USER MOD reduce.3.24.130724 H: found=0, std=0, add=573, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 573 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 60 ASN : amide:sc= 0.741 K(o=1.6,f=-0.63) USER MOD Set 1.2: A 62 GLN : amide:sc= 0.843 K(o=1.6,f=-0.25) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0.0351 USER MOD Single : A 11 LYS NZ :NH3+ -151:sc= 0 (180deg=-0.0239) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0.0555 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.386 USER MOD Single : A 25 ASN : amide:sc= -0.927 K(o=-0.93,f=-6.1!) USER MOD Single : A 27 LYS NZ :NH3+ -151:sc= 2.3 (180deg=0.00595) USER MOD Single : A 29 LYS NZ :NH3+ -178:sc= 0.779 (180deg=0.77) USER MOD Single : A 31 GLN : amide:sc= 1.24 K(o=1.2,f=-0.021) USER MOD Single : A 33 LYS NZ :NH3+ 165:sc= 0.906 (180deg=0.75) USER MOD Single : A 40 GLN : amide:sc= 0.157 X(o=0.16,f=-0.04) USER MOD Single : A 41 ASN : amide:sc= -1.06 K(o=-1.1,f=-4!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0.531 K(o=0.53,f=-4.1!) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 90:sc= 0.157 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 115:sc= 0.288 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=-0.076) USER MOD ----------------------------------------------------------------- ATOM 20 N GLN A 2 -5.250 -12.533 5.035 1.00 0.00 N ATOM 21 CA GLN A 2 -3.846 -12.147 5.018 1.00 0.00 C ATOM 22 C GLN A 2 -3.399 -11.709 3.613 1.00 0.00 C ATOM 23 O GLN A 2 -3.682 -12.398 2.625 1.00 0.00 O ATOM 24 CB GLN A 2 -3.026 -13.308 5.585 1.00 0.00 C ATOM 25 CG GLN A 2 -1.540 -12.972 5.759 1.00 0.00 C ATOM 26 CD GLN A 2 -0.941 -13.785 6.898 1.00 0.00 C ATOM 27 OE1 GLN A 2 -0.425 -14.873 6.722 1.00 0.00 O ATOM 28 NE2 GLN A 2 -1.196 -13.411 8.133 1.00 0.00 N ATOM 0 HA GLN A 2 -3.683 -11.272 5.647 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -3.441 -13.600 6.550 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -3.122 -14.169 4.923 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -1.003 -13.180 4.834 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -1.423 -11.908 5.963 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -1.628 -12.505 8.312 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -0.962 -14.027 8.911 1.00 0.00 H new ATOM 37 N ILE A 3 -2.691 -10.580 3.534 1.00 0.00 N ATOM 38 CA ILE A 3 -2.134 -10.002 2.298 1.00 0.00 C ATOM 39 C ILE A 3 -0.693 -9.534 2.548 1.00 0.00 C ATOM 40 O ILE A 3 -0.314 -9.218 3.682 1.00 0.00 O ATOM 41 CB ILE A 3 -3.024 -8.862 1.732 1.00 0.00 C ATOM 42 CG1 ILE A 3 -3.004 -7.588 2.612 1.00 0.00 C ATOM 43 CG2 ILE A 3 -4.461 -9.350 1.473 1.00 0.00 C ATOM 44 CD1 ILE A 3 -3.744 -6.388 2.010 1.00 0.00 C ATOM 0 H ILE A 3 -2.479 -10.018 4.358 1.00 0.00 H new ATOM 0 HA ILE A 3 -2.119 -10.778 1.533 1.00 0.00 H new ATOM 0 HB ILE A 3 -2.589 -8.576 0.774 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -3.446 -7.823 3.580 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -1.968 -7.305 2.796 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -5.058 -8.529 1.077 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -4.443 -10.167 0.751 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -4.900 -9.701 2.407 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -3.679 -5.541 2.693 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -3.289 -6.121 1.056 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -4.791 -6.648 1.853 1.00 0.00 H new ATOM 56 N PHE A 4 0.102 -9.478 1.478 1.00 0.00 N ATOM 57 CA PHE A 4 1.538 -9.207 1.542 1.00 0.00 C ATOM 58 C PHE A 4 1.967 -7.992 0.716 1.00 0.00 C ATOM 59 O PHE A 4 1.463 -7.798 -0.390 1.00 0.00 O ATOM 60 CB PHE A 4 2.314 -10.460 1.120 1.00 0.00 C ATOM 61 CG PHE A 4 2.063 -11.666 2.002 1.00 0.00 C ATOM 62 CD1 PHE A 4 2.575 -11.712 3.317 1.00 0.00 C ATOM 63 CD2 PHE A 4 1.290 -12.735 1.517 1.00 0.00 C ATOM 64 CE1 PHE A 4 2.316 -12.826 4.133 1.00 0.00 C ATOM 65 CE2 PHE A 4 1.027 -13.845 2.340 1.00 0.00 C ATOM 66 CZ PHE A 4 1.533 -13.890 3.646 1.00 0.00 C ATOM 0 H PHE A 4 -0.240 -9.622 0.528 1.00 0.00 H new ATOM 0 HA PHE A 4 1.773 -8.956 2.576 1.00 0.00 H new ATOM 0 HB2 PHE A 4 2.047 -10.712 0.094 1.00 0.00 H new ATOM 0 HB3 PHE A 4 3.380 -10.234 1.126 1.00 0.00 H new ATOM 0 HD1 PHE A 4 3.166 -10.891 3.696 1.00 0.00 H new ATOM 0 HD2 PHE A 4 0.898 -12.704 0.511 1.00 0.00 H new ATOM 0 HE1 PHE A 4 2.718 -12.866 5.135 1.00 0.00 H new ATOM 0 HE2 PHE A 4 0.433 -14.665 1.964 1.00 0.00 H new ATOM 0 HZ PHE A 4 1.323 -14.740 4.278 1.00 0.00 H new ATOM 76 N VAL A 5 2.934 -7.213 1.217 1.00 0.00 N ATOM 77 CA VAL A 5 3.603 -6.134 0.466 1.00 0.00 C ATOM 78 C VAL A 5 5.066 -6.440 0.162 1.00 0.00 C ATOM 79 O VAL A 5 5.827 -6.790 1.062 1.00 0.00 O ATOM 80 CB VAL A 5 3.434 -4.734 1.092 1.00 0.00 C ATOM 81 CG1 VAL A 5 3.784 -3.641 0.072 1.00 0.00 C ATOM 82 CG2 VAL A 5 2.016 -4.496 1.629 1.00 0.00 C ATOM 0 H VAL A 5 3.282 -7.313 2.171 1.00 0.00 H new ATOM 0 HA VAL A 5 3.075 -6.101 -0.487 1.00 0.00 H new ATOM 0 HB VAL A 5 4.122 -4.687 1.936 1.00 0.00 H new ATOM 0 HG11 VAL A 5 3.659 -2.661 0.532 1.00 0.00 H new ATOM 0 HG12 VAL A 5 4.818 -3.761 -0.250 1.00 0.00 H new ATOM 0 HG13 VAL A 5 3.124 -3.724 -0.791 1.00 0.00 H new ATOM 0 HG21 VAL A 5 1.953 -3.496 2.058 1.00 0.00 H new ATOM 0 HG22 VAL A 5 1.298 -4.587 0.814 1.00 0.00 H new ATOM 0 HG23 VAL A 5 1.789 -5.236 2.397 1.00 0.00 H new ATOM 92 N LYS A 6 5.465 -6.276 -1.102 1.00 0.00 N ATOM 93 CA LYS A 6 6.810 -6.503 -1.644 1.00 0.00 C ATOM 94 C LYS A 6 7.537 -5.160 -1.696 1.00 0.00 C ATOM 95 O LYS A 6 7.261 -4.347 -2.577 1.00 0.00 O ATOM 96 CB LYS A 6 6.622 -7.183 -3.020 1.00 0.00 C ATOM 97 CG LYS A 6 7.763 -7.108 -4.046 1.00 0.00 C ATOM 98 CD LYS A 6 8.915 -8.069 -3.708 1.00 0.00 C ATOM 99 CE LYS A 6 9.778 -8.367 -4.948 1.00 0.00 C ATOM 100 NZ LYS A 6 10.310 -9.755 -4.926 1.00 0.00 N ATOM 0 H LYS A 6 4.815 -5.960 -1.822 1.00 0.00 H new ATOM 0 HA LYS A 6 7.430 -7.158 -1.032 1.00 0.00 H new ATOM 0 HB2 LYS A 6 6.408 -8.237 -2.841 1.00 0.00 H new ATOM 0 HB3 LYS A 6 5.734 -6.752 -3.482 1.00 0.00 H new ATOM 0 HG2 LYS A 6 7.374 -7.344 -5.037 1.00 0.00 H new ATOM 0 HG3 LYS A 6 8.144 -6.088 -4.088 1.00 0.00 H new ATOM 0 HD2 LYS A 6 9.537 -7.634 -2.926 1.00 0.00 H new ATOM 0 HD3 LYS A 6 8.510 -9.000 -3.312 1.00 0.00 H new ATOM 0 HE2 LYS A 6 9.183 -8.219 -5.849 1.00 0.00 H new ATOM 0 HE3 LYS A 6 10.607 -7.660 -4.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 10.886 -9.920 -5.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 10.898 -9.888 -4.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 9.519 -10.430 -4.908 1.00 0.00 H new ATOM 114 N THR A 7 8.428 -4.896 -0.743 1.00 0.00 N ATOM 115 CA THR A 7 9.249 -3.676 -0.740 1.00 0.00 C ATOM 116 C THR A 7 10.450 -3.708 -1.683 1.00 0.00 C ATOM 117 O THR A 7 10.964 -4.773 -2.027 1.00 0.00 O ATOM 118 CB THR A 7 9.626 -3.167 0.667 1.00 0.00 C ATOM 119 OG1 THR A 7 10.849 -3.717 1.105 1.00 0.00 O ATOM 120 CG2 THR A 7 8.585 -3.439 1.750 1.00 0.00 C ATOM 0 H THR A 7 8.605 -5.515 0.048 1.00 0.00 H new ATOM 0 HA THR A 7 8.573 -2.931 -1.159 1.00 0.00 H new ATOM 0 HB THR A 7 9.697 -2.087 0.537 1.00 0.00 H new ATOM 0 HG1 THR A 7 11.061 -3.374 1.998 1.00 0.00 H new ATOM 0 HG21 THR A 7 8.939 -3.045 2.702 1.00 0.00 H new ATOM 0 HG22 THR A 7 7.647 -2.953 1.483 1.00 0.00 H new ATOM 0 HG23 THR A 7 8.425 -4.513 1.839 1.00 0.00 H new ATOM 128 N LEU A 8 10.922 -2.520 -2.075 1.00 0.00 N ATOM 129 CA LEU A 8 12.140 -2.351 -2.877 1.00 0.00 C ATOM 130 C LEU A 8 13.374 -2.935 -2.161 1.00 0.00 C ATOM 131 O LEU A 8 14.175 -3.627 -2.782 1.00 0.00 O ATOM 132 CB LEU A 8 12.322 -0.851 -3.204 1.00 0.00 C ATOM 133 CG LEU A 8 12.726 -0.596 -4.667 1.00 0.00 C ATOM 134 CD1 LEU A 8 11.544 -0.807 -5.620 1.00 0.00 C ATOM 135 CD2 LEU A 8 13.202 0.851 -4.828 1.00 0.00 C ATOM 0 H LEU A 8 10.465 -1.639 -1.842 1.00 0.00 H new ATOM 0 HA LEU A 8 12.037 -2.907 -3.809 1.00 0.00 H new ATOM 0 HB2 LEU A 8 11.391 -0.324 -2.993 1.00 0.00 H new ATOM 0 HB3 LEU A 8 13.082 -0.431 -2.545 1.00 0.00 H new ATOM 0 HG LEU A 8 13.520 -1.301 -4.913 1.00 0.00 H new ATOM 0 HD11 LEU A 8 11.865 -0.619 -6.645 1.00 0.00 H new ATOM 0 HD12 LEU A 8 11.186 -1.833 -5.535 1.00 0.00 H new ATOM 0 HD13 LEU A 8 10.739 -0.120 -5.359 1.00 0.00 H new ATOM 0 HD21 LEU A 8 13.487 1.027 -5.865 1.00 0.00 H new ATOM 0 HD22 LEU A 8 12.397 1.532 -4.552 1.00 0.00 H new ATOM 0 HD23 LEU A 8 14.062 1.025 -4.181 1.00 0.00 H new ATOM 147 N THR A 9 13.453 -2.751 -0.837 1.00 0.00 N ATOM 148 CA THR A 9 14.447 -3.337 0.083 1.00 0.00 C ATOM 149 C THR A 9 14.417 -4.865 0.277 1.00 0.00 C ATOM 150 O THR A 9 15.010 -5.392 1.220 1.00 0.00 O ATOM 151 CB THR A 9 14.517 -2.578 1.432 1.00 0.00 C ATOM 152 OG1 THR A 9 13.931 -1.296 1.358 1.00 0.00 O ATOM 153 CG2 THR A 9 15.948 -2.382 1.930 1.00 0.00 C ATOM 0 H THR A 9 12.787 -2.154 -0.346 1.00 0.00 H new ATOM 0 HA THR A 9 15.382 -3.186 -0.456 1.00 0.00 H new ATOM 0 HB THR A 9 13.964 -3.212 2.125 1.00 0.00 H new ATOM 0 HG1 THR A 9 13.997 -0.855 2.231 1.00 0.00 H new ATOM 0 HG21 THR A 9 15.933 -1.845 2.878 1.00 0.00 H new ATOM 0 HG22 THR A 9 16.420 -3.354 2.071 1.00 0.00 H new ATOM 0 HG23 THR A 9 16.513 -1.807 1.196 1.00 0.00 H new ATOM 161 N GLY A 10 13.683 -5.588 -0.576 1.00 0.00 N ATOM 162 CA GLY A 10 13.606 -7.052 -0.574 1.00 0.00 C ATOM 163 C GLY A 10 12.827 -7.670 0.591 1.00 0.00 C ATOM 164 O GLY A 10 12.975 -8.865 0.836 1.00 0.00 O ATOM 0 H GLY A 10 13.112 -5.160 -1.305 1.00 0.00 H new ATOM 0 HA2 GLY A 10 13.146 -7.375 -1.508 1.00 0.00 H new ATOM 0 HA3 GLY A 10 14.620 -7.452 -0.563 1.00 0.00 H new ATOM 168 N LYS A 11 12.017 -6.890 1.323 1.00 0.00 N ATOM 169 CA LYS A 11 11.258 -7.387 2.485 1.00 0.00 C ATOM 170 C LYS A 11 9.796 -7.672 2.123 1.00 0.00 C ATOM 171 O LYS A 11 9.185 -6.945 1.337 1.00 0.00 O ATOM 172 CB LYS A 11 11.369 -6.424 3.687 1.00 0.00 C ATOM 173 CG LYS A 11 12.816 -5.989 3.991 1.00 0.00 C ATOM 174 CD LYS A 11 13.057 -5.655 5.475 1.00 0.00 C ATOM 175 CE LYS A 11 13.587 -6.866 6.258 1.00 0.00 C ATOM 176 NZ LYS A 11 15.015 -7.133 5.952 1.00 0.00 N ATOM 0 H LYS A 11 11.869 -5.900 1.128 1.00 0.00 H new ATOM 0 HA LYS A 11 11.707 -8.334 2.786 1.00 0.00 H new ATOM 0 HB2 LYS A 11 10.765 -5.538 3.490 1.00 0.00 H new ATOM 0 HB3 LYS A 11 10.949 -6.907 4.570 1.00 0.00 H new ATOM 0 HG2 LYS A 11 13.497 -6.785 3.690 1.00 0.00 H new ATOM 0 HG3 LYS A 11 13.059 -5.116 3.386 1.00 0.00 H new ATOM 0 HD2 LYS A 11 13.770 -4.834 5.551 1.00 0.00 H new ATOM 0 HD3 LYS A 11 12.126 -5.311 5.925 1.00 0.00 H new ATOM 0 HE2 LYS A 11 13.471 -6.688 7.327 1.00 0.00 H new ATOM 0 HE3 LYS A 11 12.992 -7.746 6.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 15.210 -8.148 6.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 15.220 -6.848 4.973 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 15.617 -6.590 6.604 1.00 0.00 H new ATOM 190 N THR A 12 9.241 -8.699 2.762 1.00 0.00 N ATOM 191 CA THR A 12 7.806 -9.017 2.791 1.00 0.00 C ATOM 192 C THR A 12 7.088 -8.461 4.017 1.00 0.00 C ATOM 193 O THR A 12 7.403 -8.865 5.132 1.00 0.00 O ATOM 194 CB THR A 12 7.524 -10.525 2.633 1.00 0.00 C ATOM 195 OG1 THR A 12 8.442 -11.136 1.753 1.00 0.00 O ATOM 196 CG2 THR A 12 6.119 -10.800 2.104 1.00 0.00 C ATOM 0 H THR A 12 9.798 -9.364 3.298 1.00 0.00 H new ATOM 0 HA THR A 12 7.393 -8.509 1.919 1.00 0.00 H new ATOM 0 HB THR A 12 7.624 -10.945 3.634 1.00 0.00 H new ATOM 0 HG1 THR A 12 8.236 -12.091 1.677 1.00 0.00 H new ATOM 0 HG21 THR A 12 5.970 -11.876 2.010 1.00 0.00 H new ATOM 0 HG22 THR A 12 5.383 -10.390 2.796 1.00 0.00 H new ATOM 0 HG23 THR A 12 6.000 -10.331 1.127 1.00 0.00 H new ATOM 204 N ILE A 13 6.141 -7.539 3.839 1.00 0.00 N ATOM 205 CA ILE A 13 5.314 -7.007 4.935 1.00 0.00 C ATOM 206 C ILE A 13 4.006 -7.794 5.024 1.00 0.00 C ATOM 207 O ILE A 13 3.302 -7.923 4.023 1.00 0.00 O ATOM 208 CB ILE A 13 5.010 -5.505 4.754 1.00 0.00 C ATOM 209 CG1 ILE A 13 6.199 -4.677 4.219 1.00 0.00 C ATOM 210 CG2 ILE A 13 4.441 -4.898 6.049 1.00 0.00 C ATOM 211 CD1 ILE A 13 7.452 -4.695 5.110 1.00 0.00 C ATOM 0 H ILE A 13 5.921 -7.135 2.928 1.00 0.00 H new ATOM 0 HA ILE A 13 5.879 -7.119 5.860 1.00 0.00 H new ATOM 0 HB ILE A 13 4.250 -5.450 3.975 1.00 0.00 H new ATOM 0 HG12 ILE A 13 6.468 -5.051 3.231 1.00 0.00 H new ATOM 0 HG13 ILE A 13 5.876 -3.644 4.092 1.00 0.00 H new ATOM 0 HG21 ILE A 13 4.235 -3.839 5.895 1.00 0.00 H new ATOM 0 HG22 ILE A 13 3.518 -5.412 6.317 1.00 0.00 H new ATOM 0 HG23 ILE A 13 5.167 -5.013 6.854 1.00 0.00 H new ATOM 0 HD11 ILE A 13 8.232 -4.087 4.653 1.00 0.00 H new ATOM 0 HD12 ILE A 13 7.206 -4.291 6.092 1.00 0.00 H new ATOM 0 HD13 ILE A 13 7.807 -5.720 5.218 1.00 0.00 H new ATOM 223 N THR A 14 3.663 -8.266 6.220 1.00 0.00 N ATOM 224 CA THR A 14 2.426 -9.017 6.511 1.00 0.00 C ATOM 225 C THR A 14 1.313 -8.184 7.146 1.00 0.00 C ATOM 226 O THR A 14 1.485 -7.673 8.260 1.00 0.00 O ATOM 227 CB THR A 14 2.694 -10.283 7.344 1.00 0.00 C ATOM 228 OG1 THR A 14 3.835 -10.961 6.875 1.00 0.00 O ATOM 229 CG2 THR A 14 1.510 -11.247 7.324 1.00 0.00 C ATOM 0 H THR A 14 4.250 -8.137 7.044 1.00 0.00 H new ATOM 0 HA THR A 14 2.059 -9.316 5.529 1.00 0.00 H new ATOM 0 HB THR A 14 2.854 -9.948 8.369 1.00 0.00 H new ATOM 0 HG1 THR A 14 3.987 -11.761 7.420 1.00 0.00 H new ATOM 0 HG21 THR A 14 1.746 -12.125 7.925 1.00 0.00 H new ATOM 0 HG22 THR A 14 0.630 -10.751 7.735 1.00 0.00 H new ATOM 0 HG23 THR A 14 1.308 -11.554 6.298 1.00 0.00 H new ATOM 237 N LEU A 15 0.158 -8.101 6.478 1.00 0.00 N ATOM 238 CA LEU A 15 -1.067 -7.445 6.956 1.00 0.00 C ATOM 239 C LEU A 15 -2.225 -8.453 7.078 1.00 0.00 C ATOM 240 O LEU A 15 -2.281 -9.444 6.352 1.00 0.00 O ATOM 241 CB LEU A 15 -1.444 -6.293 6.002 1.00 0.00 C ATOM 242 CG LEU A 15 -0.483 -5.090 6.030 1.00 0.00 C ATOM 243 CD1 LEU A 15 -0.703 -4.205 4.801 1.00 0.00 C ATOM 244 CD2 LEU A 15 -0.686 -4.221 7.275 1.00 0.00 C ATOM 0 H LEU A 15 0.045 -8.506 5.549 1.00 0.00 H new ATOM 0 HA LEU A 15 -0.880 -7.038 7.950 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -1.487 -6.682 4.985 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -2.446 -5.945 6.253 1.00 0.00 H new ATOM 0 HG LEU A 15 0.527 -5.499 6.040 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -0.017 -3.359 4.834 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -0.519 -4.786 3.897 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -1.730 -3.839 4.795 1.00 0.00 H new ATOM 0 HD21 LEU A 15 0.013 -3.385 7.253 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -1.707 -3.840 7.290 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -0.508 -4.819 8.169 1.00 0.00 H new ATOM 256 N GLU A 16 -3.164 -8.166 7.981 1.00 0.00 N ATOM 257 CA GLU A 16 -4.447 -8.865 8.141 1.00 0.00 C ATOM 258 C GLU A 16 -5.589 -7.841 8.052 1.00 0.00 C ATOM 259 O GLU A 16 -5.519 -6.765 8.651 1.00 0.00 O ATOM 260 CB GLU A 16 -4.453 -9.674 9.457 1.00 0.00 C ATOM 261 CG GLU A 16 -5.803 -10.250 9.942 1.00 0.00 C ATOM 262 CD GLU A 16 -6.433 -11.344 9.058 1.00 0.00 C ATOM 263 OE1 GLU A 16 -6.029 -11.497 7.886 1.00 0.00 O ATOM 264 OE2 GLU A 16 -7.381 -12.033 9.510 1.00 0.00 O ATOM 0 H GLU A 16 -3.049 -7.407 8.652 1.00 0.00 H new ATOM 0 HA GLU A 16 -4.594 -9.589 7.339 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -3.756 -10.504 9.343 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -4.059 -9.033 10.246 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -5.662 -10.658 10.943 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -6.514 -9.429 10.030 1.00 0.00 H new ATOM 271 N VAL A 17 -6.613 -8.160 7.264 1.00 0.00 N ATOM 272 CA VAL A 17 -7.717 -7.257 6.883 1.00 0.00 C ATOM 273 C VAL A 17 -8.985 -8.099 6.705 1.00 0.00 C ATOM 274 O VAL A 17 -8.908 -9.295 6.412 1.00 0.00 O ATOM 275 CB VAL A 17 -7.389 -6.510 5.565 1.00 0.00 C ATOM 276 CG1 VAL A 17 -6.378 -5.378 5.797 1.00 0.00 C ATOM 277 CG2 VAL A 17 -6.820 -7.404 4.454 1.00 0.00 C ATOM 0 H VAL A 17 -6.708 -9.089 6.853 1.00 0.00 H new ATOM 0 HA VAL A 17 -7.862 -6.509 7.663 1.00 0.00 H new ATOM 0 HB VAL A 17 -8.354 -6.124 5.237 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -6.171 -4.876 4.852 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -6.791 -4.661 6.506 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -5.453 -5.793 6.198 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -6.619 -6.801 3.569 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -5.894 -7.865 4.797 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -7.543 -8.182 4.207 1.00 0.00 H new ATOM 287 N GLU A 18 -10.165 -7.504 6.875 1.00 0.00 N ATOM 288 CA GLU A 18 -11.419 -8.157 6.464 1.00 0.00 C ATOM 289 C GLU A 18 -11.622 -8.009 4.939 1.00 0.00 C ATOM 290 O GLU A 18 -11.186 -7.011 4.364 1.00 0.00 O ATOM 291 CB GLU A 18 -12.623 -7.636 7.274 1.00 0.00 C ATOM 292 CG GLU A 18 -12.559 -8.050 8.761 1.00 0.00 C ATOM 293 CD GLU A 18 -13.922 -8.139 9.481 1.00 0.00 C ATOM 294 OE1 GLU A 18 -14.983 -7.860 8.882 1.00 0.00 O ATOM 295 OE2 GLU A 18 -13.927 -8.519 10.683 1.00 0.00 O ATOM 0 H GLU A 18 -10.285 -6.580 7.290 1.00 0.00 H new ATOM 0 HA GLU A 18 -11.345 -9.222 6.685 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -12.661 -6.549 7.204 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -13.545 -8.016 6.834 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -12.066 -9.020 8.830 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -11.932 -7.335 9.293 1.00 0.00 H new ATOM 302 N PRO A 19 -12.298 -8.940 4.234 1.00 0.00 N ATOM 303 CA PRO A 19 -12.551 -8.806 2.786 1.00 0.00 C ATOM 304 C PRO A 19 -13.448 -7.605 2.428 1.00 0.00 C ATOM 305 O PRO A 19 -13.518 -7.206 1.264 1.00 0.00 O ATOM 306 CB PRO A 19 -13.190 -10.138 2.375 1.00 0.00 C ATOM 307 CG PRO A 19 -13.872 -10.628 3.654 1.00 0.00 C ATOM 308 CD PRO A 19 -12.937 -10.140 4.760 1.00 0.00 C ATOM 0 HA PRO A 19 -11.625 -8.604 2.248 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -13.908 -10.004 1.566 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -12.442 -10.849 2.024 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -14.873 -10.211 3.761 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -13.976 -11.713 3.664 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -13.491 -9.921 5.673 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -12.197 -10.900 5.011 1.00 0.00 H new ATOM 316 N SER A 20 -14.112 -7.027 3.431 1.00 0.00 N ATOM 317 CA SER A 20 -14.878 -5.783 3.400 1.00 0.00 C ATOM 318 C SER A 20 -14.037 -4.508 3.561 1.00 0.00 C ATOM 319 O SER A 20 -14.556 -3.419 3.315 1.00 0.00 O ATOM 320 CB SER A 20 -15.948 -5.860 4.496 1.00 0.00 C ATOM 321 OG SER A 20 -15.360 -6.273 5.715 1.00 0.00 O ATOM 0 H SER A 20 -14.128 -7.452 4.358 1.00 0.00 H new ATOM 0 HA SER A 20 -15.320 -5.699 2.407 1.00 0.00 H new ATOM 0 HB2 SER A 20 -16.422 -4.887 4.622 1.00 0.00 H new ATOM 0 HB3 SER A 20 -16.730 -6.560 4.204 1.00 0.00 H new ATOM 0 HG SER A 20 -16.048 -6.319 6.411 1.00 0.00 H new ATOM 327 N ASP A 21 -12.753 -4.587 3.944 1.00 0.00 N ATOM 328 CA ASP A 21 -11.892 -3.413 4.132 1.00 0.00 C ATOM 329 C ASP A 21 -11.726 -2.489 2.912 1.00 0.00 C ATOM 330 O ASP A 21 -11.505 -2.902 1.764 1.00 0.00 O ATOM 331 CB ASP A 21 -10.537 -3.736 4.806 1.00 0.00 C ATOM 332 CG ASP A 21 -10.556 -3.845 6.340 1.00 0.00 C ATOM 333 OD1 ASP A 21 -11.357 -3.137 6.987 1.00 0.00 O ATOM 334 OD2 ASP A 21 -9.687 -4.548 6.911 1.00 0.00 O ATOM 0 H ASP A 21 -12.282 -5.472 4.132 1.00 0.00 H new ATOM 0 HA ASP A 21 -12.470 -2.818 4.839 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -10.167 -4.677 4.399 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -9.821 -2.964 4.525 1.00 0.00 H new ATOM 339 N THR A 22 -11.867 -1.183 3.158 1.00 0.00 N ATOM 340 CA THR A 22 -11.703 -0.119 2.151 1.00 0.00 C ATOM 341 C THR A 22 -10.265 0.242 1.779 1.00 0.00 C ATOM 342 O THR A 22 -9.341 0.106 2.585 1.00 0.00 O ATOM 343 CB THR A 22 -12.554 1.138 2.435 1.00 0.00 C ATOM 344 OG1 THR A 22 -11.801 2.102 3.140 1.00 0.00 O ATOM 345 CG2 THR A 22 -13.833 0.895 3.242 1.00 0.00 C ATOM 0 H THR A 22 -12.104 -0.823 4.083 1.00 0.00 H new ATOM 0 HA THR A 22 -12.103 -0.591 1.254 1.00 0.00 H new ATOM 0 HB THR A 22 -12.848 1.479 1.442 1.00 0.00 H new ATOM 0 HG1 THR A 22 -12.357 2.891 3.309 1.00 0.00 H new ATOM 0 HG21 THR A 22 -14.357 1.840 3.386 1.00 0.00 H new ATOM 0 HG22 THR A 22 -14.478 0.201 2.702 1.00 0.00 H new ATOM 0 HG23 THR A 22 -13.576 0.471 4.213 1.00 0.00 H new ATOM 353 N ILE A 23 -10.068 0.754 0.560 1.00 0.00 N ATOM 354 CA ILE A 23 -8.775 1.281 0.104 1.00 0.00 C ATOM 355 C ILE A 23 -8.426 2.622 0.782 1.00 0.00 C ATOM 356 O ILE A 23 -7.350 3.155 0.541 1.00 0.00 O ATOM 357 CB ILE A 23 -8.733 1.270 -1.450 1.00 0.00 C ATOM 358 CG1 ILE A 23 -9.100 -0.113 -2.053 1.00 0.00 C ATOM 359 CG2 ILE A 23 -7.364 1.671 -2.024 1.00 0.00 C ATOM 360 CD1 ILE A 23 -8.257 -1.317 -1.597 1.00 0.00 C ATOM 0 H ILE A 23 -10.804 0.815 -0.143 1.00 0.00 H new ATOM 0 HA ILE A 23 -7.963 0.629 0.427 1.00 0.00 H new ATOM 0 HB ILE A 23 -9.480 2.012 -1.733 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -10.144 -0.320 -1.816 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -9.028 -0.040 -3.138 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -7.404 1.643 -3.113 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -7.113 2.680 -1.696 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -6.603 0.975 -1.670 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -8.615 -2.220 -2.091 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -7.212 -1.150 -1.860 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -8.345 -1.435 -0.517 1.00 0.00 H new ATOM 372 N GLU A 24 -9.252 3.148 1.694 1.00 0.00 N ATOM 373 CA GLU A 24 -8.782 4.103 2.720 1.00 0.00 C ATOM 374 C GLU A 24 -8.236 3.327 3.905 1.00 0.00 C ATOM 375 O GLU A 24 -7.105 3.544 4.327 1.00 0.00 O ATOM 376 CB GLU A 24 -9.901 5.075 3.149 1.00 0.00 C ATOM 377 CG GLU A 24 -9.357 6.231 3.986 1.00 0.00 C ATOM 378 CD GLU A 24 -10.460 7.073 4.670 1.00 0.00 C ATOM 379 OE1 GLU A 24 -11.632 6.672 4.733 1.00 0.00 O ATOM 380 OE2 GLU A 24 -10.121 8.145 5.199 1.00 0.00 O ATOM 0 H GLU A 24 -10.248 2.933 1.747 1.00 0.00 H new ATOM 0 HA GLU A 24 -7.987 4.716 2.296 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -10.399 5.470 2.263 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -10.653 4.533 3.722 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -8.689 5.833 4.750 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -8.759 6.881 3.347 1.00 0.00 H new ATOM 387 N ASN A 25 -9.033 2.414 4.471 1.00 0.00 N ATOM 388 CA ASN A 25 -8.759 1.686 5.720 1.00 0.00 C ATOM 389 C ASN A 25 -7.417 0.945 5.731 1.00 0.00 C ATOM 390 O ASN A 25 -6.559 1.165 6.588 1.00 0.00 O ATOM 391 CB ASN A 25 -9.935 0.706 5.958 1.00 0.00 C ATOM 392 CG ASN A 25 -9.877 0.032 7.307 1.00 0.00 C ATOM 393 OD1 ASN A 25 -9.008 -0.763 7.590 1.00 0.00 O ATOM 394 ND2 ASN A 25 -10.805 0.325 8.185 1.00 0.00 N ATOM 0 H ASN A 25 -9.926 2.149 4.055 1.00 0.00 H new ATOM 0 HA ASN A 25 -8.677 2.414 6.527 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -10.876 1.248 5.869 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -9.930 -0.055 5.177 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -10.795 -0.116 9.105 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -11.538 0.994 7.949 1.00 0.00 H new ATOM 401 N VAL A 26 -7.149 0.138 4.700 1.00 0.00 N ATOM 402 CA VAL A 26 -5.857 -0.572 4.548 1.00 0.00 C ATOM 403 C VAL A 26 -4.668 0.377 4.395 1.00 0.00 C ATOM 404 O VAL A 26 -3.603 0.164 4.980 1.00 0.00 O ATOM 405 CB VAL A 26 -5.895 -1.566 3.366 1.00 0.00 C ATOM 406 CG1 VAL A 26 -4.651 -2.470 3.337 1.00 0.00 C ATOM 407 CG2 VAL A 26 -7.131 -2.473 3.413 1.00 0.00 C ATOM 0 H VAL A 26 -7.811 -0.047 3.947 1.00 0.00 H new ATOM 0 HA VAL A 26 -5.713 -1.127 5.475 1.00 0.00 H new ATOM 0 HB VAL A 26 -5.927 -0.948 2.469 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -4.718 -3.154 2.491 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -3.757 -1.855 3.237 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -4.596 -3.043 4.263 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -7.115 -3.155 2.563 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -7.125 -3.048 4.339 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -8.033 -1.862 3.371 1.00 0.00 H new ATOM 417 N LYS A 27 -4.880 1.498 3.693 1.00 0.00 N ATOM 418 CA LYS A 27 -3.909 2.595 3.523 1.00 0.00 C ATOM 419 C LYS A 27 -3.687 3.428 4.783 1.00 0.00 C ATOM 420 O LYS A 27 -2.705 4.156 4.814 1.00 0.00 O ATOM 421 CB LYS A 27 -4.309 3.475 2.319 1.00 0.00 C ATOM 422 CG LYS A 27 -3.524 3.077 1.058 1.00 0.00 C ATOM 423 CD LYS A 27 -4.139 3.485 -0.292 1.00 0.00 C ATOM 424 CE LYS A 27 -4.460 4.972 -0.517 1.00 0.00 C ATOM 425 NZ LYS A 27 -5.677 5.430 0.195 1.00 0.00 N ATOM 0 H LYS A 27 -5.761 1.675 3.210 1.00 0.00 H new ATOM 0 HA LYS A 27 -2.944 2.130 3.322 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -5.378 3.376 2.132 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -4.121 4.523 2.552 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -2.528 3.514 1.125 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -3.398 1.994 1.062 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -3.456 3.167 -1.080 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -5.062 2.920 -0.423 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -3.611 5.572 -0.191 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -4.585 5.151 -1.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -6.115 6.212 -0.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -6.352 4.643 0.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -5.419 5.757 1.148 1.00 0.00 H new ATOM 439 N ALA A 28 -4.529 3.295 5.809 1.00 0.00 N ATOM 440 CA ALA A 28 -4.282 3.811 7.163 1.00 0.00 C ATOM 441 C ALA A 28 -3.547 2.777 8.043 1.00 0.00 C ATOM 442 O ALA A 28 -2.468 3.061 8.570 1.00 0.00 O ATOM 443 CB ALA A 28 -5.618 4.251 7.783 1.00 0.00 C ATOM 0 H ALA A 28 -5.424 2.814 5.723 1.00 0.00 H new ATOM 0 HA ALA A 28 -3.621 4.676 7.102 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -5.444 4.635 8.788 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -6.065 5.032 7.168 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -6.294 3.398 7.833 1.00 0.00 H new ATOM 449 N LYS A 29 -4.062 1.537 8.125 1.00 0.00 N ATOM 450 CA LYS A 29 -3.460 0.422 8.896 1.00 0.00 C ATOM 451 C LYS A 29 -1.963 0.235 8.616 1.00 0.00 C ATOM 452 O LYS A 29 -1.197 -0.022 9.539 1.00 0.00 O ATOM 453 CB LYS A 29 -4.218 -0.895 8.597 1.00 0.00 C ATOM 454 CG LYS A 29 -5.616 -1.009 9.239 1.00 0.00 C ATOM 455 CD LYS A 29 -6.353 -2.285 8.781 1.00 0.00 C ATOM 456 CE LYS A 29 -7.626 -2.500 9.611 1.00 0.00 C ATOM 457 NZ LYS A 29 -8.419 -3.675 9.169 1.00 0.00 N ATOM 0 H LYS A 29 -4.925 1.272 7.650 1.00 0.00 H new ATOM 0 HA LYS A 29 -3.555 0.682 9.950 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -4.322 -0.998 7.517 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -3.609 -1.732 8.940 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -5.518 -1.015 10.325 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -6.209 -0.133 8.977 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -6.610 -2.204 7.725 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -5.695 -3.148 8.883 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -7.352 -2.627 10.658 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -8.247 -1.606 9.550 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -9.282 -3.748 9.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -8.679 -3.562 8.168 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -7.852 -4.539 9.284 1.00 0.00 H new ATOM 471 N ILE A 30 -1.526 0.406 7.367 1.00 0.00 N ATOM 472 CA ILE A 30 -0.124 0.213 6.959 1.00 0.00 C ATOM 473 C ILE A 30 0.873 1.193 7.617 1.00 0.00 C ATOM 474 O ILE A 30 2.057 0.857 7.727 1.00 0.00 O ATOM 475 CB ILE A 30 -0.046 0.266 5.419 1.00 0.00 C ATOM 476 CG1 ILE A 30 1.270 -0.378 4.946 1.00 0.00 C ATOM 477 CG2 ILE A 30 -0.196 1.694 4.875 1.00 0.00 C ATOM 478 CD1 ILE A 30 1.316 -0.586 3.430 1.00 0.00 C ATOM 0 H ILE A 30 -2.137 0.685 6.600 1.00 0.00 H new ATOM 0 HA ILE A 30 0.190 -0.766 7.321 1.00 0.00 H new ATOM 0 HB ILE A 30 -0.886 -0.302 5.019 1.00 0.00 H new ATOM 0 HG12 ILE A 30 2.107 0.252 5.247 1.00 0.00 H new ATOM 0 HG13 ILE A 30 1.399 -1.339 5.444 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -0.134 1.677 3.787 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -1.162 2.099 5.177 1.00 0.00 H new ATOM 0 HG23 ILE A 30 0.601 2.321 5.274 1.00 0.00 H new ATOM 0 HD11 ILE A 30 2.266 -1.043 3.154 1.00 0.00 H new ATOM 0 HD12 ILE A 30 0.498 -1.239 3.127 1.00 0.00 H new ATOM 0 HD13 ILE A 30 1.217 0.376 2.928 1.00 0.00 H new ATOM 490 N GLN A 31 0.447 2.388 8.053 1.00 0.00 N ATOM 491 CA GLN A 31 1.352 3.311 8.750 1.00 0.00 C ATOM 492 C GLN A 31 1.575 2.895 10.205 1.00 0.00 C ATOM 493 O GLN A 31 2.689 2.990 10.704 1.00 0.00 O ATOM 494 CB GLN A 31 0.849 4.763 8.681 1.00 0.00 C ATOM 495 CG GLN A 31 1.131 5.434 7.325 1.00 0.00 C ATOM 496 CD GLN A 31 -0.094 5.514 6.424 1.00 0.00 C ATOM 497 OE1 GLN A 31 -1.102 6.108 6.762 1.00 0.00 O ATOM 498 NE2 GLN A 31 -0.050 4.952 5.237 1.00 0.00 N ATOM 0 H GLN A 31 -0.506 2.734 7.937 1.00 0.00 H new ATOM 0 HA GLN A 31 2.309 3.259 8.232 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -0.224 4.779 8.872 1.00 0.00 H new ATOM 0 HB3 GLN A 31 1.322 5.344 9.473 1.00 0.00 H new ATOM 0 HG2 GLN A 31 1.512 6.440 7.498 1.00 0.00 H new ATOM 0 HG3 GLN A 31 1.916 4.880 6.810 1.00 0.00 H new ATOM 0 HE21 GLN A 31 0.788 4.451 4.941 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -0.854 5.017 4.612 1.00 0.00 H new ATOM 507 N ASP A 32 0.536 2.389 10.864 1.00 0.00 N ATOM 508 CA ASP A 32 0.616 1.902 12.241 1.00 0.00 C ATOM 509 C ASP A 32 1.185 0.481 12.421 1.00 0.00 C ATOM 510 O ASP A 32 1.909 0.231 13.388 1.00 0.00 O ATOM 511 CB ASP A 32 -0.741 2.149 12.932 1.00 0.00 C ATOM 512 CG ASP A 32 -0.774 3.417 13.809 1.00 0.00 C ATOM 513 OD1 ASP A 32 0.296 3.923 14.225 1.00 0.00 O ATOM 514 OD2 ASP A 32 -1.882 3.906 14.127 1.00 0.00 O ATOM 0 H ASP A 32 -0.394 2.304 10.455 1.00 0.00 H new ATOM 0 HA ASP A 32 1.383 2.484 12.752 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -1.517 2.226 12.170 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -0.985 1.285 13.550 1.00 0.00 H new ATOM 519 N LYS A 33 0.924 -0.436 11.477 1.00 0.00 N ATOM 520 CA LYS A 33 1.422 -1.828 11.524 1.00 0.00 C ATOM 521 C LYS A 33 2.919 -1.936 11.214 1.00 0.00 C ATOM 522 O LYS A 33 3.583 -2.802 11.775 1.00 0.00 O ATOM 523 CB LYS A 33 0.579 -2.698 10.569 1.00 0.00 C ATOM 524 CG LYS A 33 0.282 -4.117 11.090 1.00 0.00 C ATOM 525 CD LYS A 33 1.414 -5.137 10.910 1.00 0.00 C ATOM 526 CE LYS A 33 0.915 -6.515 11.357 1.00 0.00 C ATOM 527 NZ LYS A 33 1.921 -7.569 11.091 1.00 0.00 N ATOM 0 H LYS A 33 0.358 -0.236 10.652 1.00 0.00 H new ATOM 0 HA LYS A 33 1.310 -2.195 12.544 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -0.366 -2.191 10.375 1.00 0.00 H new ATOM 0 HB3 LYS A 33 1.100 -2.777 9.615 1.00 0.00 H new ATOM 0 HG2 LYS A 33 0.040 -4.052 12.151 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -0.606 -4.493 10.583 1.00 0.00 H new ATOM 0 HD2 LYS A 33 1.729 -5.170 9.867 1.00 0.00 H new ATOM 0 HD3 LYS A 33 2.284 -4.842 11.497 1.00 0.00 H new ATOM 0 HE2 LYS A 33 0.684 -6.492 12.422 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -0.011 -6.755 10.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 1.673 -8.428 11.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 1.938 -7.784 10.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 2.860 -7.236 11.390 1.00 0.00 H new ATOM 541 N GLU A 34 3.440 -1.081 10.330 1.00 0.00 N ATOM 542 CA GLU A 34 4.863 -1.048 9.956 1.00 0.00 C ATOM 543 C GLU A 34 5.424 0.384 9.840 1.00 0.00 C ATOM 544 O GLU A 34 6.402 0.707 10.518 1.00 0.00 O ATOM 545 CB GLU A 34 5.047 -1.839 8.650 1.00 0.00 C ATOM 546 CG GLU A 34 6.503 -1.921 8.162 1.00 0.00 C ATOM 547 CD GLU A 34 7.425 -2.773 9.057 1.00 0.00 C ATOM 548 OE1 GLU A 34 6.925 -3.624 9.824 1.00 0.00 O ATOM 549 OE2 GLU A 34 8.667 -2.598 8.999 1.00 0.00 O ATOM 0 H GLU A 34 2.880 -0.380 9.845 1.00 0.00 H new ATOM 0 HA GLU A 34 5.439 -1.515 10.755 1.00 0.00 H new ATOM 0 HB2 GLU A 34 4.667 -2.850 8.794 1.00 0.00 H new ATOM 0 HB3 GLU A 34 4.440 -1.378 7.871 1.00 0.00 H new ATOM 0 HG2 GLU A 34 6.513 -2.334 7.153 1.00 0.00 H new ATOM 0 HG3 GLU A 34 6.910 -0.912 8.098 1.00 0.00 H new ATOM 556 N GLY A 35 4.808 1.234 9.000 1.00 0.00 N ATOM 557 CA GLY A 35 5.268 2.613 8.764 1.00 0.00 C ATOM 558 C GLY A 35 5.497 3.004 7.300 1.00 0.00 C ATOM 559 O GLY A 35 6.520 3.611 7.001 1.00 0.00 O ATOM 0 H GLY A 35 3.976 0.984 8.465 1.00 0.00 H new ATOM 0 HA2 GLY A 35 4.535 3.297 9.192 1.00 0.00 H new ATOM 0 HA3 GLY A 35 6.200 2.762 9.309 1.00 0.00 H new ATOM 563 N ILE A 36 4.579 2.683 6.372 1.00 0.00 N ATOM 564 CA ILE A 36 4.677 3.123 4.957 1.00 0.00 C ATOM 565 C ILE A 36 3.685 4.274 4.670 1.00 0.00 C ATOM 566 O ILE A 36 2.516 3.998 4.387 1.00 0.00 O ATOM 567 CB ILE A 36 4.522 1.932 3.974 1.00 0.00 C ATOM 568 CG1 ILE A 36 5.558 0.821 4.284 1.00 0.00 C ATOM 569 CG2 ILE A 36 4.683 2.412 2.515 1.00 0.00 C ATOM 570 CD1 ILE A 36 5.472 -0.427 3.393 1.00 0.00 C ATOM 0 H ILE A 36 3.754 2.117 6.572 1.00 0.00 H new ATOM 0 HA ILE A 36 5.679 3.519 4.791 1.00 0.00 H new ATOM 0 HB ILE A 36 3.522 1.517 4.102 1.00 0.00 H new ATOM 0 HG12 ILE A 36 6.558 1.244 4.192 1.00 0.00 H new ATOM 0 HG13 ILE A 36 5.437 0.514 5.323 1.00 0.00 H new ATOM 0 HG21 ILE A 36 4.571 1.564 1.839 1.00 0.00 H new ATOM 0 HG22 ILE A 36 3.920 3.158 2.291 1.00 0.00 H new ATOM 0 HG23 ILE A 36 5.671 2.853 2.384 1.00 0.00 H new ATOM 0 HD11 ILE A 36 6.239 -1.141 3.692 1.00 0.00 H new ATOM 0 HD12 ILE A 36 4.488 -0.884 3.501 1.00 0.00 H new ATOM 0 HD13 ILE A 36 5.628 -0.143 2.352 1.00 0.00 H new ATOM 582 N PRO A 37 4.095 5.558 4.755 1.00 0.00 N ATOM 583 CA PRO A 37 3.238 6.714 4.459 1.00 0.00 C ATOM 584 C PRO A 37 3.107 7.017 2.949 1.00 0.00 C ATOM 585 O PRO A 37 4.017 6.703 2.171 1.00 0.00 O ATOM 586 CB PRO A 37 3.883 7.887 5.206 1.00 0.00 C ATOM 587 CG PRO A 37 5.370 7.549 5.145 1.00 0.00 C ATOM 588 CD PRO A 37 5.375 6.027 5.277 1.00 0.00 C ATOM 0 HA PRO A 37 2.215 6.520 4.780 1.00 0.00 H new ATOM 0 HB2 PRO A 37 3.665 8.841 4.726 1.00 0.00 H new ATOM 0 HB3 PRO A 37 3.526 7.958 6.233 1.00 0.00 H new ATOM 0 HG2 PRO A 37 5.821 7.876 4.208 1.00 0.00 H new ATOM 0 HG3 PRO A 37 5.927 8.027 5.951 1.00 0.00 H new ATOM 0 HD2 PRO A 37 6.204 5.593 4.718 1.00 0.00 H new ATOM 0 HD3 PRO A 37 5.501 5.729 6.318 1.00 0.00 H new ATOM 596 N PRO A 38 2.016 7.693 2.520 1.00 0.00 N ATOM 597 CA PRO A 38 1.798 8.076 1.120 1.00 0.00 C ATOM 598 C PRO A 38 2.802 9.128 0.614 1.00 0.00 C ATOM 599 O PRO A 38 3.168 9.120 -0.560 1.00 0.00 O ATOM 600 CB PRO A 38 0.368 8.625 1.070 1.00 0.00 C ATOM 601 CG PRO A 38 0.140 9.163 2.483 1.00 0.00 C ATOM 602 CD PRO A 38 0.907 8.162 3.346 1.00 0.00 C ATOM 0 HA PRO A 38 1.944 7.216 0.467 1.00 0.00 H new ATOM 0 HB2 PRO A 38 0.266 9.410 0.321 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -0.352 7.847 0.816 1.00 0.00 H new ATOM 0 HG2 PRO A 38 0.524 10.176 2.598 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -0.919 9.193 2.740 1.00 0.00 H new ATOM 0 HD2 PRO A 38 1.271 8.632 4.260 1.00 0.00 H new ATOM 0 HD3 PRO A 38 0.266 7.333 3.647 1.00 0.00 H new ATOM 610 N ASP A 39 3.305 10.000 1.490 1.00 0.00 N ATOM 611 CA ASP A 39 4.371 10.965 1.193 1.00 0.00 C ATOM 612 C ASP A 39 5.799 10.379 1.211 1.00 0.00 C ATOM 613 O ASP A 39 6.755 11.013 1.655 1.00 0.00 O ATOM 614 CB ASP A 39 4.142 12.327 1.882 1.00 0.00 C ATOM 615 CG ASP A 39 3.018 13.177 1.252 1.00 0.00 C ATOM 616 OD1 ASP A 39 2.229 12.662 0.432 1.00 0.00 O ATOM 617 OD2 ASP A 39 2.923 14.385 1.544 1.00 0.00 O ATOM 0 H ASP A 39 2.974 10.058 2.453 1.00 0.00 H new ATOM 0 HA ASP A 39 4.290 11.212 0.135 1.00 0.00 H new ATOM 0 HB2 ASP A 39 3.906 12.155 2.932 1.00 0.00 H new ATOM 0 HB3 ASP A 39 5.071 12.896 1.854 1.00 0.00 H new ATOM 622 N GLN A 40 5.937 9.123 0.756 1.00 0.00 N ATOM 623 CA GLN A 40 7.225 8.476 0.447 1.00 0.00 C ATOM 624 C GLN A 40 7.122 7.303 -0.559 1.00 0.00 C ATOM 625 O GLN A 40 7.962 7.192 -1.450 1.00 0.00 O ATOM 626 CB GLN A 40 7.913 8.016 1.751 1.00 0.00 C ATOM 627 CG GLN A 40 9.362 7.512 1.593 1.00 0.00 C ATOM 628 CD GLN A 40 10.305 8.529 0.955 1.00 0.00 C ATOM 629 OE1 GLN A 40 10.893 9.373 1.605 1.00 0.00 O ATOM 630 NE2 GLN A 40 10.362 8.593 -0.358 1.00 0.00 N ATOM 0 H GLN A 40 5.137 8.513 0.588 1.00 0.00 H new ATOM 0 HA GLN A 40 7.832 9.233 -0.049 1.00 0.00 H new ATOM 0 HB2 GLN A 40 7.910 8.847 2.456 1.00 0.00 H new ATOM 0 HB3 GLN A 40 7.316 7.220 2.195 1.00 0.00 H new ATOM 0 HG2 GLN A 40 9.750 7.237 2.574 1.00 0.00 H new ATOM 0 HG3 GLN A 40 9.357 6.606 0.987 1.00 0.00 H new ATOM 0 HE21 GLN A 40 9.877 7.897 -0.924 1.00 0.00 H new ATOM 0 HE22 GLN A 40 10.891 9.339 -0.810 1.00 0.00 H new ATOM 639 N ASN A 41 6.100 6.441 -0.478 1.00 0.00 N ATOM 640 CA ASN A 41 5.874 5.295 -1.387 1.00 0.00 C ATOM 641 C ASN A 41 4.343 5.106 -1.645 1.00 0.00 C ATOM 642 O ASN A 41 3.536 5.888 -1.148 1.00 0.00 O ATOM 643 CB ASN A 41 6.486 4.016 -0.757 1.00 0.00 C ATOM 644 CG ASN A 41 7.987 3.872 -0.559 1.00 0.00 C ATOM 645 OD1 ASN A 41 8.668 3.222 -1.331 1.00 0.00 O ATOM 646 ND2 ASN A 41 8.509 4.288 0.571 1.00 0.00 N ATOM 0 H ASN A 41 5.382 6.519 0.242 1.00 0.00 H new ATOM 0 HA ASN A 41 6.358 5.486 -2.345 1.00 0.00 H new ATOM 0 HB2 ASN A 41 6.023 3.892 0.222 1.00 0.00 H new ATOM 0 HB3 ASN A 41 6.165 3.175 -1.371 1.00 0.00 H new ATOM 0 HD21 ASN A 41 9.479 4.066 0.797 1.00 0.00 H new ATOM 0 HD22 ASN A 41 7.945 4.833 1.223 1.00 0.00 H new ATOM 653 N ARG A 42 3.916 4.091 -2.419 1.00 0.00 N ATOM 654 CA ARG A 42 2.530 3.834 -2.871 1.00 0.00 C ATOM 655 C ARG A 42 2.365 2.373 -3.316 1.00 0.00 C ATOM 656 O ARG A 42 3.283 1.778 -3.882 1.00 0.00 O ATOM 657 CB ARG A 42 2.178 4.801 -4.022 1.00 0.00 C ATOM 658 CG ARG A 42 3.071 4.593 -5.257 1.00 0.00 C ATOM 659 CD ARG A 42 3.045 5.760 -6.243 1.00 0.00 C ATOM 660 NE ARG A 42 4.212 5.636 -7.128 1.00 0.00 N ATOM 661 CZ ARG A 42 4.266 5.536 -8.440 1.00 0.00 C ATOM 662 NH1 ARG A 42 3.225 5.617 -9.217 1.00 0.00 N ATOM 663 NH2 ARG A 42 5.433 5.331 -8.974 1.00 0.00 N ATOM 0 H ARG A 42 4.565 3.385 -2.768 1.00 0.00 H new ATOM 0 HA ARG A 42 1.846 4.006 -2.040 1.00 0.00 H new ATOM 0 HB2 ARG A 42 1.134 4.661 -4.304 1.00 0.00 H new ATOM 0 HB3 ARG A 42 2.279 5.829 -3.673 1.00 0.00 H new ATOM 0 HG2 ARG A 42 4.097 4.431 -4.928 1.00 0.00 H new ATOM 0 HG3 ARG A 42 2.755 3.687 -5.773 1.00 0.00 H new ATOM 0 HD2 ARG A 42 2.123 5.747 -6.825 1.00 0.00 H new ATOM 0 HD3 ARG A 42 3.071 6.710 -5.709 1.00 0.00 H new ATOM 0 HE ARG A 42 5.116 5.626 -6.655 1.00 0.00 H new ATOM 0 HH11 ARG A 42 2.299 5.766 -8.816 1.00 0.00 H new ATOM 0 HH12 ARG A 42 3.335 5.531 -10.227 1.00 0.00 H new ATOM 0 HH21 ARG A 42 6.259 5.254 -8.381 1.00 0.00 H new ATOM 0 HH22 ARG A 42 5.523 5.247 -9.987 1.00 0.00 H new ATOM 677 N LEU A 43 1.197 1.782 -3.067 1.00 0.00 N ATOM 678 CA LEU A 43 0.927 0.360 -3.320 1.00 0.00 C ATOM 679 C LEU A 43 0.575 0.082 -4.787 1.00 0.00 C ATOM 680 O LEU A 43 -0.360 0.684 -5.320 1.00 0.00 O ATOM 681 CB LEU A 43 -0.220 -0.111 -2.399 1.00 0.00 C ATOM 682 CG LEU A 43 0.209 -0.696 -1.043 1.00 0.00 C ATOM 683 CD1 LEU A 43 0.904 -2.045 -1.217 1.00 0.00 C ATOM 684 CD2 LEU A 43 1.127 0.229 -0.244 1.00 0.00 C ATOM 0 H LEU A 43 0.397 2.282 -2.678 1.00 0.00 H new ATOM 0 HA LEU A 43 1.838 -0.197 -3.103 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -0.884 0.734 -2.215 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -0.802 -0.864 -2.931 1.00 0.00 H new ATOM 0 HG LEU A 43 -0.716 -0.818 -0.480 1.00 0.00 H new ATOM 0 HD11 LEU A 43 1.195 -2.433 -0.241 1.00 0.00 H new ATOM 0 HD12 LEU A 43 0.222 -2.746 -1.697 1.00 0.00 H new ATOM 0 HD13 LEU A 43 1.792 -1.920 -1.837 1.00 0.00 H new ATOM 0 HD21 LEU A 43 1.390 -0.247 0.701 1.00 0.00 H new ATOM 0 HD22 LEU A 43 2.034 0.425 -0.816 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.613 1.169 -0.046 1.00 0.00 H new ATOM 696 N ILE A 44 1.281 -0.876 -5.401 1.00 0.00 N ATOM 697 CA ILE A 44 0.926 -1.421 -6.734 1.00 0.00 C ATOM 698 C ILE A 44 0.324 -2.839 -6.667 1.00 0.00 C ATOM 699 O ILE A 44 0.839 -3.727 -5.986 1.00 0.00 O ATOM 700 CB ILE A 44 2.144 -1.381 -7.688 1.00 0.00 C ATOM 701 CG1 ILE A 44 2.823 0.003 -7.760 1.00 0.00 C ATOM 702 CG2 ILE A 44 1.763 -1.841 -9.111 1.00 0.00 C ATOM 703 CD1 ILE A 44 1.932 1.182 -8.171 1.00 0.00 C ATOM 0 H ILE A 44 2.115 -1.300 -4.995 1.00 0.00 H new ATOM 0 HA ILE A 44 0.145 -0.775 -7.134 1.00 0.00 H new ATOM 0 HB ILE A 44 2.865 -2.077 -7.260 1.00 0.00 H new ATOM 0 HG12 ILE A 44 3.252 0.224 -6.782 1.00 0.00 H new ATOM 0 HG13 ILE A 44 3.652 -0.060 -8.465 1.00 0.00 H new ATOM 0 HG21 ILE A 44 2.642 -1.800 -9.754 1.00 0.00 H new ATOM 0 HG22 ILE A 44 1.387 -2.864 -9.074 1.00 0.00 H new ATOM 0 HG23 ILE A 44 0.990 -1.185 -9.511 1.00 0.00 H new ATOM 0 HD11 ILE A 44 2.523 2.098 -8.185 1.00 0.00 H new ATOM 0 HD12 ILE A 44 1.523 1.000 -9.165 1.00 0.00 H new ATOM 0 HD13 ILE A 44 1.116 1.288 -7.456 1.00 0.00 H new ATOM 715 N PHE A 45 -0.727 -3.098 -7.453 1.00 0.00 N ATOM 716 CA PHE A 45 -1.295 -4.441 -7.673 1.00 0.00 C ATOM 717 C PHE A 45 -1.659 -4.772 -9.128 1.00 0.00 C ATOM 718 O PHE A 45 -2.406 -4.024 -9.750 1.00 0.00 O ATOM 719 CB PHE A 45 -2.388 -4.754 -6.637 1.00 0.00 C ATOM 720 CG PHE A 45 -3.291 -5.937 -6.944 1.00 0.00 C ATOM 721 CD1 PHE A 45 -2.948 -7.225 -6.497 1.00 0.00 C ATOM 722 CD2 PHE A 45 -4.491 -5.747 -7.659 1.00 0.00 C ATOM 723 CE1 PHE A 45 -3.801 -8.316 -6.758 1.00 0.00 C ATOM 724 CE2 PHE A 45 -5.344 -6.834 -7.911 1.00 0.00 C ATOM 725 CZ PHE A 45 -5.002 -8.121 -7.458 1.00 0.00 C ATOM 0 H PHE A 45 -1.220 -2.367 -7.967 1.00 0.00 H new ATOM 0 HA PHE A 45 -0.486 -5.149 -7.494 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -1.906 -4.932 -5.676 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -3.013 -3.868 -6.521 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -2.028 -7.379 -5.952 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -4.755 -4.762 -8.014 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -3.530 -9.305 -6.419 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -6.265 -6.681 -8.454 1.00 0.00 H new ATOM 0 HZ PHE A 45 -5.661 -8.956 -7.648 1.00 0.00 H new ATOM 735 N ALA A 46 -1.111 -5.854 -9.697 1.00 0.00 N ATOM 736 CA ALA A 46 -1.282 -6.218 -11.116 1.00 0.00 C ATOM 737 C ALA A 46 -0.982 -5.053 -12.104 1.00 0.00 C ATOM 738 O ALA A 46 -1.698 -4.850 -13.082 1.00 0.00 O ATOM 739 CB ALA A 46 -2.661 -6.869 -11.308 1.00 0.00 C ATOM 0 H ALA A 46 -0.528 -6.512 -9.180 1.00 0.00 H new ATOM 0 HA ALA A 46 -0.523 -6.955 -11.377 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -2.793 -7.140 -12.356 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -2.730 -7.764 -10.690 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -3.440 -6.165 -11.015 1.00 0.00 H new ATOM 745 N GLY A 47 0.047 -4.246 -11.806 1.00 0.00 N ATOM 746 CA GLY A 47 0.423 -3.032 -12.555 1.00 0.00 C ATOM 747 C GLY A 47 -0.488 -1.810 -12.324 1.00 0.00 C ATOM 748 O GLY A 47 -0.137 -0.702 -12.725 1.00 0.00 O ATOM 0 H GLY A 47 0.662 -4.424 -11.012 1.00 0.00 H new ATOM 0 HA2 GLY A 47 1.444 -2.760 -12.286 1.00 0.00 H new ATOM 0 HA3 GLY A 47 0.426 -3.267 -13.619 1.00 0.00 H new ATOM 752 N LYS A 48 -1.636 -1.996 -11.665 1.00 0.00 N ATOM 753 CA LYS A 48 -2.631 -0.967 -11.338 1.00 0.00 C ATOM 754 C LYS A 48 -2.265 -0.280 -10.010 1.00 0.00 C ATOM 755 O LYS A 48 -1.825 -0.937 -9.067 1.00 0.00 O ATOM 756 CB LYS A 48 -3.999 -1.682 -11.282 1.00 0.00 C ATOM 757 CG LYS A 48 -5.210 -0.774 -11.532 1.00 0.00 C ATOM 758 CD LYS A 48 -6.529 -1.560 -11.422 1.00 0.00 C ATOM 759 CE LYS A 48 -6.717 -2.587 -12.551 1.00 0.00 C ATOM 760 NZ LYS A 48 -7.916 -3.430 -12.329 1.00 0.00 N ATOM 0 H LYS A 48 -1.912 -2.918 -11.327 1.00 0.00 H new ATOM 0 HA LYS A 48 -2.664 -0.174 -12.085 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -4.005 -2.483 -12.021 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -4.109 -2.150 -10.304 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -5.210 0.043 -10.811 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -5.133 -0.325 -12.522 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -6.559 -2.075 -10.462 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -7.364 -0.860 -11.434 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -6.809 -2.067 -13.505 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -5.833 -3.221 -12.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -8.011 -4.111 -13.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -7.817 -3.945 -11.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -8.762 -2.827 -12.291 1.00 0.00 H new ATOM 774 N GLN A 49 -2.482 1.027 -9.904 1.00 0.00 N ATOM 775 CA GLN A 49 -2.484 1.735 -8.611 1.00 0.00 C ATOM 776 C GLN A 49 -3.841 1.524 -7.921 1.00 0.00 C ATOM 777 O GLN A 49 -4.845 1.282 -8.584 1.00 0.00 O ATOM 778 CB GLN A 49 -2.206 3.237 -8.829 1.00 0.00 C ATOM 779 CG GLN A 49 -0.791 3.484 -9.378 1.00 0.00 C ATOM 780 CD GLN A 49 -0.368 4.935 -9.305 1.00 0.00 C ATOM 781 OE1 GLN A 49 0.496 5.312 -8.537 1.00 0.00 O ATOM 782 NE2 GLN A 49 -1.039 5.822 -9.992 1.00 0.00 N ATOM 0 H GLN A 49 -2.662 1.632 -10.705 1.00 0.00 H new ATOM 0 HA GLN A 49 -1.697 1.336 -7.972 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -2.941 3.645 -9.523 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -2.328 3.769 -7.886 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -0.080 2.876 -8.818 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -0.747 3.151 -10.415 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -1.767 5.521 -10.640 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -0.835 6.815 -9.880 1.00 0.00 H new ATOM 791 N LEU A 50 -3.905 1.685 -6.602 1.00 0.00 N ATOM 792 CA LEU A 50 -5.111 1.448 -5.784 1.00 0.00 C ATOM 793 C LEU A 50 -5.525 2.760 -5.096 1.00 0.00 C ATOM 794 O LEU A 50 -4.775 3.297 -4.273 1.00 0.00 O ATOM 795 CB LEU A 50 -4.834 0.351 -4.733 1.00 0.00 C ATOM 796 CG LEU A 50 -4.397 -1.001 -5.312 1.00 0.00 C ATOM 797 CD1 LEU A 50 -4.123 -1.965 -4.161 1.00 0.00 C ATOM 798 CD2 LEU A 50 -5.461 -1.630 -6.209 1.00 0.00 C ATOM 0 H LEU A 50 -3.104 1.991 -6.050 1.00 0.00 H new ATOM 0 HA LEU A 50 -5.924 1.109 -6.426 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -4.060 0.706 -4.053 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -5.735 0.201 -4.139 1.00 0.00 H new ATOM 0 HG LEU A 50 -3.507 -0.821 -5.916 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -3.811 -2.930 -4.561 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -3.332 -1.562 -3.529 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -5.030 -2.093 -3.570 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -5.098 -2.584 -6.590 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -6.372 -1.793 -5.633 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -5.674 -0.963 -7.044 1.00 0.00 H new ATOM 810 N GLU A 51 -6.702 3.277 -5.462 1.00 0.00 N ATOM 811 CA GLU A 51 -7.276 4.541 -5.008 1.00 0.00 C ATOM 812 C GLU A 51 -8.399 4.335 -3.986 1.00 0.00 C ATOM 813 O GLU A 51 -9.192 3.403 -4.109 1.00 0.00 O ATOM 814 CB GLU A 51 -7.687 5.385 -6.251 1.00 0.00 C ATOM 815 CG GLU A 51 -7.980 6.879 -5.925 1.00 0.00 C ATOM 816 CD GLU A 51 -8.426 7.791 -7.084 1.00 0.00 C ATOM 817 OE1 GLU A 51 -8.977 7.260 -8.087 1.00 0.00 O ATOM 818 OE2 GLU A 51 -8.297 9.038 -6.947 1.00 0.00 O ATOM 0 H GLU A 51 -7.312 2.794 -6.121 1.00 0.00 H new ATOM 0 HA GLU A 51 -6.526 5.110 -4.459 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -6.890 5.334 -6.993 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -8.573 4.941 -6.704 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -8.754 6.909 -5.158 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -7.080 7.310 -5.487 1.00 0.00 H new ATOM 825 N ASP A 52 -8.468 5.196 -2.965 1.00 0.00 N ATOM 826 CA ASP A 52 -9.577 5.226 -2.005 1.00 0.00 C ATOM 827 C ASP A 52 -11.000 5.327 -2.610 1.00 0.00 C ATOM 828 O ASP A 52 -11.206 5.623 -3.791 1.00 0.00 O ATOM 829 CB ASP A 52 -9.306 6.122 -0.763 1.00 0.00 C ATOM 830 CG ASP A 52 -8.364 7.317 -0.966 1.00 0.00 C ATOM 831 OD1 ASP A 52 -7.201 7.082 -1.384 1.00 0.00 O ATOM 832 OD2 ASP A 52 -8.707 8.455 -0.583 1.00 0.00 O ATOM 0 H ASP A 52 -7.750 5.897 -2.780 1.00 0.00 H new ATOM 0 HA ASP A 52 -9.596 4.213 -1.603 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -10.262 6.500 -0.402 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -8.893 5.494 0.026 1.00 0.00 H new ATOM 837 N GLY A 53 -11.994 4.967 -1.792 1.00 0.00 N ATOM 838 CA GLY A 53 -13.402 4.819 -2.181 1.00 0.00 C ATOM 839 C GLY A 53 -13.800 3.421 -2.685 1.00 0.00 C ATOM 840 O GLY A 53 -14.987 3.111 -2.725 1.00 0.00 O ATOM 0 H GLY A 53 -11.836 4.763 -0.805 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -14.027 5.070 -1.324 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -13.625 5.546 -2.962 1.00 0.00 H new ATOM 844 N ARG A 54 -12.825 2.569 -3.036 1.00 0.00 N ATOM 845 CA ARG A 54 -13.002 1.158 -3.431 1.00 0.00 C ATOM 846 C ARG A 54 -12.801 0.212 -2.235 1.00 0.00 C ATOM 847 O ARG A 54 -12.413 0.649 -1.148 1.00 0.00 O ATOM 848 CB ARG A 54 -12.086 0.809 -4.628 1.00 0.00 C ATOM 849 CG ARG A 54 -12.418 1.589 -5.912 1.00 0.00 C ATOM 850 CD ARG A 54 -11.680 2.932 -6.023 1.00 0.00 C ATOM 851 NE ARG A 54 -12.046 3.661 -7.245 1.00 0.00 N ATOM 852 CZ ARG A 54 -11.764 4.926 -7.512 1.00 0.00 C ATOM 853 NH1 ARG A 54 -11.201 5.744 -6.671 1.00 0.00 N ATOM 854 NH2 ARG A 54 -12.075 5.425 -8.670 1.00 0.00 N ATOM 0 H ARG A 54 -11.846 2.855 -3.054 1.00 0.00 H new ATOM 0 HA ARG A 54 -14.031 1.017 -3.763 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -11.051 1.007 -4.351 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -12.162 -0.259 -4.833 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -12.168 0.974 -6.776 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -13.492 1.770 -5.950 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -11.910 3.545 -5.152 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -10.604 2.757 -6.014 1.00 0.00 H new ATOM 0 HE ARG A 54 -12.566 3.144 -7.954 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -10.948 5.421 -5.737 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -11.013 6.708 -6.946 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -12.535 4.842 -9.370 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -11.859 6.400 -8.880 1.00 0.00 H new ATOM 868 N THR A 55 -13.003 -1.087 -2.457 1.00 0.00 N ATOM 869 CA THR A 55 -12.654 -2.204 -1.547 1.00 0.00 C ATOM 870 C THR A 55 -11.692 -3.246 -2.130 1.00 0.00 C ATOM 871 O THR A 55 -11.487 -3.299 -3.344 1.00 0.00 O ATOM 872 CB THR A 55 -13.864 -2.871 -0.858 1.00 0.00 C ATOM 873 OG1 THR A 55 -14.345 -3.962 -1.613 1.00 0.00 O ATOM 874 CG2 THR A 55 -15.049 -1.944 -0.604 1.00 0.00 C ATOM 0 H THR A 55 -13.437 -1.417 -3.319 1.00 0.00 H new ATOM 0 HA THR A 55 -12.094 -1.692 -0.764 1.00 0.00 H new ATOM 0 HB THR A 55 -13.469 -3.187 0.107 1.00 0.00 H new ATOM 0 HG1 THR A 55 -15.110 -4.367 -1.153 1.00 0.00 H new ATOM 0 HG21 THR A 55 -15.849 -2.501 -0.117 1.00 0.00 H new ATOM 0 HG22 THR A 55 -14.736 -1.122 0.040 1.00 0.00 H new ATOM 0 HG23 THR A 55 -15.409 -1.546 -1.553 1.00 0.00 H new ATOM 882 N LEU A 56 -11.121 -4.106 -1.277 1.00 0.00 N ATOM 883 CA LEU A 56 -10.290 -5.249 -1.690 1.00 0.00 C ATOM 884 C LEU A 56 -11.030 -6.176 -2.672 1.00 0.00 C ATOM 885 O LEU A 56 -10.528 -6.464 -3.759 1.00 0.00 O ATOM 886 CB LEU A 56 -9.889 -6.038 -0.433 1.00 0.00 C ATOM 887 CG LEU A 56 -8.998 -5.262 0.556 1.00 0.00 C ATOM 888 CD1 LEU A 56 -8.861 -6.069 1.841 1.00 0.00 C ATOM 889 CD2 LEU A 56 -7.595 -5.018 -0.006 1.00 0.00 C ATOM 0 H LEU A 56 -11.224 -4.028 -0.265 1.00 0.00 H new ATOM 0 HA LEU A 56 -9.409 -4.868 -2.207 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -10.794 -6.354 0.085 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -9.365 -6.943 -0.740 1.00 0.00 H new ATOM 0 HG LEU A 56 -9.471 -4.297 0.739 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -8.232 -5.526 2.546 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -9.847 -6.225 2.280 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -8.407 -7.034 1.618 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -7.001 -4.468 0.724 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -7.116 -5.974 -0.217 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -7.667 -4.438 -0.926 1.00 0.00 H new ATOM 901 N SER A 57 -12.249 -6.595 -2.311 1.00 0.00 N ATOM 902 CA SER A 57 -13.112 -7.446 -3.144 1.00 0.00 C ATOM 903 C SER A 57 -13.458 -6.815 -4.504 1.00 0.00 C ATOM 904 O SER A 57 -13.531 -7.532 -5.504 1.00 0.00 O ATOM 905 CB SER A 57 -14.376 -7.793 -2.337 1.00 0.00 C ATOM 906 OG SER A 57 -15.334 -8.546 -3.064 1.00 0.00 O ATOM 0 H SER A 57 -12.672 -6.349 -1.416 1.00 0.00 H new ATOM 0 HA SER A 57 -12.565 -8.356 -3.390 1.00 0.00 H new ATOM 0 HB2 SER A 57 -14.085 -8.354 -1.449 1.00 0.00 H new ATOM 0 HB3 SER A 57 -14.840 -6.869 -1.992 1.00 0.00 H new ATOM 0 HG SER A 57 -16.107 -8.731 -2.491 1.00 0.00 H new ATOM 912 N ASP A 58 -13.595 -5.484 -4.563 1.00 0.00 N ATOM 913 CA ASP A 58 -13.937 -4.740 -5.792 1.00 0.00 C ATOM 914 C ASP A 58 -12.786 -4.674 -6.821 1.00 0.00 C ATOM 915 O ASP A 58 -13.009 -4.802 -8.027 1.00 0.00 O ATOM 916 CB ASP A 58 -14.464 -3.347 -5.400 1.00 0.00 C ATOM 917 CG ASP A 58 -14.842 -2.450 -6.586 1.00 0.00 C ATOM 918 OD1 ASP A 58 -15.576 -2.930 -7.487 1.00 0.00 O ATOM 919 OD2 ASP A 58 -14.451 -1.263 -6.562 1.00 0.00 O ATOM 0 H ASP A 58 -13.471 -4.881 -3.750 1.00 0.00 H new ATOM 0 HA ASP A 58 -14.722 -5.289 -6.313 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -15.339 -3.470 -4.761 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -13.704 -2.840 -4.805 1.00 0.00 H new ATOM 924 N TYR A 59 -11.538 -4.583 -6.339 1.00 0.00 N ATOM 925 CA TYR A 59 -10.319 -4.801 -7.133 1.00 0.00 C ATOM 926 C TYR A 59 -9.947 -6.269 -7.463 1.00 0.00 C ATOM 927 O TYR A 59 -8.983 -6.509 -8.194 1.00 0.00 O ATOM 928 CB TYR A 59 -9.137 -3.989 -6.558 1.00 0.00 C ATOM 929 CG TYR A 59 -9.077 -2.494 -6.859 1.00 0.00 C ATOM 930 CD1 TYR A 59 -8.743 -2.035 -8.149 1.00 0.00 C ATOM 931 CD2 TYR A 59 -9.230 -1.560 -5.812 1.00 0.00 C ATOM 932 CE1 TYR A 59 -8.559 -0.652 -8.392 1.00 0.00 C ATOM 933 CE2 TYR A 59 -9.014 -0.188 -6.049 1.00 0.00 C ATOM 934 CZ TYR A 59 -8.685 0.274 -7.338 1.00 0.00 C ATOM 935 OH TYR A 59 -8.475 1.605 -7.533 1.00 0.00 O ATOM 0 H TYR A 59 -11.343 -4.351 -5.365 1.00 0.00 H new ATOM 0 HA TYR A 59 -10.568 -4.415 -8.121 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -9.145 -4.111 -5.475 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -8.214 -4.440 -6.923 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -8.627 -2.742 -8.957 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -9.513 -1.898 -4.826 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -8.322 -0.307 -9.387 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -9.102 0.516 -5.235 1.00 0.00 H new ATOM 0 HH TYR A 59 -9.318 2.036 -7.785 1.00 0.00 H new ATOM 945 N ASN A 60 -10.699 -7.242 -6.923 1.00 0.00 N ATOM 946 CA ASN A 60 -10.416 -8.693 -6.892 1.00 0.00 C ATOM 947 C ASN A 60 -9.089 -9.044 -6.167 1.00 0.00 C ATOM 948 O ASN A 60 -8.320 -9.907 -6.590 1.00 0.00 O ATOM 949 CB ASN A 60 -10.590 -9.320 -8.296 1.00 0.00 C ATOM 950 CG ASN A 60 -11.099 -10.761 -8.243 1.00 0.00 C ATOM 951 OD1 ASN A 60 -10.737 -11.566 -7.397 1.00 0.00 O ATOM 952 ND2 ASN A 60 -11.957 -11.150 -9.157 1.00 0.00 N ATOM 0 H ASN A 60 -11.583 -7.024 -6.464 1.00 0.00 H new ATOM 0 HA ASN A 60 -11.167 -9.170 -6.263 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -11.287 -8.714 -8.875 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -9.635 -9.296 -8.820 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -12.308 -12.108 -9.152 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -12.272 -10.495 -9.872 1.00 0.00 H new ATOM 959 N ILE A 61 -8.808 -8.362 -5.050 1.00 0.00 N ATOM 960 CA ILE A 61 -7.647 -8.615 -4.181 1.00 0.00 C ATOM 961 C ILE A 61 -7.961 -9.782 -3.229 1.00 0.00 C ATOM 962 O ILE A 61 -8.585 -9.611 -2.183 1.00 0.00 O ATOM 963 CB ILE A 61 -7.213 -7.324 -3.443 1.00 0.00 C ATOM 964 CG1 ILE A 61 -6.981 -6.183 -4.463 1.00 0.00 C ATOM 965 CG2 ILE A 61 -5.939 -7.590 -2.620 1.00 0.00 C ATOM 966 CD1 ILE A 61 -6.493 -4.853 -3.881 1.00 0.00 C ATOM 0 H ILE A 61 -9.396 -7.599 -4.715 1.00 0.00 H new ATOM 0 HA ILE A 61 -6.791 -8.911 -4.787 1.00 0.00 H new ATOM 0 HB ILE A 61 -8.005 -7.018 -2.760 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -6.254 -6.523 -5.200 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -7.915 -6.003 -4.996 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -5.641 -6.677 -2.105 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -6.136 -8.372 -1.887 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -5.136 -7.909 -3.285 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -6.365 -4.129 -4.686 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -7.226 -4.477 -3.168 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -5.540 -5.005 -3.375 1.00 0.00 H new ATOM 978 N GLN A 62 -7.550 -10.987 -3.625 1.00 0.00 N ATOM 979 CA GLN A 62 -7.786 -12.248 -2.903 1.00 0.00 C ATOM 980 C GLN A 62 -6.822 -12.472 -1.714 1.00 0.00 C ATOM 981 O GLN A 62 -5.820 -11.772 -1.562 1.00 0.00 O ATOM 982 CB GLN A 62 -7.699 -13.406 -3.913 1.00 0.00 C ATOM 983 CG GLN A 62 -8.798 -13.348 -4.992 1.00 0.00 C ATOM 984 CD GLN A 62 -8.512 -14.255 -6.183 1.00 0.00 C ATOM 985 OE1 GLN A 62 -7.795 -15.245 -6.101 1.00 0.00 O ATOM 986 NE2 GLN A 62 -9.051 -13.941 -7.337 1.00 0.00 N ATOM 0 H GLN A 62 -7.024 -11.122 -4.488 1.00 0.00 H new ATOM 0 HA GLN A 62 -8.779 -12.200 -2.456 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -6.722 -13.387 -4.396 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -7.772 -14.353 -3.379 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -9.752 -13.632 -4.547 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -8.902 -12.321 -5.341 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -9.649 -13.118 -7.414 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -8.872 -14.520 -8.158 1.00 0.00 H new ATOM 995 N LYS A 63 -7.089 -13.497 -0.884 1.00 0.00 N ATOM 996 CA LYS A 63 -6.154 -13.952 0.167 1.00 0.00 C ATOM 997 C LYS A 63 -4.806 -14.381 -0.438 1.00 0.00 C ATOM 998 O LYS A 63 -4.781 -14.867 -1.566 1.00 0.00 O ATOM 999 CB LYS A 63 -6.806 -15.032 1.062 1.00 0.00 C ATOM 1000 CG LYS A 63 -6.696 -16.522 0.644 1.00 0.00 C ATOM 1001 CD LYS A 63 -7.688 -17.058 -0.409 1.00 0.00 C ATOM 1002 CE LYS A 63 -7.199 -16.950 -1.868 1.00 0.00 C ATOM 1003 NZ LYS A 63 -7.253 -18.248 -2.598 1.00 0.00 N ATOM 0 H LYS A 63 -7.956 -14.033 -0.921 1.00 0.00 H new ATOM 0 HA LYS A 63 -5.931 -13.113 0.826 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -6.375 -14.937 2.059 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -7.866 -14.792 1.148 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -5.687 -16.688 0.266 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -6.804 -17.129 1.543 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -7.902 -18.104 -0.188 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -8.628 -16.514 -0.314 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -7.808 -16.217 -2.396 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -6.175 -16.578 -1.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -6.913 -18.113 -3.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -6.650 -18.944 -2.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -8.234 -18.594 -2.619 1.00 0.00 H new ATOM 1017 N GLU A 64 -3.704 -14.184 0.291 1.00 0.00 N ATOM 1018 CA GLU A 64 -2.317 -14.327 -0.211 1.00 0.00 C ATOM 1019 C GLU A 64 -1.941 -13.393 -1.387 1.00 0.00 C ATOM 1020 O GLU A 64 -0.906 -13.585 -2.038 1.00 0.00 O ATOM 1021 CB GLU A 64 -1.934 -15.806 -0.463 1.00 0.00 C ATOM 1022 CG GLU A 64 -1.607 -16.596 0.815 1.00 0.00 C ATOM 1023 CD GLU A 64 -0.342 -17.439 0.607 1.00 0.00 C ATOM 1024 OE1 GLU A 64 -0.468 -18.537 0.015 1.00 0.00 O ATOM 1025 OE2 GLU A 64 0.761 -17.002 1.001 1.00 0.00 O ATOM 0 H GLU A 64 -3.743 -13.913 1.274 1.00 0.00 H new ATOM 0 HA GLU A 64 -1.692 -13.969 0.607 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -2.756 -16.300 -0.982 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -1.071 -15.838 -1.128 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -1.462 -15.909 1.649 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -2.445 -17.242 1.076 1.00 0.00 H new ATOM 1032 N SER A 65 -2.732 -12.340 -1.651 1.00 0.00 N ATOM 1033 CA SER A 65 -2.371 -11.328 -2.651 1.00 0.00 C ATOM 1034 C SER A 65 -0.990 -10.725 -2.369 1.00 0.00 C ATOM 1035 O SER A 65 -0.669 -10.344 -1.241 1.00 0.00 O ATOM 1036 CB SER A 65 -3.416 -10.220 -2.772 1.00 0.00 C ATOM 1037 OG SER A 65 -2.972 -9.271 -3.724 1.00 0.00 O ATOM 0 H SER A 65 -3.623 -12.170 -1.186 1.00 0.00 H new ATOM 0 HA SER A 65 -2.336 -11.850 -3.607 1.00 0.00 H new ATOM 0 HB2 SER A 65 -4.375 -10.639 -3.077 1.00 0.00 H new ATOM 0 HB3 SER A 65 -3.570 -9.740 -1.805 1.00 0.00 H new ATOM 0 HG SER A 65 -3.576 -9.275 -4.496 1.00 0.00 H new ATOM 1043 N THR A 66 -0.174 -10.677 -3.421 1.00 0.00 N ATOM 1044 CA THR A 66 1.247 -10.318 -3.405 1.00 0.00 C ATOM 1045 C THR A 66 1.558 -8.930 -3.963 1.00 0.00 C ATOM 1046 O THR A 66 2.197 -8.781 -5.007 1.00 0.00 O ATOM 1047 CB THR A 66 2.150 -11.461 -3.920 1.00 0.00 C ATOM 1048 OG1 THR A 66 1.542 -12.737 -3.766 1.00 0.00 O ATOM 1049 CG2 THR A 66 3.500 -11.494 -3.207 1.00 0.00 C ATOM 0 H THR A 66 -0.503 -10.900 -4.360 1.00 0.00 H new ATOM 0 HA THR A 66 1.516 -10.205 -2.355 1.00 0.00 H new ATOM 0 HB THR A 66 2.299 -11.252 -4.979 1.00 0.00 H new ATOM 0 HG1 THR A 66 2.146 -13.430 -4.105 1.00 0.00 H new ATOM 0 HG21 THR A 66 4.100 -12.314 -3.602 1.00 0.00 H new ATOM 0 HG22 THR A 66 4.021 -10.551 -3.371 1.00 0.00 H new ATOM 0 HG23 THR A 66 3.344 -11.641 -2.138 1.00 0.00 H new ATOM 1057 N LEU A 67 1.015 -7.902 -3.307 1.00 0.00 N ATOM 1058 CA LEU A 67 1.093 -6.515 -3.761 1.00 0.00 C ATOM 1059 C LEU A 67 2.551 -6.054 -3.828 1.00 0.00 C ATOM 1060 O LEU A 67 3.330 -6.285 -2.906 1.00 0.00 O ATOM 1061 CB LEU A 67 0.280 -5.583 -2.841 1.00 0.00 C ATOM 1062 CG LEU A 67 -1.225 -5.909 -2.753 1.00 0.00 C ATOM 1063 CD1 LEU A 67 -1.577 -6.802 -1.560 1.00 0.00 C ATOM 1064 CD2 LEU A 67 -2.034 -4.621 -2.592 1.00 0.00 C ATOM 0 H LEU A 67 0.502 -8.013 -2.433 1.00 0.00 H new ATOM 0 HA LEU A 67 0.663 -6.465 -4.761 1.00 0.00 H new ATOM 0 HB2 LEU A 67 0.705 -5.625 -1.838 1.00 0.00 H new ATOM 0 HB3 LEU A 67 0.395 -4.558 -3.193 1.00 0.00 H new ATOM 0 HG LEU A 67 -1.467 -6.434 -3.677 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -2.650 -6.995 -1.554 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -1.039 -7.746 -1.641 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -1.293 -6.301 -0.634 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -3.095 -4.863 -2.531 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -1.726 -4.109 -1.680 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -1.859 -3.972 -3.450 1.00 0.00 H new ATOM 1076 N HIS A 68 2.925 -5.367 -4.901 1.00 0.00 N ATOM 1077 CA HIS A 68 4.190 -4.661 -4.964 1.00 0.00 C ATOM 1078 C HIS A 68 4.048 -3.321 -4.334 1.00 0.00 C ATOM 1079 O HIS A 68 2.979 -2.720 -4.215 1.00 0.00 O ATOM 1080 CB HIS A 68 4.742 -4.565 -6.383 1.00 0.00 C ATOM 1081 CG HIS A 68 5.284 -5.881 -6.901 1.00 0.00 C ATOM 1082 ND1 HIS A 68 4.678 -7.115 -6.871 1.00 0.00 N ATOM 1083 CD2 HIS A 68 6.497 -6.064 -7.506 1.00 0.00 C ATOM 1084 CE1 HIS A 68 5.522 -8.006 -7.420 1.00 0.00 C ATOM 1085 NE2 HIS A 68 6.654 -7.411 -7.808 1.00 0.00 N ATOM 0 H HIS A 68 2.360 -5.286 -5.746 1.00 0.00 H new ATOM 0 HA HIS A 68 4.924 -5.239 -4.403 1.00 0.00 H new ATOM 0 HB2 HIS A 68 3.954 -4.216 -7.050 1.00 0.00 H new ATOM 0 HB3 HIS A 68 5.535 -3.817 -6.408 1.00 0.00 H new ATOM 0 HD2 HIS A 68 7.217 -5.287 -7.715 1.00 0.00 H new ATOM 0 HE1 HIS A 68 5.313 -9.060 -7.532 1.00 0.00 H new ATOM 0 HE2 HIS A 68 7.466 -7.854 -8.237 1.00 0.00 H new ATOM 1093 N LEU A 69 5.203 -2.857 -3.932 1.00 0.00 N ATOM 1094 CA LEU A 69 5.362 -1.482 -3.695 1.00 0.00 C ATOM 1095 C LEU A 69 6.045 -0.737 -4.828 1.00 0.00 C ATOM 1096 O LEU A 69 6.917 -1.291 -5.497 1.00 0.00 O ATOM 1097 CB LEU A 69 6.206 -1.301 -2.448 1.00 0.00 C ATOM 1098 CG LEU A 69 6.324 0.062 -1.746 1.00 0.00 C ATOM 1099 CD1 LEU A 69 4.968 0.490 -1.212 1.00 0.00 C ATOM 1100 CD2 LEU A 69 7.295 -0.052 -0.569 1.00 0.00 C ATOM 0 H LEU A 69 6.034 -3.425 -3.768 1.00 0.00 H new ATOM 0 HA LEU A 69 4.359 -1.068 -3.591 1.00 0.00 H new ATOM 0 HB2 LEU A 69 5.831 -2.007 -1.707 1.00 0.00 H new ATOM 0 HB3 LEU A 69 7.218 -1.614 -2.703 1.00 0.00 H new ATOM 0 HG LEU A 69 6.686 0.797 -2.465 1.00 0.00 H new ATOM 0 HD11 LEU A 69 5.061 1.456 -0.716 1.00 0.00 H new ATOM 0 HD12 LEU A 69 4.261 0.572 -2.038 1.00 0.00 H new ATOM 0 HD13 LEU A 69 4.608 -0.251 -0.498 1.00 0.00 H new ATOM 0 HD21 LEU A 69 7.379 0.914 -0.071 1.00 0.00 H new ATOM 0 HD22 LEU A 69 6.924 -0.794 0.138 1.00 0.00 H new ATOM 0 HD23 LEU A 69 8.275 -0.358 -0.934 1.00 0.00 H new ATOM 1112 N VAL A 70 5.820 0.576 -4.849 1.00 0.00 N ATOM 1113 CA VAL A 70 6.927 1.498 -5.094 1.00 0.00 C ATOM 1114 C VAL A 70 7.015 2.704 -4.217 1.00 0.00 C ATOM 1115 O VAL A 70 6.013 3.192 -3.739 1.00 0.00 O ATOM 1116 CB VAL A 70 6.975 2.082 -6.534 1.00 0.00 C ATOM 1117 CG1 VAL A 70 8.356 2.635 -6.966 1.00 0.00 C ATOM 1118 CG2 VAL A 70 6.535 1.085 -7.615 1.00 0.00 C ATOM 0 H VAL A 70 4.911 1.015 -4.704 1.00 0.00 H new ATOM 0 HA VAL A 70 7.751 0.817 -4.882 1.00 0.00 H new ATOM 0 HB VAL A 70 6.266 2.907 -6.464 1.00 0.00 H new ATOM 0 HG11 VAL A 70 8.291 3.020 -7.984 1.00 0.00 H new ATOM 0 HG12 VAL A 70 8.653 3.438 -6.292 1.00 0.00 H new ATOM 0 HG13 VAL A 70 9.096 1.836 -6.927 1.00 0.00 H new ATOM 0 HG21 VAL A 70 6.594 1.561 -8.594 1.00 0.00 H new ATOM 0 HG22 VAL A 70 7.190 0.214 -7.595 1.00 0.00 H new ATOM 0 HG23 VAL A 70 5.509 0.772 -7.425 1.00 0.00 H new ATOM 1128 N LEU A 71 8.182 3.314 -4.203 1.00 0.00 N ATOM 1129 CA LEU A 71 8.309 4.751 -4.111 1.00 0.00 C ATOM 1130 C LEU A 71 7.321 5.628 -4.887 1.00 0.00 C ATOM 1131 O LEU A 71 6.727 5.265 -5.906 1.00 0.00 O ATOM 1132 CB LEU A 71 9.700 5.181 -4.543 1.00 0.00 C ATOM 1133 CG LEU A 71 10.719 5.902 -3.633 1.00 0.00 C ATOM 1134 CD1 LEU A 71 10.542 7.415 -3.607 1.00 0.00 C ATOM 1135 CD2 LEU A 71 10.825 5.341 -2.222 1.00 0.00 C ATOM 0 H LEU A 71 9.074 2.822 -4.256 1.00 0.00 H new ATOM 0 HA LEU A 71 8.083 4.922 -3.058 1.00 0.00 H new ATOM 0 HB2 LEU A 71 10.198 4.278 -4.896 1.00 0.00 H new ATOM 0 HB3 LEU A 71 9.560 5.828 -5.409 1.00 0.00 H new ATOM 0 HG LEU A 71 11.674 5.689 -4.113 1.00 0.00 H new ATOM 0 HD11 LEU A 71 11.290 7.858 -2.949 1.00 0.00 H new ATOM 0 HD12 LEU A 71 10.664 7.813 -4.614 1.00 0.00 H new ATOM 0 HD13 LEU A 71 9.545 7.658 -3.239 1.00 0.00 H new ATOM 0 HD21 LEU A 71 11.564 5.911 -1.659 1.00 0.00 H new ATOM 0 HD22 LEU A 71 9.856 5.414 -1.728 1.00 0.00 H new ATOM 0 HD23 LEU A 71 11.131 4.296 -2.268 1.00 0.00 H new