USER MOD reduce.3.24.130724 H: found=0, std=0, add=624, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 623 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 TYR OH : rot -30:sc= -0.348 USER MOD Set 1.2: A 29 THR OG1 : rot -65:sc= 1.06 USER MOD Set 1.3: A 57 THR OG1 : rot 180:sc= 0.506 USER MOD Set 1.4: A 64 SER OG : rot -115:sc= -2.89! USER MOD Single : A 1 MET CE :methyl -128:sc= -4.93 (180deg=-13.1!) USER MOD Single : A 1 MET N :NH3+ -132:sc= 0.883 (180deg=-0.0623) USER MOD Single : A 4 LYS NZ :NH3+ -112:sc= -1.58 (180deg=-5.51!) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 ASN : amide:sc= -1.03! C(o=-1!,f=-9.9!) USER MOD Single : A 15 ASN : amide:sc= -0.0327 X(o=-0.033,f=-0.027) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 84:sc= 0.0593 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= -0.0671 X(o=-0.067,f=0) USER MOD Single : A 37 ASN : amide:sc= -2.45 K(o=-2.4,f=-3.8!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 MET CE :methyl 156:sc= -0.43 (180deg=-0.545) USER MOD Single : A 44 ASN : amide:sc= -1.38 K(o=-1.4,f=-0.086) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.091) USER MOD Single : A 67 TYR OH : rot -118:sc= 0.332 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 MET CE :methyl -117:sc= 0 (180deg=-1.33) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -12.377 -10.567 8.580 1.00 0.00 N ATOM 2 CA MET A 1 -10.931 -10.700 8.620 1.00 0.00 C ATOM 3 C MET A 1 -10.371 -10.195 9.952 1.00 0.00 C ATOM 4 O MET A 1 -11.117 -9.705 10.797 1.00 0.00 O ATOM 5 CB MET A 1 -10.311 -9.903 7.471 1.00 0.00 C ATOM 6 CG MET A 1 -10.581 -8.406 7.634 1.00 0.00 C ATOM 7 SD MET A 1 -12.025 -7.939 6.694 1.00 0.00 S ATOM 8 CE MET A 1 -12.085 -6.194 7.065 1.00 0.00 C ATOM 0 H1 MET A 1 -12.799 -11.458 8.248 1.00 0.00 H new ATOM 0 H2 MET A 1 -12.732 -10.349 9.533 1.00 0.00 H new ATOM 0 H3 MET A 1 -12.637 -9.798 7.930 1.00 0.00 H new ATOM 0 HA MET A 1 -10.680 -11.756 8.517 1.00 0.00 H new ATOM 0 HB2 MET A 1 -9.236 -10.081 7.439 1.00 0.00 H new ATOM 0 HB3 MET A 1 -10.720 -10.249 6.522 1.00 0.00 H new ATOM 0 HG2 MET A 1 -10.730 -8.168 8.687 1.00 0.00 H new ATOM 0 HG3 MET A 1 -9.717 -7.834 7.297 1.00 0.00 H new ATOM 0 HE1 MET A 1 -13.081 -5.932 7.422 1.00 0.00 H new ATOM 0 HE2 MET A 1 -11.350 -5.960 7.835 1.00 0.00 H new ATOM 0 HE3 MET A 1 -11.861 -5.623 6.164 1.00 0.00 H new ATOM 18 N ASP A 2 -9.061 -10.333 10.096 1.00 0.00 N ATOM 19 CA ASP A 2 -8.392 -9.897 11.310 1.00 0.00 C ATOM 20 C ASP A 2 -7.362 -8.821 10.961 1.00 0.00 C ATOM 21 O ASP A 2 -6.553 -9.002 10.053 1.00 0.00 O ATOM 22 CB ASP A 2 -7.654 -11.058 11.980 1.00 0.00 C ATOM 23 CG ASP A 2 -8.260 -11.532 13.303 1.00 0.00 C ATOM 24 OD1 ASP A 2 -9.304 -10.960 13.686 1.00 0.00 O ATOM 25 OD2 ASP A 2 -7.666 -12.455 13.901 1.00 0.00 O ATOM 0 H ASP A 2 -8.445 -10.740 9.392 1.00 0.00 H new ATOM 0 HA ASP A 2 -9.149 -9.510 11.992 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -7.627 -11.900 11.288 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -6.621 -10.758 12.157 1.00 0.00 H new ATOM 30 N ILE A 3 -7.425 -7.724 11.702 1.00 0.00 N ATOM 31 CA ILE A 3 -6.508 -6.619 11.483 1.00 0.00 C ATOM 32 C ILE A 3 -5.631 -6.435 12.723 1.00 0.00 C ATOM 33 O ILE A 3 -6.116 -6.529 13.850 1.00 0.00 O ATOM 34 CB ILE A 3 -7.275 -5.358 11.079 1.00 0.00 C ATOM 35 CG1 ILE A 3 -8.027 -5.571 9.764 1.00 0.00 C ATOM 36 CG2 ILE A 3 -6.343 -4.146 11.017 1.00 0.00 C ATOM 37 CD1 ILE A 3 -8.711 -4.280 9.308 1.00 0.00 C ATOM 0 H ILE A 3 -8.097 -7.577 12.455 1.00 0.00 H new ATOM 0 HA ILE A 3 -5.840 -6.838 10.650 1.00 0.00 H new ATOM 0 HB ILE A 3 -8.021 -5.151 11.846 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -7.333 -5.910 8.995 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -8.772 -6.357 9.890 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -6.913 -3.263 10.728 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -5.893 -3.983 11.996 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -5.558 -4.328 10.283 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -9.238 -4.459 8.371 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -9.422 -3.957 10.068 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -7.961 -3.504 9.159 1.00 0.00 H new ATOM 49 N LYS A 4 -4.356 -6.176 12.474 1.00 0.00 N ATOM 50 CA LYS A 4 -3.408 -5.978 13.557 1.00 0.00 C ATOM 51 C LYS A 4 -2.625 -4.685 13.314 1.00 0.00 C ATOM 52 O LYS A 4 -1.816 -4.610 12.391 1.00 0.00 O ATOM 53 CB LYS A 4 -2.519 -7.212 13.724 1.00 0.00 C ATOM 54 CG LYS A 4 -1.239 -7.082 12.897 1.00 0.00 C ATOM 55 CD LYS A 4 -0.448 -8.392 12.902 1.00 0.00 C ATOM 56 CE LYS A 4 -1.287 -9.542 12.341 1.00 0.00 C ATOM 57 NZ LYS A 4 -0.415 -10.573 11.736 1.00 0.00 N ATOM 0 H LYS A 4 -3.957 -6.099 11.538 1.00 0.00 H new ATOM 0 HA LYS A 4 -3.933 -5.861 14.505 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -2.265 -7.342 14.776 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -3.066 -8.103 13.416 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -1.490 -6.808 11.872 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -0.622 -6.279 13.299 1.00 0.00 H new ATOM 0 HD2 LYS A 4 0.459 -8.276 12.308 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -0.135 -8.628 13.919 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -1.886 -9.985 13.137 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -1.983 -9.161 11.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -0.557 -10.586 10.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 0.580 -10.353 11.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -0.654 -11.505 12.131 1.00 0.00 H new ATOM 71 N ILE A 5 -2.894 -3.701 14.159 1.00 0.00 N ATOM 72 CA ILE A 5 -2.225 -2.416 14.048 1.00 0.00 C ATOM 73 C ILE A 5 -0.721 -2.609 14.253 1.00 0.00 C ATOM 74 O ILE A 5 -0.279 -2.949 15.349 1.00 0.00 O ATOM 75 CB ILE A 5 -2.851 -1.401 15.007 1.00 0.00 C ATOM 76 CG1 ILE A 5 -4.303 -1.108 14.623 1.00 0.00 C ATOM 77 CG2 ILE A 5 -2.009 -0.126 15.082 1.00 0.00 C ATOM 78 CD1 ILE A 5 -5.193 -1.027 15.866 1.00 0.00 C ATOM 0 H ILE A 5 -3.566 -3.768 14.923 1.00 0.00 H new ATOM 0 HA ILE A 5 -2.360 -2.002 13.049 1.00 0.00 H new ATOM 0 HB ILE A 5 -2.864 -1.837 16.006 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -4.355 -0.169 14.072 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -4.672 -1.889 13.958 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -2.476 0.579 15.770 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -1.008 -0.371 15.438 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -1.942 0.325 14.092 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -6.220 -0.818 15.565 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -5.158 -1.976 16.401 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -4.836 -0.229 16.518 1.00 0.00 H new ATOM 90 N ILE A 6 0.023 -2.384 13.180 1.00 0.00 N ATOM 91 CA ILE A 6 1.468 -2.529 13.229 1.00 0.00 C ATOM 92 C ILE A 6 2.070 -1.344 13.987 1.00 0.00 C ATOM 93 O ILE A 6 2.571 -1.504 15.099 1.00 0.00 O ATOM 94 CB ILE A 6 2.036 -2.709 11.820 1.00 0.00 C ATOM 95 CG1 ILE A 6 1.594 -4.045 11.217 1.00 0.00 C ATOM 96 CG2 ILE A 6 3.558 -2.556 11.818 1.00 0.00 C ATOM 97 CD1 ILE A 6 2.563 -5.166 11.598 1.00 0.00 C ATOM 0 H ILE A 6 -0.347 -2.103 12.272 1.00 0.00 H new ATOM 0 HA ILE A 6 1.742 -3.431 13.777 1.00 0.00 H new ATOM 0 HB ILE A 6 1.632 -1.920 11.186 1.00 0.00 H new ATOM 0 HG12 ILE A 6 0.591 -4.292 11.566 1.00 0.00 H new ATOM 0 HG13 ILE A 6 1.541 -3.958 10.132 1.00 0.00 H new ATOM 0 HG21 ILE A 6 3.936 -2.689 10.804 1.00 0.00 H new ATOM 0 HG22 ILE A 6 3.824 -1.562 12.177 1.00 0.00 H new ATOM 0 HG23 ILE A 6 4.000 -3.308 12.471 1.00 0.00 H new ATOM 0 HD11 ILE A 6 2.226 -6.104 11.157 1.00 0.00 H new ATOM 0 HD12 ILE A 6 3.559 -4.928 11.226 1.00 0.00 H new ATOM 0 HD13 ILE A 6 2.595 -5.266 12.683 1.00 0.00 H new ATOM 109 N LYS A 7 2.001 -0.181 13.355 1.00 0.00 N ATOM 110 CA LYS A 7 2.533 1.030 13.956 1.00 0.00 C ATOM 111 C LYS A 7 1.687 2.226 13.517 1.00 0.00 C ATOM 112 O LYS A 7 1.015 2.172 12.488 1.00 0.00 O ATOM 113 CB LYS A 7 4.022 1.178 13.635 1.00 0.00 C ATOM 114 CG LYS A 7 4.885 0.600 14.758 1.00 0.00 C ATOM 115 CD LYS A 7 6.373 0.791 14.459 1.00 0.00 C ATOM 116 CE LYS A 7 7.131 1.242 15.709 1.00 0.00 C ATOM 117 NZ LYS A 7 8.186 0.265 16.057 1.00 0.00 N ATOM 0 H LYS A 7 1.585 -0.052 12.433 1.00 0.00 H new ATOM 0 HA LYS A 7 2.469 0.976 15.043 1.00 0.00 H new ATOM 0 HB2 LYS A 7 4.248 0.668 12.699 1.00 0.00 H new ATOM 0 HB3 LYS A 7 4.264 2.231 13.491 1.00 0.00 H new ATOM 0 HG2 LYS A 7 4.635 1.086 15.701 1.00 0.00 H new ATOM 0 HG3 LYS A 7 4.668 -0.461 14.879 1.00 0.00 H new ATOM 0 HD2 LYS A 7 6.796 -0.143 14.090 1.00 0.00 H new ATOM 0 HD3 LYS A 7 6.496 1.531 13.668 1.00 0.00 H new ATOM 0 HE2 LYS A 7 7.577 2.222 15.537 1.00 0.00 H new ATOM 0 HE3 LYS A 7 6.437 1.349 16.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 8.690 0.587 16.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 7.753 -0.662 16.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 8.857 0.183 15.267 1.00 0.00 H new ATOM 131 N ASP A 8 1.747 3.279 14.318 1.00 0.00 N ATOM 132 CA ASP A 8 0.994 4.487 14.025 1.00 0.00 C ATOM 133 C ASP A 8 1.949 5.682 13.992 1.00 0.00 C ATOM 134 O ASP A 8 2.529 6.046 15.014 1.00 0.00 O ATOM 135 CB ASP A 8 -0.060 4.754 15.101 1.00 0.00 C ATOM 136 CG ASP A 8 -0.464 6.221 15.261 1.00 0.00 C ATOM 137 OD1 ASP A 8 0.428 7.020 15.619 1.00 0.00 O ATOM 138 OD2 ASP A 8 -1.656 6.511 15.021 1.00 0.00 O ATOM 0 H ASP A 8 2.306 3.321 15.170 1.00 0.00 H new ATOM 0 HA ASP A 8 0.500 4.352 13.063 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -0.951 4.171 14.868 1.00 0.00 H new ATOM 0 HB3 ASP A 8 0.318 4.391 16.057 1.00 0.00 H new ATOM 143 N LYS A 9 2.082 6.261 12.807 1.00 0.00 N ATOM 144 CA LYS A 9 2.956 7.407 12.628 1.00 0.00 C ATOM 145 C LYS A 9 2.109 8.676 12.515 1.00 0.00 C ATOM 146 O LYS A 9 1.064 8.673 11.867 1.00 0.00 O ATOM 147 CB LYS A 9 3.894 7.185 11.439 1.00 0.00 C ATOM 148 CG LYS A 9 4.453 8.514 10.927 1.00 0.00 C ATOM 149 CD LYS A 9 5.919 8.370 10.515 1.00 0.00 C ATOM 150 CE LYS A 9 6.188 9.082 9.188 1.00 0.00 C ATOM 151 NZ LYS A 9 7.578 8.837 8.740 1.00 0.00 N ATOM 0 H LYS A 9 1.599 5.957 11.962 1.00 0.00 H new ATOM 0 HA LYS A 9 3.603 7.532 13.496 1.00 0.00 H new ATOM 0 HB2 LYS A 9 4.714 6.531 11.735 1.00 0.00 H new ATOM 0 HB3 LYS A 9 3.357 6.679 10.637 1.00 0.00 H new ATOM 0 HG2 LYS A 9 3.864 8.856 10.076 1.00 0.00 H new ATOM 0 HG3 LYS A 9 4.363 9.274 11.703 1.00 0.00 H new ATOM 0 HD2 LYS A 9 6.561 8.786 11.292 1.00 0.00 H new ATOM 0 HD3 LYS A 9 6.173 7.314 10.423 1.00 0.00 H new ATOM 0 HE2 LYS A 9 5.488 8.729 8.431 1.00 0.00 H new ATOM 0 HE3 LYS A 9 6.020 10.153 9.303 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 7.744 9.327 7.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 8.242 9.195 9.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 7.726 7.816 8.611 1.00 0.00 H new ATOM 165 N LYS A 10 2.593 9.731 13.155 1.00 0.00 N ATOM 166 CA LYS A 10 1.893 11.004 13.135 1.00 0.00 C ATOM 167 C LYS A 10 2.609 11.959 12.178 1.00 0.00 C ATOM 168 O LYS A 10 3.833 12.071 12.208 1.00 0.00 O ATOM 169 CB LYS A 10 1.741 11.555 14.554 1.00 0.00 C ATOM 170 CG LYS A 10 0.732 12.704 14.591 1.00 0.00 C ATOM 171 CD LYS A 10 1.058 13.684 15.720 1.00 0.00 C ATOM 172 CE LYS A 10 0.159 13.441 16.934 1.00 0.00 C ATOM 173 NZ LYS A 10 0.965 13.004 18.096 1.00 0.00 N ATOM 0 H LYS A 10 3.461 9.730 13.690 1.00 0.00 H new ATOM 0 HA LYS A 10 0.878 10.875 12.758 1.00 0.00 H new ATOM 0 HB2 LYS A 10 1.416 10.759 15.224 1.00 0.00 H new ATOM 0 HB3 LYS A 10 2.708 11.903 14.918 1.00 0.00 H new ATOM 0 HG2 LYS A 10 0.738 13.229 13.636 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -0.273 12.306 14.729 1.00 0.00 H new ATOM 0 HD2 LYS A 10 2.103 13.576 16.010 1.00 0.00 H new ATOM 0 HD3 LYS A 10 0.929 14.707 15.367 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -0.382 14.354 17.182 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -0.587 12.683 16.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 0.340 12.843 18.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 1.462 12.121 17.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 1.660 13.740 18.333 1.00 0.00 H new ATOM 187 N ASN A 11 1.814 12.623 11.351 1.00 0.00 N ATOM 188 CA ASN A 11 2.357 13.565 10.387 1.00 0.00 C ATOM 189 C ASN A 11 1.415 14.765 10.266 1.00 0.00 C ATOM 190 O ASN A 11 0.552 14.795 9.391 1.00 0.00 O ATOM 191 CB ASN A 11 2.486 12.924 9.003 1.00 0.00 C ATOM 192 CG ASN A 11 3.017 13.930 7.980 1.00 0.00 C ATOM 193 OD1 ASN A 11 2.520 15.036 7.843 1.00 0.00 O ATOM 194 ND2 ASN A 11 4.052 13.487 7.273 1.00 0.00 N ATOM 0 H ASN A 11 0.799 12.527 11.329 1.00 0.00 H new ATOM 0 HA ASN A 11 3.343 13.873 10.735 1.00 0.00 H new ATOM 0 HB2 ASN A 11 3.156 12.066 9.057 1.00 0.00 H new ATOM 0 HB3 ASN A 11 1.515 12.550 8.680 1.00 0.00 H new ATOM 0 HD21 ASN A 11 4.479 14.084 6.565 1.00 0.00 H new ATOM 0 HD22 ASN A 11 4.419 12.550 7.438 1.00 0.00 H new ATOM 201 N PRO A 12 1.618 15.749 11.183 1.00 0.00 N ATOM 202 CA PRO A 12 0.797 16.948 11.188 1.00 0.00 C ATOM 203 C PRO A 12 1.188 17.885 10.043 1.00 0.00 C ATOM 204 O PRO A 12 0.443 18.803 9.706 1.00 0.00 O ATOM 205 CB PRO A 12 1.010 17.565 12.560 1.00 0.00 C ATOM 206 CG PRO A 12 2.291 16.950 13.099 1.00 0.00 C ATOM 207 CD PRO A 12 2.631 15.747 12.234 1.00 0.00 C ATOM 0 HA PRO A 12 -0.259 16.736 11.022 1.00 0.00 H new ATOM 0 HB2 PRO A 12 1.096 18.649 12.491 1.00 0.00 H new ATOM 0 HB3 PRO A 12 0.168 17.353 13.219 1.00 0.00 H new ATOM 0 HG2 PRO A 12 3.102 17.678 13.077 1.00 0.00 H new ATOM 0 HG3 PRO A 12 2.162 16.648 14.138 1.00 0.00 H new ATOM 0 HD2 PRO A 12 3.635 15.830 11.817 1.00 0.00 H new ATOM 0 HD3 PRO A 12 2.601 14.823 12.811 1.00 0.00 H new ATOM 215 N LEU A 13 2.356 17.620 9.477 1.00 0.00 N ATOM 216 CA LEU A 13 2.856 18.428 8.378 1.00 0.00 C ATOM 217 C LEU A 13 1.883 18.337 7.200 1.00 0.00 C ATOM 218 O LEU A 13 1.380 19.354 6.726 1.00 0.00 O ATOM 219 CB LEU A 13 4.289 18.026 8.024 1.00 0.00 C ATOM 220 CG LEU A 13 5.282 17.991 9.188 1.00 0.00 C ATOM 221 CD1 LEU A 13 6.661 17.525 8.717 1.00 0.00 C ATOM 222 CD2 LEU A 13 5.345 19.346 9.895 1.00 0.00 C ATOM 0 H LEU A 13 2.971 16.857 9.759 1.00 0.00 H new ATOM 0 HA LEU A 13 2.908 19.477 8.670 1.00 0.00 H new ATOM 0 HB2 LEU A 13 4.265 17.039 7.563 1.00 0.00 H new ATOM 0 HB3 LEU A 13 4.665 18.720 7.272 1.00 0.00 H new ATOM 0 HG LEU A 13 4.928 17.263 9.918 1.00 0.00 H new ATOM 0 HD11 LEU A 13 7.348 17.509 9.563 1.00 0.00 H new ATOM 0 HD12 LEU A 13 6.582 16.523 8.295 1.00 0.00 H new ATOM 0 HD13 LEU A 13 7.037 18.210 7.957 1.00 0.00 H new ATOM 0 HD21 LEU A 13 6.058 19.294 10.718 1.00 0.00 H new ATOM 0 HD22 LEU A 13 5.663 20.111 9.187 1.00 0.00 H new ATOM 0 HD23 LEU A 13 4.359 19.599 10.284 1.00 0.00 H new ATOM 234 N LEU A 14 1.648 17.108 6.763 1.00 0.00 N ATOM 235 CA LEU A 14 0.744 16.870 5.650 1.00 0.00 C ATOM 236 C LEU A 14 -0.690 16.775 6.174 1.00 0.00 C ATOM 237 O LEU A 14 -1.621 16.534 5.407 1.00 0.00 O ATOM 238 CB LEU A 14 1.190 15.644 4.851 1.00 0.00 C ATOM 239 CG LEU A 14 2.685 15.553 4.540 1.00 0.00 C ATOM 240 CD1 LEU A 14 3.080 14.124 4.164 1.00 0.00 C ATOM 241 CD2 LEU A 14 3.083 16.561 3.461 1.00 0.00 C ATOM 0 H LEU A 14 2.068 16.267 7.159 1.00 0.00 H new ATOM 0 HA LEU A 14 0.773 17.705 4.950 1.00 0.00 H new ATOM 0 HB2 LEU A 14 0.899 14.750 5.403 1.00 0.00 H new ATOM 0 HB3 LEU A 14 0.642 15.630 3.909 1.00 0.00 H new ATOM 0 HG LEU A 14 3.238 15.813 5.442 1.00 0.00 H new ATOM 0 HD11 LEU A 14 4.148 14.087 3.948 1.00 0.00 H new ATOM 0 HD12 LEU A 14 2.854 13.454 4.993 1.00 0.00 H new ATOM 0 HD13 LEU A 14 2.520 13.812 3.283 1.00 0.00 H new ATOM 0 HD21 LEU A 14 4.151 16.475 3.259 1.00 0.00 H new ATOM 0 HD22 LEU A 14 2.523 16.357 2.548 1.00 0.00 H new ATOM 0 HD23 LEU A 14 2.859 17.570 3.806 1.00 0.00 H new ATOM 253 N ASN A 15 -0.824 16.969 7.478 1.00 0.00 N ATOM 254 CA ASN A 15 -2.129 16.908 8.114 1.00 0.00 C ATOM 255 C ASN A 15 -2.747 15.530 7.868 1.00 0.00 C ATOM 256 O ASN A 15 -3.925 15.426 7.530 1.00 0.00 O ATOM 257 CB ASN A 15 -3.074 17.961 7.533 1.00 0.00 C ATOM 258 CG ASN A 15 -2.902 19.304 8.245 1.00 0.00 C ATOM 259 OD1 ASN A 15 -2.360 20.256 7.707 1.00 0.00 O ATOM 260 ND2 ASN A 15 -3.393 19.329 9.481 1.00 0.00 N ATOM 0 H ASN A 15 -0.050 17.169 8.112 1.00 0.00 H new ATOM 0 HA ASN A 15 -1.994 17.093 9.180 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -2.878 18.082 6.468 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -4.106 17.623 7.631 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -3.328 20.181 10.038 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -3.835 18.496 9.871 1.00 0.00 H new ATOM 267 N ARG A 16 -1.924 14.507 8.048 1.00 0.00 N ATOM 268 CA ARG A 16 -2.376 13.140 7.850 1.00 0.00 C ATOM 269 C ARG A 16 -1.803 12.229 8.938 1.00 0.00 C ATOM 270 O ARG A 16 -1.240 12.708 9.921 1.00 0.00 O ATOM 271 CB ARG A 16 -1.952 12.613 6.478 1.00 0.00 C ATOM 272 CG ARG A 16 -0.447 12.343 6.435 1.00 0.00 C ATOM 273 CD ARG A 16 0.003 11.966 5.022 1.00 0.00 C ATOM 274 NE ARG A 16 1.362 11.381 5.062 1.00 0.00 N ATOM 275 CZ ARG A 16 2.077 11.066 3.974 1.00 0.00 C ATOM 276 NH1 ARG A 16 1.567 11.278 2.753 1.00 0.00 N ATOM 277 NH2 ARG A 16 3.302 10.539 4.106 1.00 0.00 N ATOM 0 H ARG A 16 -0.948 14.597 8.329 1.00 0.00 H new ATOM 0 HA ARG A 16 -3.465 13.139 7.906 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -2.496 11.696 6.253 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -2.217 13.338 5.708 1.00 0.00 H new ATOM 0 HG2 ARG A 16 0.094 13.228 6.769 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -0.199 11.538 7.126 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -0.696 11.252 4.587 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -0.003 12.848 4.382 1.00 0.00 H new ATOM 0 HE ARG A 16 1.780 11.207 5.976 1.00 0.00 H new ATOM 0 HH11 ARG A 16 0.635 11.679 2.652 1.00 0.00 H new ATOM 0 HH12 ARG A 16 2.111 11.038 1.924 1.00 0.00 H new ATOM 0 HH21 ARG A 16 3.690 10.378 5.035 1.00 0.00 H new ATOM 0 HH22 ARG A 16 3.846 10.299 3.277 1.00 0.00 H new ATOM 291 N ARG A 17 -1.965 10.931 8.724 1.00 0.00 N ATOM 292 CA ARG A 17 -1.471 9.949 9.674 1.00 0.00 C ATOM 293 C ARG A 17 -1.178 8.626 8.964 1.00 0.00 C ATOM 294 O ARG A 17 -2.053 8.061 8.309 1.00 0.00 O ATOM 295 CB ARG A 17 -2.486 9.706 10.793 1.00 0.00 C ATOM 296 CG ARG A 17 -1.820 9.805 12.167 1.00 0.00 C ATOM 297 CD ARG A 17 -2.129 8.570 13.016 1.00 0.00 C ATOM 298 NE ARG A 17 -2.772 8.976 14.285 1.00 0.00 N ATOM 299 CZ ARG A 17 -2.103 9.416 15.360 1.00 0.00 C ATOM 300 NH1 ARG A 17 -0.767 9.510 15.325 1.00 0.00 N ATOM 301 NH2 ARG A 17 -2.770 9.763 16.469 1.00 0.00 N ATOM 0 H ARG A 17 -2.431 10.537 7.907 1.00 0.00 H new ATOM 0 HA ARG A 17 -0.553 10.342 10.111 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -3.293 10.436 10.722 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -2.936 8.721 10.673 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -0.742 9.907 12.046 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -2.169 10.701 12.681 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -2.785 7.895 12.466 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -1.210 8.022 13.224 1.00 0.00 H new ATOM 0 HE ARG A 17 -3.789 8.917 14.346 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -0.259 9.247 14.480 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -0.258 9.845 16.143 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -3.787 9.692 16.495 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -2.261 10.098 17.287 1.00 0.00 H new ATOM 315 N GLU A 18 0.056 8.169 9.118 1.00 0.00 N ATOM 316 CA GLU A 18 0.476 6.923 8.500 1.00 0.00 C ATOM 317 C GLU A 18 0.329 5.764 9.489 1.00 0.00 C ATOM 318 O GLU A 18 1.070 5.682 10.468 1.00 0.00 O ATOM 319 CB GLU A 18 1.912 7.023 7.983 1.00 0.00 C ATOM 320 CG GLU A 18 2.108 8.295 7.155 1.00 0.00 C ATOM 321 CD GLU A 18 2.008 7.995 5.658 1.00 0.00 C ATOM 322 OE1 GLU A 18 0.884 7.673 5.217 1.00 0.00 O ATOM 323 OE2 GLU A 18 3.059 8.095 4.988 1.00 0.00 O ATOM 0 H GLU A 18 0.779 8.640 9.662 1.00 0.00 H new ATOM 0 HA GLU A 18 -0.170 6.729 7.644 1.00 0.00 H new ATOM 0 HB2 GLU A 18 2.606 7.021 8.823 1.00 0.00 H new ATOM 0 HB3 GLU A 18 2.145 6.149 7.375 1.00 0.00 H new ATOM 0 HG2 GLU A 18 1.356 9.034 7.433 1.00 0.00 H new ATOM 0 HG3 GLU A 18 3.081 8.732 7.378 1.00 0.00 H new ATOM 330 N LEU A 19 -0.631 4.898 9.200 1.00 0.00 N ATOM 331 CA LEU A 19 -0.883 3.749 10.051 1.00 0.00 C ATOM 332 C LEU A 19 -0.607 2.466 9.264 1.00 0.00 C ATOM 333 O LEU A 19 -1.032 2.333 8.118 1.00 0.00 O ATOM 334 CB LEU A 19 -2.294 3.817 10.639 1.00 0.00 C ATOM 335 CG LEU A 19 -2.752 5.193 11.125 1.00 0.00 C ATOM 336 CD1 LEU A 19 -3.962 5.683 10.327 1.00 0.00 C ATOM 337 CD2 LEU A 19 -3.027 5.179 12.631 1.00 0.00 C ATOM 0 H LEU A 19 -1.244 4.970 8.388 1.00 0.00 H new ATOM 0 HA LEU A 19 -0.206 3.752 10.905 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -2.998 3.467 9.884 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -2.352 3.120 11.475 1.00 0.00 H new ATOM 0 HG LEU A 19 -1.943 5.903 10.951 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -4.267 6.663 10.693 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -3.697 5.756 9.272 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -4.786 4.979 10.446 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -3.351 6.169 12.951 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -3.809 4.452 12.851 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -2.117 4.905 13.165 1.00 0.00 H new ATOM 349 N ASP A 20 0.105 1.555 9.911 1.00 0.00 N ATOM 350 CA ASP A 20 0.444 0.287 9.286 1.00 0.00 C ATOM 351 C ASP A 20 -0.250 -0.849 10.040 1.00 0.00 C ATOM 352 O ASP A 20 -0.339 -0.822 11.267 1.00 0.00 O ATOM 353 CB ASP A 20 1.952 0.035 9.334 1.00 0.00 C ATOM 354 CG ASP A 20 2.808 1.104 8.651 1.00 0.00 C ATOM 355 OD1 ASP A 20 2.203 2.038 8.082 1.00 0.00 O ATOM 356 OD2 ASP A 20 4.048 0.963 8.714 1.00 0.00 O ATOM 0 H ASP A 20 0.457 1.669 10.862 1.00 0.00 H new ATOM 0 HA ASP A 20 0.118 0.325 8.247 1.00 0.00 H new ATOM 0 HB2 ASP A 20 2.259 -0.043 10.377 1.00 0.00 H new ATOM 0 HB3 ASP A 20 2.159 -0.928 8.867 1.00 0.00 H new ATOM 361 N PHE A 21 -0.722 -1.822 9.275 1.00 0.00 N ATOM 362 CA PHE A 21 -1.405 -2.966 9.855 1.00 0.00 C ATOM 363 C PHE A 21 -1.348 -4.173 8.916 1.00 0.00 C ATOM 364 O PHE A 21 -0.981 -4.039 7.750 1.00 0.00 O ATOM 365 CB PHE A 21 -2.866 -2.560 10.057 1.00 0.00 C ATOM 366 CG PHE A 21 -3.593 -2.189 8.763 1.00 0.00 C ATOM 367 CD1 PHE A 21 -3.556 -0.909 8.305 1.00 0.00 C ATOM 368 CD2 PHE A 21 -4.277 -3.139 8.071 1.00 0.00 C ATOM 369 CE1 PHE A 21 -4.231 -0.564 7.104 1.00 0.00 C ATOM 370 CE2 PHE A 21 -4.952 -2.794 6.870 1.00 0.00 C ATOM 371 CZ PHE A 21 -4.914 -1.514 6.412 1.00 0.00 C ATOM 0 H PHE A 21 -0.645 -1.842 8.258 1.00 0.00 H new ATOM 0 HA PHE A 21 -0.928 -3.247 10.794 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -3.398 -3.381 10.538 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -2.906 -1.712 10.740 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -3.013 -0.154 8.855 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -4.307 -4.156 8.435 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -4.202 0.453 6.741 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -5.496 -3.548 6.320 1.00 0.00 H new ATOM 0 HZ PHE A 21 -5.427 -1.252 5.498 1.00 0.00 H new ATOM 381 N ILE A 22 -1.717 -5.323 9.460 1.00 0.00 N ATOM 382 CA ILE A 22 -1.713 -6.552 8.685 1.00 0.00 C ATOM 383 C ILE A 22 -3.123 -7.146 8.671 1.00 0.00 C ATOM 384 O ILE A 22 -3.778 -7.224 9.709 1.00 0.00 O ATOM 385 CB ILE A 22 -0.646 -7.514 9.212 1.00 0.00 C ATOM 386 CG1 ILE A 22 0.724 -6.834 9.271 1.00 0.00 C ATOM 387 CG2 ILE A 22 -0.612 -8.801 8.386 1.00 0.00 C ATOM 388 CD1 ILE A 22 1.235 -6.509 7.866 1.00 0.00 C ATOM 0 H ILE A 22 -2.021 -5.430 10.428 1.00 0.00 H new ATOM 0 HA ILE A 22 -1.442 -6.348 7.649 1.00 0.00 H new ATOM 0 HB ILE A 22 -0.911 -7.793 10.232 1.00 0.00 H new ATOM 0 HG12 ILE A 22 0.654 -5.918 9.858 1.00 0.00 H new ATOM 0 HG13 ILE A 22 1.436 -7.485 9.779 1.00 0.00 H new ATOM 0 HG21 ILE A 22 0.155 -9.467 8.782 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -1.583 -9.293 8.439 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -0.383 -8.561 7.348 1.00 0.00 H new ATOM 0 HD11 ILE A 22 2.210 -6.026 7.936 1.00 0.00 H new ATOM 0 HD12 ILE A 22 1.326 -7.430 7.290 1.00 0.00 H new ATOM 0 HD13 ILE A 22 0.533 -5.839 7.370 1.00 0.00 H new ATOM 400 N VAL A 23 -3.548 -7.550 7.483 1.00 0.00 N ATOM 401 CA VAL A 23 -4.869 -8.134 7.320 1.00 0.00 C ATOM 402 C VAL A 23 -4.737 -9.653 7.192 1.00 0.00 C ATOM 403 O VAL A 23 -4.019 -10.146 6.323 1.00 0.00 O ATOM 404 CB VAL A 23 -5.581 -7.493 6.128 1.00 0.00 C ATOM 405 CG1 VAL A 23 -7.077 -7.815 6.145 1.00 0.00 C ATOM 406 CG2 VAL A 23 -5.346 -5.982 6.096 1.00 0.00 C ATOM 0 H VAL A 23 -3.001 -7.485 6.624 1.00 0.00 H new ATOM 0 HA VAL A 23 -5.486 -7.934 8.196 1.00 0.00 H new ATOM 0 HB VAL A 23 -5.157 -7.917 5.218 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -7.560 -7.347 5.287 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -7.217 -8.895 6.096 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -7.521 -7.433 7.064 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -5.863 -5.551 5.239 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -5.729 -5.535 7.013 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -4.278 -5.782 6.013 1.00 0.00 H new ATOM 416 N LYS A 24 -5.442 -10.353 8.069 1.00 0.00 N ATOM 417 CA LYS A 24 -5.412 -11.805 8.065 1.00 0.00 C ATOM 418 C LYS A 24 -6.841 -12.339 7.948 1.00 0.00 C ATOM 419 O LYS A 24 -7.785 -11.705 8.417 1.00 0.00 O ATOM 420 CB LYS A 24 -4.658 -12.330 9.288 1.00 0.00 C ATOM 421 CG LYS A 24 -3.167 -12.494 8.985 1.00 0.00 C ATOM 422 CD LYS A 24 -2.367 -12.715 10.270 1.00 0.00 C ATOM 423 CE LYS A 24 -0.972 -13.262 9.960 1.00 0.00 C ATOM 424 NZ LYS A 24 -0.883 -14.692 10.330 1.00 0.00 N ATOM 0 H LYS A 24 -6.038 -9.941 8.787 1.00 0.00 H new ATOM 0 HA LYS A 24 -4.861 -12.172 7.199 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -4.789 -11.642 10.123 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -5.078 -13.288 9.595 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -3.020 -13.338 8.311 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -2.797 -11.607 8.470 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -2.280 -11.775 10.815 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -2.899 -13.411 10.919 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -0.755 -13.140 8.899 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -0.221 -12.691 10.507 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 0.070 -15.048 10.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -1.070 -14.800 11.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -1.587 -15.235 9.790 1.00 0.00 H new ATOM 438 N TYR A 25 -6.956 -13.501 7.321 1.00 0.00 N ATOM 439 CA TYR A 25 -8.254 -14.127 7.136 1.00 0.00 C ATOM 440 C TYR A 25 -8.104 -15.544 6.578 1.00 0.00 C ATOM 441 O TYR A 25 -7.006 -15.956 6.207 1.00 0.00 O ATOM 442 CB TYR A 25 -8.997 -13.265 6.114 1.00 0.00 C ATOM 443 CG TYR A 25 -8.200 -12.988 4.838 1.00 0.00 C ATOM 444 CD1 TYR A 25 -7.269 -11.970 4.813 1.00 0.00 C ATOM 445 CD2 TYR A 25 -8.414 -13.756 3.711 1.00 0.00 C ATOM 446 CE1 TYR A 25 -6.519 -11.709 3.611 1.00 0.00 C ATOM 447 CE2 TYR A 25 -7.664 -13.495 2.509 1.00 0.00 C ATOM 448 CZ TYR A 25 -6.754 -12.485 2.519 1.00 0.00 C ATOM 449 OH TYR A 25 -6.046 -12.238 1.384 1.00 0.00 O ATOM 0 H TYR A 25 -6.171 -14.025 6.935 1.00 0.00 H new ATOM 0 HA TYR A 25 -8.784 -14.199 8.086 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -9.931 -13.760 5.847 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -9.261 -12.315 6.579 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -7.103 -11.369 5.695 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -9.143 -14.552 3.730 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -5.787 -10.916 3.578 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -7.821 -14.088 1.620 1.00 0.00 H new ATOM 0 HH TYR A 25 -5.820 -11.285 1.340 1.00 0.00 H new ATOM 459 N GLU A 26 -9.224 -16.251 6.537 1.00 0.00 N ATOM 460 CA GLU A 26 -9.232 -17.613 6.031 1.00 0.00 C ATOM 461 C GLU A 26 -10.383 -17.805 5.042 1.00 0.00 C ATOM 462 O GLU A 26 -11.493 -18.159 5.436 1.00 0.00 O ATOM 463 CB GLU A 26 -9.319 -18.623 7.176 1.00 0.00 C ATOM 464 CG GLU A 26 -7.936 -19.174 7.528 1.00 0.00 C ATOM 465 CD GLU A 26 -7.629 -18.979 9.014 1.00 0.00 C ATOM 466 OE1 GLU A 26 -8.485 -19.387 9.828 1.00 0.00 O ATOM 467 OE2 GLU A 26 -6.546 -18.427 9.302 1.00 0.00 O ATOM 0 H GLU A 26 -10.133 -15.906 6.846 1.00 0.00 H new ATOM 0 HA GLU A 26 -8.294 -17.790 5.505 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -9.759 -18.147 8.053 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -9.980 -19.443 6.893 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -7.889 -20.234 7.280 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -7.177 -18.672 6.928 1.00 0.00 H new ATOM 474 N GLY A 27 -10.079 -17.562 3.775 1.00 0.00 N ATOM 475 CA GLY A 27 -11.074 -17.704 2.726 1.00 0.00 C ATOM 476 C GLY A 27 -11.077 -16.483 1.804 1.00 0.00 C ATOM 477 O GLY A 27 -10.028 -15.902 1.534 1.00 0.00 O ATOM 0 H GLY A 27 -9.157 -17.268 3.452 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -10.869 -18.603 2.144 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -12.061 -17.831 3.171 1.00 0.00 H new ATOM 481 N SER A 28 -12.270 -16.130 1.347 1.00 0.00 N ATOM 482 CA SER A 28 -12.424 -14.988 0.462 1.00 0.00 C ATOM 483 C SER A 28 -11.591 -13.812 0.975 1.00 0.00 C ATOM 484 O SER A 28 -11.539 -13.561 2.178 1.00 0.00 O ATOM 485 CB SER A 28 -13.894 -14.583 0.336 1.00 0.00 C ATOM 486 OG SER A 28 -14.771 -15.685 0.547 1.00 0.00 O ATOM 0 H SER A 28 -13.139 -16.615 1.573 1.00 0.00 H new ATOM 0 HA SER A 28 -12.068 -15.272 -0.528 1.00 0.00 H new ATOM 0 HB2 SER A 28 -14.117 -13.798 1.059 1.00 0.00 H new ATOM 0 HB3 SER A 28 -14.071 -14.163 -0.654 1.00 0.00 H new ATOM 0 HG SER A 28 -14.919 -15.806 1.508 1.00 0.00 H new ATOM 492 N THR A 29 -10.959 -13.121 0.037 1.00 0.00 N ATOM 493 CA THR A 29 -10.131 -11.977 0.379 1.00 0.00 C ATOM 494 C THR A 29 -11.005 -10.758 0.682 1.00 0.00 C ATOM 495 O THR A 29 -11.997 -10.515 -0.003 1.00 0.00 O ATOM 496 CB THR A 29 -9.145 -11.748 -0.768 1.00 0.00 C ATOM 497 OG1 THR A 29 -8.137 -12.734 -0.561 1.00 0.00 O ATOM 498 CG2 THR A 29 -8.397 -10.419 -0.640 1.00 0.00 C ATOM 0 H THR A 29 -11.004 -13.332 -0.960 1.00 0.00 H new ATOM 0 HA THR A 29 -9.558 -12.161 1.288 1.00 0.00 H new ATOM 0 HB THR A 29 -9.680 -11.774 -1.717 1.00 0.00 H new ATOM 0 HG1 THR A 29 -7.661 -12.545 0.275 1.00 0.00 H new ATOM 0 HG21 THR A 29 -7.710 -10.306 -1.479 1.00 0.00 H new ATOM 0 HG22 THR A 29 -9.113 -9.597 -0.643 1.00 0.00 H new ATOM 0 HG23 THR A 29 -7.835 -10.406 0.294 1.00 0.00 H new ATOM 506 N PRO A 30 -10.593 -10.004 1.736 1.00 0.00 N ATOM 507 CA PRO A 30 -11.327 -8.816 2.138 1.00 0.00 C ATOM 508 C PRO A 30 -11.073 -7.661 1.168 1.00 0.00 C ATOM 509 O PRO A 30 -10.060 -7.641 0.472 1.00 0.00 O ATOM 510 CB PRO A 30 -10.852 -8.520 3.552 1.00 0.00 C ATOM 511 CG PRO A 30 -9.540 -9.270 3.716 1.00 0.00 C ATOM 512 CD PRO A 30 -9.423 -10.261 2.570 1.00 0.00 C ATOM 0 HA PRO A 30 -12.407 -8.961 2.117 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -10.711 -7.449 3.701 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -11.585 -8.850 4.288 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -8.700 -8.576 3.707 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -9.514 -9.789 4.674 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -8.499 -10.113 2.012 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -9.414 -11.288 2.934 1.00 0.00 H new ATOM 520 N SER A 31 -12.012 -6.726 1.154 1.00 0.00 N ATOM 521 CA SER A 31 -11.903 -5.569 0.281 1.00 0.00 C ATOM 522 C SER A 31 -11.369 -4.369 1.066 1.00 0.00 C ATOM 523 O SER A 31 -11.421 -4.354 2.294 1.00 0.00 O ATOM 524 CB SER A 31 -13.253 -5.230 -0.355 1.00 0.00 C ATOM 525 OG SER A 31 -13.117 -4.835 -1.717 1.00 0.00 O ATOM 0 H SER A 31 -12.851 -6.746 1.733 1.00 0.00 H new ATOM 0 HA SER A 31 -11.205 -5.810 -0.521 1.00 0.00 H new ATOM 0 HB2 SER A 31 -13.911 -6.097 -0.293 1.00 0.00 H new ATOM 0 HB3 SER A 31 -13.728 -4.428 0.209 1.00 0.00 H new ATOM 0 HG SER A 31 -14.000 -4.629 -2.088 1.00 0.00 H new ATOM 531 N ARG A 32 -10.869 -3.392 0.323 1.00 0.00 N ATOM 532 CA ARG A 32 -10.327 -2.191 0.935 1.00 0.00 C ATOM 533 C ARG A 32 -11.397 -1.495 1.778 1.00 0.00 C ATOM 534 O ARG A 32 -11.084 -0.865 2.787 1.00 0.00 O ATOM 535 CB ARG A 32 -9.811 -1.218 -0.127 1.00 0.00 C ATOM 536 CG ARG A 32 -8.468 -1.684 -0.693 1.00 0.00 C ATOM 537 CD ARG A 32 -8.224 -1.094 -2.084 1.00 0.00 C ATOM 538 NE ARG A 32 -7.355 0.099 -1.982 1.00 0.00 N ATOM 539 CZ ARG A 32 -7.165 0.977 -2.977 1.00 0.00 C ATOM 540 NH1 ARG A 32 -7.782 0.799 -4.153 1.00 0.00 N ATOM 541 NH2 ARG A 32 -6.359 2.031 -2.795 1.00 0.00 N ATOM 0 H ARG A 32 -10.828 -3.408 -0.696 1.00 0.00 H new ATOM 0 HA ARG A 32 -9.495 -2.490 1.573 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -10.540 -1.134 -0.933 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -9.701 -0.225 0.308 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -7.663 -1.386 -0.021 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -8.450 -2.772 -0.748 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -7.758 -1.840 -2.728 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -9.174 -0.824 -2.545 1.00 0.00 H new ATOM 0 HE ARG A 32 -6.870 0.264 -1.100 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -8.396 -0.004 -4.291 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -7.638 1.467 -4.911 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -5.890 2.166 -1.899 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -6.214 2.699 -3.552 1.00 0.00 H new ATOM 555 N ASN A 33 -12.637 -1.632 1.333 1.00 0.00 N ATOM 556 CA ASN A 33 -13.755 -1.024 2.035 1.00 0.00 C ATOM 557 C ASN A 33 -13.931 -1.706 3.393 1.00 0.00 C ATOM 558 O ASN A 33 -13.984 -1.038 4.425 1.00 0.00 O ATOM 559 CB ASN A 33 -15.057 -1.194 1.249 1.00 0.00 C ATOM 560 CG ASN A 33 -16.254 -0.689 2.055 1.00 0.00 C ATOM 561 OD1 ASN A 33 -16.520 0.499 2.143 1.00 0.00 O ATOM 562 ND2 ASN A 33 -16.961 -1.654 2.637 1.00 0.00 N ATOM 0 H ASN A 33 -12.893 -2.155 0.495 1.00 0.00 H new ATOM 0 HA ASN A 33 -13.541 0.038 2.154 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -14.992 -0.648 0.308 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -15.200 -2.245 0.999 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -17.780 -1.419 3.197 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -16.684 -2.629 2.523 1.00 0.00 H new ATOM 569 N ASP A 34 -14.016 -3.028 3.349 1.00 0.00 N ATOM 570 CA ASP A 34 -14.185 -3.807 4.564 1.00 0.00 C ATOM 571 C ASP A 34 -13.054 -3.475 5.539 1.00 0.00 C ATOM 572 O ASP A 34 -13.303 -3.177 6.706 1.00 0.00 O ATOM 573 CB ASP A 34 -14.129 -5.307 4.268 1.00 0.00 C ATOM 574 CG ASP A 34 -15.443 -5.919 3.778 1.00 0.00 C ATOM 575 OD1 ASP A 34 -16.500 -5.445 4.248 1.00 0.00 O ATOM 576 OD2 ASP A 34 -15.361 -6.848 2.946 1.00 0.00 O ATOM 0 H ASP A 34 -13.971 -3.579 2.492 1.00 0.00 H new ATOM 0 HA ASP A 34 -15.157 -3.559 4.991 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -13.360 -5.485 3.516 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -13.818 -5.829 5.173 1.00 0.00 H new ATOM 581 N VAL A 35 -11.835 -3.538 5.025 1.00 0.00 N ATOM 582 CA VAL A 35 -10.664 -3.248 5.836 1.00 0.00 C ATOM 583 C VAL A 35 -10.723 -1.793 6.305 1.00 0.00 C ATOM 584 O VAL A 35 -10.349 -1.486 7.436 1.00 0.00 O ATOM 585 CB VAL A 35 -9.391 -3.572 5.052 1.00 0.00 C ATOM 586 CG1 VAL A 35 -8.145 -3.131 5.823 1.00 0.00 C ATOM 587 CG2 VAL A 35 -9.324 -5.061 4.707 1.00 0.00 C ATOM 0 H VAL A 35 -11.632 -3.786 4.057 1.00 0.00 H new ATOM 0 HA VAL A 35 -10.650 -3.877 6.726 1.00 0.00 H new ATOM 0 HB VAL A 35 -9.422 -3.013 4.117 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -7.254 -3.373 5.244 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -8.185 -2.055 5.995 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -8.107 -3.650 6.781 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -8.410 -5.265 4.150 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -9.328 -5.648 5.626 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -10.187 -5.333 4.099 1.00 0.00 H new ATOM 597 N ARG A 36 -11.195 -0.935 5.412 1.00 0.00 N ATOM 598 CA ARG A 36 -11.307 0.481 5.721 1.00 0.00 C ATOM 599 C ARG A 36 -12.247 0.692 6.909 1.00 0.00 C ATOM 600 O ARG A 36 -11.881 1.341 7.888 1.00 0.00 O ATOM 601 CB ARG A 36 -11.831 1.267 4.518 1.00 0.00 C ATOM 602 CG ARG A 36 -10.688 1.966 3.779 1.00 0.00 C ATOM 603 CD ARG A 36 -11.226 3.012 2.801 1.00 0.00 C ATOM 604 NE ARG A 36 -10.442 2.982 1.546 1.00 0.00 N ATOM 605 CZ ARG A 36 -10.889 3.440 0.369 1.00 0.00 C ATOM 606 NH1 ARG A 36 -12.118 3.966 0.279 1.00 0.00 N ATOM 607 NH2 ARG A 36 -10.108 3.372 -0.717 1.00 0.00 N ATOM 0 H ARG A 36 -11.504 -1.193 4.475 1.00 0.00 H new ATOM 0 HA ARG A 36 -10.311 0.846 5.973 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -12.350 0.593 3.837 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -12.559 2.006 4.851 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -10.023 2.444 4.499 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -10.095 1.228 3.238 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -12.277 2.816 2.588 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -11.171 4.004 3.250 1.00 0.00 H new ATOM 0 HE ARG A 36 -9.502 2.588 1.579 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -12.713 4.018 1.106 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -12.459 4.315 -0.617 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -9.173 2.971 -0.648 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -10.449 3.721 -1.613 1.00 0.00 H new ATOM 621 N ASN A 37 -13.441 0.131 6.785 1.00 0.00 N ATOM 622 CA ASN A 37 -14.437 0.250 7.836 1.00 0.00 C ATOM 623 C ASN A 37 -13.881 -0.349 9.129 1.00 0.00 C ATOM 624 O ASN A 37 -14.146 0.160 10.217 1.00 0.00 O ATOM 625 CB ASN A 37 -15.715 -0.510 7.473 1.00 0.00 C ATOM 626 CG ASN A 37 -16.810 0.450 7.006 1.00 0.00 C ATOM 627 OD1 ASN A 37 -17.115 1.444 7.645 1.00 0.00 O ATOM 628 ND2 ASN A 37 -17.384 0.098 5.859 1.00 0.00 N ATOM 0 H ASN A 37 -13.741 -0.407 5.972 1.00 0.00 H new ATOM 0 HA ASN A 37 -14.670 1.307 7.962 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -15.501 -1.233 6.686 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -16.065 -1.074 8.338 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -18.128 0.673 5.463 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -17.081 -0.747 5.375 1.00 0.00 H new ATOM 635 N LYS A 38 -13.121 -1.422 8.968 1.00 0.00 N ATOM 636 CA LYS A 38 -12.526 -2.096 10.109 1.00 0.00 C ATOM 637 C LYS A 38 -11.590 -1.129 10.835 1.00 0.00 C ATOM 638 O LYS A 38 -11.687 -0.959 12.050 1.00 0.00 O ATOM 639 CB LYS A 38 -11.848 -3.395 9.670 1.00 0.00 C ATOM 640 CG LYS A 38 -11.778 -4.395 10.826 1.00 0.00 C ATOM 641 CD LYS A 38 -12.051 -5.819 10.337 1.00 0.00 C ATOM 642 CE LYS A 38 -12.505 -6.717 11.489 1.00 0.00 C ATOM 643 NZ LYS A 38 -13.959 -6.566 11.723 1.00 0.00 N ATOM 0 H LYS A 38 -12.904 -1.841 8.064 1.00 0.00 H new ATOM 0 HA LYS A 38 -13.296 -2.391 10.822 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -12.399 -3.834 8.838 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -10.842 -3.180 9.309 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -10.794 -4.349 11.292 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -12.506 -4.124 11.591 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -12.817 -5.800 9.562 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -11.149 -6.231 9.884 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -12.274 -7.757 11.260 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -11.956 -6.461 12.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -14.250 -7.183 12.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -14.171 -5.577 11.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -14.479 -6.833 10.863 1.00 0.00 H new ATOM 657 N LEU A 39 -10.703 -0.520 10.062 1.00 0.00 N ATOM 658 CA LEU A 39 -9.750 0.427 10.616 1.00 0.00 C ATOM 659 C LEU A 39 -10.504 1.638 11.168 1.00 0.00 C ATOM 660 O LEU A 39 -10.323 2.011 12.327 1.00 0.00 O ATOM 661 CB LEU A 39 -8.685 0.785 9.578 1.00 0.00 C ATOM 662 CG LEU A 39 -7.232 0.576 10.008 1.00 0.00 C ATOM 663 CD1 LEU A 39 -6.720 -0.795 9.562 1.00 0.00 C ATOM 664 CD2 LEU A 39 -6.341 1.712 9.502 1.00 0.00 C ATOM 0 H LEU A 39 -10.624 -0.664 9.055 1.00 0.00 H new ATOM 0 HA LEU A 39 -9.210 -0.020 11.451 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -8.866 0.192 8.681 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -8.814 1.831 9.300 1.00 0.00 H new ATOM 0 HG LEU A 39 -7.192 0.596 11.097 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -5.685 -0.918 9.880 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -7.333 -1.576 10.011 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -6.777 -0.869 8.476 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -5.313 1.539 9.822 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -6.381 1.748 8.413 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -6.693 2.660 9.910 1.00 0.00 H new ATOM 676 N ALA A 40 -11.332 2.220 10.313 1.00 0.00 N ATOM 677 CA ALA A 40 -12.113 3.382 10.701 1.00 0.00 C ATOM 678 C ALA A 40 -12.805 3.103 12.037 1.00 0.00 C ATOM 679 O ALA A 40 -12.939 3.999 12.869 1.00 0.00 O ATOM 680 CB ALA A 40 -13.108 3.723 9.590 1.00 0.00 C ATOM 0 H ALA A 40 -11.479 1.908 9.353 1.00 0.00 H new ATOM 0 HA ALA A 40 -11.467 4.249 10.838 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -13.694 4.595 9.881 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -12.566 3.941 8.670 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -13.775 2.876 9.426 1.00 0.00 H new ATOM 686 N ALA A 41 -13.226 1.858 12.201 1.00 0.00 N ATOM 687 CA ALA A 41 -13.901 1.450 13.421 1.00 0.00 C ATOM 688 C ALA A 41 -12.874 1.327 14.549 1.00 0.00 C ATOM 689 O ALA A 41 -13.159 1.678 15.693 1.00 0.00 O ATOM 690 CB ALA A 41 -14.656 0.142 13.175 1.00 0.00 C ATOM 0 H ALA A 41 -13.113 1.118 11.509 1.00 0.00 H new ATOM 0 HA ALA A 41 -14.635 2.198 13.722 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -15.162 -0.164 14.091 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -15.393 0.290 12.385 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -13.952 -0.633 12.874 1.00 0.00 H new ATOM 696 N MET A 42 -11.702 0.828 14.187 1.00 0.00 N ATOM 697 CA MET A 42 -10.632 0.654 15.155 1.00 0.00 C ATOM 698 C MET A 42 -10.122 2.006 15.658 1.00 0.00 C ATOM 699 O MET A 42 -9.961 2.205 16.861 1.00 0.00 O ATOM 700 CB MET A 42 -9.479 -0.118 14.509 1.00 0.00 C ATOM 701 CG MET A 42 -9.731 -1.626 14.563 1.00 0.00 C ATOM 702 SD MET A 42 -8.393 -2.437 15.422 1.00 0.00 S ATOM 703 CE MET A 42 -7.484 -3.091 14.032 1.00 0.00 C ATOM 0 H MET A 42 -11.469 0.539 13.237 1.00 0.00 H new ATOM 0 HA MET A 42 -11.024 0.096 16.005 1.00 0.00 H new ATOM 0 HB2 MET A 42 -9.361 0.198 13.472 1.00 0.00 H new ATOM 0 HB3 MET A 42 -8.547 0.117 15.022 1.00 0.00 H new ATOM 0 HG2 MET A 42 -10.675 -1.828 15.070 1.00 0.00 H new ATOM 0 HG3 MET A 42 -9.820 -2.025 13.552 1.00 0.00 H new ATOM 0 HE1 MET A 42 -6.443 -3.245 14.318 1.00 0.00 H new ATOM 0 HE2 MET A 42 -7.921 -4.042 13.726 1.00 0.00 H new ATOM 0 HE3 MET A 42 -7.532 -2.386 13.202 1.00 0.00 H new ATOM 713 N LEU A 43 -9.882 2.902 14.711 1.00 0.00 N ATOM 714 CA LEU A 43 -9.394 4.229 15.042 1.00 0.00 C ATOM 715 C LEU A 43 -10.585 5.170 15.241 1.00 0.00 C ATOM 716 O LEU A 43 -10.404 6.366 15.466 1.00 0.00 O ATOM 717 CB LEU A 43 -8.398 4.713 13.987 1.00 0.00 C ATOM 718 CG LEU A 43 -7.776 3.629 13.105 1.00 0.00 C ATOM 719 CD1 LEU A 43 -6.620 4.193 12.276 1.00 0.00 C ATOM 720 CD2 LEU A 43 -7.345 2.422 13.942 1.00 0.00 C ATOM 0 H LEU A 43 -10.017 2.734 13.714 1.00 0.00 H new ATOM 0 HA LEU A 43 -8.842 4.208 15.982 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -8.903 5.433 13.342 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -7.594 5.247 14.493 1.00 0.00 H new ATOM 0 HG LEU A 43 -8.535 3.281 12.404 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -6.196 3.402 11.658 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -6.988 4.995 11.636 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -5.851 4.585 12.942 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -6.906 1.666 13.291 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -6.608 2.736 14.681 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -8.213 2.003 14.450 1.00 0.00 H new ATOM 732 N ASN A 44 -11.775 4.595 15.152 1.00 0.00 N ATOM 733 CA ASN A 44 -12.994 5.367 15.319 1.00 0.00 C ATOM 734 C ASN A 44 -12.885 6.665 14.517 1.00 0.00 C ATOM 735 O ASN A 44 -13.312 7.722 14.978 1.00 0.00 O ATOM 736 CB ASN A 44 -13.215 5.736 16.788 1.00 0.00 C ATOM 737 CG ASN A 44 -12.963 4.534 17.700 1.00 0.00 C ATOM 738 OD1 ASN A 44 -13.873 3.839 18.120 1.00 0.00 O ATOM 739 ND2 ASN A 44 -11.679 4.328 17.981 1.00 0.00 N ATOM 0 H ASN A 44 -11.921 3.603 14.966 1.00 0.00 H new ATOM 0 HA ASN A 44 -13.829 4.759 14.970 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -12.549 6.553 17.065 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -14.235 6.095 16.927 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -11.407 3.550 18.581 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -10.967 4.948 17.596 1.00 0.00 H new ATOM 746 N ALA A 45 -12.311 6.542 13.329 1.00 0.00 N ATOM 747 CA ALA A 45 -12.140 7.692 12.457 1.00 0.00 C ATOM 748 C ALA A 45 -13.078 7.559 11.255 1.00 0.00 C ATOM 749 O ALA A 45 -13.626 6.487 11.007 1.00 0.00 O ATOM 750 CB ALA A 45 -10.672 7.805 12.042 1.00 0.00 C ATOM 0 H ALA A 45 -11.958 5.663 12.950 1.00 0.00 H new ATOM 0 HA ALA A 45 -12.402 8.612 12.979 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -10.544 8.668 11.388 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -10.051 7.927 12.930 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -10.373 6.901 11.512 1.00 0.00 H new ATOM 756 N PRO A 46 -13.236 8.693 10.522 1.00 0.00 N ATOM 757 CA PRO A 46 -14.098 8.714 9.352 1.00 0.00 C ATOM 758 C PRO A 46 -13.435 8.002 8.171 1.00 0.00 C ATOM 759 O PRO A 46 -12.272 8.255 7.862 1.00 0.00 O ATOM 760 CB PRO A 46 -14.363 10.186 9.085 1.00 0.00 C ATOM 761 CG PRO A 46 -13.274 10.947 9.823 1.00 0.00 C ATOM 762 CD PRO A 46 -12.602 9.982 10.786 1.00 0.00 C ATOM 0 HA PRO A 46 -15.034 8.177 9.509 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -14.334 10.400 8.017 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -15.352 10.476 9.441 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -12.547 11.352 9.119 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -13.699 11.792 10.364 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -11.526 9.937 10.615 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -12.747 10.290 11.821 1.00 0.00 H new ATOM 770 N LEU A 47 -14.205 7.125 7.543 1.00 0.00 N ATOM 771 CA LEU A 47 -13.707 6.374 6.402 1.00 0.00 C ATOM 772 C LEU A 47 -13.206 7.349 5.335 1.00 0.00 C ATOM 773 O LEU A 47 -12.083 7.221 4.850 1.00 0.00 O ATOM 774 CB LEU A 47 -14.774 5.402 5.895 1.00 0.00 C ATOM 775 CG LEU A 47 -14.299 3.976 5.608 1.00 0.00 C ATOM 776 CD1 LEU A 47 -15.234 2.947 6.247 1.00 0.00 C ATOM 777 CD2 LEU A 47 -14.135 3.745 4.104 1.00 0.00 C ATOM 0 H LEU A 47 -15.169 6.918 7.802 1.00 0.00 H new ATOM 0 HA LEU A 47 -12.858 5.756 6.693 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -15.575 5.356 6.633 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -15.205 5.811 4.981 1.00 0.00 H new ATOM 0 HG LEU A 47 -13.317 3.845 6.063 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -14.873 1.942 6.028 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -15.257 3.097 7.326 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -16.239 3.068 5.843 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -13.797 2.724 3.927 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -15.092 3.902 3.605 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -13.400 4.445 3.706 1.00 0.00 H new ATOM 789 N GLU A 48 -14.064 8.302 5.000 1.00 0.00 N ATOM 790 CA GLU A 48 -13.722 9.298 3.999 1.00 0.00 C ATOM 791 C GLU A 48 -12.300 9.814 4.227 1.00 0.00 C ATOM 792 O GLU A 48 -11.487 9.834 3.304 1.00 0.00 O ATOM 793 CB GLU A 48 -14.730 10.449 4.004 1.00 0.00 C ATOM 794 CG GLU A 48 -14.914 11.011 5.415 1.00 0.00 C ATOM 795 CD GLU A 48 -16.223 11.794 5.527 1.00 0.00 C ATOM 796 OE1 GLU A 48 -16.195 12.998 5.190 1.00 0.00 O ATOM 797 OE2 GLU A 48 -17.223 11.172 5.947 1.00 0.00 O ATOM 0 H GLU A 48 -14.995 8.405 5.404 1.00 0.00 H new ATOM 0 HA GLU A 48 -13.763 8.826 3.017 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -14.388 11.239 3.336 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -15.688 10.099 3.620 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -14.911 10.196 6.138 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -14.075 11.661 5.664 1.00 0.00 H new ATOM 804 N LEU A 49 -12.042 10.218 5.463 1.00 0.00 N ATOM 805 CA LEU A 49 -10.732 10.733 5.824 1.00 0.00 C ATOM 806 C LEU A 49 -9.704 9.603 5.737 1.00 0.00 C ATOM 807 O LEU A 49 -8.522 9.852 5.505 1.00 0.00 O ATOM 808 CB LEU A 49 -10.783 11.414 7.193 1.00 0.00 C ATOM 809 CG LEU A 49 -11.691 12.642 7.298 1.00 0.00 C ATOM 810 CD1 LEU A 49 -11.438 13.401 8.602 1.00 0.00 C ATOM 811 CD2 LEU A 49 -11.538 13.543 6.071 1.00 0.00 C ATOM 0 H LEU A 49 -12.718 10.199 6.227 1.00 0.00 H new ATOM 0 HA LEU A 49 -10.419 11.505 5.121 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -11.111 10.680 7.930 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -9.771 11.711 7.467 1.00 0.00 H new ATOM 0 HG LEU A 49 -12.726 12.301 7.320 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -12.096 14.269 8.651 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -11.638 12.745 9.449 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -10.400 13.731 8.636 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -12.194 14.408 6.171 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -10.504 13.879 5.993 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -11.807 12.985 5.174 1.00 0.00 H new ATOM 823 N LEU A 50 -10.191 8.386 5.928 1.00 0.00 N ATOM 824 CA LEU A 50 -9.329 7.218 5.874 1.00 0.00 C ATOM 825 C LEU A 50 -9.132 6.802 4.416 1.00 0.00 C ATOM 826 O LEU A 50 -10.083 6.790 3.635 1.00 0.00 O ATOM 827 CB LEU A 50 -9.883 6.102 6.763 1.00 0.00 C ATOM 828 CG LEU A 50 -8.872 5.407 7.677 1.00 0.00 C ATOM 829 CD1 LEU A 50 -8.946 5.963 9.100 1.00 0.00 C ATOM 830 CD2 LEU A 50 -9.055 3.889 7.644 1.00 0.00 C ATOM 0 H LEU A 50 -11.172 8.183 6.120 1.00 0.00 H new ATOM 0 HA LEU A 50 -8.343 7.453 6.274 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -10.677 6.519 7.383 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -10.342 5.349 6.123 1.00 0.00 H new ATOM 0 HG LEU A 50 -7.871 5.618 7.301 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -8.217 5.452 9.729 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -8.727 7.031 9.085 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -9.947 5.803 9.501 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -8.324 3.420 8.302 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -10.061 3.636 7.980 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -8.911 3.527 6.626 1.00 0.00 H new ATOM 842 N VAL A 51 -7.891 6.470 4.091 1.00 0.00 N ATOM 843 CA VAL A 51 -7.556 6.055 2.739 1.00 0.00 C ATOM 844 C VAL A 51 -6.573 4.884 2.799 1.00 0.00 C ATOM 845 O VAL A 51 -5.890 4.693 3.804 1.00 0.00 O ATOM 846 CB VAL A 51 -7.020 7.246 1.943 1.00 0.00 C ATOM 847 CG1 VAL A 51 -7.185 7.019 0.439 1.00 0.00 C ATOM 848 CG2 VAL A 51 -7.698 8.547 2.379 1.00 0.00 C ATOM 0 H VAL A 51 -7.105 6.480 4.741 1.00 0.00 H new ATOM 0 HA VAL A 51 -8.446 5.706 2.215 1.00 0.00 H new ATOM 0 HB VAL A 51 -5.954 7.337 2.153 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -6.796 7.880 -0.104 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -6.635 6.125 0.143 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -8.241 6.889 0.204 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -7.299 9.378 1.798 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -8.773 8.471 2.213 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -7.506 8.720 3.438 1.00 0.00 H new ATOM 858 N ILE A 52 -6.533 4.131 1.710 1.00 0.00 N ATOM 859 CA ILE A 52 -5.644 2.984 1.626 1.00 0.00 C ATOM 860 C ILE A 52 -4.655 3.194 0.478 1.00 0.00 C ATOM 861 O ILE A 52 -5.057 3.474 -0.650 1.00 0.00 O ATOM 862 CB ILE A 52 -6.451 1.689 1.513 1.00 0.00 C ATOM 863 CG1 ILE A 52 -7.548 1.631 2.578 1.00 0.00 C ATOM 864 CG2 ILE A 52 -5.534 0.465 1.568 1.00 0.00 C ATOM 865 CD1 ILE A 52 -7.035 0.969 3.858 1.00 0.00 C ATOM 0 H ILE A 52 -7.101 4.292 0.879 1.00 0.00 H new ATOM 0 HA ILE A 52 -5.057 2.889 2.540 1.00 0.00 H new ATOM 0 HB ILE A 52 -6.945 1.679 0.541 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -7.897 2.639 2.801 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -8.403 1.075 2.194 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -6.133 -0.442 1.486 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -4.822 0.506 0.743 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -4.993 0.458 2.514 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -7.834 0.941 4.598 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -6.709 -0.047 3.637 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -6.195 1.541 4.252 1.00 0.00 H new ATOM 877 N GLN A 53 -3.379 3.051 0.805 1.00 0.00 N ATOM 878 CA GLN A 53 -2.329 3.221 -0.184 1.00 0.00 C ATOM 879 C GLN A 53 -2.378 2.089 -1.212 1.00 0.00 C ATOM 880 O GLN A 53 -2.723 2.312 -2.371 1.00 0.00 O ATOM 881 CB GLN A 53 -0.954 3.297 0.483 1.00 0.00 C ATOM 882 CG GLN A 53 0.158 3.404 -0.563 1.00 0.00 C ATOM 883 CD GLN A 53 1.527 3.125 0.061 1.00 0.00 C ATOM 884 OE1 GLN A 53 2.102 2.060 -0.090 1.00 0.00 O ATOM 885 NE2 GLN A 53 2.014 4.139 0.771 1.00 0.00 N ATOM 0 H GLN A 53 -3.049 2.819 1.742 1.00 0.00 H new ATOM 0 HA GLN A 53 -2.497 4.164 -0.704 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -0.916 4.159 1.149 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -0.795 2.412 1.099 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -0.028 2.696 -1.371 1.00 0.00 H new ATOM 0 HG3 GLN A 53 0.152 4.401 -1.005 1.00 0.00 H new ATOM 0 HE21 GLN A 53 1.480 5.004 0.857 1.00 0.00 H new ATOM 0 HE22 GLN A 53 2.921 4.052 1.229 1.00 0.00 H new ATOM 894 N ARG A 54 -2.028 0.898 -0.749 1.00 0.00 N ATOM 895 CA ARG A 54 -2.028 -0.270 -1.613 1.00 0.00 C ATOM 896 C ARG A 54 -1.905 -1.548 -0.780 1.00 0.00 C ATOM 897 O ARG A 54 -0.955 -1.704 -0.014 1.00 0.00 O ATOM 898 CB ARG A 54 -0.876 -0.212 -2.619 1.00 0.00 C ATOM 899 CG ARG A 54 -1.251 -0.917 -3.924 1.00 0.00 C ATOM 900 CD ARG A 54 -0.730 -0.142 -5.135 1.00 0.00 C ATOM 901 NE ARG A 54 -0.208 -1.082 -6.152 1.00 0.00 N ATOM 902 CZ ARG A 54 0.582 -0.721 -7.173 1.00 0.00 C ATOM 903 NH1 ARG A 54 0.946 0.560 -7.319 1.00 0.00 N ATOM 904 NH2 ARG A 54 1.009 -1.642 -8.047 1.00 0.00 N ATOM 0 H ARG A 54 -1.742 0.717 0.213 1.00 0.00 H new ATOM 0 HA ARG A 54 -2.972 -0.278 -2.159 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -0.619 0.827 -2.824 1.00 0.00 H new ATOM 0 HB3 ARG A 54 0.010 -0.680 -2.190 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -0.838 -1.926 -3.928 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -2.335 -1.016 -3.990 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -1.531 0.461 -5.563 1.00 0.00 H new ATOM 0 HD3 ARG A 54 0.057 0.546 -4.826 1.00 0.00 H new ATOM 0 HE ARG A 54 -0.465 -2.066 -6.071 1.00 0.00 H new ATOM 0 HH11 ARG A 54 0.622 1.261 -6.653 1.00 0.00 H new ATOM 0 HH12 ARG A 54 1.547 0.834 -8.096 1.00 0.00 H new ATOM 0 HH21 ARG A 54 0.733 -2.618 -7.935 1.00 0.00 H new ATOM 0 HH22 ARG A 54 1.610 -1.368 -8.824 1.00 0.00 H new ATOM 918 N ILE A 55 -2.878 -2.428 -0.957 1.00 0.00 N ATOM 919 CA ILE A 55 -2.890 -3.687 -0.231 1.00 0.00 C ATOM 920 C ILE A 55 -2.097 -4.732 -1.018 1.00 0.00 C ATOM 921 O ILE A 55 -2.162 -4.772 -2.245 1.00 0.00 O ATOM 922 CB ILE A 55 -4.327 -4.112 0.080 1.00 0.00 C ATOM 923 CG1 ILE A 55 -4.913 -3.271 1.216 1.00 0.00 C ATOM 924 CG2 ILE A 55 -4.403 -5.611 0.378 1.00 0.00 C ATOM 925 CD1 ILE A 55 -6.300 -3.780 1.615 1.00 0.00 C ATOM 0 H ILE A 55 -3.664 -2.295 -1.593 1.00 0.00 H new ATOM 0 HA ILE A 55 -2.399 -3.574 0.735 1.00 0.00 H new ATOM 0 HB ILE A 55 -4.937 -3.929 -0.804 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -4.247 -3.304 2.079 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -4.980 -2.229 0.905 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -5.435 -5.887 0.596 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -4.052 -6.172 -0.488 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -3.776 -5.843 1.239 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -6.694 -3.165 2.424 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -6.969 -3.723 0.757 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -6.226 -4.815 1.949 1.00 0.00 H new ATOM 937 N LYS A 56 -1.365 -5.552 -0.278 1.00 0.00 N ATOM 938 CA LYS A 56 -0.559 -6.595 -0.891 1.00 0.00 C ATOM 939 C LYS A 56 -0.934 -7.947 -0.281 1.00 0.00 C ATOM 940 O LYS A 56 -0.659 -8.202 0.890 1.00 0.00 O ATOM 941 CB LYS A 56 0.929 -6.260 -0.775 1.00 0.00 C ATOM 942 CG LYS A 56 1.366 -5.310 -1.893 1.00 0.00 C ATOM 943 CD LYS A 56 2.428 -4.328 -1.394 1.00 0.00 C ATOM 944 CE LYS A 56 3.047 -3.553 -2.559 1.00 0.00 C ATOM 945 NZ LYS A 56 4.501 -3.815 -2.641 1.00 0.00 N ATOM 0 H LYS A 56 -1.313 -5.516 0.740 1.00 0.00 H new ATOM 0 HA LYS A 56 -0.765 -6.658 -1.959 1.00 0.00 H new ATOM 0 HB2 LYS A 56 1.128 -5.803 0.194 1.00 0.00 H new ATOM 0 HB3 LYS A 56 1.517 -7.177 -0.822 1.00 0.00 H new ATOM 0 HG2 LYS A 56 1.762 -5.885 -2.730 1.00 0.00 H new ATOM 0 HG3 LYS A 56 0.502 -4.759 -2.265 1.00 0.00 H new ATOM 0 HD2 LYS A 56 1.980 -3.631 -0.686 1.00 0.00 H new ATOM 0 HD3 LYS A 56 3.207 -4.870 -0.858 1.00 0.00 H new ATOM 0 HE2 LYS A 56 2.566 -3.843 -3.493 1.00 0.00 H new ATOM 0 HE3 LYS A 56 2.871 -2.485 -2.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 4.906 -3.281 -3.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 4.958 -3.516 -1.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 4.663 -4.832 -2.788 1.00 0.00 H new ATOM 959 N THR A 57 -1.556 -8.779 -1.104 1.00 0.00 N ATOM 960 CA THR A 57 -1.972 -10.099 -0.661 1.00 0.00 C ATOM 961 C THR A 57 -0.878 -11.128 -0.954 1.00 0.00 C ATOM 962 O THR A 57 -0.277 -11.112 -2.026 1.00 0.00 O ATOM 963 CB THR A 57 -3.308 -10.424 -1.331 1.00 0.00 C ATOM 964 OG1 THR A 57 -4.095 -9.255 -1.120 1.00 0.00 O ATOM 965 CG2 THR A 57 -4.076 -11.528 -0.601 1.00 0.00 C ATOM 0 H THR A 57 -1.782 -8.564 -2.075 1.00 0.00 H new ATOM 0 HA THR A 57 -2.120 -10.126 0.419 1.00 0.00 H new ATOM 0 HB THR A 57 -3.133 -10.726 -2.363 1.00 0.00 H new ATOM 0 HG1 THR A 57 -4.979 -9.378 -1.524 1.00 0.00 H new ATOM 0 HG21 THR A 57 -5.016 -11.720 -1.118 1.00 0.00 H new ATOM 0 HG22 THR A 57 -3.478 -12.439 -0.587 1.00 0.00 H new ATOM 0 HG23 THR A 57 -4.282 -11.213 0.422 1.00 0.00 H new ATOM 1050 N GLU A 63 -2.638 -13.645 4.071 1.00 0.00 N ATOM 1051 CA GLU A 63 -2.484 -12.380 4.769 1.00 0.00 C ATOM 1052 C GLU A 63 -2.281 -11.242 3.766 1.00 0.00 C ATOM 1053 O GLU A 63 -1.558 -11.398 2.783 1.00 0.00 O ATOM 1054 CB GLU A 63 -1.329 -12.442 5.770 1.00 0.00 C ATOM 1055 CG GLU A 63 -1.052 -11.063 6.374 1.00 0.00 C ATOM 1056 CD GLU A 63 0.301 -10.522 5.908 1.00 0.00 C ATOM 1057 OE1 GLU A 63 0.340 -9.987 4.779 1.00 0.00 O ATOM 1058 OE2 GLU A 63 1.266 -10.657 6.690 1.00 0.00 O ATOM 0 HA GLU A 63 -3.397 -12.184 5.331 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -1.569 -13.149 6.564 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -0.432 -12.812 5.273 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -1.843 -10.371 6.086 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -1.066 -11.129 7.462 1.00 0.00 H new ATOM 1065 N SER A 64 -2.931 -10.123 4.049 1.00 0.00 N ATOM 1066 CA SER A 64 -2.830 -8.960 3.184 1.00 0.00 C ATOM 1067 C SER A 64 -2.427 -7.732 4.003 1.00 0.00 C ATOM 1068 O SER A 64 -3.021 -7.452 5.044 1.00 0.00 O ATOM 1069 CB SER A 64 -4.149 -8.700 2.454 1.00 0.00 C ATOM 1070 OG SER A 64 -4.589 -9.842 1.724 1.00 0.00 O ATOM 0 H SER A 64 -3.530 -9.997 4.865 1.00 0.00 H new ATOM 0 HA SER A 64 -2.063 -9.157 2.435 1.00 0.00 H new ATOM 0 HB2 SER A 64 -4.913 -8.415 3.177 1.00 0.00 H new ATOM 0 HB3 SER A 64 -4.026 -7.859 1.772 1.00 0.00 H new ATOM 0 HG SER A 64 -4.581 -9.640 0.765 1.00 0.00 H new ATOM 1076 N LYS A 65 -1.419 -7.032 3.504 1.00 0.00 N ATOM 1077 CA LYS A 65 -0.929 -5.841 4.176 1.00 0.00 C ATOM 1078 C LYS A 65 -1.170 -4.621 3.284 1.00 0.00 C ATOM 1079 O LYS A 65 -1.125 -4.725 2.059 1.00 0.00 O ATOM 1080 CB LYS A 65 0.533 -6.021 4.588 1.00 0.00 C ATOM 1081 CG LYS A 65 1.477 -5.615 3.455 1.00 0.00 C ATOM 1082 CD LYS A 65 2.935 -5.650 3.916 1.00 0.00 C ATOM 1083 CE LYS A 65 3.470 -7.083 3.936 1.00 0.00 C ATOM 1084 NZ LYS A 65 3.749 -7.552 2.560 1.00 0.00 N ATOM 0 H LYS A 65 -0.928 -7.267 2.641 1.00 0.00 H new ATOM 0 HA LYS A 65 -1.479 -5.673 5.102 1.00 0.00 H new ATOM 0 HB2 LYS A 65 0.742 -5.420 5.473 1.00 0.00 H new ATOM 0 HB3 LYS A 65 0.712 -7.061 4.860 1.00 0.00 H new ATOM 0 HG2 LYS A 65 1.344 -6.287 2.608 1.00 0.00 H new ATOM 0 HG3 LYS A 65 1.225 -4.612 3.109 1.00 0.00 H new ATOM 0 HD2 LYS A 65 3.545 -5.040 3.250 1.00 0.00 H new ATOM 0 HD3 LYS A 65 3.016 -5.214 4.912 1.00 0.00 H new ATOM 0 HE2 LYS A 65 4.380 -7.129 4.534 1.00 0.00 H new ATOM 0 HE3 LYS A 65 2.743 -7.742 4.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 4.324 -8.418 2.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 2.852 -7.753 2.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 4.267 -6.815 2.040 1.00 0.00 H new ATOM 1098 N GLY A 66 -1.421 -3.494 3.933 1.00 0.00 N ATOM 1099 CA GLY A 66 -1.669 -2.256 3.214 1.00 0.00 C ATOM 1100 C GLY A 66 -1.638 -1.055 4.163 1.00 0.00 C ATOM 1101 O GLY A 66 -2.190 -1.112 5.260 1.00 0.00 O ATOM 0 H GLY A 66 -1.458 -3.412 4.949 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -0.918 -2.127 2.434 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -2.638 -2.307 2.718 1.00 0.00 H new ATOM 1105 N TYR A 67 -0.987 0.004 3.704 1.00 0.00 N ATOM 1106 CA TYR A 67 -0.877 1.216 4.498 1.00 0.00 C ATOM 1107 C TYR A 67 -2.100 2.114 4.300 1.00 0.00 C ATOM 1108 O TYR A 67 -2.624 2.220 3.192 1.00 0.00 O ATOM 1109 CB TYR A 67 0.365 1.946 3.984 1.00 0.00 C ATOM 1110 CG TYR A 67 1.678 1.437 4.583 1.00 0.00 C ATOM 1111 CD1 TYR A 67 2.009 0.101 4.485 1.00 0.00 C ATOM 1112 CD2 TYR A 67 2.532 2.314 5.220 1.00 0.00 C ATOM 1113 CE1 TYR A 67 3.245 -0.378 5.049 1.00 0.00 C ATOM 1114 CE2 TYR A 67 3.767 1.836 5.784 1.00 0.00 C ATOM 1115 CZ TYR A 67 4.063 0.513 5.671 1.00 0.00 C ATOM 1116 OH TYR A 67 5.229 0.061 6.203 1.00 0.00 O ATOM 0 H TYR A 67 -0.531 0.048 2.793 1.00 0.00 H new ATOM 0 HA TYR A 67 -0.811 0.975 5.559 1.00 0.00 H new ATOM 0 HB2 TYR A 67 0.410 1.847 2.899 1.00 0.00 H new ATOM 0 HB3 TYR A 67 0.266 3.009 4.203 1.00 0.00 H new ATOM 0 HD1 TYR A 67 1.341 -0.586 3.985 1.00 0.00 H new ATOM 0 HD2 TYR A 67 2.274 3.360 5.295 1.00 0.00 H new ATOM 0 HE1 TYR A 67 3.516 -1.421 4.979 1.00 0.00 H new ATOM 0 HE2 TYR A 67 4.443 2.512 6.286 1.00 0.00 H new ATOM 0 HH TYR A 67 5.224 0.205 7.172 1.00 0.00 H new ATOM 1126 N ALA A 68 -2.519 2.738 5.391 1.00 0.00 N ATOM 1127 CA ALA A 68 -3.670 3.624 5.351 1.00 0.00 C ATOM 1128 C ALA A 68 -3.242 5.029 5.778 1.00 0.00 C ATOM 1129 O ALA A 68 -2.271 5.189 6.515 1.00 0.00 O ATOM 1130 CB ALA A 68 -4.781 3.058 6.238 1.00 0.00 C ATOM 0 H ALA A 68 -2.082 2.648 6.308 1.00 0.00 H new ATOM 0 HA ALA A 68 -4.065 3.694 4.338 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -5.644 3.723 6.208 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -5.069 2.072 5.875 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -4.421 2.976 7.264 1.00 0.00 H new ATOM 1136 N LYS A 69 -3.988 6.013 5.296 1.00 0.00 N ATOM 1137 CA LYS A 69 -3.698 7.399 5.619 1.00 0.00 C ATOM 1138 C LYS A 69 -4.897 8.011 6.346 1.00 0.00 C ATOM 1139 O LYS A 69 -5.965 8.179 5.758 1.00 0.00 O ATOM 1140 CB LYS A 69 -3.285 8.167 4.361 1.00 0.00 C ATOM 1141 CG LYS A 69 -1.899 7.729 3.883 1.00 0.00 C ATOM 1142 CD LYS A 69 -1.711 8.033 2.395 1.00 0.00 C ATOM 1143 CE LYS A 69 -1.805 6.755 1.559 1.00 0.00 C ATOM 1144 NZ LYS A 69 -1.527 7.047 0.135 1.00 0.00 N ATOM 0 H LYS A 69 -4.793 5.877 4.684 1.00 0.00 H new ATOM 0 HA LYS A 69 -2.847 7.462 6.298 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -4.017 7.998 3.571 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -3.281 9.237 4.568 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -1.132 8.242 4.463 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -1.770 6.661 4.059 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -2.470 8.743 2.067 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -0.742 8.505 2.236 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -1.094 6.017 1.931 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -2.799 6.319 1.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -1.595 6.169 -0.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -2.221 7.735 -0.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -0.569 7.442 0.042 1.00 0.00 H new ATOM 1158 N LEU A 70 -4.682 8.326 7.614 1.00 0.00 N ATOM 1159 CA LEU A 70 -5.732 8.916 8.428 1.00 0.00 C ATOM 1160 C LEU A 70 -5.524 10.430 8.503 1.00 0.00 C ATOM 1161 O LEU A 70 -4.465 10.894 8.924 1.00 0.00 O ATOM 1162 CB LEU A 70 -5.794 8.235 9.797 1.00 0.00 C ATOM 1163 CG LEU A 70 -6.631 8.947 10.862 1.00 0.00 C ATOM 1164 CD1 LEU A 70 -8.037 9.252 10.341 1.00 0.00 C ATOM 1165 CD2 LEU A 70 -6.664 8.141 12.162 1.00 0.00 C ATOM 0 H LEU A 70 -3.796 8.184 8.099 1.00 0.00 H new ATOM 0 HA LEU A 70 -6.707 8.751 7.970 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -6.192 7.229 9.663 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -4.777 8.128 10.174 1.00 0.00 H new ATOM 0 HG LEU A 70 -6.157 9.902 11.087 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -8.611 9.758 11.117 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -7.968 9.895 9.463 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -8.535 8.321 10.071 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -7.265 8.669 12.902 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -7.101 7.161 11.971 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -5.649 8.018 12.540 1.00 0.00 H new ATOM 1177 N TYR A 71 -6.551 11.157 8.088 1.00 0.00 N ATOM 1178 CA TYR A 71 -6.494 12.609 8.103 1.00 0.00 C ATOM 1179 C TYR A 71 -7.475 13.186 9.125 1.00 0.00 C ATOM 1180 O TYR A 71 -8.305 12.460 9.672 1.00 0.00 O ATOM 1181 CB TYR A 71 -6.910 13.061 6.702 1.00 0.00 C ATOM 1182 CG TYR A 71 -5.883 12.742 5.614 1.00 0.00 C ATOM 1183 CD1 TYR A 71 -5.815 11.471 5.081 1.00 0.00 C ATOM 1184 CD2 TYR A 71 -5.024 13.725 5.166 1.00 0.00 C ATOM 1185 CE1 TYR A 71 -4.849 11.170 4.057 1.00 0.00 C ATOM 1186 CE2 TYR A 71 -4.057 13.424 4.142 1.00 0.00 C ATOM 1187 CZ TYR A 71 -4.017 12.162 3.638 1.00 0.00 C ATOM 1188 OH TYR A 71 -3.104 11.878 2.671 1.00 0.00 O ATOM 0 H TYR A 71 -7.427 10.768 7.739 1.00 0.00 H new ATOM 0 HA TYR A 71 -5.495 12.951 8.374 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -7.856 12.586 6.444 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -7.087 14.136 6.716 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -6.487 10.702 5.432 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -5.077 14.720 5.583 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -4.786 10.180 3.631 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -3.379 14.184 3.783 1.00 0.00 H new ATOM 0 HH TYR A 71 -2.579 12.681 2.471 1.00 0.00 H new ATOM 1198 N GLU A 72 -7.349 14.485 9.352 1.00 0.00 N ATOM 1199 CA GLU A 72 -8.215 15.167 10.298 1.00 0.00 C ATOM 1200 C GLU A 72 -9.371 15.849 9.564 1.00 0.00 C ATOM 1201 O GLU A 72 -10.491 15.894 10.070 1.00 0.00 O ATOM 1202 CB GLU A 72 -7.425 16.177 11.134 1.00 0.00 C ATOM 1203 CG GLU A 72 -6.549 15.466 12.168 1.00 0.00 C ATOM 1204 CD GLU A 72 -6.674 16.130 13.541 1.00 0.00 C ATOM 1205 OE1 GLU A 72 -6.070 17.212 13.705 1.00 0.00 O ATOM 1206 OE2 GLU A 72 -7.370 15.540 14.395 1.00 0.00 O ATOM 0 H GLU A 72 -6.660 15.083 8.897 1.00 0.00 H new ATOM 0 HA GLU A 72 -8.631 14.425 10.980 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -6.801 16.786 10.480 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -8.114 16.854 11.639 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -6.841 14.418 12.239 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -5.509 15.486 11.844 1.00 0.00 H new ATOM 1213 N ASP A 73 -9.060 16.361 8.383 1.00 0.00 N ATOM 1214 CA ASP A 73 -10.059 17.038 7.574 1.00 0.00 C ATOM 1215 C ASP A 73 -10.010 16.490 6.146 1.00 0.00 C ATOM 1216 O ASP A 73 -8.987 15.960 5.716 1.00 0.00 O ATOM 1217 CB ASP A 73 -9.791 18.543 7.512 1.00 0.00 C ATOM 1218 CG ASP A 73 -10.094 19.307 8.803 1.00 0.00 C ATOM 1219 OD1 ASP A 73 -11.297 19.495 9.082 1.00 0.00 O ATOM 1220 OD2 ASP A 73 -9.114 19.685 9.481 1.00 0.00 O ATOM 0 H ASP A 73 -8.130 16.321 7.966 1.00 0.00 H new ATOM 0 HA ASP A 73 -11.034 16.864 8.028 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -8.744 18.700 7.252 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -10.388 18.970 6.706 1.00 0.00 H new ATOM 1225 N ALA A 74 -11.128 16.637 5.451 1.00 0.00 N ATOM 1226 CA ALA A 74 -11.225 16.164 4.081 1.00 0.00 C ATOM 1227 C ALA A 74 -10.576 17.185 3.145 1.00 0.00 C ATOM 1228 O ALA A 74 -9.911 16.814 2.179 1.00 0.00 O ATOM 1229 CB ALA A 74 -12.693 15.905 3.732 1.00 0.00 C ATOM 0 H ALA A 74 -11.975 17.077 5.811 1.00 0.00 H new ATOM 0 HA ALA A 74 -10.690 15.222 3.963 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -12.765 15.550 2.704 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -13.100 15.151 4.406 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -13.261 16.830 3.838 1.00 0.00 H new ATOM 1235 N ASP A 75 -10.791 18.453 3.465 1.00 0.00 N ATOM 1236 CA ASP A 75 -10.234 19.531 2.666 1.00 0.00 C ATOM 1237 C ASP A 75 -8.717 19.362 2.574 1.00 0.00 C ATOM 1238 O ASP A 75 -8.143 19.447 1.489 1.00 0.00 O ATOM 1239 CB ASP A 75 -10.520 20.893 3.302 1.00 0.00 C ATOM 1240 CG ASP A 75 -10.954 21.986 2.323 1.00 0.00 C ATOM 1241 OD1 ASP A 75 -10.742 21.777 1.109 1.00 0.00 O ATOM 1242 OD2 ASP A 75 -11.489 23.005 2.811 1.00 0.00 O ATOM 0 H ASP A 75 -11.343 18.758 4.267 1.00 0.00 H new ATOM 0 HA ASP A 75 -10.694 19.490 1.679 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -11.299 20.769 4.054 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -9.624 21.229 3.824 1.00 0.00 H new ATOM 1247 N ARG A 76 -8.109 19.125 3.728 1.00 0.00 N ATOM 1248 CA ARG A 76 -6.669 18.942 3.791 1.00 0.00 C ATOM 1249 C ARG A 76 -6.232 17.830 2.837 1.00 0.00 C ATOM 1250 O ARG A 76 -5.321 18.019 2.032 1.00 0.00 O ATOM 1251 CB ARG A 76 -6.220 18.592 5.211 1.00 0.00 C ATOM 1252 CG ARG A 76 -5.639 19.817 5.921 1.00 0.00 C ATOM 1253 CD ARG A 76 -6.626 20.986 5.894 1.00 0.00 C ATOM 1254 NE ARG A 76 -7.295 21.114 7.208 1.00 0.00 N ATOM 1255 CZ ARG A 76 -6.655 21.384 8.354 1.00 0.00 C ATOM 1256 NH1 ARG A 76 -5.326 21.556 8.354 1.00 0.00 N ATOM 1257 NH2 ARG A 76 -7.343 21.481 9.499 1.00 0.00 N ATOM 0 H ARG A 76 -8.588 19.056 4.626 1.00 0.00 H new ATOM 0 HA ARG A 76 -6.203 19.882 3.496 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -7.066 18.206 5.779 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -5.472 17.800 5.175 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -5.398 19.563 6.953 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -4.707 20.112 5.440 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -6.101 21.910 5.652 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -7.369 20.827 5.112 1.00 0.00 H new ATOM 0 HE ARG A 76 -8.307 20.989 7.244 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -4.802 21.481 7.482 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -4.838 21.762 9.226 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -8.354 21.349 9.499 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -6.855 21.687 10.371 1.00 0.00 H new ATOM 1271 N MET A 77 -6.902 16.693 2.957 1.00 0.00 N ATOM 1272 CA MET A 77 -6.595 15.550 2.115 1.00 0.00 C ATOM 1273 C MET A 77 -6.569 15.948 0.638 1.00 0.00 C ATOM 1274 O MET A 77 -5.770 15.423 -0.136 1.00 0.00 O ATOM 1275 CB MET A 77 -7.645 14.459 2.331 1.00 0.00 C ATOM 1276 CG MET A 77 -7.574 13.402 1.227 1.00 0.00 C ATOM 1277 SD MET A 77 -8.293 11.872 1.799 1.00 0.00 S ATOM 1278 CE MET A 77 -10.016 12.334 1.837 1.00 0.00 C ATOM 0 H MET A 77 -7.657 16.539 3.625 1.00 0.00 H new ATOM 0 HA MET A 77 -5.608 15.176 2.389 1.00 0.00 H new ATOM 0 HB2 MET A 77 -7.490 13.987 3.301 1.00 0.00 H new ATOM 0 HB3 MET A 77 -8.639 14.905 2.349 1.00 0.00 H new ATOM 0 HG2 MET A 77 -8.103 13.753 0.341 1.00 0.00 H new ATOM 0 HG3 MET A 77 -6.537 13.239 0.935 1.00 0.00 H new ATOM 0 HE1 MET A 77 -10.384 12.281 2.861 1.00 0.00 H new ATOM 0 HE2 MET A 77 -10.128 13.352 1.464 1.00 0.00 H new ATOM 0 HE3 MET A 77 -10.589 11.652 1.209 1.00 0.00 H new