USER MOD reduce.3.24.130724 H: found=0, std=0, add=524, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 519 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+ -123:sc= 1.33 (180deg=0.388) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 5 HIS :FLIP no HD1:sc= -0.0213 F(o=-0.58,f=-0.021) USER MOD Single : A 9 THR OG1 : rot -66:sc= 0.758 USER MOD Single : A 11 SER OG : rot -75:sc= 1.2 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 171:sc= 1.21 USER MOD Single : A 24 GLN : amide:sc= 0.721 K(o=0.72,f=0) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0.209 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 HIS : no HD1:sc= -0.457 X(o=-0.46,f=-0.65) USER MOD Single : A 43 THR OG1 : rot 88:sc= 0.901 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 51 HIS :FLIP no HD1:sc= -0.16 F(o=-0.7,f=-0.16) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0.324 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -6.575 -13.222 2.235 1.00 0.00 N ATOM 2 CA GLY A 1 -5.942 -13.195 0.908 1.00 0.00 C ATOM 3 C GLY A 1 -4.532 -12.646 0.986 1.00 0.00 C ATOM 4 O GLY A 1 -4.187 -11.982 1.959 1.00 0.00 O ATOM 0 H1 GLY A 1 -6.879 -14.192 2.455 1.00 0.00 H new ATOM 0 H2 GLY A 1 -5.893 -12.902 2.952 1.00 0.00 H new ATOM 0 H3 GLY A 1 -7.402 -12.591 2.238 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -5.921 -14.202 0.492 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -6.537 -12.582 0.231 1.00 0.00 H new ATOM 8 N SER A 2 -3.700 -12.929 -0.022 1.00 0.00 N ATOM 9 CA SER A 2 -2.288 -12.542 -0.046 1.00 0.00 C ATOM 10 C SER A 2 -2.129 -11.022 0.064 1.00 0.00 C ATOM 11 O SER A 2 -1.183 -10.514 0.660 1.00 0.00 O ATOM 12 CB SER A 2 -1.671 -13.064 -1.357 1.00 0.00 C ATOM 13 OG SER A 2 -0.274 -13.272 -1.276 1.00 0.00 O ATOM 0 H SER A 2 -3.994 -13.440 -0.854 1.00 0.00 H new ATOM 0 HA SER A 2 -1.772 -12.978 0.810 1.00 0.00 H new ATOM 0 HB2 SER A 2 -2.155 -14.002 -1.630 1.00 0.00 H new ATOM 0 HB3 SER A 2 -1.879 -12.353 -2.156 1.00 0.00 H new ATOM 0 HG SER A 2 0.058 -13.604 -2.136 1.00 0.00 H new ATOM 19 N GLU A 3 -3.080 -10.296 -0.510 1.00 0.00 N ATOM 20 CA GLU A 3 -3.119 -8.852 -0.582 1.00 0.00 C ATOM 21 C GLU A 3 -3.467 -8.287 0.793 1.00 0.00 C ATOM 22 O GLU A 3 -2.763 -7.430 1.310 1.00 0.00 O ATOM 23 CB GLU A 3 -4.144 -8.414 -1.642 1.00 0.00 C ATOM 24 CG GLU A 3 -3.913 -8.995 -3.046 1.00 0.00 C ATOM 25 CD GLU A 3 -4.307 -10.464 -3.221 1.00 0.00 C ATOM 26 OE1 GLU A 3 -4.956 -11.078 -2.342 1.00 0.00 O ATOM 27 OE2 GLU A 3 -3.903 -11.057 -4.247 1.00 0.00 O ATOM 0 H GLU A 3 -3.886 -10.729 -0.961 1.00 0.00 H new ATOM 0 HA GLU A 3 -2.143 -8.465 -0.876 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -5.139 -8.703 -1.305 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -4.133 -7.326 -1.709 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -4.474 -8.398 -3.765 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -2.858 -8.887 -3.296 1.00 0.00 H new ATOM 34 N GLU A 4 -4.517 -8.809 1.421 1.00 0.00 N ATOM 35 CA GLU A 4 -4.955 -8.410 2.756 1.00 0.00 C ATOM 36 C GLU A 4 -3.832 -8.683 3.763 1.00 0.00 C ATOM 37 O GLU A 4 -3.522 -7.848 4.607 1.00 0.00 O ATOM 38 CB GLU A 4 -6.213 -9.205 3.134 1.00 0.00 C ATOM 39 CG GLU A 4 -7.341 -9.121 2.086 1.00 0.00 C ATOM 40 CD GLU A 4 -8.475 -10.106 2.370 1.00 0.00 C ATOM 41 OE1 GLU A 4 -8.193 -11.205 2.900 1.00 0.00 O ATOM 42 OE2 GLU A 4 -9.636 -9.828 2.002 1.00 0.00 O ATOM 0 H GLU A 4 -5.100 -9.537 1.007 1.00 0.00 H new ATOM 0 HA GLU A 4 -5.189 -7.346 2.768 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -5.941 -10.251 3.278 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -6.589 -8.839 4.089 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -7.740 -8.107 2.067 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -6.930 -9.320 1.097 1.00 0.00 H new ATOM 49 N HIS A 5 -3.160 -9.827 3.608 1.00 0.00 N ATOM 50 CA HIS A 5 -2.015 -10.224 4.416 1.00 0.00 C ATOM 51 C HIS A 5 -0.892 -9.207 4.236 1.00 0.00 C ATOM 52 O HIS A 5 -0.183 -8.899 5.189 1.00 0.00 O ATOM 53 CB HIS A 5 -1.580 -11.644 4.027 1.00 0.00 C ATOM 54 CG HIS A 5 -0.230 -12.121 4.533 1.00 0.00 C ATOM 55 ND1 HIS A 5 0.474 -11.721 5.641 1.00 0.00 N flip ATOM 56 CD2 HIS A 5 0.558 -13.026 3.869 1.00 0.00 C flip ATOM 57 CE1 HIS A 5 1.714 -12.378 5.623 1.00 0.00 C flip ATOM 58 NE2 HIS A 5 1.708 -13.162 4.537 1.00 0.00 N flip ATOM 0 H HIS A 5 -3.407 -10.516 2.898 1.00 0.00 H new ATOM 0 HA HIS A 5 -2.281 -10.240 5.473 1.00 0.00 H new ATOM 0 HB2 HIS A 5 -2.339 -12.339 4.385 1.00 0.00 H new ATOM 0 HB3 HIS A 5 -1.575 -11.709 2.939 1.00 0.00 H new ATOM 0 HD2 HIS A 5 0.294 -13.543 2.958 1.00 0.00 H new ATOM 0 HE1 HIS A 5 2.513 -12.273 6.341 1.00 0.00 H new ATOM 0 HE2 HIS A 5 2.473 -13.776 4.259 1.00 0.00 H new ATOM 66 N PHE A 6 -0.713 -8.645 3.043 1.00 0.00 N ATOM 67 CA PHE A 6 0.276 -7.608 2.829 1.00 0.00 C ATOM 68 C PHE A 6 -0.049 -6.341 3.634 1.00 0.00 C ATOM 69 O PHE A 6 0.846 -5.775 4.265 1.00 0.00 O ATOM 70 CB PHE A 6 0.423 -7.318 1.336 1.00 0.00 C ATOM 71 CG PHE A 6 1.664 -6.518 1.037 1.00 0.00 C ATOM 72 CD1 PHE A 6 2.916 -7.150 1.031 1.00 0.00 C ATOM 73 CD2 PHE A 6 1.574 -5.133 0.833 1.00 0.00 C ATOM 74 CE1 PHE A 6 4.078 -6.395 0.812 1.00 0.00 C ATOM 75 CE2 PHE A 6 2.740 -4.376 0.618 1.00 0.00 C ATOM 76 CZ PHE A 6 3.993 -5.007 0.601 1.00 0.00 C ATOM 0 H PHE A 6 -1.246 -8.896 2.210 1.00 0.00 H new ATOM 0 HA PHE A 6 1.237 -7.968 3.197 1.00 0.00 H new ATOM 0 HB2 PHE A 6 0.456 -8.258 0.785 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -0.453 -6.773 0.984 1.00 0.00 H new ATOM 0 HD1 PHE A 6 2.985 -8.215 1.195 1.00 0.00 H new ATOM 0 HD2 PHE A 6 0.609 -4.648 0.841 1.00 0.00 H new ATOM 0 HE1 PHE A 6 5.042 -6.882 0.805 1.00 0.00 H new ATOM 0 HE2 PHE A 6 2.671 -3.309 0.466 1.00 0.00 H new ATOM 0 HZ PHE A 6 4.889 -4.429 0.427 1.00 0.00 H new ATOM 86 N VAL A 7 -1.314 -5.905 3.642 1.00 0.00 N ATOM 87 CA VAL A 7 -1.753 -4.762 4.451 1.00 0.00 C ATOM 88 C VAL A 7 -1.543 -5.063 5.936 1.00 0.00 C ATOM 89 O VAL A 7 -1.147 -4.186 6.706 1.00 0.00 O ATOM 90 CB VAL A 7 -3.222 -4.378 4.169 1.00 0.00 C ATOM 91 CG1 VAL A 7 -3.586 -3.026 4.804 1.00 0.00 C ATOM 92 CG2 VAL A 7 -3.515 -4.235 2.673 1.00 0.00 C ATOM 0 H VAL A 7 -2.059 -6.332 3.091 1.00 0.00 H new ATOM 0 HA VAL A 7 -1.144 -3.902 4.171 1.00 0.00 H new ATOM 0 HB VAL A 7 -3.809 -5.191 4.597 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -4.627 -2.789 4.584 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -3.447 -3.082 5.884 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -2.943 -2.247 4.395 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -4.561 -3.964 2.531 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -2.879 -3.458 2.250 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -3.314 -5.181 2.171 1.00 0.00 H new ATOM 102 N GLU A 8 -1.801 -6.304 6.337 1.00 0.00 N ATOM 103 CA GLU A 8 -1.589 -6.780 7.693 1.00 0.00 C ATOM 104 C GLU A 8 -0.108 -6.663 8.026 1.00 0.00 C ATOM 105 O GLU A 8 0.221 -5.997 9.000 1.00 0.00 O ATOM 106 CB GLU A 8 -2.140 -8.206 7.837 1.00 0.00 C ATOM 107 CG GLU A 8 -1.710 -8.953 9.108 1.00 0.00 C ATOM 108 CD GLU A 8 -0.659 -10.030 8.827 1.00 0.00 C ATOM 109 OE1 GLU A 8 0.550 -9.751 8.878 1.00 0.00 O ATOM 110 OE2 GLU A 8 -1.052 -11.193 8.572 1.00 0.00 O ATOM 0 H GLU A 8 -2.171 -7.020 5.712 1.00 0.00 H new ATOM 0 HA GLU A 8 -2.133 -6.171 8.415 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -3.229 -8.161 7.813 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -1.826 -8.788 6.970 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -1.310 -8.239 9.828 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -2.584 -9.414 9.568 1.00 0.00 H new ATOM 117 N THR A 9 0.786 -7.226 7.217 1.00 0.00 N ATOM 118 CA THR A 9 2.186 -7.361 7.577 1.00 0.00 C ATOM 119 C THR A 9 2.817 -5.991 7.810 1.00 0.00 C ATOM 120 O THR A 9 3.528 -5.782 8.799 1.00 0.00 O ATOM 121 CB THR A 9 2.983 -8.120 6.505 1.00 0.00 C ATOM 122 OG1 THR A 9 2.361 -8.279 5.250 1.00 0.00 O ATOM 123 CG2 THR A 9 3.402 -9.520 6.943 1.00 0.00 C ATOM 0 H THR A 9 0.556 -7.599 6.296 1.00 0.00 H new ATOM 0 HA THR A 9 2.223 -7.939 8.500 1.00 0.00 H new ATOM 0 HB THR A 9 3.836 -7.452 6.387 1.00 0.00 H new ATOM 0 HG1 THR A 9 1.576 -8.858 5.345 1.00 0.00 H new ATOM 0 HG21 THR A 9 3.961 -10.001 6.140 1.00 0.00 H new ATOM 0 HG22 THR A 9 4.030 -9.451 7.831 1.00 0.00 H new ATOM 0 HG23 THR A 9 2.515 -10.111 7.171 1.00 0.00 H new ATOM 131 N VAL A 10 2.551 -5.046 6.903 1.00 0.00 N ATOM 132 CA VAL A 10 3.085 -3.705 7.043 1.00 0.00 C ATOM 133 C VAL A 10 2.472 -3.035 8.279 1.00 0.00 C ATOM 134 O VAL A 10 3.176 -2.270 8.929 1.00 0.00 O ATOM 135 CB VAL A 10 2.883 -2.898 5.750 1.00 0.00 C ATOM 136 CG1 VAL A 10 3.555 -1.532 5.836 1.00 0.00 C ATOM 137 CG2 VAL A 10 3.498 -3.572 4.526 1.00 0.00 C ATOM 0 H VAL A 10 1.974 -5.191 6.075 1.00 0.00 H new ATOM 0 HA VAL A 10 4.163 -3.749 7.201 1.00 0.00 H new ATOM 0 HB VAL A 10 1.801 -2.820 5.644 1.00 0.00 H new ATOM 0 HG11 VAL A 10 3.393 -0.988 4.906 1.00 0.00 H new ATOM 0 HG12 VAL A 10 3.128 -0.968 6.666 1.00 0.00 H new ATOM 0 HG13 VAL A 10 4.625 -1.662 5.998 1.00 0.00 H new ATOM 0 HG21 VAL A 10 3.323 -2.955 3.645 1.00 0.00 H new ATOM 0 HG22 VAL A 10 4.571 -3.692 4.677 1.00 0.00 H new ATOM 0 HG23 VAL A 10 3.040 -4.550 4.381 1.00 0.00 H new ATOM 147 N SER A 11 1.230 -3.346 8.670 1.00 0.00 N ATOM 148 CA SER A 11 0.656 -2.801 9.896 1.00 0.00 C ATOM 149 C SER A 11 1.389 -3.278 11.143 1.00 0.00 C ATOM 150 O SER A 11 1.336 -2.616 12.185 1.00 0.00 O ATOM 151 CB SER A 11 -0.833 -3.139 9.991 1.00 0.00 C ATOM 152 OG SER A 11 -1.100 -4.424 10.511 1.00 0.00 O ATOM 0 H SER A 11 0.609 -3.970 8.154 1.00 0.00 H new ATOM 0 HA SER A 11 0.774 -1.718 9.847 1.00 0.00 H new ATOM 0 HB2 SER A 11 -1.324 -2.395 10.619 1.00 0.00 H new ATOM 0 HB3 SER A 11 -1.276 -3.061 8.998 1.00 0.00 H new ATOM 0 HG SER A 11 -0.907 -5.100 9.828 1.00 0.00 H new ATOM 158 N LEU A 12 2.034 -4.446 11.071 1.00 0.00 N ATOM 159 CA LEU A 12 2.774 -4.984 12.194 1.00 0.00 C ATOM 160 C LEU A 12 4.060 -4.170 12.312 1.00 0.00 C ATOM 161 O LEU A 12 4.328 -3.559 13.349 1.00 0.00 O ATOM 162 CB LEU A 12 3.087 -6.490 12.050 1.00 0.00 C ATOM 163 CG LEU A 12 1.924 -7.377 11.570 1.00 0.00 C ATOM 164 CD1 LEU A 12 2.399 -8.825 11.450 1.00 0.00 C ATOM 165 CD2 LEU A 12 0.691 -7.329 12.472 1.00 0.00 C ATOM 0 H LEU A 12 2.053 -5.033 10.237 1.00 0.00 H new ATOM 0 HA LEU A 12 2.166 -4.904 13.095 1.00 0.00 H new ATOM 0 HB2 LEU A 12 3.917 -6.603 11.352 1.00 0.00 H new ATOM 0 HB3 LEU A 12 3.429 -6.864 13.015 1.00 0.00 H new ATOM 0 HG LEU A 12 1.619 -6.978 10.603 1.00 0.00 H new ATOM 0 HD11 LEU A 12 1.574 -9.451 11.110 1.00 0.00 H new ATOM 0 HD12 LEU A 12 3.217 -8.881 10.732 1.00 0.00 H new ATOM 0 HD13 LEU A 12 2.745 -9.176 12.422 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -0.083 -7.980 12.065 1.00 0.00 H new ATOM 0 HD22 LEU A 12 0.959 -7.666 13.473 1.00 0.00 H new ATOM 0 HD23 LEU A 12 0.316 -6.307 12.521 1.00 0.00 H new ATOM 177 N ALA A 13 4.837 -4.140 11.227 1.00 0.00 N ATOM 178 CA ALA A 13 6.111 -3.441 11.143 1.00 0.00 C ATOM 179 C ALA A 13 5.972 -1.924 11.292 1.00 0.00 C ATOM 180 O ALA A 13 6.915 -1.252 11.703 1.00 0.00 O ATOM 181 CB ALA A 13 6.739 -3.752 9.784 1.00 0.00 C ATOM 0 H ALA A 13 4.586 -4.616 10.361 1.00 0.00 H new ATOM 0 HA ALA A 13 6.735 -3.786 11.967 1.00 0.00 H new ATOM 0 HB1 ALA A 13 7.696 -3.238 9.699 1.00 0.00 H new ATOM 0 HB2 ALA A 13 6.895 -4.827 9.693 1.00 0.00 H new ATOM 0 HB3 ALA A 13 6.074 -3.414 8.990 1.00 0.00 H new ATOM 187 N GLY A 14 4.818 -1.376 10.918 1.00 0.00 N ATOM 188 CA GLY A 14 4.604 0.047 10.730 1.00 0.00 C ATOM 189 C GLY A 14 5.384 0.608 9.538 1.00 0.00 C ATOM 190 O GLY A 14 5.459 1.827 9.384 1.00 0.00 O ATOM 0 H GLY A 14 3.983 -1.932 10.733 1.00 0.00 H new ATOM 0 HA2 GLY A 14 3.540 0.234 10.584 1.00 0.00 H new ATOM 0 HA3 GLY A 14 4.900 0.578 11.635 1.00 0.00 H new ATOM 194 N SER A 15 5.997 -0.229 8.692 1.00 0.00 N ATOM 195 CA SER A 15 6.886 0.229 7.635 1.00 0.00 C ATOM 196 C SER A 15 7.194 -0.925 6.677 1.00 0.00 C ATOM 197 O SER A 15 7.211 -2.085 7.090 1.00 0.00 O ATOM 198 CB SER A 15 8.124 0.865 8.316 1.00 0.00 C ATOM 199 OG SER A 15 9.383 0.350 7.919 1.00 0.00 O ATOM 0 H SER A 15 5.886 -1.242 8.727 1.00 0.00 H new ATOM 0 HA SER A 15 6.433 0.995 7.006 1.00 0.00 H new ATOM 0 HB2 SER A 15 8.113 1.937 8.118 1.00 0.00 H new ATOM 0 HB3 SER A 15 8.026 0.739 9.394 1.00 0.00 H new ATOM 0 HG SER A 15 10.095 0.817 8.404 1.00 0.00 H new ATOM 205 N TYR A 16 7.471 -0.617 5.408 1.00 0.00 N ATOM 206 CA TYR A 16 7.888 -1.590 4.395 1.00 0.00 C ATOM 207 C TYR A 16 9.149 -1.075 3.737 1.00 0.00 C ATOM 208 O TYR A 16 9.112 0.003 3.146 1.00 0.00 O ATOM 209 CB TYR A 16 6.829 -1.823 3.311 1.00 0.00 C ATOM 210 CG TYR A 16 7.192 -2.973 2.383 1.00 0.00 C ATOM 211 CD1 TYR A 16 8.008 -2.795 1.246 1.00 0.00 C ATOM 212 CD2 TYR A 16 6.756 -4.262 2.710 1.00 0.00 C ATOM 213 CE1 TYR A 16 8.320 -3.887 0.408 1.00 0.00 C ATOM 214 CE2 TYR A 16 7.094 -5.362 1.914 1.00 0.00 C ATOM 215 CZ TYR A 16 7.861 -5.181 0.747 1.00 0.00 C ATOM 216 OH TYR A 16 8.181 -6.252 -0.030 1.00 0.00 O ATOM 0 H TYR A 16 7.411 0.336 5.048 1.00 0.00 H new ATOM 0 HA TYR A 16 8.046 -2.543 4.899 1.00 0.00 H new ATOM 0 HB2 TYR A 16 5.869 -2.030 3.784 1.00 0.00 H new ATOM 0 HB3 TYR A 16 6.706 -0.912 2.725 1.00 0.00 H new ATOM 0 HD1 TYR A 16 8.397 -1.815 1.015 1.00 0.00 H new ATOM 0 HD2 TYR A 16 6.149 -4.410 3.591 1.00 0.00 H new ATOM 0 HE1 TYR A 16 8.906 -3.735 -0.487 1.00 0.00 H new ATOM 0 HE2 TYR A 16 6.766 -6.352 2.195 1.00 0.00 H new ATOM 0 HH TYR A 16 7.783 -7.063 0.351 1.00 0.00 H new ATOM 226 N ARG A 17 10.240 -1.836 3.810 1.00 0.00 N ATOM 227 CA ARG A 17 11.613 -1.407 3.530 1.00 0.00 C ATOM 228 C ARG A 17 11.941 -0.071 4.193 1.00 0.00 C ATOM 229 O ARG A 17 12.350 -0.042 5.350 1.00 0.00 O ATOM 230 CB ARG A 17 11.887 -1.351 2.017 1.00 0.00 C ATOM 231 CG ARG A 17 11.738 -2.716 1.353 1.00 0.00 C ATOM 232 CD ARG A 17 12.880 -2.981 0.380 1.00 0.00 C ATOM 233 NE ARG A 17 14.158 -3.317 1.041 1.00 0.00 N ATOM 234 CZ ARG A 17 15.212 -3.876 0.430 1.00 0.00 C ATOM 235 NH1 ARG A 17 15.153 -4.172 -0.866 1.00 0.00 N ATOM 236 NH2 ARG A 17 16.321 -4.147 1.108 1.00 0.00 N ATOM 0 H ARG A 17 10.190 -2.818 4.080 1.00 0.00 H new ATOM 0 HA ARG A 17 12.273 -2.158 3.965 1.00 0.00 H new ATOM 0 HB2 ARG A 17 11.199 -0.645 1.551 1.00 0.00 H new ATOM 0 HB3 ARG A 17 12.895 -0.974 1.846 1.00 0.00 H new ATOM 0 HG2 ARG A 17 11.718 -3.494 2.116 1.00 0.00 H new ATOM 0 HG3 ARG A 17 10.787 -2.764 0.823 1.00 0.00 H new ATOM 0 HD2 ARG A 17 12.598 -3.799 -0.283 1.00 0.00 H new ATOM 0 HD3 ARG A 17 13.025 -2.100 -0.245 1.00 0.00 H new ATOM 0 HE ARG A 17 14.245 -3.108 2.036 1.00 0.00 H new ATOM 0 HH11 ARG A 17 14.305 -3.974 -1.396 1.00 0.00 H new ATOM 0 HH12 ARG A 17 15.956 -4.597 -1.329 1.00 0.00 H new ATOM 0 HH21 ARG A 17 16.376 -3.930 2.103 1.00 0.00 H new ATOM 0 HH22 ARG A 17 17.118 -4.572 0.634 1.00 0.00 H new ATOM 250 N ASP A 18 11.628 1.010 3.493 1.00 0.00 N ATOM 251 CA ASP A 18 12.062 2.387 3.683 1.00 0.00 C ATOM 252 C ASP A 18 10.853 3.326 3.629 1.00 0.00 C ATOM 253 O ASP A 18 10.990 4.548 3.581 1.00 0.00 O ATOM 254 CB ASP A 18 13.065 2.718 2.563 1.00 0.00 C ATOM 255 CG ASP A 18 14.410 3.204 3.099 1.00 0.00 C ATOM 256 OD1 ASP A 18 15.254 2.334 3.410 1.00 0.00 O ATOM 257 OD2 ASP A 18 14.644 4.432 3.168 1.00 0.00 O ATOM 0 H ASP A 18 10.998 0.936 2.694 1.00 0.00 H new ATOM 0 HA ASP A 18 12.537 2.515 4.656 1.00 0.00 H new ATOM 0 HB2 ASP A 18 13.223 1.831 1.949 1.00 0.00 H new ATOM 0 HB3 ASP A 18 12.639 3.484 1.914 1.00 0.00 H new ATOM 262 N TRP A 19 9.653 2.747 3.548 1.00 0.00 N ATOM 263 CA TRP A 19 8.368 3.411 3.580 1.00 0.00 C ATOM 264 C TRP A 19 7.778 3.238 4.968 1.00 0.00 C ATOM 265 O TRP A 19 8.133 2.303 5.688 1.00 0.00 O ATOM 266 CB TRP A 19 7.398 2.767 2.583 1.00 0.00 C ATOM 267 CG TRP A 19 7.775 2.780 1.145 1.00 0.00 C ATOM 268 CD1 TRP A 19 8.841 2.162 0.601 1.00 0.00 C ATOM 269 CD2 TRP A 19 7.069 3.426 0.049 1.00 0.00 C ATOM 270 NE1 TRP A 19 8.867 2.419 -0.754 1.00 0.00 N ATOM 271 CE2 TRP A 19 7.775 3.165 -1.156 1.00 0.00 C ATOM 272 CE3 TRP A 19 5.891 4.196 -0.048 1.00 0.00 C ATOM 273 CZ2 TRP A 19 7.281 3.608 -2.394 1.00 0.00 C ATOM 274 CZ3 TRP A 19 5.419 4.687 -1.270 1.00 0.00 C ATOM 275 CH2 TRP A 19 6.112 4.380 -2.450 1.00 0.00 C ATOM 0 H TRP A 19 9.558 1.736 3.452 1.00 0.00 H new ATOM 0 HA TRP A 19 8.509 4.461 3.324 1.00 0.00 H new ATOM 0 HB2 TRP A 19 7.250 1.729 2.882 1.00 0.00 H new ATOM 0 HB3 TRP A 19 6.435 3.267 2.682 1.00 0.00 H new ATOM 0 HD1 TRP A 19 9.560 1.562 1.139 1.00 0.00 H new ATOM 0 HE1 TRP A 19 9.603 2.098 -1.383 1.00 0.00 H new ATOM 0 HE3 TRP A 19 5.335 4.414 0.852 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 7.803 3.353 -3.305 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 4.529 5.297 -1.304 1.00 0.00 H new ATOM 0 HH2 TRP A 19 5.746 4.738 -3.401 1.00 0.00 H new ATOM 286 N SER A 20 6.789 4.049 5.292 1.00 0.00 N ATOM 287 CA SER A 20 6.097 4.123 6.560 1.00 0.00 C ATOM 288 C SER A 20 4.648 3.737 6.307 1.00 0.00 C ATOM 289 O SER A 20 4.083 4.150 5.300 1.00 0.00 O ATOM 290 CB SER A 20 6.191 5.576 7.027 1.00 0.00 C ATOM 291 OG SER A 20 7.362 5.779 7.797 1.00 0.00 O ATOM 0 H SER A 20 6.422 4.725 4.622 1.00 0.00 H new ATOM 0 HA SER A 20 6.520 3.462 7.316 1.00 0.00 H new ATOM 0 HB2 SER A 20 6.198 6.241 6.163 1.00 0.00 H new ATOM 0 HB3 SER A 20 5.312 5.831 7.619 1.00 0.00 H new ATOM 0 HG SER A 20 7.406 6.715 8.085 1.00 0.00 H new ATOM 297 N TYR A 21 4.052 2.931 7.182 1.00 0.00 N ATOM 298 CA TYR A 21 2.616 2.657 7.195 1.00 0.00 C ATOM 299 C TYR A 21 1.854 3.963 7.466 1.00 0.00 C ATOM 300 O TYR A 21 2.449 4.972 7.849 1.00 0.00 O ATOM 301 CB TYR A 21 2.364 1.594 8.275 1.00 0.00 C ATOM 302 CG TYR A 21 0.968 0.999 8.362 1.00 0.00 C ATOM 303 CD1 TYR A 21 0.548 0.027 7.432 1.00 0.00 C ATOM 304 CD2 TYR A 21 0.116 1.355 9.424 1.00 0.00 C ATOM 305 CE1 TYR A 21 -0.706 -0.595 7.572 1.00 0.00 C ATOM 306 CE2 TYR A 21 -1.146 0.751 9.562 1.00 0.00 C ATOM 307 CZ TYR A 21 -1.557 -0.230 8.637 1.00 0.00 C ATOM 308 OH TYR A 21 -2.762 -0.849 8.768 1.00 0.00 O ATOM 0 H TYR A 21 4.563 2.440 7.916 1.00 0.00 H new ATOM 0 HA TYR A 21 2.261 2.277 6.237 1.00 0.00 H new ATOM 0 HB2 TYR A 21 3.068 0.778 8.114 1.00 0.00 H new ATOM 0 HB3 TYR A 21 2.603 2.035 9.243 1.00 0.00 H new ATOM 0 HD1 TYR A 21 1.192 -0.242 6.608 1.00 0.00 H new ATOM 0 HD2 TYR A 21 0.434 2.099 10.139 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -1.017 -1.351 6.866 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -1.798 1.038 10.374 1.00 0.00 H new ATOM 0 HH TYR A 21 -3.231 -0.489 9.549 1.00 0.00 H new ATOM 318 N SER A 22 0.545 3.965 7.247 1.00 0.00 N ATOM 319 CA SER A 22 -0.354 5.069 7.532 1.00 0.00 C ATOM 320 C SER A 22 -1.622 4.449 8.131 1.00 0.00 C ATOM 321 O SER A 22 -1.604 4.023 9.284 1.00 0.00 O ATOM 322 CB SER A 22 -0.503 5.970 6.294 1.00 0.00 C ATOM 323 OG SER A 22 -1.051 7.240 6.623 1.00 0.00 O ATOM 0 H SER A 22 0.063 3.160 6.848 1.00 0.00 H new ATOM 0 HA SER A 22 0.017 5.774 8.276 1.00 0.00 H new ATOM 0 HB2 SER A 22 0.472 6.106 5.825 1.00 0.00 H new ATOM 0 HB3 SER A 22 -1.143 5.477 5.562 1.00 0.00 H new ATOM 0 HG SER A 22 -0.995 7.832 5.844 1.00 0.00 H new ATOM 329 N GLY A 23 -2.752 4.475 7.424 1.00 0.00 N ATOM 330 CA GLY A 23 -4.009 3.844 7.830 1.00 0.00 C ATOM 331 C GLY A 23 -5.155 4.848 7.916 1.00 0.00 C ATOM 332 O GLY A 23 -6.302 4.479 8.161 1.00 0.00 O ATOM 0 H GLY A 23 -2.820 4.951 6.524 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -4.267 3.060 7.118 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -3.876 3.363 8.799 1.00 0.00 H new ATOM 336 N GLN A 24 -4.846 6.118 7.660 1.00 0.00 N ATOM 337 CA GLN A 24 -5.752 7.236 7.501 1.00 0.00 C ATOM 338 C GLN A 24 -6.647 6.911 6.317 1.00 0.00 C ATOM 339 O GLN A 24 -6.194 6.885 5.173 1.00 0.00 O ATOM 340 CB GLN A 24 -4.898 8.499 7.281 1.00 0.00 C ATOM 341 CG GLN A 24 -5.635 9.753 6.794 1.00 0.00 C ATOM 342 CD GLN A 24 -6.550 10.359 7.848 1.00 0.00 C ATOM 343 OE1 GLN A 24 -6.084 11.015 8.782 1.00 0.00 O ATOM 344 NE2 GLN A 24 -7.856 10.186 7.730 1.00 0.00 N ATOM 0 H GLN A 24 -3.874 6.407 7.551 1.00 0.00 H new ATOM 0 HA GLN A 24 -6.385 7.414 8.370 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -4.400 8.740 8.220 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -4.118 8.261 6.558 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -4.903 10.499 6.485 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -6.224 9.501 5.912 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -8.230 9.641 6.953 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -8.489 10.597 8.416 1.00 0.00 H new ATOM 353 N ARG A 25 -7.912 6.617 6.593 1.00 0.00 N ATOM 354 CA ARG A 25 -8.903 6.450 5.548 1.00 0.00 C ATOM 355 C ARG A 25 -9.301 7.823 5.018 1.00 0.00 C ATOM 356 O ARG A 25 -9.507 8.757 5.806 1.00 0.00 O ATOM 357 CB ARG A 25 -10.064 5.605 6.076 1.00 0.00 C ATOM 358 CG ARG A 25 -10.959 6.378 7.034 1.00 0.00 C ATOM 359 CD ARG A 25 -11.928 5.432 7.719 1.00 0.00 C ATOM 360 NE ARG A 25 -13.046 6.170 8.319 1.00 0.00 N ATOM 361 CZ ARG A 25 -13.753 5.801 9.387 1.00 0.00 C ATOM 362 NH1 ARG A 25 -13.423 4.717 10.085 1.00 0.00 N ATOM 363 NH2 ARG A 25 -14.787 6.548 9.752 1.00 0.00 N ATOM 0 H ARG A 25 -8.273 6.490 7.539 1.00 0.00 H new ATOM 0 HA ARG A 25 -8.504 5.900 4.696 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -10.660 5.247 5.236 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -9.668 4.726 6.584 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -10.351 6.890 7.779 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -11.510 7.145 6.490 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -12.310 4.710 6.997 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -11.406 4.866 8.490 1.00 0.00 H new ATOM 0 HE ARG A 25 -13.307 7.051 7.876 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -12.619 4.155 9.805 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -13.974 4.448 10.900 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -15.026 7.384 9.219 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -15.343 6.286 10.566 1.00 0.00 H new ATOM 377 N THR A 26 -9.413 7.938 3.705 1.00 0.00 N ATOM 378 CA THR A 26 -9.866 9.112 2.985 1.00 0.00 C ATOM 379 C THR A 26 -10.757 8.620 1.840 1.00 0.00 C ATOM 380 O THR A 26 -10.996 7.414 1.690 1.00 0.00 O ATOM 381 CB THR A 26 -8.665 9.976 2.524 1.00 0.00 C ATOM 382 OG1 THR A 26 -8.098 9.529 1.313 1.00 0.00 O ATOM 383 CG2 THR A 26 -7.519 10.077 3.545 1.00 0.00 C ATOM 0 H THR A 26 -9.176 7.169 3.079 1.00 0.00 H new ATOM 0 HA THR A 26 -10.452 9.776 3.620 1.00 0.00 H new ATOM 0 HB THR A 26 -9.118 10.960 2.400 1.00 0.00 H new ATOM 0 HG1 THR A 26 -7.347 10.110 1.069 1.00 0.00 H new ATOM 0 HG21 THR A 26 -6.723 10.700 3.138 1.00 0.00 H new ATOM 0 HG22 THR A 26 -7.892 10.522 4.468 1.00 0.00 H new ATOM 0 HG23 THR A 26 -7.129 9.081 3.754 1.00 0.00 H new ATOM 391 N GLU A 27 -11.239 9.536 1.001 1.00 0.00 N ATOM 392 CA GLU A 27 -11.977 9.162 -0.199 1.00 0.00 C ATOM 393 C GLU A 27 -11.071 8.459 -1.203 1.00 0.00 C ATOM 394 O GLU A 27 -11.557 7.741 -2.078 1.00 0.00 O ATOM 395 CB GLU A 27 -12.587 10.369 -0.913 1.00 0.00 C ATOM 396 CG GLU A 27 -12.852 11.586 -0.039 1.00 0.00 C ATOM 397 CD GLU A 27 -13.765 12.590 -0.743 1.00 0.00 C ATOM 398 OE1 GLU A 27 -13.423 13.059 -1.859 1.00 0.00 O ATOM 399 OE2 GLU A 27 -14.857 12.887 -0.208 1.00 0.00 O ATOM 0 H GLU A 27 -11.130 10.542 1.132 1.00 0.00 H new ATOM 0 HA GLU A 27 -12.772 8.500 0.143 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -11.920 10.664 -1.723 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -13.527 10.061 -1.370 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -13.310 11.270 0.898 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -11.907 12.067 0.214 1.00 0.00 H new ATOM 406 N LEU A 28 -9.754 8.675 -1.111 1.00 0.00 N ATOM 407 CA LEU A 28 -8.807 8.013 -1.991 1.00 0.00 C ATOM 408 C LEU A 28 -8.550 6.575 -1.569 1.00 0.00 C ATOM 409 O LEU A 28 -7.802 5.862 -2.245 1.00 0.00 O ATOM 410 CB LEU A 28 -7.490 8.798 -2.100 1.00 0.00 C ATOM 411 CG LEU A 28 -7.610 10.143 -2.834 1.00 0.00 C ATOM 412 CD1 LEU A 28 -6.212 10.763 -2.917 1.00 0.00 C ATOM 413 CD2 LEU A 28 -8.191 10.004 -4.249 1.00 0.00 C ATOM 0 H LEU A 28 -9.327 9.306 -0.432 1.00 0.00 H new ATOM 0 HA LEU A 28 -9.262 7.988 -2.981 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -7.105 8.979 -1.096 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -6.755 8.181 -2.617 1.00 0.00 H new ATOM 0 HG LEU A 28 -8.300 10.774 -2.274 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -6.269 11.721 -3.435 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -5.822 10.917 -1.911 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -5.549 10.093 -3.465 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -8.251 10.987 -4.716 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -7.547 9.358 -4.845 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -9.188 9.568 -4.192 1.00 0.00 H new ATOM 425 N GLY A 29 -9.184 6.140 -0.484 1.00 0.00 N ATOM 426 CA GLY A 29 -8.990 4.839 0.086 1.00 0.00 C ATOM 427 C GLY A 29 -8.265 4.974 1.404 1.00 0.00 C ATOM 428 O GLY A 29 -8.202 6.064 1.975 1.00 0.00 O ATOM 0 H GLY A 29 -9.861 6.708 0.025 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -9.952 4.348 0.236 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -8.415 4.213 -0.596 1.00 0.00 H new ATOM 432 N VAL A 30 -7.745 3.869 1.920 1.00 0.00 N ATOM 433 CA VAL A 30 -6.931 3.934 3.123 1.00 0.00 C ATOM 434 C VAL A 30 -5.495 4.157 2.687 1.00 0.00 C ATOM 435 O VAL A 30 -4.958 3.370 1.905 1.00 0.00 O ATOM 436 CB VAL A 30 -7.143 2.691 3.991 1.00 0.00 C ATOM 437 CG1 VAL A 30 -6.368 2.810 5.301 1.00 0.00 C ATOM 438 CG2 VAL A 30 -8.604 2.565 4.415 1.00 0.00 C ATOM 0 H VAL A 30 -7.869 2.934 1.532 1.00 0.00 H new ATOM 0 HA VAL A 30 -7.222 4.766 3.765 1.00 0.00 H new ATOM 0 HB VAL A 30 -6.816 1.841 3.392 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -6.532 1.916 5.903 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -5.304 2.913 5.086 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -6.714 3.686 5.850 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -8.729 1.674 5.031 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -8.894 3.446 4.988 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -9.234 2.485 3.529 1.00 0.00 H new ATOM 448 N GLU A 31 -4.897 5.246 3.175 1.00 0.00 N ATOM 449 CA GLU A 31 -3.482 5.526 3.033 1.00 0.00 C ATOM 450 C GLU A 31 -2.700 4.308 3.493 1.00 0.00 C ATOM 451 O GLU A 31 -2.884 3.838 4.619 1.00 0.00 O ATOM 452 CB GLU A 31 -3.058 6.714 3.898 1.00 0.00 C ATOM 453 CG GLU A 31 -3.445 8.075 3.328 1.00 0.00 C ATOM 454 CD GLU A 31 -2.797 9.228 4.099 1.00 0.00 C ATOM 455 OE1 GLU A 31 -1.748 9.046 4.769 1.00 0.00 O ATOM 456 OE2 GLU A 31 -3.310 10.361 4.016 1.00 0.00 O ATOM 0 H GLU A 31 -5.401 5.968 3.690 1.00 0.00 H new ATOM 0 HA GLU A 31 -3.283 5.762 1.988 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -3.505 6.607 4.886 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -1.977 6.683 4.032 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -3.147 8.127 2.281 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -4.529 8.184 3.357 1.00 0.00 H new ATOM 463 N PHE A 32 -1.810 3.833 2.638 1.00 0.00 N ATOM 464 CA PHE A 32 -0.933 2.721 2.881 1.00 0.00 C ATOM 465 C PHE A 32 0.433 3.237 3.236 1.00 0.00 C ATOM 466 O PHE A 32 0.646 3.921 4.234 1.00 0.00 O ATOM 467 CB PHE A 32 -1.131 1.659 1.781 1.00 0.00 C ATOM 468 CG PHE A 32 -0.675 0.245 2.120 1.00 0.00 C ATOM 469 CD1 PHE A 32 -0.753 -0.280 3.430 1.00 0.00 C ATOM 470 CD2 PHE A 32 -0.167 -0.570 1.096 1.00 0.00 C ATOM 471 CE1 PHE A 32 -0.229 -1.550 3.715 1.00 0.00 C ATOM 472 CE2 PHE A 32 0.292 -1.863 1.375 1.00 0.00 C ATOM 473 CZ PHE A 32 0.311 -2.342 2.693 1.00 0.00 C ATOM 0 H PHE A 32 -1.680 4.239 1.712 1.00 0.00 H new ATOM 0 HA PHE A 32 -1.167 2.133 3.768 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -2.190 1.625 1.524 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -0.597 1.986 0.889 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -1.218 0.299 4.215 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -0.130 -0.196 0.083 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -0.242 -1.920 4.730 1.00 0.00 H new ATOM 0 HE2 PHE A 32 0.634 -2.496 0.570 1.00 0.00 H new ATOM 0 HZ PHE A 32 0.736 -3.309 2.917 1.00 0.00 H new ATOM 483 N LEU A 33 1.331 2.944 2.347 1.00 0.00 N ATOM 484 CA LEU A 33 2.740 3.206 2.521 1.00 0.00 C ATOM 485 C LEU A 33 2.990 4.625 2.046 1.00 0.00 C ATOM 486 O LEU A 33 2.774 4.944 0.878 1.00 0.00 O ATOM 487 CB LEU A 33 3.658 2.198 1.811 1.00 0.00 C ATOM 488 CG LEU A 33 3.943 0.890 2.565 1.00 0.00 C ATOM 489 CD1 LEU A 33 4.460 1.127 3.986 1.00 0.00 C ATOM 490 CD2 LEU A 33 2.717 0.001 2.520 1.00 0.00 C ATOM 0 H LEU A 33 1.106 2.504 1.455 1.00 0.00 H new ATOM 0 HA LEU A 33 2.992 3.091 3.575 1.00 0.00 H new ATOM 0 HB2 LEU A 33 3.212 1.948 0.848 1.00 0.00 H new ATOM 0 HB3 LEU A 33 4.609 2.688 1.604 1.00 0.00 H new ATOM 0 HG LEU A 33 4.757 0.370 2.060 1.00 0.00 H new ATOM 0 HD11 LEU A 33 4.644 0.168 4.471 1.00 0.00 H new ATOM 0 HD12 LEU A 33 5.388 1.697 3.945 1.00 0.00 H new ATOM 0 HD13 LEU A 33 3.716 1.685 4.555 1.00 0.00 H new ATOM 0 HD21 LEU A 33 2.920 -0.927 3.055 1.00 0.00 H new ATOM 0 HD22 LEU A 33 1.878 0.514 2.990 1.00 0.00 H new ATOM 0 HD23 LEU A 33 2.470 -0.225 1.483 1.00 0.00 H new ATOM 502 N LYS A 34 3.472 5.466 2.944 1.00 0.00 N ATOM 503 CA LYS A 34 4.057 6.757 2.652 1.00 0.00 C ATOM 504 C LYS A 34 5.556 6.580 2.479 1.00 0.00 C ATOM 505 O LYS A 34 6.160 5.813 3.227 1.00 0.00 O ATOM 506 CB LYS A 34 3.842 7.668 3.857 1.00 0.00 C ATOM 507 CG LYS A 34 2.403 8.175 4.014 1.00 0.00 C ATOM 508 CD LYS A 34 2.433 9.587 4.602 1.00 0.00 C ATOM 509 CE LYS A 34 2.817 10.599 3.509 1.00 0.00 C ATOM 510 NZ LYS A 34 3.456 11.799 4.077 1.00 0.00 N ATOM 0 H LYS A 34 3.464 5.255 3.942 1.00 0.00 H new ATOM 0 HA LYS A 34 3.605 7.178 1.754 1.00 0.00 H new ATOM 0 HB2 LYS A 34 4.126 7.129 4.761 1.00 0.00 H new ATOM 0 HB3 LYS A 34 4.510 8.525 3.774 1.00 0.00 H new ATOM 0 HG2 LYS A 34 1.898 8.180 3.048 1.00 0.00 H new ATOM 0 HG3 LYS A 34 1.838 7.508 4.665 1.00 0.00 H new ATOM 0 HD2 LYS A 34 1.457 9.839 5.017 1.00 0.00 H new ATOM 0 HD3 LYS A 34 3.150 9.634 5.422 1.00 0.00 H new ATOM 0 HE2 LYS A 34 3.496 10.127 2.799 1.00 0.00 H new ATOM 0 HE3 LYS A 34 1.926 10.890 2.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 3.701 12.458 3.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 2.799 12.263 4.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 4.320 11.524 4.586 1.00 0.00 H new ATOM 524 N ARG A 35 6.175 7.306 1.555 1.00 0.00 N ATOM 525 CA ARG A 35 7.613 7.526 1.517 1.00 0.00 C ATOM 526 C ARG A 35 7.870 8.716 0.610 1.00 0.00 C ATOM 527 O ARG A 35 7.272 8.776 -0.457 1.00 0.00 O ATOM 528 CB ARG A 35 8.305 6.298 0.921 1.00 0.00 C ATOM 529 CG ARG A 35 9.820 6.395 1.027 1.00 0.00 C ATOM 530 CD ARG A 35 10.491 5.198 0.355 1.00 0.00 C ATOM 531 NE ARG A 35 11.849 5.516 -0.102 1.00 0.00 N ATOM 532 CZ ARG A 35 12.887 5.906 0.645 1.00 0.00 C ATOM 533 NH1 ARG A 35 12.793 5.988 1.972 1.00 0.00 N ATOM 534 NH2 ARG A 35 14.024 6.243 0.054 1.00 0.00 N ATOM 0 H ARG A 35 5.677 7.768 0.794 1.00 0.00 H new ATOM 0 HA ARG A 35 7.996 7.704 2.522 1.00 0.00 H new ATOM 0 HB2 ARG A 35 7.961 5.401 1.437 1.00 0.00 H new ATOM 0 HB3 ARG A 35 8.020 6.193 -0.126 1.00 0.00 H new ATOM 0 HG2 ARG A 35 10.163 7.319 0.560 1.00 0.00 H new ATOM 0 HG3 ARG A 35 10.113 6.440 2.076 1.00 0.00 H new ATOM 0 HD2 ARG A 35 10.530 4.364 1.055 1.00 0.00 H new ATOM 0 HD3 ARG A 35 9.889 4.874 -0.494 1.00 0.00 H new ATOM 0 HE ARG A 35 12.020 5.430 -1.104 1.00 0.00 H new ATOM 0 HH11 ARG A 35 11.917 5.751 2.437 1.00 0.00 H new ATOM 0 HH12 ARG A 35 13.597 6.288 2.523 1.00 0.00 H new ATOM 0 HH21 ARG A 35 14.102 6.204 -0.962 1.00 0.00 H new ATOM 0 HH22 ARG A 35 14.822 6.542 0.615 1.00 0.00 H new ATOM 548 N GLY A 36 8.796 9.609 0.951 1.00 0.00 N ATOM 549 CA GLY A 36 9.143 10.731 0.086 1.00 0.00 C ATOM 550 C GLY A 36 7.925 11.607 -0.107 1.00 0.00 C ATOM 551 O GLY A 36 7.452 12.202 0.862 1.00 0.00 O ATOM 0 H GLY A 36 9.321 9.576 1.825 1.00 0.00 H new ATOM 0 HA2 GLY A 36 9.955 11.309 0.528 1.00 0.00 H new ATOM 0 HA3 GLY A 36 9.499 10.366 -0.877 1.00 0.00 H new ATOM 555 N ASP A 37 7.366 11.589 -1.310 1.00 0.00 N ATOM 556 CA ASP A 37 6.127 12.242 -1.725 1.00 0.00 C ATOM 557 C ASP A 37 5.247 11.219 -2.463 1.00 0.00 C ATOM 558 O ASP A 37 4.478 11.565 -3.361 1.00 0.00 O ATOM 559 CB ASP A 37 6.474 13.477 -2.580 1.00 0.00 C ATOM 560 CG ASP A 37 6.690 14.729 -1.733 1.00 0.00 C ATOM 561 OD1 ASP A 37 7.633 14.753 -0.902 1.00 0.00 O ATOM 562 OD2 ASP A 37 5.915 15.698 -1.866 1.00 0.00 O ATOM 0 H ASP A 37 7.798 11.079 -2.081 1.00 0.00 H new ATOM 0 HA ASP A 37 5.555 12.597 -0.868 1.00 0.00 H new ATOM 0 HB2 ASP A 37 7.375 13.273 -3.159 1.00 0.00 H new ATOM 0 HB3 ASP A 37 5.671 13.659 -3.294 1.00 0.00 H new ATOM 567 N LYS A 38 5.373 9.936 -2.107 1.00 0.00 N ATOM 568 CA LYS A 38 4.658 8.808 -2.700 1.00 0.00 C ATOM 569 C LYS A 38 3.799 8.226 -1.597 1.00 0.00 C ATOM 570 O LYS A 38 4.291 7.951 -0.502 1.00 0.00 O ATOM 571 CB LYS A 38 5.657 7.771 -3.260 1.00 0.00 C ATOM 572 CG LYS A 38 6.478 8.299 -4.443 1.00 0.00 C ATOM 573 CD LYS A 38 5.697 8.799 -5.673 1.00 0.00 C ATOM 574 CE LYS A 38 4.923 7.703 -6.411 1.00 0.00 C ATOM 575 NZ LYS A 38 4.589 8.082 -7.803 1.00 0.00 N ATOM 0 H LYS A 38 6.007 9.646 -1.362 1.00 0.00 H new ATOM 0 HA LYS A 38 4.038 9.117 -3.541 1.00 0.00 H new ATOM 0 HB2 LYS A 38 6.335 7.463 -2.464 1.00 0.00 H new ATOM 0 HB3 LYS A 38 5.110 6.882 -3.574 1.00 0.00 H new ATOM 0 HG2 LYS A 38 7.102 9.117 -4.083 1.00 0.00 H new ATOM 0 HG3 LYS A 38 7.150 7.505 -4.769 1.00 0.00 H new ATOM 0 HD2 LYS A 38 4.997 9.572 -5.356 1.00 0.00 H new ATOM 0 HD3 LYS A 38 6.395 9.266 -6.368 1.00 0.00 H new ATOM 0 HE2 LYS A 38 5.515 6.788 -6.419 1.00 0.00 H new ATOM 0 HE3 LYS A 38 4.004 7.483 -5.868 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 4.066 7.307 -8.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 4.001 8.940 -7.798 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 5.465 8.266 -8.332 1.00 0.00 H new ATOM 589 N ILE A 39 2.507 8.092 -1.865 1.00 0.00 N ATOM 590 CA ILE A 39 1.523 7.606 -0.917 1.00 0.00 C ATOM 591 C ILE A 39 0.731 6.543 -1.657 1.00 0.00 C ATOM 592 O ILE A 39 0.016 6.831 -2.620 1.00 0.00 O ATOM 593 CB ILE A 39 0.643 8.736 -0.356 1.00 0.00 C ATOM 594 CG1 ILE A 39 1.546 9.860 0.204 1.00 0.00 C ATOM 595 CG2 ILE A 39 -0.276 8.133 0.730 1.00 0.00 C ATOM 596 CD1 ILE A 39 0.775 11.054 0.747 1.00 0.00 C ATOM 0 H ILE A 39 2.107 8.326 -2.774 1.00 0.00 H new ATOM 0 HA ILE A 39 1.997 7.184 -0.031 1.00 0.00 H new ATOM 0 HB ILE A 39 0.020 9.178 -1.133 1.00 0.00 H new ATOM 0 HG12 ILE A 39 2.170 9.450 0.999 1.00 0.00 H new ATOM 0 HG13 ILE A 39 2.217 10.201 -0.584 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -0.911 8.916 1.144 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -0.899 7.355 0.288 1.00 0.00 H new ATOM 0 HG23 ILE A 39 0.334 7.702 1.524 1.00 0.00 H new ATOM 0 HD11 ILE A 39 1.476 11.800 1.122 1.00 0.00 H new ATOM 0 HD12 ILE A 39 0.172 11.490 -0.049 1.00 0.00 H new ATOM 0 HD13 ILE A 39 0.124 10.728 1.558 1.00 0.00 H new ATOM 608 N VAL A 40 0.912 5.300 -1.236 1.00 0.00 N ATOM 609 CA VAL A 40 0.155 4.166 -1.725 1.00 0.00 C ATOM 610 C VAL A 40 -1.199 4.208 -0.989 1.00 0.00 C ATOM 611 O VAL A 40 -1.252 4.670 0.145 1.00 0.00 O ATOM 612 CB VAL A 40 0.993 2.877 -1.490 1.00 0.00 C ATOM 613 CG1 VAL A 40 0.450 1.664 -2.251 1.00 0.00 C ATOM 614 CG2 VAL A 40 2.451 2.967 -1.953 1.00 0.00 C ATOM 0 H VAL A 40 1.605 5.050 -0.530 1.00 0.00 H new ATOM 0 HA VAL A 40 -0.048 4.187 -2.796 1.00 0.00 H new ATOM 0 HB VAL A 40 0.927 2.768 -0.407 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.077 0.796 -2.047 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.571 1.459 -1.928 1.00 0.00 H new ATOM 0 HG13 VAL A 40 0.457 1.873 -3.321 1.00 0.00 H new ATOM 0 HG21 VAL A 40 2.956 2.023 -1.749 1.00 0.00 H new ATOM 0 HG22 VAL A 40 2.481 3.171 -3.023 1.00 0.00 H new ATOM 0 HG23 VAL A 40 2.954 3.771 -1.416 1.00 0.00 H new ATOM 624 N TYR A 41 -2.299 3.763 -1.601 1.00 0.00 N ATOM 625 CA TYR A 41 -3.642 3.632 -1.024 1.00 0.00 C ATOM 626 C TYR A 41 -4.184 2.240 -1.319 1.00 0.00 C ATOM 627 O TYR A 41 -3.994 1.751 -2.434 1.00 0.00 O ATOM 628 CB TYR A 41 -4.601 4.653 -1.635 1.00 0.00 C ATOM 629 CG TYR A 41 -4.317 6.073 -1.218 1.00 0.00 C ATOM 630 CD1 TYR A 41 -3.254 6.777 -1.809 1.00 0.00 C ATOM 631 CD2 TYR A 41 -5.106 6.679 -0.224 1.00 0.00 C ATOM 632 CE1 TYR A 41 -2.986 8.095 -1.419 1.00 0.00 C ATOM 633 CE2 TYR A 41 -4.836 7.995 0.178 1.00 0.00 C ATOM 634 CZ TYR A 41 -3.772 8.710 -0.415 1.00 0.00 C ATOM 635 OH TYR A 41 -3.503 9.969 0.025 1.00 0.00 O ATOM 0 H TYR A 41 -2.275 3.465 -2.576 1.00 0.00 H new ATOM 0 HA TYR A 41 -3.568 3.803 0.050 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -4.547 4.585 -2.722 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -5.621 4.397 -1.350 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -2.644 6.302 -2.563 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -5.919 6.131 0.229 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -2.180 8.642 -1.884 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -5.441 8.462 0.941 1.00 0.00 H new ATOM 0 HH TYR A 41 -4.152 10.220 0.715 1.00 0.00 H new ATOM 645 N HIS A 42 -4.805 1.554 -0.355 1.00 0.00 N ATOM 646 CA HIS A 42 -5.330 0.201 -0.568 1.00 0.00 C ATOM 647 C HIS A 42 -6.848 0.256 -0.695 1.00 0.00 C ATOM 648 O HIS A 42 -7.509 1.113 -0.088 1.00 0.00 O ATOM 649 CB HIS A 42 -4.866 -0.765 0.535 1.00 0.00 C ATOM 650 CG HIS A 42 -5.312 -0.514 1.954 1.00 0.00 C ATOM 651 ND1 HIS A 42 -6.453 -1.017 2.541 1.00 0.00 N ATOM 652 CD2 HIS A 42 -4.542 0.022 2.951 1.00 0.00 C ATOM 653 CE1 HIS A 42 -6.377 -0.766 3.858 1.00 0.00 C ATOM 654 NE2 HIS A 42 -5.226 -0.137 4.162 1.00 0.00 N ATOM 0 H HIS A 42 -4.957 1.916 0.586 1.00 0.00 H new ATOM 0 HA HIS A 42 -4.928 -0.194 -1.501 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -5.196 -1.766 0.257 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -3.776 -0.775 0.528 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -3.575 0.487 2.825 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -7.137 -1.033 4.577 1.00 0.00 H new ATOM 0 HE2 HIS A 42 -4.916 0.163 5.086 1.00 0.00 H new ATOM 662 N THR A 43 -7.407 -0.656 -1.488 1.00 0.00 N ATOM 663 CA THR A 43 -8.847 -0.802 -1.584 1.00 0.00 C ATOM 664 C THR A 43 -9.365 -1.397 -0.282 1.00 0.00 C ATOM 665 O THR A 43 -8.730 -2.277 0.305 1.00 0.00 O ATOM 666 CB THR A 43 -9.253 -1.596 -2.832 1.00 0.00 C ATOM 667 OG1 THR A 43 -8.675 -2.875 -2.888 1.00 0.00 O ATOM 668 CG2 THR A 43 -8.787 -0.813 -4.058 1.00 0.00 C ATOM 0 H THR A 43 -6.878 -1.304 -2.072 1.00 0.00 H new ATOM 0 HA THR A 43 -9.315 0.174 -1.714 1.00 0.00 H new ATOM 0 HB THR A 43 -10.335 -1.728 -2.800 1.00 0.00 H new ATOM 0 HG1 THR A 43 -9.246 -3.513 -2.411 1.00 0.00 H new ATOM 0 HG21 THR A 43 -9.063 -1.355 -4.962 1.00 0.00 H new ATOM 0 HG22 THR A 43 -9.261 0.169 -4.065 1.00 0.00 H new ATOM 0 HG23 THR A 43 -7.704 -0.693 -4.023 1.00 0.00 H new ATOM 676 N LEU A 44 -10.518 -0.913 0.179 1.00 0.00 N ATOM 677 CA LEU A 44 -11.234 -1.557 1.272 1.00 0.00 C ATOM 678 C LEU A 44 -11.642 -2.973 0.871 1.00 0.00 C ATOM 679 O LEU A 44 -11.557 -3.891 1.682 1.00 0.00 O ATOM 680 CB LEU A 44 -12.488 -0.755 1.648 1.00 0.00 C ATOM 681 CG LEU A 44 -12.212 0.663 2.168 1.00 0.00 C ATOM 682 CD1 LEU A 44 -13.500 1.286 2.700 1.00 0.00 C ATOM 683 CD2 LEU A 44 -11.175 0.662 3.285 1.00 0.00 C ATOM 0 H LEU A 44 -10.973 -0.078 -0.189 1.00 0.00 H new ATOM 0 HA LEU A 44 -10.569 -1.599 2.134 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -13.135 -0.687 0.773 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -13.040 -1.306 2.410 1.00 0.00 H new ATOM 0 HG LEU A 44 -11.825 1.245 1.331 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -13.293 2.292 3.066 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -14.238 1.336 1.899 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -13.890 0.676 3.515 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -11.007 1.683 3.626 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -11.536 0.056 4.116 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -10.239 0.245 2.912 1.00 0.00 H new ATOM 695 N GLU A 45 -12.089 -3.150 -0.370 1.00 0.00 N ATOM 696 CA GLU A 45 -12.574 -4.427 -0.873 1.00 0.00 C ATOM 697 C GLU A 45 -11.427 -5.275 -1.424 1.00 0.00 C ATOM 698 O GLU A 45 -10.337 -4.768 -1.712 1.00 0.00 O ATOM 699 CB GLU A 45 -13.658 -4.161 -1.925 1.00 0.00 C ATOM 700 CG GLU A 45 -14.981 -3.819 -1.230 1.00 0.00 C ATOM 701 CD GLU A 45 -15.932 -2.983 -2.089 1.00 0.00 C ATOM 702 OE1 GLU A 45 -16.236 -3.310 -3.255 1.00 0.00 O ATOM 703 OE2 GLU A 45 -16.435 -1.962 -1.563 1.00 0.00 O ATOM 0 H GLU A 45 -12.124 -2.400 -1.061 1.00 0.00 H new ATOM 0 HA GLU A 45 -13.012 -5.004 -0.058 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -13.354 -3.340 -2.574 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -13.786 -5.038 -2.559 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -15.482 -4.745 -0.946 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -14.767 -3.277 -0.309 1.00 0.00 H new ATOM 710 N SER A 46 -11.715 -6.571 -1.558 1.00 0.00 N ATOM 711 CA SER A 46 -10.786 -7.638 -1.884 1.00 0.00 C ATOM 712 C SER A 46 -11.007 -8.167 -3.314 1.00 0.00 C ATOM 713 O SER A 46 -12.137 -8.128 -3.810 1.00 0.00 O ATOM 714 CB SER A 46 -10.938 -8.761 -0.855 1.00 0.00 C ATOM 715 OG SER A 46 -12.287 -9.184 -0.754 1.00 0.00 O ATOM 0 H SER A 46 -12.666 -6.918 -1.432 1.00 0.00 H new ATOM 0 HA SER A 46 -9.770 -7.244 -1.848 1.00 0.00 H new ATOM 0 HB2 SER A 46 -10.310 -9.605 -1.139 1.00 0.00 H new ATOM 0 HB3 SER A 46 -10.588 -8.416 0.118 1.00 0.00 H new ATOM 0 HG SER A 46 -12.356 -9.903 -0.091 1.00 0.00 H new ATOM 721 N PRO A 47 -9.977 -8.743 -3.956 1.00 0.00 N ATOM 722 CA PRO A 47 -8.600 -8.684 -3.499 1.00 0.00 C ATOM 723 C PRO A 47 -8.136 -7.236 -3.500 1.00 0.00 C ATOM 724 O PRO A 47 -8.653 -6.399 -4.245 1.00 0.00 O ATOM 725 CB PRO A 47 -7.801 -9.554 -4.447 1.00 0.00 C ATOM 726 CG PRO A 47 -8.584 -9.441 -5.748 1.00 0.00 C ATOM 727 CD PRO A 47 -10.037 -9.299 -5.297 1.00 0.00 C ATOM 0 HA PRO A 47 -8.475 -9.049 -2.480 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -6.777 -9.197 -4.559 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -7.743 -10.585 -4.098 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -8.262 -8.580 -6.333 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -8.445 -10.322 -6.375 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -10.594 -8.645 -5.968 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -10.544 -10.264 -5.299 1.00 0.00 H new ATOM 735 N VAL A 48 -7.264 -6.940 -2.547 1.00 0.00 N ATOM 736 CA VAL A 48 -6.876 -5.579 -2.284 1.00 0.00 C ATOM 737 C VAL A 48 -5.953 -5.168 -3.422 1.00 0.00 C ATOM 738 O VAL A 48 -4.928 -5.804 -3.676 1.00 0.00 O ATOM 739 CB VAL A 48 -6.320 -5.449 -0.862 1.00 0.00 C ATOM 740 CG1 VAL A 48 -5.702 -4.073 -0.657 1.00 0.00 C ATOM 741 CG2 VAL A 48 -7.448 -5.672 0.163 1.00 0.00 C ATOM 0 H VAL A 48 -6.816 -7.632 -1.947 1.00 0.00 H new ATOM 0 HA VAL A 48 -7.709 -4.876 -2.281 1.00 0.00 H new ATOM 0 HB VAL A 48 -5.548 -6.205 -0.719 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -5.312 -3.997 0.358 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -4.890 -3.929 -1.370 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -6.461 -3.306 -0.812 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -7.046 -5.578 1.172 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -8.229 -4.927 0.013 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -7.868 -6.669 0.031 1.00 0.00 H new ATOM 751 N GLU A 49 -6.371 -4.154 -4.165 1.00 0.00 N ATOM 752 CA GLU A 49 -5.511 -3.456 -5.093 1.00 0.00 C ATOM 753 C GLU A 49 -4.842 -2.316 -4.342 1.00 0.00 C ATOM 754 O GLU A 49 -5.303 -1.865 -3.288 1.00 0.00 O ATOM 755 CB GLU A 49 -6.312 -2.980 -6.312 1.00 0.00 C ATOM 756 CG GLU A 49 -6.546 -4.180 -7.240 1.00 0.00 C ATOM 757 CD GLU A 49 -7.187 -3.796 -8.574 1.00 0.00 C ATOM 758 OE1 GLU A 49 -8.113 -2.955 -8.601 1.00 0.00 O ATOM 759 OE2 GLU A 49 -6.861 -4.437 -9.602 1.00 0.00 O ATOM 0 H GLU A 49 -7.325 -3.794 -4.136 1.00 0.00 H new ATOM 0 HA GLU A 49 -4.737 -4.116 -5.484 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -7.264 -2.554 -5.997 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -5.770 -2.194 -6.838 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -5.593 -4.674 -7.431 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -7.184 -4.904 -6.733 1.00 0.00 H new ATOM 766 N PHE A 50 -3.719 -1.873 -4.892 1.00 0.00 N ATOM 767 CA PHE A 50 -2.766 -1.037 -4.203 1.00 0.00 C ATOM 768 C PHE A 50 -2.448 0.098 -5.149 1.00 0.00 C ATOM 769 O PHE A 50 -1.608 -0.050 -6.028 1.00 0.00 O ATOM 770 CB PHE A 50 -1.523 -1.862 -3.872 1.00 0.00 C ATOM 771 CG PHE A 50 -1.759 -3.084 -2.997 1.00 0.00 C ATOM 772 CD1 PHE A 50 -1.821 -2.946 -1.601 1.00 0.00 C ATOM 773 CD2 PHE A 50 -1.854 -4.370 -3.564 1.00 0.00 C ATOM 774 CE1 PHE A 50 -1.978 -4.064 -0.773 1.00 0.00 C ATOM 775 CE2 PHE A 50 -2.003 -5.495 -2.734 1.00 0.00 C ATOM 776 CZ PHE A 50 -2.060 -5.346 -1.336 1.00 0.00 C ATOM 0 H PHE A 50 -3.447 -2.094 -5.850 1.00 0.00 H new ATOM 0 HA PHE A 50 -3.152 -0.646 -3.261 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -1.067 -2.189 -4.806 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -0.801 -1.215 -3.374 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -1.746 -1.963 -1.160 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -1.812 -4.492 -4.636 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -2.036 -3.939 0.298 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -2.074 -6.480 -3.172 1.00 0.00 H new ATOM 0 HZ PHE A 50 -2.166 -6.213 -0.701 1.00 0.00 H new ATOM 786 N HIS A 51 -3.190 1.190 -5.065 1.00 0.00 N ATOM 787 CA HIS A 51 -2.945 2.337 -5.924 1.00 0.00 C ATOM 788 C HIS A 51 -1.751 3.089 -5.360 1.00 0.00 C ATOM 789 O HIS A 51 -1.519 3.062 -4.157 1.00 0.00 O ATOM 790 CB HIS A 51 -4.168 3.261 -6.036 1.00 0.00 C ATOM 791 CG HIS A 51 -5.516 2.578 -6.038 1.00 0.00 C ATOM 792 ND1 HIS A 51 -5.788 1.323 -6.508 1.00 0.00 N flip ATOM 793 CD2 HIS A 51 -6.689 3.089 -5.527 1.00 0.00 C flip ATOM 794 CE1 HIS A 51 -7.142 1.068 -6.293 1.00 0.00 C flip ATOM 795 NE2 HIS A 51 -7.635 2.145 -5.664 1.00 0.00 N flip ATOM 0 H HIS A 51 -3.965 1.306 -4.412 1.00 0.00 H new ATOM 0 HA HIS A 51 -2.742 1.987 -6.936 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -4.142 3.967 -5.206 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -4.076 3.843 -6.953 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -6.823 4.070 -5.095 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -7.686 0.179 -6.577 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -8.596 2.235 -5.335 1.00 0.00 H new ATOM 803 N LEU A 52 -1.020 3.810 -6.193 1.00 0.00 N ATOM 804 CA LEU A 52 0.054 4.690 -5.787 1.00 0.00 C ATOM 805 C LEU A 52 -0.050 5.935 -6.626 1.00 0.00 C ATOM 806 O LEU A 52 0.216 5.896 -7.831 1.00 0.00 O ATOM 807 CB LEU A 52 1.421 4.021 -5.969 1.00 0.00 C ATOM 808 CG LEU A 52 2.594 5.008 -5.804 1.00 0.00 C ATOM 809 CD1 LEU A 52 2.737 5.560 -4.381 1.00 0.00 C ATOM 810 CD2 LEU A 52 3.877 4.306 -6.219 1.00 0.00 C ATOM 0 H LEU A 52 -1.165 3.796 -7.203 1.00 0.00 H new ATOM 0 HA LEU A 52 -0.035 4.931 -4.728 1.00 0.00 H new ATOM 0 HB2 LEU A 52 1.526 3.214 -5.243 1.00 0.00 H new ATOM 0 HB3 LEU A 52 1.470 3.567 -6.959 1.00 0.00 H new ATOM 0 HG LEU A 52 2.389 5.869 -6.440 1.00 0.00 H new ATOM 0 HD11 LEU A 52 3.582 6.247 -4.340 1.00 0.00 H new ATOM 0 HD12 LEU A 52 1.826 6.089 -4.103 1.00 0.00 H new ATOM 0 HD13 LEU A 52 2.905 4.737 -3.687 1.00 0.00 H new ATOM 0 HD21 LEU A 52 4.718 4.990 -6.109 1.00 0.00 H new ATOM 0 HD22 LEU A 52 4.035 3.432 -5.587 1.00 0.00 H new ATOM 0 HD23 LEU A 52 3.799 3.991 -7.260 1.00 0.00 H new ATOM 822 N ASP A 53 -0.396 7.040 -5.977 1.00 0.00 N ATOM 823 CA ASP A 53 -0.457 8.357 -6.593 1.00 0.00 C ATOM 824 C ASP A 53 -1.381 8.382 -7.819 1.00 0.00 C ATOM 825 O ASP A 53 -1.237 9.230 -8.699 1.00 0.00 O ATOM 826 CB ASP A 53 0.971 8.834 -6.905 1.00 0.00 C ATOM 827 CG ASP A 53 1.067 10.351 -7.019 1.00 0.00 C ATOM 828 OD1 ASP A 53 0.459 11.064 -6.183 1.00 0.00 O ATOM 829 OD2 ASP A 53 1.845 10.830 -7.867 1.00 0.00 O ATOM 0 H ASP A 53 -0.647 7.044 -4.988 1.00 0.00 H new ATOM 0 HA ASP A 53 -0.905 9.060 -5.891 1.00 0.00 H new ATOM 0 HB2 ASP A 53 1.646 8.488 -6.122 1.00 0.00 H new ATOM 0 HB3 ASP A 53 1.307 8.381 -7.838 1.00 0.00 H new ATOM 834 N GLY A 54 -2.341 7.454 -7.871 1.00 0.00 N ATOM 835 CA GLY A 54 -3.314 7.317 -8.937 1.00 0.00 C ATOM 836 C GLY A 54 -3.009 6.200 -9.934 1.00 0.00 C ATOM 837 O GLY A 54 -3.852 5.937 -10.793 1.00 0.00 O ATOM 0 H GLY A 54 -2.459 6.754 -7.138 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -4.294 7.135 -8.496 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -3.378 8.262 -9.477 1.00 0.00 H new ATOM 841 N GLU A 55 -1.854 5.528 -9.861 1.00 0.00 N ATOM 842 CA GLU A 55 -1.594 4.302 -10.616 1.00 0.00 C ATOM 843 C GLU A 55 -2.036 3.119 -9.770 1.00 0.00 C ATOM 844 O GLU A 55 -1.459 2.884 -8.718 1.00 0.00 O ATOM 845 CB GLU A 55 -0.102 4.159 -10.980 1.00 0.00 C ATOM 846 CG GLU A 55 0.114 4.582 -12.433 1.00 0.00 C ATOM 847 CD GLU A 55 1.555 4.423 -12.936 1.00 0.00 C ATOM 848 OE1 GLU A 55 2.340 3.596 -12.410 1.00 0.00 O ATOM 849 OE2 GLU A 55 1.910 5.136 -13.902 1.00 0.00 O ATOM 0 H GLU A 55 -1.073 5.822 -9.274 1.00 0.00 H new ATOM 0 HA GLU A 55 -2.152 4.339 -11.552 1.00 0.00 H new ATOM 0 HB2 GLU A 55 0.505 4.775 -10.317 1.00 0.00 H new ATOM 0 HB3 GLU A 55 0.220 3.127 -10.839 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -0.547 3.995 -13.071 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -0.182 5.625 -12.542 1.00 0.00 H new ATOM 856 N VAL A 56 -3.044 2.363 -10.199 1.00 0.00 N ATOM 857 CA VAL A 56 -3.310 1.037 -9.648 1.00 0.00 C ATOM 858 C VAL A 56 -2.039 0.200 -9.846 1.00 0.00 C ATOM 859 O VAL A 56 -1.481 0.179 -10.948 1.00 0.00 O ATOM 860 CB VAL A 56 -4.528 0.395 -10.353 1.00 0.00 C ATOM 861 CG1 VAL A 56 -4.905 -0.956 -9.729 1.00 0.00 C ATOM 862 CG2 VAL A 56 -5.760 1.310 -10.294 1.00 0.00 C ATOM 0 H VAL A 56 -3.694 2.649 -10.931 1.00 0.00 H new ATOM 0 HA VAL A 56 -3.556 1.095 -8.588 1.00 0.00 H new ATOM 0 HB VAL A 56 -4.228 0.244 -11.390 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -5.765 -1.372 -10.254 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -4.063 -1.643 -9.812 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -5.156 -0.814 -8.678 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -6.596 0.827 -10.799 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -6.024 1.498 -9.253 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -5.535 2.255 -10.788 1.00 0.00 H new ATOM 872 N LEU A 57 -1.564 -0.469 -8.798 1.00 0.00 N ATOM 873 CA LEU A 57 -0.489 -1.443 -8.845 1.00 0.00 C ATOM 874 C LEU A 57 -1.094 -2.787 -8.437 1.00 0.00 C ATOM 875 O LEU A 57 -2.242 -2.862 -7.987 1.00 0.00 O ATOM 876 CB LEU A 57 0.665 -1.064 -7.894 1.00 0.00 C ATOM 877 CG LEU A 57 1.018 0.437 -7.780 1.00 0.00 C ATOM 878 CD1 LEU A 57 1.960 0.627 -6.585 1.00 0.00 C ATOM 879 CD2 LEU A 57 1.591 0.973 -9.096 1.00 0.00 C ATOM 0 H LEU A 57 -1.936 -0.338 -7.857 1.00 0.00 H new ATOM 0 HA LEU A 57 -0.064 -1.485 -9.848 1.00 0.00 H new ATOM 0 HB2 LEU A 57 0.417 -1.430 -6.898 1.00 0.00 H new ATOM 0 HB3 LEU A 57 1.559 -1.598 -8.216 1.00 0.00 H new ATOM 0 HG LEU A 57 0.119 1.025 -7.598 1.00 0.00 H new ATOM 0 HD11 LEU A 57 2.219 1.681 -6.490 1.00 0.00 H new ATOM 0 HD12 LEU A 57 1.464 0.292 -5.674 1.00 0.00 H new ATOM 0 HD13 LEU A 57 2.867 0.043 -6.740 1.00 0.00 H new ATOM 0 HD21 LEU A 57 1.830 2.031 -8.985 1.00 0.00 H new ATOM 0 HD22 LEU A 57 2.496 0.422 -9.350 1.00 0.00 H new ATOM 0 HD23 LEU A 57 0.855 0.849 -9.891 1.00 0.00 H new ATOM 891 N SER A 58 -0.303 -3.849 -8.556 1.00 0.00 N ATOM 892 CA SER A 58 -0.681 -5.194 -8.159 1.00 0.00 C ATOM 893 C SER A 58 0.291 -5.669 -7.083 1.00 0.00 C ATOM 894 O SER A 58 1.333 -5.041 -6.898 1.00 0.00 O ATOM 895 CB SER A 58 -0.651 -6.064 -9.410 1.00 0.00 C ATOM 896 OG SER A 58 -1.732 -5.755 -10.269 1.00 0.00 O ATOM 0 H SER A 58 0.640 -3.793 -8.941 1.00 0.00 H new ATOM 0 HA SER A 58 -1.683 -5.242 -7.734 1.00 0.00 H new ATOM 0 HB2 SER A 58 0.291 -5.916 -9.938 1.00 0.00 H new ATOM 0 HB3 SER A 58 -0.696 -7.116 -9.127 1.00 0.00 H new ATOM 0 HG SER A 58 -1.690 -6.325 -11.065 1.00 0.00 H new ATOM 902 N LEU A 59 -0.028 -6.756 -6.374 1.00 0.00 N ATOM 903 CA LEU A 59 0.673 -7.152 -5.148 1.00 0.00 C ATOM 904 C LEU A 59 2.146 -7.417 -5.426 1.00 0.00 C ATOM 905 O LEU A 59 3.008 -7.108 -4.608 1.00 0.00 O ATOM 906 CB LEU A 59 0.007 -8.414 -4.570 1.00 0.00 C ATOM 907 CG LEU A 59 0.736 -9.036 -3.360 1.00 0.00 C ATOM 908 CD1 LEU A 59 0.767 -8.101 -2.149 1.00 0.00 C ATOM 909 CD2 LEU A 59 0.046 -10.337 -2.946 1.00 0.00 C ATOM 0 H LEU A 59 -0.784 -7.389 -6.635 1.00 0.00 H new ATOM 0 HA LEU A 59 0.609 -6.339 -4.425 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -1.012 -8.166 -4.274 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -0.063 -9.164 -5.358 1.00 0.00 H new ATOM 0 HG LEU A 59 1.762 -9.222 -3.676 1.00 0.00 H new ATOM 0 HD11 LEU A 59 1.291 -8.588 -1.327 1.00 0.00 H new ATOM 0 HD12 LEU A 59 1.285 -7.179 -2.414 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -0.253 -7.869 -1.842 1.00 0.00 H new ATOM 0 HD21 LEU A 59 0.567 -10.769 -2.092 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -0.989 -10.129 -2.673 1.00 0.00 H new ATOM 0 HD23 LEU A 59 0.067 -11.041 -3.778 1.00 0.00 H new ATOM 921 N ASP A 60 2.409 -8.023 -6.577 1.00 0.00 N ATOM 922 CA ASP A 60 3.722 -8.478 -6.998 1.00 0.00 C ATOM 923 C ASP A 60 4.582 -7.315 -7.469 1.00 0.00 C ATOM 924 O ASP A 60 5.746 -7.228 -7.076 1.00 0.00 O ATOM 925 CB ASP A 60 3.517 -9.514 -8.112 1.00 0.00 C ATOM 926 CG ASP A 60 4.139 -10.861 -7.768 1.00 0.00 C ATOM 927 OD1 ASP A 60 5.335 -11.079 -8.057 1.00 0.00 O ATOM 928 OD2 ASP A 60 3.401 -11.705 -7.201 1.00 0.00 O ATOM 0 H ASP A 60 1.684 -8.217 -7.267 1.00 0.00 H new ATOM 0 HA ASP A 60 4.253 -8.931 -6.161 1.00 0.00 H new ATOM 0 HB2 ASP A 60 2.450 -9.644 -8.293 1.00 0.00 H new ATOM 0 HB3 ASP A 60 3.954 -9.140 -9.038 1.00 0.00 H new ATOM 933 N LYS A 61 4.015 -6.401 -8.267 1.00 0.00 N ATOM 934 CA LYS A 61 4.704 -5.183 -8.682 1.00 0.00 C ATOM 935 C LYS A 61 4.988 -4.349 -7.457 1.00 0.00 C ATOM 936 O LYS A 61 6.114 -3.899 -7.312 1.00 0.00 O ATOM 937 CB LYS A 61 3.893 -4.359 -9.712 1.00 0.00 C ATOM 938 CG LYS A 61 4.633 -4.330 -11.062 1.00 0.00 C ATOM 939 CD LYS A 61 4.141 -3.254 -12.044 1.00 0.00 C ATOM 940 CE LYS A 61 2.704 -3.443 -12.549 1.00 0.00 C ATOM 941 NZ LYS A 61 2.553 -4.589 -13.473 1.00 0.00 N ATOM 0 H LYS A 61 3.069 -6.489 -8.639 1.00 0.00 H new ATOM 0 HA LYS A 61 5.632 -5.471 -9.177 1.00 0.00 H new ATOM 0 HB2 LYS A 61 2.902 -4.795 -9.840 1.00 0.00 H new ATOM 0 HB3 LYS A 61 3.749 -3.343 -9.345 1.00 0.00 H new ATOM 0 HG2 LYS A 61 5.695 -4.173 -10.875 1.00 0.00 H new ATOM 0 HG3 LYS A 61 4.534 -5.307 -11.536 1.00 0.00 H new ATOM 0 HD2 LYS A 61 4.214 -2.281 -11.559 1.00 0.00 H new ATOM 0 HD3 LYS A 61 4.812 -3.234 -12.903 1.00 0.00 H new ATOM 0 HE2 LYS A 61 2.042 -3.585 -11.695 1.00 0.00 H new ATOM 0 HE3 LYS A 61 2.382 -2.533 -13.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 1.561 -4.662 -13.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 3.160 -4.446 -14.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 2.831 -5.466 -12.987 1.00 0.00 H new ATOM 955 N LEU A 62 3.996 -4.161 -6.584 1.00 0.00 N ATOM 956 CA LEU A 62 4.095 -3.324 -5.403 1.00 0.00 C ATOM 957 C LEU A 62 5.368 -3.626 -4.630 1.00 0.00 C ATOM 958 O LEU A 62 6.128 -2.699 -4.389 1.00 0.00 O ATOM 959 CB LEU A 62 2.846 -3.477 -4.539 1.00 0.00 C ATOM 960 CG LEU A 62 2.883 -2.639 -3.248 1.00 0.00 C ATOM 961 CD1 LEU A 62 2.924 -1.131 -3.536 1.00 0.00 C ATOM 962 CD2 LEU A 62 1.616 -2.906 -2.445 1.00 0.00 C ATOM 0 H LEU A 62 3.082 -4.601 -6.688 1.00 0.00 H new ATOM 0 HA LEU A 62 4.153 -2.281 -5.714 1.00 0.00 H new ATOM 0 HB2 LEU A 62 1.972 -3.189 -5.124 1.00 0.00 H new ATOM 0 HB3 LEU A 62 2.722 -4.528 -4.277 1.00 0.00 H new ATOM 0 HG LEU A 62 3.784 -2.924 -2.705 1.00 0.00 H new ATOM 0 HD11 LEU A 62 2.949 -0.581 -2.595 1.00 0.00 H new ATOM 0 HD12 LEU A 62 3.815 -0.896 -4.118 1.00 0.00 H new ATOM 0 HD13 LEU A 62 2.037 -0.844 -4.100 1.00 0.00 H new ATOM 0 HD21 LEU A 62 1.635 -2.316 -1.529 1.00 0.00 H new ATOM 0 HD22 LEU A 62 0.744 -2.628 -3.038 1.00 0.00 H new ATOM 0 HD23 LEU A 62 1.561 -3.965 -2.193 1.00 0.00 H new ATOM 974 N LYS A 63 5.672 -4.889 -4.307 1.00 0.00 N ATOM 975 CA LYS A 63 6.889 -5.180 -3.550 1.00 0.00 C ATOM 976 C LYS A 63 8.122 -4.635 -4.256 1.00 0.00 C ATOM 977 O LYS A 63 9.004 -4.047 -3.625 1.00 0.00 O ATOM 978 CB LYS A 63 7.104 -6.691 -3.337 1.00 0.00 C ATOM 979 CG LYS A 63 5.958 -7.395 -2.616 1.00 0.00 C ATOM 980 CD LYS A 63 6.178 -8.901 -2.512 1.00 0.00 C ATOM 981 CE LYS A 63 4.959 -9.517 -1.823 1.00 0.00 C ATOM 982 NZ LYS A 63 4.990 -10.995 -1.847 1.00 0.00 N ATOM 0 H LYS A 63 5.108 -5.703 -4.551 1.00 0.00 H new ATOM 0 HA LYS A 63 6.754 -4.695 -2.583 1.00 0.00 H new ATOM 0 HB2 LYS A 63 7.252 -7.165 -4.307 1.00 0.00 H new ATOM 0 HB3 LYS A 63 8.021 -6.838 -2.767 1.00 0.00 H new ATOM 0 HG2 LYS A 63 5.849 -6.976 -1.616 1.00 0.00 H new ATOM 0 HG3 LYS A 63 5.025 -7.202 -3.146 1.00 0.00 H new ATOM 0 HD2 LYS A 63 6.314 -9.334 -3.503 1.00 0.00 H new ATOM 0 HD3 LYS A 63 7.084 -9.114 -1.944 1.00 0.00 H new ATOM 0 HE2 LYS A 63 4.916 -9.173 -0.790 1.00 0.00 H new ATOM 0 HE3 LYS A 63 4.051 -9.167 -2.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 4.145 -11.368 -1.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 5.005 -11.326 -2.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 5.842 -11.332 -1.356 1.00 0.00 H new ATOM 996 N SER A 64 8.193 -4.863 -5.563 1.00 0.00 N ATOM 997 CA SER A 64 9.291 -4.406 -6.395 1.00 0.00 C ATOM 998 C SER A 64 9.341 -2.880 -6.488 1.00 0.00 C ATOM 999 O SER A 64 10.426 -2.313 -6.425 1.00 0.00 O ATOM 1000 CB SER A 64 9.205 -5.109 -7.750 1.00 0.00 C ATOM 1001 OG SER A 64 9.454 -6.484 -7.503 1.00 0.00 O ATOM 0 H SER A 64 7.478 -5.378 -6.077 1.00 0.00 H new ATOM 0 HA SER A 64 10.243 -4.678 -5.939 1.00 0.00 H new ATOM 0 HB2 SER A 64 8.222 -4.967 -8.200 1.00 0.00 H new ATOM 0 HB3 SER A 64 9.937 -4.701 -8.447 1.00 0.00 H new ATOM 0 HG SER A 64 9.408 -6.981 -8.346 1.00 0.00 H new ATOM 1007 N LEU A 65 8.194 -2.206 -6.565 1.00 0.00 N ATOM 1008 CA LEU A 65 8.105 -0.751 -6.557 1.00 0.00 C ATOM 1009 C LEU A 65 8.534 -0.179 -5.209 1.00 0.00 C ATOM 1010 O LEU A 65 9.243 0.825 -5.155 1.00 0.00 O ATOM 1011 CB LEU A 65 6.683 -0.290 -6.910 1.00 0.00 C ATOM 1012 CG LEU A 65 6.177 -0.655 -8.320 1.00 0.00 C ATOM 1013 CD1 LEU A 65 4.916 0.146 -8.592 1.00 0.00 C ATOM 1014 CD2 LEU A 65 7.186 -0.357 -9.434 1.00 0.00 C ATOM 0 H LEU A 65 7.286 -2.666 -6.636 1.00 0.00 H new ATOM 0 HA LEU A 65 8.789 -0.372 -7.317 1.00 0.00 H new ATOM 0 HB2 LEU A 65 5.995 -0.714 -6.179 1.00 0.00 H new ATOM 0 HB3 LEU A 65 6.637 0.793 -6.800 1.00 0.00 H new ATOM 0 HG LEU A 65 6.002 -1.731 -8.329 1.00 0.00 H new ATOM 0 HD11 LEU A 65 4.539 -0.096 -9.586 1.00 0.00 H new ATOM 0 HD12 LEU A 65 4.160 -0.101 -7.847 1.00 0.00 H new ATOM 0 HD13 LEU A 65 5.143 1.211 -8.539 1.00 0.00 H new ATOM 0 HD21 LEU A 65 6.760 -0.640 -10.396 1.00 0.00 H new ATOM 0 HD22 LEU A 65 7.418 0.708 -9.439 1.00 0.00 H new ATOM 0 HD23 LEU A 65 8.099 -0.927 -9.260 1.00 0.00 H new ATOM 1026 N LEU A 66 8.162 -0.819 -4.104 1.00 0.00 N ATOM 1027 CA LEU A 66 8.491 -0.314 -2.776 1.00 0.00 C ATOM 1028 C LEU A 66 9.982 -0.463 -2.445 1.00 0.00 C ATOM 1029 O LEU A 66 10.448 0.121 -1.466 1.00 0.00 O ATOM 1030 CB LEU A 66 7.658 -1.021 -1.710 1.00 0.00 C ATOM 1031 CG LEU A 66 6.143 -0.779 -1.796 1.00 0.00 C ATOM 1032 CD1 LEU A 66 5.416 -1.737 -0.869 1.00 0.00 C ATOM 1033 CD2 LEU A 66 5.737 0.620 -1.375 1.00 0.00 C ATOM 0 H LEU A 66 7.631 -1.690 -4.103 1.00 0.00 H new ATOM 0 HA LEU A 66 8.256 0.750 -2.780 1.00 0.00 H new ATOM 0 HB2 LEU A 66 7.843 -2.093 -1.779 1.00 0.00 H new ATOM 0 HB3 LEU A 66 8.006 -0.700 -0.728 1.00 0.00 H new ATOM 0 HG LEU A 66 5.878 -0.928 -2.843 1.00 0.00 H new ATOM 0 HD11 LEU A 66 4.342 -1.561 -0.934 1.00 0.00 H new ATOM 0 HD12 LEU A 66 5.634 -2.764 -1.163 1.00 0.00 H new ATOM 0 HD13 LEU A 66 5.749 -1.575 0.156 1.00 0.00 H new ATOM 0 HD21 LEU A 66 4.655 0.726 -1.459 1.00 0.00 H new ATOM 0 HD22 LEU A 66 6.039 0.791 -0.342 1.00 0.00 H new ATOM 0 HD23 LEU A 66 6.224 1.350 -2.021 1.00 0.00 H new ATOM 1045 N SER A 67 10.726 -1.233 -3.243 1.00 0.00 N ATOM 1046 CA SER A 67 12.168 -1.100 -3.362 1.00 0.00 C ATOM 1047 C SER A 67 12.458 0.180 -4.165 1.00 0.00 C ATOM 1048 O SER A 67 12.112 1.286 -3.690 1.00 0.00 O ATOM 1049 CB SER A 67 12.706 -2.383 -4.010 1.00 0.00 C ATOM 1050 OG SER A 67 13.235 -3.270 -3.037 1.00 0.00 O ATOM 0 H SER A 67 10.334 -1.971 -3.828 1.00 0.00 H new ATOM 0 HA SER A 67 12.673 -0.994 -2.402 1.00 0.00 H new ATOM 0 HB2 SER A 67 11.906 -2.878 -4.560 1.00 0.00 H new ATOM 0 HB3 SER A 67 13.481 -2.130 -4.734 1.00 0.00 H new ATOM 0 HG SER A 67 13.569 -4.079 -3.479 1.00 0.00 H new TER 1056 SER A 67