USER MOD reduce.3.24.130724 H: found=0, std=0, add=532, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 532 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 53 SER OG : rot 180:sc= 1.23 USER MOD Set 1.2: A 56 THR OG1 : rot 79:sc= 1.06 USER MOD Set 2.1: A 37 SER OG : rot 100:sc= 0.939 USER MOD Set 2.2: A 40 ASN : amide:sc= 0.683 X(o=1.6,f=1.4) USER MOD Set 3.1: A 14 CYS SG : rot 180:sc= -0.15 USER MOD Set 3.2: A 16 SER OG : rot 89:sc= 0.131 USER MOD Set 4.1: A 8 ASN : amide:sc= -0.0335 K(o=0.056,f=-1.4) USER MOD Set 4.2: A 71 SER OG : rot 75:sc= 0.0893 USER MOD Set 5.1: A 3 GLN : amide:sc= 0.23 K(o=0.46,f=-0.84) USER MOD Set 5.2: A 47 TYR OH : rot 81:sc= 0.234 USER MOD Set 6.1: A 2 THR OG1 : rot 180:sc= 0.376 USER MOD Set 6.2: A 32 LYS NZ :NH3+ 175:sc= 0.383 (180deg=-0.0752) USER MOD Single : A 1 LEU N :NH3+ 147:sc= 0.0119 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 22:sc= 1.28 USER MOD Single : A 12 MET CE :methyl -164:sc= -0.0521 (180deg=-0.123) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= -0.045 X(o=-0.045,f=0) USER MOD Single : A 17 CYS SG : rot 180:sc= 0.00363 USER MOD Single : A 19 GLN : amide:sc= 0 K(o=0,f=-0.85) USER MOD Single : A 20 SER OG : rot -81:sc= 0.644 USER MOD Single : A 26 SER OG : rot -39:sc= 0.0597 USER MOD Single : A 27 LYS NZ :NH3+ 179:sc= 0.375 (180deg=0.374) USER MOD Single : A 28 LYS NZ :NH3+ 171:sc= 0.399 (180deg=0.337) USER MOD Single : A 33 SER OG : rot 180:sc= 0.00143 USER MOD Single : A 41 SER OG : rot 12:sc= 0.727 USER MOD Single : A 42 ASN : amide:sc= -0.108 K(o=-0.11,f=-1.7!) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0.0516 USER MOD Single : A 64 MET CE :methyl 170:sc= 0 (180deg=-0.212) USER MOD Single : A 69 THR OG1 : rot -34:sc= 0.15 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 6.673 -24.205 1.090 1.00 0.00 N ATOM 2 CA LEU A 1 5.258 -23.830 0.930 1.00 0.00 C ATOM 3 C LEU A 1 5.049 -22.352 1.262 1.00 0.00 C ATOM 4 O LEU A 1 5.629 -21.849 2.222 1.00 0.00 O ATOM 5 CB LEU A 1 4.368 -24.730 1.803 1.00 0.00 C ATOM 6 CG LEU A 1 2.857 -24.464 1.677 1.00 0.00 C ATOM 7 CD1 LEU A 1 2.332 -24.750 0.265 1.00 0.00 C ATOM 8 CD2 LEU A 1 2.113 -25.354 2.678 1.00 0.00 C ATOM 0 H1 LEU A 1 6.736 -25.191 1.413 1.00 0.00 H new ATOM 0 H2 LEU A 1 7.163 -24.107 0.178 1.00 0.00 H new ATOM 0 H3 LEU A 1 7.120 -23.581 1.792 1.00 0.00 H new ATOM 0 HA LEU A 1 4.972 -23.977 -0.111 1.00 0.00 H new ATOM 0 HB2 LEU A 1 4.562 -25.771 1.543 1.00 0.00 H new ATOM 0 HB3 LEU A 1 4.659 -24.603 2.846 1.00 0.00 H new ATOM 0 HG LEU A 1 2.685 -23.408 1.886 1.00 0.00 H new ATOM 0 HD11 LEU A 1 1.262 -24.547 0.227 1.00 0.00 H new ATOM 0 HD12 LEU A 1 2.848 -24.111 -0.451 1.00 0.00 H new ATOM 0 HD13 LEU A 1 2.513 -25.795 0.014 1.00 0.00 H new ATOM 0 HD21 LEU A 1 1.041 -25.174 2.598 1.00 0.00 H new ATOM 0 HD22 LEU A 1 2.323 -26.401 2.460 1.00 0.00 H new ATOM 0 HD23 LEU A 1 2.445 -25.121 3.689 1.00 0.00 H new ATOM 22 N THR A 2 4.221 -21.664 0.466 1.00 0.00 N ATOM 23 CA THR A 2 3.788 -20.296 0.713 1.00 0.00 C ATOM 24 C THR A 2 2.309 -20.182 0.341 1.00 0.00 C ATOM 25 O THR A 2 1.864 -20.799 -0.625 1.00 0.00 O ATOM 26 CB THR A 2 4.657 -19.304 -0.078 1.00 0.00 C ATOM 27 OG1 THR A 2 6.010 -19.448 0.298 1.00 0.00 O ATOM 28 CG2 THR A 2 4.252 -17.848 0.183 1.00 0.00 C ATOM 0 H THR A 2 3.827 -22.060 -0.388 1.00 0.00 H new ATOM 0 HA THR A 2 3.907 -20.046 1.767 1.00 0.00 H new ATOM 0 HB THR A 2 4.513 -19.529 -1.135 1.00 0.00 H new ATOM 0 HG1 THR A 2 6.560 -18.815 -0.210 1.00 0.00 H new ATOM 0 HG21 THR A 2 4.892 -17.183 -0.396 1.00 0.00 H new ATOM 0 HG22 THR A 2 3.213 -17.701 -0.113 1.00 0.00 H new ATOM 0 HG23 THR A 2 4.362 -17.624 1.244 1.00 0.00 H new ATOM 36 N GLN A 3 1.561 -19.389 1.114 1.00 0.00 N ATOM 37 CA GLN A 3 0.168 -19.044 0.879 1.00 0.00 C ATOM 38 C GLN A 3 -0.009 -17.551 1.152 1.00 0.00 C ATOM 39 O GLN A 3 0.851 -16.933 1.775 1.00 0.00 O ATOM 40 CB GLN A 3 -0.745 -19.858 1.806 1.00 0.00 C ATOM 41 CG GLN A 3 -0.622 -21.365 1.565 1.00 0.00 C ATOM 42 CD GLN A 3 -1.664 -22.169 2.339 1.00 0.00 C ATOM 43 OE1 GLN A 3 -2.422 -21.625 3.139 1.00 0.00 O ATOM 44 NE2 GLN A 3 -1.704 -23.481 2.101 1.00 0.00 N ATOM 0 H GLN A 3 1.933 -18.953 1.958 1.00 0.00 H new ATOM 0 HA GLN A 3 -0.102 -19.273 -0.152 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -0.496 -19.637 2.844 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -1.780 -19.551 1.654 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -0.729 -21.569 0.500 1.00 0.00 H new ATOM 0 HG3 GLN A 3 0.375 -21.696 1.855 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -1.059 -23.897 1.430 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -2.380 -24.068 2.590 1.00 0.00 H new ATOM 53 N GLU A 4 -1.132 -16.983 0.695 1.00 0.00 N ATOM 54 CA GLU A 4 -1.515 -15.603 0.954 1.00 0.00 C ATOM 55 C GLU A 4 -2.589 -15.571 2.039 1.00 0.00 C ATOM 56 O GLU A 4 -3.459 -16.440 2.075 1.00 0.00 O ATOM 57 CB GLU A 4 -2.037 -14.963 -0.340 1.00 0.00 C ATOM 58 CG GLU A 4 -2.425 -13.490 -0.128 1.00 0.00 C ATOM 59 CD GLU A 4 -2.754 -12.797 -1.447 1.00 0.00 C ATOM 60 OE1 GLU A 4 -3.716 -13.253 -2.102 1.00 0.00 O ATOM 61 OE2 GLU A 4 -2.044 -11.822 -1.775 1.00 0.00 O ATOM 0 H GLU A 4 -1.810 -17.487 0.123 1.00 0.00 H new ATOM 0 HA GLU A 4 -0.649 -15.037 1.298 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -1.272 -15.030 -1.114 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -2.903 -15.520 -0.698 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -3.286 -13.433 0.538 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -1.606 -12.965 0.364 1.00 0.00 H new ATOM 68 N THR A 5 -2.532 -14.555 2.907 1.00 0.00 N ATOM 69 CA THR A 5 -3.586 -14.237 3.858 1.00 0.00 C ATOM 70 C THR A 5 -3.780 -12.724 3.872 1.00 0.00 C ATOM 71 O THR A 5 -2.809 -11.975 3.762 1.00 0.00 O ATOM 72 CB THR A 5 -3.270 -14.810 5.250 1.00 0.00 C ATOM 73 OG1 THR A 5 -4.328 -14.530 6.143 1.00 0.00 O ATOM 74 CG2 THR A 5 -1.984 -14.250 5.866 1.00 0.00 C ATOM 0 H THR A 5 -1.734 -13.923 2.964 1.00 0.00 H new ATOM 0 HA THR A 5 -4.523 -14.705 3.554 1.00 0.00 H new ATOM 0 HB THR A 5 -3.138 -15.882 5.102 1.00 0.00 H new ATOM 0 HG1 THR A 5 -5.150 -14.366 5.635 1.00 0.00 H new ATOM 0 HG21 THR A 5 -1.825 -14.699 6.847 1.00 0.00 H new ATOM 0 HG22 THR A 5 -1.139 -14.484 5.219 1.00 0.00 H new ATOM 0 HG23 THR A 5 -2.072 -13.169 5.972 1.00 0.00 H new ATOM 82 N VAL A 6 -5.037 -12.287 3.997 1.00 0.00 N ATOM 83 CA VAL A 6 -5.419 -10.889 4.090 1.00 0.00 C ATOM 84 C VAL A 6 -6.120 -10.701 5.432 1.00 0.00 C ATOM 85 O VAL A 6 -7.084 -11.403 5.734 1.00 0.00 O ATOM 86 CB VAL A 6 -6.315 -10.484 2.909 1.00 0.00 C ATOM 87 CG1 VAL A 6 -6.696 -8.999 3.000 1.00 0.00 C ATOM 88 CG2 VAL A 6 -5.608 -10.729 1.570 1.00 0.00 C ATOM 0 H VAL A 6 -5.835 -12.921 4.037 1.00 0.00 H new ATOM 0 HA VAL A 6 -4.543 -10.242 4.037 1.00 0.00 H new ATOM 0 HB VAL A 6 -7.214 -11.098 2.960 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -7.330 -8.734 2.154 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -7.236 -8.818 3.929 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -5.792 -8.390 2.981 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -6.265 -10.434 0.752 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -4.691 -10.141 1.530 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -5.364 -11.787 1.475 1.00 0.00 H new ATOM 98 N ILE A 7 -5.619 -9.757 6.233 1.00 0.00 N ATOM 99 CA ILE A 7 -6.120 -9.452 7.561 1.00 0.00 C ATOM 100 C ILE A 7 -6.540 -7.984 7.547 1.00 0.00 C ATOM 101 O ILE A 7 -5.708 -7.123 7.281 1.00 0.00 O ATOM 102 CB ILE A 7 -5.017 -9.740 8.600 1.00 0.00 C ATOM 103 CG1 ILE A 7 -4.544 -11.204 8.483 1.00 0.00 C ATOM 104 CG2 ILE A 7 -5.525 -9.449 10.021 1.00 0.00 C ATOM 105 CD1 ILE A 7 -3.458 -11.582 9.495 1.00 0.00 C ATOM 0 H ILE A 7 -4.830 -9.171 5.960 1.00 0.00 H new ATOM 0 HA ILE A 7 -6.977 -10.068 7.834 1.00 0.00 H new ATOM 0 HB ILE A 7 -4.170 -9.084 8.399 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -5.400 -11.865 8.618 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -4.165 -11.375 7.475 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -4.733 -9.658 10.740 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -5.816 -8.401 10.096 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -6.387 -10.081 10.236 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -3.175 -12.625 9.353 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -2.585 -10.946 9.347 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -3.840 -11.444 10.507 1.00 0.00 H new ATOM 117 N ASN A 8 -7.815 -7.692 7.824 1.00 0.00 N ATOM 118 CA ASN A 8 -8.319 -6.330 7.939 1.00 0.00 C ATOM 119 C ASN A 8 -7.898 -5.769 9.294 1.00 0.00 C ATOM 120 O ASN A 8 -8.243 -6.338 10.327 1.00 0.00 O ATOM 121 CB ASN A 8 -9.846 -6.317 7.799 1.00 0.00 C ATOM 122 CG ASN A 8 -10.317 -6.638 6.380 1.00 0.00 C ATOM 123 OD1 ASN A 8 -9.614 -6.380 5.405 1.00 0.00 O ATOM 124 ND2 ASN A 8 -11.521 -7.201 6.261 1.00 0.00 N ATOM 0 H ASN A 8 -8.529 -8.405 7.975 1.00 0.00 H new ATOM 0 HA ASN A 8 -7.905 -5.711 7.143 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -10.275 -7.041 8.491 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -10.224 -5.336 8.089 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -11.887 -7.432 5.337 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -12.075 -7.400 7.094 1.00 0.00 H new ATOM 131 N ILE A 9 -7.143 -4.663 9.276 1.00 0.00 N ATOM 132 CA ILE A 9 -6.528 -4.060 10.448 1.00 0.00 C ATOM 133 C ILE A 9 -7.027 -2.620 10.551 1.00 0.00 C ATOM 134 O ILE A 9 -6.597 -1.769 9.774 1.00 0.00 O ATOM 135 CB ILE A 9 -4.989 -4.113 10.341 1.00 0.00 C ATOM 136 CG1 ILE A 9 -4.472 -5.549 10.141 1.00 0.00 C ATOM 137 CG2 ILE A 9 -4.372 -3.524 11.619 1.00 0.00 C ATOM 138 CD1 ILE A 9 -3.022 -5.579 9.645 1.00 0.00 C ATOM 0 H ILE A 9 -6.942 -4.154 8.415 1.00 0.00 H new ATOM 0 HA ILE A 9 -6.804 -4.610 11.348 1.00 0.00 H new ATOM 0 HB ILE A 9 -4.695 -3.530 9.468 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -4.543 -6.093 11.083 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -5.110 -6.066 9.425 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -3.285 -3.559 11.548 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -4.695 -2.489 11.735 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -4.698 -4.105 12.482 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -2.702 -6.613 9.519 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -2.953 -5.059 8.690 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -2.378 -5.086 10.373 1.00 0.00 H new ATOM 150 N ASP A 10 -7.913 -2.344 11.515 1.00 0.00 N ATOM 151 CA ASP A 10 -8.354 -0.987 11.815 1.00 0.00 C ATOM 152 C ASP A 10 -7.584 -0.468 13.031 1.00 0.00 C ATOM 153 O ASP A 10 -7.214 -1.241 13.916 1.00 0.00 O ATOM 154 CB ASP A 10 -9.877 -0.923 11.989 1.00 0.00 C ATOM 155 CG ASP A 10 -10.386 -1.717 13.187 1.00 0.00 C ATOM 156 OD1 ASP A 10 -10.539 -2.948 13.031 1.00 0.00 O ATOM 157 OD2 ASP A 10 -10.617 -1.076 14.235 1.00 0.00 O ATOM 0 H ASP A 10 -8.341 -3.057 12.105 1.00 0.00 H new ATOM 0 HA ASP A 10 -8.130 -0.329 10.975 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -10.179 0.119 12.099 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -10.354 -1.299 11.084 1.00 0.00 H new ATOM 162 N GLY A 11 -7.320 0.844 13.045 1.00 0.00 N ATOM 163 CA GLY A 11 -6.463 1.504 14.021 1.00 0.00 C ATOM 164 C GLY A 11 -5.215 2.113 13.374 1.00 0.00 C ATOM 165 O GLY A 11 -4.520 2.894 14.024 1.00 0.00 O ATOM 0 H GLY A 11 -7.710 1.488 12.357 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -7.027 2.287 14.527 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -6.162 0.785 14.783 1.00 0.00 H new ATOM 169 N MET A 12 -4.918 1.768 12.110 1.00 0.00 N ATOM 170 CA MET A 12 -3.777 2.300 11.377 1.00 0.00 C ATOM 171 C MET A 12 -4.093 3.718 10.896 1.00 0.00 C ATOM 172 O MET A 12 -4.398 3.933 9.724 1.00 0.00 O ATOM 173 CB MET A 12 -3.416 1.376 10.204 1.00 0.00 C ATOM 174 CG MET A 12 -3.116 -0.054 10.661 1.00 0.00 C ATOM 175 SD MET A 12 -2.355 -1.127 9.410 1.00 0.00 S ATOM 176 CE MET A 12 -3.530 -0.964 8.046 1.00 0.00 C ATOM 0 H MET A 12 -5.474 1.105 11.571 1.00 0.00 H new ATOM 0 HA MET A 12 -2.911 2.346 12.037 1.00 0.00 H new ATOM 0 HB2 MET A 12 -4.239 1.361 9.489 1.00 0.00 H new ATOM 0 HB3 MET A 12 -2.548 1.778 9.682 1.00 0.00 H new ATOM 0 HG2 MET A 12 -2.456 -0.010 11.527 1.00 0.00 H new ATOM 0 HG3 MET A 12 -4.047 -0.514 10.993 1.00 0.00 H new ATOM 0 HE1 MET A 12 -3.364 -1.765 7.325 1.00 0.00 H new ATOM 0 HE2 MET A 12 -4.547 -1.029 8.432 1.00 0.00 H new ATOM 0 HE3 MET A 12 -3.388 -0.000 7.557 1.00 0.00 H new ATOM 186 N THR A 13 -4.032 4.685 11.815 1.00 0.00 N ATOM 187 CA THR A 13 -4.405 6.070 11.566 1.00 0.00 C ATOM 188 C THR A 13 -3.471 6.731 10.550 1.00 0.00 C ATOM 189 O THR A 13 -3.942 7.370 9.611 1.00 0.00 O ATOM 190 CB THR A 13 -4.412 6.830 12.902 1.00 0.00 C ATOM 191 OG1 THR A 13 -5.204 6.131 13.840 1.00 0.00 O ATOM 192 CG2 THR A 13 -4.969 8.249 12.744 1.00 0.00 C ATOM 0 H THR A 13 -3.715 4.519 12.770 1.00 0.00 H new ATOM 0 HA THR A 13 -5.404 6.099 11.130 1.00 0.00 H new ATOM 0 HB THR A 13 -3.381 6.901 13.248 1.00 0.00 H new ATOM 0 HG1 THR A 13 -5.206 6.616 14.692 1.00 0.00 H new ATOM 0 HG21 THR A 13 -4.958 8.754 13.710 1.00 0.00 H new ATOM 0 HG22 THR A 13 -4.353 8.805 12.037 1.00 0.00 H new ATOM 0 HG23 THR A 13 -5.993 8.199 12.373 1.00 0.00 H new ATOM 200 N CYS A 14 -2.156 6.588 10.754 1.00 0.00 N ATOM 201 CA CYS A 14 -1.117 7.287 10.007 1.00 0.00 C ATOM 202 C CYS A 14 -0.250 6.289 9.238 1.00 0.00 C ATOM 203 O CYS A 14 -0.173 5.120 9.610 1.00 0.00 O ATOM 204 CB CYS A 14 -0.278 8.090 11.013 1.00 0.00 C ATOM 205 SG CYS A 14 0.917 9.164 10.176 1.00 0.00 S ATOM 0 H CYS A 14 -1.780 5.962 11.466 1.00 0.00 H new ATOM 0 HA CYS A 14 -1.559 7.960 9.273 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -0.937 8.694 11.637 1.00 0.00 H new ATOM 0 HB3 CYS A 14 0.250 7.405 11.677 1.00 0.00 H new ATOM 0 HG CYS A 14 1.602 9.824 11.062 1.00 0.00 H new ATOM 211 N ASN A 15 0.415 6.761 8.173 1.00 0.00 N ATOM 212 CA ASN A 15 1.416 6.012 7.421 1.00 0.00 C ATOM 213 C ASN A 15 2.452 5.368 8.346 1.00 0.00 C ATOM 214 O ASN A 15 2.894 4.256 8.079 1.00 0.00 O ATOM 215 CB ASN A 15 2.099 6.944 6.412 1.00 0.00 C ATOM 216 CG ASN A 15 3.143 6.202 5.576 1.00 0.00 C ATOM 217 OD1 ASN A 15 2.816 5.630 4.540 1.00 0.00 O ATOM 218 ND2 ASN A 15 4.402 6.211 6.020 1.00 0.00 N ATOM 0 H ASN A 15 0.263 7.700 7.806 1.00 0.00 H new ATOM 0 HA ASN A 15 0.913 5.205 6.888 1.00 0.00 H new ATOM 0 HB2 ASN A 15 1.348 7.381 5.753 1.00 0.00 H new ATOM 0 HB3 ASN A 15 2.576 7.768 6.942 1.00 0.00 H new ATOM 0 HD21 ASN A 15 5.132 5.731 5.493 1.00 0.00 H new ATOM 0 HD22 ASN A 15 4.634 6.698 6.886 1.00 0.00 H new ATOM 225 N SER A 16 2.830 6.058 9.429 1.00 0.00 N ATOM 226 CA SER A 16 3.731 5.551 10.456 1.00 0.00 C ATOM 227 C SER A 16 3.309 4.166 10.957 1.00 0.00 C ATOM 228 O SER A 16 4.159 3.293 11.131 1.00 0.00 O ATOM 229 CB SER A 16 3.778 6.551 11.617 1.00 0.00 C ATOM 230 OG SER A 16 4.105 7.838 11.137 1.00 0.00 O ATOM 0 H SER A 16 2.506 7.007 9.614 1.00 0.00 H new ATOM 0 HA SER A 16 4.724 5.440 10.019 1.00 0.00 H new ATOM 0 HB2 SER A 16 2.813 6.578 12.123 1.00 0.00 H new ATOM 0 HB3 SER A 16 4.515 6.231 12.353 1.00 0.00 H new ATOM 0 HG SER A 16 3.285 8.312 10.886 1.00 0.00 H new ATOM 236 N CYS A 17 2.003 3.963 11.180 1.00 0.00 N ATOM 237 CA CYS A 17 1.455 2.690 11.630 1.00 0.00 C ATOM 238 C CYS A 17 1.752 1.614 10.589 1.00 0.00 C ATOM 239 O CYS A 17 2.414 0.629 10.891 1.00 0.00 O ATOM 240 CB CYS A 17 -0.059 2.793 11.877 1.00 0.00 C ATOM 241 SG CYS A 17 -0.443 4.084 13.088 1.00 0.00 S ATOM 0 H CYS A 17 1.297 4.688 11.050 1.00 0.00 H new ATOM 0 HA CYS A 17 1.927 2.422 12.575 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -0.569 3.009 10.938 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -0.438 1.834 12.232 1.00 0.00 H new ATOM 0 HG CYS A 17 -1.729 4.142 13.268 1.00 0.00 H new ATOM 247 N VAL A 18 1.269 1.825 9.360 1.00 0.00 N ATOM 248 CA VAL A 18 1.441 0.928 8.223 1.00 0.00 C ATOM 249 C VAL A 18 2.910 0.534 8.046 1.00 0.00 C ATOM 250 O VAL A 18 3.229 -0.649 7.946 1.00 0.00 O ATOM 251 CB VAL A 18 0.866 1.620 6.973 1.00 0.00 C ATOM 252 CG1 VAL A 18 1.223 0.894 5.675 1.00 0.00 C ATOM 253 CG2 VAL A 18 -0.659 1.692 7.092 1.00 0.00 C ATOM 0 H VAL A 18 0.728 2.658 9.126 1.00 0.00 H new ATOM 0 HA VAL A 18 0.901 -0.003 8.393 1.00 0.00 H new ATOM 0 HB VAL A 18 1.308 2.615 6.927 1.00 0.00 H new ATOM 0 HG11 VAL A 18 0.791 1.428 4.829 1.00 0.00 H new ATOM 0 HG12 VAL A 18 2.307 0.857 5.565 1.00 0.00 H new ATOM 0 HG13 VAL A 18 0.826 -0.121 5.705 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -1.070 2.181 6.209 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -1.066 0.684 7.171 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -0.928 2.262 7.981 1.00 0.00 H new ATOM 263 N GLN A 19 3.792 1.536 8.009 1.00 0.00 N ATOM 264 CA GLN A 19 5.222 1.387 7.809 1.00 0.00 C ATOM 265 C GLN A 19 5.844 0.522 8.907 1.00 0.00 C ATOM 266 O GLN A 19 6.527 -0.454 8.604 1.00 0.00 O ATOM 267 CB GLN A 19 5.844 2.789 7.751 1.00 0.00 C ATOM 268 CG GLN A 19 7.342 2.758 7.433 1.00 0.00 C ATOM 269 CD GLN A 19 7.928 4.163 7.289 1.00 0.00 C ATOM 270 OE1 GLN A 19 7.219 5.162 7.402 1.00 0.00 O ATOM 271 NE2 GLN A 19 9.235 4.244 7.037 1.00 0.00 N ATOM 0 H GLN A 19 3.510 2.510 8.123 1.00 0.00 H new ATOM 0 HA GLN A 19 5.421 0.870 6.870 1.00 0.00 H new ATOM 0 HB2 GLN A 19 5.328 3.380 6.994 1.00 0.00 H new ATOM 0 HB3 GLN A 19 5.690 3.290 8.707 1.00 0.00 H new ATOM 0 HG2 GLN A 19 7.869 2.225 8.224 1.00 0.00 H new ATOM 0 HG3 GLN A 19 7.505 2.201 6.510 1.00 0.00 H new ATOM 0 HE21 GLN A 19 9.791 3.393 6.950 1.00 0.00 H new ATOM 0 HE22 GLN A 19 9.678 5.156 6.931 1.00 0.00 H new ATOM 280 N SER A 20 5.606 0.879 10.177 1.00 0.00 N ATOM 281 CA SER A 20 6.155 0.161 11.320 1.00 0.00 C ATOM 282 C SER A 20 5.687 -1.296 11.331 1.00 0.00 C ATOM 283 O SER A 20 6.512 -2.197 11.459 1.00 0.00 O ATOM 284 CB SER A 20 5.816 0.887 12.628 1.00 0.00 C ATOM 285 OG SER A 20 4.422 0.983 12.827 1.00 0.00 O ATOM 0 H SER A 20 5.025 1.677 10.434 1.00 0.00 H new ATOM 0 HA SER A 20 7.241 0.144 11.229 1.00 0.00 H new ATOM 0 HB2 SER A 20 6.267 0.356 13.466 1.00 0.00 H new ATOM 0 HB3 SER A 20 6.251 1.886 12.612 1.00 0.00 H new ATOM 0 HG SER A 20 4.069 1.735 12.308 1.00 0.00 H new ATOM 291 N ILE A 21 4.377 -1.525 11.179 1.00 0.00 N ATOM 292 CA ILE A 21 3.780 -2.853 11.111 1.00 0.00 C ATOM 293 C ILE A 21 4.474 -3.682 10.030 1.00 0.00 C ATOM 294 O ILE A 21 4.992 -4.755 10.324 1.00 0.00 O ATOM 295 CB ILE A 21 2.264 -2.743 10.867 1.00 0.00 C ATOM 296 CG1 ILE A 21 1.558 -2.131 12.092 1.00 0.00 C ATOM 297 CG2 ILE A 21 1.660 -4.124 10.581 1.00 0.00 C ATOM 298 CD1 ILE A 21 0.155 -1.633 11.731 1.00 0.00 C ATOM 0 H ILE A 21 3.693 -0.773 11.099 1.00 0.00 H new ATOM 0 HA ILE A 21 3.921 -3.365 12.063 1.00 0.00 H new ATOM 0 HB ILE A 21 2.114 -2.096 10.003 1.00 0.00 H new ATOM 0 HG12 ILE A 21 1.490 -2.875 12.885 1.00 0.00 H new ATOM 0 HG13 ILE A 21 2.151 -1.304 12.481 1.00 0.00 H new ATOM 0 HG21 ILE A 21 0.588 -4.024 10.411 1.00 0.00 H new ATOM 0 HG22 ILE A 21 2.130 -4.550 9.694 1.00 0.00 H new ATOM 0 HG23 ILE A 21 1.833 -4.780 11.434 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -0.318 -1.206 12.615 1.00 0.00 H new ATOM 0 HD12 ILE A 21 0.228 -0.871 10.955 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -0.444 -2.467 11.365 1.00 0.00 H new ATOM 310 N GLU A 22 4.480 -3.185 8.787 1.00 0.00 N ATOM 311 CA GLU A 22 5.053 -3.874 7.639 1.00 0.00 C ATOM 312 C GLU A 22 6.501 -4.284 7.917 1.00 0.00 C ATOM 313 O GLU A 22 6.846 -5.455 7.763 1.00 0.00 O ATOM 314 CB GLU A 22 4.921 -2.970 6.404 1.00 0.00 C ATOM 315 CG GLU A 22 5.253 -3.697 5.096 1.00 0.00 C ATOM 316 CD GLU A 22 5.029 -2.789 3.888 1.00 0.00 C ATOM 317 OE1 GLU A 22 3.861 -2.396 3.674 1.00 0.00 O ATOM 318 OE2 GLU A 22 6.029 -2.504 3.194 1.00 0.00 O ATOM 0 H GLU A 22 4.078 -2.277 8.554 1.00 0.00 H new ATOM 0 HA GLU A 22 4.509 -4.799 7.446 1.00 0.00 H new ATOM 0 HB2 GLU A 22 3.904 -2.582 6.350 1.00 0.00 H new ATOM 0 HB3 GLU A 22 5.584 -2.112 6.515 1.00 0.00 H new ATOM 0 HG2 GLU A 22 6.290 -4.031 5.116 1.00 0.00 H new ATOM 0 HG3 GLU A 22 4.632 -4.588 5.004 1.00 0.00 H new ATOM 325 N GLY A 23 7.333 -3.327 8.346 1.00 0.00 N ATOM 326 CA GLY A 23 8.735 -3.553 8.658 1.00 0.00 C ATOM 327 C GLY A 23 8.926 -4.636 9.720 1.00 0.00 C ATOM 328 O GLY A 23 9.665 -5.592 9.497 1.00 0.00 O ATOM 0 H GLY A 23 7.038 -2.361 8.486 1.00 0.00 H new ATOM 0 HA2 GLY A 23 9.265 -3.840 7.750 1.00 0.00 H new ATOM 0 HA3 GLY A 23 9.182 -2.622 9.007 1.00 0.00 H new ATOM 332 N VAL A 24 8.265 -4.481 10.874 1.00 0.00 N ATOM 333 CA VAL A 24 8.388 -5.375 12.020 1.00 0.00 C ATOM 334 C VAL A 24 7.946 -6.796 11.654 1.00 0.00 C ATOM 335 O VAL A 24 8.706 -7.743 11.848 1.00 0.00 O ATOM 336 CB VAL A 24 7.595 -4.792 13.207 1.00 0.00 C ATOM 337 CG1 VAL A 24 7.462 -5.780 14.373 1.00 0.00 C ATOM 338 CG2 VAL A 24 8.296 -3.535 13.741 1.00 0.00 C ATOM 0 H VAL A 24 7.616 -3.711 11.035 1.00 0.00 H new ATOM 0 HA VAL A 24 9.433 -5.450 12.320 1.00 0.00 H new ATOM 0 HB VAL A 24 6.600 -4.563 12.826 1.00 0.00 H new ATOM 0 HG11 VAL A 24 6.895 -5.316 15.180 1.00 0.00 H new ATOM 0 HG12 VAL A 24 6.943 -6.676 14.033 1.00 0.00 H new ATOM 0 HG13 VAL A 24 8.454 -6.051 14.735 1.00 0.00 H new ATOM 0 HG21 VAL A 24 7.729 -3.130 14.579 1.00 0.00 H new ATOM 0 HG22 VAL A 24 9.301 -3.793 14.074 1.00 0.00 H new ATOM 0 HG23 VAL A 24 8.356 -2.788 12.949 1.00 0.00 H new ATOM 348 N ILE A 25 6.723 -6.944 11.132 1.00 0.00 N ATOM 349 CA ILE A 25 6.126 -8.237 10.812 1.00 0.00 C ATOM 350 C ILE A 25 6.945 -8.980 9.749 1.00 0.00 C ATOM 351 O ILE A 25 7.046 -10.203 9.816 1.00 0.00 O ATOM 352 CB ILE A 25 4.652 -8.056 10.407 1.00 0.00 C ATOM 353 CG1 ILE A 25 3.800 -7.456 11.546 1.00 0.00 C ATOM 354 CG2 ILE A 25 4.030 -9.374 9.922 1.00 0.00 C ATOM 355 CD1 ILE A 25 3.518 -8.404 12.719 1.00 0.00 C ATOM 0 H ILE A 25 6.114 -6.154 10.918 1.00 0.00 H new ATOM 0 HA ILE A 25 6.144 -8.865 11.703 1.00 0.00 H new ATOM 0 HB ILE A 25 4.651 -7.347 9.579 1.00 0.00 H new ATOM 0 HG12 ILE A 25 4.306 -6.570 11.929 1.00 0.00 H new ATOM 0 HG13 ILE A 25 2.848 -7.124 11.131 1.00 0.00 H new ATOM 0 HG21 ILE A 25 2.989 -9.205 9.645 1.00 0.00 H new ATOM 0 HG22 ILE A 25 4.581 -9.739 9.055 1.00 0.00 H new ATOM 0 HG23 ILE A 25 4.078 -10.114 10.721 1.00 0.00 H new ATOM 0 HD11 ILE A 25 2.913 -7.889 13.466 1.00 0.00 H new ATOM 0 HD12 ILE A 25 2.980 -9.280 12.357 1.00 0.00 H new ATOM 0 HD13 ILE A 25 4.460 -8.717 13.168 1.00 0.00 H new ATOM 367 N SER A 26 7.547 -8.260 8.789 1.00 0.00 N ATOM 368 CA SER A 26 8.408 -8.852 7.766 1.00 0.00 C ATOM 369 C SER A 26 9.550 -9.712 8.331 1.00 0.00 C ATOM 370 O SER A 26 10.102 -10.527 7.593 1.00 0.00 O ATOM 371 CB SER A 26 8.982 -7.756 6.858 1.00 0.00 C ATOM 372 OG SER A 26 9.596 -8.335 5.726 1.00 0.00 O ATOM 0 H SER A 26 7.447 -7.248 8.705 1.00 0.00 H new ATOM 0 HA SER A 26 7.772 -9.526 7.193 1.00 0.00 H new ATOM 0 HB2 SER A 26 8.187 -7.080 6.544 1.00 0.00 H new ATOM 0 HB3 SER A 26 9.708 -7.159 7.410 1.00 0.00 H new ATOM 0 HG SER A 26 10.076 -9.146 5.993 1.00 0.00 H new ATOM 378 N LYS A 27 9.916 -9.545 9.610 1.00 0.00 N ATOM 379 CA LYS A 27 11.043 -10.239 10.224 1.00 0.00 C ATOM 380 C LYS A 27 10.636 -11.585 10.839 1.00 0.00 C ATOM 381 O LYS A 27 11.513 -12.372 11.191 1.00 0.00 O ATOM 382 CB LYS A 27 11.663 -9.349 11.310 1.00 0.00 C ATOM 383 CG LYS A 27 12.103 -7.985 10.765 1.00 0.00 C ATOM 384 CD LYS A 27 12.795 -7.174 11.869 1.00 0.00 C ATOM 385 CE LYS A 27 13.255 -5.802 11.361 1.00 0.00 C ATOM 386 NZ LYS A 27 12.119 -4.915 11.058 1.00 0.00 N ATOM 0 H LYS A 27 9.429 -8.916 10.249 1.00 0.00 H new ATOM 0 HA LYS A 27 11.769 -10.443 9.437 1.00 0.00 H new ATOM 0 HB2 LYS A 27 10.940 -9.201 12.112 1.00 0.00 H new ATOM 0 HB3 LYS A 27 12.523 -9.858 11.746 1.00 0.00 H new ATOM 0 HG2 LYS A 27 12.783 -8.123 9.924 1.00 0.00 H new ATOM 0 HG3 LYS A 27 11.238 -7.438 10.390 1.00 0.00 H new ATOM 0 HD2 LYS A 27 12.110 -7.041 12.707 1.00 0.00 H new ATOM 0 HD3 LYS A 27 13.654 -7.730 12.245 1.00 0.00 H new ATOM 0 HE2 LYS A 27 13.891 -5.333 12.111 1.00 0.00 H new ATOM 0 HE3 LYS A 27 13.862 -5.932 10.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 12.475 -3.993 10.734 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 11.535 -5.342 10.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 11.544 -4.782 11.914 1.00 0.00 H new ATOM 400 N LYS A 28 9.333 -11.858 10.989 1.00 0.00 N ATOM 401 CA LYS A 28 8.850 -13.039 11.697 1.00 0.00 C ATOM 402 C LYS A 28 9.050 -14.290 10.834 1.00 0.00 C ATOM 403 O LYS A 28 8.900 -14.221 9.615 1.00 0.00 O ATOM 404 CB LYS A 28 7.375 -12.850 12.087 1.00 0.00 C ATOM 405 CG LYS A 28 7.187 -12.031 13.376 1.00 0.00 C ATOM 406 CD LYS A 28 8.031 -10.752 13.415 1.00 0.00 C ATOM 407 CE LYS A 28 7.665 -9.866 14.606 1.00 0.00 C ATOM 408 NZ LYS A 28 8.629 -8.765 14.741 1.00 0.00 N ATOM 0 H LYS A 28 8.590 -11.264 10.622 1.00 0.00 H new ATOM 0 HA LYS A 28 9.424 -13.173 12.614 1.00 0.00 H new ATOM 0 HB2 LYS A 28 6.851 -12.354 11.270 1.00 0.00 H new ATOM 0 HB3 LYS A 28 6.912 -13.828 12.215 1.00 0.00 H new ATOM 0 HG2 LYS A 28 6.135 -11.766 13.479 1.00 0.00 H new ATOM 0 HG3 LYS A 28 7.444 -12.653 14.233 1.00 0.00 H new ATOM 0 HD2 LYS A 28 9.087 -11.015 13.469 1.00 0.00 H new ATOM 0 HD3 LYS A 28 7.888 -10.194 12.490 1.00 0.00 H new ATOM 0 HE2 LYS A 28 6.661 -9.464 14.473 1.00 0.00 H new ATOM 0 HE3 LYS A 28 7.652 -10.461 15.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 8.286 -8.089 15.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 9.550 -9.145 15.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 8.734 -8.281 13.826 1.00 0.00 H new ATOM 422 N PRO A 29 9.390 -15.438 11.448 1.00 0.00 N ATOM 423 CA PRO A 29 9.665 -16.670 10.729 1.00 0.00 C ATOM 424 C PRO A 29 8.396 -17.157 10.035 1.00 0.00 C ATOM 425 O PRO A 29 7.336 -17.227 10.654 1.00 0.00 O ATOM 426 CB PRO A 29 10.164 -17.666 11.781 1.00 0.00 C ATOM 427 CG PRO A 29 9.517 -17.167 13.072 1.00 0.00 C ATOM 428 CD PRO A 29 9.505 -15.651 12.882 1.00 0.00 C ATOM 0 HA PRO A 29 10.413 -16.540 9.947 1.00 0.00 H new ATOM 0 HB2 PRO A 29 9.859 -18.686 11.546 1.00 0.00 H new ATOM 0 HB3 PRO A 29 11.252 -17.667 11.850 1.00 0.00 H new ATOM 0 HG2 PRO A 29 8.511 -17.566 13.201 1.00 0.00 H new ATOM 0 HG3 PRO A 29 10.091 -17.460 13.951 1.00 0.00 H new ATOM 0 HD2 PRO A 29 8.670 -15.196 13.414 1.00 0.00 H new ATOM 0 HD3 PRO A 29 10.417 -15.200 13.274 1.00 0.00 H new ATOM 436 N GLY A 30 8.516 -17.472 8.743 1.00 0.00 N ATOM 437 CA GLY A 30 7.400 -17.872 7.905 1.00 0.00 C ATOM 438 C GLY A 30 7.002 -16.762 6.942 1.00 0.00 C ATOM 439 O GLY A 30 6.685 -17.058 5.792 1.00 0.00 O ATOM 0 H GLY A 30 9.408 -17.454 8.249 1.00 0.00 H new ATOM 0 HA2 GLY A 30 7.668 -18.766 7.342 1.00 0.00 H new ATOM 0 HA3 GLY A 30 6.548 -18.134 8.532 1.00 0.00 H new ATOM 443 N VAL A 31 7.014 -15.501 7.394 1.00 0.00 N ATOM 444 CA VAL A 31 6.639 -14.366 6.562 1.00 0.00 C ATOM 445 C VAL A 31 7.669 -14.202 5.444 1.00 0.00 C ATOM 446 O VAL A 31 8.860 -14.062 5.713 1.00 0.00 O ATOM 447 CB VAL A 31 6.513 -13.082 7.400 1.00 0.00 C ATOM 448 CG1 VAL A 31 6.115 -11.896 6.509 1.00 0.00 C ATOM 449 CG2 VAL A 31 5.447 -13.257 8.487 1.00 0.00 C ATOM 0 H VAL A 31 7.284 -15.247 8.344 1.00 0.00 H new ATOM 0 HA VAL A 31 5.661 -14.553 6.119 1.00 0.00 H new ATOM 0 HB VAL A 31 7.481 -12.886 7.861 1.00 0.00 H new ATOM 0 HG11 VAL A 31 6.030 -10.996 7.118 1.00 0.00 H new ATOM 0 HG12 VAL A 31 6.875 -11.745 5.743 1.00 0.00 H new ATOM 0 HG13 VAL A 31 5.157 -12.104 6.033 1.00 0.00 H new ATOM 0 HG21 VAL A 31 5.369 -12.340 9.072 1.00 0.00 H new ATOM 0 HG22 VAL A 31 4.485 -13.473 8.022 1.00 0.00 H new ATOM 0 HG23 VAL A 31 5.727 -14.082 9.142 1.00 0.00 H new ATOM 459 N LYS A 32 7.192 -14.221 4.194 1.00 0.00 N ATOM 460 CA LYS A 32 7.995 -14.019 3.003 1.00 0.00 C ATOM 461 C LYS A 32 7.927 -12.528 2.657 1.00 0.00 C ATOM 462 O LYS A 32 8.586 -11.726 3.317 1.00 0.00 O ATOM 463 CB LYS A 32 7.504 -14.964 1.890 1.00 0.00 C ATOM 464 CG LYS A 32 7.464 -16.445 2.305 1.00 0.00 C ATOM 465 CD LYS A 32 8.825 -16.988 2.761 1.00 0.00 C ATOM 466 CE LYS A 32 8.735 -18.453 3.203 1.00 0.00 C ATOM 467 NZ LYS A 32 8.357 -19.352 2.099 1.00 0.00 N ATOM 0 H LYS A 32 6.206 -14.383 3.987 1.00 0.00 H new ATOM 0 HA LYS A 32 9.045 -14.272 3.149 1.00 0.00 H new ATOM 0 HB2 LYS A 32 6.505 -14.656 1.579 1.00 0.00 H new ATOM 0 HB3 LYS A 32 8.155 -14.857 1.022 1.00 0.00 H new ATOM 0 HG2 LYS A 32 6.743 -16.569 3.113 1.00 0.00 H new ATOM 0 HG3 LYS A 32 7.107 -17.040 1.465 1.00 0.00 H new ATOM 0 HD2 LYS A 32 9.544 -16.898 1.946 1.00 0.00 H new ATOM 0 HD3 LYS A 32 9.200 -16.382 3.586 1.00 0.00 H new ATOM 0 HE2 LYS A 32 9.697 -18.766 3.610 1.00 0.00 H new ATOM 0 HE3 LYS A 32 8.004 -18.543 4.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 8.392 -20.338 2.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 7.392 -19.126 1.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 9.019 -19.227 1.307 1.00 0.00 H new ATOM 481 N SER A 33 7.128 -12.144 1.654 1.00 0.00 N ATOM 482 CA SER A 33 6.830 -10.755 1.340 1.00 0.00 C ATOM 483 C SER A 33 5.586 -10.307 2.111 1.00 0.00 C ATOM 484 O SER A 33 4.754 -11.129 2.491 1.00 0.00 O ATOM 485 CB SER A 33 6.638 -10.605 -0.173 1.00 0.00 C ATOM 486 OG SER A 33 5.646 -11.494 -0.639 1.00 0.00 O ATOM 0 H SER A 33 6.666 -12.807 1.031 1.00 0.00 H new ATOM 0 HA SER A 33 7.660 -10.117 1.643 1.00 0.00 H new ATOM 0 HB2 SER A 33 6.354 -9.579 -0.409 1.00 0.00 H new ATOM 0 HB3 SER A 33 7.580 -10.801 -0.686 1.00 0.00 H new ATOM 0 HG SER A 33 5.536 -11.383 -1.606 1.00 0.00 H new ATOM 492 N ILE A 34 5.461 -8.995 2.335 1.00 0.00 N ATOM 493 CA ILE A 34 4.320 -8.398 3.010 1.00 0.00 C ATOM 494 C ILE A 34 4.100 -6.981 2.487 1.00 0.00 C ATOM 495 O ILE A 34 5.061 -6.251 2.251 1.00 0.00 O ATOM 496 CB ILE A 34 4.510 -8.431 4.541 1.00 0.00 C ATOM 497 CG1 ILE A 34 3.329 -7.722 5.230 1.00 0.00 C ATOM 498 CG2 ILE A 34 5.847 -7.818 4.985 1.00 0.00 C ATOM 499 CD1 ILE A 34 3.299 -7.926 6.747 1.00 0.00 C ATOM 0 H ILE A 34 6.163 -8.314 2.046 1.00 0.00 H new ATOM 0 HA ILE A 34 3.424 -8.980 2.793 1.00 0.00 H new ATOM 0 HB ILE A 34 4.533 -9.477 4.845 1.00 0.00 H new ATOM 0 HG12 ILE A 34 3.380 -6.655 5.015 1.00 0.00 H new ATOM 0 HG13 ILE A 34 2.396 -8.089 4.803 1.00 0.00 H new ATOM 0 HG21 ILE A 34 5.927 -7.868 6.071 1.00 0.00 H new ATOM 0 HG22 ILE A 34 6.669 -8.374 4.534 1.00 0.00 H new ATOM 0 HG23 ILE A 34 5.894 -6.777 4.665 1.00 0.00 H new ATOM 0 HD11 ILE A 34 2.442 -7.400 7.168 1.00 0.00 H new ATOM 0 HD12 ILE A 34 3.217 -8.990 6.969 1.00 0.00 H new ATOM 0 HD13 ILE A 34 4.217 -7.534 7.185 1.00 0.00 H new ATOM 511 N ARG A 35 2.826 -6.603 2.323 1.00 0.00 N ATOM 512 CA ARG A 35 2.415 -5.238 2.055 1.00 0.00 C ATOM 513 C ARG A 35 1.216 -4.906 2.933 1.00 0.00 C ATOM 514 O ARG A 35 0.258 -5.674 2.995 1.00 0.00 O ATOM 515 CB ARG A 35 2.053 -5.030 0.579 1.00 0.00 C ATOM 516 CG ARG A 35 3.268 -4.747 -0.318 1.00 0.00 C ATOM 517 CD ARG A 35 4.131 -3.556 0.140 1.00 0.00 C ATOM 518 NE ARG A 35 3.336 -2.463 0.721 1.00 0.00 N ATOM 519 CZ ARG A 35 2.539 -1.624 0.039 1.00 0.00 C ATOM 520 NH1 ARG A 35 2.482 -1.663 -1.299 1.00 0.00 N ATOM 521 NH2 ARG A 35 1.787 -0.740 0.707 1.00 0.00 N ATOM 0 H ARG A 35 2.045 -7.257 2.376 1.00 0.00 H new ATOM 0 HA ARG A 35 3.250 -4.575 2.282 1.00 0.00 H new ATOM 0 HB2 ARG A 35 1.539 -5.918 0.211 1.00 0.00 H new ATOM 0 HB3 ARG A 35 1.352 -4.200 0.499 1.00 0.00 H new ATOM 0 HG2 ARG A 35 3.892 -5.640 -0.356 1.00 0.00 H new ATOM 0 HG3 ARG A 35 2.919 -4.559 -1.333 1.00 0.00 H new ATOM 0 HD2 ARG A 35 4.857 -3.902 0.876 1.00 0.00 H new ATOM 0 HD3 ARG A 35 4.696 -3.175 -0.711 1.00 0.00 H new ATOM 0 HE ARG A 35 3.395 -2.331 1.731 1.00 0.00 H new ATOM 0 HH11 ARG A 35 3.049 -2.337 -1.814 1.00 0.00 H new ATOM 0 HH12 ARG A 35 1.872 -1.019 -1.802 1.00 0.00 H new ATOM 0 HH21 ARG A 35 1.822 -0.707 1.726 1.00 0.00 H new ATOM 0 HH22 ARG A 35 1.179 -0.099 0.197 1.00 0.00 H new ATOM 535 N VAL A 36 1.285 -3.750 3.598 1.00 0.00 N ATOM 536 CA VAL A 36 0.228 -3.204 4.427 1.00 0.00 C ATOM 537 C VAL A 36 -0.230 -1.899 3.773 1.00 0.00 C ATOM 538 O VAL A 36 0.602 -1.091 3.361 1.00 0.00 O ATOM 539 CB VAL A 36 0.748 -3.012 5.863 1.00 0.00 C ATOM 540 CG1 VAL A 36 -0.371 -2.549 6.804 1.00 0.00 C ATOM 541 CG2 VAL A 36 1.338 -4.312 6.425 1.00 0.00 C ATOM 0 H VAL A 36 2.112 -3.153 3.567 1.00 0.00 H new ATOM 0 HA VAL A 36 -0.628 -3.875 4.501 1.00 0.00 H new ATOM 0 HB VAL A 36 1.525 -2.249 5.810 1.00 0.00 H new ATOM 0 HG11 VAL A 36 0.029 -2.423 7.810 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -0.773 -1.599 6.451 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -1.165 -3.296 6.820 1.00 0.00 H new ATOM 0 HG21 VAL A 36 1.696 -4.140 7.440 1.00 0.00 H new ATOM 0 HG22 VAL A 36 0.570 -5.085 6.437 1.00 0.00 H new ATOM 0 HG23 VAL A 36 2.169 -4.636 5.798 1.00 0.00 H new ATOM 551 N SER A 37 -1.551 -1.714 3.659 1.00 0.00 N ATOM 552 CA SER A 37 -2.181 -0.567 3.016 1.00 0.00 C ATOM 553 C SER A 37 -2.919 0.291 4.044 1.00 0.00 C ATOM 554 O SER A 37 -3.676 -0.236 4.858 1.00 0.00 O ATOM 555 CB SER A 37 -3.163 -1.067 1.953 1.00 0.00 C ATOM 556 OG SER A 37 -3.847 0.015 1.349 1.00 0.00 O ATOM 0 H SER A 37 -2.228 -2.383 4.025 1.00 0.00 H new ATOM 0 HA SER A 37 -1.411 0.047 2.550 1.00 0.00 H new ATOM 0 HB2 SER A 37 -2.625 -1.633 1.192 1.00 0.00 H new ATOM 0 HB3 SER A 37 -3.882 -1.749 2.408 1.00 0.00 H new ATOM 0 HG SER A 37 -3.432 0.223 0.486 1.00 0.00 H new ATOM 562 N LEU A 38 -2.714 1.613 3.973 1.00 0.00 N ATOM 563 CA LEU A 38 -3.467 2.603 4.733 1.00 0.00 C ATOM 564 C LEU A 38 -4.884 2.670 4.154 1.00 0.00 C ATOM 565 O LEU A 38 -5.861 2.464 4.870 1.00 0.00 O ATOM 566 CB LEU A 38 -2.741 3.964 4.644 1.00 0.00 C ATOM 567 CG LEU A 38 -3.092 5.013 5.719 1.00 0.00 C ATOM 568 CD1 LEU A 38 -4.589 5.314 5.831 1.00 0.00 C ATOM 569 CD2 LEU A 38 -2.533 4.641 7.096 1.00 0.00 C ATOM 0 H LEU A 38 -2.003 2.027 3.370 1.00 0.00 H new ATOM 0 HA LEU A 38 -3.535 2.333 5.787 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -1.668 3.780 4.688 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -2.951 4.397 3.666 1.00 0.00 H new ATOM 0 HG LEU A 38 -2.608 5.926 5.373 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -4.753 6.061 6.608 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -4.956 5.696 4.878 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -5.126 4.400 6.087 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -2.806 5.409 7.819 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -2.948 3.683 7.410 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -1.447 4.565 7.040 1.00 0.00 H new ATOM 581 N ALA A 39 -4.975 2.950 2.846 1.00 0.00 N ATOM 582 CA ALA A 39 -6.218 3.145 2.110 1.00 0.00 C ATOM 583 C ALA A 39 -7.206 1.998 2.324 1.00 0.00 C ATOM 584 O ALA A 39 -8.377 2.243 2.604 1.00 0.00 O ATOM 585 CB ALA A 39 -5.903 3.318 0.622 1.00 0.00 C ATOM 0 H ALA A 39 -4.149 3.049 2.255 1.00 0.00 H new ATOM 0 HA ALA A 39 -6.699 4.045 2.492 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -6.830 3.464 0.068 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -5.258 4.186 0.485 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -5.396 2.427 0.252 1.00 0.00 H new ATOM 591 N ASN A 40 -6.732 0.752 2.200 1.00 0.00 N ATOM 592 CA ASN A 40 -7.568 -0.433 2.360 1.00 0.00 C ATOM 593 C ASN A 40 -7.605 -0.904 3.818 1.00 0.00 C ATOM 594 O ASN A 40 -8.420 -1.763 4.147 1.00 0.00 O ATOM 595 CB ASN A 40 -7.072 -1.556 1.440 1.00 0.00 C ATOM 596 CG ASN A 40 -7.122 -1.159 -0.034 1.00 0.00 C ATOM 597 OD1 ASN A 40 -8.125 -1.383 -0.706 1.00 0.00 O ATOM 598 ND2 ASN A 40 -6.036 -0.574 -0.545 1.00 0.00 N ATOM 0 H ASN A 40 -5.757 0.542 1.986 1.00 0.00 H new ATOM 0 HA ASN A 40 -8.587 -0.168 2.077 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -6.049 -1.819 1.709 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -7.681 -2.446 1.596 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -6.020 -0.296 -1.526 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -5.222 -0.405 0.046 1.00 0.00 H new ATOM 605 N SER A 41 -6.745 -0.348 4.687 1.00 0.00 N ATOM 606 CA SER A 41 -6.685 -0.648 6.114 1.00 0.00 C ATOM 607 C SER A 41 -6.585 -2.156 6.350 1.00 0.00 C ATOM 608 O SER A 41 -7.415 -2.744 7.042 1.00 0.00 O ATOM 609 CB SER A 41 -7.873 -0.005 6.840 1.00 0.00 C ATOM 610 OG SER A 41 -7.784 1.403 6.753 1.00 0.00 O ATOM 0 H SER A 41 -6.053 0.344 4.399 1.00 0.00 H new ATOM 0 HA SER A 41 -5.780 -0.212 6.536 1.00 0.00 H new ATOM 0 HB2 SER A 41 -8.809 -0.347 6.398 1.00 0.00 H new ATOM 0 HB3 SER A 41 -7.882 -0.314 7.885 1.00 0.00 H new ATOM 0 HG SER A 41 -7.094 1.648 6.102 1.00 0.00 H new ATOM 616 N ASN A 42 -5.563 -2.779 5.754 1.00 0.00 N ATOM 617 CA ASN A 42 -5.364 -4.218 5.820 1.00 0.00 C ATOM 618 C ASN A 42 -3.901 -4.582 5.581 1.00 0.00 C ATOM 619 O ASN A 42 -3.120 -3.764 5.094 1.00 0.00 O ATOM 620 CB ASN A 42 -6.318 -4.941 4.850 1.00 0.00 C ATOM 621 CG ASN A 42 -6.082 -4.643 3.369 1.00 0.00 C ATOM 622 OD1 ASN A 42 -5.158 -3.927 2.993 1.00 0.00 O ATOM 623 ND2 ASN A 42 -6.937 -5.203 2.511 1.00 0.00 N ATOM 0 H ASN A 42 -4.851 -2.291 5.211 1.00 0.00 H new ATOM 0 HA ASN A 42 -5.609 -4.559 6.826 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -6.227 -6.016 5.008 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -7.343 -4.668 5.101 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -6.834 -5.041 1.509 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -7.694 -5.793 2.857 1.00 0.00 H new ATOM 630 N GLY A 43 -3.554 -5.822 5.937 1.00 0.00 N ATOM 631 CA GLY A 43 -2.243 -6.418 5.790 1.00 0.00 C ATOM 632 C GLY A 43 -2.362 -7.657 4.912 1.00 0.00 C ATOM 633 O GLY A 43 -2.982 -8.638 5.318 1.00 0.00 O ATOM 0 H GLY A 43 -4.225 -6.465 6.358 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -1.552 -5.704 5.343 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -1.838 -6.685 6.766 1.00 0.00 H new ATOM 637 N THR A 44 -1.758 -7.602 3.720 1.00 0.00 N ATOM 638 CA THR A 44 -1.681 -8.700 2.771 1.00 0.00 C ATOM 639 C THR A 44 -0.302 -9.332 2.936 1.00 0.00 C ATOM 640 O THR A 44 0.705 -8.730 2.563 1.00 0.00 O ATOM 641 CB THR A 44 -1.908 -8.169 1.348 1.00 0.00 C ATOM 642 OG1 THR A 44 -3.194 -7.589 1.275 1.00 0.00 O ATOM 643 CG2 THR A 44 -1.806 -9.289 0.307 1.00 0.00 C ATOM 0 H THR A 44 -1.295 -6.757 3.385 1.00 0.00 H new ATOM 0 HA THR A 44 -2.450 -9.451 2.952 1.00 0.00 H new ATOM 0 HB THR A 44 -1.136 -7.430 1.131 1.00 0.00 H new ATOM 0 HG1 THR A 44 -3.347 -7.246 0.370 1.00 0.00 H new ATOM 0 HG21 THR A 44 -1.972 -8.877 -0.688 1.00 0.00 H new ATOM 0 HG22 THR A 44 -0.814 -9.739 0.353 1.00 0.00 H new ATOM 0 HG23 THR A 44 -2.559 -10.049 0.515 1.00 0.00 H new ATOM 651 N VAL A 45 -0.270 -10.532 3.525 1.00 0.00 N ATOM 652 CA VAL A 45 0.945 -11.206 3.953 1.00 0.00 C ATOM 653 C VAL A 45 1.106 -12.512 3.178 1.00 0.00 C ATOM 654 O VAL A 45 0.168 -13.306 3.116 1.00 0.00 O ATOM 655 CB VAL A 45 0.875 -11.496 5.467 1.00 0.00 C ATOM 656 CG1 VAL A 45 2.254 -11.920 5.987 1.00 0.00 C ATOM 657 CG2 VAL A 45 0.375 -10.293 6.280 1.00 0.00 C ATOM 0 H VAL A 45 -1.115 -11.070 3.719 1.00 0.00 H new ATOM 0 HA VAL A 45 1.804 -10.564 3.755 1.00 0.00 H new ATOM 0 HB VAL A 45 0.155 -12.304 5.598 1.00 0.00 H new ATOM 0 HG11 VAL A 45 2.193 -12.122 7.056 1.00 0.00 H new ATOM 0 HG12 VAL A 45 2.579 -12.820 5.465 1.00 0.00 H new ATOM 0 HG13 VAL A 45 2.972 -11.119 5.809 1.00 0.00 H new ATOM 0 HG21 VAL A 45 0.346 -10.555 7.338 1.00 0.00 H new ATOM 0 HG22 VAL A 45 1.049 -9.449 6.133 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -0.626 -10.019 5.947 1.00 0.00 H new ATOM 667 N GLU A 46 2.296 -12.735 2.606 1.00 0.00 N ATOM 668 CA GLU A 46 2.686 -14.023 2.053 1.00 0.00 C ATOM 669 C GLU A 46 3.431 -14.745 3.170 1.00 0.00 C ATOM 670 O GLU A 46 4.344 -14.166 3.757 1.00 0.00 O ATOM 671 CB GLU A 46 3.579 -13.858 0.820 1.00 0.00 C ATOM 672 CG GLU A 46 2.858 -13.144 -0.328 1.00 0.00 C ATOM 673 CD GLU A 46 1.607 -13.879 -0.804 1.00 0.00 C ATOM 674 OE1 GLU A 46 1.652 -15.128 -0.863 1.00 0.00 O ATOM 675 OE2 GLU A 46 0.624 -13.171 -1.106 1.00 0.00 O ATOM 0 H GLU A 46 3.015 -12.017 2.517 1.00 0.00 H new ATOM 0 HA GLU A 46 1.814 -14.586 1.719 1.00 0.00 H new ATOM 0 HB2 GLU A 46 4.471 -13.294 1.093 1.00 0.00 H new ATOM 0 HB3 GLU A 46 3.913 -14.839 0.482 1.00 0.00 H new ATOM 0 HG2 GLU A 46 2.581 -12.140 -0.006 1.00 0.00 H new ATOM 0 HG3 GLU A 46 3.546 -13.031 -1.166 1.00 0.00 H new ATOM 682 N TYR A 47 3.032 -15.980 3.488 1.00 0.00 N ATOM 683 CA TYR A 47 3.512 -16.685 4.667 1.00 0.00 C ATOM 684 C TYR A 47 3.549 -18.191 4.425 1.00 0.00 C ATOM 685 O TYR A 47 2.797 -18.695 3.596 1.00 0.00 O ATOM 686 CB TYR A 47 2.607 -16.361 5.864 1.00 0.00 C ATOM 687 CG TYR A 47 1.270 -17.086 5.841 1.00 0.00 C ATOM 688 CD1 TYR A 47 0.312 -16.754 4.864 1.00 0.00 C ATOM 689 CD2 TYR A 47 1.083 -18.238 6.630 1.00 0.00 C ATOM 690 CE1 TYR A 47 -0.808 -17.579 4.662 1.00 0.00 C ATOM 691 CE2 TYR A 47 -0.065 -19.029 6.462 1.00 0.00 C ATOM 692 CZ TYR A 47 -1.008 -18.704 5.477 1.00 0.00 C ATOM 693 OH TYR A 47 -2.112 -19.487 5.311 1.00 0.00 O ATOM 0 H TYR A 47 2.366 -16.515 2.931 1.00 0.00 H new ATOM 0 HA TYR A 47 4.528 -16.354 4.882 1.00 0.00 H new ATOM 0 HB2 TYR A 47 3.132 -16.618 6.784 1.00 0.00 H new ATOM 0 HB3 TYR A 47 2.426 -15.286 5.889 1.00 0.00 H new ATOM 0 HD1 TYR A 47 0.438 -15.862 4.268 1.00 0.00 H new ATOM 0 HD2 TYR A 47 1.824 -18.513 7.366 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -1.515 -17.347 3.879 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -0.222 -19.891 7.094 1.00 0.00 H new ATOM 0 HH TYR A 47 -1.967 -20.102 4.562 1.00 0.00 H new ATOM 703 N ASP A 48 4.403 -18.901 5.172 1.00 0.00 N ATOM 704 CA ASP A 48 4.485 -20.354 5.166 1.00 0.00 C ATOM 705 C ASP A 48 3.630 -20.916 6.315 1.00 0.00 C ATOM 706 O ASP A 48 3.974 -20.681 7.472 1.00 0.00 O ATOM 707 CB ASP A 48 5.955 -20.770 5.320 1.00 0.00 C ATOM 708 CG ASP A 48 6.181 -22.284 5.318 1.00 0.00 C ATOM 709 OD1 ASP A 48 5.206 -23.030 5.081 1.00 0.00 O ATOM 710 OD2 ASP A 48 7.345 -22.673 5.554 1.00 0.00 O ATOM 0 H ASP A 48 5.069 -18.465 5.810 1.00 0.00 H new ATOM 0 HA ASP A 48 4.104 -20.754 4.226 1.00 0.00 H new ATOM 0 HB2 ASP A 48 6.534 -20.326 4.510 1.00 0.00 H new ATOM 0 HB3 ASP A 48 6.342 -20.357 6.251 1.00 0.00 H new ATOM 715 N PRO A 49 2.550 -21.667 6.022 1.00 0.00 N ATOM 716 CA PRO A 49 1.739 -22.382 7.004 1.00 0.00 C ATOM 717 C PRO A 49 2.541 -23.177 8.037 1.00 0.00 C ATOM 718 O PRO A 49 2.143 -23.257 9.197 1.00 0.00 O ATOM 719 CB PRO A 49 0.837 -23.315 6.196 1.00 0.00 C ATOM 720 CG PRO A 49 0.653 -22.555 4.888 1.00 0.00 C ATOM 721 CD PRO A 49 2.020 -21.905 4.687 1.00 0.00 C ATOM 0 HA PRO A 49 1.185 -21.657 7.600 1.00 0.00 H new ATOM 0 HB2 PRO A 49 1.301 -24.288 6.037 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -0.114 -23.493 6.698 1.00 0.00 H new ATOM 0 HG2 PRO A 49 0.396 -23.221 4.065 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -0.142 -21.813 4.958 1.00 0.00 H new ATOM 0 HD2 PRO A 49 2.681 -22.556 4.115 1.00 0.00 H new ATOM 0 HD3 PRO A 49 1.931 -20.972 4.130 1.00 0.00 H new ATOM 729 N LEU A 50 3.663 -23.772 7.615 1.00 0.00 N ATOM 730 CA LEU A 50 4.495 -24.613 8.465 1.00 0.00 C ATOM 731 C LEU A 50 5.150 -23.817 9.600 1.00 0.00 C ATOM 732 O LEU A 50 5.422 -24.385 10.656 1.00 0.00 O ATOM 733 CB LEU A 50 5.570 -25.309 7.615 1.00 0.00 C ATOM 734 CG LEU A 50 5.013 -26.134 6.439 1.00 0.00 C ATOM 735 CD1 LEU A 50 6.182 -26.662 5.599 1.00 0.00 C ATOM 736 CD2 LEU A 50 4.156 -27.310 6.918 1.00 0.00 C ATOM 0 H LEU A 50 4.017 -23.678 6.663 1.00 0.00 H new ATOM 0 HA LEU A 50 3.850 -25.361 8.925 1.00 0.00 H new ATOM 0 HB2 LEU A 50 6.252 -24.554 7.223 1.00 0.00 H new ATOM 0 HB3 LEU A 50 6.157 -25.965 8.258 1.00 0.00 H new ATOM 0 HG LEU A 50 4.375 -25.482 5.842 1.00 0.00 H new ATOM 0 HD11 LEU A 50 5.795 -27.247 4.765 1.00 0.00 H new ATOM 0 HD12 LEU A 50 6.763 -25.823 5.216 1.00 0.00 H new ATOM 0 HD13 LEU A 50 6.820 -27.292 6.219 1.00 0.00 H new ATOM 0 HD21 LEU A 50 3.784 -27.864 6.056 1.00 0.00 H new ATOM 0 HD22 LEU A 50 4.760 -27.970 7.541 1.00 0.00 H new ATOM 0 HD23 LEU A 50 3.314 -26.934 7.498 1.00 0.00 H new ATOM 748 N LEU A 51 5.416 -22.521 9.382 1.00 0.00 N ATOM 749 CA LEU A 51 6.182 -21.676 10.292 1.00 0.00 C ATOM 750 C LEU A 51 5.301 -20.647 11.009 1.00 0.00 C ATOM 751 O LEU A 51 5.580 -20.316 12.160 1.00 0.00 O ATOM 752 CB LEU A 51 7.309 -20.992 9.508 1.00 0.00 C ATOM 753 CG LEU A 51 8.351 -21.975 8.942 1.00 0.00 C ATOM 754 CD1 LEU A 51 9.324 -21.219 8.030 1.00 0.00 C ATOM 755 CD2 LEU A 51 9.152 -22.672 10.050 1.00 0.00 C ATOM 0 H LEU A 51 5.095 -22.027 8.549 1.00 0.00 H new ATOM 0 HA LEU A 51 6.609 -22.306 11.072 1.00 0.00 H new ATOM 0 HB2 LEU A 51 6.875 -20.423 8.686 1.00 0.00 H new ATOM 0 HB3 LEU A 51 7.812 -20.278 10.160 1.00 0.00 H new ATOM 0 HG LEU A 51 7.809 -22.739 8.384 1.00 0.00 H new ATOM 0 HD11 LEU A 51 10.062 -21.914 7.629 1.00 0.00 H new ATOM 0 HD12 LEU A 51 8.772 -20.762 7.209 1.00 0.00 H new ATOM 0 HD13 LEU A 51 9.831 -20.443 8.603 1.00 0.00 H new ATOM 0 HD21 LEU A 51 9.874 -23.355 9.602 1.00 0.00 H new ATOM 0 HD22 LEU A 51 9.679 -21.925 10.643 1.00 0.00 H new ATOM 0 HD23 LEU A 51 8.473 -23.232 10.693 1.00 0.00 H new ATOM 767 N THR A 52 4.246 -20.141 10.355 1.00 0.00 N ATOM 768 CA THR A 52 3.297 -19.206 10.954 1.00 0.00 C ATOM 769 C THR A 52 1.901 -19.436 10.369 1.00 0.00 C ATOM 770 O THR A 52 1.721 -20.320 9.534 1.00 0.00 O ATOM 771 CB THR A 52 3.802 -17.760 10.794 1.00 0.00 C ATOM 772 OG1 THR A 52 3.078 -16.888 11.635 1.00 0.00 O ATOM 773 CG2 THR A 52 3.703 -17.254 9.353 1.00 0.00 C ATOM 0 H THR A 52 4.030 -20.375 9.386 1.00 0.00 H new ATOM 0 HA THR A 52 3.218 -19.384 12.026 1.00 0.00 H new ATOM 0 HB THR A 52 4.855 -17.771 11.075 1.00 0.00 H new ATOM 0 HG1 THR A 52 3.412 -15.973 11.523 1.00 0.00 H new ATOM 0 HG21 THR A 52 4.073 -16.230 9.301 1.00 0.00 H new ATOM 0 HG22 THR A 52 4.303 -17.890 8.702 1.00 0.00 H new ATOM 0 HG23 THR A 52 2.663 -17.281 9.029 1.00 0.00 H new ATOM 781 N SER A 53 0.909 -18.655 10.811 1.00 0.00 N ATOM 782 CA SER A 53 -0.484 -18.810 10.409 1.00 0.00 C ATOM 783 C SER A 53 -1.194 -17.452 10.433 1.00 0.00 C ATOM 784 O SER A 53 -0.698 -16.531 11.082 1.00 0.00 O ATOM 785 CB SER A 53 -1.174 -19.807 11.352 1.00 0.00 C ATOM 786 OG SER A 53 -1.382 -19.230 12.624 1.00 0.00 O ATOM 0 H SER A 53 1.059 -17.888 11.467 1.00 0.00 H new ATOM 0 HA SER A 53 -0.532 -19.196 9.391 1.00 0.00 H new ATOM 0 HB2 SER A 53 -2.129 -20.116 10.927 1.00 0.00 H new ATOM 0 HB3 SER A 53 -0.563 -20.705 11.450 1.00 0.00 H new ATOM 0 HG SER A 53 -1.824 -19.880 13.210 1.00 0.00 H new ATOM 792 N PRO A 54 -2.353 -17.307 9.763 1.00 0.00 N ATOM 793 CA PRO A 54 -3.180 -16.109 9.840 1.00 0.00 C ATOM 794 C PRO A 54 -3.487 -15.711 11.285 1.00 0.00 C ATOM 795 O PRO A 54 -3.473 -14.529 11.615 1.00 0.00 O ATOM 796 CB PRO A 54 -4.463 -16.436 9.070 1.00 0.00 C ATOM 797 CG PRO A 54 -4.009 -17.506 8.081 1.00 0.00 C ATOM 798 CD PRO A 54 -2.987 -18.290 8.897 1.00 0.00 C ATOM 0 HA PRO A 54 -2.660 -15.253 9.410 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -5.247 -16.805 9.731 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -4.862 -15.559 8.560 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -4.837 -18.135 7.754 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -3.566 -17.070 7.185 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -3.468 -19.076 9.480 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -2.256 -18.775 8.250 1.00 0.00 H new ATOM 806 N GLU A 55 -3.755 -16.706 12.142 1.00 0.00 N ATOM 807 CA GLU A 55 -4.059 -16.514 13.551 1.00 0.00 C ATOM 808 C GLU A 55 -2.854 -15.937 14.297 1.00 0.00 C ATOM 809 O GLU A 55 -3.003 -14.987 15.061 1.00 0.00 O ATOM 810 CB GLU A 55 -4.490 -17.845 14.178 1.00 0.00 C ATOM 811 CG GLU A 55 -5.711 -18.447 13.473 1.00 0.00 C ATOM 812 CD GLU A 55 -6.188 -19.701 14.196 1.00 0.00 C ATOM 813 OE1 GLU A 55 -7.025 -19.544 15.112 1.00 0.00 O ATOM 814 OE2 GLU A 55 -5.706 -20.792 13.823 1.00 0.00 O ATOM 0 H GLU A 55 -3.765 -17.686 11.860 1.00 0.00 H new ATOM 0 HA GLU A 55 -4.879 -15.800 13.634 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -3.661 -18.552 14.133 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -4.720 -17.691 15.232 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -6.516 -17.713 13.439 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -5.458 -18.690 12.441 1.00 0.00 H new ATOM 821 N THR A 56 -1.663 -16.509 14.074 1.00 0.00 N ATOM 822 CA THR A 56 -0.427 -16.034 14.682 1.00 0.00 C ATOM 823 C THR A 56 -0.155 -14.583 14.275 1.00 0.00 C ATOM 824 O THR A 56 0.152 -13.750 15.124 1.00 0.00 O ATOM 825 CB THR A 56 0.739 -16.948 14.275 1.00 0.00 C ATOM 826 OG1 THR A 56 0.419 -18.294 14.552 1.00 0.00 O ATOM 827 CG2 THR A 56 2.030 -16.585 15.016 1.00 0.00 C ATOM 0 H THR A 56 -1.536 -17.316 13.464 1.00 0.00 H new ATOM 0 HA THR A 56 -0.528 -16.064 15.767 1.00 0.00 H new ATOM 0 HB THR A 56 0.901 -16.810 13.206 1.00 0.00 H new ATOM 0 HG1 THR A 56 -0.175 -18.639 13.853 1.00 0.00 H new ATOM 0 HG21 THR A 56 2.831 -17.254 14.701 1.00 0.00 H new ATOM 0 HG22 THR A 56 2.305 -15.556 14.785 1.00 0.00 H new ATOM 0 HG23 THR A 56 1.874 -16.687 16.090 1.00 0.00 H new ATOM 835 N LEU A 57 -0.276 -14.289 12.974 1.00 0.00 N ATOM 836 CA LEU A 57 -0.055 -12.962 12.419 1.00 0.00 C ATOM 837 C LEU A 57 -1.036 -11.958 13.024 1.00 0.00 C ATOM 838 O LEU A 57 -0.612 -10.914 13.512 1.00 0.00 O ATOM 839 CB LEU A 57 -0.163 -13.015 10.889 1.00 0.00 C ATOM 840 CG LEU A 57 0.970 -13.834 10.244 1.00 0.00 C ATOM 841 CD1 LEU A 57 0.596 -14.186 8.801 1.00 0.00 C ATOM 842 CD2 LEU A 57 2.300 -13.073 10.254 1.00 0.00 C ATOM 0 H LEU A 57 -0.535 -14.983 12.272 1.00 0.00 H new ATOM 0 HA LEU A 57 0.950 -12.625 12.675 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -1.124 -13.449 10.611 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -0.144 -12.000 10.492 1.00 0.00 H new ATOM 0 HG LEU A 57 1.098 -14.743 10.832 1.00 0.00 H new ATOM 0 HD11 LEU A 57 1.400 -14.766 8.348 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -0.322 -14.774 8.796 1.00 0.00 H new ATOM 0 HD13 LEU A 57 0.443 -13.270 8.231 1.00 0.00 H new ATOM 0 HD21 LEU A 57 3.073 -13.685 9.790 1.00 0.00 H new ATOM 0 HD22 LEU A 57 2.191 -12.143 9.697 1.00 0.00 H new ATOM 0 HD23 LEU A 57 2.583 -12.849 11.282 1.00 0.00 H new ATOM 854 N ARG A 58 -2.336 -12.279 13.021 1.00 0.00 N ATOM 855 CA ARG A 58 -3.375 -11.493 13.677 1.00 0.00 C ATOM 856 C ARG A 58 -2.987 -11.197 15.129 1.00 0.00 C ATOM 857 O ARG A 58 -3.088 -10.055 15.572 1.00 0.00 O ATOM 858 CB ARG A 58 -4.705 -12.251 13.580 1.00 0.00 C ATOM 859 CG ARG A 58 -5.842 -11.558 14.340 1.00 0.00 C ATOM 860 CD ARG A 58 -7.190 -12.230 14.061 1.00 0.00 C ATOM 861 NE ARG A 58 -7.148 -13.679 14.298 1.00 0.00 N ATOM 862 CZ ARG A 58 -7.130 -14.272 15.503 1.00 0.00 C ATOM 863 NH1 ARG A 58 -7.163 -13.547 16.631 1.00 0.00 N ATOM 864 NH2 ARG A 58 -7.078 -15.608 15.582 1.00 0.00 N ATOM 0 H ARG A 58 -2.697 -13.110 12.552 1.00 0.00 H new ATOM 0 HA ARG A 58 -3.488 -10.530 13.178 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -4.984 -12.352 12.531 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -4.573 -13.259 13.973 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -5.635 -11.583 15.410 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -5.890 -10.509 14.049 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -7.955 -11.782 14.695 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -7.481 -12.041 13.028 1.00 0.00 H new ATOM 0 HE ARG A 58 -7.131 -14.286 13.478 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -7.202 -12.529 16.582 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -7.149 -14.014 17.538 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -7.052 -16.169 14.730 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -7.064 -16.065 16.494 1.00 0.00 H new ATOM 878 N GLY A 59 -2.528 -12.223 15.855 1.00 0.00 N ATOM 879 CA GLY A 59 -2.027 -12.101 17.215 1.00 0.00 C ATOM 880 C GLY A 59 -0.895 -11.078 17.322 1.00 0.00 C ATOM 881 O GLY A 59 -0.913 -10.244 18.223 1.00 0.00 O ATOM 0 H GLY A 59 -2.497 -13.178 15.499 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -2.843 -11.809 17.876 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -1.671 -13.072 17.558 1.00 0.00 H new ATOM 885 N ALA A 60 0.086 -11.138 16.411 1.00 0.00 N ATOM 886 CA ALA A 60 1.226 -10.228 16.394 1.00 0.00 C ATOM 887 C ALA A 60 0.783 -8.778 16.180 1.00 0.00 C ATOM 888 O ALA A 60 1.224 -7.890 16.905 1.00 0.00 O ATOM 889 CB ALA A 60 2.234 -10.669 15.329 1.00 0.00 C ATOM 0 H ALA A 60 0.105 -11.828 15.660 1.00 0.00 H new ATOM 0 HA ALA A 60 1.714 -10.270 17.368 1.00 0.00 H new ATOM 0 HB1 ALA A 60 3.081 -9.983 15.324 1.00 0.00 H new ATOM 0 HB2 ALA A 60 2.584 -11.677 15.554 1.00 0.00 H new ATOM 0 HB3 ALA A 60 1.755 -10.661 14.350 1.00 0.00 H new ATOM 895 N ILE A 61 -0.097 -8.534 15.201 1.00 0.00 N ATOM 896 CA ILE A 61 -0.669 -7.214 14.950 1.00 0.00 C ATOM 897 C ILE A 61 -1.402 -6.708 16.197 1.00 0.00 C ATOM 898 O ILE A 61 -1.254 -5.546 16.578 1.00 0.00 O ATOM 899 CB ILE A 61 -1.620 -7.272 13.741 1.00 0.00 C ATOM 900 CG1 ILE A 61 -0.956 -7.734 12.431 1.00 0.00 C ATOM 901 CG2 ILE A 61 -2.280 -5.906 13.536 1.00 0.00 C ATOM 902 CD1 ILE A 61 0.074 -6.754 11.874 1.00 0.00 C ATOM 0 H ILE A 61 -0.431 -9.253 14.560 1.00 0.00 H new ATOM 0 HA ILE A 61 0.136 -6.515 14.721 1.00 0.00 H new ATOM 0 HB ILE A 61 -2.365 -8.031 13.981 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -0.472 -8.696 12.601 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -1.730 -7.896 11.681 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -2.952 -5.952 12.679 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -2.846 -5.638 14.428 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -1.512 -5.154 13.355 1.00 0.00 H new ATOM 0 HD11 ILE A 61 0.495 -7.154 10.951 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -0.407 -5.798 11.669 1.00 0.00 H new ATOM 0 HD13 ILE A 61 0.871 -6.610 12.604 1.00 0.00 H new ATOM 914 N GLU A 62 -2.193 -7.580 16.832 1.00 0.00 N ATOM 915 CA GLU A 62 -2.944 -7.245 18.031 1.00 0.00 C ATOM 916 C GLU A 62 -2.002 -6.897 19.187 1.00 0.00 C ATOM 917 O GLU A 62 -2.285 -5.978 19.953 1.00 0.00 O ATOM 918 CB GLU A 62 -3.896 -8.399 18.378 1.00 0.00 C ATOM 919 CG GLU A 62 -5.076 -7.933 19.238 1.00 0.00 C ATOM 920 CD GLU A 62 -5.987 -6.968 18.480 1.00 0.00 C ATOM 921 OE1 GLU A 62 -6.520 -7.389 17.429 1.00 0.00 O ATOM 922 OE2 GLU A 62 -6.132 -5.823 18.961 1.00 0.00 O ATOM 0 H GLU A 62 -2.326 -8.542 16.521 1.00 0.00 H new ATOM 0 HA GLU A 62 -3.547 -6.356 17.847 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -4.273 -8.847 17.458 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -3.345 -9.176 18.909 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -5.654 -8.799 19.562 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -4.700 -7.446 20.138 1.00 0.00 H new ATOM 929 N ASP A 63 -0.877 -7.616 19.299 1.00 0.00 N ATOM 930 CA ASP A 63 0.156 -7.362 20.292 1.00 0.00 C ATOM 931 C ASP A 63 0.805 -5.993 20.069 1.00 0.00 C ATOM 932 O ASP A 63 1.010 -5.259 21.035 1.00 0.00 O ATOM 933 CB ASP A 63 1.191 -8.494 20.270 1.00 0.00 C ATOM 934 CG ASP A 63 2.260 -8.296 21.341 1.00 0.00 C ATOM 935 OD1 ASP A 63 1.968 -8.644 22.506 1.00 0.00 O ATOM 936 OD2 ASP A 63 3.347 -7.799 20.977 1.00 0.00 O ATOM 0 H ASP A 63 -0.663 -8.403 18.687 1.00 0.00 H new ATOM 0 HA ASP A 63 -0.301 -7.340 21.282 1.00 0.00 H new ATOM 0 HB2 ASP A 63 0.690 -9.449 20.427 1.00 0.00 H new ATOM 0 HB3 ASP A 63 1.662 -8.538 19.288 1.00 0.00 H new ATOM 941 N MET A 64 1.116 -5.641 18.812 1.00 0.00 N ATOM 942 CA MET A 64 1.605 -4.308 18.470 1.00 0.00 C ATOM 943 C MET A 64 0.581 -3.242 18.875 1.00 0.00 C ATOM 944 O MET A 64 0.965 -2.204 19.410 1.00 0.00 O ATOM 945 CB MET A 64 1.955 -4.202 16.978 1.00 0.00 C ATOM 946 CG MET A 64 3.200 -5.018 16.615 1.00 0.00 C ATOM 947 SD MET A 64 3.773 -4.818 14.904 1.00 0.00 S ATOM 948 CE MET A 64 4.451 -3.139 14.992 1.00 0.00 C ATOM 0 H MET A 64 1.035 -6.271 18.014 1.00 0.00 H new ATOM 0 HA MET A 64 2.523 -4.132 19.030 1.00 0.00 H new ATOM 0 HB2 MET A 64 1.110 -4.548 16.383 1.00 0.00 H new ATOM 0 HB3 MET A 64 2.120 -3.156 16.719 1.00 0.00 H new ATOM 0 HG2 MET A 64 4.010 -4.738 17.289 1.00 0.00 H new ATOM 0 HG3 MET A 64 2.989 -6.073 16.791 1.00 0.00 H new ATOM 0 HE1 MET A 64 5.004 -2.921 14.078 1.00 0.00 H new ATOM 0 HE2 MET A 64 3.637 -2.423 15.103 1.00 0.00 H new ATOM 0 HE3 MET A 64 5.121 -3.062 15.848 1.00 0.00 H new ATOM 958 N GLY A 65 -0.711 -3.510 18.640 1.00 0.00 N ATOM 959 CA GLY A 65 -1.817 -2.710 19.150 1.00 0.00 C ATOM 960 C GLY A 65 -2.686 -2.162 18.026 1.00 0.00 C ATOM 961 O GLY A 65 -2.885 -0.952 17.941 1.00 0.00 O ATOM 0 H GLY A 65 -1.015 -4.306 18.079 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -2.428 -3.318 19.818 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -1.424 -1.883 19.742 1.00 0.00 H new ATOM 965 N PHE A 66 -3.213 -3.054 17.177 1.00 0.00 N ATOM 966 CA PHE A 66 -4.163 -2.711 16.127 1.00 0.00 C ATOM 967 C PHE A 66 -5.223 -3.807 16.049 1.00 0.00 C ATOM 968 O PHE A 66 -4.897 -4.987 16.166 1.00 0.00 O ATOM 969 CB PHE A 66 -3.443 -2.540 14.787 1.00 0.00 C ATOM 970 CG PHE A 66 -2.288 -1.564 14.811 1.00 0.00 C ATOM 971 CD1 PHE A 66 -2.535 -0.193 14.628 1.00 0.00 C ATOM 972 CD2 PHE A 66 -0.987 -2.009 15.119 1.00 0.00 C ATOM 973 CE1 PHE A 66 -1.492 0.737 14.763 1.00 0.00 C ATOM 974 CE2 PHE A 66 0.054 -1.076 15.271 1.00 0.00 C ATOM 975 CZ PHE A 66 -0.197 0.297 15.092 1.00 0.00 C ATOM 0 H PHE A 66 -2.984 -4.047 17.206 1.00 0.00 H new ATOM 0 HA PHE A 66 -4.646 -1.762 16.359 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -3.073 -3.512 14.462 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -4.166 -2.209 14.041 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -3.530 0.147 14.383 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -0.790 -3.064 15.238 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -1.684 1.789 14.614 1.00 0.00 H new ATOM 0 HE2 PHE A 66 1.048 -1.414 15.526 1.00 0.00 H new ATOM 0 HZ PHE A 66 0.604 1.012 15.207 1.00 0.00 H new ATOM 985 N ASP A 67 -6.488 -3.416 15.855 1.00 0.00 N ATOM 986 CA ASP A 67 -7.620 -4.332 15.851 1.00 0.00 C ATOM 987 C ASP A 67 -7.617 -5.139 14.553 1.00 0.00 C ATOM 988 O ASP A 67 -8.106 -4.672 13.526 1.00 0.00 O ATOM 989 CB ASP A 67 -8.919 -3.542 16.029 1.00 0.00 C ATOM 990 CG ASP A 67 -8.965 -2.829 17.377 1.00 0.00 C ATOM 991 OD1 ASP A 67 -9.377 -3.487 18.356 1.00 0.00 O ATOM 992 OD2 ASP A 67 -8.585 -1.638 17.403 1.00 0.00 O ATOM 0 H ASP A 67 -6.751 -2.443 15.695 1.00 0.00 H new ATOM 0 HA ASP A 67 -7.541 -5.034 16.681 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -9.013 -2.810 15.227 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -9.770 -4.218 15.945 1.00 0.00 H new ATOM 997 N ALA A 68 -7.050 -6.348 14.618 1.00 0.00 N ATOM 998 CA ALA A 68 -6.828 -7.227 13.480 1.00 0.00 C ATOM 999 C ALA A 68 -7.911 -8.303 13.413 1.00 0.00 C ATOM 1000 O ALA A 68 -8.221 -8.933 14.421 1.00 0.00 O ATOM 1001 CB ALA A 68 -5.439 -7.850 13.616 1.00 0.00 C ATOM 0 H ALA A 68 -6.724 -6.749 15.497 1.00 0.00 H new ATOM 0 HA ALA A 68 -6.881 -6.658 12.552 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -5.253 -8.513 12.771 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -4.686 -7.062 13.631 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -5.385 -8.420 14.543 1.00 0.00 H new ATOM 1007 N THR A 69 -8.479 -8.506 12.217 1.00 0.00 N ATOM 1008 CA THR A 69 -9.545 -9.461 11.948 1.00 0.00 C ATOM 1009 C THR A 69 -9.253 -10.165 10.621 1.00 0.00 C ATOM 1010 O THR A 69 -8.883 -9.513 9.648 1.00 0.00 O ATOM 1011 CB THR A 69 -10.898 -8.732 11.906 1.00 0.00 C ATOM 1012 OG1 THR A 69 -10.882 -7.698 10.943 1.00 0.00 O ATOM 1013 CG2 THR A 69 -11.268 -8.135 13.269 1.00 0.00 C ATOM 0 H THR A 69 -8.194 -7.988 11.386 1.00 0.00 H new ATOM 0 HA THR A 69 -9.593 -10.208 12.740 1.00 0.00 H new ATOM 0 HB THR A 69 -11.646 -9.477 11.636 1.00 0.00 H new ATOM 0 HG1 THR A 69 -9.988 -7.299 10.906 1.00 0.00 H new ATOM 0 HG21 THR A 69 -12.231 -7.629 13.195 1.00 0.00 H new ATOM 0 HG22 THR A 69 -11.333 -8.932 14.010 1.00 0.00 H new ATOM 0 HG23 THR A 69 -10.504 -7.419 13.572 1.00 0.00 H new ATOM 1021 N LEU A 70 -9.408 -11.494 10.576 1.00 0.00 N ATOM 1022 CA LEU A 70 -9.108 -12.282 9.387 1.00 0.00 C ATOM 1023 C LEU A 70 -10.120 -11.984 8.281 1.00 0.00 C ATOM 1024 O LEU A 70 -11.324 -11.990 8.532 1.00 0.00 O ATOM 1025 CB LEU A 70 -9.128 -13.784 9.713 1.00 0.00 C ATOM 1026 CG LEU A 70 -8.209 -14.203 10.870 1.00 0.00 C ATOM 1027 CD1 LEU A 70 -8.265 -15.725 11.042 1.00 0.00 C ATOM 1028 CD2 LEU A 70 -6.756 -13.776 10.633 1.00 0.00 C ATOM 0 H LEU A 70 -9.745 -12.047 11.364 1.00 0.00 H new ATOM 0 HA LEU A 70 -8.111 -12.008 9.043 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -10.150 -14.076 9.955 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -8.841 -14.339 8.820 1.00 0.00 H new ATOM 0 HG LEU A 70 -8.563 -13.703 11.771 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -7.613 -16.023 11.863 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -9.288 -16.029 11.263 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -7.934 -16.208 10.122 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -6.142 -14.093 11.476 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -6.385 -14.240 9.719 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -6.707 -12.691 10.535 1.00 0.00 H new ATOM 1040 N SER A 71 -9.626 -11.743 7.060 1.00 0.00 N ATOM 1041 CA SER A 71 -10.442 -11.602 5.860 1.00 0.00 C ATOM 1042 C SER A 71 -10.449 -12.944 5.129 1.00 0.00 C ATOM 1043 O SER A 71 -11.509 -13.474 4.802 1.00 0.00 O ATOM 1044 CB SER A 71 -9.902 -10.485 4.954 1.00 0.00 C ATOM 1045 OG SER A 71 -9.326 -9.446 5.715 1.00 0.00 O ATOM 0 H SER A 71 -8.627 -11.639 6.881 1.00 0.00 H new ATOM 0 HA SER A 71 -11.459 -11.324 6.135 1.00 0.00 H new ATOM 0 HB2 SER A 71 -9.158 -10.895 4.271 1.00 0.00 H new ATOM 0 HB3 SER A 71 -10.711 -10.086 4.342 1.00 0.00 H new ATOM 0 HG SER A 71 -8.452 -9.734 6.053 1.00 0.00 H new ATOM 1051 N ASP A 72 -9.248 -13.486 4.889 1.00 0.00 N ATOM 1052 CA ASP A 72 -9.015 -14.786 4.278 1.00 0.00 C ATOM 1053 C ASP A 72 -7.593 -15.241 4.611 1.00 0.00 C ATOM 1054 O ASP A 72 -7.361 -16.469 4.574 1.00 0.00 O ATOM 1055 CB ASP A 72 -9.242 -14.728 2.761 1.00 0.00 C ATOM 1056 CG ASP A 72 -8.402 -13.650 2.077 1.00 0.00 C ATOM 1057 OD1 ASP A 72 -7.199 -13.908 1.855 1.00 0.00 O ATOM 1058 OD2 ASP A 72 -8.984 -12.582 1.785 1.00 0.00 O ATOM 1059 OXT ASP A 72 -6.760 -14.354 4.894 1.00 0.00 O ATOM 0 H ASP A 72 -8.381 -13.005 5.128 1.00 0.00 H new ATOM 0 HA ASP A 72 -9.725 -15.510 4.679 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -9.004 -15.698 2.325 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -10.297 -14.540 2.563 1.00 0.00 H new TER 1064 ASP A 72