USER MOD reduce.3.24.130724 H: found=0, std=0, add=438, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 439 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 49 ASN : amide:sc= -2.69! C(o=-4.9!,f=-6.9!) USER MOD Set 1.2: A 52 MET CE :methyl -153:sc= -2.21 (180deg=-2.93) USER MOD Set 2.1: A 24 ASN : amide:sc= -2.43! K(o=-2.4!,f=-1.4) USER MOD Set 2.2: A 26 SER OG : rot -111:sc= -0.0013 USER MOD Single : A 5 THR OG1 : rot -56:sc= -0.0557 USER MOD Single : A 8 GLN : amide:sc= -3.78! C(o=-3.8!,f=-2.3!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= -2.99! K(o=-3!,f=-1.3) USER MOD Single : A 28 SER OG : rot 180:sc= -1.33 USER MOD Single : A 29 SER OG : rot 180:sc= -0.181 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 91:sc= 0.435 USER MOD Single : A 44 SER OG : rot 31:sc= 0.908 USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 ASN : amide:sc= -8.38! C(o=-8.4!,f=-8.4!) USER MOD Single : A 61 HIS : no HD1:sc= -2.15! C(o=-2.2!,f=-3.3!) USER MOD Single : A 62 GLN : amide:sc= -0.566 K(o=-0.57,f=-3.8!) USER MOD Single : A 66 SER OG : rot 180:sc= 0.127 USER MOD Single : A 72 MET CE :methyl -109:sc= -0.46 (180deg=-2.75) USER MOD ----------------------------------------------------------------- ATOM 39 N LEU A 4 -16.024 -0.080 -18.704 1.00 0.00 N ATOM 40 CA LEU A 4 -15.087 0.000 -17.548 1.00 0.00 C ATOM 41 C LEU A 4 -15.815 -0.387 -16.252 1.00 0.00 C ATOM 42 O LEU A 4 -16.186 -1.529 -16.064 1.00 0.00 O ATOM 43 CB LEU A 4 -14.629 1.459 -17.514 1.00 0.00 C ATOM 44 CG LEU A 4 -14.059 1.847 -18.879 1.00 0.00 C ATOM 45 CD1 LEU A 4 -14.903 2.970 -19.484 1.00 0.00 C ATOM 46 CD2 LEU A 4 -12.617 2.327 -18.712 1.00 0.00 C ATOM 0 HA LEU A 4 -14.242 -0.682 -17.643 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -15.467 2.108 -17.260 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -13.874 1.596 -16.740 1.00 0.00 H new ATOM 0 HG LEU A 4 -14.079 0.981 -19.540 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -14.497 3.247 -20.457 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -15.931 2.628 -19.604 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -14.883 3.836 -18.823 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -12.211 2.604 -19.685 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -12.596 3.193 -18.051 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -12.015 1.527 -18.281 1.00 0.00 H new ATOM 58 N THR A 5 -16.025 0.543 -15.357 1.00 0.00 N ATOM 59 CA THR A 5 -16.733 0.205 -14.088 1.00 0.00 C ATOM 60 C THR A 5 -16.065 -0.999 -13.417 1.00 0.00 C ATOM 61 O THR A 5 -14.867 -1.180 -13.501 1.00 0.00 O ATOM 62 CB THR A 5 -18.169 -0.143 -14.500 1.00 0.00 C ATOM 63 OG1 THR A 5 -18.222 -1.496 -14.928 1.00 0.00 O ATOM 64 CG2 THR A 5 -18.624 0.773 -15.640 1.00 0.00 C ATOM 0 H THR A 5 -15.738 1.517 -15.450 1.00 0.00 H new ATOM 0 HA THR A 5 -16.706 1.029 -13.375 1.00 0.00 H new ATOM 0 HB THR A 5 -18.831 -0.002 -13.645 1.00 0.00 H new ATOM 0 HG1 THR A 5 -17.578 -1.635 -15.654 1.00 0.00 H new ATOM 0 HG21 THR A 5 -19.645 0.519 -15.926 1.00 0.00 H new ATOM 0 HG22 THR A 5 -18.588 1.811 -15.309 1.00 0.00 H new ATOM 0 HG23 THR A 5 -17.964 0.642 -16.497 1.00 0.00 H new ATOM 72 N GLU A 6 -16.832 -1.822 -12.755 1.00 0.00 N ATOM 73 CA GLU A 6 -16.241 -3.014 -12.081 1.00 0.00 C ATOM 74 C GLU A 6 -15.204 -3.673 -12.993 1.00 0.00 C ATOM 75 O GLU A 6 -14.202 -4.190 -12.543 1.00 0.00 O ATOM 76 CB GLU A 6 -17.423 -3.954 -11.840 1.00 0.00 C ATOM 77 CG GLU A 6 -17.836 -4.614 -13.158 1.00 0.00 C ATOM 78 CD GLU A 6 -18.996 -5.578 -12.905 1.00 0.00 C ATOM 79 OE1 GLU A 6 -19.777 -5.312 -12.008 1.00 0.00 O ATOM 80 OE2 GLU A 6 -19.082 -6.568 -13.613 1.00 0.00 O ATOM 0 H GLU A 6 -17.842 -1.721 -12.652 1.00 0.00 H new ATOM 0 HA GLU A 6 -15.729 -2.758 -11.153 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -17.150 -4.716 -11.110 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -18.262 -3.398 -11.422 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -18.132 -3.854 -13.880 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -16.991 -5.151 -13.589 1.00 0.00 H new ATOM 87 N GLU A 7 -15.440 -3.652 -14.276 1.00 0.00 N ATOM 88 CA GLU A 7 -14.469 -4.266 -15.223 1.00 0.00 C ATOM 89 C GLU A 7 -13.136 -3.526 -15.139 1.00 0.00 C ATOM 90 O GLU A 7 -12.086 -4.125 -15.003 1.00 0.00 O ATOM 91 CB GLU A 7 -15.096 -4.091 -16.606 1.00 0.00 C ATOM 92 CG GLU A 7 -14.883 -5.364 -17.429 1.00 0.00 C ATOM 93 CD GLU A 7 -16.143 -5.666 -18.241 1.00 0.00 C ATOM 94 OE1 GLU A 7 -17.224 -5.406 -17.738 1.00 0.00 O ATOM 95 OE2 GLU A 7 -16.007 -6.150 -19.352 1.00 0.00 O ATOM 0 H GLU A 7 -16.264 -3.236 -14.709 1.00 0.00 H new ATOM 0 HA GLU A 7 -14.273 -5.315 -15.001 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -16.161 -3.882 -16.510 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -14.648 -3.237 -17.115 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -14.030 -5.240 -18.096 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -14.653 -6.201 -16.770 1.00 0.00 H new ATOM 102 N GLN A 8 -13.169 -2.223 -15.199 1.00 0.00 N ATOM 103 CA GLN A 8 -11.901 -1.448 -15.105 1.00 0.00 C ATOM 104 C GLN A 8 -11.369 -1.536 -13.671 1.00 0.00 C ATOM 105 O GLN A 8 -10.201 -1.776 -13.444 1.00 0.00 O ATOM 106 CB GLN A 8 -12.275 -0.007 -15.495 1.00 0.00 C ATOM 107 CG GLN A 8 -12.637 0.819 -14.254 1.00 0.00 C ATOM 108 CD GLN A 8 -12.910 2.267 -14.665 1.00 0.00 C ATOM 109 OE1 GLN A 8 -13.815 2.896 -14.151 1.00 0.00 O ATOM 110 NE2 GLN A 8 -12.163 2.828 -15.576 1.00 0.00 N ATOM 0 H GLN A 8 -14.015 -1.664 -15.309 1.00 0.00 H new ATOM 0 HA GLN A 8 -11.114 -1.826 -15.758 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -11.441 0.461 -16.018 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -13.117 -0.020 -16.187 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -13.516 0.396 -13.767 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -11.823 0.783 -13.530 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -11.404 2.302 -16.008 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -12.338 3.793 -15.856 1.00 0.00 H new ATOM 119 N ILE A 9 -12.230 -1.363 -12.706 1.00 0.00 N ATOM 120 CA ILE A 9 -11.789 -1.453 -11.289 1.00 0.00 C ATOM 121 C ILE A 9 -11.086 -2.788 -11.055 1.00 0.00 C ATOM 122 O ILE A 9 -9.914 -2.836 -10.750 1.00 0.00 O ATOM 123 CB ILE A 9 -13.074 -1.385 -10.469 1.00 0.00 C ATOM 124 CG1 ILE A 9 -13.773 -0.048 -10.721 1.00 0.00 C ATOM 125 CG2 ILE A 9 -12.735 -1.514 -8.984 1.00 0.00 C ATOM 126 CD1 ILE A 9 -15.266 -0.194 -10.429 1.00 0.00 C ATOM 0 H ILE A 9 -13.221 -1.163 -12.840 1.00 0.00 H new ATOM 0 HA ILE A 9 -11.091 -0.661 -11.019 1.00 0.00 H new ATOM 0 HB ILE A 9 -13.737 -2.199 -10.763 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -13.341 0.726 -10.087 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -13.622 0.265 -11.754 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -13.652 -1.466 -8.396 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -12.239 -2.468 -8.806 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -12.072 -0.700 -8.690 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -15.766 0.758 -10.608 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -15.692 -0.956 -11.082 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -15.406 -0.488 -9.389 1.00 0.00 H new ATOM 138 N ALA A 10 -11.795 -3.875 -11.203 1.00 0.00 N ATOM 139 CA ALA A 10 -11.159 -5.207 -10.994 1.00 0.00 C ATOM 140 C ALA A 10 -9.780 -5.231 -11.657 1.00 0.00 C ATOM 141 O ALA A 10 -8.795 -5.628 -11.060 1.00 0.00 O ATOM 142 CB ALA A 10 -12.098 -6.208 -11.669 1.00 0.00 C ATOM 0 H ALA A 10 -12.782 -3.898 -11.458 1.00 0.00 H new ATOM 0 HA ALA A 10 -11.014 -5.439 -9.939 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -11.697 -7.215 -11.558 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -13.082 -6.156 -11.203 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -12.186 -5.967 -12.728 1.00 0.00 H new ATOM 148 N GLU A 11 -9.702 -4.795 -12.884 1.00 0.00 N ATOM 149 CA GLU A 11 -8.387 -4.780 -13.586 1.00 0.00 C ATOM 150 C GLU A 11 -7.410 -3.884 -12.823 1.00 0.00 C ATOM 151 O GLU A 11 -6.272 -4.243 -12.591 1.00 0.00 O ATOM 152 CB GLU A 11 -8.681 -4.199 -14.969 1.00 0.00 C ATOM 153 CG GLU A 11 -7.366 -3.824 -15.656 1.00 0.00 C ATOM 154 CD GLU A 11 -7.028 -2.365 -15.346 1.00 0.00 C ATOM 155 OE1 GLU A 11 -7.892 -1.671 -14.836 1.00 0.00 O ATOM 156 OE2 GLU A 11 -5.909 -1.965 -15.624 1.00 0.00 O ATOM 0 H GLU A 11 -10.491 -4.449 -13.431 1.00 0.00 H new ATOM 0 HA GLU A 11 -7.936 -5.770 -13.653 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -9.224 -4.926 -15.572 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -9.319 -3.320 -14.878 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -6.564 -4.476 -15.310 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -7.452 -3.968 -16.733 1.00 0.00 H new ATOM 163 N PHE A 12 -7.851 -2.724 -12.420 1.00 0.00 N ATOM 164 CA PHE A 12 -6.955 -1.809 -11.662 1.00 0.00 C ATOM 165 C PHE A 12 -6.530 -2.476 -10.354 1.00 0.00 C ATOM 166 O PHE A 12 -5.362 -2.520 -10.021 1.00 0.00 O ATOM 167 CB PHE A 12 -7.802 -0.566 -11.385 1.00 0.00 C ATOM 168 CG PHE A 12 -8.000 0.204 -12.670 1.00 0.00 C ATOM 169 CD1 PHE A 12 -6.895 0.533 -13.463 1.00 0.00 C ATOM 170 CD2 PHE A 12 -9.286 0.591 -13.068 1.00 0.00 C ATOM 171 CE1 PHE A 12 -7.075 1.247 -14.654 1.00 0.00 C ATOM 172 CE2 PHE A 12 -9.465 1.306 -14.257 1.00 0.00 C ATOM 173 CZ PHE A 12 -8.360 1.634 -15.051 1.00 0.00 C ATOM 0 H PHE A 12 -8.794 -2.371 -12.584 1.00 0.00 H new ATOM 0 HA PHE A 12 -6.045 -1.562 -12.209 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -8.767 -0.856 -10.969 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -7.311 0.064 -10.643 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -5.903 0.236 -13.156 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -10.140 0.337 -12.457 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -6.222 1.499 -15.266 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -10.457 1.605 -14.563 1.00 0.00 H new ATOM 0 HZ PHE A 12 -8.499 2.185 -15.969 1.00 0.00 H new ATOM 183 N LYS A 13 -7.472 -2.999 -9.615 1.00 0.00 N ATOM 184 CA LYS A 13 -7.132 -3.673 -8.330 1.00 0.00 C ATOM 185 C LYS A 13 -5.870 -4.513 -8.514 1.00 0.00 C ATOM 186 O LYS A 13 -4.893 -4.345 -7.810 1.00 0.00 O ATOM 187 CB LYS A 13 -8.334 -4.568 -8.021 1.00 0.00 C ATOM 188 CG LYS A 13 -9.292 -3.830 -7.084 1.00 0.00 C ATOM 189 CD LYS A 13 -10.155 -4.847 -6.334 1.00 0.00 C ATOM 190 CE LYS A 13 -9.252 -5.843 -5.602 1.00 0.00 C ATOM 191 NZ LYS A 13 -10.127 -6.472 -4.575 1.00 0.00 N ATOM 0 H LYS A 13 -8.465 -2.988 -9.848 1.00 0.00 H new ATOM 0 HA LYS A 13 -6.938 -2.967 -7.523 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -8.847 -4.838 -8.944 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -8.000 -5.497 -7.559 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -8.729 -3.222 -6.376 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -9.925 -3.150 -7.655 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -10.802 -4.335 -5.622 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -10.804 -5.374 -7.033 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -8.849 -6.588 -6.288 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -8.401 -5.340 -5.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -9.579 -7.168 -4.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -10.490 -5.739 -3.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -10.924 -6.949 -5.043 1.00 0.00 H new ATOM 205 N GLU A 14 -5.874 -5.405 -9.466 1.00 0.00 N ATOM 206 CA GLU A 14 -4.660 -6.235 -9.701 1.00 0.00 C ATOM 207 C GLU A 14 -3.456 -5.314 -9.905 1.00 0.00 C ATOM 208 O GLU A 14 -2.396 -5.517 -9.343 1.00 0.00 O ATOM 209 CB GLU A 14 -4.957 -7.029 -10.974 1.00 0.00 C ATOM 210 CG GLU A 14 -4.413 -8.451 -10.828 1.00 0.00 C ATOM 211 CD GLU A 14 -4.054 -9.004 -12.209 1.00 0.00 C ATOM 212 OE1 GLU A 14 -3.848 -8.208 -13.109 1.00 0.00 O ATOM 213 OE2 GLU A 14 -3.992 -10.215 -12.341 1.00 0.00 O ATOM 0 H GLU A 14 -6.660 -5.594 -10.088 1.00 0.00 H new ATOM 0 HA GLU A 14 -4.430 -6.897 -8.866 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -6.031 -7.056 -11.156 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -4.500 -6.540 -11.835 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -3.533 -8.451 -10.185 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -5.157 -9.089 -10.351 1.00 0.00 H new ATOM 220 N ALA A 15 -3.619 -4.290 -10.700 1.00 0.00 N ATOM 221 CA ALA A 15 -2.495 -3.342 -10.934 1.00 0.00 C ATOM 222 C ALA A 15 -2.128 -2.643 -9.623 1.00 0.00 C ATOM 223 O ALA A 15 -0.973 -2.557 -9.257 1.00 0.00 O ATOM 224 CB ALA A 15 -3.030 -2.333 -11.951 1.00 0.00 C ATOM 0 H ALA A 15 -4.482 -4.071 -11.197 1.00 0.00 H new ATOM 0 HA ALA A 15 -1.596 -3.841 -11.296 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -2.257 -1.598 -12.176 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -3.313 -2.854 -12.866 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -3.902 -1.827 -11.537 1.00 0.00 H new ATOM 230 N PHE A 16 -3.104 -2.151 -8.908 1.00 0.00 N ATOM 231 CA PHE A 16 -2.805 -1.470 -7.617 1.00 0.00 C ATOM 232 C PHE A 16 -1.830 -2.320 -6.804 1.00 0.00 C ATOM 233 O PHE A 16 -0.735 -1.898 -6.487 1.00 0.00 O ATOM 234 CB PHE A 16 -4.148 -1.360 -6.895 1.00 0.00 C ATOM 235 CG PHE A 16 -3.908 -0.977 -5.454 1.00 0.00 C ATOM 236 CD1 PHE A 16 -3.585 0.346 -5.125 1.00 0.00 C ATOM 237 CD2 PHE A 16 -4.004 -1.944 -4.447 1.00 0.00 C ATOM 238 CE1 PHE A 16 -3.359 0.700 -3.789 1.00 0.00 C ATOM 239 CE2 PHE A 16 -3.777 -1.589 -3.111 1.00 0.00 C ATOM 240 CZ PHE A 16 -3.455 -0.267 -2.783 1.00 0.00 C ATOM 0 H PHE A 16 -4.091 -2.191 -9.161 1.00 0.00 H new ATOM 0 HA PHE A 16 -2.347 -0.491 -7.760 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -4.776 -0.614 -7.382 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -4.681 -2.309 -6.947 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -3.510 1.093 -5.902 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -4.253 -2.964 -4.700 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -3.111 1.720 -3.535 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -3.850 -2.336 -2.334 1.00 0.00 H new ATOM 0 HZ PHE A 16 -3.281 0.007 -1.753 1.00 0.00 H new ATOM 250 N ALA A 17 -2.216 -3.522 -6.471 1.00 0.00 N ATOM 251 CA ALA A 17 -1.305 -4.403 -5.688 1.00 0.00 C ATOM 252 C ALA A 17 0.099 -4.351 -6.291 1.00 0.00 C ATOM 253 O ALA A 17 1.078 -4.172 -5.594 1.00 0.00 O ATOM 254 CB ALA A 17 -1.897 -5.806 -5.818 1.00 0.00 C ATOM 0 H ALA A 17 -3.120 -3.931 -6.707 1.00 0.00 H new ATOM 0 HA ALA A 17 -1.221 -4.099 -4.645 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -1.279 -6.514 -5.266 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -2.908 -5.813 -5.412 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -1.926 -6.093 -6.869 1.00 0.00 H new ATOM 260 N LEU A 18 0.203 -4.497 -7.584 1.00 0.00 N ATOM 261 CA LEU A 18 1.545 -4.444 -8.229 1.00 0.00 C ATOM 262 C LEU A 18 2.313 -3.220 -7.726 1.00 0.00 C ATOM 263 O LEU A 18 3.498 -3.280 -7.467 1.00 0.00 O ATOM 264 CB LEU A 18 1.262 -4.324 -9.727 1.00 0.00 C ATOM 265 CG LEU A 18 2.076 -5.373 -10.487 1.00 0.00 C ATOM 266 CD1 LEU A 18 1.142 -6.198 -11.375 1.00 0.00 C ATOM 267 CD2 LEU A 18 3.121 -4.674 -11.359 1.00 0.00 C ATOM 0 H LEU A 18 -0.580 -4.650 -8.219 1.00 0.00 H new ATOM 0 HA LEU A 18 2.152 -5.320 -8.002 1.00 0.00 H new ATOM 0 HB2 LEU A 18 0.198 -4.465 -9.919 1.00 0.00 H new ATOM 0 HB3 LEU A 18 1.520 -3.325 -10.077 1.00 0.00 H new ATOM 0 HG LEU A 18 2.576 -6.030 -9.775 1.00 0.00 H new ATOM 0 HD11 LEU A 18 1.721 -6.946 -11.917 1.00 0.00 H new ATOM 0 HD12 LEU A 18 0.396 -6.696 -10.755 1.00 0.00 H new ATOM 0 HD13 LEU A 18 0.642 -5.541 -12.087 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.701 -5.421 -11.901 1.00 0.00 H new ATOM 0 HD22 LEU A 18 2.621 -4.017 -12.071 1.00 0.00 H new ATOM 0 HD23 LEU A 18 3.787 -4.085 -10.728 1.00 0.00 H new ATOM 279 N PHE A 19 1.642 -2.110 -7.577 1.00 0.00 N ATOM 280 CA PHE A 19 2.328 -0.882 -7.082 1.00 0.00 C ATOM 281 C PHE A 19 2.563 -0.989 -5.573 1.00 0.00 C ATOM 282 O PHE A 19 3.584 -0.575 -5.063 1.00 0.00 O ATOM 283 CB PHE A 19 1.365 0.267 -7.393 1.00 0.00 C ATOM 284 CG PHE A 19 1.097 0.326 -8.880 1.00 0.00 C ATOM 285 CD1 PHE A 19 2.036 -0.183 -9.786 1.00 0.00 C ATOM 286 CD2 PHE A 19 -0.092 0.895 -9.353 1.00 0.00 C ATOM 287 CE1 PHE A 19 1.785 -0.124 -11.162 1.00 0.00 C ATOM 288 CE2 PHE A 19 -0.342 0.954 -10.729 1.00 0.00 C ATOM 289 CZ PHE A 19 0.597 0.445 -11.633 1.00 0.00 C ATOM 0 H PHE A 19 0.648 -2.000 -7.777 1.00 0.00 H new ATOM 0 HA PHE A 19 3.301 -0.733 -7.551 1.00 0.00 H new ATOM 0 HB2 PHE A 19 0.430 0.126 -6.851 1.00 0.00 H new ATOM 0 HB3 PHE A 19 1.790 1.211 -7.054 1.00 0.00 H new ATOM 0 HD1 PHE A 19 2.954 -0.621 -9.423 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -0.817 1.289 -8.656 1.00 0.00 H new ATOM 0 HE1 PHE A 19 2.509 -0.518 -11.860 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -1.260 1.392 -11.093 1.00 0.00 H new ATOM 0 HZ PHE A 19 0.405 0.491 -12.695 1.00 0.00 H new ATOM 299 N ASP A 20 1.624 -1.547 -4.859 1.00 0.00 N ATOM 300 CA ASP A 20 1.792 -1.687 -3.384 1.00 0.00 C ATOM 301 C ASP A 20 2.855 -2.745 -3.079 1.00 0.00 C ATOM 302 O ASP A 20 3.381 -2.814 -1.985 1.00 0.00 O ATOM 303 CB ASP A 20 0.422 -2.131 -2.871 1.00 0.00 C ATOM 304 CG ASP A 20 0.478 -2.305 -1.352 1.00 0.00 C ATOM 305 OD1 ASP A 20 1.514 -2.010 -0.780 1.00 0.00 O ATOM 306 OD2 ASP A 20 -0.517 -2.728 -0.787 1.00 0.00 O ATOM 0 H ASP A 20 0.748 -1.912 -5.233 1.00 0.00 H new ATOM 0 HA ASP A 20 2.120 -0.762 -2.910 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -0.334 -1.392 -3.135 1.00 0.00 H new ATOM 0 HB3 ASP A 20 0.131 -3.069 -3.345 1.00 0.00 H new ATOM 311 N LYS A 21 3.177 -3.562 -4.045 1.00 0.00 N ATOM 312 CA LYS A 21 4.214 -4.618 -3.835 1.00 0.00 C ATOM 313 C LYS A 21 3.757 -5.632 -2.779 1.00 0.00 C ATOM 314 O LYS A 21 3.622 -6.807 -3.056 1.00 0.00 O ATOM 315 CB LYS A 21 5.459 -3.868 -3.358 1.00 0.00 C ATOM 316 CG LYS A 21 6.464 -3.775 -4.508 1.00 0.00 C ATOM 317 CD LYS A 21 7.252 -5.082 -4.606 1.00 0.00 C ATOM 318 CE LYS A 21 8.211 -5.192 -3.417 1.00 0.00 C ATOM 319 NZ LYS A 21 8.553 -6.639 -3.332 1.00 0.00 N ATOM 0 H LYS A 21 2.764 -3.545 -4.978 1.00 0.00 H new ATOM 0 HA LYS A 21 4.402 -5.186 -4.746 1.00 0.00 H new ATOM 0 HB2 LYS A 21 5.187 -2.870 -3.015 1.00 0.00 H new ATOM 0 HB3 LYS A 21 5.907 -4.385 -2.509 1.00 0.00 H new ATOM 0 HG2 LYS A 21 5.943 -3.582 -5.445 1.00 0.00 H new ATOM 0 HG3 LYS A 21 7.144 -2.940 -4.343 1.00 0.00 H new ATOM 0 HD2 LYS A 21 6.569 -5.931 -4.615 1.00 0.00 H new ATOM 0 HD3 LYS A 21 7.811 -5.113 -5.541 1.00 0.00 H new ATOM 0 HE2 LYS A 21 9.102 -4.584 -3.571 1.00 0.00 H new ATOM 0 HE3 LYS A 21 7.742 -4.842 -2.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 9.208 -6.795 -2.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 7.686 -7.192 -3.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 9.004 -6.942 -4.219 1.00 0.00 H new ATOM 333 N ASP A 22 3.527 -5.194 -1.572 1.00 0.00 N ATOM 334 CA ASP A 22 3.090 -6.147 -0.508 1.00 0.00 C ATOM 335 C ASP A 22 1.563 -6.247 -0.466 1.00 0.00 C ATOM 336 O ASP A 22 0.991 -6.728 0.493 1.00 0.00 O ATOM 337 CB ASP A 22 3.632 -5.571 0.805 1.00 0.00 C ATOM 338 CG ASP A 22 3.287 -4.084 0.910 1.00 0.00 C ATOM 339 OD1 ASP A 22 2.148 -3.739 0.645 1.00 0.00 O ATOM 340 OD2 ASP A 22 4.170 -3.315 1.253 1.00 0.00 O ATOM 0 H ASP A 22 3.622 -4.223 -1.275 1.00 0.00 H new ATOM 0 HA ASP A 22 3.463 -7.155 -0.690 1.00 0.00 H new ATOM 0 HB2 ASP A 22 3.207 -6.111 1.651 1.00 0.00 H new ATOM 0 HB3 ASP A 22 4.713 -5.706 0.851 1.00 0.00 H new ATOM 345 N ASN A 23 0.898 -5.802 -1.501 1.00 0.00 N ATOM 346 CA ASN A 23 -0.595 -5.876 -1.527 1.00 0.00 C ATOM 347 C ASN A 23 -1.166 -5.531 -0.150 1.00 0.00 C ATOM 348 O ASN A 23 -2.227 -5.989 0.226 1.00 0.00 O ATOM 349 CB ASN A 23 -0.926 -7.325 -1.885 1.00 0.00 C ATOM 350 CG ASN A 23 0.033 -7.827 -2.968 1.00 0.00 C ATOM 351 OD1 ASN A 23 0.461 -8.964 -2.937 1.00 0.00 O ATOM 352 ND2 ASN A 23 0.390 -7.022 -3.930 1.00 0.00 N ATOM 0 H ASN A 23 1.325 -5.390 -2.331 1.00 0.00 H new ATOM 0 HA ASN A 23 -1.023 -5.172 -2.241 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -0.849 -7.954 -0.998 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -1.955 -7.396 -2.237 1.00 0.00 H new ATOM 0 HD21 ASN A 23 1.028 -7.347 -4.656 1.00 0.00 H new ATOM 0 HD22 ASN A 23 0.031 -6.068 -3.956 1.00 0.00 H new ATOM 359 N ASN A 24 -0.472 -4.724 0.600 1.00 0.00 N ATOM 360 CA ASN A 24 -0.968 -4.342 1.953 1.00 0.00 C ATOM 361 C ASN A 24 -2.173 -3.404 1.828 1.00 0.00 C ATOM 362 O ASN A 24 -2.749 -2.984 2.813 1.00 0.00 O ATOM 363 CB ASN A 24 0.212 -3.622 2.602 1.00 0.00 C ATOM 364 CG ASN A 24 -0.273 -2.808 3.799 1.00 0.00 C ATOM 365 OD1 ASN A 24 0.150 -1.686 3.996 1.00 0.00 O ATOM 366 ND2 ASN A 24 -1.150 -3.330 4.612 1.00 0.00 N ATOM 0 H ASN A 24 0.422 -4.310 0.335 1.00 0.00 H new ATOM 0 HA ASN A 24 -1.299 -5.200 2.538 1.00 0.00 H new ATOM 0 HB2 ASN A 24 0.960 -4.347 2.923 1.00 0.00 H new ATOM 0 HB3 ASN A 24 0.694 -2.967 1.876 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -1.482 -2.796 5.415 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -1.503 -4.272 4.444 1.00 0.00 H new ATOM 373 N GLY A 25 -2.558 -3.072 0.627 1.00 0.00 N ATOM 374 CA GLY A 25 -3.723 -2.160 0.445 1.00 0.00 C ATOM 375 C GLY A 25 -3.246 -0.710 0.500 1.00 0.00 C ATOM 376 O GLY A 25 -4.023 0.204 0.684 1.00 0.00 O ATOM 0 H GLY A 25 -2.117 -3.392 -0.235 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -4.209 -2.359 -0.510 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -4.465 -2.340 1.223 1.00 0.00 H new ATOM 380 N SER A 26 -1.969 -0.492 0.342 1.00 0.00 N ATOM 381 CA SER A 26 -1.439 0.900 0.385 1.00 0.00 C ATOM 382 C SER A 26 -0.130 0.987 -0.400 1.00 0.00 C ATOM 383 O SER A 26 0.726 0.130 -0.296 1.00 0.00 O ATOM 384 CB SER A 26 -1.201 1.189 1.866 1.00 0.00 C ATOM 385 OG SER A 26 0.188 1.081 2.149 1.00 0.00 O ATOM 0 H SER A 26 -1.270 -1.218 0.185 1.00 0.00 H new ATOM 0 HA SER A 26 -2.125 1.619 -0.062 1.00 0.00 H new ATOM 0 HB2 SER A 26 -1.558 2.188 2.115 1.00 0.00 H new ATOM 0 HB3 SER A 26 -1.765 0.487 2.480 1.00 0.00 H new ATOM 0 HG SER A 26 0.346 0.299 2.718 1.00 0.00 H new ATOM 391 N ILE A 27 0.033 2.012 -1.190 1.00 0.00 N ATOM 392 CA ILE A 27 1.285 2.148 -1.988 1.00 0.00 C ATOM 393 C ILE A 27 2.121 3.324 -1.469 1.00 0.00 C ATOM 394 O ILE A 27 1.633 4.425 -1.313 1.00 0.00 O ATOM 395 CB ILE A 27 0.806 2.400 -3.421 1.00 0.00 C ATOM 396 CG1 ILE A 27 0.538 1.061 -4.107 1.00 0.00 C ATOM 397 CG2 ILE A 27 1.868 3.166 -4.214 1.00 0.00 C ATOM 398 CD1 ILE A 27 -0.794 1.134 -4.852 1.00 0.00 C ATOM 0 H ILE A 27 -0.647 2.762 -1.318 1.00 0.00 H new ATOM 0 HA ILE A 27 1.922 1.266 -1.923 1.00 0.00 H new ATOM 0 HB ILE A 27 -0.107 2.994 -3.386 1.00 0.00 H new ATOM 0 HG12 ILE A 27 1.344 0.827 -4.802 1.00 0.00 H new ATOM 0 HG13 ILE A 27 0.512 0.260 -3.369 1.00 0.00 H new ATOM 0 HG21 ILE A 27 1.511 3.336 -5.230 1.00 0.00 H new ATOM 0 HG22 ILE A 27 2.061 4.124 -3.732 1.00 0.00 H new ATOM 0 HG23 ILE A 27 2.789 2.584 -4.246 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -0.989 0.181 -5.343 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -1.595 1.349 -4.145 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -0.749 1.925 -5.601 1.00 0.00 H new ATOM 410 N SER A 28 3.379 3.096 -1.210 1.00 0.00 N ATOM 411 CA SER A 28 4.251 4.196 -0.711 1.00 0.00 C ATOM 412 C SER A 28 5.287 4.566 -1.776 1.00 0.00 C ATOM 413 O SER A 28 5.168 4.192 -2.926 1.00 0.00 O ATOM 414 CB SER A 28 4.937 3.627 0.530 1.00 0.00 C ATOM 415 OG SER A 28 6.235 3.166 0.180 1.00 0.00 O ATOM 0 H SER A 28 3.841 2.194 -1.323 1.00 0.00 H new ATOM 0 HA SER A 28 3.688 5.101 -0.484 1.00 0.00 H new ATOM 0 HB2 SER A 28 5.007 4.392 1.304 1.00 0.00 H new ATOM 0 HB3 SER A 28 4.347 2.809 0.943 1.00 0.00 H new ATOM 0 HG SER A 28 6.678 2.802 0.975 1.00 0.00 H new ATOM 421 N SER A 29 6.301 5.298 -1.405 1.00 0.00 N ATOM 422 CA SER A 29 7.341 5.690 -2.399 1.00 0.00 C ATOM 423 C SER A 29 8.167 4.468 -2.812 1.00 0.00 C ATOM 424 O SER A 29 8.535 4.315 -3.960 1.00 0.00 O ATOM 425 CB SER A 29 8.218 6.709 -1.674 1.00 0.00 C ATOM 426 OG SER A 29 9.242 6.025 -0.963 1.00 0.00 O ATOM 0 H SER A 29 6.455 5.642 -0.457 1.00 0.00 H new ATOM 0 HA SER A 29 6.906 6.101 -3.310 1.00 0.00 H new ATOM 0 HB2 SER A 29 8.658 7.403 -2.390 1.00 0.00 H new ATOM 0 HB3 SER A 29 7.615 7.301 -0.986 1.00 0.00 H new ATOM 0 HG SER A 29 9.808 6.676 -0.498 1.00 0.00 H new ATOM 432 N SER A 30 8.462 3.598 -1.884 1.00 0.00 N ATOM 433 CA SER A 30 9.266 2.388 -2.224 1.00 0.00 C ATOM 434 C SER A 30 8.402 1.368 -2.971 1.00 0.00 C ATOM 435 O SER A 30 8.866 0.678 -3.857 1.00 0.00 O ATOM 436 CB SER A 30 9.717 1.824 -0.878 1.00 0.00 C ATOM 437 OG SER A 30 10.482 0.646 -1.097 1.00 0.00 O ATOM 0 H SER A 30 8.182 3.672 -0.906 1.00 0.00 H new ATOM 0 HA SER A 30 10.110 2.622 -2.873 1.00 0.00 H new ATOM 0 HB2 SER A 30 10.311 2.563 -0.341 1.00 0.00 H new ATOM 0 HB3 SER A 30 8.851 1.599 -0.256 1.00 0.00 H new ATOM 0 HG SER A 30 10.775 0.281 -0.236 1.00 0.00 H new ATOM 443 N GLU A 31 7.149 1.266 -2.621 1.00 0.00 N ATOM 444 CA GLU A 31 6.260 0.288 -3.313 1.00 0.00 C ATOM 445 C GLU A 31 6.096 0.668 -4.787 1.00 0.00 C ATOM 446 O GLU A 31 6.516 -0.051 -5.672 1.00 0.00 O ATOM 447 CB GLU A 31 4.919 0.383 -2.583 1.00 0.00 C ATOM 448 CG GLU A 31 5.157 0.347 -1.072 1.00 0.00 C ATOM 449 CD GLU A 31 3.920 -0.217 -0.373 1.00 0.00 C ATOM 450 OE1 GLU A 31 3.037 0.561 -0.054 1.00 0.00 O ATOM 451 OE2 GLU A 31 3.876 -1.419 -0.169 1.00 0.00 O ATOM 0 H GLU A 31 6.702 1.816 -1.887 1.00 0.00 H new ATOM 0 HA GLU A 31 6.666 -0.723 -3.290 1.00 0.00 H new ATOM 0 HB2 GLU A 31 4.407 1.305 -2.859 1.00 0.00 H new ATOM 0 HB3 GLU A 31 4.272 -0.442 -2.880 1.00 0.00 H new ATOM 0 HG2 GLU A 31 6.028 -0.268 -0.845 1.00 0.00 H new ATOM 0 HG3 GLU A 31 5.370 1.350 -0.703 1.00 0.00 H new ATOM 458 N LEU A 32 5.491 1.791 -5.059 1.00 0.00 N ATOM 459 CA LEU A 32 5.304 2.211 -6.478 1.00 0.00 C ATOM 460 C LEU A 32 6.653 2.236 -7.202 1.00 0.00 C ATOM 461 O LEU A 32 6.774 1.785 -8.323 1.00 0.00 O ATOM 462 CB LEU A 32 4.707 3.616 -6.403 1.00 0.00 C ATOM 463 CG LEU A 32 3.290 3.599 -6.981 1.00 0.00 C ATOM 464 CD1 LEU A 32 2.640 4.968 -6.779 1.00 0.00 C ATOM 465 CD2 LEU A 32 3.355 3.282 -8.477 1.00 0.00 C ATOM 0 H LEU A 32 5.118 2.436 -4.362 1.00 0.00 H new ATOM 0 HA LEU A 32 4.660 1.527 -7.030 1.00 0.00 H new ATOM 0 HB2 LEU A 32 4.685 3.959 -5.369 1.00 0.00 H new ATOM 0 HB3 LEU A 32 5.330 4.318 -6.958 1.00 0.00 H new ATOM 0 HG LEU A 32 2.699 2.838 -6.472 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.631 4.956 -7.191 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.595 5.196 -5.714 1.00 0.00 H new ATOM 0 HD13 LEU A 32 3.230 5.730 -7.288 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.347 3.269 -8.890 1.00 0.00 H new ATOM 0 HD22 LEU A 32 3.946 4.044 -8.985 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.819 2.306 -8.622 1.00 0.00 H new ATOM 477 N ALA A 33 7.667 2.760 -6.569 1.00 0.00 N ATOM 478 CA ALA A 33 9.006 2.810 -7.222 1.00 0.00 C ATOM 479 C ALA A 33 9.444 1.402 -7.632 1.00 0.00 C ATOM 480 O ALA A 33 10.153 1.218 -8.602 1.00 0.00 O ATOM 481 CB ALA A 33 9.946 3.376 -6.157 1.00 0.00 C ATOM 0 H ALA A 33 7.626 3.155 -5.629 1.00 0.00 H new ATOM 0 HA ALA A 33 9.003 3.419 -8.126 1.00 0.00 H new ATOM 0 HB1 ALA A 33 10.956 3.444 -6.562 1.00 0.00 H new ATOM 0 HB2 ALA A 33 9.606 4.369 -5.862 1.00 0.00 H new ATOM 0 HB3 ALA A 33 9.948 2.719 -5.287 1.00 0.00 H new ATOM 487 N THR A 34 9.028 0.405 -6.900 1.00 0.00 N ATOM 488 CA THR A 34 9.419 -0.992 -7.247 1.00 0.00 C ATOM 489 C THR A 34 8.929 -1.344 -8.655 1.00 0.00 C ATOM 490 O THR A 34 9.460 -2.222 -9.305 1.00 0.00 O ATOM 491 CB THR A 34 8.725 -1.868 -6.202 1.00 0.00 C ATOM 492 OG1 THR A 34 9.071 -1.412 -4.901 1.00 0.00 O ATOM 493 CG2 THR A 34 9.172 -3.319 -6.373 1.00 0.00 C ATOM 0 H THR A 34 8.434 0.497 -6.076 1.00 0.00 H new ATOM 0 HA THR A 34 10.500 -1.132 -7.243 1.00 0.00 H new ATOM 0 HB THR A 34 7.645 -1.807 -6.333 1.00 0.00 H new ATOM 0 HG1 THR A 34 8.414 -0.750 -4.601 1.00 0.00 H new ATOM 0 HG21 THR A 34 8.677 -3.942 -5.628 1.00 0.00 H new ATOM 0 HG22 THR A 34 8.906 -3.666 -7.371 1.00 0.00 H new ATOM 0 HG23 THR A 34 10.252 -3.385 -6.242 1.00 0.00 H new ATOM 501 N VAL A 35 7.921 -0.665 -9.130 1.00 0.00 N ATOM 502 CA VAL A 35 7.400 -0.964 -10.495 1.00 0.00 C ATOM 503 C VAL A 35 8.522 -0.832 -11.528 1.00 0.00 C ATOM 504 O VAL A 35 8.474 -1.423 -12.589 1.00 0.00 O ATOM 505 CB VAL A 35 6.315 0.084 -10.744 1.00 0.00 C ATOM 506 CG1 VAL A 35 5.721 -0.115 -12.139 1.00 0.00 C ATOM 507 CG2 VAL A 35 5.211 -0.066 -9.694 1.00 0.00 C ATOM 0 H VAL A 35 7.436 0.083 -8.634 1.00 0.00 H new ATOM 0 HA VAL A 35 7.011 -1.979 -10.576 1.00 0.00 H new ATOM 0 HB VAL A 35 6.751 1.081 -10.675 1.00 0.00 H new ATOM 0 HG11 VAL A 35 4.948 0.633 -12.315 1.00 0.00 H new ATOM 0 HG12 VAL A 35 6.506 -0.008 -12.887 1.00 0.00 H new ATOM 0 HG13 VAL A 35 5.285 -1.112 -12.210 1.00 0.00 H new ATOM 0 HG21 VAL A 35 4.437 0.681 -9.871 1.00 0.00 H new ATOM 0 HG22 VAL A 35 4.776 -1.063 -9.763 1.00 0.00 H new ATOM 0 HG23 VAL A 35 5.633 0.077 -8.699 1.00 0.00 H new ATOM 639 N SER A 44 14.455 7.599 -8.583 1.00 0.00 N ATOM 640 CA SER A 44 14.894 8.694 -7.673 1.00 0.00 C ATOM 641 C SER A 44 13.691 9.278 -6.929 1.00 0.00 C ATOM 642 O SER A 44 12.636 9.466 -7.499 1.00 0.00 O ATOM 643 CB SER A 44 15.519 9.746 -8.589 1.00 0.00 C ATOM 644 OG SER A 44 15.826 9.155 -9.844 1.00 0.00 O ATOM 0 HA SER A 44 15.596 8.344 -6.916 1.00 0.00 H new ATOM 0 HB2 SER A 44 14.831 10.580 -8.726 1.00 0.00 H new ATOM 0 HB3 SER A 44 16.423 10.150 -8.134 1.00 0.00 H new ATOM 0 HG SER A 44 15.183 8.441 -10.035 1.00 0.00 H new ATOM 650 N GLU A 45 13.847 9.555 -5.658 1.00 0.00 N ATOM 651 CA GLU A 45 12.720 10.123 -4.855 1.00 0.00 C ATOM 652 C GLU A 45 11.865 11.063 -5.707 1.00 0.00 C ATOM 653 O GLU A 45 10.651 11.036 -5.648 1.00 0.00 O ATOM 654 CB GLU A 45 13.397 10.897 -3.722 1.00 0.00 C ATOM 655 CG GLU A 45 12.333 11.443 -2.769 1.00 0.00 C ATOM 656 CD GLU A 45 11.825 10.315 -1.869 1.00 0.00 C ATOM 657 OE1 GLU A 45 11.596 9.232 -2.383 1.00 0.00 O ATOM 658 OE2 GLU A 45 11.675 10.553 -0.683 1.00 0.00 O ATOM 0 H GLU A 45 14.713 9.411 -5.139 1.00 0.00 H new ATOM 0 HA GLU A 45 12.052 9.346 -4.484 1.00 0.00 H new ATOM 0 HB2 GLU A 45 14.084 10.245 -3.182 1.00 0.00 H new ATOM 0 HB3 GLU A 45 13.989 11.716 -4.130 1.00 0.00 H new ATOM 0 HG2 GLU A 45 12.751 12.246 -2.162 1.00 0.00 H new ATOM 0 HG3 GLU A 45 11.506 11.870 -3.337 1.00 0.00 H new ATOM 665 N ALA A 46 12.481 11.889 -6.506 1.00 0.00 N ATOM 666 CA ALA A 46 11.690 12.816 -7.363 1.00 0.00 C ATOM 667 C ALA A 46 10.646 12.022 -8.151 1.00 0.00 C ATOM 668 O ALA A 46 9.471 12.331 -8.130 1.00 0.00 O ATOM 669 CB ALA A 46 12.708 13.452 -8.308 1.00 0.00 C ATOM 0 H ALA A 46 13.494 11.962 -6.603 1.00 0.00 H new ATOM 0 HA ALA A 46 11.155 13.568 -6.783 1.00 0.00 H new ATOM 0 HB1 ALA A 46 12.200 14.150 -8.973 1.00 0.00 H new ATOM 0 HB2 ALA A 46 13.460 13.986 -7.727 1.00 0.00 H new ATOM 0 HB3 ALA A 46 13.192 12.674 -8.899 1.00 0.00 H new ATOM 675 N GLU A 47 11.066 10.993 -8.835 1.00 0.00 N ATOM 676 CA GLU A 47 10.100 10.168 -9.615 1.00 0.00 C ATOM 677 C GLU A 47 9.339 9.233 -8.673 1.00 0.00 C ATOM 678 O GLU A 47 8.186 8.916 -8.889 1.00 0.00 O ATOM 679 CB GLU A 47 10.964 9.365 -10.588 1.00 0.00 C ATOM 680 CG GLU A 47 11.760 10.324 -11.475 1.00 0.00 C ATOM 681 CD GLU A 47 10.866 10.835 -12.606 1.00 0.00 C ATOM 682 OE1 GLU A 47 9.703 10.466 -12.628 1.00 0.00 O ATOM 683 OE2 GLU A 47 11.358 11.587 -13.430 1.00 0.00 O ATOM 0 H GLU A 47 12.038 10.688 -8.887 1.00 0.00 H new ATOM 0 HA GLU A 47 9.358 10.773 -10.136 1.00 0.00 H new ATOM 0 HB2 GLU A 47 11.643 8.715 -10.036 1.00 0.00 H new ATOM 0 HB3 GLU A 47 10.335 8.721 -11.203 1.00 0.00 H new ATOM 0 HG2 GLU A 47 12.130 11.161 -10.883 1.00 0.00 H new ATOM 0 HG3 GLU A 47 12.632 9.816 -11.888 1.00 0.00 H new ATOM 690 N VAL A 48 9.979 8.797 -7.624 1.00 0.00 N ATOM 691 CA VAL A 48 9.303 7.888 -6.653 1.00 0.00 C ATOM 692 C VAL A 48 8.169 8.639 -5.956 1.00 0.00 C ATOM 693 O VAL A 48 7.004 8.338 -6.130 1.00 0.00 O ATOM 694 CB VAL A 48 10.388 7.518 -5.640 1.00 0.00 C ATOM 695 CG1 VAL A 48 9.892 6.389 -4.741 1.00 0.00 C ATOM 696 CG2 VAL A 48 11.648 7.060 -6.375 1.00 0.00 C ATOM 0 H VAL A 48 10.945 9.031 -7.395 1.00 0.00 H new ATOM 0 HA VAL A 48 8.873 7.008 -7.132 1.00 0.00 H new ATOM 0 HB VAL A 48 10.619 8.393 -5.032 1.00 0.00 H new ATOM 0 HG11 VAL A 48 10.668 6.129 -4.021 1.00 0.00 H new ATOM 0 HG12 VAL A 48 8.998 6.714 -4.209 1.00 0.00 H new ATOM 0 HG13 VAL A 48 9.655 5.517 -5.350 1.00 0.00 H new ATOM 0 HG21 VAL A 48 12.418 6.798 -5.649 1.00 0.00 H new ATOM 0 HG22 VAL A 48 11.415 6.189 -6.988 1.00 0.00 H new ATOM 0 HG23 VAL A 48 12.011 7.866 -7.013 1.00 0.00 H new ATOM 706 N ASN A 49 8.513 9.620 -5.173 1.00 0.00 N ATOM 707 CA ASN A 49 7.480 10.414 -4.457 1.00 0.00 C ATOM 708 C ASN A 49 6.471 10.986 -5.459 1.00 0.00 C ATOM 709 O ASN A 49 5.291 11.076 -5.183 1.00 0.00 O ATOM 710 CB ASN A 49 8.283 11.526 -3.771 1.00 0.00 C ATOM 711 CG ASN A 49 7.411 12.770 -3.572 1.00 0.00 C ATOM 712 OD1 ASN A 49 6.203 12.674 -3.500 1.00 0.00 O ATOM 713 ND2 ASN A 49 7.979 13.941 -3.481 1.00 0.00 N ATOM 0 H ASN A 49 9.475 9.908 -4.997 1.00 0.00 H new ATOM 0 HA ASN A 49 6.899 9.829 -3.744 1.00 0.00 H new ATOM 0 HB2 ASN A 49 8.652 11.175 -2.807 1.00 0.00 H new ATOM 0 HB3 ASN A 49 9.155 11.778 -4.374 1.00 0.00 H new ATOM 0 HD21 ASN A 49 7.408 14.776 -3.349 1.00 0.00 H new ATOM 0 HD22 ASN A 49 8.994 14.022 -3.541 1.00 0.00 H new ATOM 720 N ASP A 50 6.924 11.374 -6.620 1.00 0.00 N ATOM 721 CA ASP A 50 5.989 11.938 -7.635 1.00 0.00 C ATOM 722 C ASP A 50 4.883 10.929 -7.951 1.00 0.00 C ATOM 723 O ASP A 50 3.715 11.262 -7.977 1.00 0.00 O ATOM 724 CB ASP A 50 6.851 12.194 -8.871 1.00 0.00 C ATOM 725 CG ASP A 50 7.370 13.633 -8.844 1.00 0.00 C ATOM 726 OD1 ASP A 50 7.270 14.259 -7.800 1.00 0.00 O ATOM 727 OD2 ASP A 50 7.858 14.086 -9.866 1.00 0.00 O ATOM 0 H ASP A 50 7.901 11.325 -6.910 1.00 0.00 H new ATOM 0 HA ASP A 50 5.500 12.847 -7.286 1.00 0.00 H new ATOM 0 HB2 ASP A 50 7.687 11.495 -8.895 1.00 0.00 H new ATOM 0 HB3 ASP A 50 6.267 12.024 -9.776 1.00 0.00 H new ATOM 732 N LEU A 51 5.241 9.698 -8.193 1.00 0.00 N ATOM 733 CA LEU A 51 4.209 8.669 -8.507 1.00 0.00 C ATOM 734 C LEU A 51 3.230 8.527 -7.339 1.00 0.00 C ATOM 735 O LEU A 51 2.030 8.616 -7.508 1.00 0.00 O ATOM 736 CB LEU A 51 4.992 7.373 -8.713 1.00 0.00 C ATOM 737 CG LEU A 51 4.803 6.885 -10.151 1.00 0.00 C ATOM 738 CD1 LEU A 51 5.696 5.668 -10.398 1.00 0.00 C ATOM 739 CD2 LEU A 51 3.340 6.494 -10.367 1.00 0.00 C ATOM 0 H LEU A 51 6.203 9.360 -8.187 1.00 0.00 H new ATOM 0 HA LEU A 51 3.618 8.931 -9.385 1.00 0.00 H new ATOM 0 HB2 LEU A 51 6.050 7.539 -8.510 1.00 0.00 H new ATOM 0 HB3 LEU A 51 4.648 6.613 -8.012 1.00 0.00 H new ATOM 0 HG LEU A 51 5.074 7.682 -10.844 1.00 0.00 H new ATOM 0 HD11 LEU A 51 5.562 5.320 -11.422 1.00 0.00 H new ATOM 0 HD12 LEU A 51 6.739 5.944 -10.242 1.00 0.00 H new ATOM 0 HD13 LEU A 51 5.425 4.871 -9.706 1.00 0.00 H new ATOM 0 HD21 LEU A 51 3.204 6.146 -11.391 1.00 0.00 H new ATOM 0 HD22 LEU A 51 3.070 5.697 -9.674 1.00 0.00 H new ATOM 0 HD23 LEU A 51 2.702 7.360 -10.190 1.00 0.00 H new ATOM 751 N MET A 52 3.732 8.307 -6.156 1.00 0.00 N ATOM 752 CA MET A 52 2.828 8.160 -4.978 1.00 0.00 C ATOM 753 C MET A 52 2.062 9.462 -4.733 1.00 0.00 C ATOM 754 O MET A 52 0.889 9.455 -4.419 1.00 0.00 O ATOM 755 CB MET A 52 3.756 7.853 -3.802 1.00 0.00 C ATOM 756 CG MET A 52 2.998 8.050 -2.488 1.00 0.00 C ATOM 757 SD MET A 52 3.130 9.778 -1.968 1.00 0.00 S ATOM 758 CE MET A 52 4.880 9.744 -1.507 1.00 0.00 C ATOM 0 H MET A 52 4.728 8.222 -5.953 1.00 0.00 H new ATOM 0 HA MET A 52 2.083 7.377 -5.124 1.00 0.00 H new ATOM 0 HB2 MET A 52 4.123 6.829 -3.872 1.00 0.00 H new ATOM 0 HB3 MET A 52 4.628 8.507 -3.833 1.00 0.00 H new ATOM 0 HG2 MET A 52 1.951 7.777 -2.616 1.00 0.00 H new ATOM 0 HG3 MET A 52 3.407 7.395 -1.718 1.00 0.00 H new ATOM 0 HE1 MET A 52 5.070 10.499 -0.744 1.00 0.00 H new ATOM 0 HE2 MET A 52 5.134 8.759 -1.115 1.00 0.00 H new ATOM 0 HE3 MET A 52 5.492 9.954 -2.385 1.00 0.00 H new ATOM 768 N ASN A 53 2.718 10.582 -4.875 1.00 0.00 N ATOM 769 CA ASN A 53 2.027 11.885 -4.650 1.00 0.00 C ATOM 770 C ASN A 53 1.126 12.221 -5.841 1.00 0.00 C ATOM 771 O ASN A 53 0.018 12.692 -5.679 1.00 0.00 O ATOM 772 CB ASN A 53 3.153 12.911 -4.522 1.00 0.00 C ATOM 773 CG ASN A 53 2.647 14.132 -3.750 1.00 0.00 C ATOM 774 OD1 ASN A 53 2.563 14.106 -2.539 1.00 0.00 O ATOM 775 ND2 ASN A 53 2.303 15.206 -4.406 1.00 0.00 N ATOM 0 H ASN A 53 3.701 10.651 -5.137 1.00 0.00 H new ATOM 0 HA ASN A 53 1.388 11.867 -3.767 1.00 0.00 H new ATOM 0 HB2 ASN A 53 4.005 12.469 -4.006 1.00 0.00 H new ATOM 0 HB3 ASN A 53 3.500 13.211 -5.511 1.00 0.00 H new ATOM 0 HD21 ASN A 53 1.963 16.025 -3.902 1.00 0.00 H new ATOM 0 HD22 ASN A 53 2.374 15.227 -5.423 1.00 0.00 H new ATOM 782 N GLU A 54 1.593 11.985 -7.037 1.00 0.00 N ATOM 783 CA GLU A 54 0.761 12.293 -8.236 1.00 0.00 C ATOM 784 C GLU A 54 -0.569 11.539 -8.165 1.00 0.00 C ATOM 785 O GLU A 54 -1.618 12.085 -8.444 1.00 0.00 O ATOM 786 CB GLU A 54 1.589 11.811 -9.427 1.00 0.00 C ATOM 787 CG GLU A 54 2.684 12.834 -9.736 1.00 0.00 C ATOM 788 CD GLU A 54 2.347 13.565 -11.037 1.00 0.00 C ATOM 789 OE1 GLU A 54 1.595 13.015 -11.825 1.00 0.00 O ATOM 790 OE2 GLU A 54 2.847 14.662 -11.224 1.00 0.00 O ATOM 0 H GLU A 54 2.513 11.593 -7.236 1.00 0.00 H new ATOM 0 HA GLU A 54 0.520 13.353 -8.310 1.00 0.00 H new ATOM 0 HB2 GLU A 54 2.035 10.841 -9.205 1.00 0.00 H new ATOM 0 HB3 GLU A 54 0.948 11.675 -10.298 1.00 0.00 H new ATOM 0 HG2 GLU A 54 2.771 13.548 -8.917 1.00 0.00 H new ATOM 0 HG3 GLU A 54 3.648 12.334 -9.827 1.00 0.00 H new ATOM 797 N ILE A 55 -0.534 10.288 -7.795 1.00 0.00 N ATOM 798 CA ILE A 55 -1.797 9.502 -7.709 1.00 0.00 C ATOM 799 C ILE A 55 -2.443 9.687 -6.333 1.00 0.00 C ATOM 800 O ILE A 55 -3.588 9.340 -6.122 1.00 0.00 O ATOM 801 CB ILE A 55 -1.374 8.047 -7.912 1.00 0.00 C ATOM 802 CG1 ILE A 55 -2.612 7.188 -8.176 1.00 0.00 C ATOM 803 CG2 ILE A 55 -0.663 7.540 -6.656 1.00 0.00 C ATOM 804 CD1 ILE A 55 -2.362 6.289 -9.389 1.00 0.00 C ATOM 0 H ILE A 55 0.314 9.777 -7.549 1.00 0.00 H new ATOM 0 HA ILE A 55 -2.531 9.819 -8.449 1.00 0.00 H new ATOM 0 HB ILE A 55 -0.697 7.983 -8.764 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -2.839 6.580 -7.300 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -3.478 7.825 -8.355 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -0.362 6.503 -6.802 1.00 0.00 H new ATOM 0 HG22 ILE A 55 0.220 8.151 -6.466 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -1.339 7.605 -5.804 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -3.244 5.677 -9.577 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -2.156 6.907 -10.263 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -1.507 5.642 -9.192 1.00 0.00 H new ATOM 816 N ASP A 56 -1.717 10.232 -5.394 1.00 0.00 N ATOM 817 CA ASP A 56 -2.291 10.438 -4.034 1.00 0.00 C ATOM 818 C ASP A 56 -3.509 11.363 -4.108 1.00 0.00 C ATOM 819 O ASP A 56 -3.698 12.081 -5.070 1.00 0.00 O ATOM 820 CB ASP A 56 -1.170 11.092 -3.226 1.00 0.00 C ATOM 821 CG ASP A 56 -0.933 10.295 -1.942 1.00 0.00 C ATOM 822 OD1 ASP A 56 -1.907 9.860 -1.350 1.00 0.00 O ATOM 823 OD2 ASP A 56 0.219 10.132 -1.573 1.00 0.00 O ATOM 0 H ASP A 56 -0.753 10.543 -5.510 1.00 0.00 H new ATOM 0 HA ASP A 56 -2.628 9.505 -3.583 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -0.255 11.129 -3.817 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -1.435 12.121 -2.984 1.00 0.00 H new ATOM 828 N VAL A 57 -4.333 11.350 -3.099 1.00 0.00 N ATOM 829 CA VAL A 57 -5.539 12.228 -3.107 1.00 0.00 C ATOM 830 C VAL A 57 -5.477 13.214 -1.939 1.00 0.00 C ATOM 831 O VAL A 57 -5.912 14.343 -2.041 1.00 0.00 O ATOM 832 CB VAL A 57 -6.721 11.275 -2.945 1.00 0.00 C ATOM 833 CG1 VAL A 57 -6.932 10.501 -4.245 1.00 0.00 C ATOM 834 CG2 VAL A 57 -6.431 10.290 -1.810 1.00 0.00 C ATOM 0 H VAL A 57 -4.225 10.769 -2.267 1.00 0.00 H new ATOM 0 HA VAL A 57 -5.617 12.820 -4.019 1.00 0.00 H new ATOM 0 HB VAL A 57 -7.619 11.847 -2.711 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -7.776 9.820 -4.130 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -7.137 11.200 -5.056 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -6.034 9.929 -4.478 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -7.275 9.610 -1.694 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -5.533 9.718 -2.045 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -6.278 10.840 -0.881 1.00 0.00 H new ATOM 844 N ASP A 58 -4.937 12.792 -0.830 1.00 0.00 N ATOM 845 CA ASP A 58 -4.842 13.701 0.349 1.00 0.00 C ATOM 846 C ASP A 58 -3.375 13.998 0.672 1.00 0.00 C ATOM 847 O ASP A 58 -3.059 14.964 1.337 1.00 0.00 O ATOM 848 CB ASP A 58 -5.505 12.939 1.497 1.00 0.00 C ATOM 849 CG ASP A 58 -5.033 11.485 1.489 1.00 0.00 C ATOM 850 OD1 ASP A 58 -3.935 11.242 1.018 1.00 0.00 O ATOM 851 OD2 ASP A 58 -5.778 10.638 1.955 1.00 0.00 O ATOM 0 H ASP A 58 -4.557 11.856 -0.688 1.00 0.00 H new ATOM 0 HA ASP A 58 -5.326 14.661 0.169 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -5.256 13.407 2.449 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -6.589 12.980 1.396 1.00 0.00 H new ATOM 856 N GLY A 59 -2.474 13.176 0.203 1.00 0.00 N ATOM 857 CA GLY A 59 -1.030 13.416 0.481 1.00 0.00 C ATOM 858 C GLY A 59 -0.624 12.709 1.775 1.00 0.00 C ATOM 859 O GLY A 59 -0.321 13.339 2.769 1.00 0.00 O ATOM 0 H GLY A 59 -2.676 12.350 -0.360 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -0.425 13.050 -0.349 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -0.840 14.486 0.566 1.00 0.00 H new ATOM 863 N ASN A 60 -0.607 11.404 1.772 1.00 0.00 N ATOM 864 CA ASN A 60 -0.213 10.659 3.002 1.00 0.00 C ATOM 865 C ASN A 60 1.077 9.873 2.748 1.00 0.00 C ATOM 866 O ASN A 60 1.314 8.843 3.348 1.00 0.00 O ATOM 867 CB ASN A 60 -1.372 9.700 3.279 1.00 0.00 C ATOM 868 CG ASN A 60 -2.690 10.474 3.277 1.00 0.00 C ATOM 869 OD1 ASN A 60 -3.739 9.906 3.044 1.00 0.00 O ATOM 870 ND2 ASN A 60 -2.684 11.755 3.527 1.00 0.00 N ATOM 0 H ASN A 60 -0.849 10.821 0.971 1.00 0.00 H new ATOM 0 HA ASN A 60 -0.026 11.325 3.844 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -1.398 8.916 2.522 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -1.229 9.209 4.241 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -3.559 12.279 3.527 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -1.804 12.232 3.723 1.00 0.00 H new ATOM 877 N HIS A 61 1.905 10.348 1.857 1.00 0.00 N ATOM 878 CA HIS A 61 3.178 9.627 1.552 1.00 0.00 C ATOM 879 C HIS A 61 2.874 8.294 0.862 1.00 0.00 C ATOM 880 O HIS A 61 3.756 7.495 0.616 1.00 0.00 O ATOM 881 CB HIS A 61 3.851 9.390 2.907 1.00 0.00 C ATOM 882 CG HIS A 61 3.730 10.625 3.759 1.00 0.00 C ATOM 883 ND1 HIS A 61 3.488 11.877 3.217 1.00 0.00 N ATOM 884 CD2 HIS A 61 3.814 10.815 5.116 1.00 0.00 C ATOM 885 CE1 HIS A 61 3.436 12.757 4.234 1.00 0.00 C ATOM 886 NE2 HIS A 61 3.629 12.161 5.414 1.00 0.00 N ATOM 0 H HIS A 61 1.756 11.206 1.325 1.00 0.00 H new ATOM 0 HA HIS A 61 3.820 10.198 0.881 1.00 0.00 H new ATOM 0 HB2 HIS A 61 3.386 8.542 3.411 1.00 0.00 H new ATOM 0 HB3 HIS A 61 4.902 9.138 2.763 1.00 0.00 H new ATOM 0 HD2 HIS A 61 3.996 10.037 5.842 1.00 0.00 H new ATOM 0 HE1 HIS A 61 3.260 13.815 4.111 1.00 0.00 H new ATOM 0 HE2 HIS A 61 3.639 12.599 6.335 1.00 0.00 H new ATOM 894 N GLN A 62 1.632 8.051 0.544 1.00 0.00 N ATOM 895 CA GLN A 62 1.264 6.774 -0.134 1.00 0.00 C ATOM 896 C GLN A 62 -0.188 6.832 -0.604 1.00 0.00 C ATOM 897 O GLN A 62 -0.974 7.629 -0.129 1.00 0.00 O ATOM 898 CB GLN A 62 1.439 5.677 0.922 1.00 0.00 C ATOM 899 CG GLN A 62 0.979 6.188 2.291 1.00 0.00 C ATOM 900 CD GLN A 62 0.181 5.094 3.003 1.00 0.00 C ATOM 901 OE1 GLN A 62 -0.522 4.330 2.372 1.00 0.00 O ATOM 902 NE2 GLN A 62 0.260 4.986 4.301 1.00 0.00 N ATOM 0 H GLN A 62 0.853 8.684 0.725 1.00 0.00 H new ATOM 0 HA GLN A 62 1.883 6.587 -1.011 1.00 0.00 H new ATOM 0 HB2 GLN A 62 0.862 4.796 0.641 1.00 0.00 H new ATOM 0 HB3 GLN A 62 2.484 5.372 0.971 1.00 0.00 H new ATOM 0 HG2 GLN A 62 1.842 6.474 2.893 1.00 0.00 H new ATOM 0 HG3 GLN A 62 0.365 7.080 2.170 1.00 0.00 H new ATOM 0 HE21 GLN A 62 0.850 5.627 4.831 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -0.268 4.260 4.785 1.00 0.00 H new ATOM 911 N ILE A 63 -0.554 5.993 -1.532 1.00 0.00 N ATOM 912 CA ILE A 63 -1.957 6.003 -2.027 1.00 0.00 C ATOM 913 C ILE A 63 -2.568 4.604 -1.910 1.00 0.00 C ATOM 914 O ILE A 63 -1.883 3.605 -2.008 1.00 0.00 O ATOM 915 CB ILE A 63 -1.857 6.430 -3.492 1.00 0.00 C ATOM 916 CG1 ILE A 63 -1.355 5.260 -4.339 1.00 0.00 C ATOM 917 CG2 ILE A 63 -0.888 7.606 -3.623 1.00 0.00 C ATOM 918 CD1 ILE A 63 -2.535 4.359 -4.707 1.00 0.00 C ATOM 0 H ILE A 63 0.057 5.302 -1.968 1.00 0.00 H new ATOM 0 HA ILE A 63 -2.595 6.674 -1.452 1.00 0.00 H new ATOM 0 HB ILE A 63 -2.844 6.733 -3.842 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -0.871 5.631 -5.242 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -0.607 4.691 -3.787 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -0.820 7.907 -4.668 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -1.250 8.444 -3.027 1.00 0.00 H new ATOM 0 HG23 ILE A 63 0.098 7.307 -3.267 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -2.181 3.524 -5.311 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -2.999 3.978 -3.797 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -3.267 4.933 -5.275 1.00 0.00 H new ATOM 930 N GLU A 64 -3.853 4.527 -1.709 1.00 0.00 N ATOM 931 CA GLU A 64 -4.512 3.195 -1.594 1.00 0.00 C ATOM 932 C GLU A 64 -5.100 2.796 -2.948 1.00 0.00 C ATOM 933 O GLU A 64 -4.792 3.386 -3.963 1.00 0.00 O ATOM 934 CB GLU A 64 -5.622 3.390 -0.561 1.00 0.00 C ATOM 935 CG GLU A 64 -5.983 2.043 0.066 1.00 0.00 C ATOM 936 CD GLU A 64 -5.597 2.049 1.546 1.00 0.00 C ATOM 937 OE1 GLU A 64 -4.576 2.631 1.870 1.00 0.00 O ATOM 938 OE2 GLU A 64 -6.330 1.470 2.332 1.00 0.00 O ATOM 0 H GLU A 64 -4.477 5.329 -1.619 1.00 0.00 H new ATOM 0 HA GLU A 64 -3.820 2.407 -1.297 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -5.295 4.086 0.212 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -6.500 3.829 -1.035 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -7.051 1.855 -0.041 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -5.464 1.237 -0.453 1.00 0.00 H new ATOM 945 N PHE A 65 -5.944 1.803 -2.979 1.00 0.00 N ATOM 946 CA PHE A 65 -6.537 1.388 -4.279 1.00 0.00 C ATOM 947 C PHE A 65 -7.452 2.489 -4.817 1.00 0.00 C ATOM 948 O PHE A 65 -7.111 3.186 -5.750 1.00 0.00 O ATOM 949 CB PHE A 65 -7.346 0.129 -3.982 1.00 0.00 C ATOM 950 CG PHE A 65 -8.122 -0.233 -5.219 1.00 0.00 C ATOM 951 CD1 PHE A 65 -7.439 -0.570 -6.393 1.00 0.00 C ATOM 952 CD2 PHE A 65 -9.521 -0.214 -5.202 1.00 0.00 C ATOM 953 CE1 PHE A 65 -8.154 -0.890 -7.549 1.00 0.00 C ATOM 954 CE2 PHE A 65 -10.236 -0.531 -6.361 1.00 0.00 C ATOM 955 CZ PHE A 65 -9.553 -0.869 -7.533 1.00 0.00 C ATOM 0 H PHE A 65 -6.247 1.265 -2.167 1.00 0.00 H new ATOM 0 HA PHE A 65 -5.770 1.206 -5.032 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -6.685 -0.689 -3.695 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -8.023 0.301 -3.145 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -6.359 -0.583 -6.405 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -10.048 0.045 -4.295 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -7.628 -1.153 -8.455 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -11.316 -0.515 -6.351 1.00 0.00 H new ATOM 0 HZ PHE A 65 -10.106 -1.114 -8.428 1.00 0.00 H new ATOM 965 N SER A 66 -8.615 2.639 -4.236 1.00 0.00 N ATOM 966 CA SER A 66 -9.571 3.692 -4.702 1.00 0.00 C ATOM 967 C SER A 66 -8.819 4.944 -5.167 1.00 0.00 C ATOM 968 O SER A 66 -9.218 5.602 -6.107 1.00 0.00 O ATOM 969 CB SER A 66 -10.431 4.009 -3.479 1.00 0.00 C ATOM 970 OG SER A 66 -10.665 2.814 -2.746 1.00 0.00 O ATOM 0 H SER A 66 -8.946 2.074 -3.454 1.00 0.00 H new ATOM 0 HA SER A 66 -10.166 3.355 -5.551 1.00 0.00 H new ATOM 0 HB2 SER A 66 -9.930 4.744 -2.849 1.00 0.00 H new ATOM 0 HB3 SER A 66 -11.378 4.449 -3.791 1.00 0.00 H new ATOM 0 HG SER A 66 -11.215 3.015 -1.960 1.00 0.00 H new ATOM 976 N GLU A 67 -7.726 5.272 -4.530 1.00 0.00 N ATOM 977 CA GLU A 67 -6.954 6.472 -4.958 1.00 0.00 C ATOM 978 C GLU A 67 -6.311 6.194 -6.318 1.00 0.00 C ATOM 979 O GLU A 67 -6.347 7.010 -7.217 1.00 0.00 O ATOM 980 CB GLU A 67 -5.887 6.670 -3.881 1.00 0.00 C ATOM 981 CG GLU A 67 -6.561 6.809 -2.514 1.00 0.00 C ATOM 982 CD GLU A 67 -5.558 7.367 -1.503 1.00 0.00 C ATOM 983 OE1 GLU A 67 -4.438 7.642 -1.899 1.00 0.00 O ATOM 984 OE2 GLU A 67 -5.927 7.509 -0.349 1.00 0.00 O ATOM 0 H GLU A 67 -7.337 4.763 -3.736 1.00 0.00 H new ATOM 0 HA GLU A 67 -7.576 7.361 -5.064 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -5.200 5.824 -3.875 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -5.296 7.559 -4.099 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -7.424 7.470 -2.588 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -6.930 5.840 -2.179 1.00 0.00 H new ATOM 991 N PHE A 68 -5.741 5.031 -6.474 1.00 0.00 N ATOM 992 CA PHE A 68 -5.113 4.671 -7.775 1.00 0.00 C ATOM 993 C PHE A 68 -6.168 4.743 -8.884 1.00 0.00 C ATOM 994 O PHE A 68 -5.876 5.076 -10.015 1.00 0.00 O ATOM 995 CB PHE A 68 -4.612 3.236 -7.570 1.00 0.00 C ATOM 996 CG PHE A 68 -4.526 2.512 -8.894 1.00 0.00 C ATOM 997 CD1 PHE A 68 -3.845 3.092 -9.971 1.00 0.00 C ATOM 998 CD2 PHE A 68 -5.124 1.255 -9.040 1.00 0.00 C ATOM 999 CE1 PHE A 68 -3.765 2.416 -11.194 1.00 0.00 C ATOM 1000 CE2 PHE A 68 -5.042 0.578 -10.262 1.00 0.00 C ATOM 1001 CZ PHE A 68 -4.363 1.159 -11.340 1.00 0.00 C ATOM 0 H PHE A 68 -5.683 4.312 -5.753 1.00 0.00 H new ATOM 0 HA PHE A 68 -4.303 5.339 -8.068 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -3.632 3.251 -7.093 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -5.285 2.702 -6.899 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -3.381 4.061 -9.858 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -5.649 0.807 -8.209 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -3.242 2.865 -12.025 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -5.502 -0.393 -10.374 1.00 0.00 H new ATOM 0 HZ PHE A 68 -4.301 0.637 -12.284 1.00 0.00 H new ATOM 1011 N LEU A 69 -7.398 4.441 -8.559 1.00 0.00 N ATOM 1012 CA LEU A 69 -8.479 4.499 -9.584 1.00 0.00 C ATOM 1013 C LEU A 69 -8.800 5.957 -9.916 1.00 0.00 C ATOM 1014 O LEU A 69 -9.080 6.303 -11.047 1.00 0.00 O ATOM 1015 CB LEU A 69 -9.684 3.824 -8.928 1.00 0.00 C ATOM 1016 CG LEU A 69 -9.668 2.327 -9.237 1.00 0.00 C ATOM 1017 CD1 LEU A 69 -10.009 2.104 -10.710 1.00 0.00 C ATOM 1018 CD2 LEU A 69 -8.278 1.762 -8.944 1.00 0.00 C ATOM 0 H LEU A 69 -7.700 4.157 -7.627 1.00 0.00 H new ATOM 0 HA LEU A 69 -8.196 4.009 -10.516 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -9.660 3.983 -7.850 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -10.608 4.271 -9.295 1.00 0.00 H new ATOM 0 HG LEU A 69 -10.406 1.821 -8.615 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -9.997 1.036 -10.929 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -11.000 2.506 -10.919 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -9.273 2.610 -11.335 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -8.265 0.694 -9.164 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -7.540 2.269 -9.566 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -8.036 1.919 -7.893 1.00 0.00 H new ATOM 1030 N ALA A 70 -8.762 6.815 -8.933 1.00 0.00 N ATOM 1031 CA ALA A 70 -9.063 8.254 -9.181 1.00 0.00 C ATOM 1032 C ALA A 70 -8.078 8.833 -10.200 1.00 0.00 C ATOM 1033 O ALA A 70 -8.459 9.525 -11.123 1.00 0.00 O ATOM 1034 CB ALA A 70 -8.890 8.931 -7.821 1.00 0.00 C ATOM 0 H ALA A 70 -8.535 6.581 -7.967 1.00 0.00 H new ATOM 0 HA ALA A 70 -10.063 8.404 -9.588 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -9.094 9.997 -7.917 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -9.584 8.491 -7.105 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -7.868 8.787 -7.471 1.00 0.00 H new ATOM 1040 N LEU A 71 -6.813 8.555 -10.039 1.00 0.00 N ATOM 1041 CA LEU A 71 -5.804 9.091 -10.999 1.00 0.00 C ATOM 1042 C LEU A 71 -5.691 8.169 -12.217 1.00 0.00 C ATOM 1043 O LEU A 71 -5.476 8.614 -13.326 1.00 0.00 O ATOM 1044 CB LEU A 71 -4.489 9.114 -10.219 1.00 0.00 C ATOM 1045 CG LEU A 71 -3.495 10.039 -10.924 1.00 0.00 C ATOM 1046 CD1 LEU A 71 -3.427 11.375 -10.182 1.00 0.00 C ATOM 1047 CD2 LEU A 71 -2.110 9.388 -10.928 1.00 0.00 C ATOM 0 H LEU A 71 -6.434 7.981 -9.286 1.00 0.00 H new ATOM 0 HA LEU A 71 -6.073 10.079 -11.373 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -4.664 9.459 -9.200 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -4.078 8.107 -10.148 1.00 0.00 H new ATOM 0 HG LEU A 71 -3.821 10.209 -11.950 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -2.719 12.034 -10.684 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -4.413 11.839 -10.176 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -3.100 11.205 -9.156 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -1.400 10.046 -11.430 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -1.785 9.219 -9.902 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -2.157 8.435 -11.455 1.00 0.00 H new ATOM 1059 N MET A 72 -5.834 6.887 -12.017 1.00 0.00 N ATOM 1060 CA MET A 72 -5.734 5.939 -13.164 1.00 0.00 C ATOM 1061 C MET A 72 -6.906 6.149 -14.128 1.00 0.00 C ATOM 1062 O MET A 72 -6.728 6.573 -15.252 1.00 0.00 O ATOM 1063 CB MET A 72 -5.800 4.548 -12.534 1.00 0.00 C ATOM 1064 CG MET A 72 -5.711 3.486 -13.631 1.00 0.00 C ATOM 1065 SD MET A 72 -4.277 3.822 -14.682 1.00 0.00 S ATOM 1066 CE MET A 72 -3.583 2.151 -14.662 1.00 0.00 C ATOM 0 H MET A 72 -6.015 6.455 -11.111 1.00 0.00 H new ATOM 0 HA MET A 72 -4.820 6.082 -13.740 1.00 0.00 H new ATOM 0 HB2 MET A 72 -4.984 4.420 -11.823 1.00 0.00 H new ATOM 0 HB3 MET A 72 -6.730 4.433 -11.977 1.00 0.00 H new ATOM 0 HG2 MET A 72 -5.625 2.495 -13.186 1.00 0.00 H new ATOM 0 HG3 MET A 72 -6.622 3.489 -14.229 1.00 0.00 H new ATOM 0 HE1 MET A 72 -2.669 2.144 -14.068 1.00 0.00 H new ATOM 0 HE2 MET A 72 -4.306 1.462 -14.225 1.00 0.00 H new ATOM 0 HE3 MET A 72 -3.355 1.839 -15.681 1.00 0.00 H new