33 6.127 -10.662 -0.528 1.00 0.00 C ATOM 486 OG SER A 33 4.986 -11.421 -0.864 1.00 0.00 O ATOM 0 H SER A 33 6.245 -12.835 0.773 1.00 0.00 H new ATOM 0 HA SER A 33 7.312 -10.137 1.168 1.00 0.00 H new ATOM 0 HB2 SER A 33 5.963 -9.618 -0.793 1.00 0.00 H new ATOM 0 HB3 SER A 33 6.981 -11.008 -1.110 1.00 0.00 H new ATOM 0 HG SER A 33 5.224 -12.371 -0.899 1.00 0.00 H new ATOM 492 N ILE A 34 5.117 -8.936 1.878 1.00 0.00 N ATOM 493 CA ILE A 34 4.042 -8.286 2.610 1.00 0.00 C ATOM 494 C ILE A 34 3.675 -6.967 1.926 1.00 0.00 C ATOM 495 O ILE A 34 4.541 -6.309 1.348 1.00 0.00 O ATOM 496 CB ILE A 34 4.439 -8.104 4.090 1.00 0.00 C ATOM 497 CG1 ILE A 34 3.284 -7.458 4.872 1.00 0.00 C ATOM 498 CG2 ILE A 34 5.731 -7.286 4.238 1.00 0.00 C ATOM 499 CD1 ILE A 34 3.478 -7.534 6.388 1.00 0.00 C ATOM 0 H ILE A 34 5.734 -8.281 1.398 1.00 0.00 H new ATOM 0 HA ILE A 34 3.151 -8.913 2.600 1.00 0.00 H new ATOM 0 HB ILE A 34 4.637 -9.091 4.509 1.00 0.00 H new ATOM 0 HG12 ILE A 34 3.189 -6.414 4.574 1.00 0.00 H new ATOM 0 HG13 ILE A 34 2.350 -7.952 4.605 1.00 0.00 H new ATOM 0 HG21 ILE A 34 5.976 -7.181 5.295 1.00 0.00 H new ATOM 0 HG22 ILE A 34 6.546 -7.797 3.726 1.00 0.00 H new ATOM 0 HG23 ILE A 34 5.589 -6.299 3.798 1.00 0.00 H new ATOM 0 HD11 ILE A 34 2.632 -7.062 6.887 1.00 0.00 H new ATOM 0 HD12 ILE A 34 3.544 -8.578 6.694 1.00 0.00 H new ATOM 0 HD13 ILE A 34 4.397 -7.016 6.664 1.00 0.00 H new ATOM 511 N ARG A 35 2.394 -6.586 2.003 1.00 0.00 N ATOM 512 CA ARG A 35 1.885 -5.302 1.547 1.00 0.00 C ATOM 513 C ARG A 35 0.892 -4.794 2.590 1.00 0.00 C ATOM 514 O ARG A 35 -0.201 -5.344 2.722 1.00 0.00 O ATOM 515 CB ARG A 35 1.260 -5.464 0.152 1.00 0.00 C ATOM 516 CG ARG A 35 0.885 -4.135 -0.524 1.00 0.00 C ATOM 517 CD ARG A 35 -0.497 -3.613 -0.109 1.00 0.00 C ATOM 518 NE ARG A 35 -0.858 -2.403 -0.856 1.00 0.00 N ATOM 519 CZ ARG A 35 -0.448 -1.157 -0.559 1.00 0.00 C ATOM 520 NH1 ARG A 35 0.390 -0.929 0.462 1.00 0.00 N ATOM 521 NH2 ARG A 35 -0.886 -0.128 -1.295 1.00 0.00 N ATOM 0 H ARG A 35 1.668 -7.185 2.397 1.00 0.00 H new ATOM 0 HA ARG A 35 2.681 -4.564 1.447 1.00 0.00 H new ATOM 0 HB2 ARG A 35 1.960 -6.001 -0.488 1.00 0.00 H new ATOM 0 HB3 ARG A 35 0.366 -6.082 0.235 1.00 0.00 H new ATOM 0 HG2 ARG A 35 1.638 -3.386 -0.279 1.00 0.00 H new ATOM 0 HG3 ARG A 35 0.906 -4.267 -1.606 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -1.246 -4.386 -0.281 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -0.501 -3.398 0.959 1.00 0.00 H new ATOM 0 HE ARG A 35 -1.469 -2.516 -1.665 1.00 0.00 H new ATOM 0 HH11 ARG A 35 0.727 -1.707 1.028 1.00 0.00 H new ATOM 0 HH12 ARG A 35 0.690 0.023 0.673 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -1.525 -0.293 -2.073 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -0.581 0.821 -1.078 1.00 0.00 H new ATOM 535 N VAL A 36 1.276 -3.748 3.331 1.00 0.00 N ATOM 536 CA VAL A 36 0.451 -3.125 4.355 1.00 0.00 C ATOM 537 C VAL A 36 -0.250 -1.913 3.741 1.00 0.00 C ATOM 538 O VAL A 36 0.366 -0.863 3.565 1.00 0.00 O ATOM 539 CB VAL A 36 1.315 -2.762 5.576 1.00 0.00 C ATOM 540 CG1 VAL A 36 0.459 -2.119 6.674 1.00 0.00 C ATOM 541 CG2 VAL A 36 1.991 -4.008 6.157 1.00 0.00 C ATOM 0 H VAL A 36 2.190 -3.307 3.228 1.00 0.00 H new ATOM 0 HA VAL A 36 -0.316 -3.812 4.712 1.00 0.00 H new ATOM 0 HB VAL A 36 2.074 -2.057 5.238 1.00 0.00 H new ATOM 0 HG11 VAL A 36 1.089 -1.870 7.528 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -0.005 -1.211 6.289 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -0.317 -2.818 6.987 1.00 0.00 H new ATOM 0 HG21 VAL A 36 2.596 -3.725 7.019 1.00 0.00 H new ATOM 0 HG22 VAL A 36 1.230 -4.724 6.467 1.00 0.00 H new ATOM 0 HG23 VAL A 36 2.629 -4.463 5.399 1.00 0.00 H new ATOM 551 N SER A 37 -1.538 -2.068 3.409 1.00 0.00 N ATOM 552 CA SER A 37 -2.353 -1.025 2.803 1.00 0.00 C ATOM 553 C SER A 37 -3.111 -0.250 3.879 1.00 0.00 C ATOM 554 O SER A 37 -4.012 -0.793 4.516 1.00 0.00 O ATOM 555 CB SER A 37 -3.329 -1.646 1.800 1.00 0.00 C ATOM 556 OG SER A 37 -4.033 -0.619 1.130 1.00 0.00 O ATOM 0 H SER A 37 -2.045 -2.940 3.560 1.00 0.00 H new ATOM 0 HA SER A 37 -1.702 -0.328 2.275 1.00 0.00 H new ATOM 0 HB2 SER A 37 -2.787 -2.259 1.080 1.00 0.00 H new ATOM 0 HB3 SER A 37 -4.028 -2.304 2.316 1.00 0.00 H new ATOM 0 HG SER A 37 -4.267 -0.919 0.227 1.00 0.00 H new ATOM 562 N LEU A 38 -2.761 1.029 4.056 1.00 0.00 N ATOM 563 CA LEU A 38 -3.517 1.962 4.882 1.00 0.00 C ATOM 564 C LEU A 38 -4.879 2.195 4.219 1.00 0.00 C ATOM 565 O LEU A 38 -5.916 2.050 4.861 1.00 0.00 O ATOM 566 CB LEU A 38 -2.714 3.265 5.038 1.00 0.00 C ATOM 567 CG LEU A 38 -3.042 4.078 6.304 1.00 0.00 C ATOM 568 CD1 LEU A 38 -2.090 5.278 6.399 1.00 0.00 C ATOM 569 CD2 LEU A 38 -4.487 4.589 6.330 1.00 0.00 C ATOM 0 H LEU A 38 -1.936 1.444 3.623 1.00 0.00 H new ATOM 0 HA LEU A 38 -3.686 1.562 5.882 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -1.651 3.022 5.045 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -2.892 3.892 4.164 1.00 0.00 H new ATOM 0 HG LEU A 38 -2.917 3.407 7.154 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -2.320 5.855 7.295 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -1.061 4.923 6.451 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -2.212 5.910 5.519 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -4.657 5.154 7.246 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -4.660 5.234 5.469 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -5.173 3.743 6.293 1.00 0.00 H new ATOM 581 N ALA A 39 -4.860 2.537 2.923 1.00 0.00 N ATOM 582 CA ALA A 39 -6.037 2.829 2.117 1.00 0.00 C ATOM 583 C ALA A 39 -7.094 1.729 2.218 1.00 0.00 C ATOM 584 O ALA A 39 -8.257 2.021 2.490 1.00 0.00 O ATOM 585 CB ALA A 39 -5.614 3.041 0.660 1.00 0.00 C ATOM 0 H ALA A 39 -3.991 2.619 2.396 1.00 0.00 H new ATOM 0 HA ALA A 39 -6.495 3.740 2.503 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -6.493 3.260 0.054 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -4.916 3.876 0.602 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -5.131 2.138 0.286 1.00 0.00 H new ATOM 591 N ASN A 40 -6.692 0.467 2.005 1.00 0.00 N ATOM 592 CA ASN A 40 -7.600 -0.675 2.055 1.00 0.00 C ATOM 593 C ASN A 40 -7.694 -1.272 3.467 1.00 0.00 C ATOM 594 O ASN A 40 -8.333 -2.309 3.637 1.00 0.00 O ATOM 595 CB ASN A 40 -7.161 -1.739 1.040 1.00 0.00 C ATOM 596 CG ASN A 40 -7.034 -1.202 -0.387 1.00 0.00 C ATOM 597 OD1 ASN A 40 -7.650 -0.203 -0.748 1.00 0.00 O ATOM 598 ND2 ASN A 40 -6.222 -1.872 -1.209 1.00 0.00 N ATOM 0 H ASN A 40 -5.726 0.216 1.794 1.00 0.00 H new ATOM 0 HA ASN A 40 -8.597 -0.322 1.792 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -6.202 -2.153 1.351 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -7.880 -2.558 1.049 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -6.098 -1.557 -2.171 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -5.726 -2.698 -0.874 1.00 0.00 H new ATOM 605 N SER A 41 -7.076 -0.627 4.469 1.00 0.00 N ATOM 606 CA SER A 41 -7.130 -0.996 5.878 1.00 0.00 C ATOM 607 C SER A 41 -6.837 -2.481 6.094 1.00 0.00 C ATOM 608 O SER A 41 -7.657 -3.197 6.668 1.00 0.00 O ATOM 609 CB SER A 41 -8.485 -0.580 6.468 1.00 0.00 C ATOM 610 OG SER A 41 -8.684 0.807 6.298 1.00 0.00 O ATOM 0 H SER A 41 -6.503 0.200 4.304 1.00 0.00 H new ATOM 0 HA SER A 41 -6.344 -0.458 6.408 1.00 0.00 H new ATOM 0 HB2 SER A 41 -9.288 -1.133 5.980 1.00 0.00 H new ATOM 0 HB3 SER A 41 -8.522 -0.833 7.528 1.00 0.00 H new ATOM 0 HG SER A 41 -9.551 1.062 6.676 1.00 0.00 H new ATOM 616 N ASN A 42 -5.670 -2.950 5.633 1.00 0.00 N ATOM 617 CA ASN A 42 -5.289 -4.347 5.774 1.00 0.00 C ATOM 618 C ASN A 42 -3.780 -4.556 5.705 1.00 0.00 C ATOM 619 O ASN A 42 -3.032 -3.694 5.248 1.00 0.00 O ATOM 620 CB ASN A 42 -6.019 -5.226 4.739 1.00 0.00 C ATOM 621 CG ASN A 42 -5.568 -5.001 3.293 1.00 0.00 C ATOM 622 OD1 ASN A 42 -4.392 -5.145 2.963 1.00 0.00 O ATOM 623 ND2 ASN A 42 -6.512 -4.666 2.414 1.00 0.00 N ATOM 0 H ASN A 42 -4.976 -2.373 5.158 1.00 0.00 H new ATOM 0 HA ASN A 42 -5.601 -4.657 6.771 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -5.865 -6.274 4.997 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -7.090 -5.035 4.807 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -6.268 -4.521 1.434 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -7.478 -4.555 2.721 1.00 0.00 H new ATOM 630 N GLY A 43 -3.371 -5.744 6.156 1.00 0.00 N ATOM 631 CA GLY A 43 -2.050 -6.312 6.015 1.00 0.00 C ATOM 632 C GLY A 43 -2.215 -7.565 5.163 1.00 0.00 C ATOM 633 O GLY A 43 -2.790 -8.551 5.625 1.00 0.00 O ATOM 0 H GLY A 43 -4.003 -6.366 6.660 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -1.371 -5.605 5.539 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -1.625 -6.556 6.989 1.00 0.00 H new ATOM 637 N THR A 44 -1.713 -7.518 3.926 1.00 0.00 N ATOM 638 CA THR A 44 -1.766 -8.621 2.982 1.00 0.00 C ATOM 639 C THR A 44 -0.405 -9.304 3.051 1.00 0.00 C ATOM 640 O THR A 44 0.557 -8.842 2.438 1.00 0.00 O ATOM 641 CB THR A 44 -2.099 -8.092 1.579 1.00 0.00 C ATOM 642 OG1 THR A 44 -3.371 -7.476 1.601 1.00 0.00 O ATOM 643 CG2 THR A 44 -2.122 -9.225 0.546 1.00 0.00 C ATOM 0 H THR A 44 -1.249 -6.690 3.551 1.00 0.00 H new ATOM 0 HA THR A 44 -2.548 -9.341 3.222 1.00 0.00 H new ATOM 0 HB THR A 44 -1.327 -7.376 1.297 1.00 0.00 H new ATOM 0 HG1 THR A 44 -3.340 -6.682 2.174 1.00 0.00 H new ATOM 0 HG21 THR A 44 -2.361 -8.817 -0.436 1.00 0.00 H new ATOM 0 HG22 THR A 44 -1.144 -9.706 0.511 1.00 0.00 H new ATOM 0 HG23 THR A 44 -2.877 -9.959 0.827 1.00 0.00 H new ATOM 651 N VAL A 45 -0.336 -10.384 3.837 1.00 0.00 N ATOM 652 CA VAL A 45 0.900 -11.056 4.202 1.00 0.00 C ATOM 653 C VAL A 45 0.992 -12.378 3.445 1.00 0.00 C ATOM 654 O VAL A 45 0.090 -13.206 3.561 1.00 0.00 O ATOM 655 CB VAL A 45 0.930 -11.308 5.723 1.00 0.00 C ATOM 656 CG1 VAL A 45 2.328 -11.777 6.146 1.00 0.00 C ATOM 657 CG2 VAL A 45 0.558 -10.062 6.536 1.00 0.00 C ATOM 0 H VAL A 45 -1.164 -10.820 4.243 1.00 0.00 H new ATOM 0 HA VAL A 45 1.752 -10.429 3.938 1.00 0.00 H new ATOM 0 HB VAL A 45 0.185 -12.077 5.930 1.00 0.00 H new ATOM 0 HG11 VAL A 45 2.343 -11.953 7.222 1.00 0.00 H new ATOM 0 HG12 VAL A 45 2.575 -12.701 5.623 1.00 0.00 H new ATOM 0 HG13 VAL A 45 3.061 -11.010 5.894 1.00 0.00 H new ATOM 0 HG21 VAL A 45 0.595 -10.297 7.600 1.00 0.00 H new ATOM 0 HG22 VAL A 45 1.263 -9.260 6.316 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -0.449 -9.742 6.271 1.00 0.00 H new ATOM 667 N GLU A 46 2.084 -12.581 2.696 1.00 0.00 N ATOM 668 CA GLU A 46 2.422 -13.865 2.101 1.00 0.00 C ATOM 669 C GLU A 46 3.276 -14.606 3.127 1.00 0.00 C ATOM 670 O GLU A 46 4.211 -14.022 3.672 1.00 0.00 O ATOM 671 CB GLU A 46 3.178 -13.652 0.786 1.00 0.00 C ATOM 672 CG GLU A 46 3.412 -14.981 0.055 1.00 0.00 C ATOM 673 CD GLU A 46 4.242 -14.788 -1.211 1.00 0.00 C ATOM 674 OE1 GLU A 46 5.349 -14.219 -1.087 1.00 0.00 O ATOM 675 OE2 GLU A 46 3.758 -15.214 -2.283 1.00 0.00 O ATOM 0 H GLU A 46 2.760 -11.846 2.489 1.00 0.00 H new ATOM 0 HA GLU A 46 1.532 -14.446 1.860 1.00 0.00 H new ATOM 0 HB2 GLU A 46 2.612 -12.976 0.144 1.00 0.00 H new ATOM 0 HB3 GLU A 46 4.136 -13.172 0.988 1.00 0.00 H new ATOM 0 HG2 GLU A 46 3.920 -15.678 0.721 1.00 0.00 H new ATOM 0 HG3 GLU A 46 2.452 -15.429 -0.203 1.00 0.00 H new ATOM 682 N TYR A 47 2.945 -15.869 3.418 1.00 0.00 N ATOM 683 CA TYR A 47 3.535 -16.610 4.522 1.00 0.00 C ATOM 684 C TYR A 47 3.588 -18.112 4.246 1.00 0.00 C ATOM 685 O TYR A 47 2.924 -18.610 3.337 1.00 0.00 O ATOM 686 CB TYR A 47 2.741 -16.325 5.804 1.00 0.00 C ATOM 687 CG TYR A 47 1.384 -17.006 5.854 1.00 0.00 C ATOM 688 CD1 TYR A 47 0.331 -16.539 5.046 1.00 0.00 C ATOM 689 CD2 TYR A 47 1.218 -18.195 6.592 1.00 0.00 C ATOM 690 CE1 TYR A 47 -0.869 -17.263 4.960 1.00 0.00 C ATOM 691 CE2 TYR A 47 0.012 -18.910 6.514 1.00 0.00 C ATOM 692 CZ TYR A 47 -1.028 -18.452 5.689 1.00 0.00 C ATOM 693 OH TYR A 47 -2.187 -19.164 5.596 1.00 0.00 O ATOM 0 H TYR A 47 2.256 -16.402 2.887 1.00 0.00 H new ATOM 0 HA TYR A 47 4.566 -16.276 4.643 1.00 0.00 H new ATOM 0 HB2 TYR A 47 3.330 -16.647 6.663 1.00 0.00 H new ATOM 0 HB3 TYR A 47 2.600 -15.248 5.900 1.00 0.00 H new ATOM 0 HD1 TYR A 47 0.446 -15.620 4.490 1.00 0.00 H new ATOM 0 HD2 TYR A 47 2.020 -18.557 7.219 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -1.671 -16.904 4.332 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -0.116 -19.815 7.090 1.00 0.00 H new ATOM 0 HH TYR A 47 -2.128 -19.960 6.165 1.00 0.00 H new ATOM 703 N ASP A 48 4.369 -18.824 5.067 1.00 0.00 N ATOM 704 CA ASP A 48 4.471 -20.276 5.075 1.00 0.00 C ATOM 705 C ASP A 48 3.699 -20.830 6.283 1.00 0.00 C ATOM 706 O ASP A 48 4.132 -20.604 7.413 1.00 0.00 O ATOM 707 CB ASP A 48 5.954 -20.671 5.138 1.00 0.00 C ATOM 708 CG ASP A 48 6.191 -22.183 5.159 1.00 0.00 C ATOM 709 OD1 ASP A 48 5.208 -22.941 5.004 1.00 0.00 O ATOM 710 OD2 ASP A 48 7.369 -22.559 5.335 1.00 0.00 O ATOM 0 H ASP A 48 4.966 -18.383 5.767 1.00 0.00 H new ATOM 0 HA ASP A 48 4.037 -20.696 4.168 1.00 0.00 H new ATOM 0 HB2 ASP A 48 6.471 -20.244 4.279 1.00 0.00 H new ATOM 0 HB3 ASP A 48 6.400 -20.230 6.030 1.00 0.00 H new ATOM 715 N PRO A 49 2.589 -21.564 6.068 1.00 0.00 N ATOM 716 CA PRO A 49 1.837 -22.278 7.097 1.00 0.00 C ATOM 717 C PRO A 49 2.695 -23.067 8.090 1.00 0.00 C ATOM 718 O PRO A 49 2.360 -23.142 9.270 1.00 0.00 O ATOM 719 CB PRO A 49 0.896 -23.217 6.340 1.00 0.00 C ATOM 720 CG PRO A 49 0.619 -22.445 5.057 1.00 0.00 C ATOM 721 CD PRO A 49 1.965 -21.780 4.772 1.00 0.00 C ATOM 0 HA PRO A 49 1.316 -21.552 7.721 1.00 0.00 H new ATOM 0 HB2 PRO A 49 1.361 -24.182 6.140 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -0.018 -23.413 6.900 1.00 0.00 H new ATOM 0 HG2 PRO A 49 0.313 -23.104 4.245 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -0.176 -21.711 5.189 1.00 0.00 H new ATOM 0 HD2 PRO A 49 2.587 -22.414 4.140 1.00 0.00 H new ATOM 0 HD3 PRO A 49 1.830 -20.837 4.242 1.00 0.00 H new ATOM 729 N LEU A 50 3.791 -23.666 7.610 1.00 0.00 N ATOM 730 CA LEU A 50 4.669 -24.505 8.414 1.00 0.00 C ATOM 731 C LEU A 50 5.389 -23.706 9.508 1.00 0.00 C ATOM 732 O LEU A 50 5.729 -24.274 10.544 1.00 0.00 O ATOM 733 CB LEU A 50 5.692 -25.204 7.506 1.00 0.00 C ATOM 734 CG LEU A 50 5.068 -26.033 6.368 1.00 0.00 C ATOM 735 CD1 LEU A 50 6.185 -26.555 5.458 1.00 0.00 C ATOM 736 CD2 LEU A 50 4.251 -27.215 6.902 1.00 0.00 C ATOM 0 H LEU A 50 4.092 -23.577 6.639 1.00 0.00 H new ATOM 0 HA LEU A 50 4.050 -25.251 8.914 1.00 0.00 H new ATOM 0 HB2 LEU A 50 6.350 -24.451 7.072 1.00 0.00 H new ATOM 0 HB3 LEU A 50 6.315 -25.858 8.116 1.00 0.00 H new ATOM 0 HG LEU A 50 4.390 -25.386 5.811 1.00 0.00 H new ATOM 0 HD11 LEU A 50 5.751 -27.143 4.650 1.00 0.00 H new ATOM 0 HD12 LEU A 50 6.736 -25.713 5.039 1.00 0.00 H new ATOM 0 HD13 LEU A 50 6.864 -27.181 6.038 1.00 0.00 H new ATOM 0 HD21 LEU A 50 3.829 -27.773 6.066 1.00 0.00 H new ATOM 0 HD22 LEU A 50 4.898 -27.870 7.486 1.00 0.00 H new ATOM 0 HD23 LEU A 50 3.445 -26.844 7.535 1.00 0.00 H new ATOM 748 N LEU A 51 5.631 -22.408 9.276 1.00 0.00 N ATOM 749 CA LEU A 51 6.449 -21.557 10.135 1.00 0.00 C ATOM 750 C LEU A 51 5.607 -20.519 10.887 1.00 0.00 C ATOM 751 O LEU A 51 5.924 -20.201 12.032 1.00 0.00 O ATOM 752 CB LEU A 51 7.532 -20.885 9.283 1.00 0.00 C ATOM 753 CG LEU A 51 8.534 -21.880 8.665 1.00 0.00 C ATOM 754 CD1 LEU A 51 9.461 -21.136 7.696 1.00 0.00 C ATOM 755 CD2 LEU A 51 9.389 -22.578 9.732 1.00 0.00 C ATOM 0 H LEU A 51 5.253 -21.915 8.467 1.00 0.00 H new ATOM 0 HA LEU A 51 6.919 -22.178 10.898 1.00 0.00 H new ATOM 0 HB2 LEU A 51 7.055 -20.319 8.483 1.00 0.00 H new ATOM 0 HB3 LEU A 51 8.076 -20.169 9.899 1.00 0.00 H new ATOM 0 HG LEU A 51 7.957 -22.642 8.142 1.00 0.00 H new ATOM 0 HD11 LEU A 51 10.170 -21.839 7.259 1.00 0.00 H new ATOM 0 HD12 LEU A 51 8.868 -20.679 6.904 1.00 0.00 H new ATOM 0 HD13 LEU A 51 10.005 -20.361 8.236 1.00 0.00 H new ATOM 0 HD21 LEU A 51 10.080 -23.269 9.250 1.00 0.00 H new ATOM 0 HD22 LEU A 51 9.954 -21.832 10.291 1.00 0.00 H new ATOM 0 HD23 LEU A 51 8.741 -23.129 10.414 1.00 0.00 H new ATOM 767 N THR A 52 4.545 -19.991 10.265 1.00 0.00 N ATOM 768 CA THR A 52 3.618 -19.051 10.892 1.00 0.00 C ATOM 769 C THR A 52 2.203 -19.302 10.362 1.00 0.00 C ATOM 770 O THR A 52 2.008 -20.188 9.536 1.00 0.00 O ATOM 771 CB THR A 52 4.106 -17.608 10.678 1.00 0.00 C ATOM 772 OG1 THR A 52 3.399 -16.719 11.519 1.00 0.00 O ATOM 773 CG2 THR A 52 3.953 -17.145 9.227 1.00 0.00 C ATOM 0 H THR A 52 4.306 -20.211 9.298 1.00 0.00 H new ATOM 0 HA THR A 52 3.585 -19.206 11.970 1.00 0.00 H new ATOM 0 HB THR A 52 5.168 -17.600 10.925 1.00 0.00 H new ATOM 0 HG1 THR A 52 3.721 -15.805 11.373 1.00 0.00 H new ATOM 0 HG21 THR A 52 4.312 -16.120 9.132 1.00 0.00 H new ATOM 0 HG22 THR A 52 4.535 -17.795 8.574 1.00 0.00 H new ATOM 0 HG23 THR A 52 2.902 -17.189 8.940 1.00 0.00 H new ATOM 781 N SER A 53 1.213 -18.537 10.840 1.00 0.00 N ATOM 782 CA SER A 53 -0.189 -18.732 10.487 1.00 0.00 C ATOM 783 C SER A 53 -0.945 -17.400 10.530 1.00 0.00 C ATOM 784 O SER A 53 -0.460 -16.455 11.152 1.00 0.00 O ATOM 785 CB SER A 53 -0.812 -19.750 11.451 1.00 0.00 C ATOM 786 OG SER A 53 -0.962 -19.187 12.738 1.00 0.00 O ATOM 0 H SER A 53 1.369 -17.763 11.486 1.00 0.00 H new ATOM 0 HA SER A 53 -0.259 -19.116 9.469 1.00 0.00 H new ATOM 0 HB2 SER A 53 -1.783 -20.071 11.073 1.00 0.00 H new ATOM 0 HB3 SER A 53 -0.183 -20.638 11.508 1.00 0.00 H new ATOM 0 HG SER A 53 -1.362 -19.849 13.340 1.00 0.00 H new ATOM 792 N PRO A 54 -2.136 -17.305 9.907 1.00 0.00 N ATOM 793 CA PRO A 54 -3.005 -16.138 10.013 1.00 0.00 C ATOM 794 C PRO A 54 -3.303 -15.783 11.470 1.00 0.00 C ATOM 795 O PRO A 54 -3.344 -14.606 11.818 1.00 0.00 O ATOM 796 CB PRO A 54 -4.284 -16.493 9.247 1.00 0.00 C ATOM 797 CG PRO A 54 -3.816 -17.559 8.260 1.00 0.00 C ATOM 798 CD PRO A 54 -2.772 -18.315 9.076 1.00 0.00 C ATOM 0 HA PRO A 54 -2.525 -15.254 9.592 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -5.059 -16.873 9.912 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -4.700 -15.626 8.735 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -4.633 -18.207 7.943 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -3.389 -17.120 7.358 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -3.234 -19.092 9.685 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -2.046 -18.807 8.429 1.00 0.00 H new ATOM 806 N GLU A 55 -3.498 -16.803 12.316 1.00 0.00 N ATOM 807 CA GLU A 55 -3.740 -16.639 13.742 1.00 0.00 C ATOM 808 C GLU A 55 -2.549 -15.956 14.417 1.00 0.00 C ATOM 809 O GLU A 55 -2.737 -14.991 15.153 1.00 0.00 O ATOM 810 CB GLU A 55 -3.999 -18.007 14.392 1.00 0.00 C ATOM 811 CG GLU A 55 -5.230 -18.730 13.830 1.00 0.00 C ATOM 812 CD GLU A 55 -6.530 -17.961 14.053 1.00 0.00 C ATOM 813 OE1 GLU A 55 -6.639 -17.301 15.109 1.00 0.00 O ATOM 814 OE2 GLU A 55 -7.403 -18.052 13.162 1.00 0.00 O ATOM 0 H GLU A 55 -3.491 -17.778 12.017 1.00 0.00 H new ATOM 0 HA GLU A 55 -4.619 -16.008 13.873 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -3.122 -18.638 14.252 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -4.126 -17.872 15.466 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -5.091 -18.895 12.762 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -5.311 -19.712 14.296 1.00 0.00 H new ATOM 821 N THR A 56 -1.330 -16.456 14.168 1.00 0.00 N ATOM 822 CA THR A 56 -0.105 -15.894 14.724 1.00 0.00 C ATOM 823 C THR A 56 0.047 -14.427 14.315 1.00 0.00 C ATOM 824 O THR A 56 0.317 -13.572 15.157 1.00 0.00 O ATOM 825 CB THR A 56 1.105 -16.721 14.262 1.00 0.00 C ATOM 826 OG1 THR A 56 0.889 -18.090 14.527 1.00 0.00 O ATOM 827 CG2 THR A 56 2.392 -16.280 14.967 1.00 0.00 C ATOM 0 H THR A 56 -1.173 -17.267 13.570 1.00 0.00 H new ATOM 0 HA THR A 56 -0.158 -15.934 15.812 1.00 0.00 H new ATOM 0 HB THR A 56 1.219 -16.558 13.190 1.00 0.00 H new ATOM 0 HG1 THR A 56 0.299 -18.467 13.841 1.00 0.00 H new ATOM 0 HG21 THR A 56 3.226 -16.887 14.615 1.00 0.00 H new ATOM 0 HG22 THR A 56 2.588 -15.231 14.745 1.00 0.00 H new ATOM 0 HG23 THR A 56 2.279 -16.408 16.044 1.00 0.00 H new ATOM 835 N LEU A 57 -0.130 -14.145 13.019 1.00 0.00 N ATOM 836 CA LEU A 57 -0.017 -12.811 12.449 1.00 0.00 C ATOM 837 C LEU A 57 -1.041 -11.860 13.078 1.00 0.00 C ATOM 838 O LEU A 57 -0.681 -10.761 13.493 1.00 0.00 O ATOM 839 CB LEU A 57 -0.183 -12.898 10.926 1.00 0.00 C ATOM 840 CG LEU A 57 0.973 -13.641 10.233 1.00 0.00 C ATOM 841 CD1 LEU A 57 0.561 -14.018 8.806 1.00 0.00 C ATOM 842 CD2 LEU A 57 2.236 -12.778 10.178 1.00 0.00 C ATOM 0 H LEU A 57 -0.361 -14.859 12.328 1.00 0.00 H new ATOM 0 HA LEU A 57 0.970 -12.403 12.669 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -1.121 -13.404 10.697 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -0.256 -11.890 10.517 1.00 0.00 H new ATOM 0 HG LEU A 57 1.191 -14.538 10.812 1.00 0.00 H new ATOM 0 HD11 LEU A 57 1.381 -14.544 8.317 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -0.316 -14.664 8.839 1.00 0.00 H new ATOM 0 HD13 LEU A 57 0.324 -13.114 8.245 1.00 0.00 H new ATOM 0 HD21 LEU A 57 3.034 -13.332 9.683 1.00 0.00 H new ATOM 0 HD22 LEU A 57 2.028 -11.864 9.621 1.00 0.00 H new ATOM 0 HD23 LEU A 57 2.547 -12.523 11.191 1.00 0.00 H new ATOM 854 N ARG A 58 -2.308 -12.285 13.169 1.00 0.00 N ATOM 855 CA ARG A 58 -3.366 -11.536 13.836 1.00 0.00 C ATOM 856 C ARG A 58 -2.981 -11.239 15.289 1.00 0.00 C ATOM 857 O ARG A 58 -3.153 -10.114 15.751 1.00 0.00 O ATOM 858 CB ARG A 58 -4.694 -12.298 13.731 1.00 0.00 C ATOM 859 CG ARG A 58 -5.814 -11.556 14.469 1.00 0.00 C ATOM 860 CD ARG A 58 -7.210 -12.025 14.058 1.00 0.00 C ATOM 861 NE ARG A 58 -7.427 -13.448 14.344 1.00 0.00 N ATOM 862 CZ ARG A 58 -8.629 -14.049 14.312 1.00 0.00 C ATOM 863 NH1 ARG A 58 -9.737 -13.358 14.012 1.00 0.00 N ATOM 864 NH2 ARG A 58 -8.725 -15.357 14.579 1.00 0.00 N ATOM 0 H ARG A 58 -2.625 -13.171 12.774 1.00 0.00 H new ATOM 0 HA ARG A 58 -3.497 -10.575 13.339 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -4.964 -12.421 12.682 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -4.578 -13.298 14.150 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -5.690 -11.697 15.543 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -5.724 -10.487 14.276 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -7.959 -11.433 14.584 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -7.352 -11.845 12.992 1.00 0.00 H new ATOM 0 HE ARG A 58 -6.615 -14.017 14.582 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -9.676 -12.361 13.804 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -10.642 -13.829 13.992 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -7.888 -15.894 14.806 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -9.635 -15.817 14.556 1.00 0.00 H new ATOM 878 N GLY A 59 -2.447 -12.245 15.992 1.00 0.00 N ATOM 879 CA GLY A 59 -1.942 -12.113 17.349 1.00 0.00 C ATOM 880 C GLY A 59 -0.871 -11.027 17.455 1.00 0.00 C ATOM 881 O GLY A 59 -0.917 -10.210 18.371 1.00 0.00 O ATOM 0 H GLY A 59 -2.356 -13.190 15.619 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -2.766 -11.877 18.022 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -1.526 -13.066 17.676 1.00 0.00 H new ATOM 885 N ALA A 60 0.088 -11.014 16.521 1.00 0.00 N ATOM 886 CA ALA A 60 1.164 -10.033 16.491 1.00 0.00 C ATOM 887 C ALA A 60 0.613 -8.616 16.303 1.00 0.00 C ATOM 888 O ALA A 60 0.972 -7.716 17.056 1.00 0.00 O ATOM 889 CB ALA A 60 2.172 -10.390 15.395 1.00 0.00 C ATOM 0 H ALA A 60 0.133 -11.693 15.761 1.00 0.00 H new ATOM 0 HA ALA A 60 1.681 -10.054 17.451 1.00 0.00 H new ATOM 0 HB1 ALA A 60 2.972 -9.650 15.381 1.00 0.00 H new ATOM 0 HB2 ALA A 60 2.593 -11.376 15.595 1.00 0.00 H new ATOM 0 HB3 ALA A 60 1.670 -10.399 14.428 1.00 0.00 H new ATOM 895 N ILE A 61 -0.260 -8.419 15.308 1.00 0.00 N ATOM 896 CA ILE A 61 -0.865 -7.121 15.016 1.00 0.00 C ATOM 897 C ILE A 61 -1.662 -6.622 16.230 1.00 0.00 C ATOM 898 O ILE A 61 -1.554 -5.456 16.609 1.00 0.00 O ATOM 899 CB ILE A 61 -1.747 -7.228 13.758 1.00 0.00 C ATOM 900 CG1 ILE A 61 -0.924 -7.600 12.512 1.00 0.00 C ATOM 901 CG2 ILE A 61 -2.440 -5.885 13.494 1.00 0.00 C ATOM 902 CD1 ILE A 61 -1.782 -8.279 11.439 1.00 0.00 C ATOM 0 H ILE A 61 -0.566 -9.163 14.681 1.00 0.00 H new ATOM 0 HA ILE A 61 -0.082 -6.390 14.815 1.00 0.00 H new ATOM 0 HB ILE A 61 -2.480 -8.014 13.942 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -0.469 -6.701 12.097 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -0.110 -8.266 12.800 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -3.063 -5.966 12.603 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -3.063 -5.623 14.349 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -1.688 -5.111 13.342 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -1.161 -8.524 10.578 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -2.216 -9.193 11.845 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -2.580 -7.604 11.130 1.00 0.00 H new ATOM 914 N GLU A 62 -2.460 -7.510 16.837 1.00 0.00 N ATOM 915 CA GLU A 62 -3.230 -7.227 18.039 1.00 0.00 C ATOM 916 C GLU A 62 -2.296 -6.775 19.167 1.00 0.00 C ATOM 917 O GLU A 62 -2.556 -5.758 19.804 1.00 0.00 O ATOM 918 CB GLU A 62 -4.053 -8.470 18.409 1.00 0.00 C ATOM 919 CG GLU A 62 -5.031 -8.246 19.572 1.00 0.00 C ATOM 920 CD GLU A 62 -4.346 -8.151 20.935 1.00 0.00 C ATOM 921 OE1 GLU A 62 -3.546 -9.065 21.239 1.00 0.00 O ATOM 922 OE2 GLU A 62 -4.633 -7.168 21.651 1.00 0.00 O ATOM 0 H GLU A 62 -2.586 -8.462 16.494 1.00 0.00 H new ATOM 0 HA GLU A 62 -3.927 -6.407 17.865 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -4.614 -8.796 17.533 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -3.372 -9.280 18.671 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -5.593 -7.330 19.392 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -5.752 -9.063 19.593 1.00 0.00 H new ATOM 929 N ASP A 63 -1.215 -7.527 19.400 1.00 0.00 N ATOM 930 CA ASP A 63 -0.226 -7.239 20.430 1.00 0.00 C ATOM 931 C ASP A 63 0.409 -5.860 20.227 1.00 0.00 C ATOM 932 O ASP A 63 0.567 -5.118 21.194 1.00 0.00 O ATOM 933 CB ASP A 63 0.830 -8.351 20.457 1.00 0.00 C ATOM 934 CG ASP A 63 1.870 -8.111 21.547 1.00 0.00 C ATOM 935 OD1 ASP A 63 1.553 -8.425 22.715 1.00 0.00 O ATOM 936 OD2 ASP A 63 2.962 -7.616 21.193 1.00 0.00 O ATOM 0 H ASP A 63 -1.004 -8.369 18.864 1.00 0.00 H new ATOM 0 HA ASP A 63 -0.726 -7.213 21.398 1.00 0.00 H new ATOM 0 HB2 ASP A 63 0.343 -9.312 20.623 1.00 0.00 H new ATOM 0 HB3 ASP A 63 1.325 -8.408 19.487 1.00 0.00 H new ATOM 941 N MET A 64 0.763 -5.514 18.981 1.00 0.00 N ATOM 942 CA MET A 64 1.277 -4.192 18.641 1.00 0.00 C ATOM 943 C MET A 64 0.254 -3.108 18.994 1.00 0.00 C ATOM 944 O MET A 64 0.626 -2.091 19.578 1.00 0.00 O ATOM 945 CB MET A 64 1.667 -4.122 17.159 1.00 0.00 C ATOM 946 CG MET A 64 2.928 -4.944 16.872 1.00 0.00 C ATOM 947 SD MET A 64 3.442 -4.957 15.135 1.00 0.00 S ATOM 948 CE MET A 64 3.962 -3.233 14.957 1.00 0.00 C ATOM 0 H MET A 64 0.699 -6.148 18.184 1.00 0.00 H new ATOM 0 HA MET A 64 2.176 -4.012 19.231 1.00 0.00 H new ATOM 0 HB2 MET A 64 0.844 -4.491 16.547 1.00 0.00 H new ATOM 0 HB3 MET A 64 1.836 -3.083 16.874 1.00 0.00 H new ATOM 0 HG2 MET A 64 3.746 -4.552 17.476 1.00 0.00 H new ATOM 0 HG3 MET A 64 2.757 -5.971 17.194 1.00 0.00 H new ATOM 0 HE1 MET A 64 4.743 -3.165 14.200 1.00 0.00 H new ATOM 0 HE2 MET A 64 3.109 -2.625 14.655 1.00 0.00 H new ATOM 0 HE3 MET A 64 4.347 -2.869 15.909 1.00 0.00 H new ATOM 958 N GLY A 65 -1.022 -3.336 18.658 1.00 0.00 N ATOM 959 CA GLY A 65 -2.135 -2.506 19.095 1.00 0.00 C ATOM 960 C GLY A 65 -2.923 -1.956 17.912 1.00 0.00 C ATOM 961 O GLY A 65 -3.002 -0.742 17.738 1.00 0.00 O ATOM 0 H GLY A 65 -1.307 -4.116 18.066 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -2.797 -3.091 19.734 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -1.759 -1.680 19.698 1.00 0.00 H new ATOM 965 N PHE A 66 -3.516 -2.854 17.116 1.00 0.00 N ATOM 966 CA PHE A 66 -4.430 -2.502 16.037 1.00 0.00 C ATOM 967 C PHE A 66 -5.582 -3.505 16.004 1.00 0.00 C ATOM 968 O PHE A 66 -5.437 -4.637 16.462 1.00 0.00 O ATOM 969 CB PHE A 66 -3.694 -2.474 14.694 1.00 0.00 C ATOM 970 CG PHE A 66 -2.526 -1.513 14.633 1.00 0.00 C ATOM 971 CD1 PHE A 66 -2.757 -0.160 14.332 1.00 0.00 C ATOM 972 CD2 PHE A 66 -1.225 -1.950 14.948 1.00 0.00 C ATOM 973 CE1 PHE A 66 -1.692 0.754 14.339 1.00 0.00 C ATOM 974 CE2 PHE A 66 -0.160 -1.034 14.959 1.00 0.00 C ATOM 975 CZ PHE A 66 -0.392 0.318 14.654 1.00 0.00 C ATOM 0 H PHE A 66 -3.368 -3.859 17.210 1.00 0.00 H new ATOM 0 HA PHE A 66 -4.831 -1.504 16.216 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -3.333 -3.478 14.472 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -4.405 -2.211 13.911 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -3.755 0.177 14.095 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -1.046 -2.989 15.181 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -1.870 1.793 14.102 1.00 0.00 H new ATOM 0 HE2 PHE A 66 0.838 -1.369 15.202 1.00 0.00 H new ATOM 0 HZ PHE A 66 0.427 1.022 14.661 1.00 0.00 H new ATOM 985 N ASP A 67 -6.727 -3.080 15.459 1.00 0.00 N ATOM 986 CA ASP A 67 -7.936 -3.887 15.388 1.00 0.00 C ATOM 987 C ASP A 67 -7.800 -4.887 14.240 1.00 0.00 C ATOM 988 O ASP A 67 -8.145 -4.573 13.102 1.00 0.00 O ATOM 989 CB ASP A 67 -9.152 -2.974 15.202 1.00 0.00 C ATOM 990 CG ASP A 67 -9.299 -1.982 16.352 1.00 0.00 C ATOM 991 OD1 ASP A 67 -9.846 -2.398 17.396 1.00 0.00 O ATOM 992 OD2 ASP A 67 -8.860 -0.826 16.167 1.00 0.00 O ATOM 0 H ASP A 67 -6.835 -2.151 15.051 1.00 0.00 H new ATOM 0 HA ASP A 67 -8.078 -4.445 16.314 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -9.057 -2.429 14.263 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -10.054 -3.581 15.129 1.00 0.00 H new ATOM 997 N ALA A 68 -7.281 -6.080 14.551 1.00 0.00 N ATOM 998 CA ALA A 68 -6.935 -7.109 13.582 1.00 0.00 C ATOM 999 C ALA A 68 -8.031 -8.174 13.505 1.00 0.00 C ATOM 1000 O ALA A 68 -8.450 -8.702 14.535 1.00 0.00 O ATOM 1001 CB ALA A 68 -5.605 -7.740 13.991 1.00 0.00 C ATOM 0 H ALA A 68 -7.087 -6.358 15.513 1.00 0.00 H new ATOM 0 HA ALA A 68 -6.842 -6.659 12.594 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -5.333 -8.514 13.273 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -4.830 -6.974 14.010 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -5.702 -8.183 14.982 1.00 0.00 H new ATOM 1007 N THR A 69 -8.489 -8.495 12.288 1.00 0.00 N ATOM 1008 CA THR A 69 -9.487 -9.531 12.041 1.00 0.00 C ATOM 1009 C THR A 69 -9.239 -10.135 10.659 1.00 0.00 C ATOM 1010 O THR A 69 -9.062 -9.397 9.693 1.00 0.00 O ATOM 1011 CB THR A 69 -10.904 -8.941 12.144 1.00 0.00 C ATOM 1012 OG1 THR A 69 -11.063 -8.252 13.369 1.00 0.00 O ATOM 1013 CG2 THR A 69 -11.971 -10.038 12.062 1.00 0.00 C ATOM 0 H THR A 69 -8.168 -8.032 11.438 1.00 0.00 H new ATOM 0 HA THR A 69 -9.403 -10.316 12.792 1.00 0.00 H new ATOM 0 HB THR A 69 -11.030 -8.254 11.307 1.00 0.00 H new ATOM 0 HG1 THR A 69 -11.968 -7.881 13.420 1.00 0.00 H new ATOM 0 HG21 THR A 69 -12.961 -9.589 12.138 1.00 0.00 H new ATOM 0 HG22 THR A 69 -11.882 -10.562 11.110 1.00 0.00 H new ATOM 0 HG23 THR A 69 -11.830 -10.745 12.880 1.00 0.00 H new ATOM 1021 N LEU A 70 -9.228 -11.470 10.554 1.00 0.00 N ATOM 1022 CA LEU A 70 -8.964 -12.168 9.299 1.00 0.00 C ATOM 1023 C LEU A 70 -10.049 -11.863 8.259 1.00 0.00 C ATOM 1024 O LEU A 70 -11.131 -11.382 8.599 1.00 0.00 O ATOM 1025 CB LEU A 70 -8.878 -13.686 9.532 1.00 0.00 C ATOM 1026 CG LEU A 70 -7.934 -14.119 10.665 1.00 0.00 C ATOM 1027 CD1 LEU A 70 -7.923 -15.648 10.770 1.00 0.00 C ATOM 1028 CD2 LEU A 70 -6.502 -13.623 10.460 1.00 0.00 C ATOM 0 H LEU A 70 -9.403 -12.094 11.342 1.00 0.00 H new ATOM 0 HA LEU A 70 -8.007 -11.812 8.917 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -9.878 -14.062 9.749 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -8.553 -14.162 8.607 1.00 0.00 H new ATOM 0 HG LEU A 70 -8.311 -13.671 11.584 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -7.253 -15.953 11.574 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -8.931 -16.005 10.982 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -7.578 -16.075 9.828 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -5.879 -13.958 11.289 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -6.108 -14.024 9.526 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -6.497 -12.534 10.419 1.00 0.00 H new ATOM 1040 N SER A 71 -9.766 -12.158 6.985 1.00 0.00 N ATOM 1041 CA SER A 71 -10.752 -12.114 5.916 1.00 0.00 C ATOM 1042 C SER A 71 -11.686 -13.322 6.039 1.00 0.00 C ATOM 1043 O SER A 71 -11.486 -14.334 5.367 1.00 0.00 O ATOM 1044 CB SER A 71 -10.041 -12.071 4.558 1.00 0.00 C ATOM 1045 OG SER A 71 -9.113 -13.133 4.447 1.00 0.00 O ATOM 0 H SER A 71 -8.836 -12.436 6.671 1.00 0.00 H new ATOM 0 HA SER A 71 -11.358 -11.212 5.996 1.00 0.00 H new ATOM 0 HB2 SER A 71 -10.775 -12.137 3.755 1.00 0.00 H new ATOM 0 HB3 SER A 71 -9.526 -11.117 4.441 1.00 0.00 H new ATOM 0 HG SER A 71 -9.532 -13.967 4.746 1.00 0.00 H new ATOM 1051 N ASP A 72 -12.699 -13.204 6.904 1.00 0.00 N ATOM 1052 CA ASP A 72 -13.724 -14.213 7.135 1.00 0.00 C ATOM 1053 C ASP A 72 -15.089 -13.543 7.294 1.00 0.00 C ATOM 1054 O ASP A 72 -16.092 -14.224 6.995 1.00 0.00 O ATOM 1055 CB ASP A 72 -13.368 -15.061 8.365 1.00 0.00 C ATOM 1056 CG ASP A 72 -13.438 -14.273 9.674 1.00 0.00 C ATOM 1057 OD1 ASP A 72 -12.431 -13.605 9.996 1.00 0.00 O ATOM 1058 OD2 ASP A 72 -14.496 -14.355 10.335 1.00 0.00 O ATOM 1059 OXT ASP A 72 -15.107 -12.363 7.712 1.00 0.00 O ATOM 0 H ASP A 72 -12.827 -12.372 7.480 1.00 0.00 H new ATOM 0 HA ASP A 72 -13.773 -14.880 6.275 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -14.047 -15.911 8.422 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -12.363 -15.464 8.243 1.00 0.00 H new TER 1064 ASP A 72