USER MOD reduce.3.24.130724 H: found=0, std=0, add=477, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 475 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 Single : A 29 GLN : amide:sc= 0.86 K(o=0.86,f=-0.79) USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 LYS NZ :NH3+ -162:sc= 1.24 (180deg=1.15) USER MOD Single : A 32 CYS SG : rot -160:sc= -4.29! USER MOD Single : A 34 SER OG : rot 180:sc= 0.105 USER MOD Single : A 35 CYS SG : rot 180:sc= 0 USER MOD Single : A 36 HIS : no HE2:sc= -0.113 K(o=-0.11,f=-4.5!) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0.134 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ -159:sc= 2.59 (180deg=1.43) USER MOD Single : A 54 ASN : amide:sc= 0.829 K(o=0.83,f=0) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= 0.558 K(o=0.56,f=-0.44) USER MOD Single : A 68 GLN : amide:sc= 0.99 K(o=0.99,f=-5.8!) USER MOD Single : A 71 MET CE :methyl -172:sc= -0.435 (180deg=-0.524) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ -116:sc= 2.31 (180deg=-1.06!) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 19 N ASP A 23 -12.323 3.257 -2.461 1.00 0.00 N ATOM 20 CA ASP A 23 -12.203 1.863 -2.814 1.00 0.00 C ATOM 21 C ASP A 23 -10.741 1.483 -2.634 1.00 0.00 C ATOM 22 O ASP A 23 -9.896 1.852 -3.447 1.00 0.00 O ATOM 23 CB ASP A 23 -12.700 1.672 -4.252 1.00 0.00 C ATOM 24 CG ASP A 23 -14.206 1.869 -4.395 1.00 0.00 C ATOM 25 OD1 ASP A 23 -14.786 2.551 -3.517 1.00 0.00 O ATOM 26 OD2 ASP A 23 -14.739 1.367 -5.404 1.00 0.00 O ATOM 0 HA ASP A 23 -12.811 1.214 -2.183 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -12.184 2.376 -4.905 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -12.437 0.670 -4.591 1.00 0.00 H new ATOM 31 N ALA A 24 -10.441 0.790 -1.534 1.00 0.00 N ATOM 32 CA ALA A 24 -9.086 0.446 -1.132 1.00 0.00 C ATOM 33 C ALA A 24 -8.258 -0.073 -2.305 1.00 0.00 C ATOM 34 O ALA A 24 -7.154 0.404 -2.570 1.00 0.00 O ATOM 35 CB ALA A 24 -9.142 -0.636 -0.059 1.00 0.00 C ATOM 0 H ALA A 24 -11.152 0.447 -0.888 1.00 0.00 H new ATOM 0 HA ALA A 24 -8.612 1.351 -0.752 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -8.129 -0.898 0.247 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -9.697 -0.265 0.803 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -9.641 -1.519 -0.459 1.00 0.00 H new ATOM 41 N GLU A 25 -8.806 -1.064 -3.010 1.00 0.00 N ATOM 42 CA GLU A 25 -8.106 -1.630 -4.139 1.00 0.00 C ATOM 43 C GLU A 25 -7.911 -0.562 -5.207 1.00 0.00 C ATOM 44 O GLU A 25 -6.809 -0.447 -5.718 1.00 0.00 O ATOM 45 CB GLU A 25 -8.776 -2.914 -4.638 1.00 0.00 C ATOM 46 CG GLU A 25 -9.795 -2.715 -5.753 1.00 0.00 C ATOM 47 CD GLU A 25 -10.450 -4.044 -6.103 1.00 0.00 C ATOM 48 OE1 GLU A 25 -10.916 -4.706 -5.150 1.00 0.00 O ATOM 49 OE2 GLU A 25 -10.443 -4.384 -7.305 1.00 0.00 O ATOM 0 H GLU A 25 -9.718 -1.478 -2.815 1.00 0.00 H new ATOM 0 HA GLU A 25 -7.110 -1.950 -3.832 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -8.003 -3.597 -4.990 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -9.270 -3.399 -3.796 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -10.554 -1.998 -5.440 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -9.306 -2.298 -6.633 1.00 0.00 H new ATOM 56 N ALA A 26 -8.931 0.249 -5.512 1.00 0.00 N ATOM 57 CA ALA A 26 -8.829 1.306 -6.512 1.00 0.00 C ATOM 58 C ALA A 26 -7.698 2.268 -6.171 1.00 0.00 C ATOM 59 O ALA A 26 -6.929 2.629 -7.056 1.00 0.00 O ATOM 60 CB ALA A 26 -10.140 2.074 -6.666 1.00 0.00 C ATOM 0 H ALA A 26 -9.848 0.187 -5.070 1.00 0.00 H new ATOM 0 HA ALA A 26 -8.610 0.823 -7.464 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -10.020 2.852 -7.420 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -10.929 1.388 -6.974 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -10.408 2.531 -5.713 1.00 0.00 H new ATOM 66 N VAL A 27 -7.580 2.667 -4.896 1.00 0.00 N ATOM 67 CA VAL A 27 -6.405 3.396 -4.433 1.00 0.00 C ATOM 68 C VAL A 27 -5.176 2.630 -4.887 1.00 0.00 C ATOM 69 O VAL A 27 -4.416 3.178 -5.676 1.00 0.00 O ATOM 70 CB VAL A 27 -6.427 3.664 -2.915 1.00 0.00 C ATOM 71 CG1 VAL A 27 -5.186 4.456 -2.478 1.00 0.00 C ATOM 72 CG2 VAL A 27 -7.663 4.478 -2.523 1.00 0.00 C ATOM 0 H VAL A 27 -8.282 2.495 -4.176 1.00 0.00 H new ATOM 0 HA VAL A 27 -6.393 4.393 -4.874 1.00 0.00 H new ATOM 0 HB VAL A 27 -6.444 2.692 -2.421 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -5.226 4.632 -1.403 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -4.288 3.887 -2.719 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -5.162 5.412 -3.001 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -7.656 4.654 -1.447 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -7.651 5.433 -3.048 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -8.563 3.926 -2.795 1.00 0.00 H new ATOM 82 N VAL A 28 -4.952 1.378 -4.478 1.00 0.00 N ATOM 83 CA VAL A 28 -3.657 0.808 -4.796 1.00 0.00 C ATOM 84 C VAL A 28 -3.426 0.669 -6.307 1.00 0.00 C ATOM 85 O VAL A 28 -2.376 1.057 -6.834 1.00 0.00 O ATOM 86 CB VAL A 28 -3.434 -0.437 -3.946 1.00 0.00 C ATOM 87 CG1 VAL A 28 -2.043 -1.030 -4.136 1.00 0.00 C ATOM 88 CG2 VAL A 28 -3.587 -0.049 -2.468 1.00 0.00 C ATOM 0 H VAL A 28 -5.602 0.783 -3.964 1.00 0.00 H new ATOM 0 HA VAL A 28 -2.859 1.497 -4.518 1.00 0.00 H new ATOM 0 HB VAL A 28 -4.166 -1.184 -4.253 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -1.936 -1.915 -3.508 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -1.906 -1.308 -5.181 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -1.291 -0.292 -3.855 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -3.431 -0.928 -1.843 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -2.850 0.713 -2.214 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -4.589 0.344 -2.297 1.00 0.00 H new ATOM 98 N GLN A 29 -4.478 0.226 -6.988 1.00 0.00 N ATOM 99 CA GLN A 29 -4.663 0.106 -8.422 1.00 0.00 C ATOM 100 C GLN A 29 -4.624 1.454 -9.164 1.00 0.00 C ATOM 101 O GLN A 29 -4.779 1.462 -10.382 1.00 0.00 O ATOM 102 CB GLN A 29 -5.975 -0.668 -8.670 1.00 0.00 C ATOM 103 CG GLN A 29 -5.905 -2.121 -8.172 1.00 0.00 C ATOM 104 CD GLN A 29 -4.871 -2.939 -8.936 1.00 0.00 C ATOM 105 OE1 GLN A 29 -4.620 -2.695 -10.112 1.00 0.00 O ATOM 106 NE2 GLN A 29 -4.234 -3.894 -8.269 1.00 0.00 N ATOM 0 H GLN A 29 -5.310 -0.091 -6.490 1.00 0.00 H new ATOM 0 HA GLN A 29 -3.821 -0.446 -8.839 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -6.796 -0.155 -8.169 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -6.200 -0.663 -9.737 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -5.660 -2.128 -7.110 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -6.885 -2.587 -8.276 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -4.464 -4.074 -7.292 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -3.514 -4.448 -8.734 1.00 0.00 H new ATOM 115 N GLN A 30 -4.408 2.586 -8.481 1.00 0.00 N ATOM 116 CA GLN A 30 -4.160 3.874 -9.136 1.00 0.00 C ATOM 117 C GLN A 30 -2.998 4.680 -8.535 1.00 0.00 C ATOM 118 O GLN A 30 -2.468 5.568 -9.198 1.00 0.00 O ATOM 119 CB GLN A 30 -5.452 4.705 -9.141 1.00 0.00 C ATOM 120 CG GLN A 30 -5.559 5.496 -10.451 1.00 0.00 C ATOM 121 CD GLN A 30 -6.718 6.485 -10.438 1.00 0.00 C ATOM 122 OE1 GLN A 30 -6.540 7.664 -10.721 1.00 0.00 O ATOM 123 NE2 GLN A 30 -7.919 6.022 -10.105 1.00 0.00 N ATOM 0 H GLN A 30 -4.401 2.633 -7.462 1.00 0.00 H new ATOM 0 HA GLN A 30 -3.850 3.646 -10.156 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -6.316 4.050 -9.030 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -5.458 5.388 -8.292 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -4.627 6.034 -10.625 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -5.686 4.802 -11.282 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -8.039 5.036 -9.874 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -8.720 6.653 -10.081 1.00 0.00 H new ATOM 132 N LYS A 31 -2.634 4.426 -7.277 1.00 0.00 N ATOM 133 CA LYS A 31 -1.731 5.235 -6.475 1.00 0.00 C ATOM 134 C LYS A 31 -0.420 4.500 -6.190 1.00 0.00 C ATOM 135 O LYS A 31 0.559 5.150 -5.824 1.00 0.00 O ATOM 136 CB LYS A 31 -2.458 5.600 -5.170 1.00 0.00 C ATOM 137 CG LYS A 31 -3.472 6.739 -5.364 1.00 0.00 C ATOM 138 CD LYS A 31 -2.930 8.006 -4.689 1.00 0.00 C ATOM 139 CE LYS A 31 -3.933 9.164 -4.725 1.00 0.00 C ATOM 140 NZ LYS A 31 -3.376 10.368 -4.075 1.00 0.00 N ATOM 0 H LYS A 31 -2.980 3.611 -6.771 1.00 0.00 H new ATOM 0 HA LYS A 31 -1.463 6.139 -7.021 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -2.973 4.720 -4.786 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -1.725 5.894 -4.419 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -3.638 6.919 -6.426 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -4.435 6.464 -4.933 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -2.676 7.782 -3.653 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -2.008 8.312 -5.184 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -4.193 9.392 -5.759 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -4.854 8.868 -4.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -4.148 11.023 -3.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -2.876 10.093 -3.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -2.711 10.837 -4.723 1.00 0.00 H new ATOM 154 N CYS A 32 -0.399 3.165 -6.302 1.00 0.00 N ATOM 155 CA CYS A 32 0.735 2.354 -5.881 1.00 0.00 C ATOM 156 C CYS A 32 1.285 1.527 -7.041 1.00 0.00 C ATOM 157 O CYS A 32 2.506 1.455 -7.220 1.00 0.00 O ATOM 158 CB CYS A 32 0.326 1.463 -4.709 1.00 0.00 C ATOM 159 SG CYS A 32 -0.834 2.266 -3.547 1.00 0.00 S ATOM 0 H CYS A 32 -1.172 2.623 -6.688 1.00 0.00 H new ATOM 0 HA CYS A 32 1.536 3.017 -5.552 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -0.134 0.554 -5.098 1.00 0.00 H new ATOM 0 HB3 CYS A 32 1.220 1.160 -4.165 1.00 0.00 H new ATOM 0 HG CYS A 32 -0.804 1.645 -2.405 1.00 0.00 H new ATOM 164 N ILE A 33 0.396 0.930 -7.848 1.00 0.00 N ATOM 165 CA ILE A 33 0.790 0.175 -9.034 1.00 0.00 C ATOM 166 C ILE A 33 1.778 0.959 -9.898 1.00 0.00 C ATOM 167 O ILE A 33 2.674 0.369 -10.494 1.00 0.00 O ATOM 168 CB ILE A 33 -0.425 -0.273 -9.862 1.00 0.00 C ATOM 169 CG1 ILE A 33 -1.323 0.885 -10.328 1.00 0.00 C ATOM 170 CG2 ILE A 33 -1.214 -1.342 -9.102 1.00 0.00 C ATOM 171 CD1 ILE A 33 -2.196 0.461 -11.514 1.00 0.00 C ATOM 0 H ILE A 33 -0.612 0.960 -7.693 1.00 0.00 H new ATOM 0 HA ILE A 33 1.294 -0.724 -8.679 1.00 0.00 H new ATOM 0 HB ILE A 33 -0.036 -0.708 -10.783 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -1.957 1.212 -9.504 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -0.705 1.737 -10.613 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -2.073 -1.652 -9.697 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -0.572 -2.203 -8.914 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -1.560 -0.933 -8.153 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -2.821 1.299 -11.823 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -1.559 0.157 -12.345 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -2.830 -0.375 -11.219 1.00 0.00 H new ATOM 183 N SER A 34 1.644 2.290 -9.909 1.00 0.00 N ATOM 184 CA SER A 34 2.554 3.234 -10.526 1.00 0.00 C ATOM 185 C SER A 34 4.029 2.846 -10.373 1.00 0.00 C ATOM 186 O SER A 34 4.802 3.076 -11.300 1.00 0.00 O ATOM 187 CB SER A 34 2.276 4.606 -9.910 1.00 0.00 C ATOM 188 OG SER A 34 0.875 4.814 -9.855 1.00 0.00 O ATOM 0 H SER A 34 0.852 2.752 -9.461 1.00 0.00 H new ATOM 0 HA SER A 34 2.377 3.243 -11.602 1.00 0.00 H new ATOM 0 HB2 SER A 34 2.704 4.663 -8.909 1.00 0.00 H new ATOM 0 HB3 SER A 34 2.749 5.388 -10.504 1.00 0.00 H new ATOM 0 HG SER A 34 0.690 5.691 -9.459 1.00 0.00 H new ATOM 194 N CYS A 35 4.415 2.276 -9.221 1.00 0.00 N ATOM 195 CA CYS A 35 5.753 1.729 -9.006 1.00 0.00 C ATOM 196 C CYS A 35 5.686 0.228 -8.701 1.00 0.00 C ATOM 197 O CYS A 35 6.495 -0.543 -9.214 1.00 0.00 O ATOM 198 CB CYS A 35 6.499 2.509 -7.912 1.00 0.00 C ATOM 199 SG CYS A 35 6.236 4.298 -8.127 1.00 0.00 S ATOM 0 H CYS A 35 3.801 2.184 -8.412 1.00 0.00 H new ATOM 0 HA CYS A 35 6.324 1.846 -9.927 1.00 0.00 H new ATOM 0 HB2 CYS A 35 6.147 2.198 -6.929 1.00 0.00 H new ATOM 0 HB3 CYS A 35 7.564 2.283 -7.956 1.00 0.00 H new ATOM 0 HG CYS A 35 6.870 4.945 -7.195 1.00 0.00 H new ATOM 204 N HIS A 36 4.734 -0.208 -7.872 1.00 0.00 N ATOM 205 CA HIS A 36 4.653 -1.595 -7.420 1.00 0.00 C ATOM 206 C HIS A 36 4.129 -2.570 -8.492 1.00 0.00 C ATOM 207 O HIS A 36 4.205 -3.785 -8.294 1.00 0.00 O ATOM 208 CB HIS A 36 3.848 -1.648 -6.118 1.00 0.00 C ATOM 209 CG HIS A 36 4.572 -1.069 -4.925 1.00 0.00 C ATOM 210 ND1 HIS A 36 5.469 -1.745 -4.120 1.00 0.00 N ATOM 211 CD2 HIS A 36 4.399 0.184 -4.392 1.00 0.00 C ATOM 212 CE1 HIS A 36 5.812 -0.912 -3.124 1.00 0.00 C ATOM 213 NE2 HIS A 36 5.198 0.276 -3.246 1.00 0.00 N ATOM 0 H HIS A 36 3.999 0.392 -7.497 1.00 0.00 H new ATOM 0 HA HIS A 36 5.666 -1.948 -7.226 1.00 0.00 H new ATOM 0 HB2 HIS A 36 2.912 -1.108 -6.259 1.00 0.00 H new ATOM 0 HB3 HIS A 36 3.589 -2.685 -5.905 1.00 0.00 H new ATOM 0 HD1 HIS A 36 5.807 -2.698 -4.257 1.00 0.00 H new ATOM 0 HD2 HIS A 36 3.760 0.961 -4.786 1.00 0.00 H new ATOM 0 HE1 HIS A 36 6.495 -1.165 -2.326 1.00 0.00 H new ATOM 221 N GLY A 37 3.654 -2.070 -9.639 1.00 0.00 N ATOM 222 CA GLY A 37 3.458 -2.847 -10.859 1.00 0.00 C ATOM 223 C GLY A 37 2.002 -2.867 -11.321 1.00 0.00 C ATOM 224 O GLY A 37 1.617 -2.103 -12.201 1.00 0.00 O ATOM 0 H GLY A 37 3.390 -1.090 -9.742 1.00 0.00 H new ATOM 0 HA2 GLY A 37 4.080 -2.433 -11.652 1.00 0.00 H new ATOM 0 HA3 GLY A 37 3.795 -3.870 -10.691 1.00 0.00 H new ATOM 228 N GLY A 38 1.207 -3.781 -10.763 1.00 0.00 N ATOM 229 CA GLY A 38 -0.169 -4.018 -11.190 1.00 0.00 C ATOM 230 C GLY A 38 -0.894 -4.844 -10.132 1.00 0.00 C ATOM 231 O GLY A 38 -1.793 -4.357 -9.455 1.00 0.00 O ATOM 0 H GLY A 38 1.505 -4.382 -9.995 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -0.683 -3.069 -11.341 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -0.179 -4.542 -12.146 1.00 0.00 H new ATOM 235 N ASP A 39 -0.439 -6.079 -9.927 1.00 0.00 N ATOM 236 CA ASP A 39 -0.916 -6.957 -8.860 1.00 0.00 C ATOM 237 C ASP A 39 -0.182 -6.699 -7.536 1.00 0.00 C ATOM 238 O ASP A 39 -0.382 -7.419 -6.564 1.00 0.00 O ATOM 239 CB ASP A 39 -0.827 -8.419 -9.314 1.00 0.00 C ATOM 240 CG ASP A 39 -2.041 -8.795 -10.151 1.00 0.00 C ATOM 241 OD1 ASP A 39 -1.967 -8.580 -11.380 1.00 0.00 O ATOM 242 OD2 ASP A 39 -3.021 -9.273 -9.542 1.00 0.00 O ATOM 0 H ASP A 39 0.284 -6.505 -10.508 1.00 0.00 H new ATOM 0 HA ASP A 39 -1.964 -6.732 -8.661 1.00 0.00 H new ATOM 0 HB2 ASP A 39 0.083 -8.570 -9.895 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -0.762 -9.072 -8.444 1.00 0.00 H new ATOM 247 N LEU A 40 0.707 -5.697 -7.507 1.00 0.00 N ATOM 248 CA LEU A 40 1.566 -5.356 -6.377 1.00 0.00 C ATOM 249 C LEU A 40 2.607 -6.438 -6.118 1.00 0.00 C ATOM 250 O LEU A 40 3.126 -6.583 -5.008 1.00 0.00 O ATOM 251 CB LEU A 40 0.768 -4.992 -5.120 1.00 0.00 C ATOM 252 CG LEU A 40 -0.224 -3.830 -5.290 1.00 0.00 C ATOM 253 CD1 LEU A 40 0.345 -2.718 -6.175 1.00 0.00 C ATOM 254 CD2 LEU A 40 -1.603 -4.268 -5.776 1.00 0.00 C ATOM 0 H LEU A 40 0.849 -5.079 -8.306 1.00 0.00 H new ATOM 0 HA LEU A 40 2.110 -4.453 -6.653 1.00 0.00 H new ATOM 0 HB2 LEU A 40 0.218 -5.873 -4.790 1.00 0.00 H new ATOM 0 HB3 LEU A 40 1.469 -4.737 -4.325 1.00 0.00 H new ATOM 0 HG LEU A 40 -0.369 -3.426 -4.288 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -0.388 -1.917 -6.269 1.00 0.00 H new ATOM 0 HD12 LEU A 40 1.256 -2.325 -5.725 1.00 0.00 H new ATOM 0 HD13 LEU A 40 0.572 -3.119 -7.163 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -2.249 -3.395 -5.873 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -1.508 -4.758 -6.745 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -2.038 -4.964 -5.058 1.00 0.00 H new ATOM 266 N THR A 41 2.957 -7.134 -7.197 1.00 0.00 N ATOM 267 CA THR A 41 3.979 -8.147 -7.283 1.00 0.00 C ATOM 268 C THR A 41 5.378 -7.523 -7.244 1.00 0.00 C ATOM 269 O THR A 41 6.350 -8.247 -7.053 1.00 0.00 O ATOM 270 CB THR A 41 3.714 -8.887 -8.599 1.00 0.00 C ATOM 271 OG1 THR A 41 3.414 -7.933 -9.606 1.00 0.00 O ATOM 272 CG2 THR A 41 2.492 -9.799 -8.443 1.00 0.00 C ATOM 0 H THR A 41 2.494 -6.986 -8.094 1.00 0.00 H new ATOM 0 HA THR A 41 3.945 -8.833 -6.437 1.00 0.00 H new ATOM 0 HB THR A 41 4.593 -9.476 -8.863 1.00 0.00 H new ATOM 0 HG1 THR A 41 3.244 -8.395 -10.454 1.00 0.00 H new ATOM 0 HG21 THR A 41 2.307 -10.323 -9.381 1.00 0.00 H new ATOM 0 HG22 THR A 41 2.679 -10.525 -7.652 1.00 0.00 H new ATOM 0 HG23 THR A 41 1.620 -9.198 -8.185 1.00 0.00 H new ATOM 280 N GLY A 42 5.489 -6.197 -7.409 1.00 0.00 N ATOM 281 CA GLY A 42 6.738 -5.478 -7.238 1.00 0.00 C ATOM 282 C GLY A 42 7.453 -5.314 -8.575 1.00 0.00 C ATOM 283 O GLY A 42 8.112 -6.243 -9.039 1.00 0.00 O ATOM 0 H GLY A 42 4.704 -5.599 -7.666 1.00 0.00 H new ATOM 0 HA2 GLY A 42 6.543 -4.498 -6.802 1.00 0.00 H new ATOM 0 HA3 GLY A 42 7.380 -6.015 -6.540 1.00 0.00 H new ATOM 287 N ALA A 43 7.310 -4.142 -9.205 1.00 0.00 N ATOM 288 CA ALA A 43 7.975 -3.818 -10.463 1.00 0.00 C ATOM 289 C ALA A 43 9.175 -2.903 -10.205 1.00 0.00 C ATOM 290 O ALA A 43 10.315 -3.357 -10.199 1.00 0.00 O ATOM 291 CB ALA A 43 6.960 -3.212 -11.437 1.00 0.00 C ATOM 0 H ALA A 43 6.723 -3.388 -8.849 1.00 0.00 H new ATOM 0 HA ALA A 43 8.368 -4.723 -10.926 1.00 0.00 H new ATOM 0 HB1 ALA A 43 7.457 -2.970 -12.376 1.00 0.00 H new ATOM 0 HB2 ALA A 43 6.161 -3.930 -11.623 1.00 0.00 H new ATOM 0 HB3 ALA A 43 6.539 -2.304 -11.005 1.00 0.00 H new ATOM 297 N SER A 44 8.919 -1.613 -9.971 1.00 0.00 N ATOM 298 CA SER A 44 9.932 -0.613 -9.632 1.00 0.00 C ATOM 299 C SER A 44 10.129 -0.503 -8.116 1.00 0.00 C ATOM 300 O SER A 44 10.870 0.357 -7.648 1.00 0.00 O ATOM 301 CB SER A 44 9.515 0.746 -10.202 1.00 0.00 C ATOM 302 OG SER A 44 9.218 0.634 -11.580 1.00 0.00 O ATOM 0 H SER A 44 7.976 -1.226 -10.014 1.00 0.00 H new ATOM 0 HA SER A 44 10.880 -0.926 -10.069 1.00 0.00 H new ATOM 0 HB2 SER A 44 8.643 1.120 -9.665 1.00 0.00 H new ATOM 0 HB3 SER A 44 10.316 1.470 -10.054 1.00 0.00 H new ATOM 0 HG SER A 44 8.952 1.510 -11.929 1.00 0.00 H new ATOM 308 N ALA A 45 9.405 -1.318 -7.351 1.00 0.00 N ATOM 309 CA ALA A 45 9.350 -1.326 -5.902 1.00 0.00 C ATOM 310 C ALA A 45 9.168 -2.792 -5.503 1.00 0.00 C ATOM 311 O ALA A 45 8.757 -3.579 -6.357 1.00 0.00 O ATOM 312 CB ALA A 45 8.155 -0.465 -5.494 1.00 0.00 C ATOM 0 H ALA A 45 8.805 -2.034 -7.760 1.00 0.00 H new ATOM 0 HA ALA A 45 10.239 -0.925 -5.416 1.00 0.00 H new ATOM 0 HB1 ALA A 45 8.076 -0.444 -4.407 1.00 0.00 H new ATOM 0 HB2 ALA A 45 8.293 0.550 -5.868 1.00 0.00 H new ATOM 0 HB3 ALA A 45 7.242 -0.886 -5.916 1.00 0.00 H new ATOM 318 N PRO A 46 9.472 -3.192 -4.260 1.00 0.00 N ATOM 319 CA PRO A 46 9.299 -4.567 -3.824 1.00 0.00 C ATOM 320 C PRO A 46 7.822 -4.975 -3.840 1.00 0.00 C ATOM 321 O PRO A 46 6.919 -4.137 -3.921 1.00 0.00 O ATOM 322 CB PRO A 46 9.907 -4.640 -2.418 1.00 0.00 C ATOM 323 CG PRO A 46 9.808 -3.201 -1.918 1.00 0.00 C ATOM 324 CD PRO A 46 10.010 -2.376 -3.189 1.00 0.00 C ATOM 0 HA PRO A 46 9.795 -5.268 -4.495 1.00 0.00 H new ATOM 0 HB2 PRO A 46 9.356 -5.328 -1.777 1.00 0.00 H new ATOM 0 HB3 PRO A 46 10.940 -4.987 -2.444 1.00 0.00 H new ATOM 0 HG2 PRO A 46 8.841 -3.000 -1.457 1.00 0.00 H new ATOM 0 HG3 PRO A 46 10.570 -2.981 -1.170 1.00 0.00 H new ATOM 0 HD2 PRO A 46 9.492 -1.419 -3.124 1.00 0.00 H new ATOM 0 HD3 PRO A 46 11.065 -2.157 -3.353 1.00 0.00 H new ATOM 332 N ALA A 47 7.591 -6.290 -3.771 1.00 0.00 N ATOM 333 CA ALA A 47 6.262 -6.870 -3.747 1.00 0.00 C ATOM 334 C ALA A 47 5.550 -6.441 -2.469 1.00 0.00 C ATOM 335 O ALA A 47 6.083 -6.648 -1.380 1.00 0.00 O ATOM 336 CB ALA A 47 6.361 -8.397 -3.814 1.00 0.00 C ATOM 0 H ALA A 47 8.338 -6.983 -3.730 1.00 0.00 H new ATOM 0 HA ALA A 47 5.693 -6.521 -4.608 1.00 0.00 H new ATOM 0 HB1 ALA A 47 5.360 -8.828 -3.796 1.00 0.00 H new ATOM 0 HB2 ALA A 47 6.865 -8.689 -4.735 1.00 0.00 H new ATOM 0 HB3 ALA A 47 6.929 -8.763 -2.959 1.00 0.00 H new ATOM 342 N ILE A 48 4.358 -5.852 -2.597 1.00 0.00 N ATOM 343 CA ILE A 48 3.541 -5.467 -1.452 1.00 0.00 C ATOM 344 C ILE A 48 2.181 -6.169 -1.452 1.00 0.00 C ATOM 345 O ILE A 48 1.447 -6.057 -0.474 1.00 0.00 O ATOM 346 CB ILE A 48 3.519 -3.935 -1.232 1.00 0.00 C ATOM 347 CG1 ILE A 48 3.060 -3.092 -2.432 1.00 0.00 C ATOM 348 CG2 ILE A 48 4.930 -3.482 -0.837 1.00 0.00 C ATOM 349 CD1 ILE A 48 1.555 -2.865 -2.467 1.00 0.00 C ATOM 0 H ILE A 48 3.936 -5.630 -3.499 1.00 0.00 H new ATOM 0 HA ILE A 48 4.022 -5.842 -0.549 1.00 0.00 H new ATOM 0 HB ILE A 48 2.775 -3.764 -0.453 1.00 0.00 H new ATOM 0 HG12 ILE A 48 3.566 -2.127 -2.404 1.00 0.00 H new ATOM 0 HG13 ILE A 48 3.368 -3.586 -3.354 1.00 0.00 H new ATOM 0 HG21 ILE A 48 4.935 -2.404 -0.677 1.00 0.00 H new ATOM 0 HG22 ILE A 48 5.230 -3.986 0.082 1.00 0.00 H new ATOM 0 HG23 ILE A 48 5.629 -3.734 -1.634 1.00 0.00 H new ATOM 0 HD11 ILE A 48 1.298 -2.263 -3.339 1.00 0.00 H new ATOM 0 HD12 ILE A 48 1.043 -3.826 -2.526 1.00 0.00 H new ATOM 0 HD13 ILE A 48 1.245 -2.344 -1.562 1.00 0.00 H new ATOM 361 N ASP A 49 1.874 -7.004 -2.453 1.00 0.00 N ATOM 362 CA ASP A 49 0.722 -7.903 -2.374 1.00 0.00 C ATOM 363 C ASP A 49 0.781 -8.784 -1.111 1.00 0.00 C ATOM 364 O ASP A 49 -0.245 -9.083 -0.508 1.00 0.00 O ATOM 365 CB ASP A 49 0.604 -8.753 -3.650 1.00 0.00 C ATOM 366 CG ASP A 49 1.188 -10.143 -3.470 1.00 0.00 C ATOM 367 OD1 ASP A 49 2.433 -10.238 -3.433 1.00 0.00 O ATOM 368 OD2 ASP A 49 0.375 -11.072 -3.265 1.00 0.00 O ATOM 0 H ASP A 49 2.405 -7.074 -3.321 1.00 0.00 H new ATOM 0 HA ASP A 49 -0.177 -7.291 -2.297 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -0.445 -8.836 -3.934 1.00 0.00 H new ATOM 0 HB3 ASP A 49 1.117 -8.249 -4.469 1.00 0.00 H new ATOM 373 N LYS A 50 1.990 -9.188 -0.708 1.00 0.00 N ATOM 374 CA LYS A 50 2.262 -10.001 0.476 1.00 0.00 C ATOM 375 C LYS A 50 2.665 -9.140 1.671 1.00 0.00 C ATOM 376 O LYS A 50 3.022 -9.679 2.723 1.00 0.00 O ATOM 377 CB LYS A 50 3.286 -11.113 0.172 1.00 0.00 C ATOM 378 CG LYS A 50 2.692 -12.530 0.296 1.00 0.00 C ATOM 379 CD LYS A 50 1.694 -12.846 -0.830 1.00 0.00 C ATOM 380 CE LYS A 50 0.234 -12.860 -0.338 1.00 0.00 C ATOM 381 NZ LYS A 50 -0.735 -12.537 -1.401 1.00 0.00 N ATOM 0 H LYS A 50 2.838 -8.946 -1.220 1.00 0.00 H new ATOM 0 HA LYS A 50 1.334 -10.500 0.757 1.00 0.00 H new ATOM 0 HB2 LYS A 50 3.675 -10.975 -0.837 1.00 0.00 H new ATOM 0 HB3 LYS A 50 4.130 -11.018 0.855 1.00 0.00 H new ATOM 0 HG2 LYS A 50 3.499 -13.262 0.279 1.00 0.00 H new ATOM 0 HG3 LYS A 50 2.192 -12.629 1.260 1.00 0.00 H new ATOM 0 HD2 LYS A 50 1.800 -12.106 -1.623 1.00 0.00 H new ATOM 0 HD3 LYS A 50 1.937 -13.816 -1.265 1.00 0.00 H new ATOM 0 HE2 LYS A 50 0.003 -13.844 0.070 1.00 0.00 H new ATOM 0 HE3 LYS A 50 0.124 -12.144 0.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -1.626 -12.214 -0.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -0.349 -11.784 -2.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -0.915 -13.385 -1.976 1.00 0.00 H new ATOM 395 N ALA A 51 2.637 -7.810 1.522 1.00 0.00 N ATOM 396 CA ALA A 51 2.916 -6.898 2.617 1.00 0.00 C ATOM 397 C ALA A 51 2.131 -7.332 3.844 1.00 0.00 C ATOM 398 O ALA A 51 2.737 -7.603 4.867 1.00 0.00 O ATOM 399 CB ALA A 51 2.551 -5.472 2.224 1.00 0.00 C ATOM 0 H ALA A 51 2.420 -7.346 0.640 1.00 0.00 H new ATOM 0 HA ALA A 51 3.981 -6.923 2.847 1.00 0.00 H new ATOM 0 HB1 ALA A 51 2.765 -4.799 3.055 1.00 0.00 H new ATOM 0 HB2 ALA A 51 3.136 -5.173 1.355 1.00 0.00 H new ATOM 0 HB3 ALA A 51 1.490 -5.422 1.981 1.00 0.00 H new ATOM 405 N GLY A 52 0.812 -7.493 3.717 1.00 0.00 N ATOM 406 CA GLY A 52 -0.060 -7.908 4.808 1.00 0.00 C ATOM 407 C GLY A 52 0.403 -9.150 5.575 1.00 0.00 C ATOM 408 O GLY A 52 0.027 -9.332 6.730 1.00 0.00 O ATOM 0 H GLY A 52 0.317 -7.335 2.839 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -0.155 -7.081 5.511 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -1.054 -8.099 4.405 1.00 0.00 H new ATOM 412 N ALA A 53 1.164 -10.040 4.929 1.00 0.00 N ATOM 413 CA ALA A 53 1.652 -11.259 5.559 1.00 0.00 C ATOM 414 C ALA A 53 2.925 -10.988 6.363 1.00 0.00 C ATOM 415 O ALA A 53 3.201 -11.687 7.333 1.00 0.00 O ATOM 416 CB ALA A 53 1.901 -12.323 4.488 1.00 0.00 C ATOM 0 H ALA A 53 1.455 -9.931 3.958 1.00 0.00 H new ATOM 0 HA ALA A 53 0.896 -11.624 6.254 1.00 0.00 H new ATOM 0 HB1 ALA A 53 2.266 -13.235 4.959 1.00 0.00 H new ATOM 0 HB2 ALA A 53 0.970 -12.534 3.962 1.00 0.00 H new ATOM 0 HB3 ALA A 53 2.644 -11.958 3.779 1.00 0.00 H new ATOM 422 N ASN A 54 3.716 -9.999 5.936 1.00 0.00 N ATOM 423 CA ASN A 54 5.002 -9.666 6.536 1.00 0.00 C ATOM 424 C ASN A 54 4.821 -8.588 7.600 1.00 0.00 C ATOM 425 O ASN A 54 5.308 -8.721 8.719 1.00 0.00 O ATOM 426 CB ASN A 54 5.967 -9.157 5.455 1.00 0.00 C ATOM 427 CG ASN A 54 6.431 -10.267 4.519 1.00 0.00 C ATOM 428 OD1 ASN A 54 7.498 -10.840 4.713 1.00 0.00 O ATOM 429 ND2 ASN A 54 5.652 -10.583 3.486 1.00 0.00 N ATOM 0 H ASN A 54 3.471 -9.399 5.148 1.00 0.00 H new ATOM 0 HA ASN A 54 5.415 -10.562 6.999 1.00 0.00 H new ATOM 0 HB2 ASN A 54 5.477 -8.376 4.873 1.00 0.00 H new ATOM 0 HB3 ASN A 54 6.835 -8.702 5.932 1.00 0.00 H new ATOM 0 HD21 ASN A 54 5.939 -11.315 2.836 1.00 0.00 H new ATOM 0 HD22 ASN A 54 4.769 -10.093 3.345 1.00 0.00 H new ATOM 436 N TYR A 55 4.157 -7.505 7.203 1.00 0.00 N ATOM 437 CA TYR A 55 3.946 -6.277 7.945 1.00 0.00 C ATOM 438 C TYR A 55 2.451 -6.155 8.257 1.00 0.00 C ATOM 439 O TYR A 55 1.623 -6.563 7.443 1.00 0.00 O ATOM 440 CB TYR A 55 4.402 -5.083 7.087 1.00 0.00 C ATOM 441 CG TYR A 55 5.687 -5.271 6.297 1.00 0.00 C ATOM 442 CD1 TYR A 55 6.863 -5.684 6.949 1.00 0.00 C ATOM 443 CD2 TYR A 55 5.713 -5.013 4.913 1.00 0.00 C ATOM 444 CE1 TYR A 55 8.051 -5.853 6.215 1.00 0.00 C ATOM 445 CE2 TYR A 55 6.911 -5.146 4.188 1.00 0.00 C ATOM 446 CZ TYR A 55 8.085 -5.555 4.843 1.00 0.00 C ATOM 447 OH TYR A 55 9.258 -5.678 4.162 1.00 0.00 O ATOM 0 H TYR A 55 3.721 -7.466 6.282 1.00 0.00 H new ATOM 0 HA TYR A 55 4.518 -6.286 8.873 1.00 0.00 H new ATOM 0 HB2 TYR A 55 3.603 -4.840 6.387 1.00 0.00 H new ATOM 0 HB3 TYR A 55 4.526 -4.220 7.741 1.00 0.00 H new ATOM 0 HD1 TYR A 55 6.854 -5.871 8.013 1.00 0.00 H new ATOM 0 HD2 TYR A 55 4.809 -4.711 4.406 1.00 0.00 H new ATOM 0 HE1 TYR A 55 8.941 -6.214 6.709 1.00 0.00 H new ATOM 0 HE2 TYR A 55 6.929 -4.934 3.129 1.00 0.00 H new ATOM 0 HH TYR A 55 9.118 -5.437 3.223 1.00 0.00 H new ATOM 457 N SER A 56 2.091 -5.585 9.406 1.00 0.00 N ATOM 458 CA SER A 56 0.698 -5.430 9.811 1.00 0.00 C ATOM 459 C SER A 56 0.107 -4.134 9.251 1.00 0.00 C ATOM 460 O SER A 56 0.837 -3.245 8.809 1.00 0.00 O ATOM 461 CB SER A 56 0.592 -5.505 11.338 1.00 0.00 C ATOM 462 OG SER A 56 0.761 -6.846 11.755 1.00 0.00 O ATOM 0 H SER A 56 2.760 -5.217 10.083 1.00 0.00 H new ATOM 0 HA SER A 56 0.108 -6.247 9.394 1.00 0.00 H new ATOM 0 HB2 SER A 56 1.350 -4.871 11.798 1.00 0.00 H new ATOM 0 HB3 SER A 56 -0.378 -5.130 11.665 1.00 0.00 H new ATOM 0 HG SER A 56 0.695 -6.896 12.732 1.00 0.00 H new ATOM 468 N GLU A 57 -1.231 -4.031 9.268 1.00 0.00 N ATOM 469 CA GLU A 57 -1.944 -2.885 8.717 1.00 0.00 C ATOM 470 C GLU A 57 -1.354 -1.582 9.274 1.00 0.00 C ATOM 471 O GLU A 57 -1.022 -0.698 8.497 1.00 0.00 O ATOM 472 CB GLU A 57 -3.477 -3.038 8.854 1.00 0.00 C ATOM 473 CG GLU A 57 -4.047 -2.854 10.264 1.00 0.00 C ATOM 474 CD GLU A 57 -4.526 -1.425 10.488 1.00 0.00 C ATOM 475 OE1 GLU A 57 -5.501 -1.054 9.801 1.00 0.00 O ATOM 476 OE2 GLU A 57 -3.905 -0.739 11.324 1.00 0.00 O ATOM 0 H GLU A 57 -1.842 -4.744 9.666 1.00 0.00 H new ATOM 0 HA GLU A 57 -1.791 -2.838 7.639 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -3.955 -2.315 8.193 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -3.757 -4.029 8.497 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -4.876 -3.545 10.416 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -3.284 -3.104 11.002 1.00 0.00 H new ATOM 483 N GLU A 58 -1.110 -1.514 10.584 1.00 0.00 N ATOM 484 CA GLU A 58 -0.433 -0.413 11.261 1.00 0.00 C ATOM 485 C GLU A 58 0.858 0.018 10.540 1.00 0.00 C ATOM 486 O GLU A 58 1.034 1.187 10.199 1.00 0.00 O ATOM 487 CB GLU A 58 -0.201 -0.811 12.732 1.00 0.00 C ATOM 488 CG GLU A 58 0.601 -2.111 12.910 1.00 0.00 C ATOM 489 CD GLU A 58 0.477 -2.694 14.309 1.00 0.00 C ATOM 490 OE1 GLU A 58 0.848 -1.976 15.262 1.00 0.00 O ATOM 491 OE2 GLU A 58 0.020 -3.855 14.391 1.00 0.00 O ATOM 0 H GLU A 58 -1.391 -2.256 11.226 1.00 0.00 H new ATOM 0 HA GLU A 58 -1.067 0.473 11.234 1.00 0.00 H new ATOM 0 HB2 GLU A 58 0.323 -0.001 13.238 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -1.167 -0.922 13.224 1.00 0.00 H new ATOM 0 HG2 GLU A 58 0.257 -2.847 12.183 1.00 0.00 H new ATOM 0 HG3 GLU A 58 1.652 -1.917 12.694 1.00 0.00 H new ATOM 498 N GLU A 59 1.760 -0.927 10.276 1.00 0.00 N ATOM 499 CA GLU A 59 3.048 -0.662 9.650 1.00 0.00 C ATOM 500 C GLU A 59 2.845 -0.119 8.236 1.00 0.00 C ATOM 501 O GLU A 59 3.444 0.878 7.833 1.00 0.00 O ATOM 502 CB GLU A 59 3.857 -1.963 9.613 1.00 0.00 C ATOM 503 CG GLU A 59 4.105 -2.527 11.014 1.00 0.00 C ATOM 504 CD GLU A 59 4.946 -3.785 10.938 1.00 0.00 C ATOM 505 OE1 GLU A 59 4.313 -4.845 10.751 1.00 0.00 O ATOM 506 OE2 GLU A 59 6.185 -3.663 11.029 1.00 0.00 O ATOM 0 H GLU A 59 1.611 -1.912 10.496 1.00 0.00 H new ATOM 0 HA GLU A 59 3.591 0.087 10.226 1.00 0.00 H new ATOM 0 HB2 GLU A 59 3.326 -2.703 9.014 1.00 0.00 H new ATOM 0 HB3 GLU A 59 4.813 -1.781 9.121 1.00 0.00 H new ATOM 0 HG2 GLU A 59 4.610 -1.782 11.628 1.00 0.00 H new ATOM 0 HG3 GLU A 59 3.153 -2.747 11.498 1.00 0.00 H new ATOM 513 N ILE A 60 1.997 -0.801 7.467 1.00 0.00 N ATOM 514 CA ILE A 60 1.753 -0.459 6.072 1.00 0.00 C ATOM 515 C ILE A 60 1.137 0.944 6.032 1.00 0.00 C ATOM 516 O ILE A 60 1.582 1.796 5.269 1.00 0.00 O ATOM 517 CB ILE A 60 0.872 -1.532 5.402 1.00 0.00 C ATOM 518 CG1 ILE A 60 1.518 -2.923 5.537 1.00 0.00 C ATOM 519 CG2 ILE A 60 0.642 -1.249 3.909 1.00 0.00 C ATOM 520 CD1 ILE A 60 0.580 -4.059 5.137 1.00 0.00 C ATOM 0 H ILE A 60 1.462 -1.605 7.796 1.00 0.00 H new ATOM 0 HA ILE A 60 2.681 -0.441 5.500 1.00 0.00 H new ATOM 0 HB ILE A 60 -0.089 -1.505 5.915 1.00 0.00 H new ATOM 0 HG12 ILE A 60 2.413 -2.963 4.917 1.00 0.00 H new ATOM 0 HG13 ILE A 60 1.838 -3.070 6.568 1.00 0.00 H new ATOM 0 HG21 ILE A 60 0.016 -2.033 3.482 1.00 0.00 H new ATOM 0 HG22 ILE A 60 0.146 -0.285 3.794 1.00 0.00 H new ATOM 0 HG23 ILE A 60 1.601 -1.228 3.391 1.00 0.00 H new ATOM 0 HD11 ILE A 60 1.094 -5.013 5.254 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -0.304 -4.042 5.774 1.00 0.00 H new ATOM 0 HD13 ILE A 60 0.280 -3.934 4.097 1.00 0.00 H new ATOM 532 N LEU A 61 0.140 1.189 6.884 1.00 0.00 N ATOM 533 CA LEU A 61 -0.517 2.472 7.089 1.00 0.00 C ATOM 534 C LEU A 61 0.526 3.555 7.306 1.00 0.00 C ATOM 535 O LEU A 61 0.556 4.547 6.572 1.00 0.00 O ATOM 536 CB LEU A 61 -1.467 2.368 8.291 1.00 0.00 C ATOM 537 CG LEU A 61 -2.332 3.607 8.549 1.00 0.00 C ATOM 538 CD1 LEU A 61 -3.288 3.857 7.386 1.00 0.00 C ATOM 539 CD2 LEU A 61 -3.162 3.397 9.819 1.00 0.00 C ATOM 0 H LEU A 61 -0.248 0.457 7.479 1.00 0.00 H new ATOM 0 HA LEU A 61 -1.100 2.737 6.207 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -2.124 1.511 8.141 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -0.876 2.165 9.184 1.00 0.00 H new ATOM 0 HG LEU A 61 -1.669 4.465 8.660 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -3.890 4.741 7.594 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -2.716 4.014 6.472 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -3.942 2.994 7.261 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -3.777 4.278 10.002 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -3.805 2.526 9.694 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -2.496 3.237 10.667 1.00 0.00 H new ATOM 551 N ASP A 62 1.399 3.339 8.295 1.00 0.00 N ATOM 552 CA ASP A 62 2.469 4.284 8.566 1.00 0.00 C ATOM 553 C ASP A 62 3.268 4.503 7.287 1.00 0.00 C ATOM 554 O ASP A 62 3.476 5.639 6.884 1.00 0.00 O ATOM 555 CB ASP A 62 3.353 3.837 9.744 1.00 0.00 C ATOM 556 CG ASP A 62 3.316 4.855 10.880 1.00 0.00 C ATOM 557 OD1 ASP A 62 3.984 5.904 10.737 1.00 0.00 O ATOM 558 OD2 ASP A 62 2.601 4.587 11.868 1.00 0.00 O ATOM 0 H ASP A 62 1.381 2.526 8.911 1.00 0.00 H new ATOM 0 HA ASP A 62 2.037 5.235 8.877 1.00 0.00 H new ATOM 0 HB2 ASP A 62 3.013 2.868 10.110 1.00 0.00 H new ATOM 0 HB3 ASP A 62 4.380 3.707 9.402 1.00 0.00 H new ATOM 563 N ILE A 63 3.657 3.439 6.588 1.00 0.00 N ATOM 564 CA ILE A 63 4.462 3.566 5.373 1.00 0.00 C ATOM 565 C ILE A 63 3.722 4.351 4.285 1.00 0.00 C ATOM 566 O ILE A 63 4.329 5.127 3.559 1.00 0.00 O ATOM 567 CB ILE A 63 4.934 2.176 4.908 1.00 0.00 C ATOM 568 CG1 ILE A 63 6.165 1.767 5.733 1.00 0.00 C ATOM 569 CG2 ILE A 63 5.264 2.148 3.411 1.00 0.00 C ATOM 570 CD1 ILE A 63 6.383 0.251 5.744 1.00 0.00 C ATOM 0 H ILE A 63 3.428 2.478 6.842 1.00 0.00 H new ATOM 0 HA ILE A 63 5.354 4.152 5.596 1.00 0.00 H new ATOM 0 HB ILE A 63 4.121 1.467 5.066 1.00 0.00 H new ATOM 0 HG12 ILE A 63 7.050 2.256 5.326 1.00 0.00 H new ATOM 0 HG13 ILE A 63 6.047 2.122 6.757 1.00 0.00 H new ATOM 0 HG21 ILE A 63 5.592 1.147 3.129 1.00 0.00 H new ATOM 0 HG22 ILE A 63 4.376 2.413 2.838 1.00 0.00 H new ATOM 0 HG23 ILE A 63 6.059 2.863 3.200 1.00 0.00 H new ATOM 0 HD11 ILE A 63 7.264 0.014 6.340 1.00 0.00 H new ATOM 0 HD12 ILE A 63 5.511 -0.239 6.176 1.00 0.00 H new ATOM 0 HD13 ILE A 63 6.529 -0.103 4.724 1.00 0.00 H new ATOM 582 N ILE A 64 2.412 4.186 4.149 1.00 0.00 N ATOM 583 CA ILE A 64 1.639 4.928 3.160 1.00 0.00 C ATOM 584 C ILE A 64 1.651 6.422 3.505 1.00 0.00 C ATOM 585 O ILE A 64 1.856 7.282 2.643 1.00 0.00 O ATOM 586 CB ILE A 64 0.228 4.329 3.102 1.00 0.00 C ATOM 587 CG1 ILE A 64 0.312 2.898 2.551 1.00 0.00 C ATOM 588 CG2 ILE A 64 -0.695 5.160 2.210 1.00 0.00 C ATOM 589 CD1 ILE A 64 -0.816 2.044 3.123 1.00 0.00 C ATOM 0 H ILE A 64 1.860 3.541 4.715 1.00 0.00 H new ATOM 0 HA ILE A 64 2.078 4.842 2.166 1.00 0.00 H new ATOM 0 HB ILE A 64 -0.186 4.327 4.110 1.00 0.00 H new ATOM 0 HG12 ILE A 64 0.248 2.916 1.463 1.00 0.00 H new ATOM 0 HG13 ILE A 64 1.276 2.458 2.807 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -1.687 4.708 2.191 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -0.766 6.174 2.604 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -0.291 5.192 1.198 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -0.744 1.032 2.724 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -0.733 2.012 4.209 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -1.777 2.477 2.845 1.00 0.00 H new ATOM 601 N LEU A 65 1.440 6.728 4.784 1.00 0.00 N ATOM 602 CA LEU A 65 1.420 8.094 5.280 1.00 0.00 C ATOM 603 C LEU A 65 2.818 8.737 5.226 1.00 0.00 C ATOM 604 O LEU A 65 2.949 9.903 4.864 1.00 0.00 O ATOM 605 CB LEU A 65 0.857 8.081 6.707 1.00 0.00 C ATOM 606 CG LEU A 65 -0.620 7.639 6.781 1.00 0.00 C ATOM 607 CD1 LEU A 65 -0.934 7.192 8.212 1.00 0.00 C ATOM 608 CD2 LEU A 65 -1.553 8.794 6.415 1.00 0.00 C ATOM 0 H LEU A 65 1.277 6.027 5.507 1.00 0.00 H new ATOM 0 HA LEU A 65 0.781 8.705 4.642 1.00 0.00 H new ATOM 0 HB2 LEU A 65 1.460 7.412 7.321 1.00 0.00 H new ATOM 0 HB3 LEU A 65 0.952 9.079 7.136 1.00 0.00 H new ATOM 0 HG LEU A 65 -0.774 6.822 6.076 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -1.976 6.878 8.275 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -0.286 6.358 8.483 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -0.764 8.022 8.898 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -2.588 8.458 6.474 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -1.399 9.620 7.109 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -1.338 9.128 5.400 1.00 0.00 H new ATOM 620 N ASN A 66 3.859 7.986 5.589 1.00 0.00 N ATOM 621 CA ASN A 66 5.225 8.468 5.813 1.00 0.00 C ATOM 622 C ASN A 66 6.063 8.389 4.544 1.00 0.00 C ATOM 623 O ASN A 66 6.924 9.234 4.315 1.00 0.00 O ATOM 624 CB ASN A 66 5.938 7.610 6.871 1.00 0.00 C ATOM 625 CG ASN A 66 5.531 7.920 8.307 1.00 0.00 C ATOM 626 OD1 ASN A 66 6.301 8.503 9.065 1.00 0.00 O ATOM 627 ND2 ASN A 66 4.342 7.484 8.694 1.00 0.00 N ATOM 0 H ASN A 66 3.770 6.981 5.742 1.00 0.00 H new ATOM 0 HA ASN A 66 5.134 9.503 6.142 1.00 0.00 H new ATOM 0 HB2 ASN A 66 5.735 6.559 6.667 1.00 0.00 H new ATOM 0 HB3 ASN A 66 7.014 7.752 6.772 1.00 0.00 H new ATOM 0 HD21 ASN A 66 4.034 7.628 9.656 1.00 0.00 H new ATOM 0 HD22 ASN A 66 3.734 7.004 8.030 1.00 0.00 H new ATOM 634 N GLY A 67 5.851 7.334 3.760 1.00 0.00 N ATOM 635 CA GLY A 67 6.704 6.920 2.664 1.00 0.00 C ATOM 636 C GLY A 67 7.577 5.739 3.093 1.00 0.00 C ATOM 637 O GLY A 67 7.363 5.123 4.136 1.00 0.00 O ATOM 0 H GLY A 67 5.044 6.723 3.882 1.00 0.00 H new ATOM 0 HA2 GLY A 67 6.095 6.638 1.805 1.00 0.00 H new ATOM 0 HA3 GLY A 67 7.334 7.752 2.349 1.00 0.00 H new ATOM 641 N GLN A 68 8.579 5.446 2.270 1.00 0.00 N ATOM 642 CA GLN A 68 9.647 4.469 2.463 1.00 0.00 C ATOM 643 C GLN A 68 10.825 5.095 1.680 1.00 0.00 C ATOM 644 O GLN A 68 10.585 5.999 0.887 1.00 0.00 O ATOM 645 CB GLN A 68 9.197 3.076 1.938 1.00 0.00 C ATOM 646 CG GLN A 68 10.339 2.097 1.725 1.00 0.00 C ATOM 647 CD GLN A 68 11.171 1.740 2.943 1.00 0.00 C ATOM 648 OE1 GLN A 68 12.268 2.251 3.136 1.00 0.00 O ATOM 649 NE2 GLN A 68 10.693 0.811 3.752 1.00 0.00 N ATOM 0 H GLN A 68 8.673 5.926 1.375 1.00 0.00 H new ATOM 0 HA GLN A 68 9.923 4.280 3.500 1.00 0.00 H new ATOM 0 HB2 GLN A 68 8.489 2.644 2.645 1.00 0.00 H new ATOM 0 HB3 GLN A 68 8.665 3.209 0.996 1.00 0.00 H new ATOM 0 HG2 GLN A 68 9.925 1.176 1.315 1.00 0.00 H new ATOM 0 HG3 GLN A 68 11.005 2.512 0.968 1.00 0.00 H new ATOM 0 HE21 GLN A 68 9.777 0.400 3.572 1.00 0.00 H new ATOM 0 HE22 GLN A 68 11.240 0.505 4.557 1.00 0.00 H new ATOM 658 N GLY A 69 12.077 4.678 1.887 1.00 0.00 N ATOM 659 CA GLY A 69 13.278 5.240 1.264 1.00 0.00 C ATOM 660 C GLY A 69 13.066 5.803 -0.149 1.00 0.00 C ATOM 661 O GLY A 69 13.160 7.010 -0.354 1.00 0.00 O ATOM 0 H GLY A 69 12.290 3.907 2.520 1.00 0.00 H new ATOM 0 HA2 GLY A 69 13.664 6.035 1.903 1.00 0.00 H new ATOM 0 HA3 GLY A 69 14.044 4.466 1.220 1.00 0.00 H new ATOM 665 N GLY A 70 12.763 4.935 -1.120 1.00 0.00 N ATOM 666 CA GLY A 70 12.511 5.324 -2.506 1.00 0.00 C ATOM 667 C GLY A 70 11.022 5.513 -2.821 1.00 0.00 C ATOM 668 O GLY A 70 10.594 5.247 -3.943 1.00 0.00 O ATOM 0 H GLY A 70 12.686 3.931 -0.960 1.00 0.00 H new ATOM 0 HA2 GLY A 70 13.041 6.253 -2.718 1.00 0.00 H new ATOM 0 HA3 GLY A 70 12.922 4.564 -3.170 1.00 0.00 H new ATOM 672 N MET A 71 10.227 5.963 -1.845 1.00 0.00 N ATOM 673 CA MET A 71 8.777 6.106 -1.961 1.00 0.00 C ATOM 674 C MET A 71 8.281 7.402 -1.297 1.00 0.00 C ATOM 675 O MET A 71 8.571 7.618 -0.123 1.00 0.00 O ATOM 676 CB MET A 71 8.168 4.909 -1.245 1.00 0.00 C ATOM 677 CG MET A 71 6.644 4.904 -1.174 1.00 0.00 C ATOM 678 SD MET A 71 6.014 3.414 -0.371 1.00 0.00 S ATOM 679 CE MET A 71 4.447 4.067 0.259 1.00 0.00 C ATOM 0 H MET A 71 10.585 6.244 -0.932 1.00 0.00 H new ATOM 0 HA MET A 71 8.489 6.151 -3.011 1.00 0.00 H new ATOM 0 HB2 MET A 71 8.496 3.999 -1.748 1.00 0.00 H new ATOM 0 HB3 MET A 71 8.564 4.872 -0.230 1.00 0.00 H new ATOM 0 HG2 MET A 71 6.303 5.783 -0.627 1.00 0.00 H new ATOM 0 HG3 MET A 71 6.233 4.975 -2.181 1.00 0.00 H new ATOM 0 HE1 MET A 71 3.979 3.327 0.908 1.00 0.00 H new ATOM 0 HE2 MET A 71 4.634 4.980 0.825 1.00 0.00 H new ATOM 0 HE3 MET A 71 3.783 4.288 -0.576 1.00 0.00 H new ATOM 689 N PRO A 72 7.486 8.238 -1.989 1.00 0.00 N ATOM 690 CA PRO A 72 6.950 9.462 -1.411 1.00 0.00 C ATOM 691 C PRO A 72 5.981 9.158 -0.262 1.00 0.00 C ATOM 692 O PRO A 72 5.376 8.089 -0.209 1.00 0.00 O ATOM 693 CB PRO A 72 6.264 10.204 -2.563 1.00 0.00 C ATOM 694 CG PRO A 72 5.908 9.096 -3.553 1.00 0.00 C ATOM 695 CD PRO A 72 7.013 8.062 -3.352 1.00 0.00 C ATOM 0 HA PRO A 72 7.736 10.075 -0.970 1.00 0.00 H new ATOM 0 HB2 PRO A 72 5.376 10.736 -2.223 1.00 0.00 H new ATOM 0 HB3 PRO A 72 6.926 10.944 -3.012 1.00 0.00 H new ATOM 0 HG2 PRO A 72 4.924 8.676 -3.346 1.00 0.00 H new ATOM 0 HG3 PRO A 72 5.888 9.466 -4.578 1.00 0.00 H new ATOM 0 HD2 PRO A 72 6.634 7.052 -3.506 1.00 0.00 H new ATOM 0 HD3 PRO A 72 7.822 8.211 -4.068 1.00 0.00 H new ATOM 703 N GLY A 73 5.822 10.119 0.651 1.00 0.00 N ATOM 704 CA GLY A 73 4.964 10.027 1.811 1.00 0.00 C ATOM 705 C GLY A 73 3.696 10.825 1.568 1.00 0.00 C ATOM 706 O GLY A 73 3.720 11.884 0.942 1.00 0.00 O ATOM 0 H GLY A 73 6.311 11.012 0.591 1.00 0.00 H new ATOM 0 HA2 GLY A 73 4.717 8.985 2.012 1.00 0.00 H new ATOM 0 HA3 GLY A 73 5.483 10.407 2.691 1.00 0.00 H new ATOM 710 N GLY A 74 2.581 10.298 2.058 1.00 0.00 N ATOM 711 CA GLY A 74 1.284 10.953 2.006 1.00 0.00 C ATOM 712 C GLY A 74 0.639 10.805 0.630 1.00 0.00 C ATOM 713 O GLY A 74 -0.226 11.596 0.257 1.00 0.00 O ATOM 0 H GLY A 74 2.555 9.385 2.511 1.00 0.00 H new ATOM 0 HA2 GLY A 74 0.628 10.525 2.765 1.00 0.00 H new ATOM 0 HA3 GLY A 74 1.399 12.011 2.244 1.00 0.00 H new ATOM 717 N ILE A 75 1.024 9.753 -0.101 1.00 0.00 N ATOM 718 CA ILE A 75 0.395 9.333 -1.347 1.00 0.00 C ATOM 719 C ILE A 75 -1.112 9.200 -1.123 1.00 0.00 C ATOM 720 O ILE A 75 -1.930 9.622 -1.947 1.00 0.00 O ATOM 721 CB ILE A 75 1.000 7.979 -1.768 1.00 0.00 C ATOM 722 CG1 ILE A 75 2.494 8.131 -2.100 1.00 0.00 C ATOM 723 CG2 ILE A 75 0.242 7.373 -2.956 1.00 0.00 C ATOM 724 CD1 ILE A 75 3.149 6.768 -2.338 1.00 0.00 C ATOM 0 H ILE A 75 1.805 9.156 0.171 1.00 0.00 H new ATOM 0 HA ILE A 75 0.570 10.066 -2.135 1.00 0.00 H new ATOM 0 HB ILE A 75 0.900 7.295 -0.925 1.00 0.00 H new ATOM 0 HG12 ILE A 75 2.611 8.753 -2.987 1.00 0.00 H new ATOM 0 HG13 ILE A 75 3.001 8.643 -1.282 1.00 0.00 H new ATOM 0 HG21 ILE A 75 0.694 6.419 -3.228 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -0.801 7.215 -2.680 1.00 0.00 H new ATOM 0 HG23 ILE A 75 0.293 8.054 -3.806 1.00 0.00 H new ATOM 0 HD11 ILE A 75 4.205 6.907 -2.571 1.00 0.00 H new ATOM 0 HD12 ILE A 75 3.053 6.156 -1.441 1.00 0.00 H new ATOM 0 HD13 ILE A 75 2.657 6.268 -3.172 1.00 0.00 H new ATOM 736 N ALA A 76 -1.452 8.579 0.004 1.00 0.00 N ATOM 737 CA ALA A 76 -2.784 8.288 0.480 1.00 0.00 C ATOM 738 C ALA A 76 -2.780 8.683 1.956 1.00 0.00 C ATOM 739 O ALA A 76 -1.764 8.499 2.625 1.00 0.00 O ATOM 740 CB ALA A 76 -3.031 6.790 0.272 1.00 0.00 C ATOM 0 H ALA A 76 -0.740 8.244 0.653 1.00 0.00 H new ATOM 0 HA ALA A 76 -3.577 8.825 -0.040 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -4.031 6.534 0.622 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -2.945 6.551 -0.788 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -2.293 6.218 0.834 1.00 0.00 H new ATOM 746 N LYS A 77 -3.864 9.291 2.450 1.00 0.00 N ATOM 747 CA LYS A 77 -4.000 9.713 3.831 1.00 0.00 C ATOM 748 C LYS A 77 -5.463 9.592 4.251 1.00 0.00 C ATOM 749 O LYS A 77 -6.339 9.653 3.396 1.00 0.00 O ATOM 750 CB LYS A 77 -3.429 11.123 4.024 1.00 0.00 C ATOM 751 CG LYS A 77 -3.609 12.065 2.825 1.00 0.00 C ATOM 752 CD LYS A 77 -2.923 13.402 3.140 1.00 0.00 C ATOM 753 CE LYS A 77 -2.838 14.321 1.915 1.00 0.00 C ATOM 754 NZ LYS A 77 -4.151 14.882 1.537 1.00 0.00 N ATOM 0 H LYS A 77 -4.684 9.504 1.881 1.00 0.00 H new ATOM 0 HA LYS A 77 -3.417 9.063 4.484 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -3.902 11.574 4.896 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -2.365 11.041 4.246 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -3.177 11.621 1.928 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -4.669 12.222 2.624 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -3.471 13.910 3.934 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -1.918 13.211 3.518 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -2.145 15.136 2.123 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -2.429 13.762 1.073 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -4.040 15.495 0.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -4.807 14.108 1.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -4.532 15.439 2.329 1.00 0.00 H new ATOM 768 N GLY A 78 -5.719 9.407 5.549 1.00 0.00 N ATOM 769 CA GLY A 78 -7.065 9.190 6.061 1.00 0.00 C ATOM 770 C GLY A 78 -7.671 7.940 5.429 1.00 0.00 C ATOM 771 O GLY A 78 -6.987 6.922 5.315 1.00 0.00 O ATOM 0 H GLY A 78 -4.997 9.404 6.269 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -7.037 9.082 7.145 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -7.689 10.056 5.843 1.00 0.00 H new ATOM 775 N ALA A 79 -8.927 8.043 4.975 1.00 0.00 N ATOM 776 CA ALA A 79 -9.678 6.949 4.374 1.00 0.00 C ATOM 777 C ALA A 79 -8.837 6.170 3.368 1.00 0.00 C ATOM 778 O ALA A 79 -8.821 4.947 3.432 1.00 0.00 O ATOM 779 CB ALA A 79 -10.958 7.480 3.723 1.00 0.00 C ATOM 0 H ALA A 79 -9.456 8.914 5.020 1.00 0.00 H new ATOM 0 HA ALA A 79 -9.951 6.255 5.169 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -11.510 6.652 3.278 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -11.577 7.964 4.479 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -10.700 8.202 2.949 1.00 0.00 H new ATOM 785 N GLU A 80 -8.123 6.845 2.464 1.00 0.00 N ATOM 786 CA GLU A 80 -7.219 6.199 1.532 1.00 0.00 C ATOM 787 C GLU A 80 -6.244 5.290 2.278 1.00 0.00 C ATOM 788 O GLU A 80 -6.213 4.089 2.033 1.00 0.00 O ATOM 789 CB GLU A 80 -6.460 7.252 0.711 1.00 0.00 C ATOM 790 CG GLU A 80 -7.221 7.904 -0.453 1.00 0.00 C ATOM 791 CD GLU A 80 -8.342 8.860 -0.061 1.00 0.00 C ATOM 792 OE1 GLU A 80 -8.530 9.089 1.153 1.00 0.00 O ATOM 793 OE2 GLU A 80 -8.988 9.356 -1.007 1.00 0.00 O ATOM 0 H GLU A 80 -8.162 7.859 2.364 1.00 0.00 H new ATOM 0 HA GLU A 80 -7.803 5.584 0.848 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -6.135 8.041 1.389 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -5.560 6.786 0.310 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -6.506 8.447 -1.071 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -7.643 7.114 -1.074 1.00 0.00 H new ATOM 800 N ALA A 81 -5.424 5.849 3.168 1.00 0.00 N ATOM 801 CA ALA A 81 -4.375 5.098 3.824 1.00 0.00 C ATOM 802 C ALA A 81 -4.961 3.954 4.651 1.00 0.00 C ATOM 803 O ALA A 81 -4.466 2.833 4.581 1.00 0.00 O ATOM 804 CB ALA A 81 -3.551 6.075 4.654 1.00 0.00 C ATOM 0 H ALA A 81 -5.474 6.829 3.447 1.00 0.00 H new ATOM 0 HA ALA A 81 -3.720 4.623 3.094 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -2.751 5.536 5.161 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -3.120 6.834 4.001 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -4.192 6.554 5.394 1.00 0.00 H new ATOM 810 N GLU A 82 -6.029 4.234 5.403 1.00 0.00 N ATOM 811 CA GLU A 82 -6.767 3.245 6.178 1.00 0.00 C ATOM 812 C GLU A 82 -7.214 2.091 5.281 1.00 0.00 C ATOM 813 O GLU A 82 -6.869 0.930 5.506 1.00 0.00 O ATOM 814 CB GLU A 82 -7.975 3.937 6.823 1.00 0.00 C ATOM 815 CG GLU A 82 -7.563 4.753 8.052 1.00 0.00 C ATOM 816 CD GLU A 82 -8.763 5.483 8.638 1.00 0.00 C ATOM 817 OE1 GLU A 82 -9.708 4.777 9.051 1.00 0.00 O ATOM 818 OE2 GLU A 82 -8.726 6.733 8.631 1.00 0.00 O ATOM 0 H GLU A 82 -6.409 5.177 5.489 1.00 0.00 H new ATOM 0 HA GLU A 82 -6.128 2.827 6.956 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -8.453 4.591 6.094 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -8.713 3.189 7.112 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -7.129 4.094 8.804 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -6.792 5.473 7.776 1.00 0.00 H new ATOM 825 N ALA A 83 -7.993 2.432 4.255 1.00 0.00 N ATOM 826 CA ALA A 83 -8.552 1.499 3.297 1.00 0.00 C ATOM 827 C ALA A 83 -7.436 0.642 2.705 1.00 0.00 C ATOM 828 O ALA A 83 -7.512 -0.585 2.771 1.00 0.00 O ATOM 829 CB ALA A 83 -9.333 2.278 2.233 1.00 0.00 C ATOM 0 H ALA A 83 -8.257 3.399 4.068 1.00 0.00 H new ATOM 0 HA ALA A 83 -9.252 0.818 3.782 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -9.756 1.581 1.509 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -10.137 2.839 2.710 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -8.662 2.969 1.722 1.00 0.00 H new ATOM 835 N VAL A 84 -6.390 1.281 2.167 1.00 0.00 N ATOM 836 CA VAL A 84 -5.212 0.586 1.669 1.00 0.00 C ATOM 837 C VAL A 84 -4.695 -0.388 2.723 1.00 0.00 C ATOM 838 O VAL A 84 -4.611 -1.574 2.444 1.00 0.00 O ATOM 839 CB VAL A 84 -4.089 1.561 1.277 1.00 0.00 C ATOM 840 CG1 VAL A 84 -2.797 0.795 0.981 1.00 0.00 C ATOM 841 CG2 VAL A 84 -4.389 2.353 0.006 1.00 0.00 C ATOM 0 H VAL A 84 -6.343 2.295 2.068 1.00 0.00 H new ATOM 0 HA VAL A 84 -5.511 0.042 0.773 1.00 0.00 H new ATOM 0 HB VAL A 84 -3.998 2.239 2.126 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -2.012 1.499 0.705 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -2.492 0.240 1.868 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -2.966 0.100 0.159 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -3.555 3.021 -0.212 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -4.530 1.664 -0.827 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -5.296 2.940 0.149 1.00 0.00 H new ATOM 851 N ALA A 85 -4.285 0.109 3.891 1.00 0.00 N ATOM 852 CA ALA A 85 -3.632 -0.688 4.921 1.00 0.00 C ATOM 853 C ALA A 85 -4.461 -1.925 5.247 1.00 0.00 C ATOM 854 O ALA A 85 -3.948 -3.042 5.198 1.00 0.00 O ATOM 855 CB ALA A 85 -3.422 0.175 6.161 1.00 0.00 C ATOM 0 H ALA A 85 -4.400 1.089 4.148 1.00 0.00 H new ATOM 0 HA ALA A 85 -2.663 -1.030 4.558 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -2.934 -0.415 6.936 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -2.796 1.030 5.907 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -4.386 0.527 6.527 1.00 0.00 H new ATOM 861 N ALA A 86 -5.750 -1.736 5.538 1.00 0.00 N ATOM 862 CA ALA A 86 -6.663 -2.832 5.827 1.00 0.00 C ATOM 863 C ALA A 86 -6.717 -3.819 4.655 1.00 0.00 C ATOM 864 O ALA A 86 -6.519 -5.022 4.819 1.00 0.00 O ATOM 865 CB ALA A 86 -8.049 -2.260 6.136 1.00 0.00 C ATOM 0 H ALA A 86 -6.186 -0.815 5.579 1.00 0.00 H new ATOM 0 HA ALA A 86 -6.305 -3.384 6.696 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -8.739 -3.075 6.354 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -7.985 -1.598 7.000 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -8.411 -1.698 5.275 1.00 0.00 H new ATOM 871 N TRP A 87 -6.981 -3.304 3.453 1.00 0.00 N ATOM 872 CA TRP A 87 -7.091 -4.113 2.249 1.00 0.00 C ATOM 873 C TRP A 87 -5.782 -4.835 1.933 1.00 0.00 C ATOM 874 O TRP A 87 -5.798 -5.919 1.371 1.00 0.00 O ATOM 875 CB TRP A 87 -7.505 -3.203 1.099 1.00 0.00 C ATOM 876 CG TRP A 87 -7.528 -3.794 -0.276 1.00 0.00 C ATOM 877 CD1 TRP A 87 -8.552 -4.385 -0.937 1.00 0.00 C ATOM 878 CD2 TRP A 87 -6.451 -3.716 -1.239 1.00 0.00 C ATOM 879 NE1 TRP A 87 -8.105 -4.840 -2.166 1.00 0.00 N ATOM 880 CE2 TRP A 87 -6.791 -4.473 -2.389 1.00 0.00 C ATOM 881 CE3 TRP A 87 -5.201 -3.085 -1.263 1.00 0.00 C ATOM 882 CZ2 TRP A 87 -5.855 -4.656 -3.421 1.00 0.00 C ATOM 883 CZ3 TRP A 87 -4.498 -2.993 -2.478 1.00 0.00 C ATOM 884 CH2 TRP A 87 -4.998 -3.588 -3.639 1.00 0.00 C ATOM 0 H TRP A 87 -7.125 -2.307 3.292 1.00 0.00 H new ATOM 0 HA TRP A 87 -7.843 -4.888 2.401 1.00 0.00 H new ATOM 0 HB2 TRP A 87 -8.501 -2.818 1.316 1.00 0.00 H new ATOM 0 HB3 TRP A 87 -6.829 -2.348 1.086 1.00 0.00 H new ATOM 0 HD1 TRP A 87 -9.560 -4.486 -0.564 1.00 0.00 H new ATOM 0 HE1 TRP A 87 -8.672 -5.377 -2.822 1.00 0.00 H new ATOM 0 HE3 TRP A 87 -4.781 -2.673 -0.357 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 -5.807 -5.564 -4.003 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 -3.561 -2.456 -2.514 1.00 0.00 H new ATOM 0 HH2 TRP A 87 -4.737 -3.243 -4.629 1.00 0.00 H new ATOM 895 N LEU A 88 -4.635 -4.250 2.260 1.00 0.00 N ATOM 896 CA LEU A 88 -3.359 -4.910 2.047 1.00 0.00 C ATOM 897 C LEU A 88 -3.142 -5.982 3.100 1.00 0.00 C ATOM 898 O LEU A 88 -2.749 -7.104 2.792 1.00 0.00 O ATOM 899 CB LEU A 88 -2.194 -3.914 1.988 1.00 0.00 C ATOM 900 CG LEU A 88 -1.506 -4.108 0.638 1.00 0.00 C ATOM 901 CD1 LEU A 88 -2.315 -3.602 -0.531 1.00 0.00 C ATOM 902 CD2 LEU A 88 -0.190 -3.385 0.501 1.00 0.00 C ATOM 0 H LEU A 88 -4.566 -3.320 2.673 1.00 0.00 H new ATOM 0 HA LEU A 88 -3.388 -5.394 1.071 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -2.556 -2.891 2.093 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -1.495 -4.090 2.806 1.00 0.00 H new ATOM 0 HG LEU A 88 -1.375 -5.190 0.617 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -1.764 -3.773 -1.456 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -3.266 -4.132 -0.572 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -2.500 -2.535 -0.411 1.00 0.00 H new ATOM 0 HD21 LEU A 88 0.229 -3.577 -0.487 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -0.349 -2.314 0.626 1.00 0.00 H new ATOM 0 HD23 LEU A 88 0.502 -3.741 1.264 1.00 0.00 H new ATOM 914 N ALA A 89 -3.452 -5.646 4.345 1.00 0.00 N ATOM 915 CA ALA A 89 -3.456 -6.596 5.434 1.00 0.00 C ATOM 916 C ALA A 89 -4.317 -7.800 5.090 1.00 0.00 C ATOM 917 O ALA A 89 -3.934 -8.905 5.424 1.00 0.00 O ATOM 918 CB ALA A 89 -3.861 -5.930 6.739 1.00 0.00 C ATOM 0 H ALA A 89 -3.709 -4.699 4.623 1.00 0.00 H new ATOM 0 HA ALA A 89 -2.442 -6.966 5.582 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -3.855 -6.668 7.541 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -3.156 -5.133 6.975 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -4.862 -5.511 6.638 1.00 0.00 H new ATOM 924 N GLU A 90 -5.449 -7.640 4.406 1.00 0.00 N ATOM 925 CA GLU A 90 -6.279 -8.793 4.070 1.00 0.00 C ATOM 926 C GLU A 90 -5.757 -9.594 2.850 1.00 0.00 C ATOM 927 O GLU A 90 -6.203 -10.712 2.608 1.00 0.00 O ATOM 928 CB GLU A 90 -7.749 -8.348 4.053 1.00 0.00 C ATOM 929 CG GLU A 90 -8.242 -7.799 2.712 1.00 0.00 C ATOM 930 CD GLU A 90 -8.799 -8.856 1.764 1.00 0.00 C ATOM 931 OE1 GLU A 90 -9.656 -9.638 2.219 1.00 0.00 O ATOM 932 OE2 GLU A 90 -8.386 -8.831 0.582 1.00 0.00 O ATOM 0 H GLU A 90 -5.806 -6.742 4.080 1.00 0.00 H new ATOM 0 HA GLU A 90 -6.209 -9.559 4.843 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -8.373 -9.197 4.333 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -7.890 -7.583 4.816 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -9.015 -7.054 2.901 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -7.417 -7.285 2.219 1.00 0.00 H new ATOM 939 N LYS A 91 -4.745 -9.093 2.127 1.00 0.00 N ATOM 940 CA LYS A 91 -4.236 -9.601 0.839 1.00 0.00 C ATOM 941 C LYS A 91 -3.431 -10.902 0.896 1.00 0.00 C ATOM 942 O LYS A 91 -2.756 -11.288 -0.066 1.00 0.00 O ATOM 943 CB LYS A 91 -3.421 -8.471 0.180 1.00 0.00 C ATOM 944 CG LYS A 91 -3.506 -8.438 -1.354 1.00 0.00 C ATOM 945 CD LYS A 91 -4.957 -8.444 -1.865 1.00 0.00 C ATOM 946 CE LYS A 91 -5.841 -7.569 -0.963 1.00 0.00 C ATOM 947 NZ LYS A 91 -7.266 -7.601 -1.327 1.00 0.00 N ATOM 0 H LYS A 91 -4.227 -8.273 2.442 1.00 0.00 H new ATOM 0 HA LYS A 91 -5.107 -9.881 0.246 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -3.767 -7.514 0.571 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -2.376 -8.576 0.472 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -2.998 -7.547 -1.724 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -2.977 -9.299 -1.762 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -4.991 -8.073 -2.890 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -5.340 -9.464 -1.882 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -5.731 -7.899 0.070 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -5.486 -6.540 -1.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -7.567 -6.654 -1.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -7.411 -8.279 -2.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -7.828 -7.893 -0.502 1.00 0.00 H new ATOM 961 N LYS A 92 -3.376 -11.479 2.082 1.00 0.00 N ATOM 962 CA LYS A 92 -2.122 -11.831 2.700 1.00 0.00 C ATOM 963 C LYS A 92 -1.915 -13.344 2.706 1.00 0.00 C ATOM 964 O LYS A 92 -2.891 -14.060 3.022 1.00 0.00 O ATOM 965 CB LYS A 92 -2.148 -11.162 4.072 1.00 0.00 C ATOM 966 CG LYS A 92 -3.039 -11.877 5.106 1.00 0.00 C ATOM 967 CD LYS A 92 -2.867 -11.270 6.510 1.00 0.00 C ATOM 968 CE LYS A 92 -4.222 -11.072 7.216 1.00 0.00 C ATOM 969 NZ LYS A 92 -4.699 -12.315 7.846 1.00 0.00 N ATOM 970 OXT LYS A 92 -0.782 -13.759 2.381 1.00 0.00 O ATOM 0 H LYS A 92 -4.198 -11.714 2.638 1.00 0.00 H new ATOM 0 HA LYS A 92 -1.251 -11.474 2.151 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -1.130 -11.112 4.459 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -2.496 -10.136 3.957 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -4.083 -11.804 4.802 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -2.789 -12.937 5.133 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -2.234 -11.921 7.113 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -2.354 -10.311 6.432 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -4.127 -10.294 7.974 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -4.961 -10.724 6.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -5.613 -12.140 8.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -4.815 -13.050 7.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -4.007 -12.633 8.554 1.00 0.00 H new