USER MOD reduce.3.24.130724 H: found=0, std=0, add=863, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 859 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 101 GLN : amide:sc= 0.125 K(o=0.22,f=-0.37) USER MOD Set 1.2: A 103 ASN : amide:sc= 0.132 K(o=0.22,f=-0.37) USER MOD Set 1.3: A 105 HIS : no HD1:sc= -0.0354 K(o=0.22,f=-1.7) USER MOD Set 2.1: A 92 TYR OH : rot 166:sc= 1.17 USER MOD Set 2.2: A 107 HIS : no HE2:sc= 0.987 K(o=3,f=-2.6!) USER MOD Set 2.3: A 111 SER OG : rot 45:sc= 0.888 USER MOD Set 3.1: A 46 LYS NZ :NH3+ -178:sc= 3.44 (180deg=2.24) USER MOD Set 3.2: A 68 ASN : amide:sc= 2.16 K(o=5.6,f=-7.9!) USER MOD Set 4.1: A 27 THR OG1 : rot -119:sc= 1.78 USER MOD Set 4.2: A 29 HIS : no HE2:sc= 0.928 K(o=4.6,f=-0.49!) USER MOD Set 4.3: A 31 THR OG1 : rot 156:sc= 1.93 USER MOD Set 5.1: A 19 LYS NZ :NH3+ -155:sc= 2.23 (180deg=0.46) USER MOD Set 5.2: A 37 GLN : amide:sc= 0.942 K(o=3.2,f=-8.9!) USER MOD Set 6.1: A 15 SER OG : rot 180:sc= 0 USER MOD Set 6.2: A 100 GLN : amide:sc= 2.01 K(o=2,f=-3.8!) USER MOD Set 7.1: A 2 SER OG : rot 60:sc= 2.23 USER MOD Set 7.2: A 7 LYS NZ :NH3+ 148:sc= 3.46 (180deg=1.89) USER MOD Single : A 1 ILE N :NH3+ -171:sc= 1.51 (180deg=1.2) USER MOD Single : A 5 GLN : amide:sc= 1.05 K(o=1,f=-8.2!) USER MOD Single : A 9 THR OG1 : rot 58:sc= 0.482 USER MOD Single : A 10 THR OG1 : rot 145:sc= 0.794 USER MOD Single : A 11 TYR OH : rot -170:sc= 1.28 USER MOD Single : A 16 LYS NZ :NH3+ -174:sc= 1.31 (180deg=1.19) USER MOD Single : A 23 THR OG1 : rot 180:sc= -0.0853 USER MOD Single : A 38 TYR OH : rot -163:sc= 1.24 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0.0179 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot -143:sc= 0.741 USER MOD Single : A 51 SER OG : rot -161:sc= 1.19 USER MOD Single : A 54 SER OG : rot -8:sc= 1.09 USER MOD Single : A 56 ASN : amide:sc= -1.45 K(o=-1.4,f=-3.8!) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot -150:sc= 1.01 USER MOD Single : A 72 SER OG : rot 180:sc= 0.00023 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0.106 USER MOD Single : A 77 ASN : amide:sc= 0.337 K(o=0.34,f=-3.2!) USER MOD Single : A 79 LYS NZ :NH3+ 174:sc= 0.753 (180deg=0.304) USER MOD Single : A 91 SER OG : rot 14:sc= 0.777 USER MOD Single : A 104 HIS : no HE2:sc= 1.01 K(o=1,f=-3.9!) USER MOD Single : A 108 LYS NZ :NH3+ -136:sc= 2.09 (180deg=-3.19!) USER MOD Single : A 109 SER OG : rot 43:sc= 1.15 USER MOD Single : A 112 SER OG : rot 119:sc= 0.936 USER MOD Single : A 115 LYS NZ :NH3+ -160:sc= 1.29 (180deg=1.15) USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 1 0.393 9.760 13.344 1.00 0.00 N ATOM 2 CA ILE A 1 -0.921 9.243 13.793 1.00 0.00 C ATOM 3 C ILE A 1 -1.137 7.829 13.250 1.00 0.00 C ATOM 4 O ILE A 1 -0.347 7.367 12.431 1.00 0.00 O ATOM 5 CB ILE A 1 -2.090 10.201 13.475 1.00 0.00 C ATOM 6 CG1 ILE A 1 -2.383 10.302 11.963 1.00 0.00 C ATOM 7 CG2 ILE A 1 -1.812 11.576 14.109 1.00 0.00 C ATOM 8 CD1 ILE A 1 -3.635 11.123 11.629 1.00 0.00 C ATOM 0 H1 ILE A 1 0.602 10.652 13.836 1.00 0.00 H new ATOM 0 H2 ILE A 1 1.133 9.063 13.562 1.00 0.00 H new ATOM 0 H3 ILE A 1 0.368 9.928 12.318 1.00 0.00 H new ATOM 0 HA ILE A 1 -0.907 9.186 14.881 1.00 0.00 H new ATOM 0 HB ILE A 1 -2.999 9.790 13.915 1.00 0.00 H new ATOM 0 HG12 ILE A 1 -1.523 10.749 11.465 1.00 0.00 H new ATOM 0 HG13 ILE A 1 -2.500 9.297 11.557 1.00 0.00 H new ATOM 0 HG21 ILE A 1 -2.636 12.253 13.885 1.00 0.00 H new ATOM 0 HG22 ILE A 1 -1.716 11.466 15.189 1.00 0.00 H new ATOM 0 HG23 ILE A 1 -0.887 11.984 13.702 1.00 0.00 H new ATOM 0 HD11 ILE A 1 -3.776 11.149 10.548 1.00 0.00 H new ATOM 0 HD12 ILE A 1 -4.506 10.665 12.097 1.00 0.00 H new ATOM 0 HD13 ILE A 1 -3.514 12.139 12.004 1.00 0.00 H new ATOM 22 N SER A 2 -2.180 7.130 13.709 1.00 0.00 N ATOM 23 CA SER A 2 -2.414 5.730 13.347 1.00 0.00 C ATOM 24 C SER A 2 -3.907 5.380 13.320 1.00 0.00 C ATOM 25 O SER A 2 -4.731 6.111 13.868 1.00 0.00 O ATOM 26 CB SER A 2 -1.669 4.842 14.354 1.00 0.00 C ATOM 27 OG SER A 2 -0.984 3.824 13.662 1.00 0.00 O ATOM 0 H SER A 2 -2.882 7.517 14.339 1.00 0.00 H new ATOM 0 HA SER A 2 -2.039 5.560 12.338 1.00 0.00 H new ATOM 0 HB2 SER A 2 -0.966 5.441 14.933 1.00 0.00 H new ATOM 0 HB3 SER A 2 -2.374 4.405 15.062 1.00 0.00 H new ATOM 0 HG SER A 2 -0.342 4.226 13.040 1.00 0.00 H new ATOM 33 N GLU A 3 -4.241 4.245 12.704 1.00 0.00 N ATOM 34 CA GLU A 3 -5.585 3.664 12.595 1.00 0.00 C ATOM 35 C GLU A 3 -5.580 2.161 12.944 1.00 0.00 C ATOM 36 O GLU A 3 -4.549 1.611 13.339 1.00 0.00 O ATOM 37 CB GLU A 3 -6.151 3.935 11.183 1.00 0.00 C ATOM 38 CG GLU A 3 -5.499 3.122 10.045 1.00 0.00 C ATOM 39 CD GLU A 3 -4.025 3.494 9.874 1.00 0.00 C ATOM 40 OE1 GLU A 3 -3.777 4.566 9.277 1.00 0.00 O ATOM 41 OE2 GLU A 3 -3.161 2.780 10.438 1.00 0.00 O ATOM 0 H GLU A 3 -3.539 3.670 12.239 1.00 0.00 H new ATOM 0 HA GLU A 3 -6.240 4.142 13.323 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -7.220 3.724 11.191 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -6.037 4.996 10.961 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -5.585 2.057 10.260 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -6.033 3.304 9.112 1.00 0.00 H new ATOM 48 N PHE A 4 -6.719 1.479 12.778 1.00 0.00 N ATOM 49 CA PHE A 4 -6.827 0.028 12.972 1.00 0.00 C ATOM 50 C PHE A 4 -6.898 -0.699 11.622 1.00 0.00 C ATOM 51 O PHE A 4 -6.064 -1.550 11.315 1.00 0.00 O ATOM 52 CB PHE A 4 -8.047 -0.273 13.858 1.00 0.00 C ATOM 53 CG PHE A 4 -7.908 0.233 15.283 1.00 0.00 C ATOM 54 CD1 PHE A 4 -7.246 -0.553 16.246 1.00 0.00 C ATOM 55 CD2 PHE A 4 -8.426 1.492 15.649 1.00 0.00 C ATOM 56 CE1 PHE A 4 -7.102 -0.085 17.565 1.00 0.00 C ATOM 57 CE2 PHE A 4 -8.279 1.961 16.966 1.00 0.00 C ATOM 58 CZ PHE A 4 -7.617 1.173 17.925 1.00 0.00 C ATOM 0 H PHE A 4 -7.597 1.920 12.504 1.00 0.00 H new ATOM 0 HA PHE A 4 -5.936 -0.343 13.478 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -8.932 0.177 13.407 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -8.212 -1.350 13.879 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -6.847 -1.518 15.971 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -8.937 2.098 14.916 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -6.596 -0.692 18.301 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -8.675 2.927 17.242 1.00 0.00 H new ATOM 0 HZ PHE A 4 -7.504 1.534 18.937 1.00 0.00 H new ATOM 68 N GLN A 5 -7.889 -0.329 10.807 1.00 0.00 N ATOM 69 CA GLN A 5 -8.304 -0.960 9.558 1.00 0.00 C ATOM 70 C GLN A 5 -7.155 -1.246 8.578 1.00 0.00 C ATOM 71 O GLN A 5 -7.007 -2.387 8.143 1.00 0.00 O ATOM 72 CB GLN A 5 -9.453 -0.152 8.915 1.00 0.00 C ATOM 73 CG GLN A 5 -9.248 1.370 8.730 1.00 0.00 C ATOM 74 CD GLN A 5 -9.664 2.216 9.942 1.00 0.00 C ATOM 75 OE1 GLN A 5 -9.164 2.062 11.051 1.00 0.00 O ATOM 76 NE2 GLN A 5 -10.577 3.151 9.774 1.00 0.00 N ATOM 0 H GLN A 5 -8.466 0.484 11.023 1.00 0.00 H new ATOM 0 HA GLN A 5 -8.676 -1.952 9.814 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -9.659 -0.584 7.936 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -10.346 -0.298 9.522 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -8.197 1.559 8.513 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -9.817 1.698 7.860 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -11.001 3.290 8.857 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -10.859 3.735 10.561 1.00 0.00 H new ATOM 85 N LEU A 6 -6.323 -0.248 8.245 1.00 0.00 N ATOM 86 CA LEU A 6 -5.276 -0.376 7.222 1.00 0.00 C ATOM 87 C LEU A 6 -4.260 -1.487 7.544 1.00 0.00 C ATOM 88 O LEU A 6 -3.759 -2.145 6.632 1.00 0.00 O ATOM 89 CB LEU A 6 -4.592 0.993 7.035 1.00 0.00 C ATOM 90 CG LEU A 6 -3.534 1.049 5.910 1.00 0.00 C ATOM 91 CD1 LEU A 6 -4.123 0.713 4.535 1.00 0.00 C ATOM 92 CD2 LEU A 6 -2.930 2.453 5.847 1.00 0.00 C ATOM 0 H LEU A 6 -6.358 0.674 8.680 1.00 0.00 H new ATOM 0 HA LEU A 6 -5.743 -0.679 6.285 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -5.359 1.740 6.829 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -4.116 1.275 7.974 1.00 0.00 H new ATOM 0 HG LEU A 6 -2.775 0.303 6.147 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -3.339 0.767 3.780 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -4.540 -0.294 4.554 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -4.910 1.427 4.292 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -2.184 2.493 5.054 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -3.717 3.179 5.642 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -2.458 2.689 6.801 1.00 0.00 H new ATOM 104 N LYS A 7 -4.002 -1.739 8.835 1.00 0.00 N ATOM 105 CA LYS A 7 -3.083 -2.777 9.326 1.00 0.00 C ATOM 106 C LYS A 7 -3.657 -4.200 9.250 1.00 0.00 C ATOM 107 O LYS A 7 -2.885 -5.153 9.395 1.00 0.00 O ATOM 108 CB LYS A 7 -2.689 -2.467 10.778 1.00 0.00 C ATOM 109 CG LYS A 7 -2.067 -1.073 10.943 1.00 0.00 C ATOM 110 CD LYS A 7 -1.601 -0.878 12.389 1.00 0.00 C ATOM 111 CE LYS A 7 -0.993 0.506 12.608 1.00 0.00 C ATOM 112 NZ LYS A 7 -2.000 1.581 12.488 1.00 0.00 N ATOM 0 H LYS A 7 -4.440 -1.211 9.590 1.00 0.00 H new ATOM 0 HA LYS A 7 -2.214 -2.755 8.668 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -3.572 -2.543 11.413 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -1.981 -3.219 11.126 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -1.224 -0.958 10.261 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -2.796 -0.306 10.680 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -2.445 -1.015 13.064 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -0.865 -1.642 12.640 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -0.535 0.548 13.596 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -0.198 0.672 11.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -1.749 2.364 13.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -2.024 1.926 11.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -2.936 1.210 12.748 1.00 0.00 H new ATOM 126 N GLY A 8 -4.973 -4.318 9.004 1.00 0.00 N ATOM 127 CA GLY A 8 -5.840 -5.502 8.973 1.00 0.00 C ATOM 128 C GLY A 8 -5.146 -6.855 8.797 1.00 0.00 C ATOM 129 O GLY A 8 -4.378 -7.052 7.850 1.00 0.00 O ATOM 0 H GLY A 8 -5.518 -3.481 8.797 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -6.411 -5.530 9.901 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -6.557 -5.378 8.161 1.00 0.00 H new ATOM 133 N THR A 9 -5.437 -7.785 9.714 1.00 0.00 N ATOM 134 CA THR A 9 -4.813 -9.107 9.836 1.00 0.00 C ATOM 135 C THR A 9 -5.271 -10.093 8.752 1.00 0.00 C ATOM 136 O THR A 9 -6.041 -11.012 9.026 1.00 0.00 O ATOM 137 CB THR A 9 -5.013 -9.691 11.246 1.00 0.00 C ATOM 138 OG1 THR A 9 -6.389 -9.851 11.493 1.00 0.00 O ATOM 139 CG2 THR A 9 -4.413 -8.802 12.339 1.00 0.00 C ATOM 0 H THR A 9 -6.150 -7.628 10.427 1.00 0.00 H new ATOM 0 HA THR A 9 -3.745 -8.956 9.677 1.00 0.00 H new ATOM 0 HB THR A 9 -4.496 -10.650 11.276 1.00 0.00 H new ATOM 0 HG1 THR A 9 -6.778 -10.435 10.809 1.00 0.00 H new ATOM 0 HG21 THR A 9 -4.582 -9.260 13.314 1.00 0.00 H new ATOM 0 HG22 THR A 9 -3.342 -8.691 12.171 1.00 0.00 H new ATOM 0 HG23 THR A 9 -4.888 -7.821 12.312 1.00 0.00 H new ATOM 147 N THR A 10 -4.771 -9.905 7.527 1.00 0.00 N ATOM 148 CA THR A 10 -4.917 -10.823 6.385 1.00 0.00 C ATOM 149 C THR A 10 -4.328 -12.211 6.658 1.00 0.00 C ATOM 150 O THR A 10 -4.979 -13.213 6.378 1.00 0.00 O ATOM 151 CB THR A 10 -4.245 -10.230 5.135 1.00 0.00 C ATOM 152 OG1 THR A 10 -2.953 -9.747 5.454 1.00 0.00 O ATOM 153 CG2 THR A 10 -5.050 -9.067 4.556 1.00 0.00 C ATOM 0 H THR A 10 -4.229 -9.074 7.290 1.00 0.00 H new ATOM 0 HA THR A 10 -5.988 -10.943 6.221 1.00 0.00 H new ATOM 0 HB THR A 10 -4.188 -11.031 4.398 1.00 0.00 H new ATOM 0 HG1 THR A 10 -2.352 -9.894 4.694 1.00 0.00 H new ATOM 0 HG21 THR A 10 -4.542 -8.676 3.674 1.00 0.00 H new ATOM 0 HG22 THR A 10 -6.044 -9.416 4.277 1.00 0.00 H new ATOM 0 HG23 THR A 10 -5.139 -8.278 5.303 1.00 0.00 H new ATOM 161 N TYR A 11 -3.116 -12.266 7.220 1.00 0.00 N ATOM 162 CA TYR A 11 -2.420 -13.477 7.670 1.00 0.00 C ATOM 163 C TYR A 11 -2.036 -13.364 9.164 1.00 0.00 C ATOM 164 O TYR A 11 -2.202 -12.307 9.779 1.00 0.00 O ATOM 165 CB TYR A 11 -1.165 -13.709 6.804 1.00 0.00 C ATOM 166 CG TYR A 11 -1.304 -13.969 5.306 1.00 0.00 C ATOM 167 CD1 TYR A 11 -2.467 -14.506 4.711 1.00 0.00 C ATOM 168 CD2 TYR A 11 -0.176 -13.735 4.498 1.00 0.00 C ATOM 169 CE1 TYR A 11 -2.501 -14.767 3.322 1.00 0.00 C ATOM 170 CE2 TYR A 11 -0.193 -14.030 3.127 1.00 0.00 C ATOM 171 CZ TYR A 11 -1.360 -14.530 2.523 1.00 0.00 C ATOM 172 OH TYR A 11 -1.370 -14.776 1.182 1.00 0.00 O ATOM 0 H TYR A 11 -2.565 -11.423 7.382 1.00 0.00 H new ATOM 0 HA TYR A 11 -3.090 -14.330 7.559 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -0.524 -12.835 6.922 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -0.630 -14.557 7.231 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -3.334 -14.718 5.320 1.00 0.00 H new ATOM 0 HD2 TYR A 11 0.718 -13.321 4.941 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -3.404 -15.150 2.869 1.00 0.00 H new ATOM 0 HE2 TYR A 11 0.695 -13.872 2.532 1.00 0.00 H new ATOM 0 HH TYR A 11 -0.458 -14.705 0.830 1.00 0.00 H new ATOM 182 N GLY A 12 -1.495 -14.445 9.745 1.00 0.00 N ATOM 183 CA GLY A 12 -1.030 -14.493 11.138 1.00 0.00 C ATOM 184 C GLY A 12 0.349 -13.847 11.335 1.00 0.00 C ATOM 185 O GLY A 12 1.189 -13.875 10.432 1.00 0.00 O ATOM 0 H GLY A 12 -1.366 -15.327 9.250 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -1.756 -13.987 11.775 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -0.988 -15.532 11.465 1.00 0.00 H new ATOM 189 N VAL A 13 0.586 -13.267 12.522 1.00 0.00 N ATOM 190 CA VAL A 13 1.770 -12.440 12.815 1.00 0.00 C ATOM 191 C VAL A 13 3.082 -13.245 12.853 1.00 0.00 C ATOM 192 O VAL A 13 3.372 -14.004 13.786 1.00 0.00 O ATOM 193 CB VAL A 13 1.549 -11.518 14.032 1.00 0.00 C ATOM 194 CG1 VAL A 13 1.395 -12.230 15.382 1.00 0.00 C ATOM 195 CG2 VAL A 13 2.671 -10.476 14.119 1.00 0.00 C ATOM 0 H VAL A 13 -0.047 -13.360 13.317 1.00 0.00 H new ATOM 0 HA VAL A 13 1.901 -11.769 11.966 1.00 0.00 H new ATOM 0 HB VAL A 13 0.586 -11.042 13.848 1.00 0.00 H new ATOM 0 HG11 VAL A 13 1.245 -11.490 16.168 1.00 0.00 H new ATOM 0 HG12 VAL A 13 0.536 -12.899 15.344 1.00 0.00 H new ATOM 0 HG13 VAL A 13 2.295 -12.807 15.594 1.00 0.00 H new ATOM 0 HG21 VAL A 13 2.503 -9.832 14.982 1.00 0.00 H new ATOM 0 HG22 VAL A 13 3.630 -10.982 14.225 1.00 0.00 H new ATOM 0 HG23 VAL A 13 2.678 -9.872 13.211 1.00 0.00 H new ATOM 205 N CYS A 14 3.868 -13.081 11.786 1.00 0.00 N ATOM 206 CA CYS A 14 5.105 -13.798 11.489 1.00 0.00 C ATOM 207 C CYS A 14 5.897 -13.024 10.419 1.00 0.00 C ATOM 208 O CYS A 14 5.315 -12.319 9.595 1.00 0.00 O ATOM 209 CB CYS A 14 4.741 -15.239 11.065 1.00 0.00 C ATOM 210 SG CYS A 14 5.679 -15.996 9.704 1.00 0.00 S ATOM 0 H CYS A 14 3.640 -12.400 11.062 1.00 0.00 H new ATOM 0 HA CYS A 14 5.753 -13.868 12.363 1.00 0.00 H new ATOM 0 HB2 CYS A 14 4.847 -15.880 11.940 1.00 0.00 H new ATOM 0 HB3 CYS A 14 3.687 -15.249 10.789 1.00 0.00 H new ATOM 215 N SER A 15 7.226 -13.154 10.421 1.00 0.00 N ATOM 216 CA SER A 15 8.094 -12.527 9.414 1.00 0.00 C ATOM 217 C SER A 15 9.299 -13.385 9.029 1.00 0.00 C ATOM 218 O SER A 15 9.665 -13.376 7.856 1.00 0.00 O ATOM 219 CB SER A 15 8.537 -11.142 9.888 1.00 0.00 C ATOM 220 OG SER A 15 9.196 -11.216 11.136 1.00 0.00 O ATOM 0 H SER A 15 7.733 -13.697 11.120 1.00 0.00 H new ATOM 0 HA SER A 15 7.499 -12.426 8.506 1.00 0.00 H new ATOM 0 HB2 SER A 15 9.202 -10.697 9.148 1.00 0.00 H new ATOM 0 HB3 SER A 15 7.669 -10.488 9.970 1.00 0.00 H new ATOM 0 HG SER A 15 9.470 -10.317 11.415 1.00 0.00 H new ATOM 226 N LYS A 16 9.861 -14.164 9.968 1.00 0.00 N ATOM 227 CA LYS A 16 10.888 -15.205 9.803 1.00 0.00 C ATOM 228 C LYS A 16 12.216 -14.709 9.224 1.00 0.00 C ATOM 229 O LYS A 16 13.236 -14.756 9.903 1.00 0.00 O ATOM 230 CB LYS A 16 10.311 -16.397 9.006 1.00 0.00 C ATOM 231 CG LYS A 16 11.291 -17.584 8.952 1.00 0.00 C ATOM 232 CD LYS A 16 10.996 -18.520 7.776 1.00 0.00 C ATOM 233 CE LYS A 16 12.085 -19.596 7.720 1.00 0.00 C ATOM 234 NZ LYS A 16 11.888 -20.487 6.560 1.00 0.00 N ATOM 0 H LYS A 16 9.584 -14.073 10.946 1.00 0.00 H new ATOM 0 HA LYS A 16 11.150 -15.539 10.807 1.00 0.00 H new ATOM 0 HB2 LYS A 16 9.376 -16.720 9.463 1.00 0.00 H new ATOM 0 HB3 LYS A 16 10.076 -16.075 7.992 1.00 0.00 H new ATOM 0 HG2 LYS A 16 12.311 -17.208 8.869 1.00 0.00 H new ATOM 0 HG3 LYS A 16 11.233 -18.145 9.885 1.00 0.00 H new ATOM 0 HD2 LYS A 16 10.015 -18.981 7.896 1.00 0.00 H new ATOM 0 HD3 LYS A 16 10.972 -17.958 6.842 1.00 0.00 H new ATOM 0 HE2 LYS A 16 13.065 -19.124 7.658 1.00 0.00 H new ATOM 0 HE3 LYS A 16 12.071 -20.181 8.639 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 12.576 -21.266 6.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 10.923 -20.875 6.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 12.026 -19.948 5.681 1.00 0.00 H new ATOM 248 N ALA A 17 12.212 -14.328 7.950 1.00 0.00 N ATOM 249 CA ALA A 17 13.386 -14.201 7.104 1.00 0.00 C ATOM 250 C ALA A 17 13.361 -12.864 6.355 1.00 0.00 C ATOM 251 O ALA A 17 13.157 -12.798 5.144 1.00 0.00 O ATOM 252 CB ALA A 17 13.457 -15.432 6.194 1.00 0.00 C ATOM 0 H ALA A 17 11.349 -14.089 7.461 1.00 0.00 H new ATOM 0 HA ALA A 17 14.303 -14.179 7.693 1.00 0.00 H new ATOM 0 HB1 ALA A 17 14.332 -15.358 5.549 1.00 0.00 H new ATOM 0 HB2 ALA A 17 13.531 -16.332 6.804 1.00 0.00 H new ATOM 0 HB3 ALA A 17 12.558 -15.483 5.580 1.00 0.00 H new ATOM 258 N PHE A 18 13.613 -11.788 7.103 1.00 0.00 N ATOM 259 CA PHE A 18 13.934 -10.466 6.575 1.00 0.00 C ATOM 260 C PHE A 18 15.354 -10.070 6.981 1.00 0.00 C ATOM 261 O PHE A 18 15.902 -10.566 7.966 1.00 0.00 O ATOM 262 CB PHE A 18 12.942 -9.419 7.106 1.00 0.00 C ATOM 263 CG PHE A 18 11.654 -9.284 6.325 1.00 0.00 C ATOM 264 CD1 PHE A 18 11.584 -8.410 5.223 1.00 0.00 C ATOM 265 CD2 PHE A 18 10.506 -9.979 6.738 1.00 0.00 C ATOM 266 CE1 PHE A 18 10.360 -8.200 4.564 1.00 0.00 C ATOM 267 CE2 PHE A 18 9.277 -9.758 6.091 1.00 0.00 C ATOM 268 CZ PHE A 18 9.202 -8.861 5.009 1.00 0.00 C ATOM 0 H PHE A 18 13.598 -11.816 8.123 1.00 0.00 H new ATOM 0 HA PHE A 18 13.863 -10.504 5.488 1.00 0.00 H new ATOM 0 HB2 PHE A 18 12.696 -9.669 8.138 1.00 0.00 H new ATOM 0 HB3 PHE A 18 13.439 -8.449 7.123 1.00 0.00 H new ATOM 0 HD1 PHE A 18 12.473 -7.900 4.883 1.00 0.00 H new ATOM 0 HD2 PHE A 18 10.567 -10.684 7.554 1.00 0.00 H new ATOM 0 HE1 PHE A 18 10.310 -7.532 3.717 1.00 0.00 H new ATOM 0 HE2 PHE A 18 8.390 -10.277 6.425 1.00 0.00 H new ATOM 0 HZ PHE A 18 8.256 -8.681 4.521 1.00 0.00 H new ATOM 278 N LYS A 19 15.905 -9.099 6.255 1.00 0.00 N ATOM 279 CA LYS A 19 17.097 -8.336 6.618 1.00 0.00 C ATOM 280 C LYS A 19 16.890 -6.878 6.182 1.00 0.00 C ATOM 281 O LYS A 19 16.307 -6.629 5.128 1.00 0.00 O ATOM 282 CB LYS A 19 18.312 -9.030 5.964 1.00 0.00 C ATOM 283 CG LYS A 19 19.512 -8.097 5.818 1.00 0.00 C ATOM 284 CD LYS A 19 20.745 -8.750 5.185 1.00 0.00 C ATOM 285 CE LYS A 19 21.815 -7.693 4.857 1.00 0.00 C ATOM 286 NZ LYS A 19 21.295 -6.623 3.968 1.00 0.00 N ATOM 0 H LYS A 19 15.515 -8.810 5.358 1.00 0.00 H new ATOM 0 HA LYS A 19 17.281 -8.311 7.692 1.00 0.00 H new ATOM 0 HB2 LYS A 19 18.599 -9.894 6.564 1.00 0.00 H new ATOM 0 HB3 LYS A 19 18.026 -9.405 4.981 1.00 0.00 H new ATOM 0 HG2 LYS A 19 19.219 -7.239 5.213 1.00 0.00 H new ATOM 0 HG3 LYS A 19 19.783 -7.715 6.802 1.00 0.00 H new ATOM 0 HD2 LYS A 19 21.159 -9.494 5.866 1.00 0.00 H new ATOM 0 HD3 LYS A 19 20.457 -9.277 4.275 1.00 0.00 H new ATOM 0 HE2 LYS A 19 22.179 -7.248 5.783 1.00 0.00 H new ATOM 0 HE3 LYS A 19 22.667 -8.177 4.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 22.083 -6.195 3.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 20.612 -7.030 3.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 20.825 -5.893 4.541 1.00 0.00 H new ATOM 300 N PHE A 20 17.391 -5.909 6.957 1.00 0.00 N ATOM 301 CA PHE A 20 17.425 -4.505 6.534 1.00 0.00 C ATOM 302 C PHE A 20 18.400 -4.280 5.364 1.00 0.00 C ATOM 303 O PHE A 20 19.450 -4.924 5.257 1.00 0.00 O ATOM 304 CB PHE A 20 17.771 -3.590 7.723 1.00 0.00 C ATOM 305 CG PHE A 20 16.565 -3.020 8.452 1.00 0.00 C ATOM 306 CD1 PHE A 20 15.835 -1.962 7.872 1.00 0.00 C ATOM 307 CD2 PHE A 20 16.202 -3.496 9.728 1.00 0.00 C ATOM 308 CE1 PHE A 20 14.759 -1.380 8.564 1.00 0.00 C ATOM 309 CE2 PHE A 20 15.123 -2.913 10.419 1.00 0.00 C ATOM 310 CZ PHE A 20 14.405 -1.851 9.840 1.00 0.00 C ATOM 0 H PHE A 20 17.780 -6.073 7.885 1.00 0.00 H new ATOM 0 HA PHE A 20 16.429 -4.246 6.175 1.00 0.00 H new ATOM 0 HB2 PHE A 20 18.377 -4.152 8.434 1.00 0.00 H new ATOM 0 HB3 PHE A 20 18.386 -2.765 7.363 1.00 0.00 H new ATOM 0 HD1 PHE A 20 16.104 -1.597 6.892 1.00 0.00 H new ATOM 0 HD2 PHE A 20 16.753 -4.310 10.176 1.00 0.00 H new ATOM 0 HE1 PHE A 20 14.204 -0.570 8.115 1.00 0.00 H new ATOM 0 HE2 PHE A 20 14.846 -3.282 11.396 1.00 0.00 H new ATOM 0 HZ PHE A 20 13.583 -1.398 10.375 1.00 0.00 H new ATOM 320 N LEU A 21 18.056 -3.321 4.501 1.00 0.00 N ATOM 321 CA LEU A 21 18.854 -2.908 3.345 1.00 0.00 C ATOM 322 C LEU A 21 19.154 -1.403 3.412 1.00 0.00 C ATOM 323 O LEU A 21 20.304 -1.000 3.253 1.00 0.00 O ATOM 324 CB LEU A 21 18.096 -3.304 2.060 1.00 0.00 C ATOM 325 CG LEU A 21 18.957 -3.612 0.816 1.00 0.00 C ATOM 326 CD1 LEU A 21 20.058 -2.592 0.507 1.00 0.00 C ATOM 327 CD2 LEU A 21 19.604 -4.989 0.933 1.00 0.00 C ATOM 0 H LEU A 21 17.187 -2.794 4.591 1.00 0.00 H new ATOM 0 HA LEU A 21 19.819 -3.414 3.344 1.00 0.00 H new ATOM 0 HB2 LEU A 21 17.489 -4.182 2.280 1.00 0.00 H new ATOM 0 HB3 LEU A 21 17.409 -2.496 1.807 1.00 0.00 H new ATOM 0 HG LEU A 21 18.247 -3.567 -0.010 1.00 0.00 H new ATOM 0 HD11 LEU A 21 20.602 -2.903 -0.385 1.00 0.00 H new ATOM 0 HD12 LEU A 21 19.610 -1.613 0.336 1.00 0.00 H new ATOM 0 HD13 LEU A 21 20.746 -2.533 1.350 1.00 0.00 H new ATOM 0 HD21 LEU A 21 20.206 -5.185 0.046 1.00 0.00 H new ATOM 0 HD22 LEU A 21 20.241 -5.018 1.817 1.00 0.00 H new ATOM 0 HD23 LEU A 21 18.828 -5.749 1.020 1.00 0.00 H new ATOM 339 N GLY A 22 18.134 -0.585 3.694 1.00 0.00 N ATOM 340 CA GLY A 22 18.206 0.871 3.709 1.00 0.00 C ATOM 341 C GLY A 22 17.553 1.443 4.961 1.00 0.00 C ATOM 342 O GLY A 22 16.329 1.382 5.101 1.00 0.00 O ATOM 0 H GLY A 22 17.205 -0.936 3.926 1.00 0.00 H new ATOM 0 HA2 GLY A 22 19.248 1.186 3.663 1.00 0.00 H new ATOM 0 HA3 GLY A 22 17.712 1.271 2.823 1.00 0.00 H new ATOM 346 N THR A 23 18.375 2.002 5.859 1.00 0.00 N ATOM 347 CA THR A 23 17.913 2.832 6.981 1.00 0.00 C ATOM 348 C THR A 23 17.106 4.038 6.462 1.00 0.00 C ATOM 349 O THR A 23 17.394 4.503 5.355 1.00 0.00 O ATOM 350 CB THR A 23 19.107 3.243 7.863 1.00 0.00 C ATOM 351 OG1 THR A 23 18.652 3.738 9.096 1.00 0.00 O ATOM 352 CG2 THR A 23 20.024 4.300 7.241 1.00 0.00 C ATOM 0 H THR A 23 19.388 1.890 5.827 1.00 0.00 H new ATOM 0 HA THR A 23 17.237 2.253 7.611 1.00 0.00 H new ATOM 0 HB THR A 23 19.694 2.332 7.981 1.00 0.00 H new ATOM 0 HG1 THR A 23 19.419 3.994 9.649 1.00 0.00 H new ATOM 0 HG21 THR A 23 20.836 4.528 7.931 1.00 0.00 H new ATOM 0 HG22 THR A 23 20.437 3.919 6.307 1.00 0.00 H new ATOM 0 HG23 THR A 23 19.452 5.206 7.042 1.00 0.00 H new ATOM 360 N PRO A 24 16.073 4.526 7.184 1.00 0.00 N ATOM 361 CA PRO A 24 15.109 5.448 6.594 1.00 0.00 C ATOM 362 C PRO A 24 15.688 6.778 6.094 1.00 0.00 C ATOM 363 O PRO A 24 16.673 7.293 6.628 1.00 0.00 O ATOM 364 CB PRO A 24 14.021 5.684 7.647 1.00 0.00 C ATOM 365 CG PRO A 24 14.225 4.613 8.714 1.00 0.00 C ATOM 366 CD PRO A 24 15.651 4.113 8.518 1.00 0.00 C ATOM 0 HA PRO A 24 14.720 4.987 5.686 1.00 0.00 H new ATOM 0 HB2 PRO A 24 14.104 6.682 8.076 1.00 0.00 H new ATOM 0 HB3 PRO A 24 13.028 5.609 7.205 1.00 0.00 H new ATOM 0 HG2 PRO A 24 14.087 5.024 9.714 1.00 0.00 H new ATOM 0 HG3 PRO A 24 13.505 3.802 8.600 1.00 0.00 H new ATOM 0 HD2 PRO A 24 16.313 4.530 9.277 1.00 0.00 H new ATOM 0 HD3 PRO A 24 15.696 3.028 8.617 1.00 0.00 H new ATOM 374 N ALA A 25 14.988 7.385 5.132 1.00 0.00 N ATOM 375 CA ALA A 25 15.190 8.756 4.671 1.00 0.00 C ATOM 376 C ALA A 25 13.836 9.448 4.448 1.00 0.00 C ATOM 377 O ALA A 25 12.884 8.815 3.991 1.00 0.00 O ATOM 378 CB ALA A 25 16.029 8.728 3.388 1.00 0.00 C ATOM 0 H ALA A 25 14.234 6.912 4.634 1.00 0.00 H new ATOM 0 HA ALA A 25 15.725 9.331 5.427 1.00 0.00 H new ATOM 0 HB1 ALA A 25 16.187 9.747 3.034 1.00 0.00 H new ATOM 0 HB2 ALA A 25 16.993 8.262 3.594 1.00 0.00 H new ATOM 0 HB3 ALA A 25 15.505 8.155 2.623 1.00 0.00 H new ATOM 384 N ASP A 26 13.737 10.741 4.773 1.00 0.00 N ATOM 385 CA ASP A 26 12.504 11.515 4.586 1.00 0.00 C ATOM 386 C ASP A 26 12.225 11.761 3.095 1.00 0.00 C ATOM 387 O ASP A 26 13.114 12.165 2.346 1.00 0.00 O ATOM 388 CB ASP A 26 12.573 12.840 5.362 1.00 0.00 C ATOM 389 CG ASP A 26 11.318 13.047 6.210 1.00 0.00 C ATOM 390 OD1 ASP A 26 11.195 12.360 7.250 1.00 0.00 O ATOM 391 OD2 ASP A 26 10.473 13.911 5.871 1.00 0.00 O ATOM 0 H ASP A 26 14.506 11.280 5.172 1.00 0.00 H new ATOM 0 HA ASP A 26 11.674 10.931 4.985 1.00 0.00 H new ATOM 0 HB2 ASP A 26 13.454 12.844 6.004 1.00 0.00 H new ATOM 0 HB3 ASP A 26 12.684 13.669 4.663 1.00 0.00 H new ATOM 396 N THR A 27 10.986 11.522 2.659 1.00 0.00 N ATOM 397 CA THR A 27 10.582 11.607 1.244 1.00 0.00 C ATOM 398 C THR A 27 10.370 13.028 0.729 1.00 0.00 C ATOM 399 O THR A 27 10.386 13.248 -0.480 1.00 0.00 O ATOM 400 CB THR A 27 9.241 10.894 1.040 1.00 0.00 C ATOM 401 OG1 THR A 27 8.308 11.420 1.958 1.00 0.00 O ATOM 402 CG2 THR A 27 9.366 9.391 1.231 1.00 0.00 C ATOM 0 H THR A 27 10.222 11.260 3.282 1.00 0.00 H new ATOM 0 HA THR A 27 11.408 11.151 0.698 1.00 0.00 H new ATOM 0 HB THR A 27 8.908 11.063 0.016 1.00 0.00 H new ATOM 0 HG1 THR A 27 7.992 10.705 2.549 1.00 0.00 H new ATOM 0 HG21 THR A 27 8.394 8.923 1.078 1.00 0.00 H new ATOM 0 HG22 THR A 27 10.079 8.991 0.510 1.00 0.00 H new ATOM 0 HG23 THR A 27 9.715 9.180 2.242 1.00 0.00 H new ATOM 410 N GLY A 28 10.073 13.976 1.623 1.00 0.00 N ATOM 411 CA GLY A 28 9.443 15.248 1.264 1.00 0.00 C ATOM 412 C GLY A 28 7.915 15.168 1.114 1.00 0.00 C ATOM 413 O GLY A 28 7.274 16.213 1.047 1.00 0.00 O ATOM 0 H GLY A 28 10.264 13.881 2.620 1.00 0.00 H new ATOM 0 HA2 GLY A 28 9.685 15.989 2.026 1.00 0.00 H new ATOM 0 HA3 GLY A 28 9.872 15.602 0.327 1.00 0.00 H new ATOM 417 N HIS A 29 7.305 13.970 1.147 1.00 0.00 N ATOM 418 CA HIS A 29 5.859 13.802 1.372 1.00 0.00 C ATOM 419 C HIS A 29 5.491 14.026 2.856 1.00 0.00 C ATOM 420 O HIS A 29 4.315 14.080 3.204 1.00 0.00 O ATOM 421 CB HIS A 29 5.379 12.384 0.978 1.00 0.00 C ATOM 422 CG HIS A 29 5.943 11.738 -0.270 1.00 0.00 C ATOM 423 ND1 HIS A 29 6.042 10.376 -0.480 1.00 0.00 N ATOM 424 CD2 HIS A 29 6.416 12.359 -1.396 1.00 0.00 C ATOM 425 CE1 HIS A 29 6.566 10.187 -1.701 1.00 0.00 C ATOM 426 NE2 HIS A 29 6.814 11.365 -2.295 1.00 0.00 N ATOM 0 H HIS A 29 7.803 13.089 1.018 1.00 0.00 H new ATOM 0 HA HIS A 29 5.368 14.546 0.745 1.00 0.00 H new ATOM 0 HB2 HIS A 29 5.591 11.720 1.816 1.00 0.00 H new ATOM 0 HB3 HIS A 29 4.295 12.422 0.868 1.00 0.00 H new ATOM 0 HD1 HIS A 29 5.766 9.645 0.176 1.00 0.00 H new ATOM 0 HD2 HIS A 29 6.471 13.425 -1.560 1.00 0.00 H new ATOM 0 HE1 HIS A 29 6.761 9.222 -2.144 1.00 0.00 H new ATOM 434 N GLY A 30 6.500 14.090 3.740 1.00 0.00 N ATOM 435 CA GLY A 30 6.391 14.057 5.201 1.00 0.00 C ATOM 436 C GLY A 30 6.654 12.664 5.794 1.00 0.00 C ATOM 437 O GLY A 30 6.871 12.542 7.001 1.00 0.00 O ATOM 0 H GLY A 30 7.469 14.171 3.432 1.00 0.00 H new ATOM 0 HA2 GLY A 30 7.099 14.767 5.628 1.00 0.00 H new ATOM 0 HA3 GLY A 30 5.394 14.387 5.492 1.00 0.00 H new ATOM 441 N THR A 31 6.659 11.631 4.946 1.00 0.00 N ATOM 442 CA THR A 31 6.923 10.221 5.250 1.00 0.00 C ATOM 443 C THR A 31 8.426 9.906 5.263 1.00 0.00 C ATOM 444 O THR A 31 9.247 10.703 4.805 1.00 0.00 O ATOM 445 CB THR A 31 6.230 9.335 4.197 1.00 0.00 C ATOM 446 OG1 THR A 31 6.722 9.663 2.922 1.00 0.00 O ATOM 447 CG2 THR A 31 4.717 9.544 4.184 1.00 0.00 C ATOM 0 H THR A 31 6.464 11.769 3.954 1.00 0.00 H new ATOM 0 HA THR A 31 6.529 10.016 6.246 1.00 0.00 H new ATOM 0 HB THR A 31 6.440 8.296 4.452 1.00 0.00 H new ATOM 0 HG1 THR A 31 6.607 8.898 2.320 1.00 0.00 H new ATOM 0 HG21 THR A 31 4.267 8.901 3.428 1.00 0.00 H new ATOM 0 HG22 THR A 31 4.307 9.295 5.163 1.00 0.00 H new ATOM 0 HG23 THR A 31 4.496 10.586 3.952 1.00 0.00 H new ATOM 455 N VAL A 32 8.783 8.702 5.727 1.00 0.00 N ATOM 456 CA VAL A 32 10.121 8.116 5.581 1.00 0.00 C ATOM 457 C VAL A 32 10.064 6.881 4.685 1.00 0.00 C ATOM 458 O VAL A 32 9.322 5.943 4.971 1.00 0.00 O ATOM 459 CB VAL A 32 10.791 7.763 6.927 1.00 0.00 C ATOM 460 CG1 VAL A 32 11.433 8.987 7.582 1.00 0.00 C ATOM 461 CG2 VAL A 32 9.880 7.058 7.945 1.00 0.00 C ATOM 0 H VAL A 32 8.134 8.094 6.226 1.00 0.00 H new ATOM 0 HA VAL A 32 10.741 8.884 5.119 1.00 0.00 H new ATOM 0 HB VAL A 32 11.559 7.041 6.650 1.00 0.00 H new ATOM 0 HG11 VAL A 32 11.893 8.695 8.526 1.00 0.00 H new ATOM 0 HG12 VAL A 32 12.195 9.397 6.919 1.00 0.00 H new ATOM 0 HG13 VAL A 32 10.670 9.742 7.769 1.00 0.00 H new ATOM 0 HG21 VAL A 32 10.443 6.853 8.856 1.00 0.00 H new ATOM 0 HG22 VAL A 32 9.031 7.700 8.180 1.00 0.00 H new ATOM 0 HG23 VAL A 32 9.519 6.120 7.522 1.00 0.00 H new ATOM 471 N VAL A 33 10.866 6.870 3.616 1.00 0.00 N ATOM 472 CA VAL A 33 11.190 5.659 2.850 1.00 0.00 C ATOM 473 C VAL A 33 12.265 4.862 3.592 1.00 0.00 C ATOM 474 O VAL A 33 13.310 5.423 3.920 1.00 0.00 O ATOM 475 CB VAL A 33 11.685 5.963 1.415 1.00 0.00 C ATOM 476 CG1 VAL A 33 10.521 5.978 0.422 1.00 0.00 C ATOM 477 CG2 VAL A 33 12.542 7.226 1.254 1.00 0.00 C ATOM 0 H VAL A 33 11.315 7.711 3.253 1.00 0.00 H new ATOM 0 HA VAL A 33 10.268 5.084 2.759 1.00 0.00 H new ATOM 0 HB VAL A 33 12.362 5.138 1.191 1.00 0.00 H new ATOM 0 HG11 VAL A 33 10.898 6.194 -0.578 1.00 0.00 H new ATOM 0 HG12 VAL A 33 10.030 5.005 0.422 1.00 0.00 H new ATOM 0 HG13 VAL A 33 9.804 6.746 0.713 1.00 0.00 H new ATOM 0 HG21 VAL A 33 12.831 7.339 0.209 1.00 0.00 H new ATOM 0 HG22 VAL A 33 11.968 8.098 1.567 1.00 0.00 H new ATOM 0 HG23 VAL A 33 13.436 7.140 1.871 1.00 0.00 H new ATOM 487 N LEU A 34 12.037 3.564 3.829 1.00 0.00 N ATOM 488 CA LEU A 34 13.053 2.612 4.294 1.00 0.00 C ATOM 489 C LEU A 34 12.941 1.262 3.579 1.00 0.00 C ATOM 490 O LEU A 34 11.898 0.937 3.008 1.00 0.00 O ATOM 491 CB LEU A 34 13.056 2.496 5.832 1.00 0.00 C ATOM 492 CG LEU A 34 11.929 1.768 6.588 1.00 0.00 C ATOM 493 CD1 LEU A 34 10.556 2.405 6.399 1.00 0.00 C ATOM 494 CD2 LEU A 34 11.834 0.266 6.317 1.00 0.00 C ATOM 0 H LEU A 34 11.120 3.137 3.700 1.00 0.00 H new ATOM 0 HA LEU A 34 14.031 3.007 4.020 1.00 0.00 H new ATOM 0 HB2 LEU A 34 13.990 2.008 6.111 1.00 0.00 H new ATOM 0 HB3 LEU A 34 13.097 3.512 6.226 1.00 0.00 H new ATOM 0 HG LEU A 34 12.232 1.889 7.628 1.00 0.00 H new ATOM 0 HD11 LEU A 34 9.812 1.839 6.960 1.00 0.00 H new ATOM 0 HD12 LEU A 34 10.579 3.433 6.761 1.00 0.00 H new ATOM 0 HD13 LEU A 34 10.294 2.399 5.341 1.00 0.00 H new ATOM 0 HD21 LEU A 34 11.011 -0.157 6.894 1.00 0.00 H new ATOM 0 HD22 LEU A 34 11.656 0.098 5.255 1.00 0.00 H new ATOM 0 HD23 LEU A 34 12.767 -0.216 6.609 1.00 0.00 H new ATOM 506 N GLU A 35 14.027 0.481 3.588 1.00 0.00 N ATOM 507 CA GLU A 35 14.178 -0.675 2.701 1.00 0.00 C ATOM 508 C GLU A 35 14.645 -1.930 3.445 1.00 0.00 C ATOM 509 O GLU A 35 15.606 -1.895 4.224 1.00 0.00 O ATOM 510 CB GLU A 35 15.153 -0.319 1.566 1.00 0.00 C ATOM 511 CG GLU A 35 15.024 -1.291 0.390 1.00 0.00 C ATOM 512 CD GLU A 35 16.071 -1.035 -0.686 1.00 0.00 C ATOM 513 OE1 GLU A 35 17.262 -1.297 -0.430 1.00 0.00 O ATOM 514 OE2 GLU A 35 15.707 -0.682 -1.834 1.00 0.00 O ATOM 0 H GLU A 35 14.822 0.633 4.208 1.00 0.00 H new ATOM 0 HA GLU A 35 13.198 -0.911 2.287 1.00 0.00 H new ATOM 0 HB2 GLU A 35 14.958 0.697 1.223 1.00 0.00 H new ATOM 0 HB3 GLU A 35 16.175 -0.337 1.944 1.00 0.00 H new ATOM 0 HG2 GLU A 35 15.122 -2.314 0.754 1.00 0.00 H new ATOM 0 HG3 GLU A 35 14.029 -1.202 -0.045 1.00 0.00 H new ATOM 521 N LEU A 36 14.000 -3.060 3.135 1.00 0.00 N ATOM 522 CA LEU A 36 14.394 -4.394 3.580 1.00 0.00 C ATOM 523 C LEU A 36 14.494 -5.351 2.385 1.00 0.00 C ATOM 524 O LEU A 36 14.015 -5.068 1.286 1.00 0.00 O ATOM 525 CB LEU A 36 13.404 -4.935 4.637 1.00 0.00 C ATOM 526 CG LEU A 36 13.369 -4.148 5.964 1.00 0.00 C ATOM 527 CD1 LEU A 36 12.202 -3.158 6.011 1.00 0.00 C ATOM 528 CD2 LEU A 36 13.229 -5.098 7.158 1.00 0.00 C ATOM 0 H LEU A 36 13.165 -3.068 2.550 1.00 0.00 H new ATOM 0 HA LEU A 36 15.377 -4.324 4.045 1.00 0.00 H new ATOM 0 HB2 LEU A 36 12.402 -4.937 4.207 1.00 0.00 H new ATOM 0 HB3 LEU A 36 13.659 -5.972 4.854 1.00 0.00 H new ATOM 0 HG LEU A 36 14.310 -3.601 6.021 1.00 0.00 H new ATOM 0 HD11 LEU A 36 12.215 -2.625 6.962 1.00 0.00 H new ATOM 0 HD12 LEU A 36 12.298 -2.443 5.193 1.00 0.00 H new ATOM 0 HD13 LEU A 36 11.261 -3.699 5.911 1.00 0.00 H new ATOM 0 HD21 LEU A 36 13.207 -4.520 8.082 1.00 0.00 H new ATOM 0 HD22 LEU A 36 12.304 -5.667 7.064 1.00 0.00 H new ATOM 0 HD23 LEU A 36 14.076 -5.783 7.179 1.00 0.00 H new ATOM 540 N GLN A 37 15.081 -6.522 2.631 1.00 0.00 N ATOM 541 CA GLN A 37 15.047 -7.673 1.740 1.00 0.00 C ATOM 542 C GLN A 37 14.480 -8.893 2.471 1.00 0.00 C ATOM 543 O GLN A 37 14.684 -9.048 3.678 1.00 0.00 O ATOM 544 CB GLN A 37 16.442 -7.933 1.142 1.00 0.00 C ATOM 545 CG GLN A 37 17.488 -8.354 2.193 1.00 0.00 C ATOM 546 CD GLN A 37 18.883 -8.563 1.614 1.00 0.00 C ATOM 547 OE1 GLN A 37 19.856 -7.969 2.065 1.00 0.00 O ATOM 548 NE2 GLN A 37 19.043 -9.427 0.630 1.00 0.00 N ATOM 0 H GLN A 37 15.610 -6.697 3.485 1.00 0.00 H new ATOM 0 HA GLN A 37 14.380 -7.464 0.904 1.00 0.00 H new ATOM 0 HB2 GLN A 37 16.365 -8.712 0.384 1.00 0.00 H new ATOM 0 HB3 GLN A 37 16.787 -7.031 0.637 1.00 0.00 H new ATOM 0 HG2 GLN A 37 17.537 -7.592 2.971 1.00 0.00 H new ATOM 0 HG3 GLN A 37 17.160 -9.277 2.671 1.00 0.00 H new ATOM 0 HE21 GLN A 37 18.237 -9.924 0.251 1.00 0.00 H new ATOM 0 HE22 GLN A 37 19.973 -9.598 0.248 1.00 0.00 H new ATOM 557 N TYR A 38 13.792 -9.765 1.731 1.00 0.00 N ATOM 558 CA TYR A 38 13.238 -11.016 2.242 1.00 0.00 C ATOM 559 C TYR A 38 14.187 -12.174 1.918 1.00 0.00 C ATOM 560 O TYR A 38 14.365 -12.546 0.760 1.00 0.00 O ATOM 561 CB TYR A 38 11.833 -11.230 1.677 1.00 0.00 C ATOM 562 CG TYR A 38 11.043 -12.283 2.426 1.00 0.00 C ATOM 563 CD1 TYR A 38 10.530 -11.967 3.696 1.00 0.00 C ATOM 564 CD2 TYR A 38 10.841 -13.570 1.891 1.00 0.00 C ATOM 565 CE1 TYR A 38 9.835 -12.932 4.445 1.00 0.00 C ATOM 566 CE2 TYR A 38 10.135 -14.539 2.629 1.00 0.00 C ATOM 567 CZ TYR A 38 9.641 -14.223 3.917 1.00 0.00 C ATOM 568 OH TYR A 38 8.981 -15.151 4.658 1.00 0.00 O ATOM 0 H TYR A 38 13.602 -9.616 0.740 1.00 0.00 H new ATOM 0 HA TYR A 38 13.145 -10.970 3.327 1.00 0.00 H new ATOM 0 HB2 TYR A 38 11.288 -10.286 1.708 1.00 0.00 H new ATOM 0 HB3 TYR A 38 11.910 -11.520 0.629 1.00 0.00 H new ATOM 0 HD1 TYR A 38 10.671 -10.975 4.099 1.00 0.00 H new ATOM 0 HD2 TYR A 38 11.228 -13.814 0.913 1.00 0.00 H new ATOM 0 HE1 TYR A 38 9.451 -12.684 5.423 1.00 0.00 H new ATOM 0 HE2 TYR A 38 9.971 -15.522 2.213 1.00 0.00 H new ATOM 0 HH TYR A 38 9.158 -16.044 4.296 1.00 0.00 H new ATOM 578 N THR A 39 14.847 -12.705 2.949 1.00 0.00 N ATOM 579 CA THR A 39 15.930 -13.694 2.867 1.00 0.00 C ATOM 580 C THR A 39 15.439 -15.149 2.839 1.00 0.00 C ATOM 581 O THR A 39 16.265 -16.056 2.762 1.00 0.00 O ATOM 582 CB THR A 39 16.923 -13.486 4.029 1.00 0.00 C ATOM 583 OG1 THR A 39 16.253 -13.407 5.268 1.00 0.00 O ATOM 584 CG2 THR A 39 17.709 -12.184 3.871 1.00 0.00 C ATOM 0 H THR A 39 14.632 -12.446 3.912 1.00 0.00 H new ATOM 0 HA THR A 39 16.429 -13.526 1.912 1.00 0.00 H new ATOM 0 HB THR A 39 17.595 -14.344 4.005 1.00 0.00 H new ATOM 0 HG1 THR A 39 16.907 -13.277 5.986 1.00 0.00 H new ATOM 0 HG21 THR A 39 18.398 -12.071 4.708 1.00 0.00 H new ATOM 0 HG22 THR A 39 18.272 -12.210 2.938 1.00 0.00 H new ATOM 0 HG23 THR A 39 17.018 -11.341 3.854 1.00 0.00 H new ATOM 592 N GLY A 40 14.121 -15.384 2.879 1.00 0.00 N ATOM 593 CA GLY A 40 13.508 -16.716 2.830 1.00 0.00 C ATOM 594 C GLY A 40 12.773 -17.007 1.519 1.00 0.00 C ATOM 595 O GLY A 40 12.580 -16.126 0.679 1.00 0.00 O ATOM 0 H GLY A 40 13.434 -14.633 2.948 1.00 0.00 H new ATOM 0 HA2 GLY A 40 14.283 -17.468 2.977 1.00 0.00 H new ATOM 0 HA3 GLY A 40 12.807 -16.814 3.659 1.00 0.00 H new ATOM 599 N THR A 41 12.322 -18.258 1.374 1.00 0.00 N ATOM 600 CA THR A 41 11.625 -18.799 0.186 1.00 0.00 C ATOM 601 C THR A 41 10.200 -19.268 0.531 1.00 0.00 C ATOM 602 O THR A 41 9.552 -19.968 -0.240 1.00 0.00 O ATOM 603 CB THR A 41 12.456 -19.915 -0.486 1.00 0.00 C ATOM 604 OG1 THR A 41 13.836 -19.621 -0.432 1.00 0.00 O ATOM 605 CG2 THR A 41 12.142 -20.084 -1.976 1.00 0.00 C ATOM 0 H THR A 41 12.434 -18.956 2.109 1.00 0.00 H new ATOM 0 HA THR A 41 11.523 -17.990 -0.538 1.00 0.00 H new ATOM 0 HB THR A 41 12.197 -20.819 0.065 1.00 0.00 H new ATOM 0 HG1 THR A 41 14.341 -20.342 -0.862 1.00 0.00 H new ATOM 0 HG21 THR A 41 12.758 -20.883 -2.389 1.00 0.00 H new ATOM 0 HG22 THR A 41 11.089 -20.337 -2.100 1.00 0.00 H new ATOM 0 HG23 THR A 41 12.355 -19.153 -2.501 1.00 0.00 H new ATOM 613 N ASP A 42 9.727 -18.908 1.726 1.00 0.00 N ATOM 614 CA ASP A 42 8.525 -19.402 2.386 1.00 0.00 C ATOM 615 C ASP A 42 7.899 -18.318 3.286 1.00 0.00 C ATOM 616 O ASP A 42 8.369 -17.182 3.327 1.00 0.00 O ATOM 617 CB ASP A 42 8.915 -20.652 3.195 1.00 0.00 C ATOM 618 CG ASP A 42 9.849 -20.348 4.373 1.00 0.00 C ATOM 619 OD1 ASP A 42 10.951 -19.771 4.176 1.00 0.00 O ATOM 620 OD2 ASP A 42 9.496 -20.730 5.512 1.00 0.00 O ATOM 0 H ASP A 42 10.211 -18.214 2.295 1.00 0.00 H new ATOM 0 HA ASP A 42 7.768 -19.661 1.646 1.00 0.00 H new ATOM 0 HB2 ASP A 42 8.010 -21.129 3.572 1.00 0.00 H new ATOM 0 HB3 ASP A 42 9.400 -21.368 2.532 1.00 0.00 H new ATOM 625 N GLY A 43 6.843 -18.671 4.026 1.00 0.00 N ATOM 626 CA GLY A 43 6.238 -17.826 5.059 1.00 0.00 C ATOM 627 C GLY A 43 5.240 -16.755 4.586 1.00 0.00 C ATOM 628 O GLY A 43 5.429 -15.595 4.948 1.00 0.00 O ATOM 0 H GLY A 43 6.376 -19.571 3.921 1.00 0.00 H new ATOM 0 HA2 GLY A 43 5.728 -18.474 5.771 1.00 0.00 H new ATOM 0 HA3 GLY A 43 7.041 -17.326 5.601 1.00 0.00 H new ATOM 632 N PRO A 44 4.147 -17.102 3.868 1.00 0.00 N ATOM 633 CA PRO A 44 2.921 -16.297 3.817 1.00 0.00 C ATOM 634 C PRO A 44 2.427 -15.893 5.223 1.00 0.00 C ATOM 635 O PRO A 44 1.766 -16.672 5.908 1.00 0.00 O ATOM 636 CB PRO A 44 1.891 -17.138 3.044 1.00 0.00 C ATOM 637 CG PRO A 44 2.755 -18.060 2.193 1.00 0.00 C ATOM 638 CD PRO A 44 3.968 -18.316 3.084 1.00 0.00 C ATOM 0 HA PRO A 44 3.097 -15.347 3.312 1.00 0.00 H new ATOM 0 HB2 PRO A 44 1.245 -17.701 3.718 1.00 0.00 H new ATOM 0 HB3 PRO A 44 1.243 -16.514 2.429 1.00 0.00 H new ATOM 0 HG2 PRO A 44 2.235 -18.985 1.945 1.00 0.00 H new ATOM 0 HG3 PRO A 44 3.038 -17.591 1.251 1.00 0.00 H new ATOM 0 HD2 PRO A 44 3.804 -19.178 3.730 1.00 0.00 H new ATOM 0 HD3 PRO A 44 4.854 -18.530 2.486 1.00 0.00 H new ATOM 646 N CYS A 45 2.789 -14.689 5.677 1.00 0.00 N ATOM 647 CA CYS A 45 2.606 -14.223 7.057 1.00 0.00 C ATOM 648 C CYS A 45 2.315 -12.715 7.142 1.00 0.00 C ATOM 649 O CYS A 45 2.495 -11.982 6.176 1.00 0.00 O ATOM 650 CB CYS A 45 3.886 -14.513 7.846 1.00 0.00 C ATOM 651 SG CYS A 45 4.246 -16.232 8.272 1.00 0.00 S ATOM 0 H CYS A 45 3.230 -13.991 5.078 1.00 0.00 H new ATOM 0 HA CYS A 45 1.746 -14.751 7.469 1.00 0.00 H new ATOM 0 HB2 CYS A 45 4.728 -14.128 7.271 1.00 0.00 H new ATOM 0 HB3 CYS A 45 3.845 -13.941 8.773 1.00 0.00 H new ATOM 656 N LYS A 46 1.912 -12.216 8.315 1.00 0.00 N ATOM 657 CA LYS A 46 1.771 -10.783 8.606 1.00 0.00 C ATOM 658 C LYS A 46 3.029 -10.249 9.293 1.00 0.00 C ATOM 659 O LYS A 46 3.207 -10.460 10.490 1.00 0.00 O ATOM 660 CB LYS A 46 0.487 -10.557 9.411 1.00 0.00 C ATOM 661 CG LYS A 46 0.344 -9.126 9.962 1.00 0.00 C ATOM 662 CD LYS A 46 -1.111 -8.656 9.893 1.00 0.00 C ATOM 663 CE LYS A 46 -1.512 -8.292 8.453 1.00 0.00 C ATOM 664 NZ LYS A 46 -1.118 -6.914 8.102 1.00 0.00 N ATOM 0 H LYS A 46 1.669 -12.810 9.108 1.00 0.00 H new ATOM 0 HA LYS A 46 1.675 -10.213 7.682 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -0.372 -10.780 8.778 1.00 0.00 H new ATOM 0 HB3 LYS A 46 0.462 -11.261 10.243 1.00 0.00 H new ATOM 0 HG2 LYS A 46 0.692 -9.093 10.994 1.00 0.00 H new ATOM 0 HG3 LYS A 46 0.977 -8.447 9.390 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -1.767 -9.441 10.268 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -1.247 -7.790 10.541 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -1.045 -8.991 7.759 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -2.590 -8.401 8.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -1.436 -6.697 7.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -1.556 -6.247 8.769 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -0.083 -6.825 8.153 1.00 0.00 H new ATOM 678 N VAL A 47 3.887 -9.566 8.523 1.00 0.00 N ATOM 679 CA VAL A 47 5.113 -8.917 9.008 1.00 0.00 C ATOM 680 C VAL A 47 4.792 -7.787 10.004 1.00 0.00 C ATOM 681 O VAL A 47 4.187 -6.787 9.622 1.00 0.00 O ATOM 682 CB VAL A 47 6.024 -8.435 7.855 1.00 0.00 C ATOM 683 CG1 VAL A 47 5.332 -7.597 6.768 1.00 0.00 C ATOM 684 CG2 VAL A 47 7.239 -7.654 8.380 1.00 0.00 C ATOM 0 H VAL A 47 3.744 -9.446 7.520 1.00 0.00 H new ATOM 0 HA VAL A 47 5.682 -9.675 9.546 1.00 0.00 H new ATOM 0 HB VAL A 47 6.336 -9.365 7.379 1.00 0.00 H new ATOM 0 HG11 VAL A 47 6.061 -7.312 6.009 1.00 0.00 H new ATOM 0 HG12 VAL A 47 4.538 -8.184 6.306 1.00 0.00 H new ATOM 0 HG13 VAL A 47 4.905 -6.700 7.217 1.00 0.00 H new ATOM 0 HG21 VAL A 47 7.855 -7.332 7.540 1.00 0.00 H new ATOM 0 HG22 VAL A 47 6.898 -6.781 8.936 1.00 0.00 H new ATOM 0 HG23 VAL A 47 7.827 -8.295 9.037 1.00 0.00 H new ATOM 694 N PRO A 48 5.194 -7.896 11.282 1.00 0.00 N ATOM 695 CA PRO A 48 5.042 -6.820 12.256 1.00 0.00 C ATOM 696 C PRO A 48 6.125 -5.742 12.069 1.00 0.00 C ATOM 697 O PRO A 48 7.185 -5.790 12.694 1.00 0.00 O ATOM 698 CB PRO A 48 5.126 -7.518 13.613 1.00 0.00 C ATOM 699 CG PRO A 48 6.114 -8.646 13.331 1.00 0.00 C ATOM 700 CD PRO A 48 5.807 -9.059 11.904 1.00 0.00 C ATOM 0 HA PRO A 48 4.101 -6.281 12.148 1.00 0.00 H new ATOM 0 HB2 PRO A 48 5.484 -6.848 14.395 1.00 0.00 H new ATOM 0 HB3 PRO A 48 4.157 -7.897 13.937 1.00 0.00 H new ATOM 0 HG2 PRO A 48 7.145 -8.308 13.435 1.00 0.00 H new ATOM 0 HG3 PRO A 48 5.979 -9.476 14.024 1.00 0.00 H new ATOM 0 HD2 PRO A 48 6.715 -9.352 11.377 1.00 0.00 H new ATOM 0 HD3 PRO A 48 5.134 -9.916 11.880 1.00 0.00 H new ATOM 708 N ILE A 49 5.850 -4.754 11.216 1.00 0.00 N ATOM 709 CA ILE A 49 6.607 -3.495 11.136 1.00 0.00 C ATOM 710 C ILE A 49 5.767 -2.354 11.737 1.00 0.00 C ATOM 711 O ILE A 49 4.543 -2.354 11.611 1.00 0.00 O ATOM 712 CB ILE A 49 7.113 -3.228 9.695 1.00 0.00 C ATOM 713 CG1 ILE A 49 7.874 -1.885 9.625 1.00 0.00 C ATOM 714 CG2 ILE A 49 5.978 -3.281 8.654 1.00 0.00 C ATOM 715 CD1 ILE A 49 8.731 -1.692 8.368 1.00 0.00 C ATOM 0 H ILE A 49 5.081 -4.803 10.547 1.00 0.00 H new ATOM 0 HA ILE A 49 7.515 -3.567 11.735 1.00 0.00 H new ATOM 0 HB ILE A 49 7.805 -4.031 9.442 1.00 0.00 H new ATOM 0 HG12 ILE A 49 7.151 -1.071 9.682 1.00 0.00 H new ATOM 0 HG13 ILE A 49 8.517 -1.803 10.501 1.00 0.00 H new ATOM 0 HG21 ILE A 49 6.385 -3.087 7.662 1.00 0.00 H new ATOM 0 HG22 ILE A 49 5.515 -4.268 8.670 1.00 0.00 H new ATOM 0 HG23 ILE A 49 5.230 -2.525 8.893 1.00 0.00 H new ATOM 0 HD11 ILE A 49 9.225 -0.721 8.410 1.00 0.00 H new ATOM 0 HD12 ILE A 49 9.482 -2.480 8.315 1.00 0.00 H new ATOM 0 HD13 ILE A 49 8.095 -1.737 7.484 1.00 0.00 H new ATOM 727 N SER A 50 6.425 -1.395 12.402 1.00 0.00 N ATOM 728 CA SER A 50 5.792 -0.315 13.166 1.00 0.00 C ATOM 729 C SER A 50 6.579 1.010 13.115 1.00 0.00 C ATOM 730 O SER A 50 7.734 1.053 12.686 1.00 0.00 O ATOM 731 CB SER A 50 5.643 -0.804 14.609 1.00 0.00 C ATOM 732 OG SER A 50 4.959 0.133 15.412 1.00 0.00 O ATOM 0 H SER A 50 7.444 -1.349 12.423 1.00 0.00 H new ATOM 0 HA SER A 50 4.823 -0.090 12.720 1.00 0.00 H new ATOM 0 HB2 SER A 50 5.105 -1.752 14.618 1.00 0.00 H new ATOM 0 HB3 SER A 50 6.629 -0.994 15.032 1.00 0.00 H new ATOM 0 HG SER A 50 5.346 0.137 16.312 1.00 0.00 H new ATOM 738 N SER A 51 5.936 2.094 13.575 1.00 0.00 N ATOM 739 CA SER A 51 6.433 3.476 13.626 1.00 0.00 C ATOM 740 C SER A 51 6.001 4.136 14.943 1.00 0.00 C ATOM 741 O SER A 51 4.804 4.368 15.155 1.00 0.00 O ATOM 742 CB SER A 51 5.893 4.280 12.433 1.00 0.00 C ATOM 743 OG SER A 51 6.480 5.567 12.424 1.00 0.00 O ATOM 0 H SER A 51 4.989 2.022 13.947 1.00 0.00 H new ATOM 0 HA SER A 51 7.522 3.462 13.574 1.00 0.00 H new ATOM 0 HB2 SER A 51 6.116 3.761 11.501 1.00 0.00 H new ATOM 0 HB3 SER A 51 4.808 4.364 12.499 1.00 0.00 H new ATOM 0 HG SER A 51 5.935 6.171 11.877 1.00 0.00 H new ATOM 749 N VAL A 52 6.951 4.412 15.850 1.00 0.00 N ATOM 750 CA VAL A 52 6.664 4.982 17.182 1.00 0.00 C ATOM 751 C VAL A 52 7.638 6.088 17.599 1.00 0.00 C ATOM 752 O VAL A 52 8.729 6.202 17.057 1.00 0.00 O ATOM 753 CB VAL A 52 6.592 3.886 18.262 1.00 0.00 C ATOM 754 CG1 VAL A 52 5.421 2.945 18.005 1.00 0.00 C ATOM 755 CG2 VAL A 52 7.880 3.070 18.410 1.00 0.00 C ATOM 0 H VAL A 52 7.944 4.247 15.683 1.00 0.00 H new ATOM 0 HA VAL A 52 5.684 5.451 17.093 1.00 0.00 H new ATOM 0 HB VAL A 52 6.447 4.419 19.202 1.00 0.00 H new ATOM 0 HG11 VAL A 52 5.392 2.180 18.781 1.00 0.00 H new ATOM 0 HG12 VAL A 52 4.490 3.511 18.018 1.00 0.00 H new ATOM 0 HG13 VAL A 52 5.543 2.470 17.032 1.00 0.00 H new ATOM 0 HG21 VAL A 52 7.748 2.320 19.190 1.00 0.00 H new ATOM 0 HG22 VAL A 52 8.108 2.576 17.466 1.00 0.00 H new ATOM 0 HG23 VAL A 52 8.702 3.733 18.680 1.00 0.00 H new ATOM 765 N ALA A 53 7.250 6.909 18.582 1.00 0.00 N ATOM 766 CA ALA A 53 7.979 8.126 18.950 1.00 0.00 C ATOM 767 C ALA A 53 8.936 7.955 20.145 1.00 0.00 C ATOM 768 O ALA A 53 9.695 8.867 20.466 1.00 0.00 O ATOM 769 CB ALA A 53 6.954 9.234 19.219 1.00 0.00 C ATOM 0 H ALA A 53 6.417 6.746 19.147 1.00 0.00 H new ATOM 0 HA ALA A 53 8.629 8.387 18.115 1.00 0.00 H new ATOM 0 HB1 ALA A 53 7.474 10.151 19.495 1.00 0.00 H new ATOM 0 HB2 ALA A 53 6.363 9.409 18.320 1.00 0.00 H new ATOM 0 HB3 ALA A 53 6.296 8.931 20.033 1.00 0.00 H new ATOM 775 N SER A 54 8.913 6.819 20.852 1.00 0.00 N ATOM 776 CA SER A 54 9.789 6.555 22.007 1.00 0.00 C ATOM 777 C SER A 54 9.996 5.052 22.251 1.00 0.00 C ATOM 778 O SER A 54 10.021 4.605 23.395 1.00 0.00 O ATOM 779 CB SER A 54 9.222 7.264 23.248 1.00 0.00 C ATOM 780 OG SER A 54 9.297 8.666 23.070 1.00 0.00 O ATOM 0 H SER A 54 8.281 6.048 20.639 1.00 0.00 H new ATOM 0 HA SER A 54 10.778 6.958 21.790 1.00 0.00 H new ATOM 0 HB2 SER A 54 8.187 6.963 23.410 1.00 0.00 H new ATOM 0 HB3 SER A 54 9.782 6.969 24.135 1.00 0.00 H new ATOM 0 HG SER A 54 9.808 8.866 22.258 1.00 0.00 H new ATOM 786 N LEU A 55 10.086 4.252 21.173 1.00 0.00 N ATOM 787 CA LEU A 55 10.187 2.777 21.183 1.00 0.00 C ATOM 788 C LEU A 55 9.002 2.055 21.875 1.00 0.00 C ATOM 789 O LEU A 55 9.006 0.837 22.037 1.00 0.00 O ATOM 790 CB LEU A 55 11.584 2.354 21.705 1.00 0.00 C ATOM 791 CG LEU A 55 12.456 1.699 20.616 1.00 0.00 C ATOM 792 CD1 LEU A 55 13.937 1.739 21.002 1.00 0.00 C ATOM 793 CD2 LEU A 55 12.052 0.242 20.373 1.00 0.00 C ATOM 0 H LEU A 55 10.091 4.632 20.226 1.00 0.00 H new ATOM 0 HA LEU A 55 10.096 2.433 20.153 1.00 0.00 H new ATOM 0 HB2 LEU A 55 12.100 3.230 22.099 1.00 0.00 H new ATOM 0 HB3 LEU A 55 11.461 1.657 22.534 1.00 0.00 H new ATOM 0 HG LEU A 55 12.299 2.271 19.702 1.00 0.00 H new ATOM 0 HD11 LEU A 55 14.530 1.271 20.217 1.00 0.00 H new ATOM 0 HD12 LEU A 55 14.253 2.775 21.126 1.00 0.00 H new ATOM 0 HD13 LEU A 55 14.084 1.200 21.938 1.00 0.00 H new ATOM 0 HD21 LEU A 55 12.688 -0.188 19.599 1.00 0.00 H new ATOM 0 HD22 LEU A 55 12.169 -0.327 21.296 1.00 0.00 H new ATOM 0 HD23 LEU A 55 11.011 0.202 20.051 1.00 0.00 H new ATOM 805 N ASN A 56 7.958 2.814 22.222 1.00 0.00 N ATOM 806 CA ASN A 56 6.728 2.486 22.941 1.00 0.00 C ATOM 807 C ASN A 56 5.756 1.552 22.176 1.00 0.00 C ATOM 808 O ASN A 56 4.543 1.771 22.188 1.00 0.00 O ATOM 809 CB ASN A 56 6.095 3.846 23.301 1.00 0.00 C ATOM 810 CG ASN A 56 5.729 4.672 22.070 1.00 0.00 C ATOM 811 OD1 ASN A 56 6.509 5.477 21.573 1.00 0.00 O ATOM 812 ND2 ASN A 56 4.556 4.440 21.526 1.00 0.00 N ATOM 0 H ASN A 56 7.959 3.802 21.970 1.00 0.00 H new ATOM 0 HA ASN A 56 6.959 1.893 23.826 1.00 0.00 H new ATOM 0 HB2 ASN A 56 5.200 3.678 23.900 1.00 0.00 H new ATOM 0 HB3 ASN A 56 6.790 4.413 23.920 1.00 0.00 H new ATOM 0 HD21 ASN A 56 4.281 4.933 20.676 1.00 0.00 H new ATOM 0 HD22 ASN A 56 3.920 3.767 21.953 1.00 0.00 H new ATOM 819 N ASP A 57 6.274 0.530 21.488 1.00 0.00 N ATOM 820 CA ASP A 57 5.616 -0.210 20.398 1.00 0.00 C ATOM 821 C ASP A 57 4.338 -1.000 20.751 1.00 0.00 C ATOM 822 O ASP A 57 3.707 -1.574 19.867 1.00 0.00 O ATOM 823 CB ASP A 57 6.667 -1.072 19.677 1.00 0.00 C ATOM 824 CG ASP A 57 6.319 -1.326 18.204 1.00 0.00 C ATOM 825 OD1 ASP A 57 5.751 -0.406 17.566 1.00 0.00 O ATOM 826 OD2 ASP A 57 6.693 -2.401 17.695 1.00 0.00 O ATOM 0 H ASP A 57 7.210 0.176 21.683 1.00 0.00 H new ATOM 0 HA ASP A 57 5.213 0.551 19.730 1.00 0.00 H new ATOM 0 HB2 ASP A 57 7.637 -0.579 19.737 1.00 0.00 H new ATOM 0 HB3 ASP A 57 6.763 -2.027 20.193 1.00 0.00 H new ATOM 831 N LEU A 58 3.889 -0.967 22.012 1.00 0.00 N ATOM 832 CA LEU A 58 2.510 -1.310 22.382 1.00 0.00 C ATOM 833 C LEU A 58 1.471 -0.304 21.836 1.00 0.00 C ATOM 834 O LEU A 58 0.294 -0.644 21.733 1.00 0.00 O ATOM 835 CB LEU A 58 2.426 -1.494 23.912 1.00 0.00 C ATOM 836 CG LEU A 58 2.460 -0.187 24.739 1.00 0.00 C ATOM 837 CD1 LEU A 58 1.054 0.230 25.181 1.00 0.00 C ATOM 838 CD2 LEU A 58 3.316 -0.353 25.998 1.00 0.00 C ATOM 0 H LEU A 58 4.472 -0.701 22.805 1.00 0.00 H new ATOM 0 HA LEU A 58 2.248 -2.254 21.905 1.00 0.00 H new ATOM 0 HB2 LEU A 58 1.506 -2.029 24.147 1.00 0.00 H new ATOM 0 HB3 LEU A 58 3.253 -2.128 24.231 1.00 0.00 H new ATOM 0 HG LEU A 58 2.888 0.578 24.092 1.00 0.00 H new ATOM 0 HD11 LEU A 58 1.113 1.152 25.760 1.00 0.00 H new ATOM 0 HD12 LEU A 58 0.430 0.393 24.302 1.00 0.00 H new ATOM 0 HD13 LEU A 58 0.617 -0.557 25.796 1.00 0.00 H new ATOM 0 HD21 LEU A 58 3.322 0.581 26.560 1.00 0.00 H new ATOM 0 HD22 LEU A 58 2.900 -1.147 26.618 1.00 0.00 H new ATOM 0 HD23 LEU A 58 4.336 -0.611 25.713 1.00 0.00 H new ATOM 850 N THR A 59 1.905 0.908 21.454 1.00 0.00 N ATOM 851 CA THR A 59 1.077 1.990 20.899 1.00 0.00 C ATOM 852 C THR A 59 1.694 2.499 19.586 1.00 0.00 C ATOM 853 O THR A 59 2.647 3.279 19.648 1.00 0.00 O ATOM 854 CB THR A 59 0.925 3.152 21.900 1.00 0.00 C ATOM 855 OG1 THR A 59 0.340 2.705 23.098 1.00 0.00 O ATOM 856 CG2 THR A 59 0.008 4.262 21.373 1.00 0.00 C ATOM 0 H THR A 59 2.888 1.172 21.527 1.00 0.00 H new ATOM 0 HA THR A 59 0.083 1.589 20.701 1.00 0.00 H new ATOM 0 HB THR A 59 1.933 3.535 22.056 1.00 0.00 H new ATOM 0 HG1 THR A 59 0.254 3.457 23.720 1.00 0.00 H new ATOM 0 HG21 THR A 59 -0.066 5.056 22.116 1.00 0.00 H new ATOM 0 HG22 THR A 59 0.420 4.666 20.449 1.00 0.00 H new ATOM 0 HG23 THR A 59 -0.984 3.853 21.179 1.00 0.00 H new ATOM 864 N PRO A 60 1.183 2.110 18.400 1.00 0.00 N ATOM 865 CA PRO A 60 1.659 2.631 17.117 1.00 0.00 C ATOM 866 C PRO A 60 1.321 4.127 16.989 1.00 0.00 C ATOM 867 O PRO A 60 0.151 4.509 17.026 1.00 0.00 O ATOM 868 CB PRO A 60 0.990 1.763 16.047 1.00 0.00 C ATOM 869 CG PRO A 60 -0.304 1.299 16.715 1.00 0.00 C ATOM 870 CD PRO A 60 0.080 1.180 18.190 1.00 0.00 C ATOM 0 HA PRO A 60 2.743 2.576 17.013 1.00 0.00 H new ATOM 0 HB2 PRO A 60 0.790 2.331 15.138 1.00 0.00 H new ATOM 0 HB3 PRO A 60 1.620 0.919 15.764 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -1.112 2.016 16.567 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -0.645 0.346 16.311 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -0.765 1.427 18.833 1.00 0.00 H new ATOM 0 HD3 PRO A 60 0.379 0.160 18.433 1.00 0.00 H new ATOM 878 N VAL A 61 2.346 4.984 16.878 1.00 0.00 N ATOM 879 CA VAL A 61 2.194 6.455 16.872 1.00 0.00 C ATOM 880 C VAL A 61 2.169 7.003 15.439 1.00 0.00 C ATOM 881 O VAL A 61 1.490 7.993 15.159 1.00 0.00 O ATOM 882 CB VAL A 61 3.303 7.148 17.697 1.00 0.00 C ATOM 883 CG1 VAL A 61 2.943 8.607 18.010 1.00 0.00 C ATOM 884 CG2 VAL A 61 3.586 6.462 19.042 1.00 0.00 C ATOM 0 H VAL A 61 3.315 4.678 16.789 1.00 0.00 H new ATOM 0 HA VAL A 61 1.237 6.680 17.344 1.00 0.00 H new ATOM 0 HB VAL A 61 4.190 7.084 17.066 1.00 0.00 H new ATOM 0 HG11 VAL A 61 3.745 9.063 18.591 1.00 0.00 H new ATOM 0 HG12 VAL A 61 2.812 9.157 17.078 1.00 0.00 H new ATOM 0 HG13 VAL A 61 2.017 8.638 18.583 1.00 0.00 H new ATOM 0 HG21 VAL A 61 4.374 7.002 19.567 1.00 0.00 H new ATOM 0 HG22 VAL A 61 2.680 6.463 19.648 1.00 0.00 H new ATOM 0 HG23 VAL A 61 3.904 5.434 18.866 1.00 0.00 H new ATOM 894 N GLY A 62 2.874 6.336 14.521 1.00 0.00 N ATOM 895 CA GLY A 62 2.779 6.496 13.073 1.00 0.00 C ATOM 896 C GLY A 62 2.014 5.336 12.428 1.00 0.00 C ATOM 897 O GLY A 62 1.324 4.568 13.104 1.00 0.00 O ATOM 0 H GLY A 62 3.563 5.632 14.786 1.00 0.00 H new ATOM 0 HA2 GLY A 62 2.278 7.436 12.842 1.00 0.00 H new ATOM 0 HA3 GLY A 62 3.780 6.555 12.646 1.00 0.00 H new ATOM 901 N ARG A 63 2.137 5.209 11.104 1.00 0.00 N ATOM 902 CA ARG A 63 1.503 4.170 10.280 1.00 0.00 C ATOM 903 C ARG A 63 2.451 3.645 9.198 1.00 0.00 C ATOM 904 O ARG A 63 3.496 4.237 8.923 1.00 0.00 O ATOM 905 CB ARG A 63 0.203 4.711 9.649 1.00 0.00 C ATOM 906 CG ARG A 63 0.453 5.955 8.777 1.00 0.00 C ATOM 907 CD ARG A 63 -0.679 6.277 7.802 1.00 0.00 C ATOM 908 NE ARG A 63 -1.969 6.371 8.491 1.00 0.00 N ATOM 909 CZ ARG A 63 -2.562 7.424 9.022 1.00 0.00 C ATOM 910 NH1 ARG A 63 -2.048 8.632 9.034 1.00 0.00 N ATOM 911 NH2 ARG A 63 -3.733 7.220 9.568 1.00 0.00 N ATOM 0 H ARG A 63 2.704 5.853 10.552 1.00 0.00 H new ATOM 0 HA ARG A 63 1.259 3.331 10.932 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -0.256 3.931 9.042 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -0.506 4.960 10.439 1.00 0.00 H new ATOM 0 HG2 ARG A 63 0.612 6.815 9.428 1.00 0.00 H new ATOM 0 HG3 ARG A 63 1.373 5.809 8.212 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -0.467 7.218 7.294 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -0.730 5.505 7.034 1.00 0.00 H new ATOM 0 HE ARG A 63 -2.484 5.494 8.572 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -1.134 8.801 8.615 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -2.563 9.401 9.463 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -4.140 6.285 9.568 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -4.239 7.996 9.994 1.00 0.00 H new ATOM 925 N LEU A 64 2.027 2.558 8.555 1.00 0.00 N ATOM 926 CA LEU A 64 2.630 1.972 7.363 1.00 0.00 C ATOM 927 C LEU A 64 1.904 2.579 6.154 1.00 0.00 C ATOM 928 O LEU A 64 0.691 2.414 6.031 1.00 0.00 O ATOM 929 CB LEU A 64 2.497 0.432 7.405 1.00 0.00 C ATOM 930 CG LEU A 64 2.963 -0.307 8.683 1.00 0.00 C ATOM 931 CD1 LEU A 64 4.282 0.223 9.244 1.00 0.00 C ATOM 932 CD2 LEU A 64 1.917 -0.334 9.806 1.00 0.00 C ATOM 0 H LEU A 64 1.209 2.036 8.870 1.00 0.00 H new ATOM 0 HA LEU A 64 3.696 2.190 7.301 1.00 0.00 H new ATOM 0 HB2 LEU A 64 1.449 0.184 7.240 1.00 0.00 H new ATOM 0 HB3 LEU A 64 3.057 0.026 6.563 1.00 0.00 H new ATOM 0 HG LEU A 64 3.114 -1.329 8.337 1.00 0.00 H new ATOM 0 HD11 LEU A 64 4.549 -0.340 10.139 1.00 0.00 H new ATOM 0 HD12 LEU A 64 5.067 0.110 8.496 1.00 0.00 H new ATOM 0 HD13 LEU A 64 4.172 1.277 9.498 1.00 0.00 H new ATOM 0 HD21 LEU A 64 2.320 -0.869 10.666 1.00 0.00 H new ATOM 0 HD22 LEU A 64 1.670 0.687 10.098 1.00 0.00 H new ATOM 0 HD23 LEU A 64 1.017 -0.839 9.453 1.00 0.00 H new ATOM 944 N VAL A 65 2.608 3.359 5.323 1.00 0.00 N ATOM 945 CA VAL A 65 1.976 4.200 4.293 1.00 0.00 C ATOM 946 C VAL A 65 1.758 3.420 2.997 1.00 0.00 C ATOM 947 O VAL A 65 0.648 3.426 2.474 1.00 0.00 O ATOM 948 CB VAL A 65 2.797 5.482 4.046 1.00 0.00 C ATOM 949 CG1 VAL A 65 2.259 6.326 2.881 1.00 0.00 C ATOM 950 CG2 VAL A 65 2.830 6.359 5.304 1.00 0.00 C ATOM 0 H VAL A 65 3.626 3.426 5.344 1.00 0.00 H new ATOM 0 HA VAL A 65 0.995 4.500 4.663 1.00 0.00 H new ATOM 0 HB VAL A 65 3.801 5.144 3.788 1.00 0.00 H new ATOM 0 HG11 VAL A 65 2.879 7.214 2.758 1.00 0.00 H new ATOM 0 HG12 VAL A 65 2.282 5.737 1.964 1.00 0.00 H new ATOM 0 HG13 VAL A 65 1.233 6.627 3.093 1.00 0.00 H new ATOM 0 HG21 VAL A 65 3.415 7.257 5.106 1.00 0.00 H new ATOM 0 HG22 VAL A 65 1.813 6.641 5.578 1.00 0.00 H new ATOM 0 HG23 VAL A 65 3.286 5.803 6.123 1.00 0.00 H new ATOM 960 N THR A 66 2.803 2.768 2.465 1.00 0.00 N ATOM 961 CA THR A 66 2.753 2.139 1.133 1.00 0.00 C ATOM 962 C THR A 66 1.690 1.043 1.013 1.00 0.00 C ATOM 963 O THR A 66 1.017 0.965 -0.013 1.00 0.00 O ATOM 964 CB THR A 66 4.128 1.563 0.753 1.00 0.00 C ATOM 965 OG1 THR A 66 5.077 2.598 0.722 1.00 0.00 O ATOM 966 CG2 THR A 66 4.178 0.908 -0.628 1.00 0.00 C ATOM 0 H THR A 66 3.700 2.661 2.940 1.00 0.00 H new ATOM 0 HA THR A 66 2.473 2.933 0.441 1.00 0.00 H new ATOM 0 HB THR A 66 4.334 0.803 1.507 1.00 0.00 H new ATOM 0 HG1 THR A 66 5.773 2.384 0.066 1.00 0.00 H new ATOM 0 HG21 THR A 66 5.183 0.529 -0.815 1.00 0.00 H new ATOM 0 HG22 THR A 66 3.466 0.083 -0.665 1.00 0.00 H new ATOM 0 HG23 THR A 66 3.920 1.644 -1.389 1.00 0.00 H new ATOM 974 N VAL A 67 1.579 0.159 2.012 1.00 0.00 N ATOM 975 CA VAL A 67 0.771 -1.065 1.925 1.00 0.00 C ATOM 976 C VAL A 67 0.432 -1.602 3.323 1.00 0.00 C ATOM 977 O VAL A 67 1.138 -1.320 4.291 1.00 0.00 O ATOM 978 CB VAL A 67 1.531 -2.102 1.055 1.00 0.00 C ATOM 979 CG1 VAL A 67 2.858 -2.573 1.674 1.00 0.00 C ATOM 980 CG2 VAL A 67 0.682 -3.321 0.675 1.00 0.00 C ATOM 0 H VAL A 67 2.050 0.273 2.909 1.00 0.00 H new ATOM 0 HA VAL A 67 -0.185 -0.849 1.447 1.00 0.00 H new ATOM 0 HB VAL A 67 1.761 -1.550 0.144 1.00 0.00 H new ATOM 0 HG11 VAL A 67 3.333 -3.296 1.011 1.00 0.00 H new ATOM 0 HG12 VAL A 67 3.519 -1.718 1.811 1.00 0.00 H new ATOM 0 HG13 VAL A 67 2.664 -3.040 2.640 1.00 0.00 H new ATOM 0 HG21 VAL A 67 1.277 -4.003 0.068 1.00 0.00 H new ATOM 0 HG22 VAL A 67 0.354 -3.832 1.580 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -0.189 -2.995 0.107 1.00 0.00 H new ATOM 990 N ASN A 68 -0.623 -2.425 3.418 1.00 0.00 N ATOM 991 CA ASN A 68 -0.880 -3.284 4.574 1.00 0.00 C ATOM 992 C ASN A 68 0.353 -4.179 4.822 1.00 0.00 C ATOM 993 O ASN A 68 0.809 -4.846 3.890 1.00 0.00 O ATOM 994 CB ASN A 68 -2.140 -4.122 4.295 1.00 0.00 C ATOM 995 CG ASN A 68 -2.465 -5.120 5.403 1.00 0.00 C ATOM 996 OD1 ASN A 68 -1.809 -6.135 5.580 1.00 0.00 O ATOM 997 ND2 ASN A 68 -3.477 -4.863 6.199 1.00 0.00 N ATOM 0 H ASN A 68 -1.327 -2.511 2.684 1.00 0.00 H new ATOM 0 HA ASN A 68 -1.052 -2.690 5.471 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -2.989 -3.452 4.159 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -2.007 -4.662 3.358 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -3.708 -5.508 6.955 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -4.032 -4.019 6.061 1.00 0.00 H new ATOM 1004 N PRO A 69 0.917 -4.213 6.042 1.00 0.00 N ATOM 1005 CA PRO A 69 2.140 -4.959 6.306 1.00 0.00 C ATOM 1006 C PRO A 69 1.859 -6.470 6.368 1.00 0.00 C ATOM 1007 O PRO A 69 1.546 -7.008 7.432 1.00 0.00 O ATOM 1008 CB PRO A 69 2.672 -4.362 7.611 1.00 0.00 C ATOM 1009 CG PRO A 69 1.409 -3.945 8.360 1.00 0.00 C ATOM 1010 CD PRO A 69 0.498 -3.475 7.226 1.00 0.00 C ATOM 0 HA PRO A 69 2.887 -4.870 5.518 1.00 0.00 H new ATOM 0 HB2 PRO A 69 3.251 -5.091 8.178 1.00 0.00 H new ATOM 0 HB3 PRO A 69 3.326 -3.510 7.424 1.00 0.00 H new ATOM 0 HG2 PRO A 69 0.972 -4.775 8.915 1.00 0.00 H new ATOM 0 HG3 PRO A 69 1.606 -3.150 9.079 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -0.548 -3.673 7.459 1.00 0.00 H new ATOM 0 HD3 PRO A 69 0.592 -2.400 7.070 1.00 0.00 H new ATOM 1018 N PHE A 70 1.937 -7.163 5.224 1.00 0.00 N ATOM 1019 CA PHE A 70 1.941 -8.627 5.160 1.00 0.00 C ATOM 1020 C PHE A 70 2.852 -9.171 4.046 1.00 0.00 C ATOM 1021 O PHE A 70 2.957 -8.604 2.961 1.00 0.00 O ATOM 1022 CB PHE A 70 0.508 -9.192 5.109 1.00 0.00 C ATOM 1023 CG PHE A 70 -0.232 -9.171 3.782 1.00 0.00 C ATOM 1024 CD1 PHE A 70 -0.648 -7.959 3.203 1.00 0.00 C ATOM 1025 CD2 PHE A 70 -0.605 -10.384 3.174 1.00 0.00 C ATOM 1026 CE1 PHE A 70 -1.421 -7.959 2.028 1.00 0.00 C ATOM 1027 CE2 PHE A 70 -1.383 -10.391 2.004 1.00 0.00 C ATOM 1028 CZ PHE A 70 -1.790 -9.176 1.428 1.00 0.00 C ATOM 0 H PHE A 70 2.000 -6.717 4.309 1.00 0.00 H new ATOM 0 HA PHE A 70 2.384 -8.990 6.088 1.00 0.00 H new ATOM 0 HB2 PHE A 70 0.547 -10.226 5.451 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -0.092 -8.640 5.832 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -0.372 -7.022 3.664 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -0.290 -11.320 3.611 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -1.731 -7.024 1.586 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -1.667 -11.328 1.549 1.00 0.00 H new ATOM 0 HZ PHE A 70 -2.385 -9.177 0.527 1.00 0.00 H new ATOM 1038 N VAL A 71 3.517 -10.292 4.344 1.00 0.00 N ATOM 1039 CA VAL A 71 4.303 -11.129 3.436 1.00 0.00 C ATOM 1040 C VAL A 71 3.308 -11.938 2.606 1.00 0.00 C ATOM 1041 O VAL A 71 2.907 -13.031 2.996 1.00 0.00 O ATOM 1042 CB VAL A 71 5.257 -12.069 4.216 1.00 0.00 C ATOM 1043 CG1 VAL A 71 6.223 -12.775 3.258 1.00 0.00 C ATOM 1044 CG2 VAL A 71 6.085 -11.328 5.268 1.00 0.00 C ATOM 0 H VAL A 71 3.519 -10.663 5.294 1.00 0.00 H new ATOM 0 HA VAL A 71 4.933 -10.509 2.798 1.00 0.00 H new ATOM 0 HB VAL A 71 4.618 -12.793 4.722 1.00 0.00 H new ATOM 0 HG11 VAL A 71 6.884 -13.430 3.825 1.00 0.00 H new ATOM 0 HG12 VAL A 71 5.655 -13.366 2.539 1.00 0.00 H new ATOM 0 HG13 VAL A 71 6.817 -12.031 2.727 1.00 0.00 H new ATOM 0 HG21 VAL A 71 6.735 -12.035 5.784 1.00 0.00 H new ATOM 0 HG22 VAL A 71 6.692 -10.565 4.782 1.00 0.00 H new ATOM 0 HG23 VAL A 71 5.418 -10.856 5.989 1.00 0.00 H new ATOM 1054 N SER A 72 2.843 -11.362 1.497 1.00 0.00 N ATOM 1055 CA SER A 72 1.706 -11.857 0.713 1.00 0.00 C ATOM 1056 C SER A 72 1.865 -13.277 0.145 1.00 0.00 C ATOM 1057 O SER A 72 0.858 -13.974 -0.008 1.00 0.00 O ATOM 1058 CB SER A 72 1.402 -10.860 -0.411 1.00 0.00 C ATOM 1059 OG SER A 72 2.568 -10.599 -1.170 1.00 0.00 O ATOM 0 H SER A 72 3.257 -10.515 1.107 1.00 0.00 H new ATOM 0 HA SER A 72 0.872 -11.936 1.410 1.00 0.00 H new ATOM 0 HB2 SER A 72 0.621 -11.259 -1.058 1.00 0.00 H new ATOM 0 HB3 SER A 72 1.021 -9.931 0.012 1.00 0.00 H new ATOM 0 HG SER A 72 2.357 -9.962 -1.885 1.00 0.00 H new ATOM 1065 N VAL A 73 3.099 -13.719 -0.130 1.00 0.00 N ATOM 1066 CA VAL A 73 3.423 -14.988 -0.800 1.00 0.00 C ATOM 1067 C VAL A 73 4.783 -15.544 -0.359 1.00 0.00 C ATOM 1068 O VAL A 73 5.660 -14.798 0.067 1.00 0.00 O ATOM 1069 CB VAL A 73 3.445 -14.830 -2.346 1.00 0.00 C ATOM 1070 CG1 VAL A 73 2.306 -15.630 -2.984 1.00 0.00 C ATOM 1071 CG2 VAL A 73 3.417 -13.394 -2.894 1.00 0.00 C ATOM 0 H VAL A 73 3.931 -13.183 0.117 1.00 0.00 H new ATOM 0 HA VAL A 73 2.636 -15.684 -0.509 1.00 0.00 H new ATOM 0 HB VAL A 73 4.423 -15.221 -2.625 1.00 0.00 H new ATOM 0 HG11 VAL A 73 2.337 -15.507 -4.067 1.00 0.00 H new ATOM 0 HG12 VAL A 73 2.418 -16.685 -2.735 1.00 0.00 H new ATOM 0 HG13 VAL A 73 1.350 -15.268 -2.605 1.00 0.00 H new ATOM 0 HG21 VAL A 73 3.436 -13.420 -3.984 1.00 0.00 H new ATOM 0 HG22 VAL A 73 2.508 -12.894 -2.559 1.00 0.00 H new ATOM 0 HG23 VAL A 73 4.287 -12.848 -2.529 1.00 0.00 H new ATOM 1081 N ALA A 74 5.011 -16.844 -0.587 1.00 0.00 N ATOM 1082 CA ALA A 74 6.333 -17.477 -0.495 1.00 0.00 C ATOM 1083 C ALA A 74 7.353 -16.875 -1.488 1.00 0.00 C ATOM 1084 O ALA A 74 8.552 -16.834 -1.215 1.00 0.00 O ATOM 1085 CB ALA A 74 6.142 -18.978 -0.738 1.00 0.00 C ATOM 0 H ALA A 74 4.270 -17.496 -0.845 1.00 0.00 H new ATOM 0 HA ALA A 74 6.751 -17.295 0.495 1.00 0.00 H new ATOM 0 HB1 ALA A 74 7.107 -19.482 -0.677 1.00 0.00 H new ATOM 0 HB2 ALA A 74 5.471 -19.386 0.017 1.00 0.00 H new ATOM 0 HB3 ALA A 74 5.713 -19.135 -1.728 1.00 0.00 H new ATOM 1091 N THR A 75 6.866 -16.350 -2.620 1.00 0.00 N ATOM 1092 CA THR A 75 7.601 -15.588 -3.638 1.00 0.00 C ATOM 1093 C THR A 75 7.951 -14.145 -3.232 1.00 0.00 C ATOM 1094 O THR A 75 8.505 -13.410 -4.047 1.00 0.00 O ATOM 1095 CB THR A 75 6.841 -15.587 -4.988 1.00 0.00 C ATOM 1096 OG1 THR A 75 5.503 -16.027 -4.860 1.00 0.00 O ATOM 1097 CG2 THR A 75 7.517 -16.513 -5.997 1.00 0.00 C ATOM 0 H THR A 75 5.881 -16.453 -2.865 1.00 0.00 H new ATOM 0 HA THR A 75 8.552 -16.110 -3.744 1.00 0.00 H new ATOM 0 HB THR A 75 6.856 -14.551 -5.328 1.00 0.00 H new ATOM 0 HG1 THR A 75 5.067 -16.007 -5.737 1.00 0.00 H new ATOM 0 HG21 THR A 75 6.964 -16.494 -6.936 1.00 0.00 H new ATOM 0 HG22 THR A 75 8.539 -16.177 -6.171 1.00 0.00 H new ATOM 0 HG23 THR A 75 7.531 -17.530 -5.605 1.00 0.00 H new ATOM 1105 N ALA A 76 7.686 -13.706 -1.992 1.00 0.00 N ATOM 1106 CA ALA A 76 8.005 -12.363 -1.481 1.00 0.00 C ATOM 1107 C ALA A 76 9.514 -12.012 -1.393 1.00 0.00 C ATOM 1108 O ALA A 76 9.865 -11.027 -0.748 1.00 0.00 O ATOM 1109 CB ALA A 76 7.325 -12.202 -0.115 1.00 0.00 C ATOM 0 H ALA A 76 7.229 -14.294 -1.295 1.00 0.00 H new ATOM 0 HA ALA A 76 7.623 -11.653 -2.214 1.00 0.00 H new ATOM 0 HB1 ALA A 76 7.546 -11.213 0.287 1.00 0.00 H new ATOM 0 HB2 ALA A 76 6.247 -12.315 -0.230 1.00 0.00 H new ATOM 0 HB3 ALA A 76 7.699 -12.964 0.569 1.00 0.00 H new ATOM 1115 N ASN A 77 10.406 -12.779 -2.039 1.00 0.00 N ATOM 1116 CA ASN A 77 11.882 -12.831 -1.944 1.00 0.00 C ATOM 1117 C ASN A 77 12.623 -11.544 -2.387 1.00 0.00 C ATOM 1118 O ASN A 77 13.810 -11.582 -2.711 1.00 0.00 O ATOM 1119 CB ASN A 77 12.391 -14.064 -2.732 1.00 0.00 C ATOM 1120 CG ASN A 77 11.416 -15.231 -2.749 1.00 0.00 C ATOM 1121 OD1 ASN A 77 10.845 -15.553 -3.777 1.00 0.00 O ATOM 1122 ND2 ASN A 77 11.115 -15.826 -1.616 1.00 0.00 N ATOM 0 H ASN A 77 10.075 -13.460 -2.723 1.00 0.00 H new ATOM 0 HA ASN A 77 12.118 -12.917 -0.883 1.00 0.00 H new ATOM 0 HB2 ASN A 77 12.602 -13.765 -3.759 1.00 0.00 H new ATOM 0 HB3 ASN A 77 13.333 -14.397 -2.297 1.00 0.00 H new ATOM 0 HD21 ASN A 77 10.404 -16.557 -1.597 1.00 0.00 H new ATOM 0 HD22 ASN A 77 11.593 -15.557 -0.756 1.00 0.00 H new ATOM 1129 N ALA A 78 11.917 -10.416 -2.477 1.00 0.00 N ATOM 1130 CA ALA A 78 12.383 -9.151 -3.019 1.00 0.00 C ATOM 1131 C ALA A 78 13.331 -8.384 -2.078 1.00 0.00 C ATOM 1132 O ALA A 78 13.447 -8.668 -0.884 1.00 0.00 O ATOM 1133 CB ALA A 78 11.139 -8.307 -3.338 1.00 0.00 C ATOM 0 H ALA A 78 10.951 -10.364 -2.154 1.00 0.00 H new ATOM 0 HA ALA A 78 12.975 -9.354 -3.912 1.00 0.00 H new ATOM 0 HB1 ALA A 78 11.447 -7.346 -3.749 1.00 0.00 H new ATOM 0 HB2 ALA A 78 10.521 -8.831 -4.067 1.00 0.00 H new ATOM 0 HB3 ALA A 78 10.566 -8.145 -2.425 1.00 0.00 H new ATOM 1139 N LYS A 79 13.935 -7.334 -2.647 1.00 0.00 N ATOM 1140 CA LYS A 79 14.556 -6.173 -2.002 1.00 0.00 C ATOM 1141 C LYS A 79 13.621 -4.996 -2.292 1.00 0.00 C ATOM 1142 O LYS A 79 13.423 -4.656 -3.457 1.00 0.00 O ATOM 1143 CB LYS A 79 15.995 -6.036 -2.541 1.00 0.00 C ATOM 1144 CG LYS A 79 16.699 -4.674 -2.365 1.00 0.00 C ATOM 1145 CD LYS A 79 16.406 -3.684 -3.512 1.00 0.00 C ATOM 1146 CE LYS A 79 17.619 -2.825 -3.902 1.00 0.00 C ATOM 1147 NZ LYS A 79 17.885 -1.741 -2.933 1.00 0.00 N ATOM 0 H LYS A 79 14.008 -7.271 -3.662 1.00 0.00 H new ATOM 0 HA LYS A 79 14.668 -6.246 -0.920 1.00 0.00 H new ATOM 0 HB2 LYS A 79 16.608 -6.796 -2.057 1.00 0.00 H new ATOM 0 HB3 LYS A 79 15.978 -6.270 -3.605 1.00 0.00 H new ATOM 0 HG2 LYS A 79 16.384 -4.229 -1.421 1.00 0.00 H new ATOM 0 HG3 LYS A 79 17.775 -4.835 -2.299 1.00 0.00 H new ATOM 0 HD2 LYS A 79 16.069 -4.242 -4.386 1.00 0.00 H new ATOM 0 HD3 LYS A 79 15.586 -3.029 -3.216 1.00 0.00 H new ATOM 0 HE2 LYS A 79 18.500 -3.462 -3.980 1.00 0.00 H new ATOM 0 HE3 LYS A 79 17.451 -2.392 -4.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 18.770 -1.257 -3.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 17.100 -1.059 -2.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 17.973 -2.143 -1.978 1.00 0.00 H new ATOM 1161 N VAL A 80 12.947 -4.482 -1.259 1.00 0.00 N ATOM 1162 CA VAL A 80 11.721 -3.679 -1.393 1.00 0.00 C ATOM 1163 C VAL A 80 11.724 -2.453 -0.473 1.00 0.00 C ATOM 1164 O VAL A 80 11.938 -2.547 0.738 1.00 0.00 O ATOM 1165 CB VAL A 80 10.460 -4.562 -1.227 1.00 0.00 C ATOM 1166 CG1 VAL A 80 10.452 -5.433 0.037 1.00 0.00 C ATOM 1167 CG2 VAL A 80 9.173 -3.727 -1.273 1.00 0.00 C ATOM 0 H VAL A 80 13.239 -4.612 -0.291 1.00 0.00 H new ATOM 0 HA VAL A 80 11.695 -3.278 -2.406 1.00 0.00 H new ATOM 0 HB VAL A 80 10.496 -5.241 -2.079 1.00 0.00 H new ATOM 0 HG11 VAL A 80 9.532 -6.017 0.071 1.00 0.00 H new ATOM 0 HG12 VAL A 80 11.309 -6.106 0.020 1.00 0.00 H new ATOM 0 HG13 VAL A 80 10.509 -4.795 0.919 1.00 0.00 H new ATOM 0 HG21 VAL A 80 8.310 -4.382 -1.153 1.00 0.00 H new ATOM 0 HG22 VAL A 80 9.186 -2.993 -0.467 1.00 0.00 H new ATOM 0 HG23 VAL A 80 9.107 -3.212 -2.231 1.00 0.00 H new ATOM 1177 N LEU A 81 11.492 -1.293 -1.101 1.00 0.00 N ATOM 1178 CA LEU A 81 11.426 0.039 -0.504 1.00 0.00 C ATOM 1179 C LEU A 81 9.974 0.353 -0.098 1.00 0.00 C ATOM 1180 O LEU A 81 9.063 0.178 -0.909 1.00 0.00 O ATOM 1181 CB LEU A 81 11.933 1.059 -1.558 1.00 0.00 C ATOM 1182 CG LEU A 81 12.927 2.149 -1.102 1.00 0.00 C ATOM 1183 CD1 LEU A 81 12.779 3.388 -1.991 1.00 0.00 C ATOM 1184 CD2 LEU A 81 12.769 2.610 0.341 1.00 0.00 C ATOM 0 H LEU A 81 11.335 -1.263 -2.108 1.00 0.00 H new ATOM 0 HA LEU A 81 12.046 0.094 0.391 1.00 0.00 H new ATOM 0 HB2 LEU A 81 12.403 0.497 -2.365 1.00 0.00 H new ATOM 0 HB3 LEU A 81 11.062 1.559 -1.982 1.00 0.00 H new ATOM 0 HG LEU A 81 13.907 1.678 -1.185 1.00 0.00 H new ATOM 0 HD11 LEU A 81 13.482 4.155 -1.666 1.00 0.00 H new ATOM 0 HD12 LEU A 81 12.988 3.120 -3.027 1.00 0.00 H new ATOM 0 HD13 LEU A 81 11.762 3.772 -1.914 1.00 0.00 H new ATOM 0 HD21 LEU A 81 13.513 3.375 0.562 1.00 0.00 H new ATOM 0 HD22 LEU A 81 11.770 3.023 0.484 1.00 0.00 H new ATOM 0 HD23 LEU A 81 12.911 1.762 1.011 1.00 0.00 H new ATOM 1196 N ILE A 82 9.750 0.821 1.135 1.00 0.00 N ATOM 1197 CA ILE A 82 8.420 1.093 1.710 1.00 0.00 C ATOM 1198 C ILE A 82 8.422 2.462 2.407 1.00 0.00 C ATOM 1199 O ILE A 82 9.401 2.827 3.055 1.00 0.00 O ATOM 1200 CB ILE A 82 8.061 -0.065 2.682 1.00 0.00 C ATOM 1201 CG1 ILE A 82 7.639 -1.333 1.899 1.00 0.00 C ATOM 1202 CG2 ILE A 82 6.943 0.294 3.678 1.00 0.00 C ATOM 1203 CD1 ILE A 82 7.957 -2.633 2.647 1.00 0.00 C ATOM 0 H ILE A 82 10.510 1.029 1.783 1.00 0.00 H new ATOM 0 HA ILE A 82 7.659 1.137 0.930 1.00 0.00 H new ATOM 0 HB ILE A 82 8.969 -0.254 3.255 1.00 0.00 H new ATOM 0 HG12 ILE A 82 6.569 -1.289 1.697 1.00 0.00 H new ATOM 0 HG13 ILE A 82 8.145 -1.343 0.934 1.00 0.00 H new ATOM 0 HG21 ILE A 82 6.744 -0.560 4.325 1.00 0.00 H new ATOM 0 HG22 ILE A 82 7.255 1.144 4.285 1.00 0.00 H new ATOM 0 HG23 ILE A 82 6.037 0.553 3.130 1.00 0.00 H new ATOM 0 HD11 ILE A 82 7.638 -3.485 2.047 1.00 0.00 H new ATOM 0 HD12 ILE A 82 9.030 -2.697 2.826 1.00 0.00 H new ATOM 0 HD13 ILE A 82 7.429 -2.642 3.601 1.00 0.00 H new ATOM 1215 N GLU A 83 7.313 3.207 2.310 1.00 0.00 N ATOM 1216 CA GLU A 83 7.053 4.407 3.107 1.00 0.00 C ATOM 1217 C GLU A 83 6.352 4.070 4.433 1.00 0.00 C ATOM 1218 O GLU A 83 5.349 3.346 4.465 1.00 0.00 O ATOM 1219 CB GLU A 83 6.193 5.428 2.338 1.00 0.00 C ATOM 1220 CG GLU A 83 6.972 6.130 1.225 1.00 0.00 C ATOM 1221 CD GLU A 83 6.149 7.239 0.556 1.00 0.00 C ATOM 1222 OE1 GLU A 83 5.833 8.241 1.247 1.00 0.00 O ATOM 1223 OE2 GLU A 83 5.888 7.139 -0.659 1.00 0.00 O ATOM 0 H GLU A 83 6.558 2.985 1.661 1.00 0.00 H new ATOM 0 HA GLU A 83 8.028 4.846 3.318 1.00 0.00 H new ATOM 0 HB2 GLU A 83 5.330 4.920 1.908 1.00 0.00 H new ATOM 0 HB3 GLU A 83 5.810 6.174 3.035 1.00 0.00 H new ATOM 0 HG2 GLU A 83 7.887 6.556 1.637 1.00 0.00 H new ATOM 0 HG3 GLU A 83 7.271 5.398 0.475 1.00 0.00 H new ATOM 1230 N LEU A 84 6.840 4.686 5.513 1.00 0.00 N ATOM 1231 CA LEU A 84 6.198 4.786 6.825 1.00 0.00 C ATOM 1232 C LEU A 84 5.930 6.259 7.163 1.00 0.00 C ATOM 1233 O LEU A 84 6.600 7.164 6.660 1.00 0.00 O ATOM 1234 CB LEU A 84 7.103 4.142 7.899 1.00 0.00 C ATOM 1235 CG LEU A 84 6.744 2.688 8.244 1.00 0.00 C ATOM 1236 CD1 LEU A 84 6.854 1.743 7.045 1.00 0.00 C ATOM 1237 CD2 LEU A 84 7.665 2.185 9.356 1.00 0.00 C ATOM 0 H LEU A 84 7.746 5.155 5.493 1.00 0.00 H new ATOM 0 HA LEU A 84 5.247 4.255 6.804 1.00 0.00 H new ATOM 0 HB2 LEU A 84 8.136 4.176 7.554 1.00 0.00 H new ATOM 0 HB3 LEU A 84 7.051 4.742 8.808 1.00 0.00 H new ATOM 0 HG LEU A 84 5.703 2.688 8.566 1.00 0.00 H new ATOM 0 HD11 LEU A 84 6.588 0.732 7.353 1.00 0.00 H new ATOM 0 HD12 LEU A 84 6.176 2.073 6.258 1.00 0.00 H new ATOM 0 HD13 LEU A 84 7.877 1.750 6.669 1.00 0.00 H new ATOM 0 HD21 LEU A 84 7.410 1.154 9.601 1.00 0.00 H new ATOM 0 HD22 LEU A 84 8.701 2.233 9.020 1.00 0.00 H new ATOM 0 HD23 LEU A 84 7.541 2.809 10.241 1.00 0.00 H new ATOM 1249 N GLU A 85 4.975 6.500 8.062 1.00 0.00 N ATOM 1250 CA GLU A 85 4.713 7.818 8.638 1.00 0.00 C ATOM 1251 C GLU A 85 5.546 7.979 9.925 1.00 0.00 C ATOM 1252 O GLU A 85 5.312 7.237 10.889 1.00 0.00 O ATOM 1253 CB GLU A 85 3.210 7.988 8.896 1.00 0.00 C ATOM 1254 CG GLU A 85 2.824 9.424 9.277 1.00 0.00 C ATOM 1255 CD GLU A 85 1.323 9.530 9.584 1.00 0.00 C ATOM 1256 OE1 GLU A 85 0.505 9.254 8.674 1.00 0.00 O ATOM 1257 OE2 GLU A 85 0.981 9.845 10.747 1.00 0.00 O ATOM 0 H GLU A 85 4.353 5.773 8.415 1.00 0.00 H new ATOM 0 HA GLU A 85 5.010 8.602 7.942 1.00 0.00 H new ATOM 0 HB2 GLU A 85 2.658 7.695 8.003 1.00 0.00 H new ATOM 0 HB3 GLU A 85 2.906 7.312 9.695 1.00 0.00 H new ATOM 0 HG2 GLU A 85 3.400 9.740 10.147 1.00 0.00 H new ATOM 0 HG3 GLU A 85 3.080 10.101 8.462 1.00 0.00 H new ATOM 1264 N PRO A 86 6.537 8.891 9.956 1.00 0.00 N ATOM 1265 CA PRO A 86 7.317 9.201 11.148 1.00 0.00 C ATOM 1266 C PRO A 86 6.515 10.142 12.071 1.00 0.00 C ATOM 1267 O PRO A 86 6.108 11.219 11.626 1.00 0.00 O ATOM 1268 CB PRO A 86 8.587 9.876 10.615 1.00 0.00 C ATOM 1269 CG PRO A 86 8.103 10.611 9.369 1.00 0.00 C ATOM 1270 CD PRO A 86 6.976 9.725 8.847 1.00 0.00 C ATOM 0 HA PRO A 86 7.556 8.320 11.744 1.00 0.00 H new ATOM 0 HB2 PRO A 86 9.014 10.563 11.346 1.00 0.00 H new ATOM 0 HB3 PRO A 86 9.360 9.145 10.375 1.00 0.00 H new ATOM 0 HG2 PRO A 86 7.748 11.614 9.607 1.00 0.00 H new ATOM 0 HG3 PRO A 86 8.900 10.722 8.634 1.00 0.00 H new ATOM 0 HD2 PRO A 86 6.152 10.332 8.472 1.00 0.00 H new ATOM 0 HD3 PRO A 86 7.323 9.110 8.017 1.00 0.00 H new ATOM 1278 N PRO A 87 6.255 9.785 13.344 1.00 0.00 N ATOM 1279 CA PRO A 87 5.668 10.722 14.300 1.00 0.00 C ATOM 1280 C PRO A 87 6.637 11.870 14.647 1.00 0.00 C ATOM 1281 O PRO A 87 7.835 11.810 14.382 1.00 0.00 O ATOM 1282 CB PRO A 87 5.307 9.864 15.514 1.00 0.00 C ATOM 1283 CG PRO A 87 6.352 8.751 15.474 1.00 0.00 C ATOM 1284 CD PRO A 87 6.512 8.501 13.979 1.00 0.00 C ATOM 0 HA PRO A 87 4.790 11.227 13.897 1.00 0.00 H new ATOM 0 HB2 PRO A 87 5.361 10.434 16.441 1.00 0.00 H new ATOM 0 HB3 PRO A 87 4.294 9.469 15.441 1.00 0.00 H new ATOM 0 HG2 PRO A 87 7.290 9.058 15.937 1.00 0.00 H new ATOM 0 HG3 PRO A 87 6.014 7.858 16.001 1.00 0.00 H new ATOM 0 HD2 PRO A 87 7.514 8.141 13.746 1.00 0.00 H new ATOM 0 HD3 PRO A 87 5.811 7.743 13.630 1.00 0.00 H new ATOM 1292 N PHE A 88 6.112 12.942 15.243 1.00 0.00 N ATOM 1293 CA PHE A 88 6.911 14.119 15.593 1.00 0.00 C ATOM 1294 C PHE A 88 7.684 13.914 16.907 1.00 0.00 C ATOM 1295 O PHE A 88 7.198 13.271 17.839 1.00 0.00 O ATOM 1296 CB PHE A 88 5.993 15.349 15.634 1.00 0.00 C ATOM 1297 CG PHE A 88 5.305 15.616 14.303 1.00 0.00 C ATOM 1298 CD1 PHE A 88 6.054 16.104 13.215 1.00 0.00 C ATOM 1299 CD2 PHE A 88 3.936 15.329 14.132 1.00 0.00 C ATOM 1300 CE1 PHE A 88 5.441 16.302 11.964 1.00 0.00 C ATOM 1301 CE2 PHE A 88 3.323 15.524 12.880 1.00 0.00 C ATOM 1302 CZ PHE A 88 4.076 16.009 11.795 1.00 0.00 C ATOM 0 H PHE A 88 5.127 13.020 15.496 1.00 0.00 H new ATOM 0 HA PHE A 88 7.673 14.280 14.830 1.00 0.00 H new ATOM 0 HB2 PHE A 88 5.237 15.207 16.406 1.00 0.00 H new ATOM 0 HB3 PHE A 88 6.578 16.224 15.917 1.00 0.00 H new ATOM 0 HD1 PHE A 88 7.103 16.327 13.341 1.00 0.00 H new ATOM 0 HD2 PHE A 88 3.355 14.958 14.964 1.00 0.00 H new ATOM 0 HE1 PHE A 88 6.019 16.679 11.133 1.00 0.00 H new ATOM 0 HE2 PHE A 88 2.274 15.301 12.752 1.00 0.00 H new ATOM 0 HZ PHE A 88 3.606 16.156 10.834 1.00 0.00 H new ATOM 1312 N GLY A 89 8.891 14.483 16.971 1.00 0.00 N ATOM 1313 CA GLY A 89 9.867 14.338 18.045 1.00 0.00 C ATOM 1314 C GLY A 89 10.993 13.398 17.614 1.00 0.00 C ATOM 1315 O GLY A 89 11.935 13.809 16.938 1.00 0.00 O ATOM 0 H GLY A 89 9.230 15.093 16.227 1.00 0.00 H new ATOM 0 HA2 GLY A 89 10.278 15.313 18.306 1.00 0.00 H new ATOM 0 HA3 GLY A 89 9.380 13.947 18.938 1.00 0.00 H new ATOM 1319 N ASP A 90 10.862 12.117 17.955 1.00 0.00 N ATOM 1320 CA ASP A 90 11.684 11.025 17.427 1.00 0.00 C ATOM 1321 C ASP A 90 10.828 10.086 16.555 1.00 0.00 C ATOM 1322 O ASP A 90 9.614 10.249 16.419 1.00 0.00 O ATOM 1323 CB ASP A 90 12.344 10.258 18.584 1.00 0.00 C ATOM 1324 CG ASP A 90 13.630 10.858 19.154 1.00 0.00 C ATOM 1325 OD1 ASP A 90 14.272 11.726 18.513 1.00 0.00 O ATOM 1326 OD2 ASP A 90 14.062 10.361 20.222 1.00 0.00 O ATOM 0 H ASP A 90 10.162 11.799 18.625 1.00 0.00 H new ATOM 0 HA ASP A 90 12.472 11.441 16.799 1.00 0.00 H new ATOM 0 HB2 ASP A 90 11.619 10.172 19.394 1.00 0.00 H new ATOM 0 HB3 ASP A 90 12.562 9.246 18.242 1.00 0.00 H new ATOM 1331 N SER A 91 11.457 9.099 15.914 1.00 0.00 N ATOM 1332 CA SER A 91 10.781 8.120 15.063 1.00 0.00 C ATOM 1333 C SER A 91 11.559 6.811 15.016 1.00 0.00 C ATOM 1334 O SER A 91 12.508 6.654 14.254 1.00 0.00 O ATOM 1335 CB SER A 91 10.600 8.702 13.666 1.00 0.00 C ATOM 1336 OG SER A 91 9.563 9.651 13.699 1.00 0.00 O ATOM 0 H SER A 91 12.465 8.956 15.973 1.00 0.00 H new ATOM 0 HA SER A 91 9.800 7.899 15.483 1.00 0.00 H new ATOM 0 HB2 SER A 91 11.526 9.167 13.329 1.00 0.00 H new ATOM 0 HB3 SER A 91 10.364 7.910 12.955 1.00 0.00 H new ATOM 0 HG SER A 91 9.358 9.879 14.630 1.00 0.00 H new ATOM 1342 N TYR A 92 11.159 5.863 15.855 1.00 0.00 N ATOM 1343 CA TYR A 92 11.753 4.543 15.980 1.00 0.00 C ATOM 1344 C TYR A 92 10.951 3.541 15.149 1.00 0.00 C ATOM 1345 O TYR A 92 9.724 3.455 15.254 1.00 0.00 O ATOM 1346 CB TYR A 92 11.841 4.177 17.465 1.00 0.00 C ATOM 1347 CG TYR A 92 12.678 5.173 18.252 1.00 0.00 C ATOM 1348 CD1 TYR A 92 14.077 5.155 18.117 1.00 0.00 C ATOM 1349 CD2 TYR A 92 12.069 6.172 19.037 1.00 0.00 C ATOM 1350 CE1 TYR A 92 14.869 6.125 18.757 1.00 0.00 C ATOM 1351 CE2 TYR A 92 12.858 7.134 19.701 1.00 0.00 C ATOM 1352 CZ TYR A 92 14.264 7.128 19.544 1.00 0.00 C ATOM 1353 OH TYR A 92 15.043 8.092 20.110 1.00 0.00 O ATOM 0 H TYR A 92 10.376 6.003 16.494 1.00 0.00 H new ATOM 0 HA TYR A 92 12.769 4.526 15.586 1.00 0.00 H new ATOM 0 HB2 TYR A 92 10.837 4.135 17.887 1.00 0.00 H new ATOM 0 HB3 TYR A 92 12.272 3.181 17.567 1.00 0.00 H new ATOM 0 HD1 TYR A 92 14.547 4.390 17.517 1.00 0.00 H new ATOM 0 HD2 TYR A 92 10.993 6.201 19.131 1.00 0.00 H new ATOM 0 HE1 TYR A 92 15.943 6.102 18.646 1.00 0.00 H new ATOM 0 HE2 TYR A 92 12.388 7.876 20.330 1.00 0.00 H new ATOM 0 HH TYR A 92 14.476 8.826 20.427 1.00 0.00 H new ATOM 1363 N ILE A 93 11.670 2.815 14.289 1.00 0.00 N ATOM 1364 CA ILE A 93 11.119 1.968 13.233 1.00 0.00 C ATOM 1365 C ILE A 93 11.379 0.516 13.623 1.00 0.00 C ATOM 1366 O ILE A 93 12.490 0.011 13.453 1.00 0.00 O ATOM 1367 CB ILE A 93 11.725 2.342 11.861 1.00 0.00 C ATOM 1368 CG1 ILE A 93 11.573 3.842 11.510 1.00 0.00 C ATOM 1369 CG2 ILE A 93 11.124 1.452 10.759 1.00 0.00 C ATOM 1370 CD1 ILE A 93 10.137 4.349 11.321 1.00 0.00 C ATOM 0 H ILE A 93 12.690 2.802 14.312 1.00 0.00 H new ATOM 0 HA ILE A 93 10.044 2.117 13.129 1.00 0.00 H new ATOM 0 HB ILE A 93 12.798 2.161 11.928 1.00 0.00 H new ATOM 0 HG12 ILE A 93 12.043 4.428 12.300 1.00 0.00 H new ATOM 0 HG13 ILE A 93 12.129 4.038 10.593 1.00 0.00 H new ATOM 0 HG21 ILE A 93 11.557 1.723 9.796 1.00 0.00 H new ATOM 0 HG22 ILE A 93 11.345 0.407 10.975 1.00 0.00 H new ATOM 0 HG23 ILE A 93 10.044 1.595 10.724 1.00 0.00 H new ATOM 0 HD11 ILE A 93 10.155 5.412 11.079 1.00 0.00 H new ATOM 0 HD12 ILE A 93 9.661 3.800 10.509 1.00 0.00 H new ATOM 0 HD13 ILE A 93 9.573 4.196 12.241 1.00 0.00 H new ATOM 1382 N VAL A 94 10.374 -0.124 14.222 1.00 0.00 N ATOM 1383 CA VAL A 94 10.487 -1.461 14.821 1.00 0.00 C ATOM 1384 C VAL A 94 9.990 -2.514 13.829 1.00 0.00 C ATOM 1385 O VAL A 94 9.009 -2.293 13.119 1.00 0.00 O ATOM 1386 CB VAL A 94 9.721 -1.530 16.160 1.00 0.00 C ATOM 1387 CG1 VAL A 94 9.949 -2.877 16.861 1.00 0.00 C ATOM 1388 CG2 VAL A 94 10.172 -0.421 17.128 1.00 0.00 C ATOM 0 H VAL A 94 9.440 0.277 14.308 1.00 0.00 H new ATOM 0 HA VAL A 94 11.534 -1.667 15.041 1.00 0.00 H new ATOM 0 HB VAL A 94 8.667 -1.404 15.915 1.00 0.00 H new ATOM 0 HG11 VAL A 94 9.397 -2.896 17.801 1.00 0.00 H new ATOM 0 HG12 VAL A 94 9.599 -3.685 16.219 1.00 0.00 H new ATOM 0 HG13 VAL A 94 11.012 -3.007 17.062 1.00 0.00 H new ATOM 0 HG21 VAL A 94 9.611 -0.501 18.059 1.00 0.00 H new ATOM 0 HG22 VAL A 94 11.237 -0.529 17.335 1.00 0.00 H new ATOM 0 HG23 VAL A 94 9.988 0.554 16.676 1.00 0.00 H new ATOM 1398 N VAL A 95 10.679 -3.659 13.779 1.00 0.00 N ATOM 1399 CA VAL A 95 10.411 -4.797 12.893 1.00 0.00 C ATOM 1400 C VAL A 95 10.515 -6.076 13.728 1.00 0.00 C ATOM 1401 O VAL A 95 11.624 -6.537 13.990 1.00 0.00 O ATOM 1402 CB VAL A 95 11.404 -4.806 11.704 1.00 0.00 C ATOM 1403 CG1 VAL A 95 11.190 -6.020 10.784 1.00 0.00 C ATOM 1404 CG2 VAL A 95 11.272 -3.546 10.836 1.00 0.00 C ATOM 0 H VAL A 95 11.481 -3.826 14.387 1.00 0.00 H new ATOM 0 HA VAL A 95 9.411 -4.724 12.465 1.00 0.00 H new ATOM 0 HB VAL A 95 12.395 -4.848 12.157 1.00 0.00 H new ATOM 0 HG11 VAL A 95 11.907 -5.986 9.964 1.00 0.00 H new ATOM 0 HG12 VAL A 95 11.333 -6.938 11.354 1.00 0.00 H new ATOM 0 HG13 VAL A 95 10.177 -5.997 10.381 1.00 0.00 H new ATOM 0 HG21 VAL A 95 11.986 -3.594 10.014 1.00 0.00 H new ATOM 0 HG22 VAL A 95 10.261 -3.485 10.434 1.00 0.00 H new ATOM 0 HG23 VAL A 95 11.475 -2.663 11.443 1.00 0.00 H new ATOM 1414 N GLY A 96 9.397 -6.656 14.181 1.00 0.00 N ATOM 1415 CA GLY A 96 9.458 -7.918 14.921 1.00 0.00 C ATOM 1416 C GLY A 96 8.250 -8.324 15.762 1.00 0.00 C ATOM 1417 O GLY A 96 7.339 -7.543 16.020 1.00 0.00 O ATOM 0 H GLY A 96 8.458 -6.280 14.051 1.00 0.00 H new ATOM 0 HA2 GLY A 96 9.646 -8.716 14.202 1.00 0.00 H new ATOM 0 HA3 GLY A 96 10.324 -7.874 15.582 1.00 0.00 H new ATOM 1421 N ARG A 97 8.296 -9.580 16.214 1.00 0.00 N ATOM 1422 CA ARG A 97 7.322 -10.264 17.075 1.00 0.00 C ATOM 1423 C ARG A 97 8.075 -11.079 18.128 1.00 0.00 C ATOM 1424 O ARG A 97 8.891 -11.924 17.770 1.00 0.00 O ATOM 1425 CB ARG A 97 6.381 -11.185 16.267 1.00 0.00 C ATOM 1426 CG ARG A 97 7.088 -11.999 15.159 1.00 0.00 C ATOM 1427 CD ARG A 97 6.523 -13.403 14.942 1.00 0.00 C ATOM 1428 NE ARG A 97 6.684 -14.267 16.125 1.00 0.00 N ATOM 1429 CZ ARG A 97 5.753 -14.986 16.732 1.00 0.00 C ATOM 1430 NH1 ARG A 97 4.530 -15.114 16.253 1.00 0.00 N ATOM 1431 NH2 ARG A 97 6.053 -15.592 17.856 1.00 0.00 N ATOM 0 H ARG A 97 9.074 -10.194 15.970 1.00 0.00 H new ATOM 0 HA ARG A 97 6.700 -9.508 17.554 1.00 0.00 H new ATOM 0 HB2 ARG A 97 5.890 -11.876 16.953 1.00 0.00 H new ATOM 0 HB3 ARG A 97 5.598 -10.577 15.813 1.00 0.00 H new ATOM 0 HG2 ARG A 97 7.022 -11.446 14.222 1.00 0.00 H new ATOM 0 HG3 ARG A 97 8.146 -12.082 15.406 1.00 0.00 H new ATOM 0 HD2 ARG A 97 5.465 -13.330 14.691 1.00 0.00 H new ATOM 0 HD3 ARG A 97 7.022 -13.864 14.089 1.00 0.00 H new ATOM 0 HE ARG A 97 7.622 -14.317 16.522 1.00 0.00 H new ATOM 0 HH11 ARG A 97 4.272 -14.649 15.383 1.00 0.00 H new ATOM 0 HH12 ARG A 97 3.843 -15.678 16.753 1.00 0.00 H new ATOM 0 HH21 ARG A 97 6.991 -15.505 18.248 1.00 0.00 H new ATOM 0 HH22 ARG A 97 5.349 -16.150 18.338 1.00 0.00 H new ATOM 1445 N GLY A 98 7.785 -10.827 19.408 1.00 0.00 N ATOM 1446 CA GLY A 98 8.335 -11.521 20.579 1.00 0.00 C ATOM 1447 C GLY A 98 9.812 -11.912 20.463 1.00 0.00 C ATOM 1448 O GLY A 98 10.695 -11.091 20.697 1.00 0.00 O ATOM 0 H GLY A 98 7.125 -10.095 19.670 1.00 0.00 H new ATOM 0 HA2 GLY A 98 8.211 -10.882 21.453 1.00 0.00 H new ATOM 0 HA3 GLY A 98 7.749 -12.422 20.757 1.00 0.00 H new ATOM 1452 N GLU A 99 10.069 -13.174 20.111 1.00 0.00 N ATOM 1453 CA GLU A 99 11.399 -13.781 19.994 1.00 0.00 C ATOM 1454 C GLU A 99 12.250 -13.313 18.798 1.00 0.00 C ATOM 1455 O GLU A 99 13.461 -13.521 18.813 1.00 0.00 O ATOM 1456 CB GLU A 99 11.234 -15.313 19.972 1.00 0.00 C ATOM 1457 CG GLU A 99 10.684 -15.921 18.665 1.00 0.00 C ATOM 1458 CD GLU A 99 9.290 -15.433 18.237 1.00 0.00 C ATOM 1459 OE1 GLU A 99 8.416 -15.164 19.096 1.00 0.00 O ATOM 1460 OE2 GLU A 99 9.041 -15.329 17.018 1.00 0.00 O ATOM 0 H GLU A 99 9.322 -13.832 19.889 1.00 0.00 H new ATOM 0 HA GLU A 99 11.963 -13.443 20.863 1.00 0.00 H new ATOM 0 HB2 GLU A 99 12.204 -15.765 20.178 1.00 0.00 H new ATOM 0 HB3 GLU A 99 10.570 -15.598 20.788 1.00 0.00 H new ATOM 0 HG2 GLU A 99 11.387 -15.704 17.861 1.00 0.00 H new ATOM 0 HG3 GLU A 99 10.651 -17.005 18.776 1.00 0.00 H new ATOM 1467 N GLN A 100 11.652 -12.687 17.776 1.00 0.00 N ATOM 1468 CA GLN A 100 12.338 -12.229 16.562 1.00 0.00 C ATOM 1469 C GLN A 100 12.062 -10.732 16.348 1.00 0.00 C ATOM 1470 O GLN A 100 10.988 -10.357 15.876 1.00 0.00 O ATOM 1471 CB GLN A 100 11.994 -13.141 15.352 1.00 0.00 C ATOM 1472 CG GLN A 100 10.515 -13.141 14.924 1.00 0.00 C ATOM 1473 CD GLN A 100 10.120 -14.254 13.956 1.00 0.00 C ATOM 1474 OE1 GLN A 100 10.049 -14.075 12.748 1.00 0.00 O ATOM 1475 NE2 GLN A 100 9.758 -15.417 14.452 1.00 0.00 N ATOM 0 H GLN A 100 10.653 -12.480 17.771 1.00 0.00 H new ATOM 0 HA GLN A 100 13.418 -12.322 16.675 1.00 0.00 H new ATOM 0 HB2 GLN A 100 12.601 -12.831 14.501 1.00 0.00 H new ATOM 0 HB3 GLN A 100 12.284 -14.163 15.595 1.00 0.00 H new ATOM 0 HG2 GLN A 100 9.895 -13.220 15.817 1.00 0.00 H new ATOM 0 HG3 GLN A 100 10.287 -12.181 14.462 1.00 0.00 H new ATOM 0 HE21 GLN A 100 9.811 -15.582 15.457 1.00 0.00 H new ATOM 0 HE22 GLN A 100 9.424 -16.154 13.831 1.00 0.00 H new ATOM 1484 N GLN A 101 13.007 -9.857 16.733 1.00 0.00 N ATOM 1485 CA GLN A 101 12.878 -8.415 16.491 1.00 0.00 C ATOM 1486 C GLN A 101 14.182 -7.719 16.100 1.00 0.00 C ATOM 1487 O GLN A 101 15.280 -8.159 16.437 1.00 0.00 O ATOM 1488 CB GLN A 101 12.160 -7.714 17.671 1.00 0.00 C ATOM 1489 CG GLN A 101 13.050 -7.110 18.784 1.00 0.00 C ATOM 1490 CD GLN A 101 13.208 -5.583 18.674 1.00 0.00 C ATOM 1491 OE1 GLN A 101 14.242 -5.031 18.313 1.00 0.00 O ATOM 1492 NE2 GLN A 101 12.171 -4.835 19.004 1.00 0.00 N ATOM 0 H GLN A 101 13.866 -10.126 17.212 1.00 0.00 H new ATOM 0 HA GLN A 101 12.249 -8.317 15.606 1.00 0.00 H new ATOM 0 HB2 GLN A 101 11.541 -6.915 17.263 1.00 0.00 H new ATOM 0 HB3 GLN A 101 11.486 -8.435 18.132 1.00 0.00 H new ATOM 0 HG2 GLN A 101 12.621 -7.355 19.756 1.00 0.00 H new ATOM 0 HG3 GLN A 101 14.035 -7.574 18.744 1.00 0.00 H new ATOM 0 HE21 GLN A 101 11.301 -5.274 19.307 1.00 0.00 H new ATOM 0 HE22 GLN A 101 12.240 -3.818 18.956 1.00 0.00 H new ATOM 1501 N ILE A 102 14.006 -6.590 15.418 1.00 0.00 N ATOM 1502 CA ILE A 102 14.992 -5.571 15.082 1.00 0.00 C ATOM 1503 C ILE A 102 14.319 -4.198 15.196 1.00 0.00 C ATOM 1504 O ILE A 102 13.090 -4.081 15.187 1.00 0.00 O ATOM 1505 CB ILE A 102 15.586 -5.757 13.652 1.00 0.00 C ATOM 1506 CG1 ILE A 102 14.999 -6.925 12.817 1.00 0.00 C ATOM 1507 CG2 ILE A 102 17.114 -5.886 13.786 1.00 0.00 C ATOM 1508 CD1 ILE A 102 15.317 -6.846 11.319 1.00 0.00 C ATOM 0 H ILE A 102 13.085 -6.345 15.054 1.00 0.00 H new ATOM 0 HA ILE A 102 15.827 -5.658 15.777 1.00 0.00 H new ATOM 0 HB ILE A 102 15.299 -4.875 13.080 1.00 0.00 H new ATOM 0 HG12 ILE A 102 15.383 -7.867 13.210 1.00 0.00 H new ATOM 0 HG13 ILE A 102 13.917 -6.943 12.947 1.00 0.00 H new ATOM 0 HG21 ILE A 102 17.556 -6.017 12.798 1.00 0.00 H new ATOM 0 HG22 ILE A 102 17.516 -4.984 14.246 1.00 0.00 H new ATOM 0 HG23 ILE A 102 17.353 -6.748 14.408 1.00 0.00 H new ATOM 0 HD11 ILE A 102 14.871 -7.699 10.807 1.00 0.00 H new ATOM 0 HD12 ILE A 102 14.909 -5.922 10.909 1.00 0.00 H new ATOM 0 HD13 ILE A 102 16.397 -6.861 11.175 1.00 0.00 H new ATOM 1520 N ASN A 103 15.124 -3.135 15.234 1.00 0.00 N ATOM 1521 CA ASN A 103 14.637 -1.771 15.084 1.00 0.00 C ATOM 1522 C ASN A 103 15.702 -0.874 14.439 1.00 0.00 C ATOM 1523 O ASN A 103 16.893 -1.196 14.448 1.00 0.00 O ATOM 1524 CB ASN A 103 14.167 -1.238 16.452 1.00 0.00 C ATOM 1525 CG ASN A 103 15.300 -1.095 17.456 1.00 0.00 C ATOM 1526 OD1 ASN A 103 15.901 -0.040 17.575 1.00 0.00 O ATOM 1527 ND2 ASN A 103 15.615 -2.135 18.209 1.00 0.00 N ATOM 0 H ASN A 103 16.133 -3.200 15.370 1.00 0.00 H new ATOM 0 HA ASN A 103 13.781 -1.763 14.409 1.00 0.00 H new ATOM 0 HB2 ASN A 103 13.688 -0.269 16.313 1.00 0.00 H new ATOM 0 HB3 ASN A 103 13.412 -1.911 16.858 1.00 0.00 H new ATOM 0 HD21 ASN A 103 16.365 -2.059 18.896 1.00 0.00 H new ATOM 0 HD22 ASN A 103 15.108 -3.014 18.103 1.00 0.00 H new ATOM 1534 N HIS A 104 15.260 0.259 13.894 1.00 0.00 N ATOM 1535 CA HIS A 104 16.080 1.365 13.398 1.00 0.00 C ATOM 1536 C HIS A 104 15.571 2.696 13.979 1.00 0.00 C ATOM 1537 O HIS A 104 14.561 2.736 14.689 1.00 0.00 O ATOM 1538 CB HIS A 104 16.115 1.336 11.856 1.00 0.00 C ATOM 1539 CG HIS A 104 17.111 0.359 11.266 1.00 0.00 C ATOM 1540 ND1 HIS A 104 17.830 -0.607 11.936 1.00 0.00 N ATOM 1541 CD2 HIS A 104 17.509 0.318 9.959 1.00 0.00 C ATOM 1542 CE1 HIS A 104 18.649 -1.202 11.051 1.00 0.00 C ATOM 1543 NE2 HIS A 104 18.493 -0.666 9.832 1.00 0.00 N ATOM 0 H HIS A 104 14.263 0.440 13.780 1.00 0.00 H new ATOM 0 HA HIS A 104 17.111 1.258 13.734 1.00 0.00 H new ATOM 0 HB2 HIS A 104 15.120 1.087 11.488 1.00 0.00 H new ATOM 0 HB3 HIS A 104 16.348 2.337 11.492 1.00 0.00 H new ATOM 0 HD1 HIS A 104 17.754 -0.831 12.928 1.00 0.00 H new ATOM 0 HD2 HIS A 104 17.128 0.939 9.162 1.00 0.00 H new ATOM 0 HE1 HIS A 104 19.336 -2.000 11.289 1.00 0.00 H new ATOM 1551 N HIS A 105 16.317 3.783 13.759 1.00 0.00 N ATOM 1552 CA HIS A 105 16.142 5.059 14.460 1.00 0.00 C ATOM 1553 C HIS A 105 16.043 6.230 13.480 1.00 0.00 C ATOM 1554 O HIS A 105 16.750 6.270 12.473 1.00 0.00 O ATOM 1555 CB HIS A 105 17.337 5.296 15.401 1.00 0.00 C ATOM 1556 CG HIS A 105 17.414 4.433 16.639 1.00 0.00 C ATOM 1557 ND1 HIS A 105 16.745 3.253 16.900 1.00 0.00 N ATOM 1558 CD2 HIS A 105 18.168 4.728 17.744 1.00 0.00 C ATOM 1559 CE1 HIS A 105 17.086 2.860 18.140 1.00 0.00 C ATOM 1560 NE2 HIS A 105 17.948 3.727 18.691 1.00 0.00 N ATOM 0 H HIS A 105 17.074 3.801 13.076 1.00 0.00 H new ATOM 0 HA HIS A 105 15.213 5.004 15.027 1.00 0.00 H new ATOM 0 HB2 HIS A 105 18.253 5.151 14.829 1.00 0.00 H new ATOM 0 HB3 HIS A 105 17.319 6.340 15.715 1.00 0.00 H new ATOM 0 HD2 HIS A 105 18.817 5.583 17.861 1.00 0.00 H new ATOM 0 HE1 HIS A 105 16.716 1.969 18.625 1.00 0.00 H new ATOM 0 HE2 HIS A 105 18.362 3.667 19.621 1.00 0.00 H new ATOM 1568 N TRP A 106 15.207 7.210 13.829 1.00 0.00 N ATOM 1569 CA TRP A 106 15.094 8.515 13.190 1.00 0.00 C ATOM 1570 C TRP A 106 14.666 9.585 14.207 1.00 0.00 C ATOM 1571 O TRP A 106 14.189 9.282 15.302 1.00 0.00 O ATOM 1572 CB TRP A 106 14.123 8.439 11.999 1.00 0.00 C ATOM 1573 CG TRP A 106 14.748 8.825 10.701 1.00 0.00 C ATOM 1574 CD1 TRP A 106 15.555 8.031 9.965 1.00 0.00 C ATOM 1575 CD2 TRP A 106 14.684 10.101 9.998 1.00 0.00 C ATOM 1576 NE1 TRP A 106 15.969 8.715 8.842 1.00 0.00 N ATOM 1577 CE2 TRP A 106 15.492 10.007 8.827 1.00 0.00 C ATOM 1578 CE3 TRP A 106 14.040 11.335 10.238 1.00 0.00 C ATOM 1579 CZ2 TRP A 106 15.672 11.083 7.946 1.00 0.00 C ATOM 1580 CZ3 TRP A 106 14.210 12.422 9.360 1.00 0.00 C ATOM 1581 CH2 TRP A 106 15.033 12.302 8.225 1.00 0.00 C ATOM 0 H TRP A 106 14.557 7.105 14.608 1.00 0.00 H new ATOM 0 HA TRP A 106 16.072 8.807 12.807 1.00 0.00 H new ATOM 0 HB2 TRP A 106 13.736 7.423 11.920 1.00 0.00 H new ATOM 0 HB3 TRP A 106 13.271 9.091 12.192 1.00 0.00 H new ATOM 0 HD1 TRP A 106 15.833 7.018 10.217 1.00 0.00 H new ATOM 0 HE1 TRP A 106 16.557 8.313 8.111 1.00 0.00 H new ATOM 0 HE3 TRP A 106 13.409 11.446 11.107 1.00 0.00 H new ATOM 0 HZ2 TRP A 106 16.292 10.976 7.068 1.00 0.00 H new ATOM 0 HZ3 TRP A 106 13.705 13.356 9.559 1.00 0.00 H new ATOM 0 HH2 TRP A 106 15.173 13.148 7.568 1.00 0.00 H new ATOM 1592 N HIS A 107 14.850 10.851 13.822 1.00 0.00 N ATOM 1593 CA HIS A 107 14.862 12.016 14.707 1.00 0.00 C ATOM 1594 C HIS A 107 14.263 13.212 13.948 1.00 0.00 C ATOM 1595 O HIS A 107 14.821 13.598 12.918 1.00 0.00 O ATOM 1596 CB HIS A 107 16.331 12.246 15.113 1.00 0.00 C ATOM 1597 CG HIS A 107 16.909 11.129 15.961 1.00 0.00 C ATOM 1598 ND1 HIS A 107 16.390 10.644 17.143 1.00 0.00 N ATOM 1599 CD2 HIS A 107 18.010 10.370 15.665 1.00 0.00 C ATOM 1600 CE1 HIS A 107 17.161 9.623 17.550 1.00 0.00 C ATOM 1601 NE2 HIS A 107 18.161 9.418 16.678 1.00 0.00 N ATOM 0 H HIS A 107 15.001 11.101 12.845 1.00 0.00 H new ATOM 0 HA HIS A 107 14.263 11.875 15.607 1.00 0.00 H new ATOM 0 HB2 HIS A 107 16.935 12.357 14.212 1.00 0.00 H new ATOM 0 HB3 HIS A 107 16.404 13.184 15.663 1.00 0.00 H new ATOM 0 HD1 HIS A 107 15.564 10.999 17.624 1.00 0.00 H new ATOM 0 HD2 HIS A 107 18.649 10.486 14.802 1.00 0.00 H new ATOM 0 HE1 HIS A 107 17.000 9.049 18.450 1.00 0.00 H new ATOM 1609 N LYS A 108 13.101 13.746 14.369 1.00 0.00 N ATOM 1610 CA LYS A 108 12.268 14.630 13.531 1.00 0.00 C ATOM 1611 C LYS A 108 11.408 15.624 14.332 1.00 0.00 C ATOM 1612 O LYS A 108 10.289 15.308 14.730 1.00 0.00 O ATOM 1613 CB LYS A 108 11.415 13.751 12.590 1.00 0.00 C ATOM 1614 CG LYS A 108 10.647 14.562 11.533 1.00 0.00 C ATOM 1615 CD LYS A 108 10.078 13.643 10.442 1.00 0.00 C ATOM 1616 CE LYS A 108 9.352 14.458 9.364 1.00 0.00 C ATOM 1617 NZ LYS A 108 9.096 13.643 8.156 1.00 0.00 N ATOM 0 H LYS A 108 12.714 13.577 15.297 1.00 0.00 H new ATOM 0 HA LYS A 108 12.934 15.266 12.948 1.00 0.00 H new ATOM 0 HB2 LYS A 108 12.063 13.033 12.087 1.00 0.00 H new ATOM 0 HB3 LYS A 108 10.705 13.177 13.185 1.00 0.00 H new ATOM 0 HG2 LYS A 108 9.836 15.112 12.010 1.00 0.00 H new ATOM 0 HG3 LYS A 108 11.311 15.300 11.082 1.00 0.00 H new ATOM 0 HD2 LYS A 108 10.885 13.069 9.987 1.00 0.00 H new ATOM 0 HD3 LYS A 108 9.388 12.926 10.888 1.00 0.00 H new ATOM 0 HE2 LYS A 108 8.408 14.831 9.761 1.00 0.00 H new ATOM 0 HE3 LYS A 108 9.951 15.329 9.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 9.325 14.199 7.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 9.689 12.789 8.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 8.093 13.368 8.129 1.00 0.00 H new ATOM 1631 N SER A 109 11.919 16.849 14.485 1.00 0.00 N ATOM 1632 CA SER A 109 11.291 18.037 15.081 1.00 0.00 C ATOM 1633 C SER A 109 10.801 17.829 16.521 1.00 0.00 C ATOM 1634 O SER A 109 9.614 17.589 16.754 1.00 0.00 O ATOM 1635 CB SER A 109 10.218 18.643 14.158 1.00 0.00 C ATOM 1636 OG SER A 109 9.019 17.903 14.209 1.00 0.00 O ATOM 0 H SER A 109 12.866 17.055 14.168 1.00 0.00 H new ATOM 0 HA SER A 109 12.085 18.778 15.171 1.00 0.00 H new ATOM 0 HB2 SER A 109 10.024 19.675 14.452 1.00 0.00 H new ATOM 0 HB3 SER A 109 10.589 18.668 13.133 1.00 0.00 H new ATOM 0 HG SER A 109 8.819 17.668 15.139 1.00 0.00 H new ATOM 1642 N GLY A 110 11.733 17.950 17.471 1.00 0.00 N ATOM 1643 CA GLY A 110 11.537 17.770 18.913 1.00 0.00 C ATOM 1644 C GLY A 110 12.332 16.588 19.482 1.00 0.00 C ATOM 1645 O GLY A 110 11.939 16.024 20.500 1.00 0.00 O ATOM 0 H GLY A 110 12.698 18.189 17.242 1.00 0.00 H new ATOM 0 HA2 GLY A 110 11.832 18.682 19.431 1.00 0.00 H new ATOM 0 HA3 GLY A 110 10.477 17.618 19.114 1.00 0.00 H new ATOM 1649 N SER A 111 13.390 16.160 18.786 1.00 0.00 N ATOM 1650 CA SER A 111 14.089 14.902 19.024 1.00 0.00 C ATOM 1651 C SER A 111 14.914 14.847 20.317 1.00 0.00 C ATOM 1652 O SER A 111 15.456 15.853 20.774 1.00 0.00 O ATOM 1653 CB SER A 111 15.015 14.677 17.830 1.00 0.00 C ATOM 1654 OG SER A 111 15.763 13.504 18.022 1.00 0.00 O ATOM 0 H SER A 111 13.792 16.699 18.019 1.00 0.00 H new ATOM 0 HA SER A 111 13.331 14.127 19.141 1.00 0.00 H new ATOM 0 HB2 SER A 111 14.430 14.600 16.914 1.00 0.00 H new ATOM 0 HB3 SER A 111 15.683 15.530 17.711 1.00 0.00 H new ATOM 0 HG SER A 111 15.176 12.792 18.351 1.00 0.00 H new ATOM 1660 N SER A 112 15.154 13.616 20.795 1.00 0.00 N ATOM 1661 CA SER A 112 16.160 13.267 21.807 1.00 0.00 C ATOM 1662 C SER A 112 17.585 13.728 21.460 1.00 0.00 C ATOM 1663 O SER A 112 18.411 13.834 22.364 1.00 0.00 O ATOM 1664 CB SER A 112 16.192 11.747 22.023 1.00 0.00 C ATOM 1665 OG SER A 112 14.906 11.232 22.298 1.00 0.00 O ATOM 0 H SER A 112 14.629 12.803 20.472 1.00 0.00 H new ATOM 0 HA SER A 112 15.853 13.795 22.710 1.00 0.00 H new ATOM 0 HB2 SER A 112 16.596 11.262 21.135 1.00 0.00 H new ATOM 0 HB3 SER A 112 16.863 11.511 22.849 1.00 0.00 H new ATOM 0 HG SER A 112 14.657 10.586 21.604 1.00 0.00 H new ATOM 1671 N ILE A 113 17.879 14.028 20.182 1.00 0.00 N ATOM 1672 CA ILE A 113 19.159 14.600 19.727 1.00 0.00 C ATOM 1673 C ILE A 113 19.012 16.043 19.192 1.00 0.00 C ATOM 1674 O ILE A 113 19.911 16.568 18.540 1.00 0.00 O ATOM 1675 CB ILE A 113 19.897 13.599 18.801 1.00 0.00 C ATOM 1676 CG1 ILE A 113 21.416 13.889 18.741 1.00 0.00 C ATOM 1677 CG2 ILE A 113 19.293 13.536 17.388 1.00 0.00 C ATOM 1678 CD1 ILE A 113 22.250 12.674 18.316 1.00 0.00 C ATOM 0 H ILE A 113 17.218 13.876 19.420 1.00 0.00 H new ATOM 0 HA ILE A 113 19.818 14.736 20.585 1.00 0.00 H new ATOM 0 HB ILE A 113 19.757 12.615 19.249 1.00 0.00 H new ATOM 0 HG12 ILE A 113 21.595 14.706 18.042 1.00 0.00 H new ATOM 0 HG13 ILE A 113 21.753 14.227 19.721 1.00 0.00 H new ATOM 0 HG21 ILE A 113 19.851 12.819 16.786 1.00 0.00 H new ATOM 0 HG22 ILE A 113 18.251 13.223 17.451 1.00 0.00 H new ATOM 0 HG23 ILE A 113 19.349 14.521 16.924 1.00 0.00 H new ATOM 0 HD11 ILE A 113 23.305 12.946 18.295 1.00 0.00 H new ATOM 0 HD12 ILE A 113 22.099 11.862 19.028 1.00 0.00 H new ATOM 0 HD13 ILE A 113 21.939 12.349 17.323 1.00 0.00 H new ATOM 1690 N GLY A 114 17.892 16.718 19.493 1.00 0.00 N ATOM 1691 CA GLY A 114 17.749 18.173 19.346 1.00 0.00 C ATOM 1692 C GLY A 114 17.260 18.668 17.981 1.00 0.00 C ATOM 1693 O GLY A 114 17.199 19.879 17.777 1.00 0.00 O ATOM 0 H GLY A 114 17.051 16.263 19.849 1.00 0.00 H new ATOM 0 HA2 GLY A 114 17.056 18.528 20.108 1.00 0.00 H new ATOM 0 HA3 GLY A 114 18.714 18.635 19.553 1.00 0.00 H new ATOM 1697 N LYS A 115 16.915 17.757 17.061 1.00 0.00 N ATOM 1698 CA LYS A 115 16.410 18.059 15.711 1.00 0.00 C ATOM 1699 C LYS A 115 14.977 17.557 15.464 1.00 0.00 C ATOM 1700 O LYS A 115 14.209 17.466 16.448 1.00 0.00 O ATOM 1701 CB LYS A 115 17.431 17.575 14.666 1.00 0.00 C ATOM 1702 CG LYS A 115 17.502 16.037 14.542 1.00 0.00 C ATOM 1703 CD LYS A 115 17.974 15.549 13.161 1.00 0.00 C ATOM 1704 CE LYS A 115 17.183 16.116 11.967 1.00 0.00 C ATOM 1705 NZ LYS A 115 15.716 16.038 12.160 1.00 0.00 N ATOM 0 H LYS A 115 16.981 16.755 17.240 1.00 0.00 H new ATOM 0 HA LYS A 115 16.314 19.140 15.612 1.00 0.00 H new ATOM 0 HB2 LYS A 115 17.174 17.999 13.695 1.00 0.00 H new ATOM 0 HB3 LYS A 115 18.418 17.957 14.929 1.00 0.00 H new ATOM 0 HG2 LYS A 115 18.178 15.651 15.305 1.00 0.00 H new ATOM 0 HG3 LYS A 115 16.517 15.619 14.748 1.00 0.00 H new ATOM 0 HD2 LYS A 115 19.025 15.811 13.039 1.00 0.00 H new ATOM 0 HD3 LYS A 115 17.912 14.461 13.136 1.00 0.00 H new ATOM 0 HE2 LYS A 115 17.469 17.156 11.809 1.00 0.00 H new ATOM 0 HE3 LYS A 115 17.456 15.569 11.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 15.240 16.104 11.237 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 15.473 15.133 12.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 15.404 16.822 12.768 1.00 0.00 H new