USER MOD reduce.3.24.130724 H: found=0, std=0, add=908, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 921 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 46 MET CE :methyl -166:sc= 0 (180deg=-0.192) USER MOD Set 1.2: A 50 LYS NZ :NH3+ -158:sc= 0.698 (180deg=0.523) USER MOD Set 2.1: A 36 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Set 2.2: A 67 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 25 HIS : no HE2:sc= 0.327 K(o=0.31,f=-1.8) USER MOD Set 3.2: A 29 GLN : amide:sc= -0.0143 X(o=0.31,f=0.29) USER MOD Set 4.1: A 12 ASN : amide:sc= 1.41 K(o=2.6,f=-8.3!) USER MOD Set 4.2: A 16 LYS NZ :NH3+ -166:sc= 1.16 (180deg=0) USER MOD Set 5.1: A 13 SER OG : rot 180:sc= 0 USER MOD Set 5.2: A 17 GLN : amide:sc= 0.125 X(o=0.12,f=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -128:sc= -0.0101 (180deg=-0.256) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 GLN : amide:sc= -0.119 K(o=-0.12,f=-3.1!) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 GLN : amide:sc= -0.0205 K(o=-0.021,f=-1.8!) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 CYS SG : rot 21:sc= 0.619 USER MOD Single : A 27 TYR OH : rot 180:sc= -0.259 USER MOD Single : A 32 THR OG1 : rot 57:sc= 1.28 USER MOD Single : A 34 GLN : amide:sc= 1.51 K(o=1.5,f=-0.069) USER MOD Single : A 37 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 TYR OH : rot 165:sc= 1.25 USER MOD Single : A 42 SER OG : rot 90:sc= 0.665 USER MOD Single : A 43 ASN : amide:sc= 1.62 K(o=1.6,f=-0.48) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 MET CE :methyl -129:sc= 0 (180deg=-0.426) USER MOD Single : A 61 CYS SG : rot 73:sc= 0.583 USER MOD Single : A 62 GLN : amide:sc= 0.302 X(o=0.3,f=0) USER MOD Single : A 63 GLN : amide:sc= -0.508 K(o=-0.51,f=0.89) USER MOD Single : A 68 THR OG1 : rot -89:sc= 0.802 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0.246 USER MOD Single : A 73 HIS : no HD1:sc=-0.000661 X(o=-0.00066,f=-0.01) USER MOD Single : A 78 SER OG : rot 180:sc= 0.0108 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 GLN : amide:sc= -3.17! K(o=-3.2!,f=-0.14) USER MOD Single : A 82 TYR OH : rot 180:sc= 0.552 USER MOD Single : A 88 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 95 GLN : amide:sc= 0.203 K(o=0.2,f=-7.1!) USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : B -4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B -4 MET N :NH3+ -142:sc= 1.22 (180deg=-0.0617) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.610 12.825 -13.061 1.00 0.00 N ATOM 2 CA MET A 1 13.062 12.714 -13.296 1.00 0.00 C ATOM 3 C MET A 1 13.606 11.452 -12.619 1.00 0.00 C ATOM 4 O MET A 1 13.129 11.061 -11.554 1.00 0.00 O ATOM 5 CB MET A 1 13.800 13.987 -12.856 1.00 0.00 C ATOM 6 CG MET A 1 13.306 15.235 -13.600 1.00 0.00 C ATOM 7 SD MET A 1 14.266 16.728 -13.244 1.00 0.00 S ATOM 8 CE MET A 1 13.327 17.927 -14.226 1.00 0.00 C ATOM 0 H1 MET A 1 11.121 12.959 -13.969 1.00 0.00 H new ATOM 0 H2 MET A 1 11.264 11.956 -12.607 1.00 0.00 H new ATOM 0 H3 MET A 1 11.420 13.638 -12.441 1.00 0.00 H new ATOM 0 HA MET A 1 13.241 12.617 -14.367 1.00 0.00 H new ATOM 0 HB2 MET A 1 13.666 14.129 -11.784 1.00 0.00 H new ATOM 0 HB3 MET A 1 14.869 13.863 -13.030 1.00 0.00 H new ATOM 0 HG2 MET A 1 13.336 15.043 -14.672 1.00 0.00 H new ATOM 0 HG3 MET A 1 12.263 15.414 -13.337 1.00 0.00 H new ATOM 0 HE1 MET A 1 13.780 18.914 -14.126 1.00 0.00 H new ATOM 0 HE2 MET A 1 13.338 17.628 -15.274 1.00 0.00 H new ATOM 0 HE3 MET A 1 12.297 17.962 -13.870 1.00 0.00 H new ATOM 19 N SER A 2 14.578 10.779 -13.244 1.00 0.00 N ATOM 20 CA SER A 2 14.968 9.388 -12.946 1.00 0.00 C ATOM 21 C SER A 2 15.529 9.135 -11.539 1.00 0.00 C ATOM 22 O SER A 2 15.173 8.114 -10.937 1.00 0.00 O ATOM 23 CB SER A 2 15.957 8.870 -14.003 1.00 0.00 C ATOM 24 OG SER A 2 17.141 9.648 -14.053 1.00 0.00 O ATOM 0 H SER A 2 15.133 11.194 -13.992 1.00 0.00 H new ATOM 0 HA SER A 2 14.031 8.832 -12.980 1.00 0.00 H new ATOM 0 HB2 SER A 2 16.214 7.834 -13.782 1.00 0.00 H new ATOM 0 HB3 SER A 2 15.477 8.877 -14.982 1.00 0.00 H new ATOM 0 HG SER A 2 17.743 9.284 -14.736 1.00 0.00 H new ATOM 30 N GLN A 3 16.346 10.036 -10.972 1.00 0.00 N ATOM 31 CA GLN A 3 16.892 9.853 -9.616 1.00 0.00 C ATOM 32 C GLN A 3 15.794 9.857 -8.538 1.00 0.00 C ATOM 33 O GLN A 3 15.917 9.137 -7.542 1.00 0.00 O ATOM 34 CB GLN A 3 17.973 10.903 -9.288 1.00 0.00 C ATOM 35 CG GLN A 3 19.345 10.596 -9.911 1.00 0.00 C ATOM 36 CD GLN A 3 20.461 11.400 -9.238 1.00 0.00 C ATOM 37 OE1 GLN A 3 20.993 11.023 -8.198 1.00 0.00 O ATOM 38 NE2 GLN A 3 20.849 12.531 -9.780 1.00 0.00 N ATOM 0 H GLN A 3 16.643 10.898 -11.430 1.00 0.00 H new ATOM 0 HA GLN A 3 17.359 8.868 -9.607 1.00 0.00 H new ATOM 0 HB2 GLN A 3 17.636 11.879 -9.637 1.00 0.00 H new ATOM 0 HB3 GLN A 3 18.083 10.972 -8.206 1.00 0.00 H new ATOM 0 HG2 GLN A 3 19.557 9.531 -9.819 1.00 0.00 H new ATOM 0 HG3 GLN A 3 19.321 10.826 -10.976 1.00 0.00 H new ATOM 0 HE21 GLN A 3 20.416 12.857 -10.644 1.00 0.00 H new ATOM 0 HE22 GLN A 3 21.583 13.083 -9.337 1.00 0.00 H new ATOM 47 N PHE A 4 14.695 10.589 -8.747 1.00 0.00 N ATOM 48 CA PHE A 4 13.561 10.600 -7.821 1.00 0.00 C ATOM 49 C PHE A 4 12.697 9.332 -7.905 1.00 0.00 C ATOM 50 O PHE A 4 12.304 8.800 -6.866 1.00 0.00 O ATOM 51 CB PHE A 4 12.771 11.914 -7.950 1.00 0.00 C ATOM 52 CG PHE A 4 11.261 11.783 -7.954 1.00 0.00 C ATOM 53 CD1 PHE A 4 10.605 11.305 -9.103 1.00 0.00 C ATOM 54 CD2 PHE A 4 10.507 12.155 -6.824 1.00 0.00 C ATOM 55 CE1 PHE A 4 9.209 11.217 -9.131 1.00 0.00 C ATOM 56 CE2 PHE A 4 9.104 12.044 -6.844 1.00 0.00 C ATOM 57 CZ PHE A 4 8.459 11.584 -8.003 1.00 0.00 C ATOM 0 H PHE A 4 14.568 11.189 -9.562 1.00 0.00 H new ATOM 0 HA PHE A 4 13.957 10.572 -6.806 1.00 0.00 H new ATOM 0 HB2 PHE A 4 13.057 12.569 -7.127 1.00 0.00 H new ATOM 0 HB3 PHE A 4 13.075 12.409 -8.872 1.00 0.00 H new ATOM 0 HD1 PHE A 4 11.181 11.005 -9.966 1.00 0.00 H new ATOM 0 HD2 PHE A 4 11.006 12.526 -5.941 1.00 0.00 H new ATOM 0 HE1 PHE A 4 8.708 10.866 -10.021 1.00 0.00 H new ATOM 0 HE2 PHE A 4 8.526 12.312 -5.972 1.00 0.00 H new ATOM 0 HZ PHE A 4 7.382 11.512 -8.027 1.00 0.00 H new ATOM 67 N GLU A 5 12.451 8.782 -9.105 1.00 0.00 N ATOM 68 CA GLU A 5 11.683 7.528 -9.212 1.00 0.00 C ATOM 69 C GLU A 5 12.504 6.285 -8.816 1.00 0.00 C ATOM 70 O GLU A 5 11.932 5.227 -8.558 1.00 0.00 O ATOM 71 CB GLU A 5 10.871 7.408 -10.515 1.00 0.00 C ATOM 72 CG GLU A 5 11.637 7.457 -11.841 1.00 0.00 C ATOM 73 CD GLU A 5 10.699 7.070 -13.000 1.00 0.00 C ATOM 74 OE1 GLU A 5 10.444 5.858 -13.210 1.00 0.00 O ATOM 75 OE2 GLU A 5 10.118 7.967 -13.662 1.00 0.00 O ATOM 0 H GLU A 5 12.763 9.172 -9.994 1.00 0.00 H new ATOM 0 HA GLU A 5 10.906 7.578 -8.449 1.00 0.00 H new ATOM 0 HB2 GLU A 5 10.320 6.468 -10.481 1.00 0.00 H new ATOM 0 HB3 GLU A 5 10.133 8.210 -10.525 1.00 0.00 H new ATOM 0 HG2 GLU A 5 12.037 8.458 -12.004 1.00 0.00 H new ATOM 0 HG3 GLU A 5 12.487 6.776 -11.806 1.00 0.00 H new ATOM 83 N LYS A 6 13.822 6.446 -8.633 1.00 0.00 N ATOM 84 CA LYS A 6 14.679 5.572 -7.817 1.00 0.00 C ATOM 85 C LYS A 6 14.469 5.815 -6.313 1.00 0.00 C ATOM 86 O LYS A 6 14.108 4.883 -5.595 1.00 0.00 O ATOM 87 CB LYS A 6 16.140 5.755 -8.286 1.00 0.00 C ATOM 88 CG LYS A 6 17.254 5.305 -7.326 1.00 0.00 C ATOM 89 CD LYS A 6 17.290 3.795 -7.069 1.00 0.00 C ATOM 90 CE LYS A 6 18.515 3.488 -6.202 1.00 0.00 C ATOM 91 NZ LYS A 6 18.664 2.040 -5.947 1.00 0.00 N ATOM 0 H LYS A 6 14.339 7.213 -9.063 1.00 0.00 H new ATOM 0 HA LYS A 6 14.407 4.526 -7.961 1.00 0.00 H new ATOM 0 HB2 LYS A 6 16.263 5.212 -9.223 1.00 0.00 H new ATOM 0 HB3 LYS A 6 16.293 6.811 -8.507 1.00 0.00 H new ATOM 0 HG2 LYS A 6 18.216 5.616 -7.733 1.00 0.00 H new ATOM 0 HG3 LYS A 6 17.128 5.821 -6.374 1.00 0.00 H new ATOM 0 HD2 LYS A 6 16.378 3.473 -6.567 1.00 0.00 H new ATOM 0 HD3 LYS A 6 17.345 3.250 -8.011 1.00 0.00 H new ATOM 0 HE2 LYS A 6 19.412 3.863 -6.695 1.00 0.00 H new ATOM 0 HE3 LYS A 6 18.429 4.016 -5.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 19.505 1.876 -5.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 17.820 1.686 -5.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 18.772 1.538 -6.851 1.00 0.00 H new ATOM 105 N GLN A 7 14.661 7.041 -5.815 1.00 0.00 N ATOM 106 CA GLN A 7 14.734 7.299 -4.368 1.00 0.00 C ATOM 107 C GLN A 7 13.417 7.015 -3.616 1.00 0.00 C ATOM 108 O GLN A 7 13.446 6.479 -2.507 1.00 0.00 O ATOM 109 CB GLN A 7 15.303 8.710 -4.125 1.00 0.00 C ATOM 110 CG GLN A 7 14.288 9.855 -4.073 1.00 0.00 C ATOM 111 CD GLN A 7 14.959 11.229 -4.064 1.00 0.00 C ATOM 112 OE1 GLN A 7 15.129 11.877 -5.091 1.00 0.00 O ATOM 113 NE2 GLN A 7 15.389 11.729 -2.930 1.00 0.00 N ATOM 0 H GLN A 7 14.769 7.875 -6.393 1.00 0.00 H new ATOM 0 HA GLN A 7 15.425 6.579 -3.930 1.00 0.00 H new ATOM 0 HB2 GLN A 7 15.853 8.699 -3.184 1.00 0.00 H new ATOM 0 HB3 GLN A 7 16.023 8.928 -4.913 1.00 0.00 H new ATOM 0 HG2 GLN A 7 13.621 9.785 -4.932 1.00 0.00 H new ATOM 0 HG3 GLN A 7 13.671 9.749 -3.181 1.00 0.00 H new ATOM 0 HE21 GLN A 7 15.260 11.209 -2.062 1.00 0.00 H new ATOM 0 HE22 GLN A 7 15.853 12.637 -2.916 1.00 0.00 H new ATOM 122 N LYS A 8 12.260 7.273 -4.245 1.00 0.00 N ATOM 123 CA LYS A 8 10.923 6.980 -3.683 1.00 0.00 C ATOM 124 C LYS A 8 10.644 5.478 -3.491 1.00 0.00 C ATOM 125 O LYS A 8 9.773 5.110 -2.707 1.00 0.00 O ATOM 126 CB LYS A 8 9.854 7.682 -4.555 1.00 0.00 C ATOM 127 CG LYS A 8 9.590 6.924 -5.865 1.00 0.00 C ATOM 128 CD LYS A 8 8.727 7.646 -6.908 1.00 0.00 C ATOM 129 CE LYS A 8 7.274 7.897 -6.478 1.00 0.00 C ATOM 130 NZ LYS A 8 6.404 8.062 -7.665 1.00 0.00 N ATOM 0 H LYS A 8 12.221 7.697 -5.172 1.00 0.00 H new ATOM 0 HA LYS A 8 10.884 7.381 -2.670 1.00 0.00 H new ATOM 0 HB2 LYS A 8 8.925 7.766 -3.991 1.00 0.00 H new ATOM 0 HB3 LYS A 8 10.181 8.696 -4.783 1.00 0.00 H new ATOM 0 HG2 LYS A 8 10.551 6.686 -6.322 1.00 0.00 H new ATOM 0 HG3 LYS A 8 9.110 5.976 -5.621 1.00 0.00 H new ATOM 0 HD2 LYS A 8 9.192 8.603 -7.144 1.00 0.00 H new ATOM 0 HD3 LYS A 8 8.723 7.058 -7.826 1.00 0.00 H new ATOM 0 HE2 LYS A 8 6.919 7.064 -5.872 1.00 0.00 H new ATOM 0 HE3 LYS A 8 7.222 8.789 -5.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 5.425 8.231 -7.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 6.735 8.872 -8.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 6.441 7.199 -8.245 1.00 0.00 H new ATOM 144 N GLU A 9 11.391 4.620 -4.187 1.00 0.00 N ATOM 145 CA GLU A 9 11.310 3.150 -4.107 1.00 0.00 C ATOM 146 C GLU A 9 12.479 2.523 -3.344 1.00 0.00 C ATOM 147 O GLU A 9 12.286 1.467 -2.747 1.00 0.00 O ATOM 148 CB GLU A 9 11.147 2.563 -5.522 1.00 0.00 C ATOM 149 CG GLU A 9 9.952 3.185 -6.270 1.00 0.00 C ATOM 150 CD GLU A 9 9.518 2.433 -7.533 1.00 0.00 C ATOM 151 OE1 GLU A 9 8.412 2.711 -8.042 1.00 0.00 O ATOM 152 OE2 GLU A 9 10.291 1.607 -8.091 1.00 0.00 O ATOM 0 H GLU A 9 12.099 4.936 -4.850 1.00 0.00 H new ATOM 0 HA GLU A 9 10.428 2.895 -3.520 1.00 0.00 H new ATOM 0 HB2 GLU A 9 12.060 2.733 -6.092 1.00 0.00 H new ATOM 0 HB3 GLU A 9 11.010 1.484 -5.453 1.00 0.00 H new ATOM 0 HG2 GLU A 9 9.104 3.239 -5.588 1.00 0.00 H new ATOM 0 HG3 GLU A 9 10.207 4.209 -6.544 1.00 0.00 H new ATOM 160 N GLN A 10 13.626 3.195 -3.202 1.00 0.00 N ATOM 161 CA GLN A 10 14.653 2.821 -2.212 1.00 0.00 C ATOM 162 C GLN A 10 14.064 2.765 -0.785 1.00 0.00 C ATOM 163 O GLN A 10 14.377 1.863 -0.007 1.00 0.00 O ATOM 164 CB GLN A 10 15.824 3.813 -2.316 1.00 0.00 C ATOM 165 CG GLN A 10 17.071 3.356 -1.543 1.00 0.00 C ATOM 166 CD GLN A 10 18.215 4.348 -1.724 1.00 0.00 C ATOM 167 OE1 GLN A 10 18.794 4.479 -2.799 1.00 0.00 O ATOM 168 NE2 GLN A 10 18.555 5.125 -0.721 1.00 0.00 N ATOM 0 H GLN A 10 13.872 4.010 -3.764 1.00 0.00 H new ATOM 0 HA GLN A 10 15.021 1.818 -2.427 1.00 0.00 H new ATOM 0 HB2 GLN A 10 16.084 3.950 -3.366 1.00 0.00 H new ATOM 0 HB3 GLN A 10 15.505 4.784 -1.937 1.00 0.00 H new ATOM 0 HG2 GLN A 10 16.832 3.259 -0.484 1.00 0.00 H new ATOM 0 HG3 GLN A 10 17.380 2.371 -1.892 1.00 0.00 H new ATOM 0 HE21 GLN A 10 18.085 5.031 0.179 1.00 0.00 H new ATOM 0 HE22 GLN A 10 19.289 5.823 -0.842 1.00 0.00 H new ATOM 177 N GLY A 11 13.105 3.651 -0.482 1.00 0.00 N ATOM 178 CA GLY A 11 12.332 3.629 0.763 1.00 0.00 C ATOM 179 C GLY A 11 11.564 2.320 1.021 1.00 0.00 C ATOM 180 O GLY A 11 11.421 1.930 2.180 1.00 0.00 O ATOM 0 H GLY A 11 12.842 4.414 -1.106 1.00 0.00 H new ATOM 0 HA2 GLY A 11 13.009 3.807 1.598 1.00 0.00 H new ATOM 0 HA3 GLY A 11 11.621 4.455 0.747 1.00 0.00 H new ATOM 184 N ASN A 12 11.142 1.579 -0.017 1.00 0.00 N ATOM 185 CA ASN A 12 10.499 0.266 0.160 1.00 0.00 C ATOM 186 C ASN A 12 11.426 -0.734 0.860 1.00 0.00 C ATOM 187 O ASN A 12 11.043 -1.363 1.848 1.00 0.00 O ATOM 188 CB ASN A 12 10.056 -0.321 -1.196 1.00 0.00 C ATOM 189 CG ASN A 12 9.274 -1.622 -1.037 1.00 0.00 C ATOM 190 OD1 ASN A 12 8.436 -1.770 -0.163 1.00 0.00 O ATOM 191 ND2 ASN A 12 9.524 -2.617 -1.852 1.00 0.00 N ATOM 0 H ASN A 12 11.235 1.868 -0.991 1.00 0.00 H new ATOM 0 HA ASN A 12 9.624 0.430 0.789 1.00 0.00 H new ATOM 0 HB2 ASN A 12 9.440 0.409 -1.721 1.00 0.00 H new ATOM 0 HB3 ASN A 12 10.934 -0.501 -1.816 1.00 0.00 H new ATOM 0 HD21 ASN A 12 9.021 -3.498 -1.750 1.00 0.00 H new ATOM 0 HD22 ASN A 12 10.222 -2.510 -2.588 1.00 0.00 H new ATOM 198 N SER A 13 12.659 -0.853 0.366 1.00 0.00 N ATOM 199 CA SER A 13 13.624 -1.781 0.986 1.00 0.00 C ATOM 200 C SER A 13 14.059 -1.302 2.376 1.00 0.00 C ATOM 201 O SER A 13 14.302 -2.130 3.253 1.00 0.00 O ATOM 202 CB SER A 13 14.849 -2.008 0.093 1.00 0.00 C ATOM 203 OG SER A 13 15.688 -3.006 0.648 1.00 0.00 O ATOM 0 H SER A 13 13.013 -0.337 -0.439 1.00 0.00 H new ATOM 0 HA SER A 13 13.109 -2.734 1.102 1.00 0.00 H new ATOM 0 HB2 SER A 13 14.529 -2.307 -0.905 1.00 0.00 H new ATOM 0 HB3 SER A 13 15.405 -1.077 -0.016 1.00 0.00 H new ATOM 0 HG SER A 13 16.465 -3.141 0.066 1.00 0.00 H new ATOM 209 N LEU A 14 14.092 0.010 2.649 1.00 0.00 N ATOM 210 CA LEU A 14 14.344 0.527 4.004 1.00 0.00 C ATOM 211 C LEU A 14 13.231 0.134 4.992 1.00 0.00 C ATOM 212 O LEU A 14 13.535 -0.342 6.089 1.00 0.00 O ATOM 213 CB LEU A 14 14.581 2.046 3.955 1.00 0.00 C ATOM 214 CG LEU A 14 15.934 2.445 3.340 1.00 0.00 C ATOM 215 CD1 LEU A 14 15.969 3.951 3.079 1.00 0.00 C ATOM 216 CD2 LEU A 14 17.088 2.103 4.285 1.00 0.00 C ATOM 0 H LEU A 14 13.947 0.736 1.947 1.00 0.00 H new ATOM 0 HA LEU A 14 15.252 0.060 4.385 1.00 0.00 H new ATOM 0 HB2 LEU A 14 13.780 2.511 3.380 1.00 0.00 H new ATOM 0 HB3 LEU A 14 14.520 2.446 4.967 1.00 0.00 H new ATOM 0 HG LEU A 14 16.047 1.892 2.408 1.00 0.00 H new ATOM 0 HD11 LEU A 14 16.931 4.223 2.644 1.00 0.00 H new ATOM 0 HD12 LEU A 14 15.169 4.219 2.388 1.00 0.00 H new ATOM 0 HD13 LEU A 14 15.832 4.486 4.018 1.00 0.00 H new ATOM 0 HD21 LEU A 14 18.033 2.395 3.826 1.00 0.00 H new ATOM 0 HD22 LEU A 14 16.960 2.640 5.225 1.00 0.00 H new ATOM 0 HD23 LEU A 14 17.095 1.030 4.478 1.00 0.00 H new ATOM 228 N PHE A 15 11.954 0.195 4.587 1.00 0.00 N ATOM 229 CA PHE A 15 10.855 -0.389 5.371 1.00 0.00 C ATOM 230 C PHE A 15 11.002 -1.906 5.556 1.00 0.00 C ATOM 231 O PHE A 15 10.671 -2.416 6.625 1.00 0.00 O ATOM 232 CB PHE A 15 9.488 -0.042 4.752 1.00 0.00 C ATOM 233 CG PHE A 15 8.954 1.302 5.204 1.00 0.00 C ATOM 234 CD1 PHE A 15 8.537 1.469 6.537 1.00 0.00 C ATOM 235 CD2 PHE A 15 8.886 2.387 4.313 1.00 0.00 C ATOM 236 CE1 PHE A 15 8.116 2.726 6.996 1.00 0.00 C ATOM 237 CE2 PHE A 15 8.463 3.648 4.770 1.00 0.00 C ATOM 238 CZ PHE A 15 8.087 3.820 6.115 1.00 0.00 C ATOM 0 H PHE A 15 11.656 0.643 3.720 1.00 0.00 H new ATOM 0 HA PHE A 15 10.909 0.057 6.364 1.00 0.00 H new ATOM 0 HB2 PHE A 15 9.577 -0.044 3.666 1.00 0.00 H new ATOM 0 HB3 PHE A 15 8.770 -0.819 5.014 1.00 0.00 H new ATOM 0 HD1 PHE A 15 8.541 0.625 7.211 1.00 0.00 H new ATOM 0 HD2 PHE A 15 9.159 2.252 3.277 1.00 0.00 H new ATOM 0 HE1 PHE A 15 7.815 2.853 8.025 1.00 0.00 H new ATOM 0 HE2 PHE A 15 8.427 4.485 4.088 1.00 0.00 H new ATOM 0 HZ PHE A 15 7.777 4.792 6.470 1.00 0.00 H new ATOM 248 N LYS A 16 11.532 -2.629 4.562 1.00 0.00 N ATOM 249 CA LYS A 16 11.790 -4.085 4.637 1.00 0.00 C ATOM 250 C LYS A 16 13.027 -4.519 5.434 1.00 0.00 C ATOM 251 O LYS A 16 13.042 -5.643 5.938 1.00 0.00 O ATOM 252 CB LYS A 16 11.757 -4.705 3.229 1.00 0.00 C ATOM 253 CG LYS A 16 10.546 -5.630 3.060 1.00 0.00 C ATOM 254 CD LYS A 16 9.191 -4.964 3.355 1.00 0.00 C ATOM 255 CE LYS A 16 8.857 -3.752 2.487 1.00 0.00 C ATOM 256 NZ LYS A 16 8.180 -4.182 1.251 1.00 0.00 N ATOM 0 H LYS A 16 11.800 -2.220 3.667 1.00 0.00 H new ATOM 0 HA LYS A 16 10.971 -4.484 5.235 1.00 0.00 H new ATOM 0 HB2 LYS A 16 11.721 -3.913 2.481 1.00 0.00 H new ATOM 0 HB3 LYS A 16 12.675 -5.267 3.054 1.00 0.00 H new ATOM 0 HG2 LYS A 16 10.535 -6.011 2.039 1.00 0.00 H new ATOM 0 HG3 LYS A 16 10.666 -6.489 3.720 1.00 0.00 H new ATOM 0 HD2 LYS A 16 8.404 -5.708 3.230 1.00 0.00 H new ATOM 0 HD3 LYS A 16 9.176 -4.657 4.401 1.00 0.00 H new ATOM 0 HE2 LYS A 16 8.217 -3.065 3.040 1.00 0.00 H new ATOM 0 HE3 LYS A 16 9.770 -3.210 2.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 8.170 -3.397 0.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 8.689 -4.991 0.840 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 7.203 -4.463 1.470 1.00 0.00 H new ATOM 270 N GLN A 17 14.018 -3.645 5.608 1.00 0.00 N ATOM 271 CA GLN A 17 15.101 -3.799 6.595 1.00 0.00 C ATOM 272 C GLN A 17 14.640 -3.428 8.013 1.00 0.00 C ATOM 273 O GLN A 17 15.203 -3.916 8.989 1.00 0.00 O ATOM 274 CB GLN A 17 16.286 -2.911 6.196 1.00 0.00 C ATOM 275 CG GLN A 17 17.089 -3.486 5.021 1.00 0.00 C ATOM 276 CD GLN A 17 17.831 -2.373 4.300 1.00 0.00 C ATOM 277 OE1 GLN A 17 19.007 -2.101 4.519 1.00 0.00 O ATOM 278 NE2 GLN A 17 17.135 -1.666 3.442 1.00 0.00 N ATOM 0 H GLN A 17 14.097 -2.790 5.058 1.00 0.00 H new ATOM 0 HA GLN A 17 15.398 -4.848 6.603 1.00 0.00 H new ATOM 0 HB2 GLN A 17 15.918 -1.920 5.929 1.00 0.00 H new ATOM 0 HB3 GLN A 17 16.946 -2.785 7.055 1.00 0.00 H new ATOM 0 HG2 GLN A 17 17.798 -4.230 5.385 1.00 0.00 H new ATOM 0 HG3 GLN A 17 16.420 -3.996 4.328 1.00 0.00 H new ATOM 0 HE21 GLN A 17 16.158 -1.897 3.264 1.00 0.00 H new ATOM 0 HE22 GLN A 17 17.571 -0.885 2.952 1.00 0.00 H new ATOM 287 N GLY A 18 13.632 -2.559 8.123 1.00 0.00 N ATOM 288 CA GLY A 18 13.085 -2.077 9.402 1.00 0.00 C ATOM 289 C GLY A 18 13.627 -0.709 9.835 1.00 0.00 C ATOM 290 O GLY A 18 13.446 -0.299 10.981 1.00 0.00 O ATOM 0 H GLY A 18 13.161 -2.160 7.311 1.00 0.00 H new ATOM 0 HA2 GLY A 18 12.000 -2.018 9.322 1.00 0.00 H new ATOM 0 HA3 GLY A 18 13.308 -2.808 10.179 1.00 0.00 H new ATOM 294 N LEU A 19 14.275 0.012 8.917 1.00 0.00 N ATOM 295 CA LEU A 19 14.847 1.350 9.083 1.00 0.00 C ATOM 296 C LEU A 19 13.784 2.400 8.757 1.00 0.00 C ATOM 297 O LEU A 19 13.920 3.199 7.834 1.00 0.00 O ATOM 298 CB LEU A 19 16.137 1.454 8.244 1.00 0.00 C ATOM 299 CG LEU A 19 17.259 0.483 8.664 1.00 0.00 C ATOM 300 CD1 LEU A 19 18.436 0.602 7.697 1.00 0.00 C ATOM 301 CD2 LEU A 19 17.768 0.772 10.078 1.00 0.00 C ATOM 0 H LEU A 19 14.424 -0.348 7.974 1.00 0.00 H new ATOM 0 HA LEU A 19 15.143 1.539 10.115 1.00 0.00 H new ATOM 0 HB2 LEU A 19 15.890 1.271 7.198 1.00 0.00 H new ATOM 0 HB3 LEU A 19 16.515 2.474 8.309 1.00 0.00 H new ATOM 0 HG LEU A 19 16.838 -0.522 8.643 1.00 0.00 H new ATOM 0 HD11 LEU A 19 19.226 -0.086 7.999 1.00 0.00 H new ATOM 0 HD12 LEU A 19 18.105 0.355 6.688 1.00 0.00 H new ATOM 0 HD13 LEU A 19 18.818 1.623 7.713 1.00 0.00 H new ATOM 0 HD21 LEU A 19 18.557 0.064 10.332 1.00 0.00 H new ATOM 0 HD22 LEU A 19 18.163 1.787 10.122 1.00 0.00 H new ATOM 0 HD23 LEU A 19 16.947 0.671 10.788 1.00 0.00 H new ATOM 313 N TYR A 20 12.673 2.344 9.497 1.00 0.00 N ATOM 314 CA TYR A 20 11.476 3.149 9.233 1.00 0.00 C ATOM 315 C TYR A 20 11.759 4.658 9.231 1.00 0.00 C ATOM 316 O TYR A 20 11.177 5.375 8.422 1.00 0.00 O ATOM 317 CB TYR A 20 10.388 2.858 10.278 1.00 0.00 C ATOM 318 CG TYR A 20 9.789 1.461 10.362 1.00 0.00 C ATOM 319 CD1 TYR A 20 10.085 0.443 9.430 1.00 0.00 C ATOM 320 CD2 TYR A 20 8.870 1.206 11.397 1.00 0.00 C ATOM 321 CE1 TYR A 20 9.453 -0.812 9.531 1.00 0.00 C ATOM 322 CE2 TYR A 20 8.236 -0.045 11.499 1.00 0.00 C ATOM 323 CZ TYR A 20 8.525 -1.061 10.564 1.00 0.00 C ATOM 324 OH TYR A 20 7.919 -2.275 10.656 1.00 0.00 O ATOM 0 H TYR A 20 12.578 1.731 10.307 1.00 0.00 H new ATOM 0 HA TYR A 20 11.137 2.865 8.237 1.00 0.00 H new ATOM 0 HB2 TYR A 20 10.803 3.096 11.258 1.00 0.00 H new ATOM 0 HB3 TYR A 20 9.569 3.555 10.101 1.00 0.00 H new ATOM 0 HD1 TYR A 20 10.797 0.626 8.639 1.00 0.00 H new ATOM 0 HD2 TYR A 20 8.650 1.978 12.119 1.00 0.00 H new ATOM 0 HE1 TYR A 20 9.680 -1.587 8.814 1.00 0.00 H new ATOM 0 HE2 TYR A 20 7.528 -0.228 12.293 1.00 0.00 H new ATOM 0 HH TYR A 20 7.310 -2.279 11.424 1.00 0.00 H new ATOM 334 N ARG A 21 12.653 5.164 10.093 1.00 0.00 N ATOM 335 CA ARG A 21 12.914 6.611 10.197 1.00 0.00 C ATOM 336 C ARG A 21 13.846 7.096 9.083 1.00 0.00 C ATOM 337 O ARG A 21 13.670 8.220 8.614 1.00 0.00 O ATOM 338 CB ARG A 21 13.375 7.005 11.618 1.00 0.00 C ATOM 339 CG ARG A 21 12.243 6.964 12.668 1.00 0.00 C ATOM 340 CD ARG A 21 11.923 5.560 13.202 1.00 0.00 C ATOM 341 NE ARG A 21 10.678 5.525 13.993 1.00 0.00 N ATOM 342 CZ ARG A 21 10.066 4.441 14.432 1.00 0.00 C ATOM 343 NH1 ARG A 21 10.536 3.240 14.270 1.00 0.00 N ATOM 344 NH2 ARG A 21 8.925 4.540 15.041 1.00 0.00 N ATOM 0 H ARG A 21 13.209 4.593 10.730 1.00 0.00 H new ATOM 0 HA ARG A 21 11.973 7.139 10.040 1.00 0.00 H new ATOM 0 HB2 ARG A 21 14.174 6.333 11.931 1.00 0.00 H new ATOM 0 HB3 ARG A 21 13.796 8.010 11.589 1.00 0.00 H new ATOM 0 HG2 ARG A 21 12.518 7.604 13.506 1.00 0.00 H new ATOM 0 HG3 ARG A 21 11.340 7.386 12.227 1.00 0.00 H new ATOM 0 HD2 ARG A 21 11.837 4.868 12.365 1.00 0.00 H new ATOM 0 HD3 ARG A 21 12.751 5.212 13.819 1.00 0.00 H new ATOM 0 HE ARG A 21 10.250 6.422 14.222 1.00 0.00 H new ATOM 0 HH11 ARG A 21 11.421 3.100 13.782 1.00 0.00 H new ATOM 0 HH12 ARG A 21 10.020 2.437 14.631 1.00 0.00 H new ATOM 0 HH21 ARG A 21 8.500 5.456 15.181 1.00 0.00 H new ATOM 0 HH22 ARG A 21 8.453 3.701 15.380 1.00 0.00 H new ATOM 358 N GLU A 22 14.730 6.234 8.570 1.00 0.00 N ATOM 359 CA GLU A 22 15.429 6.445 7.286 1.00 0.00 C ATOM 360 C GLU A 22 14.484 6.333 6.079 1.00 0.00 C ATOM 361 O GLU A 22 14.609 7.117 5.137 1.00 0.00 O ATOM 362 CB GLU A 22 16.566 5.422 7.124 1.00 0.00 C ATOM 363 CG GLU A 22 17.839 5.783 7.905 1.00 0.00 C ATOM 364 CD GLU A 22 18.595 6.982 7.315 1.00 0.00 C ATOM 365 OE1 GLU A 22 19.348 7.639 8.080 1.00 0.00 O ATOM 366 OE2 GLU A 22 18.483 7.259 6.101 1.00 0.00 O ATOM 0 H GLU A 22 14.986 5.362 9.033 1.00 0.00 H new ATOM 0 HA GLU A 22 15.830 7.458 7.311 1.00 0.00 H new ATOM 0 HB2 GLU A 22 16.213 4.445 7.454 1.00 0.00 H new ATOM 0 HB3 GLU A 22 16.813 5.331 6.066 1.00 0.00 H new ATOM 0 HG2 GLU A 22 17.572 6.004 8.939 1.00 0.00 H new ATOM 0 HG3 GLU A 22 18.502 4.918 7.925 1.00 0.00 H new ATOM 374 N ALA A 23 13.521 5.405 6.105 1.00 0.00 N ATOM 375 CA ALA A 23 12.522 5.248 5.040 1.00 0.00 C ATOM 376 C ALA A 23 11.548 6.443 4.949 1.00 0.00 C ATOM 377 O ALA A 23 11.130 6.846 3.862 1.00 0.00 O ATOM 378 CB ALA A 23 11.773 3.934 5.265 1.00 0.00 C ATOM 0 H ALA A 23 13.412 4.738 6.869 1.00 0.00 H new ATOM 0 HA ALA A 23 13.041 5.223 4.082 1.00 0.00 H new ATOM 0 HB1 ALA A 23 11.026 3.802 4.482 1.00 0.00 H new ATOM 0 HB2 ALA A 23 12.479 3.104 5.237 1.00 0.00 H new ATOM 0 HB3 ALA A 23 11.279 3.958 6.236 1.00 0.00 H new ATOM 384 N VAL A 24 11.236 7.064 6.088 1.00 0.00 N ATOM 385 CA VAL A 24 10.531 8.350 6.159 1.00 0.00 C ATOM 386 C VAL A 24 11.418 9.495 5.642 1.00 0.00 C ATOM 387 O VAL A 24 10.944 10.352 4.896 1.00 0.00 O ATOM 388 CB VAL A 24 10.026 8.583 7.598 1.00 0.00 C ATOM 389 CG1 VAL A 24 9.507 10.003 7.809 1.00 0.00 C ATOM 390 CG2 VAL A 24 8.870 7.630 7.932 1.00 0.00 C ATOM 0 H VAL A 24 11.469 6.682 7.005 1.00 0.00 H new ATOM 0 HA VAL A 24 9.660 8.326 5.504 1.00 0.00 H new ATOM 0 HB VAL A 24 10.885 8.405 8.245 1.00 0.00 H new ATOM 0 HG11 VAL A 24 9.163 10.116 8.837 1.00 0.00 H new ATOM 0 HG12 VAL A 24 10.308 10.716 7.614 1.00 0.00 H new ATOM 0 HG13 VAL A 24 8.678 10.193 7.127 1.00 0.00 H new ATOM 0 HG21 VAL A 24 8.531 7.813 8.952 1.00 0.00 H new ATOM 0 HG22 VAL A 24 8.046 7.801 7.239 1.00 0.00 H new ATOM 0 HG23 VAL A 24 9.211 6.599 7.843 1.00 0.00 H new ATOM 400 N HIS A 25 12.722 9.484 5.943 1.00 0.00 N ATOM 401 CA HIS A 25 13.663 10.522 5.503 1.00 0.00 C ATOM 402 C HIS A 25 13.765 10.632 3.964 1.00 0.00 C ATOM 403 O HIS A 25 13.905 11.747 3.450 1.00 0.00 O ATOM 404 CB HIS A 25 15.036 10.272 6.154 1.00 0.00 C ATOM 405 CG HIS A 25 15.979 11.449 6.146 1.00 0.00 C ATOM 406 ND1 HIS A 25 16.187 12.339 5.116 1.00 0.00 N ATOM 407 CD2 HIS A 25 16.823 11.814 7.161 1.00 0.00 C ATOM 408 CE1 HIS A 25 17.122 13.222 5.499 1.00 0.00 C ATOM 409 NE2 HIS A 25 17.539 12.947 6.748 1.00 0.00 N ATOM 0 H HIS A 25 13.157 8.750 6.502 1.00 0.00 H new ATOM 0 HA HIS A 25 13.280 11.488 5.833 1.00 0.00 H new ATOM 0 HB2 HIS A 25 14.878 9.961 7.187 1.00 0.00 H new ATOM 0 HB3 HIS A 25 15.517 9.439 5.640 1.00 0.00 H new ATOM 0 HD1 HIS A 25 15.711 12.329 4.214 1.00 0.00 H new ATOM 0 HD2 HIS A 25 16.920 11.316 8.114 1.00 0.00 H new ATOM 0 HE1 HIS A 25 17.487 14.037 4.892 1.00 0.00 H new ATOM 418 N CYS A 26 13.641 9.527 3.214 1.00 0.00 N ATOM 419 CA CYS A 26 13.592 9.577 1.746 1.00 0.00 C ATOM 420 C CYS A 26 12.259 10.102 1.183 1.00 0.00 C ATOM 421 O CYS A 26 12.305 10.867 0.218 1.00 0.00 O ATOM 422 CB CYS A 26 14.063 8.260 1.100 1.00 0.00 C ATOM 423 SG CYS A 26 13.410 6.757 1.872 1.00 0.00 S ATOM 0 H CYS A 26 13.573 8.586 3.601 1.00 0.00 H new ATOM 0 HA CYS A 26 14.319 10.333 1.451 1.00 0.00 H new ATOM 0 HB2 CYS A 26 13.776 8.265 0.048 1.00 0.00 H new ATOM 0 HB3 CYS A 26 15.152 8.225 1.133 1.00 0.00 H new ATOM 0 HG CYS A 26 12.339 7.047 2.549 1.00 0.00 H new ATOM 429 N TYR A 27 11.091 9.833 1.795 1.00 0.00 N ATOM 430 CA TYR A 27 9.861 10.531 1.363 1.00 0.00 C ATOM 431 C TYR A 27 9.917 12.035 1.686 1.00 0.00 C ATOM 432 O TYR A 27 9.448 12.867 0.905 1.00 0.00 O ATOM 433 CB TYR A 27 8.554 9.834 1.792 1.00 0.00 C ATOM 434 CG TYR A 27 7.951 10.079 3.171 1.00 0.00 C ATOM 435 CD1 TYR A 27 7.600 11.372 3.618 1.00 0.00 C ATOM 436 CD2 TYR A 27 7.588 8.967 3.953 1.00 0.00 C ATOM 437 CE1 TYR A 27 7.005 11.556 4.880 1.00 0.00 C ATOM 438 CE2 TYR A 27 6.904 9.139 5.170 1.00 0.00 C ATOM 439 CZ TYR A 27 6.653 10.437 5.660 1.00 0.00 C ATOM 440 OH TYR A 27 6.087 10.601 6.885 1.00 0.00 O ATOM 0 H TYR A 27 10.970 9.167 2.558 1.00 0.00 H new ATOM 0 HA TYR A 27 9.832 10.457 0.276 1.00 0.00 H new ATOM 0 HB2 TYR A 27 7.793 10.102 1.059 1.00 0.00 H new ATOM 0 HB3 TYR A 27 8.720 8.760 1.702 1.00 0.00 H new ATOM 0 HD1 TYR A 27 7.790 12.227 2.986 1.00 0.00 H new ATOM 0 HD2 TYR A 27 7.837 7.972 3.616 1.00 0.00 H new ATOM 0 HE1 TYR A 27 6.819 12.553 5.250 1.00 0.00 H new ATOM 0 HE2 TYR A 27 6.571 8.277 5.729 1.00 0.00 H new ATOM 0 HH TYR A 27 5.908 9.723 7.283 1.00 0.00 H new ATOM 450 N ASP A 28 10.561 12.408 2.799 1.00 0.00 N ATOM 451 CA ASP A 28 10.781 13.807 3.175 1.00 0.00 C ATOM 452 C ASP A 28 11.650 14.549 2.143 1.00 0.00 C ATOM 453 O ASP A 28 11.450 15.745 1.938 1.00 0.00 O ATOM 454 CB ASP A 28 11.384 13.871 4.588 1.00 0.00 C ATOM 455 CG ASP A 28 11.352 15.278 5.190 1.00 0.00 C ATOM 456 OD1 ASP A 28 10.344 15.632 5.849 1.00 0.00 O ATOM 457 OD2 ASP A 28 12.358 16.023 5.075 1.00 0.00 O ATOM 0 H ASP A 28 10.946 11.741 3.468 1.00 0.00 H new ATOM 0 HA ASP A 28 9.820 14.321 3.184 1.00 0.00 H new ATOM 0 HB2 ASP A 28 10.838 13.190 5.241 1.00 0.00 H new ATOM 0 HB3 ASP A 28 12.415 13.520 4.553 1.00 0.00 H new ATOM 463 N GLN A 29 12.549 13.869 1.413 1.00 0.00 N ATOM 464 CA GLN A 29 13.310 14.504 0.323 1.00 0.00 C ATOM 465 C GLN A 29 12.422 14.878 -0.876 1.00 0.00 C ATOM 466 O GLN A 29 12.657 15.910 -1.509 1.00 0.00 O ATOM 467 CB GLN A 29 14.467 13.622 -0.176 1.00 0.00 C ATOM 468 CG GLN A 29 15.547 13.191 0.829 1.00 0.00 C ATOM 469 CD GLN A 29 16.008 14.273 1.796 1.00 0.00 C ATOM 470 OE1 GLN A 29 17.018 14.940 1.601 1.00 0.00 O ATOM 471 NE2 GLN A 29 15.286 14.480 2.875 1.00 0.00 N ATOM 0 H GLN A 29 12.767 12.883 1.557 1.00 0.00 H new ATOM 0 HA GLN A 29 13.719 15.416 0.759 1.00 0.00 H new ATOM 0 HB2 GLN A 29 14.034 12.718 -0.605 1.00 0.00 H new ATOM 0 HB3 GLN A 29 14.963 14.154 -0.988 1.00 0.00 H new ATOM 0 HG2 GLN A 29 15.166 12.349 1.407 1.00 0.00 H new ATOM 0 HG3 GLN A 29 16.413 12.831 0.274 1.00 0.00 H new ATOM 0 HE21 GLN A 29 14.445 13.927 3.040 1.00 0.00 H new ATOM 0 HE22 GLN A 29 15.567 15.194 3.547 1.00 0.00 H new ATOM 480 N LEU A 30 11.378 14.091 -1.180 1.00 0.00 N ATOM 481 CA LEU A 30 10.452 14.412 -2.281 1.00 0.00 C ATOM 482 C LEU A 30 9.567 15.596 -1.867 1.00 0.00 C ATOM 483 O LEU A 30 9.427 16.547 -2.625 1.00 0.00 O ATOM 484 CB LEU A 30 9.598 13.205 -2.757 1.00 0.00 C ATOM 485 CG LEU A 30 10.086 11.796 -2.388 1.00 0.00 C ATOM 486 CD1 LEU A 30 9.031 10.752 -2.745 1.00 0.00 C ATOM 487 CD2 LEU A 30 11.383 11.386 -3.077 1.00 0.00 C ATOM 0 H LEU A 30 11.153 13.230 -0.681 1.00 0.00 H new ATOM 0 HA LEU A 30 11.058 14.684 -3.145 1.00 0.00 H new ATOM 0 HB2 LEU A 30 8.592 13.327 -2.356 1.00 0.00 H new ATOM 0 HB3 LEU A 30 9.517 13.258 -3.843 1.00 0.00 H new ATOM 0 HG LEU A 30 10.269 11.837 -1.314 1.00 0.00 H new ATOM 0 HD11 LEU A 30 9.395 9.760 -2.476 1.00 0.00 H new ATOM 0 HD12 LEU A 30 8.112 10.962 -2.198 1.00 0.00 H new ATOM 0 HD13 LEU A 30 8.832 10.787 -3.816 1.00 0.00 H new ATOM 0 HD21 LEU A 30 11.659 10.379 -2.763 1.00 0.00 H new ATOM 0 HD22 LEU A 30 11.242 11.404 -4.158 1.00 0.00 H new ATOM 0 HD23 LEU A 30 12.176 12.082 -2.803 1.00 0.00 H new ATOM 499 N ILE A 31 9.042 15.590 -0.634 1.00 0.00 N ATOM 500 CA ILE A 31 8.207 16.679 -0.084 1.00 0.00 C ATOM 501 C ILE A 31 9.033 17.958 0.205 1.00 0.00 C ATOM 502 O ILE A 31 8.496 19.068 0.210 1.00 0.00 O ATOM 503 CB ILE A 31 7.397 16.148 1.130 1.00 0.00 C ATOM 504 CG1 ILE A 31 6.466 14.988 0.674 1.00 0.00 C ATOM 505 CG2 ILE A 31 6.571 17.267 1.795 1.00 0.00 C ATOM 506 CD1 ILE A 31 5.590 14.373 1.772 1.00 0.00 C ATOM 0 H ILE A 31 9.184 14.821 0.021 1.00 0.00 H new ATOM 0 HA ILE A 31 7.482 16.997 -0.834 1.00 0.00 H new ATOM 0 HB ILE A 31 8.104 15.776 1.872 1.00 0.00 H new ATOM 0 HG12 ILE A 31 5.817 15.357 -0.120 1.00 0.00 H new ATOM 0 HG13 ILE A 31 7.082 14.200 0.241 1.00 0.00 H new ATOM 0 HG21 ILE A 31 6.018 16.858 2.640 1.00 0.00 H new ATOM 0 HG22 ILE A 31 7.239 18.053 2.145 1.00 0.00 H new ATOM 0 HG23 ILE A 31 5.871 17.682 1.070 1.00 0.00 H new ATOM 0 HD11 ILE A 31 4.981 13.575 1.347 1.00 0.00 H new ATOM 0 HD12 ILE A 31 6.225 13.965 2.559 1.00 0.00 H new ATOM 0 HD13 ILE A 31 4.940 15.141 2.192 1.00 0.00 H new ATOM 518 N THR A 32 10.359 17.846 0.350 1.00 0.00 N ATOM 519 CA THR A 32 11.273 19.006 0.372 1.00 0.00 C ATOM 520 C THR A 32 11.352 19.684 -1.003 1.00 0.00 C ATOM 521 O THR A 32 11.354 20.911 -1.068 1.00 0.00 O ATOM 522 CB THR A 32 12.681 18.618 0.865 1.00 0.00 C ATOM 523 OG1 THR A 32 12.604 18.069 2.165 1.00 0.00 O ATOM 524 CG2 THR A 32 13.629 19.810 0.987 1.00 0.00 C ATOM 0 H THR A 32 10.834 16.950 0.456 1.00 0.00 H new ATOM 0 HA THR A 32 10.857 19.721 1.082 1.00 0.00 H new ATOM 0 HB THR A 32 13.060 17.916 0.123 1.00 0.00 H new ATOM 0 HG1 THR A 32 11.997 17.299 2.160 1.00 0.00 H new ATOM 0 HG21 THR A 32 14.602 19.467 1.339 1.00 0.00 H new ATOM 0 HG22 THR A 32 13.742 20.286 0.013 1.00 0.00 H new ATOM 0 HG23 THR A 32 13.220 20.529 1.697 1.00 0.00 H new ATOM 532 N ALA A 33 11.378 18.923 -2.103 1.00 0.00 N ATOM 533 CA ALA A 33 11.498 19.463 -3.465 1.00 0.00 C ATOM 534 C ALA A 33 10.148 19.775 -4.153 1.00 0.00 C ATOM 535 O ALA A 33 10.072 20.658 -5.016 1.00 0.00 O ATOM 536 CB ALA A 33 12.307 18.450 -4.280 1.00 0.00 C ATOM 0 H ALA A 33 11.316 17.905 -2.074 1.00 0.00 H new ATOM 0 HA ALA A 33 11.996 20.431 -3.406 1.00 0.00 H new ATOM 0 HB1 ALA A 33 12.420 18.813 -5.302 1.00 0.00 H new ATOM 0 HB2 ALA A 33 13.291 18.323 -3.829 1.00 0.00 H new ATOM 0 HB3 ALA A 33 11.786 17.493 -4.291 1.00 0.00 H new ATOM 542 N GLN A 34 9.085 19.055 -3.785 1.00 0.00 N ATOM 543 CA GLN A 34 7.774 19.043 -4.449 1.00 0.00 C ATOM 544 C GLN A 34 6.607 19.196 -3.434 1.00 0.00 C ATOM 545 O GLN A 34 5.769 18.294 -3.328 1.00 0.00 O ATOM 546 CB GLN A 34 7.659 17.735 -5.262 1.00 0.00 C ATOM 547 CG GLN A 34 8.747 17.474 -6.315 1.00 0.00 C ATOM 548 CD GLN A 34 8.603 16.062 -6.876 1.00 0.00 C ATOM 549 OE1 GLN A 34 7.650 15.722 -7.564 1.00 0.00 O ATOM 550 NE2 GLN A 34 9.504 15.157 -6.571 1.00 0.00 N ATOM 0 H GLN A 34 9.114 18.433 -2.977 1.00 0.00 H new ATOM 0 HA GLN A 34 7.697 19.900 -5.118 1.00 0.00 H new ATOM 0 HB2 GLN A 34 7.657 16.899 -4.562 1.00 0.00 H new ATOM 0 HB3 GLN A 34 6.692 17.732 -5.765 1.00 0.00 H new ATOM 0 HG2 GLN A 34 8.668 18.204 -7.121 1.00 0.00 H new ATOM 0 HG3 GLN A 34 9.734 17.598 -5.869 1.00 0.00 H new ATOM 0 HE21 GLN A 34 10.309 15.412 -5.999 1.00 0.00 H new ATOM 0 HE22 GLN A 34 9.399 14.199 -6.906 1.00 0.00 H new ATOM 559 N PRO A 35 6.515 20.299 -2.653 1.00 0.00 N ATOM 560 CA PRO A 35 5.564 20.418 -1.534 1.00 0.00 C ATOM 561 C PRO A 35 4.078 20.292 -1.898 1.00 0.00 C ATOM 562 O PRO A 35 3.254 19.920 -1.058 1.00 0.00 O ATOM 563 CB PRO A 35 5.805 21.813 -0.949 1.00 0.00 C ATOM 564 CG PRO A 35 7.250 22.126 -1.318 1.00 0.00 C ATOM 565 CD PRO A 35 7.357 21.491 -2.701 1.00 0.00 C ATOM 0 HA PRO A 35 5.747 19.588 -0.852 1.00 0.00 H new ATOM 0 HB2 PRO A 35 5.118 22.546 -1.371 1.00 0.00 H new ATOM 0 HB3 PRO A 35 5.658 21.823 0.131 1.00 0.00 H new ATOM 0 HG2 PRO A 35 7.444 23.198 -1.343 1.00 0.00 H new ATOM 0 HG3 PRO A 35 7.957 21.691 -0.611 1.00 0.00 H new ATOM 0 HD2 PRO A 35 7.018 22.179 -3.475 1.00 0.00 H new ATOM 0 HD3 PRO A 35 8.390 21.232 -2.934 1.00 0.00 H new ATOM 573 N GLN A 36 3.726 20.629 -3.140 1.00 0.00 N ATOM 574 CA GLN A 36 2.353 20.759 -3.628 1.00 0.00 C ATOM 575 C GLN A 36 1.948 19.594 -4.561 1.00 0.00 C ATOM 576 O GLN A 36 0.865 19.622 -5.149 1.00 0.00 O ATOM 577 CB GLN A 36 2.230 22.140 -4.315 1.00 0.00 C ATOM 578 CG GLN A 36 0.822 22.755 -4.267 1.00 0.00 C ATOM 579 CD GLN A 36 0.471 23.327 -2.897 1.00 0.00 C ATOM 580 OE1 GLN A 36 -0.194 22.704 -2.082 1.00 0.00 O ATOM 581 NE2 GLN A 36 0.898 24.528 -2.578 1.00 0.00 N ATOM 0 H GLN A 36 4.418 20.827 -3.862 1.00 0.00 H new ATOM 0 HA GLN A 36 1.655 20.700 -2.793 1.00 0.00 H new ATOM 0 HB2 GLN A 36 2.930 22.830 -3.843 1.00 0.00 H new ATOM 0 HB3 GLN A 36 2.534 22.041 -5.357 1.00 0.00 H new ATOM 0 HG2 GLN A 36 0.750 23.545 -5.014 1.00 0.00 H new ATOM 0 HG3 GLN A 36 0.089 21.994 -4.536 1.00 0.00 H new ATOM 0 HE21 GLN A 36 1.454 25.065 -3.243 1.00 0.00 H new ATOM 0 HE22 GLN A 36 0.673 24.923 -1.665 1.00 0.00 H new ATOM 590 N ASN A 37 2.806 18.583 -4.751 1.00 0.00 N ATOM 591 CA ASN A 37 2.569 17.481 -5.691 1.00 0.00 C ATOM 592 C ASN A 37 1.898 16.260 -5.030 1.00 0.00 C ATOM 593 O ASN A 37 2.440 15.727 -4.057 1.00 0.00 O ATOM 594 CB ASN A 37 3.892 17.047 -6.333 1.00 0.00 C ATOM 595 CG ASN A 37 4.246 17.843 -7.568 1.00 0.00 C ATOM 596 OD1 ASN A 37 4.925 18.859 -7.519 1.00 0.00 O ATOM 597 ND2 ASN A 37 3.769 17.406 -8.710 1.00 0.00 N ATOM 0 H ASN A 37 3.692 18.507 -4.252 1.00 0.00 H new ATOM 0 HA ASN A 37 1.882 17.859 -6.449 1.00 0.00 H new ATOM 0 HB2 ASN A 37 4.694 17.149 -5.601 1.00 0.00 H new ATOM 0 HB3 ASN A 37 3.832 15.991 -6.595 1.00 0.00 H new ATOM 0 HD21 ASN A 37 3.963 17.915 -9.572 1.00 0.00 H new ATOM 0 HD22 ASN A 37 3.204 16.557 -8.735 1.00 0.00 H new ATOM 604 N PRO A 38 0.810 15.707 -5.604 1.00 0.00 N ATOM 605 CA PRO A 38 0.193 14.473 -5.109 1.00 0.00 C ATOM 606 C PRO A 38 1.137 13.253 -5.108 1.00 0.00 C ATOM 607 O PRO A 38 0.954 12.368 -4.277 1.00 0.00 O ATOM 608 CB PRO A 38 -1.056 14.259 -5.969 1.00 0.00 C ATOM 609 CG PRO A 38 -0.792 15.064 -7.240 1.00 0.00 C ATOM 610 CD PRO A 38 0.065 16.222 -6.746 1.00 0.00 C ATOM 0 HA PRO A 38 -0.062 14.577 -4.054 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -1.207 13.203 -6.193 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -1.953 14.608 -5.458 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -0.272 14.470 -7.992 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -1.719 15.414 -7.695 1.00 0.00 H new ATOM 0 HD2 PRO A 38 0.740 16.570 -7.528 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -0.554 17.071 -6.458 1.00 0.00 H new ATOM 618 N VAL A 39 2.187 13.226 -5.943 1.00 0.00 N ATOM 619 CA VAL A 39 3.233 12.174 -5.942 1.00 0.00 C ATOM 620 C VAL A 39 4.006 12.062 -4.618 1.00 0.00 C ATOM 621 O VAL A 39 4.432 10.971 -4.242 1.00 0.00 O ATOM 622 CB VAL A 39 4.193 12.393 -7.134 1.00 0.00 C ATOM 623 CG1 VAL A 39 5.400 13.290 -6.832 1.00 0.00 C ATOM 624 CG2 VAL A 39 4.708 11.051 -7.651 1.00 0.00 C ATOM 0 H VAL A 39 2.342 13.943 -6.652 1.00 0.00 H new ATOM 0 HA VAL A 39 2.719 11.219 -6.052 1.00 0.00 H new ATOM 0 HB VAL A 39 3.594 12.911 -7.883 1.00 0.00 H new ATOM 0 HG11 VAL A 39 6.015 13.385 -7.727 1.00 0.00 H new ATOM 0 HG12 VAL A 39 5.052 14.276 -6.524 1.00 0.00 H new ATOM 0 HG13 VAL A 39 5.991 12.847 -6.031 1.00 0.00 H new ATOM 0 HG21 VAL A 39 5.383 11.219 -8.490 1.00 0.00 H new ATOM 0 HG22 VAL A 39 5.242 10.535 -6.853 1.00 0.00 H new ATOM 0 HG23 VAL A 39 3.867 10.440 -7.979 1.00 0.00 H new ATOM 634 N GLY A 40 4.168 13.167 -3.877 1.00 0.00 N ATOM 635 CA GLY A 40 4.772 13.138 -2.542 1.00 0.00 C ATOM 636 C GLY A 40 3.830 12.493 -1.525 1.00 0.00 C ATOM 637 O GLY A 40 4.238 11.643 -0.734 1.00 0.00 O ATOM 0 H GLY A 40 3.886 14.098 -4.185 1.00 0.00 H new ATOM 0 HA2 GLY A 40 5.710 12.584 -2.576 1.00 0.00 H new ATOM 0 HA3 GLY A 40 5.013 14.153 -2.226 1.00 0.00 H new ATOM 641 N TYR A 41 2.542 12.836 -1.602 1.00 0.00 N ATOM 642 CA TYR A 41 1.516 12.321 -0.700 1.00 0.00 C ATOM 643 C TYR A 41 1.129 10.861 -0.999 1.00 0.00 C ATOM 644 O TYR A 41 0.823 10.125 -0.063 1.00 0.00 O ATOM 645 CB TYR A 41 0.304 13.267 -0.702 1.00 0.00 C ATOM 646 CG TYR A 41 0.662 14.679 -0.265 1.00 0.00 C ATOM 647 CD1 TYR A 41 0.899 14.960 1.096 1.00 0.00 C ATOM 648 CD2 TYR A 41 0.835 15.694 -1.225 1.00 0.00 C ATOM 649 CE1 TYR A 41 1.350 16.237 1.487 1.00 0.00 C ATOM 650 CE2 TYR A 41 1.303 16.967 -0.842 1.00 0.00 C ATOM 651 CZ TYR A 41 1.575 17.236 0.516 1.00 0.00 C ATOM 652 OH TYR A 41 2.058 18.452 0.890 1.00 0.00 O ATOM 0 H TYR A 41 2.181 13.486 -2.300 1.00 0.00 H new ATOM 0 HA TYR A 41 1.933 12.296 0.307 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -0.126 13.299 -1.703 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -0.464 12.869 -0.038 1.00 0.00 H new ATOM 0 HD1 TYR A 41 0.735 14.195 1.841 1.00 0.00 H new ATOM 0 HD2 TYR A 41 0.608 15.496 -2.262 1.00 0.00 H new ATOM 0 HE1 TYR A 41 1.524 16.451 2.531 1.00 0.00 H new ATOM 0 HE2 TYR A 41 1.453 17.735 -1.586 1.00 0.00 H new ATOM 0 HH TYR A 41 2.380 18.933 0.099 1.00 0.00 H new ATOM 662 N SER A 42 1.210 10.386 -2.252 1.00 0.00 N ATOM 663 CA SER A 42 1.008 8.962 -2.574 1.00 0.00 C ATOM 664 C SER A 42 2.117 8.095 -1.971 1.00 0.00 C ATOM 665 O SER A 42 1.826 7.055 -1.373 1.00 0.00 O ATOM 666 CB SER A 42 0.864 8.722 -4.088 1.00 0.00 C ATOM 667 OG SER A 42 2.099 8.738 -4.784 1.00 0.00 O ATOM 0 H SER A 42 1.415 10.970 -3.063 1.00 0.00 H new ATOM 0 HA SER A 42 0.065 8.662 -2.118 1.00 0.00 H new ATOM 0 HB2 SER A 42 0.377 7.760 -4.251 1.00 0.00 H new ATOM 0 HB3 SER A 42 0.210 9.486 -4.508 1.00 0.00 H new ATOM 0 HG SER A 42 2.476 7.833 -4.803 1.00 0.00 H new ATOM 673 N ASN A 43 3.373 8.546 -2.065 1.00 0.00 N ATOM 674 CA ASN A 43 4.521 7.861 -1.477 1.00 0.00 C ATOM 675 C ASN A 43 4.474 7.901 0.063 1.00 0.00 C ATOM 676 O ASN A 43 4.598 6.854 0.697 1.00 0.00 O ATOM 677 CB ASN A 43 5.806 8.463 -2.063 1.00 0.00 C ATOM 678 CG ASN A 43 7.014 7.598 -1.757 1.00 0.00 C ATOM 679 OD1 ASN A 43 7.802 7.891 -0.876 1.00 0.00 O ATOM 680 ND2 ASN A 43 7.188 6.515 -2.478 1.00 0.00 N ATOM 0 H ASN A 43 3.619 9.405 -2.557 1.00 0.00 H new ATOM 0 HA ASN A 43 4.497 6.802 -1.734 1.00 0.00 H new ATOM 0 HB2 ASN A 43 5.699 8.572 -3.142 1.00 0.00 H new ATOM 0 HB3 ASN A 43 5.960 9.462 -1.656 1.00 0.00 H new ATOM 0 HD21 ASN A 43 7.990 5.909 -2.303 1.00 0.00 H new ATOM 0 HD22 ASN A 43 6.522 6.279 -3.213 1.00 0.00 H new ATOM 687 N LYS A 44 4.159 9.061 0.664 1.00 0.00 N ATOM 688 CA LYS A 44 3.933 9.200 2.117 1.00 0.00 C ATOM 689 C LYS A 44 2.789 8.308 2.619 1.00 0.00 C ATOM 690 O LYS A 44 2.950 7.643 3.638 1.00 0.00 O ATOM 691 CB LYS A 44 3.728 10.685 2.472 1.00 0.00 C ATOM 692 CG LYS A 44 3.511 10.908 3.979 1.00 0.00 C ATOM 693 CD LYS A 44 3.545 12.396 4.361 1.00 0.00 C ATOM 694 CE LYS A 44 3.410 12.558 5.884 1.00 0.00 C ATOM 695 NZ LYS A 44 3.456 13.980 6.298 1.00 0.00 N ATOM 0 H LYS A 44 4.053 9.937 0.153 1.00 0.00 H new ATOM 0 HA LYS A 44 4.822 8.846 2.639 1.00 0.00 H new ATOM 0 HB2 LYS A 44 4.597 11.256 2.145 1.00 0.00 H new ATOM 0 HB3 LYS A 44 2.868 11.071 1.924 1.00 0.00 H new ATOM 0 HG2 LYS A 44 2.551 10.482 4.272 1.00 0.00 H new ATOM 0 HG3 LYS A 44 4.280 10.375 4.537 1.00 0.00 H new ATOM 0 HD2 LYS A 44 4.479 12.844 4.022 1.00 0.00 H new ATOM 0 HD3 LYS A 44 2.736 12.926 3.859 1.00 0.00 H new ATOM 0 HE2 LYS A 44 2.470 12.115 6.214 1.00 0.00 H new ATOM 0 HE3 LYS A 44 4.212 12.010 6.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 3.362 14.044 7.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 4.363 14.397 6.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 2.676 14.498 5.846 1.00 0.00 H new ATOM 709 N ALA A 45 1.672 8.206 1.895 1.00 0.00 N ATOM 710 CA ALA A 45 0.587 7.283 2.238 1.00 0.00 C ATOM 711 C ALA A 45 1.029 5.807 2.185 1.00 0.00 C ATOM 712 O ALA A 45 0.637 5.022 3.051 1.00 0.00 O ATOM 713 CB ALA A 45 -0.613 7.555 1.321 1.00 0.00 C ATOM 0 H ALA A 45 1.494 8.759 1.057 1.00 0.00 H new ATOM 0 HA ALA A 45 0.294 7.462 3.272 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -1.424 6.871 1.571 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -0.950 8.583 1.457 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -0.319 7.404 0.282 1.00 0.00 H new ATOM 719 N MET A 46 1.885 5.427 1.226 1.00 0.00 N ATOM 720 CA MET A 46 2.443 4.071 1.151 1.00 0.00 C ATOM 721 C MET A 46 3.440 3.797 2.288 1.00 0.00 C ATOM 722 O MET A 46 3.401 2.726 2.888 1.00 0.00 O ATOM 723 CB MET A 46 3.064 3.808 -0.230 1.00 0.00 C ATOM 724 CG MET A 46 2.862 2.358 -0.694 1.00 0.00 C ATOM 725 SD MET A 46 1.149 1.870 -1.000 1.00 0.00 S ATOM 726 CE MET A 46 1.405 0.189 -1.625 1.00 0.00 C ATOM 0 H MET A 46 2.208 6.048 0.484 1.00 0.00 H new ATOM 0 HA MET A 46 1.620 3.369 1.283 1.00 0.00 H new ATOM 0 HB2 MET A 46 2.621 4.486 -0.960 1.00 0.00 H new ATOM 0 HB3 MET A 46 4.130 4.030 -0.195 1.00 0.00 H new ATOM 0 HG2 MET A 46 3.434 2.205 -1.609 1.00 0.00 H new ATOM 0 HG3 MET A 46 3.282 1.692 0.060 1.00 0.00 H new ATOM 0 HE1 MET A 46 0.488 -0.169 -2.093 1.00 0.00 H new ATOM 0 HE2 MET A 46 2.210 0.193 -2.360 1.00 0.00 H new ATOM 0 HE3 MET A 46 1.672 -0.470 -0.799 1.00 0.00 H new ATOM 736 N ALA A 47 4.276 4.777 2.647 1.00 0.00 N ATOM 737 CA ALA A 47 5.158 4.707 3.812 1.00 0.00 C ATOM 738 C ALA A 47 4.363 4.555 5.120 1.00 0.00 C ATOM 739 O ALA A 47 4.702 3.714 5.947 1.00 0.00 O ATOM 740 CB ALA A 47 6.039 5.967 3.847 1.00 0.00 C ATOM 0 H ALA A 47 4.359 5.651 2.128 1.00 0.00 H new ATOM 0 HA ALA A 47 5.788 3.822 3.724 1.00 0.00 H new ATOM 0 HB1 ALA A 47 6.700 5.925 4.712 1.00 0.00 H new ATOM 0 HB2 ALA A 47 6.636 6.019 2.936 1.00 0.00 H new ATOM 0 HB3 ALA A 47 5.406 6.852 3.917 1.00 0.00 H new ATOM 746 N LEU A 48 3.262 5.297 5.286 1.00 0.00 N ATOM 747 CA LEU A 48 2.384 5.187 6.455 1.00 0.00 C ATOM 748 C LEU A 48 1.802 3.769 6.592 1.00 0.00 C ATOM 749 O LEU A 48 1.885 3.198 7.680 1.00 0.00 O ATOM 750 CB LEU A 48 1.293 6.276 6.389 1.00 0.00 C ATOM 751 CG LEU A 48 1.811 7.691 6.730 1.00 0.00 C ATOM 752 CD1 LEU A 48 0.809 8.750 6.261 1.00 0.00 C ATOM 753 CD2 LEU A 48 2.028 7.870 8.235 1.00 0.00 C ATOM 0 H LEU A 48 2.954 5.995 4.609 1.00 0.00 H new ATOM 0 HA LEU A 48 2.969 5.356 7.359 1.00 0.00 H new ATOM 0 HB2 LEU A 48 0.863 6.287 5.388 1.00 0.00 H new ATOM 0 HB3 LEU A 48 0.490 6.016 7.078 1.00 0.00 H new ATOM 0 HG LEU A 48 2.765 7.812 6.217 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.186 9.742 6.508 1.00 0.00 H new ATOM 0 HD12 LEU A 48 0.674 8.671 5.182 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -0.148 8.592 6.759 1.00 0.00 H new ATOM 0 HD21 LEU A 48 2.392 8.878 8.433 1.00 0.00 H new ATOM 0 HD22 LEU A 48 1.085 7.716 8.759 1.00 0.00 H new ATOM 0 HD23 LEU A 48 2.761 7.144 8.586 1.00 0.00 H new ATOM 765 N ILE A 49 1.311 3.138 5.515 1.00 0.00 N ATOM 766 CA ILE A 49 0.858 1.733 5.599 1.00 0.00 C ATOM 767 C ILE A 49 2.014 0.745 5.825 1.00 0.00 C ATOM 768 O ILE A 49 1.825 -0.255 6.519 1.00 0.00 O ATOM 769 CB ILE A 49 -0.055 1.294 4.431 1.00 0.00 C ATOM 770 CG1 ILE A 49 0.621 1.183 3.055 1.00 0.00 C ATOM 771 CG2 ILE A 49 -1.272 2.226 4.349 1.00 0.00 C ATOM 772 CD1 ILE A 49 -0.262 0.496 2.002 1.00 0.00 C ATOM 0 H ILE A 49 1.217 3.563 4.593 1.00 0.00 H new ATOM 0 HA ILE A 49 0.231 1.701 6.490 1.00 0.00 H new ATOM 0 HB ILE A 49 -0.351 0.273 4.672 1.00 0.00 H new ATOM 0 HG12 ILE A 49 0.884 2.181 2.705 1.00 0.00 H new ATOM 0 HG13 ILE A 49 1.552 0.626 3.158 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -1.914 1.915 3.525 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -1.831 2.177 5.283 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -0.936 3.249 4.180 1.00 0.00 H new ATOM 0 HD11 ILE A 49 0.273 0.449 1.053 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -0.504 -0.514 2.333 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -1.183 1.065 1.872 1.00 0.00 H new ATOM 784 N LYS A 50 3.227 1.035 5.335 1.00 0.00 N ATOM 785 CA LYS A 50 4.424 0.206 5.569 1.00 0.00 C ATOM 786 C LYS A 50 5.093 0.415 6.941 1.00 0.00 C ATOM 787 O LYS A 50 5.868 -0.442 7.359 1.00 0.00 O ATOM 788 CB LYS A 50 5.379 0.279 4.350 1.00 0.00 C ATOM 789 CG LYS A 50 5.577 -1.115 3.732 1.00 0.00 C ATOM 790 CD LYS A 50 4.302 -1.738 3.122 1.00 0.00 C ATOM 791 CE LYS A 50 4.191 -1.458 1.622 1.00 0.00 C ATOM 792 NZ LYS A 50 3.140 -2.280 0.976 1.00 0.00 N ATOM 0 H LYS A 50 3.410 1.858 4.760 1.00 0.00 H new ATOM 0 HA LYS A 50 4.092 -0.830 5.645 1.00 0.00 H new ATOM 0 HB2 LYS A 50 4.971 0.959 3.602 1.00 0.00 H new ATOM 0 HB3 LYS A 50 6.342 0.685 4.660 1.00 0.00 H new ATOM 0 HG2 LYS A 50 6.339 -1.048 2.956 1.00 0.00 H new ATOM 0 HG3 LYS A 50 5.961 -1.786 4.500 1.00 0.00 H new ATOM 0 HD2 LYS A 50 4.308 -2.815 3.291 1.00 0.00 H new ATOM 0 HD3 LYS A 50 3.424 -1.340 3.631 1.00 0.00 H new ATOM 0 HE2 LYS A 50 3.971 -0.402 1.466 1.00 0.00 H new ATOM 0 HE3 LYS A 50 5.151 -1.657 1.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 3.332 -2.351 -0.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 3.137 -3.232 1.395 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 2.212 -1.835 1.123 1.00 0.00 H new ATOM 806 N LEU A 51 4.705 1.452 7.690 1.00 0.00 N ATOM 807 CA LEU A 51 4.978 1.635 9.126 1.00 0.00 C ATOM 808 C LEU A 51 3.868 0.991 9.990 1.00 0.00 C ATOM 809 O LEU A 51 4.122 0.527 11.101 1.00 0.00 O ATOM 810 CB LEU A 51 5.125 3.155 9.385 1.00 0.00 C ATOM 811 CG LEU A 51 6.122 3.564 10.488 1.00 0.00 C ATOM 812 CD1 LEU A 51 6.287 5.085 10.485 1.00 0.00 C ATOM 813 CD2 LEU A 51 5.710 3.150 11.900 1.00 0.00 C ATOM 0 H LEU A 51 4.167 2.224 7.297 1.00 0.00 H new ATOM 0 HA LEU A 51 5.902 1.131 9.411 1.00 0.00 H new ATOM 0 HB2 LEU A 51 5.429 3.633 8.454 1.00 0.00 H new ATOM 0 HB3 LEU A 51 4.145 3.555 9.644 1.00 0.00 H new ATOM 0 HG LEU A 51 7.048 3.040 10.251 1.00 0.00 H new ATOM 0 HD11 LEU A 51 6.991 5.376 11.264 1.00 0.00 H new ATOM 0 HD12 LEU A 51 6.665 5.408 9.515 1.00 0.00 H new ATOM 0 HD13 LEU A 51 5.322 5.556 10.674 1.00 0.00 H new ATOM 0 HD21 LEU A 51 6.468 3.478 12.611 1.00 0.00 H new ATOM 0 HD22 LEU A 51 4.754 3.611 12.150 1.00 0.00 H new ATOM 0 HD23 LEU A 51 5.613 2.065 11.947 1.00 0.00 H new ATOM 825 N GLY A 52 2.638 0.928 9.462 1.00 0.00 N ATOM 826 CA GLY A 52 1.447 0.372 10.124 1.00 0.00 C ATOM 827 C GLY A 52 0.420 1.420 10.585 1.00 0.00 C ATOM 828 O GLY A 52 -0.447 1.129 11.411 1.00 0.00 O ATOM 0 H GLY A 52 2.436 1.276 8.525 1.00 0.00 H new ATOM 0 HA2 GLY A 52 0.957 -0.320 9.439 1.00 0.00 H new ATOM 0 HA3 GLY A 52 1.767 -0.209 10.989 1.00 0.00 H new ATOM 832 N GLU A 53 0.523 2.653 10.088 1.00 0.00 N ATOM 833 CA GLU A 53 -0.314 3.817 10.412 1.00 0.00 C ATOM 834 C GLU A 53 -1.434 3.996 9.361 1.00 0.00 C ATOM 835 O GLU A 53 -1.645 5.077 8.801 1.00 0.00 O ATOM 836 CB GLU A 53 0.580 5.068 10.574 1.00 0.00 C ATOM 837 CG GLU A 53 1.714 4.978 11.612 1.00 0.00 C ATOM 838 CD GLU A 53 1.226 5.213 13.048 1.00 0.00 C ATOM 839 OE1 GLU A 53 1.826 6.047 13.772 1.00 0.00 O ATOM 840 OE2 GLU A 53 0.261 4.546 13.489 1.00 0.00 O ATOM 0 H GLU A 53 1.241 2.884 9.402 1.00 0.00 H new ATOM 0 HA GLU A 53 -0.821 3.658 11.364 1.00 0.00 H new ATOM 0 HB2 GLU A 53 1.023 5.297 9.605 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -0.059 5.910 10.840 1.00 0.00 H new ATOM 0 HG2 GLU A 53 2.182 3.995 11.548 1.00 0.00 H new ATOM 0 HG3 GLU A 53 2.482 5.713 11.369 1.00 0.00 H new ATOM 848 N TYR A 54 -2.152 2.912 9.045 1.00 0.00 N ATOM 849 CA TYR A 54 -3.166 2.868 7.979 1.00 0.00 C ATOM 850 C TYR A 54 -4.315 3.871 8.200 1.00 0.00 C ATOM 851 O TYR A 54 -4.812 4.463 7.242 1.00 0.00 O ATOM 852 CB TYR A 54 -3.718 1.439 7.817 1.00 0.00 C ATOM 853 CG TYR A 54 -2.717 0.301 7.958 1.00 0.00 C ATOM 854 CD1 TYR A 54 -2.450 -0.256 9.226 1.00 0.00 C ATOM 855 CD2 TYR A 54 -2.127 -0.270 6.816 1.00 0.00 C ATOM 856 CE1 TYR A 54 -1.607 -1.378 9.350 1.00 0.00 C ATOM 857 CE2 TYR A 54 -1.246 -1.363 6.942 1.00 0.00 C ATOM 858 CZ TYR A 54 -1.001 -1.937 8.204 1.00 0.00 C ATOM 859 OH TYR A 54 -0.193 -3.029 8.300 1.00 0.00 O ATOM 0 H TYR A 54 -2.044 2.022 9.531 1.00 0.00 H new ATOM 0 HA TYR A 54 -2.665 3.166 7.058 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -4.506 1.293 8.555 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -4.184 1.363 6.834 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -2.895 0.181 10.108 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -2.350 0.131 5.838 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -1.424 -1.811 10.322 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -0.756 -1.762 6.066 1.00 0.00 H new ATOM 0 HH TYR A 54 0.133 -3.274 7.409 1.00 0.00 H new ATOM 869 N THR A 55 -4.666 4.136 9.463 1.00 0.00 N ATOM 870 CA THR A 55 -5.605 5.186 9.904 1.00 0.00 C ATOM 871 C THR A 55 -5.206 6.585 9.413 1.00 0.00 C ATOM 872 O THR A 55 -6.078 7.407 9.125 1.00 0.00 O ATOM 873 CB THR A 55 -5.681 5.173 11.443 1.00 0.00 C ATOM 874 OG1 THR A 55 -6.229 3.946 11.888 1.00 0.00 O ATOM 875 CG2 THR A 55 -6.551 6.271 12.043 1.00 0.00 C ATOM 0 H THR A 55 -4.288 3.602 10.246 1.00 0.00 H new ATOM 0 HA THR A 55 -6.579 4.966 9.467 1.00 0.00 H new ATOM 0 HB THR A 55 -4.653 5.329 11.772 1.00 0.00 H new ATOM 0 HG1 THR A 55 -6.273 3.943 12.867 1.00 0.00 H new ATOM 0 HG21 THR A 55 -6.547 6.186 13.130 1.00 0.00 H new ATOM 0 HG22 THR A 55 -6.158 7.246 11.754 1.00 0.00 H new ATOM 0 HG23 THR A 55 -7.572 6.168 11.675 1.00 0.00 H new ATOM 883 N GLN A 56 -3.906 6.856 9.257 1.00 0.00 N ATOM 884 CA GLN A 56 -3.398 8.112 8.686 1.00 0.00 C ATOM 885 C GLN A 56 -3.486 8.101 7.157 1.00 0.00 C ATOM 886 O GLN A 56 -3.826 9.115 6.544 1.00 0.00 O ATOM 887 CB GLN A 56 -1.937 8.350 9.085 1.00 0.00 C ATOM 888 CG GLN A 56 -1.633 8.061 10.551 1.00 0.00 C ATOM 889 CD GLN A 56 -2.456 8.841 11.555 1.00 0.00 C ATOM 890 OE1 GLN A 56 -2.747 10.023 11.400 1.00 0.00 O ATOM 891 NE2 GLN A 56 -2.826 8.197 12.634 1.00 0.00 N ATOM 0 H GLN A 56 -3.168 6.205 9.525 1.00 0.00 H new ATOM 0 HA GLN A 56 -4.022 8.913 9.083 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -1.296 7.725 8.463 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -1.678 9.387 8.870 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -1.784 6.997 10.732 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -0.578 8.268 10.733 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -2.578 7.215 12.752 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -3.362 8.678 13.356 1.00 0.00 H new ATOM 900 N ALA A 57 -3.195 6.951 6.541 1.00 0.00 N ATOM 901 CA ALA A 57 -3.161 6.791 5.090 1.00 0.00 C ATOM 902 C ALA A 57 -4.547 6.950 4.441 1.00 0.00 C ATOM 903 O ALA A 57 -4.654 7.612 3.412 1.00 0.00 O ATOM 904 CB ALA A 57 -2.526 5.437 4.760 1.00 0.00 C ATOM 0 H ALA A 57 -2.973 6.094 7.047 1.00 0.00 H new ATOM 0 HA ALA A 57 -2.554 7.591 4.665 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -2.494 5.304 3.679 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -1.513 5.403 5.160 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -3.119 4.639 5.206 1.00 0.00 H new ATOM 910 N ILE A 58 -5.621 6.432 5.054 1.00 0.00 N ATOM 911 CA ILE A 58 -7.000 6.615 4.546 1.00 0.00 C ATOM 912 C ILE A 58 -7.465 8.084 4.588 1.00 0.00 C ATOM 913 O ILE A 58 -8.214 8.530 3.717 1.00 0.00 O ATOM 914 CB ILE A 58 -8.000 5.685 5.270 1.00 0.00 C ATOM 915 CG1 ILE A 58 -8.062 5.954 6.793 1.00 0.00 C ATOM 916 CG2 ILE A 58 -7.657 4.218 4.954 1.00 0.00 C ATOM 917 CD1 ILE A 58 -9.085 5.101 7.548 1.00 0.00 C ATOM 0 H ILE A 58 -5.566 5.878 5.909 1.00 0.00 H new ATOM 0 HA ILE A 58 -6.978 6.329 3.494 1.00 0.00 H new ATOM 0 HB ILE A 58 -9.001 5.899 4.896 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -7.075 5.778 7.221 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -8.296 7.006 6.954 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -8.362 3.562 5.464 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -7.721 4.053 3.878 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -6.645 3.999 5.295 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -9.060 5.356 8.608 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -10.082 5.293 7.152 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -8.842 4.046 7.423 1.00 0.00 H new ATOM 929 N GLN A 59 -6.966 8.863 5.552 1.00 0.00 N ATOM 930 CA GLN A 59 -7.172 10.312 5.623 1.00 0.00 C ATOM 931 C GLN A 59 -6.269 11.065 4.628 1.00 0.00 C ATOM 932 O GLN A 59 -6.718 12.007 3.976 1.00 0.00 O ATOM 933 CB GLN A 59 -7.008 10.736 7.086 1.00 0.00 C ATOM 934 CG GLN A 59 -7.206 12.233 7.368 1.00 0.00 C ATOM 935 CD GLN A 59 -5.891 13.004 7.382 1.00 0.00 C ATOM 936 OE1 GLN A 59 -5.062 12.835 8.273 1.00 0.00 O ATOM 937 NE2 GLN A 59 -5.624 13.846 6.411 1.00 0.00 N ATOM 0 H GLN A 59 -6.398 8.498 6.317 1.00 0.00 H new ATOM 0 HA GLN A 59 -8.180 10.582 5.308 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -7.719 10.173 7.691 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -6.010 10.450 7.419 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -7.864 12.658 6.610 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -7.705 12.355 8.329 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -6.303 13.996 5.665 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -4.737 14.350 6.403 1.00 0.00 H new ATOM 946 N MET A 60 -5.035 10.601 4.406 1.00 0.00 N ATOM 947 CA MET A 60 -4.148 11.155 3.374 1.00 0.00 C ATOM 948 C MET A 60 -4.667 10.896 1.948 1.00 0.00 C ATOM 949 O MET A 60 -4.499 11.740 1.072 1.00 0.00 O ATOM 950 CB MET A 60 -2.721 10.630 3.577 1.00 0.00 C ATOM 951 CG MET A 60 -1.720 11.390 2.695 1.00 0.00 C ATOM 952 SD MET A 60 -0.029 11.427 3.342 1.00 0.00 S ATOM 953 CE MET A 60 -0.258 12.624 4.689 1.00 0.00 C ATOM 0 H MET A 60 -4.622 9.833 4.935 1.00 0.00 H new ATOM 0 HA MET A 60 -4.135 12.239 3.486 1.00 0.00 H new ATOM 0 HB2 MET A 60 -2.438 10.733 4.625 1.00 0.00 H new ATOM 0 HB3 MET A 60 -2.685 9.567 3.340 1.00 0.00 H new ATOM 0 HG2 MET A 60 -1.707 10.934 1.705 1.00 0.00 H new ATOM 0 HG3 MET A 60 -2.070 12.415 2.569 1.00 0.00 H new ATOM 0 HE1 MET A 60 0.499 13.404 4.615 1.00 0.00 H new ATOM 0 HE2 MET A 60 -1.249 13.072 4.613 1.00 0.00 H new ATOM 0 HE3 MET A 60 -0.162 12.115 5.648 1.00 0.00 H new ATOM 963 N CYS A 61 -5.376 9.786 1.717 1.00 0.00 N ATOM 964 CA CYS A 61 -6.071 9.523 0.454 1.00 0.00 C ATOM 965 C CYS A 61 -7.158 10.573 0.167 1.00 0.00 C ATOM 966 O CYS A 61 -7.226 11.095 -0.943 1.00 0.00 O ATOM 967 CB CYS A 61 -6.625 8.099 0.455 1.00 0.00 C ATOM 968 SG CYS A 61 -5.253 6.908 0.412 1.00 0.00 S ATOM 0 H CYS A 61 -5.484 9.041 2.405 1.00 0.00 H new ATOM 0 HA CYS A 61 -5.353 9.607 -0.362 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -7.233 7.936 1.345 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -7.275 7.951 -0.407 1.00 0.00 H new ATOM 0 HG CYS A 61 -4.666 6.880 1.572 1.00 0.00 H new ATOM 974 N GLN A 62 -7.946 10.949 1.181 1.00 0.00 N ATOM 975 CA GLN A 62 -8.940 12.032 1.114 1.00 0.00 C ATOM 976 C GLN A 62 -8.305 13.414 0.920 1.00 0.00 C ATOM 977 O GLN A 62 -8.778 14.188 0.085 1.00 0.00 O ATOM 978 CB GLN A 62 -9.789 11.983 2.391 1.00 0.00 C ATOM 979 CG GLN A 62 -10.820 10.846 2.371 1.00 0.00 C ATOM 980 CD GLN A 62 -11.454 10.683 3.744 1.00 0.00 C ATOM 981 OE1 GLN A 62 -12.417 11.360 4.100 1.00 0.00 O ATOM 982 NE2 GLN A 62 -10.896 9.831 4.574 1.00 0.00 N ATOM 0 H GLN A 62 -7.911 10.498 2.095 1.00 0.00 H new ATOM 0 HA GLN A 62 -9.567 11.876 0.236 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -9.134 11.860 3.254 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -10.305 12.935 2.516 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -11.591 11.058 1.630 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -10.339 9.915 2.073 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -10.098 9.273 4.272 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -11.261 9.728 5.521 1.00 0.00 H new ATOM 991 N GLN A 63 -7.183 13.692 1.586 1.00 0.00 N ATOM 992 CA GLN A 63 -6.360 14.871 1.311 1.00 0.00 C ATOM 993 C GLN A 63 -5.788 14.865 -0.123 1.00 0.00 C ATOM 994 O GLN A 63 -5.548 15.932 -0.680 1.00 0.00 O ATOM 995 CB GLN A 63 -5.279 14.961 2.403 1.00 0.00 C ATOM 996 CG GLN A 63 -4.208 16.045 2.202 1.00 0.00 C ATOM 997 CD GLN A 63 -2.921 15.473 1.615 1.00 0.00 C ATOM 998 OE1 GLN A 63 -2.015 15.089 2.341 1.00 0.00 O ATOM 999 NE2 GLN A 63 -2.795 15.347 0.311 1.00 0.00 N ATOM 0 H GLN A 63 -6.818 13.103 2.335 1.00 0.00 H new ATOM 0 HA GLN A 63 -6.973 15.772 1.349 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -5.771 15.137 3.360 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -4.781 13.994 2.474 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -4.596 16.820 1.540 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -3.990 16.522 3.158 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -3.543 15.663 -0.307 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -1.950 14.933 -0.082 1.00 0.00 H new ATOM 1008 N GLY A 64 -5.572 13.705 -0.752 1.00 0.00 N ATOM 1009 CA GLY A 64 -5.140 13.609 -2.152 1.00 0.00 C ATOM 1010 C GLY A 64 -6.269 13.753 -3.184 1.00 0.00 C ATOM 1011 O GLY A 64 -5.995 14.191 -4.299 1.00 0.00 O ATOM 0 H GLY A 64 -5.693 12.798 -0.301 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -4.393 14.380 -2.341 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -4.650 12.647 -2.302 1.00 0.00 H new ATOM 1015 N LEU A 65 -7.540 13.505 -2.824 1.00 0.00 N ATOM 1016 CA LEU A 65 -8.693 13.794 -3.705 1.00 0.00 C ATOM 1017 C LEU A 65 -8.777 15.283 -4.086 1.00 0.00 C ATOM 1018 O LEU A 65 -9.240 15.616 -5.179 1.00 0.00 O ATOM 1019 CB LEU A 65 -10.022 13.356 -3.054 1.00 0.00 C ATOM 1020 CG LEU A 65 -10.153 11.866 -2.698 1.00 0.00 C ATOM 1021 CD1 LEU A 65 -11.581 11.543 -2.256 1.00 0.00 C ATOM 1022 CD2 LEU A 65 -9.819 10.943 -3.863 1.00 0.00 C ATOM 0 H LEU A 65 -7.799 13.102 -1.923 1.00 0.00 H new ATOM 0 HA LEU A 65 -8.532 13.217 -4.615 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -10.164 13.938 -2.143 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -10.836 13.618 -3.730 1.00 0.00 H new ATOM 0 HG LEU A 65 -9.438 11.693 -1.894 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -11.654 10.484 -2.008 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -11.834 12.139 -1.379 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -12.274 11.775 -3.065 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -9.930 9.905 -3.548 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -10.496 11.145 -4.693 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -8.791 11.117 -4.182 1.00 0.00 H new ATOM 1034 N ARG A 66 -8.250 16.153 -3.213 1.00 0.00 N ATOM 1035 CA ARG A 66 -8.110 17.615 -3.405 1.00 0.00 C ATOM 1036 C ARG A 66 -7.252 18.046 -4.612 1.00 0.00 C ATOM 1037 O ARG A 66 -7.235 19.238 -4.932 1.00 0.00 O ATOM 1038 CB ARG A 66 -7.529 18.255 -2.126 1.00 0.00 C ATOM 1039 CG ARG A 66 -8.335 17.954 -0.855 1.00 0.00 C ATOM 1040 CD ARG A 66 -7.675 18.545 0.395 1.00 0.00 C ATOM 1041 NE ARG A 66 -8.424 18.143 1.598 1.00 0.00 N ATOM 1042 CZ ARG A 66 -8.234 18.554 2.836 1.00 0.00 C ATOM 1043 NH1 ARG A 66 -7.278 19.371 3.159 1.00 0.00 N ATOM 1044 NH2 ARG A 66 -9.020 18.139 3.782 1.00 0.00 N ATOM 0 H ARG A 66 -7.891 15.848 -2.308 1.00 0.00 H new ATOM 0 HA ARG A 66 -9.119 17.968 -3.616 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -6.507 17.902 -1.988 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -7.477 19.335 -2.264 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -9.342 18.359 -0.959 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -8.436 16.875 -0.736 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -6.643 18.202 0.468 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -7.646 19.632 0.321 1.00 0.00 H new ATOM 0 HE ARG A 66 -9.176 17.469 1.457 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -6.640 19.719 2.443 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -7.165 19.665 4.129 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -9.782 17.496 3.567 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -8.875 18.455 4.741 1.00 0.00 H new ATOM 1058 N TYR A 67 -6.532 17.118 -5.251 1.00 0.00 N ATOM 1059 CA TYR A 67 -5.493 17.365 -6.263 1.00 0.00 C ATOM 1060 C TYR A 67 -5.767 16.627 -7.591 1.00 0.00 C ATOM 1061 O TYR A 67 -4.860 16.020 -8.156 1.00 0.00 O ATOM 1062 CB TYR A 67 -4.127 16.974 -5.660 1.00 0.00 C ATOM 1063 CG TYR A 67 -3.661 17.827 -4.497 1.00 0.00 C ATOM 1064 CD1 TYR A 67 -2.921 19.001 -4.734 1.00 0.00 C ATOM 1065 CD2 TYR A 67 -3.948 17.433 -3.178 1.00 0.00 C ATOM 1066 CE1 TYR A 67 -2.467 19.780 -3.650 1.00 0.00 C ATOM 1067 CE2 TYR A 67 -3.495 18.207 -2.093 1.00 0.00 C ATOM 1068 CZ TYR A 67 -2.750 19.381 -2.329 1.00 0.00 C ATOM 1069 OH TYR A 67 -2.340 20.151 -1.290 1.00 0.00 O ATOM 0 H TYR A 67 -6.663 16.123 -5.069 1.00 0.00 H new ATOM 0 HA TYR A 67 -5.495 18.424 -6.520 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -4.178 15.936 -5.330 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -3.375 17.021 -6.447 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -2.701 19.305 -5.747 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -4.518 16.534 -2.997 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -1.902 20.682 -3.832 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -3.718 17.902 -1.081 1.00 0.00 H new ATOM 0 HH TYR A 67 -2.616 19.736 -0.446 1.00 0.00 H new ATOM 1079 N THR A 68 -7.016 16.603 -8.077 1.00 0.00 N ATOM 1080 CA THR A 68 -7.453 15.670 -9.143 1.00 0.00 C ATOM 1081 C THR A 68 -8.195 16.287 -10.337 1.00 0.00 C ATOM 1082 O THR A 68 -8.353 15.618 -11.358 1.00 0.00 O ATOM 1083 CB THR A 68 -8.321 14.545 -8.559 1.00 0.00 C ATOM 1084 OG1 THR A 68 -9.520 15.031 -7.987 1.00 0.00 O ATOM 1085 CG2 THR A 68 -7.597 13.711 -7.503 1.00 0.00 C ATOM 0 H THR A 68 -7.755 17.225 -7.748 1.00 0.00 H new ATOM 0 HA THR A 68 -6.511 15.296 -9.545 1.00 0.00 H new ATOM 0 HB THR A 68 -8.550 13.911 -9.415 1.00 0.00 H new ATOM 0 HG1 THR A 68 -9.369 15.244 -7.042 1.00 0.00 H new ATOM 0 HG21 THR A 68 -8.266 12.934 -7.131 1.00 0.00 H new ATOM 0 HG22 THR A 68 -6.715 13.249 -7.946 1.00 0.00 H new ATOM 0 HG23 THR A 68 -7.293 14.354 -6.677 1.00 0.00 H new ATOM 1093 N SER A 69 -8.637 17.544 -10.261 1.00 0.00 N ATOM 1094 CA SER A 69 -9.572 18.166 -11.223 1.00 0.00 C ATOM 1095 C SER A 69 -8.907 18.685 -12.515 1.00 0.00 C ATOM 1096 O SER A 69 -9.092 19.838 -12.907 1.00 0.00 O ATOM 1097 CB SER A 69 -10.403 19.247 -10.514 1.00 0.00 C ATOM 1098 OG SER A 69 -11.160 18.660 -9.466 1.00 0.00 O ATOM 0 H SER A 69 -8.353 18.179 -9.515 1.00 0.00 H new ATOM 0 HA SER A 69 -10.238 17.377 -11.573 1.00 0.00 H new ATOM 0 HB2 SER A 69 -9.746 20.019 -10.113 1.00 0.00 H new ATOM 0 HB3 SER A 69 -11.068 19.734 -11.227 1.00 0.00 H new ATOM 0 HG SER A 69 -11.687 19.353 -9.015 1.00 0.00 H new ATOM 1104 N THR A 70 -8.087 17.856 -13.166 1.00 0.00 N ATOM 1105 CA THR A 70 -7.379 18.152 -14.430 1.00 0.00 C ATOM 1106 C THR A 70 -6.858 16.856 -15.072 1.00 0.00 C ATOM 1107 O THR A 70 -6.549 15.897 -14.364 1.00 0.00 O ATOM 1108 CB THR A 70 -6.228 19.161 -14.197 1.00 0.00 C ATOM 1109 OG1 THR A 70 -5.347 19.216 -15.297 1.00 0.00 O ATOM 1110 CG2 THR A 70 -5.364 18.858 -12.972 1.00 0.00 C ATOM 0 H THR A 70 -7.885 16.919 -12.818 1.00 0.00 H new ATOM 0 HA THR A 70 -8.087 18.611 -15.120 1.00 0.00 H new ATOM 0 HB THR A 70 -6.748 20.107 -14.046 1.00 0.00 H new ATOM 0 HG1 THR A 70 -4.635 19.864 -15.114 1.00 0.00 H new ATOM 0 HG21 THR A 70 -4.582 19.612 -12.882 1.00 0.00 H new ATOM 0 HG22 THR A 70 -5.985 18.871 -12.076 1.00 0.00 H new ATOM 0 HG23 THR A 70 -4.908 17.874 -13.083 1.00 0.00 H new ATOM 1118 N ALA A 71 -6.688 16.816 -16.400 1.00 0.00 N ATOM 1119 CA ALA A 71 -6.041 15.702 -17.107 1.00 0.00 C ATOM 1120 C ALA A 71 -4.547 15.537 -16.743 1.00 0.00 C ATOM 1121 O ALA A 71 -3.948 14.503 -17.039 1.00 0.00 O ATOM 1122 CB ALA A 71 -6.234 15.879 -18.618 1.00 0.00 C ATOM 0 H ALA A 71 -6.999 17.564 -17.020 1.00 0.00 H new ATOM 0 HA ALA A 71 -6.522 14.779 -16.783 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -5.755 15.054 -19.145 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -7.299 15.888 -18.850 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -5.785 16.821 -18.934 1.00 0.00 H new ATOM 1128 N GLU A 72 -3.961 16.514 -16.041 1.00 0.00 N ATOM 1129 CA GLU A 72 -2.664 16.392 -15.364 1.00 0.00 C ATOM 1130 C GLU A 72 -2.697 15.335 -14.243 1.00 0.00 C ATOM 1131 O GLU A 72 -1.693 14.663 -13.989 1.00 0.00 O ATOM 1132 CB GLU A 72 -2.295 17.774 -14.792 1.00 0.00 C ATOM 1133 CG GLU A 72 -0.811 17.976 -14.472 1.00 0.00 C ATOM 1134 CD GLU A 72 0.048 17.981 -15.738 1.00 0.00 C ATOM 1135 OE1 GLU A 72 0.753 16.969 -15.979 1.00 0.00 O ATOM 1136 OE2 GLU A 72 -0.002 18.975 -16.509 1.00 0.00 O ATOM 0 H GLU A 72 -4.386 17.434 -15.925 1.00 0.00 H new ATOM 0 HA GLU A 72 -1.914 16.060 -16.082 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -2.603 18.538 -15.506 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -2.871 17.938 -13.881 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -0.679 18.918 -13.940 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -0.472 17.183 -13.806 1.00 0.00 H new ATOM 1144 N HIS A 73 -3.850 15.160 -13.587 1.00 0.00 N ATOM 1145 CA HIS A 73 -4.014 14.376 -12.358 1.00 0.00 C ATOM 1146 C HIS A 73 -5.188 13.369 -12.411 1.00 0.00 C ATOM 1147 O HIS A 73 -5.615 12.845 -11.381 1.00 0.00 O ATOM 1148 CB HIS A 73 -4.100 15.329 -11.161 1.00 0.00 C ATOM 1149 CG HIS A 73 -2.918 16.259 -10.999 1.00 0.00 C ATOM 1150 ND1 HIS A 73 -1.576 15.942 -11.034 1.00 0.00 N ATOM 1151 CD2 HIS A 73 -2.997 17.603 -10.765 1.00 0.00 C ATOM 1152 CE1 HIS A 73 -0.872 17.066 -10.824 1.00 0.00 C ATOM 1153 NE2 HIS A 73 -1.696 18.115 -10.649 1.00 0.00 N ATOM 0 H HIS A 73 -4.725 15.575 -13.909 1.00 0.00 H new ATOM 0 HA HIS A 73 -3.134 13.743 -12.244 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -5.005 15.929 -11.258 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -4.205 14.738 -10.252 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -3.909 18.176 -10.683 1.00 0.00 H new ATOM 0 HE1 HIS A 73 0.206 17.120 -10.799 1.00 0.00 H new ATOM 0 HE2 HIS A 73 -1.430 19.083 -10.469 1.00 0.00 H new ATOM 1162 N VAL A 74 -5.705 13.046 -13.602 1.00 0.00 N ATOM 1163 CA VAL A 74 -6.797 12.067 -13.766 1.00 0.00 C ATOM 1164 C VAL A 74 -6.359 10.622 -13.477 1.00 0.00 C ATOM 1165 O VAL A 74 -7.167 9.828 -12.992 1.00 0.00 O ATOM 1166 CB VAL A 74 -7.460 12.221 -15.149 1.00 0.00 C ATOM 1167 CG1 VAL A 74 -6.553 11.806 -16.315 1.00 0.00 C ATOM 1168 CG2 VAL A 74 -8.774 11.439 -15.222 1.00 0.00 C ATOM 0 H VAL A 74 -5.382 13.452 -14.480 1.00 0.00 H new ATOM 0 HA VAL A 74 -7.549 12.290 -13.010 1.00 0.00 H new ATOM 0 HB VAL A 74 -7.657 13.288 -15.257 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -7.086 11.941 -17.256 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -5.655 12.423 -16.315 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -6.273 10.758 -16.203 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -9.219 11.566 -16.209 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -8.578 10.381 -15.046 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -9.462 11.812 -14.463 1.00 0.00 H new ATOM 1178 N ALA A 75 -5.078 10.292 -13.682 1.00 0.00 N ATOM 1179 CA ALA A 75 -4.499 9.015 -13.263 1.00 0.00 C ATOM 1180 C ALA A 75 -4.046 9.062 -11.789 1.00 0.00 C ATOM 1181 O ALA A 75 -4.272 8.104 -11.050 1.00 0.00 O ATOM 1182 CB ALA A 75 -3.383 8.631 -14.243 1.00 0.00 C ATOM 0 H ALA A 75 -4.412 10.909 -14.146 1.00 0.00 H new ATOM 0 HA ALA A 75 -5.253 8.228 -13.299 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -2.944 7.680 -13.940 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -3.797 8.536 -15.247 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -2.614 9.403 -14.239 1.00 0.00 H new ATOM 1188 N ILE A 76 -3.546 10.214 -11.311 1.00 0.00 N ATOM 1189 CA ILE A 76 -3.353 10.483 -9.870 1.00 0.00 C ATOM 1190 C ILE A 76 -4.638 10.196 -9.078 1.00 0.00 C ATOM 1191 O ILE A 76 -4.570 9.577 -8.019 1.00 0.00 O ATOM 1192 CB ILE A 76 -2.875 11.939 -9.636 1.00 0.00 C ATOM 1193 CG1 ILE A 76 -1.384 12.160 -9.973 1.00 0.00 C ATOM 1194 CG2 ILE A 76 -3.189 12.477 -8.231 1.00 0.00 C ATOM 1195 CD1 ILE A 76 -0.371 11.458 -9.054 1.00 0.00 C ATOM 0 H ILE A 76 -3.263 10.988 -11.911 1.00 0.00 H new ATOM 0 HA ILE A 76 -2.576 9.810 -9.506 1.00 0.00 H new ATOM 0 HB ILE A 76 -3.464 12.520 -10.346 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -1.210 11.824 -10.995 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -1.182 13.231 -9.951 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -2.824 13.500 -8.143 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -4.267 12.460 -8.067 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -2.699 11.852 -7.484 1.00 0.00 H new ATOM 0 HD11 ILE A 76 0.641 11.686 -9.387 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -0.504 11.809 -8.031 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -0.532 10.381 -9.091 1.00 0.00 H new ATOM 1207 N ARG A 77 -5.817 10.581 -9.594 1.00 0.00 N ATOM 1208 CA ARG A 77 -7.113 10.284 -8.963 1.00 0.00 C ATOM 1209 C ARG A 77 -7.289 8.786 -8.722 1.00 0.00 C ATOM 1210 O ARG A 77 -7.607 8.400 -7.598 1.00 0.00 O ATOM 1211 CB ARG A 77 -8.247 10.870 -9.817 1.00 0.00 C ATOM 1212 CG ARG A 77 -9.615 10.786 -9.116 1.00 0.00 C ATOM 1213 CD ARG A 77 -10.672 11.633 -9.836 1.00 0.00 C ATOM 1214 NE ARG A 77 -10.988 11.112 -11.174 1.00 0.00 N ATOM 1215 CZ ARG A 77 -11.822 11.636 -12.050 1.00 0.00 C ATOM 1216 NH1 ARG A 77 -12.439 12.770 -11.858 1.00 0.00 N ATOM 1217 NH2 ARG A 77 -12.025 10.994 -13.159 1.00 0.00 N ATOM 0 H ARG A 77 -5.898 11.109 -10.463 1.00 0.00 H new ATOM 0 HA ARG A 77 -7.145 10.756 -7.981 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -8.023 11.912 -10.047 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -8.295 10.337 -10.767 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -9.943 9.747 -9.080 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -9.517 11.125 -8.085 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -11.581 11.662 -9.236 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -10.315 12.659 -9.923 1.00 0.00 H new ATOM 0 HE ARG A 77 -10.512 10.255 -11.454 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -12.285 13.295 -10.997 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -13.075 13.131 -12.569 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -11.545 10.111 -13.332 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -12.664 11.373 -13.858 1.00 0.00 H new ATOM 1231 N SER A 78 -7.005 7.950 -9.720 1.00 0.00 N ATOM 1232 CA SER A 78 -7.002 6.485 -9.616 1.00 0.00 C ATOM 1233 C SER A 78 -5.960 5.985 -8.603 1.00 0.00 C ATOM 1234 O SER A 78 -6.275 5.155 -7.748 1.00 0.00 O ATOM 1235 CB SER A 78 -6.720 5.875 -10.994 1.00 0.00 C ATOM 1236 OG SER A 78 -7.450 6.541 -12.009 1.00 0.00 O ATOM 0 H SER A 78 -6.763 8.281 -10.654 1.00 0.00 H new ATOM 0 HA SER A 78 -7.984 6.172 -9.261 1.00 0.00 H new ATOM 0 HB2 SER A 78 -5.653 5.936 -11.210 1.00 0.00 H new ATOM 0 HB3 SER A 78 -6.984 4.817 -10.987 1.00 0.00 H new ATOM 0 HG SER A 78 -7.250 6.133 -12.877 1.00 0.00 H new ATOM 1242 N LYS A 79 -4.754 6.577 -8.614 1.00 0.00 N ATOM 1243 CA LYS A 79 -3.659 6.313 -7.660 1.00 0.00 C ATOM 1244 C LYS A 79 -3.924 6.838 -6.234 1.00 0.00 C ATOM 1245 O LYS A 79 -3.158 6.512 -5.332 1.00 0.00 O ATOM 1246 CB LYS A 79 -2.319 6.775 -8.282 1.00 0.00 C ATOM 1247 CG LYS A 79 -1.077 6.470 -7.421 1.00 0.00 C ATOM 1248 CD LYS A 79 0.244 6.343 -8.197 1.00 0.00 C ATOM 1249 CE LYS A 79 0.609 7.575 -9.030 1.00 0.00 C ATOM 1250 NZ LYS A 79 1.935 7.398 -9.669 1.00 0.00 N ATOM 0 H LYS A 79 -4.504 7.278 -9.312 1.00 0.00 H new ATOM 0 HA LYS A 79 -3.596 5.237 -7.497 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -2.199 6.295 -9.253 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -2.367 7.849 -8.461 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -0.968 7.259 -6.677 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -1.251 5.541 -6.877 1.00 0.00 H new ATOM 0 HD2 LYS A 79 1.049 6.146 -7.489 1.00 0.00 H new ATOM 0 HD3 LYS A 79 0.182 5.478 -8.858 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -0.150 7.742 -9.794 1.00 0.00 H new ATOM 0 HE3 LYS A 79 0.621 8.460 -8.394 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 2.166 8.243 -10.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 2.659 7.261 -8.935 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 1.912 6.565 -10.292 1.00 0.00 H new ATOM 1264 N LEU A 80 -5.036 7.540 -5.979 1.00 0.00 N ATOM 1265 CA LEU A 80 -5.623 7.669 -4.634 1.00 0.00 C ATOM 1266 C LEU A 80 -6.860 6.768 -4.427 1.00 0.00 C ATOM 1267 O LEU A 80 -7.027 6.262 -3.317 1.00 0.00 O ATOM 1268 CB LEU A 80 -5.867 9.147 -4.237 1.00 0.00 C ATOM 1269 CG LEU A 80 -4.639 9.990 -3.814 1.00 0.00 C ATOM 1270 CD1 LEU A 80 -3.665 9.259 -2.884 1.00 0.00 C ATOM 1271 CD2 LEU A 80 -3.842 10.528 -5.000 1.00 0.00 C ATOM 0 H LEU A 80 -5.558 8.037 -6.701 1.00 0.00 H new ATOM 0 HA LEU A 80 -4.876 7.292 -3.936 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -6.343 9.647 -5.081 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -6.582 9.160 -3.415 1.00 0.00 H new ATOM 0 HG LEU A 80 -5.090 10.817 -3.266 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -2.834 9.919 -2.636 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -4.183 8.969 -1.970 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -3.284 8.368 -3.384 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -2.995 11.110 -4.636 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -3.478 9.695 -5.602 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -4.483 11.164 -5.611 1.00 0.00 H new ATOM 1283 N GLN A 81 -7.678 6.475 -5.452 1.00 0.00 N ATOM 1284 CA GLN A 81 -8.842 5.579 -5.311 1.00 0.00 C ATOM 1285 C GLN A 81 -8.432 4.164 -4.884 1.00 0.00 C ATOM 1286 O GLN A 81 -8.946 3.657 -3.885 1.00 0.00 O ATOM 1287 CB GLN A 81 -9.685 5.450 -6.601 1.00 0.00 C ATOM 1288 CG GLN A 81 -10.401 6.690 -7.155 1.00 0.00 C ATOM 1289 CD GLN A 81 -10.749 7.743 -6.115 1.00 0.00 C ATOM 1290 OE1 GLN A 81 -11.698 7.643 -5.347 1.00 0.00 O ATOM 1291 NE2 GLN A 81 -9.950 8.778 -6.022 1.00 0.00 N ATOM 0 H GLN A 81 -7.555 6.848 -6.393 1.00 0.00 H new ATOM 0 HA GLN A 81 -9.448 6.052 -4.538 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -9.029 5.072 -7.385 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -10.442 4.686 -6.423 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -9.769 7.147 -7.917 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -11.318 6.372 -7.650 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -9.157 8.869 -6.657 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -10.121 9.492 -5.314 1.00 0.00 H new ATOM 1300 N TYR A 82 -7.509 3.525 -5.611 1.00 0.00 N ATOM 1301 CA TYR A 82 -7.054 2.169 -5.286 1.00 0.00 C ATOM 1302 C TYR A 82 -6.177 2.167 -4.022 1.00 0.00 C ATOM 1303 O TYR A 82 -6.223 1.224 -3.238 1.00 0.00 O ATOM 1304 CB TYR A 82 -6.327 1.539 -6.493 1.00 0.00 C ATOM 1305 CG TYR A 82 -4.821 1.462 -6.345 1.00 0.00 C ATOM 1306 CD1 TYR A 82 -4.027 2.534 -6.784 1.00 0.00 C ATOM 1307 CD2 TYR A 82 -4.235 0.382 -5.656 1.00 0.00 C ATOM 1308 CE1 TYR A 82 -2.650 2.550 -6.493 1.00 0.00 C ATOM 1309 CE2 TYR A 82 -2.856 0.385 -5.380 1.00 0.00 C ATOM 1310 CZ TYR A 82 -2.064 1.473 -5.802 1.00 0.00 C ATOM 1311 OH TYR A 82 -0.740 1.509 -5.509 1.00 0.00 O ATOM 0 H TYR A 82 -7.060 3.928 -6.433 1.00 0.00 H new ATOM 0 HA TYR A 82 -7.927 1.554 -5.069 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -6.716 0.533 -6.652 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -6.563 2.117 -7.386 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -4.472 3.344 -7.343 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -4.846 -0.450 -5.339 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -2.043 3.389 -6.800 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -2.406 -0.441 -4.848 1.00 0.00 H new ATOM 0 HH TYR A 82 -0.489 0.692 -5.029 1.00 0.00 H new ATOM 1321 N ARG A 83 -5.398 3.233 -3.801 1.00 0.00 N ATOM 1322 CA ARG A 83 -4.473 3.373 -2.665 1.00 0.00 C ATOM 1323 C ARG A 83 -5.222 3.458 -1.333 1.00 0.00 C ATOM 1324 O ARG A 83 -4.747 2.896 -0.351 1.00 0.00 O ATOM 1325 CB ARG A 83 -3.584 4.593 -2.949 1.00 0.00 C ATOM 1326 CG ARG A 83 -2.378 4.813 -2.022 1.00 0.00 C ATOM 1327 CD ARG A 83 -1.269 3.758 -2.153 1.00 0.00 C ATOM 1328 NE ARG A 83 -0.688 3.649 -3.512 1.00 0.00 N ATOM 1329 CZ ARG A 83 0.351 4.291 -4.017 1.00 0.00 C ATOM 1330 NH1 ARG A 83 0.980 5.236 -3.390 1.00 0.00 N ATOM 1331 NH2 ARG A 83 0.828 3.998 -5.191 1.00 0.00 N ATOM 0 H ARG A 83 -5.392 4.043 -4.421 1.00 0.00 H new ATOM 0 HA ARG A 83 -3.842 2.490 -2.564 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -3.214 4.511 -3.971 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -4.210 5.484 -2.907 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -1.953 5.795 -2.228 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -2.728 4.827 -0.990 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -0.472 3.996 -1.448 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -1.671 2.787 -1.864 1.00 0.00 H new ATOM 0 HE ARG A 83 -1.151 2.992 -4.140 1.00 0.00 H new ATOM 0 HH11 ARG A 83 0.678 5.518 -2.457 1.00 0.00 H new ATOM 0 HH12 ARG A 83 1.777 5.697 -3.829 1.00 0.00 H new ATOM 0 HH21 ARG A 83 0.399 3.257 -5.745 1.00 0.00 H new ATOM 0 HH22 ARG A 83 1.631 4.509 -5.557 1.00 0.00 H new ATOM 1345 N LEU A 84 -6.419 4.056 -1.314 1.00 0.00 N ATOM 1346 CA LEU A 84 -7.331 4.000 -0.167 1.00 0.00 C ATOM 1347 C LEU A 84 -7.846 2.564 0.041 1.00 0.00 C ATOM 1348 O LEU A 84 -7.686 2.005 1.125 1.00 0.00 O ATOM 1349 CB LEU A 84 -8.463 5.031 -0.366 1.00 0.00 C ATOM 1350 CG LEU A 84 -9.061 5.590 0.939 1.00 0.00 C ATOM 1351 CD1 LEU A 84 -9.994 6.764 0.632 1.00 0.00 C ATOM 1352 CD2 LEU A 84 -9.862 4.578 1.738 1.00 0.00 C ATOM 0 H LEU A 84 -6.784 4.595 -2.099 1.00 0.00 H new ATOM 0 HA LEU A 84 -6.805 4.268 0.749 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -8.080 5.861 -0.959 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -9.261 4.567 -0.946 1.00 0.00 H new ATOM 0 HG LEU A 84 -8.201 5.891 1.537 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -10.411 7.151 1.562 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -9.433 7.553 0.130 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -10.803 6.426 -0.015 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -10.248 5.051 2.641 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -10.694 4.214 1.135 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -9.220 3.741 2.013 1.00 0.00 H new ATOM 1364 N GLU A 85 -8.361 1.921 -1.012 1.00 0.00 N ATOM 1365 CA GLU A 85 -8.844 0.530 -0.954 1.00 0.00 C ATOM 1366 C GLU A 85 -7.763 -0.457 -0.476 1.00 0.00 C ATOM 1367 O GLU A 85 -8.066 -1.367 0.296 1.00 0.00 O ATOM 1368 CB GLU A 85 -9.381 0.090 -2.329 1.00 0.00 C ATOM 1369 CG GLU A 85 -10.666 0.829 -2.711 1.00 0.00 C ATOM 1370 CD GLU A 85 -11.281 0.255 -3.990 1.00 0.00 C ATOM 1371 OE1 GLU A 85 -10.743 0.464 -5.106 1.00 0.00 O ATOM 1372 OE2 GLU A 85 -12.342 -0.408 -3.906 1.00 0.00 O ATOM 0 H GLU A 85 -8.457 2.349 -1.933 1.00 0.00 H new ATOM 0 HA GLU A 85 -9.649 0.510 -0.219 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -8.621 0.270 -3.089 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -9.571 -0.983 -2.317 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -11.385 0.757 -1.895 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -10.450 1.888 -2.853 1.00 0.00 H new ATOM 1380 N LEU A 86 -6.504 -0.253 -0.871 1.00 0.00 N ATOM 1381 CA LEU A 86 -5.359 -1.078 -0.481 1.00 0.00 C ATOM 1382 C LEU A 86 -4.809 -0.711 0.907 1.00 0.00 C ATOM 1383 O LEU A 86 -4.333 -1.604 1.599 1.00 0.00 O ATOM 1384 CB LEU A 86 -4.311 -1.011 -1.608 1.00 0.00 C ATOM 1385 CG LEU A 86 -3.129 -2.005 -1.562 1.00 0.00 C ATOM 1386 CD1 LEU A 86 -1.964 -1.523 -0.693 1.00 0.00 C ATOM 1387 CD2 LEU A 86 -3.510 -3.431 -1.159 1.00 0.00 C ATOM 0 H LEU A 86 -6.246 0.515 -1.490 1.00 0.00 H new ATOM 0 HA LEU A 86 -5.673 -2.115 -0.364 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -4.831 -1.154 -2.555 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -3.898 -0.002 -1.620 1.00 0.00 H new ATOM 0 HG LEU A 86 -2.801 -2.039 -2.601 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -1.169 -2.268 -0.705 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -1.584 -0.580 -1.085 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -2.309 -1.377 0.331 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -2.618 -4.058 -1.154 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -3.953 -3.422 -0.163 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -4.230 -3.831 -1.873 1.00 0.00 H new ATOM 1399 N ALA A 87 -4.967 0.522 1.401 1.00 0.00 N ATOM 1400 CA ALA A 87 -4.661 0.822 2.805 1.00 0.00 C ATOM 1401 C ALA A 87 -5.630 0.075 3.739 1.00 0.00 C ATOM 1402 O ALA A 87 -5.206 -0.556 4.709 1.00 0.00 O ATOM 1403 CB ALA A 87 -4.709 2.336 3.050 1.00 0.00 C ATOM 0 H ALA A 87 -5.300 1.319 0.858 1.00 0.00 H new ATOM 0 HA ALA A 87 -3.651 0.477 3.026 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -4.480 2.543 4.095 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -3.976 2.831 2.413 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -5.705 2.711 2.816 1.00 0.00 H new ATOM 1409 N GLN A 88 -6.920 0.062 3.380 1.00 0.00 N ATOM 1410 CA GLN A 88 -7.931 -0.783 4.026 1.00 0.00 C ATOM 1411 C GLN A 88 -7.636 -2.286 3.798 1.00 0.00 C ATOM 1412 O GLN A 88 -7.898 -3.109 4.674 1.00 0.00 O ATOM 1413 CB GLN A 88 -9.340 -0.373 3.551 1.00 0.00 C ATOM 1414 CG GLN A 88 -9.632 1.128 3.771 1.00 0.00 C ATOM 1415 CD GLN A 88 -11.070 1.532 3.466 1.00 0.00 C ATOM 1416 OE1 GLN A 88 -11.725 2.206 4.251 1.00 0.00 O ATOM 1417 NE2 GLN A 88 -11.596 1.182 2.313 1.00 0.00 N ATOM 0 H GLN A 88 -7.293 0.641 2.628 1.00 0.00 H new ATOM 0 HA GLN A 88 -7.890 -0.628 5.104 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -9.444 -0.607 2.492 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -10.085 -0.965 4.083 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -9.406 1.384 4.806 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -8.960 1.714 3.144 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -11.055 0.621 1.655 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -12.545 1.472 2.076 1.00 0.00 H new ATOM 1426 N GLY A 89 -6.999 -2.628 2.670 1.00 0.00 N ATOM 1427 CA GLY A 89 -6.482 -3.950 2.295 1.00 0.00 C ATOM 1428 C GLY A 89 -5.415 -4.488 3.253 1.00 0.00 C ATOM 1429 O GLY A 89 -5.612 -5.515 3.902 1.00 0.00 O ATOM 0 H GLY A 89 -6.819 -1.936 1.942 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -7.311 -4.657 2.255 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -6.061 -3.894 1.291 1.00 0.00 H new ATOM 1433 N ALA A 90 -4.307 -3.759 3.384 1.00 0.00 N ATOM 1434 CA ALA A 90 -3.146 -4.083 4.217 1.00 0.00 C ATOM 1435 C ALA A 90 -3.488 -4.173 5.723 1.00 0.00 C ATOM 1436 O ALA A 90 -2.835 -4.918 6.462 1.00 0.00 O ATOM 1437 CB ALA A 90 -2.093 -3.008 3.938 1.00 0.00 C ATOM 0 H ALA A 90 -4.187 -2.878 2.885 1.00 0.00 H new ATOM 0 HA ALA A 90 -2.773 -5.075 3.962 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -1.204 -3.205 4.537 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -1.829 -3.023 2.881 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -2.495 -2.029 4.197 1.00 0.00 H new ATOM 1443 N VAL A 91 -4.525 -3.456 6.183 1.00 0.00 N ATOM 1444 CA VAL A 91 -5.012 -3.523 7.581 1.00 0.00 C ATOM 1445 C VAL A 91 -6.157 -4.530 7.794 1.00 0.00 C ATOM 1446 O VAL A 91 -6.404 -4.945 8.929 1.00 0.00 O ATOM 1447 CB VAL A 91 -5.352 -2.115 8.101 1.00 0.00 C ATOM 1448 CG1 VAL A 91 -6.703 -1.609 7.612 1.00 0.00 C ATOM 1449 CG2 VAL A 91 -5.312 -2.028 9.629 1.00 0.00 C ATOM 0 H VAL A 91 -5.055 -2.810 5.599 1.00 0.00 H new ATOM 0 HA VAL A 91 -4.193 -3.917 8.183 1.00 0.00 H new ATOM 0 HB VAL A 91 -4.573 -1.475 7.688 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -6.885 -0.612 8.013 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -6.704 -1.568 6.523 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -7.489 -2.285 7.950 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -5.559 -1.014 9.942 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -6.035 -2.725 10.052 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -4.313 -2.283 9.982 1.00 0.00 H new ATOM 1459 N GLY A 92 -6.847 -4.956 6.731 1.00 0.00 N ATOM 1460 CA GLY A 92 -7.984 -5.888 6.793 1.00 0.00 C ATOM 1461 C GLY A 92 -9.320 -5.245 7.195 1.00 0.00 C ATOM 1462 O GLY A 92 -10.166 -5.919 7.782 1.00 0.00 O ATOM 0 H GLY A 92 -6.628 -4.657 5.781 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -8.103 -6.360 5.818 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -7.749 -6.680 7.504 1.00 0.00 H new ATOM 1466 N SER A 93 -9.519 -3.952 6.921 1.00 0.00 N ATOM 1467 CA SER A 93 -10.765 -3.225 7.218 1.00 0.00 C ATOM 1468 C SER A 93 -11.849 -3.539 6.184 1.00 0.00 C ATOM 1469 O SER A 93 -11.967 -2.871 5.154 1.00 0.00 O ATOM 1470 CB SER A 93 -10.521 -1.714 7.296 1.00 0.00 C ATOM 1471 OG SER A 93 -9.838 -1.395 8.491 1.00 0.00 O ATOM 0 H SER A 93 -8.809 -3.368 6.479 1.00 0.00 H new ATOM 0 HA SER A 93 -11.115 -3.564 8.193 1.00 0.00 H new ATOM 0 HB2 SER A 93 -9.937 -1.387 6.436 1.00 0.00 H new ATOM 0 HB3 SER A 93 -11.471 -1.182 7.258 1.00 0.00 H new ATOM 0 HG SER A 93 -9.685 -0.428 8.532 1.00 0.00 H new ATOM 1477 N VAL A 94 -12.637 -4.581 6.457 1.00 0.00 N ATOM 1478 CA VAL A 94 -13.739 -5.059 5.607 1.00 0.00 C ATOM 1479 C VAL A 94 -14.867 -5.665 6.454 1.00 0.00 C ATOM 1480 O VAL A 94 -14.624 -6.222 7.530 1.00 0.00 O ATOM 1481 CB VAL A 94 -13.194 -6.042 4.547 1.00 0.00 C ATOM 1482 CG1 VAL A 94 -12.632 -7.339 5.143 1.00 0.00 C ATOM 1483 CG2 VAL A 94 -14.240 -6.402 3.489 1.00 0.00 C ATOM 0 H VAL A 94 -12.525 -5.137 7.305 1.00 0.00 H new ATOM 0 HA VAL A 94 -14.178 -4.214 5.077 1.00 0.00 H new ATOM 0 HB VAL A 94 -12.374 -5.498 4.078 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -12.268 -7.980 4.340 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -11.811 -7.103 5.820 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -13.418 -7.857 5.693 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -13.805 -7.095 2.769 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -15.098 -6.870 3.971 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -14.562 -5.497 2.973 1.00 0.00 H new ATOM 1493 N GLN A 95 -16.108 -5.553 5.981 1.00 0.00 N ATOM 1494 CA GLN A 95 -17.301 -6.179 6.557 1.00 0.00 C ATOM 1495 C GLN A 95 -18.180 -6.805 5.458 1.00 0.00 C ATOM 1496 O GLN A 95 -17.893 -6.681 4.266 1.00 0.00 O ATOM 1497 CB GLN A 95 -18.091 -5.153 7.406 1.00 0.00 C ATOM 1498 CG GLN A 95 -17.947 -5.350 8.925 1.00 0.00 C ATOM 1499 CD GLN A 95 -18.538 -6.656 9.464 1.00 0.00 C ATOM 1500 OE1 GLN A 95 -18.808 -7.607 8.741 1.00 0.00 O ATOM 1501 NE2 GLN A 95 -18.747 -6.764 10.753 1.00 0.00 N ATOM 0 H GLN A 95 -16.320 -5.000 5.150 1.00 0.00 H new ATOM 0 HA GLN A 95 -16.986 -6.987 7.217 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -17.755 -4.149 7.147 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -19.147 -5.214 7.141 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -16.889 -5.313 9.183 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -18.428 -4.514 9.432 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -18.529 -5.983 11.372 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -19.128 -7.629 11.137 1.00 0.00 H new ATOM 1510 N ILE A 96 -19.232 -7.519 5.874 1.00 0.00 N ATOM 1511 CA ILE A 96 -20.148 -8.292 5.015 1.00 0.00 C ATOM 1512 C ILE A 96 -19.349 -9.169 4.021 1.00 0.00 C ATOM 1513 O ILE A 96 -19.390 -8.937 2.810 1.00 0.00 O ATOM 1514 CB ILE A 96 -21.222 -7.386 4.346 1.00 0.00 C ATOM 1515 CG1 ILE A 96 -21.944 -6.486 5.379 1.00 0.00 C ATOM 1516 CG2 ILE A 96 -22.286 -8.256 3.647 1.00 0.00 C ATOM 1517 CD1 ILE A 96 -22.860 -5.412 4.777 1.00 0.00 C ATOM 0 H ILE A 96 -19.483 -7.579 6.861 1.00 0.00 H new ATOM 0 HA ILE A 96 -20.718 -8.980 5.639 1.00 0.00 H new ATOM 0 HB ILE A 96 -20.701 -6.754 3.627 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -22.537 -7.120 6.038 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -21.193 -5.996 5.999 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -23.033 -7.613 3.182 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -21.809 -8.870 2.883 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -22.769 -8.901 4.382 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -23.319 -4.834 5.579 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -22.274 -4.748 4.142 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -23.639 -5.890 4.182 1.00 0.00 H new ATOM 1529 N PRO A 97 -18.584 -10.171 4.509 1.00 0.00 N ATOM 1530 CA PRO A 97 -17.712 -10.980 3.655 1.00 0.00 C ATOM 1531 C PRO A 97 -18.454 -12.133 2.956 1.00 0.00 C ATOM 1532 O PRO A 97 -17.841 -12.901 2.217 1.00 0.00 O ATOM 1533 CB PRO A 97 -16.592 -11.453 4.582 1.00 0.00 C ATOM 1534 CG PRO A 97 -17.285 -11.603 5.934 1.00 0.00 C ATOM 1535 CD PRO A 97 -18.433 -10.594 5.903 1.00 0.00 C ATOM 0 HA PRO A 97 -17.319 -10.404 2.817 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -16.163 -12.397 4.244 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -15.777 -10.731 4.627 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -17.655 -12.618 6.077 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -16.599 -11.395 6.755 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -19.354 -11.044 6.273 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -18.215 -9.740 6.545 1.00 0.00 H new ATOM 1543 N VAL A 98 -19.768 -12.272 3.192 1.00 0.00 N ATOM 1544 CA VAL A 98 -20.649 -13.277 2.554 1.00 0.00 C ATOM 1545 C VAL A 98 -20.110 -14.715 2.698 1.00 0.00 C ATOM 1546 O VAL A 98 -19.994 -15.480 1.736 1.00 0.00 O ATOM 1547 CB VAL A 98 -21.053 -12.885 1.110 1.00 0.00 C ATOM 1548 CG1 VAL A 98 -22.336 -13.616 0.686 1.00 0.00 C ATOM 1549 CG2 VAL A 98 -21.355 -11.384 0.967 1.00 0.00 C ATOM 0 H VAL A 98 -20.266 -11.673 3.850 1.00 0.00 H new ATOM 0 HA VAL A 98 -21.585 -13.276 3.112 1.00 0.00 H new ATOM 0 HB VAL A 98 -20.201 -13.158 0.488 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -22.601 -13.326 -0.331 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -22.171 -14.693 0.725 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -23.148 -13.349 1.363 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -21.632 -11.165 -0.064 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -22.177 -11.114 1.629 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -20.469 -10.808 1.234 1.00 0.00 H new ATOM 1559 N VAL A 99 -19.754 -15.071 3.937 1.00 0.00 N ATOM 1560 CA VAL A 99 -19.371 -16.427 4.388 1.00 0.00 C ATOM 1561 C VAL A 99 -20.138 -16.823 5.663 1.00 0.00 C ATOM 1562 O VAL A 99 -19.595 -17.424 6.595 1.00 0.00 O ATOM 1563 CB VAL A 99 -17.841 -16.617 4.492 1.00 0.00 C ATOM 1564 CG1 VAL A 99 -17.175 -16.491 3.122 1.00 0.00 C ATOM 1565 CG2 VAL A 99 -17.163 -15.628 5.445 1.00 0.00 C ATOM 0 H VAL A 99 -19.721 -14.391 4.697 1.00 0.00 H new ATOM 0 HA VAL A 99 -19.677 -17.130 3.614 1.00 0.00 H new ATOM 0 HB VAL A 99 -17.709 -17.621 4.895 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -16.099 -16.629 3.226 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -17.575 -17.252 2.452 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -17.375 -15.502 2.710 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -16.090 -15.821 5.467 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -17.341 -14.610 5.100 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -17.574 -15.748 6.447 1.00 0.00 H new ATOM 1575 N GLU A 100 -21.430 -16.485 5.667 1.00 0.00 N ATOM 1576 CA GLU A 100 -22.456 -16.808 6.669 1.00 0.00 C ATOM 1577 C GLU A 100 -22.285 -16.134 8.057 1.00 0.00 C ATOM 1578 O GLU A 100 -21.316 -15.417 8.330 1.00 0.00 O ATOM 1579 CB GLU A 100 -22.705 -18.334 6.689 1.00 0.00 C ATOM 1580 CG GLU A 100 -23.363 -18.883 5.404 1.00 0.00 C ATOM 1581 CD GLU A 100 -22.444 -18.978 4.174 1.00 0.00 C ATOM 1582 OE1 GLU A 100 -21.628 -19.929 4.097 1.00 0.00 O ATOM 1583 OE2 GLU A 100 -22.588 -18.164 3.225 1.00 0.00 O ATOM 0 H GLU A 100 -21.821 -15.931 4.905 1.00 0.00 H new ATOM 0 HA GLU A 100 -23.382 -16.332 6.347 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -21.754 -18.844 6.844 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -23.340 -18.577 7.541 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -23.760 -19.876 5.616 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -24.212 -18.248 5.152 1.00 0.00 H new ATOM 1591 N VAL A 101 -23.306 -16.276 8.915 1.00 0.00 N ATOM 1592 CA VAL A 101 -23.567 -15.409 10.092 1.00 0.00 C ATOM 1593 C VAL A 101 -22.520 -15.418 11.219 1.00 0.00 C ATOM 1594 O VAL A 101 -22.586 -14.575 12.116 1.00 0.00 O ATOM 1595 CB VAL A 101 -24.975 -15.643 10.682 1.00 0.00 C ATOM 1596 CG1 VAL A 101 -26.066 -15.128 9.736 1.00 0.00 C ATOM 1597 CG2 VAL A 101 -25.251 -17.113 11.016 1.00 0.00 C ATOM 0 H VAL A 101 -23.999 -17.018 8.813 1.00 0.00 H new ATOM 0 HA VAL A 101 -23.493 -14.412 9.659 1.00 0.00 H new ATOM 0 HB VAL A 101 -24.999 -15.080 11.615 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -27.046 -15.307 10.179 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -25.931 -14.059 9.573 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -25.998 -15.652 8.783 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -26.256 -17.210 11.426 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -25.169 -17.714 10.110 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -24.524 -17.462 11.749 1.00 0.00 H new ATOM 1607 N ASP A 102 -21.518 -16.300 11.190 1.00 0.00 N ATOM 1608 CA ASP A 102 -20.408 -16.275 12.157 1.00 0.00 C ATOM 1609 C ASP A 102 -19.289 -15.282 11.739 1.00 0.00 C ATOM 1610 O ASP A 102 -18.380 -15.016 12.528 1.00 0.00 O ATOM 1611 CB ASP A 102 -19.912 -17.715 12.398 1.00 0.00 C ATOM 1612 CG ASP A 102 -19.385 -17.968 13.816 1.00 0.00 C ATOM 1613 OD1 ASP A 102 -18.201 -17.655 14.097 1.00 0.00 O ATOM 1614 OD2 ASP A 102 -20.133 -18.544 14.642 1.00 0.00 O ATOM 0 H ASP A 102 -21.449 -17.049 10.501 1.00 0.00 H new ATOM 0 HA ASP A 102 -20.765 -15.889 13.111 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -20.729 -18.408 12.197 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -19.121 -17.940 11.683 1.00 0.00 H new ATOM 1620 N GLU A 103 -19.336 -14.700 10.531 1.00 0.00 N ATOM 1621 CA GLU A 103 -18.407 -13.638 10.069 1.00 0.00 C ATOM 1622 C GLU A 103 -19.095 -12.403 9.453 1.00 0.00 C ATOM 1623 O GLU A 103 -18.468 -11.351 9.336 1.00 0.00 O ATOM 1624 CB GLU A 103 -17.365 -14.242 9.109 1.00 0.00 C ATOM 1625 CG GLU A 103 -16.035 -13.468 8.978 1.00 0.00 C ATOM 1626 CD GLU A 103 -15.148 -13.465 10.234 1.00 0.00 C ATOM 1627 OE1 GLU A 103 -15.161 -14.448 11.010 1.00 0.00 O ATOM 1628 OE2 GLU A 103 -14.423 -12.475 10.498 1.00 0.00 O ATOM 0 H GLU A 103 -20.031 -14.954 9.829 1.00 0.00 H new ATOM 0 HA GLU A 103 -17.912 -13.254 10.961 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -17.141 -15.256 9.439 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -17.815 -14.321 8.119 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -15.465 -13.895 8.153 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -16.260 -12.436 8.710 1.00 0.00 H new ATOM 1636 N LEU A 104 -20.385 -12.474 9.112 1.00 0.00 N ATOM 1637 CA LEU A 104 -21.212 -11.292 8.806 1.00 0.00 C ATOM 1638 C LEU A 104 -21.390 -10.372 10.044 1.00 0.00 C ATOM 1639 O LEU A 104 -21.138 -10.815 11.173 1.00 0.00 O ATOM 1640 CB LEU A 104 -22.575 -11.783 8.284 1.00 0.00 C ATOM 1641 CG LEU A 104 -22.562 -12.496 6.920 1.00 0.00 C ATOM 1642 CD1 LEU A 104 -23.906 -13.166 6.652 1.00 0.00 C ATOM 1643 CD2 LEU A 104 -22.320 -11.504 5.786 1.00 0.00 C ATOM 0 H LEU A 104 -20.892 -13.356 9.039 1.00 0.00 H new ATOM 0 HA LEU A 104 -20.712 -10.690 8.047 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -23.000 -12.463 9.022 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -23.245 -10.926 8.217 1.00 0.00 H new ATOM 0 HG LEU A 104 -21.761 -13.235 6.956 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -23.877 -13.665 5.683 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -24.109 -13.900 7.432 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -24.694 -12.413 6.649 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -22.316 -12.034 4.834 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -23.113 -10.756 5.781 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -21.358 -11.012 5.932 1.00 0.00 H new ATOM 1655 N PRO A 105 -21.834 -9.105 9.878 1.00 0.00 N ATOM 1656 CA PRO A 105 -22.146 -8.204 10.999 1.00 0.00 C ATOM 1657 C PRO A 105 -23.180 -8.774 11.986 1.00 0.00 C ATOM 1658 O PRO A 105 -24.064 -9.541 11.596 1.00 0.00 O ATOM 1659 CB PRO A 105 -22.662 -6.904 10.378 1.00 0.00 C ATOM 1660 CG PRO A 105 -22.167 -6.925 8.935 1.00 0.00 C ATOM 1661 CD PRO A 105 -21.947 -8.404 8.605 1.00 0.00 C ATOM 0 HA PRO A 105 -21.245 -8.054 11.594 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -23.750 -6.852 10.420 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -22.281 -6.034 10.912 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -22.898 -6.476 8.262 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -21.243 -6.356 8.828 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -22.778 -8.797 8.019 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -21.045 -8.537 8.008 1.00 0.00 H new ATOM 1669 N GLU A 106 -23.124 -8.369 13.258 1.00 0.00 N ATOM 1670 CA GLU A 106 -24.075 -8.830 14.284 1.00 0.00 C ATOM 1671 C GLU A 106 -25.514 -8.376 13.958 1.00 0.00 C ATOM 1672 O GLU A 106 -25.791 -7.179 13.808 1.00 0.00 O ATOM 1673 CB GLU A 106 -23.621 -8.379 15.688 1.00 0.00 C ATOM 1674 CG GLU A 106 -24.044 -9.378 16.778 1.00 0.00 C ATOM 1675 CD GLU A 106 -23.513 -8.993 18.169 1.00 0.00 C ATOM 1676 OE1 GLU A 106 -24.339 -8.683 19.064 1.00 0.00 O ATOM 1677 OE2 GLU A 106 -22.274 -8.986 18.386 1.00 0.00 O ATOM 0 H GLU A 106 -22.423 -7.716 13.608 1.00 0.00 H new ATOM 0 HA GLU A 106 -24.084 -9.920 14.281 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -22.537 -8.267 15.700 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -24.045 -7.400 15.909 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -25.132 -9.435 16.811 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -23.680 -10.372 16.516 1.00 0.00 H new ATOM 1685 N GLY A 107 -26.417 -9.348 13.810 1.00 0.00 N ATOM 1686 CA GLY A 107 -27.809 -9.164 13.382 1.00 0.00 C ATOM 1687 C GLY A 107 -28.045 -9.121 11.860 1.00 0.00 C ATOM 1688 O GLY A 107 -29.205 -9.126 11.440 1.00 0.00 O ATOM 0 H GLY A 107 -26.191 -10.326 13.992 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -28.407 -9.973 13.800 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -28.182 -8.236 13.814 1.00 0.00 H new ATOM 1692 N TYR A 108 -27.001 -9.121 11.024 1.00 0.00 N ATOM 1693 CA TYR A 108 -27.111 -9.088 9.554 1.00 0.00 C ATOM 1694 C TYR A 108 -27.249 -10.501 8.958 1.00 0.00 C ATOM 1695 O TYR A 108 -26.415 -11.365 9.237 1.00 0.00 O ATOM 1696 CB TYR A 108 -25.889 -8.351 8.987 1.00 0.00 C ATOM 1697 CG TYR A 108 -25.898 -8.131 7.486 1.00 0.00 C ATOM 1698 CD1 TYR A 108 -25.517 -9.176 6.623 1.00 0.00 C ATOM 1699 CD2 TYR A 108 -26.261 -6.879 6.952 1.00 0.00 C ATOM 1700 CE1 TYR A 108 -25.517 -8.980 5.229 1.00 0.00 C ATOM 1701 CE2 TYR A 108 -26.249 -6.674 5.559 1.00 0.00 C ATOM 1702 CZ TYR A 108 -25.875 -7.726 4.694 1.00 0.00 C ATOM 1703 OH TYR A 108 -25.831 -7.530 3.349 1.00 0.00 O ATOM 0 H TYR A 108 -26.036 -9.144 11.352 1.00 0.00 H new ATOM 0 HA TYR A 108 -28.019 -8.553 9.274 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -25.811 -7.381 9.478 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -24.993 -8.914 9.249 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -25.224 -10.132 7.032 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -26.549 -6.075 7.613 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -25.243 -9.790 4.570 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -26.526 -5.713 5.152 1.00 0.00 H new ATOM 0 HH TYR A 108 -26.108 -6.613 3.143 1.00 0.00 H new ATOM 1713 N ASP A 109 -28.253 -10.727 8.104 1.00 0.00 N ATOM 1714 CA ASP A 109 -28.629 -12.034 7.523 1.00 0.00 C ATOM 1715 C ASP A 109 -28.948 -13.142 8.565 1.00 0.00 C ATOM 1716 O ASP A 109 -28.806 -12.947 9.777 1.00 0.00 O ATOM 1717 CB ASP A 109 -27.578 -12.466 6.476 1.00 0.00 C ATOM 1718 CG ASP A 109 -28.153 -13.165 5.239 1.00 0.00 C ATOM 1719 OD1 ASP A 109 -29.203 -13.841 5.332 1.00 0.00 O ATOM 1720 OD2 ASP A 109 -27.553 -13.034 4.142 1.00 0.00 O ATOM 0 H ASP A 109 -28.858 -9.973 7.780 1.00 0.00 H new ATOM 0 HA ASP A 109 -29.584 -11.891 7.018 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -27.024 -11.585 6.153 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -26.863 -13.135 6.954 1.00 0.00 H new ATOM 1726 N ARG A 110 -29.437 -14.302 8.105 1.00 0.00 N ATOM 1727 CA ARG A 110 -29.875 -15.454 8.925 1.00 0.00 C ATOM 1728 C ARG A 110 -29.507 -16.796 8.270 1.00 0.00 C ATOM 1729 O ARG A 110 -29.434 -16.880 7.038 1.00 0.00 O ATOM 1730 CB ARG A 110 -31.398 -15.379 9.180 1.00 0.00 C ATOM 1731 CG ARG A 110 -31.822 -14.143 9.995 1.00 0.00 C ATOM 1732 CD ARG A 110 -33.333 -14.103 10.258 1.00 0.00 C ATOM 1733 NE ARG A 110 -33.737 -12.841 10.912 1.00 0.00 N ATOM 1734 CZ ARG A 110 -33.672 -12.553 12.201 1.00 0.00 C ATOM 1735 NH1 ARG A 110 -33.303 -13.405 13.109 1.00 0.00 N ATOM 1736 NH2 ARG A 110 -33.990 -11.377 12.647 1.00 0.00 N ATOM 0 H ARG A 110 -29.545 -14.477 7.106 1.00 0.00 H new ATOM 0 HA ARG A 110 -29.349 -15.400 9.878 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -31.919 -15.370 8.223 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -31.715 -16.279 9.707 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -31.291 -14.139 10.947 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -31.525 -13.240 9.461 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -33.870 -14.214 9.316 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -33.616 -14.947 10.887 1.00 0.00 H new ATOM 0 HE ARG A 110 -34.107 -12.112 10.302 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -33.044 -14.355 12.842 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -33.272 -13.124 14.089 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -34.298 -10.652 11.999 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -33.932 -11.177 13.646 1.00 0.00 H new ATOM 1750 N SER A 111 -29.324 -17.837 9.093 1.00 0.00 N ATOM 1751 CA SER A 111 -29.130 -19.247 8.685 1.00 0.00 C ATOM 1752 C SER A 111 -30.397 -20.071 8.896 1.00 0.00 C ATOM 1753 O SER A 111 -31.282 -20.039 8.013 1.00 0.00 O ATOM 1754 CB SER A 111 -27.903 -19.838 9.396 1.00 0.00 C ATOM 1755 OG SER A 111 -26.787 -19.723 8.525 1.00 0.00 O ATOM 1756 OXT SER A 111 -30.554 -20.742 9.940 1.00 0.00 O ATOM 0 H SER A 111 -29.305 -17.721 10.106 1.00 0.00 H new ATOM 0 HA SER A 111 -28.931 -19.281 7.614 1.00 0.00 H new ATOM 0 HB2 SER A 111 -27.713 -19.308 10.329 1.00 0.00 H new ATOM 0 HB3 SER A 111 -28.079 -20.883 9.653 1.00 0.00 H new ATOM 0 HG SER A 111 -25.992 -20.094 8.962 1.00 0.00 H new TER 1762 SER A 111 ATOM 1763 N MET B -4 7.866 3.250 -10.639 1.00 0.00 N ATOM 1764 CA MET B -4 6.437 3.076 -10.960 1.00 0.00 C ATOM 1765 C MET B -4 5.690 2.299 -9.877 1.00 0.00 C ATOM 1766 O MET B -4 4.626 2.743 -9.456 1.00 0.00 O ATOM 1767 CB MET B -4 6.237 2.469 -12.356 1.00 0.00 C ATOM 1768 CG MET B -4 4.783 2.640 -12.819 1.00 0.00 C ATOM 1769 SD MET B -4 4.433 2.040 -14.495 1.00 0.00 S ATOM 1770 CE MET B -4 2.710 2.593 -14.634 1.00 0.00 C ATOM 0 H1 MET B -4 8.177 4.196 -10.940 1.00 0.00 H new ATOM 0 H2 MET B -4 8.006 3.150 -9.613 1.00 0.00 H new ATOM 0 H3 MET B -4 8.424 2.527 -11.137 1.00 0.00 H new ATOM 0 HA MET B -4 5.994 4.072 -10.982 1.00 0.00 H new ATOM 0 HB2 MET B -4 6.909 2.950 -13.067 1.00 0.00 H new ATOM 0 HB3 MET B -4 6.496 1.410 -12.338 1.00 0.00 H new ATOM 0 HG2 MET B -4 4.131 2.117 -12.119 1.00 0.00 H new ATOM 0 HG3 MET B -4 4.523 3.697 -12.767 1.00 0.00 H new ATOM 0 HE1 MET B -4 2.315 2.311 -15.610 1.00 0.00 H new ATOM 0 HE2 MET B -4 2.113 2.124 -13.852 1.00 0.00 H new ATOM 0 HE3 MET B -4 2.666 3.676 -14.523 1.00 0.00 H new ATOM 1781 N GLU B -3 6.194 1.145 -9.431 1.00 0.00 N ATOM 1782 CA GLU B -3 5.504 0.232 -8.501 1.00 0.00 C ATOM 1783 C GLU B -3 5.433 0.705 -7.027 1.00 0.00 C ATOM 1784 O GLU B -3 4.838 0.012 -6.193 1.00 0.00 O ATOM 1785 CB GLU B -3 6.151 -1.160 -8.574 1.00 0.00 C ATOM 1786 CG GLU B -3 6.127 -1.818 -9.957 1.00 0.00 C ATOM 1787 CD GLU B -3 6.657 -3.250 -9.837 1.00 0.00 C ATOM 1788 OE1 GLU B -3 7.887 -3.456 -9.980 1.00 0.00 O ATOM 1789 OE2 GLU B -3 5.863 -4.167 -9.508 1.00 0.00 O ATOM 0 H GLU B -3 7.115 0.807 -9.710 1.00 0.00 H new ATOM 0 HA GLU B -3 4.467 0.209 -8.837 1.00 0.00 H new ATOM 0 HB2 GLU B -3 7.187 -1.079 -8.246 1.00 0.00 H new ATOM 0 HB3 GLU B -3 5.643 -1.817 -7.868 1.00 0.00 H new ATOM 0 HG2 GLU B -3 5.112 -1.824 -10.353 1.00 0.00 H new ATOM 0 HG3 GLU B -3 6.739 -1.248 -10.656 1.00 0.00 H new ATOM 1797 N GLU B -2 6.001 1.871 -6.697 1.00 0.00 N ATOM 1798 CA GLU B -2 5.953 2.522 -5.379 1.00 0.00 C ATOM 1799 C GLU B -2 6.603 1.659 -4.272 1.00 0.00 C ATOM 1800 O GLU B -2 7.804 1.382 -4.321 1.00 0.00 O ATOM 1801 CB GLU B -2 4.510 3.024 -5.097 1.00 0.00 C ATOM 1802 CG GLU B -2 4.363 4.077 -3.982 1.00 0.00 C ATOM 1803 CD GLU B -2 4.309 5.516 -4.515 1.00 0.00 C ATOM 1804 OE1 GLU B -2 3.194 6.018 -4.825 1.00 0.00 O ATOM 1805 OE2 GLU B -2 5.375 6.158 -4.590 1.00 0.00 O ATOM 0 H GLU B -2 6.534 2.415 -7.375 1.00 0.00 H new ATOM 0 HA GLU B -2 6.580 3.414 -5.380 1.00 0.00 H new ATOM 0 HB2 GLU B -2 4.106 3.442 -6.019 1.00 0.00 H new ATOM 0 HB3 GLU B -2 3.892 2.164 -4.840 1.00 0.00 H new ATOM 0 HG2 GLU B -2 3.455 3.872 -3.414 1.00 0.00 H new ATOM 0 HG3 GLU B -2 5.200 3.984 -3.290 1.00 0.00 H new ATOM 1813 N VAL B -1 5.844 1.249 -3.251 1.00 0.00 N ATOM 1814 CA VAL B -1 6.339 0.603 -2.024 1.00 0.00 C ATOM 1815 C VAL B -1 5.458 -0.620 -1.729 1.00 0.00 C ATOM 1816 O VAL B -1 4.415 -0.495 -1.093 1.00 0.00 O ATOM 1817 CB VAL B -1 6.396 1.659 -0.885 1.00 0.00 C ATOM 1818 CG1 VAL B -1 6.660 1.098 0.515 1.00 0.00 C ATOM 1819 CG2 VAL B -1 7.455 2.743 -1.144 1.00 0.00 C ATOM 0 H VAL B -1 4.830 1.360 -3.253 1.00 0.00 H new ATOM 0 HA VAL B -1 7.357 0.228 -2.131 1.00 0.00 H new ATOM 0 HB VAL B -1 5.389 2.075 -0.901 1.00 0.00 H new ATOM 0 HG11 VAL B -1 6.681 1.915 1.236 1.00 0.00 H new ATOM 0 HG12 VAL B -1 5.868 0.398 0.782 1.00 0.00 H new ATOM 0 HG13 VAL B -1 7.620 0.581 0.525 1.00 0.00 H new ATOM 0 HG21 VAL B -1 7.455 3.456 -0.320 1.00 0.00 H new ATOM 0 HG22 VAL B -1 8.438 2.280 -1.223 1.00 0.00 H new ATOM 0 HG23 VAL B -1 7.224 3.263 -2.074 1.00 0.00 H new ATOM 1829 N ASP B 0 5.854 -1.781 -2.269 1.00 0.00 N ATOM 1830 CA ASP B 0 5.132 -3.077 -2.290 1.00 0.00 C ATOM 1831 C ASP B 0 3.633 -2.990 -2.641 1.00 0.00 C ATOM 1832 O ASP B 0 2.749 -3.051 -1.754 1.00 0.00 O ATOM 1833 CB ASP B 0 5.500 -3.964 -1.073 1.00 0.00 C ATOM 1834 CG ASP B 0 6.387 -5.164 -1.460 1.00 0.00 C ATOM 1835 OD1 ASP B 0 5.859 -6.285 -1.685 1.00 0.00 O ATOM 1836 OD2 ASP B 0 7.625 -4.979 -1.582 1.00 0.00 O ATOM 1837 OXT ASP B 0 3.356 -2.908 -3.862 1.00 0.00 O ATOM 0 H ASP B 0 6.756 -1.852 -2.741 1.00 0.00 H new ATOM 0 HA ASP B 0 5.508 -3.620 -3.157 1.00 0.00 H new ATOM 0 HB2 ASP B 0 6.019 -3.358 -0.330 1.00 0.00 H new ATOM 0 HB3 ASP B 0 4.586 -4.329 -0.604 1.00 0.00 H new TER 1843 ASP B 0