USER MOD reduce.3.24.130724 H: found=0, std=0, add=575, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 576 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 6 LYS NZ :NH3+ -110:sc= -1.08 (180deg=0) USER MOD Set 1.2: A 68 HIS : no HD1:sc= -1.67 K(o=-2.8,f=-1.8) USER MOD Set 2.1: A 2 GLN : amide:sc= -0.0909 X(o=-0.091,f=-0.54) USER MOD Set 2.2: A 63 LYS NZ :NH3+ -124:sc= 0 (180deg=-0.084) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= -0.164 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.968 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 LYS NZ :NH3+ -128:sc= 0 (180deg=-2.4) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= 0.0771 X(o=0.077,f=0) USER MOD Single : A 33 LYS NZ :NH3+ -145:sc= 0 (180deg=-0.704) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 GLN : amide:sc= -3.33 X(o=-3.3,f=-3.8!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.173 K(o=-0.17,f=-0.97) 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 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 SER OG : rot -90:sc= 0.0332 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 20 N GLN A 2 -13.681 4.234 1.587 1.00 0.00 N ATOM 21 CA GLN A 2 -13.793 2.802 1.323 1.00 0.00 C ATOM 22 C GLN A 2 -13.080 1.990 2.403 1.00 0.00 C ATOM 23 O GLN A 2 -13.607 0.987 2.885 1.00 0.00 O ATOM 24 CB GLN A 2 -13.216 2.466 -0.055 1.00 0.00 C ATOM 25 CG GLN A 2 -14.247 1.918 -1.029 1.00 0.00 C ATOM 26 CD GLN A 2 -14.907 3.007 -1.856 1.00 0.00 C ATOM 27 OE1 GLN A 2 -14.235 3.901 -2.370 1.00 0.00 O ATOM 28 NE2 GLN A 2 -16.231 2.942 -1.989 1.00 0.00 N ATOM 0 HA GLN A 2 -14.850 2.538 1.337 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -12.767 3.364 -0.481 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -12.416 1.735 0.064 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -13.767 1.202 -1.696 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -15.012 1.374 -0.475 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -16.751 2.184 -1.547 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -16.724 3.650 -2.533 1.00 0.00 H new ATOM 37 N ILE A 3 -11.878 2.425 2.781 1.00 0.00 N ATOM 38 CA ILE A 3 -11.104 1.728 3.802 1.00 0.00 C ATOM 39 C ILE A 3 -10.426 2.717 4.748 1.00 0.00 C ATOM 40 O ILE A 3 -10.480 3.927 4.534 1.00 0.00 O ATOM 41 CB ILE A 3 -10.031 0.821 3.170 1.00 0.00 C ATOM 42 CG1 ILE A 3 -9.081 1.648 2.299 1.00 0.00 C ATOM 43 CG2 ILE A 3 -10.685 -0.281 2.350 1.00 0.00 C ATOM 44 CD1 ILE A 3 -7.794 0.929 1.959 1.00 0.00 C ATOM 0 H ILE A 3 -11.423 3.253 2.396 1.00 0.00 H new ATOM 0 HA ILE A 3 -11.804 1.112 4.366 1.00 0.00 H new ATOM 0 HB ILE A 3 -9.452 0.358 3.969 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -9.591 1.919 1.375 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -8.843 2.577 2.816 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -9.914 -0.913 1.910 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -11.324 -0.884 2.995 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -11.286 0.164 1.557 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -7.170 1.574 1.340 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -7.262 0.682 2.878 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -8.022 0.013 1.414 1.00 0.00 H new ATOM 56 N PHE A 4 -9.790 2.198 5.798 1.00 0.00 N ATOM 57 CA PHE A 4 -9.109 3.045 6.770 1.00 0.00 C ATOM 58 C PHE A 4 -7.615 2.728 6.816 1.00 0.00 C ATOM 59 O PHE A 4 -7.206 1.707 7.366 1.00 0.00 O ATOM 60 CB PHE A 4 -9.725 2.860 8.159 1.00 0.00 C ATOM 61 CG PHE A 4 -10.642 3.980 8.562 1.00 0.00 C ATOM 62 CD1 PHE A 4 -11.968 3.988 8.155 1.00 0.00 C ATOM 63 CD2 PHE A 4 -10.180 5.024 9.347 1.00 0.00 C ATOM 64 CE1 PHE A 4 -12.813 5.017 8.524 1.00 0.00 C ATOM 65 CE2 PHE A 4 -11.021 6.055 9.718 1.00 0.00 C ATOM 66 CZ PHE A 4 -12.340 6.052 9.306 1.00 0.00 C ATOM 0 H PHE A 4 -9.734 1.199 5.995 1.00 0.00 H new ATOM 0 HA PHE A 4 -9.233 4.083 6.461 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -10.279 1.922 8.180 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -8.925 2.774 8.894 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -12.344 3.181 7.543 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -9.150 5.032 9.673 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -13.843 5.012 8.201 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -10.648 6.863 10.330 1.00 0.00 H new ATOM 0 HZ PHE A 4 -12.999 6.857 9.595 1.00 0.00 H new ATOM 76 N VAL A 5 -6.802 3.611 6.237 1.00 0.00 N ATOM 77 CA VAL A 5 -5.358 3.418 6.219 1.00 0.00 C ATOM 78 C VAL A 5 -4.630 4.727 6.517 1.00 0.00 C ATOM 79 O VAL A 5 -4.945 5.766 5.938 1.00 0.00 O ATOM 80 CB VAL A 5 -4.877 2.862 4.864 1.00 0.00 C ATOM 81 CG1 VAL A 5 -5.186 3.839 3.739 1.00 0.00 C ATOM 82 CG2 VAL A 5 -3.390 2.546 4.912 1.00 0.00 C ATOM 0 H VAL A 5 -7.120 4.464 5.776 1.00 0.00 H new ATOM 0 HA VAL A 5 -5.124 2.690 6.996 1.00 0.00 H new ATOM 0 HB VAL A 5 -5.416 1.936 4.665 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -4.838 3.426 2.792 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -6.262 4.007 3.688 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -4.680 4.785 3.930 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -3.070 2.155 3.946 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -2.832 3.455 5.138 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -3.201 1.802 5.686 1.00 0.00 H new ATOM 92 N LYS A 6 -3.659 4.674 7.427 1.00 0.00 N ATOM 93 CA LYS A 6 -2.900 5.862 7.798 1.00 0.00 C ATOM 94 C LYS A 6 -1.486 5.814 7.225 1.00 0.00 C ATOM 95 O LYS A 6 -1.006 4.757 6.817 1.00 0.00 O ATOM 96 CB LYS A 6 -2.839 5.998 9.321 1.00 0.00 C ATOM 97 CG LYS A 6 -4.206 6.119 9.975 1.00 0.00 C ATOM 98 CD LYS A 6 -4.625 4.816 10.636 1.00 0.00 C ATOM 99 CE LYS A 6 -3.813 4.542 11.892 1.00 0.00 C ATOM 100 NZ LYS A 6 -3.945 3.129 12.342 1.00 0.00 N ATOM 0 H LYS A 6 -3.382 3.824 7.918 1.00 0.00 H new ATOM 0 HA LYS A 6 -3.410 6.730 7.380 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -2.323 5.132 9.735 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -2.244 6.875 9.576 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -4.185 6.915 10.719 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -4.945 6.402 9.226 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -5.684 4.859 10.889 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -4.498 3.993 9.933 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -2.763 4.766 11.701 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -4.141 5.209 12.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -4.495 3.095 13.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -4.432 2.575 11.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -3.000 2.728 12.508 1.00 0.00 H new ATOM 114 N THR A 7 -0.824 6.970 7.195 1.00 0.00 N ATOM 115 CA THR A 7 0.534 7.061 6.669 1.00 0.00 C ATOM 116 C THR A 7 1.568 7.065 7.808 1.00 0.00 C ATOM 117 O THR A 7 1.299 6.532 8.885 1.00 0.00 O ATOM 118 CB THR A 7 0.669 8.303 5.780 1.00 0.00 C ATOM 119 OG1 THR A 7 -0.605 8.847 5.479 1.00 0.00 O ATOM 120 CG2 THR A 7 1.365 8.012 4.465 1.00 0.00 C ATOM 0 H THR A 7 -1.207 7.855 7.529 1.00 0.00 H new ATOM 0 HA THR A 7 0.734 6.181 6.058 1.00 0.00 H new ATOM 0 HB THR A 7 1.272 9.009 6.351 1.00 0.00 H new ATOM 0 HG1 THR A 7 -0.497 9.639 4.913 1.00 0.00 H new ATOM 0 HG21 THR A 7 1.432 8.928 3.878 1.00 0.00 H new ATOM 0 HG22 THR A 7 2.368 7.632 4.660 1.00 0.00 H new ATOM 0 HG23 THR A 7 0.796 7.266 3.910 1.00 0.00 H new ATOM 128 N LEU A 8 2.746 7.661 7.582 1.00 0.00 N ATOM 129 CA LEU A 8 3.781 7.714 8.604 1.00 0.00 C ATOM 130 C LEU A 8 3.334 8.614 9.757 1.00 0.00 C ATOM 131 O LEU A 8 3.826 8.494 10.879 1.00 0.00 O ATOM 132 CB LEU A 8 5.132 8.150 7.984 1.00 0.00 C ATOM 133 CG LEU A 8 5.769 9.422 8.558 1.00 0.00 C ATOM 134 CD1 LEU A 8 7.284 9.365 8.425 1.00 0.00 C ATOM 135 CD2 LEU A 8 5.219 10.657 7.857 1.00 0.00 C ATOM 0 H LEU A 8 2.999 8.110 6.701 1.00 0.00 H new ATOM 0 HA LEU A 8 3.938 6.719 9.020 1.00 0.00 H new ATOM 0 HB2 LEU A 8 5.841 7.331 8.101 1.00 0.00 H new ATOM 0 HB3 LEU A 8 4.985 8.295 6.914 1.00 0.00 H new ATOM 0 HG LEU A 8 5.517 9.486 9.617 1.00 0.00 H new ATOM 0 HD11 LEU A 8 7.720 10.275 8.837 1.00 0.00 H new ATOM 0 HD12 LEU A 8 7.665 8.501 8.970 1.00 0.00 H new ATOM 0 HD13 LEU A 8 7.554 9.278 7.373 1.00 0.00 H new ATOM 0 HD21 LEU A 8 5.682 11.550 8.277 1.00 0.00 H new ATOM 0 HD22 LEU A 8 5.441 10.600 6.791 1.00 0.00 H new ATOM 0 HD23 LEU A 8 4.140 10.706 8.000 1.00 0.00 H new ATOM 147 N THR A 9 2.383 9.511 9.472 1.00 0.00 N ATOM 148 CA THR A 9 1.857 10.421 10.482 1.00 0.00 C ATOM 149 C THR A 9 0.402 10.072 10.806 1.00 0.00 C ATOM 150 O THR A 9 0.104 9.568 11.889 1.00 0.00 O ATOM 151 CB THR A 9 1.976 11.891 10.028 1.00 0.00 C ATOM 152 OG1 THR A 9 0.835 12.636 10.419 1.00 0.00 O ATOM 153 CG2 THR A 9 2.145 12.074 8.530 1.00 0.00 C ATOM 0 H THR A 9 1.965 9.622 8.548 1.00 0.00 H new ATOM 0 HA THR A 9 2.454 10.304 11.386 1.00 0.00 H new ATOM 0 HB THR A 9 2.881 12.251 10.517 1.00 0.00 H new ATOM 0 HG1 THR A 9 0.933 13.565 10.122 1.00 0.00 H new ATOM 0 HG21 THR A 9 2.221 13.137 8.300 1.00 0.00 H new ATOM 0 HG22 THR A 9 3.052 11.566 8.201 1.00 0.00 H new ATOM 0 HG23 THR A 9 1.284 11.651 8.012 1.00 0.00 H new ATOM 161 N GLY A 10 -0.501 10.335 9.864 1.00 0.00 N ATOM 162 CA GLY A 10 -1.907 10.030 10.083 1.00 0.00 C ATOM 163 C GLY A 10 -2.829 10.713 9.086 1.00 0.00 C ATOM 164 O GLY A 10 -3.813 11.341 9.477 1.00 0.00 O ATOM 0 H GLY A 10 -0.287 10.751 8.958 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -2.052 8.951 10.023 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -2.185 10.333 11.092 1.00 0.00 H new ATOM 168 N LYS A 11 -2.520 10.590 7.794 1.00 0.00 N ATOM 169 CA LYS A 11 -3.342 11.200 6.753 1.00 0.00 C ATOM 170 C LYS A 11 -4.513 10.294 6.380 1.00 0.00 C ATOM 171 O LYS A 11 -4.414 9.070 6.475 1.00 0.00 O ATOM 172 CB LYS A 11 -2.499 11.502 5.510 1.00 0.00 C ATOM 173 CG LYS A 11 -3.031 12.661 4.682 1.00 0.00 C ATOM 174 CD LYS A 11 -2.320 12.762 3.341 1.00 0.00 C ATOM 175 CE LYS A 11 -1.382 13.958 3.294 1.00 0.00 C ATOM 176 NZ LYS A 11 0.015 13.583 3.648 1.00 0.00 N ATOM 0 H LYS A 11 -1.710 10.076 7.447 1.00 0.00 H new ATOM 0 HA LYS A 11 -3.740 12.135 7.147 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -1.478 11.725 5.819 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -2.455 10.610 4.885 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -4.101 12.532 4.519 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -2.903 13.592 5.234 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -1.755 11.848 3.158 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -3.058 12.846 2.543 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -1.399 14.393 2.295 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -1.737 14.725 3.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 0.622 14.426 3.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 0.036 13.191 4.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 0.364 12.870 2.976 1.00 0.00 H new ATOM 190 N THR A 12 -5.618 10.896 5.946 1.00 0.00 N ATOM 191 CA THR A 12 -6.797 10.133 5.551 1.00 0.00 C ATOM 192 C THR A 12 -6.817 9.932 4.036 1.00 0.00 C ATOM 193 O THR A 12 -6.911 10.898 3.278 1.00 0.00 O ATOM 194 CB THR A 12 -8.074 10.846 6.009 1.00 0.00 C ATOM 195 OG1 THR A 12 -9.215 10.022 5.818 1.00 0.00 O ATOM 196 CG2 THR A 12 -8.323 12.157 5.290 1.00 0.00 C ATOM 0 H THR A 12 -5.721 11.907 5.859 1.00 0.00 H new ATOM 0 HA THR A 12 -6.753 9.156 6.032 1.00 0.00 H new ATOM 0 HB THR A 12 -7.917 11.056 7.067 1.00 0.00 H new ATOM 0 HG1 THR A 12 -10.017 10.498 6.119 1.00 0.00 H new ATOM 0 HG21 THR A 12 -9.243 12.608 5.663 1.00 0.00 H new ATOM 0 HG22 THR A 12 -7.488 12.835 5.469 1.00 0.00 H new ATOM 0 HG23 THR A 12 -8.417 11.973 4.220 1.00 0.00 H new ATOM 204 N ILE A 13 -6.720 8.678 3.596 1.00 0.00 N ATOM 205 CA ILE A 13 -6.718 8.375 2.170 1.00 0.00 C ATOM 206 C ILE A 13 -7.807 7.367 1.807 1.00 0.00 C ATOM 207 O ILE A 13 -7.995 6.367 2.500 1.00 0.00 O ATOM 208 CB ILE A 13 -5.349 7.825 1.718 1.00 0.00 C ATOM 209 CG1 ILE A 13 -5.342 7.576 0.207 1.00 0.00 C ATOM 210 CG2 ILE A 13 -5.012 6.547 2.476 1.00 0.00 C ATOM 211 CD1 ILE A 13 -4.054 6.965 -0.300 1.00 0.00 C ATOM 0 H ILE A 13 -6.642 7.862 4.204 1.00 0.00 H new ATOM 0 HA ILE A 13 -6.919 9.312 1.651 1.00 0.00 H new ATOM 0 HB ILE A 13 -4.586 8.569 1.944 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -6.172 6.917 -0.048 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -5.514 8.520 -0.309 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -4.043 6.172 2.145 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -4.974 6.757 3.545 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -5.777 5.796 2.281 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -4.121 6.817 -1.378 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -3.222 7.633 -0.077 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -3.890 6.005 0.189 1.00 0.00 H new ATOM 223 N THR A 14 -8.516 7.633 0.711 1.00 0.00 N ATOM 224 CA THR A 14 -9.577 6.745 0.252 1.00 0.00 C ATOM 225 C THR A 14 -9.126 5.967 -0.982 1.00 0.00 C ATOM 226 O THR A 14 -8.580 6.545 -1.922 1.00 0.00 O ATOM 227 CB THR A 14 -10.841 7.546 -0.068 1.00 0.00 C ATOM 228 OG1 THR A 14 -11.903 6.681 -0.431 1.00 0.00 O ATOM 229 CG2 THR A 14 -10.652 8.538 -1.196 1.00 0.00 C ATOM 0 H THR A 14 -8.373 8.456 0.126 1.00 0.00 H new ATOM 0 HA THR A 14 -9.801 6.037 1.050 1.00 0.00 H new ATOM 0 HB THR A 14 -11.073 8.097 0.844 1.00 0.00 H new ATOM 0 HG1 THR A 14 -12.703 7.211 -0.630 1.00 0.00 H new ATOM 0 HG21 THR A 14 -11.586 9.072 -1.371 1.00 0.00 H new ATOM 0 HG22 THR A 14 -9.872 9.250 -0.927 1.00 0.00 H new ATOM 0 HG23 THR A 14 -10.362 8.007 -2.103 1.00 0.00 H new ATOM 237 N LEU A 15 -9.348 4.653 -0.975 1.00 0.00 N ATOM 238 CA LEU A 15 -8.951 3.813 -2.099 1.00 0.00 C ATOM 239 C LEU A 15 -10.062 2.837 -2.480 1.00 0.00 C ATOM 240 O LEU A 15 -10.661 2.198 -1.614 1.00 0.00 O ATOM 241 CB LEU A 15 -7.675 3.039 -1.757 1.00 0.00 C ATOM 242 CG LEU A 15 -6.370 3.787 -2.035 1.00 0.00 C ATOM 243 CD1 LEU A 15 -5.326 3.448 -0.982 1.00 0.00 C ATOM 244 CD2 LEU A 15 -5.853 3.455 -3.426 1.00 0.00 C ATOM 0 H LEU A 15 -9.797 4.152 -0.208 1.00 0.00 H new ATOM 0 HA LEU A 15 -8.760 4.464 -2.952 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -7.704 2.769 -0.701 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -7.670 2.108 -2.324 1.00 0.00 H new ATOM 0 HG LEU A 15 -6.569 4.858 -1.988 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -4.404 3.989 -1.196 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -5.695 3.735 0.002 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -5.129 2.376 -0.997 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -4.924 3.996 -3.607 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -5.669 2.383 -3.500 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -6.594 3.748 -4.169 1.00 0.00 H new ATOM 256 N GLU A 16 -10.329 2.719 -3.780 1.00 0.00 N ATOM 257 CA GLU A 16 -11.361 1.811 -4.268 1.00 0.00 C ATOM 258 C GLU A 16 -10.746 0.471 -4.667 1.00 0.00 C ATOM 259 O GLU A 16 -9.557 0.398 -4.976 1.00 0.00 O ATOM 260 CB GLU A 16 -12.099 2.427 -5.461 1.00 0.00 C ATOM 261 CG GLU A 16 -13.603 2.208 -5.425 1.00 0.00 C ATOM 262 CD GLU A 16 -14.020 0.910 -6.090 1.00 0.00 C ATOM 263 OE1 GLU A 16 -13.535 0.633 -7.208 1.00 0.00 O ATOM 264 OE2 GLU A 16 -14.832 0.172 -5.494 1.00 0.00 O ATOM 0 H GLU A 16 -9.845 3.240 -4.511 1.00 0.00 H new ATOM 0 HA GLU A 16 -12.077 1.643 -3.464 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -11.897 3.498 -5.489 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -11.700 2.003 -6.383 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -13.941 2.206 -4.389 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -14.100 3.042 -5.921 1.00 0.00 H new ATOM 271 N VAL A 17 -11.553 -0.588 -4.654 1.00 0.00 N ATOM 272 CA VAL A 17 -11.060 -1.912 -5.012 1.00 0.00 C ATOM 273 C VAL A 17 -12.075 -2.688 -5.847 1.00 0.00 C ATOM 274 O VAL A 17 -13.269 -2.696 -5.546 1.00 0.00 O ATOM 275 CB VAL A 17 -10.713 -2.737 -3.758 1.00 0.00 C ATOM 276 CG1 VAL A 17 -10.024 -4.037 -4.143 1.00 0.00 C ATOM 277 CG2 VAL A 17 -9.845 -1.924 -2.809 1.00 0.00 C ATOM 0 H VAL A 17 -12.541 -0.554 -4.402 1.00 0.00 H new ATOM 0 HA VAL A 17 -10.159 -1.755 -5.605 1.00 0.00 H new ATOM 0 HB VAL A 17 -11.641 -2.987 -3.243 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -9.788 -4.604 -3.243 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -10.686 -4.625 -4.779 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -9.104 -3.815 -4.684 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -9.609 -2.522 -1.929 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -8.921 -1.641 -3.313 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -10.382 -1.026 -2.504 1.00 0.00 H new ATOM 287 N GLU A 18 -11.587 -3.352 -6.895 1.00 0.00 N ATOM 288 CA GLU A 18 -12.445 -4.144 -7.771 1.00 0.00 C ATOM 289 C GLU A 18 -12.410 -5.617 -7.359 1.00 0.00 C ATOM 290 O GLU A 18 -11.498 -6.048 -6.656 1.00 0.00 O ATOM 291 CB GLU A 18 -11.997 -3.994 -9.230 1.00 0.00 C ATOM 292 CG GLU A 18 -10.588 -4.503 -9.490 1.00 0.00 C ATOM 293 CD GLU A 18 -10.281 -4.632 -10.969 1.00 0.00 C ATOM 294 OE1 GLU A 18 -11.111 -5.213 -11.699 1.00 0.00 O ATOM 295 OE2 GLU A 18 -9.211 -4.153 -11.397 1.00 0.00 O ATOM 0 H GLU A 18 -10.601 -3.356 -7.157 1.00 0.00 H new ATOM 0 HA GLU A 18 -13.468 -3.779 -7.678 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -12.693 -4.533 -9.872 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -12.052 -2.943 -9.512 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -9.869 -3.824 -9.031 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -10.461 -5.473 -9.010 1.00 0.00 H new ATOM 302 N PRO A 19 -13.410 -6.410 -7.784 1.00 0.00 N ATOM 303 CA PRO A 19 -13.493 -7.833 -7.450 1.00 0.00 C ATOM 304 C PRO A 19 -12.146 -8.554 -7.567 1.00 0.00 C ATOM 305 O PRO A 19 -11.593 -9.006 -6.565 1.00 0.00 O ATOM 306 CB PRO A 19 -14.499 -8.393 -8.472 1.00 0.00 C ATOM 307 CG PRO A 19 -14.860 -7.251 -9.371 1.00 0.00 C ATOM 308 CD PRO A 19 -14.544 -5.996 -8.611 1.00 0.00 C ATOM 0 HA PRO A 19 -13.795 -7.980 -6.413 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -14.060 -9.213 -9.041 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -15.383 -8.789 -7.972 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -14.293 -7.295 -10.301 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -15.916 -7.287 -9.639 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -14.283 -5.173 -9.276 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -15.388 -5.663 -8.007 1.00 0.00 H new ATOM 316 N SER A 20 -11.624 -8.668 -8.790 1.00 0.00 N ATOM 317 CA SER A 20 -10.345 -9.346 -9.016 1.00 0.00 C ATOM 318 C SER A 20 -9.152 -8.384 -8.934 1.00 0.00 C ATOM 319 O SER A 20 -8.190 -8.523 -9.690 1.00 0.00 O ATOM 320 CB SER A 20 -10.352 -10.049 -10.377 1.00 0.00 C ATOM 321 OG SER A 20 -10.000 -11.415 -10.247 1.00 0.00 O ATOM 0 H SER A 20 -12.064 -8.302 -9.635 1.00 0.00 H new ATOM 0 HA SER A 20 -10.228 -10.082 -8.221 1.00 0.00 H new ATOM 0 HB2 SER A 20 -11.341 -9.966 -10.827 1.00 0.00 H new ATOM 0 HB3 SER A 20 -9.653 -9.552 -11.050 1.00 0.00 H new ATOM 0 HG SER A 20 -10.013 -11.842 -11.129 1.00 0.00 H new ATOM 327 N ASP A 21 -9.207 -7.412 -8.023 1.00 0.00 N ATOM 328 CA ASP A 21 -8.114 -6.453 -7.872 1.00 0.00 C ATOM 329 C ASP A 21 -6.923 -7.081 -7.151 1.00 0.00 C ATOM 330 O ASP A 21 -7.040 -7.512 -6.004 1.00 0.00 O ATOM 331 CB ASP A 21 -8.583 -5.214 -7.108 1.00 0.00 C ATOM 332 CG ASP A 21 -7.879 -3.951 -7.567 1.00 0.00 C ATOM 333 OD1 ASP A 21 -7.448 -3.904 -8.739 1.00 0.00 O ATOM 334 OD2 ASP A 21 -7.758 -3.011 -6.754 1.00 0.00 O ATOM 0 H ASP A 21 -9.989 -7.269 -7.384 1.00 0.00 H new ATOM 0 HA ASP A 21 -7.798 -6.157 -8.872 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -9.659 -5.095 -7.239 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -8.406 -5.359 -6.042 1.00 0.00 H new ATOM 339 N THR A 22 -5.772 -7.120 -7.822 1.00 0.00 N ATOM 340 CA THR A 22 -4.565 -7.683 -7.226 1.00 0.00 C ATOM 341 C THR A 22 -3.838 -6.629 -6.392 1.00 0.00 C ATOM 342 O THR A 22 -3.860 -5.444 -6.726 1.00 0.00 O ATOM 343 CB THR A 22 -3.632 -8.232 -8.311 1.00 0.00 C ATOM 344 OG1 THR A 22 -3.968 -7.698 -9.579 1.00 0.00 O ATOM 345 CG2 THR A 22 -3.671 -9.741 -8.425 1.00 0.00 C ATOM 0 H THR A 22 -5.652 -6.770 -8.773 1.00 0.00 H new ATOM 0 HA THR A 22 -4.860 -8.504 -6.573 1.00 0.00 H new ATOM 0 HB THR A 22 -2.629 -7.931 -8.009 1.00 0.00 H new ATOM 0 HG1 THR A 22 -3.360 -8.059 -10.258 1.00 0.00 H new ATOM 0 HG21 THR A 22 -2.988 -10.064 -9.211 1.00 0.00 H new ATOM 0 HG22 THR A 22 -3.369 -10.185 -7.477 1.00 0.00 H new ATOM 0 HG23 THR A 22 -4.684 -10.061 -8.670 1.00 0.00 H new ATOM 353 N ILE A 23 -3.197 -7.060 -5.307 1.00 0.00 N ATOM 354 CA ILE A 23 -2.472 -6.135 -4.438 1.00 0.00 C ATOM 355 C ILE A 23 -1.393 -5.373 -5.211 1.00 0.00 C ATOM 356 O ILE A 23 -1.100 -4.218 -4.900 1.00 0.00 O ATOM 357 CB ILE A 23 -1.822 -6.864 -3.243 1.00 0.00 C ATOM 358 CG1 ILE A 23 -1.156 -5.860 -2.300 1.00 0.00 C ATOM 359 CG2 ILE A 23 -0.814 -7.893 -3.732 1.00 0.00 C ATOM 360 CD1 ILE A 23 -2.141 -4.983 -1.557 1.00 0.00 C ATOM 0 H ILE A 23 -3.165 -8.035 -5.010 1.00 0.00 H new ATOM 0 HA ILE A 23 -3.208 -5.426 -4.058 1.00 0.00 H new ATOM 0 HB ILE A 23 -2.603 -7.386 -2.690 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -0.547 -6.402 -1.577 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -0.480 -5.227 -2.875 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -0.365 -8.398 -2.877 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -1.318 -8.626 -4.362 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -0.035 -7.394 -4.308 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -1.599 -4.296 -0.907 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -2.733 -4.414 -2.273 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -2.801 -5.607 -0.955 1.00 0.00 H new ATOM 372 N GLU A 24 -0.803 -6.017 -6.218 1.00 0.00 N ATOM 373 CA GLU A 24 0.239 -5.379 -7.021 1.00 0.00 C ATOM 374 C GLU A 24 -0.365 -4.377 -8.007 1.00 0.00 C ATOM 375 O GLU A 24 0.199 -3.307 -8.236 1.00 0.00 O ATOM 376 CB GLU A 24 1.057 -6.431 -7.778 1.00 0.00 C ATOM 377 CG GLU A 24 0.275 -7.147 -8.867 1.00 0.00 C ATOM 378 CD GLU A 24 0.952 -8.426 -9.325 1.00 0.00 C ATOM 379 OE1 GLU A 24 2.176 -8.395 -9.571 1.00 0.00 O ATOM 380 OE2 GLU A 24 0.256 -9.457 -9.438 1.00 0.00 O ATOM 0 H GLU A 24 -1.027 -6.973 -6.495 1.00 0.00 H new ATOM 0 HA GLU A 24 0.900 -4.840 -6.342 1.00 0.00 H new ATOM 0 HB2 GLU A 24 1.927 -5.949 -8.225 1.00 0.00 H new ATOM 0 HB3 GLU A 24 1.431 -7.168 -7.067 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -0.724 -7.381 -8.498 1.00 0.00 H new ATOM 0 HG3 GLU A 24 0.152 -6.480 -9.720 1.00 0.00 H new ATOM 387 N ASN A 25 -1.511 -4.727 -8.591 1.00 0.00 N ATOM 388 CA ASN A 25 -2.176 -3.848 -9.553 1.00 0.00 C ATOM 389 C ASN A 25 -2.609 -2.531 -8.902 1.00 0.00 C ATOM 390 O ASN A 25 -2.640 -1.491 -9.561 1.00 0.00 O ATOM 391 CB ASN A 25 -3.393 -4.546 -10.168 1.00 0.00 C ATOM 392 CG ASN A 25 -3.550 -4.237 -11.647 1.00 0.00 C ATOM 393 OD1 ASN A 25 -3.972 -3.143 -12.020 1.00 0.00 O ATOM 394 ND2 ASN A 25 -3.212 -5.201 -12.501 1.00 0.00 N ATOM 0 H ASN A 25 -1.996 -5.607 -8.416 1.00 0.00 H new ATOM 0 HA ASN A 25 -1.457 -3.621 -10.340 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -3.298 -5.623 -10.033 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -4.293 -4.236 -9.637 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -3.299 -5.046 -13.505 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -2.866 -6.094 -12.151 1.00 0.00 H new ATOM 401 N VAL A 26 -2.947 -2.577 -7.612 1.00 0.00 N ATOM 402 CA VAL A 26 -3.380 -1.378 -6.895 1.00 0.00 C ATOM 403 C VAL A 26 -2.214 -0.430 -6.579 1.00 0.00 C ATOM 404 O VAL A 26 -2.434 0.675 -6.082 1.00 0.00 O ATOM 405 CB VAL A 26 -4.105 -1.737 -5.581 1.00 0.00 C ATOM 406 CG1 VAL A 26 -3.169 -2.466 -4.629 1.00 0.00 C ATOM 407 CG2 VAL A 26 -4.676 -0.487 -4.925 1.00 0.00 C ATOM 0 H VAL A 26 -2.929 -3.426 -7.046 1.00 0.00 H new ATOM 0 HA VAL A 26 -4.071 -0.865 -7.564 1.00 0.00 H new ATOM 0 HB VAL A 26 -4.932 -2.406 -5.820 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -3.702 -2.709 -3.710 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -2.817 -3.385 -5.098 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -2.317 -1.827 -4.396 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -5.183 -0.761 -4.000 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -3.867 0.209 -4.703 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -5.387 -0.013 -5.602 1.00 0.00 H new ATOM 417 N LYS A 27 -0.976 -0.851 -6.860 1.00 0.00 N ATOM 418 CA LYS A 27 0.191 -0.012 -6.587 1.00 0.00 C ATOM 419 C LYS A 27 0.064 1.352 -7.268 1.00 0.00 C ATOM 420 O LYS A 27 0.435 2.375 -6.693 1.00 0.00 O ATOM 421 CB LYS A 27 1.475 -0.704 -7.056 1.00 0.00 C ATOM 422 CG LYS A 27 2.175 -1.495 -5.963 1.00 0.00 C ATOM 423 CD LYS A 27 2.837 -2.747 -6.519 1.00 0.00 C ATOM 424 CE LYS A 27 3.034 -3.798 -5.438 1.00 0.00 C ATOM 425 NZ LYS A 27 3.567 -5.073 -5.993 1.00 0.00 N ATOM 0 H LYS A 27 -0.759 -1.759 -7.272 1.00 0.00 H new ATOM 0 HA LYS A 27 0.240 0.141 -5.509 1.00 0.00 H new ATOM 0 HB2 LYS A 27 1.236 -1.375 -7.881 1.00 0.00 H new ATOM 0 HB3 LYS A 27 2.162 0.048 -7.445 1.00 0.00 H new ATOM 0 HG2 LYS A 27 2.926 -0.868 -5.482 1.00 0.00 H new ATOM 0 HG3 LYS A 27 1.453 -1.774 -5.195 1.00 0.00 H new ATOM 0 HD2 LYS A 27 2.224 -3.159 -7.321 1.00 0.00 H new ATOM 0 HD3 LYS A 27 3.801 -2.487 -6.956 1.00 0.00 H new ATOM 0 HE2 LYS A 27 3.720 -3.417 -4.682 1.00 0.00 H new ATOM 0 HE3 LYS A 27 2.084 -3.988 -4.939 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 2.967 -5.864 -5.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 3.568 -5.026 -7.032 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 4.538 -5.221 -5.652 1.00 0.00 H new ATOM 439 N ALA A 28 -0.460 1.364 -8.492 1.00 0.00 N ATOM 440 CA ALA A 28 -0.627 2.612 -9.236 1.00 0.00 C ATOM 441 C ALA A 28 -1.689 3.506 -8.596 1.00 0.00 C ATOM 442 O ALA A 28 -1.511 4.720 -8.502 1.00 0.00 O ATOM 443 CB ALA A 28 -0.983 2.327 -10.688 1.00 0.00 C ATOM 0 H ALA A 28 -0.775 0.530 -8.988 1.00 0.00 H new ATOM 0 HA ALA A 28 0.324 3.144 -9.205 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -1.103 3.268 -11.225 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -0.186 1.745 -11.150 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -1.915 1.764 -10.730 1.00 0.00 H new ATOM 449 N LYS A 29 -2.796 2.904 -8.162 1.00 0.00 N ATOM 450 CA LYS A 29 -3.881 3.661 -7.540 1.00 0.00 C ATOM 451 C LYS A 29 -3.510 4.098 -6.123 1.00 0.00 C ATOM 452 O LYS A 29 -3.779 5.231 -5.727 1.00 0.00 O ATOM 453 CB LYS A 29 -5.166 2.828 -7.505 1.00 0.00 C ATOM 454 CG LYS A 29 -6.430 3.656 -7.675 1.00 0.00 C ATOM 455 CD LYS A 29 -7.664 2.884 -7.235 1.00 0.00 C ATOM 456 CE LYS A 29 -8.837 3.132 -8.169 1.00 0.00 C ATOM 457 NZ LYS A 29 -8.805 2.229 -9.353 1.00 0.00 N ATOM 0 H LYS A 29 -2.964 1.900 -8.229 1.00 0.00 H new ATOM 0 HA LYS A 29 -4.049 4.553 -8.143 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -5.124 2.077 -8.294 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -5.217 2.292 -6.557 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -6.346 4.574 -7.093 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -6.536 3.950 -8.719 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -7.438 1.818 -7.208 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -7.936 3.178 -6.221 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -9.771 2.986 -7.626 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -8.822 4.169 -8.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -9.622 2.430 -9.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -7.926 2.386 -9.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -8.845 1.239 -9.036 1.00 0.00 H new ATOM 471 N ILE A 30 -2.897 3.194 -5.360 1.00 0.00 N ATOM 472 CA ILE A 30 -2.501 3.500 -3.986 1.00 0.00 C ATOM 473 C ILE A 30 -1.428 4.593 -3.927 1.00 0.00 C ATOM 474 O ILE A 30 -1.250 5.230 -2.889 1.00 0.00 O ATOM 475 CB ILE A 30 -1.979 2.246 -3.252 1.00 0.00 C ATOM 476 CG1 ILE A 30 -1.770 2.550 -1.766 1.00 0.00 C ATOM 477 CG2 ILE A 30 -0.687 1.752 -3.884 1.00 0.00 C ATOM 478 CD1 ILE A 30 -1.413 1.331 -0.944 1.00 0.00 C ATOM 0 H ILE A 30 -2.665 2.250 -5.667 1.00 0.00 H new ATOM 0 HA ILE A 30 -3.400 3.861 -3.487 1.00 0.00 H new ATOM 0 HB ILE A 30 -2.725 1.456 -3.344 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -0.978 3.292 -1.663 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -2.679 2.996 -1.363 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -0.336 0.868 -3.352 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -0.867 1.499 -4.929 1.00 0.00 H new ATOM 0 HG23 ILE A 30 0.069 2.535 -3.825 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -1.280 1.621 0.098 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -2.215 0.596 -1.016 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -0.487 0.896 -1.321 1.00 0.00 H new ATOM 490 N GLN A 31 -0.710 4.806 -5.033 1.00 0.00 N ATOM 491 CA GLN A 31 0.340 5.823 -5.077 1.00 0.00 C ATOM 492 C GLN A 31 -0.240 7.222 -4.874 1.00 0.00 C ATOM 493 O GLN A 31 -0.352 8.001 -5.822 1.00 0.00 O ATOM 494 CB GLN A 31 1.097 5.762 -6.408 1.00 0.00 C ATOM 495 CG GLN A 31 2.466 6.420 -6.361 1.00 0.00 C ATOM 496 CD GLN A 31 2.728 7.309 -7.563 1.00 0.00 C ATOM 497 OE1 GLN A 31 2.989 6.820 -8.663 1.00 0.00 O ATOM 498 NE2 GLN A 31 2.663 8.625 -7.363 1.00 0.00 N ATOM 0 H GLN A 31 -0.836 4.291 -5.904 1.00 0.00 H new ATOM 0 HA GLN A 31 1.036 5.615 -4.264 1.00 0.00 H new ATOM 0 HB2 GLN A 31 1.215 4.719 -6.702 1.00 0.00 H new ATOM 0 HB3 GLN A 31 0.497 6.245 -7.180 1.00 0.00 H new ATOM 0 HG2 GLN A 31 2.549 7.013 -5.450 1.00 0.00 H new ATOM 0 HG3 GLN A 31 3.234 5.648 -6.310 1.00 0.00 H new ATOM 0 HE21 GLN A 31 2.444 8.990 -6.436 1.00 0.00 H new ATOM 0 HE22 GLN A 31 2.832 9.267 -8.137 1.00 0.00 H new ATOM 507 N ASP A 32 -0.607 7.539 -3.633 1.00 0.00 N ATOM 508 CA ASP A 32 -1.174 8.848 -3.315 1.00 0.00 C ATOM 509 C ASP A 32 -0.176 9.964 -3.629 1.00 0.00 C ATOM 510 O ASP A 32 -0.375 10.734 -4.568 1.00 0.00 O ATOM 511 CB ASP A 32 -1.595 8.912 -1.842 1.00 0.00 C ATOM 512 CG ASP A 32 -2.170 10.263 -1.460 1.00 0.00 C ATOM 513 OD1 ASP A 32 -3.113 10.720 -2.138 1.00 0.00 O ATOM 514 OD2 ASP A 32 -1.677 10.862 -0.481 1.00 0.00 O ATOM 0 H ASP A 32 -0.522 6.910 -2.835 1.00 0.00 H new ATOM 0 HA ASP A 32 -2.058 8.992 -3.936 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -2.336 8.137 -1.645 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -0.733 8.696 -1.211 1.00 0.00 H new ATOM 519 N LYS A 33 0.901 10.045 -2.847 1.00 0.00 N ATOM 520 CA LYS A 33 1.920 11.071 -3.069 1.00 0.00 C ATOM 521 C LYS A 33 2.942 10.603 -4.108 1.00 0.00 C ATOM 522 O LYS A 33 2.798 10.895 -5.295 1.00 0.00 O ATOM 523 CB LYS A 33 2.624 11.482 -1.760 1.00 0.00 C ATOM 524 CG LYS A 33 2.551 10.455 -0.639 1.00 0.00 C ATOM 525 CD LYS A 33 3.476 10.819 0.511 1.00 0.00 C ATOM 526 CE LYS A 33 2.805 11.779 1.482 1.00 0.00 C ATOM 527 NZ LYS A 33 3.010 13.200 1.088 1.00 0.00 N ATOM 0 H LYS A 33 1.089 9.420 -2.063 1.00 0.00 H new ATOM 0 HA LYS A 33 1.410 11.954 -3.453 1.00 0.00 H new ATOM 0 HB2 LYS A 33 3.672 11.686 -1.978 1.00 0.00 H new ATOM 0 HB3 LYS A 33 2.185 12.415 -1.407 1.00 0.00 H new ATOM 0 HG2 LYS A 33 1.526 10.385 -0.275 1.00 0.00 H new ATOM 0 HG3 LYS A 33 2.820 9.472 -1.026 1.00 0.00 H new ATOM 0 HD2 LYS A 33 3.775 9.914 1.040 1.00 0.00 H new ATOM 0 HD3 LYS A 33 4.386 11.273 0.118 1.00 0.00 H new ATOM 0 HE2 LYS A 33 1.737 11.565 1.525 1.00 0.00 H new ATOM 0 HE3 LYS A 33 3.203 11.619 2.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 3.102 13.787 1.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 3.876 13.281 0.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 2.196 13.526 0.530 1.00 0.00 H new ATOM 541 N GLU A 34 3.970 9.872 -3.668 1.00 0.00 N ATOM 542 CA GLU A 34 4.993 9.375 -4.587 1.00 0.00 C ATOM 543 C GLU A 34 6.039 8.521 -3.864 1.00 0.00 C ATOM 544 O GLU A 34 7.238 8.670 -4.100 1.00 0.00 O ATOM 545 CB GLU A 34 5.680 10.545 -5.295 1.00 0.00 C ATOM 546 CG GLU A 34 6.389 11.499 -4.347 1.00 0.00 C ATOM 547 CD GLU A 34 5.467 12.573 -3.803 1.00 0.00 C ATOM 548 OE1 GLU A 34 4.717 13.172 -4.603 1.00 0.00 O ATOM 549 OE2 GLU A 34 5.495 12.813 -2.578 1.00 0.00 O ATOM 0 H GLU A 34 4.114 9.614 -2.692 1.00 0.00 H new ATOM 0 HA GLU A 34 4.494 8.744 -5.323 1.00 0.00 H new ATOM 0 HB2 GLU A 34 6.403 10.152 -6.010 1.00 0.00 H new ATOM 0 HB3 GLU A 34 4.936 11.100 -5.867 1.00 0.00 H new ATOM 0 HG2 GLU A 34 6.811 10.933 -3.517 1.00 0.00 H new ATOM 0 HG3 GLU A 34 7.222 11.970 -4.868 1.00 0.00 H new ATOM 556 N GLY A 35 5.586 7.626 -2.984 1.00 0.00 N ATOM 557 CA GLY A 35 6.518 6.777 -2.259 1.00 0.00 C ATOM 558 C GLY A 35 5.940 5.417 -1.888 1.00 0.00 C ATOM 559 O GLY A 35 6.371 4.811 -0.907 1.00 0.00 O ATOM 0 H GLY A 35 4.602 7.476 -2.763 1.00 0.00 H new ATOM 0 HA2 GLY A 35 7.411 6.630 -2.867 1.00 0.00 H new ATOM 0 HA3 GLY A 35 6.832 7.290 -1.350 1.00 0.00 H new ATOM 563 N ILE A 36 4.969 4.929 -2.661 1.00 0.00 N ATOM 564 CA ILE A 36 4.357 3.632 -2.379 1.00 0.00 C ATOM 565 C ILE A 36 5.098 2.481 -3.069 1.00 0.00 C ATOM 566 O ILE A 36 5.372 1.461 -2.441 1.00 0.00 O ATOM 567 CB ILE A 36 2.871 3.599 -2.792 1.00 0.00 C ATOM 568 CG1 ILE A 36 2.137 4.817 -2.226 1.00 0.00 C ATOM 569 CG2 ILE A 36 2.219 2.311 -2.314 1.00 0.00 C ATOM 570 CD1 ILE A 36 2.245 4.943 -0.722 1.00 0.00 C ATOM 0 H ILE A 36 4.593 5.408 -3.479 1.00 0.00 H new ATOM 0 HA ILE A 36 4.429 3.496 -1.300 1.00 0.00 H new ATOM 0 HB ILE A 36 2.808 3.633 -3.880 1.00 0.00 H new ATOM 0 HG12 ILE A 36 2.538 5.719 -2.688 1.00 0.00 H new ATOM 0 HG13 ILE A 36 1.084 4.758 -2.503 1.00 0.00 H new ATOM 0 HG21 ILE A 36 1.171 2.301 -2.612 1.00 0.00 H new ATOM 0 HG22 ILE A 36 2.731 1.457 -2.759 1.00 0.00 H new ATOM 0 HG23 ILE A 36 2.288 2.250 -1.228 1.00 0.00 H new ATOM 0 HD11 ILE A 36 1.702 5.828 -0.391 1.00 0.00 H new ATOM 0 HD12 ILE A 36 1.818 4.058 -0.251 1.00 0.00 H new ATOM 0 HD13 ILE A 36 3.294 5.034 -0.439 1.00 0.00 H new ATOM 582 N PRO A 37 5.435 2.617 -4.368 1.00 0.00 N ATOM 583 CA PRO A 37 6.143 1.566 -5.110 1.00 0.00 C ATOM 584 C PRO A 37 7.425 1.098 -4.416 1.00 0.00 C ATOM 585 O PRO A 37 7.694 -0.102 -4.357 1.00 0.00 O ATOM 586 CB PRO A 37 6.474 2.231 -6.448 1.00 0.00 C ATOM 587 CG PRO A 37 5.443 3.291 -6.605 1.00 0.00 C ATOM 588 CD PRO A 37 5.158 3.792 -5.218 1.00 0.00 C ATOM 0 HA PRO A 37 5.534 0.666 -5.200 1.00 0.00 H new ATOM 0 HB2 PRO A 37 7.479 2.653 -6.443 1.00 0.00 H new ATOM 0 HB3 PRO A 37 6.433 1.514 -7.268 1.00 0.00 H new ATOM 0 HG2 PRO A 37 5.804 4.096 -7.245 1.00 0.00 H new ATOM 0 HG3 PRO A 37 4.541 2.894 -7.070 1.00 0.00 H new ATOM 0 HD2 PRO A 37 5.796 4.637 -4.957 1.00 0.00 H new ATOM 0 HD3 PRO A 37 4.126 4.128 -5.116 1.00 0.00 H new ATOM 596 N PRO A 38 8.245 2.032 -3.892 1.00 0.00 N ATOM 597 CA PRO A 38 9.502 1.695 -3.217 1.00 0.00 C ATOM 598 C PRO A 38 9.404 0.453 -2.329 1.00 0.00 C ATOM 599 O PRO A 38 8.311 0.026 -1.956 1.00 0.00 O ATOM 600 CB PRO A 38 9.774 2.939 -2.380 1.00 0.00 C ATOM 601 CG PRO A 38 9.225 4.055 -3.199 1.00 0.00 C ATOM 602 CD PRO A 38 8.025 3.495 -3.922 1.00 0.00 C ATOM 0 HA PRO A 38 10.290 1.446 -3.927 1.00 0.00 H new ATOM 0 HB2 PRO A 38 9.285 2.880 -1.408 1.00 0.00 H new ATOM 0 HB3 PRO A 38 10.840 3.069 -2.193 1.00 0.00 H new ATOM 0 HG2 PRO A 38 8.941 4.898 -2.569 1.00 0.00 H new ATOM 0 HG3 PRO A 38 9.969 4.422 -3.906 1.00 0.00 H new ATOM 0 HD2 PRO A 38 7.095 3.770 -3.425 1.00 0.00 H new ATOM 0 HD3 PRO A 38 7.963 3.869 -4.944 1.00 0.00 H new ATOM 610 N ASP A 39 10.564 -0.121 -1.997 1.00 0.00 N ATOM 611 CA ASP A 39 10.633 -1.319 -1.155 1.00 0.00 C ATOM 612 C ASP A 39 10.237 -1.049 0.304 1.00 0.00 C ATOM 613 O ASP A 39 10.263 -1.965 1.124 1.00 0.00 O ATOM 614 CB ASP A 39 12.043 -1.916 -1.198 1.00 0.00 C ATOM 615 CG ASP A 39 13.094 -0.961 -0.670 1.00 0.00 C ATOM 616 OD1 ASP A 39 13.052 -0.639 0.536 1.00 0.00 O ATOM 617 OD2 ASP A 39 13.960 -0.533 -1.463 1.00 0.00 O ATOM 0 H ASP A 39 11.473 0.227 -2.301 1.00 0.00 H new ATOM 0 HA ASP A 39 9.911 -2.027 -1.563 1.00 0.00 H new ATOM 0 HB2 ASP A 39 12.063 -2.834 -0.611 1.00 0.00 H new ATOM 0 HB3 ASP A 39 12.287 -2.189 -2.225 1.00 0.00 H new ATOM 622 N GLN A 40 9.878 0.194 0.639 1.00 0.00 N ATOM 623 CA GLN A 40 9.495 0.519 2.010 1.00 0.00 C ATOM 624 C GLN A 40 7.990 0.338 2.239 1.00 0.00 C ATOM 625 O GLN A 40 7.475 0.707 3.295 1.00 0.00 O ATOM 626 CB GLN A 40 9.900 1.957 2.349 1.00 0.00 C ATOM 627 CG GLN A 40 11.303 2.317 1.887 1.00 0.00 C ATOM 628 CD GLN A 40 11.913 3.443 2.701 1.00 0.00 C ATOM 629 OE1 GLN A 40 11.725 4.619 2.391 1.00 0.00 O ATOM 630 NE2 GLN A 40 12.652 3.091 3.752 1.00 0.00 N ATOM 0 H GLN A 40 9.846 0.979 -0.012 1.00 0.00 H new ATOM 0 HA GLN A 40 10.021 -0.173 2.667 1.00 0.00 H new ATOM 0 HB2 GLN A 40 9.188 2.644 1.892 1.00 0.00 H new ATOM 0 HB3 GLN A 40 9.833 2.100 3.427 1.00 0.00 H new ATOM 0 HG2 GLN A 40 11.942 1.436 1.956 1.00 0.00 H new ATOM 0 HG3 GLN A 40 11.273 2.608 0.837 1.00 0.00 H new ATOM 0 HE21 GLN A 40 12.784 2.105 3.975 1.00 0.00 H new ATOM 0 HE22 GLN A 40 13.086 3.808 4.333 1.00 0.00 H new ATOM 639 N GLN A 41 7.285 -0.238 1.260 1.00 0.00 N ATOM 640 CA GLN A 41 5.849 -0.462 1.398 1.00 0.00 C ATOM 641 C GLN A 41 5.574 -1.828 2.028 1.00 0.00 C ATOM 642 O GLN A 41 5.817 -2.864 1.408 1.00 0.00 O ATOM 643 CB GLN A 41 5.155 -0.359 0.033 1.00 0.00 C ATOM 644 CG GLN A 41 5.461 -1.518 -0.904 1.00 0.00 C ATOM 645 CD GLN A 41 5.077 -1.228 -2.344 1.00 0.00 C ATOM 646 OE1 GLN A 41 5.881 -1.410 -3.257 1.00 0.00 O ATOM 647 NE2 GLN A 41 3.844 -0.772 -2.558 1.00 0.00 N ATOM 0 H GLN A 41 7.682 -0.553 0.375 1.00 0.00 H new ATOM 0 HA GLN A 41 5.446 0.310 2.054 1.00 0.00 H new ATOM 0 HB2 GLN A 41 4.077 -0.305 0.188 1.00 0.00 H new ATOM 0 HB3 GLN A 41 5.456 0.572 -0.447 1.00 0.00 H new ATOM 0 HG2 GLN A 41 6.526 -1.747 -0.856 1.00 0.00 H new ATOM 0 HG3 GLN A 41 4.928 -2.406 -0.563 1.00 0.00 H new ATOM 0 HE21 GLN A 41 3.208 -0.635 -1.773 1.00 0.00 H new ATOM 0 HE22 GLN A 41 3.536 -0.560 -3.507 1.00 0.00 H new ATOM 656 N ARG A 42 5.074 -1.829 3.262 1.00 0.00 N ATOM 657 CA ARG A 42 4.779 -3.076 3.960 1.00 0.00 C ATOM 658 C ARG A 42 3.528 -2.943 4.825 1.00 0.00 C ATOM 659 O ARG A 42 3.197 -1.852 5.289 1.00 0.00 O ATOM 660 CB ARG A 42 5.969 -3.495 4.825 1.00 0.00 C ATOM 661 CG ARG A 42 7.169 -3.971 4.021 1.00 0.00 C ATOM 662 CD ARG A 42 7.632 -5.351 4.466 1.00 0.00 C ATOM 663 NE ARG A 42 9.038 -5.596 4.142 1.00 0.00 N ATOM 664 CZ ARG A 42 9.784 -6.527 4.736 1.00 0.00 C ATOM 665 NH1 ARG A 42 9.262 -7.303 5.679 1.00 0.00 N ATOM 666 NH2 ARG A 42 11.053 -6.685 4.385 1.00 0.00 N ATOM 0 H ARG A 42 4.866 -0.985 3.796 1.00 0.00 H new ATOM 0 HA ARG A 42 4.594 -3.844 3.209 1.00 0.00 H new ATOM 0 HB2 ARG A 42 6.270 -2.652 5.447 1.00 0.00 H new ATOM 0 HB3 ARG A 42 5.655 -4.292 5.499 1.00 0.00 H new ATOM 0 HG2 ARG A 42 6.911 -3.997 2.962 1.00 0.00 H new ATOM 0 HG3 ARG A 42 7.987 -3.259 4.132 1.00 0.00 H new ATOM 0 HD2 ARG A 42 7.486 -5.451 5.542 1.00 0.00 H new ATOM 0 HD3 ARG A 42 7.014 -6.111 3.988 1.00 0.00 H new ATOM 0 HE ARG A 42 9.472 -5.021 3.420 1.00 0.00 H new ATOM 0 HH11 ARG A 42 8.286 -7.188 5.952 1.00 0.00 H new ATOM 0 HH12 ARG A 42 9.837 -8.014 6.131 1.00 0.00 H new ATOM 0 HH21 ARG A 42 11.459 -6.094 3.660 1.00 0.00 H new ATOM 0 HH22 ARG A 42 11.623 -7.398 4.840 1.00 0.00 H new ATOM 680 N LEU A 43 2.836 -4.061 5.041 1.00 0.00 N ATOM 681 CA LEU A 43 1.625 -4.064 5.854 1.00 0.00 C ATOM 682 C LEU A 43 1.876 -4.746 7.198 1.00 0.00 C ATOM 683 O LEU A 43 2.738 -5.617 7.308 1.00 0.00 O ATOM 684 CB LEU A 43 0.491 -4.773 5.112 1.00 0.00 C ATOM 685 CG LEU A 43 0.366 -4.419 3.629 1.00 0.00 C ATOM 686 CD1 LEU A 43 1.104 -5.437 2.774 1.00 0.00 C ATOM 687 CD2 LEU A 43 -1.098 -4.338 3.221 1.00 0.00 C ATOM 0 H LEU A 43 3.094 -4.973 4.664 1.00 0.00 H new ATOM 0 HA LEU A 43 1.337 -3.029 6.040 1.00 0.00 H new ATOM 0 HB2 LEU A 43 0.636 -5.850 5.202 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -0.451 -4.536 5.607 1.00 0.00 H new ATOM 0 HG LEU A 43 0.821 -3.442 3.469 1.00 0.00 H new ATOM 0 HD11 LEU A 43 1.004 -5.169 1.722 1.00 0.00 H new ATOM 0 HD12 LEU A 43 2.159 -5.446 3.048 1.00 0.00 H new ATOM 0 HD13 LEU A 43 0.678 -6.427 2.938 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.167 -4.085 2.163 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -1.578 -5.301 3.396 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -1.598 -3.570 3.811 1.00 0.00 H new ATOM 699 N ILE A 44 1.121 -4.344 8.219 1.00 0.00 N ATOM 700 CA ILE A 44 1.271 -4.921 9.550 1.00 0.00 C ATOM 701 C ILE A 44 0.053 -5.765 9.926 1.00 0.00 C ATOM 702 O ILE A 44 -0.645 -5.465 10.895 1.00 0.00 O ATOM 703 CB ILE A 44 1.476 -3.826 10.614 1.00 0.00 C ATOM 704 CG1 ILE A 44 2.553 -2.839 10.163 1.00 0.00 C ATOM 705 CG2 ILE A 44 1.849 -4.450 11.951 1.00 0.00 C ATOM 706 CD1 ILE A 44 3.917 -3.472 9.987 1.00 0.00 C ATOM 0 H ILE A 44 0.402 -3.624 8.149 1.00 0.00 H new ATOM 0 HA ILE A 44 2.154 -5.560 9.522 1.00 0.00 H new ATOM 0 HB ILE A 44 0.540 -3.281 10.737 1.00 0.00 H new ATOM 0 HG12 ILE A 44 2.247 -2.386 9.220 1.00 0.00 H new ATOM 0 HG13 ILE A 44 2.626 -2.034 10.895 1.00 0.00 H new ATOM 0 HG21 ILE A 44 1.991 -3.664 12.693 1.00 0.00 H new ATOM 0 HG22 ILE A 44 1.051 -5.117 12.277 1.00 0.00 H new ATOM 0 HG23 ILE A 44 2.773 -5.017 11.843 1.00 0.00 H new ATOM 0 HD11 ILE A 44 4.631 -2.714 9.666 1.00 0.00 H new ATOM 0 HD12 ILE A 44 4.244 -3.901 10.934 1.00 0.00 H new ATOM 0 HD13 ILE A 44 3.859 -4.258 9.234 1.00 0.00 H new ATOM 718 N PHE A 45 -0.199 -6.822 9.156 1.00 0.00 N ATOM 719 CA PHE A 45 -1.336 -7.700 9.421 1.00 0.00 C ATOM 720 C PHE A 45 -1.081 -9.111 8.889 1.00 0.00 C ATOM 721 O PHE A 45 -0.904 -9.308 7.687 1.00 0.00 O ATOM 722 CB PHE A 45 -2.607 -7.126 8.792 1.00 0.00 C ATOM 723 CG PHE A 45 -3.793 -7.146 9.713 1.00 0.00 C ATOM 724 CD1 PHE A 45 -3.778 -6.433 10.900 1.00 0.00 C ATOM 725 CD2 PHE A 45 -4.926 -7.878 9.390 1.00 0.00 C ATOM 726 CE1 PHE A 45 -4.868 -6.449 11.749 1.00 0.00 C ATOM 727 CE2 PHE A 45 -6.019 -7.898 10.235 1.00 0.00 C ATOM 728 CZ PHE A 45 -5.991 -7.183 11.417 1.00 0.00 C ATOM 0 H PHE A 45 0.365 -7.090 8.349 1.00 0.00 H new ATOM 0 HA PHE A 45 -1.467 -7.762 10.501 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -2.417 -6.099 8.480 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -2.846 -7.693 7.892 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -2.904 -5.857 11.165 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -4.954 -8.439 8.467 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -4.842 -5.888 12.672 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -6.895 -8.472 9.972 1.00 0.00 H new ATOM 0 HZ PHE A 45 -6.844 -7.198 12.079 1.00 0.00 H new ATOM 738 N ALA A 46 -1.068 -10.092 9.791 1.00 0.00 N ATOM 739 CA ALA A 46 -0.838 -11.480 9.407 1.00 0.00 C ATOM 740 C ALA A 46 0.499 -11.652 8.683 1.00 0.00 C ATOM 741 O ALA A 46 0.629 -12.509 7.810 1.00 0.00 O ATOM 742 CB ALA A 46 -1.978 -11.976 8.531 1.00 0.00 C ATOM 0 H ALA A 46 -1.214 -9.949 10.790 1.00 0.00 H new ATOM 0 HA ALA A 46 -0.799 -12.076 10.319 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -1.796 -13.013 8.250 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -2.916 -11.908 9.082 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -2.040 -11.362 7.632 1.00 0.00 H new ATOM 748 N GLY A 47 1.492 -10.837 9.048 1.00 0.00 N ATOM 749 CA GLY A 47 2.799 -10.929 8.417 1.00 0.00 C ATOM 750 C GLY A 47 2.721 -11.019 6.901 1.00 0.00 C ATOM 751 O GLY A 47 3.433 -11.812 6.285 1.00 0.00 O ATOM 0 H GLY A 47 1.413 -10.118 9.767 1.00 0.00 H new ATOM 0 HA2 GLY A 47 3.392 -10.058 8.694 1.00 0.00 H new ATOM 0 HA3 GLY A 47 3.321 -11.805 8.801 1.00 0.00 H new ATOM 755 N LYS A 48 1.854 -10.207 6.297 1.00 0.00 N ATOM 756 CA LYS A 48 1.694 -10.209 4.846 1.00 0.00 C ATOM 757 C LYS A 48 2.432 -9.031 4.213 1.00 0.00 C ATOM 758 O LYS A 48 2.381 -7.911 4.723 1.00 0.00 O ATOM 759 CB LYS A 48 0.211 -10.153 4.477 1.00 0.00 C ATOM 760 CG LYS A 48 -0.082 -10.635 3.065 1.00 0.00 C ATOM 761 CD LYS A 48 -0.523 -12.090 3.052 1.00 0.00 C ATOM 762 CE LYS A 48 -0.583 -12.642 1.637 1.00 0.00 C ATOM 763 NZ LYS A 48 0.637 -13.423 1.294 1.00 0.00 N ATOM 0 H LYS A 48 1.255 -9.543 6.788 1.00 0.00 H new ATOM 0 HA LYS A 48 2.124 -11.133 4.460 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -0.354 -10.760 5.184 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -0.143 -9.128 4.583 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -0.861 -10.014 2.622 1.00 0.00 H new ATOM 0 HG3 LYS A 48 0.809 -10.518 2.448 1.00 0.00 H new ATOM 0 HD2 LYS A 48 0.169 -12.686 3.647 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -1.504 -12.178 3.520 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -1.462 -13.278 1.532 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -0.698 -11.820 0.931 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 0.557 -13.782 0.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 1.474 -12.810 1.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 0.733 -14.223 1.952 1.00 0.00 H new ATOM 777 N GLN A 49 3.119 -9.288 3.100 1.00 0.00 N ATOM 778 CA GLN A 49 3.862 -8.241 2.406 1.00 0.00 C ATOM 779 C GLN A 49 2.979 -7.532 1.381 1.00 0.00 C ATOM 780 O GLN A 49 1.875 -7.987 1.081 1.00 0.00 O ATOM 781 CB GLN A 49 5.103 -8.824 1.720 1.00 0.00 C ATOM 782 CG GLN A 49 4.786 -9.725 0.537 1.00 0.00 C ATOM 783 CD GLN A 49 5.851 -10.781 0.306 1.00 0.00 C ATOM 784 OE1 GLN A 49 6.402 -11.339 1.256 1.00 0.00 O ATOM 785 NE2 GLN A 49 6.150 -11.066 -0.960 1.00 0.00 N ATOM 0 H GLN A 49 3.175 -10.208 2.663 1.00 0.00 H new ATOM 0 HA GLN A 49 4.183 -7.510 3.148 1.00 0.00 H new ATOM 0 HB2 GLN A 49 5.737 -8.005 1.381 1.00 0.00 H new ATOM 0 HB3 GLN A 49 5.678 -9.391 2.452 1.00 0.00 H new ATOM 0 HG2 GLN A 49 3.826 -10.213 0.704 1.00 0.00 H new ATOM 0 HG3 GLN A 49 4.682 -9.116 -0.361 1.00 0.00 H new ATOM 0 HE21 GLN A 49 5.671 -10.581 -1.719 1.00 0.00 H new ATOM 0 HE22 GLN A 49 6.858 -11.769 -1.171 1.00 0.00 H new ATOM 794 N LEU A 50 3.468 -6.413 0.849 1.00 0.00 N ATOM 795 CA LEU A 50 2.714 -5.645 -0.140 1.00 0.00 C ATOM 796 C LEU A 50 2.814 -6.276 -1.529 1.00 0.00 C ATOM 797 O LEU A 50 1.843 -6.284 -2.284 1.00 0.00 O ATOM 798 CB LEU A 50 3.213 -4.198 -0.190 1.00 0.00 C ATOM 799 CG LEU A 50 2.130 -3.148 -0.444 1.00 0.00 C ATOM 800 CD1 LEU A 50 1.523 -3.330 -1.826 1.00 0.00 C ATOM 801 CD2 LEU A 50 1.052 -3.224 0.627 1.00 0.00 C ATOM 0 H LEU A 50 4.379 -6.019 1.085 1.00 0.00 H new ATOM 0 HA LEU A 50 1.668 -5.653 0.165 1.00 0.00 H new ATOM 0 HB2 LEU A 50 3.707 -3.967 0.754 1.00 0.00 H new ATOM 0 HB3 LEU A 50 3.967 -4.117 -0.973 1.00 0.00 H new ATOM 0 HG LEU A 50 2.591 -2.161 -0.399 1.00 0.00 H new ATOM 0 HD11 LEU A 50 0.755 -2.574 -1.988 1.00 0.00 H new ATOM 0 HD12 LEU A 50 2.301 -3.225 -2.582 1.00 0.00 H new ATOM 0 HD13 LEU A 50 1.077 -4.322 -1.900 1.00 0.00 H new ATOM 0 HD21 LEU A 50 0.290 -2.470 0.430 1.00 0.00 H new ATOM 0 HD22 LEU A 50 0.595 -4.214 0.614 1.00 0.00 H new ATOM 0 HD23 LEU A 50 1.498 -3.043 1.605 1.00 0.00 H new ATOM 813 N GLU A 51 3.995 -6.802 -1.869 1.00 0.00 N ATOM 814 CA GLU A 51 4.205 -7.426 -3.175 1.00 0.00 C ATOM 815 C GLU A 51 3.877 -8.926 -3.169 1.00 0.00 C ATOM 816 O GLU A 51 4.295 -9.652 -4.072 1.00 0.00 O ATOM 817 CB GLU A 51 5.649 -7.216 -3.637 1.00 0.00 C ATOM 818 CG GLU A 51 6.681 -7.841 -2.711 1.00 0.00 C ATOM 819 CD GLU A 51 7.445 -6.809 -1.905 1.00 0.00 C ATOM 820 OE1 GLU A 51 7.621 -5.677 -2.404 1.00 0.00 O ATOM 821 OE2 GLU A 51 7.867 -7.131 -0.775 1.00 0.00 O ATOM 0 H GLU A 51 4.814 -6.807 -1.261 1.00 0.00 H new ATOM 0 HA GLU A 51 3.519 -6.943 -3.871 1.00 0.00 H new ATOM 0 HB2 GLU A 51 5.767 -7.637 -4.636 1.00 0.00 H new ATOM 0 HB3 GLU A 51 5.844 -6.147 -3.716 1.00 0.00 H new ATOM 0 HG2 GLU A 51 6.182 -8.531 -2.030 1.00 0.00 H new ATOM 0 HG3 GLU A 51 7.384 -8.428 -3.301 1.00 0.00 H new ATOM 828 N ASP A 52 3.131 -9.396 -2.163 1.00 0.00 N ATOM 829 CA ASP A 52 2.768 -10.814 -2.081 1.00 0.00 C ATOM 830 C ASP A 52 2.247 -11.333 -3.423 1.00 0.00 C ATOM 831 O ASP A 52 2.553 -12.456 -3.823 1.00 0.00 O ATOM 832 CB ASP A 52 1.706 -11.036 -0.998 1.00 0.00 C ATOM 833 CG ASP A 52 0.498 -10.139 -1.181 1.00 0.00 C ATOM 834 OD1 ASP A 52 0.583 -8.947 -0.820 1.00 0.00 O ATOM 835 OD2 ASP A 52 -0.534 -10.628 -1.686 1.00 0.00 O ATOM 0 H ASP A 52 2.770 -8.821 -1.402 1.00 0.00 H new ATOM 0 HA ASP A 52 3.670 -11.369 -1.821 1.00 0.00 H new ATOM 0 HB2 ASP A 52 1.387 -12.078 -1.014 1.00 0.00 H new ATOM 0 HB3 ASP A 52 2.146 -10.852 -0.018 1.00 0.00 H new ATOM 840 N GLY A 53 1.456 -10.510 -4.111 1.00 0.00 N ATOM 841 CA GLY A 53 0.905 -10.908 -5.394 1.00 0.00 C ATOM 842 C GLY A 53 -0.432 -11.624 -5.269 1.00 0.00 C ATOM 843 O GLY A 53 -0.848 -12.329 -6.188 1.00 0.00 O ATOM 0 H GLY A 53 1.188 -9.576 -3.801 1.00 0.00 H new ATOM 0 HA2 GLY A 53 0.781 -10.024 -6.020 1.00 0.00 H new ATOM 0 HA3 GLY A 53 1.615 -11.561 -5.902 1.00 0.00 H new ATOM 847 N ARG A 54 -1.113 -11.445 -4.133 1.00 0.00 N ATOM 848 CA ARG A 54 -2.405 -12.082 -3.911 1.00 0.00 C ATOM 849 C ARG A 54 -3.535 -11.058 -3.984 1.00 0.00 C ATOM 850 O ARG A 54 -3.287 -9.861 -4.124 1.00 0.00 O ATOM 851 CB ARG A 54 -2.423 -12.787 -2.553 1.00 0.00 C ATOM 852 CG ARG A 54 -1.328 -13.830 -2.396 1.00 0.00 C ATOM 853 CD ARG A 54 -1.866 -15.118 -1.793 1.00 0.00 C ATOM 854 NE ARG A 54 -0.818 -15.898 -1.140 1.00 0.00 N ATOM 855 CZ ARG A 54 0.055 -16.662 -1.795 1.00 0.00 C ATOM 856 NH1 ARG A 54 0.008 -16.748 -3.118 1.00 0.00 N ATOM 857 NH2 ARG A 54 0.978 -17.341 -1.125 1.00 0.00 N ATOM 0 H ARG A 54 -0.789 -10.866 -3.359 1.00 0.00 H new ATOM 0 HA ARG A 54 -2.559 -12.822 -4.697 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -2.320 -12.042 -1.764 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -3.392 -13.266 -2.414 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -0.883 -14.041 -3.368 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -0.535 -13.434 -1.762 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -2.645 -14.881 -1.069 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -2.330 -15.718 -2.576 1.00 0.00 H new ATOM 0 HE ARG A 54 -0.751 -15.855 -0.123 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -0.699 -16.228 -3.638 1.00 0.00 H new ATOM 0 HH12 ARG A 54 0.679 -17.334 -3.615 1.00 0.00 H new ATOM 0 HH21 ARG A 54 1.019 -17.278 -0.108 1.00 0.00 H new ATOM 0 HH22 ARG A 54 1.646 -17.926 -1.627 1.00 0.00 H new ATOM 871 N THR A 55 -4.777 -11.529 -3.883 1.00 0.00 N ATOM 872 CA THR A 55 -5.931 -10.643 -3.932 1.00 0.00 C ATOM 873 C THR A 55 -6.443 -10.346 -2.525 1.00 0.00 C ATOM 874 O THR A 55 -6.601 -11.252 -1.710 1.00 0.00 O ATOM 875 CB THR A 55 -7.048 -11.265 -4.773 1.00 0.00 C ATOM 876 OG1 THR A 55 -6.561 -11.643 -6.049 1.00 0.00 O ATOM 877 CG2 THR A 55 -8.224 -10.337 -4.987 1.00 0.00 C ATOM 0 H THR A 55 -5.006 -12.516 -3.767 1.00 0.00 H new ATOM 0 HA THR A 55 -5.620 -9.707 -4.395 1.00 0.00 H new ATOM 0 HB THR A 55 -7.389 -12.131 -4.207 1.00 0.00 H new ATOM 0 HG1 THR A 55 -7.288 -12.040 -6.572 1.00 0.00 H new ATOM 0 HG21 THR A 55 -8.979 -10.840 -5.591 1.00 0.00 H new ATOM 0 HG22 THR A 55 -8.653 -10.065 -4.023 1.00 0.00 H new ATOM 0 HG23 THR A 55 -7.888 -9.437 -5.502 1.00 0.00 H new ATOM 885 N LEU A 56 -6.704 -9.073 -2.239 1.00 0.00 N ATOM 886 CA LEU A 56 -7.200 -8.678 -0.919 1.00 0.00 C ATOM 887 C LEU A 56 -8.422 -9.510 -0.517 1.00 0.00 C ATOM 888 O LEU A 56 -8.645 -9.763 0.667 1.00 0.00 O ATOM 889 CB LEU A 56 -7.554 -7.186 -0.897 1.00 0.00 C ATOM 890 CG LEU A 56 -8.410 -6.701 -2.072 1.00 0.00 C ATOM 891 CD1 LEU A 56 -9.602 -5.894 -1.575 1.00 0.00 C ATOM 892 CD2 LEU A 56 -7.570 -5.876 -3.037 1.00 0.00 C ATOM 0 H LEU A 56 -6.582 -8.302 -2.895 1.00 0.00 H new ATOM 0 HA LEU A 56 -6.404 -8.863 -0.198 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -8.083 -6.968 0.031 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -6.629 -6.610 -0.880 1.00 0.00 H new ATOM 0 HG LEU A 56 -8.789 -7.574 -2.603 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -10.196 -5.560 -2.426 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -10.217 -6.516 -0.925 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -9.247 -5.027 -1.017 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -8.193 -5.539 -3.866 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -7.161 -5.011 -2.515 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -6.753 -6.487 -3.422 1.00 0.00 H new ATOM 904 N SER A 57 -9.216 -9.931 -1.503 1.00 0.00 N ATOM 905 CA SER A 57 -10.412 -10.728 -1.235 1.00 0.00 C ATOM 906 C SER A 57 -10.065 -12.075 -0.596 1.00 0.00 C ATOM 907 O SER A 57 -10.769 -12.537 0.301 1.00 0.00 O ATOM 908 CB SER A 57 -11.205 -10.956 -2.524 1.00 0.00 C ATOM 909 OG SER A 57 -12.180 -11.969 -2.351 1.00 0.00 O ATOM 0 H SER A 57 -9.053 -9.734 -2.490 1.00 0.00 H new ATOM 0 HA SER A 57 -11.023 -10.166 -0.529 1.00 0.00 H new ATOM 0 HB2 SER A 57 -11.690 -10.028 -2.825 1.00 0.00 H new ATOM 0 HB3 SER A 57 -10.525 -11.235 -3.328 1.00 0.00 H new ATOM 0 HG SER A 57 -12.674 -12.094 -3.188 1.00 0.00 H new ATOM 915 N ASP A 58 -8.990 -12.712 -1.063 1.00 0.00 N ATOM 916 CA ASP A 58 -8.589 -14.013 -0.522 1.00 0.00 C ATOM 917 C ASP A 58 -8.209 -13.919 0.959 1.00 0.00 C ATOM 918 O ASP A 58 -8.368 -14.887 1.703 1.00 0.00 O ATOM 919 CB ASP A 58 -7.430 -14.611 -1.329 1.00 0.00 C ATOM 920 CG ASP A 58 -6.140 -13.831 -1.178 1.00 0.00 C ATOM 921 OD1 ASP A 58 -5.701 -13.622 -0.028 1.00 0.00 O ATOM 922 OD2 ASP A 58 -5.565 -13.431 -2.212 1.00 0.00 O ATOM 0 H ASP A 58 -8.388 -12.355 -1.805 1.00 0.00 H new ATOM 0 HA ASP A 58 -9.452 -14.674 -0.606 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -7.265 -15.640 -1.010 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -7.707 -14.644 -2.383 1.00 0.00 H new ATOM 927 N TYR A 59 -7.708 -12.760 1.389 1.00 0.00 N ATOM 928 CA TYR A 59 -7.317 -12.576 2.785 1.00 0.00 C ATOM 929 C TYR A 59 -8.417 -11.876 3.593 1.00 0.00 C ATOM 930 O TYR A 59 -8.198 -11.496 4.743 1.00 0.00 O ATOM 931 CB TYR A 59 -6.015 -11.777 2.870 1.00 0.00 C ATOM 932 CG TYR A 59 -4.878 -12.539 3.515 1.00 0.00 C ATOM 933 CD1 TYR A 59 -4.318 -13.647 2.893 1.00 0.00 C ATOM 934 CD2 TYR A 59 -4.366 -12.148 4.746 1.00 0.00 C ATOM 935 CE1 TYR A 59 -3.279 -14.345 3.481 1.00 0.00 C ATOM 936 CE2 TYR A 59 -3.327 -12.840 5.339 1.00 0.00 C ATOM 937 CZ TYR A 59 -2.788 -13.938 4.702 1.00 0.00 C ATOM 938 OH TYR A 59 -1.755 -14.630 5.289 1.00 0.00 O ATOM 0 H TYR A 59 -7.565 -11.942 0.796 1.00 0.00 H new ATOM 0 HA TYR A 59 -7.162 -13.564 3.217 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -5.716 -11.477 1.866 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -6.196 -10.863 3.436 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -4.700 -13.969 1.935 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -4.787 -11.289 5.248 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -2.854 -15.205 2.985 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -2.939 -12.523 6.296 1.00 0.00 H new ATOM 0 HH TYR A 59 -1.527 -14.213 6.146 1.00 0.00 H new ATOM 948 N ASN A 60 -9.601 -11.710 2.993 1.00 0.00 N ATOM 949 CA ASN A 60 -10.725 -11.061 3.666 1.00 0.00 C ATOM 950 C ASN A 60 -10.457 -9.579 3.968 1.00 0.00 C ATOM 951 O ASN A 60 -11.226 -8.953 4.698 1.00 0.00 O ATOM 952 CB ASN A 60 -11.056 -11.801 4.965 1.00 0.00 C ATOM 953 CG ASN A 60 -12.209 -12.774 4.799 1.00 0.00 C ATOM 954 OD1 ASN A 60 -12.316 -13.455 3.778 1.00 0.00 O ATOM 955 ND2 ASN A 60 -13.083 -12.847 5.800 1.00 0.00 N ATOM 0 H ASN A 60 -9.803 -12.017 2.042 1.00 0.00 H new ATOM 0 HA ASN A 60 -11.574 -11.105 2.984 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -10.174 -12.342 5.307 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -11.305 -11.076 5.740 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -13.877 -13.484 5.738 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -12.959 -12.266 6.629 1.00 0.00 H new ATOM 962 N ILE A 61 -9.389 -9.009 3.406 1.00 0.00 N ATOM 963 CA ILE A 61 -9.080 -7.601 3.634 1.00 0.00 C ATOM 964 C ILE A 61 -9.753 -6.723 2.579 1.00 0.00 C ATOM 965 O ILE A 61 -9.082 -6.055 1.794 1.00 0.00 O ATOM 966 CB ILE A 61 -7.559 -7.337 3.630 1.00 0.00 C ATOM 967 CG1 ILE A 61 -6.942 -7.756 2.293 1.00 0.00 C ATOM 968 CG2 ILE A 61 -6.892 -8.071 4.783 1.00 0.00 C ATOM 969 CD1 ILE A 61 -6.083 -6.683 1.662 1.00 0.00 C ATOM 0 H ILE A 61 -8.732 -9.496 2.797 1.00 0.00 H new ATOM 0 HA ILE A 61 -9.467 -7.346 4.620 1.00 0.00 H new ATOM 0 HB ILE A 61 -7.393 -6.268 3.760 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -6.338 -8.651 2.445 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -7.741 -8.024 1.601 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -5.820 -7.875 4.767 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -7.311 -7.722 5.727 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -7.067 -9.142 4.682 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -5.679 -7.049 0.718 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -6.687 -5.795 1.478 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -5.263 -6.431 2.335 1.00 0.00 H new ATOM 981 N GLN A 62 -11.087 -6.735 2.561 1.00 0.00 N ATOM 982 CA GLN A 62 -11.845 -5.946 1.593 1.00 0.00 C ATOM 983 C GLN A 62 -12.261 -4.599 2.186 1.00 0.00 C ATOM 984 O GLN A 62 -11.779 -4.208 3.249 1.00 0.00 O ATOM 985 CB GLN A 62 -13.080 -6.727 1.131 1.00 0.00 C ATOM 986 CG GLN A 62 -13.240 -6.771 -0.380 1.00 0.00 C ATOM 987 CD GLN A 62 -14.672 -7.047 -0.807 1.00 0.00 C ATOM 988 OE1 GLN A 62 -15.538 -6.177 -0.702 1.00 0.00 O ATOM 989 NE2 GLN A 62 -14.932 -8.258 -1.294 1.00 0.00 N ATOM 0 H GLN A 62 -11.661 -7.281 3.204 1.00 0.00 H new ATOM 0 HA GLN A 62 -11.203 -5.752 0.733 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -13.019 -7.747 1.512 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -13.970 -6.276 1.570 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -12.915 -5.821 -0.804 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -12.588 -7.543 -0.789 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -14.186 -8.950 -1.364 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -15.877 -8.494 -1.597 1.00 0.00 H new ATOM 998 N LYS A 63 -13.154 -3.889 1.485 1.00 0.00 N ATOM 999 CA LYS A 63 -13.633 -2.577 1.936 1.00 0.00 C ATOM 1000 C LYS A 63 -13.867 -2.552 3.448 1.00 0.00 C ATOM 1001 O LYS A 63 -14.158 -3.581 4.058 1.00 0.00 O ATOM 1002 CB LYS A 63 -14.928 -2.202 1.208 1.00 0.00 C ATOM 1003 CG LYS A 63 -15.021 -0.725 0.853 1.00 0.00 C ATOM 1004 CD LYS A 63 -16.139 -0.035 1.618 1.00 0.00 C ATOM 1005 CE LYS A 63 -17.504 -0.558 1.203 1.00 0.00 C ATOM 1006 NZ LYS A 63 -17.863 -0.140 -0.180 1.00 0.00 N ATOM 0 H LYS A 63 -13.559 -4.202 0.603 1.00 0.00 H new ATOM 0 HA LYS A 63 -12.859 -1.847 1.699 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -15.006 -2.792 0.295 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -15.778 -2.471 1.835 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -14.072 -0.236 1.075 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -15.192 -0.618 -0.218 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -15.999 -0.190 2.688 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -16.092 1.040 1.443 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -17.510 -1.646 1.266 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -18.259 -0.194 1.900 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -18.772 0.366 -0.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -17.124 0.488 -0.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -17.945 -0.981 -0.787 1.00 0.00 H new ATOM 1020 N GLU A 64 -13.735 -1.369 4.047 1.00 0.00 N ATOM 1021 CA GLU A 64 -13.928 -1.212 5.485 1.00 0.00 C ATOM 1022 C GLU A 64 -12.909 -2.036 6.278 1.00 0.00 C ATOM 1023 O GLU A 64 -13.160 -2.396 7.429 1.00 0.00 O ATOM 1024 CB GLU A 64 -15.348 -1.626 5.876 1.00 0.00 C ATOM 1025 CG GLU A 64 -15.955 -0.761 6.968 1.00 0.00 C ATOM 1026 CD GLU A 64 -16.788 0.378 6.414 1.00 0.00 C ATOM 1027 OE1 GLU A 64 -16.195 1.376 5.952 1.00 0.00 O ATOM 1028 OE2 GLU A 64 -18.032 0.274 6.443 1.00 0.00 O ATOM 0 H GLU A 64 -13.495 -0.507 3.558 1.00 0.00 H new ATOM 0 HA GLU A 64 -13.778 -0.160 5.728 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -15.986 -1.583 4.993 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -15.336 -2.663 6.210 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -16.577 -1.381 7.613 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -15.157 -0.354 7.589 1.00 0.00 H new ATOM 1035 N SER A 65 -11.762 -2.331 5.666 1.00 0.00 N ATOM 1036 CA SER A 65 -10.722 -3.108 6.335 1.00 0.00 C ATOM 1037 C SER A 65 -9.979 -2.256 7.360 1.00 0.00 C ATOM 1038 O SER A 65 -9.778 -1.059 7.155 1.00 0.00 O ATOM 1039 CB SER A 65 -9.731 -3.677 5.315 1.00 0.00 C ATOM 1040 OG SER A 65 -9.365 -2.697 4.357 1.00 0.00 O ATOM 0 H SER A 65 -11.532 -2.045 4.714 1.00 0.00 H new ATOM 0 HA SER A 65 -11.207 -3.934 6.855 1.00 0.00 H new ATOM 0 HB2 SER A 65 -8.840 -4.037 5.830 1.00 0.00 H new ATOM 0 HB3 SER A 65 -10.176 -4.535 4.811 1.00 0.00 H new ATOM 0 HG SER A 65 -9.980 -2.739 3.595 1.00 0.00 H new ATOM 1046 N THR A 66 -9.566 -2.878 8.464 1.00 0.00 N ATOM 1047 CA THR A 66 -8.841 -2.169 9.511 1.00 0.00 C ATOM 1048 C THR A 66 -7.355 -2.525 9.471 1.00 0.00 C ATOM 1049 O THR A 66 -6.834 -3.156 10.390 1.00 0.00 O ATOM 1050 CB THR A 66 -9.424 -2.507 10.884 1.00 0.00 C ATOM 1051 OG1 THR A 66 -10.839 -2.531 10.834 1.00 0.00 O ATOM 1052 CG2 THR A 66 -9.020 -1.526 11.963 1.00 0.00 C ATOM 0 H THR A 66 -9.722 -3.868 8.654 1.00 0.00 H new ATOM 0 HA THR A 66 -8.948 -1.098 9.337 1.00 0.00 H new ATOM 0 HB THR A 66 -9.020 -3.487 11.137 1.00 0.00 H new ATOM 0 HG1 THR A 66 -11.194 -2.751 11.721 1.00 0.00 H new ATOM 0 HG21 THR A 66 -9.467 -1.824 12.911 1.00 0.00 H new ATOM 0 HG22 THR A 66 -7.934 -1.519 12.060 1.00 0.00 H new ATOM 0 HG23 THR A 66 -9.367 -0.528 11.696 1.00 0.00 H new ATOM 1060 N LEU A 67 -6.678 -2.121 8.397 1.00 0.00 N ATOM 1061 CA LEU A 67 -5.256 -2.406 8.242 1.00 0.00 C ATOM 1062 C LEU A 67 -4.412 -1.160 8.504 1.00 0.00 C ATOM 1063 O LEU A 67 -4.814 -0.046 8.169 1.00 0.00 O ATOM 1064 CB LEU A 67 -4.974 -2.939 6.836 1.00 0.00 C ATOM 1065 CG LEU A 67 -5.103 -4.456 6.678 1.00 0.00 C ATOM 1066 CD1 LEU A 67 -5.918 -4.800 5.441 1.00 0.00 C ATOM 1067 CD2 LEU A 67 -3.728 -5.105 6.609 1.00 0.00 C ATOM 0 H LEU A 67 -7.091 -1.597 7.625 1.00 0.00 H new ATOM 0 HA LEU A 67 -4.983 -3.164 8.976 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -5.658 -2.457 6.138 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -3.965 -2.644 6.548 1.00 0.00 H new ATOM 0 HG LEU A 67 -5.625 -4.847 7.551 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -5.998 -5.883 5.347 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -6.915 -4.369 5.531 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -5.426 -4.395 4.557 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -3.840 -6.183 6.497 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -3.180 -4.706 5.755 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -3.178 -4.891 7.525 1.00 0.00 H new ATOM 1079 N HIS A 68 -3.237 -1.355 9.102 1.00 0.00 N ATOM 1080 CA HIS A 68 -2.339 -0.246 9.400 1.00 0.00 C ATOM 1081 C HIS A 68 -1.137 -0.255 8.458 1.00 0.00 C ATOM 1082 O HIS A 68 -0.610 -1.318 8.125 1.00 0.00 O ATOM 1083 CB HIS A 68 -1.865 -0.322 10.852 1.00 0.00 C ATOM 1084 CG HIS A 68 -2.949 -0.056 11.851 1.00 0.00 C ATOM 1085 ND1 HIS A 68 -2.704 0.449 13.111 1.00 0.00 N ATOM 1086 CD2 HIS A 68 -4.289 -0.228 11.771 1.00 0.00 C ATOM 1087 CE1 HIS A 68 -3.847 0.575 13.762 1.00 0.00 C ATOM 1088 NE2 HIS A 68 -4.823 0.172 12.971 1.00 0.00 N ATOM 0 H HIS A 68 -2.888 -2.270 9.388 1.00 0.00 H new ATOM 0 HA HIS A 68 -2.887 0.685 9.254 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -1.446 -1.311 11.037 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -1.060 0.398 11.001 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -4.836 -0.609 10.921 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -3.963 0.945 14.770 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -5.814 0.160 13.212 1.00 0.00 H new ATOM 1097 N LEU A 69 -0.707 0.929 8.027 1.00 0.00 N ATOM 1098 CA LEU A 69 0.430 1.041 7.121 1.00 0.00 C ATOM 1099 C LEU A 69 1.681 1.506 7.866 1.00 0.00 C ATOM 1100 O LEU A 69 1.593 2.020 8.982 1.00 0.00 O ATOM 1101 CB LEU A 69 0.106 2.010 5.981 1.00 0.00 C ATOM 1102 CG LEU A 69 -0.136 1.351 4.621 1.00 0.00 C ATOM 1103 CD1 LEU A 69 1.140 0.702 4.111 1.00 0.00 C ATOM 1104 CD2 LEU A 69 -1.260 0.326 4.716 1.00 0.00 C ATOM 0 H LEU A 69 -1.128 1.820 8.290 1.00 0.00 H new ATOM 0 HA LEU A 69 0.628 0.054 6.703 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -0.780 2.584 6.253 1.00 0.00 H new ATOM 0 HB3 LEU A 69 0.927 2.720 5.883 1.00 0.00 H new ATOM 0 HG LEU A 69 -0.436 2.122 3.912 1.00 0.00 H new ATOM 0 HD11 LEU A 69 0.950 0.238 3.143 1.00 0.00 H new ATOM 0 HD12 LEU A 69 1.916 1.460 4.004 1.00 0.00 H new ATOM 0 HD13 LEU A 69 1.470 -0.058 4.819 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -1.418 -0.132 3.740 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -0.990 -0.444 5.439 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -2.177 0.820 5.037 1.00 0.00 H new ATOM 1116 N VAL A 70 2.844 1.322 7.244 1.00 0.00 N ATOM 1117 CA VAL A 70 4.107 1.724 7.850 1.00 0.00 C ATOM 1118 C VAL A 70 4.652 2.992 7.192 1.00 0.00 C ATOM 1119 O VAL A 70 4.041 3.528 6.268 1.00 0.00 O ATOM 1120 CB VAL A 70 5.160 0.601 7.744 1.00 0.00 C ATOM 1121 CG1 VAL A 70 4.682 -0.648 8.469 1.00 0.00 C ATOM 1122 CG2 VAL A 70 5.470 0.291 6.287 1.00 0.00 C ATOM 0 H VAL A 70 2.936 0.897 6.321 1.00 0.00 H new ATOM 0 HA VAL A 70 3.909 1.925 8.903 1.00 0.00 H new ATOM 0 HB VAL A 70 6.078 0.945 8.221 1.00 0.00 H new ATOM 0 HG11 VAL A 70 5.437 -1.430 8.384 1.00 0.00 H new ATOM 0 HG12 VAL A 70 4.516 -0.417 9.521 1.00 0.00 H new ATOM 0 HG13 VAL A 70 3.750 -0.994 8.022 1.00 0.00 H new ATOM 0 HG21 VAL A 70 6.215 -0.503 6.234 1.00 0.00 H new ATOM 0 HG22 VAL A 70 4.559 -0.031 5.782 1.00 0.00 H new ATOM 0 HG23 VAL A 70 5.858 1.185 5.799 1.00 0.00 H new ATOM 1132 N LEU A 71 5.802 3.469 7.668 1.00 0.00 N ATOM 1133 CA LEU A 71 6.412 4.675 7.112 1.00 0.00 C ATOM 1134 C LEU A 71 7.092 4.370 5.778 1.00 0.00 C ATOM 1135 O LEU A 71 8.154 3.748 5.740 1.00 0.00 O ATOM 1136 CB LEU A 71 7.430 5.269 8.091 1.00 0.00 C ATOM 1137 CG LEU A 71 6.982 5.295 9.556 1.00 0.00 C ATOM 1138 CD1 LEU A 71 7.653 4.178 10.341 1.00 0.00 C ATOM 1139 CD2 LEU A 71 7.289 6.647 10.184 1.00 0.00 C ATOM 0 H LEU A 71 6.326 3.042 8.432 1.00 0.00 H new ATOM 0 HA LEU A 71 5.620 5.405 6.944 1.00 0.00 H new ATOM 0 HB2 LEU A 71 8.356 4.698 8.020 1.00 0.00 H new ATOM 0 HB3 LEU A 71 7.660 6.288 7.779 1.00 0.00 H new ATOM 0 HG LEU A 71 5.904 5.137 9.588 1.00 0.00 H new ATOM 0 HD11 LEU A 71 7.322 4.213 11.379 1.00 0.00 H new ATOM 0 HD12 LEU A 71 7.383 3.215 9.907 1.00 0.00 H new ATOM 0 HD13 LEU A 71 8.735 4.304 10.301 1.00 0.00 H new ATOM 0 HD21 LEU A 71 6.964 6.647 11.224 1.00 0.00 H new ATOM 0 HD22 LEU A 71 8.362 6.834 10.139 1.00 0.00 H new ATOM 0 HD23 LEU A 71 6.761 7.430 9.639 1.00 0.00 H new