USER MOD reduce.3.24.130724 H: found=0, std=0, add=763, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 760 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ -126:sc= 0.106 (180deg=0) USER MOD Single : A 2 SER OG : rot 42:sc= 0.0848 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot -140:sc= -0.913 USER MOD Single : A 16 THR OG1 : rot 180:sc= -0.265 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 180:sc= -0.0274 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.012) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= -0.247 K(o=-0.25,f=-3.3!) USER MOD Single : A 28 GLN : amide:sc= -6.33! C(o=-6.3!,f=-20!) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot -92:sc= -0.185 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 SER OG : rot -103:sc= -0.166 USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 ASN : amide:sc= -0.158 K(o=-0.16,f=-2.1!) USER MOD Single : A 57 MET CE :methyl 143:sc= -0.583 (180deg=-2.5!) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 ASN : amide:sc= -0.421 K(o=-0.42,f=-1.2) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 GLN :FLIP amide:sc= -0.834! F(o=-1.5,f=-0.83!) USER MOD Single : A 73 ASN : amide:sc= -3.24! C(o=-3.2!,f=-3.6!) USER MOD Single : A 75 ASN : amide:sc= -0.019 X(o=-0.019,f=-0.47) USER MOD Single : A 76 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 CYS SG : rot 64:sc= -3.12! USER MOD Single : A 81 TYR OH : rot 133:sc= 1.02 USER MOD Single : A 90 GLN : amide:sc= -0.415 X(o=-0.42,f=-0.86) USER MOD Single : A 92 THR OG1 : rot 180:sc=-0.00252 USER MOD Single : A 94 GLN : amide:sc= -0.0754 K(o=-0.075,f=-1.5) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 9.714 -1.619 -29.084 1.00 0.00 N ATOM 2 CA GLY A 1 9.474 -2.212 -27.779 1.00 0.00 C ATOM 3 C GLY A 1 10.790 -2.461 -27.039 1.00 0.00 C ATOM 4 O GLY A 1 11.834 -1.942 -27.431 1.00 0.00 O ATOM 0 H1 GLY A 1 9.160 -0.743 -29.174 1.00 0.00 H new ATOM 0 H2 GLY A 1 10.726 -1.401 -29.186 1.00 0.00 H new ATOM 0 H3 GLY A 1 9.428 -2.288 -29.827 1.00 0.00 H new ATOM 0 HA2 GLY A 1 8.839 -1.553 -27.187 1.00 0.00 H new ATOM 0 HA3 GLY A 1 8.935 -3.152 -27.896 1.00 0.00 H new ATOM 8 N SER A 2 10.696 -3.254 -25.982 1.00 0.00 N ATOM 9 CA SER A 2 11.866 -3.577 -25.183 1.00 0.00 C ATOM 10 C SER A 2 11.590 -4.815 -24.328 1.00 0.00 C ATOM 11 O SER A 2 10.692 -4.805 -23.487 1.00 0.00 O ATOM 12 CB SER A 2 12.271 -2.398 -24.296 1.00 0.00 C ATOM 13 OG SER A 2 11.157 -1.850 -23.596 1.00 0.00 O ATOM 0 H SER A 2 9.828 -3.682 -25.660 1.00 0.00 H new ATOM 0 HA SER A 2 12.694 -3.788 -25.860 1.00 0.00 H new ATOM 0 HB2 SER A 2 13.024 -2.725 -23.579 1.00 0.00 H new ATOM 0 HB3 SER A 2 12.730 -1.623 -24.910 1.00 0.00 H new ATOM 0 HG SER A 2 10.591 -2.577 -23.262 1.00 0.00 H new ATOM 19 N GLU A 3 12.379 -5.851 -24.571 1.00 0.00 N ATOM 20 CA GLU A 3 12.230 -7.094 -23.833 1.00 0.00 C ATOM 21 C GLU A 3 13.604 -7.682 -23.502 1.00 0.00 C ATOM 22 O GLU A 3 14.573 -7.449 -24.223 1.00 0.00 O ATOM 23 CB GLU A 3 11.378 -8.097 -24.613 1.00 0.00 C ATOM 24 CG GLU A 3 12.087 -8.538 -25.895 1.00 0.00 C ATOM 25 CD GLU A 3 11.956 -10.049 -26.102 1.00 0.00 C ATOM 26 OE1 GLU A 3 10.873 -10.466 -26.567 1.00 0.00 O ATOM 27 OE2 GLU A 3 12.941 -10.752 -25.791 1.00 0.00 O ATOM 0 H GLU A 3 13.123 -5.855 -25.268 1.00 0.00 H new ATOM 0 HA GLU A 3 11.713 -6.879 -22.898 1.00 0.00 H new ATOM 0 HB2 GLU A 3 11.172 -8.967 -23.989 1.00 0.00 H new ATOM 0 HB3 GLU A 3 10.416 -7.648 -24.861 1.00 0.00 H new ATOM 0 HG2 GLU A 3 11.661 -8.012 -26.750 1.00 0.00 H new ATOM 0 HG3 GLU A 3 13.141 -8.264 -25.845 1.00 0.00 H new ATOM 34 N GLY A 4 13.643 -8.434 -22.411 1.00 0.00 N ATOM 35 CA GLY A 4 14.881 -9.057 -21.976 1.00 0.00 C ATOM 36 C GLY A 4 14.628 -10.039 -20.830 1.00 0.00 C ATOM 37 O GLY A 4 14.145 -11.148 -21.054 1.00 0.00 O ATOM 0 H GLY A 4 12.837 -8.625 -21.816 1.00 0.00 H new ATOM 0 HA2 GLY A 4 15.342 -9.581 -22.813 1.00 0.00 H new ATOM 0 HA3 GLY A 4 15.585 -8.290 -21.653 1.00 0.00 H new ATOM 41 N ALA A 5 14.964 -9.596 -19.628 1.00 0.00 N ATOM 42 CA ALA A 5 14.779 -10.421 -18.447 1.00 0.00 C ATOM 43 C ALA A 5 13.871 -9.691 -17.456 1.00 0.00 C ATOM 44 O ALA A 5 13.479 -8.549 -17.693 1.00 0.00 O ATOM 45 CB ALA A 5 16.143 -10.764 -17.845 1.00 0.00 C ATOM 0 H ALA A 5 15.364 -8.675 -19.446 1.00 0.00 H new ATOM 0 HA ALA A 5 14.292 -11.361 -18.708 1.00 0.00 H new ATOM 0 HB1 ALA A 5 16.004 -11.383 -16.959 1.00 0.00 H new ATOM 0 HB2 ALA A 5 16.738 -11.308 -18.578 1.00 0.00 H new ATOM 0 HB3 ALA A 5 16.660 -9.845 -17.568 1.00 0.00 H new ATOM 51 N ALA A 6 13.563 -10.378 -16.366 1.00 0.00 N ATOM 52 CA ALA A 6 12.709 -9.809 -15.338 1.00 0.00 C ATOM 53 C ALA A 6 13.524 -9.602 -14.060 1.00 0.00 C ATOM 54 O ALA A 6 14.639 -10.107 -13.943 1.00 0.00 O ATOM 55 CB ALA A 6 11.499 -10.719 -15.117 1.00 0.00 C ATOM 0 H ALA A 6 13.890 -11.325 -16.172 1.00 0.00 H new ATOM 0 HA ALA A 6 12.332 -8.835 -15.649 1.00 0.00 H new ATOM 0 HB1 ALA A 6 10.858 -10.292 -14.346 1.00 0.00 H new ATOM 0 HB2 ALA A 6 10.937 -10.809 -16.047 1.00 0.00 H new ATOM 0 HB3 ALA A 6 11.838 -11.705 -14.801 1.00 0.00 H new ATOM 61 N THR A 7 12.936 -8.859 -13.135 1.00 0.00 N ATOM 62 CA THR A 7 13.593 -8.579 -11.870 1.00 0.00 C ATOM 63 C THR A 7 12.686 -8.965 -10.700 1.00 0.00 C ATOM 64 O THR A 7 11.463 -8.941 -10.824 1.00 0.00 O ATOM 65 CB THR A 7 13.998 -7.104 -11.863 1.00 0.00 C ATOM 66 OG1 THR A 7 12.759 -6.404 -11.800 1.00 0.00 O ATOM 67 CG2 THR A 7 14.610 -6.659 -13.193 1.00 0.00 C ATOM 0 H THR A 7 12.011 -8.442 -13.236 1.00 0.00 H new ATOM 0 HA THR A 7 14.495 -9.179 -11.753 1.00 0.00 H new ATOM 0 HB THR A 7 14.711 -6.927 -11.058 1.00 0.00 H new ATOM 0 HG1 THR A 7 12.929 -5.439 -11.790 1.00 0.00 H new ATOM 0 HG21 THR A 7 14.880 -5.605 -13.135 1.00 0.00 H new ATOM 0 HG22 THR A 7 15.502 -7.251 -13.399 1.00 0.00 H new ATOM 0 HG23 THR A 7 13.885 -6.804 -13.994 1.00 0.00 H new ATOM 75 N MET A 8 13.321 -9.313 -9.590 1.00 0.00 N ATOM 76 CA MET A 8 12.586 -9.704 -8.399 1.00 0.00 C ATOM 77 C MET A 8 12.529 -8.556 -7.389 1.00 0.00 C ATOM 78 O MET A 8 13.552 -8.165 -6.830 1.00 0.00 O ATOM 79 CB MET A 8 13.263 -10.916 -7.757 1.00 0.00 C ATOM 80 CG MET A 8 12.233 -11.983 -7.380 1.00 0.00 C ATOM 81 SD MET A 8 13.043 -13.554 -7.134 1.00 0.00 S ATOM 82 CE MET A 8 11.934 -14.620 -8.040 1.00 0.00 C ATOM 0 H MET A 8 14.336 -9.332 -9.491 1.00 0.00 H new ATOM 0 HA MET A 8 11.567 -9.958 -8.690 1.00 0.00 H new ATOM 0 HB2 MET A 8 13.993 -11.338 -8.448 1.00 0.00 H new ATOM 0 HB3 MET A 8 13.810 -10.603 -6.868 1.00 0.00 H new ATOM 0 HG2 MET A 8 11.709 -11.689 -6.471 1.00 0.00 H new ATOM 0 HG3 MET A 8 11.483 -12.070 -8.166 1.00 0.00 H new ATOM 0 HE1 MET A 8 12.294 -15.648 -7.989 1.00 0.00 H new ATOM 0 HE2 MET A 8 10.937 -14.563 -7.604 1.00 0.00 H new ATOM 0 HE3 MET A 8 11.893 -14.301 -9.082 1.00 0.00 H new ATOM 92 N SER A 9 11.322 -8.048 -7.185 1.00 0.00 N ATOM 93 CA SER A 9 11.118 -6.953 -6.252 1.00 0.00 C ATOM 94 C SER A 9 10.078 -7.348 -5.202 1.00 0.00 C ATOM 95 O SER A 9 9.056 -7.947 -5.530 1.00 0.00 O ATOM 96 CB SER A 9 10.679 -5.682 -6.982 1.00 0.00 C ATOM 97 OG SER A 9 9.452 -5.866 -7.683 1.00 0.00 O ATOM 0 H SER A 9 10.475 -8.375 -7.650 1.00 0.00 H new ATOM 0 HA SER A 9 12.066 -6.745 -5.756 1.00 0.00 H new ATOM 0 HB2 SER A 9 10.567 -4.871 -6.263 1.00 0.00 H new ATOM 0 HB3 SER A 9 11.456 -5.380 -7.684 1.00 0.00 H new ATOM 0 HG SER A 9 9.205 -5.032 -8.134 1.00 0.00 H new ATOM 103 N GLY A 10 10.376 -6.996 -3.960 1.00 0.00 N ATOM 104 CA GLY A 10 9.479 -7.305 -2.859 1.00 0.00 C ATOM 105 C GLY A 10 8.600 -6.102 -2.512 1.00 0.00 C ATOM 106 O GLY A 10 8.853 -5.407 -1.529 1.00 0.00 O ATOM 0 H GLY A 10 11.226 -6.500 -3.692 1.00 0.00 H new ATOM 0 HA2 GLY A 10 8.850 -8.154 -3.125 1.00 0.00 H new ATOM 0 HA3 GLY A 10 10.059 -7.600 -1.985 1.00 0.00 H new ATOM 110 N LEU A 11 7.586 -5.893 -3.339 1.00 0.00 N ATOM 111 CA LEU A 11 6.668 -4.785 -3.132 1.00 0.00 C ATOM 112 C LEU A 11 5.743 -5.108 -1.958 1.00 0.00 C ATOM 113 O LEU A 11 5.209 -6.213 -1.869 1.00 0.00 O ATOM 114 CB LEU A 11 5.925 -4.457 -4.429 1.00 0.00 C ATOM 115 CG LEU A 11 5.969 -2.994 -4.875 1.00 0.00 C ATOM 116 CD1 LEU A 11 5.064 -2.126 -3.998 1.00 0.00 C ATOM 117 CD2 LEU A 11 7.407 -2.473 -4.905 1.00 0.00 C ATOM 0 H LEU A 11 7.380 -6.472 -4.153 1.00 0.00 H new ATOM 0 HA LEU A 11 7.215 -3.880 -2.867 1.00 0.00 H new ATOM 0 HB2 LEU A 11 6.340 -5.072 -5.228 1.00 0.00 H new ATOM 0 HB3 LEU A 11 4.882 -4.749 -4.311 1.00 0.00 H new ATOM 0 HG LEU A 11 5.584 -2.936 -5.893 1.00 0.00 H new ATOM 0 HD11 LEU A 11 5.114 -1.091 -4.336 1.00 0.00 H new ATOM 0 HD12 LEU A 11 4.037 -2.483 -4.071 1.00 0.00 H new ATOM 0 HD13 LEU A 11 5.396 -2.185 -2.962 1.00 0.00 H new ATOM 0 HD21 LEU A 11 7.410 -1.431 -5.225 1.00 0.00 H new ATOM 0 HD22 LEU A 11 7.842 -2.547 -3.908 1.00 0.00 H new ATOM 0 HD23 LEU A 11 7.995 -3.069 -5.603 1.00 0.00 H new ATOM 129 N ARG A 12 5.581 -4.124 -1.085 1.00 0.00 N ATOM 130 CA ARG A 12 4.730 -4.290 0.080 1.00 0.00 C ATOM 131 C ARG A 12 3.842 -3.058 0.269 1.00 0.00 C ATOM 132 O ARG A 12 4.338 -1.932 0.311 1.00 0.00 O ATOM 133 CB ARG A 12 5.563 -4.508 1.345 1.00 0.00 C ATOM 134 CG ARG A 12 6.432 -5.761 1.220 1.00 0.00 C ATOM 135 CD ARG A 12 6.619 -6.437 2.580 1.00 0.00 C ATOM 136 NE ARG A 12 8.056 -6.689 2.826 1.00 0.00 N ATOM 137 CZ ARG A 12 8.592 -6.855 4.043 1.00 0.00 C ATOM 138 NH1 ARG A 12 7.813 -6.795 5.132 1.00 0.00 N ATOM 139 NH2 ARG A 12 9.907 -7.079 4.171 1.00 0.00 N ATOM 0 H ARG A 12 6.025 -3.209 -1.162 1.00 0.00 H new ATOM 0 HA ARG A 12 4.108 -5.169 -0.087 1.00 0.00 H new ATOM 0 HB2 ARG A 12 6.196 -3.638 1.522 1.00 0.00 H new ATOM 0 HB3 ARG A 12 4.903 -4.603 2.207 1.00 0.00 H new ATOM 0 HG2 ARG A 12 5.970 -6.460 0.523 1.00 0.00 H new ATOM 0 HG3 ARG A 12 7.404 -5.494 0.806 1.00 0.00 H new ATOM 0 HD2 ARG A 12 6.212 -5.804 3.369 1.00 0.00 H new ATOM 0 HD3 ARG A 12 6.067 -7.376 2.608 1.00 0.00 H new ATOM 0 HE ARG A 12 8.678 -6.740 2.019 1.00 0.00 H new ATOM 0 HH11 ARG A 12 6.812 -6.623 5.034 1.00 0.00 H new ATOM 0 HH12 ARG A 12 8.221 -6.921 6.058 1.00 0.00 H new ATOM 0 HH21 ARG A 12 10.500 -7.123 3.342 1.00 0.00 H new ATOM 0 HH22 ARG A 12 10.315 -7.205 5.097 1.00 0.00 H new ATOM 153 N VAL A 13 2.547 -3.312 0.377 1.00 0.00 N ATOM 154 CA VAL A 13 1.586 -2.237 0.559 1.00 0.00 C ATOM 155 C VAL A 13 1.052 -2.275 1.993 1.00 0.00 C ATOM 156 O VAL A 13 0.155 -3.057 2.304 1.00 0.00 O ATOM 157 CB VAL A 13 0.480 -2.339 -0.493 1.00 0.00 C ATOM 158 CG1 VAL A 13 -0.741 -1.512 -0.087 1.00 0.00 C ATOM 159 CG2 VAL A 13 0.995 -1.917 -1.871 1.00 0.00 C ATOM 0 H VAL A 13 2.140 -4.247 0.342 1.00 0.00 H new ATOM 0 HA VAL A 13 2.065 -1.268 0.415 1.00 0.00 H new ATOM 0 HB VAL A 13 0.171 -3.383 -0.555 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -1.512 -1.602 -0.852 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -1.129 -1.878 0.864 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -0.454 -0.466 0.017 1.00 0.00 H new ATOM 0 HG21 VAL A 13 0.190 -1.999 -2.601 1.00 0.00 H new ATOM 0 HG22 VAL A 13 1.343 -0.885 -1.829 1.00 0.00 H new ATOM 0 HG23 VAL A 13 1.819 -2.566 -2.166 1.00 0.00 H new ATOM 169 N TYR A 14 1.625 -1.420 2.827 1.00 0.00 N ATOM 170 CA TYR A 14 1.218 -1.346 4.220 1.00 0.00 C ATOM 171 C TYR A 14 -0.158 -0.691 4.354 1.00 0.00 C ATOM 172 O TYR A 14 -0.275 0.532 4.298 1.00 0.00 O ATOM 173 CB TYR A 14 2.259 -0.467 4.917 1.00 0.00 C ATOM 174 CG TYR A 14 3.577 -1.183 5.217 1.00 0.00 C ATOM 175 CD1 TYR A 14 4.402 -1.573 4.181 1.00 0.00 C ATOM 176 CD2 TYR A 14 3.942 -1.438 6.523 1.00 0.00 C ATOM 177 CE1 TYR A 14 5.643 -2.247 4.463 1.00 0.00 C ATOM 178 CE2 TYR A 14 5.183 -2.112 6.805 1.00 0.00 C ATOM 179 CZ TYR A 14 5.972 -2.483 5.761 1.00 0.00 C ATOM 180 OH TYR A 14 7.144 -3.119 6.028 1.00 0.00 O ATOM 0 H TYR A 14 2.368 -0.772 2.565 1.00 0.00 H new ATOM 0 HA TYR A 14 1.154 -2.343 4.656 1.00 0.00 H new ATOM 0 HB2 TYR A 14 2.464 0.402 4.291 1.00 0.00 H new ATOM 0 HB3 TYR A 14 1.839 -0.095 5.851 1.00 0.00 H new ATOM 0 HD1 TYR A 14 4.117 -1.373 3.159 1.00 0.00 H new ATOM 0 HD2 TYR A 14 3.297 -1.132 7.334 1.00 0.00 H new ATOM 0 HE1 TYR A 14 6.297 -2.558 3.662 1.00 0.00 H new ATOM 0 HE2 TYR A 14 5.481 -2.318 7.823 1.00 0.00 H new ATOM 0 HH TYR A 14 7.249 -3.219 6.997 1.00 0.00 H new ATOM 190 N SER A 15 -1.165 -1.534 4.530 1.00 0.00 N ATOM 191 CA SER A 15 -2.528 -1.052 4.673 1.00 0.00 C ATOM 192 C SER A 15 -3.124 -1.552 5.990 1.00 0.00 C ATOM 193 O SER A 15 -2.557 -2.430 6.639 1.00 0.00 O ATOM 194 CB SER A 15 -3.396 -1.498 3.495 1.00 0.00 C ATOM 195 OG SER A 15 -2.902 -2.688 2.887 1.00 0.00 O ATOM 0 H SER A 15 -1.064 -2.548 4.577 1.00 0.00 H new ATOM 0 HA SER A 15 -2.506 0.038 4.682 1.00 0.00 H new ATOM 0 HB2 SER A 15 -4.417 -1.664 3.839 1.00 0.00 H new ATOM 0 HB3 SER A 15 -3.436 -0.701 2.752 1.00 0.00 H new ATOM 0 HG SER A 15 -2.990 -2.619 1.913 1.00 0.00 H new ATOM 201 N THR A 16 -4.260 -0.971 6.347 1.00 0.00 N ATOM 202 CA THR A 16 -4.939 -1.347 7.575 1.00 0.00 C ATOM 203 C THR A 16 -6.393 -1.725 7.287 1.00 0.00 C ATOM 204 O THR A 16 -6.943 -1.348 6.253 1.00 0.00 O ATOM 205 CB THR A 16 -4.797 -0.190 8.567 1.00 0.00 C ATOM 206 OG1 THR A 16 -5.787 -0.458 9.556 1.00 0.00 O ATOM 207 CG2 THR A 16 -5.223 1.151 7.966 1.00 0.00 C ATOM 0 H THR A 16 -4.727 -0.243 5.807 1.00 0.00 H new ATOM 0 HA THR A 16 -4.488 -2.234 8.020 1.00 0.00 H new ATOM 0 HB THR A 16 -3.762 -0.124 8.904 1.00 0.00 H new ATOM 0 HG1 THR A 16 -5.764 0.243 10.240 1.00 0.00 H new ATOM 0 HG21 THR A 16 -5.103 1.938 8.711 1.00 0.00 H new ATOM 0 HG22 THR A 16 -4.602 1.374 7.098 1.00 0.00 H new ATOM 0 HG23 THR A 16 -6.268 1.097 7.660 1.00 0.00 H new ATOM 215 N SER A 17 -6.975 -2.465 8.219 1.00 0.00 N ATOM 216 CA SER A 17 -8.355 -2.898 8.078 1.00 0.00 C ATOM 217 C SER A 17 -9.257 -2.081 9.005 1.00 0.00 C ATOM 218 O SER A 17 -10.370 -1.715 8.629 1.00 0.00 O ATOM 219 CB SER A 17 -8.497 -4.391 8.381 1.00 0.00 C ATOM 220 OG SER A 17 -9.855 -4.821 8.323 1.00 0.00 O ATOM 0 H SER A 17 -6.516 -2.776 9.075 1.00 0.00 H new ATOM 0 HA SER A 17 -8.661 -2.733 7.045 1.00 0.00 H new ATOM 0 HB2 SER A 17 -7.905 -4.964 7.667 1.00 0.00 H new ATOM 0 HB3 SER A 17 -8.093 -4.600 9.371 1.00 0.00 H new ATOM 0 HG SER A 17 -9.903 -5.780 8.521 1.00 0.00 H new ATOM 226 N VAL A 18 -8.744 -1.818 10.198 1.00 0.00 N ATOM 227 CA VAL A 18 -9.490 -1.051 11.180 1.00 0.00 C ATOM 228 C VAL A 18 -9.012 0.403 11.156 1.00 0.00 C ATOM 229 O VAL A 18 -7.881 0.694 11.541 1.00 0.00 O ATOM 230 CB VAL A 18 -9.359 -1.700 12.560 1.00 0.00 C ATOM 231 CG1 VAL A 18 -10.151 -0.918 13.611 1.00 0.00 C ATOM 232 CG2 VAL A 18 -9.798 -3.165 12.520 1.00 0.00 C ATOM 0 H VAL A 18 -7.821 -2.123 10.506 1.00 0.00 H new ATOM 0 HA VAL A 18 -10.552 -1.048 10.936 1.00 0.00 H new ATOM 0 HB VAL A 18 -8.307 -1.673 12.845 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -10.041 -1.400 14.582 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -9.772 0.102 13.667 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -11.205 -0.899 13.333 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -9.695 -3.603 13.513 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -10.839 -3.224 12.203 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -9.173 -3.713 11.815 1.00 0.00 H new ATOM 242 N THR A 19 -9.898 1.276 10.699 1.00 0.00 N ATOM 243 CA THR A 19 -9.581 2.691 10.620 1.00 0.00 C ATOM 244 C THR A 19 -10.862 3.527 10.644 1.00 0.00 C ATOM 245 O THR A 19 -11.917 3.066 10.209 1.00 0.00 O ATOM 246 CB THR A 19 -8.732 2.916 9.367 1.00 0.00 C ATOM 247 OG1 THR A 19 -8.565 4.330 9.309 1.00 0.00 O ATOM 248 CG2 THR A 19 -9.487 2.577 8.080 1.00 0.00 C ATOM 0 H THR A 19 -10.835 1.030 10.380 1.00 0.00 H new ATOM 0 HA THR A 19 -9.003 3.015 11.485 1.00 0.00 H new ATOM 0 HB THR A 19 -7.828 2.310 9.428 1.00 0.00 H new ATOM 0 HG1 THR A 19 -8.024 4.564 8.526 1.00 0.00 H new ATOM 0 HG21 THR A 19 -8.840 2.754 7.221 1.00 0.00 H new ATOM 0 HG22 THR A 19 -9.786 1.529 8.099 1.00 0.00 H new ATOM 0 HG23 THR A 19 -10.374 3.206 8.002 1.00 0.00 H new ATOM 256 N GLY A 20 -10.729 4.742 11.156 1.00 0.00 N ATOM 257 CA GLY A 20 -11.863 5.646 11.242 1.00 0.00 C ATOM 258 C GLY A 20 -11.680 6.846 10.310 1.00 0.00 C ATOM 259 O GLY A 20 -12.652 7.496 9.931 1.00 0.00 O ATOM 0 H GLY A 20 -9.853 5.121 11.515 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -12.777 5.114 10.980 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -11.979 5.993 12.269 1.00 0.00 H new ATOM 263 N SER A 21 -10.426 7.102 9.967 1.00 0.00 N ATOM 264 CA SER A 21 -10.103 8.212 9.087 1.00 0.00 C ATOM 265 C SER A 21 -10.975 8.155 7.831 1.00 0.00 C ATOM 266 O SER A 21 -11.437 9.186 7.344 1.00 0.00 O ATOM 267 CB SER A 21 -8.621 8.199 8.705 1.00 0.00 C ATOM 268 OG SER A 21 -7.872 9.165 9.437 1.00 0.00 O ATOM 0 H SER A 21 -9.622 6.560 10.283 1.00 0.00 H new ATOM 0 HA SER A 21 -10.305 9.141 9.620 1.00 0.00 H new ATOM 0 HB2 SER A 21 -8.209 7.207 8.887 1.00 0.00 H new ATOM 0 HB3 SER A 21 -8.520 8.395 7.638 1.00 0.00 H new ATOM 0 HG SER A 21 -6.931 9.124 9.166 1.00 0.00 H new ATOM 274 N ARG A 22 -11.174 6.940 7.342 1.00 0.00 N ATOM 275 CA ARG A 22 -11.983 6.735 6.153 1.00 0.00 C ATOM 276 C ARG A 22 -11.175 7.071 4.898 1.00 0.00 C ATOM 277 O ARG A 22 -10.835 6.183 4.118 1.00 0.00 O ATOM 278 CB ARG A 22 -13.243 7.601 6.188 1.00 0.00 C ATOM 279 CG ARG A 22 -14.372 6.961 5.377 1.00 0.00 C ATOM 280 CD ARG A 22 -15.611 6.735 6.246 1.00 0.00 C ATOM 281 NE ARG A 22 -16.152 5.378 6.014 1.00 0.00 N ATOM 282 CZ ARG A 22 -17.131 4.824 6.742 1.00 0.00 C ATOM 283 NH1 ARG A 22 -17.682 5.509 7.754 1.00 0.00 N ATOM 284 NH2 ARG A 22 -17.559 3.586 6.459 1.00 0.00 N ATOM 0 H ARG A 22 -10.789 6.087 7.748 1.00 0.00 H new ATOM 0 HA ARG A 22 -12.278 5.686 6.129 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -13.565 7.739 7.220 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -13.020 8.590 5.789 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -14.627 7.602 4.533 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -14.034 6.010 4.964 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -15.354 6.858 7.298 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -16.370 7.482 6.013 1.00 0.00 H new ATOM 0 HE ARG A 22 -15.755 4.829 5.252 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -17.356 6.451 7.969 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -18.427 5.088 8.309 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -17.139 3.065 5.689 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -18.304 3.165 7.014 1.00 0.00 H new ATOM 298 N GLU A 23 -10.892 8.356 4.742 1.00 0.00 N ATOM 299 CA GLU A 23 -10.131 8.821 3.595 1.00 0.00 C ATOM 300 C GLU A 23 -8.980 7.859 3.296 1.00 0.00 C ATOM 301 O GLU A 23 -8.717 7.540 2.138 1.00 0.00 O ATOM 302 CB GLU A 23 -9.613 10.243 3.820 1.00 0.00 C ATOM 303 CG GLU A 23 -10.214 11.213 2.801 1.00 0.00 C ATOM 304 CD GLU A 23 -11.737 11.277 2.936 1.00 0.00 C ATOM 305 OE1 GLU A 23 -12.204 11.276 4.095 1.00 0.00 O ATOM 306 OE2 GLU A 23 -12.399 11.324 1.876 1.00 0.00 O ATOM 0 H GLU A 23 -11.176 9.090 5.391 1.00 0.00 H new ATOM 0 HA GLU A 23 -10.793 8.844 2.730 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -9.863 10.569 4.829 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -8.526 10.255 3.741 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -9.791 12.207 2.946 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -9.948 10.897 1.792 1.00 0.00 H new ATOM 313 N ILE A 24 -8.324 7.423 4.362 1.00 0.00 N ATOM 314 CA ILE A 24 -7.207 6.504 4.229 1.00 0.00 C ATOM 315 C ILE A 24 -7.616 5.337 3.327 1.00 0.00 C ATOM 316 O ILE A 24 -6.969 5.073 2.315 1.00 0.00 O ATOM 317 CB ILE A 24 -6.703 6.069 5.607 1.00 0.00 C ATOM 318 CG1 ILE A 24 -6.064 7.242 6.352 1.00 0.00 C ATOM 319 CG2 ILE A 24 -5.752 4.876 5.492 1.00 0.00 C ATOM 320 CD1 ILE A 24 -5.641 6.830 7.764 1.00 0.00 C ATOM 0 H ILE A 24 -8.545 7.690 5.321 1.00 0.00 H new ATOM 0 HA ILE A 24 -6.363 6.998 3.748 1.00 0.00 H new ATOM 0 HB ILE A 24 -7.560 5.742 6.196 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -5.196 7.600 5.798 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -6.770 8.070 6.407 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -5.409 4.587 6.485 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -6.274 4.038 5.031 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -4.895 5.152 4.878 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -5.190 7.682 8.272 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -6.515 6.496 8.323 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -4.916 6.018 7.704 1.00 0.00 H new ATOM 332 N LYS A 25 -8.689 4.670 3.728 1.00 0.00 N ATOM 333 CA LYS A 25 -9.192 3.538 2.969 1.00 0.00 C ATOM 334 C LYS A 25 -9.082 3.843 1.473 1.00 0.00 C ATOM 335 O LYS A 25 -8.380 3.144 0.744 1.00 0.00 O ATOM 336 CB LYS A 25 -10.609 3.178 3.420 1.00 0.00 C ATOM 337 CG LYS A 25 -10.630 2.785 4.899 1.00 0.00 C ATOM 338 CD LYS A 25 -11.904 3.288 5.582 1.00 0.00 C ATOM 339 CE LYS A 25 -12.878 2.137 5.840 1.00 0.00 C ATOM 340 NZ LYS A 25 -12.536 1.441 7.100 1.00 0.00 N ATOM 0 H LYS A 25 -9.223 4.892 4.568 1.00 0.00 H new ATOM 0 HA LYS A 25 -8.586 2.652 3.160 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -11.273 4.026 3.256 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -10.989 2.354 2.816 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -10.567 1.701 4.992 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -9.756 3.199 5.401 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -11.649 3.772 6.525 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -12.383 4.041 4.957 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -13.897 2.520 5.894 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -12.846 1.433 5.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -13.246 0.707 7.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -11.598 1.001 7.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -12.523 2.126 7.882 1.00 0.00 H new ATOM 354 N SER A 26 -9.787 4.886 1.061 1.00 0.00 N ATOM 355 CA SER A 26 -9.777 5.291 -0.334 1.00 0.00 C ATOM 356 C SER A 26 -8.368 5.146 -0.912 1.00 0.00 C ATOM 357 O SER A 26 -8.173 4.467 -1.919 1.00 0.00 O ATOM 358 CB SER A 26 -10.270 6.731 -0.493 1.00 0.00 C ATOM 359 OG SER A 26 -11.416 6.814 -1.335 1.00 0.00 O ATOM 0 H SER A 26 -10.369 5.463 1.669 1.00 0.00 H new ATOM 0 HA SER A 26 -10.457 4.640 -0.883 1.00 0.00 H new ATOM 0 HB2 SER A 26 -10.510 7.142 0.488 1.00 0.00 H new ATOM 0 HB3 SER A 26 -9.470 7.344 -0.908 1.00 0.00 H new ATOM 0 HG SER A 26 -11.700 7.749 -1.409 1.00 0.00 H new ATOM 365 N GLN A 27 -7.421 5.794 -0.249 1.00 0.00 N ATOM 366 CA GLN A 27 -6.036 5.745 -0.684 1.00 0.00 C ATOM 367 C GLN A 27 -5.562 4.294 -0.785 1.00 0.00 C ATOM 368 O GLN A 27 -4.898 3.920 -1.750 1.00 0.00 O ATOM 369 CB GLN A 27 -5.137 6.551 0.256 1.00 0.00 C ATOM 370 CG GLN A 27 -5.315 8.054 0.031 1.00 0.00 C ATOM 371 CD GLN A 27 -4.566 8.860 1.094 1.00 0.00 C ATOM 372 OE1 GLN A 27 -3.384 8.674 1.332 1.00 0.00 O ATOM 373 NE2 GLN A 27 -5.318 9.764 1.716 1.00 0.00 N ATOM 0 H GLN A 27 -7.586 6.356 0.586 1.00 0.00 H new ATOM 0 HA GLN A 27 -5.970 6.198 -1.673 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -5.373 6.304 1.291 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -4.095 6.276 0.093 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -4.948 8.323 -0.960 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -6.375 8.306 0.058 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -6.302 9.867 1.467 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -4.911 10.354 2.442 1.00 0.00 H new ATOM 382 N GLN A 28 -5.923 3.516 0.225 1.00 0.00 N ATOM 383 CA GLN A 28 -5.543 2.114 0.262 1.00 0.00 C ATOM 384 C GLN A 28 -6.194 1.357 -0.898 1.00 0.00 C ATOM 385 O GLN A 28 -5.509 0.679 -1.663 1.00 0.00 O ATOM 386 CB GLN A 28 -5.911 1.481 1.605 1.00 0.00 C ATOM 387 CG GLN A 28 -5.354 2.303 2.769 1.00 0.00 C ATOM 388 CD GLN A 28 -5.398 1.505 4.074 1.00 0.00 C ATOM 389 OE1 GLN A 28 -4.523 0.709 4.375 1.00 0.00 O ATOM 390 NE2 GLN A 28 -6.462 1.761 4.829 1.00 0.00 N ATOM 0 H GLN A 28 -6.474 3.830 1.024 1.00 0.00 H new ATOM 0 HA GLN A 28 -4.461 2.048 0.152 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -6.995 1.409 1.692 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -5.519 0.465 1.652 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -4.327 2.597 2.553 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -5.932 3.221 2.880 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -7.157 2.439 4.517 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -6.583 1.279 5.720 1.00 0.00 H new ATOM 399 N SER A 29 -7.508 1.497 -0.990 1.00 0.00 N ATOM 400 CA SER A 29 -8.259 0.835 -2.043 1.00 0.00 C ATOM 401 C SER A 29 -7.696 1.224 -3.412 1.00 0.00 C ATOM 402 O SER A 29 -7.542 0.375 -4.288 1.00 0.00 O ATOM 403 CB SER A 29 -9.746 1.184 -1.963 1.00 0.00 C ATOM 404 OG SER A 29 -10.530 0.081 -1.518 1.00 0.00 O ATOM 0 H SER A 29 -8.072 2.059 -0.353 1.00 0.00 H new ATOM 0 HA SER A 29 -8.159 -0.242 -1.908 1.00 0.00 H new ATOM 0 HB2 SER A 29 -9.885 2.025 -1.284 1.00 0.00 H new ATOM 0 HB3 SER A 29 -10.096 1.505 -2.944 1.00 0.00 H new ATOM 0 HG SER A 29 -11.473 0.345 -1.479 1.00 0.00 H new ATOM 410 N GLU A 30 -7.403 2.508 -3.552 1.00 0.00 N ATOM 411 CA GLU A 30 -6.860 3.021 -4.799 1.00 0.00 C ATOM 412 C GLU A 30 -5.510 2.366 -5.099 1.00 0.00 C ATOM 413 O GLU A 30 -5.367 1.658 -6.094 1.00 0.00 O ATOM 414 CB GLU A 30 -6.733 4.545 -4.756 1.00 0.00 C ATOM 415 CG GLU A 30 -7.796 5.208 -5.634 1.00 0.00 C ATOM 416 CD GLU A 30 -7.681 6.733 -5.576 1.00 0.00 C ATOM 417 OE1 GLU A 30 -6.792 7.262 -6.278 1.00 0.00 O ATOM 418 OE2 GLU A 30 -8.484 7.335 -4.831 1.00 0.00 O ATOM 0 H GLU A 30 -7.531 3.209 -2.822 1.00 0.00 H new ATOM 0 HA GLU A 30 -7.551 2.770 -5.604 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -6.836 4.893 -3.728 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -5.740 4.841 -5.095 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -7.684 4.870 -6.664 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -8.789 4.902 -5.304 1.00 0.00 H new ATOM 425 N VAL A 31 -4.554 2.625 -4.219 1.00 0.00 N ATOM 426 CA VAL A 31 -3.221 2.070 -4.377 1.00 0.00 C ATOM 427 C VAL A 31 -3.330 0.622 -4.859 1.00 0.00 C ATOM 428 O VAL A 31 -2.765 0.264 -5.892 1.00 0.00 O ATOM 429 CB VAL A 31 -2.438 2.206 -3.069 1.00 0.00 C ATOM 430 CG1 VAL A 31 -1.147 1.387 -3.114 1.00 0.00 C ATOM 431 CG2 VAL A 31 -2.146 3.675 -2.756 1.00 0.00 C ATOM 0 H VAL A 31 -4.676 3.212 -3.394 1.00 0.00 H new ATOM 0 HA VAL A 31 -2.665 2.624 -5.133 1.00 0.00 H new ATOM 0 HB VAL A 31 -3.057 1.809 -2.265 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -0.610 1.502 -2.172 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -1.388 0.335 -3.268 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -0.521 1.740 -3.934 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -1.589 3.744 -1.822 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -1.556 4.109 -3.563 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -3.085 4.220 -2.660 1.00 0.00 H new ATOM 441 N THR A 32 -4.060 -0.171 -4.090 1.00 0.00 N ATOM 442 CA THR A 32 -4.251 -1.572 -4.426 1.00 0.00 C ATOM 443 C THR A 32 -4.886 -1.707 -5.811 1.00 0.00 C ATOM 444 O THR A 32 -4.483 -2.557 -6.603 1.00 0.00 O ATOM 445 CB THR A 32 -5.079 -2.217 -3.312 1.00 0.00 C ATOM 446 OG1 THR A 32 -6.251 -1.410 -3.240 1.00 0.00 O ATOM 447 CG2 THR A 32 -4.432 -2.059 -1.935 1.00 0.00 C ATOM 0 H THR A 32 -4.527 0.130 -3.234 1.00 0.00 H new ATOM 0 HA THR A 32 -3.298 -2.097 -4.488 1.00 0.00 H new ATOM 0 HB THR A 32 -5.216 -3.276 -3.528 1.00 0.00 H new ATOM 0 HG1 THR A 32 -6.122 -0.704 -2.572 1.00 0.00 H new ATOM 0 HG21 THR A 32 -5.060 -2.534 -1.181 1.00 0.00 H new ATOM 0 HG22 THR A 32 -3.449 -2.531 -1.938 1.00 0.00 H new ATOM 0 HG23 THR A 32 -4.325 -0.999 -1.703 1.00 0.00 H new ATOM 455 N ARG A 33 -5.869 -0.854 -6.062 1.00 0.00 N ATOM 456 CA ARG A 33 -6.564 -0.867 -7.338 1.00 0.00 C ATOM 457 C ARG A 33 -5.574 -0.641 -8.483 1.00 0.00 C ATOM 458 O ARG A 33 -5.449 -1.480 -9.374 1.00 0.00 O ATOM 459 CB ARG A 33 -7.645 0.214 -7.387 1.00 0.00 C ATOM 460 CG ARG A 33 -8.651 -0.067 -8.505 1.00 0.00 C ATOM 461 CD ARG A 33 -9.784 0.962 -8.495 1.00 0.00 C ATOM 462 NE ARG A 33 -9.996 1.494 -9.860 1.00 0.00 N ATOM 463 CZ ARG A 33 -9.203 2.402 -10.444 1.00 0.00 C ATOM 464 NH1 ARG A 33 -8.140 2.885 -9.786 1.00 0.00 N ATOM 465 NH2 ARG A 33 -9.473 2.828 -11.685 1.00 0.00 N ATOM 0 H ARG A 33 -6.200 -0.149 -5.403 1.00 0.00 H new ATOM 0 HA ARG A 33 -7.037 -1.843 -7.449 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -8.163 0.259 -6.429 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -7.183 1.188 -7.545 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -8.144 -0.045 -9.469 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -9.064 -1.069 -8.384 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -10.701 0.501 -8.129 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -9.541 1.776 -7.812 1.00 0.00 H new ATOM 0 HE ARG A 33 -10.796 1.147 -10.389 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -7.935 2.561 -8.841 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -7.536 3.576 -10.230 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -10.283 2.461 -12.185 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -8.869 3.519 -12.130 1.00 0.00 H new ATOM 479 N ILE A 34 -4.898 0.496 -8.422 1.00 0.00 N ATOM 480 CA ILE A 34 -3.924 0.843 -9.443 1.00 0.00 C ATOM 481 C ILE A 34 -2.901 -0.287 -9.571 1.00 0.00 C ATOM 482 O ILE A 34 -2.571 -0.709 -10.678 1.00 0.00 O ATOM 483 CB ILE A 34 -3.299 2.207 -9.146 1.00 0.00 C ATOM 484 CG1 ILE A 34 -4.368 3.301 -9.092 1.00 0.00 C ATOM 485 CG2 ILE A 34 -2.194 2.535 -10.153 1.00 0.00 C ATOM 486 CD1 ILE A 34 -4.281 4.089 -7.784 1.00 0.00 C ATOM 0 H ILE A 34 -5.005 1.189 -7.681 1.00 0.00 H new ATOM 0 HA ILE A 34 -4.410 0.945 -10.413 1.00 0.00 H new ATOM 0 HB ILE A 34 -2.835 2.162 -8.161 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -4.244 3.978 -9.937 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -5.357 2.853 -9.185 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -1.766 3.510 -9.919 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -1.415 1.775 -10.099 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -2.613 2.554 -11.159 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -5.052 4.860 -7.772 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -4.430 3.413 -6.942 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -3.299 4.556 -7.705 1.00 0.00 H new ATOM 498 N LEU A 35 -2.427 -0.746 -8.422 1.00 0.00 N ATOM 499 CA LEU A 35 -1.448 -1.819 -8.391 1.00 0.00 C ATOM 500 C LEU A 35 -2.056 -3.077 -9.015 1.00 0.00 C ATOM 501 O LEU A 35 -1.392 -3.781 -9.774 1.00 0.00 O ATOM 502 CB LEU A 35 -0.928 -2.030 -6.967 1.00 0.00 C ATOM 503 CG LEU A 35 0.040 -0.967 -6.443 1.00 0.00 C ATOM 504 CD1 LEU A 35 0.434 -1.253 -4.992 1.00 0.00 C ATOM 505 CD2 LEU A 35 1.262 -0.842 -7.354 1.00 0.00 C ATOM 0 H LEU A 35 -2.703 -0.394 -7.505 1.00 0.00 H new ATOM 0 HA LEU A 35 -0.576 -1.555 -8.989 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -1.783 -2.079 -6.293 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -0.431 -2.999 -6.923 1.00 0.00 H new ATOM 0 HG LEU A 35 -0.470 -0.004 -6.455 1.00 0.00 H new ATOM 0 HD11 LEU A 35 1.122 -0.483 -4.643 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -0.458 -1.253 -4.366 1.00 0.00 H new ATOM 0 HD13 LEU A 35 0.919 -2.227 -4.932 1.00 0.00 H new ATOM 0 HD21 LEU A 35 1.934 -0.080 -6.959 1.00 0.00 H new ATOM 0 HD22 LEU A 35 1.783 -1.798 -7.397 1.00 0.00 H new ATOM 0 HD23 LEU A 35 0.941 -0.558 -8.356 1.00 0.00 H new ATOM 517 N ASP A 36 -3.313 -3.320 -8.674 1.00 0.00 N ATOM 518 CA ASP A 36 -4.018 -4.480 -9.191 1.00 0.00 C ATOM 519 C ASP A 36 -4.072 -4.398 -10.718 1.00 0.00 C ATOM 520 O ASP A 36 -3.652 -5.326 -11.408 1.00 0.00 O ATOM 521 CB ASP A 36 -5.456 -4.529 -8.669 1.00 0.00 C ATOM 522 CG ASP A 36 -5.677 -5.453 -7.470 1.00 0.00 C ATOM 523 OD1 ASP A 36 -5.745 -6.679 -7.703 1.00 0.00 O ATOM 524 OD2 ASP A 36 -5.772 -4.912 -6.347 1.00 0.00 O ATOM 0 H ASP A 36 -3.861 -2.733 -8.046 1.00 0.00 H new ATOM 0 HA ASP A 36 -3.485 -5.373 -8.863 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -5.761 -3.520 -8.392 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -6.110 -4.848 -9.480 1.00 0.00 H new ATOM 529 N GLY A 37 -4.594 -3.280 -11.202 1.00 0.00 N ATOM 530 CA GLY A 37 -4.708 -3.066 -12.634 1.00 0.00 C ATOM 531 C GLY A 37 -3.338 -3.143 -13.311 1.00 0.00 C ATOM 532 O GLY A 37 -3.188 -3.793 -14.344 1.00 0.00 O ATOM 0 H GLY A 37 -4.943 -2.513 -10.627 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -5.373 -3.814 -13.065 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -5.158 -2.092 -12.825 1.00 0.00 H new ATOM 536 N LYS A 38 -2.374 -2.469 -12.702 1.00 0.00 N ATOM 537 CA LYS A 38 -1.022 -2.453 -13.233 1.00 0.00 C ATOM 538 C LYS A 38 -0.433 -3.863 -13.162 1.00 0.00 C ATOM 539 O LYS A 38 0.599 -4.141 -13.771 1.00 0.00 O ATOM 540 CB LYS A 38 -0.177 -1.398 -12.516 1.00 0.00 C ATOM 541 CG LYS A 38 -0.712 0.010 -12.787 1.00 0.00 C ATOM 542 CD LYS A 38 0.363 0.892 -13.425 1.00 0.00 C ATOM 543 CE LYS A 38 0.028 2.375 -13.253 1.00 0.00 C ATOM 544 NZ LYS A 38 -0.423 2.957 -14.537 1.00 0.00 N ATOM 0 H LYS A 38 -2.502 -1.930 -11.846 1.00 0.00 H new ATOM 0 HA LYS A 38 -1.030 -2.163 -14.284 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -0.180 -1.592 -11.443 1.00 0.00 H new ATOM 0 HB3 LYS A 38 0.858 -1.468 -12.850 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -1.579 -0.047 -13.446 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -1.050 0.460 -11.854 1.00 0.00 H new ATOM 0 HD2 LYS A 38 1.330 0.679 -12.970 1.00 0.00 H new ATOM 0 HD3 LYS A 38 0.450 0.656 -14.486 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -0.751 2.493 -12.500 1.00 0.00 H new ATOM 0 HE3 LYS A 38 0.905 2.912 -12.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -0.646 3.964 -14.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 0.332 2.862 -15.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -1.272 2.455 -14.866 1.00 0.00 H new ATOM 558 N ARG A 39 -1.115 -4.718 -12.413 1.00 0.00 N ATOM 559 CA ARG A 39 -0.673 -6.092 -12.254 1.00 0.00 C ATOM 560 C ARG A 39 0.742 -6.132 -11.675 1.00 0.00 C ATOM 561 O ARG A 39 1.579 -6.913 -12.124 1.00 0.00 O ATOM 562 CB ARG A 39 -0.690 -6.834 -13.592 1.00 0.00 C ATOM 563 CG ARG A 39 -2.116 -6.958 -14.133 1.00 0.00 C ATOM 564 CD ARG A 39 -2.863 -8.107 -13.453 1.00 0.00 C ATOM 565 NE ARG A 39 -4.175 -8.314 -14.104 1.00 0.00 N ATOM 566 CZ ARG A 39 -5.044 -9.272 -13.755 1.00 0.00 C ATOM 567 NH1 ARG A 39 -4.746 -10.117 -12.759 1.00 0.00 N ATOM 568 NH2 ARG A 39 -6.212 -9.385 -14.402 1.00 0.00 N ATOM 0 H ARG A 39 -1.971 -4.485 -11.910 1.00 0.00 H new ATOM 0 HA ARG A 39 -1.363 -6.584 -11.569 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -0.068 -6.304 -14.314 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -0.257 -7.827 -13.467 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -2.653 -6.024 -13.970 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -2.087 -7.125 -15.210 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -2.271 -9.021 -13.510 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -3.004 -7.884 -12.395 1.00 0.00 H new ATOM 0 HE ARG A 39 -4.434 -7.688 -14.866 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -3.857 -10.031 -12.266 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -5.408 -10.846 -12.494 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -6.439 -8.742 -15.160 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -6.874 -10.114 -14.136 1.00 0.00 H new ATOM 582 N ILE A 40 0.966 -5.279 -10.686 1.00 0.00 N ATOM 583 CA ILE A 40 2.266 -5.206 -10.041 1.00 0.00 C ATOM 584 C ILE A 40 2.337 -6.252 -8.926 1.00 0.00 C ATOM 585 O ILE A 40 1.352 -6.488 -8.229 1.00 0.00 O ATOM 586 CB ILE A 40 2.549 -3.779 -9.565 1.00 0.00 C ATOM 587 CG1 ILE A 40 2.643 -2.815 -10.749 1.00 0.00 C ATOM 588 CG2 ILE A 40 3.800 -3.733 -8.686 1.00 0.00 C ATOM 589 CD1 ILE A 40 2.643 -1.361 -10.272 1.00 0.00 C ATOM 0 H ILE A 40 0.269 -4.633 -10.316 1.00 0.00 H new ATOM 0 HA ILE A 40 3.058 -5.443 -10.752 1.00 0.00 H new ATOM 0 HB ILE A 40 1.711 -3.451 -8.949 1.00 0.00 H new ATOM 0 HG12 ILE A 40 3.552 -3.016 -11.315 1.00 0.00 H new ATOM 0 HG13 ILE A 40 1.804 -2.980 -11.425 1.00 0.00 H new ATOM 0 HG21 ILE A 40 3.979 -2.708 -8.361 1.00 0.00 H new ATOM 0 HG22 ILE A 40 3.655 -4.370 -7.814 1.00 0.00 H new ATOM 0 HG23 ILE A 40 4.659 -4.088 -9.256 1.00 0.00 H new ATOM 0 HD11 ILE A 40 2.711 -0.696 -11.133 1.00 0.00 H new ATOM 0 HD12 ILE A 40 1.721 -1.157 -9.727 1.00 0.00 H new ATOM 0 HD13 ILE A 40 3.497 -1.193 -9.616 1.00 0.00 H new ATOM 601 N GLN A 41 3.511 -6.850 -8.794 1.00 0.00 N ATOM 602 CA GLN A 41 3.723 -7.865 -7.776 1.00 0.00 C ATOM 603 C GLN A 41 4.024 -7.209 -6.427 1.00 0.00 C ATOM 604 O GLN A 41 5.098 -6.641 -6.235 1.00 0.00 O ATOM 605 CB GLN A 41 4.845 -8.823 -8.182 1.00 0.00 C ATOM 606 CG GLN A 41 4.285 -10.199 -8.549 1.00 0.00 C ATOM 607 CD GLN A 41 4.013 -10.297 -10.052 1.00 0.00 C ATOM 608 OE1 GLN A 41 3.002 -9.838 -10.557 1.00 0.00 O ATOM 609 NE2 GLN A 41 4.969 -10.920 -10.734 1.00 0.00 N ATOM 0 H GLN A 41 4.326 -6.651 -9.375 1.00 0.00 H new ATOM 0 HA GLN A 41 2.808 -8.450 -7.678 1.00 0.00 H new ATOM 0 HB2 GLN A 41 5.391 -8.411 -9.030 1.00 0.00 H new ATOM 0 HB3 GLN A 41 5.557 -8.923 -7.363 1.00 0.00 H new ATOM 0 HG2 GLN A 41 4.992 -10.974 -8.252 1.00 0.00 H new ATOM 0 HG3 GLN A 41 3.363 -10.380 -7.996 1.00 0.00 H new ATOM 0 HE21 GLN A 41 5.790 -11.280 -10.248 1.00 0.00 H new ATOM 0 HE22 GLN A 41 4.881 -11.038 -11.743 1.00 0.00 H new ATOM 618 N TYR A 42 3.057 -7.310 -5.527 1.00 0.00 N ATOM 619 CA TYR A 42 3.205 -6.734 -4.201 1.00 0.00 C ATOM 620 C TYR A 42 2.476 -7.576 -3.152 1.00 0.00 C ATOM 621 O TYR A 42 1.717 -8.481 -3.496 1.00 0.00 O ATOM 622 CB TYR A 42 2.555 -5.350 -4.268 1.00 0.00 C ATOM 623 CG TYR A 42 1.028 -5.376 -4.190 1.00 0.00 C ATOM 624 CD1 TYR A 42 0.402 -5.600 -2.980 1.00 0.00 C ATOM 625 CD2 TYR A 42 0.275 -5.174 -5.329 1.00 0.00 C ATOM 626 CE1 TYR A 42 -1.036 -5.625 -2.907 1.00 0.00 C ATOM 627 CE2 TYR A 42 -1.163 -5.199 -5.256 1.00 0.00 C ATOM 628 CZ TYR A 42 -1.747 -5.422 -4.048 1.00 0.00 C ATOM 629 OH TYR A 42 -3.106 -5.445 -3.979 1.00 0.00 O ATOM 0 H TYR A 42 2.168 -7.782 -5.690 1.00 0.00 H new ATOM 0 HA TYR A 42 4.257 -6.690 -3.917 1.00 0.00 H new ATOM 0 HB2 TYR A 42 2.940 -4.739 -3.451 1.00 0.00 H new ATOM 0 HB3 TYR A 42 2.853 -4.864 -5.197 1.00 0.00 H new ATOM 0 HD1 TYR A 42 0.991 -5.756 -2.088 1.00 0.00 H new ATOM 0 HD2 TYR A 42 0.764 -4.997 -6.275 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -1.538 -5.801 -1.967 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -1.764 -5.044 -6.140 1.00 0.00 H new ATOM 0 HH TYR A 42 -3.482 -5.284 -4.870 1.00 0.00 H new ATOM 639 N GLN A 43 2.733 -7.249 -1.894 1.00 0.00 N ATOM 640 CA GLN A 43 2.110 -7.964 -0.793 1.00 0.00 C ATOM 641 C GLN A 43 1.437 -6.980 0.166 1.00 0.00 C ATOM 642 O GLN A 43 2.063 -6.023 0.619 1.00 0.00 O ATOM 643 CB GLN A 43 3.132 -8.834 -0.058 1.00 0.00 C ATOM 644 CG GLN A 43 2.451 -10.027 0.616 1.00 0.00 C ATOM 645 CD GLN A 43 3.467 -10.876 1.383 1.00 0.00 C ATOM 646 OE1 GLN A 43 4.142 -11.730 0.833 1.00 0.00 O ATOM 647 NE2 GLN A 43 3.537 -10.595 2.681 1.00 0.00 N ATOM 0 H GLN A 43 3.364 -6.499 -1.613 1.00 0.00 H new ATOM 0 HA GLN A 43 1.345 -8.624 -1.200 1.00 0.00 H new ATOM 0 HB2 GLN A 43 3.885 -9.190 -0.761 1.00 0.00 H new ATOM 0 HB3 GLN A 43 3.652 -8.237 0.691 1.00 0.00 H new ATOM 0 HG2 GLN A 43 1.679 -9.672 1.299 1.00 0.00 H new ATOM 0 HG3 GLN A 43 1.954 -10.639 -0.136 1.00 0.00 H new ATOM 0 HE21 GLN A 43 2.943 -9.867 3.078 1.00 0.00 H new ATOM 0 HE22 GLN A 43 4.185 -11.107 3.280 1.00 0.00 H new ATOM 656 N LEU A 44 0.170 -7.250 0.446 1.00 0.00 N ATOM 657 CA LEU A 44 -0.594 -6.400 1.343 1.00 0.00 C ATOM 658 C LEU A 44 -0.177 -6.684 2.787 1.00 0.00 C ATOM 659 O LEU A 44 -0.415 -7.776 3.302 1.00 0.00 O ATOM 660 CB LEU A 44 -2.094 -6.569 1.092 1.00 0.00 C ATOM 661 CG LEU A 44 -2.896 -5.276 0.928 1.00 0.00 C ATOM 662 CD1 LEU A 44 -3.493 -5.176 -0.477 1.00 0.00 C ATOM 663 CD2 LEU A 44 -3.966 -5.154 2.015 1.00 0.00 C ATOM 0 H LEU A 44 -0.346 -8.045 0.068 1.00 0.00 H new ATOM 0 HA LEU A 44 -0.377 -5.349 1.149 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -2.226 -7.172 0.194 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -2.520 -7.135 1.921 1.00 0.00 H new ATOM 0 HG LEU A 44 -2.215 -4.433 1.049 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -4.058 -4.248 -0.567 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -2.691 -5.185 -1.215 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -4.156 -6.023 -0.652 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -4.522 -4.227 1.876 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -4.650 -6.000 1.949 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -3.490 -5.148 2.995 1.00 0.00 H new ATOM 675 N VAL A 45 0.437 -5.683 3.400 1.00 0.00 N ATOM 676 CA VAL A 45 0.890 -5.812 4.775 1.00 0.00 C ATOM 677 C VAL A 45 -0.130 -5.154 5.706 1.00 0.00 C ATOM 678 O VAL A 45 -0.244 -3.930 5.743 1.00 0.00 O ATOM 679 CB VAL A 45 2.296 -5.227 4.920 1.00 0.00 C ATOM 680 CG1 VAL A 45 2.665 -5.044 6.393 1.00 0.00 C ATOM 681 CG2 VAL A 45 3.329 -6.096 4.200 1.00 0.00 C ATOM 0 H VAL A 45 0.632 -4.779 2.970 1.00 0.00 H new ATOM 0 HA VAL A 45 0.959 -6.862 5.058 1.00 0.00 H new ATOM 0 HB VAL A 45 2.299 -4.244 4.449 1.00 0.00 H new ATOM 0 HG11 VAL A 45 3.669 -4.627 6.467 1.00 0.00 H new ATOM 0 HG12 VAL A 45 1.954 -4.365 6.865 1.00 0.00 H new ATOM 0 HG13 VAL A 45 2.635 -6.009 6.898 1.00 0.00 H new ATOM 0 HG21 VAL A 45 4.320 -5.657 4.319 1.00 0.00 H new ATOM 0 HG22 VAL A 45 3.322 -7.099 4.627 1.00 0.00 H new ATOM 0 HG23 VAL A 45 3.082 -6.152 3.140 1.00 0.00 H new ATOM 691 N ASP A 46 -0.846 -5.996 6.437 1.00 0.00 N ATOM 692 CA ASP A 46 -1.852 -5.512 7.366 1.00 0.00 C ATOM 693 C ASP A 46 -1.168 -5.030 8.647 1.00 0.00 C ATOM 694 O ASP A 46 -0.708 -5.838 9.452 1.00 0.00 O ATOM 695 CB ASP A 46 -2.833 -6.624 7.744 1.00 0.00 C ATOM 696 CG ASP A 46 -4.044 -6.168 8.560 1.00 0.00 C ATOM 697 OD1 ASP A 46 -4.560 -5.074 8.247 1.00 0.00 O ATOM 698 OD2 ASP A 46 -4.427 -6.925 9.479 1.00 0.00 O ATOM 0 H ASP A 46 -0.749 -7.011 6.404 1.00 0.00 H new ATOM 0 HA ASP A 46 -2.395 -4.701 6.882 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -3.188 -7.101 6.830 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -2.296 -7.384 8.312 1.00 0.00 H new ATOM 703 N ILE A 47 -1.123 -3.714 8.796 1.00 0.00 N ATOM 704 CA ILE A 47 -0.503 -3.114 9.965 1.00 0.00 C ATOM 705 C ILE A 47 -1.432 -3.275 11.169 1.00 0.00 C ATOM 706 O ILE A 47 -0.975 -3.306 12.311 1.00 0.00 O ATOM 707 CB ILE A 47 -0.112 -1.663 9.679 1.00 0.00 C ATOM 708 CG1 ILE A 47 -1.354 -0.789 9.485 1.00 0.00 C ATOM 709 CG2 ILE A 47 0.842 -1.576 8.486 1.00 0.00 C ATOM 710 CD1 ILE A 47 -0.966 0.677 9.286 1.00 0.00 C ATOM 0 H ILE A 47 -1.506 -3.047 8.126 1.00 0.00 H new ATOM 0 HA ILE A 47 0.427 -3.628 10.209 1.00 0.00 H new ATOM 0 HB ILE A 47 0.423 -1.276 10.547 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -1.919 -1.140 8.621 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -2.008 -0.882 10.352 1.00 0.00 H new ATOM 0 HG21 ILE A 47 1.104 -0.534 8.305 1.00 0.00 H new ATOM 0 HG22 ILE A 47 1.746 -2.145 8.701 1.00 0.00 H new ATOM 0 HG23 ILE A 47 0.356 -1.987 7.601 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -1.866 1.276 9.150 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -0.422 1.032 10.162 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -0.332 0.769 8.404 1.00 0.00 H new ATOM 722 N SER A 48 -2.720 -3.373 10.874 1.00 0.00 N ATOM 723 CA SER A 48 -3.718 -3.530 11.918 1.00 0.00 C ATOM 724 C SER A 48 -3.449 -4.811 12.711 1.00 0.00 C ATOM 725 O SER A 48 -3.394 -4.784 13.940 1.00 0.00 O ATOM 726 CB SER A 48 -5.131 -3.557 11.331 1.00 0.00 C ATOM 727 OG SER A 48 -5.344 -4.700 10.507 1.00 0.00 O ATOM 0 H SER A 48 -3.096 -3.347 9.926 1.00 0.00 H new ATOM 0 HA SER A 48 -3.648 -2.673 12.588 1.00 0.00 H new ATOM 0 HB2 SER A 48 -5.860 -3.553 12.141 1.00 0.00 H new ATOM 0 HB3 SER A 48 -5.298 -2.652 10.747 1.00 0.00 H new ATOM 0 HG SER A 48 -5.294 -4.437 9.564 1.00 0.00 H new ATOM 733 N GLN A 49 -3.287 -5.901 11.976 1.00 0.00 N ATOM 734 CA GLN A 49 -3.024 -7.189 12.596 1.00 0.00 C ATOM 735 C GLN A 49 -2.041 -7.029 13.757 1.00 0.00 C ATOM 736 O GLN A 49 -2.404 -7.232 14.915 1.00 0.00 O ATOM 737 CB GLN A 49 -2.500 -8.195 11.568 1.00 0.00 C ATOM 738 CG GLN A 49 -3.611 -9.144 11.115 1.00 0.00 C ATOM 739 CD GLN A 49 -3.600 -10.434 11.938 1.00 0.00 C ATOM 740 OE1 GLN A 49 -4.294 -10.572 12.932 1.00 0.00 O ATOM 741 NE2 GLN A 49 -2.775 -11.367 11.472 1.00 0.00 N ATOM 0 H GLN A 49 -3.333 -5.919 10.957 1.00 0.00 H new ATOM 0 HA GLN A 49 -3.962 -7.578 12.992 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -2.097 -7.663 10.706 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -1.680 -8.769 12.000 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -4.578 -8.652 11.217 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -3.483 -9.381 10.059 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -2.222 -11.186 10.634 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -2.695 -12.263 11.952 1.00 0.00 H new ATOM 750 N ASP A 50 -0.816 -6.666 13.408 1.00 0.00 N ATOM 751 CA ASP A 50 0.222 -6.476 14.407 1.00 0.00 C ATOM 752 C ASP A 50 0.470 -4.979 14.600 1.00 0.00 C ATOM 753 O ASP A 50 0.776 -4.268 13.644 1.00 0.00 O ATOM 754 CB ASP A 50 1.537 -7.119 13.964 1.00 0.00 C ATOM 755 CG ASP A 50 2.197 -8.026 15.005 1.00 0.00 C ATOM 756 OD1 ASP A 50 2.010 -7.738 16.207 1.00 0.00 O ATOM 757 OD2 ASP A 50 2.872 -8.986 14.576 1.00 0.00 O ATOM 0 H ASP A 50 -0.519 -6.498 12.447 1.00 0.00 H new ATOM 0 HA ASP A 50 -0.113 -6.942 15.334 1.00 0.00 H new ATOM 0 HB2 ASP A 50 1.353 -7.701 13.061 1.00 0.00 H new ATOM 0 HB3 ASP A 50 2.238 -6.329 13.696 1.00 0.00 H new ATOM 762 N ASN A 51 0.327 -4.544 15.844 1.00 0.00 N ATOM 763 CA ASN A 51 0.532 -3.144 16.175 1.00 0.00 C ATOM 764 C ASN A 51 1.955 -2.736 15.789 1.00 0.00 C ATOM 765 O ASN A 51 2.178 -1.625 15.309 1.00 0.00 O ATOM 766 CB ASN A 51 0.362 -2.902 17.676 1.00 0.00 C ATOM 767 CG ASN A 51 -1.114 -2.729 18.040 1.00 0.00 C ATOM 768 OD1 ASN A 51 -1.954 -2.425 17.208 1.00 0.00 O ATOM 769 ND2 ASN A 51 -1.383 -2.938 19.325 1.00 0.00 N ATOM 0 H ASN A 51 0.072 -5.136 16.634 1.00 0.00 H new ATOM 0 HA ASN A 51 -0.207 -2.557 15.629 1.00 0.00 H new ATOM 0 HB2 ASN A 51 0.782 -3.740 18.233 1.00 0.00 H new ATOM 0 HB3 ASN A 51 0.919 -2.013 17.970 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -2.340 -2.847 19.667 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -0.633 -3.190 19.969 1.00 0.00 H new ATOM 776 N ALA A 52 2.882 -3.656 16.013 1.00 0.00 N ATOM 777 CA ALA A 52 4.277 -3.406 15.695 1.00 0.00 C ATOM 778 C ALA A 52 4.373 -2.764 14.309 1.00 0.00 C ATOM 779 O ALA A 52 4.981 -1.707 14.151 1.00 0.00 O ATOM 780 CB ALA A 52 5.065 -4.714 15.787 1.00 0.00 C ATOM 0 H ALA A 52 2.694 -4.576 16.411 1.00 0.00 H new ATOM 0 HA ALA A 52 4.715 -2.711 16.412 1.00 0.00 H new ATOM 0 HB1 ALA A 52 6.112 -4.526 15.548 1.00 0.00 H new ATOM 0 HB2 ALA A 52 4.990 -5.114 16.798 1.00 0.00 H new ATOM 0 HB3 ALA A 52 4.656 -5.436 15.080 1.00 0.00 H new ATOM 786 N LEU A 53 3.762 -3.431 13.340 1.00 0.00 N ATOM 787 CA LEU A 53 3.771 -2.939 11.973 1.00 0.00 C ATOM 788 C LEU A 53 3.504 -1.432 11.976 1.00 0.00 C ATOM 789 O LEU A 53 4.292 -0.658 11.436 1.00 0.00 O ATOM 790 CB LEU A 53 2.789 -3.736 11.111 1.00 0.00 C ATOM 791 CG LEU A 53 3.179 -5.186 10.816 1.00 0.00 C ATOM 792 CD1 LEU A 53 1.943 -6.084 10.755 1.00 0.00 C ATOM 793 CD2 LEU A 53 4.020 -5.279 9.541 1.00 0.00 C ATOM 0 H LEU A 53 3.258 -4.307 13.475 1.00 0.00 H new ATOM 0 HA LEU A 53 4.751 -3.088 11.520 1.00 0.00 H new ATOM 0 HB2 LEU A 53 1.818 -3.735 11.607 1.00 0.00 H new ATOM 0 HB3 LEU A 53 2.663 -3.214 10.162 1.00 0.00 H new ATOM 0 HG LEU A 53 3.799 -5.547 11.637 1.00 0.00 H new ATOM 0 HD11 LEU A 53 2.248 -7.109 10.544 1.00 0.00 H new ATOM 0 HD12 LEU A 53 1.421 -6.050 11.711 1.00 0.00 H new ATOM 0 HD13 LEU A 53 1.277 -5.734 9.966 1.00 0.00 H new ATOM 0 HD21 LEU A 53 4.284 -6.320 9.354 1.00 0.00 H new ATOM 0 HD22 LEU A 53 3.447 -4.893 8.698 1.00 0.00 H new ATOM 0 HD23 LEU A 53 4.929 -4.690 9.661 1.00 0.00 H new ATOM 805 N ARG A 54 2.389 -1.062 12.589 1.00 0.00 N ATOM 806 CA ARG A 54 2.008 0.338 12.669 1.00 0.00 C ATOM 807 C ARG A 54 3.243 1.211 12.901 1.00 0.00 C ATOM 808 O ARG A 54 3.392 2.260 12.276 1.00 0.00 O ATOM 809 CB ARG A 54 1.006 0.572 13.801 1.00 0.00 C ATOM 810 CG ARG A 54 0.196 1.848 13.561 1.00 0.00 C ATOM 811 CD ARG A 54 -1.163 1.774 14.260 1.00 0.00 C ATOM 812 NE ARG A 54 -1.722 3.135 14.425 1.00 0.00 N ATOM 813 CZ ARG A 54 -2.822 3.414 15.137 1.00 0.00 C ATOM 814 NH1 ARG A 54 -3.487 2.428 15.755 1.00 0.00 N ATOM 815 NH2 ARG A 54 -3.256 4.678 15.232 1.00 0.00 N ATOM 0 H ARG A 54 1.737 -1.708 13.035 1.00 0.00 H new ATOM 0 HA ARG A 54 1.539 0.609 11.723 1.00 0.00 H new ATOM 0 HB2 ARG A 54 0.332 -0.282 13.878 1.00 0.00 H new ATOM 0 HB3 ARG A 54 1.536 0.646 14.751 1.00 0.00 H new ATOM 0 HG2 ARG A 54 0.752 2.710 13.929 1.00 0.00 H new ATOM 0 HG3 ARG A 54 0.051 1.995 12.491 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -1.848 1.159 13.677 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -1.055 1.296 15.233 1.00 0.00 H new ATOM 0 HE ARG A 54 -1.239 3.909 13.968 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -3.155 1.466 15.683 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -4.325 2.640 16.297 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -2.749 5.428 14.762 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -4.094 4.890 15.774 1.00 0.00 H new ATOM 829 N ASP A 55 4.097 0.746 13.800 1.00 0.00 N ATOM 830 CA ASP A 55 5.314 1.471 14.123 1.00 0.00 C ATOM 831 C ASP A 55 6.354 1.226 13.027 1.00 0.00 C ATOM 832 O ASP A 55 6.799 2.164 12.368 1.00 0.00 O ATOM 833 CB ASP A 55 5.905 0.993 15.451 1.00 0.00 C ATOM 834 CG ASP A 55 6.793 2.012 16.167 1.00 0.00 C ATOM 835 OD1 ASP A 55 7.224 2.967 15.485 1.00 0.00 O ATOM 836 OD2 ASP A 55 7.022 1.813 17.379 1.00 0.00 O ATOM 0 H ASP A 55 3.970 -0.125 14.316 1.00 0.00 H new ATOM 0 HA ASP A 55 5.065 2.530 14.200 1.00 0.00 H new ATOM 0 HB2 ASP A 55 5.087 0.715 16.116 1.00 0.00 H new ATOM 0 HB3 ASP A 55 6.488 0.090 15.268 1.00 0.00 H new ATOM 841 N GLU A 56 6.711 -0.040 12.867 1.00 0.00 N ATOM 842 CA GLU A 56 7.690 -0.420 11.863 1.00 0.00 C ATOM 843 C GLU A 56 7.489 0.402 10.588 1.00 0.00 C ATOM 844 O GLU A 56 8.457 0.841 9.969 1.00 0.00 O ATOM 845 CB GLU A 56 7.617 -1.919 11.566 1.00 0.00 C ATOM 846 CG GLU A 56 8.771 -2.667 12.237 1.00 0.00 C ATOM 847 CD GLU A 56 8.586 -2.712 13.755 1.00 0.00 C ATOM 848 OE1 GLU A 56 7.813 -3.584 14.207 1.00 0.00 O ATOM 849 OE2 GLU A 56 9.222 -1.873 14.429 1.00 0.00 O ATOM 0 H GLU A 56 6.340 -0.815 13.416 1.00 0.00 H new ATOM 0 HA GLU A 56 8.685 -0.209 12.255 1.00 0.00 H new ATOM 0 HB2 GLU A 56 6.666 -2.318 11.919 1.00 0.00 H new ATOM 0 HB3 GLU A 56 7.650 -2.082 10.489 1.00 0.00 H new ATOM 0 HG2 GLU A 56 8.829 -3.682 11.844 1.00 0.00 H new ATOM 0 HG3 GLU A 56 9.715 -2.178 11.996 1.00 0.00 H new ATOM 856 N MET A 57 6.226 0.586 10.234 1.00 0.00 N ATOM 857 CA MET A 57 5.886 1.348 9.044 1.00 0.00 C ATOM 858 C MET A 57 6.291 2.815 9.197 1.00 0.00 C ATOM 859 O MET A 57 6.966 3.370 8.332 1.00 0.00 O ATOM 860 CB MET A 57 4.379 1.257 8.793 1.00 0.00 C ATOM 861 CG MET A 57 3.999 1.951 7.483 1.00 0.00 C ATOM 862 SD MET A 57 2.242 2.267 7.448 1.00 0.00 S ATOM 863 CE MET A 57 2.072 3.236 8.937 1.00 0.00 C ATOM 0 H MET A 57 5.426 0.221 10.750 1.00 0.00 H new ATOM 0 HA MET A 57 6.430 0.928 8.198 1.00 0.00 H new ATOM 0 HB2 MET A 57 4.075 0.211 8.756 1.00 0.00 H new ATOM 0 HB3 MET A 57 3.840 1.716 9.622 1.00 0.00 H new ATOM 0 HG2 MET A 57 4.548 2.888 7.386 1.00 0.00 H new ATOM 0 HG3 MET A 57 4.282 1.327 6.636 1.00 0.00 H new ATOM 0 HE1 MET A 57 1.331 4.019 8.779 1.00 0.00 H new ATOM 0 HE2 MET A 57 1.750 2.592 9.756 1.00 0.00 H new ATOM 0 HE3 MET A 57 3.031 3.690 9.187 1.00 0.00 H new ATOM 873 N ARG A 58 5.861 3.401 10.305 1.00 0.00 N ATOM 874 CA ARG A 58 6.170 4.793 10.584 1.00 0.00 C ATOM 875 C ARG A 58 7.675 5.038 10.458 1.00 0.00 C ATOM 876 O ARG A 58 8.101 5.983 9.795 1.00 0.00 O ATOM 877 CB ARG A 58 5.711 5.189 11.988 1.00 0.00 C ATOM 878 CG ARG A 58 4.271 5.706 11.970 1.00 0.00 C ATOM 879 CD ARG A 58 3.453 5.090 13.107 1.00 0.00 C ATOM 880 NE ARG A 58 2.106 4.718 12.618 1.00 0.00 N ATOM 881 CZ ARG A 58 1.076 5.571 12.534 1.00 0.00 C ATOM 882 NH1 ARG A 58 1.231 6.849 12.907 1.00 0.00 N ATOM 883 NH2 ARG A 58 -0.110 5.146 12.078 1.00 0.00 N ATOM 0 H ARG A 58 5.301 2.937 11.020 1.00 0.00 H new ATOM 0 HA ARG A 58 5.637 5.403 9.855 1.00 0.00 H new ATOM 0 HB2 ARG A 58 5.784 4.329 12.654 1.00 0.00 H new ATOM 0 HB3 ARG A 58 6.372 5.958 12.387 1.00 0.00 H new ATOM 0 HG2 ARG A 58 4.270 6.792 12.063 1.00 0.00 H new ATOM 0 HG3 ARG A 58 3.807 5.468 11.013 1.00 0.00 H new ATOM 0 HD2 ARG A 58 3.963 4.209 13.497 1.00 0.00 H new ATOM 0 HD3 ARG A 58 3.367 5.800 13.930 1.00 0.00 H new ATOM 0 HE ARG A 58 1.952 3.753 12.327 1.00 0.00 H new ATOM 0 HH11 ARG A 58 2.133 7.173 13.255 1.00 0.00 H new ATOM 0 HH12 ARG A 58 0.447 7.498 12.843 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -0.229 4.173 11.795 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -0.894 5.795 12.014 1.00 0.00 H new ATOM 897 N THR A 59 8.439 4.171 11.105 1.00 0.00 N ATOM 898 CA THR A 59 9.888 4.281 11.075 1.00 0.00 C ATOM 899 C THR A 59 10.397 4.216 9.633 1.00 0.00 C ATOM 900 O THR A 59 11.105 5.114 9.180 1.00 0.00 O ATOM 901 CB THR A 59 10.465 3.185 11.973 1.00 0.00 C ATOM 902 OG1 THR A 59 10.287 3.689 13.294 1.00 0.00 O ATOM 903 CG2 THR A 59 11.981 3.047 11.828 1.00 0.00 C ATOM 0 H THR A 59 8.082 3.389 11.654 1.00 0.00 H new ATOM 0 HA THR A 59 10.220 5.245 11.461 1.00 0.00 H new ATOM 0 HB THR A 59 9.990 2.233 11.735 1.00 0.00 H new ATOM 0 HG1 THR A 59 10.633 3.039 13.941 1.00 0.00 H new ATOM 0 HG21 THR A 59 12.339 2.256 12.487 1.00 0.00 H new ATOM 0 HG22 THR A 59 12.227 2.798 10.796 1.00 0.00 H new ATOM 0 HG23 THR A 59 12.460 3.988 12.098 1.00 0.00 H new ATOM 911 N LEU A 60 10.017 3.145 8.953 1.00 0.00 N ATOM 912 CA LEU A 60 10.426 2.951 7.572 1.00 0.00 C ATOM 913 C LEU A 60 10.180 4.240 6.786 1.00 0.00 C ATOM 914 O LEU A 60 11.109 4.812 6.218 1.00 0.00 O ATOM 915 CB LEU A 60 9.733 1.725 6.975 1.00 0.00 C ATOM 916 CG LEU A 60 10.190 0.368 7.514 1.00 0.00 C ATOM 917 CD1 LEU A 60 9.221 -0.741 7.097 1.00 0.00 C ATOM 918 CD2 LEU A 60 11.627 0.064 7.087 1.00 0.00 C ATOM 0 H LEU A 60 9.430 2.402 9.332 1.00 0.00 H new ATOM 0 HA LEU A 60 11.494 2.743 7.517 1.00 0.00 H new ATOM 0 HB2 LEU A 60 8.661 1.819 7.146 1.00 0.00 H new ATOM 0 HB3 LEU A 60 9.886 1.735 5.896 1.00 0.00 H new ATOM 0 HG LEU A 60 10.181 0.412 8.603 1.00 0.00 H new ATOM 0 HD11 LEU A 60 9.568 -1.695 7.493 1.00 0.00 H new ATOM 0 HD12 LEU A 60 8.228 -0.524 7.492 1.00 0.00 H new ATOM 0 HD13 LEU A 60 9.175 -0.794 6.009 1.00 0.00 H new ATOM 0 HD21 LEU A 60 11.927 -0.906 7.483 1.00 0.00 H new ATOM 0 HD22 LEU A 60 11.687 0.046 5.999 1.00 0.00 H new ATOM 0 HD23 LEU A 60 12.293 0.836 7.474 1.00 0.00 H new ATOM 930 N ALA A 61 8.923 4.661 6.779 1.00 0.00 N ATOM 931 CA ALA A 61 8.543 5.872 6.072 1.00 0.00 C ATOM 932 C ALA A 61 9.461 7.018 6.502 1.00 0.00 C ATOM 933 O ALA A 61 10.160 7.602 5.675 1.00 0.00 O ATOM 934 CB ALA A 61 7.067 6.176 6.338 1.00 0.00 C ATOM 0 H ALA A 61 8.155 4.185 7.252 1.00 0.00 H new ATOM 0 HA ALA A 61 8.661 5.742 4.996 1.00 0.00 H new ATOM 0 HB1 ALA A 61 6.781 7.085 5.808 1.00 0.00 H new ATOM 0 HB2 ALA A 61 6.455 5.344 5.988 1.00 0.00 H new ATOM 0 HB3 ALA A 61 6.911 6.316 7.408 1.00 0.00 H new ATOM 940 N GLY A 62 9.431 7.305 7.795 1.00 0.00 N ATOM 941 CA GLY A 62 10.252 8.370 8.344 1.00 0.00 C ATOM 942 C GLY A 62 9.391 9.410 9.065 1.00 0.00 C ATOM 943 O GLY A 62 9.638 10.610 8.954 1.00 0.00 O ATOM 0 H GLY A 62 8.851 6.818 8.478 1.00 0.00 H new ATOM 0 HA2 GLY A 62 10.981 7.951 9.038 1.00 0.00 H new ATOM 0 HA3 GLY A 62 10.814 8.850 7.543 1.00 0.00 H new ATOM 947 N ASN A 63 8.399 8.912 9.787 1.00 0.00 N ATOM 948 CA ASN A 63 7.500 9.782 10.525 1.00 0.00 C ATOM 949 C ASN A 63 6.624 8.937 11.452 1.00 0.00 C ATOM 950 O ASN A 63 6.063 7.926 11.030 1.00 0.00 O ATOM 951 CB ASN A 63 6.579 10.554 9.578 1.00 0.00 C ATOM 952 CG ASN A 63 6.119 11.869 10.211 1.00 0.00 C ATOM 953 OD1 ASN A 63 6.904 12.650 10.721 1.00 0.00 O ATOM 954 ND2 ASN A 63 4.805 12.068 10.150 1.00 0.00 N ATOM 0 H ASN A 63 8.198 7.916 9.877 1.00 0.00 H new ATOM 0 HA ASN A 63 8.106 10.487 11.093 1.00 0.00 H new ATOM 0 HB2 ASN A 63 7.102 10.759 8.644 1.00 0.00 H new ATOM 0 HB3 ASN A 63 5.711 9.943 9.330 1.00 0.00 H new ATOM 0 HD21 ASN A 63 4.399 12.916 10.545 1.00 0.00 H new ATOM 0 HD22 ASN A 63 4.204 11.372 9.708 1.00 0.00 H new ATOM 961 N PRO A 64 6.532 9.392 12.730 1.00 0.00 N ATOM 962 CA PRO A 64 5.734 8.688 13.720 1.00 0.00 C ATOM 963 C PRO A 64 4.240 8.928 13.490 1.00 0.00 C ATOM 964 O PRO A 64 3.417 8.061 13.780 1.00 0.00 O ATOM 965 CB PRO A 64 6.220 9.212 15.061 1.00 0.00 C ATOM 966 CG PRO A 64 6.939 10.518 14.764 1.00 0.00 C ATOM 967 CD PRO A 64 7.183 10.584 13.265 1.00 0.00 C ATOM 0 HA PRO A 64 5.852 7.606 13.664 1.00 0.00 H new ATOM 0 HB2 PRO A 64 5.385 9.372 15.743 1.00 0.00 H new ATOM 0 HB3 PRO A 64 6.890 8.498 15.540 1.00 0.00 H new ATOM 0 HG2 PRO A 64 6.339 11.367 15.091 1.00 0.00 H new ATOM 0 HG3 PRO A 64 7.883 10.566 15.307 1.00 0.00 H new ATOM 0 HD2 PRO A 64 6.761 11.492 12.835 1.00 0.00 H new ATOM 0 HD3 PRO A 64 8.249 10.589 13.037 1.00 0.00 H new ATOM 975 N LYS A 65 3.935 10.108 12.971 1.00 0.00 N ATOM 976 CA LYS A 65 2.555 10.472 12.700 1.00 0.00 C ATOM 977 C LYS A 65 2.222 10.140 11.244 1.00 0.00 C ATOM 978 O LYS A 65 1.531 10.904 10.571 1.00 0.00 O ATOM 979 CB LYS A 65 2.305 11.936 13.069 1.00 0.00 C ATOM 980 CG LYS A 65 1.730 12.054 14.482 1.00 0.00 C ATOM 981 CD LYS A 65 0.221 12.306 14.441 1.00 0.00 C ATOM 982 CE LYS A 65 -0.082 13.805 14.389 1.00 0.00 C ATOM 983 NZ LYS A 65 -1.529 14.034 14.179 1.00 0.00 N ATOM 0 H LYS A 65 4.620 10.824 12.731 1.00 0.00 H new ATOM 0 HA LYS A 65 1.877 9.889 13.324 1.00 0.00 H new ATOM 0 HB2 LYS A 65 3.238 12.496 13.004 1.00 0.00 H new ATOM 0 HB3 LYS A 65 1.615 12.383 12.353 1.00 0.00 H new ATOM 0 HG2 LYS A 65 1.935 11.140 15.039 1.00 0.00 H new ATOM 0 HG3 LYS A 65 2.224 12.868 15.013 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -0.210 11.813 13.569 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -0.249 11.866 15.321 1.00 0.00 H new ATOM 0 HE2 LYS A 65 0.236 14.279 15.318 1.00 0.00 H new ATOM 0 HE3 LYS A 65 0.486 14.269 13.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -1.718 15.056 14.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -1.823 13.599 13.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -2.065 13.608 14.962 1.00 0.00 H new ATOM 997 N ALA A 66 2.728 8.999 10.800 1.00 0.00 N ATOM 998 CA ALA A 66 2.493 8.556 9.436 1.00 0.00 C ATOM 999 C ALA A 66 1.215 7.715 9.391 1.00 0.00 C ATOM 1000 O ALA A 66 0.676 7.341 10.432 1.00 0.00 O ATOM 1001 CB ALA A 66 3.715 7.786 8.931 1.00 0.00 C ATOM 0 H ALA A 66 3.300 8.368 11.361 1.00 0.00 H new ATOM 0 HA ALA A 66 2.350 9.410 8.774 1.00 0.00 H new ATOM 0 HB1 ALA A 66 3.538 7.454 7.908 1.00 0.00 H new ATOM 0 HB2 ALA A 66 4.590 8.435 8.956 1.00 0.00 H new ATOM 0 HB3 ALA A 66 3.888 6.919 9.569 1.00 0.00 H new ATOM 1007 N THR A 67 0.767 7.443 8.175 1.00 0.00 N ATOM 1008 CA THR A 67 -0.438 6.653 7.980 1.00 0.00 C ATOM 1009 C THR A 67 -0.425 5.992 6.600 1.00 0.00 C ATOM 1010 O THR A 67 0.313 6.415 5.712 1.00 0.00 O ATOM 1011 CB THR A 67 -1.644 7.568 8.205 1.00 0.00 C ATOM 1012 OG1 THR A 67 -1.352 8.725 7.426 1.00 0.00 O ATOM 1013 CG2 THR A 67 -1.720 8.094 9.640 1.00 0.00 C ATOM 0 H THR A 67 1.216 7.755 7.314 1.00 0.00 H new ATOM 0 HA THR A 67 -0.495 5.834 8.697 1.00 0.00 H new ATOM 0 HB THR A 67 -2.560 7.026 7.968 1.00 0.00 H new ATOM 0 HG1 THR A 67 -2.084 9.371 7.513 1.00 0.00 H new ATOM 0 HG21 THR A 67 -2.593 8.738 9.746 1.00 0.00 H new ATOM 0 HG22 THR A 67 -1.802 7.255 10.331 1.00 0.00 H new ATOM 0 HG23 THR A 67 -0.819 8.664 9.867 1.00 0.00 H new ATOM 1021 N PRO A 68 -1.273 4.939 6.460 1.00 0.00 N ATOM 1022 CA PRO A 68 -1.367 4.215 5.204 1.00 0.00 C ATOM 1023 C PRO A 68 -2.143 5.023 4.162 1.00 0.00 C ATOM 1024 O PRO A 68 -2.793 6.012 4.497 1.00 0.00 O ATOM 1025 CB PRO A 68 -2.040 2.899 5.557 1.00 0.00 C ATOM 1026 CG PRO A 68 -2.716 3.123 6.900 1.00 0.00 C ATOM 1027 CD PRO A 68 -2.163 4.410 7.490 1.00 0.00 C ATOM 0 HA PRO A 68 -0.393 4.039 4.747 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -2.767 2.616 4.796 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -1.311 2.091 5.617 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -3.797 3.193 6.777 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -2.525 2.283 7.568 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -2.962 5.114 7.722 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -1.625 4.220 8.419 1.00 0.00 H new ATOM 1035 N PRO A 69 -2.048 4.560 2.887 1.00 0.00 N ATOM 1036 CA PRO A 69 -1.257 3.381 2.576 1.00 0.00 C ATOM 1037 C PRO A 69 0.239 3.700 2.609 1.00 0.00 C ATOM 1038 O PRO A 69 0.631 4.822 2.927 1.00 0.00 O ATOM 1039 CB PRO A 69 -1.739 2.934 1.206 1.00 0.00 C ATOM 1040 CG PRO A 69 -2.445 4.136 0.600 1.00 0.00 C ATOM 1041 CD PRO A 69 -2.688 5.143 1.712 1.00 0.00 C ATOM 0 HA PRO A 69 -1.385 2.584 3.308 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -0.903 2.617 0.582 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -2.416 2.084 1.288 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -1.837 4.578 -0.189 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -3.388 3.835 0.145 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -2.258 6.114 1.468 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -3.754 5.300 1.878 1.00 0.00 H new ATOM 1049 N GLN A 70 1.034 2.694 2.276 1.00 0.00 N ATOM 1050 CA GLN A 70 2.478 2.853 2.264 1.00 0.00 C ATOM 1051 C GLN A 70 3.120 1.799 1.359 1.00 0.00 C ATOM 1052 O GLN A 70 3.042 0.604 1.640 1.00 0.00 O ATOM 1053 CB GLN A 70 3.050 2.781 3.681 1.00 0.00 C ATOM 1054 CG GLN A 70 3.850 4.042 4.014 1.00 0.00 C ATOM 1055 CD GLN A 70 2.969 5.084 4.705 1.00 0.00 C ATOM 1056 OE1 GLN A 70 3.159 6.327 4.271 1.00 0.00 O flip ATOM 1057 NE2 GLN A 70 2.170 4.780 5.575 1.00 0.00 N flip ATOM 0 H GLN A 70 0.705 1.765 2.012 1.00 0.00 H new ATOM 0 HA GLN A 70 2.712 3.839 1.864 1.00 0.00 H new ATOM 0 HB2 GLN A 70 2.239 2.661 4.399 1.00 0.00 H new ATOM 0 HB3 GLN A 70 3.691 1.904 3.774 1.00 0.00 H new ATOM 0 HG2 GLN A 70 4.689 3.784 4.660 1.00 0.00 H new ATOM 0 HG3 GLN A 70 4.269 4.463 3.100 1.00 0.00 H new ATOM 0 HE21 GLN A 70 2.074 3.806 5.861 1.00 0.00 H new ATOM 0 HE22 GLN A 70 1.598 5.500 6.016 1.00 0.00 H new ATOM 1066 N ILE A 71 3.741 2.281 0.292 1.00 0.00 N ATOM 1067 CA ILE A 71 4.396 1.395 -0.655 1.00 0.00 C ATOM 1068 C ILE A 71 5.862 1.221 -0.254 1.00 0.00 C ATOM 1069 O ILE A 71 6.546 2.196 0.053 1.00 0.00 O ATOM 1070 CB ILE A 71 4.207 1.906 -2.085 1.00 0.00 C ATOM 1071 CG1 ILE A 71 2.723 1.982 -2.448 1.00 0.00 C ATOM 1072 CG2 ILE A 71 4.997 1.054 -3.081 1.00 0.00 C ATOM 1073 CD1 ILE A 71 2.246 3.435 -2.505 1.00 0.00 C ATOM 0 H ILE A 71 3.804 3.273 0.063 1.00 0.00 H new ATOM 0 HA ILE A 71 3.938 0.406 -0.631 1.00 0.00 H new ATOM 0 HB ILE A 71 4.605 2.919 -2.141 1.00 0.00 H new ATOM 0 HG12 ILE A 71 2.556 1.503 -3.413 1.00 0.00 H new ATOM 0 HG13 ILE A 71 2.136 1.432 -1.713 1.00 0.00 H new ATOM 0 HG21 ILE A 71 4.845 1.439 -4.090 1.00 0.00 H new ATOM 0 HG22 ILE A 71 6.058 1.094 -2.833 1.00 0.00 H new ATOM 0 HG23 ILE A 71 4.652 0.021 -3.031 1.00 0.00 H new ATOM 0 HD11 ILE A 71 1.188 3.461 -2.765 1.00 0.00 H new ATOM 0 HD12 ILE A 71 2.392 3.904 -1.532 1.00 0.00 H new ATOM 0 HD13 ILE A 71 2.818 3.976 -3.259 1.00 0.00 H new ATOM 1085 N VAL A 72 6.302 -0.029 -0.268 1.00 0.00 N ATOM 1086 CA VAL A 72 7.674 -0.344 0.091 1.00 0.00 C ATOM 1087 C VAL A 72 8.235 -1.364 -0.902 1.00 0.00 C ATOM 1088 O VAL A 72 7.515 -2.250 -1.361 1.00 0.00 O ATOM 1089 CB VAL A 72 7.738 -0.824 1.542 1.00 0.00 C ATOM 1090 CG1 VAL A 72 9.182 -0.845 2.049 1.00 0.00 C ATOM 1091 CG2 VAL A 72 6.853 0.038 2.444 1.00 0.00 C ATOM 0 H VAL A 72 5.732 -0.836 -0.523 1.00 0.00 H new ATOM 0 HA VAL A 72 8.299 0.547 0.030 1.00 0.00 H new ATOM 0 HB VAL A 72 7.356 -1.844 1.575 1.00 0.00 H new ATOM 0 HG11 VAL A 72 9.200 -1.190 3.083 1.00 0.00 H new ATOM 0 HG12 VAL A 72 9.775 -1.520 1.431 1.00 0.00 H new ATOM 0 HG13 VAL A 72 9.601 0.160 1.994 1.00 0.00 H new ATOM 0 HG21 VAL A 72 6.917 -0.325 3.470 1.00 0.00 H new ATOM 0 HG22 VAL A 72 7.191 1.073 2.403 1.00 0.00 H new ATOM 0 HG23 VAL A 72 5.820 -0.020 2.102 1.00 0.00 H new ATOM 1101 N ASN A 73 9.515 -1.207 -1.203 1.00 0.00 N ATOM 1102 CA ASN A 73 10.181 -2.103 -2.133 1.00 0.00 C ATOM 1103 C ASN A 73 11.355 -2.783 -1.426 1.00 0.00 C ATOM 1104 O ASN A 73 12.384 -2.156 -1.180 1.00 0.00 O ATOM 1105 CB ASN A 73 10.733 -1.337 -3.337 1.00 0.00 C ATOM 1106 CG ASN A 73 10.930 -2.268 -4.535 1.00 0.00 C ATOM 1107 OD1 ASN A 73 11.648 -3.253 -4.478 1.00 0.00 O ATOM 1108 ND2 ASN A 73 10.255 -1.903 -5.621 1.00 0.00 N ATOM 0 H ASN A 73 10.109 -0.472 -0.819 1.00 0.00 H new ATOM 0 HA ASN A 73 9.451 -2.836 -2.477 1.00 0.00 H new ATOM 0 HB2 ASN A 73 10.049 -0.532 -3.606 1.00 0.00 H new ATOM 0 HB3 ASN A 73 11.683 -0.872 -3.073 1.00 0.00 H new ATOM 0 HD21 ASN A 73 10.321 -2.459 -6.473 1.00 0.00 H new ATOM 0 HD22 ASN A 73 9.671 -1.067 -5.602 1.00 0.00 H new ATOM 1115 N GLY A 74 11.162 -4.058 -1.120 1.00 0.00 N ATOM 1116 CA GLY A 74 12.192 -4.830 -0.446 1.00 0.00 C ATOM 1117 C GLY A 74 12.614 -4.158 0.862 1.00 0.00 C ATOM 1118 O GLY A 74 12.078 -4.470 1.925 1.00 0.00 O ATOM 0 H GLY A 74 10.308 -4.575 -1.327 1.00 0.00 H new ATOM 0 HA2 GLY A 74 11.822 -5.834 -0.240 1.00 0.00 H new ATOM 0 HA3 GLY A 74 13.058 -4.937 -1.100 1.00 0.00 H new ATOM 1122 N ASN A 75 13.570 -3.249 0.742 1.00 0.00 N ATOM 1123 CA ASN A 75 14.070 -2.531 1.902 1.00 0.00 C ATOM 1124 C ASN A 75 14.132 -1.036 1.582 1.00 0.00 C ATOM 1125 O ASN A 75 14.859 -0.288 2.235 1.00 0.00 O ATOM 1126 CB ASN A 75 15.480 -2.995 2.272 1.00 0.00 C ATOM 1127 CG ASN A 75 15.434 -4.098 3.330 1.00 0.00 C ATOM 1128 OD1 ASN A 75 14.806 -5.131 3.161 1.00 0.00 O ATOM 1129 ND2 ASN A 75 16.132 -3.824 4.428 1.00 0.00 N ATOM 0 H ASN A 75 14.012 -2.993 -0.141 1.00 0.00 H new ATOM 0 HA ASN A 75 13.396 -2.727 2.736 1.00 0.00 H new ATOM 0 HB2 ASN A 75 15.991 -3.361 1.382 1.00 0.00 H new ATOM 0 HB3 ASN A 75 16.058 -2.150 2.647 1.00 0.00 H new ATOM 0 HD21 ASN A 75 16.164 -4.498 5.193 1.00 0.00 H new ATOM 0 HD22 ASN A 75 16.635 -2.940 4.505 1.00 0.00 H new ATOM 1136 N HIS A 76 13.361 -0.645 0.578 1.00 0.00 N ATOM 1137 CA HIS A 76 13.320 0.747 0.164 1.00 0.00 C ATOM 1138 C HIS A 76 11.920 1.314 0.409 1.00 0.00 C ATOM 1139 O HIS A 76 10.933 0.582 0.360 1.00 0.00 O ATOM 1140 CB HIS A 76 13.774 0.896 -1.289 1.00 0.00 C ATOM 1141 CG HIS A 76 15.181 0.410 -1.545 1.00 0.00 C ATOM 1142 ND1 HIS A 76 16.302 1.122 -1.155 1.00 0.00 N ATOM 1143 CD2 HIS A 76 15.636 -0.721 -2.155 1.00 0.00 C ATOM 1144 CE1 HIS A 76 17.378 0.440 -1.519 1.00 0.00 C ATOM 1145 NE2 HIS A 76 16.963 -0.702 -2.140 1.00 0.00 N ATOM 0 H HIS A 76 12.760 -1.268 0.039 1.00 0.00 H new ATOM 0 HA HIS A 76 14.020 1.329 0.763 1.00 0.00 H new ATOM 0 HB2 HIS A 76 13.087 0.345 -1.932 1.00 0.00 H new ATOM 0 HB3 HIS A 76 13.705 1.946 -1.575 1.00 0.00 H new ATOM 0 HD2 HIS A 76 15.021 -1.501 -2.579 1.00 0.00 H new ATOM 0 HE1 HIS A 76 18.403 0.736 -1.353 1.00 0.00 H new ATOM 0 HE2 HIS A 76 17.572 -1.422 -2.529 1.00 0.00 H new ATOM 1153 N TYR A 77 11.879 2.613 0.667 1.00 0.00 N ATOM 1154 CA TYR A 77 10.617 3.287 0.919 1.00 0.00 C ATOM 1155 C TYR A 77 10.208 4.151 -0.276 1.00 0.00 C ATOM 1156 O TYR A 77 10.746 5.240 -0.471 1.00 0.00 O ATOM 1157 CB TYR A 77 10.856 4.191 2.130 1.00 0.00 C ATOM 1158 CG TYR A 77 9.706 5.157 2.421 1.00 0.00 C ATOM 1159 CD1 TYR A 77 8.415 4.681 2.531 1.00 0.00 C ATOM 1160 CD2 TYR A 77 9.959 6.505 2.575 1.00 0.00 C ATOM 1161 CE1 TYR A 77 7.333 5.590 2.805 1.00 0.00 C ATOM 1162 CE2 TYR A 77 8.877 7.414 2.849 1.00 0.00 C ATOM 1163 CZ TYR A 77 7.617 6.912 2.951 1.00 0.00 C ATOM 1164 OH TYR A 77 6.595 7.771 3.210 1.00 0.00 O ATOM 0 H TYR A 77 12.700 3.217 0.707 1.00 0.00 H new ATOM 0 HA TYR A 77 9.822 2.561 1.090 1.00 0.00 H new ATOM 0 HB2 TYR A 77 11.025 3.568 3.008 1.00 0.00 H new ATOM 0 HB3 TYR A 77 11.768 4.766 1.967 1.00 0.00 H new ATOM 0 HD1 TYR A 77 8.217 3.626 2.411 1.00 0.00 H new ATOM 0 HD2 TYR A 77 10.969 6.878 2.490 1.00 0.00 H new ATOM 0 HE1 TYR A 77 6.318 5.230 2.893 1.00 0.00 H new ATOM 0 HE2 TYR A 77 9.062 8.471 2.971 1.00 0.00 H new ATOM 0 HH TYR A 77 6.946 8.682 3.291 1.00 0.00 H new ATOM 1174 N CYS A 78 9.261 3.633 -1.043 1.00 0.00 N ATOM 1175 CA CYS A 78 8.774 4.344 -2.213 1.00 0.00 C ATOM 1176 C CYS A 78 8.255 5.712 -1.763 1.00 0.00 C ATOM 1177 O CYS A 78 8.862 6.739 -2.062 1.00 0.00 O ATOM 1178 CB CYS A 78 7.703 3.544 -2.957 1.00 0.00 C ATOM 1179 SG CYS A 78 8.295 1.840 -3.263 1.00 0.00 S ATOM 0 H CYS A 78 8.818 2.729 -0.878 1.00 0.00 H new ATOM 0 HA CYS A 78 9.590 4.481 -2.923 1.00 0.00 H new ATOM 0 HB2 CYS A 78 6.784 3.519 -2.372 1.00 0.00 H new ATOM 0 HB3 CYS A 78 7.465 4.031 -3.903 1.00 0.00 H new ATOM 0 HG CYS A 78 8.473 1.232 -2.128 1.00 0.00 H new ATOM 1185 N GLY A 79 7.138 5.680 -1.052 1.00 0.00 N ATOM 1186 CA GLY A 79 6.531 6.904 -0.558 1.00 0.00 C ATOM 1187 C GLY A 79 5.121 6.641 -0.025 1.00 0.00 C ATOM 1188 O GLY A 79 4.837 5.555 0.479 1.00 0.00 O ATOM 0 H GLY A 79 6.637 4.826 -0.806 1.00 0.00 H new ATOM 0 HA2 GLY A 79 7.150 7.327 0.233 1.00 0.00 H new ATOM 0 HA3 GLY A 79 6.489 7.642 -1.359 1.00 0.00 H new ATOM 1192 N ASP A 80 4.275 7.652 -0.155 1.00 0.00 N ATOM 1193 CA ASP A 80 2.902 7.543 0.308 1.00 0.00 C ATOM 1194 C ASP A 80 1.972 7.397 -0.899 1.00 0.00 C ATOM 1195 O ASP A 80 2.435 7.273 -2.032 1.00 0.00 O ATOM 1196 CB ASP A 80 2.480 8.794 1.081 1.00 0.00 C ATOM 1197 CG ASP A 80 2.312 10.054 0.229 1.00 0.00 C ATOM 1198 OD1 ASP A 80 2.655 9.979 -0.970 1.00 0.00 O ATOM 1199 OD2 ASP A 80 1.842 11.064 0.797 1.00 0.00 O ATOM 0 H ASP A 80 4.514 8.551 -0.574 1.00 0.00 H new ATOM 0 HA ASP A 80 2.835 6.675 0.963 1.00 0.00 H new ATOM 0 HB2 ASP A 80 1.538 8.588 1.589 1.00 0.00 H new ATOM 0 HB3 ASP A 80 3.222 8.993 1.854 1.00 0.00 H new ATOM 1204 N TYR A 81 0.678 7.416 -0.614 1.00 0.00 N ATOM 1205 CA TYR A 81 -0.320 7.288 -1.662 1.00 0.00 C ATOM 1206 C TYR A 81 -0.145 8.376 -2.723 1.00 0.00 C ATOM 1207 O TYR A 81 -0.200 8.096 -3.920 1.00 0.00 O ATOM 1208 CB TYR A 81 -1.676 7.473 -0.977 1.00 0.00 C ATOM 1209 CG TYR A 81 -2.810 7.846 -1.934 1.00 0.00 C ATOM 1210 CD1 TYR A 81 -3.061 9.172 -2.223 1.00 0.00 C ATOM 1211 CD2 TYR A 81 -3.582 6.856 -2.508 1.00 0.00 C ATOM 1212 CE1 TYR A 81 -4.129 9.523 -3.123 1.00 0.00 C ATOM 1213 CE2 TYR A 81 -4.650 7.207 -3.408 1.00 0.00 C ATOM 1214 CZ TYR A 81 -4.870 8.523 -3.672 1.00 0.00 C ATOM 1215 OH TYR A 81 -5.879 8.854 -4.522 1.00 0.00 O ATOM 0 H TYR A 81 0.298 7.518 0.327 1.00 0.00 H new ATOM 0 HA TYR A 81 -0.231 6.323 -2.161 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -1.939 6.550 -0.460 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -1.585 8.249 -0.217 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -2.457 9.946 -1.774 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -3.385 5.818 -2.282 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -4.337 10.557 -3.357 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -5.262 6.443 -3.863 1.00 0.00 H new ATOM 0 HH TYR A 81 -5.833 8.287 -5.320 1.00 0.00 H new ATOM 1225 N GLU A 82 0.063 9.594 -2.246 1.00 0.00 N ATOM 1226 CA GLU A 82 0.246 10.726 -3.139 1.00 0.00 C ATOM 1227 C GLU A 82 1.447 10.488 -4.058 1.00 0.00 C ATOM 1228 O GLU A 82 1.300 10.448 -5.278 1.00 0.00 O ATOM 1229 CB GLU A 82 0.409 12.026 -2.350 1.00 0.00 C ATOM 1230 CG GLU A 82 -0.941 12.525 -1.830 1.00 0.00 C ATOM 1231 CD GLU A 82 -1.305 13.874 -2.453 1.00 0.00 C ATOM 1232 OE1 GLU A 82 -0.544 14.835 -2.210 1.00 0.00 O ATOM 1233 OE2 GLU A 82 -2.336 13.913 -3.159 1.00 0.00 O ATOM 0 H GLU A 82 0.109 9.822 -1.253 1.00 0.00 H new ATOM 0 HA GLU A 82 -0.646 10.824 -3.757 1.00 0.00 H new ATOM 0 HB2 GLU A 82 1.088 11.865 -1.513 1.00 0.00 H new ATOM 0 HB3 GLU A 82 0.862 12.787 -2.986 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -1.716 11.794 -2.060 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -0.904 12.620 -0.745 1.00 0.00 H new ATOM 1240 N LEU A 83 2.607 10.337 -3.435 1.00 0.00 N ATOM 1241 CA LEU A 83 3.831 10.105 -4.181 1.00 0.00 C ATOM 1242 C LEU A 83 3.580 9.036 -5.247 1.00 0.00 C ATOM 1243 O LEU A 83 4.022 9.173 -6.386 1.00 0.00 O ATOM 1244 CB LEU A 83 4.982 9.767 -3.231 1.00 0.00 C ATOM 1245 CG LEU A 83 5.877 10.937 -2.818 1.00 0.00 C ATOM 1246 CD1 LEU A 83 5.133 11.892 -1.882 1.00 0.00 C ATOM 1247 CD2 LEU A 83 7.186 10.437 -2.205 1.00 0.00 C ATOM 0 H LEU A 83 2.724 10.371 -2.422 1.00 0.00 H new ATOM 0 HA LEU A 83 4.135 11.012 -4.704 1.00 0.00 H new ATOM 0 HB2 LEU A 83 4.563 9.320 -2.329 1.00 0.00 H new ATOM 0 HB3 LEU A 83 5.605 9.008 -3.703 1.00 0.00 H new ATOM 0 HG LEU A 83 6.137 11.501 -3.714 1.00 0.00 H new ATOM 0 HD11 LEU A 83 5.791 12.715 -1.603 1.00 0.00 H new ATOM 0 HD12 LEU A 83 4.253 12.287 -2.390 1.00 0.00 H new ATOM 0 HD13 LEU A 83 4.824 11.355 -0.985 1.00 0.00 H new ATOM 0 HD21 LEU A 83 7.803 11.289 -1.920 1.00 0.00 H new ATOM 0 HD22 LEU A 83 6.968 9.836 -1.322 1.00 0.00 H new ATOM 0 HD23 LEU A 83 7.721 9.829 -2.935 1.00 0.00 H new ATOM 1259 N PHE A 84 2.870 7.994 -4.838 1.00 0.00 N ATOM 1260 CA PHE A 84 2.554 6.902 -5.743 1.00 0.00 C ATOM 1261 C PHE A 84 1.604 7.365 -6.850 1.00 0.00 C ATOM 1262 O PHE A 84 1.960 7.343 -8.027 1.00 0.00 O ATOM 1263 CB PHE A 84 1.861 5.820 -4.912 1.00 0.00 C ATOM 1264 CG PHE A 84 1.171 4.740 -5.749 1.00 0.00 C ATOM 1265 CD1 PHE A 84 1.858 3.628 -6.123 1.00 0.00 C ATOM 1266 CD2 PHE A 84 -0.129 4.893 -6.118 1.00 0.00 C ATOM 1267 CE1 PHE A 84 1.218 2.626 -6.900 1.00 0.00 C ATOM 1268 CE2 PHE A 84 -0.769 3.891 -6.895 1.00 0.00 C ATOM 1269 CZ PHE A 84 -0.082 2.779 -7.269 1.00 0.00 C ATOM 0 H PHE A 84 2.505 7.883 -3.892 1.00 0.00 H new ATOM 0 HA PHE A 84 3.465 6.533 -6.214 1.00 0.00 H new ATOM 0 HB2 PHE A 84 2.598 5.347 -4.263 1.00 0.00 H new ATOM 0 HB3 PHE A 84 1.122 6.291 -4.264 1.00 0.00 H new ATOM 0 HD1 PHE A 84 2.890 3.507 -5.829 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -0.675 5.776 -5.820 1.00 0.00 H new ATOM 0 HE1 PHE A 84 1.764 1.743 -7.198 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -1.801 4.012 -7.189 1.00 0.00 H new ATOM 0 HZ PHE A 84 -0.569 2.017 -7.859 1.00 0.00 H new ATOM 1279 N VAL A 85 0.415 7.773 -6.433 1.00 0.00 N ATOM 1280 CA VAL A 85 -0.588 8.240 -7.375 1.00 0.00 C ATOM 1281 C VAL A 85 0.055 9.226 -8.352 1.00 0.00 C ATOM 1282 O VAL A 85 -0.184 9.157 -9.556 1.00 0.00 O ATOM 1283 CB VAL A 85 -1.777 8.837 -6.619 1.00 0.00 C ATOM 1284 CG1 VAL A 85 -1.679 10.363 -6.560 1.00 0.00 C ATOM 1285 CG2 VAL A 85 -3.102 8.397 -7.245 1.00 0.00 C ATOM 0 H VAL A 85 0.123 7.790 -5.456 1.00 0.00 H new ATOM 0 HA VAL A 85 -0.977 7.408 -7.962 1.00 0.00 H new ATOM 0 HB VAL A 85 -1.748 8.459 -5.597 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -2.536 10.762 -6.017 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -0.760 10.649 -6.048 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -1.671 10.766 -7.573 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -3.931 8.835 -6.689 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -3.144 8.732 -8.282 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -3.177 7.310 -7.211 1.00 0.00 H new ATOM 1295 N GLU A 86 0.860 10.120 -7.796 1.00 0.00 N ATOM 1296 CA GLU A 86 1.540 11.119 -8.603 1.00 0.00 C ATOM 1297 C GLU A 86 2.258 10.453 -9.778 1.00 0.00 C ATOM 1298 O GLU A 86 1.891 10.661 -10.934 1.00 0.00 O ATOM 1299 CB GLU A 86 2.517 11.937 -7.756 1.00 0.00 C ATOM 1300 CG GLU A 86 1.841 13.191 -7.197 1.00 0.00 C ATOM 1301 CD GLU A 86 2.785 13.951 -6.262 1.00 0.00 C ATOM 1302 OE1 GLU A 86 3.967 14.094 -6.643 1.00 0.00 O ATOM 1303 OE2 GLU A 86 2.302 14.372 -5.189 1.00 0.00 O ATOM 0 H GLU A 86 1.056 10.173 -6.797 1.00 0.00 H new ATOM 0 HA GLU A 86 0.793 11.806 -9.001 1.00 0.00 H new ATOM 0 HB2 GLU A 86 2.893 11.326 -6.936 1.00 0.00 H new ATOM 0 HB3 GLU A 86 3.378 12.222 -8.361 1.00 0.00 H new ATOM 0 HG2 GLU A 86 1.535 13.840 -8.017 1.00 0.00 H new ATOM 0 HG3 GLU A 86 0.936 12.911 -6.658 1.00 0.00 H new ATOM 1310 N ALA A 87 3.269 9.664 -9.443 1.00 0.00 N ATOM 1311 CA ALA A 87 4.041 8.966 -10.456 1.00 0.00 C ATOM 1312 C ALA A 87 3.088 8.252 -11.416 1.00 0.00 C ATOM 1313 O ALA A 87 3.165 8.442 -12.629 1.00 0.00 O ATOM 1314 CB ALA A 87 5.018 8.002 -9.779 1.00 0.00 C ATOM 0 H ALA A 87 3.571 9.493 -8.484 1.00 0.00 H new ATOM 0 HA ALA A 87 4.631 9.671 -11.042 1.00 0.00 H new ATOM 0 HB1 ALA A 87 5.598 7.478 -10.539 1.00 0.00 H new ATOM 0 HB2 ALA A 87 5.692 8.562 -9.131 1.00 0.00 H new ATOM 0 HB3 ALA A 87 4.461 7.278 -9.184 1.00 0.00 H new ATOM 1320 N VAL A 88 2.212 7.444 -10.837 1.00 0.00 N ATOM 1321 CA VAL A 88 1.245 6.700 -11.626 1.00 0.00 C ATOM 1322 C VAL A 88 0.672 7.611 -12.714 1.00 0.00 C ATOM 1323 O VAL A 88 0.657 7.248 -13.889 1.00 0.00 O ATOM 1324 CB VAL A 88 0.169 6.109 -10.714 1.00 0.00 C ATOM 1325 CG1 VAL A 88 -1.008 5.571 -11.531 1.00 0.00 C ATOM 1326 CG2 VAL A 88 0.753 5.020 -9.811 1.00 0.00 C ATOM 0 H VAL A 88 2.152 7.288 -9.831 1.00 0.00 H new ATOM 0 HA VAL A 88 1.726 5.859 -12.126 1.00 0.00 H new ATOM 0 HB VAL A 88 -0.205 6.909 -10.075 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -1.759 5.156 -10.858 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -1.449 6.382 -12.111 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -0.656 4.791 -12.206 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -0.033 4.616 -9.173 1.00 0.00 H new ATOM 0 HG22 VAL A 88 1.167 4.221 -10.426 1.00 0.00 H new ATOM 0 HG23 VAL A 88 1.541 5.446 -9.190 1.00 0.00 H new ATOM 1336 N GLU A 89 0.214 8.778 -12.283 1.00 0.00 N ATOM 1337 CA GLU A 89 -0.358 9.744 -13.205 1.00 0.00 C ATOM 1338 C GLU A 89 0.691 10.191 -14.225 1.00 0.00 C ATOM 1339 O GLU A 89 0.393 10.326 -15.410 1.00 0.00 O ATOM 1340 CB GLU A 89 -0.938 10.943 -12.453 1.00 0.00 C ATOM 1341 CG GLU A 89 -2.101 10.517 -11.555 1.00 0.00 C ATOM 1342 CD GLU A 89 -3.375 11.289 -11.904 1.00 0.00 C ATOM 1343 OE1 GLU A 89 -3.644 11.423 -13.117 1.00 0.00 O ATOM 1344 OE2 GLU A 89 -4.051 11.729 -10.949 1.00 0.00 O ATOM 0 H GLU A 89 0.228 9.076 -11.308 1.00 0.00 H new ATOM 0 HA GLU A 89 -1.176 9.264 -13.742 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -0.159 11.409 -11.849 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -1.280 11.693 -13.166 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -2.278 9.447 -11.666 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -1.841 10.690 -10.511 1.00 0.00 H new ATOM 1351 N GLN A 90 1.899 10.409 -13.726 1.00 0.00 N ATOM 1352 CA GLN A 90 2.995 10.839 -14.578 1.00 0.00 C ATOM 1353 C GLN A 90 3.488 9.672 -15.436 1.00 0.00 C ATOM 1354 O GLN A 90 4.396 9.836 -16.250 1.00 0.00 O ATOM 1355 CB GLN A 90 4.136 11.430 -13.748 1.00 0.00 C ATOM 1356 CG GLN A 90 3.790 12.840 -13.265 1.00 0.00 C ATOM 1357 CD GLN A 90 3.593 13.791 -14.447 1.00 0.00 C ATOM 1358 OE1 GLN A 90 4.245 13.691 -15.473 1.00 0.00 O ATOM 1359 NE2 GLN A 90 2.660 14.718 -14.246 1.00 0.00 N ATOM 0 H GLN A 90 2.143 10.296 -12.742 1.00 0.00 H new ATOM 0 HA GLN A 90 2.629 11.623 -15.241 1.00 0.00 H new ATOM 0 HB2 GLN A 90 4.338 10.787 -12.891 1.00 0.00 H new ATOM 0 HB3 GLN A 90 5.047 11.460 -14.345 1.00 0.00 H new ATOM 0 HG2 GLN A 90 2.882 12.809 -12.663 1.00 0.00 H new ATOM 0 HG3 GLN A 90 4.587 13.214 -12.622 1.00 0.00 H new ATOM 0 HE21 GLN A 90 2.151 14.746 -13.363 1.00 0.00 H new ATOM 0 HE22 GLN A 90 2.454 15.401 -14.975 1.00 0.00 H new ATOM 1368 N ASP A 91 2.868 8.520 -15.226 1.00 0.00 N ATOM 1369 CA ASP A 91 3.233 7.327 -15.970 1.00 0.00 C ATOM 1370 C ASP A 91 4.693 6.975 -15.677 1.00 0.00 C ATOM 1371 O ASP A 91 5.386 6.425 -16.532 1.00 0.00 O ATOM 1372 CB ASP A 91 3.094 7.553 -17.477 1.00 0.00 C ATOM 1373 CG ASP A 91 1.724 7.202 -18.060 1.00 0.00 C ATOM 1374 OD1 ASP A 91 0.744 7.271 -17.287 1.00 0.00 O ATOM 1375 OD2 ASP A 91 1.687 6.874 -19.265 1.00 0.00 O ATOM 0 H ASP A 91 2.115 8.388 -14.551 1.00 0.00 H new ATOM 0 HA ASP A 91 2.566 6.521 -15.663 1.00 0.00 H new ATOM 0 HB2 ASP A 91 3.307 8.600 -17.693 1.00 0.00 H new ATOM 0 HB3 ASP A 91 3.853 6.961 -17.989 1.00 0.00 H new ATOM 1380 N THR A 92 5.117 7.306 -14.467 1.00 0.00 N ATOM 1381 CA THR A 92 6.482 7.032 -14.051 1.00 0.00 C ATOM 1382 C THR A 92 6.492 6.204 -12.764 1.00 0.00 C ATOM 1383 O THR A 92 7.415 6.313 -11.959 1.00 0.00 O ATOM 1384 CB THR A 92 7.214 8.370 -13.918 1.00 0.00 C ATOM 1385 OG1 THR A 92 6.312 9.186 -13.176 1.00 0.00 O ATOM 1386 CG2 THR A 92 7.356 9.095 -15.258 1.00 0.00 C ATOM 0 H THR A 92 4.539 7.762 -13.761 1.00 0.00 H new ATOM 0 HA THR A 92 7.007 6.430 -14.792 1.00 0.00 H new ATOM 0 HB THR A 92 8.202 8.203 -13.489 1.00 0.00 H new ATOM 0 HG1 THR A 92 6.707 10.073 -13.042 1.00 0.00 H new ATOM 0 HG21 THR A 92 7.882 10.038 -15.108 1.00 0.00 H new ATOM 0 HG22 THR A 92 7.920 8.471 -15.951 1.00 0.00 H new ATOM 0 HG23 THR A 92 6.367 9.293 -15.671 1.00 0.00 H new ATOM 1394 N LEU A 93 5.453 5.396 -12.611 1.00 0.00 N ATOM 1395 CA LEU A 93 5.330 4.550 -11.436 1.00 0.00 C ATOM 1396 C LEU A 93 6.522 3.592 -11.376 1.00 0.00 C ATOM 1397 O LEU A 93 6.867 3.092 -10.307 1.00 0.00 O ATOM 1398 CB LEU A 93 3.973 3.845 -11.424 1.00 0.00 C ATOM 1399 CG LEU A 93 3.795 2.751 -10.368 1.00 0.00 C ATOM 1400 CD1 LEU A 93 3.652 3.356 -8.970 1.00 0.00 C ATOM 1401 CD2 LEU A 93 2.621 1.835 -10.720 1.00 0.00 C ATOM 0 H LEU A 93 4.689 5.309 -13.281 1.00 0.00 H new ATOM 0 HA LEU A 93 5.358 5.152 -10.528 1.00 0.00 H new ATOM 0 HB2 LEU A 93 3.197 4.596 -11.275 1.00 0.00 H new ATOM 0 HB3 LEU A 93 3.806 3.404 -12.407 1.00 0.00 H new ATOM 0 HG LEU A 93 4.693 2.134 -10.361 1.00 0.00 H new ATOM 0 HD11 LEU A 93 3.527 2.557 -8.239 1.00 0.00 H new ATOM 0 HD12 LEU A 93 4.546 3.931 -8.729 1.00 0.00 H new ATOM 0 HD13 LEU A 93 2.781 4.011 -8.944 1.00 0.00 H new ATOM 0 HD21 LEU A 93 2.516 1.067 -9.954 1.00 0.00 H new ATOM 0 HD22 LEU A 93 1.704 2.422 -10.772 1.00 0.00 H new ATOM 0 HD23 LEU A 93 2.805 1.362 -11.685 1.00 0.00 H new ATOM 1413 N GLN A 94 7.117 3.365 -12.538 1.00 0.00 N ATOM 1414 CA GLN A 94 8.263 2.476 -12.630 1.00 0.00 C ATOM 1415 C GLN A 94 9.506 3.149 -12.044 1.00 0.00 C ATOM 1416 O GLN A 94 10.420 2.472 -11.578 1.00 0.00 O ATOM 1417 CB GLN A 94 8.504 2.043 -14.078 1.00 0.00 C ATOM 1418 CG GLN A 94 7.551 0.915 -14.479 1.00 0.00 C ATOM 1419 CD GLN A 94 7.197 1.000 -15.965 1.00 0.00 C ATOM 1420 OE1 GLN A 94 7.793 1.740 -16.731 1.00 0.00 O ATOM 1421 NE2 GLN A 94 6.195 0.204 -16.329 1.00 0.00 N ATOM 0 H GLN A 94 6.827 3.781 -13.423 1.00 0.00 H new ATOM 0 HA GLN A 94 8.052 1.580 -12.047 1.00 0.00 H new ATOM 0 HB2 GLN A 94 8.366 2.895 -14.744 1.00 0.00 H new ATOM 0 HB3 GLN A 94 9.536 1.711 -14.195 1.00 0.00 H new ATOM 0 HG2 GLN A 94 8.013 -0.049 -14.266 1.00 0.00 H new ATOM 0 HG3 GLN A 94 6.642 0.972 -13.881 1.00 0.00 H new ATOM 0 HE21 GLN A 94 5.739 -0.391 -15.637 1.00 0.00 H new ATOM 0 HE22 GLN A 94 5.883 0.189 -17.300 1.00 0.00 H new ATOM 1430 N GLU A 95 9.499 4.473 -12.088 1.00 0.00 N ATOM 1431 CA GLU A 95 10.614 5.245 -11.567 1.00 0.00 C ATOM 1432 C GLU A 95 10.489 5.402 -10.051 1.00 0.00 C ATOM 1433 O GLU A 95 11.435 5.127 -9.314 1.00 0.00 O ATOM 1434 CB GLU A 95 10.706 6.609 -12.254 1.00 0.00 C ATOM 1435 CG GLU A 95 11.494 6.512 -13.562 1.00 0.00 C ATOM 1436 CD GLU A 95 12.853 7.204 -13.435 1.00 0.00 C ATOM 1437 OE1 GLU A 95 13.610 6.806 -12.524 1.00 0.00 O ATOM 1438 OE2 GLU A 95 13.104 8.116 -14.253 1.00 0.00 O ATOM 0 H GLU A 95 8.739 5.031 -12.477 1.00 0.00 H new ATOM 0 HA GLU A 95 11.536 4.704 -11.782 1.00 0.00 H new ATOM 0 HB2 GLU A 95 9.704 6.987 -12.456 1.00 0.00 H new ATOM 0 HB3 GLU A 95 11.188 7.324 -11.587 1.00 0.00 H new ATOM 0 HG2 GLU A 95 11.638 5.465 -13.827 1.00 0.00 H new ATOM 0 HG3 GLU A 95 10.923 6.969 -14.370 1.00 0.00 H new ATOM 1445 N PHE A 96 9.313 5.844 -9.629 1.00 0.00 N ATOM 1446 CA PHE A 96 9.051 6.041 -8.213 1.00 0.00 C ATOM 1447 C PHE A 96 9.479 4.817 -7.401 1.00 0.00 C ATOM 1448 O PHE A 96 10.266 4.934 -6.463 1.00 0.00 O ATOM 1449 CB PHE A 96 7.542 6.238 -8.061 1.00 0.00 C ATOM 1450 CG PHE A 96 7.052 6.196 -6.612 1.00 0.00 C ATOM 1451 CD1 PHE A 96 7.574 7.051 -5.692 1.00 0.00 C ATOM 1452 CD2 PHE A 96 6.095 5.302 -6.243 1.00 0.00 C ATOM 1453 CE1 PHE A 96 7.120 7.012 -4.347 1.00 0.00 C ATOM 1454 CE2 PHE A 96 5.641 5.263 -4.899 1.00 0.00 C ATOM 1455 CZ PHE A 96 6.163 6.118 -3.979 1.00 0.00 C ATOM 0 H PHE A 96 8.531 6.071 -10.243 1.00 0.00 H new ATOM 0 HA PHE A 96 9.612 6.901 -7.846 1.00 0.00 H new ATOM 0 HB2 PHE A 96 7.265 7.197 -8.500 1.00 0.00 H new ATOM 0 HB3 PHE A 96 7.026 5.465 -8.631 1.00 0.00 H new ATOM 0 HD1 PHE A 96 8.334 7.760 -5.985 1.00 0.00 H new ATOM 0 HD2 PHE A 96 5.681 4.622 -6.973 1.00 0.00 H new ATOM 0 HE1 PHE A 96 7.534 7.692 -3.617 1.00 0.00 H new ATOM 0 HE2 PHE A 96 4.881 4.554 -4.607 1.00 0.00 H new ATOM 0 HZ PHE A 96 5.818 6.087 -2.956 1.00 0.00 H new ATOM 1465 N LEU A 97 8.941 3.671 -7.791 1.00 0.00 N ATOM 1466 CA LEU A 97 9.256 2.426 -7.111 1.00 0.00 C ATOM 1467 C LEU A 97 10.722 2.069 -7.364 1.00 0.00 C ATOM 1468 O LEU A 97 11.535 2.943 -7.665 1.00 0.00 O ATOM 1469 CB LEU A 97 8.276 1.327 -7.523 1.00 0.00 C ATOM 1470 CG LEU A 97 6.793 1.703 -7.490 1.00 0.00 C ATOM 1471 CD1 LEU A 97 5.949 0.672 -8.241 1.00 0.00 C ATOM 1472 CD2 LEU A 97 6.310 1.902 -6.052 1.00 0.00 C ATOM 0 H LEU A 97 8.289 3.578 -8.570 1.00 0.00 H new ATOM 0 HA LEU A 97 9.136 2.540 -6.034 1.00 0.00 H new ATOM 0 HB2 LEU A 97 8.526 1.005 -8.534 1.00 0.00 H new ATOM 0 HB3 LEU A 97 8.427 0.469 -6.868 1.00 0.00 H new ATOM 0 HG LEU A 97 6.670 2.656 -8.005 1.00 0.00 H new ATOM 0 HD11 LEU A 97 4.899 0.963 -8.202 1.00 0.00 H new ATOM 0 HD12 LEU A 97 6.274 0.623 -9.280 1.00 0.00 H new ATOM 0 HD13 LEU A 97 6.072 -0.306 -7.776 1.00 0.00 H new ATOM 0 HD21 LEU A 97 5.253 2.168 -6.057 1.00 0.00 H new ATOM 0 HD22 LEU A 97 6.449 0.978 -5.490 1.00 0.00 H new ATOM 0 HD23 LEU A 97 6.884 2.701 -5.583 1.00 0.00 H new ATOM 1484 N LYS A 98 11.017 0.784 -7.232 1.00 0.00 N ATOM 1485 CA LYS A 98 12.371 0.301 -7.443 1.00 0.00 C ATOM 1486 C LYS A 98 12.375 -0.706 -8.595 1.00 0.00 C ATOM 1487 O LYS A 98 12.940 -1.792 -8.473 1.00 0.00 O ATOM 1488 CB LYS A 98 12.951 -0.253 -6.140 1.00 0.00 C ATOM 1489 CG LYS A 98 14.024 0.681 -5.577 1.00 0.00 C ATOM 1490 CD LYS A 98 13.393 1.924 -4.946 1.00 0.00 C ATOM 1491 CE LYS A 98 14.468 2.879 -4.423 1.00 0.00 C ATOM 1492 NZ LYS A 98 14.417 4.166 -5.151 1.00 0.00 N ATOM 0 H LYS A 98 10.341 0.062 -6.981 1.00 0.00 H new ATOM 0 HA LYS A 98 13.027 1.121 -7.734 1.00 0.00 H new ATOM 0 HB2 LYS A 98 12.154 -0.380 -5.408 1.00 0.00 H new ATOM 0 HB3 LYS A 98 13.380 -1.239 -6.319 1.00 0.00 H new ATOM 0 HG2 LYS A 98 14.617 0.152 -4.831 1.00 0.00 H new ATOM 0 HG3 LYS A 98 14.706 0.979 -6.373 1.00 0.00 H new ATOM 0 HD2 LYS A 98 12.774 2.436 -5.683 1.00 0.00 H new ATOM 0 HD3 LYS A 98 12.736 1.628 -4.128 1.00 0.00 H new ATOM 0 HE2 LYS A 98 14.322 3.052 -3.357 1.00 0.00 H new ATOM 0 HE3 LYS A 98 15.453 2.427 -4.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 15.153 4.802 -4.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 14.579 3.998 -6.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 13.483 4.604 -5.017 1.00 0.00 H new ATOM 1506 N LEU A 99 11.738 -0.309 -9.687 1.00 0.00 N ATOM 1507 CA LEU A 99 11.661 -1.163 -10.860 1.00 0.00 C ATOM 1508 C LEU A 99 12.746 -0.752 -11.858 1.00 0.00 C ATOM 1509 O LEU A 99 13.497 -1.594 -12.346 1.00 0.00 O ATOM 1510 CB LEU A 99 10.248 -1.143 -11.446 1.00 0.00 C ATOM 1511 CG LEU A 99 9.209 -2.001 -10.721 1.00 0.00 C ATOM 1512 CD1 LEU A 99 8.679 -1.285 -9.477 1.00 0.00 C ATOM 1513 CD2 LEU A 99 8.082 -2.415 -11.668 1.00 0.00 C ATOM 0 H LEU A 99 11.271 0.592 -9.784 1.00 0.00 H new ATOM 0 HA LEU A 99 11.854 -2.201 -10.588 1.00 0.00 H new ATOM 0 HB2 LEU A 99 9.895 -0.112 -11.457 1.00 0.00 H new ATOM 0 HB3 LEU A 99 10.302 -1.472 -12.484 1.00 0.00 H new ATOM 0 HG LEU A 99 9.697 -2.915 -10.383 1.00 0.00 H new ATOM 0 HD11 LEU A 99 7.942 -1.916 -8.980 1.00 0.00 H new ATOM 0 HD12 LEU A 99 9.504 -1.084 -8.794 1.00 0.00 H new ATOM 0 HD13 LEU A 99 8.213 -0.344 -9.770 1.00 0.00 H new ATOM 0 HD21 LEU A 99 7.358 -3.024 -11.127 1.00 0.00 H new ATOM 0 HD22 LEU A 99 7.589 -1.525 -12.058 1.00 0.00 H new ATOM 0 HD23 LEU A 99 8.495 -2.992 -12.495 1.00 0.00 H new ATOM 1525 N ALA A 100 12.794 0.544 -12.130 1.00 0.00 N ATOM 1526 CA ALA A 100 13.774 1.078 -13.060 1.00 0.00 C ATOM 1527 C ALA A 100 14.340 2.386 -12.504 1.00 0.00 C ATOM 1528 O ALA A 100 14.126 3.453 -13.078 1.00 0.00 O ATOM 1529 CB ALA A 100 13.128 1.260 -14.435 1.00 0.00 C ATOM 0 H ALA A 100 12.170 1.240 -11.722 1.00 0.00 H new ATOM 0 HA ALA A 100 14.606 0.384 -13.180 1.00 0.00 H new ATOM 0 HB1 ALA A 100 13.864 1.661 -15.132 1.00 0.00 H new ATOM 0 HB2 ALA A 100 12.770 0.297 -14.799 1.00 0.00 H new ATOM 0 HB3 ALA A 100 12.290 1.952 -14.354 1.00 0.00 H new TER 1535 ALA A 100