USER MOD reduce.3.24.130724 H: found=0, std=0, add=904, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 902 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 107 SER OG : rot 180:sc= -0.29 USER MOD Set 1.2: A 111 LYS NZ :NH3+ 162:sc= -0.268 (180deg=-0.0898) USER MOD Set 2.1: A 13 THR OG1 : rot -170:sc= 0.543 USER MOD Set 2.2: A 16 THR OG1 : rot 79:sc= 0.475 USER MOD Single : A 1 MET CE :methyl -162:sc= -0.121 (180deg=-0.61) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 SER OG : rot 51:sc= 0.0466 USER MOD Single : A 7 GLN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : A 11 CYS SG : rot 170:sc= -1.21 USER MOD Single : A 12 HIS : no HE2:sc= 0.558 K(o=0.56,f=-5.4!) USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : A 20 GLN : amide:sc= -3.36! C(o=-3.4!,f=-7.4!) USER MOD Single : A 22 GLN : amide:sc= 0 K(o=0,f=-0.93) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 27 SER OG : rot -4:sc= 0.356 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 40:sc= 0.773 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 174:sc=-0.00502 (180deg=-0.0818) USER MOD Single : A 59 ASN : amide:sc= 0.182 K(o=0.18,f=-5.2!) USER MOD Single : A 64 LYS NZ :NH3+ 153:sc= 1.22 (180deg=0.605) USER MOD Single : A 67 THR OG1 : rot 79:sc= 0.0298 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 SER OG : rot 180:sc= 0.00796 USER MOD Single : A 75 SER OG : rot 77:sc= 1.3 USER MOD Single : A 80 GLN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 82 MET CE :methyl -175:sc= -1.69 (180deg=-1.9) USER MOD Single : A 84 THR OG1 : rot 78:sc= -0.21 USER MOD Single : A 86 MET CE :methyl 139:sc= -0.132 (180deg=-0.68) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ 176:sc= 1.24 (180deg=1.19) USER MOD Single : A 96 LYS NZ :NH3+ -168:sc=-0.00689 (180deg=-0.142) USER MOD Single : A 101 LYS NZ :NH3+ -152:sc= 1.23 (180deg=0.718) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 GLN : amide:sc= 1.14 K(o=1.1,f=-0.049) USER MOD Single : A 108 THR OG1 : rot 73:sc= 0.307 USER MOD Single : A 112 HIS : no HD1:sc= -2.62! C(o=-2.6!,f=-4.4!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -9.193 7.480 -19.712 1.00 0.00 N ATOM 2 CA MET A 1 -7.991 6.687 -19.671 1.00 0.00 C ATOM 3 C MET A 1 -6.772 7.577 -19.803 1.00 0.00 C ATOM 4 O MET A 1 -6.478 8.095 -20.882 1.00 0.00 O ATOM 5 CB MET A 1 -8.011 5.625 -20.775 1.00 0.00 C ATOM 6 CG MET A 1 -6.796 4.709 -20.786 1.00 0.00 C ATOM 7 SD MET A 1 -6.834 3.495 -22.126 1.00 0.00 S ATOM 8 CE MET A 1 -8.337 2.592 -21.737 1.00 0.00 C ATOM 0 H1 MET A 1 -10.022 6.859 -19.621 1.00 0.00 H new ATOM 0 H2 MET A 1 -9.185 8.164 -18.928 1.00 0.00 H new ATOM 0 H3 MET A 1 -9.241 7.991 -20.617 1.00 0.00 H new ATOM 0 HA MET A 1 -7.942 6.176 -18.710 1.00 0.00 H new ATOM 0 HB2 MET A 1 -8.909 5.017 -20.662 1.00 0.00 H new ATOM 0 HB3 MET A 1 -8.084 6.124 -21.741 1.00 0.00 H new ATOM 0 HG2 MET A 1 -5.894 5.314 -20.877 1.00 0.00 H new ATOM 0 HG3 MET A 1 -6.734 4.186 -19.832 1.00 0.00 H new ATOM 0 HE1 MET A 1 -8.332 1.636 -22.260 1.00 0.00 H new ATOM 0 HE2 MET A 1 -8.389 2.418 -20.662 1.00 0.00 H new ATOM 0 HE3 MET A 1 -9.203 3.174 -22.053 1.00 0.00 H new ATOM 18 N ALA A 2 -6.101 7.777 -18.709 1.00 0.00 N ATOM 19 CA ALA A 2 -4.917 8.591 -18.664 1.00 0.00 C ATOM 20 C ALA A 2 -3.958 7.982 -17.673 1.00 0.00 C ATOM 21 O ALA A 2 -4.253 6.921 -17.110 1.00 0.00 O ATOM 22 CB ALA A 2 -5.272 10.017 -18.259 1.00 0.00 C ATOM 0 H ALA A 2 -6.362 7.375 -17.808 1.00 0.00 H new ATOM 0 HA ALA A 2 -4.453 8.629 -19.649 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -4.366 10.623 -18.229 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -5.967 10.439 -18.985 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -5.737 10.010 -17.273 1.00 0.00 H new ATOM 28 N SER A 3 -2.834 8.617 -17.466 1.00 0.00 N ATOM 29 CA SER A 3 -1.850 8.158 -16.522 1.00 0.00 C ATOM 30 C SER A 3 -2.343 8.297 -15.063 1.00 0.00 C ATOM 31 O SER A 3 -2.109 9.319 -14.384 1.00 0.00 O ATOM 32 CB SER A 3 -0.527 8.869 -16.781 1.00 0.00 C ATOM 33 OG SER A 3 -0.750 10.265 -16.944 1.00 0.00 O ATOM 0 H SER A 3 -2.574 9.475 -17.953 1.00 0.00 H new ATOM 0 HA SER A 3 -1.686 7.090 -16.665 1.00 0.00 H new ATOM 0 HB2 SER A 3 0.157 8.696 -15.950 1.00 0.00 H new ATOM 0 HB3 SER A 3 -0.054 8.461 -17.674 1.00 0.00 H new ATOM 0 HG SER A 3 -1.290 10.599 -16.198 1.00 0.00 H new ATOM 39 N GLU A 4 -3.085 7.284 -14.636 1.00 0.00 N ATOM 40 CA GLU A 4 -3.715 7.207 -13.346 1.00 0.00 C ATOM 41 C GLU A 4 -4.322 5.799 -13.224 1.00 0.00 C ATOM 42 O GLU A 4 -4.473 5.122 -14.251 1.00 0.00 O ATOM 43 CB GLU A 4 -4.819 8.289 -13.280 1.00 0.00 C ATOM 44 CG GLU A 4 -5.568 8.392 -11.958 1.00 0.00 C ATOM 45 CD GLU A 4 -4.651 8.614 -10.791 1.00 0.00 C ATOM 46 OE1 GLU A 4 -4.253 9.775 -10.530 1.00 0.00 O ATOM 47 OE2 GLU A 4 -4.315 7.629 -10.109 1.00 0.00 O ATOM 0 H GLU A 4 -3.266 6.462 -15.213 1.00 0.00 H new ATOM 0 HA GLU A 4 -3.011 7.378 -12.531 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -4.366 9.257 -13.496 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -5.542 8.092 -14.071 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -6.284 9.212 -12.013 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -6.141 7.479 -11.797 1.00 0.00 H new ATOM 54 N GLU A 5 -4.619 5.373 -11.977 1.00 0.00 N ATOM 55 CA GLU A 5 -5.263 4.065 -11.605 1.00 0.00 C ATOM 56 C GLU A 5 -4.551 2.801 -12.127 1.00 0.00 C ATOM 57 O GLU A 5 -3.741 2.841 -13.070 1.00 0.00 O ATOM 58 CB GLU A 5 -6.772 4.004 -11.953 1.00 0.00 C ATOM 59 CG GLU A 5 -7.116 4.020 -13.433 1.00 0.00 C ATOM 60 CD GLU A 5 -8.594 3.970 -13.687 1.00 0.00 C ATOM 61 OE1 GLU A 5 -9.173 2.854 -13.720 1.00 0.00 O ATOM 62 OE2 GLU A 5 -9.206 5.047 -13.876 1.00 0.00 O ATOM 0 H GLU A 5 -4.414 5.945 -11.158 1.00 0.00 H new ATOM 0 HA GLU A 5 -5.151 4.051 -10.521 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -7.190 3.098 -11.513 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -7.269 4.849 -11.476 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -6.704 4.921 -13.887 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -6.639 3.170 -13.921 1.00 0.00 H new ATOM 69 N GLY A 6 -4.842 1.672 -11.482 1.00 0.00 N ATOM 70 CA GLY A 6 -4.326 0.404 -11.936 1.00 0.00 C ATOM 71 C GLY A 6 -2.869 0.249 -11.675 1.00 0.00 C ATOM 72 O GLY A 6 -2.218 -0.625 -12.260 1.00 0.00 O ATOM 0 H GLY A 6 -5.429 1.620 -10.650 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -4.867 -0.402 -11.441 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -4.512 0.303 -13.005 1.00 0.00 H new ATOM 76 N GLN A 7 -2.338 1.078 -10.823 1.00 0.00 N ATOM 77 CA GLN A 7 -0.940 1.055 -10.592 1.00 0.00 C ATOM 78 C GLN A 7 -0.557 1.091 -9.165 1.00 0.00 C ATOM 79 O GLN A 7 -1.244 1.667 -8.306 1.00 0.00 O ATOM 80 CB GLN A 7 -0.233 2.160 -11.343 1.00 0.00 C ATOM 81 CG GLN A 7 -0.785 3.556 -11.074 1.00 0.00 C ATOM 82 CD GLN A 7 -0.050 4.626 -11.838 1.00 0.00 C ATOM 83 OE1 GLN A 7 0.467 4.387 -12.926 1.00 0.00 O ATOM 84 NE2 GLN A 7 0.004 5.807 -11.291 1.00 0.00 N ATOM 0 H GLN A 7 -2.857 1.771 -10.284 1.00 0.00 H new ATOM 0 HA GLN A 7 -0.615 0.088 -10.975 1.00 0.00 H new ATOM 0 HB2 GLN A 7 0.824 2.143 -11.079 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -0.298 1.956 -12.412 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -1.841 3.583 -11.343 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -0.722 3.768 -10.007 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -0.437 5.970 -10.386 1.00 0.00 H new ATOM 0 HE22 GLN A 7 0.487 6.568 -11.768 1.00 0.00 H new ATOM 93 N VAL A 8 0.524 0.455 -8.931 1.00 0.00 N ATOM 94 CA VAL A 8 1.184 0.451 -7.697 1.00 0.00 C ATOM 95 C VAL A 8 2.546 1.112 -7.910 1.00 0.00 C ATOM 96 O VAL A 8 3.352 0.669 -8.735 1.00 0.00 O ATOM 97 CB VAL A 8 1.308 -1.004 -7.156 1.00 0.00 C ATOM 98 CG1 VAL A 8 2.129 -1.930 -8.066 1.00 0.00 C ATOM 99 CG2 VAL A 8 1.778 -1.042 -5.718 1.00 0.00 C ATOM 0 H VAL A 8 0.995 -0.108 -9.640 1.00 0.00 H new ATOM 0 HA VAL A 8 0.627 1.009 -6.944 1.00 0.00 H new ATOM 0 HB VAL A 8 0.296 -1.409 -7.170 1.00 0.00 H new ATOM 0 HG11 VAL A 8 2.173 -2.926 -7.626 1.00 0.00 H new ATOM 0 HG12 VAL A 8 1.658 -1.987 -9.047 1.00 0.00 H new ATOM 0 HG13 VAL A 8 3.139 -1.535 -8.171 1.00 0.00 H new ATOM 0 HG21 VAL A 8 1.849 -2.078 -5.386 1.00 0.00 H new ATOM 0 HG22 VAL A 8 2.757 -0.569 -5.643 1.00 0.00 H new ATOM 0 HG23 VAL A 8 1.067 -0.507 -5.089 1.00 0.00 H new ATOM 109 N ILE A 9 2.783 2.189 -7.234 1.00 0.00 N ATOM 110 CA ILE A 9 4.001 2.906 -7.450 1.00 0.00 C ATOM 111 C ILE A 9 5.086 2.432 -6.515 1.00 0.00 C ATOM 112 O ILE A 9 5.003 2.588 -5.291 1.00 0.00 O ATOM 113 CB ILE A 9 3.787 4.432 -7.376 1.00 0.00 C ATOM 114 CG1 ILE A 9 2.733 4.824 -8.426 1.00 0.00 C ATOM 115 CG2 ILE A 9 5.104 5.181 -7.618 1.00 0.00 C ATOM 116 CD1 ILE A 9 2.435 6.291 -8.498 1.00 0.00 C ATOM 0 H ILE A 9 2.158 2.590 -6.534 1.00 0.00 H new ATOM 0 HA ILE A 9 4.337 2.691 -8.464 1.00 0.00 H new ATOM 0 HB ILE A 9 3.437 4.708 -6.381 1.00 0.00 H new ATOM 0 HG12 ILE A 9 3.073 4.488 -9.405 1.00 0.00 H new ATOM 0 HG13 ILE A 9 1.808 4.290 -8.209 1.00 0.00 H new ATOM 0 HG21 ILE A 9 4.928 6.255 -7.561 1.00 0.00 H new ATOM 0 HG22 ILE A 9 5.832 4.892 -6.860 1.00 0.00 H new ATOM 0 HG23 ILE A 9 5.490 4.929 -8.606 1.00 0.00 H new ATOM 0 HD11 ILE A 9 1.682 6.472 -9.265 1.00 0.00 H new ATOM 0 HD12 ILE A 9 2.061 6.634 -7.533 1.00 0.00 H new ATOM 0 HD13 ILE A 9 3.346 6.835 -8.748 1.00 0.00 H new ATOM 128 N ALA A 10 6.085 1.838 -7.096 1.00 0.00 N ATOM 129 CA ALA A 10 7.194 1.295 -6.370 1.00 0.00 C ATOM 130 C ALA A 10 8.190 2.379 -6.069 1.00 0.00 C ATOM 131 O ALA A 10 8.828 2.917 -6.976 1.00 0.00 O ATOM 132 CB ALA A 10 7.843 0.183 -7.171 1.00 0.00 C ATOM 0 H ALA A 10 6.153 1.715 -8.106 1.00 0.00 H new ATOM 0 HA ALA A 10 6.836 0.880 -5.427 1.00 0.00 H new ATOM 0 HB1 ALA A 10 8.685 -0.224 -6.612 1.00 0.00 H new ATOM 0 HB2 ALA A 10 7.114 -0.606 -7.355 1.00 0.00 H new ATOM 0 HB3 ALA A 10 8.197 0.579 -8.123 1.00 0.00 H new ATOM 138 N CYS A 11 8.311 2.720 -4.820 1.00 0.00 N ATOM 139 CA CYS A 11 9.221 3.720 -4.428 1.00 0.00 C ATOM 140 C CYS A 11 10.570 3.088 -4.209 1.00 0.00 C ATOM 141 O CYS A 11 10.693 2.101 -3.474 1.00 0.00 O ATOM 142 CB CYS A 11 8.745 4.368 -3.152 1.00 0.00 C ATOM 143 SG CYS A 11 7.031 4.943 -3.220 1.00 0.00 S ATOM 0 H CYS A 11 7.777 2.306 -4.056 1.00 0.00 H new ATOM 0 HA CYS A 11 9.293 4.482 -5.204 1.00 0.00 H new ATOM 0 HB2 CYS A 11 8.847 3.655 -2.334 1.00 0.00 H new ATOM 0 HB3 CYS A 11 9.393 5.213 -2.921 1.00 0.00 H new ATOM 0 HG CYS A 11 6.641 5.287 -2.029 1.00 0.00 H new ATOM 149 N HIS A 12 11.551 3.609 -4.875 1.00 0.00 N ATOM 150 CA HIS A 12 12.913 3.168 -4.705 1.00 0.00 C ATOM 151 C HIS A 12 13.657 4.213 -3.915 1.00 0.00 C ATOM 152 O HIS A 12 14.809 4.029 -3.541 1.00 0.00 O ATOM 153 CB HIS A 12 13.612 2.958 -6.061 1.00 0.00 C ATOM 154 CG HIS A 12 13.002 1.901 -6.932 1.00 0.00 C ATOM 155 ND1 HIS A 12 13.355 0.583 -6.853 1.00 0.00 N ATOM 156 CD2 HIS A 12 12.075 1.979 -7.914 1.00 0.00 C ATOM 157 CE1 HIS A 12 12.687 -0.113 -7.742 1.00 0.00 C ATOM 158 NE2 HIS A 12 11.897 0.709 -8.405 1.00 0.00 N ATOM 0 H HIS A 12 11.437 4.358 -5.558 1.00 0.00 H new ATOM 0 HA HIS A 12 12.910 2.213 -4.180 1.00 0.00 H new ATOM 0 HB2 HIS A 12 13.608 3.903 -6.605 1.00 0.00 H new ATOM 0 HB3 HIS A 12 14.655 2.700 -5.879 1.00 0.00 H new ATOM 0 HD1 HIS A 12 14.037 0.198 -6.200 1.00 0.00 H new ATOM 0 HD2 HIS A 12 11.570 2.873 -8.249 1.00 0.00 H new ATOM 0 HE1 HIS A 12 12.770 -1.178 -7.903 1.00 0.00 H new ATOM 167 N THR A 13 12.976 5.304 -3.633 1.00 0.00 N ATOM 168 CA THR A 13 13.561 6.428 -2.960 1.00 0.00 C ATOM 169 C THR A 13 12.546 7.016 -2.017 1.00 0.00 C ATOM 170 O THR A 13 11.338 6.722 -2.129 1.00 0.00 O ATOM 171 CB THR A 13 13.973 7.533 -3.969 1.00 0.00 C ATOM 172 OG1 THR A 13 12.836 7.901 -4.776 1.00 0.00 O ATOM 173 CG2 THR A 13 15.119 7.086 -4.864 1.00 0.00 C ATOM 0 H THR A 13 11.992 5.429 -3.870 1.00 0.00 H new ATOM 0 HA THR A 13 14.446 6.082 -2.426 1.00 0.00 H new ATOM 0 HB THR A 13 14.318 8.395 -3.397 1.00 0.00 H new ATOM 0 HG1 THR A 13 13.130 8.478 -5.512 1.00 0.00 H new ATOM 0 HG21 THR A 13 15.376 7.889 -5.555 1.00 0.00 H new ATOM 0 HG22 THR A 13 15.987 6.844 -4.250 1.00 0.00 H new ATOM 0 HG23 THR A 13 14.817 6.204 -5.429 1.00 0.00 H new ATOM 181 N VAL A 14 13.008 7.836 -1.103 1.00 0.00 N ATOM 182 CA VAL A 14 12.125 8.529 -0.204 1.00 0.00 C ATOM 183 C VAL A 14 11.435 9.639 -0.979 1.00 0.00 C ATOM 184 O VAL A 14 10.339 10.041 -0.653 1.00 0.00 O ATOM 185 CB VAL A 14 12.882 9.141 1.002 1.00 0.00 C ATOM 186 CG1 VAL A 14 11.923 9.835 1.961 1.00 0.00 C ATOM 187 CG2 VAL A 14 13.684 8.088 1.736 1.00 0.00 C ATOM 0 H VAL A 14 13.998 8.038 -0.964 1.00 0.00 H new ATOM 0 HA VAL A 14 11.404 7.814 0.193 1.00 0.00 H new ATOM 0 HB VAL A 14 13.572 9.886 0.607 1.00 0.00 H new ATOM 0 HG11 VAL A 14 12.484 10.254 2.796 1.00 0.00 H new ATOM 0 HG12 VAL A 14 11.400 10.635 1.437 1.00 0.00 H new ATOM 0 HG13 VAL A 14 11.198 9.113 2.337 1.00 0.00 H new ATOM 0 HG21 VAL A 14 14.204 8.547 2.577 1.00 0.00 H new ATOM 0 HG22 VAL A 14 13.014 7.311 2.104 1.00 0.00 H new ATOM 0 HG23 VAL A 14 14.413 7.646 1.056 1.00 0.00 H new ATOM 197 N GLU A 15 12.096 10.097 -2.035 1.00 0.00 N ATOM 198 CA GLU A 15 11.585 11.145 -2.886 1.00 0.00 C ATOM 199 C GLU A 15 10.239 10.753 -3.472 1.00 0.00 C ATOM 200 O GLU A 15 9.280 11.489 -3.347 1.00 0.00 O ATOM 201 CB GLU A 15 12.576 11.423 -4.005 1.00 0.00 C ATOM 202 CG GLU A 15 12.192 12.575 -4.901 1.00 0.00 C ATOM 203 CD GLU A 15 13.189 12.802 -5.991 1.00 0.00 C ATOM 204 OE1 GLU A 15 14.199 13.495 -5.757 1.00 0.00 O ATOM 205 OE2 GLU A 15 12.987 12.298 -7.108 1.00 0.00 O ATOM 0 H GLU A 15 13.009 9.743 -2.321 1.00 0.00 H new ATOM 0 HA GLU A 15 11.450 12.046 -2.288 1.00 0.00 H new ATOM 0 HB2 GLU A 15 13.553 11.628 -3.567 1.00 0.00 H new ATOM 0 HB3 GLU A 15 12.682 10.524 -4.613 1.00 0.00 H new ATOM 0 HG2 GLU A 15 11.214 12.380 -5.341 1.00 0.00 H new ATOM 0 HG3 GLU A 15 12.098 13.482 -4.303 1.00 0.00 H new ATOM 212 N THR A 16 10.176 9.572 -4.077 1.00 0.00 N ATOM 213 CA THR A 16 8.935 9.061 -4.656 1.00 0.00 C ATOM 214 C THR A 16 7.865 8.894 -3.560 1.00 0.00 C ATOM 215 O THR A 16 6.700 9.269 -3.738 1.00 0.00 O ATOM 216 CB THR A 16 9.193 7.704 -5.339 1.00 0.00 C ATOM 217 OG1 THR A 16 10.247 7.858 -6.294 1.00 0.00 O ATOM 218 CG2 THR A 16 7.946 7.202 -6.056 1.00 0.00 C ATOM 0 H THR A 16 10.974 8.946 -4.180 1.00 0.00 H new ATOM 0 HA THR A 16 8.576 9.775 -5.397 1.00 0.00 H new ATOM 0 HB THR A 16 9.468 6.978 -4.573 1.00 0.00 H new ATOM 0 HG1 THR A 16 11.110 7.862 -5.831 1.00 0.00 H new ATOM 0 HG21 THR A 16 8.159 6.243 -6.528 1.00 0.00 H new ATOM 0 HG22 THR A 16 7.137 7.080 -5.336 1.00 0.00 H new ATOM 0 HG23 THR A 16 7.649 7.923 -6.817 1.00 0.00 H new ATOM 226 N TRP A 17 8.297 8.356 -2.434 1.00 0.00 N ATOM 227 CA TRP A 17 7.448 8.144 -1.270 1.00 0.00 C ATOM 228 C TRP A 17 6.848 9.473 -0.765 1.00 0.00 C ATOM 229 O TRP A 17 5.622 9.626 -0.663 1.00 0.00 O ATOM 230 CB TRP A 17 8.297 7.457 -0.182 1.00 0.00 C ATOM 231 CG TRP A 17 7.650 7.310 1.158 1.00 0.00 C ATOM 232 CD1 TRP A 17 8.091 7.845 2.328 1.00 0.00 C ATOM 233 CD2 TRP A 17 6.445 6.609 1.469 1.00 0.00 C ATOM 234 NE1 TRP A 17 7.256 7.502 3.350 1.00 0.00 N ATOM 235 CE2 TRP A 17 6.232 6.746 2.854 1.00 0.00 C ATOM 236 CE3 TRP A 17 5.530 5.875 0.720 1.00 0.00 C ATOM 237 CZ2 TRP A 17 5.144 6.177 3.502 1.00 0.00 C ATOM 238 CZ3 TRP A 17 4.451 5.316 1.364 1.00 0.00 C ATOM 239 CH2 TRP A 17 4.268 5.468 2.743 1.00 0.00 C ATOM 0 H TRP A 17 9.260 8.049 -2.298 1.00 0.00 H new ATOM 0 HA TRP A 17 6.604 7.508 -1.535 1.00 0.00 H new ATOM 0 HB2 TRP A 17 8.577 6.466 -0.539 1.00 0.00 H new ATOM 0 HB3 TRP A 17 9.220 8.023 -0.058 1.00 0.00 H new ATOM 0 HD1 TRP A 17 8.976 8.455 2.433 1.00 0.00 H new ATOM 0 HE1 TRP A 17 7.377 7.767 4.328 1.00 0.00 H new ATOM 0 HE3 TRP A 17 5.664 5.747 -0.344 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 5.000 6.293 4.566 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 3.730 4.748 0.794 1.00 0.00 H new ATOM 0 HH2 TRP A 17 3.411 5.011 3.215 1.00 0.00 H new ATOM 250 N ASN A 18 7.716 10.420 -0.499 1.00 0.00 N ATOM 251 CA ASN A 18 7.351 11.733 0.018 1.00 0.00 C ATOM 252 C ASN A 18 6.472 12.480 -0.978 1.00 0.00 C ATOM 253 O ASN A 18 5.465 13.098 -0.602 1.00 0.00 O ATOM 254 CB ASN A 18 8.626 12.535 0.280 1.00 0.00 C ATOM 255 CG ASN A 18 8.375 13.896 0.885 1.00 0.00 C ATOM 256 OD1 ASN A 18 7.424 14.093 1.635 1.00 0.00 O ATOM 257 ND2 ASN A 18 9.215 14.837 0.563 1.00 0.00 N ATOM 0 H ASN A 18 8.720 10.304 -0.636 1.00 0.00 H new ATOM 0 HA ASN A 18 6.790 11.607 0.944 1.00 0.00 H new ATOM 0 HB2 ASN A 18 9.273 11.965 0.947 1.00 0.00 H new ATOM 0 HB3 ASN A 18 9.166 12.659 -0.659 1.00 0.00 H new ATOM 0 HD21 ASN A 18 9.095 15.778 0.938 1.00 0.00 H new ATOM 0 HD22 ASN A 18 9.993 14.633 -0.064 1.00 0.00 H new ATOM 264 N GLU A 19 6.852 12.381 -2.250 1.00 0.00 N ATOM 265 CA GLU A 19 6.169 13.030 -3.366 1.00 0.00 C ATOM 266 C GLU A 19 4.693 12.644 -3.385 1.00 0.00 C ATOM 267 O GLU A 19 3.807 13.504 -3.483 1.00 0.00 O ATOM 268 CB GLU A 19 6.823 12.570 -4.682 1.00 0.00 C ATOM 269 CG GLU A 19 6.293 13.225 -5.938 1.00 0.00 C ATOM 270 CD GLU A 19 6.896 12.637 -7.192 1.00 0.00 C ATOM 271 OE1 GLU A 19 8.086 12.900 -7.491 1.00 0.00 O ATOM 272 OE2 GLU A 19 6.184 11.913 -7.919 1.00 0.00 O ATOM 0 H GLU A 19 7.663 11.834 -2.540 1.00 0.00 H new ATOM 0 HA GLU A 19 6.250 14.111 -3.254 1.00 0.00 H new ATOM 0 HB2 GLU A 19 7.895 12.759 -4.620 1.00 0.00 H new ATOM 0 HB3 GLU A 19 6.694 11.492 -4.774 1.00 0.00 H new ATOM 0 HG2 GLU A 19 5.209 13.114 -5.973 1.00 0.00 H new ATOM 0 HG3 GLU A 19 6.503 14.294 -5.904 1.00 0.00 H new ATOM 279 N GLN A 20 4.431 11.372 -3.259 1.00 0.00 N ATOM 280 CA GLN A 20 3.121 10.882 -3.328 1.00 0.00 C ATOM 281 C GLN A 20 2.294 11.173 -2.097 1.00 0.00 C ATOM 282 O GLN A 20 1.107 11.442 -2.205 1.00 0.00 O ATOM 283 CB GLN A 20 3.147 9.439 -3.656 1.00 0.00 C ATOM 284 CG GLN A 20 3.665 9.132 -5.064 1.00 0.00 C ATOM 285 CD GLN A 20 2.850 9.794 -6.187 1.00 0.00 C ATOM 286 OE1 GLN A 20 2.264 10.866 -6.031 1.00 0.00 O ATOM 287 NE2 GLN A 20 2.834 9.180 -7.327 1.00 0.00 N ATOM 0 H GLN A 20 5.141 10.656 -3.105 1.00 0.00 H new ATOM 0 HA GLN A 20 2.615 11.421 -4.129 1.00 0.00 H new ATOM 0 HB2 GLN A 20 3.773 8.922 -2.929 1.00 0.00 H new ATOM 0 HB3 GLN A 20 2.140 9.035 -3.554 1.00 0.00 H new ATOM 0 HG2 GLN A 20 4.702 9.461 -5.139 1.00 0.00 H new ATOM 0 HG3 GLN A 20 3.662 8.052 -5.214 1.00 0.00 H new ATOM 0 HE21 GLN A 20 3.326 8.293 -7.435 1.00 0.00 H new ATOM 0 HE22 GLN A 20 2.330 9.583 -8.116 1.00 0.00 H new ATOM 296 N LEU A 21 2.905 11.134 -0.936 1.00 0.00 N ATOM 297 CA LEU A 21 2.226 11.426 0.277 1.00 0.00 C ATOM 298 C LEU A 21 1.735 12.854 0.322 1.00 0.00 C ATOM 299 O LEU A 21 0.582 13.109 0.694 1.00 0.00 O ATOM 300 CB LEU A 21 3.120 11.164 1.432 1.00 0.00 C ATOM 301 CG LEU A 21 3.524 9.728 1.719 1.00 0.00 C ATOM 302 CD1 LEU A 21 4.415 9.692 2.944 1.00 0.00 C ATOM 303 CD2 LEU A 21 2.299 8.843 1.925 1.00 0.00 C ATOM 0 H LEU A 21 3.890 10.897 -0.820 1.00 0.00 H new ATOM 0 HA LEU A 21 1.353 10.775 0.330 1.00 0.00 H new ATOM 0 HB2 LEU A 21 4.032 11.743 1.285 1.00 0.00 H new ATOM 0 HB3 LEU A 21 2.634 11.557 2.325 1.00 0.00 H new ATOM 0 HG LEU A 21 4.071 9.340 0.860 1.00 0.00 H new ATOM 0 HD11 LEU A 21 4.706 8.662 3.152 1.00 0.00 H new ATOM 0 HD12 LEU A 21 5.307 10.292 2.763 1.00 0.00 H new ATOM 0 HD13 LEU A 21 3.874 10.096 3.800 1.00 0.00 H new ATOM 0 HD21 LEU A 21 2.619 7.821 2.129 1.00 0.00 H new ATOM 0 HD22 LEU A 21 1.718 9.216 2.768 1.00 0.00 H new ATOM 0 HD23 LEU A 21 1.684 8.858 1.025 1.00 0.00 H new ATOM 315 N GLN A 22 2.592 13.781 -0.057 1.00 0.00 N ATOM 316 CA GLN A 22 2.211 15.170 -0.081 1.00 0.00 C ATOM 317 C GLN A 22 1.110 15.413 -1.114 1.00 0.00 C ATOM 318 O GLN A 22 0.271 16.306 -0.941 1.00 0.00 O ATOM 319 CB GLN A 22 3.416 16.111 -0.252 1.00 0.00 C ATOM 320 CG GLN A 22 4.226 15.904 -1.515 1.00 0.00 C ATOM 321 CD GLN A 22 5.460 16.781 -1.559 1.00 0.00 C ATOM 322 OE1 GLN A 22 6.031 17.122 -0.524 1.00 0.00 O ATOM 323 NE2 GLN A 22 5.874 17.149 -2.732 1.00 0.00 N ATOM 0 H GLN A 22 3.551 13.594 -0.350 1.00 0.00 H new ATOM 0 HA GLN A 22 1.795 15.416 0.896 1.00 0.00 H new ATOM 0 HB2 GLN A 22 3.057 17.140 -0.235 1.00 0.00 H new ATOM 0 HB3 GLN A 22 4.076 15.989 0.607 1.00 0.00 H new ATOM 0 HG2 GLN A 22 4.524 14.858 -1.585 1.00 0.00 H new ATOM 0 HG3 GLN A 22 3.602 16.116 -2.383 1.00 0.00 H new ATOM 0 HE21 GLN A 22 5.374 16.846 -3.568 1.00 0.00 H new ATOM 0 HE22 GLN A 22 6.700 17.742 -2.819 1.00 0.00 H new ATOM 332 N LYS A 23 1.113 14.614 -2.178 1.00 0.00 N ATOM 333 CA LYS A 23 0.055 14.669 -3.170 1.00 0.00 C ATOM 334 C LYS A 23 -1.246 14.123 -2.582 1.00 0.00 C ATOM 335 O LYS A 23 -2.283 14.774 -2.660 1.00 0.00 O ATOM 336 CB LYS A 23 0.415 13.865 -4.430 1.00 0.00 C ATOM 337 CG LYS A 23 -0.688 13.875 -5.486 1.00 0.00 C ATOM 338 CD LYS A 23 -0.350 13.003 -6.686 1.00 0.00 C ATOM 339 CE LYS A 23 -1.491 13.015 -7.695 1.00 0.00 C ATOM 340 NZ LYS A 23 -1.221 12.151 -8.864 1.00 0.00 N ATOM 0 H LYS A 23 1.838 13.923 -2.371 1.00 0.00 H new ATOM 0 HA LYS A 23 -0.072 15.714 -3.453 1.00 0.00 H new ATOM 0 HB2 LYS A 23 1.328 14.272 -4.864 1.00 0.00 H new ATOM 0 HB3 LYS A 23 0.628 12.834 -4.147 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -1.619 13.527 -5.038 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -0.858 14.898 -5.820 1.00 0.00 H new ATOM 0 HD2 LYS A 23 0.564 13.363 -7.158 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -0.158 11.981 -6.358 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -2.407 12.684 -7.206 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -1.662 14.037 -8.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -2.026 12.194 -9.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -0.362 12.481 -9.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -1.085 11.170 -8.547 1.00 0.00 H new ATOM 354 N ALA A 24 -1.169 12.936 -1.957 1.00 0.00 N ATOM 355 CA ALA A 24 -2.348 12.263 -1.412 1.00 0.00 C ATOM 356 C ALA A 24 -3.037 13.115 -0.363 1.00 0.00 C ATOM 357 O ALA A 24 -4.258 13.147 -0.286 1.00 0.00 O ATOM 358 CB ALA A 24 -1.968 10.909 -0.828 1.00 0.00 C ATOM 0 H ALA A 24 -0.297 12.426 -1.819 1.00 0.00 H new ATOM 0 HA ALA A 24 -3.050 12.108 -2.232 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -2.858 10.423 -0.427 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -1.534 10.285 -1.609 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -1.240 11.049 -0.029 1.00 0.00 H new ATOM 364 N ASN A 25 -2.244 13.814 0.416 1.00 0.00 N ATOM 365 CA ASN A 25 -2.750 14.687 1.475 1.00 0.00 C ATOM 366 C ASN A 25 -3.484 15.862 0.868 1.00 0.00 C ATOM 367 O ASN A 25 -4.653 16.128 1.175 1.00 0.00 O ATOM 368 CB ASN A 25 -1.572 15.234 2.263 1.00 0.00 C ATOM 369 CG ASN A 25 -1.983 16.048 3.485 1.00 0.00 C ATOM 370 OD1 ASN A 25 -3.022 15.813 4.089 1.00 0.00 O ATOM 371 ND2 ASN A 25 -1.167 17.004 3.851 1.00 0.00 N ATOM 0 H ASN A 25 -1.227 13.800 0.341 1.00 0.00 H new ATOM 0 HA ASN A 25 -3.422 14.116 2.116 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -0.943 14.404 2.584 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -0.965 15.859 1.607 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -1.389 17.581 4.663 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -0.310 17.172 3.325 1.00 0.00 H new ATOM 378 N GLU A 26 -2.792 16.538 -0.015 1.00 0.00 N ATOM 379 CA GLU A 26 -3.299 17.742 -0.676 1.00 0.00 C ATOM 380 C GLU A 26 -4.549 17.438 -1.507 1.00 0.00 C ATOM 381 O GLU A 26 -5.553 18.148 -1.416 1.00 0.00 O ATOM 382 CB GLU A 26 -2.155 18.356 -1.542 1.00 0.00 C ATOM 383 CG GLU A 26 -2.462 19.645 -2.334 1.00 0.00 C ATOM 384 CD GLU A 26 -3.404 19.446 -3.507 1.00 0.00 C ATOM 385 OE1 GLU A 26 -3.025 18.753 -4.475 1.00 0.00 O ATOM 386 OE2 GLU A 26 -4.542 19.952 -3.462 1.00 0.00 O ATOM 0 H GLU A 26 -1.850 16.276 -0.306 1.00 0.00 H new ATOM 0 HA GLU A 26 -3.605 18.471 0.075 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -1.310 18.561 -0.884 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -1.829 17.596 -2.252 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -2.895 20.380 -1.656 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -1.525 20.064 -2.702 1.00 0.00 H new ATOM 393 N SER A 27 -4.516 16.370 -2.256 1.00 0.00 N ATOM 394 CA SER A 27 -5.615 16.038 -3.111 1.00 0.00 C ATOM 395 C SER A 27 -6.696 15.239 -2.371 1.00 0.00 C ATOM 396 O SER A 27 -7.747 14.934 -2.937 1.00 0.00 O ATOM 397 CB SER A 27 -5.099 15.288 -4.324 1.00 0.00 C ATOM 398 OG SER A 27 -4.121 16.071 -5.025 1.00 0.00 O ATOM 0 H SER A 27 -3.735 15.714 -2.289 1.00 0.00 H new ATOM 0 HA SER A 27 -6.091 16.962 -3.441 1.00 0.00 H new ATOM 0 HB2 SER A 27 -4.659 14.341 -4.012 1.00 0.00 H new ATOM 0 HB3 SER A 27 -5.928 15.050 -4.991 1.00 0.00 H new ATOM 0 HG SER A 27 -4.040 16.950 -4.600 1.00 0.00 H new ATOM 404 N LYS A 28 -6.424 14.910 -1.095 1.00 0.00 N ATOM 405 CA LYS A 28 -7.345 14.154 -0.236 1.00 0.00 C ATOM 406 C LYS A 28 -7.692 12.807 -0.847 1.00 0.00 C ATOM 407 O LYS A 28 -8.782 12.257 -0.629 1.00 0.00 O ATOM 408 CB LYS A 28 -8.594 14.958 0.056 1.00 0.00 C ATOM 409 CG LYS A 28 -8.327 16.255 0.798 1.00 0.00 C ATOM 410 CD LYS A 28 -9.615 16.959 1.181 1.00 0.00 C ATOM 411 CE LYS A 28 -10.440 17.360 -0.028 1.00 0.00 C ATOM 412 NZ LYS A 28 -11.708 17.994 0.373 1.00 0.00 N ATOM 0 H LYS A 28 -5.552 15.164 -0.631 1.00 0.00 H new ATOM 0 HA LYS A 28 -6.837 13.964 0.710 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -9.097 15.185 -0.884 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -9.279 14.348 0.645 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -7.745 16.047 1.696 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -7.724 16.914 0.173 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -10.207 16.304 1.820 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -9.379 17.847 1.767 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -9.867 18.049 -0.649 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -10.648 16.480 -0.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -12.249 18.256 -0.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -12.264 17.327 0.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -11.508 18.847 0.933 1.00 0.00 H new ATOM 426 N THR A 29 -6.743 12.266 -1.556 1.00 0.00 N ATOM 427 CA THR A 29 -6.890 11.018 -2.221 1.00 0.00 C ATOM 428 C THR A 29 -6.620 9.888 -1.240 1.00 0.00 C ATOM 429 O THR A 29 -5.780 9.999 -0.337 1.00 0.00 O ATOM 430 CB THR A 29 -5.913 10.920 -3.387 1.00 0.00 C ATOM 431 OG1 THR A 29 -6.016 12.110 -4.176 1.00 0.00 O ATOM 432 CG2 THR A 29 -6.230 9.723 -4.279 1.00 0.00 C ATOM 0 H THR A 29 -5.827 12.696 -1.686 1.00 0.00 H new ATOM 0 HA THR A 29 -7.907 10.940 -2.605 1.00 0.00 H new ATOM 0 HB THR A 29 -4.908 10.799 -2.982 1.00 0.00 H new ATOM 0 HG1 THR A 29 -5.390 12.059 -4.929 1.00 0.00 H new ATOM 0 HG21 THR A 29 -5.515 9.682 -5.101 1.00 0.00 H new ATOM 0 HG22 THR A 29 -6.164 8.806 -3.694 1.00 0.00 H new ATOM 0 HG23 THR A 29 -7.238 9.825 -4.680 1.00 0.00 H new ATOM 440 N LEU A 30 -7.338 8.846 -1.405 1.00 0.00 N ATOM 441 CA LEU A 30 -7.232 7.694 -0.571 1.00 0.00 C ATOM 442 C LEU A 30 -6.029 6.896 -1.092 1.00 0.00 C ATOM 443 O LEU A 30 -5.910 6.650 -2.305 1.00 0.00 O ATOM 444 CB LEU A 30 -8.569 6.893 -0.657 1.00 0.00 C ATOM 445 CG LEU A 30 -8.824 5.698 0.305 1.00 0.00 C ATOM 446 CD1 LEU A 30 -10.246 5.206 0.124 1.00 0.00 C ATOM 447 CD2 LEU A 30 -7.869 4.541 0.065 1.00 0.00 C ATOM 0 H LEU A 30 -8.038 8.759 -2.142 1.00 0.00 H new ATOM 0 HA LEU A 30 -7.074 7.936 0.480 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -9.382 7.604 -0.513 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -8.654 6.513 -1.675 1.00 0.00 H new ATOM 0 HG LEU A 30 -8.659 6.058 1.320 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -10.429 4.368 0.797 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -10.942 6.013 0.352 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -10.391 4.882 -0.907 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -8.092 3.734 0.764 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -7.986 4.179 -0.956 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -6.844 4.878 0.215 1.00 0.00 H new ATOM 459 N VAL A 31 -5.142 6.537 -0.211 1.00 0.00 N ATOM 460 CA VAL A 31 -3.927 5.879 -0.592 1.00 0.00 C ATOM 461 C VAL A 31 -3.734 4.581 0.203 1.00 0.00 C ATOM 462 O VAL A 31 -4.100 4.508 1.370 1.00 0.00 O ATOM 463 CB VAL A 31 -2.713 6.858 -0.418 1.00 0.00 C ATOM 464 CG1 VAL A 31 -2.591 7.359 1.007 1.00 0.00 C ATOM 465 CG2 VAL A 31 -1.414 6.240 -0.876 1.00 0.00 C ATOM 0 H VAL A 31 -5.241 6.692 0.792 1.00 0.00 H new ATOM 0 HA VAL A 31 -3.988 5.600 -1.644 1.00 0.00 H new ATOM 0 HB VAL A 31 -2.917 7.715 -1.060 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -1.738 8.034 1.084 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -3.501 7.891 1.285 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -2.446 6.513 1.679 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -0.602 6.954 -0.737 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -1.212 5.342 -0.291 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -1.488 5.977 -1.931 1.00 0.00 H new ATOM 475 N VAL A 32 -3.207 3.565 -0.437 1.00 0.00 N ATOM 476 CA VAL A 32 -2.923 2.311 0.231 1.00 0.00 C ATOM 477 C VAL A 32 -1.467 1.952 0.000 1.00 0.00 C ATOM 478 O VAL A 32 -0.984 1.958 -1.140 1.00 0.00 O ATOM 479 CB VAL A 32 -3.840 1.162 -0.241 1.00 0.00 C ATOM 480 CG1 VAL A 32 -3.510 -0.136 0.492 1.00 0.00 C ATOM 481 CG2 VAL A 32 -5.309 1.512 -0.051 1.00 0.00 C ATOM 0 H VAL A 32 -2.963 3.580 -1.427 1.00 0.00 H new ATOM 0 HA VAL A 32 -3.119 2.444 1.295 1.00 0.00 H new ATOM 0 HB VAL A 32 -3.659 1.017 -1.306 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -4.170 -0.930 0.142 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -2.474 -0.412 0.295 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -3.650 0.006 1.564 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -5.928 0.682 -0.393 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -5.505 1.700 1.005 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -5.548 2.405 -0.629 1.00 0.00 H new ATOM 491 N VAL A 33 -0.766 1.661 1.062 1.00 0.00 N ATOM 492 CA VAL A 33 0.650 1.396 0.986 1.00 0.00 C ATOM 493 C VAL A 33 0.969 -0.005 1.480 1.00 0.00 C ATOM 494 O VAL A 33 0.474 -0.428 2.523 1.00 0.00 O ATOM 495 CB VAL A 33 1.448 2.427 1.829 1.00 0.00 C ATOM 496 CG1 VAL A 33 2.942 2.164 1.738 1.00 0.00 C ATOM 497 CG2 VAL A 33 1.125 3.851 1.391 1.00 0.00 C ATOM 0 H VAL A 33 -1.156 1.600 2.003 1.00 0.00 H new ATOM 0 HA VAL A 33 0.943 1.480 -0.061 1.00 0.00 H new ATOM 0 HB VAL A 33 1.147 2.314 2.870 1.00 0.00 H new ATOM 0 HG11 VAL A 33 3.478 2.900 2.337 1.00 0.00 H new ATOM 0 HG12 VAL A 33 3.159 1.164 2.113 1.00 0.00 H new ATOM 0 HG13 VAL A 33 3.262 2.240 0.699 1.00 0.00 H new ATOM 0 HG21 VAL A 33 1.696 4.556 1.996 1.00 0.00 H new ATOM 0 HG22 VAL A 33 1.388 3.977 0.341 1.00 0.00 H new ATOM 0 HG23 VAL A 33 0.060 4.039 1.523 1.00 0.00 H new ATOM 507 N ASP A 34 1.778 -0.709 0.729 1.00 0.00 N ATOM 508 CA ASP A 34 2.233 -2.040 1.095 1.00 0.00 C ATOM 509 C ASP A 34 3.728 -2.041 1.345 1.00 0.00 C ATOM 510 O ASP A 34 4.517 -1.539 0.514 1.00 0.00 O ATOM 511 CB ASP A 34 1.865 -3.060 0.011 1.00 0.00 C ATOM 512 CG ASP A 34 2.480 -4.435 0.235 1.00 0.00 C ATOM 513 OD1 ASP A 34 2.154 -5.096 1.231 1.00 0.00 O ATOM 514 OD2 ASP A 34 3.278 -4.878 -0.629 1.00 0.00 O ATOM 0 H ASP A 34 2.146 -0.378 -0.163 1.00 0.00 H new ATOM 0 HA ASP A 34 1.730 -2.330 2.017 1.00 0.00 H new ATOM 0 HB2 ASP A 34 0.780 -3.159 -0.030 1.00 0.00 H new ATOM 0 HB3 ASP A 34 2.188 -2.680 -0.958 1.00 0.00 H new ATOM 519 N PHE A 35 4.117 -2.541 2.495 1.00 0.00 N ATOM 520 CA PHE A 35 5.486 -2.666 2.854 1.00 0.00 C ATOM 521 C PHE A 35 5.918 -4.094 2.605 1.00 0.00 C ATOM 522 O PHE A 35 5.405 -5.037 3.234 1.00 0.00 O ATOM 523 CB PHE A 35 5.685 -2.302 4.319 1.00 0.00 C ATOM 524 CG PHE A 35 5.288 -0.887 4.674 1.00 0.00 C ATOM 525 CD1 PHE A 35 6.204 0.148 4.580 1.00 0.00 C ATOM 526 CD2 PHE A 35 4.000 -0.598 5.107 1.00 0.00 C ATOM 527 CE1 PHE A 35 5.846 1.444 4.909 1.00 0.00 C ATOM 528 CE2 PHE A 35 3.637 0.695 5.436 1.00 0.00 C ATOM 529 CZ PHE A 35 4.562 1.717 5.337 1.00 0.00 C ATOM 0 H PHE A 35 3.470 -2.874 3.210 1.00 0.00 H new ATOM 0 HA PHE A 35 6.089 -1.986 2.253 1.00 0.00 H new ATOM 0 HB2 PHE A 35 5.107 -2.993 4.933 1.00 0.00 H new ATOM 0 HB3 PHE A 35 6.734 -2.447 4.577 1.00 0.00 H new ATOM 0 HD1 PHE A 35 7.210 -0.059 4.246 1.00 0.00 H new ATOM 0 HD2 PHE A 35 3.273 -1.393 5.188 1.00 0.00 H new ATOM 0 HE1 PHE A 35 6.571 2.241 4.831 1.00 0.00 H new ATOM 0 HE2 PHE A 35 2.632 0.906 5.770 1.00 0.00 H new ATOM 0 HZ PHE A 35 4.281 2.728 5.594 1.00 0.00 H new ATOM 539 N THR A 36 6.861 -4.249 1.731 1.00 0.00 N ATOM 540 CA THR A 36 7.282 -5.530 1.263 1.00 0.00 C ATOM 541 C THR A 36 8.734 -5.421 0.870 1.00 0.00 C ATOM 542 O THR A 36 9.219 -4.328 0.650 1.00 0.00 O ATOM 543 CB THR A 36 6.409 -5.938 0.040 1.00 0.00 C ATOM 544 OG1 THR A 36 6.774 -7.216 -0.486 1.00 0.00 O ATOM 545 CG2 THR A 36 6.480 -4.903 -1.054 1.00 0.00 C ATOM 0 H THR A 36 7.371 -3.470 1.314 1.00 0.00 H new ATOM 0 HA THR A 36 7.167 -6.291 2.035 1.00 0.00 H new ATOM 0 HB THR A 36 5.384 -6.003 0.406 1.00 0.00 H new ATOM 0 HG1 THR A 36 6.979 -7.827 0.252 1.00 0.00 H new ATOM 0 HG21 THR A 36 5.860 -5.218 -1.893 1.00 0.00 H new ATOM 0 HG22 THR A 36 6.119 -3.947 -0.674 1.00 0.00 H new ATOM 0 HG23 THR A 36 7.512 -4.795 -1.386 1.00 0.00 H new ATOM 553 N ALA A 37 9.419 -6.513 0.778 1.00 0.00 N ATOM 554 CA ALA A 37 10.842 -6.469 0.503 1.00 0.00 C ATOM 555 C ALA A 37 11.245 -7.469 -0.528 1.00 0.00 C ATOM 556 O ALA A 37 10.622 -8.525 -0.662 1.00 0.00 O ATOM 557 CB ALA A 37 11.643 -6.728 1.763 1.00 0.00 C ATOM 0 H ALA A 37 9.031 -7.450 0.887 1.00 0.00 H new ATOM 0 HA ALA A 37 11.052 -5.469 0.124 1.00 0.00 H new ATOM 0 HB1 ALA A 37 12.707 -6.690 1.532 1.00 0.00 H new ATOM 0 HB2 ALA A 37 11.406 -5.968 2.507 1.00 0.00 H new ATOM 0 HB3 ALA A 37 11.392 -7.713 2.157 1.00 0.00 H new ATOM 563 N SER A 38 12.291 -7.153 -1.243 1.00 0.00 N ATOM 564 CA SER A 38 12.867 -8.073 -2.187 1.00 0.00 C ATOM 565 C SER A 38 13.546 -9.258 -1.424 1.00 0.00 C ATOM 566 O SER A 38 13.801 -10.325 -1.997 1.00 0.00 O ATOM 567 CB SER A 38 13.870 -7.325 -3.085 1.00 0.00 C ATOM 568 OG SER A 38 14.410 -8.165 -4.086 1.00 0.00 O ATOM 0 H SER A 38 12.767 -6.253 -1.188 1.00 0.00 H new ATOM 0 HA SER A 38 12.088 -8.491 -2.825 1.00 0.00 H new ATOM 0 HB2 SER A 38 13.374 -6.475 -3.553 1.00 0.00 H new ATOM 0 HB3 SER A 38 14.678 -6.925 -2.472 1.00 0.00 H new ATOM 0 HG SER A 38 15.040 -7.655 -4.636 1.00 0.00 H new ATOM 574 N TRP A 39 13.832 -9.057 -0.126 1.00 0.00 N ATOM 575 CA TRP A 39 14.413 -10.107 0.720 1.00 0.00 C ATOM 576 C TRP A 39 13.323 -10.815 1.537 1.00 0.00 C ATOM 577 O TRP A 39 13.603 -11.650 2.394 1.00 0.00 O ATOM 578 CB TRP A 39 15.527 -9.539 1.642 1.00 0.00 C ATOM 579 CG TRP A 39 15.130 -8.424 2.578 1.00 0.00 C ATOM 580 CD1 TRP A 39 15.188 -7.114 2.306 1.00 0.00 C ATOM 581 CD2 TRP A 39 14.665 -8.528 3.937 1.00 0.00 C ATOM 582 NE1 TRP A 39 14.767 -6.368 3.382 1.00 0.00 N ATOM 583 CE2 TRP A 39 14.445 -7.215 4.400 1.00 0.00 C ATOM 584 CE3 TRP A 39 14.405 -9.595 4.799 1.00 0.00 C ATOM 585 CZ2 TRP A 39 13.984 -6.942 5.681 1.00 0.00 C ATOM 586 CZ3 TRP A 39 13.948 -9.323 6.071 1.00 0.00 C ATOM 587 CH2 TRP A 39 13.741 -8.007 6.503 1.00 0.00 C ATOM 0 H TRP A 39 13.669 -8.174 0.358 1.00 0.00 H new ATOM 0 HA TRP A 39 14.876 -10.845 0.065 1.00 0.00 H new ATOM 0 HB2 TRP A 39 15.925 -10.359 2.240 1.00 0.00 H new ATOM 0 HB3 TRP A 39 16.340 -9.180 1.011 1.00 0.00 H new ATOM 0 HD1 TRP A 39 15.521 -6.699 1.366 1.00 0.00 H new ATOM 0 HE1 TRP A 39 14.706 -5.350 3.413 1.00 0.00 H new ATOM 0 HE3 TRP A 39 14.559 -10.614 4.476 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 13.824 -5.928 6.015 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 13.746 -10.140 6.747 1.00 0.00 H new ATOM 0 HH2 TRP A 39 13.382 -7.830 7.506 1.00 0.00 H new ATOM 598 N CYS A 40 12.103 -10.493 1.226 1.00 0.00 N ATOM 599 CA CYS A 40 10.934 -11.018 1.900 1.00 0.00 C ATOM 600 C CYS A 40 10.373 -12.232 1.148 1.00 0.00 C ATOM 601 O CYS A 40 10.639 -12.406 -0.046 1.00 0.00 O ATOM 602 CB CYS A 40 9.916 -9.886 2.007 1.00 0.00 C ATOM 603 SG CYS A 40 8.218 -10.345 2.423 1.00 0.00 S ATOM 0 H CYS A 40 11.878 -9.840 0.476 1.00 0.00 H new ATOM 0 HA CYS A 40 11.188 -11.371 2.899 1.00 0.00 H new ATOM 0 HB2 CYS A 40 10.271 -9.182 2.760 1.00 0.00 H new ATOM 0 HB3 CYS A 40 9.900 -9.354 1.056 1.00 0.00 H new ATOM 608 N GLY A 41 9.625 -13.072 1.850 1.00 0.00 N ATOM 609 CA GLY A 41 9.085 -14.284 1.250 1.00 0.00 C ATOM 610 C GLY A 41 7.558 -14.268 1.066 1.00 0.00 C ATOM 611 O GLY A 41 7.080 -14.154 -0.059 1.00 0.00 O ATOM 0 H GLY A 41 9.379 -12.938 2.831 1.00 0.00 H new ATOM 0 HA2 GLY A 41 9.556 -14.436 0.279 1.00 0.00 H new ATOM 0 HA3 GLY A 41 9.356 -15.137 1.873 1.00 0.00 H new ATOM 615 N PRO A 42 6.763 -14.379 2.172 1.00 0.00 N ATOM 616 CA PRO A 42 5.272 -14.448 2.126 1.00 0.00 C ATOM 617 C PRO A 42 4.612 -13.315 1.338 1.00 0.00 C ATOM 618 O PRO A 42 3.559 -13.495 0.716 1.00 0.00 O ATOM 619 CB PRO A 42 4.863 -14.363 3.613 1.00 0.00 C ATOM 620 CG PRO A 42 6.091 -13.902 4.326 1.00 0.00 C ATOM 621 CD PRO A 42 7.238 -14.469 3.557 1.00 0.00 C ATOM 0 HA PRO A 42 4.947 -15.353 1.612 1.00 0.00 H new ATOM 0 HB2 PRO A 42 4.038 -13.665 3.756 1.00 0.00 H new ATOM 0 HB3 PRO A 42 4.530 -15.331 3.987 1.00 0.00 H new ATOM 0 HG2 PRO A 42 6.140 -12.814 4.358 1.00 0.00 H new ATOM 0 HG3 PRO A 42 6.100 -14.252 5.358 1.00 0.00 H new ATOM 0 HD2 PRO A 42 8.153 -13.897 3.711 1.00 0.00 H new ATOM 0 HD3 PRO A 42 7.453 -15.498 3.847 1.00 0.00 H new ATOM 629 N CYS A 43 5.237 -12.174 1.346 1.00 0.00 N ATOM 630 CA CYS A 43 4.721 -10.996 0.681 1.00 0.00 C ATOM 631 C CYS A 43 4.700 -11.181 -0.831 1.00 0.00 C ATOM 632 O CYS A 43 3.808 -10.712 -1.512 1.00 0.00 O ATOM 633 CB CYS A 43 5.580 -9.835 1.050 1.00 0.00 C ATOM 634 SG CYS A 43 7.312 -10.087 0.635 1.00 0.00 S ATOM 0 H CYS A 43 6.129 -12.025 1.817 1.00 0.00 H new ATOM 0 HA CYS A 43 3.694 -10.821 1.000 1.00 0.00 H new ATOM 0 HB2 CYS A 43 5.215 -8.943 0.540 1.00 0.00 H new ATOM 0 HB3 CYS A 43 5.491 -9.649 2.120 1.00 0.00 H new ATOM 639 N ARG A 44 5.671 -11.908 -1.324 1.00 0.00 N ATOM 640 CA ARG A 44 5.813 -12.192 -2.749 1.00 0.00 C ATOM 641 C ARG A 44 4.580 -12.941 -3.303 1.00 0.00 C ATOM 642 O ARG A 44 4.223 -12.793 -4.474 1.00 0.00 O ATOM 643 CB ARG A 44 7.124 -12.963 -2.996 1.00 0.00 C ATOM 644 CG ARG A 44 7.382 -13.375 -4.433 1.00 0.00 C ATOM 645 CD ARG A 44 8.753 -14.020 -4.578 1.00 0.00 C ATOM 646 NE ARG A 44 8.933 -15.175 -3.677 1.00 0.00 N ATOM 647 CZ ARG A 44 10.122 -15.730 -3.374 1.00 0.00 C ATOM 648 NH1 ARG A 44 11.237 -15.305 -3.974 1.00 0.00 N ATOM 649 NH2 ARG A 44 10.188 -16.717 -2.489 1.00 0.00 N ATOM 0 H ARG A 44 6.400 -12.329 -0.748 1.00 0.00 H new ATOM 0 HA ARG A 44 5.866 -11.250 -3.294 1.00 0.00 H new ATOM 0 HB2 ARG A 44 7.957 -12.345 -2.659 1.00 0.00 H new ATOM 0 HB3 ARG A 44 7.120 -13.859 -2.375 1.00 0.00 H new ATOM 0 HG2 ARG A 44 6.611 -14.074 -4.759 1.00 0.00 H new ATOM 0 HG3 ARG A 44 7.316 -12.502 -5.083 1.00 0.00 H new ATOM 0 HD2 ARG A 44 8.891 -14.343 -5.610 1.00 0.00 H new ATOM 0 HD3 ARG A 44 9.524 -13.278 -4.370 1.00 0.00 H new ATOM 0 HE ARG A 44 8.098 -15.581 -3.254 1.00 0.00 H new ATOM 0 HH11 ARG A 44 11.191 -14.557 -4.665 1.00 0.00 H new ATOM 0 HH12 ARG A 44 12.135 -15.729 -3.741 1.00 0.00 H new ATOM 0 HH21 ARG A 44 9.338 -17.055 -2.038 1.00 0.00 H new ATOM 0 HH22 ARG A 44 11.089 -17.137 -2.260 1.00 0.00 H new ATOM 663 N PHE A 45 3.931 -13.712 -2.449 1.00 0.00 N ATOM 664 CA PHE A 45 2.738 -14.457 -2.827 1.00 0.00 C ATOM 665 C PHE A 45 1.480 -13.561 -2.822 1.00 0.00 C ATOM 666 O PHE A 45 0.583 -13.733 -3.646 1.00 0.00 O ATOM 667 CB PHE A 45 2.551 -15.668 -1.884 1.00 0.00 C ATOM 668 CG PHE A 45 1.292 -16.469 -2.119 1.00 0.00 C ATOM 669 CD1 PHE A 45 1.199 -17.350 -3.184 1.00 0.00 C ATOM 670 CD2 PHE A 45 0.196 -16.328 -1.275 1.00 0.00 C ATOM 671 CE1 PHE A 45 0.044 -18.079 -3.402 1.00 0.00 C ATOM 672 CE2 PHE A 45 -0.961 -17.054 -1.490 1.00 0.00 C ATOM 673 CZ PHE A 45 -1.036 -17.930 -2.554 1.00 0.00 C ATOM 0 H PHE A 45 4.213 -13.841 -1.477 1.00 0.00 H new ATOM 0 HA PHE A 45 2.874 -14.817 -3.847 1.00 0.00 H new ATOM 0 HB2 PHE A 45 3.410 -16.330 -1.991 1.00 0.00 H new ATOM 0 HB3 PHE A 45 2.550 -15.311 -0.854 1.00 0.00 H new ATOM 0 HD1 PHE A 45 2.039 -17.469 -3.852 1.00 0.00 H new ATOM 0 HD2 PHE A 45 0.249 -15.643 -0.442 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -0.013 -18.764 -4.235 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -1.805 -16.936 -0.826 1.00 0.00 H new ATOM 0 HZ PHE A 45 -1.939 -18.499 -2.723 1.00 0.00 H new ATOM 683 N ILE A 46 1.437 -12.594 -1.921 1.00 0.00 N ATOM 684 CA ILE A 46 0.243 -11.753 -1.771 1.00 0.00 C ATOM 685 C ILE A 46 0.329 -10.507 -2.703 1.00 0.00 C ATOM 686 O ILE A 46 -0.691 -9.921 -3.082 1.00 0.00 O ATOM 687 CB ILE A 46 0.064 -11.305 -0.275 1.00 0.00 C ATOM 688 CG1 ILE A 46 -1.303 -10.670 -0.023 1.00 0.00 C ATOM 689 CG2 ILE A 46 1.160 -10.366 0.162 1.00 0.00 C ATOM 690 CD1 ILE A 46 -2.443 -11.653 -0.093 1.00 0.00 C ATOM 0 H ILE A 46 2.201 -12.367 -1.285 1.00 0.00 H new ATOM 0 HA ILE A 46 -0.627 -12.343 -2.061 1.00 0.00 H new ATOM 0 HB ILE A 46 0.129 -12.213 0.324 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -1.300 -10.198 0.959 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -1.469 -9.880 -0.756 1.00 0.00 H new ATOM 0 HG21 ILE A 46 1.001 -10.079 1.201 1.00 0.00 H new ATOM 0 HG22 ILE A 46 2.125 -10.864 0.067 1.00 0.00 H new ATOM 0 HG23 ILE A 46 1.148 -9.475 -0.466 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -3.383 -11.134 0.096 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -2.472 -12.107 -1.083 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -2.300 -12.430 0.658 1.00 0.00 H new ATOM 702 N ALA A 47 1.556 -10.150 -3.081 1.00 0.00 N ATOM 703 CA ALA A 47 1.844 -8.979 -3.929 1.00 0.00 C ATOM 704 C ALA A 47 1.019 -8.912 -5.246 1.00 0.00 C ATOM 705 O ALA A 47 0.460 -7.846 -5.557 1.00 0.00 O ATOM 706 CB ALA A 47 3.342 -8.853 -4.205 1.00 0.00 C ATOM 0 H ALA A 47 2.392 -10.667 -2.807 1.00 0.00 H new ATOM 0 HA ALA A 47 1.516 -8.118 -3.347 1.00 0.00 H new ATOM 0 HB1 ALA A 47 3.524 -7.981 -4.833 1.00 0.00 H new ATOM 0 HB2 ALA A 47 3.877 -8.740 -3.262 1.00 0.00 H new ATOM 0 HB3 ALA A 47 3.694 -9.748 -4.717 1.00 0.00 H new ATOM 712 N PRO A 48 0.910 -10.026 -6.056 1.00 0.00 N ATOM 713 CA PRO A 48 0.119 -10.015 -7.304 1.00 0.00 C ATOM 714 C PRO A 48 -1.355 -9.685 -7.056 1.00 0.00 C ATOM 715 O PRO A 48 -2.049 -9.167 -7.935 1.00 0.00 O ATOM 716 CB PRO A 48 0.258 -11.445 -7.829 1.00 0.00 C ATOM 717 CG PRO A 48 1.525 -11.935 -7.233 1.00 0.00 C ATOM 718 CD PRO A 48 1.564 -11.344 -5.863 1.00 0.00 C ATOM 0 HA PRO A 48 0.472 -9.253 -7.999 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -0.588 -12.063 -7.528 1.00 0.00 H new ATOM 0 HB3 PRO A 48 0.297 -11.467 -8.918 1.00 0.00 H new ATOM 0 HG2 PRO A 48 1.547 -13.024 -7.193 1.00 0.00 H new ATOM 0 HG3 PRO A 48 2.386 -11.620 -7.823 1.00 0.00 H new ATOM 0 HD2 PRO A 48 1.028 -11.960 -5.141 1.00 0.00 H new ATOM 0 HD3 PRO A 48 2.585 -11.239 -5.496 1.00 0.00 H new ATOM 726 N PHE A 49 -1.820 -9.972 -5.858 1.00 0.00 N ATOM 727 CA PHE A 49 -3.189 -9.688 -5.491 1.00 0.00 C ATOM 728 C PHE A 49 -3.347 -8.206 -5.154 1.00 0.00 C ATOM 729 O PHE A 49 -4.358 -7.596 -5.470 1.00 0.00 O ATOM 730 CB PHE A 49 -3.643 -10.580 -4.332 1.00 0.00 C ATOM 731 CG PHE A 49 -5.067 -10.361 -3.924 1.00 0.00 C ATOM 732 CD1 PHE A 49 -6.099 -10.844 -4.703 1.00 0.00 C ATOM 733 CD2 PHE A 49 -5.372 -9.677 -2.767 1.00 0.00 C ATOM 734 CE1 PHE A 49 -7.413 -10.647 -4.335 1.00 0.00 C ATOM 735 CE2 PHE A 49 -6.679 -9.478 -2.394 1.00 0.00 C ATOM 736 CZ PHE A 49 -7.702 -9.963 -3.178 1.00 0.00 C ATOM 0 H PHE A 49 -1.265 -10.404 -5.119 1.00 0.00 H new ATOM 0 HA PHE A 49 -3.832 -9.912 -6.342 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -3.513 -11.624 -4.616 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -2.997 -10.401 -3.473 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -5.874 -11.383 -5.612 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -4.575 -9.293 -2.147 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -8.212 -11.029 -4.953 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -6.905 -8.941 -1.485 1.00 0.00 H new ATOM 0 HZ PHE A 49 -8.729 -9.806 -2.884 1.00 0.00 H new ATOM 746 N PHE A 50 -2.329 -7.629 -4.545 1.00 0.00 N ATOM 747 CA PHE A 50 -2.338 -6.201 -4.210 1.00 0.00 C ATOM 748 C PHE A 50 -2.274 -5.376 -5.498 1.00 0.00 C ATOM 749 O PHE A 50 -2.869 -4.303 -5.598 1.00 0.00 O ATOM 750 CB PHE A 50 -1.163 -5.870 -3.272 1.00 0.00 C ATOM 751 CG PHE A 50 -1.123 -4.442 -2.794 1.00 0.00 C ATOM 752 CD1 PHE A 50 -1.925 -4.033 -1.746 1.00 0.00 C ATOM 753 CD2 PHE A 50 -0.274 -3.517 -3.381 1.00 0.00 C ATOM 754 CE1 PHE A 50 -1.887 -2.734 -1.291 1.00 0.00 C ATOM 755 CE2 PHE A 50 -0.233 -2.213 -2.930 1.00 0.00 C ATOM 756 CZ PHE A 50 -1.040 -1.821 -1.884 1.00 0.00 C ATOM 0 H PHE A 50 -1.479 -8.121 -4.268 1.00 0.00 H new ATOM 0 HA PHE A 50 -3.261 -5.951 -3.686 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -1.212 -6.528 -2.404 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -0.229 -6.092 -3.789 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -2.591 -4.742 -1.277 1.00 0.00 H new ATOM 0 HD2 PHE A 50 0.362 -3.820 -4.200 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -2.520 -2.430 -0.470 1.00 0.00 H new ATOM 0 HE2 PHE A 50 0.431 -1.500 -3.397 1.00 0.00 H new ATOM 0 HZ PHE A 50 -1.009 -0.801 -1.529 1.00 0.00 H new ATOM 766 N ALA A 51 -1.570 -5.905 -6.488 1.00 0.00 N ATOM 767 CA ALA A 51 -1.492 -5.266 -7.794 1.00 0.00 C ATOM 768 C ALA A 51 -2.859 -5.325 -8.483 1.00 0.00 C ATOM 769 O ALA A 51 -3.217 -4.450 -9.276 1.00 0.00 O ATOM 770 CB ALA A 51 -0.428 -5.941 -8.650 1.00 0.00 C ATOM 0 H ALA A 51 -1.044 -6.776 -6.412 1.00 0.00 H new ATOM 0 HA ALA A 51 -1.211 -4.221 -7.664 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -0.381 -5.453 -9.624 1.00 0.00 H new ATOM 0 HB2 ALA A 51 0.541 -5.861 -8.157 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -0.682 -6.993 -8.783 1.00 0.00 H new ATOM 776 N ASP A 52 -3.622 -6.349 -8.149 1.00 0.00 N ATOM 777 CA ASP A 52 -4.970 -6.551 -8.689 1.00 0.00 C ATOM 778 C ASP A 52 -5.899 -5.555 -8.064 1.00 0.00 C ATOM 779 O ASP A 52 -6.733 -4.942 -8.737 1.00 0.00 O ATOM 780 CB ASP A 52 -5.447 -7.953 -8.362 1.00 0.00 C ATOM 781 CG ASP A 52 -6.774 -8.298 -8.996 1.00 0.00 C ATOM 782 OD1 ASP A 52 -6.797 -8.603 -10.209 1.00 0.00 O ATOM 783 OD2 ASP A 52 -7.805 -8.269 -8.311 1.00 0.00 O ATOM 0 H ASP A 52 -3.330 -7.073 -7.492 1.00 0.00 H new ATOM 0 HA ASP A 52 -4.954 -6.419 -9.771 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -4.697 -8.671 -8.694 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -5.531 -8.057 -7.280 1.00 0.00 H new ATOM 788 N LEU A 53 -5.735 -5.399 -6.772 1.00 0.00 N ATOM 789 CA LEU A 53 -6.453 -4.444 -5.982 1.00 0.00 C ATOM 790 C LEU A 53 -6.288 -3.030 -6.539 1.00 0.00 C ATOM 791 O LEU A 53 -7.237 -2.241 -6.549 1.00 0.00 O ATOM 792 CB LEU A 53 -5.949 -4.517 -4.544 1.00 0.00 C ATOM 793 CG LEU A 53 -6.213 -5.812 -3.783 1.00 0.00 C ATOM 794 CD1 LEU A 53 -5.714 -5.702 -2.349 1.00 0.00 C ATOM 795 CD2 LEU A 53 -7.689 -6.174 -3.815 1.00 0.00 C ATOM 0 H LEU A 53 -5.074 -5.955 -6.229 1.00 0.00 H new ATOM 0 HA LEU A 53 -7.516 -4.682 -6.012 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -4.873 -4.343 -4.553 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -6.400 -3.697 -3.985 1.00 0.00 H new ATOM 0 HG LEU A 53 -5.662 -6.612 -4.277 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -5.911 -6.636 -1.822 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -4.642 -5.506 -2.351 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -6.231 -4.885 -1.845 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -7.848 -7.101 -3.265 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -8.270 -5.375 -3.355 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -8.009 -6.306 -4.849 1.00 0.00 H new ATOM 807 N ALA A 54 -5.092 -2.735 -7.028 1.00 0.00 N ATOM 808 CA ALA A 54 -4.785 -1.440 -7.617 1.00 0.00 C ATOM 809 C ALA A 54 -5.632 -1.174 -8.861 1.00 0.00 C ATOM 810 O ALA A 54 -5.985 -0.034 -9.156 1.00 0.00 O ATOM 811 CB ALA A 54 -3.302 -1.354 -7.952 1.00 0.00 C ATOM 0 H ALA A 54 -4.307 -3.387 -7.027 1.00 0.00 H new ATOM 0 HA ALA A 54 -5.028 -0.671 -6.883 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -3.084 -0.381 -8.392 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -2.715 -1.480 -7.042 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -3.043 -2.139 -8.662 1.00 0.00 H new ATOM 817 N LYS A 55 -5.945 -2.228 -9.587 1.00 0.00 N ATOM 818 CA LYS A 55 -6.745 -2.116 -10.789 1.00 0.00 C ATOM 819 C LYS A 55 -8.239 -2.016 -10.448 1.00 0.00 C ATOM 820 O LYS A 55 -9.045 -1.507 -11.236 1.00 0.00 O ATOM 821 CB LYS A 55 -6.429 -3.295 -11.718 1.00 0.00 C ATOM 822 CG LYS A 55 -7.155 -3.281 -13.044 1.00 0.00 C ATOM 823 CD LYS A 55 -6.661 -4.400 -13.935 1.00 0.00 C ATOM 824 CE LYS A 55 -7.385 -4.404 -15.261 1.00 0.00 C ATOM 825 NZ LYS A 55 -6.817 -5.394 -16.197 1.00 0.00 N ATOM 0 H LYS A 55 -5.654 -3.180 -9.363 1.00 0.00 H new ATOM 0 HA LYS A 55 -6.492 -1.196 -11.315 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -5.356 -3.309 -11.909 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -6.672 -4.222 -11.198 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -8.227 -3.387 -12.879 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -7.002 -2.321 -13.538 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -5.590 -4.288 -14.103 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -6.807 -5.358 -13.435 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -8.440 -4.623 -15.097 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -7.331 -3.411 -15.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -7.342 -5.365 -17.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -5.817 -5.171 -16.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -6.891 -6.345 -15.783 1.00 0.00 H new ATOM 839 N LYS A 56 -8.586 -2.462 -9.261 1.00 0.00 N ATOM 840 CA LYS A 56 -9.968 -2.471 -8.813 1.00 0.00 C ATOM 841 C LYS A 56 -10.422 -1.099 -8.325 1.00 0.00 C ATOM 842 O LYS A 56 -11.554 -0.686 -8.585 1.00 0.00 O ATOM 843 CB LYS A 56 -10.166 -3.511 -7.713 1.00 0.00 C ATOM 844 CG LYS A 56 -9.928 -4.943 -8.159 1.00 0.00 C ATOM 845 CD LYS A 56 -10.075 -5.932 -7.004 1.00 0.00 C ATOM 846 CE LYS A 56 -11.461 -5.887 -6.368 1.00 0.00 C ATOM 847 NZ LYS A 56 -12.535 -6.208 -7.330 1.00 0.00 N ATOM 0 H LYS A 56 -7.923 -2.828 -8.578 1.00 0.00 H new ATOM 0 HA LYS A 56 -10.584 -2.735 -9.673 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -9.492 -3.283 -6.887 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -11.182 -3.427 -7.328 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -10.635 -5.199 -8.948 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -8.929 -5.029 -8.585 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -9.878 -6.941 -7.367 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -9.324 -5.714 -6.245 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -11.499 -6.592 -5.537 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -11.635 -4.894 -5.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -13.445 -6.264 -6.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -12.585 -5.465 -8.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -12.333 -7.122 -7.784 1.00 0.00 H new ATOM 861 N LEU A 57 -9.556 -0.400 -7.613 1.00 0.00 N ATOM 862 CA LEU A 57 -9.887 0.895 -7.086 1.00 0.00 C ATOM 863 C LEU A 57 -9.210 1.998 -7.914 1.00 0.00 C ATOM 864 O LEU A 57 -8.016 2.232 -7.788 1.00 0.00 O ATOM 865 CB LEU A 57 -9.509 1.013 -5.591 1.00 0.00 C ATOM 866 CG LEU A 57 -10.274 0.117 -4.566 1.00 0.00 C ATOM 867 CD1 LEU A 57 -9.960 -1.360 -4.723 1.00 0.00 C ATOM 868 CD2 LEU A 57 -10.006 0.567 -3.142 1.00 0.00 C ATOM 0 H LEU A 57 -8.613 -0.718 -7.390 1.00 0.00 H new ATOM 0 HA LEU A 57 -10.967 1.021 -7.158 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -8.446 0.793 -5.498 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -9.647 2.052 -5.293 1.00 0.00 H new ATOM 0 HG LEU A 57 -11.335 0.242 -4.783 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -10.521 -1.932 -3.984 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -10.241 -1.687 -5.724 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -8.893 -1.523 -4.574 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -10.551 -0.074 -2.449 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -8.938 0.501 -2.934 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -10.336 1.598 -3.018 1.00 0.00 H new ATOM 880 N PRO A 58 -9.980 2.689 -8.774 1.00 0.00 N ATOM 881 CA PRO A 58 -9.437 3.693 -9.701 1.00 0.00 C ATOM 882 C PRO A 58 -9.090 5.026 -9.038 1.00 0.00 C ATOM 883 O PRO A 58 -8.260 5.796 -9.544 1.00 0.00 O ATOM 884 CB PRO A 58 -10.580 3.889 -10.698 1.00 0.00 C ATOM 885 CG PRO A 58 -11.815 3.603 -9.916 1.00 0.00 C ATOM 886 CD PRO A 58 -11.447 2.537 -8.923 1.00 0.00 C ATOM 0 HA PRO A 58 -8.496 3.357 -10.137 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -10.589 4.904 -11.096 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -10.484 3.214 -11.548 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -12.171 4.500 -9.410 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -12.619 3.265 -10.569 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -11.963 2.679 -7.973 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -11.712 1.544 -9.285 1.00 0.00 H new ATOM 894 N ASN A 59 -9.713 5.293 -7.925 1.00 0.00 N ATOM 895 CA ASN A 59 -9.552 6.533 -7.228 1.00 0.00 C ATOM 896 C ASN A 59 -8.589 6.382 -6.068 1.00 0.00 C ATOM 897 O ASN A 59 -8.444 7.290 -5.241 1.00 0.00 O ATOM 898 CB ASN A 59 -10.906 7.005 -6.711 1.00 0.00 C ATOM 899 CG ASN A 59 -11.555 6.061 -5.692 1.00 0.00 C ATOM 900 OD1 ASN A 59 -11.362 4.835 -5.722 1.00 0.00 O ATOM 901 ND2 ASN A 59 -12.323 6.624 -4.795 1.00 0.00 N ATOM 0 H ASN A 59 -10.356 4.644 -7.472 1.00 0.00 H new ATOM 0 HA ASN A 59 -9.143 7.268 -7.921 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -10.785 7.987 -6.254 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -11.582 7.128 -7.557 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -12.787 6.052 -4.089 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -12.458 7.635 -4.801 1.00 0.00 H new ATOM 908 N VAL A 60 -7.939 5.250 -6.001 1.00 0.00 N ATOM 909 CA VAL A 60 -7.010 4.985 -4.944 1.00 0.00 C ATOM 910 C VAL A 60 -5.616 4.827 -5.506 1.00 0.00 C ATOM 911 O VAL A 60 -5.409 4.139 -6.518 1.00 0.00 O ATOM 912 CB VAL A 60 -7.418 3.738 -4.120 1.00 0.00 C ATOM 913 CG1 VAL A 60 -6.400 3.438 -3.028 1.00 0.00 C ATOM 914 CG2 VAL A 60 -8.792 3.948 -3.507 1.00 0.00 C ATOM 0 H VAL A 60 -8.040 4.492 -6.676 1.00 0.00 H new ATOM 0 HA VAL A 60 -7.022 5.837 -4.264 1.00 0.00 H new ATOM 0 HB VAL A 60 -7.449 2.883 -4.795 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -6.716 2.558 -2.468 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -5.426 3.251 -3.480 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -6.329 4.291 -2.353 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -9.071 3.067 -2.929 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -8.769 4.819 -2.852 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -9.523 4.109 -4.299 1.00 0.00 H new ATOM 924 N LEU A 61 -4.680 5.470 -4.873 1.00 0.00 N ATOM 925 CA LEU A 61 -3.316 5.428 -5.298 1.00 0.00 C ATOM 926 C LEU A 61 -2.615 4.387 -4.408 1.00 0.00 C ATOM 927 O LEU A 61 -2.723 4.443 -3.183 1.00 0.00 O ATOM 928 CB LEU A 61 -2.699 6.839 -5.103 1.00 0.00 C ATOM 929 CG LEU A 61 -1.493 7.238 -5.984 1.00 0.00 C ATOM 930 CD1 LEU A 61 -0.992 8.624 -5.612 1.00 0.00 C ATOM 931 CD2 LEU A 61 -0.368 6.231 -5.934 1.00 0.00 C ATOM 0 H LEU A 61 -4.844 6.041 -4.044 1.00 0.00 H new ATOM 0 HA LEU A 61 -3.210 5.154 -6.348 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -3.488 7.573 -5.267 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -2.393 6.927 -4.061 1.00 0.00 H new ATOM 0 HG LEU A 61 -1.850 7.254 -7.014 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -0.143 8.886 -6.244 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -1.791 9.351 -5.758 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -0.682 8.631 -4.567 1.00 0.00 H new ATOM 0 HD21 LEU A 61 0.449 6.567 -6.572 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -0.011 6.134 -4.909 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -0.729 5.264 -6.285 1.00 0.00 H new ATOM 943 N PHE A 62 -1.945 3.430 -5.011 1.00 0.00 N ATOM 944 CA PHE A 62 -1.264 2.394 -4.249 1.00 0.00 C ATOM 945 C PHE A 62 0.232 2.539 -4.410 1.00 0.00 C ATOM 946 O PHE A 62 0.719 2.891 -5.490 1.00 0.00 O ATOM 947 CB PHE A 62 -1.684 0.997 -4.708 1.00 0.00 C ATOM 948 CG PHE A 62 -3.163 0.687 -4.564 1.00 0.00 C ATOM 949 CD1 PHE A 62 -4.091 1.191 -5.460 1.00 0.00 C ATOM 950 CD2 PHE A 62 -3.612 -0.127 -3.539 1.00 0.00 C ATOM 951 CE1 PHE A 62 -5.436 0.891 -5.332 1.00 0.00 C ATOM 952 CE2 PHE A 62 -4.955 -0.429 -3.406 1.00 0.00 C ATOM 953 CZ PHE A 62 -5.867 0.080 -4.301 1.00 0.00 C ATOM 0 H PHE A 62 -1.854 3.343 -6.023 1.00 0.00 H new ATOM 0 HA PHE A 62 -1.542 2.513 -3.202 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -1.404 0.876 -5.755 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -1.117 0.260 -4.139 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -3.761 1.826 -6.269 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -2.903 -0.533 -2.832 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -6.148 1.291 -6.038 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -5.288 -1.065 -2.599 1.00 0.00 H new ATOM 0 HZ PHE A 62 -6.916 -0.154 -4.198 1.00 0.00 H new ATOM 963 N LEU A 63 0.954 2.282 -3.358 1.00 0.00 N ATOM 964 CA LEU A 63 2.395 2.384 -3.369 1.00 0.00 C ATOM 965 C LEU A 63 3.035 1.152 -2.793 1.00 0.00 C ATOM 966 O LEU A 63 2.477 0.503 -1.898 1.00 0.00 O ATOM 967 CB LEU A 63 2.934 3.595 -2.577 1.00 0.00 C ATOM 968 CG LEU A 63 2.659 5.015 -3.094 1.00 0.00 C ATOM 969 CD1 LEU A 63 1.218 5.410 -2.910 1.00 0.00 C ATOM 970 CD2 LEU A 63 3.577 6.010 -2.419 1.00 0.00 C ATOM 0 H LEU A 63 0.563 1.994 -2.461 1.00 0.00 H new ATOM 0 HA LEU A 63 2.654 2.507 -4.421 1.00 0.00 H new ATOM 0 HB2 LEU A 63 2.531 3.531 -1.566 1.00 0.00 H new ATOM 0 HB3 LEU A 63 4.015 3.479 -2.497 1.00 0.00 H new ATOM 0 HG LEU A 63 2.862 5.020 -4.165 1.00 0.00 H new ATOM 0 HD11 LEU A 63 1.067 6.421 -3.289 1.00 0.00 H new ATOM 0 HD12 LEU A 63 0.578 4.718 -3.457 1.00 0.00 H new ATOM 0 HD13 LEU A 63 0.964 5.378 -1.850 1.00 0.00 H new ATOM 0 HD21 LEU A 63 3.369 7.011 -2.797 1.00 0.00 H new ATOM 0 HD22 LEU A 63 3.410 5.986 -1.342 1.00 0.00 H new ATOM 0 HD23 LEU A 63 4.614 5.750 -2.631 1.00 0.00 H new ATOM 982 N LYS A 64 4.197 0.841 -3.299 1.00 0.00 N ATOM 983 CA LYS A 64 4.991 -0.214 -2.777 1.00 0.00 C ATOM 984 C LYS A 64 6.224 0.390 -2.170 1.00 0.00 C ATOM 985 O LYS A 64 7.033 1.007 -2.889 1.00 0.00 O ATOM 986 CB LYS A 64 5.471 -1.155 -3.855 1.00 0.00 C ATOM 987 CG LYS A 64 6.125 -2.363 -3.226 1.00 0.00 C ATOM 988 CD LYS A 64 7.062 -3.091 -4.137 1.00 0.00 C ATOM 989 CE LYS A 64 8.283 -2.237 -4.436 1.00 0.00 C ATOM 990 NZ LYS A 64 9.371 -2.982 -5.124 1.00 0.00 N ATOM 0 H LYS A 64 4.615 1.324 -4.094 1.00 0.00 H new ATOM 0 HA LYS A 64 4.379 -0.764 -2.062 1.00 0.00 H new ATOM 0 HB2 LYS A 64 4.633 -1.467 -4.478 1.00 0.00 H new ATOM 0 HB3 LYS A 64 6.180 -0.644 -4.507 1.00 0.00 H new ATOM 0 HG2 LYS A 64 6.671 -2.046 -2.337 1.00 0.00 H new ATOM 0 HG3 LYS A 64 5.349 -3.052 -2.894 1.00 0.00 H new ATOM 0 HD2 LYS A 64 7.371 -4.029 -3.676 1.00 0.00 H new ATOM 0 HD3 LYS A 64 6.552 -3.345 -5.066 1.00 0.00 H new ATOM 0 HE2 LYS A 64 7.983 -1.392 -5.056 1.00 0.00 H new ATOM 0 HE3 LYS A 64 8.668 -1.827 -3.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 9.939 -2.321 -5.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 9.979 -3.441 -4.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 8.957 -3.705 -5.746 1.00 0.00 H new ATOM 1004 N VAL A 65 6.386 0.257 -0.895 1.00 0.00 N ATOM 1005 CA VAL A 65 7.611 0.688 -0.280 1.00 0.00 C ATOM 1006 C VAL A 65 8.468 -0.525 -0.181 1.00 0.00 C ATOM 1007 O VAL A 65 8.103 -1.489 0.508 1.00 0.00 O ATOM 1008 CB VAL A 65 7.388 1.275 1.137 1.00 0.00 C ATOM 1009 CG1 VAL A 65 8.714 1.709 1.763 1.00 0.00 C ATOM 1010 CG2 VAL A 65 6.439 2.445 1.074 1.00 0.00 C ATOM 0 H VAL A 65 5.696 -0.142 -0.258 1.00 0.00 H new ATOM 0 HA VAL A 65 8.064 1.481 -0.875 1.00 0.00 H new ATOM 0 HB VAL A 65 6.952 0.496 1.762 1.00 0.00 H new ATOM 0 HG11 VAL A 65 8.531 2.117 2.757 1.00 0.00 H new ATOM 0 HG12 VAL A 65 9.378 0.848 1.841 1.00 0.00 H new ATOM 0 HG13 VAL A 65 9.179 2.471 1.138 1.00 0.00 H new ATOM 0 HG21 VAL A 65 6.291 2.848 2.076 1.00 0.00 H new ATOM 0 HG22 VAL A 65 6.857 3.219 0.430 1.00 0.00 H new ATOM 0 HG23 VAL A 65 5.482 2.116 0.670 1.00 0.00 H new ATOM 1020 N ASP A 66 9.583 -0.526 -0.857 1.00 0.00 N ATOM 1021 CA ASP A 66 10.378 -1.703 -0.833 1.00 0.00 C ATOM 1022 C ASP A 66 11.275 -1.656 0.347 1.00 0.00 C ATOM 1023 O ASP A 66 12.152 -0.817 0.451 1.00 0.00 O ATOM 1024 CB ASP A 66 11.168 -1.912 -2.087 1.00 0.00 C ATOM 1025 CG ASP A 66 11.580 -3.363 -2.230 1.00 0.00 C ATOM 1026 OD1 ASP A 66 12.370 -3.861 -1.404 1.00 0.00 O ATOM 1027 OD2 ASP A 66 11.046 -4.033 -3.145 1.00 0.00 O ATOM 0 H ASP A 66 9.946 0.250 -1.411 1.00 0.00 H new ATOM 0 HA ASP A 66 9.701 -2.554 -0.763 1.00 0.00 H new ATOM 0 HB2 ASP A 66 10.574 -1.612 -2.950 1.00 0.00 H new ATOM 0 HB3 ASP A 66 12.054 -1.278 -2.073 1.00 0.00 H new ATOM 1032 N THR A 67 11.022 -2.531 1.223 1.00 0.00 N ATOM 1033 CA THR A 67 11.678 -2.657 2.459 1.00 0.00 C ATOM 1034 C THR A 67 13.127 -3.218 2.309 1.00 0.00 C ATOM 1035 O THR A 67 13.880 -3.294 3.261 1.00 0.00 O ATOM 1036 CB THR A 67 10.785 -3.466 3.374 1.00 0.00 C ATOM 1037 OG1 THR A 67 9.480 -2.848 3.396 1.00 0.00 O ATOM 1038 CG2 THR A 67 11.300 -3.591 4.786 1.00 0.00 C ATOM 0 H THR A 67 10.296 -3.235 1.090 1.00 0.00 H new ATOM 0 HA THR A 67 11.835 -1.678 2.911 1.00 0.00 H new ATOM 0 HB THR A 67 10.753 -4.480 2.975 1.00 0.00 H new ATOM 0 HG1 THR A 67 8.989 -3.092 2.584 1.00 0.00 H new ATOM 0 HG21 THR A 67 10.602 -4.185 5.376 1.00 0.00 H new ATOM 0 HG22 THR A 67 12.274 -4.079 4.776 1.00 0.00 H new ATOM 0 HG23 THR A 67 11.396 -2.599 5.227 1.00 0.00 H new ATOM 1046 N ASP A 68 13.486 -3.652 1.116 1.00 0.00 N ATOM 1047 CA ASP A 68 14.870 -4.065 0.854 1.00 0.00 C ATOM 1048 C ASP A 68 15.695 -2.825 0.620 1.00 0.00 C ATOM 1049 O ASP A 68 16.849 -2.724 1.022 1.00 0.00 O ATOM 1050 CB ASP A 68 14.934 -4.949 -0.390 1.00 0.00 C ATOM 1051 CG ASP A 68 16.329 -5.441 -0.721 1.00 0.00 C ATOM 1052 OD1 ASP A 68 16.731 -6.507 -0.232 1.00 0.00 O ATOM 1053 OD2 ASP A 68 17.036 -4.770 -1.485 1.00 0.00 O ATOM 0 H ASP A 68 12.856 -3.731 0.317 1.00 0.00 H new ATOM 0 HA ASP A 68 15.251 -4.630 1.705 1.00 0.00 H new ATOM 0 HB2 ASP A 68 14.280 -5.809 -0.247 1.00 0.00 H new ATOM 0 HB3 ASP A 68 14.544 -4.391 -1.241 1.00 0.00 H new ATOM 1058 N GLU A 69 15.061 -1.879 -0.001 1.00 0.00 N ATOM 1059 CA GLU A 69 15.639 -0.634 -0.392 1.00 0.00 C ATOM 1060 C GLU A 69 15.486 0.436 0.696 1.00 0.00 C ATOM 1061 O GLU A 69 16.469 1.003 1.177 1.00 0.00 O ATOM 1062 CB GLU A 69 14.937 -0.183 -1.647 1.00 0.00 C ATOM 1063 CG GLU A 69 15.159 -1.080 -2.846 1.00 0.00 C ATOM 1064 CD GLU A 69 14.449 -0.593 -4.083 1.00 0.00 C ATOM 1065 OE1 GLU A 69 15.023 0.203 -4.833 1.00 0.00 O ATOM 1066 OE2 GLU A 69 13.310 -1.015 -4.337 1.00 0.00 O ATOM 0 H GLU A 69 14.078 -1.960 -0.261 1.00 0.00 H new ATOM 0 HA GLU A 69 16.708 -0.771 -0.558 1.00 0.00 H new ATOM 0 HB2 GLU A 69 13.867 -0.122 -1.448 1.00 0.00 H new ATOM 0 HB3 GLU A 69 15.273 0.824 -1.895 1.00 0.00 H new ATOM 0 HG2 GLU A 69 16.228 -1.148 -3.050 1.00 0.00 H new ATOM 0 HG3 GLU A 69 14.815 -2.087 -2.609 1.00 0.00 H new ATOM 1073 N LEU A 70 14.255 0.697 1.071 1.00 0.00 N ATOM 1074 CA LEU A 70 13.897 1.682 2.047 1.00 0.00 C ATOM 1075 C LEU A 70 13.679 0.999 3.384 1.00 0.00 C ATOM 1076 O LEU A 70 12.721 1.298 4.110 1.00 0.00 O ATOM 1077 CB LEU A 70 12.594 2.374 1.614 1.00 0.00 C ATOM 1078 CG LEU A 70 12.618 3.303 0.380 1.00 0.00 C ATOM 1079 CD1 LEU A 70 13.696 4.368 0.498 1.00 0.00 C ATOM 1080 CD2 LEU A 70 12.736 2.532 -0.922 1.00 0.00 C ATOM 0 H LEU A 70 13.449 0.206 0.685 1.00 0.00 H new ATOM 0 HA LEU A 70 14.693 2.421 2.135 1.00 0.00 H new ATOM 0 HB2 LEU A 70 11.854 1.596 1.427 1.00 0.00 H new ATOM 0 HB3 LEU A 70 12.234 2.959 2.460 1.00 0.00 H new ATOM 0 HG LEU A 70 11.655 3.813 0.357 1.00 0.00 H new ATOM 0 HD11 LEU A 70 13.681 5.001 -0.389 1.00 0.00 H new ATOM 0 HD12 LEU A 70 13.510 4.978 1.382 1.00 0.00 H new ATOM 0 HD13 LEU A 70 14.672 3.890 0.586 1.00 0.00 H new ATOM 0 HD21 LEU A 70 12.749 3.231 -1.759 1.00 0.00 H new ATOM 0 HD22 LEU A 70 13.659 1.952 -0.919 1.00 0.00 H new ATOM 0 HD23 LEU A 70 11.885 1.859 -1.024 1.00 0.00 H new ATOM 1092 N LYS A 71 14.604 0.133 3.726 1.00 0.00 N ATOM 1093 CA LYS A 71 14.522 -0.686 4.915 1.00 0.00 C ATOM 1094 C LYS A 71 14.442 0.171 6.181 1.00 0.00 C ATOM 1095 O LYS A 71 13.668 -0.127 7.096 1.00 0.00 O ATOM 1096 CB LYS A 71 15.721 -1.635 4.979 1.00 0.00 C ATOM 1097 CG LYS A 71 15.589 -2.696 6.042 1.00 0.00 C ATOM 1098 CD LYS A 71 16.760 -3.655 6.024 1.00 0.00 C ATOM 1099 CE LYS A 71 16.608 -4.713 7.099 1.00 0.00 C ATOM 1100 NZ LYS A 71 17.715 -5.685 7.082 1.00 0.00 N ATOM 0 H LYS A 71 15.449 -0.026 3.177 1.00 0.00 H new ATOM 0 HA LYS A 71 13.606 -1.274 4.861 1.00 0.00 H new ATOM 0 HB2 LYS A 71 15.846 -2.117 4.009 1.00 0.00 H new ATOM 0 HB3 LYS A 71 16.625 -1.055 5.166 1.00 0.00 H new ATOM 0 HG2 LYS A 71 15.521 -2.223 7.022 1.00 0.00 H new ATOM 0 HG3 LYS A 71 14.663 -3.250 5.890 1.00 0.00 H new ATOM 0 HD2 LYS A 71 16.830 -4.132 5.046 1.00 0.00 H new ATOM 0 HD3 LYS A 71 17.688 -3.105 6.178 1.00 0.00 H new ATOM 0 HE2 LYS A 71 16.564 -4.232 8.076 1.00 0.00 H new ATOM 0 HE3 LYS A 71 15.663 -5.238 6.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 17.570 -6.390 7.833 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 17.743 -6.164 6.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 18.615 -5.189 7.242 1.00 0.00 H new ATOM 1114 N SER A 72 15.207 1.242 6.214 1.00 0.00 N ATOM 1115 CA SER A 72 15.228 2.138 7.346 1.00 0.00 C ATOM 1116 C SER A 72 13.899 2.880 7.479 1.00 0.00 C ATOM 1117 O SER A 72 13.402 3.082 8.579 1.00 0.00 O ATOM 1118 CB SER A 72 16.389 3.105 7.201 1.00 0.00 C ATOM 1119 OG SER A 72 16.337 3.739 5.937 1.00 0.00 O ATOM 0 H SER A 72 15.832 1.514 5.455 1.00 0.00 H new ATOM 0 HA SER A 72 15.366 1.559 8.259 1.00 0.00 H new ATOM 0 HB2 SER A 72 16.351 3.852 7.994 1.00 0.00 H new ATOM 0 HB3 SER A 72 17.333 2.571 7.311 1.00 0.00 H new ATOM 0 HG SER A 72 17.088 4.362 5.853 1.00 0.00 H new ATOM 1125 N VAL A 73 13.318 3.248 6.344 1.00 0.00 N ATOM 1126 CA VAL A 73 12.042 3.950 6.318 1.00 0.00 C ATOM 1127 C VAL A 73 10.945 3.030 6.833 1.00 0.00 C ATOM 1128 O VAL A 73 10.135 3.420 7.655 1.00 0.00 O ATOM 1129 CB VAL A 73 11.684 4.444 4.890 1.00 0.00 C ATOM 1130 CG1 VAL A 73 10.368 5.220 4.885 1.00 0.00 C ATOM 1131 CG2 VAL A 73 12.808 5.295 4.317 1.00 0.00 C ATOM 0 H VAL A 73 13.715 3.070 5.422 1.00 0.00 H new ATOM 0 HA VAL A 73 12.128 4.826 6.960 1.00 0.00 H new ATOM 0 HB VAL A 73 11.558 3.566 4.257 1.00 0.00 H new ATOM 0 HG11 VAL A 73 10.145 5.552 3.871 1.00 0.00 H new ATOM 0 HG12 VAL A 73 9.564 4.575 5.240 1.00 0.00 H new ATOM 0 HG13 VAL A 73 10.454 6.087 5.540 1.00 0.00 H new ATOM 0 HG21 VAL A 73 12.536 5.631 3.316 1.00 0.00 H new ATOM 0 HG22 VAL A 73 12.972 6.161 4.958 1.00 0.00 H new ATOM 0 HG23 VAL A 73 13.722 4.704 4.266 1.00 0.00 H new ATOM 1141 N ALA A 74 10.955 1.800 6.366 1.00 0.00 N ATOM 1142 CA ALA A 74 9.983 0.814 6.802 1.00 0.00 C ATOM 1143 C ALA A 74 10.140 0.540 8.296 1.00 0.00 C ATOM 1144 O ALA A 74 9.160 0.472 9.032 1.00 0.00 O ATOM 1145 CB ALA A 74 10.135 -0.459 6.006 1.00 0.00 C ATOM 0 H ALA A 74 11.628 1.455 5.681 1.00 0.00 H new ATOM 0 HA ALA A 74 8.982 1.208 6.629 1.00 0.00 H new ATOM 0 HB1 ALA A 74 9.400 -1.189 6.344 1.00 0.00 H new ATOM 0 HB2 ALA A 74 9.977 -0.248 4.948 1.00 0.00 H new ATOM 0 HB3 ALA A 74 11.138 -0.861 6.150 1.00 0.00 H new ATOM 1151 N SER A 75 11.382 0.419 8.739 1.00 0.00 N ATOM 1152 CA SER A 75 11.678 0.195 10.142 1.00 0.00 C ATOM 1153 C SER A 75 11.236 1.408 10.984 1.00 0.00 C ATOM 1154 O SER A 75 10.841 1.263 12.144 1.00 0.00 O ATOM 1155 CB SER A 75 13.171 -0.092 10.333 1.00 0.00 C ATOM 1156 OG SER A 75 13.572 -1.225 9.559 1.00 0.00 O ATOM 0 H SER A 75 12.206 0.473 8.140 1.00 0.00 H new ATOM 0 HA SER A 75 11.119 -0.676 10.484 1.00 0.00 H new ATOM 0 HB2 SER A 75 13.754 0.780 10.039 1.00 0.00 H new ATOM 0 HB3 SER A 75 13.379 -0.274 11.387 1.00 0.00 H new ATOM 0 HG SER A 75 13.663 -0.963 8.619 1.00 0.00 H new ATOM 1162 N ASP A 76 11.284 2.589 10.371 1.00 0.00 N ATOM 1163 CA ASP A 76 10.866 3.841 11.006 1.00 0.00 C ATOM 1164 C ASP A 76 9.363 3.824 11.248 1.00 0.00 C ATOM 1165 O ASP A 76 8.880 4.311 12.268 1.00 0.00 O ATOM 1166 CB ASP A 76 11.241 5.031 10.115 1.00 0.00 C ATOM 1167 CG ASP A 76 10.923 6.368 10.732 1.00 0.00 C ATOM 1168 OD1 ASP A 76 11.764 6.882 11.513 1.00 0.00 O ATOM 1169 OD2 ASP A 76 9.851 6.939 10.442 1.00 0.00 O ATOM 0 H ASP A 76 11.616 2.707 9.414 1.00 0.00 H new ATOM 0 HA ASP A 76 11.378 3.941 11.963 1.00 0.00 H new ATOM 0 HB2 ASP A 76 12.307 4.987 9.893 1.00 0.00 H new ATOM 0 HB3 ASP A 76 10.714 4.944 9.165 1.00 0.00 H new ATOM 1174 N TRP A 77 8.635 3.226 10.312 1.00 0.00 N ATOM 1175 CA TRP A 77 7.188 3.053 10.413 1.00 0.00 C ATOM 1176 C TRP A 77 6.820 1.847 11.277 1.00 0.00 C ATOM 1177 O TRP A 77 5.655 1.429 11.311 1.00 0.00 O ATOM 1178 CB TRP A 77 6.542 2.926 9.033 1.00 0.00 C ATOM 1179 CG TRP A 77 6.487 4.201 8.240 1.00 0.00 C ATOM 1180 CD1 TRP A 77 7.486 4.771 7.520 1.00 0.00 C ATOM 1181 CD2 TRP A 77 5.343 5.055 8.081 1.00 0.00 C ATOM 1182 NE1 TRP A 77 7.046 5.929 6.932 1.00 0.00 N ATOM 1183 CE2 TRP A 77 5.734 6.123 7.259 1.00 0.00 C ATOM 1184 CE3 TRP A 77 4.028 5.016 8.560 1.00 0.00 C ATOM 1185 CZ2 TRP A 77 4.859 7.148 6.900 1.00 0.00 C ATOM 1186 CZ3 TRP A 77 3.162 6.033 8.203 1.00 0.00 C ATOM 1187 CH2 TRP A 77 3.580 7.084 7.379 1.00 0.00 C ATOM 0 H TRP A 77 9.034 2.844 9.454 1.00 0.00 H new ATOM 0 HA TRP A 77 6.799 3.949 10.896 1.00 0.00 H new ATOM 0 HB2 TRP A 77 7.092 2.181 8.458 1.00 0.00 H new ATOM 0 HB3 TRP A 77 5.527 2.548 9.156 1.00 0.00 H new ATOM 0 HD1 TRP A 77 8.484 4.370 7.424 1.00 0.00 H new ATOM 0 HE1 TRP A 77 7.608 6.546 6.345 1.00 0.00 H new ATOM 0 HE3 TRP A 77 3.697 4.208 9.195 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 5.180 7.962 6.267 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 2.145 6.016 8.566 1.00 0.00 H new ATOM 0 HH2 TRP A 77 2.877 7.861 7.116 1.00 0.00 H new ATOM 1198 N ALA A 78 7.832 1.288 11.966 1.00 0.00 N ATOM 1199 CA ALA A 78 7.679 0.144 12.879 1.00 0.00 C ATOM 1200 C ALA A 78 7.351 -1.141 12.130 1.00 0.00 C ATOM 1201 O ALA A 78 6.866 -2.111 12.722 1.00 0.00 O ATOM 1202 CB ALA A 78 6.637 0.436 13.967 1.00 0.00 C ATOM 0 H ALA A 78 8.793 1.625 11.902 1.00 0.00 H new ATOM 0 HA ALA A 78 8.641 -0.007 13.369 1.00 0.00 H new ATOM 0 HB1 ALA A 78 6.547 -0.428 14.626 1.00 0.00 H new ATOM 0 HB2 ALA A 78 6.950 1.304 14.548 1.00 0.00 H new ATOM 0 HB3 ALA A 78 5.673 0.640 13.502 1.00 0.00 H new ATOM 1208 N ILE A 79 7.654 -1.167 10.844 1.00 0.00 N ATOM 1209 CA ILE A 79 7.388 -2.334 10.035 1.00 0.00 C ATOM 1210 C ILE A 79 8.510 -3.348 10.223 1.00 0.00 C ATOM 1211 O ILE A 79 9.574 -3.255 9.593 1.00 0.00 O ATOM 1212 CB ILE A 79 7.245 -1.987 8.524 1.00 0.00 C ATOM 1213 CG1 ILE A 79 6.181 -0.892 8.308 1.00 0.00 C ATOM 1214 CG2 ILE A 79 6.909 -3.233 7.703 1.00 0.00 C ATOM 1215 CD1 ILE A 79 4.801 -1.241 8.815 1.00 0.00 C ATOM 0 H ILE A 79 8.084 -0.391 10.341 1.00 0.00 H new ATOM 0 HA ILE A 79 6.437 -2.753 10.365 1.00 0.00 H new ATOM 0 HB ILE A 79 8.205 -1.603 8.179 1.00 0.00 H new ATOM 0 HG12 ILE A 79 6.514 0.021 8.802 1.00 0.00 H new ATOM 0 HG13 ILE A 79 6.117 -0.673 7.242 1.00 0.00 H new ATOM 0 HG21 ILE A 79 6.815 -2.961 6.652 1.00 0.00 H new ATOM 0 HG22 ILE A 79 7.704 -3.970 7.818 1.00 0.00 H new ATOM 0 HG23 ILE A 79 5.968 -3.657 8.054 1.00 0.00 H new ATOM 0 HD11 ILE A 79 4.121 -0.412 8.619 1.00 0.00 H new ATOM 0 HD12 ILE A 79 4.441 -2.134 8.304 1.00 0.00 H new ATOM 0 HD13 ILE A 79 4.844 -1.429 9.888 1.00 0.00 H new ATOM 1227 N GLN A 80 8.296 -4.262 11.127 1.00 0.00 N ATOM 1228 CA GLN A 80 9.260 -5.290 11.411 1.00 0.00 C ATOM 1229 C GLN A 80 8.833 -6.585 10.728 1.00 0.00 C ATOM 1230 O GLN A 80 9.663 -7.397 10.311 1.00 0.00 O ATOM 1231 CB GLN A 80 9.382 -5.482 12.925 1.00 0.00 C ATOM 1232 CG GLN A 80 10.470 -6.453 13.351 1.00 0.00 C ATOM 1233 CD GLN A 80 10.578 -6.578 14.853 1.00 0.00 C ATOM 1234 OE1 GLN A 80 9.596 -6.443 15.579 1.00 0.00 O ATOM 1235 NE2 GLN A 80 11.765 -6.814 15.336 1.00 0.00 N ATOM 0 H GLN A 80 7.447 -4.316 11.689 1.00 0.00 H new ATOM 0 HA GLN A 80 10.237 -4.999 11.026 1.00 0.00 H new ATOM 0 HB2 GLN A 80 9.575 -4.514 13.387 1.00 0.00 H new ATOM 0 HB3 GLN A 80 8.426 -5.835 13.312 1.00 0.00 H new ATOM 0 HG2 GLN A 80 10.266 -7.434 12.922 1.00 0.00 H new ATOM 0 HG3 GLN A 80 11.427 -6.122 12.947 1.00 0.00 H new ATOM 0 HE21 GLN A 80 12.560 -6.921 14.706 1.00 0.00 H new ATOM 0 HE22 GLN A 80 11.899 -6.892 16.344 1.00 0.00 H new ATOM 1244 N ALA A 81 7.543 -6.755 10.597 1.00 0.00 N ATOM 1245 CA ALA A 81 6.988 -7.915 9.955 1.00 0.00 C ATOM 1246 C ALA A 81 6.472 -7.533 8.583 1.00 0.00 C ATOM 1247 O ALA A 81 5.945 -6.438 8.391 1.00 0.00 O ATOM 1248 CB ALA A 81 5.876 -8.506 10.801 1.00 0.00 C ATOM 0 H ALA A 81 6.847 -6.090 10.934 1.00 0.00 H new ATOM 0 HA ALA A 81 7.765 -8.672 9.844 1.00 0.00 H new ATOM 0 HB1 ALA A 81 5.466 -9.384 10.301 1.00 0.00 H new ATOM 0 HB2 ALA A 81 6.273 -8.795 11.774 1.00 0.00 H new ATOM 0 HB3 ALA A 81 5.089 -7.765 10.936 1.00 0.00 H new ATOM 1254 N MET A 82 6.637 -8.412 7.634 1.00 0.00 N ATOM 1255 CA MET A 82 6.213 -8.160 6.286 1.00 0.00 C ATOM 1256 C MET A 82 5.367 -9.305 5.802 1.00 0.00 C ATOM 1257 O MET A 82 5.602 -10.450 6.186 1.00 0.00 O ATOM 1258 CB MET A 82 7.421 -8.008 5.379 1.00 0.00 C ATOM 1259 CG MET A 82 8.289 -6.806 5.681 1.00 0.00 C ATOM 1260 SD MET A 82 9.764 -6.765 4.660 1.00 0.00 S ATOM 1261 CE MET A 82 10.558 -8.285 5.180 1.00 0.00 C ATOM 0 H MET A 82 7.070 -9.325 7.774 1.00 0.00 H new ATOM 0 HA MET A 82 5.631 -7.239 6.264 1.00 0.00 H new ATOM 0 HB2 MET A 82 8.031 -8.908 5.455 1.00 0.00 H new ATOM 0 HB3 MET A 82 7.078 -7.941 4.347 1.00 0.00 H new ATOM 0 HG2 MET A 82 7.713 -5.894 5.522 1.00 0.00 H new ATOM 0 HG3 MET A 82 8.577 -6.822 6.732 1.00 0.00 H new ATOM 0 HE1 MET A 82 11.535 -8.367 4.704 1.00 0.00 H new ATOM 0 HE2 MET A 82 10.682 -8.279 6.263 1.00 0.00 H new ATOM 0 HE3 MET A 82 9.941 -9.135 4.890 1.00 0.00 H new ATOM 1271 N PRO A 83 4.382 -9.037 4.958 1.00 0.00 N ATOM 1272 CA PRO A 83 4.069 -7.688 4.482 1.00 0.00 C ATOM 1273 C PRO A 83 3.110 -6.953 5.409 1.00 0.00 C ATOM 1274 O PRO A 83 2.360 -7.573 6.164 1.00 0.00 O ATOM 1275 CB PRO A 83 3.382 -7.963 3.158 1.00 0.00 C ATOM 1276 CG PRO A 83 2.665 -9.253 3.376 1.00 0.00 C ATOM 1277 CD PRO A 83 3.476 -10.039 4.379 1.00 0.00 C ATOM 0 HA PRO A 83 4.955 -7.056 4.420 1.00 0.00 H new ATOM 0 HB2 PRO A 83 2.690 -7.163 2.895 1.00 0.00 H new ATOM 0 HB3 PRO A 83 4.103 -8.041 2.344 1.00 0.00 H new ATOM 0 HG2 PRO A 83 1.656 -9.076 3.748 1.00 0.00 H new ATOM 0 HG3 PRO A 83 2.568 -9.804 2.441 1.00 0.00 H new ATOM 0 HD2 PRO A 83 2.841 -10.492 5.140 1.00 0.00 H new ATOM 0 HD3 PRO A 83 4.028 -10.849 3.901 1.00 0.00 H new ATOM 1285 N THR A 84 3.160 -5.665 5.382 1.00 0.00 N ATOM 1286 CA THR A 84 2.229 -4.883 6.115 1.00 0.00 C ATOM 1287 C THR A 84 1.499 -3.972 5.159 1.00 0.00 C ATOM 1288 O THR A 84 2.125 -3.220 4.409 1.00 0.00 O ATOM 1289 CB THR A 84 2.899 -4.065 7.216 1.00 0.00 C ATOM 1290 OG1 THR A 84 3.578 -4.935 8.142 1.00 0.00 O ATOM 1291 CG2 THR A 84 1.883 -3.214 7.978 1.00 0.00 C ATOM 0 H THR A 84 3.846 -5.127 4.852 1.00 0.00 H new ATOM 0 HA THR A 84 1.529 -5.558 6.606 1.00 0.00 H new ATOM 0 HB THR A 84 3.619 -3.401 6.738 1.00 0.00 H new ATOM 0 HG1 THR A 84 4.427 -5.230 7.751 1.00 0.00 H new ATOM 0 HG21 THR A 84 2.394 -2.645 8.754 1.00 0.00 H new ATOM 0 HG22 THR A 84 1.393 -2.527 7.288 1.00 0.00 H new ATOM 0 HG23 THR A 84 1.136 -3.862 8.436 1.00 0.00 H new ATOM 1299 N PHE A 85 0.203 -4.037 5.188 1.00 0.00 N ATOM 1300 CA PHE A 85 -0.612 -3.258 4.340 1.00 0.00 C ATOM 1301 C PHE A 85 -1.209 -2.155 5.152 1.00 0.00 C ATOM 1302 O PHE A 85 -1.886 -2.414 6.139 1.00 0.00 O ATOM 1303 CB PHE A 85 -1.745 -4.123 3.804 1.00 0.00 C ATOM 1304 CG PHE A 85 -1.323 -5.303 2.980 1.00 0.00 C ATOM 1305 CD1 PHE A 85 -1.079 -6.532 3.574 1.00 0.00 C ATOM 1306 CD2 PHE A 85 -1.184 -5.187 1.614 1.00 0.00 C ATOM 1307 CE1 PHE A 85 -0.703 -7.618 2.815 1.00 0.00 C ATOM 1308 CE2 PHE A 85 -0.807 -6.268 0.848 1.00 0.00 C ATOM 1309 CZ PHE A 85 -0.568 -7.482 1.448 1.00 0.00 C ATOM 0 H PHE A 85 -0.317 -4.648 5.818 1.00 0.00 H new ATOM 0 HA PHE A 85 -0.022 -2.860 3.514 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -2.334 -4.483 4.648 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -2.402 -3.497 3.200 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -1.185 -6.639 4.643 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -1.373 -4.236 1.138 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -0.515 -8.571 3.287 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -0.699 -6.162 -0.221 1.00 0.00 H new ATOM 0 HZ PHE A 85 -0.274 -8.331 0.848 1.00 0.00 H new ATOM 1319 N MET A 86 -0.966 -0.944 4.775 1.00 0.00 N ATOM 1320 CA MET A 86 -1.535 0.160 5.479 1.00 0.00 C ATOM 1321 C MET A 86 -2.567 0.823 4.616 1.00 0.00 C ATOM 1322 O MET A 86 -2.278 1.283 3.502 1.00 0.00 O ATOM 1323 CB MET A 86 -0.462 1.152 5.929 1.00 0.00 C ATOM 1324 CG MET A 86 -1.007 2.342 6.716 1.00 0.00 C ATOM 1325 SD MET A 86 0.290 3.459 7.311 1.00 0.00 S ATOM 1326 CE MET A 86 1.061 3.964 5.768 1.00 0.00 C ATOM 0 H MET A 86 -0.376 -0.692 3.982 1.00 0.00 H new ATOM 0 HA MET A 86 -2.017 -0.211 6.384 1.00 0.00 H new ATOM 0 HB2 MET A 86 0.269 0.627 6.544 1.00 0.00 H new ATOM 0 HB3 MET A 86 0.067 1.522 5.051 1.00 0.00 H new ATOM 0 HG2 MET A 86 -1.698 2.901 6.085 1.00 0.00 H new ATOM 0 HG3 MET A 86 -1.580 1.975 7.567 1.00 0.00 H new ATOM 0 HE1 MET A 86 1.289 5.029 5.807 1.00 0.00 H new ATOM 0 HE2 MET A 86 1.983 3.401 5.620 1.00 0.00 H new ATOM 0 HE3 MET A 86 0.380 3.768 4.940 1.00 0.00 H new ATOM 1336 N PHE A 87 -3.747 0.868 5.128 1.00 0.00 N ATOM 1337 CA PHE A 87 -4.861 1.407 4.484 1.00 0.00 C ATOM 1338 C PHE A 87 -5.197 2.737 5.111 1.00 0.00 C ATOM 1339 O PHE A 87 -5.508 2.822 6.313 1.00 0.00 O ATOM 1340 CB PHE A 87 -6.022 0.459 4.665 1.00 0.00 C ATOM 1341 CG PHE A 87 -5.866 -0.886 4.004 1.00 0.00 C ATOM 1342 CD1 PHE A 87 -5.269 -1.944 4.676 1.00 0.00 C ATOM 1343 CD2 PHE A 87 -6.327 -1.093 2.716 1.00 0.00 C ATOM 1344 CE1 PHE A 87 -5.136 -3.176 4.074 1.00 0.00 C ATOM 1345 CE2 PHE A 87 -6.193 -2.325 2.106 1.00 0.00 C ATOM 1346 CZ PHE A 87 -5.597 -3.368 2.786 1.00 0.00 C ATOM 0 H PHE A 87 -3.957 0.506 6.058 1.00 0.00 H new ATOM 0 HA PHE A 87 -4.655 1.548 3.423 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -6.180 0.304 5.732 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -6.922 0.935 4.275 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -4.905 -1.800 5.682 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -6.797 -0.281 2.181 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -4.672 -3.991 4.609 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -6.554 -2.472 1.099 1.00 0.00 H new ATOM 0 HZ PHE A 87 -5.491 -4.333 2.312 1.00 0.00 H new ATOM 1356 N LEU A 88 -5.131 3.763 4.342 1.00 0.00 N ATOM 1357 CA LEU A 88 -5.426 5.054 4.841 1.00 0.00 C ATOM 1358 C LEU A 88 -6.297 5.816 3.852 1.00 0.00 C ATOM 1359 O LEU A 88 -6.370 5.463 2.689 1.00 0.00 O ATOM 1360 CB LEU A 88 -4.133 5.841 5.254 1.00 0.00 C ATOM 1361 CG LEU A 88 -3.030 6.107 4.210 1.00 0.00 C ATOM 1362 CD1 LEU A 88 -2.025 7.091 4.780 1.00 0.00 C ATOM 1363 CD2 LEU A 88 -2.288 4.828 3.845 1.00 0.00 C ATOM 0 H LEU A 88 -4.873 3.731 3.356 1.00 0.00 H new ATOM 0 HA LEU A 88 -5.999 4.942 5.761 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -4.452 6.808 5.643 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -3.674 5.300 6.081 1.00 0.00 H new ATOM 0 HG LEU A 88 -3.507 6.507 3.316 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -1.244 7.281 4.044 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -2.529 8.026 5.023 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -1.579 6.674 5.683 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -1.518 5.052 3.107 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -1.824 4.409 4.738 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -2.990 4.106 3.428 1.00 0.00 H new ATOM 1375 N LYS A 89 -6.942 6.849 4.303 1.00 0.00 N ATOM 1376 CA LYS A 89 -7.837 7.601 3.461 1.00 0.00 C ATOM 1377 C LYS A 89 -7.541 9.057 3.618 1.00 0.00 C ATOM 1378 O LYS A 89 -7.501 9.561 4.722 1.00 0.00 O ATOM 1379 CB LYS A 89 -9.304 7.304 3.816 1.00 0.00 C ATOM 1380 CG LYS A 89 -10.325 8.069 2.976 1.00 0.00 C ATOM 1381 CD LYS A 89 -11.774 7.779 3.386 1.00 0.00 C ATOM 1382 CE LYS A 89 -12.160 6.328 3.146 1.00 0.00 C ATOM 1383 NZ LYS A 89 -13.564 6.047 3.518 1.00 0.00 N ATOM 0 H LYS A 89 -6.867 7.197 5.259 1.00 0.00 H new ATOM 0 HA LYS A 89 -7.685 7.308 2.422 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -9.484 6.235 3.700 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -9.466 7.542 4.867 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -10.134 9.138 3.067 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -10.191 7.809 1.926 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -11.906 8.018 4.441 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -12.445 8.429 2.825 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -12.010 6.085 2.094 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -11.498 5.679 3.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -13.778 5.046 3.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -13.703 6.253 4.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -14.199 6.645 2.952 1.00 0.00 H new ATOM 1397 N GLU A 90 -7.281 9.708 2.493 1.00 0.00 N ATOM 1398 CA GLU A 90 -6.921 11.131 2.412 1.00 0.00 C ATOM 1399 C GLU A 90 -5.553 11.388 3.061 1.00 0.00 C ATOM 1400 O GLU A 90 -5.175 12.528 3.314 1.00 0.00 O ATOM 1401 CB GLU A 90 -7.963 12.041 3.069 1.00 0.00 C ATOM 1402 CG GLU A 90 -9.375 11.948 2.525 1.00 0.00 C ATOM 1403 CD GLU A 90 -10.312 12.871 3.261 1.00 0.00 C ATOM 1404 OE1 GLU A 90 -10.712 12.554 4.400 1.00 0.00 O ATOM 1405 OE2 GLU A 90 -10.641 13.943 2.738 1.00 0.00 O ATOM 0 H GLU A 90 -7.314 9.254 1.580 1.00 0.00 H new ATOM 0 HA GLU A 90 -6.881 11.373 1.350 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -7.991 11.815 4.135 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -7.626 13.073 2.971 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -9.375 12.198 1.464 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -9.732 10.922 2.610 1.00 0.00 H new ATOM 1412 N GLY A 91 -4.817 10.327 3.305 1.00 0.00 N ATOM 1413 CA GLY A 91 -3.550 10.441 4.005 1.00 0.00 C ATOM 1414 C GLY A 91 -3.729 10.264 5.510 1.00 0.00 C ATOM 1415 O GLY A 91 -2.766 10.315 6.277 1.00 0.00 O ATOM 0 H GLY A 91 -5.069 9.377 3.032 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -2.856 9.690 3.629 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -3.106 11.416 3.802 1.00 0.00 H new ATOM 1419 N LYS A 92 -4.963 10.033 5.918 1.00 0.00 N ATOM 1420 CA LYS A 92 -5.309 9.818 7.311 1.00 0.00 C ATOM 1421 C LYS A 92 -5.376 8.319 7.508 1.00 0.00 C ATOM 1422 O LYS A 92 -6.051 7.634 6.743 1.00 0.00 O ATOM 1423 CB LYS A 92 -6.697 10.398 7.554 1.00 0.00 C ATOM 1424 CG LYS A 92 -6.843 11.849 7.141 1.00 0.00 C ATOM 1425 CD LYS A 92 -8.297 12.269 7.154 1.00 0.00 C ATOM 1426 CE LYS A 92 -8.455 13.695 6.681 1.00 0.00 C ATOM 1427 NZ LYS A 92 -9.873 14.084 6.582 1.00 0.00 N ATOM 0 H LYS A 92 -5.762 9.989 5.285 1.00 0.00 H new ATOM 0 HA LYS A 92 -4.589 10.282 7.985 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -7.429 9.801 7.010 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -6.936 10.307 8.613 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -6.271 12.484 7.818 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -6.428 11.991 6.143 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -8.877 11.604 6.514 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -8.698 12.170 8.163 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -7.941 14.366 7.370 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -7.977 13.810 5.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -9.940 15.088 6.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -10.342 13.505 5.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -10.339 13.934 7.499 1.00 0.00 H new ATOM 1441 N ILE A 93 -4.729 7.813 8.516 1.00 0.00 N ATOM 1442 CA ILE A 93 -4.622 6.376 8.690 1.00 0.00 C ATOM 1443 C ILE A 93 -5.911 5.769 9.224 1.00 0.00 C ATOM 1444 O ILE A 93 -6.496 6.265 10.193 1.00 0.00 O ATOM 1445 CB ILE A 93 -3.415 5.990 9.585 1.00 0.00 C ATOM 1446 CG1 ILE A 93 -2.127 6.589 8.997 1.00 0.00 C ATOM 1447 CG2 ILE A 93 -3.289 4.464 9.683 1.00 0.00 C ATOM 1448 CD1 ILE A 93 -0.882 6.304 9.806 1.00 0.00 C ATOM 0 H ILE A 93 -4.264 8.366 9.236 1.00 0.00 H new ATOM 0 HA ILE A 93 -4.447 5.956 7.699 1.00 0.00 H new ATOM 0 HB ILE A 93 -3.574 6.389 10.587 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -1.987 6.201 7.988 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -2.250 7.668 8.909 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -2.438 4.209 10.314 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -4.199 4.051 10.117 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -3.140 4.046 8.687 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -0.020 6.762 9.321 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -0.997 6.717 10.808 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -0.730 5.227 9.873 1.00 0.00 H new ATOM 1460 N LEU A 94 -6.367 4.718 8.563 1.00 0.00 N ATOM 1461 CA LEU A 94 -7.549 4.018 8.960 1.00 0.00 C ATOM 1462 C LEU A 94 -7.186 2.723 9.644 1.00 0.00 C ATOM 1463 O LEU A 94 -7.502 2.520 10.818 1.00 0.00 O ATOM 1464 CB LEU A 94 -8.438 3.728 7.754 1.00 0.00 C ATOM 1465 CG LEU A 94 -9.022 4.933 7.019 1.00 0.00 C ATOM 1466 CD1 LEU A 94 -9.879 4.465 5.866 1.00 0.00 C ATOM 1467 CD2 LEU A 94 -9.837 5.805 7.963 1.00 0.00 C ATOM 0 H LEU A 94 -5.916 4.334 7.733 1.00 0.00 H new ATOM 0 HA LEU A 94 -8.098 4.651 9.657 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -7.859 3.143 7.039 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -9.265 3.100 8.085 1.00 0.00 H new ATOM 0 HG LEU A 94 -8.199 5.534 6.632 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -10.293 5.329 5.346 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -9.271 3.882 5.174 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -10.692 3.846 6.245 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -10.241 6.656 7.415 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -10.656 5.221 8.382 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -9.198 6.164 8.770 1.00 0.00 H new ATOM 1479 N ASP A 95 -6.511 1.857 8.927 1.00 0.00 N ATOM 1480 CA ASP A 95 -6.168 0.554 9.435 1.00 0.00 C ATOM 1481 C ASP A 95 -4.978 -0.017 8.736 1.00 0.00 C ATOM 1482 O ASP A 95 -4.635 0.394 7.642 1.00 0.00 O ATOM 1483 CB ASP A 95 -7.337 -0.414 9.324 1.00 0.00 C ATOM 1484 CG ASP A 95 -7.912 -0.558 7.922 1.00 0.00 C ATOM 1485 OD1 ASP A 95 -7.478 -1.421 7.181 1.00 0.00 O ATOM 1486 OD2 ASP A 95 -8.865 0.192 7.564 1.00 0.00 O ATOM 0 H ASP A 95 -6.185 2.037 7.977 1.00 0.00 H new ATOM 0 HA ASP A 95 -5.921 0.688 10.488 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -7.013 -1.395 9.672 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -8.130 -0.084 9.995 1.00 0.00 H new ATOM 1491 N LYS A 96 -4.326 -0.930 9.386 1.00 0.00 N ATOM 1492 CA LYS A 96 -3.202 -1.605 8.801 1.00 0.00 C ATOM 1493 C LYS A 96 -3.247 -3.087 9.133 1.00 0.00 C ATOM 1494 O LYS A 96 -3.704 -3.475 10.211 1.00 0.00 O ATOM 1495 CB LYS A 96 -1.829 -0.915 9.164 1.00 0.00 C ATOM 1496 CG LYS A 96 -1.394 -0.887 10.652 1.00 0.00 C ATOM 1497 CD LYS A 96 -0.904 -2.249 11.148 1.00 0.00 C ATOM 1498 CE LYS A 96 -0.435 -2.197 12.599 1.00 0.00 C ATOM 1499 NZ LYS A 96 0.707 -1.271 12.801 1.00 0.00 N ATOM 0 H LYS A 96 -4.554 -1.230 10.334 1.00 0.00 H new ATOM 0 HA LYS A 96 -3.274 -1.519 7.717 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -1.044 -1.416 8.597 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -1.870 0.115 8.810 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -0.601 -0.151 10.781 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -2.234 -0.562 11.266 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -1.708 -2.979 11.053 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -0.085 -2.592 10.515 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -1.265 -1.887 13.234 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -0.146 -3.198 12.919 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 1.114 -1.423 13.746 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 1.433 -1.452 12.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 0.376 -0.288 12.721 1.00 0.00 H new ATOM 1513 N VAL A 97 -2.827 -3.900 8.208 1.00 0.00 N ATOM 1514 CA VAL A 97 -2.802 -5.332 8.392 1.00 0.00 C ATOM 1515 C VAL A 97 -1.366 -5.794 8.348 1.00 0.00 C ATOM 1516 O VAL A 97 -0.669 -5.566 7.358 1.00 0.00 O ATOM 1517 CB VAL A 97 -3.614 -6.068 7.280 1.00 0.00 C ATOM 1518 CG1 VAL A 97 -3.598 -7.579 7.494 1.00 0.00 C ATOM 1519 CG2 VAL A 97 -5.046 -5.555 7.225 1.00 0.00 C ATOM 0 H VAL A 97 -2.489 -3.591 7.297 1.00 0.00 H new ATOM 0 HA VAL A 97 -3.260 -5.569 9.352 1.00 0.00 H new ATOM 0 HB VAL A 97 -3.134 -5.855 6.325 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -4.172 -8.064 6.704 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -2.569 -7.939 7.469 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -4.042 -7.814 8.461 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -5.592 -6.083 6.443 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -5.531 -5.727 8.186 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -5.042 -4.487 7.007 1.00 0.00 H new ATOM 1529 N VAL A 98 -0.914 -6.402 9.412 1.00 0.00 N ATOM 1530 CA VAL A 98 0.437 -6.885 9.476 1.00 0.00 C ATOM 1531 C VAL A 98 0.482 -8.411 9.306 1.00 0.00 C ATOM 1532 O VAL A 98 -0.131 -9.177 10.087 1.00 0.00 O ATOM 1533 CB VAL A 98 1.163 -6.416 10.781 1.00 0.00 C ATOM 1534 CG1 VAL A 98 0.471 -6.912 12.047 1.00 0.00 C ATOM 1535 CG2 VAL A 98 2.630 -6.806 10.765 1.00 0.00 C ATOM 0 H VAL A 98 -1.467 -6.575 10.251 1.00 0.00 H new ATOM 0 HA VAL A 98 0.986 -6.446 8.643 1.00 0.00 H new ATOM 0 HB VAL A 98 1.103 -5.328 10.799 1.00 0.00 H new ATOM 0 HG11 VAL A 98 1.016 -6.558 12.922 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -0.550 -6.531 12.077 1.00 0.00 H new ATOM 0 HG13 VAL A 98 0.452 -8.002 12.048 1.00 0.00 H new ATOM 0 HG21 VAL A 98 3.107 -6.466 11.685 1.00 0.00 H new ATOM 0 HG22 VAL A 98 2.718 -7.890 10.690 1.00 0.00 H new ATOM 0 HG23 VAL A 98 3.121 -6.342 9.909 1.00 0.00 H new ATOM 1545 N GLY A 99 1.156 -8.839 8.274 1.00 0.00 N ATOM 1546 CA GLY A 99 1.274 -10.230 7.988 1.00 0.00 C ATOM 1547 C GLY A 99 0.364 -10.619 6.857 1.00 0.00 C ATOM 1548 O GLY A 99 -0.738 -10.065 6.723 1.00 0.00 O ATOM 0 H GLY A 99 1.636 -8.229 7.612 1.00 0.00 H new ATOM 0 HA2 GLY A 99 2.306 -10.467 7.729 1.00 0.00 H new ATOM 0 HA3 GLY A 99 1.027 -10.811 8.876 1.00 0.00 H new ATOM 1552 N ALA A 100 0.796 -11.550 6.030 1.00 0.00 N ATOM 1553 CA ALA A 100 -0.031 -11.965 4.932 1.00 0.00 C ATOM 1554 C ALA A 100 -1.091 -12.897 5.444 1.00 0.00 C ATOM 1555 O ALA A 100 -0.813 -14.040 5.835 1.00 0.00 O ATOM 1556 CB ALA A 100 0.811 -12.656 3.864 1.00 0.00 C ATOM 0 H ALA A 100 1.698 -12.021 6.100 1.00 0.00 H new ATOM 0 HA ALA A 100 -0.501 -11.091 4.480 1.00 0.00 H new ATOM 0 HB1 ALA A 100 0.170 -12.965 3.038 1.00 0.00 H new ATOM 0 HB2 ALA A 100 1.570 -11.965 3.496 1.00 0.00 H new ATOM 0 HB3 ALA A 100 1.296 -13.532 4.294 1.00 0.00 H new ATOM 1562 N LYS A 101 -2.284 -12.393 5.485 1.00 0.00 N ATOM 1563 CA LYS A 101 -3.437 -13.124 5.854 1.00 0.00 C ATOM 1564 C LYS A 101 -4.444 -12.959 4.751 1.00 0.00 C ATOM 1565 O LYS A 101 -4.959 -11.858 4.560 1.00 0.00 O ATOM 1566 CB LYS A 101 -3.979 -12.566 7.144 1.00 0.00 C ATOM 1567 CG LYS A 101 -3.024 -12.688 8.306 1.00 0.00 C ATOM 1568 CD LYS A 101 -3.587 -12.121 9.560 1.00 0.00 C ATOM 1569 CE LYS A 101 -4.775 -12.914 10.087 1.00 0.00 C ATOM 1570 NZ LYS A 101 -5.363 -12.309 11.310 1.00 0.00 N ATOM 0 H LYS A 101 -2.481 -11.420 5.251 1.00 0.00 H new ATOM 0 HA LYS A 101 -3.210 -14.180 6.001 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -4.228 -11.515 6.999 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -4.907 -13.082 7.392 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -2.778 -13.738 8.463 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -2.093 -12.175 8.064 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -2.808 -12.093 10.322 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -3.895 -11.091 9.381 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -5.539 -12.976 9.312 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -4.459 -13.934 10.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -5.806 -13.053 11.887 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -4.614 -11.843 11.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -6.081 -11.607 11.039 1.00 0.00 H new ATOM 1584 N LYS A 102 -4.730 -14.008 4.020 1.00 0.00 N ATOM 1585 CA LYS A 102 -5.591 -13.895 2.876 1.00 0.00 C ATOM 1586 C LYS A 102 -7.043 -13.589 3.277 1.00 0.00 C ATOM 1587 O LYS A 102 -7.633 -12.619 2.786 1.00 0.00 O ATOM 1588 CB LYS A 102 -5.486 -15.154 2.020 1.00 0.00 C ATOM 1589 CG LYS A 102 -6.269 -15.084 0.733 1.00 0.00 C ATOM 1590 CD LYS A 102 -6.071 -16.329 -0.136 1.00 0.00 C ATOM 1591 CE LYS A 102 -6.529 -17.606 0.563 1.00 0.00 C ATOM 1592 NZ LYS A 102 -6.372 -18.792 -0.301 1.00 0.00 N ATOM 0 H LYS A 102 -4.378 -14.948 4.199 1.00 0.00 H new ATOM 0 HA LYS A 102 -5.258 -13.047 2.278 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -4.437 -15.336 1.786 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -5.836 -16.007 2.601 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -7.329 -14.967 0.961 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -5.964 -14.200 0.173 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -6.624 -16.210 -1.068 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -5.017 -16.421 -0.400 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -5.954 -17.745 1.479 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -7.574 -17.505 0.855 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -6.694 -19.639 0.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -6.940 -18.671 -1.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -5.371 -18.903 -0.559 1.00 0.00 H new ATOM 1606 N ASP A 103 -7.588 -14.374 4.200 1.00 0.00 N ATOM 1607 CA ASP A 103 -8.978 -14.186 4.672 1.00 0.00 C ATOM 1608 C ASP A 103 -9.152 -12.847 5.367 1.00 0.00 C ATOM 1609 O ASP A 103 -10.148 -12.146 5.158 1.00 0.00 O ATOM 1610 CB ASP A 103 -9.410 -15.327 5.606 1.00 0.00 C ATOM 1611 CG ASP A 103 -10.804 -15.128 6.173 1.00 0.00 C ATOM 1612 OD1 ASP A 103 -11.800 -15.426 5.467 1.00 0.00 O ATOM 1613 OD2 ASP A 103 -10.929 -14.661 7.321 1.00 0.00 O ATOM 0 H ASP A 103 -7.098 -15.151 4.644 1.00 0.00 H new ATOM 0 HA ASP A 103 -9.619 -14.200 3.791 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -9.376 -16.270 5.060 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -8.697 -15.408 6.427 1.00 0.00 H new ATOM 1618 N GLU A 104 -8.177 -12.494 6.174 1.00 0.00 N ATOM 1619 CA GLU A 104 -8.176 -11.225 6.900 1.00 0.00 C ATOM 1620 C GLU A 104 -8.178 -10.073 5.927 1.00 0.00 C ATOM 1621 O GLU A 104 -8.924 -9.115 6.095 1.00 0.00 O ATOM 1622 CB GLU A 104 -6.936 -11.138 7.759 1.00 0.00 C ATOM 1623 CG GLU A 104 -6.813 -9.900 8.620 1.00 0.00 C ATOM 1624 CD GLU A 104 -7.754 -9.917 9.777 1.00 0.00 C ATOM 1625 OE1 GLU A 104 -8.923 -9.522 9.627 1.00 0.00 O ATOM 1626 OE2 GLU A 104 -7.322 -10.333 10.874 1.00 0.00 O ATOM 0 H GLU A 104 -7.357 -13.074 6.352 1.00 0.00 H new ATOM 0 HA GLU A 104 -9.068 -11.174 7.525 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -6.905 -12.013 8.408 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -6.063 -11.193 7.109 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -5.790 -9.817 8.988 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -7.006 -9.017 8.011 1.00 0.00 H new ATOM 1633 N LEU A 105 -7.348 -10.179 4.903 1.00 0.00 N ATOM 1634 CA LEU A 105 -7.250 -9.151 3.898 1.00 0.00 C ATOM 1635 C LEU A 105 -8.590 -8.960 3.255 1.00 0.00 C ATOM 1636 O LEU A 105 -9.048 -7.850 3.095 1.00 0.00 O ATOM 1637 CB LEU A 105 -6.250 -9.542 2.837 1.00 0.00 C ATOM 1638 CG LEU A 105 -5.916 -8.461 1.804 1.00 0.00 C ATOM 1639 CD1 LEU A 105 -5.317 -7.229 2.474 1.00 0.00 C ATOM 1640 CD2 LEU A 105 -4.973 -9.002 0.754 1.00 0.00 C ATOM 0 H LEU A 105 -6.730 -10.976 4.751 1.00 0.00 H new ATOM 0 HA LEU A 105 -6.922 -8.227 4.373 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -5.326 -9.845 3.330 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -6.632 -10.416 2.310 1.00 0.00 H new ATOM 0 HG LEU A 105 -6.845 -8.164 1.317 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -5.089 -6.478 1.718 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -6.031 -6.820 3.188 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -4.401 -7.508 2.996 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -4.748 -8.219 0.029 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -4.050 -9.333 1.230 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -5.441 -9.845 0.244 1.00 0.00 H new ATOM 1652 N GLN A 106 -9.218 -10.068 2.915 1.00 0.00 N ATOM 1653 CA GLN A 106 -10.554 -10.044 2.296 1.00 0.00 C ATOM 1654 C GLN A 106 -11.561 -9.359 3.216 1.00 0.00 C ATOM 1655 O GLN A 106 -12.460 -8.640 2.748 1.00 0.00 O ATOM 1656 CB GLN A 106 -11.063 -11.454 1.943 1.00 0.00 C ATOM 1657 CG GLN A 106 -10.136 -12.280 1.063 1.00 0.00 C ATOM 1658 CD GLN A 106 -9.745 -11.591 -0.221 1.00 0.00 C ATOM 1659 OE1 GLN A 106 -10.412 -11.714 -1.248 1.00 0.00 O ATOM 1660 NE2 GLN A 106 -8.644 -10.896 -0.190 1.00 0.00 N ATOM 0 H GLN A 106 -8.835 -11.003 3.052 1.00 0.00 H new ATOM 0 HA GLN A 106 -10.457 -9.480 1.369 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -11.240 -12.001 2.869 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -12.025 -11.359 1.440 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -9.234 -12.520 1.626 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -10.623 -13.225 0.824 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -8.116 -10.815 0.679 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -8.310 -10.432 -1.035 1.00 0.00 H new ATOM 1669 N SER A 107 -11.396 -9.554 4.517 1.00 0.00 N ATOM 1670 CA SER A 107 -12.281 -8.952 5.478 1.00 0.00 C ATOM 1671 C SER A 107 -12.055 -7.438 5.497 1.00 0.00 C ATOM 1672 O SER A 107 -13.011 -6.651 5.472 1.00 0.00 O ATOM 1673 CB SER A 107 -12.058 -9.575 6.861 1.00 0.00 C ATOM 1674 OG SER A 107 -12.963 -9.066 7.817 1.00 0.00 O ATOM 0 H SER A 107 -10.655 -10.126 4.921 1.00 0.00 H new ATOM 0 HA SER A 107 -13.317 -9.139 5.197 1.00 0.00 H new ATOM 0 HB2 SER A 107 -12.170 -10.657 6.795 1.00 0.00 H new ATOM 0 HB3 SER A 107 -11.036 -9.380 7.187 1.00 0.00 H new ATOM 0 HG SER A 107 -12.792 -9.487 8.686 1.00 0.00 H new ATOM 1680 N THR A 108 -10.793 -7.045 5.504 1.00 0.00 N ATOM 1681 CA THR A 108 -10.397 -5.651 5.462 1.00 0.00 C ATOM 1682 C THR A 108 -10.852 -5.002 4.145 1.00 0.00 C ATOM 1683 O THR A 108 -11.269 -3.839 4.127 1.00 0.00 O ATOM 1684 CB THR A 108 -8.869 -5.538 5.625 1.00 0.00 C ATOM 1685 OG1 THR A 108 -8.485 -6.187 6.851 1.00 0.00 O ATOM 1686 CG2 THR A 108 -8.423 -4.090 5.676 1.00 0.00 C ATOM 0 H THR A 108 -10.007 -7.694 5.539 1.00 0.00 H new ATOM 0 HA THR A 108 -10.878 -5.121 6.284 1.00 0.00 H new ATOM 0 HB THR A 108 -8.395 -6.013 4.766 1.00 0.00 H new ATOM 0 HG1 THR A 108 -8.550 -7.159 6.741 1.00 0.00 H new ATOM 0 HG21 THR A 108 -7.340 -4.047 5.791 1.00 0.00 H new ATOM 0 HG22 THR A 108 -8.710 -3.588 4.752 1.00 0.00 H new ATOM 0 HG23 THR A 108 -8.898 -3.592 6.521 1.00 0.00 H new ATOM 1694 N ILE A 109 -10.801 -5.759 3.052 1.00 0.00 N ATOM 1695 CA ILE A 109 -11.270 -5.251 1.785 1.00 0.00 C ATOM 1696 C ILE A 109 -12.758 -4.962 1.865 1.00 0.00 C ATOM 1697 O ILE A 109 -13.197 -3.922 1.438 1.00 0.00 O ATOM 1698 CB ILE A 109 -10.971 -6.201 0.598 1.00 0.00 C ATOM 1699 CG1 ILE A 109 -9.460 -6.400 0.455 1.00 0.00 C ATOM 1700 CG2 ILE A 109 -11.550 -5.620 -0.692 1.00 0.00 C ATOM 1701 CD1 ILE A 109 -9.067 -7.351 -0.648 1.00 0.00 C ATOM 0 H ILE A 109 -10.443 -6.714 3.026 1.00 0.00 H new ATOM 0 HA ILE A 109 -10.720 -4.330 1.590 1.00 0.00 H new ATOM 0 HB ILE A 109 -11.436 -7.168 0.790 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -8.993 -5.433 0.270 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -9.062 -6.771 1.399 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -11.336 -6.293 -1.522 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -12.629 -5.505 -0.587 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -11.099 -4.647 -0.888 1.00 0.00 H new ATOM 0 HD11 ILE A 109 -7.981 -7.438 -0.684 1.00 0.00 H new ATOM 0 HD12 ILE A 109 -9.503 -8.331 -0.456 1.00 0.00 H new ATOM 0 HD13 ILE A 109 -9.433 -6.972 -1.602 1.00 0.00 H new ATOM 1713 N ALA A 110 -13.513 -5.869 2.474 1.00 0.00 N ATOM 1714 CA ALA A 110 -14.956 -5.680 2.632 1.00 0.00 C ATOM 1715 C ALA A 110 -15.253 -4.469 3.514 1.00 0.00 C ATOM 1716 O ALA A 110 -16.219 -3.744 3.291 1.00 0.00 O ATOM 1717 CB ALA A 110 -15.604 -6.930 3.187 1.00 0.00 C ATOM 0 H ALA A 110 -13.155 -6.740 2.866 1.00 0.00 H new ATOM 0 HA ALA A 110 -15.383 -5.489 1.648 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -16.676 -6.766 3.296 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -15.431 -7.763 2.505 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -15.172 -7.163 4.160 1.00 0.00 H new ATOM 1723 N LYS A 111 -14.396 -4.239 4.494 1.00 0.00 N ATOM 1724 CA LYS A 111 -14.478 -3.130 5.356 1.00 0.00 C ATOM 1725 C LYS A 111 -14.305 -1.809 4.589 1.00 0.00 C ATOM 1726 O LYS A 111 -14.924 -0.795 4.918 1.00 0.00 O ATOM 1727 CB LYS A 111 -13.417 -3.306 6.404 1.00 0.00 C ATOM 1728 CG LYS A 111 -13.753 -4.300 7.500 1.00 0.00 C ATOM 1729 CD LYS A 111 -12.626 -4.428 8.516 1.00 0.00 C ATOM 1730 CE LYS A 111 -12.996 -5.368 9.657 1.00 0.00 C ATOM 1731 NZ LYS A 111 -13.296 -6.740 9.200 1.00 0.00 N ATOM 0 H LYS A 111 -13.608 -4.854 4.697 1.00 0.00 H new ATOM 0 HA LYS A 111 -15.463 -3.078 5.820 1.00 0.00 H new ATOM 0 HB2 LYS A 111 -12.496 -3.624 5.916 1.00 0.00 H new ATOM 0 HB3 LYS A 111 -13.217 -2.338 6.862 1.00 0.00 H new ATOM 0 HG2 LYS A 111 -14.665 -3.986 8.007 1.00 0.00 H new ATOM 0 HG3 LYS A 111 -13.954 -5.275 7.056 1.00 0.00 H new ATOM 0 HD2 LYS A 111 -11.728 -4.796 8.019 1.00 0.00 H new ATOM 0 HD3 LYS A 111 -12.387 -3.444 8.919 1.00 0.00 H new ATOM 0 HE2 LYS A 111 -12.176 -5.401 10.374 1.00 0.00 H new ATOM 0 HE3 LYS A 111 -13.863 -4.968 10.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 -13.240 -7.394 10.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 -14.254 -6.770 8.796 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 -12.605 -7.023 8.476 1.00 0.00 H new ATOM 1745 N HIS A 112 -13.487 -1.844 3.556 1.00 0.00 N ATOM 1746 CA HIS A 112 -13.236 -0.696 2.716 1.00 0.00 C ATOM 1747 C HIS A 112 -14.194 -0.620 1.523 1.00 0.00 C ATOM 1748 O HIS A 112 -14.421 0.457 0.980 1.00 0.00 O ATOM 1749 CB HIS A 112 -11.789 -0.703 2.216 1.00 0.00 C ATOM 1750 CG HIS A 112 -10.762 -0.292 3.231 1.00 0.00 C ATOM 1751 ND1 HIS A 112 -10.136 0.923 3.191 1.00 0.00 N ATOM 1752 CD2 HIS A 112 -10.252 -0.934 4.306 1.00 0.00 C ATOM 1753 CE1 HIS A 112 -9.300 1.028 4.191 1.00 0.00 C ATOM 1754 NE2 HIS A 112 -9.344 -0.086 4.888 1.00 0.00 N ATOM 0 H HIS A 112 -12.974 -2.680 3.276 1.00 0.00 H new ATOM 0 HA HIS A 112 -13.408 0.186 3.332 1.00 0.00 H new ATOM 0 HB2 HIS A 112 -11.548 -1.706 1.864 1.00 0.00 H new ATOM 0 HB3 HIS A 112 -11.715 -0.037 1.357 1.00 0.00 H new ATOM 0 HD2 HIS A 112 -10.511 -1.927 4.643 1.00 0.00 H new ATOM 0 HE1 HIS A 112 -8.679 1.884 4.408 1.00 0.00 H new ATOM 0 HE2 HIS A 112 -8.794 -0.287 5.723 1.00 0.00 H new ATOM 1763 N LEU A 113 -14.746 -1.752 1.120 1.00 0.00 N ATOM 1764 CA LEU A 113 -15.599 -1.835 -0.016 1.00 0.00 C ATOM 1765 C LEU A 113 -16.920 -1.112 0.244 1.00 0.00 C ATOM 1766 O LEU A 113 -17.719 -1.529 1.099 1.00 0.00 O ATOM 1767 CB LEU A 113 -15.812 -3.309 -0.310 1.00 0.00 C ATOM 1768 CG LEU A 113 -16.378 -3.732 -1.669 1.00 0.00 C ATOM 1769 CD1 LEU A 113 -17.814 -3.275 -1.902 1.00 0.00 C ATOM 1770 CD2 LEU A 113 -15.469 -3.291 -2.807 1.00 0.00 C ATOM 0 H LEU A 113 -14.601 -2.645 1.592 1.00 0.00 H new ATOM 0 HA LEU A 113 -15.148 -1.345 -0.879 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -14.851 -3.809 -0.186 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -16.478 -3.703 0.458 1.00 0.00 H new ATOM 0 HG LEU A 113 -16.410 -4.821 -1.652 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -18.148 -3.610 -2.884 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -18.460 -3.700 -1.134 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -17.862 -2.187 -1.855 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -15.898 -3.606 -3.758 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -15.371 -2.205 -2.795 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -14.486 -3.745 -2.684 1.00 0.00 H new ATOM 1782 N ALA A 114 -17.120 -0.034 -0.473 1.00 0.00 N ATOM 1783 CA ALA A 114 -18.324 0.739 -0.410 1.00 0.00 C ATOM 1784 C ALA A 114 -18.565 1.356 -1.776 1.00 0.00 C ATOM 1785 O ALA A 114 -19.208 0.701 -2.632 1.00 0.00 O ATOM 1786 CB ALA A 114 -18.215 1.822 0.668 1.00 0.00 C ATOM 1787 OXT ALA A 114 -18.070 2.466 -2.027 1.00 0.00 O ATOM 0 H ALA A 114 -16.432 0.334 -1.130 1.00 0.00 H new ATOM 0 HA ALA A 114 -19.164 0.099 -0.142 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -19.140 2.398 0.700 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -18.045 1.354 1.638 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -17.382 2.485 0.434 1.00 0.00 H new TER 1793 ALA A 114