USER MOD reduce.3.24.130724 H: found=0, std=0, add=740, rem=0, adj=25 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 14 SER OG : rot -105:sc= 0.79 USER MOD Set 1.2: A 113 ASN : amide:sc= 0.818 K(o=1.6,f=1.1) USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 50:sc= 0.956 USER MOD Single : A 6 THR OG1 : rot 54:sc= 1.2 USER MOD Single : A 8 THR OG1 : rot 180:sc= -0.385 USER MOD Single : A 10 SER OG : rot 180:sc= -0.0534 USER MOD Single : A 11 SER OG : rot 180:sc= -0.277 USER MOD Single : A 17 THR OG1 : rot 94:sc= 0.86 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN : amide:sc= -0.202 K(o=-0.2,f=-0.8) USER MOD Single : A 30 THR OG1 : rot -150:sc= -0.478 USER MOD Single : A 32 TYR OH : rot 180:sc= -0.12 USER MOD Single : A 36 GLN : amide:sc= 3.3 K(o=3.3,f=-8.1!) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0.0199 USER MOD Single : A 48 ASN : amide:sc= -3.71! C(o=-3.7!,f=-6.2!) USER MOD Single : A 53 SER OG : rot 180:sc= -0.0018 USER MOD Single : A 54 SER OG : rot 180:sc= 0.0778 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= 1.11 K(o=1.1,f=-0.039) USER MOD Single : A 62 SER OG : rot 58:sc= 1.29 USER MOD Single : A 64 SER OG : rot 16:sc= 0.872 USER MOD Single : A 65 THR OG1 : rot 140:sc= -0.024 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 -71:sc= 1.21 USER MOD Single : A 81 THR OG1 : rot 180:sc= -0.116 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 THR OG1 : rot 111:sc= 0.0877 USER MOD Single : A 90 THR OG1 : rot -46:sc= 0.129 USER MOD Single : A 94 GLN : amide:sc= -0.677 K(o=-0.68,f=-1.8!) USER MOD Single : A 98 SER OG : rot 180:sc= -0.0134 USER MOD Single : A 103 ASN : amide:sc= 0.444 K(o=0.44,f=-4.5!) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -16.593 5.059 15.840 1.00 0.00 N ATOM 2 CA ALA A 1 -17.017 3.916 15.001 1.00 0.00 C ATOM 3 C ALA A 1 -15.850 2.973 14.756 1.00 0.00 C ATOM 4 O ALA A 1 -14.774 3.403 14.346 1.00 0.00 O ATOM 5 CB ALA A 1 -17.577 4.411 13.676 1.00 0.00 C ATOM 0 H1 ALA A 1 -17.402 5.693 15.997 1.00 0.00 H new ATOM 0 H2 ALA A 1 -16.245 4.708 16.755 1.00 0.00 H new ATOM 0 H3 ALA A 1 -15.833 5.581 15.358 1.00 0.00 H new ATOM 0 HA ALA A 1 -17.799 3.372 15.531 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -17.885 3.559 13.070 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -18.438 5.053 13.862 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -16.811 4.976 13.145 1.00 0.00 H new ATOM 11 N ALA A 2 -16.062 1.692 15.014 1.00 0.00 N ATOM 12 CA ALA A 2 -15.022 0.699 14.818 1.00 0.00 C ATOM 13 C ALA A 2 -14.970 0.265 13.354 1.00 0.00 C ATOM 14 O ALA A 2 -15.935 -0.296 12.835 1.00 0.00 O ATOM 15 CB ALA A 2 -15.264 -0.499 15.722 1.00 0.00 C ATOM 0 H ALA A 2 -16.945 1.317 15.360 1.00 0.00 H new ATOM 0 HA ALA A 2 -14.061 1.142 15.079 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -14.477 -1.237 15.566 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -15.258 -0.176 16.763 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -16.231 -0.944 15.486 1.00 0.00 H new ATOM 21 N PRO A 3 -13.856 0.543 12.658 1.00 0.00 N ATOM 22 CA PRO A 3 -13.687 0.168 11.254 1.00 0.00 C ATOM 23 C PRO A 3 -13.461 -1.331 11.082 1.00 0.00 C ATOM 24 O PRO A 3 -13.165 -2.042 12.046 1.00 0.00 O ATOM 25 CB PRO A 3 -12.439 0.942 10.806 1.00 0.00 C ATOM 26 CG PRO A 3 -12.092 1.858 11.937 1.00 0.00 C ATOM 27 CD PRO A 3 -12.679 1.247 13.176 1.00 0.00 C ATOM 0 HA PRO A 3 -14.577 0.402 10.670 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -11.616 0.262 10.588 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -12.636 1.506 9.894 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -11.011 1.965 12.032 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -12.497 2.855 11.767 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -11.981 0.566 13.662 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -12.951 2.004 13.912 1.00 0.00 H new ATOM 35 N THR A 4 -13.599 -1.803 9.851 1.00 0.00 N ATOM 36 CA THR A 4 -13.403 -3.208 9.543 1.00 0.00 C ATOM 37 C THR A 4 -12.419 -3.367 8.388 1.00 0.00 C ATOM 38 O THR A 4 -12.799 -3.320 7.217 1.00 0.00 O ATOM 39 CB THR A 4 -14.739 -3.887 9.191 1.00 0.00 C ATOM 40 OG1 THR A 4 -15.739 -2.892 8.918 1.00 0.00 O ATOM 41 CG2 THR A 4 -15.209 -4.783 10.330 1.00 0.00 C ATOM 0 H THR A 4 -13.848 -1.227 9.046 1.00 0.00 H new ATOM 0 HA THR A 4 -12.993 -3.692 10.429 1.00 0.00 H new ATOM 0 HB THR A 4 -14.585 -4.502 8.304 1.00 0.00 H new ATOM 0 HG1 THR A 4 -15.387 -2.242 8.275 1.00 0.00 H new ATOM 0 HG21 THR A 4 -16.155 -5.252 10.058 1.00 0.00 H new ATOM 0 HG22 THR A 4 -14.462 -5.555 10.518 1.00 0.00 H new ATOM 0 HG23 THR A 4 -15.347 -4.185 11.231 1.00 0.00 H new ATOM 49 N ALA A 5 -11.150 -3.518 8.729 1.00 0.00 N ATOM 50 CA ALA A 5 -10.104 -3.676 7.736 1.00 0.00 C ATOM 51 C ALA A 5 -9.803 -5.146 7.497 1.00 0.00 C ATOM 52 O ALA A 5 -9.258 -5.830 8.362 1.00 0.00 O ATOM 53 CB ALA A 5 -8.849 -2.940 8.171 1.00 0.00 C ATOM 0 H ALA A 5 -10.819 -3.534 9.694 1.00 0.00 H new ATOM 0 HA ALA A 5 -10.454 -3.245 6.798 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -8.073 -3.067 7.417 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -9.071 -1.879 8.288 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -8.501 -3.344 9.121 1.00 0.00 H new ATOM 59 N THR A 6 -10.179 -5.627 6.329 1.00 0.00 N ATOM 60 CA THR A 6 -9.952 -7.013 5.962 1.00 0.00 C ATOM 61 C THR A 6 -9.018 -7.102 4.760 1.00 0.00 C ATOM 62 O THR A 6 -9.421 -6.859 3.626 1.00 0.00 O ATOM 63 CB THR A 6 -11.280 -7.720 5.633 1.00 0.00 C ATOM 64 OG1 THR A 6 -12.270 -6.748 5.271 1.00 0.00 O ATOM 65 CG2 THR A 6 -11.781 -8.525 6.819 1.00 0.00 C ATOM 0 H THR A 6 -10.647 -5.074 5.611 1.00 0.00 H new ATOM 0 HA THR A 6 -9.490 -7.511 6.814 1.00 0.00 H new ATOM 0 HB THR A 6 -11.103 -8.401 4.800 1.00 0.00 H new ATOM 0 HG1 THR A 6 -11.926 -6.184 4.547 1.00 0.00 H new ATOM 0 HG21 THR A 6 -12.720 -9.013 6.557 1.00 0.00 H new ATOM 0 HG22 THR A 6 -11.041 -9.280 7.085 1.00 0.00 H new ATOM 0 HG23 THR A 6 -11.942 -7.860 7.668 1.00 0.00 H new ATOM 73 N VAL A 7 -7.761 -7.432 5.016 1.00 0.00 N ATOM 74 CA VAL A 7 -6.775 -7.544 3.950 1.00 0.00 C ATOM 75 C VAL A 7 -6.194 -8.951 3.882 1.00 0.00 C ATOM 76 O VAL A 7 -6.184 -9.681 4.877 1.00 0.00 O ATOM 77 CB VAL A 7 -5.621 -6.531 4.131 1.00 0.00 C ATOM 78 CG1 VAL A 7 -6.125 -5.106 3.955 1.00 0.00 C ATOM 79 CG2 VAL A 7 -4.954 -6.700 5.489 1.00 0.00 C ATOM 0 H VAL A 7 -7.400 -7.627 5.950 1.00 0.00 H new ATOM 0 HA VAL A 7 -7.297 -7.323 3.019 1.00 0.00 H new ATOM 0 HB VAL A 7 -4.875 -6.730 3.362 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -5.298 -4.409 4.086 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -6.543 -4.989 2.955 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -6.896 -4.898 4.697 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -4.146 -5.975 5.590 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -5.688 -6.537 6.278 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -4.549 -7.709 5.573 1.00 0.00 H new ATOM 89 N THR A 8 -5.733 -9.329 2.703 1.00 0.00 N ATOM 90 CA THR A 8 -5.129 -10.632 2.490 1.00 0.00 C ATOM 91 C THR A 8 -3.630 -10.478 2.235 1.00 0.00 C ATOM 92 O THR A 8 -3.210 -10.215 1.108 1.00 0.00 O ATOM 93 CB THR A 8 -5.783 -11.358 1.300 1.00 0.00 C ATOM 94 OG1 THR A 8 -7.209 -11.206 1.365 1.00 0.00 O ATOM 95 CG2 THR A 8 -5.418 -12.839 1.297 1.00 0.00 C ATOM 0 H THR A 8 -5.767 -8.743 1.869 1.00 0.00 H new ATOM 0 HA THR A 8 -5.288 -11.229 3.388 1.00 0.00 H new ATOM 0 HB THR A 8 -5.411 -10.913 0.377 1.00 0.00 H new ATOM 0 HG1 THR A 8 -7.622 -11.668 0.606 1.00 0.00 H new ATOM 0 HG21 THR A 8 -5.892 -13.329 0.447 1.00 0.00 H new ATOM 0 HG22 THR A 8 -4.336 -12.947 1.221 1.00 0.00 H new ATOM 0 HG23 THR A 8 -5.764 -13.301 2.222 1.00 0.00 H new ATOM 103 N PRO A 9 -2.808 -10.603 3.293 1.00 0.00 N ATOM 104 CA PRO A 9 -1.353 -10.466 3.183 1.00 0.00 C ATOM 105 C PRO A 9 -0.712 -11.596 2.381 1.00 0.00 C ATOM 106 O PRO A 9 -1.094 -12.764 2.506 1.00 0.00 O ATOM 107 CB PRO A 9 -0.872 -10.500 4.639 1.00 0.00 C ATOM 108 CG PRO A 9 -1.950 -11.207 5.383 1.00 0.00 C ATOM 109 CD PRO A 9 -3.234 -10.882 4.676 1.00 0.00 C ATOM 0 HA PRO A 9 -1.077 -9.555 2.652 1.00 0.00 H new ATOM 0 HB2 PRO A 9 0.079 -11.025 4.729 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -0.719 -9.493 5.028 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -1.774 -12.283 5.394 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -1.985 -10.879 6.422 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -3.937 -11.714 4.719 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -3.731 -10.021 5.124 1.00 0.00 H new ATOM 117 N SER A 10 0.275 -11.241 1.569 1.00 0.00 N ATOM 118 CA SER A 10 0.983 -12.199 0.738 1.00 0.00 C ATOM 119 C SER A 10 2.101 -12.887 1.527 1.00 0.00 C ATOM 120 O SER A 10 3.213 -13.063 1.031 1.00 0.00 O ATOM 121 CB SER A 10 1.560 -11.474 -0.476 1.00 0.00 C ATOM 122 OG SER A 10 1.788 -10.105 -0.177 1.00 0.00 O ATOM 0 H SER A 10 0.605 -10.281 1.470 1.00 0.00 H new ATOM 0 HA SER A 10 0.285 -12.969 0.409 1.00 0.00 H new ATOM 0 HB2 SER A 10 2.494 -11.947 -0.779 1.00 0.00 H new ATOM 0 HB3 SER A 10 0.873 -11.559 -1.318 1.00 0.00 H new ATOM 0 HG SER A 10 2.159 -9.656 -0.965 1.00 0.00 H new ATOM 128 N SER A 11 1.787 -13.280 2.754 1.00 0.00 N ATOM 129 CA SER A 11 2.745 -13.940 3.627 1.00 0.00 C ATOM 130 C SER A 11 3.047 -15.356 3.140 1.00 0.00 C ATOM 131 O SER A 11 2.162 -16.209 3.087 1.00 0.00 O ATOM 132 CB SER A 11 2.197 -13.982 5.055 1.00 0.00 C ATOM 133 OG SER A 11 1.601 -12.743 5.406 1.00 0.00 O ATOM 0 H SER A 11 0.865 -13.150 3.170 1.00 0.00 H new ATOM 0 HA SER A 11 3.675 -13.372 3.611 1.00 0.00 H new ATOM 0 HB2 SER A 11 1.462 -14.782 5.143 1.00 0.00 H new ATOM 0 HB3 SER A 11 3.003 -14.212 5.751 1.00 0.00 H new ATOM 0 HG SER A 11 1.256 -12.794 6.322 1.00 0.00 H new ATOM 139 N GLY A 12 4.299 -15.588 2.767 1.00 0.00 N ATOM 140 CA GLY A 12 4.708 -16.895 2.293 1.00 0.00 C ATOM 141 C GLY A 12 4.518 -17.054 0.802 1.00 0.00 C ATOM 142 O GLY A 12 4.560 -18.165 0.271 1.00 0.00 O ATOM 0 H GLY A 12 5.042 -14.890 2.785 1.00 0.00 H new ATOM 0 HA2 GLY A 12 5.757 -17.057 2.542 1.00 0.00 H new ATOM 0 HA3 GLY A 12 4.135 -17.663 2.813 1.00 0.00 H new ATOM 146 N LEU A 13 4.319 -15.942 0.115 1.00 0.00 N ATOM 147 CA LEU A 13 4.119 -15.966 -1.321 1.00 0.00 C ATOM 148 C LEU A 13 5.218 -15.186 -2.027 1.00 0.00 C ATOM 149 O LEU A 13 5.731 -14.205 -1.498 1.00 0.00 O ATOM 150 CB LEU A 13 2.742 -15.405 -1.670 1.00 0.00 C ATOM 151 CG LEU A 13 1.571 -16.301 -1.261 1.00 0.00 C ATOM 152 CD1 LEU A 13 0.506 -15.495 -0.543 1.00 0.00 C ATOM 153 CD2 LEU A 13 0.983 -16.998 -2.475 1.00 0.00 C ATOM 0 H LEU A 13 4.292 -15.011 0.531 1.00 0.00 H new ATOM 0 HA LEU A 13 4.167 -16.999 -1.664 1.00 0.00 H new ATOM 0 HB2 LEU A 13 2.626 -14.434 -1.188 1.00 0.00 H new ATOM 0 HB3 LEU A 13 2.695 -15.235 -2.746 1.00 0.00 H new ATOM 0 HG LEU A 13 1.946 -17.061 -0.576 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -0.318 -16.151 -0.261 1.00 0.00 H new ATOM 0 HD12 LEU A 13 0.933 -15.043 0.352 1.00 0.00 H new ATOM 0 HD13 LEU A 13 0.136 -14.711 -1.204 1.00 0.00 H new ATOM 0 HD21 LEU A 13 0.152 -17.631 -2.164 1.00 0.00 H new ATOM 0 HD22 LEU A 13 0.626 -16.252 -3.185 1.00 0.00 H new ATOM 0 HD23 LEU A 13 1.749 -17.612 -2.948 1.00 0.00 H new ATOM 165 N SER A 14 5.583 -15.642 -3.214 1.00 0.00 N ATOM 166 CA SER A 14 6.631 -15.006 -3.998 1.00 0.00 C ATOM 167 C SER A 14 6.139 -13.708 -4.638 1.00 0.00 C ATOM 168 O SER A 14 4.973 -13.336 -4.497 1.00 0.00 O ATOM 169 CB SER A 14 7.103 -15.968 -5.086 1.00 0.00 C ATOM 170 OG SER A 14 6.968 -17.318 -4.666 1.00 0.00 O ATOM 0 H SER A 14 5.165 -16.458 -3.660 1.00 0.00 H new ATOM 0 HA SER A 14 7.457 -14.761 -3.330 1.00 0.00 H new ATOM 0 HB2 SER A 14 6.524 -15.807 -5.995 1.00 0.00 H new ATOM 0 HB3 SER A 14 8.145 -15.762 -5.331 1.00 0.00 H new ATOM 0 HG SER A 14 7.850 -17.681 -4.442 1.00 0.00 H new ATOM 176 N ASP A 15 7.028 -13.020 -5.343 1.00 0.00 N ATOM 177 CA ASP A 15 6.666 -11.778 -6.012 1.00 0.00 C ATOM 178 C ASP A 15 5.719 -12.079 -7.163 1.00 0.00 C ATOM 179 O ASP A 15 5.747 -13.172 -7.733 1.00 0.00 O ATOM 180 CB ASP A 15 7.909 -11.042 -6.515 1.00 0.00 C ATOM 181 CG ASP A 15 8.605 -11.768 -7.644 1.00 0.00 C ATOM 182 OD1 ASP A 15 9.295 -12.773 -7.371 1.00 0.00 O ATOM 183 OD2 ASP A 15 8.474 -11.329 -8.806 1.00 0.00 O ATOM 0 H ASP A 15 8.001 -13.300 -5.466 1.00 0.00 H new ATOM 0 HA ASP A 15 6.165 -11.127 -5.296 1.00 0.00 H new ATOM 0 HB2 ASP A 15 7.624 -10.045 -6.852 1.00 0.00 H new ATOM 0 HB3 ASP A 15 8.607 -10.911 -5.688 1.00 0.00 H new ATOM 188 N GLY A 16 4.874 -11.123 -7.492 1.00 0.00 N ATOM 189 CA GLY A 16 3.906 -11.324 -8.548 1.00 0.00 C ATOM 190 C GLY A 16 2.558 -11.685 -7.975 1.00 0.00 C ATOM 191 O GLY A 16 1.547 -11.683 -8.675 1.00 0.00 O ATOM 0 H GLY A 16 4.838 -10.206 -7.047 1.00 0.00 H new ATOM 0 HA2 GLY A 16 3.821 -10.418 -9.147 1.00 0.00 H new ATOM 0 HA3 GLY A 16 4.247 -12.116 -9.215 1.00 0.00 H new ATOM 195 N THR A 17 2.552 -11.989 -6.685 1.00 0.00 N ATOM 196 CA THR A 17 1.335 -12.345 -5.987 1.00 0.00 C ATOM 197 C THR A 17 0.467 -11.112 -5.774 1.00 0.00 C ATOM 198 O THR A 17 0.964 -10.035 -5.432 1.00 0.00 O ATOM 199 CB THR A 17 1.650 -13.005 -4.632 1.00 0.00 C ATOM 200 OG1 THR A 17 2.516 -14.131 -4.834 1.00 0.00 O ATOM 201 CG2 THR A 17 0.376 -13.460 -3.936 1.00 0.00 C ATOM 0 H THR A 17 3.387 -11.995 -6.100 1.00 0.00 H new ATOM 0 HA THR A 17 0.791 -13.062 -6.602 1.00 0.00 H new ATOM 0 HB THR A 17 2.143 -12.268 -3.998 1.00 0.00 H new ATOM 0 HG1 THR A 17 3.449 -13.849 -4.729 1.00 0.00 H new ATOM 0 HG21 THR A 17 0.628 -13.922 -2.982 1.00 0.00 H new ATOM 0 HG22 THR A 17 -0.271 -12.600 -3.763 1.00 0.00 H new ATOM 0 HG23 THR A 17 -0.143 -14.184 -4.564 1.00 0.00 H new ATOM 209 N VAL A 18 -0.823 -11.270 -5.995 1.00 0.00 N ATOM 210 CA VAL A 18 -1.760 -10.174 -5.846 1.00 0.00 C ATOM 211 C VAL A 18 -2.295 -10.089 -4.418 1.00 0.00 C ATOM 212 O VAL A 18 -2.838 -11.059 -3.884 1.00 0.00 O ATOM 213 CB VAL A 18 -2.936 -10.323 -6.830 1.00 0.00 C ATOM 214 CG1 VAL A 18 -3.850 -9.117 -6.759 1.00 0.00 C ATOM 215 CG2 VAL A 18 -2.426 -10.526 -8.251 1.00 0.00 C ATOM 0 H VAL A 18 -1.248 -12.152 -6.280 1.00 0.00 H new ATOM 0 HA VAL A 18 -1.220 -9.254 -6.069 1.00 0.00 H new ATOM 0 HB VAL A 18 -3.510 -11.204 -6.543 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -4.674 -9.243 -7.462 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -4.247 -9.020 -5.748 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -3.288 -8.219 -7.016 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -3.272 -10.629 -8.930 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -1.825 -9.667 -8.548 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -1.815 -11.428 -8.293 1.00 0.00 H new ATOM 225 N VAL A 19 -2.123 -8.926 -3.808 1.00 0.00 N ATOM 226 CA VAL A 19 -2.588 -8.672 -2.453 1.00 0.00 C ATOM 227 C VAL A 19 -4.007 -8.116 -2.493 1.00 0.00 C ATOM 228 O VAL A 19 -4.281 -7.154 -3.210 1.00 0.00 O ATOM 229 CB VAL A 19 -1.670 -7.660 -1.730 1.00 0.00 C ATOM 230 CG1 VAL A 19 -2.109 -7.462 -0.287 1.00 0.00 C ATOM 231 CG2 VAL A 19 -0.218 -8.109 -1.793 1.00 0.00 C ATOM 0 H VAL A 19 -1.655 -8.129 -4.240 1.00 0.00 H new ATOM 0 HA VAL A 19 -2.569 -9.615 -1.906 1.00 0.00 H new ATOM 0 HB VAL A 19 -1.754 -6.702 -2.243 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -1.447 -6.746 0.200 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -3.131 -7.084 -0.266 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -2.064 -8.414 0.241 1.00 0.00 H new ATOM 0 HG21 VAL A 19 0.410 -7.382 -1.278 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -0.117 -9.082 -1.312 1.00 0.00 H new ATOM 0 HG23 VAL A 19 0.094 -8.185 -2.834 1.00 0.00 H new ATOM 241 N LYS A 20 -4.905 -8.723 -1.734 1.00 0.00 N ATOM 242 CA LYS A 20 -6.293 -8.285 -1.704 1.00 0.00 C ATOM 243 C LYS A 20 -6.541 -7.343 -0.530 1.00 0.00 C ATOM 244 O LYS A 20 -6.187 -7.643 0.609 1.00 0.00 O ATOM 245 CB LYS A 20 -7.223 -9.497 -1.622 1.00 0.00 C ATOM 246 CG LYS A 20 -8.689 -9.162 -1.849 1.00 0.00 C ATOM 247 CD LYS A 20 -9.561 -10.407 -1.792 1.00 0.00 C ATOM 248 CE LYS A 20 -9.265 -11.346 -2.949 1.00 0.00 C ATOM 249 NZ LYS A 20 -10.012 -12.624 -2.829 1.00 0.00 N ATOM 0 H LYS A 20 -4.699 -9.519 -1.131 1.00 0.00 H new ATOM 0 HA LYS A 20 -6.503 -7.740 -2.624 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -6.910 -10.234 -2.361 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -7.114 -9.962 -0.642 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -9.021 -8.449 -1.095 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -8.807 -8.678 -2.819 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -9.394 -10.927 -0.848 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -10.612 -10.118 -1.816 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -9.527 -10.859 -3.888 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -8.195 -11.552 -2.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -9.783 -13.237 -3.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -9.743 -13.101 -1.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -11.034 -12.429 -2.821 1.00 0.00 H new ATOM 263 N VAL A 21 -7.138 -6.195 -0.818 1.00 0.00 N ATOM 264 CA VAL A 21 -7.439 -5.206 0.204 1.00 0.00 C ATOM 265 C VAL A 21 -8.929 -4.880 0.205 1.00 0.00 C ATOM 266 O VAL A 21 -9.480 -4.463 -0.814 1.00 0.00 O ATOM 267 CB VAL A 21 -6.628 -3.908 -0.020 1.00 0.00 C ATOM 268 CG1 VAL A 21 -7.036 -2.827 0.970 1.00 0.00 C ATOM 269 CG2 VAL A 21 -5.134 -4.187 0.082 1.00 0.00 C ATOM 0 H VAL A 21 -7.425 -5.926 -1.759 1.00 0.00 H new ATOM 0 HA VAL A 21 -7.159 -5.630 1.168 1.00 0.00 H new ATOM 0 HB VAL A 21 -6.847 -3.545 -1.024 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -6.449 -1.927 0.788 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -8.095 -2.601 0.846 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -6.857 -3.178 1.986 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -4.579 -3.262 -0.078 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -4.904 -4.581 1.072 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -4.848 -4.918 -0.675 1.00 0.00 H new ATOM 279 N ALA A 22 -9.584 -5.095 1.337 1.00 0.00 N ATOM 280 CA ALA A 22 -11.004 -4.806 1.467 1.00 0.00 C ATOM 281 C ALA A 22 -11.278 -4.060 2.768 1.00 0.00 C ATOM 282 O ALA A 22 -11.307 -4.655 3.845 1.00 0.00 O ATOM 283 CB ALA A 22 -11.817 -6.090 1.405 1.00 0.00 C ATOM 0 H ALA A 22 -9.152 -5.470 2.181 1.00 0.00 H new ATOM 0 HA ALA A 22 -11.305 -4.169 0.635 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -12.877 -5.855 1.504 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -11.643 -6.585 0.450 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -11.515 -6.751 2.217 1.00 0.00 H new ATOM 289 N GLY A 23 -11.467 -2.756 2.668 1.00 0.00 N ATOM 290 CA GLY A 23 -11.728 -1.951 3.845 1.00 0.00 C ATOM 291 C GLY A 23 -13.177 -1.524 3.937 1.00 0.00 C ATOM 292 O GLY A 23 -13.701 -0.889 3.022 1.00 0.00 O ATOM 0 H GLY A 23 -11.445 -2.236 1.791 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -11.461 -2.518 4.737 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -11.091 -1.067 3.827 1.00 0.00 H new ATOM 296 N ALA A 24 -13.830 -1.886 5.029 1.00 0.00 N ATOM 297 CA ALA A 24 -15.222 -1.525 5.241 1.00 0.00 C ATOM 298 C ALA A 24 -15.341 -0.571 6.420 1.00 0.00 C ATOM 299 O ALA A 24 -14.693 -0.764 7.452 1.00 0.00 O ATOM 300 CB ALA A 24 -16.059 -2.771 5.472 1.00 0.00 C ATOM 0 H ALA A 24 -13.416 -2.432 5.785 1.00 0.00 H new ATOM 0 HA ALA A 24 -15.596 -1.021 4.350 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -17.099 -2.486 5.629 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -15.989 -3.423 4.601 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -15.690 -3.299 6.351 1.00 0.00 H new ATOM 306 N GLY A 25 -16.169 0.452 6.270 1.00 0.00 N ATOM 307 CA GLY A 25 -16.339 1.426 7.329 1.00 0.00 C ATOM 308 C GLY A 25 -15.349 2.558 7.193 1.00 0.00 C ATOM 309 O GLY A 25 -14.701 2.957 8.161 1.00 0.00 O ATOM 0 H GLY A 25 -16.727 0.625 5.434 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -17.354 1.822 7.303 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -16.211 0.941 8.297 1.00 0.00 H new ATOM 313 N LEU A 26 -15.217 3.059 5.977 1.00 0.00 N ATOM 314 CA LEU A 26 -14.298 4.145 5.689 1.00 0.00 C ATOM 315 C LEU A 26 -15.069 5.417 5.361 1.00 0.00 C ATOM 316 O LEU A 26 -16.297 5.458 5.495 1.00 0.00 O ATOM 317 CB LEU A 26 -13.381 3.760 4.525 1.00 0.00 C ATOM 318 CG LEU A 26 -12.508 2.521 4.755 1.00 0.00 C ATOM 319 CD1 LEU A 26 -11.664 2.222 3.523 1.00 0.00 C ATOM 320 CD2 LEU A 26 -11.621 2.718 5.980 1.00 0.00 C ATOM 0 H LEU A 26 -15.740 2.727 5.167 1.00 0.00 H new ATOM 0 HA LEU A 26 -13.685 4.332 6.571 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -13.996 3.591 3.641 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -12.730 4.606 4.303 1.00 0.00 H new ATOM 0 HG LEU A 26 -13.161 1.667 4.935 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -11.052 1.339 3.707 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -12.317 2.039 2.670 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -11.018 3.073 3.309 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -11.007 1.830 6.131 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -10.976 3.584 5.827 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -12.245 2.881 6.859 1.00 0.00 H new ATOM 332 N GLN A 27 -14.358 6.450 4.930 1.00 0.00 N ATOM 333 CA GLN A 27 -14.991 7.714 4.587 1.00 0.00 C ATOM 334 C GLN A 27 -15.535 7.662 3.165 1.00 0.00 C ATOM 335 O GLN A 27 -14.774 7.663 2.194 1.00 0.00 O ATOM 336 CB GLN A 27 -14.001 8.871 4.738 1.00 0.00 C ATOM 337 CG GLN A 27 -14.627 10.131 5.305 1.00 0.00 C ATOM 338 CD GLN A 27 -15.130 9.945 6.722 1.00 0.00 C ATOM 339 OE1 GLN A 27 -14.564 9.178 7.501 1.00 0.00 O ATOM 340 NE2 GLN A 27 -16.199 10.642 7.067 1.00 0.00 N ATOM 0 H GLN A 27 -13.345 6.437 4.810 1.00 0.00 H new ATOM 0 HA GLN A 27 -15.821 7.882 5.273 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -13.183 8.557 5.387 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -13.567 9.097 3.764 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -13.893 10.937 5.287 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -15.455 10.440 4.667 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -16.640 11.267 6.392 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -16.583 10.554 8.008 1.00 0.00 H new ATOM 349 N ALA A 28 -16.856 7.607 3.052 1.00 0.00 N ATOM 350 CA ALA A 28 -17.516 7.539 1.756 1.00 0.00 C ATOM 351 C ALA A 28 -17.211 8.771 0.914 1.00 0.00 C ATOM 352 O ALA A 28 -17.327 9.903 1.387 1.00 0.00 O ATOM 353 CB ALA A 28 -19.017 7.378 1.943 1.00 0.00 C ATOM 0 H ALA A 28 -17.494 7.608 3.848 1.00 0.00 H new ATOM 0 HA ALA A 28 -17.130 6.670 1.223 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -19.502 7.328 0.968 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -19.218 6.460 2.496 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -19.408 8.230 2.499 1.00 0.00 H new ATOM 359 N GLY A 29 -16.805 8.542 -0.329 1.00 0.00 N ATOM 360 CA GLY A 29 -16.495 9.638 -1.225 1.00 0.00 C ATOM 361 C GLY A 29 -15.027 10.017 -1.222 1.00 0.00 C ATOM 362 O GLY A 29 -14.596 10.850 -2.019 1.00 0.00 O ATOM 0 H GLY A 29 -16.685 7.613 -0.733 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -16.791 9.365 -2.238 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -17.088 10.508 -0.943 1.00 0.00 H new ATOM 366 N THR A 30 -14.253 9.420 -0.331 1.00 0.00 N ATOM 367 CA THR A 30 -12.833 9.722 -0.255 1.00 0.00 C ATOM 368 C THR A 30 -12.011 8.653 -0.978 1.00 0.00 C ATOM 369 O THR A 30 -12.391 7.481 -1.008 1.00 0.00 O ATOM 370 CB THR A 30 -12.378 9.834 1.212 1.00 0.00 C ATOM 371 OG1 THR A 30 -13.358 10.571 1.960 1.00 0.00 O ATOM 372 CG2 THR A 30 -11.028 10.533 1.320 1.00 0.00 C ATOM 0 H THR A 30 -14.580 8.729 0.345 1.00 0.00 H new ATOM 0 HA THR A 30 -12.667 10.681 -0.747 1.00 0.00 H new ATOM 0 HB THR A 30 -12.275 8.827 1.616 1.00 0.00 H new ATOM 0 HG1 THR A 30 -12.918 11.048 2.694 1.00 0.00 H new ATOM 0 HG21 THR A 30 -10.734 10.597 2.368 1.00 0.00 H new ATOM 0 HG22 THR A 30 -10.279 9.966 0.767 1.00 0.00 H new ATOM 0 HG23 THR A 30 -11.104 11.537 0.903 1.00 0.00 H new ATOM 380 N ALA A 31 -10.903 9.072 -1.578 1.00 0.00 N ATOM 381 CA ALA A 31 -10.025 8.156 -2.293 1.00 0.00 C ATOM 382 C ALA A 31 -8.945 7.620 -1.362 1.00 0.00 C ATOM 383 O ALA A 31 -8.423 8.352 -0.520 1.00 0.00 O ATOM 384 CB ALA A 31 -9.392 8.851 -3.489 1.00 0.00 C ATOM 0 H ALA A 31 -10.591 10.043 -1.583 1.00 0.00 H new ATOM 0 HA ALA A 31 -10.621 7.318 -2.654 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -8.739 8.152 -4.012 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -10.174 9.194 -4.167 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -8.809 9.706 -3.146 1.00 0.00 H new ATOM 390 N TYR A 32 -8.621 6.346 -1.510 1.00 0.00 N ATOM 391 CA TYR A 32 -7.611 5.718 -0.676 1.00 0.00 C ATOM 392 C TYR A 32 -6.466 5.182 -1.524 1.00 0.00 C ATOM 393 O TYR A 32 -6.670 4.351 -2.409 1.00 0.00 O ATOM 394 CB TYR A 32 -8.232 4.589 0.157 1.00 0.00 C ATOM 395 CG TYR A 32 -9.112 5.079 1.289 1.00 0.00 C ATOM 396 CD1 TYR A 32 -10.388 5.577 1.043 1.00 0.00 C ATOM 397 CD2 TYR A 32 -8.665 5.052 2.605 1.00 0.00 C ATOM 398 CE1 TYR A 32 -11.187 6.032 2.071 1.00 0.00 C ATOM 399 CE2 TYR A 32 -9.461 5.508 3.638 1.00 0.00 C ATOM 400 CZ TYR A 32 -10.718 5.998 3.364 1.00 0.00 C ATOM 401 OH TYR A 32 -11.512 6.458 4.388 1.00 0.00 O ATOM 0 H TYR A 32 -9.044 5.726 -2.201 1.00 0.00 H new ATOM 0 HA TYR A 32 -7.211 6.473 0.001 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -8.822 3.948 -0.498 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -7.433 3.973 0.570 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -10.759 5.608 0.029 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -7.679 4.668 2.823 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -12.176 6.413 1.862 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -9.099 5.480 4.655 1.00 0.00 H new ATOM 0 HH TYR A 32 -11.035 6.364 5.239 1.00 0.00 H new ATOM 411 N ASP A 33 -5.269 5.674 -1.254 1.00 0.00 N ATOM 412 CA ASP A 33 -4.076 5.251 -1.972 1.00 0.00 C ATOM 413 C ASP A 33 -3.540 3.980 -1.335 1.00 0.00 C ATOM 414 O ASP A 33 -3.169 3.979 -0.159 1.00 0.00 O ATOM 415 CB ASP A 33 -3.018 6.353 -1.920 1.00 0.00 C ATOM 416 CG ASP A 33 -1.979 6.240 -3.022 1.00 0.00 C ATOM 417 OD1 ASP A 33 -1.325 5.186 -3.136 1.00 0.00 O ATOM 418 OD2 ASP A 33 -1.797 7.228 -3.769 1.00 0.00 O ATOM 0 H ASP A 33 -5.096 6.375 -0.534 1.00 0.00 H new ATOM 0 HA ASP A 33 -4.324 5.058 -3.016 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -3.510 7.323 -1.992 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -2.517 6.321 -0.953 1.00 0.00 H new ATOM 423 N VAL A 34 -3.536 2.894 -2.091 1.00 0.00 N ATOM 424 CA VAL A 34 -3.059 1.623 -1.573 1.00 0.00 C ATOM 425 C VAL A 34 -2.002 1.019 -2.485 1.00 0.00 C ATOM 426 O VAL A 34 -2.252 0.778 -3.671 1.00 0.00 O ATOM 427 CB VAL A 34 -4.205 0.599 -1.404 1.00 0.00 C ATOM 428 CG1 VAL A 34 -3.747 -0.577 -0.556 1.00 0.00 C ATOM 429 CG2 VAL A 34 -5.437 1.250 -0.794 1.00 0.00 C ATOM 0 H VAL A 34 -3.856 2.867 -3.059 1.00 0.00 H new ATOM 0 HA VAL A 34 -2.627 1.836 -0.595 1.00 0.00 H new ATOM 0 HB VAL A 34 -4.476 0.230 -2.393 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -4.566 -1.288 -0.447 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -2.903 -1.068 -1.040 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -3.444 -0.220 0.428 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -6.226 0.506 -0.687 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -5.186 1.656 0.186 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -5.782 2.055 -1.443 1.00 0.00 H new ATOM 439 N GLY A 35 -0.819 0.795 -1.932 1.00 0.00 N ATOM 440 CA GLY A 35 0.254 0.195 -2.685 1.00 0.00 C ATOM 441 C GLY A 35 1.183 -0.585 -1.780 1.00 0.00 C ATOM 442 O GLY A 35 1.103 -0.462 -0.558 1.00 0.00 O ATOM 0 H GLY A 35 -0.585 1.022 -0.965 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -0.158 -0.467 -3.447 1.00 0.00 H new ATOM 0 HA3 GLY A 35 0.815 0.971 -3.206 1.00 0.00 H new ATOM 446 N GLN A 36 2.040 -1.411 -2.354 1.00 0.00 N ATOM 447 CA GLN A 36 2.986 -2.169 -1.554 1.00 0.00 C ATOM 448 C GLN A 36 4.178 -1.276 -1.238 1.00 0.00 C ATOM 449 O GLN A 36 4.796 -0.705 -2.140 1.00 0.00 O ATOM 450 CB GLN A 36 3.412 -3.456 -2.271 1.00 0.00 C ATOM 451 CG GLN A 36 3.835 -3.254 -3.716 1.00 0.00 C ATOM 452 CD GLN A 36 5.312 -3.497 -3.924 1.00 0.00 C ATOM 453 OE1 GLN A 36 5.732 -4.606 -4.234 1.00 0.00 O ATOM 454 NE2 GLN A 36 6.111 -2.467 -3.736 1.00 0.00 N ATOM 0 H GLN A 36 2.101 -1.573 -3.359 1.00 0.00 H new ATOM 0 HA GLN A 36 2.515 -2.479 -0.621 1.00 0.00 H new ATOM 0 HB2 GLN A 36 4.238 -3.908 -1.722 1.00 0.00 H new ATOM 0 HB3 GLN A 36 2.585 -4.165 -2.242 1.00 0.00 H new ATOM 0 HG2 GLN A 36 3.265 -3.928 -4.356 1.00 0.00 H new ATOM 0 HG3 GLN A 36 3.590 -2.238 -4.025 1.00 0.00 H new ATOM 0 HE21 GLN A 36 5.722 -1.560 -3.479 1.00 0.00 H new ATOM 0 HE22 GLN A 36 7.119 -2.576 -3.848 1.00 0.00 H new ATOM 463 N CYS A 37 4.479 -1.124 0.038 1.00 0.00 N ATOM 464 CA CYS A 37 5.566 -0.260 0.449 1.00 0.00 C ATOM 465 C CYS A 37 6.535 -0.972 1.377 1.00 0.00 C ATOM 466 O CYS A 37 6.249 -2.058 1.879 1.00 0.00 O ATOM 467 CB CYS A 37 4.999 0.979 1.142 1.00 0.00 C ATOM 468 SG CYS A 37 3.317 1.428 0.602 1.00 0.00 S ATOM 0 H CYS A 37 3.988 -1.586 0.803 1.00 0.00 H new ATOM 0 HA CYS A 37 6.119 0.032 -0.444 1.00 0.00 H new ATOM 0 HB2 CYS A 37 4.990 0.808 2.218 1.00 0.00 H new ATOM 0 HB3 CYS A 37 5.665 1.822 0.958 1.00 0.00 H new ATOM 473 N ALA A 38 7.691 -0.358 1.580 1.00 0.00 N ATOM 474 CA ALA A 38 8.716 -0.899 2.455 1.00 0.00 C ATOM 475 C ALA A 38 9.620 0.226 2.938 1.00 0.00 C ATOM 476 O ALA A 38 9.444 1.379 2.538 1.00 0.00 O ATOM 477 CB ALA A 38 9.530 -1.967 1.741 1.00 0.00 C ATOM 0 H ALA A 38 7.943 0.528 1.143 1.00 0.00 H new ATOM 0 HA ALA A 38 8.234 -1.365 3.314 1.00 0.00 H new ATOM 0 HB1 ALA A 38 10.291 -2.357 2.417 1.00 0.00 H new ATOM 0 HB2 ALA A 38 8.872 -2.778 1.429 1.00 0.00 H new ATOM 0 HB3 ALA A 38 10.011 -1.533 0.865 1.00 0.00 H new ATOM 483 N TRP A 39 10.572 -0.101 3.799 1.00 0.00 N ATOM 484 CA TRP A 39 11.497 0.889 4.327 1.00 0.00 C ATOM 485 C TRP A 39 12.449 1.362 3.236 1.00 0.00 C ATOM 486 O TRP A 39 13.112 0.554 2.588 1.00 0.00 O ATOM 487 CB TRP A 39 12.290 0.303 5.494 1.00 0.00 C ATOM 488 CG TRP A 39 11.461 0.042 6.714 1.00 0.00 C ATOM 489 CD1 TRP A 39 10.536 -0.948 6.884 1.00 0.00 C ATOM 490 CD2 TRP A 39 11.493 0.777 7.941 1.00 0.00 C ATOM 491 NE1 TRP A 39 9.983 -0.863 8.136 1.00 0.00 N ATOM 492 CE2 TRP A 39 10.555 0.185 8.806 1.00 0.00 C ATOM 493 CE3 TRP A 39 12.222 1.879 8.392 1.00 0.00 C ATOM 494 CZ2 TRP A 39 10.328 0.657 10.095 1.00 0.00 C ATOM 495 CZ3 TRP A 39 11.997 2.347 9.673 1.00 0.00 C ATOM 496 CH2 TRP A 39 11.057 1.738 10.510 1.00 0.00 C ATOM 0 H TRP A 39 10.724 -1.048 4.147 1.00 0.00 H new ATOM 0 HA TRP A 39 10.922 1.743 4.684 1.00 0.00 H new ATOM 0 HB2 TRP A 39 12.754 -0.630 5.174 1.00 0.00 H new ATOM 0 HB3 TRP A 39 13.097 0.988 5.754 1.00 0.00 H new ATOM 0 HD1 TRP A 39 10.278 -1.689 6.142 1.00 0.00 H new ATOM 0 HE1 TRP A 39 9.262 -1.481 8.508 1.00 0.00 H new ATOM 0 HE3 TRP A 39 12.948 2.357 7.752 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 9.603 0.188 10.744 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 12.557 3.197 10.033 1.00 0.00 H new ATOM 0 HH2 TRP A 39 10.903 2.129 11.505 1.00 0.00 H new ATOM 507 N VAL A 40 12.516 2.667 3.037 1.00 0.00 N ATOM 508 CA VAL A 40 13.380 3.227 2.010 1.00 0.00 C ATOM 509 C VAL A 40 14.532 4.022 2.628 1.00 0.00 C ATOM 510 O VAL A 40 15.584 4.192 2.013 1.00 0.00 O ATOM 511 CB VAL A 40 12.576 4.119 1.031 1.00 0.00 C ATOM 512 CG1 VAL A 40 12.100 5.400 1.704 1.00 0.00 C ATOM 513 CG2 VAL A 40 13.398 4.436 -0.206 1.00 0.00 C ATOM 0 H VAL A 40 11.986 3.357 3.570 1.00 0.00 H new ATOM 0 HA VAL A 40 13.803 2.394 1.449 1.00 0.00 H new ATOM 0 HB VAL A 40 11.692 3.559 0.725 1.00 0.00 H new ATOM 0 HG11 VAL A 40 11.540 6.001 0.988 1.00 0.00 H new ATOM 0 HG12 VAL A 40 11.458 5.150 2.549 1.00 0.00 H new ATOM 0 HG13 VAL A 40 12.961 5.967 2.058 1.00 0.00 H new ATOM 0 HG21 VAL A 40 12.814 5.063 -0.880 1.00 0.00 H new ATOM 0 HG22 VAL A 40 14.306 4.964 0.086 1.00 0.00 H new ATOM 0 HG23 VAL A 40 13.665 3.509 -0.713 1.00 0.00 H new ATOM 523 N ASP A 41 14.337 4.488 3.852 1.00 0.00 N ATOM 524 CA ASP A 41 15.359 5.260 4.539 1.00 0.00 C ATOM 525 C ASP A 41 15.260 5.028 6.039 1.00 0.00 C ATOM 526 O ASP A 41 14.568 4.111 6.489 1.00 0.00 O ATOM 527 CB ASP A 41 15.198 6.749 4.221 1.00 0.00 C ATOM 528 CG ASP A 41 16.508 7.512 4.282 1.00 0.00 C ATOM 529 OD1 ASP A 41 16.948 7.858 5.397 1.00 0.00 O ATOM 530 OD2 ASP A 41 17.100 7.782 3.215 1.00 0.00 O ATOM 0 H ASP A 41 13.482 4.345 4.389 1.00 0.00 H new ATOM 0 HA ASP A 41 16.341 4.935 4.195 1.00 0.00 H new ATOM 0 HB2 ASP A 41 14.766 6.858 3.226 1.00 0.00 H new ATOM 0 HB3 ASP A 41 14.493 7.191 4.925 1.00 0.00 H new ATOM 535 N THR A 42 15.947 5.853 6.807 1.00 0.00 N ATOM 536 CA THR A 42 15.930 5.753 8.251 1.00 0.00 C ATOM 537 C THR A 42 14.629 6.332 8.792 1.00 0.00 C ATOM 538 O THR A 42 14.540 7.522 9.092 1.00 0.00 O ATOM 539 CB THR A 42 17.130 6.498 8.861 1.00 0.00 C ATOM 540 OG1 THR A 42 18.220 6.510 7.925 1.00 0.00 O ATOM 541 CG2 THR A 42 17.580 5.838 10.155 1.00 0.00 C ATOM 0 H THR A 42 16.530 6.608 6.447 1.00 0.00 H new ATOM 0 HA THR A 42 16.000 4.701 8.528 1.00 0.00 H new ATOM 0 HB THR A 42 16.822 7.520 9.082 1.00 0.00 H new ATOM 0 HG1 THR A 42 18.982 6.987 8.316 1.00 0.00 H new ATOM 0 HG21 THR A 42 18.429 6.384 10.566 1.00 0.00 H new ATOM 0 HG22 THR A 42 16.760 5.849 10.873 1.00 0.00 H new ATOM 0 HG23 THR A 42 17.873 4.807 9.955 1.00 0.00 H new ATOM 549 N GLY A 43 13.608 5.490 8.863 1.00 0.00 N ATOM 550 CA GLY A 43 12.317 5.924 9.348 1.00 0.00 C ATOM 551 C GLY A 43 11.364 6.212 8.211 1.00 0.00 C ATOM 552 O GLY A 43 10.152 6.139 8.376 1.00 0.00 O ATOM 0 H GLY A 43 13.653 4.508 8.591 1.00 0.00 H new ATOM 0 HA2 GLY A 43 11.893 5.155 9.993 1.00 0.00 H new ATOM 0 HA3 GLY A 43 12.439 6.820 9.957 1.00 0.00 H new ATOM 556 N VAL A 44 11.918 6.530 7.051 1.00 0.00 N ATOM 557 CA VAL A 44 11.115 6.837 5.876 1.00 0.00 C ATOM 558 C VAL A 44 10.798 5.572 5.085 1.00 0.00 C ATOM 559 O VAL A 44 11.662 4.710 4.892 1.00 0.00 O ATOM 560 CB VAL A 44 11.824 7.843 4.945 1.00 0.00 C ATOM 561 CG1 VAL A 44 10.838 8.466 3.966 1.00 0.00 C ATOM 562 CG2 VAL A 44 12.536 8.922 5.745 1.00 0.00 C ATOM 0 H VAL A 44 12.925 6.582 6.897 1.00 0.00 H new ATOM 0 HA VAL A 44 10.190 7.284 6.239 1.00 0.00 H new ATOM 0 HB VAL A 44 12.573 7.295 4.374 1.00 0.00 H new ATOM 0 HG11 VAL A 44 11.362 9.171 3.321 1.00 0.00 H new ATOM 0 HG12 VAL A 44 10.387 7.683 3.356 1.00 0.00 H new ATOM 0 HG13 VAL A 44 10.058 8.990 4.519 1.00 0.00 H new ATOM 0 HG21 VAL A 44 13.027 9.617 5.063 1.00 0.00 H new ATOM 0 HG22 VAL A 44 11.811 9.462 6.353 1.00 0.00 H new ATOM 0 HG23 VAL A 44 13.282 8.462 6.393 1.00 0.00 H new ATOM 572 N LEU A 45 9.556 5.468 4.638 1.00 0.00 N ATOM 573 CA LEU A 45 9.105 4.327 3.856 1.00 0.00 C ATOM 574 C LEU A 45 8.556 4.817 2.525 1.00 0.00 C ATOM 575 O LEU A 45 8.234 5.994 2.387 1.00 0.00 O ATOM 576 CB LEU A 45 8.032 3.539 4.614 1.00 0.00 C ATOM 577 CG LEU A 45 8.452 3.031 5.996 1.00 0.00 C ATOM 578 CD1 LEU A 45 8.005 3.997 7.081 1.00 0.00 C ATOM 579 CD2 LEU A 45 7.886 1.645 6.249 1.00 0.00 C ATOM 0 H LEU A 45 8.835 6.169 4.806 1.00 0.00 H new ATOM 0 HA LEU A 45 9.950 3.661 3.679 1.00 0.00 H new ATOM 0 HB2 LEU A 45 7.152 4.172 4.729 1.00 0.00 H new ATOM 0 HB3 LEU A 45 7.733 2.685 4.006 1.00 0.00 H new ATOM 0 HG LEU A 45 9.540 2.968 6.022 1.00 0.00 H new ATOM 0 HD11 LEU A 45 8.313 3.618 8.055 1.00 0.00 H new ATOM 0 HD12 LEU A 45 8.461 4.972 6.910 1.00 0.00 H new ATOM 0 HD13 LEU A 45 6.920 4.095 7.056 1.00 0.00 H new ATOM 0 HD21 LEU A 45 8.195 1.300 7.236 1.00 0.00 H new ATOM 0 HD22 LEU A 45 6.798 1.682 6.202 1.00 0.00 H new ATOM 0 HD23 LEU A 45 8.259 0.956 5.491 1.00 0.00 H new ATOM 591 N ALA A 46 8.467 3.928 1.547 1.00 0.00 N ATOM 592 CA ALA A 46 7.965 4.305 0.231 1.00 0.00 C ATOM 593 C ALA A 46 7.336 3.119 -0.493 1.00 0.00 C ATOM 594 O ALA A 46 7.703 1.967 -0.249 1.00 0.00 O ATOM 595 CB ALA A 46 9.088 4.898 -0.604 1.00 0.00 C ATOM 0 H ALA A 46 8.733 2.947 1.637 1.00 0.00 H new ATOM 0 HA ALA A 46 7.186 5.055 0.372 1.00 0.00 H new ATOM 0 HB1 ALA A 46 8.704 5.177 -1.585 1.00 0.00 H new ATOM 0 HB2 ALA A 46 9.484 5.782 -0.105 1.00 0.00 H new ATOM 0 HB3 ALA A 46 9.882 4.161 -0.721 1.00 0.00 H new ATOM 601 N CYS A 47 6.389 3.414 -1.380 1.00 0.00 N ATOM 602 CA CYS A 47 5.701 2.383 -2.153 1.00 0.00 C ATOM 603 C CYS A 47 6.150 2.426 -3.606 1.00 0.00 C ATOM 604 O CYS A 47 6.908 3.314 -3.996 1.00 0.00 O ATOM 605 CB CYS A 47 4.184 2.574 -2.083 1.00 0.00 C ATOM 606 SG CYS A 47 3.573 3.138 -0.463 1.00 0.00 S ATOM 0 H CYS A 47 6.079 4.365 -1.582 1.00 0.00 H new ATOM 0 HA CYS A 47 5.955 1.414 -1.724 1.00 0.00 H new ATOM 0 HB2 CYS A 47 3.885 3.297 -2.842 1.00 0.00 H new ATOM 0 HB3 CYS A 47 3.699 1.630 -2.333 1.00 0.00 H new ATOM 611 N ASN A 48 5.685 1.473 -4.401 1.00 0.00 N ATOM 612 CA ASN A 48 6.046 1.419 -5.814 1.00 0.00 C ATOM 613 C ASN A 48 5.032 2.194 -6.654 1.00 0.00 C ATOM 614 O ASN A 48 3.827 2.123 -6.417 1.00 0.00 O ATOM 615 CB ASN A 48 6.154 -0.034 -6.305 1.00 0.00 C ATOM 616 CG ASN A 48 4.838 -0.790 -6.264 1.00 0.00 C ATOM 617 OD1 ASN A 48 3.991 -0.546 -5.405 1.00 0.00 O ATOM 618 ND2 ASN A 48 4.665 -1.726 -7.184 1.00 0.00 N ATOM 0 H ASN A 48 5.059 0.728 -4.095 1.00 0.00 H new ATOM 0 HA ASN A 48 7.024 1.885 -5.929 1.00 0.00 H new ATOM 0 HB2 ASN A 48 6.533 -0.036 -7.327 1.00 0.00 H new ATOM 0 HB3 ASN A 48 6.886 -0.562 -5.693 1.00 0.00 H new ATOM 0 HD21 ASN A 48 3.805 -2.275 -7.198 1.00 0.00 H new ATOM 0 HD22 ASN A 48 5.391 -1.898 -7.879 1.00 0.00 H new ATOM 625 N PRO A 49 5.515 2.964 -7.635 1.00 0.00 N ATOM 626 CA PRO A 49 4.665 3.762 -8.518 1.00 0.00 C ATOM 627 C PRO A 49 4.171 2.975 -9.731 1.00 0.00 C ATOM 628 O PRO A 49 3.692 3.553 -10.705 1.00 0.00 O ATOM 629 CB PRO A 49 5.618 4.868 -8.961 1.00 0.00 C ATOM 630 CG PRO A 49 6.938 4.184 -9.047 1.00 0.00 C ATOM 631 CD PRO A 49 6.946 3.151 -7.949 1.00 0.00 C ATOM 0 HA PRO A 49 3.757 4.107 -8.024 1.00 0.00 H new ATOM 0 HB2 PRO A 49 5.323 5.290 -9.922 1.00 0.00 H new ATOM 0 HB3 PRO A 49 5.639 5.689 -8.245 1.00 0.00 H new ATOM 0 HG2 PRO A 49 7.072 3.717 -10.023 1.00 0.00 H new ATOM 0 HG3 PRO A 49 7.754 4.895 -8.919 1.00 0.00 H new ATOM 0 HD2 PRO A 49 7.409 2.221 -8.278 1.00 0.00 H new ATOM 0 HD3 PRO A 49 7.505 3.495 -7.079 1.00 0.00 H new ATOM 639 N ALA A 50 4.296 1.657 -9.673 1.00 0.00 N ATOM 640 CA ALA A 50 3.872 0.810 -10.775 1.00 0.00 C ATOM 641 C ALA A 50 2.589 0.060 -10.440 1.00 0.00 C ATOM 642 O ALA A 50 1.542 0.299 -11.047 1.00 0.00 O ATOM 643 CB ALA A 50 4.980 -0.165 -11.141 1.00 0.00 C ATOM 0 H ALA A 50 4.687 1.153 -8.877 1.00 0.00 H new ATOM 0 HA ALA A 50 3.665 1.450 -11.633 1.00 0.00 H new ATOM 0 HB1 ALA A 50 4.652 -0.795 -11.968 1.00 0.00 H new ATOM 0 HB2 ALA A 50 5.870 0.390 -11.439 1.00 0.00 H new ATOM 0 HB3 ALA A 50 5.214 -0.790 -10.279 1.00 0.00 H new ATOM 649 N ASP A 51 2.667 -0.834 -9.465 1.00 0.00 N ATOM 650 CA ASP A 51 1.511 -1.630 -9.070 1.00 0.00 C ATOM 651 C ASP A 51 0.787 -1.003 -7.886 1.00 0.00 C ATOM 652 O ASP A 51 0.786 -1.550 -6.784 1.00 0.00 O ATOM 653 CB ASP A 51 1.925 -3.064 -8.723 1.00 0.00 C ATOM 654 CG ASP A 51 2.805 -3.698 -9.781 1.00 0.00 C ATOM 655 OD1 ASP A 51 2.270 -4.270 -10.755 1.00 0.00 O ATOM 656 OD2 ASP A 51 4.045 -3.633 -9.643 1.00 0.00 O ATOM 0 H ASP A 51 3.516 -1.027 -8.933 1.00 0.00 H new ATOM 0 HA ASP A 51 0.829 -1.655 -9.920 1.00 0.00 H new ATOM 0 HB2 ASP A 51 2.455 -3.063 -7.770 1.00 0.00 H new ATOM 0 HB3 ASP A 51 1.031 -3.672 -8.590 1.00 0.00 H new ATOM 661 N PHE A 52 0.186 0.154 -8.116 1.00 0.00 N ATOM 662 CA PHE A 52 -0.562 0.848 -7.079 1.00 0.00 C ATOM 663 C PHE A 52 -1.930 1.234 -7.628 1.00 0.00 C ATOM 664 O PHE A 52 -2.078 1.460 -8.832 1.00 0.00 O ATOM 665 CB PHE A 52 0.208 2.080 -6.569 1.00 0.00 C ATOM 666 CG PHE A 52 0.069 3.313 -7.421 1.00 0.00 C ATOM 667 CD1 PHE A 52 0.789 3.449 -8.594 1.00 0.00 C ATOM 668 CD2 PHE A 52 -0.779 4.342 -7.037 1.00 0.00 C ATOM 669 CE1 PHE A 52 0.669 4.587 -9.371 1.00 0.00 C ATOM 670 CE2 PHE A 52 -0.902 5.480 -7.807 1.00 0.00 C ATOM 671 CZ PHE A 52 -0.179 5.602 -8.976 1.00 0.00 C ATOM 0 H PHE A 52 0.202 0.634 -9.016 1.00 0.00 H new ATOM 0 HA PHE A 52 -0.696 0.184 -6.225 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -0.135 2.313 -5.561 1.00 0.00 H new ATOM 0 HB3 PHE A 52 1.265 1.825 -6.495 1.00 0.00 H new ATOM 0 HD1 PHE A 52 1.453 2.657 -8.907 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -1.349 4.251 -6.125 1.00 0.00 H new ATOM 0 HE1 PHE A 52 1.237 4.681 -10.284 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -1.564 6.275 -7.495 1.00 0.00 H new ATOM 0 HZ PHE A 52 -0.277 6.491 -9.581 1.00 0.00 H new ATOM 681 N SER A 53 -2.934 1.272 -6.772 1.00 0.00 N ATOM 682 CA SER A 53 -4.278 1.620 -7.212 1.00 0.00 C ATOM 683 C SER A 53 -5.027 2.410 -6.143 1.00 0.00 C ATOM 684 O SER A 53 -5.209 1.943 -5.019 1.00 0.00 O ATOM 685 CB SER A 53 -5.061 0.352 -7.572 1.00 0.00 C ATOM 686 OG SER A 53 -4.381 -0.405 -8.563 1.00 0.00 O ATOM 0 H SER A 53 -2.849 1.069 -5.776 1.00 0.00 H new ATOM 0 HA SER A 53 -4.187 2.251 -8.096 1.00 0.00 H new ATOM 0 HB2 SER A 53 -5.204 -0.257 -6.679 1.00 0.00 H new ATOM 0 HB3 SER A 53 -6.052 0.624 -7.934 1.00 0.00 H new ATOM 0 HG SER A 53 -4.900 -1.209 -8.774 1.00 0.00 H new ATOM 692 N SER A 54 -5.439 3.618 -6.497 1.00 0.00 N ATOM 693 CA SER A 54 -6.179 4.471 -5.584 1.00 0.00 C ATOM 694 C SER A 54 -7.666 4.142 -5.660 1.00 0.00 C ATOM 695 O SER A 54 -8.378 4.614 -6.548 1.00 0.00 O ATOM 696 CB SER A 54 -5.937 5.938 -5.931 1.00 0.00 C ATOM 697 OG SER A 54 -5.062 6.054 -7.042 1.00 0.00 O ATOM 0 H SER A 54 -5.272 4.030 -7.415 1.00 0.00 H new ATOM 0 HA SER A 54 -5.834 4.294 -4.565 1.00 0.00 H new ATOM 0 HB2 SER A 54 -6.886 6.424 -6.157 1.00 0.00 H new ATOM 0 HB3 SER A 54 -5.511 6.455 -5.071 1.00 0.00 H new ATOM 0 HG SER A 54 -4.921 7.001 -7.250 1.00 0.00 H new ATOM 703 N VAL A 55 -8.122 3.310 -4.740 1.00 0.00 N ATOM 704 CA VAL A 55 -9.514 2.907 -4.704 1.00 0.00 C ATOM 705 C VAL A 55 -10.370 3.973 -4.021 1.00 0.00 C ATOM 706 O VAL A 55 -9.973 4.555 -3.012 1.00 0.00 O ATOM 707 CB VAL A 55 -9.686 1.545 -3.992 1.00 0.00 C ATOM 708 CG1 VAL A 55 -9.197 1.610 -2.552 1.00 0.00 C ATOM 709 CG2 VAL A 55 -11.134 1.081 -4.052 1.00 0.00 C ATOM 0 H VAL A 55 -7.545 2.900 -4.006 1.00 0.00 H new ATOM 0 HA VAL A 55 -9.851 2.796 -5.735 1.00 0.00 H new ATOM 0 HB VAL A 55 -9.073 0.814 -4.519 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -9.331 0.638 -2.078 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -8.141 1.878 -2.538 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -9.769 2.361 -2.007 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -11.230 0.121 -3.545 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -11.772 1.816 -3.561 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -11.439 0.973 -5.093 1.00 0.00 H new ATOM 719 N THR A 56 -11.533 4.241 -4.587 1.00 0.00 N ATOM 720 CA THR A 56 -12.434 5.231 -4.025 1.00 0.00 C ATOM 721 C THR A 56 -13.513 4.552 -3.194 1.00 0.00 C ATOM 722 O THR A 56 -14.051 3.513 -3.583 1.00 0.00 O ATOM 723 CB THR A 56 -13.083 6.102 -5.129 1.00 0.00 C ATOM 724 OG1 THR A 56 -14.056 6.991 -4.557 1.00 0.00 O ATOM 725 CG2 THR A 56 -13.743 5.241 -6.200 1.00 0.00 C ATOM 0 H THR A 56 -11.875 3.788 -5.434 1.00 0.00 H new ATOM 0 HA THR A 56 -11.846 5.887 -3.383 1.00 0.00 H new ATOM 0 HB THR A 56 -12.290 6.685 -5.597 1.00 0.00 H new ATOM 0 HG1 THR A 56 -14.457 7.537 -5.265 1.00 0.00 H new ATOM 0 HG21 THR A 56 -14.189 5.883 -6.960 1.00 0.00 H new ATOM 0 HG22 THR A 56 -12.994 4.598 -6.662 1.00 0.00 H new ATOM 0 HG23 THR A 56 -14.519 4.625 -5.745 1.00 0.00 H new ATOM 733 N ALA A 57 -13.806 5.121 -2.032 1.00 0.00 N ATOM 734 CA ALA A 57 -14.828 4.568 -1.163 1.00 0.00 C ATOM 735 C ALA A 57 -16.206 4.809 -1.763 1.00 0.00 C ATOM 736 O ALA A 57 -16.553 5.940 -2.116 1.00 0.00 O ATOM 737 CB ALA A 57 -14.729 5.168 0.231 1.00 0.00 C ATOM 0 H ALA A 57 -13.351 5.961 -1.674 1.00 0.00 H new ATOM 0 HA ALA A 57 -14.672 3.493 -1.075 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -15.504 4.740 0.867 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -13.749 4.946 0.654 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -14.863 6.248 0.173 1.00 0.00 H new ATOM 743 N ASP A 58 -16.979 3.741 -1.894 1.00 0.00 N ATOM 744 CA ASP A 58 -18.314 3.827 -2.471 1.00 0.00 C ATOM 745 C ASP A 58 -19.302 4.455 -1.485 1.00 0.00 C ATOM 746 O ASP A 58 -18.929 4.824 -0.368 1.00 0.00 O ATOM 747 CB ASP A 58 -18.801 2.440 -2.910 1.00 0.00 C ATOM 748 CG ASP A 58 -19.348 1.617 -1.765 1.00 0.00 C ATOM 749 OD1 ASP A 58 -18.553 1.154 -0.923 1.00 0.00 O ATOM 750 OD2 ASP A 58 -20.578 1.425 -1.712 1.00 0.00 O ATOM 0 H ASP A 58 -16.704 2.801 -1.608 1.00 0.00 H new ATOM 0 HA ASP A 58 -18.260 4.471 -3.349 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -19.575 2.556 -3.669 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -17.976 1.902 -3.376 1.00 0.00 H new ATOM 755 N ALA A 59 -20.558 4.562 -1.903 1.00 0.00 N ATOM 756 CA ALA A 59 -21.609 5.159 -1.081 1.00 0.00 C ATOM 757 C ALA A 59 -21.816 4.404 0.233 1.00 0.00 C ATOM 758 O ALA A 59 -22.250 4.988 1.226 1.00 0.00 O ATOM 759 CB ALA A 59 -22.916 5.216 -1.859 1.00 0.00 C ATOM 0 H ALA A 59 -20.878 4.240 -2.816 1.00 0.00 H new ATOM 0 HA ALA A 59 -21.287 6.170 -0.830 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -23.691 5.663 -1.236 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -22.779 5.819 -2.756 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -23.215 4.207 -2.142 1.00 0.00 H new ATOM 765 N ASN A 60 -21.500 3.112 0.242 1.00 0.00 N ATOM 766 CA ASN A 60 -21.662 2.290 1.442 1.00 0.00 C ATOM 767 C ASN A 60 -20.499 2.494 2.409 1.00 0.00 C ATOM 768 O ASN A 60 -20.533 2.017 3.545 1.00 0.00 O ATOM 769 CB ASN A 60 -21.782 0.810 1.071 1.00 0.00 C ATOM 770 CG ASN A 60 -23.080 0.489 0.361 1.00 0.00 C ATOM 771 OD1 ASN A 60 -24.089 0.177 0.994 1.00 0.00 O ATOM 772 ND2 ASN A 60 -23.063 0.561 -0.959 1.00 0.00 N ATOM 0 H ASN A 60 -21.131 2.610 -0.566 1.00 0.00 H new ATOM 0 HA ASN A 60 -22.580 2.604 1.938 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -20.944 0.531 0.432 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -21.708 0.206 1.975 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -23.908 0.354 -1.492 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -22.205 0.824 -1.444 1.00 0.00 H new ATOM 779 N GLY A 61 -19.471 3.199 1.948 1.00 0.00 N ATOM 780 CA GLY A 61 -18.311 3.468 2.779 1.00 0.00 C ATOM 781 C GLY A 61 -17.312 2.329 2.782 1.00 0.00 C ATOM 782 O GLY A 61 -16.682 2.052 3.804 1.00 0.00 O ATOM 0 H GLY A 61 -19.421 3.591 1.008 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -17.820 4.375 2.426 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -18.639 3.660 3.801 1.00 0.00 H new ATOM 786 N SER A 62 -17.158 1.674 1.641 1.00 0.00 N ATOM 787 CA SER A 62 -16.232 0.560 1.528 1.00 0.00 C ATOM 788 C SER A 62 -15.302 0.737 0.331 1.00 0.00 C ATOM 789 O SER A 62 -15.643 1.419 -0.641 1.00 0.00 O ATOM 790 CB SER A 62 -17.008 -0.755 1.416 1.00 0.00 C ATOM 791 OG SER A 62 -18.382 -0.521 1.131 1.00 0.00 O ATOM 0 H SER A 62 -17.662 1.895 0.782 1.00 0.00 H new ATOM 0 HA SER A 62 -15.616 0.533 2.427 1.00 0.00 H new ATOM 0 HB2 SER A 62 -16.571 -1.372 0.631 1.00 0.00 H new ATOM 0 HB3 SER A 62 -16.918 -1.314 2.347 1.00 0.00 H new ATOM 0 HG SER A 62 -18.461 -0.007 0.300 1.00 0.00 H new ATOM 797 N ALA A 63 -14.124 0.133 0.412 1.00 0.00 N ATOM 798 CA ALA A 63 -13.142 0.217 -0.659 1.00 0.00 C ATOM 799 C ALA A 63 -12.353 -1.080 -0.769 1.00 0.00 C ATOM 800 O ALA A 63 -11.796 -1.564 0.217 1.00 0.00 O ATOM 801 CB ALA A 63 -12.203 1.390 -0.421 1.00 0.00 C ATOM 0 H ALA A 63 -13.825 -0.423 1.213 1.00 0.00 H new ATOM 0 HA ALA A 63 -13.670 0.376 -1.599 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -11.473 1.442 -1.229 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -12.778 2.316 -0.391 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -11.684 1.254 0.528 1.00 0.00 H new ATOM 807 N SER A 64 -12.310 -1.645 -1.965 1.00 0.00 N ATOM 808 CA SER A 64 -11.584 -2.879 -2.197 1.00 0.00 C ATOM 809 C SER A 64 -10.725 -2.764 -3.451 1.00 0.00 C ATOM 810 O SER A 64 -11.152 -2.202 -4.457 1.00 0.00 O ATOM 811 CB SER A 64 -12.557 -4.054 -2.330 1.00 0.00 C ATOM 812 OG SER A 64 -11.910 -5.289 -2.063 1.00 0.00 O ATOM 0 H SER A 64 -12.772 -1.265 -2.792 1.00 0.00 H new ATOM 0 HA SER A 64 -10.932 -3.060 -1.343 1.00 0.00 H new ATOM 0 HB2 SER A 64 -13.390 -3.920 -1.640 1.00 0.00 H new ATOM 0 HB3 SER A 64 -12.976 -4.070 -3.336 1.00 0.00 H new ATOM 0 HG SER A 64 -11.056 -5.120 -1.613 1.00 0.00 H new ATOM 818 N THR A 65 -9.518 -3.299 -3.385 1.00 0.00 N ATOM 819 CA THR A 65 -8.599 -3.257 -4.506 1.00 0.00 C ATOM 820 C THR A 65 -7.550 -4.358 -4.359 1.00 0.00 C ATOM 821 O THR A 65 -7.445 -4.985 -3.302 1.00 0.00 O ATOM 822 CB THR A 65 -7.922 -1.868 -4.624 1.00 0.00 C ATOM 823 OG1 THR A 65 -7.213 -1.760 -5.864 1.00 0.00 O ATOM 824 CG2 THR A 65 -6.965 -1.619 -3.465 1.00 0.00 C ATOM 0 H THR A 65 -9.151 -3.771 -2.559 1.00 0.00 H new ATOM 0 HA THR A 65 -9.165 -3.426 -5.422 1.00 0.00 H new ATOM 0 HB THR A 65 -8.709 -1.114 -4.591 1.00 0.00 H new ATOM 0 HG1 THR A 65 -7.341 -0.863 -6.237 1.00 0.00 H new ATOM 0 HG21 THR A 65 -6.506 -0.637 -3.577 1.00 0.00 H new ATOM 0 HG22 THR A 65 -7.515 -1.658 -2.525 1.00 0.00 H new ATOM 0 HG23 THR A 65 -6.189 -2.384 -3.463 1.00 0.00 H new ATOM 832 N SER A 66 -6.789 -4.600 -5.413 1.00 0.00 N ATOM 833 CA SER A 66 -5.763 -5.630 -5.399 1.00 0.00 C ATOM 834 C SER A 66 -4.446 -5.090 -5.954 1.00 0.00 C ATOM 835 O SER A 66 -4.415 -4.503 -7.036 1.00 0.00 O ATOM 836 CB SER A 66 -6.241 -6.831 -6.210 1.00 0.00 C ATOM 837 OG SER A 66 -7.477 -7.313 -5.711 1.00 0.00 O ATOM 0 H SER A 66 -6.863 -4.093 -6.295 1.00 0.00 H new ATOM 0 HA SER A 66 -5.585 -5.943 -4.370 1.00 0.00 H new ATOM 0 HB2 SER A 66 -6.351 -6.548 -7.257 1.00 0.00 H new ATOM 0 HB3 SER A 66 -5.493 -7.623 -6.171 1.00 0.00 H new ATOM 0 HG SER A 66 -7.768 -8.082 -6.245 1.00 0.00 H new ATOM 843 N LEU A 67 -3.359 -5.288 -5.213 1.00 0.00 N ATOM 844 CA LEU A 67 -2.048 -4.792 -5.630 1.00 0.00 C ATOM 845 C LEU A 67 -1.067 -5.933 -5.858 1.00 0.00 C ATOM 846 O LEU A 67 -1.095 -6.930 -5.147 1.00 0.00 O ATOM 847 CB LEU A 67 -1.471 -3.834 -4.578 1.00 0.00 C ATOM 848 CG LEU A 67 -2.187 -2.486 -4.435 1.00 0.00 C ATOM 849 CD1 LEU A 67 -2.555 -1.924 -5.800 1.00 0.00 C ATOM 850 CD2 LEU A 67 -3.424 -2.620 -3.560 1.00 0.00 C ATOM 0 H LEU A 67 -3.358 -5.787 -4.323 1.00 0.00 H new ATOM 0 HA LEU A 67 -2.190 -4.259 -6.570 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -1.486 -4.336 -3.611 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -0.426 -3.644 -4.822 1.00 0.00 H new ATOM 0 HG LEU A 67 -1.502 -1.790 -3.951 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -3.062 -0.967 -5.675 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -1.650 -1.781 -6.390 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -3.217 -2.621 -6.314 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -3.915 -1.651 -3.473 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -4.112 -3.336 -4.009 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -3.133 -2.969 -2.569 1.00 0.00 H new ATOM 862 N THR A 68 -0.195 -5.780 -6.842 1.00 0.00 N ATOM 863 CA THR A 68 0.790 -6.808 -7.147 1.00 0.00 C ATOM 864 C THR A 68 2.111 -6.521 -6.430 1.00 0.00 C ATOM 865 O THR A 68 2.702 -5.457 -6.607 1.00 0.00 O ATOM 866 CB THR A 68 1.038 -6.906 -8.665 1.00 0.00 C ATOM 867 OG1 THR A 68 -0.199 -6.739 -9.378 1.00 0.00 O ATOM 868 CG2 THR A 68 1.654 -8.250 -9.023 1.00 0.00 C ATOM 0 H THR A 68 -0.148 -4.957 -7.442 1.00 0.00 H new ATOM 0 HA THR A 68 0.391 -7.760 -6.795 1.00 0.00 H new ATOM 0 HB THR A 68 1.731 -6.115 -8.950 1.00 0.00 H new ATOM 0 HG1 THR A 68 -0.032 -6.801 -10.342 1.00 0.00 H new ATOM 0 HG21 THR A 68 1.821 -8.299 -10.099 1.00 0.00 H new ATOM 0 HG22 THR A 68 2.605 -8.365 -8.503 1.00 0.00 H new ATOM 0 HG23 THR A 68 0.978 -9.051 -8.724 1.00 0.00 H new ATOM 876 N VAL A 69 2.556 -7.461 -5.606 1.00 0.00 N ATOM 877 CA VAL A 69 3.803 -7.290 -4.871 1.00 0.00 C ATOM 878 C VAL A 69 5.007 -7.643 -5.744 1.00 0.00 C ATOM 879 O VAL A 69 4.976 -8.609 -6.510 1.00 0.00 O ATOM 880 CB VAL A 69 3.820 -8.134 -3.571 1.00 0.00 C ATOM 881 CG1 VAL A 69 3.805 -9.626 -3.876 1.00 0.00 C ATOM 882 CG2 VAL A 69 5.020 -7.775 -2.705 1.00 0.00 C ATOM 0 H VAL A 69 2.076 -8.344 -5.430 1.00 0.00 H new ATOM 0 HA VAL A 69 3.870 -6.238 -4.592 1.00 0.00 H new ATOM 0 HB VAL A 69 2.913 -7.898 -3.015 1.00 0.00 H new ATOM 0 HG11 VAL A 69 3.818 -10.188 -2.942 1.00 0.00 H new ATOM 0 HG12 VAL A 69 2.904 -9.874 -4.437 1.00 0.00 H new ATOM 0 HG13 VAL A 69 4.683 -9.885 -4.468 1.00 0.00 H new ATOM 0 HG21 VAL A 69 5.009 -8.381 -1.799 1.00 0.00 H new ATOM 0 HG22 VAL A 69 5.939 -7.967 -3.259 1.00 0.00 H new ATOM 0 HG23 VAL A 69 4.972 -6.720 -2.436 1.00 0.00 H new ATOM 892 N ARG A 70 6.058 -6.845 -5.637 1.00 0.00 N ATOM 893 CA ARG A 70 7.274 -7.055 -6.407 1.00 0.00 C ATOM 894 C ARG A 70 8.449 -7.336 -5.478 1.00 0.00 C ATOM 895 O ARG A 70 8.419 -6.971 -4.305 1.00 0.00 O ATOM 896 CB ARG A 70 7.582 -5.824 -7.265 1.00 0.00 C ATOM 897 CG ARG A 70 6.449 -5.426 -8.195 1.00 0.00 C ATOM 898 CD ARG A 70 6.190 -6.488 -9.251 1.00 0.00 C ATOM 899 NE ARG A 70 4.998 -6.184 -10.033 1.00 0.00 N ATOM 900 CZ ARG A 70 4.464 -6.999 -10.937 1.00 0.00 C ATOM 901 NH1 ARG A 70 5.029 -8.176 -11.199 1.00 0.00 N ATOM 902 NH2 ARG A 70 3.368 -6.636 -11.579 1.00 0.00 N ATOM 0 H ARG A 70 6.092 -6.036 -5.016 1.00 0.00 H new ATOM 0 HA ARG A 70 7.121 -7.915 -7.059 1.00 0.00 H new ATOM 0 HB2 ARG A 70 7.813 -4.984 -6.609 1.00 0.00 H new ATOM 0 HB3 ARG A 70 8.475 -6.021 -7.859 1.00 0.00 H new ATOM 0 HG2 ARG A 70 5.542 -5.262 -7.614 1.00 0.00 H new ATOM 0 HG3 ARG A 70 6.692 -4.481 -8.681 1.00 0.00 H new ATOM 0 HD2 ARG A 70 7.052 -6.562 -9.914 1.00 0.00 H new ATOM 0 HD3 ARG A 70 6.073 -7.459 -8.771 1.00 0.00 H new ATOM 0 HE ARG A 70 4.543 -5.285 -9.876 1.00 0.00 H new ATOM 0 HH11 ARG A 70 5.876 -8.456 -10.705 1.00 0.00 H new ATOM 0 HH12 ARG A 70 4.615 -8.797 -11.894 1.00 0.00 H new ATOM 0 HH21 ARG A 70 2.936 -5.734 -11.380 1.00 0.00 H new ATOM 0 HH22 ARG A 70 2.954 -7.258 -12.274 1.00 0.00 H new ATOM 916 N ARG A 71 9.481 -7.981 -6.011 1.00 0.00 N ATOM 917 CA ARG A 71 10.672 -8.303 -5.232 1.00 0.00 C ATOM 918 C ARG A 71 11.533 -7.057 -5.059 1.00 0.00 C ATOM 919 O ARG A 71 12.131 -6.835 -4.012 1.00 0.00 O ATOM 920 CB ARG A 71 11.478 -9.410 -5.918 1.00 0.00 C ATOM 921 CG ARG A 71 12.410 -10.146 -4.974 1.00 0.00 C ATOM 922 CD ARG A 71 11.650 -11.123 -4.094 1.00 0.00 C ATOM 923 NE ARG A 71 10.989 -12.160 -4.885 1.00 0.00 N ATOM 924 CZ ARG A 71 10.767 -13.400 -4.457 1.00 0.00 C ATOM 925 NH1 ARG A 71 11.131 -13.767 -3.235 1.00 0.00 N ATOM 926 NH2 ARG A 71 10.171 -14.269 -5.258 1.00 0.00 N ATOM 0 H ARG A 71 9.517 -8.292 -6.982 1.00 0.00 H new ATOM 0 HA ARG A 71 10.361 -8.660 -4.250 1.00 0.00 H new ATOM 0 HB2 ARG A 71 10.790 -10.125 -6.369 1.00 0.00 H new ATOM 0 HB3 ARG A 71 12.062 -8.975 -6.729 1.00 0.00 H new ATOM 0 HG2 ARG A 71 13.164 -10.683 -5.550 1.00 0.00 H new ATOM 0 HG3 ARG A 71 12.939 -9.427 -4.349 1.00 0.00 H new ATOM 0 HD2 ARG A 71 12.338 -11.587 -3.387 1.00 0.00 H new ATOM 0 HD3 ARG A 71 10.907 -10.583 -3.508 1.00 0.00 H new ATOM 0 HE ARG A 71 10.678 -11.917 -5.826 1.00 0.00 H new ATOM 0 HH11 ARG A 71 11.585 -13.096 -2.615 1.00 0.00 H new ATOM 0 HH12 ARG A 71 10.957 -14.720 -2.916 1.00 0.00 H new ATOM 0 HH21 ARG A 71 9.886 -13.986 -6.196 1.00 0.00 H new ATOM 0 HH22 ARG A 71 9.997 -15.222 -4.938 1.00 0.00 H new ATOM 940 N SER A 72 11.589 -6.255 -6.106 1.00 0.00 N ATOM 941 CA SER A 72 12.339 -5.014 -6.096 1.00 0.00 C ATOM 942 C SER A 72 11.513 -3.953 -6.810 1.00 0.00 C ATOM 943 O SER A 72 10.865 -4.250 -7.817 1.00 0.00 O ATOM 944 CB SER A 72 13.700 -5.204 -6.773 1.00 0.00 C ATOM 945 OG SER A 72 14.336 -6.395 -6.321 1.00 0.00 O ATOM 0 H SER A 72 11.115 -6.447 -6.988 1.00 0.00 H new ATOM 0 HA SER A 72 12.530 -4.698 -5.071 1.00 0.00 H new ATOM 0 HB2 SER A 72 13.569 -5.246 -7.854 1.00 0.00 H new ATOM 0 HB3 SER A 72 14.337 -4.345 -6.562 1.00 0.00 H new ATOM 0 HG SER A 72 14.631 -6.277 -5.394 1.00 0.00 H new ATOM 951 N PHE A 73 11.506 -2.737 -6.284 1.00 0.00 N ATOM 952 CA PHE A 73 10.718 -1.668 -6.880 1.00 0.00 C ATOM 953 C PHE A 73 11.299 -0.297 -6.571 1.00 0.00 C ATOM 954 O PHE A 73 12.277 -0.169 -5.835 1.00 0.00 O ATOM 955 CB PHE A 73 9.278 -1.744 -6.364 1.00 0.00 C ATOM 956 CG PHE A 73 9.167 -1.726 -4.860 1.00 0.00 C ATOM 957 CD1 PHE A 73 9.319 -2.893 -4.126 1.00 0.00 C ATOM 958 CD2 PHE A 73 8.906 -0.543 -4.184 1.00 0.00 C ATOM 959 CE1 PHE A 73 9.213 -2.881 -2.749 1.00 0.00 C ATOM 960 CE2 PHE A 73 8.801 -0.525 -2.807 1.00 0.00 C ATOM 961 CZ PHE A 73 8.954 -1.697 -2.088 1.00 0.00 C ATOM 0 H PHE A 73 12.032 -2.467 -5.453 1.00 0.00 H new ATOM 0 HA PHE A 73 10.737 -1.802 -7.962 1.00 0.00 H new ATOM 0 HB2 PHE A 73 8.712 -0.906 -6.771 1.00 0.00 H new ATOM 0 HB3 PHE A 73 8.814 -2.655 -6.742 1.00 0.00 H new ATOM 0 HD1 PHE A 73 9.523 -3.822 -4.637 1.00 0.00 H new ATOM 0 HD2 PHE A 73 8.784 0.374 -4.741 1.00 0.00 H new ATOM 0 HE1 PHE A 73 9.333 -3.797 -2.190 1.00 0.00 H new ATOM 0 HE2 PHE A 73 8.600 0.403 -2.292 1.00 0.00 H new ATOM 0 HZ PHE A 73 8.871 -1.686 -1.011 1.00 0.00 H new ATOM 971 N GLU A 74 10.677 0.724 -7.139 1.00 0.00 N ATOM 972 CA GLU A 74 11.099 2.099 -6.928 1.00 0.00 C ATOM 973 C GLU A 74 10.348 2.681 -5.736 1.00 0.00 C ATOM 974 O GLU A 74 9.159 2.428 -5.570 1.00 0.00 O ATOM 975 CB GLU A 74 10.822 2.928 -8.183 1.00 0.00 C ATOM 976 CG GLU A 74 11.329 2.278 -9.463 1.00 0.00 C ATOM 977 CD GLU A 74 10.581 2.756 -10.686 1.00 0.00 C ATOM 978 OE1 GLU A 74 9.489 2.219 -10.969 1.00 0.00 O ATOM 979 OE2 GLU A 74 11.077 3.678 -11.366 1.00 0.00 O ATOM 0 H GLU A 74 9.871 0.624 -7.755 1.00 0.00 H new ATOM 0 HA GLU A 74 12.169 2.123 -6.724 1.00 0.00 H new ATOM 0 HB2 GLU A 74 9.748 3.094 -8.270 1.00 0.00 H new ATOM 0 HB3 GLU A 74 11.288 3.907 -8.073 1.00 0.00 H new ATOM 0 HG2 GLU A 74 12.391 2.495 -9.582 1.00 0.00 H new ATOM 0 HG3 GLU A 74 11.232 1.195 -9.381 1.00 0.00 H new ATOM 986 N GLY A 75 11.040 3.448 -4.908 1.00 0.00 N ATOM 987 CA GLY A 75 10.409 4.035 -3.742 1.00 0.00 C ATOM 988 C GLY A 75 9.839 5.408 -4.017 1.00 0.00 C ATOM 989 O GLY A 75 10.572 6.326 -4.405 1.00 0.00 O ATOM 0 H GLY A 75 12.028 3.675 -5.021 1.00 0.00 H new ATOM 0 HA2 GLY A 75 9.612 3.378 -3.396 1.00 0.00 H new ATOM 0 HA3 GLY A 75 11.138 4.104 -2.935 1.00 0.00 H new ATOM 993 N PHE A 76 8.536 5.561 -3.805 1.00 0.00 N ATOM 994 CA PHE A 76 7.864 6.828 -4.049 1.00 0.00 C ATOM 995 C PHE A 76 7.129 7.294 -2.804 1.00 0.00 C ATOM 996 O PHE A 76 6.570 6.482 -2.065 1.00 0.00 O ATOM 997 CB PHE A 76 6.882 6.694 -5.213 1.00 0.00 C ATOM 998 CG PHE A 76 7.463 7.108 -6.533 1.00 0.00 C ATOM 999 CD1 PHE A 76 8.605 6.494 -7.027 1.00 0.00 C ATOM 1000 CD2 PHE A 76 6.873 8.113 -7.278 1.00 0.00 C ATOM 1001 CE1 PHE A 76 9.142 6.875 -8.240 1.00 0.00 C ATOM 1002 CE2 PHE A 76 7.406 8.497 -8.493 1.00 0.00 C ATOM 1003 CZ PHE A 76 8.541 7.879 -8.973 1.00 0.00 C ATOM 0 H PHE A 76 7.924 4.819 -3.464 1.00 0.00 H new ATOM 0 HA PHE A 76 8.620 7.570 -4.306 1.00 0.00 H new ATOM 0 HB2 PHE A 76 6.548 5.658 -5.280 1.00 0.00 H new ATOM 0 HB3 PHE A 76 6.000 7.300 -5.006 1.00 0.00 H new ATOM 0 HD1 PHE A 76 9.079 5.709 -6.456 1.00 0.00 H new ATOM 0 HD2 PHE A 76 5.986 8.603 -6.905 1.00 0.00 H new ATOM 0 HE1 PHE A 76 10.030 6.389 -8.615 1.00 0.00 H new ATOM 0 HE2 PHE A 76 6.934 9.281 -9.067 1.00 0.00 H new ATOM 0 HZ PHE A 76 8.960 8.180 -9.922 1.00 0.00 H new ATOM 1013 N LEU A 77 7.146 8.597 -2.568 1.00 0.00 N ATOM 1014 CA LEU A 77 6.474 9.168 -1.415 1.00 0.00 C ATOM 1015 C LEU A 77 4.999 9.402 -1.729 1.00 0.00 C ATOM 1016 O LEU A 77 4.558 9.191 -2.858 1.00 0.00 O ATOM 1017 CB LEU A 77 7.144 10.483 -0.990 1.00 0.00 C ATOM 1018 CG LEU A 77 8.660 10.416 -0.775 1.00 0.00 C ATOM 1019 CD1 LEU A 77 9.154 11.694 -0.116 1.00 0.00 C ATOM 1020 CD2 LEU A 77 9.038 9.204 0.063 1.00 0.00 C ATOM 0 H LEU A 77 7.619 9.278 -3.162 1.00 0.00 H new ATOM 0 HA LEU A 77 6.551 8.463 -0.587 1.00 0.00 H new ATOM 0 HB2 LEU A 77 6.936 11.237 -1.749 1.00 0.00 H new ATOM 0 HB3 LEU A 77 6.679 10.824 -0.065 1.00 0.00 H new ATOM 0 HG LEU A 77 9.140 10.315 -1.749 1.00 0.00 H new ATOM 0 HD11 LEU A 77 10.232 11.634 0.031 1.00 0.00 H new ATOM 0 HD12 LEU A 77 8.922 12.546 -0.755 1.00 0.00 H new ATOM 0 HD13 LEU A 77 8.662 11.819 0.849 1.00 0.00 H new ATOM 0 HD21 LEU A 77 10.119 9.180 0.201 1.00 0.00 H new ATOM 0 HD22 LEU A 77 8.550 9.267 1.035 1.00 0.00 H new ATOM 0 HD23 LEU A 77 8.717 8.295 -0.446 1.00 0.00 H new ATOM 1032 N PHE A 78 4.253 9.881 -0.740 1.00 0.00 N ATOM 1033 CA PHE A 78 2.822 10.120 -0.897 1.00 0.00 C ATOM 1034 C PHE A 78 2.535 11.275 -1.861 1.00 0.00 C ATOM 1035 O PHE A 78 1.437 11.372 -2.411 1.00 0.00 O ATOM 1036 CB PHE A 78 2.192 10.398 0.471 1.00 0.00 C ATOM 1037 CG PHE A 78 0.766 9.932 0.582 1.00 0.00 C ATOM 1038 CD1 PHE A 78 0.445 8.591 0.419 1.00 0.00 C ATOM 1039 CD2 PHE A 78 -0.252 10.832 0.852 1.00 0.00 C ATOM 1040 CE1 PHE A 78 -0.864 8.160 0.523 1.00 0.00 C ATOM 1041 CE2 PHE A 78 -1.562 10.405 0.957 1.00 0.00 C ATOM 1042 CZ PHE A 78 -1.868 9.066 0.792 1.00 0.00 C ATOM 0 H PHE A 78 4.617 10.113 0.184 1.00 0.00 H new ATOM 0 HA PHE A 78 2.378 9.223 -1.329 1.00 0.00 H new ATOM 0 HB2 PHE A 78 2.787 9.908 1.242 1.00 0.00 H new ATOM 0 HB3 PHE A 78 2.232 11.469 0.670 1.00 0.00 H new ATOM 0 HD1 PHE A 78 1.227 7.877 0.209 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -0.019 11.879 0.982 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -1.100 7.114 0.394 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -2.347 11.116 1.168 1.00 0.00 H new ATOM 0 HZ PHE A 78 -2.891 8.731 0.874 1.00 0.00 H new ATOM 1052 N ASP A 79 3.517 12.142 -2.074 1.00 0.00 N ATOM 1053 CA ASP A 79 3.348 13.281 -2.972 1.00 0.00 C ATOM 1054 C ASP A 79 3.840 12.952 -4.379 1.00 0.00 C ATOM 1055 O ASP A 79 3.575 13.694 -5.329 1.00 0.00 O ATOM 1056 CB ASP A 79 4.100 14.502 -2.441 1.00 0.00 C ATOM 1057 CG ASP A 79 5.559 14.498 -2.837 1.00 0.00 C ATOM 1058 OD1 ASP A 79 6.290 13.570 -2.428 1.00 0.00 O ATOM 1059 OD2 ASP A 79 5.988 15.416 -3.565 1.00 0.00 O ATOM 0 H ASP A 79 4.437 12.080 -1.639 1.00 0.00 H new ATOM 0 HA ASP A 79 2.283 13.507 -3.018 1.00 0.00 H new ATOM 0 HB2 ASP A 79 3.627 15.409 -2.818 1.00 0.00 H new ATOM 0 HB3 ASP A 79 4.021 14.529 -1.354 1.00 0.00 H new ATOM 1064 N GLY A 80 4.549 11.841 -4.514 1.00 0.00 N ATOM 1065 CA GLY A 80 5.061 11.450 -5.813 1.00 0.00 C ATOM 1066 C GLY A 80 6.565 11.622 -5.943 1.00 0.00 C ATOM 1067 O GLY A 80 7.129 11.376 -7.009 1.00 0.00 O ATOM 0 H GLY A 80 4.779 11.205 -3.751 1.00 0.00 H new ATOM 0 HA2 GLY A 80 4.804 10.407 -5.998 1.00 0.00 H new ATOM 0 HA3 GLY A 80 4.567 12.041 -6.584 1.00 0.00 H new ATOM 1071 N THR A 81 7.216 12.056 -4.871 1.00 0.00 N ATOM 1072 CA THR A 81 8.660 12.239 -4.884 1.00 0.00 C ATOM 1073 C THR A 81 9.369 10.889 -4.824 1.00 0.00 C ATOM 1074 O THR A 81 8.999 10.014 -4.039 1.00 0.00 O ATOM 1075 CB THR A 81 9.118 13.109 -3.696 1.00 0.00 C ATOM 1076 OG1 THR A 81 8.507 14.400 -3.771 1.00 0.00 O ATOM 1077 CG2 THR A 81 10.633 13.272 -3.678 1.00 0.00 C ATOM 0 H THR A 81 6.768 12.287 -3.984 1.00 0.00 H new ATOM 0 HA THR A 81 8.922 12.745 -5.813 1.00 0.00 H new ATOM 0 HB THR A 81 8.813 12.605 -2.779 1.00 0.00 H new ATOM 0 HG1 THR A 81 8.801 14.946 -3.012 1.00 0.00 H new ATOM 0 HG21 THR A 81 10.922 13.890 -2.828 1.00 0.00 H new ATOM 0 HG22 THR A 81 11.103 12.293 -3.591 1.00 0.00 H new ATOM 0 HG23 THR A 81 10.959 13.750 -4.602 1.00 0.00 H new ATOM 1085 N ARG A 82 10.367 10.711 -5.675 1.00 0.00 N ATOM 1086 CA ARG A 82 11.129 9.477 -5.703 1.00 0.00 C ATOM 1087 C ARG A 82 12.270 9.542 -4.695 1.00 0.00 C ATOM 1088 O ARG A 82 13.028 10.511 -4.665 1.00 0.00 O ATOM 1089 CB ARG A 82 11.684 9.230 -7.105 1.00 0.00 C ATOM 1090 CG ARG A 82 12.539 7.977 -7.211 1.00 0.00 C ATOM 1091 CD ARG A 82 13.168 7.853 -8.587 1.00 0.00 C ATOM 1092 NE ARG A 82 13.924 6.609 -8.737 1.00 0.00 N ATOM 1093 CZ ARG A 82 13.524 5.579 -9.487 1.00 0.00 C ATOM 1094 NH1 ARG A 82 12.372 5.640 -10.140 1.00 0.00 N ATOM 1095 NH2 ARG A 82 14.281 4.492 -9.580 1.00 0.00 N ATOM 0 H ARG A 82 10.667 11.408 -6.356 1.00 0.00 H new ATOM 0 HA ARG A 82 10.468 8.652 -5.436 1.00 0.00 H new ATOM 0 HB2 ARG A 82 10.854 9.153 -7.807 1.00 0.00 H new ATOM 0 HB3 ARG A 82 12.279 10.092 -7.408 1.00 0.00 H new ATOM 0 HG2 ARG A 82 13.321 8.003 -6.452 1.00 0.00 H new ATOM 0 HG3 ARG A 82 11.927 7.098 -7.008 1.00 0.00 H new ATOM 0 HD2 ARG A 82 12.388 7.896 -9.347 1.00 0.00 H new ATOM 0 HD3 ARG A 82 13.829 8.702 -8.761 1.00 0.00 H new ATOM 0 HE ARG A 82 14.810 6.523 -8.239 1.00 0.00 H new ATOM 0 HH11 ARG A 82 11.790 6.475 -10.070 1.00 0.00 H new ATOM 0 HH12 ARG A 82 12.068 4.852 -10.712 1.00 0.00 H new ATOM 0 HH21 ARG A 82 15.168 4.444 -9.079 1.00 0.00 H new ATOM 0 HH22 ARG A 82 13.976 3.705 -10.153 1.00 0.00 H new ATOM 1109 N TRP A 83 12.382 8.522 -3.862 1.00 0.00 N ATOM 1110 CA TRP A 83 13.441 8.482 -2.864 1.00 0.00 C ATOM 1111 C TRP A 83 14.591 7.606 -3.342 1.00 0.00 C ATOM 1112 O TRP A 83 15.742 7.790 -2.937 1.00 0.00 O ATOM 1113 CB TRP A 83 12.901 7.961 -1.531 1.00 0.00 C ATOM 1114 CG TRP A 83 13.721 8.391 -0.350 1.00 0.00 C ATOM 1115 CD1 TRP A 83 14.792 7.738 0.192 1.00 0.00 C ATOM 1116 CD2 TRP A 83 13.532 9.571 0.438 1.00 0.00 C ATOM 1117 NE1 TRP A 83 15.281 8.444 1.264 1.00 0.00 N ATOM 1118 CE2 TRP A 83 14.525 9.571 1.437 1.00 0.00 C ATOM 1119 CE3 TRP A 83 12.625 10.628 0.392 1.00 0.00 C ATOM 1120 CZ2 TRP A 83 14.625 10.584 2.383 1.00 0.00 C ATOM 1121 CZ3 TRP A 83 12.725 11.634 1.332 1.00 0.00 C ATOM 1122 CH2 TRP A 83 13.723 11.609 2.315 1.00 0.00 C ATOM 0 H TRP A 83 11.758 7.715 -3.855 1.00 0.00 H new ATOM 0 HA TRP A 83 13.812 9.496 -2.718 1.00 0.00 H new ATOM 0 HB2 TRP A 83 11.877 8.311 -1.400 1.00 0.00 H new ATOM 0 HB3 TRP A 83 12.865 6.872 -1.562 1.00 0.00 H new ATOM 0 HD1 TRP A 83 15.195 6.804 -0.170 1.00 0.00 H new ATOM 0 HE1 TRP A 83 16.079 8.172 1.838 1.00 0.00 H new ATOM 0 HE3 TRP A 83 11.857 10.660 -0.366 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 15.389 10.562 3.146 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 12.022 12.454 1.309 1.00 0.00 H new ATOM 0 HH2 TRP A 83 13.781 12.414 3.032 1.00 0.00 H new ATOM 1133 N GLY A 84 14.276 6.655 -4.203 1.00 0.00 N ATOM 1134 CA GLY A 84 15.288 5.764 -4.727 1.00 0.00 C ATOM 1135 C GLY A 84 14.726 4.396 -5.048 1.00 0.00 C ATOM 1136 O GLY A 84 13.580 4.283 -5.488 1.00 0.00 O ATOM 0 H GLY A 84 13.333 6.483 -4.551 1.00 0.00 H new ATOM 0 HA2 GLY A 84 15.722 6.198 -5.627 1.00 0.00 H new ATOM 0 HA3 GLY A 84 16.094 5.664 -4.000 1.00 0.00 H new ATOM 1140 N THR A 85 15.521 3.362 -4.820 1.00 0.00 N ATOM 1141 CA THR A 85 15.097 1.994 -5.090 1.00 0.00 C ATOM 1142 C THR A 85 14.944 1.208 -3.789 1.00 0.00 C ATOM 1143 O THR A 85 15.726 1.382 -2.854 1.00 0.00 O ATOM 1144 CB THR A 85 16.106 1.271 -6.006 1.00 0.00 C ATOM 1145 OG1 THR A 85 16.716 2.217 -6.893 1.00 0.00 O ATOM 1146 CG2 THR A 85 15.424 0.184 -6.819 1.00 0.00 C ATOM 0 H THR A 85 16.467 3.443 -4.447 1.00 0.00 H new ATOM 0 HA THR A 85 14.133 2.045 -5.596 1.00 0.00 H new ATOM 0 HB THR A 85 16.866 0.807 -5.377 1.00 0.00 H new ATOM 0 HG1 THR A 85 17.358 1.756 -7.472 1.00 0.00 H new ATOM 0 HG21 THR A 85 16.159 -0.309 -7.456 1.00 0.00 H new ATOM 0 HG22 THR A 85 14.978 -0.548 -6.146 1.00 0.00 H new ATOM 0 HG23 THR A 85 14.646 0.628 -7.440 1.00 0.00 H new ATOM 1154 N VAL A 86 13.926 0.363 -3.725 1.00 0.00 N ATOM 1155 CA VAL A 86 13.675 -0.450 -2.545 1.00 0.00 C ATOM 1156 C VAL A 86 13.686 -1.926 -2.918 1.00 0.00 C ATOM 1157 O VAL A 86 13.011 -2.339 -3.867 1.00 0.00 O ATOM 1158 CB VAL A 86 12.323 -0.107 -1.884 1.00 0.00 C ATOM 1159 CG1 VAL A 86 12.259 -0.675 -0.476 1.00 0.00 C ATOM 1160 CG2 VAL A 86 12.090 1.392 -1.855 1.00 0.00 C ATOM 0 H VAL A 86 13.257 0.222 -4.482 1.00 0.00 H new ATOM 0 HA VAL A 86 14.469 -0.235 -1.829 1.00 0.00 H new ATOM 0 HB VAL A 86 11.534 -0.561 -2.484 1.00 0.00 H new ATOM 0 HG11 VAL A 86 11.299 -0.423 -0.025 1.00 0.00 H new ATOM 0 HG12 VAL A 86 12.368 -1.759 -0.516 1.00 0.00 H new ATOM 0 HG13 VAL A 86 13.064 -0.251 0.124 1.00 0.00 H new ATOM 0 HG21 VAL A 86 11.130 1.602 -1.384 1.00 0.00 H new ATOM 0 HG22 VAL A 86 12.886 1.873 -1.287 1.00 0.00 H new ATOM 0 HG23 VAL A 86 12.086 1.779 -2.874 1.00 0.00 H new ATOM 1170 N ASP A 87 14.461 -2.716 -2.194 1.00 0.00 N ATOM 1171 CA ASP A 87 14.544 -4.143 -2.463 1.00 0.00 C ATOM 1172 C ASP A 87 13.889 -4.944 -1.347 1.00 0.00 C ATOM 1173 O ASP A 87 14.116 -4.692 -0.163 1.00 0.00 O ATOM 1174 CB ASP A 87 15.997 -4.587 -2.643 1.00 0.00 C ATOM 1175 CG ASP A 87 16.105 -6.067 -2.946 1.00 0.00 C ATOM 1176 OD1 ASP A 87 15.805 -6.465 -4.091 1.00 0.00 O ATOM 1177 OD2 ASP A 87 16.481 -6.842 -2.043 1.00 0.00 O ATOM 0 H ASP A 87 15.040 -2.396 -1.418 1.00 0.00 H new ATOM 0 HA ASP A 87 14.007 -4.334 -3.392 1.00 0.00 H new ATOM 0 HB2 ASP A 87 16.452 -4.017 -3.453 1.00 0.00 H new ATOM 0 HB3 ASP A 87 16.560 -4.360 -1.738 1.00 0.00 H new ATOM 1182 N CYS A 88 13.084 -5.914 -1.737 1.00 0.00 N ATOM 1183 CA CYS A 88 12.381 -6.756 -0.790 1.00 0.00 C ATOM 1184 C CYS A 88 12.858 -8.205 -0.898 1.00 0.00 C ATOM 1185 O CYS A 88 12.209 -9.123 -0.401 1.00 0.00 O ATOM 1186 CB CYS A 88 10.875 -6.666 -1.048 1.00 0.00 C ATOM 1187 SG CYS A 88 9.852 -6.640 0.456 1.00 0.00 S ATOM 0 H CYS A 88 12.900 -6.139 -2.715 1.00 0.00 H new ATOM 0 HA CYS A 88 12.593 -6.408 0.221 1.00 0.00 H new ATOM 0 HB2 CYS A 88 10.672 -5.765 -1.626 1.00 0.00 H new ATOM 0 HB3 CYS A 88 10.573 -7.514 -1.663 1.00 0.00 H new ATOM 1192 N THR A 89 14.005 -8.410 -1.543 1.00 0.00 N ATOM 1193 CA THR A 89 14.555 -9.752 -1.707 1.00 0.00 C ATOM 1194 C THR A 89 15.263 -10.202 -0.431 1.00 0.00 C ATOM 1195 O THR A 89 15.382 -11.398 -0.152 1.00 0.00 O ATOM 1196 CB THR A 89 15.537 -9.821 -2.897 1.00 0.00 C ATOM 1197 OG1 THR A 89 15.075 -8.980 -3.965 1.00 0.00 O ATOM 1198 CG2 THR A 89 15.663 -11.250 -3.402 1.00 0.00 C ATOM 0 H THR A 89 14.568 -7.668 -1.958 1.00 0.00 H new ATOM 0 HA THR A 89 13.720 -10.422 -1.912 1.00 0.00 H new ATOM 0 HB THR A 89 16.513 -9.476 -2.556 1.00 0.00 H new ATOM 0 HG1 THR A 89 15.675 -8.211 -4.058 1.00 0.00 H new ATOM 0 HG21 THR A 89 16.359 -11.280 -4.240 1.00 0.00 H new ATOM 0 HG22 THR A 89 16.034 -11.888 -2.600 1.00 0.00 H new ATOM 0 HG23 THR A 89 14.687 -11.608 -3.728 1.00 0.00 H new ATOM 1206 N THR A 90 15.736 -9.234 0.339 1.00 0.00 N ATOM 1207 CA THR A 90 16.421 -9.515 1.592 1.00 0.00 C ATOM 1208 C THR A 90 15.766 -8.734 2.734 1.00 0.00 C ATOM 1209 O THR A 90 16.260 -8.702 3.862 1.00 0.00 O ATOM 1210 CB THR A 90 17.929 -9.171 1.494 1.00 0.00 C ATOM 1211 OG1 THR A 90 18.658 -9.802 2.554 1.00 0.00 O ATOM 1212 CG2 THR A 90 18.160 -7.665 1.537 1.00 0.00 C ATOM 0 H THR A 90 15.657 -8.242 0.117 1.00 0.00 H new ATOM 0 HA THR A 90 16.335 -10.582 1.797 1.00 0.00 H new ATOM 0 HB THR A 90 18.289 -9.546 0.536 1.00 0.00 H new ATOM 0 HG1 THR A 90 18.186 -9.666 3.402 1.00 0.00 H new ATOM 0 HG21 THR A 90 19.228 -7.459 1.466 1.00 0.00 H new ATOM 0 HG22 THR A 90 17.643 -7.194 0.701 1.00 0.00 H new ATOM 0 HG23 THR A 90 17.774 -7.264 2.475 1.00 0.00 H new ATOM 1220 N ALA A 91 14.621 -8.136 2.437 1.00 0.00 N ATOM 1221 CA ALA A 91 13.891 -7.352 3.418 1.00 0.00 C ATOM 1222 C ALA A 91 12.409 -7.710 3.399 1.00 0.00 C ATOM 1223 O ALA A 91 11.966 -8.502 2.565 1.00 0.00 O ATOM 1224 CB ALA A 91 14.087 -5.867 3.150 1.00 0.00 C ATOM 0 H ALA A 91 14.177 -8.180 1.520 1.00 0.00 H new ATOM 0 HA ALA A 91 14.282 -7.583 4.409 1.00 0.00 H new ATOM 0 HB1 ALA A 91 13.536 -5.288 3.891 1.00 0.00 H new ATOM 0 HB2 ALA A 91 15.147 -5.623 3.214 1.00 0.00 H new ATOM 0 HB3 ALA A 91 13.718 -5.625 2.153 1.00 0.00 H new ATOM 1230 N ALA A 92 11.648 -7.136 4.321 1.00 0.00 N ATOM 1231 CA ALA A 92 10.220 -7.395 4.399 1.00 0.00 C ATOM 1232 C ALA A 92 9.428 -6.138 4.065 1.00 0.00 C ATOM 1233 O ALA A 92 9.729 -5.050 4.564 1.00 0.00 O ATOM 1234 CB ALA A 92 9.856 -7.909 5.782 1.00 0.00 C ATOM 0 H ALA A 92 11.998 -6.487 5.026 1.00 0.00 H new ATOM 0 HA ALA A 92 9.964 -8.160 3.666 1.00 0.00 H new ATOM 0 HB1 ALA A 92 8.784 -8.100 5.829 1.00 0.00 H new ATOM 0 HB2 ALA A 92 10.398 -8.834 5.981 1.00 0.00 H new ATOM 0 HB3 ALA A 92 10.125 -7.163 6.530 1.00 0.00 H new ATOM 1240 N CYS A 93 8.420 -6.296 3.219 1.00 0.00 N ATOM 1241 CA CYS A 93 7.577 -5.183 2.801 1.00 0.00 C ATOM 1242 C CYS A 93 6.280 -5.156 3.605 1.00 0.00 C ATOM 1243 O CYS A 93 6.080 -5.977 4.499 1.00 0.00 O ATOM 1244 CB CYS A 93 7.260 -5.295 1.305 1.00 0.00 C ATOM 1245 SG CYS A 93 8.686 -4.998 0.211 1.00 0.00 S ATOM 0 H CYS A 93 8.164 -7.192 2.805 1.00 0.00 H new ATOM 0 HA CYS A 93 8.119 -4.255 2.985 1.00 0.00 H new ATOM 0 HB2 CYS A 93 6.864 -6.290 1.103 1.00 0.00 H new ATOM 0 HB3 CYS A 93 6.473 -4.582 1.058 1.00 0.00 H new ATOM 1250 N GLN A 94 5.409 -4.209 3.288 1.00 0.00 N ATOM 1251 CA GLN A 94 4.132 -4.068 3.970 1.00 0.00 C ATOM 1252 C GLN A 94 3.107 -3.419 3.045 1.00 0.00 C ATOM 1253 O GLN A 94 3.469 -2.779 2.057 1.00 0.00 O ATOM 1254 CB GLN A 94 4.298 -3.224 5.240 1.00 0.00 C ATOM 1255 CG GLN A 94 5.005 -1.898 5.005 1.00 0.00 C ATOM 1256 CD GLN A 94 6.316 -1.791 5.760 1.00 0.00 C ATOM 1257 OE1 GLN A 94 7.370 -2.197 5.268 1.00 0.00 O ATOM 1258 NE2 GLN A 94 6.262 -1.244 6.962 1.00 0.00 N ATOM 0 H GLN A 94 5.567 -3.519 2.553 1.00 0.00 H new ATOM 0 HA GLN A 94 3.777 -5.060 4.249 1.00 0.00 H new ATOM 0 HB2 GLN A 94 3.314 -3.030 5.668 1.00 0.00 H new ATOM 0 HB3 GLN A 94 4.859 -3.799 5.977 1.00 0.00 H new ATOM 0 HG2 GLN A 94 5.194 -1.776 3.938 1.00 0.00 H new ATOM 0 HG3 GLN A 94 4.348 -1.082 5.308 1.00 0.00 H new ATOM 0 HE21 GLN A 94 5.370 -0.920 7.335 1.00 0.00 H new ATOM 0 HE22 GLN A 94 7.113 -1.146 7.516 1.00 0.00 H new ATOM 1267 N VAL A 95 1.832 -3.599 3.355 1.00 0.00 N ATOM 1268 CA VAL A 95 0.765 -3.015 2.555 1.00 0.00 C ATOM 1269 C VAL A 95 0.475 -1.599 3.036 1.00 0.00 C ATOM 1270 O VAL A 95 0.006 -1.400 4.160 1.00 0.00 O ATOM 1271 CB VAL A 95 -0.532 -3.851 2.616 1.00 0.00 C ATOM 1272 CG1 VAL A 95 -1.530 -3.362 1.578 1.00 0.00 C ATOM 1273 CG2 VAL A 95 -0.230 -5.328 2.415 1.00 0.00 C ATOM 0 H VAL A 95 1.511 -4.145 4.155 1.00 0.00 H new ATOM 0 HA VAL A 95 1.105 -3.000 1.520 1.00 0.00 H new ATOM 0 HB VAL A 95 -0.974 -3.726 3.604 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -2.438 -3.962 1.635 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -1.773 -2.317 1.771 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -1.095 -3.456 0.583 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -1.158 -5.899 2.462 1.00 0.00 H new ATOM 0 HG22 VAL A 95 0.238 -5.475 1.441 1.00 0.00 H new ATOM 0 HG23 VAL A 95 0.447 -5.671 3.198 1.00 0.00 H new ATOM 1283 N GLY A 96 0.768 -0.622 2.189 1.00 0.00 N ATOM 1284 CA GLY A 96 0.542 0.760 2.547 1.00 0.00 C ATOM 1285 C GLY A 96 -0.798 1.263 2.067 1.00 0.00 C ATOM 1286 O GLY A 96 -1.008 1.456 0.870 1.00 0.00 O ATOM 0 H GLY A 96 1.159 -0.765 1.258 1.00 0.00 H new ATOM 0 HA2 GLY A 96 0.601 0.867 3.630 1.00 0.00 H new ATOM 0 HA3 GLY A 96 1.333 1.377 2.122 1.00 0.00 H new ATOM 1290 N LEU A 97 -1.707 1.461 3.006 1.00 0.00 N ATOM 1291 CA LEU A 97 -3.043 1.945 2.700 1.00 0.00 C ATOM 1292 C LEU A 97 -3.341 3.217 3.484 1.00 0.00 C ATOM 1293 O LEU A 97 -3.318 3.224 4.713 1.00 0.00 O ATOM 1294 CB LEU A 97 -4.095 0.871 3.015 1.00 0.00 C ATOM 1295 CG LEU A 97 -3.612 -0.308 3.871 1.00 0.00 C ATOM 1296 CD1 LEU A 97 -3.474 0.099 5.331 1.00 0.00 C ATOM 1297 CD2 LEU A 97 -4.567 -1.485 3.738 1.00 0.00 C ATOM 0 H LEU A 97 -1.541 1.292 3.998 1.00 0.00 H new ATOM 0 HA LEU A 97 -3.087 2.171 1.635 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -4.931 1.348 3.526 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -4.479 0.478 2.073 1.00 0.00 H new ATOM 0 HG LEU A 97 -2.629 -0.610 3.508 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -3.130 -0.754 5.916 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -2.752 0.911 5.416 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -4.441 0.432 5.709 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -4.211 -2.313 4.351 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -5.561 -1.187 4.073 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -4.614 -1.799 2.695 1.00 0.00 H new ATOM 1309 N SER A 98 -3.580 4.302 2.774 1.00 0.00 N ATOM 1310 CA SER A 98 -3.881 5.570 3.410 1.00 0.00 C ATOM 1311 C SER A 98 -4.805 6.394 2.530 1.00 0.00 C ATOM 1312 O SER A 98 -4.735 6.321 1.305 1.00 0.00 O ATOM 1313 CB SER A 98 -2.587 6.337 3.690 1.00 0.00 C ATOM 1314 OG SER A 98 -1.736 5.600 4.554 1.00 0.00 O ATOM 0 H SER A 98 -3.572 4.331 1.754 1.00 0.00 H new ATOM 0 HA SER A 98 -4.386 5.378 4.357 1.00 0.00 H new ATOM 0 HB2 SER A 98 -2.071 6.541 2.752 1.00 0.00 H new ATOM 0 HB3 SER A 98 -2.822 7.301 4.141 1.00 0.00 H new ATOM 0 HG SER A 98 -0.915 6.109 4.717 1.00 0.00 H new ATOM 1320 N ASP A 99 -5.684 7.156 3.162 1.00 0.00 N ATOM 1321 CA ASP A 99 -6.620 8.005 2.441 1.00 0.00 C ATOM 1322 C ASP A 99 -5.881 9.171 1.794 1.00 0.00 C ATOM 1323 O ASP A 99 -4.664 9.287 1.927 1.00 0.00 O ATOM 1324 CB ASP A 99 -7.703 8.529 3.391 1.00 0.00 C ATOM 1325 CG ASP A 99 -7.280 9.784 4.127 1.00 0.00 C ATOM 1326 OD1 ASP A 99 -6.407 9.698 5.018 1.00 0.00 O ATOM 1327 OD2 ASP A 99 -7.819 10.863 3.815 1.00 0.00 O ATOM 0 H ASP A 99 -5.769 7.204 4.177 1.00 0.00 H new ATOM 0 HA ASP A 99 -7.097 7.413 1.660 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -8.610 8.735 2.823 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -7.950 7.754 4.116 1.00 0.00 H new ATOM 1332 N ALA A 100 -6.626 10.032 1.106 1.00 0.00 N ATOM 1333 CA ALA A 100 -6.058 11.199 0.437 1.00 0.00 C ATOM 1334 C ALA A 100 -5.203 12.036 1.391 1.00 0.00 C ATOM 1335 O ALA A 100 -4.237 12.676 0.968 1.00 0.00 O ATOM 1336 CB ALA A 100 -7.168 12.047 -0.164 1.00 0.00 C ATOM 0 H ALA A 100 -7.636 9.941 0.997 1.00 0.00 H new ATOM 0 HA ALA A 100 -5.406 10.844 -0.361 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -6.734 12.915 -0.661 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -7.726 11.455 -0.889 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -7.840 12.380 0.627 1.00 0.00 H new ATOM 1342 N ALA A 101 -5.563 12.038 2.671 1.00 0.00 N ATOM 1343 CA ALA A 101 -4.814 12.784 3.674 1.00 0.00 C ATOM 1344 C ALA A 101 -3.593 11.991 4.128 1.00 0.00 C ATOM 1345 O ALA A 101 -2.463 12.478 4.060 1.00 0.00 O ATOM 1346 CB ALA A 101 -5.699 13.123 4.864 1.00 0.00 C ATOM 0 H ALA A 101 -6.369 11.531 3.037 1.00 0.00 H new ATOM 0 HA ALA A 101 -4.474 13.716 3.223 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -5.120 13.680 5.601 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -6.541 13.729 4.530 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -6.071 12.203 5.315 1.00 0.00 H new ATOM 1352 N GLY A 102 -3.821 10.771 4.594 1.00 0.00 N ATOM 1353 CA GLY A 102 -2.721 9.940 5.038 1.00 0.00 C ATOM 1354 C GLY A 102 -3.042 9.125 6.277 1.00 0.00 C ATOM 1355 O GLY A 102 -2.170 8.899 7.118 1.00 0.00 O ATOM 0 H GLY A 102 -4.744 10.344 4.672 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -2.438 9.264 4.231 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -1.857 10.573 5.242 1.00 0.00 H new ATOM 1359 N ASN A 103 -4.287 8.694 6.405 1.00 0.00 N ATOM 1360 CA ASN A 103 -4.697 7.893 7.549 1.00 0.00 C ATOM 1361 C ASN A 103 -5.648 6.790 7.099 1.00 0.00 C ATOM 1362 O ASN A 103 -5.949 6.674 5.910 1.00 0.00 O ATOM 1363 CB ASN A 103 -5.372 8.772 8.602 1.00 0.00 C ATOM 1364 CG ASN A 103 -5.005 8.371 10.019 1.00 0.00 C ATOM 1365 OD1 ASN A 103 -4.813 7.192 10.316 1.00 0.00 O ATOM 1366 ND2 ASN A 103 -4.897 9.353 10.902 1.00 0.00 N ATOM 0 H ASN A 103 -5.030 8.885 5.733 1.00 0.00 H new ATOM 0 HA ASN A 103 -3.811 7.439 7.993 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -5.089 9.812 8.438 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -6.454 8.713 8.480 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -4.646 9.145 11.869 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -5.064 10.317 10.615 1.00 0.00 H new ATOM 1373 N GLY A 104 -6.110 5.980 8.039 1.00 0.00 N ATOM 1374 CA GLY A 104 -7.020 4.906 7.707 1.00 0.00 C ATOM 1375 C GLY A 104 -6.725 3.651 8.503 1.00 0.00 C ATOM 1376 O GLY A 104 -6.574 3.718 9.721 1.00 0.00 O ATOM 0 H GLY A 104 -5.870 6.048 9.028 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -8.044 5.225 7.899 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -6.949 4.686 6.642 1.00 0.00 H new ATOM 1380 N PRO A 105 -6.640 2.486 7.844 1.00 0.00 N ATOM 1381 CA PRO A 105 -6.353 1.217 8.512 1.00 0.00 C ATOM 1382 C PRO A 105 -4.872 1.075 8.855 1.00 0.00 C ATOM 1383 O PRO A 105 -4.054 1.924 8.493 1.00 0.00 O ATOM 1384 CB PRO A 105 -6.767 0.151 7.484 1.00 0.00 C ATOM 1385 CG PRO A 105 -7.321 0.893 6.306 1.00 0.00 C ATOM 1386 CD PRO A 105 -6.816 2.304 6.403 1.00 0.00 C ATOM 0 HA PRO A 105 -6.884 1.131 9.460 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -5.913 -0.459 7.192 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -7.513 -0.524 7.903 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -7.000 0.431 5.373 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -8.411 0.871 6.314 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -5.880 2.437 5.861 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -7.528 3.018 5.989 1.00 0.00 H new ATOM 1394 N GLU A 106 -4.525 0.003 9.553 1.00 0.00 N ATOM 1395 CA GLU A 106 -3.143 -0.237 9.930 1.00 0.00 C ATOM 1396 C GLU A 106 -2.435 -1.042 8.848 1.00 0.00 C ATOM 1397 O GLU A 106 -3.043 -1.902 8.207 1.00 0.00 O ATOM 1398 CB GLU A 106 -3.071 -0.974 11.269 1.00 0.00 C ATOM 1399 CG GLU A 106 -1.758 -0.764 12.006 1.00 0.00 C ATOM 1400 CD GLU A 106 -1.738 -1.429 13.366 1.00 0.00 C ATOM 1401 OE1 GLU A 106 -2.697 -1.233 14.139 1.00 0.00 O ATOM 1402 OE2 GLU A 106 -0.755 -2.134 13.672 1.00 0.00 O ATOM 0 H GLU A 106 -5.181 -0.712 9.868 1.00 0.00 H new ATOM 0 HA GLU A 106 -2.642 0.725 10.038 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -3.892 -0.640 11.903 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -3.215 -2.041 11.096 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -0.940 -1.157 11.402 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -1.580 0.305 12.126 1.00 0.00 H new ATOM 1409 N GLY A 107 -1.159 -0.748 8.638 1.00 0.00 N ATOM 1410 CA GLY A 107 -0.390 -1.455 7.636 1.00 0.00 C ATOM 1411 C GLY A 107 -0.023 -2.853 8.086 1.00 0.00 C ATOM 1412 O GLY A 107 0.258 -3.079 9.266 1.00 0.00 O ATOM 0 H GLY A 107 -0.642 -0.030 9.146 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -0.964 -1.511 6.711 1.00 0.00 H new ATOM 0 HA3 GLY A 107 0.519 -0.895 7.414 1.00 0.00 H new ATOM 1416 N VAL A 108 -0.031 -3.791 7.153 1.00 0.00 N ATOM 1417 CA VAL A 108 0.307 -5.175 7.458 1.00 0.00 C ATOM 1418 C VAL A 108 1.579 -5.572 6.721 1.00 0.00 C ATOM 1419 O VAL A 108 1.686 -5.375 5.511 1.00 0.00 O ATOM 1420 CB VAL A 108 -0.840 -6.139 7.073 1.00 0.00 C ATOM 1421 CG1 VAL A 108 -0.487 -7.578 7.427 1.00 0.00 C ATOM 1422 CG2 VAL A 108 -2.141 -5.724 7.750 1.00 0.00 C ATOM 0 H VAL A 108 -0.268 -3.620 6.176 1.00 0.00 H new ATOM 0 HA VAL A 108 0.465 -5.250 8.534 1.00 0.00 H new ATOM 0 HB VAL A 108 -0.980 -6.082 5.993 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -1.311 -8.234 7.146 1.00 0.00 H new ATOM 0 HG12 VAL A 108 0.413 -7.875 6.889 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -0.311 -7.656 8.500 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -2.935 -6.415 7.466 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -2.011 -5.745 8.832 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -2.409 -4.715 7.436 1.00 0.00 H new ATOM 1432 N ALA A 109 2.540 -6.111 7.456 1.00 0.00 N ATOM 1433 CA ALA A 109 3.805 -6.533 6.876 1.00 0.00 C ATOM 1434 C ALA A 109 3.655 -7.877 6.170 1.00 0.00 C ATOM 1435 O ALA A 109 2.860 -8.721 6.583 1.00 0.00 O ATOM 1436 CB ALA A 109 4.882 -6.608 7.950 1.00 0.00 C ATOM 0 H ALA A 109 2.466 -6.267 8.461 1.00 0.00 H new ATOM 0 HA ALA A 109 4.107 -5.793 6.135 1.00 0.00 H new ATOM 0 HB1 ALA A 109 5.823 -6.925 7.500 1.00 0.00 H new ATOM 0 HB2 ALA A 109 5.010 -5.626 8.406 1.00 0.00 H new ATOM 0 HB3 ALA A 109 4.585 -7.326 8.714 1.00 0.00 H new ATOM 1442 N ILE A 110 4.417 -8.062 5.102 1.00 0.00 N ATOM 1443 CA ILE A 110 4.379 -9.295 4.329 1.00 0.00 C ATOM 1444 C ILE A 110 5.790 -9.797 4.051 1.00 0.00 C ATOM 1445 O ILE A 110 6.759 -9.043 4.151 1.00 0.00 O ATOM 1446 CB ILE A 110 3.641 -9.101 2.984 1.00 0.00 C ATOM 1447 CG1 ILE A 110 4.236 -7.925 2.203 1.00 0.00 C ATOM 1448 CG2 ILE A 110 2.152 -8.888 3.212 1.00 0.00 C ATOM 1449 CD1 ILE A 110 4.824 -8.323 0.869 1.00 0.00 C ATOM 0 H ILE A 110 5.075 -7.367 4.749 1.00 0.00 H new ATOM 0 HA ILE A 110 3.836 -10.029 4.924 1.00 0.00 H new ATOM 0 HB ILE A 110 3.772 -10.008 2.393 1.00 0.00 H new ATOM 0 HG12 ILE A 110 3.460 -7.177 2.040 1.00 0.00 H new ATOM 0 HG13 ILE A 110 5.011 -7.453 2.807 1.00 0.00 H new ATOM 0 HG21 ILE A 110 1.653 -8.754 2.253 1.00 0.00 H new ATOM 0 HG22 ILE A 110 1.734 -9.757 3.720 1.00 0.00 H new ATOM 0 HG23 ILE A 110 2.001 -8.001 3.827 1.00 0.00 H new ATOM 0 HD11 ILE A 110 5.227 -7.441 0.371 1.00 0.00 H new ATOM 0 HD12 ILE A 110 5.623 -9.048 1.025 1.00 0.00 H new ATOM 0 HD13 ILE A 110 4.047 -8.768 0.247 1.00 0.00 H new ATOM 1461 N SER A 111 5.905 -11.070 3.713 1.00 0.00 N ATOM 1462 CA SER A 111 7.195 -11.669 3.418 1.00 0.00 C ATOM 1463 C SER A 111 7.043 -12.771 2.375 1.00 0.00 C ATOM 1464 O SER A 111 6.030 -13.471 2.347 1.00 0.00 O ATOM 1465 CB SER A 111 7.827 -12.232 4.692 1.00 0.00 C ATOM 1466 OG SER A 111 8.085 -11.197 5.628 1.00 0.00 O ATOM 0 H SER A 111 5.116 -11.712 3.636 1.00 0.00 H new ATOM 0 HA SER A 111 7.850 -10.896 3.017 1.00 0.00 H new ATOM 0 HB2 SER A 111 7.162 -12.972 5.136 1.00 0.00 H new ATOM 0 HB3 SER A 111 8.756 -12.745 4.446 1.00 0.00 H new ATOM 0 HG SER A 111 8.487 -11.579 6.436 1.00 0.00 H new ATOM 1472 N PHE A 112 8.046 -12.913 1.522 1.00 0.00 N ATOM 1473 CA PHE A 112 8.026 -13.923 0.472 1.00 0.00 C ATOM 1474 C PHE A 112 8.519 -15.259 1.018 1.00 0.00 C ATOM 1475 O PHE A 112 9.018 -15.331 2.140 1.00 0.00 O ATOM 1476 CB PHE A 112 8.904 -13.490 -0.706 1.00 0.00 C ATOM 1477 CG PHE A 112 8.670 -12.070 -1.156 1.00 0.00 C ATOM 1478 CD1 PHE A 112 9.334 -11.018 -0.546 1.00 0.00 C ATOM 1479 CD2 PHE A 112 7.790 -11.787 -2.189 1.00 0.00 C ATOM 1480 CE1 PHE A 112 9.122 -9.716 -0.955 1.00 0.00 C ATOM 1481 CE2 PHE A 112 7.576 -10.485 -2.600 1.00 0.00 C ATOM 1482 CZ PHE A 112 8.243 -9.449 -1.981 1.00 0.00 C ATOM 0 H PHE A 112 8.889 -12.339 1.536 1.00 0.00 H new ATOM 0 HA PHE A 112 7.000 -14.036 0.123 1.00 0.00 H new ATOM 0 HB2 PHE A 112 9.951 -13.604 -0.426 1.00 0.00 H new ATOM 0 HB3 PHE A 112 8.724 -14.161 -1.546 1.00 0.00 H new ATOM 0 HD1 PHE A 112 10.026 -11.219 0.259 1.00 0.00 H new ATOM 0 HD2 PHE A 112 7.265 -12.594 -2.679 1.00 0.00 H new ATOM 0 HE1 PHE A 112 9.646 -8.906 -0.470 1.00 0.00 H new ATOM 0 HE2 PHE A 112 6.887 -10.279 -3.406 1.00 0.00 H new ATOM 0 HZ PHE A 112 8.077 -8.431 -2.300 1.00 0.00 H new ATOM 1492 N ASN A 113 8.387 -16.310 0.228 1.00 0.00 N ATOM 1493 CA ASN A 113 8.830 -17.629 0.652 1.00 0.00 C ATOM 1494 C ASN A 113 10.280 -17.847 0.253 1.00 0.00 C ATOM 1495 O ASN A 113 10.965 -18.653 0.910 1.00 0.00 O ATOM 1496 CB ASN A 113 7.943 -18.732 0.062 1.00 0.00 C ATOM 1497 CG ASN A 113 7.900 -18.719 -1.452 1.00 0.00 C ATOM 1498 OD1 ASN A 113 8.825 -19.181 -2.121 1.00 0.00 O ATOM 1499 ND2 ASN A 113 6.813 -18.212 -2.004 1.00 0.00 N ATOM 1500 OXT ASN A 113 10.738 -17.189 -0.705 1.00 0.00 O ATOM 0 H ASN A 113 7.979 -16.278 -0.706 1.00 0.00 H new ATOM 0 HA ASN A 113 8.748 -17.680 1.738 1.00 0.00 H new ATOM 0 HB2 ASN A 113 8.308 -19.702 0.400 1.00 0.00 H new ATOM 0 HB3 ASN A 113 6.930 -18.620 0.449 1.00 0.00 H new ATOM 0 HD21 ASN A 113 6.718 -18.194 -3.019 1.00 0.00 H new ATOM 0 HD22 ASN A 113 6.069 -17.839 -1.415 1.00 0.00 H new TER 1507 ASN A 113 HETATM 1508 O1 FLN A 114 4.749 5.849 4.243 1.00 20.00 O HETATM 1509 C8A FLN A 114 5.311 7.049 3.831 1.00 20.00 C HETATM 1510 C4A FLN A 114 5.431 7.386 2.471 1.00 20.00 C HETATM 1511 C4 FLN A 114 4.941 6.417 1.449 1.00 20.00 C HETATM 1512 C3 FLN A 114 4.362 5.174 1.960 1.00 20.00 C HETATM 1513 C2 FLN A 114 4.287 4.938 3.297 1.00 20.00 C HETATM 1514 C1' FLN A 114 3.741 3.760 4.053 1.00 20.00 C HETATM 1515 C2' FLN A 114 4.537 2.642 4.302 1.00 20.00 C HETATM 1516 C3' FLN A 114 4.012 1.563 5.011 1.00 20.00 C HETATM 1517 C4' FLN A 114 2.692 1.537 5.492 1.00 20.00 C HETATM 1518 C5' FLN A 114 1.931 2.681 5.220 1.00 20.00 C HETATM 1519 C6' FLN A 114 2.429 3.772 4.518 1.00 20.00 C HETATM 1520 O4 FLN A 114 5.024 6.661 0.241 1.00 20.00 O HETATM 1521 C5 FLN A 114 6.015 8.627 2.119 1.00 20.00 C HETATM 1522 C6 FLN A 114 6.459 9.499 3.127 1.00 20.00 C HETATM 1523 C7 FLN A 114 6.322 9.126 4.480 1.00 20.00 C HETATM 1524 C8 FLN A 114 5.747 7.907 4.835 1.00 20.00 C HETATM 0 H8 FLN A 114 5.641 7.630 5.884 1.00 20.00 H new HETATM 0 H7 FLN A 114 6.671 9.802 5.261 1.00 20.00 H new HETATM 0 H6' FLN A 114 1.792 4.637 4.332 1.00 20.00 H new HETATM 0 H6 FLN A 114 6.907 10.458 2.865 1.00 20.00 H new HETATM 0 H5' FLN A 114 0.901 2.717 5.575 1.00 20.00 H new HETATM 0 H5 FLN A 114 6.120 8.905 1.070 1.00 20.00 H new HETATM 0 H4' FLN A 114 2.288 0.685 6.039 1.00 20.00 H new HETATM 0 H3' FLN A 114 4.653 0.702 5.201 1.00 20.00 H new HETATM 0 H3 FLN A 114 3.986 4.428 1.260 1.00 20.00 H new HETATM 0 H2' FLN A 114 5.566 2.612 3.943 1.00 20.00 H new