USER MOD reduce.3.24.130724 H: found=0, std=0, add=740, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 738 hydrogens (10 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 30 THR OG1 : rot -65:sc= 1.98 USER MOD Set 1.2: A 32 TYR OH : rot 84:sc= 0.457 USER MOD Set 2.1: A 14 SER OG : rot 180:sc= 0.678 USER MOD Set 2.2: A 113 ASN : amide:sc= 1.8 K(o=2.5,f=1.1) USER MOD Single : A 1 ALA N :NH3+ -111:sc= 0.111 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0.0162 USER MOD Single : A 8 THR OG1 : rot -140:sc= -0.465 USER MOD Single : A 10 SER OG : rot -148:sc= -1.12 USER MOD Single : A 11 SER OG : rot 180:sc= 0.0061 USER MOD Single : A 17 THR OG1 : rot 117:sc= 0.802 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN : amide:sc= -0.195 K(o=-0.2,f=-0.95) USER MOD Single : A 36 GLN : amide:sc= 1.32 K(o=1.3,f=-6.9!) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0.0322 USER MOD Single : A 48 ASN : amide:sc= -0.502 K(o=-0.5,f=-9.4!) USER MOD Single : A 53 SER OG : rot 180:sc=-0.000517 USER MOD Single : A 54 SER OG : rot 67:sc= 0.102 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= 0 K(o=0,f=-0.94) USER MOD Single : A 62 SER OG : rot 60:sc= 0.642 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0.101 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 107:sc= 0.77 USER MOD Single : A 85 THR OG1 : rot -70:sc= 1.24 USER MOD Single : A 89 THR OG1 : rot 114:sc= 1.31 USER MOD Single : A 90 THR OG1 : rot -46:sc= 0.578 USER MOD Single : A 94 GLN : amide:sc= 0.22 X(o=0.22,f=-0.24) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 103 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 111 SER OG : rot 180:sc=-0.00104 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -16.369 5.549 15.608 1.00 0.00 N ATOM 2 CA ALA A 1 -16.824 4.264 15.037 1.00 0.00 C ATOM 3 C ALA A 1 -15.646 3.319 14.873 1.00 0.00 C ATOM 4 O ALA A 1 -14.487 3.741 14.924 1.00 0.00 O ATOM 5 CB ALA A 1 -17.514 4.491 13.700 1.00 0.00 C ATOM 0 H1 ALA A 1 -16.735 5.647 16.577 1.00 0.00 H new ATOM 0 H2 ALA A 1 -15.329 5.572 15.626 1.00 0.00 H new ATOM 0 H3 ALA A 1 -16.722 6.333 15.023 1.00 0.00 H new ATOM 0 HA ALA A 1 -17.542 3.812 15.721 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -17.843 3.535 13.293 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -18.377 5.141 13.842 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -16.817 4.960 13.006 1.00 0.00 H new ATOM 11 N ALA A 2 -15.938 2.039 14.698 1.00 0.00 N ATOM 12 CA ALA A 2 -14.896 1.044 14.514 1.00 0.00 C ATOM 13 C ALA A 2 -14.935 0.490 13.094 1.00 0.00 C ATOM 14 O ALA A 2 -15.868 -0.224 12.729 1.00 0.00 O ATOM 15 CB ALA A 2 -15.040 -0.080 15.528 1.00 0.00 C ATOM 0 H ALA A 2 -16.887 1.667 14.680 1.00 0.00 H new ATOM 0 HA ALA A 2 -13.931 1.525 14.673 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -14.250 -0.814 15.372 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -14.963 0.327 16.536 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -16.011 -0.560 15.404 1.00 0.00 H new ATOM 21 N PRO A 3 -13.937 0.838 12.268 1.00 0.00 N ATOM 22 CA PRO A 3 -13.860 0.369 10.883 1.00 0.00 C ATOM 23 C PRO A 3 -13.465 -1.103 10.787 1.00 0.00 C ATOM 24 O PRO A 3 -12.875 -1.664 11.713 1.00 0.00 O ATOM 25 CB PRO A 3 -12.778 1.256 10.267 1.00 0.00 C ATOM 26 CG PRO A 3 -11.912 1.652 11.411 1.00 0.00 C ATOM 27 CD PRO A 3 -12.810 1.723 12.616 1.00 0.00 C ATOM 0 HA PRO A 3 -14.823 0.436 10.377 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -12.210 0.717 9.509 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -13.212 2.129 9.779 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -11.113 0.926 11.564 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -11.436 2.615 11.223 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -12.298 1.384 13.517 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -13.146 2.743 12.805 1.00 0.00 H new ATOM 35 N THR A 4 -13.778 -1.717 9.661 1.00 0.00 N ATOM 36 CA THR A 4 -13.472 -3.118 9.440 1.00 0.00 C ATOM 37 C THR A 4 -12.381 -3.278 8.382 1.00 0.00 C ATOM 38 O THR A 4 -12.629 -3.104 7.189 1.00 0.00 O ATOM 39 CB THR A 4 -14.735 -3.886 8.998 1.00 0.00 C ATOM 40 OG1 THR A 4 -15.864 -3.465 9.778 1.00 0.00 O ATOM 41 CG2 THR A 4 -14.541 -5.391 9.140 1.00 0.00 C ATOM 0 H THR A 4 -14.248 -1.262 8.879 1.00 0.00 H new ATOM 0 HA THR A 4 -13.112 -3.532 10.382 1.00 0.00 H new ATOM 0 HB THR A 4 -14.916 -3.662 7.947 1.00 0.00 H new ATOM 0 HG1 THR A 4 -16.662 -3.956 9.490 1.00 0.00 H new ATOM 0 HG21 THR A 4 -15.447 -5.906 8.821 1.00 0.00 H new ATOM 0 HG22 THR A 4 -13.704 -5.710 8.519 1.00 0.00 H new ATOM 0 HG23 THR A 4 -14.333 -5.634 10.182 1.00 0.00 H new ATOM 49 N ALA A 5 -11.170 -3.586 8.824 1.00 0.00 N ATOM 50 CA ALA A 5 -10.051 -3.775 7.913 1.00 0.00 C ATOM 51 C ALA A 5 -9.869 -5.256 7.605 1.00 0.00 C ATOM 52 O ALA A 5 -9.280 -5.999 8.391 1.00 0.00 O ATOM 53 CB ALA A 5 -8.777 -3.188 8.500 1.00 0.00 C ATOM 0 H ALA A 5 -10.937 -3.710 9.809 1.00 0.00 H new ATOM 0 HA ALA A 5 -10.267 -3.251 6.982 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -7.952 -3.340 7.804 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -8.914 -2.121 8.673 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -8.550 -3.683 9.444 1.00 0.00 H new ATOM 59 N THR A 6 -10.388 -5.681 6.466 1.00 0.00 N ATOM 60 CA THR A 6 -10.301 -7.071 6.051 1.00 0.00 C ATOM 61 C THR A 6 -9.237 -7.262 4.972 1.00 0.00 C ATOM 62 O THR A 6 -9.543 -7.605 3.830 1.00 0.00 O ATOM 63 CB THR A 6 -11.665 -7.562 5.531 1.00 0.00 C ATOM 64 OG1 THR A 6 -12.623 -6.493 5.586 1.00 0.00 O ATOM 65 CG2 THR A 6 -12.161 -8.734 6.363 1.00 0.00 C ATOM 0 H THR A 6 -10.879 -5.077 5.806 1.00 0.00 H new ATOM 0 HA THR A 6 -10.015 -7.660 6.922 1.00 0.00 H new ATOM 0 HB THR A 6 -11.545 -7.889 4.498 1.00 0.00 H new ATOM 0 HG1 THR A 6 -13.488 -6.811 5.252 1.00 0.00 H new ATOM 0 HG21 THR A 6 -13.126 -9.068 5.982 1.00 0.00 H new ATOM 0 HG22 THR A 6 -11.444 -9.552 6.303 1.00 0.00 H new ATOM 0 HG23 THR A 6 -12.270 -8.423 7.402 1.00 0.00 H new ATOM 73 N VAL A 7 -7.986 -7.033 5.338 1.00 0.00 N ATOM 74 CA VAL A 7 -6.878 -7.181 4.403 1.00 0.00 C ATOM 75 C VAL A 7 -6.243 -8.564 4.519 1.00 0.00 C ATOM 76 O VAL A 7 -6.067 -9.088 5.623 1.00 0.00 O ATOM 77 CB VAL A 7 -5.798 -6.098 4.629 1.00 0.00 C ATOM 78 CG1 VAL A 7 -6.248 -4.768 4.041 1.00 0.00 C ATOM 79 CG2 VAL A 7 -5.480 -5.947 6.113 1.00 0.00 C ATOM 0 H VAL A 7 -7.710 -6.744 6.276 1.00 0.00 H new ATOM 0 HA VAL A 7 -7.289 -7.060 3.401 1.00 0.00 H new ATOM 0 HB VAL A 7 -4.888 -6.413 4.119 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -5.477 -4.016 4.209 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -6.417 -4.882 2.970 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -7.173 -4.452 4.523 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -4.718 -5.179 6.245 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -6.383 -5.658 6.651 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -5.112 -6.895 6.505 1.00 0.00 H new ATOM 89 N THR A 8 -5.912 -9.156 3.378 1.00 0.00 N ATOM 90 CA THR A 8 -5.297 -10.476 3.342 1.00 0.00 C ATOM 91 C THR A 8 -3.813 -10.368 2.995 1.00 0.00 C ATOM 92 O THR A 8 -3.455 -9.965 1.888 1.00 0.00 O ATOM 93 CB THR A 8 -5.996 -11.378 2.309 1.00 0.00 C ATOM 94 OG1 THR A 8 -7.337 -10.917 2.095 1.00 0.00 O ATOM 95 CG2 THR A 8 -6.027 -12.824 2.779 1.00 0.00 C ATOM 0 H THR A 8 -6.061 -8.739 2.459 1.00 0.00 H new ATOM 0 HA THR A 8 -5.405 -10.919 4.332 1.00 0.00 H new ATOM 0 HB THR A 8 -5.433 -11.329 1.377 1.00 0.00 H new ATOM 0 HG1 THR A 8 -7.939 -11.686 2.015 1.00 0.00 H new ATOM 0 HG21 THR A 8 -6.526 -13.439 2.030 1.00 0.00 H new ATOM 0 HG22 THR A 8 -5.007 -13.182 2.922 1.00 0.00 H new ATOM 0 HG23 THR A 8 -6.570 -12.888 3.722 1.00 0.00 H new ATOM 103 N PRO A 9 -2.929 -10.707 3.946 1.00 0.00 N ATOM 104 CA PRO A 9 -1.485 -10.639 3.740 1.00 0.00 C ATOM 105 C PRO A 9 -0.934 -11.842 2.972 1.00 0.00 C ATOM 106 O PRO A 9 -1.311 -12.987 3.228 1.00 0.00 O ATOM 107 CB PRO A 9 -0.935 -10.615 5.165 1.00 0.00 C ATOM 108 CG PRO A 9 -1.934 -11.368 5.977 1.00 0.00 C ATOM 109 CD PRO A 9 -3.271 -11.180 5.303 1.00 0.00 C ATOM 0 HA PRO A 9 -1.201 -9.777 3.137 1.00 0.00 H new ATOM 0 HB2 PRO A 9 0.048 -11.082 5.216 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -0.822 -9.593 5.527 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -1.672 -12.425 6.030 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -1.961 -10.995 7.001 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -3.835 -12.112 5.270 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -3.886 -10.454 5.834 1.00 0.00 H new ATOM 117 N SER A 10 -0.036 -11.570 2.035 1.00 0.00 N ATOM 118 CA SER A 10 0.583 -12.611 1.225 1.00 0.00 C ATOM 119 C SER A 10 1.796 -13.208 1.942 1.00 0.00 C ATOM 120 O SER A 10 2.917 -13.158 1.443 1.00 0.00 O ATOM 121 CB SER A 10 0.996 -12.020 -0.123 1.00 0.00 C ATOM 122 OG SER A 10 0.072 -11.025 -0.535 1.00 0.00 O ATOM 0 H SER A 10 0.283 -10.626 1.815 1.00 0.00 H new ATOM 0 HA SER A 10 -0.137 -13.413 1.064 1.00 0.00 H new ATOM 0 HB2 SER A 10 1.994 -11.588 -0.047 1.00 0.00 H new ATOM 0 HB3 SER A 10 1.047 -12.810 -0.872 1.00 0.00 H new ATOM 0 HG SER A 10 0.013 -11.018 -1.513 1.00 0.00 H new ATOM 128 N SER A 11 1.565 -13.765 3.117 1.00 0.00 N ATOM 129 CA SER A 11 2.631 -14.360 3.902 1.00 0.00 C ATOM 130 C SER A 11 2.998 -15.747 3.374 1.00 0.00 C ATOM 131 O SER A 11 2.158 -16.646 3.347 1.00 0.00 O ATOM 132 CB SER A 11 2.185 -14.450 5.357 1.00 0.00 C ATOM 133 OG SER A 11 1.379 -13.333 5.702 1.00 0.00 O ATOM 0 H SER A 11 0.643 -13.818 3.550 1.00 0.00 H new ATOM 0 HA SER A 11 3.519 -13.732 3.825 1.00 0.00 H new ATOM 0 HB2 SER A 11 1.625 -15.372 5.515 1.00 0.00 H new ATOM 0 HB3 SER A 11 3.058 -14.491 6.009 1.00 0.00 H new ATOM 0 HG SER A 11 1.100 -13.408 6.638 1.00 0.00 H new ATOM 139 N GLY A 12 4.242 -15.904 2.929 1.00 0.00 N ATOM 140 CA GLY A 12 4.696 -17.184 2.421 1.00 0.00 C ATOM 141 C GLY A 12 4.622 -17.276 0.912 1.00 0.00 C ATOM 142 O GLY A 12 5.108 -18.235 0.316 1.00 0.00 O ATOM 0 H GLY A 12 4.944 -15.164 2.912 1.00 0.00 H new ATOM 0 HA2 GLY A 12 5.724 -17.353 2.741 1.00 0.00 H new ATOM 0 HA3 GLY A 12 4.092 -17.979 2.859 1.00 0.00 H new ATOM 146 N LEU A 13 4.029 -16.272 0.289 1.00 0.00 N ATOM 147 CA LEU A 13 3.890 -16.255 -1.158 1.00 0.00 C ATOM 148 C LEU A 13 5.019 -15.448 -1.783 1.00 0.00 C ATOM 149 O LEU A 13 5.552 -14.538 -1.157 1.00 0.00 O ATOM 150 CB LEU A 13 2.531 -15.675 -1.548 1.00 0.00 C ATOM 151 CG LEU A 13 1.339 -16.589 -1.243 1.00 0.00 C ATOM 152 CD1 LEU A 13 0.108 -15.774 -0.870 1.00 0.00 C ATOM 153 CD2 LEU A 13 1.048 -17.486 -2.440 1.00 0.00 C ATOM 0 H LEU A 13 3.636 -15.458 0.762 1.00 0.00 H new ATOM 0 HA LEU A 13 3.949 -17.277 -1.533 1.00 0.00 H new ATOM 0 HB2 LEU A 13 2.390 -14.729 -1.025 1.00 0.00 H new ATOM 0 HB3 LEU A 13 2.538 -15.452 -2.615 1.00 0.00 H new ATOM 0 HG LEU A 13 1.595 -17.216 -0.389 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -0.723 -16.447 -0.658 1.00 0.00 H new ATOM 0 HD12 LEU A 13 0.323 -15.174 0.014 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -0.158 -15.117 -1.698 1.00 0.00 H new ATOM 0 HD21 LEU A 13 0.199 -18.132 -2.213 1.00 0.00 H new ATOM 0 HD22 LEU A 13 0.813 -16.870 -3.308 1.00 0.00 H new ATOM 0 HD23 LEU A 13 1.923 -18.099 -2.656 1.00 0.00 H new ATOM 165 N SER A 14 5.395 -15.803 -3.005 1.00 0.00 N ATOM 166 CA SER A 14 6.472 -15.112 -3.707 1.00 0.00 C ATOM 167 C SER A 14 5.992 -13.795 -4.319 1.00 0.00 C ATOM 168 O SER A 14 4.862 -13.365 -4.091 1.00 0.00 O ATOM 169 CB SER A 14 7.042 -16.012 -4.804 1.00 0.00 C ATOM 170 OG SER A 14 7.229 -17.338 -4.337 1.00 0.00 O ATOM 0 H SER A 14 4.970 -16.566 -3.532 1.00 0.00 H new ATOM 0 HA SER A 14 7.249 -14.882 -2.978 1.00 0.00 H new ATOM 0 HB2 SER A 14 6.367 -16.017 -5.660 1.00 0.00 H new ATOM 0 HB3 SER A 14 7.993 -15.609 -5.151 1.00 0.00 H new ATOM 0 HG SER A 14 7.593 -17.891 -5.060 1.00 0.00 H new ATOM 176 N ASP A 15 6.856 -13.159 -5.102 1.00 0.00 N ATOM 177 CA ASP A 15 6.514 -11.902 -5.750 1.00 0.00 C ATOM 178 C ASP A 15 5.493 -12.137 -6.854 1.00 0.00 C ATOM 179 O ASP A 15 5.376 -13.244 -7.379 1.00 0.00 O ATOM 180 CB ASP A 15 7.761 -11.233 -6.329 1.00 0.00 C ATOM 181 CG ASP A 15 8.286 -11.940 -7.564 1.00 0.00 C ATOM 182 OD1 ASP A 15 9.102 -12.875 -7.414 1.00 0.00 O ATOM 183 OD2 ASP A 15 7.895 -11.562 -8.687 1.00 0.00 O ATOM 0 H ASP A 15 7.798 -13.495 -5.302 1.00 0.00 H new ATOM 0 HA ASP A 15 6.081 -11.240 -5.000 1.00 0.00 H new ATOM 0 HB2 ASP A 15 7.530 -10.198 -6.579 1.00 0.00 H new ATOM 0 HB3 ASP A 15 8.542 -11.210 -5.569 1.00 0.00 H new ATOM 188 N GLY A 16 4.761 -11.094 -7.206 1.00 0.00 N ATOM 189 CA GLY A 16 3.750 -11.210 -8.236 1.00 0.00 C ATOM 190 C GLY A 16 2.407 -11.619 -7.666 1.00 0.00 C ATOM 191 O GLY A 16 1.403 -11.656 -8.379 1.00 0.00 O ATOM 0 H GLY A 16 4.849 -10.164 -6.795 1.00 0.00 H new ATOM 0 HA2 GLY A 16 3.649 -10.257 -8.755 1.00 0.00 H new ATOM 0 HA3 GLY A 16 4.069 -11.944 -8.977 1.00 0.00 H new ATOM 195 N THR A 17 2.393 -11.931 -6.378 1.00 0.00 N ATOM 196 CA THR A 17 1.172 -12.334 -5.706 1.00 0.00 C ATOM 197 C THR A 17 0.241 -11.141 -5.530 1.00 0.00 C ATOM 198 O THR A 17 0.685 -10.021 -5.267 1.00 0.00 O ATOM 199 CB THR A 17 1.475 -12.962 -4.331 1.00 0.00 C ATOM 200 OG1 THR A 17 2.384 -14.055 -4.496 1.00 0.00 O ATOM 201 CG2 THR A 17 0.204 -13.462 -3.657 1.00 0.00 C ATOM 0 H THR A 17 3.218 -11.912 -5.778 1.00 0.00 H new ATOM 0 HA THR A 17 0.683 -13.083 -6.329 1.00 0.00 H new ATOM 0 HB THR A 17 1.919 -12.194 -3.698 1.00 0.00 H new ATOM 0 HG1 THR A 17 3.222 -13.857 -4.028 1.00 0.00 H new ATOM 0 HG21 THR A 17 0.453 -13.899 -2.690 1.00 0.00 H new ATOM 0 HG22 THR A 17 -0.483 -12.628 -3.513 1.00 0.00 H new ATOM 0 HG23 THR A 17 -0.268 -14.217 -4.286 1.00 0.00 H new ATOM 209 N VAL A 18 -1.046 -11.387 -5.694 1.00 0.00 N ATOM 210 CA VAL A 18 -2.043 -10.348 -5.555 1.00 0.00 C ATOM 211 C VAL A 18 -2.460 -10.183 -4.099 1.00 0.00 C ATOM 212 O VAL A 18 -2.986 -11.111 -3.481 1.00 0.00 O ATOM 213 CB VAL A 18 -3.286 -10.652 -6.411 1.00 0.00 C ATOM 214 CG1 VAL A 18 -4.345 -9.584 -6.215 1.00 0.00 C ATOM 215 CG2 VAL A 18 -2.906 -10.763 -7.880 1.00 0.00 C ATOM 0 H VAL A 18 -1.425 -12.305 -5.925 1.00 0.00 H new ATOM 0 HA VAL A 18 -1.592 -9.419 -5.904 1.00 0.00 H new ATOM 0 HB VAL A 18 -3.700 -11.607 -6.088 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -5.215 -9.817 -6.829 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -4.639 -9.551 -5.166 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -3.943 -8.615 -6.509 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -3.796 -10.978 -8.471 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -2.467 -9.823 -8.214 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -2.182 -11.568 -8.009 1.00 0.00 H new ATOM 225 N VAL A 19 -2.189 -9.007 -3.554 1.00 0.00 N ATOM 226 CA VAL A 19 -2.551 -8.692 -2.182 1.00 0.00 C ATOM 227 C VAL A 19 -3.982 -8.166 -2.152 1.00 0.00 C ATOM 228 O VAL A 19 -4.292 -7.157 -2.792 1.00 0.00 O ATOM 229 CB VAL A 19 -1.607 -7.636 -1.560 1.00 0.00 C ATOM 230 CG1 VAL A 19 -1.885 -7.482 -0.070 1.00 0.00 C ATOM 231 CG2 VAL A 19 -0.147 -8.005 -1.803 1.00 0.00 C ATOM 0 H VAL A 19 -1.715 -8.250 -4.047 1.00 0.00 H new ATOM 0 HA VAL A 19 -2.462 -9.605 -1.594 1.00 0.00 H new ATOM 0 HB VAL A 19 -1.798 -6.678 -2.044 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -1.212 -6.735 0.350 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -2.917 -7.163 0.077 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -1.726 -8.437 0.430 1.00 0.00 H new ATOM 0 HG21 VAL A 19 0.499 -7.248 -1.357 1.00 0.00 H new ATOM 0 HG22 VAL A 19 0.063 -8.974 -1.351 1.00 0.00 H new ATOM 0 HG23 VAL A 19 0.042 -8.056 -2.875 1.00 0.00 H new ATOM 241 N LYS A 20 -4.850 -8.855 -1.427 1.00 0.00 N ATOM 242 CA LYS A 20 -6.244 -8.456 -1.337 1.00 0.00 C ATOM 243 C LYS A 20 -6.434 -7.367 -0.289 1.00 0.00 C ATOM 244 O LYS A 20 -6.194 -7.578 0.904 1.00 0.00 O ATOM 245 CB LYS A 20 -7.121 -9.661 -1.004 1.00 0.00 C ATOM 246 CG LYS A 20 -8.608 -9.345 -0.994 1.00 0.00 C ATOM 247 CD LYS A 20 -9.436 -10.566 -0.643 1.00 0.00 C ATOM 248 CE LYS A 20 -9.353 -11.623 -1.731 1.00 0.00 C ATOM 249 NZ LYS A 20 -9.955 -12.905 -1.298 1.00 0.00 N ATOM 0 H LYS A 20 -4.613 -9.692 -0.894 1.00 0.00 H new ATOM 0 HA LYS A 20 -6.543 -8.056 -2.306 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -6.930 -10.451 -1.731 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -6.834 -10.050 -0.027 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -8.807 -8.551 -0.274 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -8.908 -8.971 -1.973 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -9.087 -10.985 0.301 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -10.476 -10.273 -0.497 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -9.863 -11.265 -2.625 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -8.310 -11.784 -2.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -9.879 -13.601 -2.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -9.452 -13.259 -0.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -10.957 -12.756 -1.063 1.00 0.00 H new ATOM 263 N VAL A 21 -6.868 -6.204 -0.742 1.00 0.00 N ATOM 264 CA VAL A 21 -7.096 -5.078 0.140 1.00 0.00 C ATOM 265 C VAL A 21 -8.580 -4.744 0.187 1.00 0.00 C ATOM 266 O VAL A 21 -9.140 -4.244 -0.788 1.00 0.00 O ATOM 267 CB VAL A 21 -6.305 -3.834 -0.313 1.00 0.00 C ATOM 268 CG1 VAL A 21 -6.528 -2.683 0.655 1.00 0.00 C ATOM 269 CG2 VAL A 21 -4.821 -4.160 -0.438 1.00 0.00 C ATOM 0 H VAL A 21 -7.070 -6.016 -1.724 1.00 0.00 H new ATOM 0 HA VAL A 21 -6.749 -5.361 1.134 1.00 0.00 H new ATOM 0 HB VAL A 21 -6.668 -3.529 -1.295 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -5.963 -1.812 0.322 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -7.589 -2.436 0.688 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -6.192 -2.974 1.650 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -4.279 -3.270 -0.759 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -4.438 -4.490 0.528 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -4.683 -4.953 -1.173 1.00 0.00 H new ATOM 279 N ALA A 22 -9.216 -5.049 1.309 1.00 0.00 N ATOM 280 CA ALA A 22 -10.633 -4.781 1.482 1.00 0.00 C ATOM 281 C ALA A 22 -10.887 -4.050 2.794 1.00 0.00 C ATOM 282 O ALA A 22 -10.509 -4.522 3.867 1.00 0.00 O ATOM 283 CB ALA A 22 -11.428 -6.079 1.434 1.00 0.00 C ATOM 0 H ALA A 22 -8.769 -5.484 2.116 1.00 0.00 H new ATOM 0 HA ALA A 22 -10.963 -4.140 0.664 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -12.488 -5.861 1.565 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -11.274 -6.565 0.470 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -11.092 -6.741 2.232 1.00 0.00 H new ATOM 289 N GLY A 23 -11.511 -2.888 2.700 1.00 0.00 N ATOM 290 CA GLY A 23 -11.811 -2.108 3.878 1.00 0.00 C ATOM 291 C GLY A 23 -13.262 -1.689 3.925 1.00 0.00 C ATOM 292 O GLY A 23 -13.827 -1.264 2.918 1.00 0.00 O ATOM 0 H GLY A 23 -11.817 -2.469 1.822 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -11.573 -2.690 4.768 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -11.177 -1.222 3.897 1.00 0.00 H new ATOM 296 N ALA A 24 -13.870 -1.827 5.090 1.00 0.00 N ATOM 297 CA ALA A 24 -15.260 -1.449 5.282 1.00 0.00 C ATOM 298 C ALA A 24 -15.375 -0.478 6.446 1.00 0.00 C ATOM 299 O ALA A 24 -14.538 -0.480 7.349 1.00 0.00 O ATOM 300 CB ALA A 24 -16.117 -2.679 5.520 1.00 0.00 C ATOM 0 H ALA A 24 -13.419 -2.201 5.924 1.00 0.00 H new ATOM 0 HA ALA A 24 -15.621 -0.956 4.379 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -17.155 -2.377 5.662 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -16.047 -3.344 4.659 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -15.766 -3.200 6.410 1.00 0.00 H new ATOM 306 N GLY A 25 -16.403 0.354 6.423 1.00 0.00 N ATOM 307 CA GLY A 25 -16.582 1.324 7.485 1.00 0.00 C ATOM 308 C GLY A 25 -15.651 2.505 7.317 1.00 0.00 C ATOM 309 O GLY A 25 -15.206 3.108 8.294 1.00 0.00 O ATOM 0 H GLY A 25 -17.115 0.377 5.693 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -17.615 1.671 7.492 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -16.399 0.849 8.449 1.00 0.00 H new ATOM 313 N LEU A 26 -15.353 2.827 6.065 1.00 0.00 N ATOM 314 CA LEU A 26 -14.464 3.932 5.745 1.00 0.00 C ATOM 315 C LEU A 26 -15.273 5.197 5.465 1.00 0.00 C ATOM 316 O LEU A 26 -16.413 5.326 5.916 1.00 0.00 O ATOM 317 CB LEU A 26 -13.592 3.569 4.539 1.00 0.00 C ATOM 318 CG LEU A 26 -12.780 2.281 4.691 1.00 0.00 C ATOM 319 CD1 LEU A 26 -12.043 1.961 3.403 1.00 0.00 C ATOM 320 CD2 LEU A 26 -11.796 2.402 5.842 1.00 0.00 C ATOM 0 H LEU A 26 -15.718 2.333 5.250 1.00 0.00 H new ATOM 0 HA LEU A 26 -13.814 4.124 6.598 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -14.232 3.475 3.662 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -12.905 4.393 4.346 1.00 0.00 H new ATOM 0 HG LEU A 26 -13.471 1.466 4.909 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -11.471 1.042 3.530 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -12.763 1.832 2.595 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -11.366 2.779 3.159 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -11.228 1.476 5.934 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -11.113 3.229 5.651 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -12.340 2.587 6.768 1.00 0.00 H new ATOM 332 N GLN A 27 -14.691 6.129 4.723 1.00 0.00 N ATOM 333 CA GLN A 27 -15.370 7.374 4.401 1.00 0.00 C ATOM 334 C GLN A 27 -15.833 7.358 2.954 1.00 0.00 C ATOM 335 O GLN A 27 -15.025 7.500 2.036 1.00 0.00 O ATOM 336 CB GLN A 27 -14.440 8.563 4.642 1.00 0.00 C ATOM 337 CG GLN A 27 -15.153 9.904 4.643 1.00 0.00 C ATOM 338 CD GLN A 27 -16.172 10.018 5.759 1.00 0.00 C ATOM 339 OE1 GLN A 27 -16.041 9.380 6.806 1.00 0.00 O ATOM 340 NE2 GLN A 27 -17.187 10.834 5.547 1.00 0.00 N ATOM 0 H GLN A 27 -13.752 6.046 4.334 1.00 0.00 H new ATOM 0 HA GLN A 27 -16.241 7.474 5.049 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -13.934 8.430 5.598 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -13.669 8.572 3.872 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -14.418 10.703 4.743 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -15.651 10.048 3.684 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -17.257 11.343 4.666 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -17.902 10.956 6.264 1.00 0.00 H new ATOM 349 N ALA A 28 -17.127 7.172 2.751 1.00 0.00 N ATOM 350 CA ALA A 28 -17.688 7.138 1.407 1.00 0.00 C ATOM 351 C ALA A 28 -17.442 8.458 0.679 1.00 0.00 C ATOM 352 O ALA A 28 -17.821 9.524 1.166 1.00 0.00 O ATOM 353 CB ALA A 28 -19.179 6.839 1.458 1.00 0.00 C ATOM 0 H ALA A 28 -17.809 7.042 3.498 1.00 0.00 H new ATOM 0 HA ALA A 28 -17.188 6.342 0.855 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -19.581 6.818 0.445 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -19.340 5.871 1.933 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -19.686 7.614 2.033 1.00 0.00 H new ATOM 359 N GLY A 29 -16.797 8.382 -0.480 1.00 0.00 N ATOM 360 CA GLY A 29 -16.517 9.581 -1.249 1.00 0.00 C ATOM 361 C GLY A 29 -15.041 9.939 -1.287 1.00 0.00 C ATOM 362 O GLY A 29 -14.655 10.916 -1.927 1.00 0.00 O ATOM 0 H GLY A 29 -16.464 7.514 -0.900 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -16.877 9.443 -2.269 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -17.075 10.415 -0.824 1.00 0.00 H new ATOM 366 N THR A 30 -14.210 9.160 -0.604 1.00 0.00 N ATOM 367 CA THR A 30 -12.775 9.430 -0.587 1.00 0.00 C ATOM 368 C THR A 30 -11.996 8.344 -1.326 1.00 0.00 C ATOM 369 O THR A 30 -12.520 7.257 -1.583 1.00 0.00 O ATOM 370 CB THR A 30 -12.235 9.553 0.855 1.00 0.00 C ATOM 371 OG1 THR A 30 -12.626 8.414 1.630 1.00 0.00 O ATOM 372 CG2 THR A 30 -12.747 10.820 1.526 1.00 0.00 C ATOM 0 H THR A 30 -14.499 8.346 -0.061 1.00 0.00 H new ATOM 0 HA THR A 30 -12.632 10.382 -1.098 1.00 0.00 H new ATOM 0 HB THR A 30 -11.147 9.601 0.800 1.00 0.00 H new ATOM 0 HG1 THR A 30 -13.602 8.399 1.720 1.00 0.00 H new ATOM 0 HG21 THR A 30 -12.351 10.880 2.540 1.00 0.00 H new ATOM 0 HG22 THR A 30 -12.421 11.690 0.957 1.00 0.00 H new ATOM 0 HG23 THR A 30 -13.836 10.798 1.563 1.00 0.00 H new ATOM 380 N ALA A 31 -10.753 8.648 -1.674 1.00 0.00 N ATOM 381 CA ALA A 31 -9.897 7.702 -2.379 1.00 0.00 C ATOM 382 C ALA A 31 -8.721 7.306 -1.501 1.00 0.00 C ATOM 383 O ALA A 31 -8.209 8.123 -0.733 1.00 0.00 O ATOM 384 CB ALA A 31 -9.403 8.299 -3.689 1.00 0.00 C ATOM 0 H ALA A 31 -10.313 9.547 -1.479 1.00 0.00 H new ATOM 0 HA ALA A 31 -10.481 6.810 -2.608 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -8.766 7.577 -4.200 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -10.256 8.543 -4.322 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -8.833 9.205 -3.484 1.00 0.00 H new ATOM 390 N TYR A 32 -8.291 6.058 -1.618 1.00 0.00 N ATOM 391 CA TYR A 32 -7.184 5.555 -0.821 1.00 0.00 C ATOM 392 C TYR A 32 -6.072 5.004 -1.703 1.00 0.00 C ATOM 393 O TYR A 32 -6.314 4.173 -2.583 1.00 0.00 O ATOM 394 CB TYR A 32 -7.676 4.466 0.139 1.00 0.00 C ATOM 395 CG TYR A 32 -8.902 4.871 0.925 1.00 0.00 C ATOM 396 CD1 TYR A 32 -8.798 5.729 2.010 1.00 0.00 C ATOM 397 CD2 TYR A 32 -10.164 4.409 0.571 1.00 0.00 C ATOM 398 CE1 TYR A 32 -9.915 6.124 2.719 1.00 0.00 C ATOM 399 CE2 TYR A 32 -11.287 4.795 1.279 1.00 0.00 C ATOM 400 CZ TYR A 32 -11.157 5.653 2.352 1.00 0.00 C ATOM 401 OH TYR A 32 -12.273 6.060 3.049 1.00 0.00 O ATOM 0 H TYR A 32 -8.694 5.374 -2.259 1.00 0.00 H new ATOM 0 HA TYR A 32 -6.780 6.388 -0.246 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -7.900 3.564 -0.430 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -6.874 4.214 0.833 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -7.826 6.095 2.306 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -10.269 3.739 -0.269 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -9.816 6.798 3.557 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -12.261 4.427 0.994 1.00 0.00 H new ATOM 0 HH TYR A 32 -12.584 6.919 2.695 1.00 0.00 H new ATOM 411 N ASP A 33 -4.859 5.476 -1.462 1.00 0.00 N ATOM 412 CA ASP A 33 -3.692 5.029 -2.209 1.00 0.00 C ATOM 413 C ASP A 33 -3.028 3.887 -1.454 1.00 0.00 C ATOM 414 O ASP A 33 -2.496 4.076 -0.354 1.00 0.00 O ATOM 415 CB ASP A 33 -2.704 6.186 -2.414 1.00 0.00 C ATOM 416 CG ASP A 33 -1.435 5.768 -3.143 1.00 0.00 C ATOM 417 OD1 ASP A 33 -1.471 4.787 -3.910 1.00 0.00 O ATOM 418 OD2 ASP A 33 -0.393 6.433 -2.953 1.00 0.00 O ATOM 0 H ASP A 33 -4.655 6.175 -0.748 1.00 0.00 H new ATOM 0 HA ASP A 33 -4.005 4.680 -3.193 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -3.195 6.979 -2.978 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -2.437 6.604 -1.443 1.00 0.00 H new ATOM 423 N VAL A 34 -3.089 2.699 -2.034 1.00 0.00 N ATOM 424 CA VAL A 34 -2.519 1.515 -1.412 1.00 0.00 C ATOM 425 C VAL A 34 -1.407 0.920 -2.270 1.00 0.00 C ATOM 426 O VAL A 34 -1.534 0.810 -3.490 1.00 0.00 O ATOM 427 CB VAL A 34 -3.602 0.438 -1.162 1.00 0.00 C ATOM 428 CG1 VAL A 34 -3.033 -0.729 -0.374 1.00 0.00 C ATOM 429 CG2 VAL A 34 -4.799 1.035 -0.433 1.00 0.00 C ATOM 0 H VAL A 34 -3.529 2.529 -2.938 1.00 0.00 H new ATOM 0 HA VAL A 34 -2.100 1.828 -0.456 1.00 0.00 H new ATOM 0 HB VAL A 34 -3.937 0.068 -2.131 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -3.813 -1.473 -0.211 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -2.213 -1.180 -0.933 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -2.664 -0.373 0.588 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -5.548 0.260 -0.268 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -4.476 1.438 0.527 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -5.231 1.834 -1.036 1.00 0.00 H new ATOM 439 N GLY A 35 -0.306 0.573 -1.622 1.00 0.00 N ATOM 440 CA GLY A 35 0.817 -0.030 -2.307 1.00 0.00 C ATOM 441 C GLY A 35 1.672 -0.824 -1.348 1.00 0.00 C ATOM 442 O GLY A 35 1.332 -0.933 -0.173 1.00 0.00 O ATOM 0 H GLY A 35 -0.170 0.701 -0.619 1.00 0.00 H new ATOM 0 HA2 GLY A 35 0.455 -0.682 -3.102 1.00 0.00 H new ATOM 0 HA3 GLY A 35 1.419 0.746 -2.780 1.00 0.00 H new ATOM 446 N GLN A 36 2.781 -1.371 -1.819 1.00 0.00 N ATOM 447 CA GLN A 36 3.663 -2.138 -0.948 1.00 0.00 C ATOM 448 C GLN A 36 4.648 -1.193 -0.261 1.00 0.00 C ATOM 449 O GLN A 36 5.851 -1.437 -0.213 1.00 0.00 O ATOM 450 CB GLN A 36 4.388 -3.248 -1.727 1.00 0.00 C ATOM 451 CG GLN A 36 5.374 -2.757 -2.778 1.00 0.00 C ATOM 452 CD GLN A 36 5.988 -3.896 -3.572 1.00 0.00 C ATOM 453 OE1 GLN A 36 5.501 -4.253 -4.639 1.00 0.00 O ATOM 454 NE2 GLN A 36 7.054 -4.484 -3.050 1.00 0.00 N ATOM 0 H GLN A 36 3.091 -1.301 -2.788 1.00 0.00 H new ATOM 0 HA GLN A 36 3.065 -2.632 -0.182 1.00 0.00 H new ATOM 0 HB2 GLN A 36 4.921 -3.880 -1.017 1.00 0.00 H new ATOM 0 HB3 GLN A 36 3.642 -3.875 -2.215 1.00 0.00 H new ATOM 0 HG2 GLN A 36 4.865 -2.076 -3.460 1.00 0.00 H new ATOM 0 HG3 GLN A 36 6.166 -2.188 -2.291 1.00 0.00 H new ATOM 0 HE21 GLN A 36 7.431 -4.159 -2.160 1.00 0.00 H new ATOM 0 HE22 GLN A 36 7.498 -5.262 -3.538 1.00 0.00 H new ATOM 463 N CYS A 37 4.099 -0.113 0.281 1.00 0.00 N ATOM 464 CA CYS A 37 4.873 0.915 0.961 1.00 0.00 C ATOM 465 C CYS A 37 5.592 0.374 2.191 1.00 0.00 C ATOM 466 O CYS A 37 5.015 0.280 3.278 1.00 0.00 O ATOM 467 CB CYS A 37 3.953 2.064 1.365 1.00 0.00 C ATOM 468 SG CYS A 37 2.469 2.218 0.318 1.00 0.00 S ATOM 0 H CYS A 37 3.097 0.074 0.260 1.00 0.00 H new ATOM 0 HA CYS A 37 5.635 1.270 0.266 1.00 0.00 H new ATOM 0 HB2 CYS A 37 3.643 1.923 2.400 1.00 0.00 H new ATOM 0 HB3 CYS A 37 4.514 2.998 1.325 1.00 0.00 H new ATOM 473 N ALA A 38 6.855 0.028 2.011 1.00 0.00 N ATOM 474 CA ALA A 38 7.670 -0.498 3.090 1.00 0.00 C ATOM 475 C ALA A 38 8.717 0.525 3.504 1.00 0.00 C ATOM 476 O ALA A 38 8.706 1.665 3.030 1.00 0.00 O ATOM 477 CB ALA A 38 8.332 -1.802 2.666 1.00 0.00 C ATOM 0 H ALA A 38 7.341 0.103 1.118 1.00 0.00 H new ATOM 0 HA ALA A 38 7.028 -0.702 3.947 1.00 0.00 H new ATOM 0 HB1 ALA A 38 8.940 -2.185 3.486 1.00 0.00 H new ATOM 0 HB2 ALA A 38 7.565 -2.533 2.411 1.00 0.00 H new ATOM 0 HB3 ALA A 38 8.965 -1.623 1.797 1.00 0.00 H new ATOM 483 N TRP A 39 9.619 0.116 4.386 1.00 0.00 N ATOM 484 CA TRP A 39 10.680 0.992 4.862 1.00 0.00 C ATOM 485 C TRP A 39 11.646 1.309 3.726 1.00 0.00 C ATOM 486 O TRP A 39 12.454 0.466 3.335 1.00 0.00 O ATOM 487 CB TRP A 39 11.435 0.328 6.015 1.00 0.00 C ATOM 488 CG TRP A 39 11.385 1.104 7.296 1.00 0.00 C ATOM 489 CD1 TRP A 39 10.307 1.755 7.821 1.00 0.00 C ATOM 490 CD2 TRP A 39 12.460 1.296 8.220 1.00 0.00 C ATOM 491 NE1 TRP A 39 10.647 2.347 9.013 1.00 0.00 N ATOM 492 CE2 TRP A 39 11.964 2.078 9.280 1.00 0.00 C ATOM 493 CE3 TRP A 39 13.795 0.884 8.252 1.00 0.00 C ATOM 494 CZ2 TRP A 39 12.756 2.450 10.363 1.00 0.00 C ATOM 495 CZ3 TRP A 39 14.581 1.257 9.327 1.00 0.00 C ATOM 496 CH2 TRP A 39 14.059 2.033 10.368 1.00 0.00 C ATOM 0 H TRP A 39 9.636 -0.821 4.788 1.00 0.00 H new ATOM 0 HA TRP A 39 10.233 1.920 5.219 1.00 0.00 H new ATOM 0 HB2 TRP A 39 11.019 -0.665 6.186 1.00 0.00 H new ATOM 0 HB3 TRP A 39 12.477 0.191 5.724 1.00 0.00 H new ATOM 0 HD1 TRP A 39 9.329 1.799 7.366 1.00 0.00 H new ATOM 0 HE1 TRP A 39 10.022 2.897 9.603 1.00 0.00 H new ATOM 0 HE3 TRP A 39 14.205 0.285 7.452 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 12.356 3.046 11.170 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 15.614 0.944 9.364 1.00 0.00 H new ATOM 0 HH2 TRP A 39 14.699 2.309 11.193 1.00 0.00 H new ATOM 507 N VAL A 40 11.550 2.517 3.192 1.00 0.00 N ATOM 508 CA VAL A 40 12.412 2.937 2.098 1.00 0.00 C ATOM 509 C VAL A 40 13.737 3.464 2.648 1.00 0.00 C ATOM 510 O VAL A 40 14.773 3.415 1.978 1.00 0.00 O ATOM 511 CB VAL A 40 11.722 4.009 1.216 1.00 0.00 C ATOM 512 CG1 VAL A 40 11.780 5.389 1.848 1.00 0.00 C ATOM 513 CG2 VAL A 40 12.330 4.029 -0.177 1.00 0.00 C ATOM 0 H VAL A 40 10.883 3.225 3.499 1.00 0.00 H new ATOM 0 HA VAL A 40 12.610 2.070 1.468 1.00 0.00 H new ATOM 0 HB VAL A 40 10.670 3.735 1.134 1.00 0.00 H new ATOM 0 HG11 VAL A 40 11.285 6.109 1.196 1.00 0.00 H new ATOM 0 HG12 VAL A 40 11.276 5.368 2.814 1.00 0.00 H new ATOM 0 HG13 VAL A 40 12.821 5.682 1.988 1.00 0.00 H new ATOM 0 HG21 VAL A 40 11.832 4.788 -0.780 1.00 0.00 H new ATOM 0 HG22 VAL A 40 13.393 4.261 -0.107 1.00 0.00 H new ATOM 0 HG23 VAL A 40 12.202 3.052 -0.644 1.00 0.00 H new ATOM 523 N ASP A 41 13.695 3.931 3.889 1.00 0.00 N ATOM 524 CA ASP A 41 14.869 4.469 4.558 1.00 0.00 C ATOM 525 C ASP A 41 14.636 4.468 6.061 1.00 0.00 C ATOM 526 O ASP A 41 13.572 4.051 6.523 1.00 0.00 O ATOM 527 CB ASP A 41 15.155 5.891 4.072 1.00 0.00 C ATOM 528 CG ASP A 41 16.635 6.207 4.019 1.00 0.00 C ATOM 529 OD1 ASP A 41 17.278 6.274 5.091 1.00 0.00 O ATOM 530 OD2 ASP A 41 17.163 6.398 2.903 1.00 0.00 O ATOM 0 H ASP A 41 12.848 3.947 4.457 1.00 0.00 H new ATOM 0 HA ASP A 41 15.732 3.845 4.323 1.00 0.00 H new ATOM 0 HB2 ASP A 41 14.724 6.024 3.080 1.00 0.00 H new ATOM 0 HB3 ASP A 41 14.660 6.602 4.733 1.00 0.00 H new ATOM 535 N THR A 42 15.610 4.946 6.819 1.00 0.00 N ATOM 536 CA THR A 42 15.498 4.988 8.268 1.00 0.00 C ATOM 537 C THR A 42 14.397 5.956 8.694 1.00 0.00 C ATOM 538 O THR A 42 14.577 7.172 8.658 1.00 0.00 O ATOM 539 CB THR A 42 16.832 5.403 8.914 1.00 0.00 C ATOM 540 OG1 THR A 42 17.927 4.972 8.087 1.00 0.00 O ATOM 541 CG2 THR A 42 16.973 4.795 10.303 1.00 0.00 C ATOM 0 H THR A 42 16.489 5.311 6.453 1.00 0.00 H new ATOM 0 HA THR A 42 15.243 3.985 8.610 1.00 0.00 H new ATOM 0 HB THR A 42 16.846 6.489 9.007 1.00 0.00 H new ATOM 0 HG1 THR A 42 18.774 5.239 8.501 1.00 0.00 H new ATOM 0 HG21 THR A 42 17.923 5.102 10.740 1.00 0.00 H new ATOM 0 HG22 THR A 42 16.155 5.139 10.936 1.00 0.00 H new ATOM 0 HG23 THR A 42 16.942 3.708 10.229 1.00 0.00 H new ATOM 549 N GLY A 43 13.244 5.408 9.060 1.00 0.00 N ATOM 550 CA GLY A 43 12.128 6.231 9.482 1.00 0.00 C ATOM 551 C GLY A 43 11.367 6.809 8.307 1.00 0.00 C ATOM 552 O GLY A 43 10.503 7.668 8.478 1.00 0.00 O ATOM 0 H GLY A 43 13.063 4.404 9.072 1.00 0.00 H new ATOM 0 HA2 GLY A 43 11.451 5.635 10.094 1.00 0.00 H new ATOM 0 HA3 GLY A 43 12.495 7.043 10.110 1.00 0.00 H new ATOM 556 N VAL A 44 11.695 6.346 7.109 1.00 0.00 N ATOM 557 CA VAL A 44 11.041 6.826 5.900 1.00 0.00 C ATOM 558 C VAL A 44 10.424 5.664 5.132 1.00 0.00 C ATOM 559 O VAL A 44 11.056 4.622 4.949 1.00 0.00 O ATOM 560 CB VAL A 44 12.024 7.574 4.969 1.00 0.00 C ATOM 561 CG1 VAL A 44 11.267 8.422 3.958 1.00 0.00 C ATOM 562 CG2 VAL A 44 12.990 8.438 5.768 1.00 0.00 C ATOM 0 H VAL A 44 12.411 5.638 6.948 1.00 0.00 H new ATOM 0 HA VAL A 44 10.264 7.522 6.215 1.00 0.00 H new ATOM 0 HB VAL A 44 12.606 6.826 4.430 1.00 0.00 H new ATOM 0 HG11 VAL A 44 11.977 8.940 3.313 1.00 0.00 H new ATOM 0 HG12 VAL A 44 10.627 7.781 3.352 1.00 0.00 H new ATOM 0 HG13 VAL A 44 10.654 9.154 4.484 1.00 0.00 H new ATOM 0 HG21 VAL A 44 13.668 8.951 5.086 1.00 0.00 H new ATOM 0 HG22 VAL A 44 12.429 9.174 6.344 1.00 0.00 H new ATOM 0 HG23 VAL A 44 13.565 7.808 6.447 1.00 0.00 H new ATOM 572 N LEU A 45 9.189 5.840 4.695 1.00 0.00 N ATOM 573 CA LEU A 45 8.490 4.814 3.942 1.00 0.00 C ATOM 574 C LEU A 45 8.027 5.379 2.607 1.00 0.00 C ATOM 575 O LEU A 45 7.807 6.583 2.483 1.00 0.00 O ATOM 576 CB LEU A 45 7.298 4.277 4.737 1.00 0.00 C ATOM 577 CG LEU A 45 7.649 3.687 6.105 1.00 0.00 C ATOM 578 CD1 LEU A 45 7.507 4.735 7.195 1.00 0.00 C ATOM 579 CD2 LEU A 45 6.778 2.481 6.409 1.00 0.00 C ATOM 0 H LEU A 45 8.647 6.690 4.850 1.00 0.00 H new ATOM 0 HA LEU A 45 9.175 3.986 3.759 1.00 0.00 H new ATOM 0 HB2 LEU A 45 6.581 5.086 4.879 1.00 0.00 H new ATOM 0 HB3 LEU A 45 6.800 3.510 4.144 1.00 0.00 H new ATOM 0 HG LEU A 45 8.689 3.361 6.077 1.00 0.00 H new ATOM 0 HD11 LEU A 45 7.761 4.294 8.159 1.00 0.00 H new ATOM 0 HD12 LEU A 45 8.179 5.568 6.988 1.00 0.00 H new ATOM 0 HD13 LEU A 45 6.479 5.096 7.221 1.00 0.00 H new ATOM 0 HD21 LEU A 45 7.044 2.077 7.386 1.00 0.00 H new ATOM 0 HD22 LEU A 45 5.730 2.781 6.413 1.00 0.00 H new ATOM 0 HD23 LEU A 45 6.934 1.718 5.646 1.00 0.00 H new ATOM 591 N ALA A 46 7.884 4.513 1.612 1.00 0.00 N ATOM 592 CA ALA A 46 7.462 4.947 0.290 1.00 0.00 C ATOM 593 C ALA A 46 6.660 3.863 -0.415 1.00 0.00 C ATOM 594 O ALA A 46 6.913 2.675 -0.224 1.00 0.00 O ATOM 595 CB ALA A 46 8.675 5.335 -0.534 1.00 0.00 C ATOM 0 H ALA A 46 8.054 3.511 1.696 1.00 0.00 H new ATOM 0 HA ALA A 46 6.814 5.816 0.402 1.00 0.00 H new ATOM 0 HB1 ALA A 46 8.354 5.659 -1.524 1.00 0.00 H new ATOM 0 HB2 ALA A 46 9.205 6.149 -0.040 1.00 0.00 H new ATOM 0 HB3 ALA A 46 9.339 4.476 -0.631 1.00 0.00 H new ATOM 601 N CYS A 47 5.696 4.276 -1.229 1.00 0.00 N ATOM 602 CA CYS A 47 4.845 3.336 -1.960 1.00 0.00 C ATOM 603 C CYS A 47 5.384 3.087 -3.366 1.00 0.00 C ATOM 604 O CYS A 47 6.349 3.725 -3.787 1.00 0.00 O ATOM 605 CB CYS A 47 3.415 3.872 -2.046 1.00 0.00 C ATOM 606 SG CYS A 47 2.594 4.098 -0.434 1.00 0.00 S ATOM 0 H CYS A 47 5.481 5.258 -1.402 1.00 0.00 H new ATOM 0 HA CYS A 47 4.845 2.392 -1.416 1.00 0.00 H new ATOM 0 HB2 CYS A 47 3.430 4.828 -2.569 1.00 0.00 H new ATOM 0 HB3 CYS A 47 2.820 3.187 -2.650 1.00 0.00 H new ATOM 611 N ASN A 48 4.752 2.161 -4.086 1.00 0.00 N ATOM 612 CA ASN A 48 5.161 1.827 -5.447 1.00 0.00 C ATOM 613 C ASN A 48 4.148 2.369 -6.457 1.00 0.00 C ATOM 614 O ASN A 48 3.062 1.821 -6.623 1.00 0.00 O ATOM 615 CB ASN A 48 5.335 0.309 -5.621 1.00 0.00 C ATOM 616 CG ASN A 48 4.085 -0.500 -5.294 1.00 0.00 C ATOM 617 OD1 ASN A 48 3.373 -0.219 -4.329 1.00 0.00 O ATOM 618 ND2 ASN A 48 3.810 -1.510 -6.103 1.00 0.00 N ATOM 0 H ASN A 48 3.952 1.628 -3.746 1.00 0.00 H new ATOM 0 HA ASN A 48 6.127 2.297 -5.632 1.00 0.00 H new ATOM 0 HB2 ASN A 48 5.630 0.103 -6.650 1.00 0.00 H new ATOM 0 HB3 ASN A 48 6.151 -0.028 -4.982 1.00 0.00 H new ATOM 0 HD21 ASN A 48 2.985 -2.086 -5.937 1.00 0.00 H new ATOM 0 HD22 ASN A 48 4.423 -1.713 -6.893 1.00 0.00 H new ATOM 625 N PRO A 49 4.504 3.457 -7.158 1.00 0.00 N ATOM 626 CA PRO A 49 3.617 4.102 -8.139 1.00 0.00 C ATOM 627 C PRO A 49 3.551 3.375 -9.483 1.00 0.00 C ATOM 628 O PRO A 49 2.897 3.842 -10.417 1.00 0.00 O ATOM 629 CB PRO A 49 4.263 5.474 -8.315 1.00 0.00 C ATOM 630 CG PRO A 49 5.716 5.222 -8.110 1.00 0.00 C ATOM 631 CD PRO A 49 5.802 4.158 -7.051 1.00 0.00 C ATOM 0 HA PRO A 49 2.583 4.118 -7.795 1.00 0.00 H new ATOM 0 HB2 PRO A 49 4.066 5.883 -9.306 1.00 0.00 H new ATOM 0 HB3 PRO A 49 3.877 6.192 -7.591 1.00 0.00 H new ATOM 0 HG2 PRO A 49 6.190 4.893 -9.035 1.00 0.00 H new ATOM 0 HG3 PRO A 49 6.230 6.130 -7.794 1.00 0.00 H new ATOM 0 HD2 PRO A 49 6.639 3.482 -7.228 1.00 0.00 H new ATOM 0 HD3 PRO A 49 5.945 4.589 -6.060 1.00 0.00 H new ATOM 639 N ALA A 50 4.221 2.237 -9.589 1.00 0.00 N ATOM 640 CA ALA A 50 4.215 1.480 -10.834 1.00 0.00 C ATOM 641 C ALA A 50 3.076 0.465 -10.868 1.00 0.00 C ATOM 642 O ALA A 50 2.561 0.136 -11.936 1.00 0.00 O ATOM 643 CB ALA A 50 5.553 0.790 -11.048 1.00 0.00 C ATOM 0 H ALA A 50 4.770 1.820 -8.837 1.00 0.00 H new ATOM 0 HA ALA A 50 4.053 2.186 -11.648 1.00 0.00 H new ATOM 0 HB1 ALA A 50 5.528 0.230 -11.983 1.00 0.00 H new ATOM 0 HB2 ALA A 50 6.345 1.538 -11.094 1.00 0.00 H new ATOM 0 HB3 ALA A 50 5.746 0.107 -10.221 1.00 0.00 H new ATOM 649 N ASP A 51 2.676 -0.022 -9.699 1.00 0.00 N ATOM 650 CA ASP A 51 1.595 -1.003 -9.613 1.00 0.00 C ATOM 651 C ASP A 51 0.556 -0.582 -8.583 1.00 0.00 C ATOM 652 O ASP A 51 -0.239 -1.404 -8.119 1.00 0.00 O ATOM 653 CB ASP A 51 2.135 -2.388 -9.238 1.00 0.00 C ATOM 654 CG ASP A 51 2.934 -3.037 -10.347 1.00 0.00 C ATOM 655 OD1 ASP A 51 2.325 -3.523 -11.328 1.00 0.00 O ATOM 656 OD2 ASP A 51 4.174 -3.087 -10.236 1.00 0.00 O ATOM 0 H ASP A 51 3.080 0.243 -8.801 1.00 0.00 H new ATOM 0 HA ASP A 51 1.128 -1.053 -10.597 1.00 0.00 H new ATOM 0 HB2 ASP A 51 2.763 -2.298 -8.351 1.00 0.00 H new ATOM 0 HB3 ASP A 51 1.300 -3.037 -8.973 1.00 0.00 H new ATOM 661 N PHE A 52 0.550 0.701 -8.246 1.00 0.00 N ATOM 662 CA PHE A 52 -0.381 1.232 -7.254 1.00 0.00 C ATOM 663 C PHE A 52 -1.807 1.269 -7.792 1.00 0.00 C ATOM 664 O PHE A 52 -2.033 1.248 -9.004 1.00 0.00 O ATOM 665 CB PHE A 52 0.047 2.635 -6.800 1.00 0.00 C ATOM 666 CG PHE A 52 -0.453 3.756 -7.670 1.00 0.00 C ATOM 667 CD1 PHE A 52 0.122 4.009 -8.901 1.00 0.00 C ATOM 668 CD2 PHE A 52 -1.500 4.559 -7.247 1.00 0.00 C ATOM 669 CE1 PHE A 52 -0.336 5.038 -9.698 1.00 0.00 C ATOM 670 CE2 PHE A 52 -1.965 5.589 -8.039 1.00 0.00 C ATOM 671 CZ PHE A 52 -1.382 5.830 -9.267 1.00 0.00 C ATOM 0 H PHE A 52 1.180 1.396 -8.645 1.00 0.00 H new ATOM 0 HA PHE A 52 -0.359 0.562 -6.395 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -0.308 2.797 -5.782 1.00 0.00 H new ATOM 0 HB3 PHE A 52 1.136 2.676 -6.768 1.00 0.00 H new ATOM 0 HD1 PHE A 52 0.940 3.393 -9.244 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -1.958 4.377 -6.286 1.00 0.00 H new ATOM 0 HE1 PHE A 52 0.123 5.224 -10.658 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -2.784 6.206 -7.699 1.00 0.00 H new ATOM 0 HZ PHE A 52 -1.743 6.636 -9.889 1.00 0.00 H new ATOM 681 N SER A 53 -2.766 1.317 -6.882 1.00 0.00 N ATOM 682 CA SER A 53 -4.171 1.369 -7.249 1.00 0.00 C ATOM 683 C SER A 53 -4.938 2.250 -6.269 1.00 0.00 C ATOM 684 O SER A 53 -5.137 1.883 -5.107 1.00 0.00 O ATOM 685 CB SER A 53 -4.764 -0.043 -7.285 1.00 0.00 C ATOM 686 OG SER A 53 -3.998 -0.893 -8.128 1.00 0.00 O ATOM 0 H SER A 53 -2.595 1.321 -5.877 1.00 0.00 H new ATOM 0 HA SER A 53 -4.259 1.803 -8.245 1.00 0.00 H new ATOM 0 HB2 SER A 53 -4.794 -0.455 -6.276 1.00 0.00 H new ATOM 0 HB3 SER A 53 -5.793 -0.001 -7.642 1.00 0.00 H new ATOM 0 HG SER A 53 -4.394 -1.790 -8.135 1.00 0.00 H new ATOM 692 N SER A 54 -5.339 3.424 -6.734 1.00 0.00 N ATOM 693 CA SER A 54 -6.078 4.363 -5.912 1.00 0.00 C ATOM 694 C SER A 54 -7.564 4.013 -5.894 1.00 0.00 C ATOM 695 O SER A 54 -8.356 4.548 -6.675 1.00 0.00 O ATOM 696 CB SER A 54 -5.864 5.785 -6.432 1.00 0.00 C ATOM 697 OG SER A 54 -5.303 5.767 -7.737 1.00 0.00 O ATOM 0 H SER A 54 -5.162 3.748 -7.685 1.00 0.00 H new ATOM 0 HA SER A 54 -5.708 4.302 -4.889 1.00 0.00 H new ATOM 0 HB2 SER A 54 -6.815 6.318 -6.448 1.00 0.00 H new ATOM 0 HB3 SER A 54 -5.205 6.329 -5.756 1.00 0.00 H new ATOM 0 HG SER A 54 -5.954 5.395 -8.368 1.00 0.00 H new ATOM 703 N VAL A 55 -7.931 3.103 -5.003 1.00 0.00 N ATOM 704 CA VAL A 55 -9.309 2.662 -4.886 1.00 0.00 C ATOM 705 C VAL A 55 -10.177 3.744 -4.246 1.00 0.00 C ATOM 706 O VAL A 55 -9.765 4.415 -3.296 1.00 0.00 O ATOM 707 CB VAL A 55 -9.409 1.345 -4.080 1.00 0.00 C ATOM 708 CG1 VAL A 55 -8.916 1.537 -2.650 1.00 0.00 C ATOM 709 CG2 VAL A 55 -10.833 0.806 -4.097 1.00 0.00 C ATOM 0 H VAL A 55 -7.289 2.655 -4.349 1.00 0.00 H new ATOM 0 HA VAL A 55 -9.680 2.473 -5.893 1.00 0.00 H new ATOM 0 HB VAL A 55 -8.763 0.609 -4.559 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -8.998 0.595 -2.107 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -7.874 1.858 -2.664 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -9.523 2.295 -2.155 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -10.878 -0.120 -3.524 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -11.505 1.540 -3.654 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -11.136 0.611 -5.126 1.00 0.00 H new ATOM 719 N THR A 56 -11.362 3.935 -4.797 1.00 0.00 N ATOM 720 CA THR A 56 -12.285 4.923 -4.281 1.00 0.00 C ATOM 721 C THR A 56 -13.348 4.241 -3.419 1.00 0.00 C ATOM 722 O THR A 56 -13.739 3.100 -3.683 1.00 0.00 O ATOM 723 CB THR A 56 -12.936 5.737 -5.433 1.00 0.00 C ATOM 724 OG1 THR A 56 -13.221 7.071 -4.994 1.00 0.00 O ATOM 725 CG2 THR A 56 -14.217 5.087 -5.939 1.00 0.00 C ATOM 0 H THR A 56 -11.706 3.416 -5.605 1.00 0.00 H new ATOM 0 HA THR A 56 -11.731 5.626 -3.659 1.00 0.00 H new ATOM 0 HB THR A 56 -12.222 5.760 -6.256 1.00 0.00 H new ATOM 0 HG1 THR A 56 -13.629 7.577 -5.728 1.00 0.00 H new ATOM 0 HG21 THR A 56 -14.638 5.690 -6.744 1.00 0.00 H new ATOM 0 HG22 THR A 56 -13.995 4.087 -6.313 1.00 0.00 H new ATOM 0 HG23 THR A 56 -14.937 5.018 -5.123 1.00 0.00 H new ATOM 733 N ALA A 57 -13.781 4.926 -2.374 1.00 0.00 N ATOM 734 CA ALA A 57 -14.790 4.387 -1.478 1.00 0.00 C ATOM 735 C ALA A 57 -16.165 4.447 -2.124 1.00 0.00 C ATOM 736 O ALA A 57 -16.567 5.491 -2.646 1.00 0.00 O ATOM 737 CB ALA A 57 -14.790 5.148 -0.163 1.00 0.00 C ATOM 0 H ALA A 57 -13.449 5.858 -2.125 1.00 0.00 H new ATOM 0 HA ALA A 57 -14.549 3.343 -1.276 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -15.551 4.733 0.498 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -13.812 5.059 0.309 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -15.007 6.199 -0.351 1.00 0.00 H new ATOM 743 N ASP A 58 -16.876 3.328 -2.091 1.00 0.00 N ATOM 744 CA ASP A 58 -18.210 3.253 -2.670 1.00 0.00 C ATOM 745 C ASP A 58 -19.233 3.908 -1.752 1.00 0.00 C ATOM 746 O ASP A 58 -18.892 4.378 -0.666 1.00 0.00 O ATOM 747 CB ASP A 58 -18.607 1.797 -2.966 1.00 0.00 C ATOM 748 CG ASP A 58 -18.461 0.857 -1.775 1.00 0.00 C ATOM 749 OD1 ASP A 58 -18.839 1.234 -0.647 1.00 0.00 O ATOM 750 OD2 ASP A 58 -17.983 -0.280 -1.973 1.00 0.00 O ATOM 0 H ASP A 58 -16.550 2.459 -1.669 1.00 0.00 H new ATOM 0 HA ASP A 58 -18.194 3.797 -3.615 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -19.642 1.776 -3.307 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -17.994 1.424 -3.787 1.00 0.00 H new ATOM 755 N ALA A 59 -20.489 3.914 -2.184 1.00 0.00 N ATOM 756 CA ALA A 59 -21.569 4.523 -1.412 1.00 0.00 C ATOM 757 C ALA A 59 -21.802 3.787 -0.095 1.00 0.00 C ATOM 758 O ALA A 59 -22.361 4.345 0.849 1.00 0.00 O ATOM 759 CB ALA A 59 -22.846 4.553 -2.234 1.00 0.00 C ATOM 0 H ALA A 59 -20.787 3.502 -3.069 1.00 0.00 H new ATOM 0 HA ALA A 59 -21.274 5.544 -1.172 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -23.645 5.009 -1.649 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -22.682 5.136 -3.140 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -23.129 3.536 -2.504 1.00 0.00 H new ATOM 765 N ASN A 60 -21.348 2.544 -0.026 1.00 0.00 N ATOM 766 CA ASN A 60 -21.516 1.737 1.174 1.00 0.00 C ATOM 767 C ASN A 60 -20.426 2.061 2.185 1.00 0.00 C ATOM 768 O ASN A 60 -20.451 1.580 3.318 1.00 0.00 O ATOM 769 CB ASN A 60 -21.479 0.244 0.838 1.00 0.00 C ATOM 770 CG ASN A 60 -22.683 -0.213 0.037 1.00 0.00 C ATOM 771 OD1 ASN A 60 -23.768 0.359 0.140 1.00 0.00 O ATOM 772 ND2 ASN A 60 -22.502 -1.243 -0.774 1.00 0.00 N ATOM 0 H ASN A 60 -20.860 2.072 -0.787 1.00 0.00 H new ATOM 0 HA ASN A 60 -22.489 1.973 1.605 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -20.571 0.026 0.275 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -21.426 -0.330 1.763 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -23.277 -1.588 -1.341 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -21.588 -1.692 -0.832 1.00 0.00 H new ATOM 779 N GLY A 61 -19.470 2.882 1.766 1.00 0.00 N ATOM 780 CA GLY A 61 -18.373 3.258 2.633 1.00 0.00 C ATOM 781 C GLY A 61 -17.327 2.169 2.710 1.00 0.00 C ATOM 782 O GLY A 61 -16.712 1.955 3.757 1.00 0.00 O ATOM 0 H GLY A 61 -19.437 3.296 0.834 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -17.916 4.177 2.265 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -18.754 3.469 3.632 1.00 0.00 H new ATOM 786 N SER A 62 -17.139 1.470 1.603 1.00 0.00 N ATOM 787 CA SER A 62 -16.171 0.389 1.537 1.00 0.00 C ATOM 788 C SER A 62 -15.241 0.563 0.342 1.00 0.00 C ATOM 789 O SER A 62 -15.523 1.343 -0.569 1.00 0.00 O ATOM 790 CB SER A 62 -16.912 -0.943 1.443 1.00 0.00 C ATOM 791 OG SER A 62 -18.317 -0.730 1.379 1.00 0.00 O ATOM 0 H SER A 62 -17.647 1.633 0.734 1.00 0.00 H new ATOM 0 HA SER A 62 -15.560 0.405 2.440 1.00 0.00 H new ATOM 0 HB2 SER A 62 -16.581 -1.488 0.559 1.00 0.00 H new ATOM 0 HB3 SER A 62 -16.671 -1.561 2.308 1.00 0.00 H new ATOM 0 HG SER A 62 -18.530 -0.185 0.593 1.00 0.00 H new ATOM 797 N ALA A 63 -14.128 -0.154 0.366 1.00 0.00 N ATOM 798 CA ALA A 63 -13.150 -0.103 -0.708 1.00 0.00 C ATOM 799 C ALA A 63 -12.429 -1.439 -0.829 1.00 0.00 C ATOM 800 O ALA A 63 -11.870 -1.935 0.148 1.00 0.00 O ATOM 801 CB ALA A 63 -12.151 1.015 -0.457 1.00 0.00 C ATOM 0 H ALA A 63 -13.879 -0.785 1.128 1.00 0.00 H new ATOM 0 HA ALA A 63 -13.670 0.098 -1.645 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -11.424 1.042 -1.269 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -12.677 1.969 -0.408 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -11.635 0.837 0.486 1.00 0.00 H new ATOM 807 N SER A 64 -12.454 -2.022 -2.016 1.00 0.00 N ATOM 808 CA SER A 64 -11.797 -3.297 -2.251 1.00 0.00 C ATOM 809 C SER A 64 -10.960 -3.226 -3.524 1.00 0.00 C ATOM 810 O SER A 64 -11.467 -2.888 -4.594 1.00 0.00 O ATOM 811 CB SER A 64 -12.834 -4.421 -2.358 1.00 0.00 C ATOM 812 OG SER A 64 -12.300 -5.663 -1.921 1.00 0.00 O ATOM 0 H SER A 64 -12.923 -1.632 -2.833 1.00 0.00 H new ATOM 0 HA SER A 64 -11.140 -3.513 -1.409 1.00 0.00 H new ATOM 0 HB2 SER A 64 -13.709 -4.169 -1.759 1.00 0.00 H new ATOM 0 HB3 SER A 64 -13.170 -4.511 -3.391 1.00 0.00 H new ATOM 0 HG SER A 64 -12.985 -6.359 -1.999 1.00 0.00 H new ATOM 818 N THR A 65 -9.680 -3.542 -3.406 1.00 0.00 N ATOM 819 CA THR A 65 -8.784 -3.498 -4.549 1.00 0.00 C ATOM 820 C THR A 65 -7.753 -4.627 -4.480 1.00 0.00 C ATOM 821 O THR A 65 -7.744 -5.422 -3.531 1.00 0.00 O ATOM 822 CB THR A 65 -8.077 -2.123 -4.652 1.00 0.00 C ATOM 823 OG1 THR A 65 -7.480 -1.966 -5.948 1.00 0.00 O ATOM 824 CG2 THR A 65 -7.013 -1.965 -3.575 1.00 0.00 C ATOM 0 H THR A 65 -9.240 -3.831 -2.532 1.00 0.00 H new ATOM 0 HA THR A 65 -9.386 -3.638 -5.447 1.00 0.00 H new ATOM 0 HB THR A 65 -8.832 -1.350 -4.504 1.00 0.00 H new ATOM 0 HG1 THR A 65 -7.038 -1.093 -6.001 1.00 0.00 H new ATOM 0 HG21 THR A 65 -6.536 -0.990 -3.675 1.00 0.00 H new ATOM 0 HG22 THR A 65 -7.476 -2.043 -2.592 1.00 0.00 H new ATOM 0 HG23 THR A 65 -6.264 -2.749 -3.686 1.00 0.00 H new ATOM 832 N SER A 66 -6.900 -4.694 -5.491 1.00 0.00 N ATOM 833 CA SER A 66 -5.870 -5.717 -5.578 1.00 0.00 C ATOM 834 C SER A 66 -4.512 -5.084 -5.897 1.00 0.00 C ATOM 835 O SER A 66 -4.397 -4.280 -6.825 1.00 0.00 O ATOM 836 CB SER A 66 -6.247 -6.730 -6.659 1.00 0.00 C ATOM 837 OG SER A 66 -7.598 -7.131 -6.520 1.00 0.00 O ATOM 0 H SER A 66 -6.903 -4.040 -6.274 1.00 0.00 H new ATOM 0 HA SER A 66 -5.793 -6.227 -4.618 1.00 0.00 H new ATOM 0 HB2 SER A 66 -6.092 -6.292 -7.645 1.00 0.00 H new ATOM 0 HB3 SER A 66 -5.595 -7.601 -6.591 1.00 0.00 H new ATOM 0 HG SER A 66 -7.821 -7.778 -7.222 1.00 0.00 H new ATOM 843 N LEU A 67 -3.492 -5.439 -5.124 1.00 0.00 N ATOM 844 CA LEU A 67 -2.158 -4.893 -5.332 1.00 0.00 C ATOM 845 C LEU A 67 -1.170 -5.988 -5.720 1.00 0.00 C ATOM 846 O LEU A 67 -1.187 -7.079 -5.153 1.00 0.00 O ATOM 847 CB LEU A 67 -1.681 -4.180 -4.062 1.00 0.00 C ATOM 848 CG LEU A 67 -1.212 -2.735 -4.255 1.00 0.00 C ATOM 849 CD1 LEU A 67 0.103 -2.693 -5.020 1.00 0.00 C ATOM 850 CD2 LEU A 67 -2.275 -1.913 -4.973 1.00 0.00 C ATOM 0 H LEU A 67 -3.564 -6.100 -4.351 1.00 0.00 H new ATOM 0 HA LEU A 67 -2.207 -4.176 -6.151 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -2.494 -4.186 -3.336 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -0.862 -4.755 -3.629 1.00 0.00 H new ATOM 0 HG LEU A 67 -1.049 -2.298 -3.270 1.00 0.00 H new ATOM 0 HD11 LEU A 67 0.418 -1.657 -5.146 1.00 0.00 H new ATOM 0 HD12 LEU A 67 0.865 -3.239 -4.464 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -0.031 -3.153 -5.999 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -1.920 -0.890 -5.099 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -2.475 -2.351 -5.951 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -3.192 -1.909 -4.383 1.00 0.00 H new ATOM 862 N THR A 68 -0.323 -5.698 -6.693 1.00 0.00 N ATOM 863 CA THR A 68 0.676 -6.653 -7.140 1.00 0.00 C ATOM 864 C THR A 68 2.022 -6.352 -6.487 1.00 0.00 C ATOM 865 O THR A 68 2.621 -5.308 -6.740 1.00 0.00 O ATOM 866 CB THR A 68 0.827 -6.614 -8.670 1.00 0.00 C ATOM 867 OG1 THR A 68 -0.468 -6.518 -9.279 1.00 0.00 O ATOM 868 CG2 THR A 68 1.541 -7.859 -9.172 1.00 0.00 C ATOM 0 H THR A 68 -0.308 -4.807 -7.189 1.00 0.00 H new ATOM 0 HA THR A 68 0.345 -7.649 -6.847 1.00 0.00 H new ATOM 0 HB THR A 68 1.423 -5.742 -8.939 1.00 0.00 H new ATOM 0 HG1 THR A 68 -0.370 -6.492 -10.254 1.00 0.00 H new ATOM 0 HG21 THR A 68 1.637 -7.811 -10.257 1.00 0.00 H new ATOM 0 HG22 THR A 68 2.532 -7.916 -8.722 1.00 0.00 H new ATOM 0 HG23 THR A 68 0.966 -8.744 -8.898 1.00 0.00 H new ATOM 876 N VAL A 69 2.480 -7.254 -5.630 1.00 0.00 N ATOM 877 CA VAL A 69 3.750 -7.068 -4.942 1.00 0.00 C ATOM 878 C VAL A 69 4.931 -7.459 -5.836 1.00 0.00 C ATOM 879 O VAL A 69 4.941 -8.524 -6.454 1.00 0.00 O ATOM 880 CB VAL A 69 3.802 -7.865 -3.615 1.00 0.00 C ATOM 881 CG1 VAL A 69 3.625 -9.354 -3.855 1.00 0.00 C ATOM 882 CG2 VAL A 69 5.102 -7.595 -2.877 1.00 0.00 C ATOM 0 H VAL A 69 1.993 -8.119 -5.395 1.00 0.00 H new ATOM 0 HA VAL A 69 3.830 -6.007 -4.706 1.00 0.00 H new ATOM 0 HB VAL A 69 2.973 -7.526 -2.994 1.00 0.00 H new ATOM 0 HG11 VAL A 69 3.667 -9.883 -2.903 1.00 0.00 H new ATOM 0 HG12 VAL A 69 2.660 -9.534 -4.328 1.00 0.00 H new ATOM 0 HG13 VAL A 69 4.421 -9.715 -4.506 1.00 0.00 H new ATOM 0 HG21 VAL A 69 5.118 -8.165 -1.948 1.00 0.00 H new ATOM 0 HG22 VAL A 69 5.944 -7.895 -3.501 1.00 0.00 H new ATOM 0 HG23 VAL A 69 5.178 -6.531 -2.652 1.00 0.00 H new ATOM 892 N ARG A 70 5.916 -6.578 -5.911 1.00 0.00 N ATOM 893 CA ARG A 70 7.104 -6.812 -6.715 1.00 0.00 C ATOM 894 C ARG A 70 8.294 -7.087 -5.810 1.00 0.00 C ATOM 895 O ARG A 70 8.284 -6.720 -4.633 1.00 0.00 O ATOM 896 CB ARG A 70 7.405 -5.587 -7.588 1.00 0.00 C ATOM 897 CG ARG A 70 6.238 -5.136 -8.450 1.00 0.00 C ATOM 898 CD ARG A 70 5.870 -6.182 -9.484 1.00 0.00 C ATOM 899 NE ARG A 70 4.807 -5.723 -10.365 1.00 0.00 N ATOM 900 CZ ARG A 70 4.199 -6.498 -11.259 1.00 0.00 C ATOM 901 NH1 ARG A 70 4.575 -7.766 -11.413 1.00 0.00 N ATOM 902 NH2 ARG A 70 3.219 -6.008 -12.002 1.00 0.00 N ATOM 0 H ARG A 70 5.915 -5.685 -5.419 1.00 0.00 H new ATOM 0 HA ARG A 70 6.925 -7.675 -7.357 1.00 0.00 H new ATOM 0 HB2 ARG A 70 7.707 -4.761 -6.944 1.00 0.00 H new ATOM 0 HB3 ARG A 70 8.253 -5.814 -8.234 1.00 0.00 H new ATOM 0 HG2 ARG A 70 5.375 -4.931 -7.816 1.00 0.00 H new ATOM 0 HG3 ARG A 70 6.495 -4.203 -8.951 1.00 0.00 H new ATOM 0 HD2 ARG A 70 6.750 -6.432 -10.077 1.00 0.00 H new ATOM 0 HD3 ARG A 70 5.555 -7.096 -8.980 1.00 0.00 H new ATOM 0 HE ARG A 70 4.511 -4.750 -10.293 1.00 0.00 H new ATOM 0 HH11 ARG A 70 5.332 -8.146 -10.844 1.00 0.00 H new ATOM 0 HH12 ARG A 70 4.106 -8.357 -12.100 1.00 0.00 H new ATOM 0 HH21 ARG A 70 2.930 -5.036 -11.889 1.00 0.00 H new ATOM 0 HH22 ARG A 70 2.753 -6.602 -12.688 1.00 0.00 H new ATOM 916 N ARG A 71 9.315 -7.730 -6.360 1.00 0.00 N ATOM 917 CA ARG A 71 10.522 -8.029 -5.604 1.00 0.00 C ATOM 918 C ARG A 71 11.357 -6.762 -5.466 1.00 0.00 C ATOM 919 O ARG A 71 12.178 -6.635 -4.563 1.00 0.00 O ATOM 920 CB ARG A 71 11.333 -9.129 -6.295 1.00 0.00 C ATOM 921 CG ARG A 71 12.335 -9.819 -5.378 1.00 0.00 C ATOM 922 CD ARG A 71 11.659 -10.788 -4.417 1.00 0.00 C ATOM 923 NE ARG A 71 11.050 -11.920 -5.112 1.00 0.00 N ATOM 924 CZ ARG A 71 10.969 -13.152 -4.610 1.00 0.00 C ATOM 925 NH1 ARG A 71 11.449 -13.421 -3.402 1.00 0.00 N ATOM 926 NH2 ARG A 71 10.391 -14.111 -5.316 1.00 0.00 N ATOM 0 H ARG A 71 9.331 -8.054 -7.327 1.00 0.00 H new ATOM 0 HA ARG A 71 10.243 -8.388 -4.613 1.00 0.00 H new ATOM 0 HB2 ARG A 71 10.648 -9.875 -6.697 1.00 0.00 H new ATOM 0 HB3 ARG A 71 11.866 -8.697 -7.142 1.00 0.00 H new ATOM 0 HG2 ARG A 71 13.066 -10.358 -5.981 1.00 0.00 H new ATOM 0 HG3 ARG A 71 12.882 -9.068 -4.809 1.00 0.00 H new ATOM 0 HD2 ARG A 71 12.392 -11.156 -3.699 1.00 0.00 H new ATOM 0 HD3 ARG A 71 10.894 -10.259 -3.848 1.00 0.00 H new ATOM 0 HE ARG A 71 10.662 -11.757 -6.041 1.00 0.00 H new ATOM 0 HH11 ARG A 71 11.884 -12.682 -2.850 1.00 0.00 H new ATOM 0 HH12 ARG A 71 11.383 -14.367 -3.026 1.00 0.00 H new ATOM 0 HH21 ARG A 71 10.010 -13.905 -6.240 1.00 0.00 H new ATOM 0 HH22 ARG A 71 10.326 -15.056 -4.936 1.00 0.00 H new ATOM 940 N SER A 72 11.127 -5.836 -6.383 1.00 0.00 N ATOM 941 CA SER A 72 11.811 -4.558 -6.395 1.00 0.00 C ATOM 942 C SER A 72 10.823 -3.487 -6.826 1.00 0.00 C ATOM 943 O SER A 72 10.090 -3.679 -7.797 1.00 0.00 O ATOM 944 CB SER A 72 13.012 -4.586 -7.347 1.00 0.00 C ATOM 945 OG SER A 72 13.708 -5.824 -7.263 1.00 0.00 O ATOM 0 H SER A 72 10.457 -5.953 -7.143 1.00 0.00 H new ATOM 0 HA SER A 72 12.188 -4.341 -5.396 1.00 0.00 H new ATOM 0 HB2 SER A 72 12.672 -4.426 -8.370 1.00 0.00 H new ATOM 0 HB3 SER A 72 13.690 -3.768 -7.105 1.00 0.00 H new ATOM 0 HG SER A 72 14.468 -5.815 -7.882 1.00 0.00 H new ATOM 951 N PHE A 73 10.777 -2.382 -6.104 1.00 0.00 N ATOM 952 CA PHE A 73 9.846 -1.313 -6.436 1.00 0.00 C ATOM 953 C PHE A 73 10.463 0.054 -6.190 1.00 0.00 C ATOM 954 O PHE A 73 11.302 0.215 -5.305 1.00 0.00 O ATOM 955 CB PHE A 73 8.557 -1.459 -5.619 1.00 0.00 C ATOM 956 CG PHE A 73 8.741 -1.274 -4.131 1.00 0.00 C ATOM 957 CD1 PHE A 73 9.313 -2.274 -3.360 1.00 0.00 C ATOM 958 CD2 PHE A 73 8.332 -0.104 -3.506 1.00 0.00 C ATOM 959 CE1 PHE A 73 9.476 -2.112 -1.997 1.00 0.00 C ATOM 960 CE2 PHE A 73 8.493 0.061 -2.143 1.00 0.00 C ATOM 961 CZ PHE A 73 9.064 -0.941 -1.387 1.00 0.00 C ATOM 0 H PHE A 73 11.366 -2.200 -5.291 1.00 0.00 H new ATOM 0 HA PHE A 73 9.611 -1.393 -7.497 1.00 0.00 H new ATOM 0 HB2 PHE A 73 7.829 -0.731 -5.977 1.00 0.00 H new ATOM 0 HB3 PHE A 73 8.135 -2.447 -5.801 1.00 0.00 H new ATOM 0 HD1 PHE A 73 9.635 -3.191 -3.830 1.00 0.00 H new ATOM 0 HD2 PHE A 73 7.883 0.686 -4.091 1.00 0.00 H new ATOM 0 HE1 PHE A 73 9.925 -2.899 -1.409 1.00 0.00 H new ATOM 0 HE2 PHE A 73 8.171 0.977 -1.669 1.00 0.00 H new ATOM 0 HZ PHE A 73 9.189 -0.812 -0.322 1.00 0.00 H new ATOM 971 N GLU A 74 10.053 1.033 -6.981 1.00 0.00 N ATOM 972 CA GLU A 74 10.552 2.391 -6.834 1.00 0.00 C ATOM 973 C GLU A 74 9.751 3.104 -5.758 1.00 0.00 C ATOM 974 O GLU A 74 8.547 3.311 -5.906 1.00 0.00 O ATOM 975 CB GLU A 74 10.456 3.158 -8.157 1.00 0.00 C ATOM 976 CG GLU A 74 11.574 2.839 -9.138 1.00 0.00 C ATOM 977 CD GLU A 74 11.450 1.455 -9.735 1.00 0.00 C ATOM 978 OE1 GLU A 74 10.331 1.072 -10.134 1.00 0.00 O ATOM 979 OE2 GLU A 74 12.474 0.747 -9.819 1.00 0.00 O ATOM 0 H GLU A 74 9.375 0.912 -7.733 1.00 0.00 H new ATOM 0 HA GLU A 74 11.602 2.350 -6.546 1.00 0.00 H new ATOM 0 HB2 GLU A 74 9.499 2.933 -8.627 1.00 0.00 H new ATOM 0 HB3 GLU A 74 10.465 4.228 -7.947 1.00 0.00 H new ATOM 0 HG2 GLU A 74 11.570 3.578 -9.940 1.00 0.00 H new ATOM 0 HG3 GLU A 74 12.534 2.926 -8.629 1.00 0.00 H new ATOM 986 N GLY A 75 10.415 3.458 -4.671 1.00 0.00 N ATOM 987 CA GLY A 75 9.741 4.132 -3.584 1.00 0.00 C ATOM 988 C GLY A 75 9.446 5.588 -3.886 1.00 0.00 C ATOM 989 O GLY A 75 10.341 6.343 -4.283 1.00 0.00 O ATOM 0 H GLY A 75 11.410 3.290 -4.522 1.00 0.00 H new ATOM 0 HA2 GLY A 75 8.807 3.615 -3.366 1.00 0.00 H new ATOM 0 HA3 GLY A 75 10.357 4.070 -2.687 1.00 0.00 H new ATOM 993 N PHE A 76 8.195 5.983 -3.688 1.00 0.00 N ATOM 994 CA PHE A 76 7.775 7.353 -3.933 1.00 0.00 C ATOM 995 C PHE A 76 7.094 7.923 -2.701 1.00 0.00 C ATOM 996 O PHE A 76 6.328 7.227 -2.026 1.00 0.00 O ATOM 997 CB PHE A 76 6.821 7.424 -5.128 1.00 0.00 C ATOM 998 CG PHE A 76 7.485 7.824 -6.415 1.00 0.00 C ATOM 999 CD1 PHE A 76 8.434 7.006 -7.008 1.00 0.00 C ATOM 1000 CD2 PHE A 76 7.149 9.016 -7.037 1.00 0.00 C ATOM 1001 CE1 PHE A 76 9.035 7.372 -8.196 1.00 0.00 C ATOM 1002 CE2 PHE A 76 7.746 9.384 -8.228 1.00 0.00 C ATOM 1003 CZ PHE A 76 8.691 8.561 -8.807 1.00 0.00 C ATOM 0 H PHE A 76 7.451 5.369 -3.357 1.00 0.00 H new ATOM 0 HA PHE A 76 8.663 7.944 -4.159 1.00 0.00 H new ATOM 0 HB2 PHE A 76 6.349 6.451 -5.262 1.00 0.00 H new ATOM 0 HB3 PHE A 76 6.026 8.136 -4.904 1.00 0.00 H new ATOM 0 HD1 PHE A 76 8.706 6.073 -6.536 1.00 0.00 H new ATOM 0 HD2 PHE A 76 6.412 9.665 -6.586 1.00 0.00 H new ATOM 0 HE1 PHE A 76 9.775 6.728 -8.647 1.00 0.00 H new ATOM 0 HE2 PHE A 76 7.474 10.314 -8.705 1.00 0.00 H new ATOM 0 HZ PHE A 76 9.160 8.847 -9.737 1.00 0.00 H new ATOM 1013 N LEU A 77 7.386 9.179 -2.406 1.00 0.00 N ATOM 1014 CA LEU A 77 6.794 9.844 -1.262 1.00 0.00 C ATOM 1015 C LEU A 77 5.427 10.401 -1.636 1.00 0.00 C ATOM 1016 O LEU A 77 5.098 10.510 -2.819 1.00 0.00 O ATOM 1017 CB LEU A 77 7.709 10.961 -0.760 1.00 0.00 C ATOM 1018 CG LEU A 77 8.664 10.564 0.373 1.00 0.00 C ATOM 1019 CD1 LEU A 77 9.481 9.338 0.000 1.00 0.00 C ATOM 1020 CD2 LEU A 77 9.586 11.719 0.711 1.00 0.00 C ATOM 0 H LEU A 77 8.030 9.757 -2.945 1.00 0.00 H new ATOM 0 HA LEU A 77 6.670 9.118 -0.458 1.00 0.00 H new ATOM 0 HB2 LEU A 77 8.299 11.330 -1.599 1.00 0.00 H new ATOM 0 HB3 LEU A 77 7.090 11.790 -0.418 1.00 0.00 H new ATOM 0 HG LEU A 77 8.062 10.318 1.248 1.00 0.00 H new ATOM 0 HD11 LEU A 77 10.148 9.081 0.823 1.00 0.00 H new ATOM 0 HD12 LEU A 77 8.811 8.501 -0.199 1.00 0.00 H new ATOM 0 HD13 LEU A 77 10.070 9.551 -0.892 1.00 0.00 H new ATOM 0 HD21 LEU A 77 10.259 11.424 1.516 1.00 0.00 H new ATOM 0 HD22 LEU A 77 10.170 11.988 -0.169 1.00 0.00 H new ATOM 0 HD23 LEU A 77 8.993 12.577 1.029 1.00 0.00 H new ATOM 1032 N PHE A 78 4.647 10.776 -0.627 1.00 0.00 N ATOM 1033 CA PHE A 78 3.299 11.298 -0.843 1.00 0.00 C ATOM 1034 C PHE A 78 3.310 12.625 -1.599 1.00 0.00 C ATOM 1035 O PHE A 78 2.311 13.011 -2.205 1.00 0.00 O ATOM 1036 CB PHE A 78 2.581 11.468 0.493 1.00 0.00 C ATOM 1037 CG PHE A 78 1.119 11.137 0.431 1.00 0.00 C ATOM 1038 CD1 PHE A 78 0.693 9.820 0.514 1.00 0.00 C ATOM 1039 CD2 PHE A 78 0.171 12.138 0.285 1.00 0.00 C ATOM 1040 CE1 PHE A 78 -0.650 9.507 0.453 1.00 0.00 C ATOM 1041 CE2 PHE A 78 -1.173 11.830 0.223 1.00 0.00 C ATOM 1042 CZ PHE A 78 -1.584 10.514 0.308 1.00 0.00 C ATOM 0 H PHE A 78 4.926 10.728 0.353 1.00 0.00 H new ATOM 0 HA PHE A 78 2.765 10.573 -1.457 1.00 0.00 H new ATOM 0 HB2 PHE A 78 3.059 10.831 1.237 1.00 0.00 H new ATOM 0 HB3 PHE A 78 2.699 12.497 0.832 1.00 0.00 H new ATOM 0 HD1 PHE A 78 1.420 9.030 0.628 1.00 0.00 H new ATOM 0 HD2 PHE A 78 0.487 13.169 0.219 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -0.970 8.477 0.518 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -1.903 12.618 0.108 1.00 0.00 H new ATOM 0 HZ PHE A 78 -2.636 10.273 0.261 1.00 0.00 H new ATOM 1052 N ASP A 79 4.434 13.324 -1.564 1.00 0.00 N ATOM 1053 CA ASP A 79 4.545 14.604 -2.256 1.00 0.00 C ATOM 1054 C ASP A 79 4.993 14.407 -3.701 1.00 0.00 C ATOM 1055 O ASP A 79 4.740 15.253 -4.560 1.00 0.00 O ATOM 1056 CB ASP A 79 5.525 15.529 -1.530 1.00 0.00 C ATOM 1057 CG ASP A 79 6.949 15.392 -2.033 1.00 0.00 C ATOM 1058 OD1 ASP A 79 7.581 14.352 -1.752 1.00 0.00 O ATOM 1059 OD2 ASP A 79 7.440 16.317 -2.712 1.00 0.00 O ATOM 0 H ASP A 79 5.277 13.032 -1.069 1.00 0.00 H new ATOM 0 HA ASP A 79 3.558 15.067 -2.258 1.00 0.00 H new ATOM 0 HB2 ASP A 79 5.200 16.562 -1.652 1.00 0.00 H new ATOM 0 HB3 ASP A 79 5.500 15.311 -0.462 1.00 0.00 H new ATOM 1064 N GLY A 80 5.650 13.292 -3.966 1.00 0.00 N ATOM 1065 CA GLY A 80 6.123 13.015 -5.308 1.00 0.00 C ATOM 1066 C GLY A 80 7.615 12.754 -5.358 1.00 0.00 C ATOM 1067 O GLY A 80 8.130 12.287 -6.374 1.00 0.00 O ATOM 0 H GLY A 80 5.866 12.571 -3.277 1.00 0.00 H new ATOM 0 HA2 GLY A 80 5.593 12.149 -5.704 1.00 0.00 H new ATOM 0 HA3 GLY A 80 5.884 13.859 -5.955 1.00 0.00 H new ATOM 1071 N THR A 81 8.312 13.068 -4.274 1.00 0.00 N ATOM 1072 CA THR A 81 9.752 12.849 -4.206 1.00 0.00 C ATOM 1073 C THR A 81 10.076 11.364 -4.351 1.00 0.00 C ATOM 1074 O THR A 81 9.486 10.518 -3.677 1.00 0.00 O ATOM 1075 CB THR A 81 10.332 13.375 -2.879 1.00 0.00 C ATOM 1076 OG1 THR A 81 9.982 14.755 -2.712 1.00 0.00 O ATOM 1077 CG2 THR A 81 11.847 13.222 -2.836 1.00 0.00 C ATOM 0 H THR A 81 7.905 13.474 -3.431 1.00 0.00 H new ATOM 0 HA THR A 81 10.208 13.399 -5.029 1.00 0.00 H new ATOM 0 HB THR A 81 9.908 12.785 -2.067 1.00 0.00 H new ATOM 0 HG1 THR A 81 9.286 14.835 -2.027 1.00 0.00 H new ATOM 0 HG21 THR A 81 12.224 13.603 -1.887 1.00 0.00 H new ATOM 0 HG22 THR A 81 12.109 12.169 -2.935 1.00 0.00 H new ATOM 0 HG23 THR A 81 12.293 13.785 -3.656 1.00 0.00 H new ATOM 1085 N ARG A 82 11.005 11.051 -5.237 1.00 0.00 N ATOM 1086 CA ARG A 82 11.392 9.670 -5.467 1.00 0.00 C ATOM 1087 C ARG A 82 12.650 9.317 -4.679 1.00 0.00 C ATOM 1088 O ARG A 82 13.594 10.107 -4.607 1.00 0.00 O ATOM 1089 CB ARG A 82 11.607 9.407 -6.957 1.00 0.00 C ATOM 1090 CG ARG A 82 12.589 10.358 -7.616 1.00 0.00 C ATOM 1091 CD ARG A 82 12.979 9.880 -9.004 1.00 0.00 C ATOM 1092 NE ARG A 82 13.362 8.468 -9.010 1.00 0.00 N ATOM 1093 CZ ARG A 82 14.547 8.008 -8.605 1.00 0.00 C ATOM 1094 NH1 ARG A 82 15.490 8.842 -8.177 1.00 0.00 N ATOM 1095 NH2 ARG A 82 14.790 6.703 -8.641 1.00 0.00 N ATOM 0 H ARG A 82 11.505 11.733 -5.808 1.00 0.00 H new ATOM 0 HA ARG A 82 10.579 9.033 -5.118 1.00 0.00 H new ATOM 0 HB2 ARG A 82 11.963 8.385 -7.087 1.00 0.00 H new ATOM 0 HB3 ARG A 82 10.648 9.478 -7.470 1.00 0.00 H new ATOM 0 HG2 ARG A 82 12.146 11.352 -7.683 1.00 0.00 H new ATOM 0 HG3 ARG A 82 13.481 10.448 -6.997 1.00 0.00 H new ATOM 0 HD2 ARG A 82 12.144 10.032 -9.688 1.00 0.00 H new ATOM 0 HD3 ARG A 82 13.808 10.482 -9.375 1.00 0.00 H new ATOM 0 HE ARG A 82 12.678 7.790 -9.346 1.00 0.00 H new ATOM 0 HH11 ARG A 82 15.311 9.846 -8.156 1.00 0.00 H new ATOM 0 HH12 ARG A 82 16.392 8.478 -7.870 1.00 0.00 H new ATOM 0 HH21 ARG A 82 14.073 6.060 -8.977 1.00 0.00 H new ATOM 0 HH22 ARG A 82 15.694 6.344 -8.333 1.00 0.00 H new ATOM 1109 N TRP A 83 12.650 8.131 -4.089 1.00 0.00 N ATOM 1110 CA TRP A 83 13.784 7.667 -3.306 1.00 0.00 C ATOM 1111 C TRP A 83 14.675 6.760 -4.142 1.00 0.00 C ATOM 1112 O TRP A 83 15.885 6.959 -4.213 1.00 0.00 O ATOM 1113 CB TRP A 83 13.295 6.917 -2.070 1.00 0.00 C ATOM 1114 CG TRP A 83 14.029 7.285 -0.818 1.00 0.00 C ATOM 1115 CD1 TRP A 83 15.002 6.560 -0.193 1.00 0.00 C ATOM 1116 CD2 TRP A 83 13.842 8.466 -0.034 1.00 0.00 C ATOM 1117 NE1 TRP A 83 15.429 7.219 0.933 1.00 0.00 N ATOM 1118 CE2 TRP A 83 14.732 8.391 1.053 1.00 0.00 C ATOM 1119 CE3 TRP A 83 13.008 9.580 -0.147 1.00 0.00 C ATOM 1120 CZ2 TRP A 83 14.810 9.388 2.021 1.00 0.00 C ATOM 1121 CZ3 TRP A 83 13.085 10.569 0.814 1.00 0.00 C ATOM 1122 CH2 TRP A 83 13.981 10.467 1.885 1.00 0.00 C ATOM 0 H TRP A 83 11.874 7.471 -4.138 1.00 0.00 H new ATOM 0 HA TRP A 83 14.365 8.534 -2.992 1.00 0.00 H new ATOM 0 HB2 TRP A 83 12.233 7.116 -1.931 1.00 0.00 H new ATOM 0 HB3 TRP A 83 13.398 5.845 -2.241 1.00 0.00 H new ATOM 0 HD1 TRP A 83 15.380 5.608 -0.534 1.00 0.00 H new ATOM 0 HE1 TRP A 83 16.149 6.889 1.576 1.00 0.00 H new ATOM 0 HE3 TRP A 83 12.315 9.667 -0.971 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 15.500 9.312 2.849 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 12.444 11.435 0.738 1.00 0.00 H new ATOM 0 HH2 TRP A 83 14.018 11.258 2.620 1.00 0.00 H new ATOM 1133 N GLY A 84 14.064 5.769 -4.775 1.00 0.00 N ATOM 1134 CA GLY A 84 14.810 4.840 -5.592 1.00 0.00 C ATOM 1135 C GLY A 84 14.207 3.455 -5.559 1.00 0.00 C ATOM 1136 O GLY A 84 13.149 3.250 -4.958 1.00 0.00 O ATOM 0 H GLY A 84 13.060 5.593 -4.736 1.00 0.00 H new ATOM 0 HA2 GLY A 84 14.837 5.200 -6.620 1.00 0.00 H new ATOM 0 HA3 GLY A 84 15.842 4.796 -5.243 1.00 0.00 H new ATOM 1140 N THR A 85 14.868 2.508 -6.204 1.00 0.00 N ATOM 1141 CA THR A 85 14.391 1.137 -6.244 1.00 0.00 C ATOM 1142 C THR A 85 14.752 0.398 -4.958 1.00 0.00 C ATOM 1143 O THR A 85 15.931 0.256 -4.616 1.00 0.00 O ATOM 1144 CB THR A 85 14.974 0.382 -7.454 1.00 0.00 C ATOM 1145 OG1 THR A 85 14.804 1.168 -8.640 1.00 0.00 O ATOM 1146 CG2 THR A 85 14.288 -0.966 -7.635 1.00 0.00 C ATOM 0 H THR A 85 15.740 2.665 -6.709 1.00 0.00 H new ATOM 0 HA THR A 85 13.306 1.172 -6.341 1.00 0.00 H new ATOM 0 HB THR A 85 16.035 0.210 -7.273 1.00 0.00 H new ATOM 0 HG1 THR A 85 13.854 1.202 -8.876 1.00 0.00 H new ATOM 0 HG21 THR A 85 14.717 -1.480 -8.495 1.00 0.00 H new ATOM 0 HG22 THR A 85 14.434 -1.572 -6.741 1.00 0.00 H new ATOM 0 HG23 THR A 85 13.221 -0.812 -7.799 1.00 0.00 H new ATOM 1154 N VAL A 86 13.731 -0.045 -4.239 1.00 0.00 N ATOM 1155 CA VAL A 86 13.917 -0.775 -2.996 1.00 0.00 C ATOM 1156 C VAL A 86 13.926 -2.271 -3.276 1.00 0.00 C ATOM 1157 O VAL A 86 13.046 -2.783 -3.976 1.00 0.00 O ATOM 1158 CB VAL A 86 12.791 -0.460 -1.988 1.00 0.00 C ATOM 1159 CG1 VAL A 86 13.196 -0.866 -0.577 1.00 0.00 C ATOM 1160 CG2 VAL A 86 12.426 1.015 -2.037 1.00 0.00 C ATOM 0 H VAL A 86 12.755 0.091 -4.500 1.00 0.00 H new ATOM 0 HA VAL A 86 14.869 -0.466 -2.564 1.00 0.00 H new ATOM 0 HB VAL A 86 11.913 -1.041 -2.269 1.00 0.00 H new ATOM 0 HG11 VAL A 86 12.386 -0.634 0.115 1.00 0.00 H new ATOM 0 HG12 VAL A 86 13.400 -1.936 -0.551 1.00 0.00 H new ATOM 0 HG13 VAL A 86 14.092 -0.319 -0.284 1.00 0.00 H new ATOM 0 HG21 VAL A 86 11.631 1.217 -1.320 1.00 0.00 H new ATOM 0 HG22 VAL A 86 13.301 1.615 -1.787 1.00 0.00 H new ATOM 0 HG23 VAL A 86 12.084 1.272 -3.040 1.00 0.00 H new ATOM 1170 N ASP A 87 14.926 -2.962 -2.752 1.00 0.00 N ATOM 1171 CA ASP A 87 15.038 -4.401 -2.955 1.00 0.00 C ATOM 1172 C ASP A 87 14.310 -5.162 -1.852 1.00 0.00 C ATOM 1173 O ASP A 87 14.604 -4.995 -0.668 1.00 0.00 O ATOM 1174 CB ASP A 87 16.506 -4.837 -3.000 1.00 0.00 C ATOM 1175 CG ASP A 87 16.652 -6.341 -3.135 1.00 0.00 C ATOM 1176 OD1 ASP A 87 16.665 -6.841 -4.279 1.00 0.00 O ATOM 1177 OD2 ASP A 87 16.740 -7.033 -2.098 1.00 0.00 O ATOM 0 H ASP A 87 15.669 -2.554 -2.185 1.00 0.00 H new ATOM 0 HA ASP A 87 14.574 -4.635 -3.913 1.00 0.00 H new ATOM 0 HB2 ASP A 87 17.003 -4.349 -3.838 1.00 0.00 H new ATOM 0 HB3 ASP A 87 17.010 -4.504 -2.093 1.00 0.00 H new ATOM 1182 N CYS A 88 13.374 -6.004 -2.250 1.00 0.00 N ATOM 1183 CA CYS A 88 12.601 -6.798 -1.307 1.00 0.00 C ATOM 1184 C CYS A 88 13.057 -8.254 -1.355 1.00 0.00 C ATOM 1185 O CYS A 88 12.321 -9.169 -0.988 1.00 0.00 O ATOM 1186 CB CYS A 88 11.105 -6.692 -1.630 1.00 0.00 C ATOM 1187 SG CYS A 88 10.008 -6.905 -0.190 1.00 0.00 S ATOM 0 H CYS A 88 13.128 -6.158 -3.228 1.00 0.00 H new ATOM 0 HA CYS A 88 12.765 -6.414 -0.300 1.00 0.00 H new ATOM 0 HB2 CYS A 88 10.911 -5.718 -2.079 1.00 0.00 H new ATOM 0 HB3 CYS A 88 10.853 -7.444 -2.378 1.00 0.00 H new ATOM 1192 N THR A 89 14.284 -8.465 -1.813 1.00 0.00 N ATOM 1193 CA THR A 89 14.838 -9.805 -1.893 1.00 0.00 C ATOM 1194 C THR A 89 15.549 -10.140 -0.586 1.00 0.00 C ATOM 1195 O THR A 89 15.600 -11.296 -0.167 1.00 0.00 O ATOM 1196 CB THR A 89 15.818 -9.945 -3.078 1.00 0.00 C ATOM 1197 OG1 THR A 89 15.366 -9.147 -4.185 1.00 0.00 O ATOM 1198 CG2 THR A 89 15.940 -11.398 -3.523 1.00 0.00 C ATOM 0 H THR A 89 14.911 -7.727 -2.133 1.00 0.00 H new ATOM 0 HA THR A 89 14.018 -10.503 -2.058 1.00 0.00 H new ATOM 0 HB THR A 89 16.797 -9.599 -2.746 1.00 0.00 H new ATOM 0 HG1 THR A 89 16.004 -8.421 -4.347 1.00 0.00 H new ATOM 0 HG21 THR A 89 16.637 -11.465 -4.359 1.00 0.00 H new ATOM 0 HG22 THR A 89 16.308 -12.003 -2.694 1.00 0.00 H new ATOM 0 HG23 THR A 89 14.963 -11.766 -3.835 1.00 0.00 H new ATOM 1206 N THR A 90 16.082 -9.108 0.059 1.00 0.00 N ATOM 1207 CA THR A 90 16.777 -9.265 1.329 1.00 0.00 C ATOM 1208 C THR A 90 16.015 -8.548 2.446 1.00 0.00 C ATOM 1209 O THR A 90 16.517 -8.394 3.563 1.00 0.00 O ATOM 1210 CB THR A 90 18.226 -8.714 1.250 1.00 0.00 C ATOM 1211 OG1 THR A 90 18.958 -9.063 2.434 1.00 0.00 O ATOM 1212 CG2 THR A 90 18.227 -7.197 1.074 1.00 0.00 C ATOM 0 H THR A 90 16.045 -8.147 -0.281 1.00 0.00 H new ATOM 0 HA THR A 90 16.825 -10.331 1.550 1.00 0.00 H new ATOM 0 HB THR A 90 18.708 -9.165 0.383 1.00 0.00 H new ATOM 0 HG1 THR A 90 18.409 -8.878 3.224 1.00 0.00 H new ATOM 0 HG21 THR A 90 19.255 -6.837 1.022 1.00 0.00 H new ATOM 0 HG22 THR A 90 17.704 -6.937 0.153 1.00 0.00 H new ATOM 0 HG23 THR A 90 17.723 -6.732 1.921 1.00 0.00 H new ATOM 1220 N ALA A 91 14.793 -8.124 2.143 1.00 0.00 N ATOM 1221 CA ALA A 91 13.972 -7.409 3.109 1.00 0.00 C ATOM 1222 C ALA A 91 12.514 -7.833 3.013 1.00 0.00 C ATOM 1223 O ALA A 91 12.107 -8.485 2.052 1.00 0.00 O ATOM 1224 CB ALA A 91 14.099 -5.907 2.902 1.00 0.00 C ATOM 0 H ALA A 91 14.350 -8.264 1.235 1.00 0.00 H new ATOM 0 HA ALA A 91 14.331 -7.660 4.107 1.00 0.00 H new ATOM 0 HB1 ALA A 91 13.479 -5.385 3.632 1.00 0.00 H new ATOM 0 HB2 ALA A 91 15.140 -5.609 3.030 1.00 0.00 H new ATOM 0 HB3 ALA A 91 13.769 -5.649 1.896 1.00 0.00 H new ATOM 1230 N ALA A 92 11.740 -7.474 4.025 1.00 0.00 N ATOM 1231 CA ALA A 92 10.328 -7.810 4.060 1.00 0.00 C ATOM 1232 C ALA A 92 9.468 -6.588 3.757 1.00 0.00 C ATOM 1233 O ALA A 92 9.575 -5.556 4.423 1.00 0.00 O ATOM 1234 CB ALA A 92 9.960 -8.399 5.413 1.00 0.00 C ATOM 0 H ALA A 92 12.069 -6.948 4.835 1.00 0.00 H new ATOM 0 HA ALA A 92 10.135 -8.556 3.289 1.00 0.00 H new ATOM 0 HB1 ALA A 92 8.899 -8.646 5.426 1.00 0.00 H new ATOM 0 HB2 ALA A 92 10.545 -9.302 5.588 1.00 0.00 H new ATOM 0 HB3 ALA A 92 10.172 -7.671 6.196 1.00 0.00 H new ATOM 1240 N CYS A 93 8.624 -6.708 2.747 1.00 0.00 N ATOM 1241 CA CYS A 93 7.744 -5.620 2.353 1.00 0.00 C ATOM 1242 C CYS A 93 6.445 -5.663 3.149 1.00 0.00 C ATOM 1243 O CYS A 93 6.170 -6.626 3.867 1.00 0.00 O ATOM 1244 CB CYS A 93 7.439 -5.688 0.852 1.00 0.00 C ATOM 1245 SG CYS A 93 8.846 -5.242 -0.216 1.00 0.00 S ATOM 0 H CYS A 93 8.529 -7.552 2.182 1.00 0.00 H new ATOM 0 HA CYS A 93 8.254 -4.681 2.566 1.00 0.00 H new ATOM 0 HB2 CYS A 93 7.115 -6.699 0.604 1.00 0.00 H new ATOM 0 HB3 CYS A 93 6.604 -5.022 0.632 1.00 0.00 H new ATOM 1250 N GLN A 94 5.652 -4.616 3.022 1.00 0.00 N ATOM 1251 CA GLN A 94 4.380 -4.525 3.715 1.00 0.00 C ATOM 1252 C GLN A 94 3.393 -3.751 2.858 1.00 0.00 C ATOM 1253 O GLN A 94 3.792 -3.083 1.911 1.00 0.00 O ATOM 1254 CB GLN A 94 4.544 -3.843 5.075 1.00 0.00 C ATOM 1255 CG GLN A 94 5.104 -2.437 4.984 1.00 0.00 C ATOM 1256 CD GLN A 94 4.977 -1.679 6.286 1.00 0.00 C ATOM 1257 OE1 GLN A 94 5.018 -2.263 7.368 1.00 0.00 O ATOM 1258 NE2 GLN A 94 4.829 -0.369 6.187 1.00 0.00 N ATOM 0 H GLN A 94 5.869 -3.808 2.439 1.00 0.00 H new ATOM 0 HA GLN A 94 4.003 -5.533 3.888 1.00 0.00 H new ATOM 0 HB2 GLN A 94 3.576 -3.808 5.574 1.00 0.00 H new ATOM 0 HB3 GLN A 94 5.202 -4.448 5.699 1.00 0.00 H new ATOM 0 HG2 GLN A 94 6.154 -2.485 4.696 1.00 0.00 H new ATOM 0 HG3 GLN A 94 4.583 -1.892 4.197 1.00 0.00 H new ATOM 0 HE21 GLN A 94 4.800 0.073 5.268 1.00 0.00 H new ATOM 0 HE22 GLN A 94 4.743 0.200 7.029 1.00 0.00 H new ATOM 1267 N VAL A 95 2.117 -3.848 3.182 1.00 0.00 N ATOM 1268 CA VAL A 95 1.086 -3.150 2.429 1.00 0.00 C ATOM 1269 C VAL A 95 0.706 -1.862 3.142 1.00 0.00 C ATOM 1270 O VAL A 95 0.230 -1.895 4.276 1.00 0.00 O ATOM 1271 CB VAL A 95 -0.181 -4.015 2.248 1.00 0.00 C ATOM 1272 CG1 VAL A 95 -0.901 -3.652 0.957 1.00 0.00 C ATOM 1273 CG2 VAL A 95 0.159 -5.500 2.283 1.00 0.00 C ATOM 0 H VAL A 95 1.767 -4.404 3.962 1.00 0.00 H new ATOM 0 HA VAL A 95 1.496 -2.932 1.443 1.00 0.00 H new ATOM 0 HB VAL A 95 -0.852 -3.808 3.081 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -1.790 -4.273 0.849 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -1.193 -2.602 0.986 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -0.236 -3.820 0.110 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -0.752 -6.085 2.153 1.00 0.00 H new ATOM 0 HG22 VAL A 95 0.857 -5.732 1.479 1.00 0.00 H new ATOM 0 HG23 VAL A 95 0.615 -5.746 3.242 1.00 0.00 H new ATOM 1283 N GLY A 96 0.928 -0.734 2.485 1.00 0.00 N ATOM 1284 CA GLY A 96 0.609 0.543 3.077 1.00 0.00 C ATOM 1285 C GLY A 96 -0.683 1.120 2.546 1.00 0.00 C ATOM 1286 O GLY A 96 -0.880 1.208 1.333 1.00 0.00 O ATOM 0 H GLY A 96 1.326 -0.683 1.547 1.00 0.00 H new ATOM 0 HA2 GLY A 96 0.535 0.430 4.159 1.00 0.00 H new ATOM 0 HA3 GLY A 96 1.422 1.243 2.884 1.00 0.00 H new ATOM 1290 N LEU A 97 -1.563 1.499 3.458 1.00 0.00 N ATOM 1291 CA LEU A 97 -2.848 2.078 3.101 1.00 0.00 C ATOM 1292 C LEU A 97 -2.897 3.528 3.557 1.00 0.00 C ATOM 1293 O LEU A 97 -2.849 3.807 4.757 1.00 0.00 O ATOM 1294 CB LEU A 97 -3.993 1.299 3.751 1.00 0.00 C ATOM 1295 CG LEU A 97 -4.150 -0.156 3.298 1.00 0.00 C ATOM 1296 CD1 LEU A 97 -3.272 -1.083 4.126 1.00 0.00 C ATOM 1297 CD2 LEU A 97 -5.605 -0.582 3.389 1.00 0.00 C ATOM 0 H LEU A 97 -1.408 1.415 4.463 1.00 0.00 H new ATOM 0 HA LEU A 97 -2.963 2.027 2.018 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -3.848 1.310 4.831 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -4.926 1.825 3.550 1.00 0.00 H new ATOM 0 HG LEU A 97 -3.828 -0.225 2.259 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -3.403 -2.110 3.784 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -2.228 -0.793 4.012 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -3.556 -1.012 5.176 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -5.702 -1.618 3.064 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -5.947 -0.492 4.420 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -6.212 0.057 2.748 1.00 0.00 H new ATOM 1309 N SER A 98 -2.978 4.446 2.609 1.00 0.00 N ATOM 1310 CA SER A 98 -3.012 5.859 2.940 1.00 0.00 C ATOM 1311 C SER A 98 -4.115 6.582 2.178 1.00 0.00 C ATOM 1312 O SER A 98 -4.220 6.462 0.957 1.00 0.00 O ATOM 1313 CB SER A 98 -1.657 6.490 2.617 1.00 0.00 C ATOM 1314 OG SER A 98 -0.731 5.511 2.172 1.00 0.00 O ATOM 0 H SER A 98 -3.021 4.240 1.611 1.00 0.00 H new ATOM 0 HA SER A 98 -3.222 5.957 4.005 1.00 0.00 H new ATOM 0 HB2 SER A 98 -1.782 7.253 1.849 1.00 0.00 H new ATOM 0 HB3 SER A 98 -1.265 6.990 3.503 1.00 0.00 H new ATOM 0 HG SER A 98 0.127 5.940 1.970 1.00 0.00 H new ATOM 1320 N ASP A 99 -4.956 7.307 2.907 1.00 0.00 N ATOM 1321 CA ASP A 99 -6.034 8.073 2.292 1.00 0.00 C ATOM 1322 C ASP A 99 -5.466 9.344 1.661 1.00 0.00 C ATOM 1323 O ASP A 99 -4.250 9.489 1.552 1.00 0.00 O ATOM 1324 CB ASP A 99 -7.108 8.431 3.332 1.00 0.00 C ATOM 1325 CG ASP A 99 -6.768 9.674 4.133 1.00 0.00 C ATOM 1326 OD1 ASP A 99 -5.780 9.650 4.887 1.00 0.00 O ATOM 1327 OD2 ASP A 99 -7.485 10.688 4.001 1.00 0.00 O ATOM 0 H ASP A 99 -4.912 7.380 3.923 1.00 0.00 H new ATOM 0 HA ASP A 99 -6.500 7.464 1.517 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -8.061 8.582 2.825 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -7.240 7.591 4.014 1.00 0.00 H new ATOM 1332 N ALA A 100 -6.343 10.259 1.254 1.00 0.00 N ATOM 1333 CA ALA A 100 -5.917 11.517 0.647 1.00 0.00 C ATOM 1334 C ALA A 100 -4.971 12.286 1.571 1.00 0.00 C ATOM 1335 O ALA A 100 -4.085 13.009 1.107 1.00 0.00 O ATOM 1336 CB ALA A 100 -7.124 12.372 0.296 1.00 0.00 C ATOM 0 H ALA A 100 -7.354 10.152 1.334 1.00 0.00 H new ATOM 0 HA ALA A 100 -5.375 11.281 -0.268 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -6.789 13.306 -0.155 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -7.758 11.835 -0.409 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -7.692 12.589 1.201 1.00 0.00 H new ATOM 1342 N ALA A 101 -5.174 12.135 2.876 1.00 0.00 N ATOM 1343 CA ALA A 101 -4.332 12.789 3.866 1.00 0.00 C ATOM 1344 C ALA A 101 -3.098 11.942 4.162 1.00 0.00 C ATOM 1345 O ALA A 101 -1.964 12.418 4.072 1.00 0.00 O ATOM 1346 CB ALA A 101 -5.121 13.040 5.141 1.00 0.00 C ATOM 0 H ALA A 101 -5.919 11.562 3.272 1.00 0.00 H new ATOM 0 HA ALA A 101 -4.002 13.747 3.464 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -4.481 13.530 5.875 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -5.975 13.680 4.920 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -5.474 12.090 5.544 1.00 0.00 H new ATOM 1352 N GLY A 102 -3.324 10.681 4.501 1.00 0.00 N ATOM 1353 CA GLY A 102 -2.226 9.785 4.802 1.00 0.00 C ATOM 1354 C GLY A 102 -2.512 8.898 5.997 1.00 0.00 C ATOM 1355 O GLY A 102 -1.596 8.501 6.719 1.00 0.00 O ATOM 0 H GLY A 102 -4.251 10.261 4.573 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -2.021 9.162 3.932 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -1.326 10.370 4.994 1.00 0.00 H new ATOM 1359 N ASN A 103 -3.784 8.590 6.213 1.00 0.00 N ATOM 1360 CA ASN A 103 -4.196 7.748 7.327 1.00 0.00 C ATOM 1361 C ASN A 103 -5.052 6.594 6.827 1.00 0.00 C ATOM 1362 O ASN A 103 -5.224 6.419 5.618 1.00 0.00 O ATOM 1363 CB ASN A 103 -4.982 8.564 8.360 1.00 0.00 C ATOM 1364 CG ASN A 103 -4.085 9.396 9.253 1.00 0.00 C ATOM 1365 OD1 ASN A 103 -3.643 8.941 10.305 1.00 0.00 O ATOM 1366 ND2 ASN A 103 -3.823 10.627 8.841 1.00 0.00 N ATOM 0 H ASN A 103 -4.553 8.914 5.626 1.00 0.00 H new ATOM 0 HA ASN A 103 -3.300 7.350 7.802 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -5.682 9.220 7.842 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -5.575 7.888 8.976 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -3.233 11.239 9.405 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -4.212 10.963 7.960 1.00 0.00 H new ATOM 1373 N GLY A 104 -5.586 5.816 7.756 1.00 0.00 N ATOM 1374 CA GLY A 104 -6.421 4.690 7.394 1.00 0.00 C ATOM 1375 C GLY A 104 -5.995 3.425 8.107 1.00 0.00 C ATOM 1376 O GLY A 104 -5.400 3.495 9.185 1.00 0.00 O ATOM 0 H GLY A 104 -5.455 5.945 8.759 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -7.459 4.914 7.639 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -6.374 4.534 6.316 1.00 0.00 H new ATOM 1380 N PRO A 105 -6.293 2.246 7.542 1.00 0.00 N ATOM 1381 CA PRO A 105 -5.911 0.962 8.143 1.00 0.00 C ATOM 1382 C PRO A 105 -4.397 0.837 8.307 1.00 0.00 C ATOM 1383 O PRO A 105 -3.626 1.405 7.527 1.00 0.00 O ATOM 1384 CB PRO A 105 -6.433 -0.077 7.147 1.00 0.00 C ATOM 1385 CG PRO A 105 -7.485 0.638 6.368 1.00 0.00 C ATOM 1386 CD PRO A 105 -7.034 2.066 6.286 1.00 0.00 C ATOM 0 HA PRO A 105 -6.321 0.842 9.146 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -5.636 -0.438 6.497 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -6.843 -0.946 7.661 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -7.597 0.206 5.374 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -8.455 0.562 6.860 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -6.402 2.241 5.415 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -7.877 2.753 6.212 1.00 0.00 H new ATOM 1394 N GLU A 106 -3.984 0.114 9.335 1.00 0.00 N ATOM 1395 CA GLU A 106 -2.571 -0.091 9.617 1.00 0.00 C ATOM 1396 C GLU A 106 -1.931 -0.977 8.552 1.00 0.00 C ATOM 1397 O GLU A 106 -2.570 -1.889 8.019 1.00 0.00 O ATOM 1398 CB GLU A 106 -2.409 -0.714 11.001 1.00 0.00 C ATOM 1399 CG GLU A 106 -1.031 -0.522 11.603 1.00 0.00 C ATOM 1400 CD GLU A 106 -1.007 -0.854 13.076 1.00 0.00 C ATOM 1401 OE1 GLU A 106 -1.547 -0.061 13.880 1.00 0.00 O ATOM 1402 OE2 GLU A 106 -0.454 -1.910 13.440 1.00 0.00 O ATOM 0 H GLU A 106 -4.613 -0.345 9.994 1.00 0.00 H new ATOM 0 HA GLU A 106 -2.064 0.874 9.600 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -3.151 -0.282 11.672 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -2.621 -1.781 10.935 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -0.314 -1.153 11.077 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -0.713 0.510 11.459 1.00 0.00 H new ATOM 1409 N GLY A 107 -0.672 -0.695 8.242 1.00 0.00 N ATOM 1410 CA GLY A 107 0.034 -1.465 7.243 1.00 0.00 C ATOM 1411 C GLY A 107 0.416 -2.846 7.732 1.00 0.00 C ATOM 1412 O GLY A 107 1.049 -2.988 8.778 1.00 0.00 O ATOM 0 H GLY A 107 -0.128 0.056 8.667 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -0.590 -1.558 6.354 1.00 0.00 H new ATOM 0 HA3 GLY A 107 0.934 -0.928 6.945 1.00 0.00 H new ATOM 1416 N VAL A 108 0.028 -3.863 6.980 1.00 0.00 N ATOM 1417 CA VAL A 108 0.336 -5.241 7.339 1.00 0.00 C ATOM 1418 C VAL A 108 1.581 -5.705 6.590 1.00 0.00 C ATOM 1419 O VAL A 108 1.691 -5.503 5.379 1.00 0.00 O ATOM 1420 CB VAL A 108 -0.838 -6.192 7.016 1.00 0.00 C ATOM 1421 CG1 VAL A 108 -0.637 -7.540 7.691 1.00 0.00 C ATOM 1422 CG2 VAL A 108 -2.165 -5.577 7.436 1.00 0.00 C ATOM 0 H VAL A 108 -0.502 -3.762 6.115 1.00 0.00 H new ATOM 0 HA VAL A 108 0.512 -5.271 8.414 1.00 0.00 H new ATOM 0 HB VAL A 108 -0.861 -6.347 5.937 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -1.474 -8.195 7.451 1.00 0.00 H new ATOM 0 HG12 VAL A 108 0.290 -7.990 7.335 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -0.582 -7.402 8.771 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -2.976 -6.265 7.198 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -2.154 -5.386 8.509 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -2.317 -4.639 6.902 1.00 0.00 H new ATOM 1432 N ALA A 109 2.515 -6.316 7.308 1.00 0.00 N ATOM 1433 CA ALA A 109 3.752 -6.787 6.701 1.00 0.00 C ATOM 1434 C ALA A 109 3.581 -8.169 6.082 1.00 0.00 C ATOM 1435 O ALA A 109 2.702 -8.935 6.475 1.00 0.00 O ATOM 1436 CB ALA A 109 4.872 -6.807 7.735 1.00 0.00 C ATOM 0 H ALA A 109 2.439 -6.496 8.309 1.00 0.00 H new ATOM 0 HA ALA A 109 4.015 -6.095 5.901 1.00 0.00 H new ATOM 0 HB1 ALA A 109 5.791 -7.161 7.269 1.00 0.00 H new ATOM 0 HB2 ALA A 109 5.026 -5.800 8.124 1.00 0.00 H new ATOM 0 HB3 ALA A 109 4.600 -7.474 8.553 1.00 0.00 H new ATOM 1442 N ILE A 110 4.414 -8.474 5.095 1.00 0.00 N ATOM 1443 CA ILE A 110 4.382 -9.766 4.425 1.00 0.00 C ATOM 1444 C ILE A 110 5.804 -10.270 4.228 1.00 0.00 C ATOM 1445 O ILE A 110 6.765 -9.539 4.460 1.00 0.00 O ATOM 1446 CB ILE A 110 3.669 -9.712 3.052 1.00 0.00 C ATOM 1447 CG1 ILE A 110 4.368 -8.724 2.113 1.00 0.00 C ATOM 1448 CG2 ILE A 110 2.200 -9.341 3.221 1.00 0.00 C ATOM 1449 CD1 ILE A 110 3.978 -8.900 0.662 1.00 0.00 C ATOM 0 H ILE A 110 5.126 -7.837 4.739 1.00 0.00 H new ATOM 0 HA ILE A 110 3.814 -10.443 5.062 1.00 0.00 H new ATOM 0 HB ILE A 110 3.723 -10.704 2.605 1.00 0.00 H new ATOM 0 HG12 ILE A 110 4.131 -7.707 2.425 1.00 0.00 H new ATOM 0 HG13 ILE A 110 5.447 -8.843 2.209 1.00 0.00 H new ATOM 0 HG21 ILE A 110 1.718 -9.309 2.244 1.00 0.00 H new ATOM 0 HG22 ILE A 110 1.706 -10.086 3.845 1.00 0.00 H new ATOM 0 HG23 ILE A 110 2.124 -8.363 3.695 1.00 0.00 H new ATOM 0 HD11 ILE A 110 4.509 -8.169 0.051 1.00 0.00 H new ATOM 0 HD12 ILE A 110 4.240 -9.906 0.334 1.00 0.00 H new ATOM 0 HD13 ILE A 110 2.904 -8.752 0.553 1.00 0.00 H new ATOM 1461 N SER A 111 5.935 -11.519 3.820 1.00 0.00 N ATOM 1462 CA SER A 111 7.239 -12.118 3.589 1.00 0.00 C ATOM 1463 C SER A 111 7.123 -13.206 2.537 1.00 0.00 C ATOM 1464 O SER A 111 6.137 -13.950 2.512 1.00 0.00 O ATOM 1465 CB SER A 111 7.802 -12.691 4.891 1.00 0.00 C ATOM 1466 OG SER A 111 8.037 -11.663 5.844 1.00 0.00 O ATOM 0 H SER A 111 5.149 -12.143 3.640 1.00 0.00 H new ATOM 0 HA SER A 111 7.924 -11.350 3.231 1.00 0.00 H new ATOM 0 HB2 SER A 111 7.104 -13.420 5.303 1.00 0.00 H new ATOM 0 HB3 SER A 111 8.732 -13.221 4.686 1.00 0.00 H new ATOM 0 HG SER A 111 8.395 -12.056 6.667 1.00 0.00 H new ATOM 1472 N PHE A 112 8.117 -13.287 1.668 1.00 0.00 N ATOM 1473 CA PHE A 112 8.121 -14.278 0.605 1.00 0.00 C ATOM 1474 C PHE A 112 8.744 -15.578 1.098 1.00 0.00 C ATOM 1475 O PHE A 112 9.352 -15.618 2.173 1.00 0.00 O ATOM 1476 CB PHE A 112 8.897 -13.762 -0.610 1.00 0.00 C ATOM 1477 CG PHE A 112 8.524 -12.364 -1.032 1.00 0.00 C ATOM 1478 CD1 PHE A 112 7.204 -12.018 -1.275 1.00 0.00 C ATOM 1479 CD2 PHE A 112 9.501 -11.398 -1.191 1.00 0.00 C ATOM 1480 CE1 PHE A 112 6.867 -10.736 -1.665 1.00 0.00 C ATOM 1481 CE2 PHE A 112 9.171 -10.114 -1.582 1.00 0.00 C ATOM 1482 CZ PHE A 112 7.853 -9.782 -1.818 1.00 0.00 C ATOM 0 H PHE A 112 8.934 -12.676 1.678 1.00 0.00 H new ATOM 0 HA PHE A 112 7.089 -14.465 0.309 1.00 0.00 H new ATOM 0 HB2 PHE A 112 9.963 -13.789 -0.385 1.00 0.00 H new ATOM 0 HB3 PHE A 112 8.731 -14.439 -1.448 1.00 0.00 H new ATOM 0 HD1 PHE A 112 6.428 -12.760 -1.158 1.00 0.00 H new ATOM 0 HD2 PHE A 112 10.535 -11.650 -1.007 1.00 0.00 H new ATOM 0 HE1 PHE A 112 5.834 -10.481 -1.850 1.00 0.00 H new ATOM 0 HE2 PHE A 112 9.945 -9.371 -1.703 1.00 0.00 H new ATOM 0 HZ PHE A 112 7.593 -8.779 -2.122 1.00 0.00 H new ATOM 1492 N ASN A 113 8.581 -16.637 0.322 1.00 0.00 N ATOM 1493 CA ASN A 113 9.143 -17.932 0.677 1.00 0.00 C ATOM 1494 C ASN A 113 10.595 -18.003 0.238 1.00 0.00 C ATOM 1495 O ASN A 113 11.424 -18.542 1.000 1.00 0.00 O ATOM 1496 CB ASN A 113 8.347 -19.081 0.049 1.00 0.00 C ATOM 1497 CG ASN A 113 8.106 -18.891 -1.436 1.00 0.00 C ATOM 1498 OD1 ASN A 113 8.960 -19.197 -2.267 1.00 0.00 O ATOM 1499 ND2 ASN A 113 6.928 -18.407 -1.780 1.00 0.00 N ATOM 1500 OXT ASN A 113 10.909 -17.486 -0.856 1.00 0.00 O ATOM 0 H ASN A 113 8.065 -16.627 -0.558 1.00 0.00 H new ATOM 0 HA ASN A 113 9.085 -18.039 1.760 1.00 0.00 H new ATOM 0 HB2 ASN A 113 8.883 -20.017 0.208 1.00 0.00 H new ATOM 0 HB3 ASN A 113 7.388 -19.173 0.559 1.00 0.00 H new ATOM 0 HD21 ASN A 113 6.699 -18.275 -2.765 1.00 0.00 H new ATOM 0 HD22 ASN A 113 6.246 -18.165 -1.061 1.00 0.00 H new TER 1507 ASN A 113 HETATM 1508 O1 FLN A 114 3.764 6.665 4.315 1.00 20.00 O HETATM 1509 C8A FLN A 114 4.373 7.826 3.866 1.00 20.00 C HETATM 1510 C4A FLN A 114 4.780 7.984 2.531 1.00 20.00 C HETATM 1511 C4 FLN A 114 4.548 6.865 1.576 1.00 20.00 C HETATM 1512 C3 FLN A 114 3.900 5.669 2.121 1.00 20.00 C HETATM 1513 C2 FLN A 114 3.539 5.611 3.433 1.00 20.00 C HETATM 1514 C1' FLN A 114 2.875 4.514 4.224 1.00 20.00 C HETATM 1515 C2' FLN A 114 1.503 4.573 4.493 1.00 20.00 C HETATM 1516 C3' FLN A 114 0.897 3.554 5.228 1.00 20.00 C HETATM 1517 C4' FLN A 114 1.605 2.450 5.723 1.00 20.00 C HETATM 1518 C5' FLN A 114 2.974 2.432 5.426 1.00 20.00 C HETATM 1519 C6' FLN A 114 3.606 3.432 4.695 1.00 20.00 C HETATM 1520 O4 FLN A 114 4.887 6.958 0.390 1.00 20.00 O HETATM 1521 C5 FLN A 114 5.394 9.197 2.136 1.00 20.00 C HETATM 1522 C6 FLN A 114 5.586 10.218 3.083 1.00 20.00 C HETATM 1523 C7 FLN A 114 5.161 10.025 4.416 1.00 20.00 C HETATM 1524 C8 FLN A 114 4.558 8.832 4.810 1.00 20.00 C HETATM 0 H8 FLN A 114 4.236 8.689 5.842 1.00 20.00 H new HETATM 0 H7 FLN A 114 5.307 10.820 5.147 1.00 20.00 H new HETATM 0 H6' FLN A 114 4.675 3.366 4.492 1.00 20.00 H new HETATM 0 H6 FLN A 114 6.061 11.154 2.790 1.00 20.00 H new HETATM 0 H5' FLN A 114 3.572 1.594 5.785 1.00 20.00 H new HETATM 0 H5 FLN A 114 5.716 9.338 1.104 1.00 20.00 H new HETATM 0 H4' FLN A 114 1.124 1.660 6.299 1.00 20.00 H new HETATM 0 H3' FLN A 114 -0.173 3.619 5.426 1.00 20.00 H new HETATM 0 H3 FLN A 114 3.705 4.817 1.470 1.00 20.00 H new HETATM 0 H2' FLN A 114 0.910 5.412 4.129 1.00 20.00 H new