USER MOD reduce.3.24.130724 H: found=0, std=0, add=550, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 546 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 25 ASN : amide:sc= -1.07 K(o=-1.5,f=-0.58) USER MOD Set 1.2: A 38 CYS SG : rot 37:sc= -0.423 USER MOD Set 2.1: A 3 HIS : no HD1:sc= -13.8! C(o=-33!,f=-38!) USER MOD Set 2.2: A 61 HIS : no HD1:sc= -18.8! C(o=-33!,f=-40!) USER MOD Single : A 1 MET CE :methyl -157:sc= -0.0632 (180deg=-0.701) USER MOD Single : A 1 MET N :NH3+ -128:sc=-0.00767 (180deg=-0.328) USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 GLN : amide:sc= -0.178 K(o=-0.18,f=-1) USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -0.221 K(o=-0.22,f=-1.2) USER MOD Single : A 16 HIS : no HE2:sc= -4.27! C(o=-4.3!,f=-6.8!) USER MOD Single : A 17 ASN : amide:sc= -0.593 K(o=-0.59,f=-4!) USER MOD Single : A 23 TYR OH : rot 30:sc= -0.328 USER MOD Single : A 32 HIS : no HD1:sc= 0 X(o=0,f=-0.0034) USER MOD Single : A 39 ASN : amide:sc= -0.269 K(o=-0.27,f=-3!) USER MOD Single : A 41 THR OG1 : rot 180:sc= -0.72 USER MOD Single : A 43 CYS SG : rot -30:sc= -0.65 USER MOD Single : A 45 GLN : amide:sc= -0.291 K(o=-0.29,f=-2.2) USER MOD Single : A 46 THR OG1 : rot 9:sc= 1.01 USER MOD Single : A 48 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 49 SER OG : rot -160:sc= -0.0131 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ -163:sc= -0.0302 (180deg=-0.321) USER MOD Single : A 58 SER OG : rot 170:sc= -0.438 USER MOD Single : A 65 LYS NZ :NH3+ -162:sc= -0.0357 (180deg=-0.372) USER MOD Single : A 70 SER OG : rot -79:sc= 0.787 USER MOD Single : A 72 THR OG1 : rot -21:sc= 0.48 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 12.214 1.320 -4.692 1.00 0.00 N ATOM 2 CA MET A 1 12.325 -0.145 -4.444 1.00 0.00 C ATOM 3 C MET A 1 11.893 -0.451 -3.016 1.00 0.00 C ATOM 4 O MET A 1 12.083 0.362 -2.112 1.00 0.00 O ATOM 5 CB MET A 1 13.775 -0.587 -4.654 1.00 0.00 C ATOM 6 CG MET A 1 14.146 -0.434 -6.130 1.00 0.00 C ATOM 7 SD MET A 1 15.832 -1.042 -6.401 1.00 0.00 S ATOM 8 CE MET A 1 16.722 0.281 -5.542 1.00 0.00 C ATOM 0 H1 MET A 1 11.658 1.485 -5.555 1.00 0.00 H new ATOM 0 H2 MET A 1 11.742 1.774 -3.884 1.00 0.00 H new ATOM 0 H3 MET A 1 13.165 1.725 -4.810 1.00 0.00 H new ATOM 0 HA MET A 1 11.680 -0.685 -5.138 1.00 0.00 H new ATOM 0 HB2 MET A 1 14.443 0.014 -4.036 1.00 0.00 H new ATOM 0 HB3 MET A 1 13.899 -1.624 -4.342 1.00 0.00 H new ATOM 0 HG2 MET A 1 13.444 -0.990 -6.751 1.00 0.00 H new ATOM 0 HG3 MET A 1 14.074 0.612 -6.427 1.00 0.00 H new ATOM 0 HE1 MET A 1 17.743 0.337 -5.919 1.00 0.00 H new ATOM 0 HE2 MET A 1 16.218 1.232 -5.717 1.00 0.00 H new ATOM 0 HE3 MET A 1 16.741 0.072 -4.472 1.00 0.00 H new ATOM 20 N ASP A 2 11.312 -1.631 -2.818 1.00 0.00 N ATOM 21 CA ASP A 2 10.858 -2.037 -1.493 1.00 0.00 C ATOM 22 C ASP A 2 9.911 -0.996 -0.911 1.00 0.00 C ATOM 23 O ASP A 2 9.889 -0.768 0.298 1.00 0.00 O ATOM 24 CB ASP A 2 12.060 -2.217 -0.560 1.00 0.00 C ATOM 25 CG ASP A 2 12.835 -3.474 -0.942 1.00 0.00 C ATOM 26 OD1 ASP A 2 12.269 -4.313 -1.623 1.00 0.00 O ATOM 27 OD2 ASP A 2 13.986 -3.577 -0.551 1.00 0.00 O1- ATOM 0 H ASP A 2 11.146 -2.318 -3.553 1.00 0.00 H new ATOM 0 HA ASP A 2 10.326 -2.984 -1.586 1.00 0.00 H new ATOM 0 HB2 ASP A 2 12.712 -1.346 -0.621 1.00 0.00 H new ATOM 0 HB3 ASP A 2 11.721 -2.289 0.473 1.00 0.00 H new ATOM 32 N HIS A 3 9.129 -0.364 -1.779 1.00 0.00 N ATOM 33 CA HIS A 3 8.186 0.656 -1.339 1.00 0.00 C ATOM 34 C HIS A 3 6.997 0.022 -0.629 1.00 0.00 C ATOM 35 O HIS A 3 5.853 0.172 -1.063 1.00 0.00 O ATOM 36 CB HIS A 3 7.687 1.459 -2.541 1.00 0.00 C ATOM 37 CG HIS A 3 6.999 2.709 -2.063 1.00 0.00 C ATOM 38 ND1 HIS A 3 7.398 3.379 -0.916 1.00 0.00 N ATOM 39 CD2 HIS A 3 5.943 3.429 -2.568 1.00 0.00 C ATOM 40 CE1 HIS A 3 6.595 4.447 -0.769 1.00 0.00 C ATOM 41 NE2 HIS A 3 5.692 4.526 -1.748 1.00 0.00 N ATOM 0 H HIS A 3 9.129 -0.538 -2.784 1.00 0.00 H new ATOM 0 HA HIS A 3 8.701 1.318 -0.643 1.00 0.00 H new ATOM 0 HB2 HIS A 3 8.523 1.718 -3.191 1.00 0.00 H new ATOM 0 HB3 HIS A 3 6.998 0.856 -3.133 1.00 0.00 H new ATOM 0 HD2 HIS A 3 5.392 3.182 -3.464 1.00 0.00 H new ATOM 0 HE1 HIS A 3 6.672 5.155 0.043 1.00 0.00 H new ATOM 0 HE2 HIS A 3 4.972 5.238 -1.870 1.00 0.00 H new ATOM 49 N VAL A 4 7.268 -0.682 0.465 1.00 0.00 N ATOM 50 CA VAL A 4 6.216 -1.334 1.234 1.00 0.00 C ATOM 51 C VAL A 4 5.719 -0.430 2.355 1.00 0.00 C ATOM 52 O VAL A 4 4.670 -0.682 2.947 1.00 0.00 O ATOM 53 CB VAL A 4 6.760 -2.627 1.836 1.00 0.00 C ATOM 54 CG1 VAL A 4 7.071 -3.619 0.713 1.00 0.00 C ATOM 55 CG2 VAL A 4 8.039 -2.334 2.632 1.00 0.00 C ATOM 0 H VAL A 4 8.208 -0.815 0.839 1.00 0.00 H new ATOM 0 HA VAL A 4 5.382 -1.549 0.566 1.00 0.00 H new ATOM 0 HB VAL A 4 6.013 -3.055 2.505 1.00 0.00 H new ATOM 0 HG11 VAL A 4 7.460 -4.543 1.141 1.00 0.00 H new ATOM 0 HG12 VAL A 4 6.160 -3.833 0.154 1.00 0.00 H new ATOM 0 HG13 VAL A 4 7.815 -3.188 0.043 1.00 0.00 H new ATOM 0 HG21 VAL A 4 8.422 -3.261 3.059 1.00 0.00 H new ATOM 0 HG22 VAL A 4 8.789 -1.902 1.969 1.00 0.00 H new ATOM 0 HG23 VAL A 4 7.815 -1.630 3.434 1.00 0.00 H new ATOM 65 N TYR A 5 6.485 0.611 2.657 1.00 0.00 N ATOM 66 CA TYR A 5 6.119 1.530 3.726 1.00 0.00 C ATOM 67 C TYR A 5 4.762 2.169 3.451 1.00 0.00 C ATOM 68 O TYR A 5 3.922 2.274 4.344 1.00 0.00 O ATOM 69 CB TYR A 5 7.177 2.630 3.836 1.00 0.00 C ATOM 70 CG TYR A 5 8.556 2.028 3.735 1.00 0.00 C ATOM 71 CD1 TYR A 5 9.129 1.783 2.480 1.00 0.00 C ATOM 72 CD2 TYR A 5 9.267 1.724 4.895 1.00 0.00 C ATOM 73 CE1 TYR A 5 10.414 1.230 2.394 1.00 0.00 C ATOM 74 CE2 TYR A 5 10.548 1.172 4.813 1.00 0.00 C ATOM 75 CZ TYR A 5 11.123 0.924 3.562 1.00 0.00 C ATOM 76 OH TYR A 5 12.388 0.377 3.479 1.00 0.00 O ATOM 0 H TYR A 5 7.358 0.839 2.180 1.00 0.00 H new ATOM 0 HA TYR A 5 6.061 0.969 4.659 1.00 0.00 H new ATOM 0 HB2 TYR A 5 7.033 3.366 3.045 1.00 0.00 H new ATOM 0 HB3 TYR A 5 7.069 3.157 4.784 1.00 0.00 H new ATOM 0 HD1 TYR A 5 8.581 2.020 1.580 1.00 0.00 H new ATOM 0 HD2 TYR A 5 8.826 1.916 5.862 1.00 0.00 H new ATOM 0 HE1 TYR A 5 10.857 1.040 1.428 1.00 0.00 H new ATOM 0 HE2 TYR A 5 11.094 0.937 5.715 1.00 0.00 H new ATOM 0 HH TYR A 5 12.739 0.227 4.381 1.00 0.00 H new ATOM 86 N LYS A 6 4.557 2.598 2.211 1.00 0.00 N ATOM 87 CA LYS A 6 3.299 3.230 1.837 1.00 0.00 C ATOM 88 C LYS A 6 2.135 2.283 2.098 1.00 0.00 C ATOM 89 O LYS A 6 1.095 2.689 2.615 1.00 0.00 O ATOM 90 CB LYS A 6 3.328 3.613 0.355 1.00 0.00 C ATOM 91 CG LYS A 6 2.054 4.380 -0.005 1.00 0.00 C ATOM 92 CD LYS A 6 2.117 4.810 -1.473 1.00 0.00 C ATOM 93 CE LYS A 6 0.852 5.595 -1.828 1.00 0.00 C ATOM 94 NZ LYS A 6 0.932 6.053 -3.243 1.00 0.00 N1+ ATOM 0 H LYS A 6 5.238 2.521 1.455 1.00 0.00 H new ATOM 0 HA LYS A 6 3.167 4.129 2.439 1.00 0.00 H new ATOM 0 HB2 LYS A 6 4.205 4.226 0.145 1.00 0.00 H new ATOM 0 HB3 LYS A 6 3.411 2.717 -0.260 1.00 0.00 H new ATOM 0 HG2 LYS A 6 1.179 3.753 0.164 1.00 0.00 H new ATOM 0 HG3 LYS A 6 1.949 5.254 0.637 1.00 0.00 H new ATOM 0 HD2 LYS A 6 3.000 5.425 -1.646 1.00 0.00 H new ATOM 0 HD3 LYS A 6 2.207 3.935 -2.116 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -0.029 4.969 -1.687 1.00 0.00 H new ATOM 0 HE3 LYS A 6 0.744 6.452 -1.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 0.072 6.586 -3.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 1.764 6.665 -3.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 1.015 5.228 -3.871 1.00 0.00 H new ATOM 108 N GLY A 7 2.321 1.021 1.737 1.00 0.00 N ATOM 109 CA GLY A 7 1.284 0.018 1.939 1.00 0.00 C ATOM 110 C GLY A 7 1.073 -0.268 3.424 1.00 0.00 C ATOM 111 O GLY A 7 -0.021 -0.647 3.840 1.00 0.00 O ATOM 0 H GLY A 7 3.175 0.668 1.305 1.00 0.00 H new ATOM 0 HA2 GLY A 7 0.350 0.363 1.496 1.00 0.00 H new ATOM 0 HA3 GLY A 7 1.560 -0.902 1.424 1.00 0.00 H new ATOM 115 N GLN A 8 2.126 -0.088 4.219 1.00 0.00 N ATOM 116 CA GLN A 8 2.038 -0.336 5.652 1.00 0.00 C ATOM 117 C GLN A 8 1.326 0.811 6.362 1.00 0.00 C ATOM 118 O GLN A 8 0.408 0.592 7.153 1.00 0.00 O ATOM 119 CB GLN A 8 3.443 -0.506 6.237 1.00 0.00 C ATOM 120 CG GLN A 8 3.354 -0.989 7.689 1.00 0.00 C ATOM 121 CD GLN A 8 2.799 -2.410 7.725 1.00 0.00 C ATOM 122 OE1 GLN A 8 3.147 -3.233 6.881 1.00 0.00 O ATOM 123 NE2 GLN A 8 1.954 -2.747 8.661 1.00 0.00 N ATOM 0 H GLN A 8 3.041 0.226 3.897 1.00 0.00 H new ATOM 0 HA GLN A 8 1.463 -1.249 5.805 1.00 0.00 H new ATOM 0 HB2 GLN A 8 4.009 -1.222 5.641 1.00 0.00 H new ATOM 0 HB3 GLN A 8 3.981 0.441 6.193 1.00 0.00 H new ATOM 0 HG2 GLN A 8 4.340 -0.962 8.153 1.00 0.00 H new ATOM 0 HG3 GLN A 8 2.712 -0.323 8.265 1.00 0.00 H new ATOM 0 HE21 GLN A 8 1.667 -2.062 9.360 1.00 0.00 H new ATOM 0 HE22 GLN A 8 1.581 -3.696 8.693 1.00 0.00 H new ATOM 132 N LEU A 9 1.764 2.030 6.076 1.00 0.00 N ATOM 133 CA LEU A 9 1.171 3.212 6.694 1.00 0.00 C ATOM 134 C LEU A 9 -0.274 3.341 6.295 1.00 0.00 C ATOM 135 O LEU A 9 -1.129 3.688 7.110 1.00 0.00 O ATOM 136 CB LEU A 9 1.943 4.477 6.295 1.00 0.00 C ATOM 137 CG LEU A 9 1.335 5.721 6.972 1.00 0.00 C ATOM 138 CD1 LEU A 9 1.414 5.594 8.504 1.00 0.00 C ATOM 139 CD2 LEU A 9 2.109 6.969 6.514 1.00 0.00 C ATOM 0 H LEU A 9 2.523 2.227 5.424 1.00 0.00 H new ATOM 0 HA LEU A 9 1.229 3.098 7.776 1.00 0.00 H new ATOM 0 HB2 LEU A 9 2.990 4.376 6.581 1.00 0.00 H new ATOM 0 HB3 LEU A 9 1.919 4.598 5.212 1.00 0.00 H new ATOM 0 HG LEU A 9 0.287 5.808 6.687 1.00 0.00 H new ATOM 0 HD11 LEU A 9 0.980 6.481 8.965 1.00 0.00 H new ATOM 0 HD12 LEU A 9 0.861 4.711 8.825 1.00 0.00 H new ATOM 0 HD13 LEU A 9 2.457 5.500 8.808 1.00 0.00 H new ATOM 0 HD21 LEU A 9 1.685 7.854 6.988 1.00 0.00 H new ATOM 0 HD22 LEU A 9 3.157 6.872 6.798 1.00 0.00 H new ATOM 0 HD23 LEU A 9 2.034 7.067 5.431 1.00 0.00 H new ATOM 151 N GLN A 10 -0.551 3.079 5.041 1.00 0.00 N ATOM 152 CA GLN A 10 -1.906 3.197 4.573 1.00 0.00 C ATOM 153 C GLN A 10 -2.812 2.213 5.300 1.00 0.00 C ATOM 154 O GLN A 10 -3.934 2.551 5.681 1.00 0.00 O ATOM 155 CB GLN A 10 -1.956 2.952 3.067 1.00 0.00 C ATOM 156 CG GLN A 10 -3.385 3.127 2.552 1.00 0.00 C ATOM 157 CD GLN A 10 -3.395 3.051 1.027 1.00 0.00 C ATOM 158 OE1 GLN A 10 -3.857 3.978 0.361 1.00 0.00 O ATOM 159 NE2 GLN A 10 -2.897 1.999 0.431 1.00 0.00 N ATOM 0 H GLN A 10 0.130 2.788 4.340 1.00 0.00 H new ATOM 0 HA GLN A 10 -2.263 4.206 4.781 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -1.290 3.647 2.556 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -1.601 1.946 2.843 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -4.029 2.353 2.969 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -3.785 4.086 2.881 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -2.515 1.232 0.985 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -2.891 1.945 -0.588 1.00 0.00 H new ATOM 168 N ALA A 11 -2.316 0.999 5.499 1.00 0.00 N ATOM 169 CA ALA A 11 -3.085 -0.021 6.191 1.00 0.00 C ATOM 170 C ALA A 11 -3.265 0.337 7.663 1.00 0.00 C ATOM 171 O ALA A 11 -4.320 0.084 8.248 1.00 0.00 O ATOM 172 CB ALA A 11 -2.380 -1.372 6.071 1.00 0.00 C ATOM 0 H ALA A 11 -1.390 0.700 5.192 1.00 0.00 H new ATOM 0 HA ALA A 11 -4.070 -0.081 5.728 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -2.961 -2.133 6.592 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -2.288 -1.642 5.019 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -1.387 -1.305 6.517 1.00 0.00 H new ATOM 178 N TYR A 12 -2.224 0.911 8.258 1.00 0.00 N ATOM 179 CA TYR A 12 -2.272 1.286 9.669 1.00 0.00 C ATOM 180 C TYR A 12 -3.365 2.319 9.917 1.00 0.00 C ATOM 181 O TYR A 12 -4.197 2.154 10.809 1.00 0.00 O ATOM 182 CB TYR A 12 -0.921 1.866 10.096 1.00 0.00 C ATOM 183 CG TYR A 12 -1.001 2.333 11.530 1.00 0.00 C ATOM 184 CD1 TYR A 12 -0.792 1.423 12.573 1.00 0.00 C ATOM 185 CD2 TYR A 12 -1.286 3.673 11.819 1.00 0.00 C ATOM 186 CE1 TYR A 12 -0.867 1.852 13.903 1.00 0.00 C ATOM 187 CE2 TYR A 12 -1.362 4.103 13.149 1.00 0.00 C ATOM 188 CZ TYR A 12 -1.153 3.192 14.192 1.00 0.00 C ATOM 189 OH TYR A 12 -1.227 3.614 15.503 1.00 0.00 O ATOM 0 H TYR A 12 -1.343 1.126 7.791 1.00 0.00 H new ATOM 0 HA TYR A 12 -2.493 0.393 10.254 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -0.141 1.112 9.991 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -0.649 2.698 9.446 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -0.573 0.389 12.351 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -1.447 4.376 11.015 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -0.704 1.149 14.707 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -1.582 5.137 13.371 1.00 0.00 H new ATOM 0 HH TYR A 12 -1.433 4.572 15.527 1.00 0.00 H new ATOM 199 N ALA A 13 -3.355 3.388 9.127 1.00 0.00 N ATOM 200 CA ALA A 13 -4.350 4.441 9.275 1.00 0.00 C ATOM 201 C ALA A 13 -5.755 3.873 9.108 1.00 0.00 C ATOM 202 O ALA A 13 -6.646 4.141 9.915 1.00 0.00 O ATOM 203 CB ALA A 13 -4.104 5.545 8.227 1.00 0.00 C ATOM 0 H ALA A 13 -2.674 3.546 8.384 1.00 0.00 H new ATOM 0 HA ALA A 13 -4.262 4.867 10.274 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -4.852 6.330 8.343 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -3.109 5.967 8.370 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -4.177 5.119 7.226 1.00 0.00 H new ATOM 209 N LEU A 14 -5.947 3.097 8.048 1.00 0.00 N ATOM 210 CA LEU A 14 -7.252 2.510 7.782 1.00 0.00 C ATOM 211 C LEU A 14 -7.651 1.565 8.909 1.00 0.00 C ATOM 212 O LEU A 14 -8.796 1.572 9.359 1.00 0.00 O ATOM 213 CB LEU A 14 -7.220 1.739 6.455 1.00 0.00 C ATOM 214 CG LEU A 14 -8.604 1.140 6.139 1.00 0.00 C ATOM 215 CD1 LEU A 14 -9.617 2.255 5.837 1.00 0.00 C ATOM 216 CD2 LEU A 14 -8.478 0.210 4.925 1.00 0.00 C ATOM 0 H LEU A 14 -5.225 2.862 7.367 1.00 0.00 H new ATOM 0 HA LEU A 14 -7.985 3.314 7.717 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -6.914 2.406 5.649 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -6.478 0.943 6.509 1.00 0.00 H new ATOM 0 HG LEU A 14 -8.959 0.579 7.003 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -10.589 1.814 5.616 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -9.705 2.911 6.703 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -9.277 2.832 4.977 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -9.453 -0.219 4.693 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -8.118 0.778 4.067 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -7.774 -0.590 5.151 1.00 0.00 H new ATOM 228 N GLN A 15 -6.709 0.740 9.347 1.00 0.00 N ATOM 229 CA GLN A 15 -6.988 -0.222 10.404 1.00 0.00 C ATOM 230 C GLN A 15 -7.302 0.495 11.713 1.00 0.00 C ATOM 231 O GLN A 15 -8.190 0.084 12.459 1.00 0.00 O ATOM 232 CB GLN A 15 -5.783 -1.147 10.596 1.00 0.00 C ATOM 233 CG GLN A 15 -6.125 -2.261 11.591 1.00 0.00 C ATOM 234 CD GLN A 15 -7.193 -3.178 11.004 1.00 0.00 C ATOM 235 OE1 GLN A 15 -7.201 -3.428 9.798 1.00 0.00 O ATOM 236 NE2 GLN A 15 -8.094 -3.705 11.787 1.00 0.00 N ATOM 0 H GLN A 15 -5.754 0.717 8.990 1.00 0.00 H new ATOM 0 HA GLN A 15 -7.856 -0.814 10.114 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -5.492 -1.581 9.639 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -4.930 -0.574 10.959 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -5.230 -2.837 11.826 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -6.480 -1.828 12.526 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -8.086 -3.497 12.786 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -8.806 -4.325 11.400 1.00 0.00 H new ATOM 245 N HIS A 16 -6.559 1.562 11.988 1.00 0.00 N ATOM 246 CA HIS A 16 -6.752 2.333 13.214 1.00 0.00 C ATOM 247 C HIS A 16 -7.775 3.440 12.998 1.00 0.00 C ATOM 248 O HIS A 16 -8.102 4.182 13.925 1.00 0.00 O ATOM 249 CB HIS A 16 -5.416 2.938 13.661 1.00 0.00 C ATOM 250 CG HIS A 16 -4.512 1.843 14.160 1.00 0.00 C ATOM 251 ND1 HIS A 16 -3.873 0.962 13.300 1.00 0.00 N ATOM 252 CD2 HIS A 16 -4.131 1.473 15.426 1.00 0.00 C ATOM 253 CE1 HIS A 16 -3.149 0.114 14.053 1.00 0.00 C ATOM 254 NE2 HIS A 16 -3.269 0.380 15.357 1.00 0.00 N ATOM 0 H HIS A 16 -5.819 1.913 11.381 1.00 0.00 H new ATOM 0 HA HIS A 16 -7.125 1.665 13.990 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -4.945 3.462 12.829 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -5.583 3.674 14.448 1.00 0.00 H new ATOM 0 HD1 HIS A 16 -3.940 0.958 12.282 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -4.451 1.956 16.338 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -2.544 -0.685 13.652 1.00 0.00 H new ATOM 262 N ASN A 17 -8.282 3.549 11.773 1.00 0.00 N ATOM 263 CA ASN A 17 -9.275 4.575 11.460 1.00 0.00 C ATOM 264 C ASN A 17 -8.717 5.966 11.748 1.00 0.00 C ATOM 265 O ASN A 17 -9.197 6.662 12.644 1.00 0.00 O ATOM 266 CB ASN A 17 -10.540 4.351 12.287 1.00 0.00 C ATOM 267 CG ASN A 17 -11.646 5.274 11.797 1.00 0.00 C ATOM 268 OD1 ASN A 17 -11.397 6.164 10.983 1.00 0.00 O ATOM 269 ND2 ASN A 17 -12.859 5.124 12.252 1.00 0.00 N ATOM 0 H ASN A 17 -8.027 2.948 10.989 1.00 0.00 H new ATOM 0 HA ASN A 17 -9.519 4.504 10.400 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -10.859 3.312 12.207 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -10.335 4.541 13.341 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -13.603 5.744 11.934 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -13.063 4.386 12.926 1.00 0.00 H new ATOM 276 N LEU A 18 -7.701 6.363 10.986 1.00 0.00 N ATOM 277 CA LEU A 18 -7.073 7.676 11.165 1.00 0.00 C ATOM 278 C LEU A 18 -7.026 8.432 9.843 1.00 0.00 C ATOM 279 O LEU A 18 -6.956 7.826 8.770 1.00 0.00 O ATOM 280 CB LEU A 18 -5.653 7.493 11.705 1.00 0.00 C ATOM 281 CG LEU A 18 -5.702 6.746 13.043 1.00 0.00 C ATOM 282 CD1 LEU A 18 -4.275 6.422 13.494 1.00 0.00 C ATOM 283 CD2 LEU A 18 -6.404 7.607 14.113 1.00 0.00 C ATOM 0 H LEU A 18 -7.294 5.799 10.240 1.00 0.00 H new ATOM 0 HA LEU A 18 -7.664 8.254 11.875 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -5.050 6.936 10.988 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -5.176 8.464 11.837 1.00 0.00 H new ATOM 0 HG LEU A 18 -6.266 5.822 12.915 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -4.306 5.891 14.445 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -3.790 5.797 12.745 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -3.712 7.348 13.614 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -6.431 7.063 15.057 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -5.856 8.540 14.247 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -7.422 7.828 13.792 1.00 0.00 H new ATOM 295 N GLU A 19 -7.057 9.760 9.926 1.00 0.00 N ATOM 296 CA GLU A 19 -7.015 10.590 8.732 1.00 0.00 C ATOM 297 C GLU A 19 -5.937 10.082 7.793 1.00 0.00 C ATOM 298 O GLU A 19 -4.799 9.854 8.202 1.00 0.00 O ATOM 299 CB GLU A 19 -6.730 12.044 9.113 1.00 0.00 C ATOM 300 CG GLU A 19 -6.797 12.925 7.865 1.00 0.00 C ATOM 301 CD GLU A 19 -6.578 14.385 8.249 1.00 0.00 C ATOM 302 OE1 GLU A 19 -6.653 14.684 9.429 1.00 0.00 O ATOM 303 OE2 GLU A 19 -6.338 15.181 7.356 1.00 0.00 O1- ATOM 0 H GLU A 19 -7.111 10.279 10.803 1.00 0.00 H new ATOM 0 HA GLU A 19 -7.981 10.540 8.230 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -7.456 12.386 9.851 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -5.745 12.123 9.574 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -6.040 12.611 7.146 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -7.766 12.809 7.379 1.00 0.00 H new ATOM 310 N LEU A 20 -6.303 9.886 6.540 1.00 0.00 N ATOM 311 CA LEU A 20 -5.360 9.378 5.558 1.00 0.00 C ATOM 312 C LEU A 20 -4.023 10.127 5.655 1.00 0.00 C ATOM 313 O LEU A 20 -4.001 11.322 5.950 1.00 0.00 O ATOM 314 CB LEU A 20 -5.931 9.536 4.141 1.00 0.00 C ATOM 315 CG LEU A 20 -6.609 10.929 3.982 1.00 0.00 C ATOM 316 CD1 LEU A 20 -6.230 11.559 2.632 1.00 0.00 C ATOM 317 CD2 LEU A 20 -8.137 10.787 4.052 1.00 0.00 C ATOM 0 H LEU A 20 -7.239 10.069 6.179 1.00 0.00 H new ATOM 0 HA LEU A 20 -5.191 8.321 5.764 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -5.133 9.427 3.406 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -6.656 8.747 3.944 1.00 0.00 H new ATOM 0 HG LEU A 20 -6.262 11.569 4.793 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -6.712 12.532 2.536 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -5.148 11.683 2.579 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -6.561 10.909 1.822 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -8.599 11.768 3.940 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -8.479 10.131 3.251 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -8.419 10.361 5.015 1.00 0.00 H new ATOM 329 N PRO A 21 -2.918 9.463 5.403 1.00 0.00 N ATOM 330 CA PRO A 21 -1.570 10.104 5.454 1.00 0.00 C ATOM 331 C PRO A 21 -1.358 11.085 4.303 1.00 0.00 C ATOM 332 O PRO A 21 -1.940 10.937 3.225 1.00 0.00 O ATOM 333 CB PRO A 21 -0.590 8.919 5.355 1.00 0.00 C ATOM 334 CG PRO A 21 -1.354 7.833 4.665 1.00 0.00 C ATOM 335 CD PRO A 21 -2.827 8.033 5.040 1.00 0.00 C ATOM 0 HA PRO A 21 -1.434 10.695 6.360 1.00 0.00 H new ATOM 0 HB2 PRO A 21 0.302 9.192 4.791 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -0.257 8.600 6.343 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -1.217 7.888 3.585 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -1.003 6.851 4.981 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -3.486 7.791 4.207 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -3.117 7.392 5.872 1.00 0.00 H new ATOM 343 N VAL A 22 -0.502 12.076 4.541 1.00 0.00 N ATOM 344 CA VAL A 22 -0.187 13.081 3.523 1.00 0.00 C ATOM 345 C VAL A 22 1.325 13.236 3.373 1.00 0.00 C ATOM 346 O VAL A 22 2.044 13.416 4.353 1.00 0.00 O ATOM 347 CB VAL A 22 -0.813 14.435 3.903 1.00 0.00 C ATOM 348 CG1 VAL A 22 -0.308 15.535 2.961 1.00 0.00 C ATOM 349 CG2 VAL A 22 -2.340 14.346 3.810 1.00 0.00 C ATOM 0 H VAL A 22 -0.014 12.206 5.427 1.00 0.00 H new ATOM 0 HA VAL A 22 -0.602 12.748 2.572 1.00 0.00 H new ATOM 0 HB VAL A 22 -0.524 14.680 4.925 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -0.758 16.488 3.240 1.00 0.00 H new ATOM 0 HG12 VAL A 22 0.777 15.610 3.037 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -0.583 15.290 1.935 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -2.778 15.307 4.080 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -2.628 14.090 2.790 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -2.702 13.578 4.493 1.00 0.00 H new ATOM 359 N TYR A 23 1.789 13.163 2.130 1.00 0.00 N ATOM 360 CA TYR A 23 3.203 13.296 1.813 1.00 0.00 C ATOM 361 C TYR A 23 3.482 14.661 1.207 1.00 0.00 C ATOM 362 O TYR A 23 2.618 15.257 0.563 1.00 0.00 O ATOM 363 CB TYR A 23 3.623 12.210 0.843 1.00 0.00 C ATOM 364 CG TYR A 23 3.553 10.878 1.544 1.00 0.00 C ATOM 365 CD1 TYR A 23 2.312 10.316 1.857 1.00 0.00 C ATOM 366 CD2 TYR A 23 4.728 10.207 1.877 1.00 0.00 C ATOM 367 CE1 TYR A 23 2.252 9.075 2.504 1.00 0.00 C ATOM 368 CE2 TYR A 23 4.675 8.971 2.522 1.00 0.00 C ATOM 369 CZ TYR A 23 3.436 8.400 2.836 1.00 0.00 C ATOM 370 OH TYR A 23 3.380 7.177 3.473 1.00 0.00 O ATOM 0 H TYR A 23 1.194 13.010 1.316 1.00 0.00 H new ATOM 0 HA TYR A 23 3.776 13.195 2.734 1.00 0.00 H new ATOM 0 HB2 TYR A 23 2.971 12.211 -0.030 1.00 0.00 H new ATOM 0 HB3 TYR A 23 4.636 12.395 0.485 1.00 0.00 H new ATOM 0 HD1 TYR A 23 1.402 10.837 1.601 1.00 0.00 H new ATOM 0 HD2 TYR A 23 5.685 10.646 1.635 1.00 0.00 H new ATOM 0 HE1 TYR A 23 1.295 8.638 2.747 1.00 0.00 H new ATOM 0 HE2 TYR A 23 5.589 8.455 2.779 1.00 0.00 H new ATOM 0 HH TYR A 23 2.560 6.709 3.210 1.00 0.00 H new ATOM 380 N ALA A 24 4.715 15.130 1.393 1.00 0.00 N ATOM 381 CA ALA A 24 5.151 16.420 0.837 1.00 0.00 C ATOM 382 C ALA A 24 6.296 16.191 -0.146 1.00 0.00 C ATOM 383 O ALA A 24 7.114 15.297 0.052 1.00 0.00 O ATOM 384 CB ALA A 24 5.619 17.352 1.958 1.00 0.00 C ATOM 0 H ALA A 24 5.434 14.639 1.924 1.00 0.00 H new ATOM 0 HA ALA A 24 4.310 16.883 0.321 1.00 0.00 H new ATOM 0 HB1 ALA A 24 5.939 18.303 1.531 1.00 0.00 H new ATOM 0 HB2 ALA A 24 4.798 17.524 2.654 1.00 0.00 H new ATOM 0 HB3 ALA A 24 6.454 16.893 2.488 1.00 0.00 H new ATOM 390 N ASN A 25 6.346 16.997 -1.208 1.00 0.00 N ATOM 391 CA ASN A 25 7.395 16.864 -2.221 1.00 0.00 C ATOM 392 C ASN A 25 8.196 18.158 -2.362 1.00 0.00 C ATOM 393 O ASN A 25 7.632 19.220 -2.628 1.00 0.00 O ATOM 394 CB ASN A 25 6.759 16.534 -3.572 1.00 0.00 C ATOM 395 CG ASN A 25 6.028 15.201 -3.497 1.00 0.00 C ATOM 396 OD1 ASN A 25 5.045 14.992 -4.204 1.00 0.00 O ATOM 397 ND2 ASN A 25 6.455 14.282 -2.676 1.00 0.00 N ATOM 0 H ASN A 25 5.676 17.745 -1.389 1.00 0.00 H new ATOM 0 HA ASN A 25 8.068 16.066 -1.907 1.00 0.00 H new ATOM 0 HB2 ASN A 25 6.063 17.323 -3.857 1.00 0.00 H new ATOM 0 HB3 ASN A 25 7.528 16.493 -4.344 1.00 0.00 H new ATOM 0 HD21 ASN A 25 5.973 13.385 -2.619 1.00 0.00 H new ATOM 0 HD22 ASN A 25 7.271 14.460 -2.091 1.00 0.00 H new ATOM 404 N GLU A 26 9.517 18.044 -2.225 1.00 0.00 N ATOM 405 CA GLU A 26 10.409 19.197 -2.380 1.00 0.00 C ATOM 406 C GLU A 26 11.602 18.801 -3.245 1.00 0.00 C ATOM 407 O GLU A 26 12.318 17.848 -2.936 1.00 0.00 O ATOM 408 CB GLU A 26 10.884 19.685 -1.010 1.00 0.00 C ATOM 409 CG GLU A 26 9.689 20.235 -0.233 1.00 0.00 C ATOM 410 CD GLU A 26 10.115 20.627 1.178 1.00 0.00 C ATOM 411 OE1 GLU A 26 11.283 20.461 1.488 1.00 0.00 O ATOM 412 OE2 GLU A 26 9.268 21.087 1.925 1.00 0.00 O1- ATOM 0 H GLU A 26 9.994 17.169 -2.008 1.00 0.00 H new ATOM 0 HA GLU A 26 9.868 20.010 -2.865 1.00 0.00 H new ATOM 0 HB2 GLU A 26 11.346 18.866 -0.459 1.00 0.00 H new ATOM 0 HB3 GLU A 26 11.643 20.458 -1.129 1.00 0.00 H new ATOM 0 HG2 GLU A 26 9.277 21.101 -0.750 1.00 0.00 H new ATOM 0 HG3 GLU A 26 8.899 19.485 -0.187 1.00 0.00 H new ATOM 419 N ARG A 27 11.809 19.538 -4.338 1.00 0.00 N ATOM 420 CA ARG A 27 12.916 19.259 -5.251 1.00 0.00 C ATOM 421 C ARG A 27 13.758 20.502 -5.430 1.00 0.00 C ATOM 422 O ARG A 27 13.305 21.491 -6.003 1.00 0.00 O ATOM 423 CB ARG A 27 12.377 18.831 -6.615 1.00 0.00 C ATOM 424 CG ARG A 27 13.542 18.418 -7.517 1.00 0.00 C ATOM 425 CD ARG A 27 13.012 18.055 -8.897 1.00 0.00 C ATOM 426 NE ARG A 27 12.543 19.250 -9.588 1.00 0.00 N ATOM 427 CZ ARG A 27 11.962 19.170 -10.777 1.00 0.00 C ATOM 428 NH1 ARG A 27 11.796 18.006 -11.344 1.00 0.00 N ATOM 429 NH2 ARG A 27 11.558 20.253 -11.381 1.00 0.00 N1+ ATOM 0 H ARG A 27 11.226 20.329 -4.611 1.00 0.00 H new ATOM 0 HA ARG A 27 13.521 18.457 -4.828 1.00 0.00 H new ATOM 0 HB2 ARG A 27 11.681 18.000 -6.499 1.00 0.00 H new ATOM 0 HB3 ARG A 27 11.822 19.650 -7.072 1.00 0.00 H new ATOM 0 HG2 ARG A 27 14.262 19.233 -7.595 1.00 0.00 H new ATOM 0 HG3 ARG A 27 14.068 17.568 -7.083 1.00 0.00 H new ATOM 0 HD2 ARG A 27 13.797 17.573 -9.480 1.00 0.00 H new ATOM 0 HD3 ARG A 27 12.197 17.337 -8.804 1.00 0.00 H new ATOM 0 HE ARG A 27 12.664 20.163 -9.149 1.00 0.00 H new ATOM 0 HH11 ARG A 27 12.113 17.159 -10.872 1.00 0.00 H new ATOM 0 HH12 ARG A 27 11.349 17.943 -12.259 1.00 0.00 H new ATOM 0 HH21 ARG A 27 11.689 21.163 -10.939 1.00 0.00 H new ATOM 0 HH22 ARG A 27 11.111 20.190 -12.296 1.00 0.00 H new ATOM 443 N GLU A 28 14.988 20.453 -4.952 1.00 0.00 N ATOM 444 CA GLU A 28 15.883 21.594 -5.079 1.00 0.00 C ATOM 445 C GLU A 28 17.315 21.113 -5.190 1.00 0.00 C ATOM 446 O GLU A 28 17.777 20.323 -4.373 1.00 0.00 O ATOM 447 CB GLU A 28 15.765 22.519 -3.853 1.00 0.00 C ATOM 448 CG GLU A 28 14.415 23.251 -3.849 1.00 0.00 C ATOM 449 CD GLU A 28 14.313 24.169 -5.063 1.00 0.00 C ATOM 450 OE1 GLU A 28 15.349 24.523 -5.601 1.00 0.00 O ATOM 451 OE2 GLU A 28 13.202 24.489 -5.448 1.00 0.00 O1- ATOM 0 H GLU A 28 15.389 19.645 -4.476 1.00 0.00 H new ATOM 0 HA GLU A 28 15.602 22.148 -5.975 1.00 0.00 H new ATOM 0 HB2 GLU A 28 15.869 21.934 -2.939 1.00 0.00 H new ATOM 0 HB3 GLU A 28 16.578 23.246 -3.861 1.00 0.00 H new ATOM 0 HG2 GLU A 28 13.600 22.527 -3.861 1.00 0.00 H new ATOM 0 HG3 GLU A 28 14.311 23.833 -2.933 1.00 0.00 H new ATOM 458 N GLY A 29 18.021 21.586 -6.204 1.00 0.00 N ATOM 459 CA GLY A 29 19.411 21.186 -6.388 1.00 0.00 C ATOM 460 C GLY A 29 19.801 21.191 -7.870 1.00 0.00 C ATOM 461 O GLY A 29 19.011 20.756 -8.711 1.00 0.00 O ATOM 0 H GLY A 29 17.664 22.237 -6.903 1.00 0.00 H new ATOM 0 HA2 GLY A 29 20.063 21.863 -5.836 1.00 0.00 H new ATOM 0 HA3 GLY A 29 19.563 20.189 -5.973 1.00 0.00 H new ATOM 465 N PRO A 30 20.987 21.652 -8.219 1.00 0.00 N ATOM 466 CA PRO A 30 21.439 21.670 -9.644 1.00 0.00 C ATOM 467 C PRO A 30 21.115 20.361 -10.388 1.00 0.00 C ATOM 468 O PRO A 30 20.784 19.354 -9.760 1.00 0.00 O ATOM 469 CB PRO A 30 22.960 21.866 -9.540 1.00 0.00 C ATOM 470 CG PRO A 30 23.191 22.572 -8.238 1.00 0.00 C ATOM 471 CD PRO A 30 22.013 22.219 -7.315 1.00 0.00 C ATOM 0 HA PRO A 30 20.933 22.449 -10.214 1.00 0.00 H new ATOM 0 HB2 PRO A 30 23.480 20.909 -9.564 1.00 0.00 H new ATOM 0 HB3 PRO A 30 23.337 22.454 -10.377 1.00 0.00 H new ATOM 0 HG2 PRO A 30 24.136 22.259 -7.793 1.00 0.00 H new ATOM 0 HG3 PRO A 30 23.251 23.650 -8.390 1.00 0.00 H new ATOM 0 HD2 PRO A 30 22.309 21.500 -6.551 1.00 0.00 H new ATOM 0 HD3 PRO A 30 21.639 23.101 -6.795 1.00 0.00 H new ATOM 479 N PRO A 31 21.212 20.353 -11.704 1.00 0.00 N ATOM 480 CA PRO A 31 20.932 19.126 -12.523 1.00 0.00 C ATOM 481 C PRO A 31 21.771 17.920 -12.078 1.00 0.00 C ATOM 482 O PRO A 31 21.251 16.817 -11.911 1.00 0.00 O ATOM 483 CB PRO A 31 21.308 19.542 -13.960 1.00 0.00 C ATOM 484 CG PRO A 31 21.259 21.037 -13.976 1.00 0.00 C ATOM 485 CD PRO A 31 21.591 21.501 -12.555 1.00 0.00 C ATOM 0 HA PRO A 31 19.895 18.806 -12.421 1.00 0.00 H new ATOM 0 HB2 PRO A 31 22.302 19.180 -14.225 1.00 0.00 H new ATOM 0 HB3 PRO A 31 20.612 19.120 -14.684 1.00 0.00 H new ATOM 0 HG2 PRO A 31 21.975 21.440 -14.692 1.00 0.00 H new ATOM 0 HG3 PRO A 31 20.273 21.389 -14.278 1.00 0.00 H new ATOM 0 HD2 PRO A 31 22.649 21.742 -12.451 1.00 0.00 H new ATOM 0 HD3 PRO A 31 21.032 22.398 -12.287 1.00 0.00 H new ATOM 493 N HIS A 32 23.075 18.144 -11.904 1.00 0.00 N ATOM 494 CA HIS A 32 23.989 17.076 -11.495 1.00 0.00 C ATOM 495 C HIS A 32 24.018 16.950 -9.978 1.00 0.00 C ATOM 496 O HIS A 32 24.696 16.083 -9.427 1.00 0.00 O ATOM 497 CB HIS A 32 25.401 17.363 -12.013 1.00 0.00 C ATOM 498 CG HIS A 32 25.418 17.237 -13.511 1.00 0.00 C ATOM 499 ND1 HIS A 32 25.190 18.321 -14.347 1.00 0.00 N ATOM 500 CD2 HIS A 32 25.636 16.164 -14.340 1.00 0.00 C ATOM 501 CE1 HIS A 32 25.277 17.879 -15.616 1.00 0.00 C ATOM 502 NE2 HIS A 32 25.547 16.571 -15.668 1.00 0.00 N ATOM 0 H HIS A 32 23.520 19.052 -12.039 1.00 0.00 H new ATOM 0 HA HIS A 32 23.633 16.138 -11.921 1.00 0.00 H new ATOM 0 HB2 HIS A 32 25.712 18.365 -11.718 1.00 0.00 H new ATOM 0 HB3 HIS A 32 26.112 16.665 -11.570 1.00 0.00 H new ATOM 0 HD2 HIS A 32 25.845 15.157 -14.011 1.00 0.00 H new ATOM 0 HE1 HIS A 32 25.145 18.505 -16.486 1.00 0.00 H new ATOM 0 HE2 HIS A 32 25.663 15.995 -16.502 1.00 0.00 H new ATOM 510 N ALA A 33 23.249 17.804 -9.308 1.00 0.00 N ATOM 511 CA ALA A 33 23.165 17.765 -7.850 1.00 0.00 C ATOM 512 C ALA A 33 21.724 17.973 -7.386 1.00 0.00 C ATOM 513 O ALA A 33 21.431 18.915 -6.648 1.00 0.00 O ATOM 514 CB ALA A 33 24.061 18.852 -7.254 1.00 0.00 C ATOM 0 H ALA A 33 22.679 18.527 -9.747 1.00 0.00 H new ATOM 0 HA ALA A 33 23.501 16.786 -7.508 1.00 0.00 H new ATOM 0 HB1 ALA A 33 23.997 18.821 -6.166 1.00 0.00 H new ATOM 0 HB2 ALA A 33 25.093 18.682 -7.561 1.00 0.00 H new ATOM 0 HB3 ALA A 33 23.733 19.829 -7.609 1.00 0.00 H new ATOM 520 N PRO A 34 20.829 17.101 -7.782 1.00 0.00 N ATOM 521 CA PRO A 34 19.398 17.179 -7.376 1.00 0.00 C ATOM 522 C PRO A 34 19.170 16.579 -5.992 1.00 0.00 C ATOM 523 O PRO A 34 19.799 15.585 -5.630 1.00 0.00 O ATOM 524 CB PRO A 34 18.685 16.366 -8.465 1.00 0.00 C ATOM 525 CG PRO A 34 19.682 15.328 -8.887 1.00 0.00 C ATOM 526 CD PRO A 34 21.080 15.938 -8.660 1.00 0.00 C ATOM 0 HA PRO A 34 19.034 18.203 -7.297 1.00 0.00 H new ATOM 0 HB2 PRO A 34 17.774 15.906 -8.082 1.00 0.00 H new ATOM 0 HB3 PRO A 34 18.394 16.999 -9.304 1.00 0.00 H new ATOM 0 HG2 PRO A 34 19.559 14.414 -8.305 1.00 0.00 H new ATOM 0 HG3 PRO A 34 19.542 15.060 -9.934 1.00 0.00 H new ATOM 0 HD2 PRO A 34 21.755 15.223 -8.190 1.00 0.00 H new ATOM 0 HD3 PRO A 34 21.540 16.241 -9.601 1.00 0.00 H new ATOM 534 N ARG A 35 18.251 17.167 -5.225 1.00 0.00 N ATOM 535 CA ARG A 35 17.938 16.650 -3.892 1.00 0.00 C ATOM 536 C ARG A 35 16.435 16.539 -3.736 1.00 0.00 C ATOM 537 O ARG A 35 15.714 17.492 -4.029 1.00 0.00 O ATOM 538 CB ARG A 35 18.499 17.587 -2.827 1.00 0.00 C ATOM 539 CG ARG A 35 20.010 17.702 -3.015 1.00 0.00 C ATOM 540 CD ARG A 35 20.574 18.716 -2.023 1.00 0.00 C ATOM 541 NE ARG A 35 20.413 18.224 -0.662 1.00 0.00 N ATOM 542 CZ ARG A 35 20.744 18.975 0.380 1.00 0.00 C ATOM 543 NH1 ARG A 35 21.221 20.175 0.195 1.00 0.00 N ATOM 544 NH2 ARG A 35 20.589 18.512 1.591 1.00 0.00 N1+ ATOM 0 H ARG A 35 17.716 17.991 -5.499 1.00 0.00 H new ATOM 0 HA ARG A 35 18.390 15.665 -3.771 1.00 0.00 H new ATOM 0 HB2 ARG A 35 18.034 18.569 -2.906 1.00 0.00 H new ATOM 0 HB3 ARG A 35 18.271 17.206 -1.832 1.00 0.00 H new ATOM 0 HG2 ARG A 35 20.480 16.730 -2.864 1.00 0.00 H new ATOM 0 HG3 ARG A 35 20.237 18.011 -4.035 1.00 0.00 H new ATOM 0 HD2 ARG A 35 21.629 18.893 -2.232 1.00 0.00 H new ATOM 0 HD3 ARG A 35 20.062 19.671 -2.136 1.00 0.00 H new ATOM 0 HE ARG A 35 20.040 17.287 -0.508 1.00 0.00 H new ATOM 0 HH11 ARG A 35 21.340 20.536 -0.751 1.00 0.00 H new ATOM 0 HH12 ARG A 35 21.475 20.752 0.997 1.00 0.00 H new ATOM 0 HH21 ARG A 35 20.214 17.574 1.734 1.00 0.00 H new ATOM 0 HH22 ARG A 35 20.843 19.088 2.394 1.00 0.00 H new ATOM 558 N PHE A 36 15.953 15.385 -3.267 1.00 0.00 N ATOM 559 CA PHE A 36 14.513 15.211 -3.083 1.00 0.00 C ATOM 560 C PHE A 36 14.164 15.037 -1.626 1.00 0.00 C ATOM 561 O PHE A 36 14.362 13.973 -1.068 1.00 0.00 O ATOM 562 CB PHE A 36 14.068 13.958 -3.806 1.00 0.00 C ATOM 563 CG PHE A 36 14.431 14.081 -5.243 1.00 0.00 C ATOM 564 CD1 PHE A 36 13.582 14.771 -6.095 1.00 0.00 C ATOM 565 CD2 PHE A 36 15.606 13.509 -5.722 1.00 0.00 C ATOM 566 CE1 PHE A 36 13.898 14.892 -7.444 1.00 0.00 C ATOM 567 CE2 PHE A 36 15.929 13.622 -7.070 1.00 0.00 C ATOM 568 CZ PHE A 36 15.072 14.311 -7.940 1.00 0.00 C ATOM 0 H PHE A 36 16.523 14.578 -3.014 1.00 0.00 H new ATOM 0 HA PHE A 36 14.018 16.100 -3.474 1.00 0.00 H new ATOM 0 HB2 PHE A 36 14.545 13.081 -3.370 1.00 0.00 H new ATOM 0 HB3 PHE A 36 12.992 13.822 -3.699 1.00 0.00 H new ATOM 0 HD1 PHE A 36 12.675 15.215 -5.711 1.00 0.00 H new ATOM 0 HD2 PHE A 36 16.264 12.979 -5.049 1.00 0.00 H new ATOM 0 HE1 PHE A 36 13.240 15.433 -8.108 1.00 0.00 H new ATOM 0 HE2 PHE A 36 16.839 13.179 -7.446 1.00 0.00 H new ATOM 0 HZ PHE A 36 15.316 14.393 -8.989 1.00 0.00 H new ATOM 578 N ARG A 37 13.630 16.079 -1.013 1.00 0.00 N ATOM 579 CA ARG A 37 13.249 16.004 0.396 1.00 0.00 C ATOM 580 C ARG A 37 11.743 15.816 0.525 1.00 0.00 C ATOM 581 O ARG A 37 10.965 16.738 0.284 1.00 0.00 O ATOM 582 CB ARG A 37 13.666 17.292 1.120 1.00 0.00 C ATOM 583 CG ARG A 37 15.195 17.378 1.211 1.00 0.00 C ATOM 584 CD ARG A 37 15.599 18.686 1.905 1.00 0.00 C ATOM 585 NE ARG A 37 15.289 19.832 1.055 1.00 0.00 N ATOM 586 CZ ARG A 37 15.557 21.074 1.450 1.00 0.00 C ATOM 587 NH1 ARG A 37 16.112 21.285 2.613 1.00 0.00 N ATOM 588 NH2 ARG A 37 15.267 22.082 0.674 1.00 0.00 N1+ ATOM 0 H ARG A 37 13.450 16.979 -1.458 1.00 0.00 H new ATOM 0 HA ARG A 37 13.756 15.152 0.849 1.00 0.00 H new ATOM 0 HB2 ARG A 37 13.277 18.160 0.587 1.00 0.00 H new ATOM 0 HB3 ARG A 37 13.233 17.312 2.120 1.00 0.00 H new ATOM 0 HG2 ARG A 37 15.584 16.525 1.767 1.00 0.00 H new ATOM 0 HG3 ARG A 37 15.631 17.335 0.213 1.00 0.00 H new ATOM 0 HD2 ARG A 37 15.073 18.778 2.855 1.00 0.00 H new ATOM 0 HD3 ARG A 37 16.665 18.671 2.131 1.00 0.00 H new ATOM 0 HE ARG A 37 14.860 19.678 0.143 1.00 0.00 H new ATOM 0 HH11 ARG A 37 16.340 20.497 3.219 1.00 0.00 H new ATOM 0 HH12 ARG A 37 16.317 22.237 2.915 1.00 0.00 H new ATOM 0 HH21 ARG A 37 14.835 21.918 -0.235 1.00 0.00 H new ATOM 0 HH22 ARG A 37 15.472 23.034 0.977 1.00 0.00 H new ATOM 602 N CYS A 38 11.333 14.604 0.887 1.00 0.00 N ATOM 603 CA CYS A 38 9.915 14.296 1.035 1.00 0.00 C ATOM 604 C CYS A 38 9.567 14.098 2.500 1.00 0.00 C ATOM 605 O CYS A 38 10.161 13.262 3.183 1.00 0.00 O ATOM 606 CB CYS A 38 9.570 13.028 0.259 1.00 0.00 C ATOM 607 SG CYS A 38 7.790 12.720 0.359 1.00 0.00 S ATOM 0 H CYS A 38 11.959 13.823 1.082 1.00 0.00 H new ATOM 0 HA CYS A 38 9.339 15.132 0.640 1.00 0.00 H new ATOM 0 HB2 CYS A 38 9.873 13.133 -0.783 1.00 0.00 H new ATOM 0 HB3 CYS A 38 10.120 12.179 0.666 1.00 0.00 H new ATOM 0 HG CYS A 38 7.151 13.852 0.324 1.00 0.00 H new ATOM 613 N ASN A 39 8.589 14.864 2.973 1.00 0.00 N ATOM 614 CA ASN A 39 8.146 14.762 4.364 1.00 0.00 C ATOM 615 C ASN A 39 6.794 14.070 4.422 1.00 0.00 C ATOM 616 O ASN A 39 5.999 14.156 3.485 1.00 0.00 O ATOM 617 CB ASN A 39 8.038 16.151 4.994 1.00 0.00 C ATOM 618 CG ASN A 39 9.426 16.749 5.167 1.00 0.00 C ATOM 619 OD1 ASN A 39 10.419 16.022 5.170 1.00 0.00 O ATOM 620 ND2 ASN A 39 9.559 18.039 5.311 1.00 0.00 N ATOM 0 H ASN A 39 8.089 15.559 2.419 1.00 0.00 H new ATOM 0 HA ASN A 39 8.879 14.179 4.922 1.00 0.00 H new ATOM 0 HB2 ASN A 39 7.429 16.799 4.364 1.00 0.00 H new ATOM 0 HB3 ASN A 39 7.538 16.084 5.960 1.00 0.00 H new ATOM 0 HD21 ASN A 39 10.487 18.446 5.426 1.00 0.00 H new ATOM 0 HD22 ASN A 39 8.735 18.640 5.308 1.00 0.00 H new ATOM 627 N VAL A 40 6.539 13.376 5.528 1.00 0.00 N ATOM 628 CA VAL A 40 5.274 12.661 5.706 1.00 0.00 C ATOM 629 C VAL A 40 4.535 13.201 6.918 1.00 0.00 C ATOM 630 O VAL A 40 5.030 13.132 8.040 1.00 0.00 O ATOM 631 CB VAL A 40 5.540 11.159 5.889 1.00 0.00 C ATOM 632 CG1 VAL A 40 6.578 10.936 6.999 1.00 0.00 C ATOM 633 CG2 VAL A 40 4.237 10.441 6.264 1.00 0.00 C ATOM 0 H VAL A 40 7.186 13.292 6.312 1.00 0.00 H new ATOM 0 HA VAL A 40 4.659 12.810 4.818 1.00 0.00 H new ATOM 0 HB VAL A 40 5.923 10.756 4.952 1.00 0.00 H new ATOM 0 HG11 VAL A 40 6.758 9.868 7.119 1.00 0.00 H new ATOM 0 HG12 VAL A 40 7.510 11.433 6.731 1.00 0.00 H new ATOM 0 HG13 VAL A 40 6.203 11.349 7.936 1.00 0.00 H new ATOM 0 HG21 VAL A 40 4.432 9.376 6.392 1.00 0.00 H new ATOM 0 HG22 VAL A 40 3.849 10.854 7.195 1.00 0.00 H new ATOM 0 HG23 VAL A 40 3.503 10.582 5.471 1.00 0.00 H new ATOM 643 N THR A 41 3.336 13.724 6.682 1.00 0.00 N ATOM 644 CA THR A 41 2.515 14.265 7.767 1.00 0.00 C ATOM 645 C THR A 41 1.542 13.207 8.268 1.00 0.00 C ATOM 646 O THR A 41 0.710 12.706 7.509 1.00 0.00 O ATOM 647 CB THR A 41 1.734 15.485 7.283 1.00 0.00 C ATOM 648 OG1 THR A 41 2.642 16.486 6.848 1.00 0.00 O ATOM 649 CG2 THR A 41 0.877 16.031 8.429 1.00 0.00 C ATOM 0 H THR A 41 2.911 13.786 5.757 1.00 0.00 H new ATOM 0 HA THR A 41 3.175 14.562 8.582 1.00 0.00 H new ATOM 0 HB THR A 41 1.088 15.198 6.454 1.00 0.00 H new ATOM 0 HG1 THR A 41 2.141 17.268 6.536 1.00 0.00 H new ATOM 0 HG21 THR A 41 0.320 16.902 8.084 1.00 0.00 H new ATOM 0 HG22 THR A 41 0.180 15.262 8.760 1.00 0.00 H new ATOM 0 HG23 THR A 41 1.521 16.319 9.260 1.00 0.00 H new ATOM 657 N PHE A 42 1.646 12.867 9.554 1.00 0.00 N ATOM 658 CA PHE A 42 0.766 11.861 10.151 1.00 0.00 C ATOM 659 C PHE A 42 0.376 12.276 11.571 1.00 0.00 C ATOM 660 O PHE A 42 1.211 12.758 12.338 1.00 0.00 O ATOM 661 CB PHE A 42 1.492 10.493 10.187 1.00 0.00 C ATOM 662 CG PHE A 42 0.484 9.368 10.108 1.00 0.00 C ATOM 663 CD1 PHE A 42 -0.302 9.257 8.966 1.00 0.00 C ATOM 664 CD2 PHE A 42 0.325 8.448 11.159 1.00 0.00 C ATOM 665 CE1 PHE A 42 -1.250 8.242 8.854 1.00 0.00 C ATOM 666 CE2 PHE A 42 -0.628 7.421 11.045 1.00 0.00 C ATOM 667 CZ PHE A 42 -1.413 7.323 9.894 1.00 0.00 C ATOM 0 H PHE A 42 2.326 13.270 10.198 1.00 0.00 H new ATOM 0 HA PHE A 42 -0.138 11.777 9.548 1.00 0.00 H new ATOM 0 HB2 PHE A 42 2.193 10.423 9.355 1.00 0.00 H new ATOM 0 HB3 PHE A 42 2.075 10.406 11.104 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -0.176 9.964 8.159 1.00 0.00 H new ATOM 0 HD2 PHE A 42 0.932 8.530 12.049 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -1.858 8.166 7.965 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -0.753 6.708 11.847 1.00 0.00 H new ATOM 0 HZ PHE A 42 -2.147 6.536 9.808 1.00 0.00 H new ATOM 677 N CYS A 43 -0.895 12.085 11.915 1.00 0.00 N ATOM 678 CA CYS A 43 -1.382 12.435 13.246 1.00 0.00 C ATOM 679 C CYS A 43 -0.804 13.776 13.698 1.00 0.00 C ATOM 680 O CYS A 43 -0.388 13.931 14.845 1.00 0.00 O ATOM 681 CB CYS A 43 -1.002 11.340 14.245 1.00 0.00 C ATOM 682 SG CYS A 43 0.756 11.473 14.668 1.00 0.00 S ATOM 0 H CYS A 43 -1.603 11.692 11.294 1.00 0.00 H new ATOM 0 HA CYS A 43 -2.468 12.523 13.204 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -1.609 11.431 15.146 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -1.209 10.359 13.818 1.00 0.00 H new ATOM 0 HG CYS A 43 1.408 11.972 13.660 1.00 0.00 H new ATOM 688 N GLY A 44 -0.805 14.743 12.788 1.00 0.00 N ATOM 689 CA GLY A 44 -0.297 16.075 13.100 1.00 0.00 C ATOM 690 C GLY A 44 1.199 16.038 13.403 1.00 0.00 C ATOM 691 O GLY A 44 1.695 16.819 14.215 1.00 0.00 O ATOM 0 H GLY A 44 -1.149 14.632 11.834 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -0.484 16.744 12.260 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -0.834 16.481 13.957 1.00 0.00 H new ATOM 695 N GLN A 45 1.918 15.127 12.745 1.00 0.00 N ATOM 696 CA GLN A 45 3.365 14.999 12.951 1.00 0.00 C ATOM 697 C GLN A 45 4.075 14.796 11.618 1.00 0.00 C ATOM 698 O GLN A 45 3.776 13.857 10.878 1.00 0.00 O ATOM 699 CB GLN A 45 3.651 13.831 13.904 1.00 0.00 C ATOM 700 CG GLN A 45 5.155 13.740 14.197 1.00 0.00 C ATOM 701 CD GLN A 45 5.617 14.996 14.930 1.00 0.00 C ATOM 702 OE1 GLN A 45 4.803 15.691 15.538 1.00 0.00 O ATOM 703 NE2 GLN A 45 6.876 15.334 14.904 1.00 0.00 N ATOM 0 H GLN A 45 1.527 14.470 12.069 1.00 0.00 H new ATOM 0 HA GLN A 45 3.745 15.917 13.399 1.00 0.00 H new ATOM 0 HB2 GLN A 45 3.100 13.968 14.834 1.00 0.00 H new ATOM 0 HB3 GLN A 45 3.302 12.898 13.462 1.00 0.00 H new ATOM 0 HG2 GLN A 45 5.364 12.858 14.802 1.00 0.00 H new ATOM 0 HG3 GLN A 45 5.710 13.627 13.266 1.00 0.00 H new ATOM 0 HE21 GLN A 45 7.549 14.757 14.400 1.00 0.00 H new ATOM 0 HE22 GLN A 45 7.188 16.176 15.388 1.00 0.00 H new ATOM 712 N THR A 46 5.017 15.693 11.316 1.00 0.00 N ATOM 713 CA THR A 46 5.770 15.623 10.062 1.00 0.00 C ATOM 714 C THR A 46 7.172 15.082 10.294 1.00 0.00 C ATOM 715 O THR A 46 8.024 15.755 10.872 1.00 0.00 O ATOM 716 CB THR A 46 5.863 17.013 9.432 1.00 0.00 C ATOM 717 OG1 THR A 46 6.704 17.836 10.229 1.00 0.00 O ATOM 718 CG2 THR A 46 4.468 17.628 9.346 1.00 0.00 C ATOM 0 H THR A 46 5.276 16.473 11.920 1.00 0.00 H new ATOM 0 HA THR A 46 5.242 14.946 9.390 1.00 0.00 H new ATOM 0 HB THR A 46 6.282 16.933 8.429 1.00 0.00 H new ATOM 0 HG1 THR A 46 7.144 17.289 10.913 1.00 0.00 H new ATOM 0 HG21 THR A 46 4.534 18.619 8.897 1.00 0.00 H new ATOM 0 HG22 THR A 46 3.828 16.994 8.733 1.00 0.00 H new ATOM 0 HG23 THR A 46 4.045 17.711 10.347 1.00 0.00 H new ATOM 726 N PHE A 47 7.402 13.857 9.831 1.00 0.00 N ATOM 727 CA PHE A 47 8.705 13.215 9.978 1.00 0.00 C ATOM 728 C PHE A 47 9.582 13.542 8.775 1.00 0.00 C ATOM 729 O PHE A 47 9.104 13.579 7.638 1.00 0.00 O ATOM 730 CB PHE A 47 8.548 11.697 10.108 1.00 0.00 C ATOM 731 CG PHE A 47 7.588 11.391 11.229 1.00 0.00 C ATOM 732 CD1 PHE A 47 6.231 11.628 11.038 1.00 0.00 C ATOM 733 CD2 PHE A 47 8.044 10.867 12.448 1.00 0.00 C ATOM 734 CE1 PHE A 47 5.316 11.347 12.052 1.00 0.00 C ATOM 735 CE2 PHE A 47 7.127 10.585 13.472 1.00 0.00 C ATOM 736 CZ PHE A 47 5.762 10.824 13.270 1.00 0.00 C ATOM 0 H PHE A 47 6.704 13.289 9.351 1.00 0.00 H new ATOM 0 HA PHE A 47 9.177 13.594 10.884 1.00 0.00 H new ATOM 0 HB2 PHE A 47 8.179 11.276 9.173 1.00 0.00 H new ATOM 0 HB3 PHE A 47 9.515 11.235 10.306 1.00 0.00 H new ATOM 0 HD1 PHE A 47 5.884 12.032 10.099 1.00 0.00 H new ATOM 0 HD2 PHE A 47 9.097 10.681 12.598 1.00 0.00 H new ATOM 0 HE1 PHE A 47 4.264 11.533 11.897 1.00 0.00 H new ATOM 0 HE2 PHE A 47 7.473 10.185 14.413 1.00 0.00 H new ATOM 0 HZ PHE A 47 5.054 10.604 14.055 1.00 0.00 H new ATOM 746 N GLN A 48 10.867 13.777 9.029 1.00 0.00 N ATOM 747 CA GLN A 48 11.810 14.099 7.959 1.00 0.00 C ATOM 748 C GLN A 48 13.179 13.502 8.262 1.00 0.00 C ATOM 749 O GLN A 48 13.529 13.283 9.422 1.00 0.00 O ATOM 750 CB GLN A 48 11.933 15.621 7.811 1.00 0.00 C ATOM 751 CG GLN A 48 12.394 16.236 9.135 1.00 0.00 C ATOM 752 CD GLN A 48 12.503 17.751 8.999 1.00 0.00 C ATOM 753 OE1 GLN A 48 11.972 18.330 8.052 1.00 0.00 O ATOM 754 NE2 GLN A 48 13.167 18.430 9.896 1.00 0.00 N ATOM 0 H GLN A 48 11.279 13.751 9.962 1.00 0.00 H new ATOM 0 HA GLN A 48 11.437 13.674 7.027 1.00 0.00 H new ATOM 0 HB2 GLN A 48 12.644 15.862 7.021 1.00 0.00 H new ATOM 0 HB3 GLN A 48 10.973 16.046 7.517 1.00 0.00 H new ATOM 0 HG2 GLN A 48 11.689 15.984 9.927 1.00 0.00 H new ATOM 0 HG3 GLN A 48 13.359 15.818 9.422 1.00 0.00 H new ATOM 0 HE21 GLN A 48 13.606 17.947 10.680 1.00 0.00 H new ATOM 0 HE22 GLN A 48 13.247 19.443 9.813 1.00 0.00 H new ATOM 763 N SER A 49 13.951 13.242 7.209 1.00 0.00 N ATOM 764 CA SER A 49 15.288 12.670 7.359 1.00 0.00 C ATOM 765 C SER A 49 16.347 13.765 7.281 1.00 0.00 C ATOM 766 O SER A 49 16.093 14.851 6.759 1.00 0.00 O ATOM 767 CB SER A 49 15.537 11.639 6.259 1.00 0.00 C ATOM 768 OG SER A 49 14.397 10.800 6.135 1.00 0.00 O ATOM 0 H SER A 49 13.674 13.418 6.243 1.00 0.00 H new ATOM 0 HA SER A 49 15.352 12.185 8.333 1.00 0.00 H new ATOM 0 HB2 SER A 49 15.738 12.141 5.313 1.00 0.00 H new ATOM 0 HB3 SER A 49 16.418 11.042 6.496 1.00 0.00 H new ATOM 0 HG SER A 49 14.651 9.968 5.683 1.00 0.00 H new ATOM 774 N SER A 50 17.536 13.470 7.803 1.00 0.00 N ATOM 775 CA SER A 50 18.636 14.434 7.789 1.00 0.00 C ATOM 776 C SER A 50 19.467 14.281 6.517 1.00 0.00 C ATOM 777 O SER A 50 20.366 15.080 6.251 1.00 0.00 O ATOM 778 CB SER A 50 19.530 14.226 9.011 1.00 0.00 C ATOM 779 OG SER A 50 20.186 12.969 8.904 1.00 0.00 O ATOM 0 H SER A 50 17.762 12.576 8.239 1.00 0.00 H new ATOM 0 HA SER A 50 18.213 15.438 7.816 1.00 0.00 H new ATOM 0 HB2 SER A 50 20.265 15.028 9.079 1.00 0.00 H new ATOM 0 HB3 SER A 50 18.934 14.262 9.923 1.00 0.00 H new ATOM 0 HG SER A 50 20.762 12.833 9.685 1.00 0.00 H new ATOM 785 N GLU A 51 19.158 13.244 5.734 1.00 0.00 N ATOM 786 CA GLU A 51 19.873 12.981 4.485 1.00 0.00 C ATOM 787 C GLU A 51 18.927 13.109 3.302 1.00 0.00 C ATOM 788 O GLU A 51 17.728 12.841 3.412 1.00 0.00 O ATOM 789 CB GLU A 51 20.493 11.582 4.503 1.00 0.00 C ATOM 790 CG GLU A 51 21.601 11.535 5.556 1.00 0.00 C ATOM 791 CD GLU A 51 22.204 10.137 5.615 1.00 0.00 C ATOM 792 OE1 GLU A 51 21.814 9.311 4.806 1.00 0.00 O ATOM 793 OE2 GLU A 51 23.047 9.913 6.468 1.00 0.00 O1- ATOM 0 H GLU A 51 18.418 12.574 5.944 1.00 0.00 H new ATOM 0 HA GLU A 51 20.671 13.716 4.386 1.00 0.00 H new ATOM 0 HB2 GLU A 51 19.730 10.836 4.727 1.00 0.00 H new ATOM 0 HB3 GLU A 51 20.898 11.338 3.521 1.00 0.00 H new ATOM 0 HG2 GLU A 51 22.375 12.264 5.315 1.00 0.00 H new ATOM 0 HG3 GLU A 51 21.199 11.808 6.532 1.00 0.00 H new ATOM 800 N PHE A 52 19.486 13.531 2.173 1.00 0.00 N ATOM 801 CA PHE A 52 18.718 13.723 0.945 1.00 0.00 C ATOM 802 C PHE A 52 18.941 12.559 0.016 1.00 0.00 C ATOM 803 O PHE A 52 20.068 12.139 -0.238 1.00 0.00 O ATOM 804 CB PHE A 52 19.115 15.029 0.237 1.00 0.00 C ATOM 805 CG PHE A 52 20.565 15.304 0.485 1.00 0.00 C ATOM 806 CD1 PHE A 52 20.949 15.648 1.762 1.00 0.00 C ATOM 807 CD2 PHE A 52 21.508 15.224 -0.548 1.00 0.00 C ATOM 808 CE1 PHE A 52 22.288 15.917 2.050 1.00 0.00 C ATOM 809 CE2 PHE A 52 22.858 15.496 -0.273 1.00 0.00 C ATOM 810 CZ PHE A 52 23.245 15.844 1.032 1.00 0.00 C ATOM 0 H PHE A 52 20.478 13.749 2.082 1.00 0.00 H new ATOM 0 HA PHE A 52 17.663 13.785 1.213 1.00 0.00 H new ATOM 0 HB2 PHE A 52 18.926 14.948 -0.833 1.00 0.00 H new ATOM 0 HB3 PHE A 52 18.508 15.856 0.606 1.00 0.00 H new ATOM 0 HD1 PHE A 52 20.209 15.710 2.546 1.00 0.00 H new ATOM 0 HD2 PHE A 52 21.199 14.955 -1.547 1.00 0.00 H new ATOM 0 HE1 PHE A 52 22.584 16.180 3.055 1.00 0.00 H new ATOM 0 HE2 PHE A 52 23.595 15.438 -1.060 1.00 0.00 H new ATOM 0 HZ PHE A 52 24.282 16.055 1.249 1.00 0.00 H new ATOM 820 N PHE A 53 17.842 12.047 -0.473 1.00 0.00 N ATOM 821 CA PHE A 53 17.871 10.905 -1.385 1.00 0.00 C ATOM 822 C PHE A 53 18.063 11.374 -2.837 1.00 0.00 C ATOM 823 O PHE A 53 17.605 12.460 -3.202 1.00 0.00 O ATOM 824 CB PHE A 53 16.571 10.094 -1.268 1.00 0.00 C ATOM 825 CG PHE A 53 16.054 10.195 0.135 1.00 0.00 C ATOM 826 CD1 PHE A 53 15.293 11.298 0.514 1.00 0.00 C ATOM 827 CD2 PHE A 53 16.337 9.191 1.053 1.00 0.00 C ATOM 828 CE1 PHE A 53 14.810 11.401 1.819 1.00 0.00 C ATOM 829 CE2 PHE A 53 15.859 9.290 2.357 1.00 0.00 C ATOM 830 CZ PHE A 53 15.093 10.395 2.743 1.00 0.00 C ATOM 0 H PHE A 53 16.907 12.395 -0.262 1.00 0.00 H new ATOM 0 HA PHE A 53 18.713 10.271 -1.108 1.00 0.00 H new ATOM 0 HB2 PHE A 53 15.828 10.471 -1.971 1.00 0.00 H new ATOM 0 HB3 PHE A 53 16.754 9.051 -1.527 1.00 0.00 H new ATOM 0 HD1 PHE A 53 15.076 12.075 -0.204 1.00 0.00 H new ATOM 0 HD2 PHE A 53 16.926 8.336 0.756 1.00 0.00 H new ATOM 0 HE1 PHE A 53 14.219 12.256 2.113 1.00 0.00 H new ATOM 0 HE2 PHE A 53 16.080 8.512 3.072 1.00 0.00 H new ATOM 0 HZ PHE A 53 14.721 10.469 3.754 1.00 0.00 H new ATOM 840 N PRO A 54 18.713 10.581 -3.673 1.00 0.00 N ATOM 841 CA PRO A 54 18.937 10.940 -5.107 1.00 0.00 C ATOM 842 C PRO A 54 17.686 10.731 -5.968 1.00 0.00 C ATOM 843 O PRO A 54 17.682 11.049 -7.156 1.00 0.00 O ATOM 844 CB PRO A 54 20.080 10.005 -5.546 1.00 0.00 C ATOM 845 CG PRO A 54 19.973 8.801 -4.659 1.00 0.00 C ATOM 846 CD PRO A 54 19.314 9.266 -3.344 1.00 0.00 C ATOM 0 HA PRO A 54 19.178 11.996 -5.228 1.00 0.00 H new ATOM 0 HB2 PRO A 54 19.981 9.729 -6.596 1.00 0.00 H new ATOM 0 HB3 PRO A 54 21.050 10.490 -5.434 1.00 0.00 H new ATOM 0 HG2 PRO A 54 19.376 8.023 -5.135 1.00 0.00 H new ATOM 0 HG3 PRO A 54 20.958 8.375 -4.467 1.00 0.00 H new ATOM 0 HD2 PRO A 54 18.557 8.557 -3.007 1.00 0.00 H new ATOM 0 HD3 PRO A 54 20.047 9.354 -2.542 1.00 0.00 H new ATOM 854 N THR A 55 16.631 10.172 -5.369 1.00 0.00 N ATOM 855 CA THR A 55 15.388 9.914 -6.102 1.00 0.00 C ATOM 856 C THR A 55 14.171 10.334 -5.287 1.00 0.00 C ATOM 857 O THR A 55 14.210 10.378 -4.055 1.00 0.00 O ATOM 858 CB THR A 55 15.288 8.425 -6.429 1.00 0.00 C ATOM 859 OG1 THR A 55 16.316 8.072 -7.343 1.00 0.00 O ATOM 860 CG2 THR A 55 13.919 8.116 -7.047 1.00 0.00 C ATOM 0 H THR A 55 16.611 9.892 -4.388 1.00 0.00 H new ATOM 0 HA THR A 55 15.406 10.500 -7.021 1.00 0.00 H new ATOM 0 HB THR A 55 15.402 7.847 -5.512 1.00 0.00 H new ATOM 0 HG1 THR A 55 16.254 7.117 -7.552 1.00 0.00 H new ATOM 0 HG21 THR A 55 13.855 7.053 -7.277 1.00 0.00 H new ATOM 0 HG22 THR A 55 13.133 8.382 -6.341 1.00 0.00 H new ATOM 0 HG23 THR A 55 13.795 8.694 -7.963 1.00 0.00 H new ATOM 868 N LEU A 56 13.098 10.672 -5.995 1.00 0.00 N ATOM 869 CA LEU A 56 11.876 11.118 -5.339 1.00 0.00 C ATOM 870 C LEU A 56 11.255 10.007 -4.494 1.00 0.00 C ATOM 871 O LEU A 56 11.101 10.159 -3.281 1.00 0.00 O ATOM 872 CB LEU A 56 10.871 11.607 -6.398 1.00 0.00 C ATOM 873 CG LEU A 56 10.263 12.942 -5.964 1.00 0.00 C ATOM 874 CD1 LEU A 56 9.374 13.451 -7.072 1.00 0.00 C ATOM 875 CD2 LEU A 56 9.435 12.750 -4.685 1.00 0.00 C ATOM 0 H LEU A 56 13.050 10.646 -7.014 1.00 0.00 H new ATOM 0 HA LEU A 56 12.129 11.939 -4.668 1.00 0.00 H new ATOM 0 HB2 LEU A 56 11.370 11.721 -7.360 1.00 0.00 H new ATOM 0 HB3 LEU A 56 10.083 10.866 -6.533 1.00 0.00 H new ATOM 0 HG LEU A 56 11.058 13.660 -5.763 1.00 0.00 H new ATOM 0 HD11 LEU A 56 8.933 14.403 -6.776 1.00 0.00 H new ATOM 0 HD12 LEU A 56 9.965 13.590 -7.977 1.00 0.00 H new ATOM 0 HD13 LEU A 56 8.581 12.728 -7.264 1.00 0.00 H new ATOM 0 HD21 LEU A 56 9.006 13.705 -4.383 1.00 0.00 H new ATOM 0 HD22 LEU A 56 8.634 12.036 -4.874 1.00 0.00 H new ATOM 0 HD23 LEU A 56 10.077 12.373 -3.889 1.00 0.00 H new ATOM 887 N LYS A 57 10.854 8.915 -5.141 1.00 0.00 N ATOM 888 CA LYS A 57 10.207 7.817 -4.441 1.00 0.00 C ATOM 889 C LYS A 57 11.076 7.328 -3.294 1.00 0.00 C ATOM 890 O LYS A 57 10.573 6.913 -2.250 1.00 0.00 O ATOM 891 CB LYS A 57 9.978 6.671 -5.429 1.00 0.00 C ATOM 892 CG LYS A 57 8.971 7.097 -6.504 1.00 0.00 C ATOM 893 CD LYS A 57 8.759 5.938 -7.483 1.00 0.00 C ATOM 894 CE LYS A 57 7.808 6.375 -8.601 1.00 0.00 C ATOM 895 NZ LYS A 57 6.457 6.632 -8.028 1.00 0.00 N1+ ATOM 0 H LYS A 57 10.967 8.771 -6.144 1.00 0.00 H new ATOM 0 HA LYS A 57 9.257 8.163 -4.033 1.00 0.00 H new ATOM 0 HB2 LYS A 57 10.922 6.388 -5.895 1.00 0.00 H new ATOM 0 HB3 LYS A 57 9.608 5.793 -4.900 1.00 0.00 H new ATOM 0 HG2 LYS A 57 8.024 7.376 -6.042 1.00 0.00 H new ATOM 0 HG3 LYS A 57 9.338 7.975 -7.035 1.00 0.00 H new ATOM 0 HD2 LYS A 57 9.714 5.627 -7.906 1.00 0.00 H new ATOM 0 HD3 LYS A 57 8.347 5.076 -6.958 1.00 0.00 H new ATOM 0 HE2 LYS A 57 8.187 7.275 -9.085 1.00 0.00 H new ATOM 0 HE3 LYS A 57 7.749 5.602 -9.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 5.752 6.645 -8.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 6.219 5.880 -7.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 6.456 7.551 -7.541 1.00 0.00 H new ATOM 909 N SER A 58 12.384 7.388 -3.483 1.00 0.00 N ATOM 910 CA SER A 58 13.299 6.955 -2.448 1.00 0.00 C ATOM 911 C SER A 58 13.029 7.725 -1.156 1.00 0.00 C ATOM 912 O SER A 58 13.126 7.173 -0.062 1.00 0.00 O ATOM 913 CB SER A 58 14.741 7.189 -2.896 1.00 0.00 C ATOM 914 OG SER A 58 15.612 7.016 -1.787 1.00 0.00 O ATOM 0 H SER A 58 12.829 7.729 -4.335 1.00 0.00 H new ATOM 0 HA SER A 58 13.149 5.891 -2.267 1.00 0.00 H new ATOM 0 HB2 SER A 58 15.004 6.492 -3.692 1.00 0.00 H new ATOM 0 HB3 SER A 58 14.848 8.194 -3.304 1.00 0.00 H new ATOM 0 HG SER A 58 16.541 7.006 -2.099 1.00 0.00 H new ATOM 920 N ALA A 59 12.691 9.001 -1.298 1.00 0.00 N ATOM 921 CA ALA A 59 12.403 9.845 -0.145 1.00 0.00 C ATOM 922 C ALA A 59 11.090 9.446 0.535 1.00 0.00 C ATOM 923 O ALA A 59 11.002 9.413 1.764 1.00 0.00 O ATOM 924 CB ALA A 59 12.324 11.300 -0.591 1.00 0.00 C ATOM 0 H ALA A 59 12.610 9.473 -2.198 1.00 0.00 H new ATOM 0 HA ALA A 59 13.208 9.715 0.578 1.00 0.00 H new ATOM 0 HB1 ALA A 59 12.109 11.933 0.270 1.00 0.00 H new ATOM 0 HB2 ALA A 59 13.276 11.598 -1.031 1.00 0.00 H new ATOM 0 HB3 ALA A 59 11.531 11.411 -1.331 1.00 0.00 H new ATOM 930 N GLU A 60 10.073 9.147 -0.272 1.00 0.00 N ATOM 931 CA GLU A 60 8.767 8.753 0.257 1.00 0.00 C ATOM 932 C GLU A 60 8.891 7.477 1.086 1.00 0.00 C ATOM 933 O GLU A 60 8.264 7.345 2.137 1.00 0.00 O ATOM 934 CB GLU A 60 7.801 8.516 -0.903 1.00 0.00 C ATOM 935 CG GLU A 60 7.507 9.845 -1.601 1.00 0.00 C ATOM 936 CD GLU A 60 6.642 9.611 -2.833 1.00 0.00 C ATOM 937 OE1 GLU A 60 6.250 8.475 -3.049 1.00 0.00 O ATOM 938 OE2 GLU A 60 6.386 10.567 -3.544 1.00 0.00 O1- ATOM 0 H GLU A 60 10.127 9.170 -1.290 1.00 0.00 H new ATOM 0 HA GLU A 60 8.389 9.551 0.896 1.00 0.00 H new ATOM 0 HB2 GLU A 60 8.233 7.809 -1.611 1.00 0.00 H new ATOM 0 HB3 GLU A 60 6.875 8.074 -0.535 1.00 0.00 H new ATOM 0 HG2 GLU A 60 6.998 10.521 -0.913 1.00 0.00 H new ATOM 0 HG3 GLU A 60 8.441 10.327 -1.889 1.00 0.00 H new ATOM 945 N HIS A 61 9.696 6.539 0.599 1.00 0.00 N ATOM 946 CA HIS A 61 9.887 5.271 1.298 1.00 0.00 C ATOM 947 C HIS A 61 10.626 5.489 2.618 1.00 0.00 C ATOM 948 O HIS A 61 10.250 4.931 3.648 1.00 0.00 O ATOM 949 CB HIS A 61 10.692 4.309 0.424 1.00 0.00 C ATOM 950 CG HIS A 61 10.104 4.281 -0.958 1.00 0.00 C ATOM 951 ND1 HIS A 61 9.097 5.148 -1.346 1.00 0.00 N ATOM 952 CD2 HIS A 61 10.376 3.505 -2.057 1.00 0.00 C ATOM 953 CE1 HIS A 61 8.801 4.879 -2.629 1.00 0.00 C ATOM 954 NE2 HIS A 61 9.552 3.885 -3.111 1.00 0.00 N ATOM 0 H HIS A 61 10.223 6.630 -0.269 1.00 0.00 H new ATOM 0 HA HIS A 61 8.906 4.845 1.506 1.00 0.00 H new ATOM 0 HB2 HIS A 61 11.735 4.624 0.381 1.00 0.00 H new ATOM 0 HB3 HIS A 61 10.679 3.309 0.857 1.00 0.00 H new ATOM 0 HD2 HIS A 61 11.116 2.720 -2.097 1.00 0.00 H new ATOM 0 HE1 HIS A 61 8.048 5.402 -3.200 1.00 0.00 H new ATOM 0 HE2 HIS A 61 9.527 3.489 -4.051 1.00 0.00 H new ATOM 962 N ALA A 62 11.682 6.296 2.575 1.00 0.00 N ATOM 963 CA ALA A 62 12.473 6.575 3.770 1.00 0.00 C ATOM 964 C ALA A 62 11.664 7.372 4.790 1.00 0.00 C ATOM 965 O ALA A 62 11.742 7.118 5.993 1.00 0.00 O ATOM 966 CB ALA A 62 13.731 7.356 3.392 1.00 0.00 C ATOM 0 H ALA A 62 12.009 6.766 1.731 1.00 0.00 H new ATOM 0 HA ALA A 62 12.754 5.623 4.220 1.00 0.00 H new ATOM 0 HB1 ALA A 62 14.316 7.560 4.289 1.00 0.00 H new ATOM 0 HB2 ALA A 62 14.329 6.768 2.695 1.00 0.00 H new ATOM 0 HB3 ALA A 62 13.447 8.297 2.922 1.00 0.00 H new ATOM 972 N ALA A 63 10.894 8.342 4.304 1.00 0.00 N ATOM 973 CA ALA A 63 10.082 9.174 5.187 1.00 0.00 C ATOM 974 C ALA A 63 9.076 8.323 5.954 1.00 0.00 C ATOM 975 O ALA A 63 8.976 8.424 7.177 1.00 0.00 O ATOM 976 CB ALA A 63 9.334 10.221 4.361 1.00 0.00 C ATOM 0 H ALA A 63 10.815 8.570 3.313 1.00 0.00 H new ATOM 0 HA ALA A 63 10.741 9.667 5.901 1.00 0.00 H new ATOM 0 HB1 ALA A 63 8.728 10.841 5.022 1.00 0.00 H new ATOM 0 HB2 ALA A 63 10.052 10.848 3.832 1.00 0.00 H new ATOM 0 HB3 ALA A 63 8.688 9.721 3.639 1.00 0.00 H new ATOM 982 N ALA A 64 8.330 7.491 5.236 1.00 0.00 N ATOM 983 CA ALA A 64 7.337 6.642 5.879 1.00 0.00 C ATOM 984 C ALA A 64 8.009 5.696 6.869 1.00 0.00 C ATOM 985 O ALA A 64 7.472 5.435 7.937 1.00 0.00 O ATOM 986 CB ALA A 64 6.569 5.843 4.827 1.00 0.00 C ATOM 0 H ALA A 64 8.393 7.387 4.223 1.00 0.00 H new ATOM 0 HA ALA A 64 6.636 7.275 6.423 1.00 0.00 H new ATOM 0 HB1 ALA A 64 5.829 5.211 5.318 1.00 0.00 H new ATOM 0 HB2 ALA A 64 6.066 6.529 4.145 1.00 0.00 H new ATOM 0 HB3 ALA A 64 7.264 5.218 4.266 1.00 0.00 H new ATOM 992 N LYS A 65 9.192 5.196 6.518 1.00 0.00 N ATOM 993 CA LYS A 65 9.921 4.295 7.401 1.00 0.00 C ATOM 994 C LYS A 65 10.135 4.948 8.767 1.00 0.00 C ATOM 995 O LYS A 65 9.937 4.320 9.804 1.00 0.00 O ATOM 996 CB LYS A 65 11.274 3.955 6.783 1.00 0.00 C ATOM 997 CG LYS A 65 11.990 2.921 7.653 1.00 0.00 C ATOM 998 CD LYS A 65 13.309 2.523 6.991 1.00 0.00 C ATOM 999 CE LYS A 65 14.010 1.468 7.847 1.00 0.00 C ATOM 1000 NZ LYS A 65 14.437 2.079 9.137 1.00 0.00 N1+ ATOM 0 H LYS A 65 9.661 5.399 5.635 1.00 0.00 H new ATOM 0 HA LYS A 65 9.338 3.383 7.531 1.00 0.00 H new ATOM 0 HB2 LYS A 65 11.137 3.564 5.775 1.00 0.00 H new ATOM 0 HB3 LYS A 65 11.882 4.855 6.696 1.00 0.00 H new ATOM 0 HG2 LYS A 65 12.178 3.332 8.645 1.00 0.00 H new ATOM 0 HG3 LYS A 65 11.358 2.043 7.787 1.00 0.00 H new ATOM 0 HD2 LYS A 65 13.123 2.131 5.991 1.00 0.00 H new ATOM 0 HD3 LYS A 65 13.949 3.398 6.876 1.00 0.00 H new ATOM 0 HE2 LYS A 65 13.338 0.631 8.034 1.00 0.00 H new ATOM 0 HE3 LYS A 65 14.875 1.070 7.317 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 15.161 1.480 9.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 14.831 3.025 8.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 13.617 2.159 9.771 1.00 0.00 H new ATOM 1014 N ILE A 66 10.556 6.202 8.770 1.00 0.00 N ATOM 1015 CA ILE A 66 10.788 6.903 10.026 1.00 0.00 C ATOM 1016 C ILE A 66 9.475 7.098 10.793 1.00 0.00 C ATOM 1017 O ILE A 66 9.423 6.909 12.007 1.00 0.00 O ATOM 1018 CB ILE A 66 11.434 8.260 9.741 1.00 0.00 C ATOM 1019 CG1 ILE A 66 12.841 8.045 9.184 1.00 0.00 C ATOM 1020 CG2 ILE A 66 11.527 9.070 11.033 1.00 0.00 C ATOM 1021 CD1 ILE A 66 13.393 9.371 8.656 1.00 0.00 C ATOM 0 H ILE A 66 10.742 6.751 7.931 1.00 0.00 H new ATOM 0 HA ILE A 66 11.456 6.303 10.643 1.00 0.00 H new ATOM 0 HB ILE A 66 10.826 8.801 9.015 1.00 0.00 H new ATOM 0 HG12 ILE A 66 13.495 7.652 9.962 1.00 0.00 H new ATOM 0 HG13 ILE A 66 12.817 7.305 8.384 1.00 0.00 H new ATOM 0 HG21 ILE A 66 11.988 10.036 10.825 1.00 0.00 H new ATOM 0 HG22 ILE A 66 10.527 9.225 11.438 1.00 0.00 H new ATOM 0 HG23 ILE A 66 12.133 8.528 11.759 1.00 0.00 H new ATOM 0 HD11 ILE A 66 14.396 9.215 8.259 1.00 0.00 H new ATOM 0 HD12 ILE A 66 12.744 9.746 7.865 1.00 0.00 H new ATOM 0 HD13 ILE A 66 13.432 10.098 9.468 1.00 0.00 H new ATOM 1033 N ALA A 67 8.425 7.495 10.076 1.00 0.00 N ATOM 1034 CA ALA A 67 7.120 7.742 10.694 1.00 0.00 C ATOM 1035 C ALA A 67 6.478 6.460 11.224 1.00 0.00 C ATOM 1036 O ALA A 67 6.025 6.407 12.370 1.00 0.00 O ATOM 1037 CB ALA A 67 6.188 8.376 9.665 1.00 0.00 C ATOM 0 H ALA A 67 8.450 7.653 9.069 1.00 0.00 H new ATOM 0 HA ALA A 67 7.278 8.410 11.540 1.00 0.00 H new ATOM 0 HB1 ALA A 67 5.215 8.562 10.121 1.00 0.00 H new ATOM 0 HB2 ALA A 67 6.613 9.319 9.321 1.00 0.00 H new ATOM 0 HB3 ALA A 67 6.069 7.701 8.817 1.00 0.00 H new ATOM 1043 N VAL A 68 6.439 5.433 10.383 1.00 0.00 N ATOM 1044 CA VAL A 68 5.847 4.162 10.769 1.00 0.00 C ATOM 1045 C VAL A 68 6.656 3.525 11.892 1.00 0.00 C ATOM 1046 O VAL A 68 6.110 2.830 12.749 1.00 0.00 O ATOM 1047 CB VAL A 68 5.788 3.212 9.562 1.00 0.00 C ATOM 1048 CG1 VAL A 68 7.196 2.751 9.187 1.00 0.00 C ATOM 1049 CG2 VAL A 68 4.924 1.998 9.910 1.00 0.00 C ATOM 0 H VAL A 68 6.809 5.457 9.433 1.00 0.00 H new ATOM 0 HA VAL A 68 4.832 4.345 11.123 1.00 0.00 H new ATOM 0 HB VAL A 68 5.351 3.739 8.714 1.00 0.00 H new ATOM 0 HG11 VAL A 68 7.143 2.078 8.331 1.00 0.00 H new ATOM 0 HG12 VAL A 68 7.806 3.617 8.931 1.00 0.00 H new ATOM 0 HG13 VAL A 68 7.645 2.228 10.032 1.00 0.00 H new ATOM 0 HG21 VAL A 68 4.882 1.324 9.054 1.00 0.00 H new ATOM 0 HG22 VAL A 68 5.358 1.475 10.763 1.00 0.00 H new ATOM 0 HG23 VAL A 68 3.916 2.329 10.161 1.00 0.00 H new ATOM 1059 N ALA A 69 7.963 3.774 11.887 1.00 0.00 N ATOM 1060 CA ALA A 69 8.837 3.226 12.916 1.00 0.00 C ATOM 1061 C ALA A 69 8.553 3.879 14.267 1.00 0.00 C ATOM 1062 O ALA A 69 8.772 3.275 15.318 1.00 0.00 O ATOM 1063 CB ALA A 69 10.304 3.449 12.532 1.00 0.00 C ATOM 0 H ALA A 69 8.435 4.347 11.188 1.00 0.00 H new ATOM 0 HA ALA A 69 8.644 2.156 12.997 1.00 0.00 H new ATOM 0 HB1 ALA A 69 10.950 3.036 13.307 1.00 0.00 H new ATOM 0 HB2 ALA A 69 10.512 2.952 11.584 1.00 0.00 H new ATOM 0 HB3 ALA A 69 10.495 4.517 12.431 1.00 0.00 H new ATOM 1069 N SER A 70 8.066 5.116 14.232 1.00 0.00 N ATOM 1070 CA SER A 70 7.754 5.842 15.460 1.00 0.00 C ATOM 1071 C SER A 70 6.514 5.256 16.130 1.00 0.00 C ATOM 1072 O SER A 70 6.446 5.150 17.354 1.00 0.00 O ATOM 1073 CB SER A 70 7.519 7.321 15.145 1.00 0.00 C ATOM 1074 OG SER A 70 6.280 7.467 14.464 1.00 0.00 O ATOM 0 H SER A 70 7.880 5.634 13.373 1.00 0.00 H new ATOM 0 HA SER A 70 8.599 5.746 16.142 1.00 0.00 H new ATOM 0 HB2 SER A 70 7.511 7.904 16.066 1.00 0.00 H new ATOM 0 HB3 SER A 70 8.332 7.707 14.530 1.00 0.00 H new ATOM 0 HG SER A 70 6.394 7.224 13.522 1.00 0.00 H new ATOM 1080 N LEU A 71 5.535 4.883 15.312 1.00 0.00 N ATOM 1081 CA LEU A 71 4.292 4.309 15.822 1.00 0.00 C ATOM 1082 C LEU A 71 4.544 2.940 16.442 1.00 0.00 C ATOM 1083 O LEU A 71 3.862 2.538 17.384 1.00 0.00 O ATOM 1084 CB LEU A 71 3.263 4.186 14.698 1.00 0.00 C ATOM 1085 CG LEU A 71 3.125 5.534 13.979 1.00 0.00 C ATOM 1086 CD1 LEU A 71 2.089 5.406 12.857 1.00 0.00 C ATOM 1087 CD2 LEU A 71 2.687 6.622 14.975 1.00 0.00 C ATOM 0 H LEU A 71 5.577 4.967 14.296 1.00 0.00 H new ATOM 0 HA LEU A 71 3.902 4.975 16.592 1.00 0.00 H new ATOM 0 HB2 LEU A 71 3.571 3.415 13.992 1.00 0.00 H new ATOM 0 HB3 LEU A 71 2.300 3.879 15.105 1.00 0.00 H new ATOM 0 HG LEU A 71 4.088 5.816 13.554 1.00 0.00 H new ATOM 0 HD11 LEU A 71 1.988 6.362 12.344 1.00 0.00 H new ATOM 0 HD12 LEU A 71 2.414 4.646 12.147 1.00 0.00 H new ATOM 0 HD13 LEU A 71 1.127 5.119 13.281 1.00 0.00 H new ATOM 0 HD21 LEU A 71 2.592 7.575 14.454 1.00 0.00 H new ATOM 0 HD22 LEU A 71 1.726 6.350 15.412 1.00 0.00 H new ATOM 0 HD23 LEU A 71 3.432 6.713 15.765 1.00 0.00 H new ATOM 1099 N THR A 72 5.531 2.229 15.907 1.00 0.00 N ATOM 1100 CA THR A 72 5.870 0.903 16.413 1.00 0.00 C ATOM 1101 C THR A 72 7.312 0.550 16.066 1.00 0.00 C ATOM 1102 O THR A 72 7.610 0.451 14.886 1.00 0.00 O ATOM 1103 CB THR A 72 4.925 -0.136 15.806 1.00 0.00 C ATOM 1104 OG1 THR A 72 3.581 0.226 16.093 1.00 0.00 O ATOM 1105 CG2 THR A 72 5.223 -1.511 16.404 1.00 0.00 C ATOM 1106 OXT THR A 72 8.098 0.383 16.984 1.00 0.00 O ATOM 0 H THR A 72 6.108 2.546 15.128 1.00 0.00 H new ATOM 0 HA THR A 72 5.763 0.905 17.498 1.00 0.00 H new ATOM 0 HB THR A 72 5.070 -0.173 14.726 1.00 0.00 H new ATOM 0 HG1 THR A 72 3.562 0.826 16.868 1.00 0.00 H new ATOM 0 HG21 THR A 72 4.549 -2.250 15.971 1.00 0.00 H new ATOM 0 HG22 THR A 72 6.254 -1.787 16.184 1.00 0.00 H new ATOM 0 HG23 THR A 72 5.078 -1.477 17.484 1.00 0.00 H new TER 1114 THR A 72