USER MOD reduce.3.24.130724 H: found=0, std=0, add=510, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 510 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 10 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 11 CYS SG : rot 180:sc= 0.722 USER MOD Set 1.3: A 14 CYS SG : rot 63:sc= 2.16 USER MOD Set 1.4: A 60 TYR OH : rot 171:sc= 0.619 USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 MET CE :methyl -129:sc= -0.262 (180deg=-0.412) USER MOD Single : A 12 ASN : amide:sc= -0.0561 X(o=-0.056,f=-0.019) USER MOD Single : A 13 HIS : no HE2:sc= 0.703 K(o=0.7,f=-2.6!) USER MOD Single : A 16 MET CE :methyl -176:sc= 0 (180deg=-0.038) USER MOD Single : A 19 THR OG1 : rot 79:sc= 1.3 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00496) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 120:sc= -0.0251 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0.0639 USER MOD Single : A 49 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.0978) USER MOD Single : A 53 GLN : amide:sc= -0.862 K(o=-0.86,f=-2.1) USER MOD Single : A 61 LYS NZ :NH3+ -175:sc=-0.00843 (180deg=-0.0508) USER MOD ----------------------------------------------------------------- ATOM 18 N LEU A 2 -8.351 -3.674 5.249 1.00 0.00 N ATOM 19 CA LEU A 2 -7.719 -4.498 4.233 1.00 0.00 C ATOM 20 C LEU A 2 -6.237 -4.663 4.526 1.00 0.00 C ATOM 21 O LEU A 2 -5.662 -3.935 5.337 1.00 0.00 O ATOM 22 CB LEU A 2 -7.903 -3.843 2.851 1.00 0.00 C ATOM 23 CG LEU A 2 -9.193 -4.297 2.164 1.00 0.00 C ATOM 24 CD1 LEU A 2 -9.576 -3.328 1.044 1.00 0.00 C ATOM 25 CD2 LEU A 2 -9.010 -5.692 1.564 1.00 0.00 C ATOM 0 HA LEU A 2 -8.188 -5.482 4.239 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -7.915 -2.759 2.963 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -7.050 -4.088 2.218 1.00 0.00 H new ATOM 0 HG LEU A 2 -9.984 -4.317 2.914 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -10.496 -3.668 0.568 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -9.730 -2.333 1.461 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -8.776 -3.292 0.304 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -9.935 -6.003 1.078 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -8.204 -5.670 0.830 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -8.760 -6.399 2.355 1.00 0.00 H new ATOM 37 N LYS A 3 -5.631 -5.628 3.839 1.00 0.00 N ATOM 38 CA LYS A 3 -4.217 -5.942 3.944 1.00 0.00 C ATOM 39 C LYS A 3 -3.679 -6.178 2.543 1.00 0.00 C ATOM 40 O LYS A 3 -4.353 -6.759 1.687 1.00 0.00 O ATOM 41 CB LYS A 3 -3.994 -7.139 4.880 1.00 0.00 C ATOM 42 CG LYS A 3 -2.500 -7.391 5.164 1.00 0.00 C ATOM 43 CD LYS A 3 -2.262 -8.692 5.932 1.00 0.00 C ATOM 44 CE LYS A 3 -2.828 -8.630 7.351 1.00 0.00 C ATOM 45 NZ LYS A 3 -2.750 -9.944 8.011 1.00 0.00 N ATOM 0 H LYS A 3 -6.127 -6.226 3.178 1.00 0.00 H new ATOM 0 HA LYS A 3 -3.669 -5.112 4.389 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -4.516 -6.963 5.821 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -4.432 -8.032 4.434 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -1.955 -7.424 4.221 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -2.096 -6.556 5.736 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -2.722 -9.520 5.394 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -1.192 -8.896 5.977 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -2.276 -7.893 7.934 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -3.865 -8.297 7.318 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -3.141 -9.873 8.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -3.297 -10.640 7.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -1.757 -10.248 8.062 1.00 0.00 H new ATOM 59 N LEU A 4 -2.443 -5.749 2.344 1.00 0.00 N ATOM 60 CA LEU A 4 -1.654 -5.818 1.135 1.00 0.00 C ATOM 61 C LEU A 4 -0.224 -6.160 1.525 1.00 0.00 C ATOM 62 O LEU A 4 0.222 -5.885 2.643 1.00 0.00 O ATOM 63 CB LEU A 4 -1.690 -4.441 0.439 1.00 0.00 C ATOM 64 CG LEU A 4 -2.665 -4.451 -0.753 1.00 0.00 C ATOM 65 CD1 LEU A 4 -3.347 -3.101 -0.970 1.00 0.00 C ATOM 66 CD2 LEU A 4 -1.948 -4.837 -2.044 1.00 0.00 C ATOM 0 H LEU A 4 -1.923 -5.303 3.099 1.00 0.00 H new ATOM 0 HA LEU A 4 -2.046 -6.575 0.456 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -1.992 -3.676 1.154 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -0.690 -4.178 0.094 1.00 0.00 H new ATOM 0 HG LEU A 4 -3.427 -5.190 -0.505 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -4.022 -3.168 -1.823 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -3.914 -2.832 -0.078 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -2.592 -2.339 -1.164 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -2.660 -4.836 -2.870 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -1.154 -4.118 -2.248 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -1.517 -5.833 -1.937 1.00 0.00 H new ATOM 78 N LYS A 5 0.501 -6.699 0.558 1.00 0.00 N ATOM 79 CA LYS A 5 1.885 -7.117 0.623 1.00 0.00 C ATOM 80 C LYS A 5 2.586 -6.367 -0.488 1.00 0.00 C ATOM 81 O LYS A 5 2.178 -6.504 -1.640 1.00 0.00 O ATOM 82 CB LYS A 5 1.933 -8.623 0.360 1.00 0.00 C ATOM 83 CG LYS A 5 3.362 -9.173 0.283 1.00 0.00 C ATOM 84 CD LYS A 5 3.309 -10.663 -0.059 1.00 0.00 C ATOM 85 CE LYS A 5 4.607 -11.166 -0.691 1.00 0.00 C ATOM 86 NZ LYS A 5 5.758 -11.082 0.220 1.00 0.00 N ATOM 0 H LYS A 5 0.101 -6.867 -0.365 1.00 0.00 H new ATOM 0 HA LYS A 5 2.352 -6.914 1.587 1.00 0.00 H new ATOM 0 HB2 LYS A 5 1.392 -9.142 1.152 1.00 0.00 H new ATOM 0 HB3 LYS A 5 1.415 -8.840 -0.575 1.00 0.00 H new ATOM 0 HG2 LYS A 5 3.932 -8.634 -0.474 1.00 0.00 H new ATOM 0 HG3 LYS A 5 3.874 -9.024 1.234 1.00 0.00 H new ATOM 0 HD2 LYS A 5 3.105 -11.233 0.847 1.00 0.00 H new ATOM 0 HD3 LYS A 5 2.481 -10.846 -0.744 1.00 0.00 H new ATOM 0 HE2 LYS A 5 4.474 -12.201 -1.006 1.00 0.00 H new ATOM 0 HE3 LYS A 5 4.817 -10.584 -1.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 6.609 -11.436 -0.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 5.906 -10.092 0.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 5.574 -11.659 1.066 1.00 0.00 H new ATOM 100 N VAL A 6 3.607 -5.595 -0.168 1.00 0.00 N ATOM 101 CA VAL A 6 4.400 -4.811 -1.095 1.00 0.00 C ATOM 102 C VAL A 6 5.785 -5.433 -1.186 1.00 0.00 C ATOM 103 O VAL A 6 6.353 -5.887 -0.185 1.00 0.00 O ATOM 104 CB VAL A 6 4.530 -3.350 -0.616 1.00 0.00 C ATOM 105 CG1 VAL A 6 4.839 -2.422 -1.798 1.00 0.00 C ATOM 106 CG2 VAL A 6 3.285 -2.835 0.109 1.00 0.00 C ATOM 0 H VAL A 6 3.922 -5.493 0.797 1.00 0.00 H new ATOM 0 HA VAL A 6 3.910 -4.808 -2.069 1.00 0.00 H new ATOM 0 HB VAL A 6 5.352 -3.344 0.100 1.00 0.00 H new ATOM 0 HG11 VAL A 6 4.927 -1.396 -1.441 1.00 0.00 H new ATOM 0 HG12 VAL A 6 5.776 -2.726 -2.264 1.00 0.00 H new ATOM 0 HG13 VAL A 6 4.033 -2.484 -2.530 1.00 0.00 H new ATOM 0 HG21 VAL A 6 3.445 -1.802 0.418 1.00 0.00 H new ATOM 0 HG22 VAL A 6 2.427 -2.884 -0.562 1.00 0.00 H new ATOM 0 HG23 VAL A 6 3.095 -3.451 0.988 1.00 0.00 H new ATOM 116 N GLU A 7 6.369 -5.371 -2.369 1.00 0.00 N ATOM 117 CA GLU A 7 7.680 -5.881 -2.681 1.00 0.00 C ATOM 118 C GLU A 7 8.380 -4.812 -3.514 1.00 0.00 C ATOM 119 O GLU A 7 7.813 -4.274 -4.475 1.00 0.00 O ATOM 120 CB GLU A 7 7.532 -7.231 -3.381 1.00 0.00 C ATOM 121 CG GLU A 7 8.892 -7.860 -3.686 1.00 0.00 C ATOM 122 CD GLU A 7 8.710 -9.353 -3.924 1.00 0.00 C ATOM 123 OE1 GLU A 7 8.687 -10.110 -2.928 1.00 0.00 O ATOM 124 OE2 GLU A 7 8.497 -9.773 -5.084 1.00 0.00 O ATOM 0 H GLU A 7 5.914 -4.941 -3.174 1.00 0.00 H new ATOM 0 HA GLU A 7 8.293 -6.072 -1.800 1.00 0.00 H new ATOM 0 HB2 GLU A 7 6.951 -7.906 -2.752 1.00 0.00 H new ATOM 0 HB3 GLU A 7 6.974 -7.101 -4.309 1.00 0.00 H new ATOM 0 HG2 GLU A 7 9.335 -7.391 -4.565 1.00 0.00 H new ATOM 0 HG3 GLU A 7 9.578 -7.693 -2.856 1.00 0.00 H new ATOM 131 N GLY A 8 9.602 -4.472 -3.115 1.00 0.00 N ATOM 132 CA GLY A 8 10.439 -3.474 -3.757 1.00 0.00 C ATOM 133 C GLY A 8 10.775 -2.313 -2.826 1.00 0.00 C ATOM 134 O GLY A 8 11.608 -1.486 -3.202 1.00 0.00 O ATOM 0 H GLY A 8 10.049 -4.902 -2.305 1.00 0.00 H new ATOM 0 HA2 GLY A 8 11.362 -3.942 -4.098 1.00 0.00 H new ATOM 0 HA3 GLY A 8 9.930 -3.091 -4.642 1.00 0.00 H new ATOM 138 N MET A 9 10.137 -2.178 -1.653 1.00 0.00 N ATOM 139 CA MET A 9 10.464 -1.084 -0.740 1.00 0.00 C ATOM 140 C MET A 9 11.834 -1.366 -0.126 1.00 0.00 C ATOM 141 O MET A 9 12.106 -2.507 0.256 1.00 0.00 O ATOM 142 CB MET A 9 9.412 -0.922 0.369 1.00 0.00 C ATOM 143 CG MET A 9 8.008 -0.619 -0.167 1.00 0.00 C ATOM 144 SD MET A 9 6.856 0.029 1.080 1.00 0.00 S ATOM 145 CE MET A 9 6.757 -1.392 2.200 1.00 0.00 C ATOM 0 H MET A 9 9.403 -2.805 -1.322 1.00 0.00 H new ATOM 0 HA MET A 9 10.477 -0.151 -1.303 1.00 0.00 H new ATOM 0 HB2 MET A 9 9.377 -1.835 0.963 1.00 0.00 H new ATOM 0 HB3 MET A 9 9.720 -0.118 1.037 1.00 0.00 H new ATOM 0 HG2 MET A 9 8.090 0.103 -0.979 1.00 0.00 H new ATOM 0 HG3 MET A 9 7.589 -1.531 -0.592 1.00 0.00 H new ATOM 0 HE1 MET A 9 5.711 -1.638 2.384 1.00 0.00 H new ATOM 0 HE2 MET A 9 7.257 -2.248 1.747 1.00 0.00 H new ATOM 0 HE3 MET A 9 7.243 -1.146 3.144 1.00 0.00 H new ATOM 155 N THR A 10 12.684 -0.341 -0.009 1.00 0.00 N ATOM 156 CA THR A 10 14.019 -0.491 0.570 1.00 0.00 C ATOM 157 C THR A 10 14.372 0.628 1.564 1.00 0.00 C ATOM 158 O THR A 10 15.319 0.459 2.332 1.00 0.00 O ATOM 159 CB THR A 10 15.071 -0.632 -0.545 1.00 0.00 C ATOM 160 OG1 THR A 10 15.125 0.527 -1.359 1.00 0.00 O ATOM 161 CG2 THR A 10 14.856 -1.858 -1.439 1.00 0.00 C ATOM 0 H THR A 10 12.467 0.609 -0.311 1.00 0.00 H new ATOM 0 HA THR A 10 14.019 -1.409 1.158 1.00 0.00 H new ATOM 0 HB THR A 10 16.018 -0.764 -0.022 1.00 0.00 H new ATOM 0 HG1 THR A 10 15.803 0.406 -2.056 1.00 0.00 H new ATOM 0 HG21 THR A 10 15.634 -1.893 -2.202 1.00 0.00 H new ATOM 0 HG22 THR A 10 14.901 -2.763 -0.833 1.00 0.00 H new ATOM 0 HG23 THR A 10 13.880 -1.791 -1.919 1.00 0.00 H new ATOM 169 N CYS A 11 13.635 1.747 1.585 1.00 0.00 N ATOM 170 CA CYS A 11 13.861 2.871 2.487 1.00 0.00 C ATOM 171 C CYS A 11 12.531 3.567 2.781 1.00 0.00 C ATOM 172 O CYS A 11 11.500 3.232 2.186 1.00 0.00 O ATOM 173 CB CYS A 11 14.853 3.859 1.849 1.00 0.00 C ATOM 174 SG CYS A 11 14.123 4.622 0.364 1.00 0.00 S ATOM 0 H CYS A 11 12.846 1.893 0.956 1.00 0.00 H new ATOM 0 HA CYS A 11 14.284 2.507 3.423 1.00 0.00 H new ATOM 0 HB2 CYS A 11 15.120 4.632 2.569 1.00 0.00 H new ATOM 0 HB3 CYS A 11 15.774 3.339 1.583 1.00 0.00 H new ATOM 0 HG CYS A 11 14.974 5.454 -0.159 1.00 0.00 H new ATOM 180 N ASN A 12 12.558 4.588 3.644 1.00 0.00 N ATOM 181 CA ASN A 12 11.354 5.342 3.993 1.00 0.00 C ATOM 182 C ASN A 12 10.752 6.042 2.780 1.00 0.00 C ATOM 183 O ASN A 12 9.533 6.195 2.732 1.00 0.00 O ATOM 184 CB ASN A 12 11.647 6.407 5.045 1.00 0.00 C ATOM 185 CG ASN A 12 10.387 7.190 5.417 1.00 0.00 C ATOM 186 OD1 ASN A 12 9.583 6.730 6.226 1.00 0.00 O ATOM 187 ND2 ASN A 12 10.173 8.355 4.827 1.00 0.00 N ATOM 0 H ASN A 12 13.404 4.910 4.114 1.00 0.00 H new ATOM 0 HA ASN A 12 10.647 4.611 4.386 1.00 0.00 H new ATOM 0 HB2 ASN A 12 12.060 5.935 5.937 1.00 0.00 H new ATOM 0 HB3 ASN A 12 12.405 7.093 4.668 1.00 0.00 H new ATOM 0 HD21 ASN A 12 9.330 8.888 5.041 1.00 0.00 H new ATOM 0 HD22 ASN A 12 10.851 8.720 4.159 1.00 0.00 H new ATOM 194 N HIS A 13 11.560 6.470 1.795 1.00 0.00 N ATOM 195 CA HIS A 13 10.980 7.135 0.632 1.00 0.00 C ATOM 196 C HIS A 13 10.008 6.174 -0.061 1.00 0.00 C ATOM 197 O HIS A 13 8.963 6.610 -0.544 1.00 0.00 O ATOM 198 CB HIS A 13 12.020 7.738 -0.326 1.00 0.00 C ATOM 199 CG HIS A 13 11.426 8.889 -1.113 1.00 0.00 C ATOM 200 ND1 HIS A 13 10.104 8.999 -1.493 1.00 0.00 N ATOM 201 CD2 HIS A 13 12.050 10.058 -1.460 1.00 0.00 C ATOM 202 CE1 HIS A 13 9.917 10.209 -2.033 1.00 0.00 C ATOM 203 NE2 HIS A 13 11.075 10.896 -2.029 1.00 0.00 N ATOM 0 H HIS A 13 12.575 6.370 1.783 1.00 0.00 H new ATOM 0 HA HIS A 13 10.426 8.005 0.983 1.00 0.00 H new ATOM 0 HB2 HIS A 13 12.883 8.087 0.241 1.00 0.00 H new ATOM 0 HB3 HIS A 13 12.378 6.970 -1.011 1.00 0.00 H new ATOM 0 HD1 HIS A 13 9.390 8.279 -1.381 1.00 0.00 H new ATOM 0 HD2 HIS A 13 13.095 10.292 -1.322 1.00 0.00 H new ATOM 0 HE1 HIS A 13 8.977 10.579 -2.415 1.00 0.00 H new ATOM 211 N CYS A 14 10.317 4.874 -0.079 1.00 0.00 N ATOM 212 CA CYS A 14 9.439 3.884 -0.674 1.00 0.00 C ATOM 213 C CYS A 14 8.158 3.839 0.157 1.00 0.00 C ATOM 214 O CYS A 14 7.070 3.899 -0.399 1.00 0.00 O ATOM 215 CB CYS A 14 10.088 2.500 -0.665 1.00 0.00 C ATOM 216 SG CYS A 14 11.740 2.542 -1.400 1.00 0.00 S ATOM 0 H CYS A 14 11.175 4.490 0.316 1.00 0.00 H new ATOM 0 HA CYS A 14 9.233 4.156 -1.709 1.00 0.00 H new ATOM 0 HB2 CYS A 14 10.153 2.133 0.359 1.00 0.00 H new ATOM 0 HB3 CYS A 14 9.461 1.799 -1.215 1.00 0.00 H new ATOM 0 HG CYS A 14 12.510 3.315 -0.693 1.00 0.00 H new ATOM 222 N VAL A 15 8.285 3.764 1.486 1.00 0.00 N ATOM 223 CA VAL A 15 7.154 3.709 2.402 1.00 0.00 C ATOM 224 C VAL A 15 6.235 4.909 2.177 1.00 0.00 C ATOM 225 O VAL A 15 5.045 4.706 1.945 1.00 0.00 O ATOM 226 CB VAL A 15 7.637 3.602 3.865 1.00 0.00 C ATOM 227 CG1 VAL A 15 6.475 3.525 4.863 1.00 0.00 C ATOM 228 CG2 VAL A 15 8.499 2.355 4.079 1.00 0.00 C ATOM 0 H VAL A 15 9.190 3.740 1.956 1.00 0.00 H new ATOM 0 HA VAL A 15 6.572 2.810 2.198 1.00 0.00 H new ATOM 0 HB VAL A 15 8.215 4.509 4.044 1.00 0.00 H new ATOM 0 HG11 VAL A 15 6.870 3.451 5.876 1.00 0.00 H new ATOM 0 HG12 VAL A 15 5.862 4.422 4.777 1.00 0.00 H new ATOM 0 HG13 VAL A 15 5.866 2.647 4.646 1.00 0.00 H new ATOM 0 HG21 VAL A 15 8.822 2.310 5.119 1.00 0.00 H new ATOM 0 HG22 VAL A 15 7.916 1.465 3.841 1.00 0.00 H new ATOM 0 HG23 VAL A 15 9.373 2.401 3.429 1.00 0.00 H new ATOM 238 N MET A 16 6.738 6.150 2.228 1.00 0.00 N ATOM 239 CA MET A 16 5.893 7.328 2.031 1.00 0.00 C ATOM 240 C MET A 16 5.276 7.351 0.628 1.00 0.00 C ATOM 241 O MET A 16 4.110 7.725 0.494 1.00 0.00 O ATOM 242 CB MET A 16 6.619 8.634 2.408 1.00 0.00 C ATOM 243 CG MET A 16 7.749 9.096 1.473 1.00 0.00 C ATOM 244 SD MET A 16 7.541 10.737 0.710 1.00 0.00 S ATOM 245 CE MET A 16 6.199 10.436 -0.473 1.00 0.00 C ATOM 0 H MET A 16 7.721 6.360 2.403 1.00 0.00 H new ATOM 0 HA MET A 16 5.056 7.254 2.725 1.00 0.00 H new ATOM 0 HB2 MET A 16 5.877 9.431 2.463 1.00 0.00 H new ATOM 0 HB3 MET A 16 7.034 8.515 3.409 1.00 0.00 H new ATOM 0 HG2 MET A 16 8.682 9.096 2.037 1.00 0.00 H new ATOM 0 HG3 MET A 16 7.858 8.359 0.677 1.00 0.00 H new ATOM 0 HE1 MET A 16 6.020 11.339 -1.057 1.00 0.00 H new ATOM 0 HE2 MET A 16 6.479 9.621 -1.141 1.00 0.00 H new ATOM 0 HE3 MET A 16 5.291 10.167 0.067 1.00 0.00 H new ATOM 255 N ALA A 17 6.014 6.933 -0.408 1.00 0.00 N ATOM 256 CA ALA A 17 5.509 6.910 -1.773 1.00 0.00 C ATOM 257 C ALA A 17 4.354 5.910 -1.879 1.00 0.00 C ATOM 258 O ALA A 17 3.266 6.287 -2.317 1.00 0.00 O ATOM 259 CB ALA A 17 6.640 6.604 -2.759 1.00 0.00 C ATOM 0 H ALA A 17 6.975 6.603 -0.317 1.00 0.00 H new ATOM 0 HA ALA A 17 5.120 7.893 -2.037 1.00 0.00 H new ATOM 0 HB1 ALA A 17 6.244 6.591 -3.774 1.00 0.00 H new ATOM 0 HB2 ALA A 17 7.410 7.372 -2.680 1.00 0.00 H new ATOM 0 HB3 ALA A 17 7.073 5.631 -2.526 1.00 0.00 H new ATOM 265 N VAL A 18 4.556 4.676 -1.412 1.00 0.00 N ATOM 266 CA VAL A 18 3.561 3.610 -1.427 1.00 0.00 C ATOM 267 C VAL A 18 2.361 4.051 -0.589 1.00 0.00 C ATOM 268 O VAL A 18 1.220 3.829 -0.989 1.00 0.00 O ATOM 269 CB VAL A 18 4.203 2.295 -0.935 1.00 0.00 C ATOM 270 CG1 VAL A 18 3.175 1.192 -0.654 1.00 0.00 C ATOM 271 CG2 VAL A 18 5.207 1.748 -1.964 1.00 0.00 C ATOM 0 H VAL A 18 5.444 4.386 -1.002 1.00 0.00 H new ATOM 0 HA VAL A 18 3.200 3.417 -2.437 1.00 0.00 H new ATOM 0 HB VAL A 18 4.705 2.553 -0.003 1.00 0.00 H new ATOM 0 HG11 VAL A 18 3.689 0.294 -0.312 1.00 0.00 H new ATOM 0 HG12 VAL A 18 2.481 1.529 0.116 1.00 0.00 H new ATOM 0 HG13 VAL A 18 2.623 0.968 -1.567 1.00 0.00 H new ATOM 0 HG21 VAL A 18 5.643 0.822 -1.590 1.00 0.00 H new ATOM 0 HG22 VAL A 18 4.693 1.553 -2.905 1.00 0.00 H new ATOM 0 HG23 VAL A 18 5.997 2.481 -2.127 1.00 0.00 H new ATOM 281 N THR A 19 2.598 4.698 0.557 1.00 0.00 N ATOM 282 CA THR A 19 1.538 5.183 1.425 1.00 0.00 C ATOM 283 C THR A 19 0.677 6.132 0.597 1.00 0.00 C ATOM 284 O THR A 19 -0.494 5.842 0.377 1.00 0.00 O ATOM 285 CB THR A 19 2.113 5.855 2.687 1.00 0.00 C ATOM 286 OG1 THR A 19 2.899 4.933 3.415 1.00 0.00 O ATOM 287 CG2 THR A 19 1.023 6.356 3.640 1.00 0.00 C ATOM 0 H THR A 19 3.537 4.897 0.903 1.00 0.00 H new ATOM 0 HA THR A 19 0.926 4.359 1.790 1.00 0.00 H new ATOM 0 HB THR A 19 2.701 6.702 2.333 1.00 0.00 H new ATOM 0 HG1 THR A 19 3.779 4.847 2.991 1.00 0.00 H new ATOM 0 HG21 THR A 19 1.486 6.820 4.511 1.00 0.00 H new ATOM 0 HG22 THR A 19 0.400 7.088 3.127 1.00 0.00 H new ATOM 0 HG23 THR A 19 0.406 5.516 3.961 1.00 0.00 H new ATOM 295 N LYS A 20 1.230 7.235 0.078 1.00 0.00 N ATOM 296 CA LYS A 20 0.447 8.186 -0.712 1.00 0.00 C ATOM 297 C LYS A 20 -0.197 7.550 -1.943 1.00 0.00 C ATOM 298 O LYS A 20 -1.304 7.945 -2.309 1.00 0.00 O ATOM 299 CB LYS A 20 1.299 9.399 -1.099 1.00 0.00 C ATOM 300 CG LYS A 20 1.744 10.208 0.131 1.00 0.00 C ATOM 301 CD LYS A 20 2.354 11.523 -0.345 1.00 0.00 C ATOM 302 CE LYS A 20 2.908 12.361 0.807 1.00 0.00 C ATOM 303 NZ LYS A 20 3.119 13.749 0.358 1.00 0.00 N ATOM 0 H LYS A 20 2.212 7.488 0.191 1.00 0.00 H new ATOM 0 HA LYS A 20 -0.373 8.522 -0.077 1.00 0.00 H new ATOM 0 HB2 LYS A 20 2.178 9.064 -1.649 1.00 0.00 H new ATOM 0 HB3 LYS A 20 0.730 10.043 -1.769 1.00 0.00 H new ATOM 0 HG2 LYS A 20 0.893 10.400 0.785 1.00 0.00 H new ATOM 0 HG3 LYS A 20 2.472 9.642 0.713 1.00 0.00 H new ATOM 0 HD2 LYS A 20 3.154 11.313 -1.055 1.00 0.00 H new ATOM 0 HD3 LYS A 20 1.598 12.099 -0.878 1.00 0.00 H new ATOM 0 HE2 LYS A 20 2.215 12.343 1.648 1.00 0.00 H new ATOM 0 HE3 LYS A 20 3.848 11.936 1.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 3.496 14.315 1.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 3.796 13.759 -0.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 2.214 14.153 0.043 1.00 0.00 H new ATOM 317 N ALA A 21 0.456 6.566 -2.560 1.00 0.00 N ATOM 318 CA ALA A 21 -0.067 5.862 -3.720 1.00 0.00 C ATOM 319 C ALA A 21 -1.363 5.173 -3.295 1.00 0.00 C ATOM 320 O ALA A 21 -2.339 5.197 -4.023 1.00 0.00 O ATOM 321 CB ALA A 21 0.961 4.872 -4.265 1.00 0.00 C ATOM 0 H ALA A 21 1.373 6.235 -2.261 1.00 0.00 H new ATOM 0 HA ALA A 21 -0.276 6.557 -4.533 1.00 0.00 H new ATOM 0 HB1 ALA A 21 0.547 4.358 -5.132 1.00 0.00 H new ATOM 0 HB2 ALA A 21 1.863 5.409 -4.558 1.00 0.00 H new ATOM 0 HB3 ALA A 21 1.208 4.142 -3.494 1.00 0.00 H new ATOM 327 N LEU A 22 -1.415 4.587 -2.100 1.00 0.00 N ATOM 328 CA LEU A 22 -2.629 3.946 -1.610 1.00 0.00 C ATOM 329 C LEU A 22 -3.647 5.041 -1.261 1.00 0.00 C ATOM 330 O LEU A 22 -4.835 4.875 -1.502 1.00 0.00 O ATOM 331 CB LEU A 22 -2.304 3.067 -0.388 1.00 0.00 C ATOM 332 CG LEU A 22 -1.498 1.815 -0.781 1.00 0.00 C ATOM 333 CD1 LEU A 22 -0.707 1.258 0.403 1.00 0.00 C ATOM 334 CD2 LEU A 22 -2.411 0.722 -1.339 1.00 0.00 C ATOM 0 H LEU A 22 -0.627 4.544 -1.454 1.00 0.00 H new ATOM 0 HA LEU A 22 -3.054 3.296 -2.375 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -1.738 3.650 0.339 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -3.231 2.764 0.099 1.00 0.00 H new ATOM 0 HG LEU A 22 -0.796 2.125 -1.555 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -0.151 0.375 0.086 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -0.011 2.015 0.764 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -1.394 0.986 1.204 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -1.813 -0.149 -1.608 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -3.145 0.440 -0.584 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -2.926 1.095 -2.224 1.00 0.00 H new ATOM 346 N LYS A 23 -3.211 6.187 -0.721 1.00 0.00 N ATOM 347 CA LYS A 23 -4.100 7.294 -0.340 1.00 0.00 C ATOM 348 C LYS A 23 -4.824 7.947 -1.515 1.00 0.00 C ATOM 349 O LYS A 23 -5.948 8.409 -1.317 1.00 0.00 O ATOM 350 CB LYS A 23 -3.335 8.405 0.409 1.00 0.00 C ATOM 351 CG LYS A 23 -2.558 7.975 1.660 1.00 0.00 C ATOM 352 CD LYS A 23 -3.350 7.773 2.945 1.00 0.00 C ATOM 353 CE LYS A 23 -3.394 8.992 3.858 1.00 0.00 C ATOM 354 NZ LYS A 23 -4.078 10.142 3.257 1.00 0.00 N ATOM 0 H LYS A 23 -2.226 6.374 -0.535 1.00 0.00 H new ATOM 0 HA LYS A 23 -4.843 6.826 0.305 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -2.634 8.866 -0.287 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -4.049 9.176 0.699 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -2.043 7.042 1.432 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -1.790 8.724 1.853 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -4.371 7.491 2.687 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -2.918 6.938 3.496 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -3.897 8.724 4.787 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -2.375 9.279 4.119 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -4.104 10.926 3.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -3.566 10.443 2.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -5.050 9.873 3.001 1.00 0.00 H new ATOM 368 N LYS A 24 -4.219 8.032 -2.706 1.00 0.00 N ATOM 369 CA LYS A 24 -4.876 8.674 -3.856 1.00 0.00 C ATOM 370 C LYS A 24 -6.164 7.967 -4.285 1.00 0.00 C ATOM 371 O LYS A 24 -6.991 8.578 -4.963 1.00 0.00 O ATOM 372 CB LYS A 24 -3.898 8.855 -5.030 1.00 0.00 C ATOM 373 CG LYS A 24 -3.611 7.538 -5.767 1.00 0.00 C ATOM 374 CD LYS A 24 -2.218 7.478 -6.402 1.00 0.00 C ATOM 375 CE LYS A 24 -2.186 8.151 -7.771 1.00 0.00 C ATOM 376 NZ LYS A 24 -0.837 8.099 -8.360 1.00 0.00 N ATOM 0 H LYS A 24 -3.286 7.669 -2.900 1.00 0.00 H new ATOM 0 HA LYS A 24 -5.182 9.666 -3.523 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -4.310 9.579 -5.733 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -2.962 9.270 -4.658 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -3.717 6.710 -5.067 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -4.361 7.396 -6.545 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -1.498 7.962 -5.743 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -1.909 6.437 -6.502 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -2.895 7.660 -8.437 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -2.504 9.189 -7.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -0.846 8.564 -9.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -0.166 8.589 -7.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -0.545 7.107 -8.472 1.00 0.00 H new ATOM 390 N VAL A 25 -6.322 6.698 -3.902 1.00 0.00 N ATOM 391 CA VAL A 25 -7.488 5.895 -4.223 1.00 0.00 C ATOM 392 C VAL A 25 -8.709 6.582 -3.588 1.00 0.00 C ATOM 393 O VAL A 25 -8.676 6.894 -2.389 1.00 0.00 O ATOM 394 CB VAL A 25 -7.255 4.459 -3.724 1.00 0.00 C ATOM 395 CG1 VAL A 25 -8.491 3.565 -3.852 1.00 0.00 C ATOM 396 CG2 VAL A 25 -6.085 3.813 -4.477 1.00 0.00 C ATOM 0 H VAL A 25 -5.626 6.197 -3.350 1.00 0.00 H new ATOM 0 HA VAL A 25 -7.668 5.821 -5.295 1.00 0.00 H new ATOM 0 HB VAL A 25 -7.023 4.543 -2.662 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -8.258 2.566 -3.482 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -9.308 3.987 -3.266 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -8.789 3.504 -4.899 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -5.934 2.797 -4.112 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -6.309 3.785 -5.543 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -5.179 4.397 -4.312 1.00 0.00 H new ATOM 406 N PRO A 26 -9.784 6.836 -4.356 1.00 0.00 N ATOM 407 CA PRO A 26 -10.981 7.493 -3.858 1.00 0.00 C ATOM 408 C PRO A 26 -11.726 6.552 -2.914 1.00 0.00 C ATOM 409 O PRO A 26 -12.388 5.610 -3.355 1.00 0.00 O ATOM 410 CB PRO A 26 -11.774 7.877 -5.106 1.00 0.00 C ATOM 411 CG PRO A 26 -11.367 6.845 -6.156 1.00 0.00 C ATOM 412 CD PRO A 26 -9.930 6.502 -5.769 1.00 0.00 C ATOM 0 HA PRO A 26 -10.780 8.386 -3.266 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -12.847 7.848 -4.918 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -11.534 8.889 -5.432 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -12.012 5.967 -6.129 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -11.426 7.252 -7.165 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -9.725 5.445 -5.940 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -9.221 7.066 -6.375 1.00 0.00 H new ATOM 420 N GLY A 27 -11.598 6.787 -1.611 1.00 0.00 N ATOM 421 CA GLY A 27 -12.225 5.989 -0.563 1.00 0.00 C ATOM 422 C GLY A 27 -11.257 5.701 0.576 1.00 0.00 C ATOM 423 O GLY A 27 -11.656 5.162 1.604 1.00 0.00 O ATOM 0 H GLY A 27 -11.040 7.559 -1.246 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -13.097 6.516 -0.176 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -12.582 5.049 -0.985 1.00 0.00 H new ATOM 427 N VAL A 28 -9.970 5.999 0.406 1.00 0.00 N ATOM 428 CA VAL A 28 -8.959 5.779 1.424 1.00 0.00 C ATOM 429 C VAL A 28 -8.879 7.006 2.314 1.00 0.00 C ATOM 430 O VAL A 28 -8.747 8.131 1.832 1.00 0.00 O ATOM 431 CB VAL A 28 -7.609 5.450 0.769 1.00 0.00 C ATOM 432 CG1 VAL A 28 -6.505 5.214 1.807 1.00 0.00 C ATOM 433 CG2 VAL A 28 -7.766 4.173 -0.050 1.00 0.00 C ATOM 0 H VAL A 28 -9.602 6.404 -0.454 1.00 0.00 H new ATOM 0 HA VAL A 28 -9.228 4.924 2.045 1.00 0.00 H new ATOM 0 HB VAL A 28 -7.323 6.300 0.150 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -5.569 4.985 1.297 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -6.378 6.111 2.413 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -6.782 4.378 2.449 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -6.816 3.925 -0.523 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -8.070 3.356 0.604 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -8.524 4.324 -0.818 1.00 0.00 H new ATOM 443 N GLU A 29 -8.889 6.755 3.616 1.00 0.00 N ATOM 444 CA GLU A 29 -8.813 7.745 4.673 1.00 0.00 C ATOM 445 C GLU A 29 -7.411 7.714 5.266 1.00 0.00 C ATOM 446 O GLU A 29 -6.693 8.718 5.271 1.00 0.00 O ATOM 447 CB GLU A 29 -9.862 7.378 5.734 1.00 0.00 C ATOM 448 CG GLU A 29 -11.277 7.678 5.245 1.00 0.00 C ATOM 449 CD GLU A 29 -11.469 9.185 5.078 1.00 0.00 C ATOM 450 OE1 GLU A 29 -11.603 9.903 6.100 1.00 0.00 O ATOM 451 OE2 GLU A 29 -11.462 9.656 3.918 1.00 0.00 O ATOM 0 H GLU A 29 -8.954 5.804 3.979 1.00 0.00 H new ATOM 0 HA GLU A 29 -9.011 8.749 4.299 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -9.777 6.320 5.981 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -9.666 7.936 6.650 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -11.456 7.174 4.295 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -12.006 7.288 5.956 1.00 0.00 H new ATOM 458 N LYS A 30 -7.005 6.532 5.734 1.00 0.00 N ATOM 459 CA LYS A 30 -5.717 6.290 6.345 1.00 0.00 C ATOM 460 C LYS A 30 -5.193 4.952 5.837 1.00 0.00 C ATOM 461 O LYS A 30 -5.952 4.144 5.282 1.00 0.00 O ATOM 462 CB LYS A 30 -5.923 6.304 7.863 1.00 0.00 C ATOM 463 CG LYS A 30 -4.713 6.810 8.654 1.00 0.00 C ATOM 464 CD LYS A 30 -5.007 6.563 10.136 1.00 0.00 C ATOM 465 CE LYS A 30 -4.101 7.318 11.104 1.00 0.00 C ATOM 466 NZ LYS A 30 -4.532 8.720 11.284 1.00 0.00 N ATOM 0 H LYS A 30 -7.589 5.697 5.692 1.00 0.00 H new ATOM 0 HA LYS A 30 -4.978 7.050 6.090 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -6.784 6.931 8.096 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -6.164 5.294 8.195 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -3.807 6.286 8.349 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -4.546 7.871 8.466 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -6.042 6.841 10.338 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -4.919 5.495 10.336 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -4.100 6.812 12.069 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -3.076 7.298 10.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -3.891 9.198 11.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -4.509 9.211 10.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -5.500 8.740 11.663 1.00 0.00 H new ATOM 480 N VAL A 31 -3.884 4.772 5.957 1.00 0.00 N ATOM 481 CA VAL A 31 -3.141 3.596 5.545 1.00 0.00 C ATOM 482 C VAL A 31 -2.102 3.372 6.642 1.00 0.00 C ATOM 483 O VAL A 31 -1.745 4.296 7.382 1.00 0.00 O ATOM 484 CB VAL A 31 -2.481 3.846 4.161 1.00 0.00 C ATOM 485 CG1 VAL A 31 -1.711 2.668 3.545 1.00 0.00 C ATOM 486 CG2 VAL A 31 -3.486 4.284 3.082 1.00 0.00 C ATOM 0 H VAL A 31 -3.282 5.485 6.368 1.00 0.00 H new ATOM 0 HA VAL A 31 -3.773 2.716 5.426 1.00 0.00 H new ATOM 0 HB VAL A 31 -1.774 4.634 4.420 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -1.298 2.967 2.582 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -0.900 2.375 4.212 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -2.388 1.825 3.404 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -2.962 4.442 2.139 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -4.241 3.509 2.952 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -3.968 5.212 3.389 1.00 0.00 H new ATOM 496 N GLU A 32 -1.583 2.158 6.728 1.00 0.00 N ATOM 497 CA GLU A 32 -0.575 1.746 7.679 1.00 0.00 C ATOM 498 C GLU A 32 0.424 0.930 6.867 1.00 0.00 C ATOM 499 O GLU A 32 0.009 -0.025 6.216 1.00 0.00 O ATOM 500 CB GLU A 32 -1.258 0.928 8.784 1.00 0.00 C ATOM 501 CG GLU A 32 -0.307 0.673 9.949 1.00 0.00 C ATOM 502 CD GLU A 32 0.087 1.980 10.627 1.00 0.00 C ATOM 503 OE1 GLU A 32 -0.770 2.565 11.329 1.00 0.00 O ATOM 504 OE2 GLU A 32 1.235 2.447 10.416 1.00 0.00 O ATOM 0 H GLU A 32 -1.869 1.402 6.106 1.00 0.00 H new ATOM 0 HA GLU A 32 -0.063 2.571 8.175 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -2.140 1.459 9.141 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -1.602 -0.023 8.377 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -0.783 0.012 10.674 1.00 0.00 H new ATOM 0 HG3 GLU A 32 0.586 0.162 9.589 1.00 0.00 H new ATOM 511 N VAL A 33 1.707 1.296 6.847 1.00 0.00 N ATOM 512 CA VAL A 33 2.723 0.574 6.073 1.00 0.00 C ATOM 513 C VAL A 33 3.925 0.256 6.974 1.00 0.00 C ATOM 514 O VAL A 33 4.116 0.893 8.019 1.00 0.00 O ATOM 515 CB VAL A 33 3.086 1.392 4.801 1.00 0.00 C ATOM 516 CG1 VAL A 33 3.983 0.621 3.815 1.00 0.00 C ATOM 517 CG2 VAL A 33 1.840 1.835 4.008 1.00 0.00 C ATOM 0 H VAL A 33 2.071 2.097 7.363 1.00 0.00 H new ATOM 0 HA VAL A 33 2.340 -0.385 5.723 1.00 0.00 H new ATOM 0 HB VAL A 33 3.622 2.256 5.194 1.00 0.00 H new ATOM 0 HG11 VAL A 33 4.198 1.249 2.951 1.00 0.00 H new ATOM 0 HG12 VAL A 33 4.917 0.350 4.308 1.00 0.00 H new ATOM 0 HG13 VAL A 33 3.470 -0.283 3.487 1.00 0.00 H new ATOM 0 HG21 VAL A 33 2.150 2.402 3.130 1.00 0.00 H new ATOM 0 HG22 VAL A 33 1.278 0.956 3.692 1.00 0.00 H new ATOM 0 HG23 VAL A 33 1.210 2.461 4.640 1.00 0.00 H new ATOM 527 N SER A 34 4.735 -0.728 6.577 1.00 0.00 N ATOM 528 CA SER A 34 5.925 -1.165 7.281 1.00 0.00 C ATOM 529 C SER A 34 7.011 -1.495 6.266 1.00 0.00 C ATOM 530 O SER A 34 6.770 -2.279 5.350 1.00 0.00 O ATOM 531 CB SER A 34 5.590 -2.376 8.149 1.00 0.00 C ATOM 532 OG SER A 34 6.734 -2.765 8.880 1.00 0.00 O ATOM 0 H SER A 34 4.566 -1.258 5.722 1.00 0.00 H new ATOM 0 HA SER A 34 6.291 -0.373 7.934 1.00 0.00 H new ATOM 0 HB2 SER A 34 4.775 -2.133 8.831 1.00 0.00 H new ATOM 0 HB3 SER A 34 5.247 -3.201 7.524 1.00 0.00 H new ATOM 0 HG SER A 34 6.543 -2.710 9.840 1.00 0.00 H new ATOM 538 N LEU A 35 8.199 -0.903 6.428 1.00 0.00 N ATOM 539 CA LEU A 35 9.334 -1.146 5.542 1.00 0.00 C ATOM 540 C LEU A 35 9.816 -2.584 5.708 1.00 0.00 C ATOM 541 O LEU A 35 9.949 -3.320 4.733 1.00 0.00 O ATOM 542 CB LEU A 35 10.493 -0.181 5.867 1.00 0.00 C ATOM 543 CG LEU A 35 11.763 -0.418 5.021 1.00 0.00 C ATOM 544 CD1 LEU A 35 11.499 -0.375 3.511 1.00 0.00 C ATOM 545 CD2 LEU A 35 12.805 0.649 5.373 1.00 0.00 C ATOM 0 H LEU A 35 8.397 -0.242 7.179 1.00 0.00 H new ATOM 0 HA LEU A 35 9.012 -0.979 4.514 1.00 0.00 H new ATOM 0 HB2 LEU A 35 10.153 0.843 5.714 1.00 0.00 H new ATOM 0 HB3 LEU A 35 10.748 -0.278 6.922 1.00 0.00 H new ATOM 0 HG LEU A 35 12.122 -1.420 5.257 1.00 0.00 H new ATOM 0 HD11 LEU A 35 12.431 -0.549 2.974 1.00 0.00 H new ATOM 0 HD12 LEU A 35 10.778 -1.148 3.246 1.00 0.00 H new ATOM 0 HD13 LEU A 35 11.100 0.602 3.239 1.00 0.00 H new ATOM 0 HD21 LEU A 35 13.705 0.488 4.780 1.00 0.00 H new ATOM 0 HD22 LEU A 35 12.400 1.638 5.158 1.00 0.00 H new ATOM 0 HD23 LEU A 35 13.052 0.581 6.432 1.00 0.00 H new ATOM 557 N GLU A 36 10.073 -2.967 6.959 1.00 0.00 N ATOM 558 CA GLU A 36 10.562 -4.284 7.326 1.00 0.00 C ATOM 559 C GLU A 36 9.602 -5.396 6.908 1.00 0.00 C ATOM 560 O GLU A 36 9.993 -6.288 6.153 1.00 0.00 O ATOM 561 CB GLU A 36 10.934 -4.330 8.820 1.00 0.00 C ATOM 562 CG GLU A 36 9.857 -3.873 9.828 1.00 0.00 C ATOM 563 CD GLU A 36 10.337 -3.903 11.288 1.00 0.00 C ATOM 564 OE1 GLU A 36 11.384 -4.531 11.578 1.00 0.00 O ATOM 565 OE2 GLU A 36 9.669 -3.282 12.148 1.00 0.00 O ATOM 0 H GLU A 36 9.942 -2.350 7.761 1.00 0.00 H new ATOM 0 HA GLU A 36 11.477 -4.473 6.765 1.00 0.00 H new ATOM 0 HB2 GLU A 36 11.216 -5.354 9.067 1.00 0.00 H new ATOM 0 HB3 GLU A 36 11.819 -3.711 8.967 1.00 0.00 H new ATOM 0 HG2 GLU A 36 9.542 -2.860 9.578 1.00 0.00 H new ATOM 0 HG3 GLU A 36 8.981 -4.514 9.728 1.00 0.00 H new ATOM 572 N LYS A 37 8.342 -5.343 7.352 1.00 0.00 N ATOM 573 CA LYS A 37 7.374 -6.383 7.008 1.00 0.00 C ATOM 574 C LYS A 37 6.940 -6.295 5.553 1.00 0.00 C ATOM 575 O LYS A 37 6.637 -7.323 4.948 1.00 0.00 O ATOM 576 CB LYS A 37 6.154 -6.307 7.938 1.00 0.00 C ATOM 577 CG LYS A 37 6.517 -6.569 9.413 1.00 0.00 C ATOM 578 CD LYS A 37 5.743 -5.682 10.394 1.00 0.00 C ATOM 579 CE LYS A 37 4.425 -6.303 10.852 1.00 0.00 C ATOM 580 NZ LYS A 37 3.689 -5.394 11.751 1.00 0.00 N ATOM 0 H LYS A 37 7.974 -4.598 7.944 1.00 0.00 H new ATOM 0 HA LYS A 37 7.865 -7.346 7.144 1.00 0.00 H new ATOM 0 HB2 LYS A 37 5.695 -5.322 7.850 1.00 0.00 H new ATOM 0 HB3 LYS A 37 5.410 -7.035 7.616 1.00 0.00 H new ATOM 0 HG2 LYS A 37 6.321 -7.615 9.648 1.00 0.00 H new ATOM 0 HG3 LYS A 37 7.586 -6.406 9.552 1.00 0.00 H new ATOM 0 HD2 LYS A 37 6.367 -5.484 11.266 1.00 0.00 H new ATOM 0 HD3 LYS A 37 5.540 -4.720 9.923 1.00 0.00 H new ATOM 0 HE2 LYS A 37 3.809 -6.537 9.983 1.00 0.00 H new ATOM 0 HE3 LYS A 37 4.623 -7.244 11.365 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 2.798 -5.843 12.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 4.269 -5.191 12.590 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 3.480 -4.506 11.252 1.00 0.00 H new ATOM 594 N GLY A 38 6.964 -5.107 4.950 1.00 0.00 N ATOM 595 CA GLY A 38 6.537 -4.924 3.572 1.00 0.00 C ATOM 596 C GLY A 38 5.012 -5.005 3.485 1.00 0.00 C ATOM 597 O GLY A 38 4.476 -5.207 2.406 1.00 0.00 O ATOM 0 H GLY A 38 7.279 -4.250 5.405 1.00 0.00 H new ATOM 0 HA2 GLY A 38 6.880 -3.958 3.201 1.00 0.00 H new ATOM 0 HA3 GLY A 38 6.987 -5.688 2.938 1.00 0.00 H new ATOM 601 N GLU A 39 4.299 -4.961 4.609 1.00 0.00 N ATOM 602 CA GLU A 39 2.847 -5.021 4.660 1.00 0.00 C ATOM 603 C GLU A 39 2.307 -3.598 4.569 1.00 0.00 C ATOM 604 O GLU A 39 2.945 -2.648 5.035 1.00 0.00 O ATOM 605 CB GLU A 39 2.404 -5.610 6.011 1.00 0.00 C ATOM 606 CG GLU A 39 2.077 -7.108 6.024 1.00 0.00 C ATOM 607 CD GLU A 39 1.949 -7.610 7.473 1.00 0.00 C ATOM 608 OE1 GLU A 39 3.001 -7.738 8.145 1.00 0.00 O ATOM 609 OE2 GLU A 39 0.826 -7.834 7.985 1.00 0.00 O ATOM 0 H GLU A 39 4.730 -4.881 5.530 1.00 0.00 H new ATOM 0 HA GLU A 39 2.475 -5.639 3.843 1.00 0.00 H new ATOM 0 HB2 GLU A 39 3.193 -5.426 6.740 1.00 0.00 H new ATOM 0 HB3 GLU A 39 1.523 -5.064 6.350 1.00 0.00 H new ATOM 0 HG2 GLU A 39 1.147 -7.290 5.485 1.00 0.00 H new ATOM 0 HG3 GLU A 39 2.859 -7.663 5.507 1.00 0.00 H new ATOM 616 N ALA A 40 1.106 -3.466 4.016 1.00 0.00 N ATOM 617 CA ALA A 40 0.380 -2.223 3.867 1.00 0.00 C ATOM 618 C ALA A 40 -1.066 -2.557 4.224 1.00 0.00 C ATOM 619 O ALA A 40 -1.562 -3.601 3.813 1.00 0.00 O ATOM 620 CB ALA A 40 0.507 -1.688 2.440 1.00 0.00 C ATOM 0 H ALA A 40 0.593 -4.265 3.644 1.00 0.00 H new ATOM 0 HA ALA A 40 0.772 -1.436 4.512 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -0.047 -0.753 2.351 1.00 0.00 H new ATOM 0 HB2 ALA A 40 1.558 -1.511 2.210 1.00 0.00 H new ATOM 0 HB3 ALA A 40 0.101 -2.418 1.740 1.00 0.00 H new ATOM 626 N LEU A 41 -1.775 -1.700 4.952 1.00 0.00 N ATOM 627 CA LEU A 41 -3.169 -1.923 5.339 1.00 0.00 C ATOM 628 C LEU A 41 -3.913 -0.620 5.092 1.00 0.00 C ATOM 629 O LEU A 41 -3.276 0.437 5.081 1.00 0.00 O ATOM 630 CB LEU A 41 -3.302 -2.380 6.807 1.00 0.00 C ATOM 631 CG LEU A 41 -2.778 -3.806 7.087 1.00 0.00 C ATOM 632 CD1 LEU A 41 -1.319 -3.808 7.567 1.00 0.00 C ATOM 633 CD2 LEU A 41 -3.627 -4.521 8.146 1.00 0.00 C ATOM 0 H LEU A 41 -1.395 -0.818 5.296 1.00 0.00 H new ATOM 0 HA LEU A 41 -3.596 -2.731 4.745 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -2.763 -1.678 7.443 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -4.352 -2.330 7.096 1.00 0.00 H new ATOM 0 HG LEU A 41 -2.844 -4.334 6.136 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -0.998 -4.833 7.750 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -0.684 -3.360 6.803 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -1.239 -3.232 8.489 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -3.229 -5.521 8.317 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -3.599 -3.955 9.077 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -4.657 -4.595 7.797 1.00 0.00 H new ATOM 645 N VAL A 42 -5.229 -0.680 4.899 1.00 0.00 N ATOM 646 CA VAL A 42 -6.080 0.480 4.634 1.00 0.00 C ATOM 647 C VAL A 42 -7.253 0.476 5.605 1.00 0.00 C ATOM 648 O VAL A 42 -7.820 -0.574 5.906 1.00 0.00 O ATOM 649 CB VAL A 42 -6.514 0.452 3.151 1.00 0.00 C ATOM 650 CG1 VAL A 42 -7.747 1.313 2.827 1.00 0.00 C ATOM 651 CG2 VAL A 42 -5.355 0.913 2.250 1.00 0.00 C ATOM 0 H VAL A 42 -5.747 -1.558 4.923 1.00 0.00 H new ATOM 0 HA VAL A 42 -5.541 1.414 4.796 1.00 0.00 H new ATOM 0 HB VAL A 42 -6.789 -0.585 2.958 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -7.978 1.232 1.765 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -8.598 0.964 3.411 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -7.539 2.354 3.075 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -5.673 0.889 1.208 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -5.068 1.930 2.518 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -4.502 0.247 2.385 1.00 0.00 H new ATOM 661 N GLU A 43 -7.649 1.682 6.016 1.00 0.00 N ATOM 662 CA GLU A 43 -8.734 1.949 6.952 1.00 0.00 C ATOM 663 C GLU A 43 -9.959 2.603 6.287 1.00 0.00 C ATOM 664 O GLU A 43 -10.976 2.857 6.936 1.00 0.00 O ATOM 665 CB GLU A 43 -8.112 2.828 8.037 1.00 0.00 C ATOM 666 CG GLU A 43 -8.983 3.048 9.270 1.00 0.00 C ATOM 667 CD GLU A 43 -8.190 3.519 10.492 1.00 0.00 C ATOM 668 OE1 GLU A 43 -7.050 4.022 10.385 1.00 0.00 O ATOM 669 OE2 GLU A 43 -8.684 3.333 11.628 1.00 0.00 O ATOM 0 H GLU A 43 -7.199 2.536 5.688 1.00 0.00 H new ATOM 0 HA GLU A 43 -9.137 1.024 7.365 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -7.171 2.378 8.352 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -7.872 3.799 7.603 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -9.751 3.785 9.037 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -9.497 2.118 9.515 1.00 0.00 H new ATOM 676 N GLY A 44 -9.862 2.918 4.996 1.00 0.00 N ATOM 677 CA GLY A 44 -10.941 3.539 4.239 1.00 0.00 C ATOM 678 C GLY A 44 -11.964 2.514 3.748 1.00 0.00 C ATOM 679 O GLY A 44 -11.893 1.330 4.087 1.00 0.00 O ATOM 0 H GLY A 44 -9.022 2.746 4.443 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -11.441 4.279 4.863 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -10.524 4.072 3.385 1.00 0.00 H new ATOM 683 N THR A 45 -12.906 2.948 2.920 1.00 0.00 N ATOM 684 CA THR A 45 -13.971 2.142 2.328 1.00 0.00 C ATOM 685 C THR A 45 -13.596 1.698 0.906 1.00 0.00 C ATOM 686 O THR A 45 -14.409 1.078 0.210 1.00 0.00 O ATOM 687 CB THR A 45 -15.280 2.952 2.376 1.00 0.00 C ATOM 688 OG1 THR A 45 -15.004 4.316 2.110 1.00 0.00 O ATOM 689 CG2 THR A 45 -15.928 2.837 3.760 1.00 0.00 C ATOM 0 H THR A 45 -12.952 3.924 2.627 1.00 0.00 H new ATOM 0 HA THR A 45 -14.114 1.224 2.898 1.00 0.00 H new ATOM 0 HB THR A 45 -15.963 2.555 1.625 1.00 0.00 H new ATOM 0 HG1 THR A 45 -15.838 4.830 2.139 1.00 0.00 H new ATOM 0 HG21 THR A 45 -16.852 3.415 3.778 1.00 0.00 H new ATOM 0 HG22 THR A 45 -16.150 1.791 3.972 1.00 0.00 H new ATOM 0 HG23 THR A 45 -15.244 3.223 4.515 1.00 0.00 H new ATOM 697 N ALA A 46 -12.358 1.984 0.482 1.00 0.00 N ATOM 698 CA ALA A 46 -11.829 1.635 -0.827 1.00 0.00 C ATOM 699 C ALA A 46 -11.788 0.108 -1.021 1.00 0.00 C ATOM 700 O ALA A 46 -11.908 -0.652 -0.049 1.00 0.00 O ATOM 701 CB ALA A 46 -10.430 2.225 -0.987 1.00 0.00 C ATOM 0 H ALA A 46 -11.683 2.480 1.064 1.00 0.00 H new ATOM 0 HA ALA A 46 -12.488 2.051 -1.589 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -10.035 1.963 -1.968 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -10.480 3.310 -0.894 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -9.775 1.824 -0.213 1.00 0.00 H new ATOM 707 N ASP A 47 -11.559 -0.342 -2.258 1.00 0.00 N ATOM 708 CA ASP A 47 -11.507 -1.760 -2.624 1.00 0.00 C ATOM 709 C ASP A 47 -10.076 -2.296 -2.728 1.00 0.00 C ATOM 710 O ASP A 47 -9.163 -1.543 -3.069 1.00 0.00 O ATOM 711 CB ASP A 47 -12.268 -1.971 -3.939 1.00 0.00 C ATOM 712 CG ASP A 47 -13.752 -2.212 -3.674 1.00 0.00 C ATOM 713 OD1 ASP A 47 -14.060 -3.109 -2.853 1.00 0.00 O ATOM 714 OD2 ASP A 47 -14.610 -1.536 -4.281 1.00 0.00 O ATOM 0 H ASP A 47 -11.401 0.282 -3.049 1.00 0.00 H new ATOM 0 HA ASP A 47 -11.983 -2.328 -1.825 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -12.146 -1.098 -4.579 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -11.847 -2.821 -4.476 1.00 0.00 H new ATOM 719 N PRO A 48 -9.858 -3.608 -2.510 1.00 0.00 N ATOM 720 CA PRO A 48 -8.531 -4.218 -2.559 1.00 0.00 C ATOM 721 C PRO A 48 -7.829 -4.060 -3.899 1.00 0.00 C ATOM 722 O PRO A 48 -6.662 -3.677 -3.967 1.00 0.00 O ATOM 723 CB PRO A 48 -8.733 -5.702 -2.228 1.00 0.00 C ATOM 724 CG PRO A 48 -10.229 -5.963 -2.343 1.00 0.00 C ATOM 725 CD PRO A 48 -10.856 -4.595 -2.119 1.00 0.00 C ATOM 0 HA PRO A 48 -7.878 -3.714 -1.846 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -8.173 -6.334 -2.917 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -8.374 -5.929 -1.224 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -10.490 -6.367 -3.321 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -10.567 -6.684 -1.599 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -11.764 -4.483 -2.712 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -11.140 -4.466 -1.075 1.00 0.00 H new ATOM 733 N LYS A 49 -8.557 -4.363 -4.969 1.00 0.00 N ATOM 734 CA LYS A 49 -8.034 -4.292 -6.324 1.00 0.00 C ATOM 735 C LYS A 49 -7.610 -2.855 -6.647 1.00 0.00 C ATOM 736 O LYS A 49 -6.517 -2.621 -7.154 1.00 0.00 O ATOM 737 CB LYS A 49 -9.029 -4.885 -7.332 1.00 0.00 C ATOM 738 CG LYS A 49 -9.744 -6.157 -6.838 1.00 0.00 C ATOM 739 CD LYS A 49 -11.121 -5.828 -6.236 1.00 0.00 C ATOM 740 CE LYS A 49 -12.248 -5.743 -7.273 1.00 0.00 C ATOM 741 NZ LYS A 49 -12.563 -7.059 -7.867 1.00 0.00 N ATOM 0 H LYS A 49 -9.530 -4.666 -4.918 1.00 0.00 H new ATOM 0 HA LYS A 49 -7.138 -4.908 -6.403 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -9.778 -4.131 -7.573 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -8.499 -5.115 -8.256 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -9.865 -6.854 -7.667 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -9.128 -6.656 -6.090 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -11.376 -6.589 -5.499 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -11.057 -4.878 -5.705 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -13.143 -5.336 -6.802 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -11.960 -5.050 -8.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -13.452 -6.994 -8.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -11.794 -7.344 -8.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -12.665 -7.766 -7.111 1.00 0.00 H new ATOM 755 N ALA A 50 -8.442 -1.875 -6.279 1.00 0.00 N ATOM 756 CA ALA A 50 -8.130 -0.475 -6.527 1.00 0.00 C ATOM 757 C ALA A 50 -6.859 -0.033 -5.790 1.00 0.00 C ATOM 758 O ALA A 50 -6.150 0.856 -6.266 1.00 0.00 O ATOM 759 CB ALA A 50 -9.303 0.406 -6.093 1.00 0.00 C ATOM 0 H ALA A 50 -9.334 -2.031 -5.809 1.00 0.00 H new ATOM 0 HA ALA A 50 -7.955 -0.363 -7.597 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -9.062 1.452 -6.282 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -10.193 0.131 -6.659 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -9.491 0.263 -5.029 1.00 0.00 H new ATOM 765 N LEU A 51 -6.590 -0.617 -4.622 1.00 0.00 N ATOM 766 CA LEU A 51 -5.428 -0.303 -3.800 1.00 0.00 C ATOM 767 C LEU A 51 -4.157 -0.870 -4.422 1.00 0.00 C ATOM 768 O LEU A 51 -3.180 -0.137 -4.569 1.00 0.00 O ATOM 769 CB LEU A 51 -5.642 -0.845 -2.383 1.00 0.00 C ATOM 770 CG LEU A 51 -6.709 -0.068 -1.598 1.00 0.00 C ATOM 771 CD1 LEU A 51 -7.194 -0.924 -0.424 1.00 0.00 C ATOM 772 CD2 LEU A 51 -6.168 1.273 -1.109 1.00 0.00 C ATOM 0 H LEU A 51 -7.188 -1.336 -4.215 1.00 0.00 H new ATOM 0 HA LEU A 51 -5.309 0.779 -3.746 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -5.934 -1.894 -2.441 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -4.698 -0.806 -1.839 1.00 0.00 H new ATOM 0 HG LEU A 51 -7.549 0.146 -2.258 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -7.952 -0.377 0.137 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -7.622 -1.852 -0.803 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -6.353 -1.153 0.231 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -6.946 1.800 -0.557 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -5.311 1.104 -0.456 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -5.859 1.874 -1.964 1.00 0.00 H new ATOM 784 N VAL A 52 -4.152 -2.157 -4.786 1.00 0.00 N ATOM 785 CA VAL A 52 -2.986 -2.782 -5.395 1.00 0.00 C ATOM 786 C VAL A 52 -2.638 -2.061 -6.706 1.00 0.00 C ATOM 787 O VAL A 52 -1.468 -1.767 -6.941 1.00 0.00 O ATOM 788 CB VAL A 52 -3.211 -4.307 -5.512 1.00 0.00 C ATOM 789 CG1 VAL A 52 -4.123 -4.776 -6.639 1.00 0.00 C ATOM 790 CG2 VAL A 52 -1.897 -5.060 -5.644 1.00 0.00 C ATOM 0 H VAL A 52 -4.948 -2.783 -4.666 1.00 0.00 H new ATOM 0 HA VAL A 52 -2.102 -2.674 -4.767 1.00 0.00 H new ATOM 0 HB VAL A 52 -3.723 -4.535 -4.577 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -4.201 -5.863 -6.616 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -5.113 -4.338 -6.512 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -3.708 -4.463 -7.597 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -2.096 -6.129 -5.724 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -1.372 -4.721 -6.537 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -1.279 -4.871 -4.766 1.00 0.00 H new ATOM 800 N GLN A 53 -3.653 -1.705 -7.505 1.00 0.00 N ATOM 801 CA GLN A 53 -3.521 -1.011 -8.780 1.00 0.00 C ATOM 802 C GLN A 53 -2.670 0.247 -8.615 1.00 0.00 C ATOM 803 O GLN A 53 -1.647 0.384 -9.278 1.00 0.00 O ATOM 804 CB GLN A 53 -4.938 -0.695 -9.310 1.00 0.00 C ATOM 805 CG GLN A 53 -5.024 -0.117 -10.733 1.00 0.00 C ATOM 806 CD GLN A 53 -4.498 1.311 -10.904 1.00 0.00 C ATOM 807 OE1 GLN A 53 -3.619 1.552 -11.721 1.00 0.00 O ATOM 808 NE2 GLN A 53 -5.031 2.303 -10.205 1.00 0.00 N ATOM 0 H GLN A 53 -4.624 -1.903 -7.265 1.00 0.00 H new ATOM 0 HA GLN A 53 -3.008 -1.639 -9.508 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -5.527 -1.612 -9.278 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -5.409 0.011 -8.626 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -4.469 -0.772 -11.405 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -6.066 -0.141 -11.053 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -5.764 2.110 -9.522 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -4.708 3.260 -10.350 1.00 0.00 H new ATOM 817 N ALA A 54 -3.068 1.139 -7.704 1.00 0.00 N ATOM 818 CA ALA A 54 -2.374 2.393 -7.459 1.00 0.00 C ATOM 819 C ALA A 54 -0.897 2.237 -7.071 1.00 0.00 C ATOM 820 O ALA A 54 -0.110 3.148 -7.336 1.00 0.00 O ATOM 821 CB ALA A 54 -3.140 3.175 -6.394 1.00 0.00 C ATOM 0 H ALA A 54 -3.889 1.004 -7.114 1.00 0.00 H new ATOM 0 HA ALA A 54 -2.354 2.939 -8.402 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -2.631 4.119 -6.199 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -4.152 3.374 -6.746 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -3.184 2.591 -5.475 1.00 0.00 H new ATOM 827 N VAL A 55 -0.505 1.138 -6.422 1.00 0.00 N ATOM 828 CA VAL A 55 0.885 0.914 -6.022 1.00 0.00 C ATOM 829 C VAL A 55 1.699 0.387 -7.206 1.00 0.00 C ATOM 830 O VAL A 55 2.873 0.740 -7.337 1.00 0.00 O ATOM 831 CB VAL A 55 0.926 0.005 -4.779 1.00 0.00 C ATOM 832 CG1 VAL A 55 2.347 -0.411 -4.373 1.00 0.00 C ATOM 833 CG2 VAL A 55 0.305 0.772 -3.604 1.00 0.00 C ATOM 0 H VAL A 55 -1.139 0.383 -6.160 1.00 0.00 H new ATOM 0 HA VAL A 55 1.356 1.854 -5.733 1.00 0.00 H new ATOM 0 HB VAL A 55 0.378 -0.904 -5.027 1.00 0.00 H new ATOM 0 HG11 VAL A 55 2.301 -1.050 -3.491 1.00 0.00 H new ATOM 0 HG12 VAL A 55 2.814 -0.957 -5.192 1.00 0.00 H new ATOM 0 HG13 VAL A 55 2.936 0.478 -4.147 1.00 0.00 H new ATOM 0 HG21 VAL A 55 0.323 0.147 -2.711 1.00 0.00 H new ATOM 0 HG22 VAL A 55 0.876 1.682 -3.421 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -0.726 1.032 -3.844 1.00 0.00 H new ATOM 843 N GLU A 56 1.093 -0.423 -8.073 1.00 0.00 N ATOM 844 CA GLU A 56 1.763 -0.964 -9.252 1.00 0.00 C ATOM 845 C GLU A 56 2.112 0.208 -10.196 1.00 0.00 C ATOM 846 O GLU A 56 3.118 0.156 -10.908 1.00 0.00 O ATOM 847 CB GLU A 56 0.867 -2.039 -9.888 1.00 0.00 C ATOM 848 CG GLU A 56 0.660 -3.303 -9.041 1.00 0.00 C ATOM 849 CD GLU A 56 1.669 -4.429 -9.251 1.00 0.00 C ATOM 850 OE1 GLU A 56 2.176 -4.644 -10.371 1.00 0.00 O ATOM 851 OE2 GLU A 56 1.823 -5.231 -8.305 1.00 0.00 O ATOM 0 H GLU A 56 0.123 -0.722 -7.977 1.00 0.00 H new ATOM 0 HA GLU A 56 2.702 -1.459 -9.002 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -0.108 -1.599 -10.099 1.00 0.00 H new ATOM 0 HB3 GLU A 56 1.299 -2.329 -10.846 1.00 0.00 H new ATOM 0 HG2 GLU A 56 0.680 -3.017 -7.989 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -0.337 -3.694 -9.247 1.00 0.00 H new ATOM 858 N GLU A 57 1.350 1.316 -10.147 1.00 0.00 N ATOM 859 CA GLU A 57 1.612 2.501 -10.966 1.00 0.00 C ATOM 860 C GLU A 57 2.935 3.174 -10.562 1.00 0.00 C ATOM 861 O GLU A 57 3.442 4.009 -11.316 1.00 0.00 O ATOM 862 CB GLU A 57 0.511 3.566 -10.834 1.00 0.00 C ATOM 863 CG GLU A 57 -0.904 3.106 -11.178 1.00 0.00 C ATOM 864 CD GLU A 57 -1.793 4.288 -11.575 1.00 0.00 C ATOM 865 OE1 GLU A 57 -2.070 5.203 -10.762 1.00 0.00 O ATOM 866 OE2 GLU A 57 -2.221 4.329 -12.753 1.00 0.00 O ATOM 0 H GLU A 57 0.538 1.409 -9.537 1.00 0.00 H new ATOM 0 HA GLU A 57 1.652 2.138 -11.993 1.00 0.00 H new ATOM 0 HB2 GLU A 57 0.513 3.938 -9.809 1.00 0.00 H new ATOM 0 HB3 GLU A 57 0.766 4.407 -11.479 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -0.866 2.386 -11.996 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -1.340 2.592 -10.321 1.00 0.00 H new ATOM 873 N GLU A 58 3.489 2.847 -9.388 1.00 0.00 N ATOM 874 CA GLU A 58 4.723 3.397 -8.860 1.00 0.00 C ATOM 875 C GLU A 58 5.907 2.461 -9.121 1.00 0.00 C ATOM 876 O GLU A 58 7.008 2.739 -8.644 1.00 0.00 O ATOM 877 CB GLU A 58 4.568 3.632 -7.346 1.00 0.00 C ATOM 878 CG GLU A 58 3.378 4.477 -6.892 1.00 0.00 C ATOM 879 CD GLU A 58 3.477 5.915 -7.377 1.00 0.00 C ATOM 880 OE1 GLU A 58 3.126 6.183 -8.544 1.00 0.00 O ATOM 881 OE2 GLU A 58 3.951 6.793 -6.624 1.00 0.00 O ATOM 0 H GLU A 58 3.065 2.163 -8.762 1.00 0.00 H new ATOM 0 HA GLU A 58 4.924 4.341 -9.366 1.00 0.00 H new ATOM 0 HB2 GLU A 58 4.499 2.660 -6.858 1.00 0.00 H new ATOM 0 HB3 GLU A 58 5.479 4.107 -6.982 1.00 0.00 H new ATOM 0 HG2 GLU A 58 2.455 4.032 -7.265 1.00 0.00 H new ATOM 0 HG3 GLU A 58 3.320 4.465 -5.804 1.00 0.00 H new ATOM 888 N GLY A 59 5.705 1.340 -9.822 1.00 0.00 N ATOM 889 CA GLY A 59 6.762 0.383 -10.130 1.00 0.00 C ATOM 890 C GLY A 59 7.010 -0.640 -9.026 1.00 0.00 C ATOM 891 O GLY A 59 8.014 -1.357 -9.081 1.00 0.00 O ATOM 0 H GLY A 59 4.793 1.073 -10.193 1.00 0.00 H new ATOM 0 HA2 GLY A 59 6.505 -0.144 -11.049 1.00 0.00 H new ATOM 0 HA3 GLY A 59 7.687 0.927 -10.322 1.00 0.00 H new ATOM 895 N TYR A 60 6.197 -0.646 -7.968 1.00 0.00 N ATOM 896 CA TYR A 60 6.330 -1.608 -6.880 1.00 0.00 C ATOM 897 C TYR A 60 5.418 -2.772 -7.229 1.00 0.00 C ATOM 898 O TYR A 60 4.520 -2.644 -8.059 1.00 0.00 O ATOM 899 CB TYR A 60 5.990 -1.001 -5.518 1.00 0.00 C ATOM 900 CG TYR A 60 6.967 0.073 -5.081 1.00 0.00 C ATOM 901 CD1 TYR A 60 6.869 1.360 -5.630 1.00 0.00 C ATOM 902 CD2 TYR A 60 8.013 -0.224 -4.189 1.00 0.00 C ATOM 903 CE1 TYR A 60 7.781 2.368 -5.288 1.00 0.00 C ATOM 904 CE2 TYR A 60 8.941 0.775 -3.844 1.00 0.00 C ATOM 905 CZ TYR A 60 8.823 2.080 -4.373 1.00 0.00 C ATOM 906 OH TYR A 60 9.732 3.025 -4.009 1.00 0.00 O ATOM 0 H TYR A 60 5.431 0.016 -7.844 1.00 0.00 H new ATOM 0 HA TYR A 60 7.365 -1.937 -6.784 1.00 0.00 H new ATOM 0 HB2 TYR A 60 4.987 -0.576 -5.557 1.00 0.00 H new ATOM 0 HB3 TYR A 60 5.972 -1.793 -4.769 1.00 0.00 H new ATOM 0 HD1 TYR A 60 6.076 1.578 -6.330 1.00 0.00 H new ATOM 0 HD2 TYR A 60 8.103 -1.216 -3.770 1.00 0.00 H new ATOM 0 HE1 TYR A 60 7.690 3.355 -5.718 1.00 0.00 H new ATOM 0 HE2 TYR A 60 9.751 0.543 -3.169 1.00 0.00 H new ATOM 0 HH TYR A 60 10.274 2.688 -3.265 1.00 0.00 H new ATOM 916 N LYS A 61 5.652 -3.911 -6.597 1.00 0.00 N ATOM 917 CA LYS A 61 4.875 -5.112 -6.836 1.00 0.00 C ATOM 918 C LYS A 61 4.047 -5.326 -5.597 1.00 0.00 C ATOM 919 O LYS A 61 4.611 -5.512 -4.516 1.00 0.00 O ATOM 920 CB LYS A 61 5.815 -6.276 -7.161 1.00 0.00 C ATOM 921 CG LYS A 61 6.459 -6.094 -8.545 1.00 0.00 C ATOM 922 CD LYS A 61 5.544 -6.428 -9.734 1.00 0.00 C ATOM 923 CE LYS A 61 5.067 -7.886 -9.758 1.00 0.00 C ATOM 924 NZ LYS A 61 6.179 -8.859 -9.696 1.00 0.00 N ATOM 0 H LYS A 61 6.389 -4.027 -5.902 1.00 0.00 H new ATOM 0 HA LYS A 61 4.210 -5.030 -7.696 1.00 0.00 H new ATOM 0 HB2 LYS A 61 6.593 -6.344 -6.400 1.00 0.00 H new ATOM 0 HB3 LYS A 61 5.261 -7.214 -7.134 1.00 0.00 H new ATOM 0 HG2 LYS A 61 6.793 -5.061 -8.641 1.00 0.00 H new ATOM 0 HG3 LYS A 61 7.348 -6.723 -8.602 1.00 0.00 H new ATOM 0 HD2 LYS A 61 4.674 -5.771 -9.707 1.00 0.00 H new ATOM 0 HD3 LYS A 61 6.076 -6.214 -10.661 1.00 0.00 H new ATOM 0 HE2 LYS A 61 4.395 -8.057 -8.917 1.00 0.00 H new ATOM 0 HE3 LYS A 61 4.490 -8.059 -10.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 5.803 -9.823 -9.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 6.853 -8.665 -10.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 6.664 -8.774 -8.780 1.00 0.00 H new ATOM 938 N ALA A 62 2.731 -5.219 -5.722 1.00 0.00 N ATOM 939 CA ALA A 62 1.830 -5.401 -4.599 1.00 0.00 C ATOM 940 C ALA A 62 0.857 -6.565 -4.840 1.00 0.00 C ATOM 941 O ALA A 62 0.572 -6.936 -5.982 1.00 0.00 O ATOM 942 CB ALA A 62 1.142 -4.063 -4.301 1.00 0.00 C ATOM 0 H ALA A 62 2.262 -5.004 -6.602 1.00 0.00 H new ATOM 0 HA ALA A 62 2.388 -5.691 -3.709 1.00 0.00 H new ATOM 0 HB1 ALA A 62 0.461 -4.184 -3.459 1.00 0.00 H new ATOM 0 HB2 ALA A 62 1.894 -3.314 -4.055 1.00 0.00 H new ATOM 0 HB3 ALA A 62 0.581 -3.739 -5.178 1.00 0.00 H new ATOM 948 N GLU A 63 0.348 -7.179 -3.769 1.00 0.00 N ATOM 949 CA GLU A 63 -0.613 -8.276 -3.821 1.00 0.00 C ATOM 950 C GLU A 63 -1.474 -8.186 -2.563 1.00 0.00 C ATOM 951 O GLU A 63 -0.963 -7.929 -1.474 1.00 0.00 O ATOM 952 CB GLU A 63 0.063 -9.647 -3.983 1.00 0.00 C ATOM 953 CG GLU A 63 -0.992 -10.768 -3.966 1.00 0.00 C ATOM 954 CD GLU A 63 -0.746 -11.859 -5.005 1.00 0.00 C ATOM 955 OE1 GLU A 63 0.016 -12.812 -4.744 1.00 0.00 O ATOM 956 OE2 GLU A 63 -1.390 -11.837 -6.075 1.00 0.00 O ATOM 0 H GLU A 63 0.602 -6.917 -2.817 1.00 0.00 H new ATOM 0 HA GLU A 63 -1.241 -8.181 -4.707 1.00 0.00 H new ATOM 0 HB2 GLU A 63 0.620 -9.677 -4.919 1.00 0.00 H new ATOM 0 HB3 GLU A 63 0.782 -9.803 -3.179 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -1.012 -11.221 -2.975 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -1.976 -10.331 -4.137 1.00 0.00 H new ATOM 963 N VAL A 64 -2.786 -8.310 -2.723 1.00 0.00 N ATOM 964 CA VAL A 64 -3.769 -8.246 -1.658 1.00 0.00 C ATOM 965 C VAL A 64 -3.675 -9.506 -0.792 1.00 0.00 C ATOM 966 O VAL A 64 -3.346 -10.583 -1.288 1.00 0.00 O ATOM 967 CB VAL A 64 -5.146 -8.100 -2.346 1.00 0.00 C ATOM 968 CG1 VAL A 64 -6.334 -8.196 -1.384 1.00 0.00 C ATOM 969 CG2 VAL A 64 -5.237 -6.759 -3.097 1.00 0.00 C ATOM 0 H VAL A 64 -3.208 -8.464 -3.639 1.00 0.00 H new ATOM 0 HA VAL A 64 -3.603 -7.403 -0.988 1.00 0.00 H new ATOM 0 HB VAL A 64 -5.212 -8.941 -3.036 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -7.264 -8.084 -1.942 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -6.323 -9.167 -0.888 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -6.262 -7.406 -0.637 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -6.213 -6.675 -3.575 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -5.106 -5.938 -2.392 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -4.457 -6.714 -3.857 1.00 0.00 H new ATOM 979 N LEU A 65 -4.018 -9.389 0.491 1.00 0.00 N ATOM 980 CA LEU A 65 -4.042 -10.460 1.486 1.00 0.00 C ATOM 981 C LEU A 65 -5.424 -10.364 2.143 1.00 0.00 C ATOM 982 O LEU A 65 -5.552 -10.050 3.334 1.00 0.00 O ATOM 983 CB LEU A 65 -2.884 -10.319 2.491 1.00 0.00 C ATOM 984 CG LEU A 65 -1.471 -10.575 1.931 1.00 0.00 C ATOM 985 CD1 LEU A 65 -0.455 -10.338 3.054 1.00 0.00 C ATOM 986 CD2 LEU A 65 -1.294 -11.999 1.389 1.00 0.00 C ATOM 0 H LEU A 65 -4.303 -8.493 0.886 1.00 0.00 H new ATOM 0 HA LEU A 65 -3.895 -11.444 1.041 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -2.911 -9.312 2.908 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -3.058 -11.011 3.315 1.00 0.00 H new ATOM 0 HG LEU A 65 -1.315 -9.892 1.096 1.00 0.00 H new ATOM 0 HD11 LEU A 65 0.552 -10.514 2.677 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -0.535 -9.310 3.406 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -0.658 -11.021 3.879 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -0.280 -12.120 1.008 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -1.469 -12.717 2.190 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -2.007 -12.173 0.583 1.00 0.00 H new ATOM 998 N ALA A 66 -6.468 -10.545 1.332 1.00 0.00 N ATOM 999 CA ALA A 66 -7.867 -10.478 1.736 1.00 0.00 C ATOM 1000 C ALA A 66 -8.640 -11.619 1.095 1.00 0.00 C ATOM 1001 O ALA A 66 -9.594 -11.339 0.335 1.00 0.00 O ATOM 1002 CB ALA A 66 -8.422 -9.104 1.336 1.00 0.00 C ATOM 0 H ALA A 66 -6.354 -10.750 0.339 1.00 0.00 H new ATOM 0 HA ALA A 66 -7.968 -10.589 2.816 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -9.469 -9.035 1.630 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -7.852 -8.321 1.837 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -8.340 -8.979 0.256 1.00 0.00 H new