USER MOD reduce.3.24.130724 H: found=0, std=0, add=438, rem=0, adj=11 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 52 MET CE :methyl -132:sc= -20.6! (180deg=-23.7!) USER MOD Set 1.2: A 53 ASN : amide:sc= -0.238 X(o=-21,f=-21) USER MOD Single : A 5 THR OG1 : rot -57:sc= -0.0193 USER MOD Single : A 8 GLN : amide:sc= -6.97! C(o=-7!,f=-3.9!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ -95:sc= -0.456 (180deg=-1.2) USER MOD Single : A 23 ASN : amide:sc= -1.25 X(o=-1.3,f=-0.85) USER MOD Single : A 24 ASN : amide:sc= -9.16! C(o=-9.2!,f=-10!) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= -1.81! USER MOD Single : A 29 SER OG : rot 180:sc= 0.21 USER MOD Single : A 30 SER OG : rot 180:sc= 0.156 USER MOD Single : A 34 THR OG1 : rot 89:sc= 0.807 USER MOD Single : A 44 SER OG : rot 25:sc= 0.864 USER MOD Single : A 49 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 ASN : amide:sc= -2.48! C(o=-2.5!,f=-4.9!) USER MOD Single : A 61 HIS : no HD1:sc= -1.03 K(o=-1,f=-1.6!) USER MOD Single : A 62 GLN : amide:sc= -0.443 X(o=-0.44,f=-0.059) USER MOD Single : A 66 SER OG : rot 180:sc= 0.119 USER MOD Single : A 72 MET CE :methyl -119:sc= -0.736 (180deg=-2.74!) USER MOD ----------------------------------------------------------------- ATOM 39 N LEU A 4 -16.309 0.106 -18.503 1.00 0.00 N ATOM 40 CA LEU A 4 -15.301 0.125 -17.403 1.00 0.00 C ATOM 41 C LEU A 4 -15.966 -0.250 -16.072 1.00 0.00 C ATOM 42 O LEU A 4 -16.341 -1.386 -15.860 1.00 0.00 O ATOM 43 CB LEU A 4 -14.775 1.561 -17.378 1.00 0.00 C ATOM 44 CG LEU A 4 -14.018 1.851 -18.675 1.00 0.00 C ATOM 45 CD1 LEU A 4 -14.925 2.625 -19.634 1.00 0.00 C ATOM 46 CD2 LEU A 4 -12.775 2.687 -18.363 1.00 0.00 C ATOM 0 HA LEU A 4 -14.495 -0.593 -17.557 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -15.603 2.261 -17.264 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -14.117 1.703 -16.521 1.00 0.00 H new ATOM 0 HG LEU A 4 -13.718 0.911 -19.138 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -14.385 2.832 -20.558 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -15.811 2.030 -19.856 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -15.226 3.565 -19.171 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -12.235 2.894 -19.287 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -13.075 3.627 -17.900 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -12.128 2.136 -17.680 1.00 0.00 H new ATOM 58 N THR A 5 -16.121 0.686 -15.172 1.00 0.00 N ATOM 59 CA THR A 5 -16.768 0.360 -13.867 1.00 0.00 C ATOM 60 C THR A 5 -16.087 -0.854 -13.229 1.00 0.00 C ATOM 61 O THR A 5 -14.896 -1.051 -13.367 1.00 0.00 O ATOM 62 CB THR A 5 -18.228 0.037 -14.204 1.00 0.00 C ATOM 63 OG1 THR A 5 -18.324 -1.313 -14.635 1.00 0.00 O ATOM 64 CG2 THR A 5 -18.728 0.965 -15.316 1.00 0.00 C ATOM 0 H THR A 5 -15.829 1.657 -15.283 1.00 0.00 H new ATOM 0 HA THR A 5 -16.690 1.183 -13.157 1.00 0.00 H new ATOM 0 HB THR A 5 -18.841 0.184 -13.315 1.00 0.00 H new ATOM 0 HG1 THR A 5 -17.726 -1.456 -15.398 1.00 0.00 H new ATOM 0 HG21 THR A 5 -19.766 0.728 -15.548 1.00 0.00 H new ATOM 0 HG22 THR A 5 -18.658 2.001 -14.984 1.00 0.00 H new ATOM 0 HG23 THR A 5 -18.116 0.827 -16.207 1.00 0.00 H new ATOM 72 N GLU A 6 -16.835 -1.668 -12.536 1.00 0.00 N ATOM 73 CA GLU A 6 -16.232 -2.872 -11.891 1.00 0.00 C ATOM 74 C GLU A 6 -15.242 -3.539 -12.847 1.00 0.00 C ATOM 75 O GLU A 6 -14.221 -4.056 -12.440 1.00 0.00 O ATOM 76 CB GLU A 6 -17.416 -3.797 -11.606 1.00 0.00 C ATOM 77 CG GLU A 6 -17.887 -4.450 -12.907 1.00 0.00 C ATOM 78 CD GLU A 6 -19.015 -5.438 -12.603 1.00 0.00 C ATOM 79 OE1 GLU A 6 -19.363 -5.571 -11.442 1.00 0.00 O ATOM 80 OE2 GLU A 6 -19.510 -6.047 -13.538 1.00 0.00 O ATOM 0 H GLU A 6 -17.838 -1.553 -12.388 1.00 0.00 H new ATOM 0 HA GLU A 6 -15.679 -2.628 -10.984 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -17.126 -4.564 -10.888 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -18.232 -3.231 -11.156 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -18.235 -3.687 -13.604 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -17.057 -4.967 -13.388 1.00 0.00 H new ATOM 87 N GLU A 7 -15.536 -3.526 -14.117 1.00 0.00 N ATOM 88 CA GLU A 7 -14.612 -4.151 -15.103 1.00 0.00 C ATOM 89 C GLU A 7 -13.269 -3.424 -15.078 1.00 0.00 C ATOM 90 O GLU A 7 -12.222 -4.034 -14.983 1.00 0.00 O ATOM 91 CB GLU A 7 -15.297 -3.973 -16.459 1.00 0.00 C ATOM 92 CG GLU A 7 -15.583 -5.346 -17.071 1.00 0.00 C ATOM 93 CD GLU A 7 -15.452 -5.265 -18.592 1.00 0.00 C ATOM 94 OE1 GLU A 7 -16.023 -4.353 -19.168 1.00 0.00 O ATOM 95 OE2 GLU A 7 -14.784 -6.114 -19.156 1.00 0.00 O ATOM 0 H GLU A 7 -16.377 -3.109 -14.515 1.00 0.00 H new ATOM 0 HA GLU A 7 -14.416 -5.201 -14.887 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -16.226 -3.416 -16.339 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -14.661 -3.391 -17.126 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -14.886 -6.085 -16.674 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -16.586 -5.675 -16.799 1.00 0.00 H new ATOM 102 N GLN A 8 -13.291 -2.121 -15.144 1.00 0.00 N ATOM 103 CA GLN A 8 -12.011 -1.360 -15.108 1.00 0.00 C ATOM 104 C GLN A 8 -11.414 -1.456 -13.701 1.00 0.00 C ATOM 105 O GLN A 8 -10.238 -1.709 -13.528 1.00 0.00 O ATOM 106 CB GLN A 8 -12.386 0.085 -15.478 1.00 0.00 C ATOM 107 CG GLN A 8 -12.677 0.915 -14.220 1.00 0.00 C ATOM 108 CD GLN A 8 -12.945 2.368 -14.616 1.00 0.00 C ATOM 109 OE1 GLN A 8 -13.817 3.009 -14.064 1.00 0.00 O ATOM 110 NE2 GLN A 8 -12.226 2.920 -15.556 1.00 0.00 N ATOM 0 H GLN A 8 -14.135 -1.553 -15.221 1.00 0.00 H new ATOM 0 HA GLN A 8 -11.260 -1.746 -15.797 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -11.573 0.543 -16.041 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -13.261 0.083 -16.128 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -13.539 0.506 -13.693 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -11.831 0.864 -13.535 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -11.494 2.383 -16.020 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -12.397 3.889 -15.826 1.00 0.00 H new ATOM 119 N ILE A 9 -12.226 -1.275 -12.696 1.00 0.00 N ATOM 120 CA ILE A 9 -11.720 -1.373 -11.301 1.00 0.00 C ATOM 121 C ILE A 9 -11.033 -2.721 -11.099 1.00 0.00 C ATOM 122 O ILE A 9 -9.850 -2.790 -10.842 1.00 0.00 O ATOM 123 CB ILE A 9 -12.963 -1.279 -10.421 1.00 0.00 C ATOM 124 CG1 ILE A 9 -13.657 0.064 -10.655 1.00 0.00 C ATOM 125 CG2 ILE A 9 -12.555 -1.396 -8.953 1.00 0.00 C ATOM 126 CD1 ILE A 9 -15.130 -0.053 -10.264 1.00 0.00 C ATOM 0 H ILE A 9 -13.220 -1.063 -12.783 1.00 0.00 H new ATOM 0 HA ILE A 9 -10.994 -0.595 -11.065 1.00 0.00 H new ATOM 0 HB ILE A 9 -13.649 -2.087 -10.673 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -13.174 0.844 -10.066 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -13.569 0.354 -11.702 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -13.442 -1.329 -8.323 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -12.063 -2.355 -8.787 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -11.869 -0.588 -8.701 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -15.627 0.903 -10.430 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -15.608 -0.821 -10.872 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -15.207 -0.324 -9.211 1.00 0.00 H new ATOM 138 N ALA A 10 -11.768 -3.793 -11.220 1.00 0.00 N ATOM 139 CA ALA A 10 -11.151 -5.139 -11.041 1.00 0.00 C ATOM 140 C ALA A 10 -9.797 -5.185 -11.753 1.00 0.00 C ATOM 141 O ALA A 10 -8.802 -5.614 -11.199 1.00 0.00 O ATOM 142 CB ALA A 10 -12.133 -6.117 -11.686 1.00 0.00 C ATOM 0 H ALA A 10 -12.765 -3.796 -11.434 1.00 0.00 H new ATOM 0 HA ALA A 10 -10.973 -5.381 -9.993 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -11.748 -7.133 -11.595 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -13.098 -6.048 -11.184 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -12.254 -5.869 -12.740 1.00 0.00 H new ATOM 148 N GLU A 11 -9.752 -4.731 -12.976 1.00 0.00 N ATOM 149 CA GLU A 11 -8.462 -4.735 -13.723 1.00 0.00 C ATOM 150 C GLU A 11 -7.449 -3.851 -12.995 1.00 0.00 C ATOM 151 O GLU A 11 -6.309 -4.224 -12.797 1.00 0.00 O ATOM 152 CB GLU A 11 -8.796 -4.156 -15.097 1.00 0.00 C ATOM 153 CG GLU A 11 -7.540 -4.160 -15.971 1.00 0.00 C ATOM 154 CD GLU A 11 -7.940 -4.314 -17.439 1.00 0.00 C ATOM 155 OE1 GLU A 11 -9.130 -4.319 -17.711 1.00 0.00 O ATOM 156 OE2 GLU A 11 -7.051 -4.425 -18.268 1.00 0.00 O ATOM 0 H GLU A 11 -10.551 -4.358 -13.489 1.00 0.00 H new ATOM 0 HA GLU A 11 -8.025 -5.730 -13.804 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -9.583 -4.744 -15.570 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -9.176 -3.140 -14.993 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -6.983 -3.234 -15.830 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -6.881 -4.976 -15.675 1.00 0.00 H new ATOM 163 N PHE A 12 -7.862 -2.683 -12.585 1.00 0.00 N ATOM 164 CA PHE A 12 -6.931 -1.777 -11.859 1.00 0.00 C ATOM 165 C PHE A 12 -6.449 -2.457 -10.577 1.00 0.00 C ATOM 166 O PHE A 12 -5.268 -2.512 -10.298 1.00 0.00 O ATOM 167 CB PHE A 12 -7.761 -0.535 -11.535 1.00 0.00 C ATOM 168 CG PHE A 12 -7.994 0.255 -12.801 1.00 0.00 C ATOM 169 CD1 PHE A 12 -6.911 0.595 -13.619 1.00 0.00 C ATOM 170 CD2 PHE A 12 -9.291 0.648 -13.157 1.00 0.00 C ATOM 171 CE1 PHE A 12 -7.121 1.329 -14.793 1.00 0.00 C ATOM 172 CE2 PHE A 12 -9.501 1.382 -14.332 1.00 0.00 C ATOM 173 CZ PHE A 12 -8.417 1.723 -15.148 1.00 0.00 C ATOM 0 H PHE A 12 -8.804 -2.318 -12.722 1.00 0.00 H new ATOM 0 HA PHE A 12 -6.045 -1.527 -12.443 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -8.714 -0.826 -11.094 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -7.244 0.080 -10.799 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -5.912 0.291 -13.345 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -10.128 0.386 -12.527 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -6.284 1.591 -15.424 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -10.500 1.685 -14.608 1.00 0.00 H new ATOM 0 HZ PHE A 12 -8.580 2.291 -16.052 1.00 0.00 H new ATOM 183 N LYS A 13 -7.358 -2.984 -9.801 1.00 0.00 N ATOM 184 CA LYS A 13 -6.959 -3.674 -8.543 1.00 0.00 C ATOM 185 C LYS A 13 -5.729 -4.540 -8.809 1.00 0.00 C ATOM 186 O LYS A 13 -4.716 -4.418 -8.149 1.00 0.00 O ATOM 187 CB LYS A 13 -8.159 -4.543 -8.165 1.00 0.00 C ATOM 188 CG LYS A 13 -9.047 -3.786 -7.176 1.00 0.00 C ATOM 189 CD LYS A 13 -9.857 -4.786 -6.349 1.00 0.00 C ATOM 190 CE LYS A 13 -10.928 -4.040 -5.550 1.00 0.00 C ATOM 191 NZ LYS A 13 -12.049 -5.010 -5.410 1.00 0.00 N ATOM 0 H LYS A 13 -8.361 -2.966 -9.986 1.00 0.00 H new ATOM 0 HA LYS A 13 -6.703 -2.978 -7.744 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -8.729 -4.802 -9.057 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -7.818 -5.479 -7.722 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -8.434 -3.168 -6.520 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -9.717 -3.115 -7.713 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -10.324 -5.522 -7.004 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -9.199 -5.332 -5.673 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -10.550 -3.731 -4.576 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -11.250 -3.137 -6.068 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -12.823 -4.571 -4.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -12.393 -5.281 -6.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -11.715 -5.857 -4.907 1.00 0.00 H new ATOM 205 N GLU A 14 -5.803 -5.403 -9.785 1.00 0.00 N ATOM 206 CA GLU A 14 -4.626 -6.258 -10.102 1.00 0.00 C ATOM 207 C GLU A 14 -3.400 -5.365 -10.305 1.00 0.00 C ATOM 208 O GLU A 14 -2.335 -5.620 -9.776 1.00 0.00 O ATOM 209 CB GLU A 14 -4.992 -6.979 -11.400 1.00 0.00 C ATOM 210 CG GLU A 14 -5.546 -8.367 -11.074 1.00 0.00 C ATOM 211 CD GLU A 14 -6.326 -8.901 -12.276 1.00 0.00 C ATOM 212 OE1 GLU A 14 -6.873 -8.094 -13.009 1.00 0.00 O ATOM 213 OE2 GLU A 14 -6.363 -10.109 -12.443 1.00 0.00 O ATOM 0 H GLU A 14 -6.623 -5.552 -10.373 1.00 0.00 H new ATOM 0 HA GLU A 14 -4.390 -6.967 -9.308 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -5.732 -6.401 -11.953 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -4.114 -7.067 -12.040 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -4.731 -9.046 -10.825 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -6.195 -8.315 -10.200 1.00 0.00 H new ATOM 220 N ALA A 15 -3.550 -4.308 -11.058 1.00 0.00 N ATOM 221 CA ALA A 15 -2.401 -3.388 -11.285 1.00 0.00 C ATOM 222 C ALA A 15 -2.005 -2.726 -9.965 1.00 0.00 C ATOM 223 O ALA A 15 -0.848 -2.701 -9.596 1.00 0.00 O ATOM 224 CB ALA A 15 -2.914 -2.342 -12.276 1.00 0.00 C ATOM 0 H ALA A 15 -4.418 -4.043 -11.524 1.00 0.00 H new ATOM 0 HA ALA A 15 -1.521 -3.906 -11.667 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -2.121 -1.627 -12.493 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -3.221 -2.835 -13.199 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -3.767 -1.818 -11.844 1.00 0.00 H new ATOM 230 N PHE A 16 -2.959 -2.198 -9.245 1.00 0.00 N ATOM 231 CA PHE A 16 -2.629 -1.551 -7.944 1.00 0.00 C ATOM 232 C PHE A 16 -1.733 -2.479 -7.125 1.00 0.00 C ATOM 233 O PHE A 16 -0.619 -2.136 -6.778 1.00 0.00 O ATOM 234 CB PHE A 16 -3.969 -1.348 -7.236 1.00 0.00 C ATOM 235 CG PHE A 16 -3.713 -0.988 -5.793 1.00 0.00 C ATOM 236 CD1 PHE A 16 -3.327 0.314 -5.454 1.00 0.00 C ATOM 237 CD2 PHE A 16 -3.852 -1.958 -4.793 1.00 0.00 C ATOM 238 CE1 PHE A 16 -3.083 0.647 -4.116 1.00 0.00 C ATOM 239 CE2 PHE A 16 -3.609 -1.626 -3.455 1.00 0.00 C ATOM 240 CZ PHE A 16 -3.224 -0.323 -3.117 1.00 0.00 C ATOM 0 H PHE A 16 -3.946 -2.187 -9.500 1.00 0.00 H new ATOM 0 HA PHE A 16 -2.098 -0.608 -8.075 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -4.538 -0.558 -7.726 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -4.568 -2.256 -7.297 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -3.217 1.062 -6.225 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -4.147 -2.964 -5.054 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -2.786 1.652 -3.855 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -3.718 -2.374 -2.684 1.00 0.00 H new ATOM 0 HZ PHE A 16 -3.036 -0.066 -2.085 1.00 0.00 H new ATOM 250 N ALA A 17 -2.208 -3.655 -6.820 1.00 0.00 N ATOM 251 CA ALA A 17 -1.379 -4.608 -6.031 1.00 0.00 C ATOM 252 C ALA A 17 0.049 -4.610 -6.577 1.00 0.00 C ATOM 253 O ALA A 17 1.005 -4.479 -5.839 1.00 0.00 O ATOM 254 CB ALA A 17 -2.038 -5.972 -6.232 1.00 0.00 C ATOM 0 H ALA A 17 -3.133 -3.996 -7.083 1.00 0.00 H new ATOM 0 HA ALA A 17 -1.323 -4.345 -4.975 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -1.482 -6.730 -5.679 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -3.065 -5.937 -5.868 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -2.038 -6.224 -7.293 1.00 0.00 H new ATOM 260 N LEU A 18 0.200 -4.745 -7.867 1.00 0.00 N ATOM 261 CA LEU A 18 1.569 -4.739 -8.454 1.00 0.00 C ATOM 262 C LEU A 18 2.378 -3.593 -7.845 1.00 0.00 C ATOM 263 O LEU A 18 3.522 -3.756 -7.470 1.00 0.00 O ATOM 264 CB LEU A 18 1.360 -4.515 -9.952 1.00 0.00 C ATOM 265 CG LEU A 18 2.663 -4.807 -10.699 1.00 0.00 C ATOM 266 CD1 LEU A 18 3.706 -3.748 -10.339 1.00 0.00 C ATOM 267 CD2 LEU A 18 3.181 -6.189 -10.296 1.00 0.00 C ATOM 0 H LEU A 18 -0.562 -4.859 -8.536 1.00 0.00 H new ATOM 0 HA LEU A 18 2.114 -5.663 -8.260 1.00 0.00 H new ATOM 0 HB2 LEU A 18 0.565 -5.163 -10.320 1.00 0.00 H new ATOM 0 HB3 LEU A 18 1.045 -3.488 -10.136 1.00 0.00 H new ATOM 0 HG LEU A 18 2.479 -4.785 -11.773 1.00 0.00 H new ATOM 0 HD11 LEU A 18 4.634 -3.956 -10.871 1.00 0.00 H new ATOM 0 HD12 LEU A 18 3.337 -2.763 -10.624 1.00 0.00 H new ATOM 0 HD13 LEU A 18 3.891 -3.770 -9.265 1.00 0.00 H new ATOM 0 HD21 LEU A 18 4.109 -6.399 -10.827 1.00 0.00 H new ATOM 0 HD22 LEU A 18 3.365 -6.210 -9.222 1.00 0.00 H new ATOM 0 HD23 LEU A 18 2.438 -6.945 -10.551 1.00 0.00 H new ATOM 279 N PHE A 19 1.783 -2.436 -7.733 1.00 0.00 N ATOM 280 CA PHE A 19 2.507 -1.280 -7.134 1.00 0.00 C ATOM 281 C PHE A 19 2.718 -1.527 -5.637 1.00 0.00 C ATOM 282 O PHE A 19 3.818 -1.436 -5.130 1.00 0.00 O ATOM 283 CB PHE A 19 1.592 -0.075 -7.357 1.00 0.00 C ATOM 284 CG PHE A 19 1.242 0.032 -8.824 1.00 0.00 C ATOM 285 CD1 PHE A 19 2.173 -0.351 -9.796 1.00 0.00 C ATOM 286 CD2 PHE A 19 -0.014 0.519 -9.211 1.00 0.00 C ATOM 287 CE1 PHE A 19 1.849 -0.248 -11.154 1.00 0.00 C ATOM 288 CE2 PHE A 19 -0.337 0.621 -10.569 1.00 0.00 C ATOM 289 CZ PHE A 19 0.595 0.238 -11.540 1.00 0.00 C ATOM 0 H PHE A 19 0.827 -2.242 -8.031 1.00 0.00 H new ATOM 0 HA PHE A 19 3.490 -1.125 -7.580 1.00 0.00 H new ATOM 0 HB2 PHE A 19 0.684 -0.180 -6.763 1.00 0.00 H new ATOM 0 HB3 PHE A 19 2.087 0.837 -7.024 1.00 0.00 H new ATOM 0 HD1 PHE A 19 3.141 -0.726 -9.499 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -0.733 0.816 -8.461 1.00 0.00 H new ATOM 0 HE1 PHE A 19 2.567 -0.544 -11.904 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -1.305 0.995 -10.867 1.00 0.00 H new ATOM 0 HZ PHE A 19 0.346 0.318 -12.588 1.00 0.00 H new ATOM 299 N ASP A 20 1.668 -1.846 -4.930 1.00 0.00 N ATOM 300 CA ASP A 20 1.802 -2.109 -3.468 1.00 0.00 C ATOM 301 C ASP A 20 2.549 -3.427 -3.241 1.00 0.00 C ATOM 302 O ASP A 20 1.977 -4.411 -2.817 1.00 0.00 O ATOM 303 CB ASP A 20 0.366 -2.214 -2.951 1.00 0.00 C ATOM 304 CG ASP A 20 0.377 -2.728 -1.510 1.00 0.00 C ATOM 305 OD1 ASP A 20 1.412 -2.623 -0.873 1.00 0.00 O ATOM 306 OD2 ASP A 20 -0.649 -3.219 -1.069 1.00 0.00 O ATOM 0 H ASP A 20 0.722 -1.936 -5.302 1.00 0.00 H new ATOM 0 HA ASP A 20 2.363 -1.328 -2.955 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -0.120 -1.239 -2.997 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -0.211 -2.888 -3.584 1.00 0.00 H new ATOM 311 N LYS A 21 3.822 -3.454 -3.526 1.00 0.00 N ATOM 312 CA LYS A 21 4.606 -4.710 -3.332 1.00 0.00 C ATOM 313 C LYS A 21 4.270 -5.349 -1.981 1.00 0.00 C ATOM 314 O LYS A 21 4.429 -6.539 -1.793 1.00 0.00 O ATOM 315 CB LYS A 21 6.069 -4.272 -3.369 1.00 0.00 C ATOM 316 CG LYS A 21 6.260 -3.053 -2.465 1.00 0.00 C ATOM 317 CD LYS A 21 7.633 -3.127 -1.792 1.00 0.00 C ATOM 318 CE LYS A 21 8.708 -3.383 -2.851 1.00 0.00 C ATOM 319 NZ LYS A 21 9.196 -4.763 -2.577 1.00 0.00 N ATOM 0 H LYS A 21 4.355 -2.662 -3.885 1.00 0.00 H new ATOM 0 HA LYS A 21 4.382 -5.455 -4.095 1.00 0.00 H new ATOM 0 HB2 LYS A 21 6.712 -5.088 -3.038 1.00 0.00 H new ATOM 0 HB3 LYS A 21 6.361 -4.030 -4.391 1.00 0.00 H new ATOM 0 HG2 LYS A 21 6.179 -2.137 -3.050 1.00 0.00 H new ATOM 0 HG3 LYS A 21 5.474 -3.020 -1.710 1.00 0.00 H new ATOM 0 HD2 LYS A 21 7.842 -2.196 -1.264 1.00 0.00 H new ATOM 0 HD3 LYS A 21 7.643 -3.924 -1.049 1.00 0.00 H new ATOM 0 HE2 LYS A 21 8.298 -3.302 -3.858 1.00 0.00 H new ATOM 0 HE3 LYS A 21 9.517 -2.656 -2.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 10.044 -4.719 -1.976 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 8.453 -5.303 -2.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 9.432 -5.232 -3.475 1.00 0.00 H new ATOM 333 N ASP A 22 3.810 -4.573 -1.039 1.00 0.00 N ATOM 334 CA ASP A 22 3.470 -5.145 0.296 1.00 0.00 C ATOM 335 C ASP A 22 2.060 -5.740 0.270 1.00 0.00 C ATOM 336 O ASP A 22 1.693 -6.533 1.115 1.00 0.00 O ATOM 337 CB ASP A 22 3.538 -3.966 1.268 1.00 0.00 C ATOM 338 CG ASP A 22 4.780 -3.123 0.968 1.00 0.00 C ATOM 339 OD1 ASP A 22 5.816 -3.707 0.693 1.00 0.00 O ATOM 340 OD2 ASP A 22 4.674 -1.909 1.020 1.00 0.00 O ATOM 0 H ASP A 22 3.655 -3.569 -1.135 1.00 0.00 H new ATOM 0 HA ASP A 22 4.149 -5.947 0.586 1.00 0.00 H new ATOM 0 HB2 ASP A 22 2.640 -3.354 1.177 1.00 0.00 H new ATOM 0 HB3 ASP A 22 3.573 -4.330 2.295 1.00 0.00 H new ATOM 345 N ASN A 23 1.267 -5.365 -0.696 1.00 0.00 N ATOM 346 CA ASN A 23 -0.120 -5.908 -0.779 1.00 0.00 C ATOM 347 C ASN A 23 -0.933 -5.469 0.441 1.00 0.00 C ATOM 348 O ASN A 23 -1.975 -6.023 0.734 1.00 0.00 O ATOM 349 CB ASN A 23 0.035 -7.428 -0.783 1.00 0.00 C ATOM 350 CG ASN A 23 1.235 -7.830 -1.645 1.00 0.00 C ATOM 351 OD1 ASN A 23 1.218 -7.660 -2.849 1.00 0.00 O ATOM 352 ND2 ASN A 23 2.282 -8.362 -1.077 1.00 0.00 N ATOM 0 H ASN A 23 1.519 -4.706 -1.432 1.00 0.00 H new ATOM 0 HA ASN A 23 -0.642 -5.549 -1.666 1.00 0.00 H new ATOM 0 HB2 ASN A 23 0.171 -7.791 0.236 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -0.872 -7.893 -1.168 1.00 0.00 H new ATOM 0 HD21 ASN A 23 3.086 -8.635 -1.643 1.00 0.00 H new ATOM 0 HD22 ASN A 23 2.297 -8.505 -0.067 1.00 0.00 H new ATOM 359 N ASN A 24 -0.470 -4.478 1.152 1.00 0.00 N ATOM 360 CA ASN A 24 -1.225 -4.006 2.347 1.00 0.00 C ATOM 361 C ASN A 24 -2.403 -3.134 1.909 1.00 0.00 C ATOM 362 O ASN A 24 -3.076 -2.527 2.720 1.00 0.00 O ATOM 363 CB ASN A 24 -0.223 -3.177 3.155 1.00 0.00 C ATOM 364 CG ASN A 24 1.119 -3.908 3.216 1.00 0.00 C ATOM 365 OD1 ASN A 24 2.151 -3.293 3.391 1.00 0.00 O ATOM 366 ND2 ASN A 24 1.148 -5.206 3.078 1.00 0.00 N ATOM 0 H ASN A 24 0.396 -3.976 0.958 1.00 0.00 H new ATOM 0 HA ASN A 24 -1.632 -4.832 2.930 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -0.094 -2.197 2.696 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -0.603 -3.010 4.163 1.00 0.00 H new ATOM 0 HD21 ASN A 24 2.038 -5.703 3.117 1.00 0.00 H new ATOM 0 HD22 ASN A 24 0.281 -5.723 2.931 1.00 0.00 H new ATOM 373 N GLY A 25 -2.656 -3.061 0.631 1.00 0.00 N ATOM 374 CA GLY A 25 -3.786 -2.222 0.141 1.00 0.00 C ATOM 375 C GLY A 25 -3.351 -0.758 0.116 1.00 0.00 C ATOM 376 O GLY A 25 -4.158 0.139 -0.020 1.00 0.00 O ATOM 0 H GLY A 25 -2.129 -3.546 -0.095 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -4.086 -2.542 -0.857 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -4.654 -2.345 0.789 1.00 0.00 H new ATOM 380 N SER A 26 -2.076 -0.510 0.246 1.00 0.00 N ATOM 381 CA SER A 26 -1.582 0.895 0.228 1.00 0.00 C ATOM 382 C SER A 26 -0.246 0.972 -0.516 1.00 0.00 C ATOM 383 O SER A 26 0.517 0.027 -0.541 1.00 0.00 O ATOM 384 CB SER A 26 -1.406 1.271 1.700 1.00 0.00 C ATOM 385 OG SER A 26 -0.019 1.316 2.013 1.00 0.00 O ATOM 0 H SER A 26 -1.355 -1.221 0.364 1.00 0.00 H new ATOM 0 HA SER A 26 -2.268 1.571 -0.283 1.00 0.00 H new ATOM 0 HB2 SER A 26 -1.866 2.239 1.897 1.00 0.00 H new ATOM 0 HB3 SER A 26 -1.910 0.543 2.336 1.00 0.00 H new ATOM 0 HG SER A 26 0.096 1.558 2.956 1.00 0.00 H new ATOM 391 N ILE A 27 0.042 2.090 -1.123 1.00 0.00 N ATOM 392 CA ILE A 27 1.326 2.226 -1.867 1.00 0.00 C ATOM 393 C ILE A 27 2.169 3.351 -1.251 1.00 0.00 C ATOM 394 O ILE A 27 1.709 4.093 -0.407 1.00 0.00 O ATOM 395 CB ILE A 27 0.905 2.561 -3.304 1.00 0.00 C ATOM 396 CG1 ILE A 27 0.713 1.265 -4.090 1.00 0.00 C ATOM 397 CG2 ILE A 27 1.978 3.410 -3.996 1.00 0.00 C ATOM 398 CD1 ILE A 27 -0.480 1.419 -5.036 1.00 0.00 C ATOM 0 H ILE A 27 -0.557 2.916 -1.136 1.00 0.00 H new ATOM 0 HA ILE A 27 1.940 1.326 -1.829 1.00 0.00 H new ATOM 0 HB ILE A 27 -0.027 3.125 -3.272 1.00 0.00 H new ATOM 0 HG12 ILE A 27 1.614 1.034 -4.658 1.00 0.00 H new ATOM 0 HG13 ILE A 27 0.545 0.433 -3.406 1.00 0.00 H new ATOM 0 HG21 ILE A 27 1.661 3.637 -5.014 1.00 0.00 H new ATOM 0 HG22 ILE A 27 2.119 4.339 -3.444 1.00 0.00 H new ATOM 0 HG23 ILE A 27 2.917 2.858 -4.023 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -0.620 0.496 -5.599 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -1.379 1.631 -4.457 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -0.292 2.240 -5.728 1.00 0.00 H new ATOM 410 N SER A 28 3.396 3.480 -1.671 1.00 0.00 N ATOM 411 CA SER A 28 4.267 4.554 -1.113 1.00 0.00 C ATOM 412 C SER A 28 5.398 4.876 -2.093 1.00 0.00 C ATOM 413 O SER A 28 5.234 4.799 -3.294 1.00 0.00 O ATOM 414 CB SER A 28 4.829 3.974 0.185 1.00 0.00 C ATOM 415 OG SER A 28 5.779 2.963 -0.125 1.00 0.00 O ATOM 0 H SER A 28 3.835 2.888 -2.377 1.00 0.00 H new ATOM 0 HA SER A 28 3.722 5.482 -0.940 1.00 0.00 H new ATOM 0 HB2 SER A 28 5.298 4.761 0.775 1.00 0.00 H new ATOM 0 HB3 SER A 28 4.023 3.559 0.790 1.00 0.00 H new ATOM 0 HG SER A 28 6.142 2.590 0.705 1.00 0.00 H new ATOM 421 N SER A 29 6.546 5.237 -1.588 1.00 0.00 N ATOM 422 CA SER A 29 7.686 5.565 -2.491 1.00 0.00 C ATOM 423 C SER A 29 8.242 4.287 -3.127 1.00 0.00 C ATOM 424 O SER A 29 7.803 3.862 -4.177 1.00 0.00 O ATOM 425 CB SER A 29 8.732 6.216 -1.588 1.00 0.00 C ATOM 426 OG SER A 29 8.488 5.839 -0.240 1.00 0.00 O ATOM 0 H SER A 29 6.744 5.319 -0.591 1.00 0.00 H new ATOM 0 HA SER A 29 7.390 6.222 -3.309 1.00 0.00 H new ATOM 0 HB2 SER A 29 9.733 5.906 -1.889 1.00 0.00 H new ATOM 0 HB3 SER A 29 8.691 7.301 -1.688 1.00 0.00 H new ATOM 0 HG SER A 29 9.159 6.254 0.342 1.00 0.00 H new ATOM 432 N SER A 30 9.208 3.670 -2.501 1.00 0.00 N ATOM 433 CA SER A 30 9.791 2.422 -3.072 1.00 0.00 C ATOM 434 C SER A 30 8.675 1.487 -3.548 1.00 0.00 C ATOM 435 O SER A 30 8.858 0.701 -4.457 1.00 0.00 O ATOM 436 CB SER A 30 10.568 1.785 -1.921 1.00 0.00 C ATOM 437 OG SER A 30 11.060 2.807 -1.064 1.00 0.00 O ATOM 0 H SER A 30 9.618 3.976 -1.619 1.00 0.00 H new ATOM 0 HA SER A 30 10.429 2.621 -3.933 1.00 0.00 H new ATOM 0 HB2 SER A 30 9.923 1.106 -1.363 1.00 0.00 H new ATOM 0 HB3 SER A 30 11.395 1.191 -2.310 1.00 0.00 H new ATOM 0 HG SER A 30 11.558 2.402 -0.323 1.00 0.00 H new ATOM 443 N GLU A 31 7.523 1.566 -2.941 1.00 0.00 N ATOM 444 CA GLU A 31 6.398 0.681 -3.359 1.00 0.00 C ATOM 445 C GLU A 31 5.980 0.995 -4.798 1.00 0.00 C ATOM 446 O GLU A 31 6.242 0.235 -5.709 1.00 0.00 O ATOM 447 CB GLU A 31 5.262 1.001 -2.388 1.00 0.00 C ATOM 448 CG GLU A 31 5.227 -0.051 -1.277 1.00 0.00 C ATOM 449 CD GLU A 31 3.889 0.032 -0.539 1.00 0.00 C ATOM 450 OE1 GLU A 31 2.917 -0.494 -1.055 1.00 0.00 O ATOM 451 OE2 GLU A 31 3.861 0.619 0.530 1.00 0.00 O ATOM 0 H GLU A 31 7.312 2.204 -2.174 1.00 0.00 H new ATOM 0 HA GLU A 31 6.672 -0.374 -3.334 1.00 0.00 H new ATOM 0 HB2 GLU A 31 5.405 1.993 -1.959 1.00 0.00 H new ATOM 0 HB3 GLU A 31 4.310 1.017 -2.918 1.00 0.00 H new ATOM 0 HG2 GLU A 31 5.360 -1.047 -1.700 1.00 0.00 H new ATOM 0 HG3 GLU A 31 6.050 0.112 -0.581 1.00 0.00 H new ATOM 458 N LEU A 32 5.331 2.107 -5.009 1.00 0.00 N ATOM 459 CA LEU A 32 4.895 2.464 -6.391 1.00 0.00 C ATOM 460 C LEU A 32 6.114 2.656 -7.298 1.00 0.00 C ATOM 461 O LEU A 32 6.014 2.601 -8.508 1.00 0.00 O ATOM 462 CB LEU A 32 4.129 3.778 -6.238 1.00 0.00 C ATOM 463 CG LEU A 32 2.797 3.680 -6.983 1.00 0.00 C ATOM 464 CD1 LEU A 32 2.053 5.012 -6.877 1.00 0.00 C ATOM 465 CD2 LEU A 32 3.059 3.359 -8.456 1.00 0.00 C ATOM 0 H LEU A 32 5.084 2.783 -4.287 1.00 0.00 H new ATOM 0 HA LEU A 32 4.282 1.685 -6.844 1.00 0.00 H new ATOM 0 HB2 LEU A 32 3.953 3.988 -5.183 1.00 0.00 H new ATOM 0 HB3 LEU A 32 4.720 4.604 -6.634 1.00 0.00 H new ATOM 0 HG LEU A 32 2.191 2.889 -6.540 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.104 4.942 -7.408 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.866 5.242 -5.828 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.658 5.803 -7.319 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.110 3.289 -8.988 1.00 0.00 H new ATOM 0 HD22 LEU A 32 3.665 4.149 -8.898 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.589 2.409 -8.533 1.00 0.00 H new ATOM 477 N ALA A 33 7.264 2.878 -6.723 1.00 0.00 N ATOM 478 CA ALA A 33 8.487 3.071 -7.554 1.00 0.00 C ATOM 479 C ALA A 33 8.990 1.723 -8.077 1.00 0.00 C ATOM 480 O ALA A 33 9.689 1.652 -9.069 1.00 0.00 O ATOM 481 CB ALA A 33 9.514 3.693 -6.607 1.00 0.00 C ATOM 0 H ALA A 33 7.410 2.934 -5.715 1.00 0.00 H new ATOM 0 HA ALA A 33 8.299 3.700 -8.424 1.00 0.00 H new ATOM 0 HB1 ALA A 33 10.446 3.867 -7.145 1.00 0.00 H new ATOM 0 HB2 ALA A 33 9.132 4.641 -6.227 1.00 0.00 H new ATOM 0 HB3 ALA A 33 9.697 3.015 -5.773 1.00 0.00 H new ATOM 487 N THR A 34 8.638 0.652 -7.419 1.00 0.00 N ATOM 488 CA THR A 34 9.096 -0.691 -7.879 1.00 0.00 C ATOM 489 C THR A 34 8.324 -1.117 -9.131 1.00 0.00 C ATOM 490 O THR A 34 7.737 -2.180 -9.177 1.00 0.00 O ATOM 491 CB THR A 34 8.792 -1.632 -6.713 1.00 0.00 C ATOM 492 OG1 THR A 34 9.569 -1.254 -5.586 1.00 0.00 O ATOM 493 CG2 THR A 34 9.132 -3.069 -7.111 1.00 0.00 C ATOM 0 H THR A 34 8.053 0.648 -6.583 1.00 0.00 H new ATOM 0 HA THR A 34 10.153 -0.698 -8.144 1.00 0.00 H new ATOM 0 HB THR A 34 7.733 -1.569 -6.462 1.00 0.00 H new ATOM 0 HG1 THR A 34 9.076 -0.594 -5.055 1.00 0.00 H new ATOM 0 HG21 THR A 34 8.915 -3.738 -6.279 1.00 0.00 H new ATOM 0 HG22 THR A 34 8.534 -3.358 -7.975 1.00 0.00 H new ATOM 0 HG23 THR A 34 10.190 -3.136 -7.364 1.00 0.00 H new ATOM 501 N VAL A 35 8.323 -0.298 -10.148 1.00 0.00 N ATOM 502 CA VAL A 35 7.590 -0.659 -11.396 1.00 0.00 C ATOM 503 C VAL A 35 8.460 -0.365 -12.621 1.00 0.00 C ATOM 504 O VAL A 35 8.041 -0.539 -13.748 1.00 0.00 O ATOM 505 CB VAL A 35 6.344 0.226 -11.397 1.00 0.00 C ATOM 506 CG1 VAL A 35 5.403 -0.216 -12.519 1.00 0.00 C ATOM 507 CG2 VAL A 35 5.626 0.097 -10.050 1.00 0.00 C ATOM 0 H VAL A 35 8.798 0.605 -10.169 1.00 0.00 H new ATOM 0 HA VAL A 35 7.335 -1.718 -11.433 1.00 0.00 H new ATOM 0 HB VAL A 35 6.637 1.264 -11.557 1.00 0.00 H new ATOM 0 HG11 VAL A 35 4.515 0.416 -12.519 1.00 0.00 H new ATOM 0 HG12 VAL A 35 5.913 -0.125 -13.478 1.00 0.00 H new ATOM 0 HG13 VAL A 35 5.110 -1.254 -12.361 1.00 0.00 H new ATOM 0 HG21 VAL A 35 4.737 0.728 -10.050 1.00 0.00 H new ATOM 0 HG22 VAL A 35 5.334 -0.941 -9.891 1.00 0.00 H new ATOM 0 HG23 VAL A 35 6.295 0.412 -9.249 1.00 0.00 H new ATOM 639 N SER A 44 14.014 6.913 -9.042 1.00 0.00 N ATOM 640 CA SER A 44 14.627 7.920 -8.129 1.00 0.00 C ATOM 641 C SER A 44 13.535 8.624 -7.319 1.00 0.00 C ATOM 642 O SER A 44 12.442 8.836 -7.801 1.00 0.00 O ATOM 643 CB SER A 44 15.344 8.915 -9.043 1.00 0.00 C ATOM 644 OG SER A 44 15.746 8.249 -10.234 1.00 0.00 O ATOM 0 HA SER A 44 15.314 7.464 -7.416 1.00 0.00 H new ATOM 0 HB2 SER A 44 14.683 9.748 -9.283 1.00 0.00 H new ATOM 0 HB3 SER A 44 16.213 9.333 -8.535 1.00 0.00 H new ATOM 0 HG SER A 44 15.165 7.475 -10.388 1.00 0.00 H new ATOM 650 N GLU A 45 13.825 8.974 -6.091 1.00 0.00 N ATOM 651 CA GLU A 45 12.810 9.658 -5.230 1.00 0.00 C ATOM 652 C GLU A 45 11.925 10.585 -6.067 1.00 0.00 C ATOM 653 O GLU A 45 10.717 10.577 -5.946 1.00 0.00 O ATOM 654 CB GLU A 45 13.629 10.466 -4.223 1.00 0.00 C ATOM 655 CG GLU A 45 12.691 11.326 -3.374 1.00 0.00 C ATOM 656 CD GLU A 45 12.334 10.575 -2.089 1.00 0.00 C ATOM 657 OE1 GLU A 45 11.564 9.633 -2.171 1.00 0.00 O ATOM 658 OE2 GLU A 45 12.837 10.957 -1.045 1.00 0.00 O ATOM 0 H GLU A 45 14.728 8.814 -5.644 1.00 0.00 H new ATOM 0 HA GLU A 45 12.142 8.947 -4.743 1.00 0.00 H new ATOM 0 HB2 GLU A 45 14.203 9.795 -3.584 1.00 0.00 H new ATOM 0 HB3 GLU A 45 14.346 11.099 -4.746 1.00 0.00 H new ATOM 0 HG2 GLU A 45 13.169 12.275 -3.132 1.00 0.00 H new ATOM 0 HG3 GLU A 45 11.786 11.559 -3.935 1.00 0.00 H new ATOM 665 N ALA A 46 12.511 11.379 -6.920 1.00 0.00 N ATOM 666 CA ALA A 46 11.689 12.293 -7.763 1.00 0.00 C ATOM 667 C ALA A 46 10.522 11.517 -8.377 1.00 0.00 C ATOM 668 O ALA A 46 9.374 11.890 -8.239 1.00 0.00 O ATOM 669 CB ALA A 46 12.638 12.791 -8.851 1.00 0.00 C ATOM 0 H ALA A 46 13.518 11.435 -7.070 1.00 0.00 H new ATOM 0 HA ALA A 46 11.263 13.119 -7.193 1.00 0.00 H new ATOM 0 HB1 ALA A 46 12.105 13.472 -9.515 1.00 0.00 H new ATOM 0 HB2 ALA A 46 13.476 13.314 -8.391 1.00 0.00 H new ATOM 0 HB3 ALA A 46 13.011 11.943 -9.425 1.00 0.00 H new ATOM 675 N GLU A 47 10.806 10.434 -9.047 1.00 0.00 N ATOM 676 CA GLU A 47 9.715 9.627 -9.662 1.00 0.00 C ATOM 677 C GLU A 47 9.010 8.803 -8.583 1.00 0.00 C ATOM 678 O GLU A 47 7.800 8.683 -8.565 1.00 0.00 O ATOM 679 CB GLU A 47 10.418 8.708 -10.662 1.00 0.00 C ATOM 680 CG GLU A 47 11.219 9.551 -11.656 1.00 0.00 C ATOM 681 CD GLU A 47 10.258 10.285 -12.595 1.00 0.00 C ATOM 682 OE1 GLU A 47 9.670 11.262 -12.163 1.00 0.00 O ATOM 683 OE2 GLU A 47 10.129 9.856 -13.730 1.00 0.00 O ATOM 0 H GLU A 47 11.748 10.073 -9.195 1.00 0.00 H new ATOM 0 HA GLU A 47 8.958 10.246 -10.143 1.00 0.00 H new ATOM 0 HB2 GLU A 47 11.080 8.020 -10.136 1.00 0.00 H new ATOM 0 HB3 GLU A 47 9.684 8.101 -11.192 1.00 0.00 H new ATOM 0 HG2 GLU A 47 11.841 10.269 -11.122 1.00 0.00 H new ATOM 0 HG3 GLU A 47 11.890 8.914 -12.231 1.00 0.00 H new ATOM 690 N VAL A 48 9.761 8.243 -7.676 1.00 0.00 N ATOM 691 CA VAL A 48 9.146 7.434 -6.586 1.00 0.00 C ATOM 692 C VAL A 48 8.125 8.283 -5.832 1.00 0.00 C ATOM 693 O VAL A 48 6.937 8.034 -5.868 1.00 0.00 O ATOM 694 CB VAL A 48 10.311 7.073 -5.663 1.00 0.00 C ATOM 695 CG1 VAL A 48 9.843 6.072 -4.609 1.00 0.00 C ATOM 696 CG2 VAL A 48 11.440 6.452 -6.484 1.00 0.00 C ATOM 0 H VAL A 48 10.778 8.311 -7.642 1.00 0.00 H new ATOM 0 HA VAL A 48 8.628 6.551 -6.960 1.00 0.00 H new ATOM 0 HB VAL A 48 10.671 7.976 -5.170 1.00 0.00 H new ATOM 0 HG11 VAL A 48 10.676 5.818 -3.954 1.00 0.00 H new ATOM 0 HG12 VAL A 48 9.039 6.513 -4.020 1.00 0.00 H new ATOM 0 HG13 VAL A 48 9.479 5.170 -5.100 1.00 0.00 H new ATOM 0 HG21 VAL A 48 12.270 6.195 -5.826 1.00 0.00 H new ATOM 0 HG22 VAL A 48 11.077 5.551 -6.979 1.00 0.00 H new ATOM 0 HG23 VAL A 48 11.780 7.166 -7.234 1.00 0.00 H new ATOM 706 N ASN A 49 8.593 9.288 -5.151 1.00 0.00 N ATOM 707 CA ASN A 49 7.680 10.178 -4.387 1.00 0.00 C ATOM 708 C ASN A 49 6.625 10.780 -5.325 1.00 0.00 C ATOM 709 O ASN A 49 5.456 10.844 -5.000 1.00 0.00 O ATOM 710 CB ASN A 49 8.611 11.255 -3.823 1.00 0.00 C ATOM 711 CG ASN A 49 7.847 12.567 -3.613 1.00 0.00 C ATOM 712 OD1 ASN A 49 8.144 13.563 -4.241 1.00 0.00 O ATOM 713 ND2 ASN A 49 6.869 12.607 -2.749 1.00 0.00 N ATOM 0 H ASN A 49 9.581 9.534 -5.091 1.00 0.00 H new ATOM 0 HA ASN A 49 7.126 9.663 -3.602 1.00 0.00 H new ATOM 0 HB2 ASN A 49 9.035 10.919 -2.877 1.00 0.00 H new ATOM 0 HB3 ASN A 49 9.445 11.418 -4.506 1.00 0.00 H new ATOM 0 HD21 ASN A 49 6.354 13.475 -2.601 1.00 0.00 H new ATOM 0 HD22 ASN A 49 6.620 11.770 -2.222 1.00 0.00 H new ATOM 720 N ASP A 50 7.029 11.222 -6.485 1.00 0.00 N ATOM 721 CA ASP A 50 6.049 11.819 -7.437 1.00 0.00 C ATOM 722 C ASP A 50 4.936 10.816 -7.747 1.00 0.00 C ATOM 723 O ASP A 50 3.769 11.155 -7.764 1.00 0.00 O ATOM 724 CB ASP A 50 6.857 12.129 -8.698 1.00 0.00 C ATOM 725 CG ASP A 50 5.909 12.544 -9.824 1.00 0.00 C ATOM 726 OD1 ASP A 50 5.053 13.376 -9.574 1.00 0.00 O ATOM 727 OD2 ASP A 50 6.055 12.021 -10.917 1.00 0.00 O ATOM 0 H ASP A 50 7.994 11.196 -6.814 1.00 0.00 H new ATOM 0 HA ASP A 50 5.570 12.710 -7.031 1.00 0.00 H new ATOM 0 HB2 ASP A 50 7.572 12.927 -8.497 1.00 0.00 H new ATOM 0 HB3 ASP A 50 7.433 11.254 -8.998 1.00 0.00 H new ATOM 732 N LEU A 51 5.286 9.583 -7.992 1.00 0.00 N ATOM 733 CA LEU A 51 4.246 8.560 -8.299 1.00 0.00 C ATOM 734 C LEU A 51 3.231 8.479 -7.156 1.00 0.00 C ATOM 735 O LEU A 51 2.041 8.618 -7.359 1.00 0.00 O ATOM 736 CB LEU A 51 5.012 7.244 -8.433 1.00 0.00 C ATOM 737 CG LEU A 51 5.215 6.921 -9.914 1.00 0.00 C ATOM 738 CD1 LEU A 51 3.866 6.598 -10.557 1.00 0.00 C ATOM 739 CD2 LEU A 51 5.838 8.130 -10.616 1.00 0.00 C ATOM 0 H LEU A 51 6.246 9.240 -7.993 1.00 0.00 H new ATOM 0 HA LEU A 51 3.686 8.798 -9.203 1.00 0.00 H new ATOM 0 HB2 LEU A 51 5.976 7.319 -7.931 1.00 0.00 H new ATOM 0 HB3 LEU A 51 4.461 6.439 -7.946 1.00 0.00 H new ATOM 0 HG LEU A 51 5.877 6.061 -10.011 1.00 0.00 H new ATOM 0 HD11 LEU A 51 4.012 6.368 -11.612 1.00 0.00 H new ATOM 0 HD12 LEU A 51 3.421 5.738 -10.056 1.00 0.00 H new ATOM 0 HD13 LEU A 51 3.202 7.457 -10.461 1.00 0.00 H new ATOM 0 HD21 LEU A 51 5.984 7.902 -11.672 1.00 0.00 H new ATOM 0 HD22 LEU A 51 5.175 8.989 -10.518 1.00 0.00 H new ATOM 0 HD23 LEU A 51 6.800 8.361 -10.158 1.00 0.00 H new ATOM 751 N MET A 52 3.692 8.257 -5.955 1.00 0.00 N ATOM 752 CA MET A 52 2.750 8.170 -4.802 1.00 0.00 C ATOM 753 C MET A 52 1.982 9.487 -4.651 1.00 0.00 C ATOM 754 O MET A 52 0.769 9.505 -4.597 1.00 0.00 O ATOM 755 CB MET A 52 3.638 7.918 -3.581 1.00 0.00 C ATOM 756 CG MET A 52 2.862 8.235 -2.302 1.00 0.00 C ATOM 757 SD MET A 52 3.134 9.966 -1.847 1.00 0.00 S ATOM 758 CE MET A 52 1.426 10.351 -1.390 1.00 0.00 C ATOM 0 H MET A 52 4.677 8.132 -5.722 1.00 0.00 H new ATOM 0 HA MET A 52 2.007 7.383 -4.931 1.00 0.00 H new ATOM 0 HB2 MET A 52 3.969 6.879 -3.569 1.00 0.00 H new ATOM 0 HB3 MET A 52 4.533 8.537 -3.637 1.00 0.00 H new ATOM 0 HG2 MET A 52 1.799 8.050 -2.454 1.00 0.00 H new ATOM 0 HG3 MET A 52 3.188 7.580 -1.494 1.00 0.00 H new ATOM 0 HE1 MET A 52 1.124 11.284 -1.865 1.00 0.00 H new ATOM 0 HE2 MET A 52 0.770 9.546 -1.722 1.00 0.00 H new ATOM 0 HE3 MET A 52 1.354 10.455 -0.307 1.00 0.00 H new ATOM 768 N ASN A 53 2.681 10.586 -4.582 1.00 0.00 N ATOM 769 CA ASN A 53 1.993 11.901 -4.432 1.00 0.00 C ATOM 770 C ASN A 53 1.154 12.209 -5.674 1.00 0.00 C ATOM 771 O ASN A 53 0.090 12.789 -5.588 1.00 0.00 O ATOM 772 CB ASN A 53 3.120 12.922 -4.281 1.00 0.00 C ATOM 773 CG ASN A 53 2.711 13.990 -3.264 1.00 0.00 C ATOM 774 OD1 ASN A 53 2.585 15.150 -3.602 1.00 0.00 O ATOM 775 ND2 ASN A 53 2.497 13.645 -2.024 1.00 0.00 N ATOM 0 H ASN A 53 3.699 10.631 -4.623 1.00 0.00 H new ATOM 0 HA ASN A 53 1.312 11.914 -3.581 1.00 0.00 H new ATOM 0 HB2 ASN A 53 4.033 12.425 -3.954 1.00 0.00 H new ATOM 0 HB3 ASN A 53 3.336 13.386 -5.244 1.00 0.00 H new ATOM 0 HD21 ASN A 53 2.224 14.349 -1.339 1.00 0.00 H new ATOM 0 HD22 ASN A 53 2.603 12.671 -1.740 1.00 0.00 H new ATOM 782 N GLU A 54 1.623 11.828 -6.831 1.00 0.00 N ATOM 783 CA GLU A 54 0.850 12.104 -8.076 1.00 0.00 C ATOM 784 C GLU A 54 -0.553 11.498 -7.977 1.00 0.00 C ATOM 785 O GLU A 54 -1.522 12.077 -8.424 1.00 0.00 O ATOM 786 CB GLU A 54 1.647 11.433 -9.195 1.00 0.00 C ATOM 787 CG GLU A 54 0.841 11.478 -10.494 1.00 0.00 C ATOM 788 CD GLU A 54 1.797 11.555 -11.686 1.00 0.00 C ATOM 789 OE1 GLU A 54 2.316 12.631 -11.934 1.00 0.00 O ATOM 790 OE2 GLU A 54 1.993 10.537 -12.328 1.00 0.00 O ATOM 0 H GLU A 54 2.507 11.338 -6.968 1.00 0.00 H new ATOM 0 HA GLU A 54 0.721 13.172 -8.252 1.00 0.00 H new ATOM 0 HB2 GLU A 54 2.602 11.940 -9.330 1.00 0.00 H new ATOM 0 HB3 GLU A 54 1.869 10.400 -8.928 1.00 0.00 H new ATOM 0 HG2 GLU A 54 0.212 10.591 -10.575 1.00 0.00 H new ATOM 0 HG3 GLU A 54 0.176 12.341 -10.492 1.00 0.00 H new ATOM 797 N ILE A 55 -0.668 10.335 -7.395 1.00 0.00 N ATOM 798 CA ILE A 55 -2.009 9.694 -7.273 1.00 0.00 C ATOM 799 C ILE A 55 -2.601 9.954 -5.885 1.00 0.00 C ATOM 800 O ILE A 55 -3.797 9.873 -5.685 1.00 0.00 O ATOM 801 CB ILE A 55 -1.752 8.200 -7.472 1.00 0.00 C ATOM 802 CG1 ILE A 55 -1.217 7.959 -8.886 1.00 0.00 C ATOM 803 CG2 ILE A 55 -3.059 7.427 -7.285 1.00 0.00 C ATOM 804 CD1 ILE A 55 -0.464 6.627 -8.926 1.00 0.00 C ATOM 0 H ILE A 55 0.107 9.802 -7.000 1.00 0.00 H new ATOM 0 HA ILE A 55 -2.720 10.088 -7.999 1.00 0.00 H new ATOM 0 HB ILE A 55 -1.019 7.858 -6.741 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -2.040 7.945 -9.600 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -0.554 8.773 -9.179 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -2.875 6.362 -7.427 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -3.442 7.598 -6.279 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -3.792 7.769 -8.016 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -0.083 6.455 -9.933 1.00 0.00 H new ATOM 0 HD12 ILE A 55 0.368 6.658 -8.223 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -1.141 5.818 -8.651 1.00 0.00 H new ATOM 816 N ASP A 56 -1.776 10.264 -4.921 1.00 0.00 N ATOM 817 CA ASP A 56 -2.299 10.525 -3.550 1.00 0.00 C ATOM 818 C ASP A 56 -3.423 11.562 -3.601 1.00 0.00 C ATOM 819 O ASP A 56 -3.275 12.626 -4.169 1.00 0.00 O ATOM 820 CB ASP A 56 -1.108 11.068 -2.762 1.00 0.00 C ATOM 821 CG ASP A 56 -1.338 10.834 -1.268 1.00 0.00 C ATOM 822 OD1 ASP A 56 -2.162 9.997 -0.941 1.00 0.00 O ATOM 823 OD2 ASP A 56 -0.687 11.497 -0.478 1.00 0.00 O ATOM 0 H ASP A 56 -0.765 10.348 -5.024 1.00 0.00 H new ATOM 0 HA ASP A 56 -2.713 9.627 -3.092 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -0.191 10.574 -3.082 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -0.982 12.133 -2.959 1.00 0.00 H new ATOM 828 N VAL A 57 -4.545 11.261 -3.009 1.00 0.00 N ATOM 829 CA VAL A 57 -5.678 12.232 -3.020 1.00 0.00 C ATOM 830 C VAL A 57 -5.753 12.967 -1.683 1.00 0.00 C ATOM 831 O VAL A 57 -6.217 14.087 -1.601 1.00 0.00 O ATOM 832 CB VAL A 57 -6.929 11.383 -3.239 1.00 0.00 C ATOM 833 CG1 VAL A 57 -6.927 10.836 -4.664 1.00 0.00 C ATOM 834 CG2 VAL A 57 -6.948 10.213 -2.252 1.00 0.00 C ATOM 0 H VAL A 57 -4.728 10.386 -2.518 1.00 0.00 H new ATOM 0 HA VAL A 57 -5.564 12.991 -3.794 1.00 0.00 H new ATOM 0 HB VAL A 57 -7.812 12.002 -3.080 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -7.819 10.230 -4.822 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -6.921 11.665 -5.372 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -6.039 10.222 -4.817 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -7.843 9.613 -2.416 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -6.064 9.594 -2.404 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -6.950 10.597 -1.232 1.00 0.00 H new ATOM 844 N ASP A 58 -5.301 12.342 -0.636 1.00 0.00 N ATOM 845 CA ASP A 58 -5.341 12.994 0.704 1.00 0.00 C ATOM 846 C ASP A 58 -3.998 13.665 1.007 1.00 0.00 C ATOM 847 O ASP A 58 -3.939 14.700 1.640 1.00 0.00 O ATOM 848 CB ASP A 58 -5.608 11.859 1.692 1.00 0.00 C ATOM 849 CG ASP A 58 -6.707 10.946 1.142 1.00 0.00 C ATOM 850 OD1 ASP A 58 -7.853 11.362 1.148 1.00 0.00 O ATOM 851 OD2 ASP A 58 -6.381 9.845 0.727 1.00 0.00 O ATOM 0 H ASP A 58 -4.903 11.403 -0.648 1.00 0.00 H new ATOM 0 HA ASP A 58 -6.104 13.770 0.761 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -4.696 11.287 1.859 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -5.909 12.267 2.657 1.00 0.00 H new ATOM 856 N GLY A 59 -2.917 13.083 0.561 1.00 0.00 N ATOM 857 CA GLY A 59 -1.582 13.690 0.824 1.00 0.00 C ATOM 858 C GLY A 59 -0.953 13.041 2.061 1.00 0.00 C ATOM 859 O GLY A 59 -0.600 13.710 3.011 1.00 0.00 O ATOM 0 H GLY A 59 -2.902 12.214 0.027 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -0.933 13.552 -0.041 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -1.684 14.764 0.978 1.00 0.00 H new ATOM 863 N ASN A 60 -0.811 11.743 2.058 1.00 0.00 N ATOM 864 CA ASN A 60 -0.204 11.055 3.236 1.00 0.00 C ATOM 865 C ASN A 60 1.080 10.334 2.820 1.00 0.00 C ATOM 866 O ASN A 60 1.465 9.346 3.411 1.00 0.00 O ATOM 867 CB ASN A 60 -1.253 10.038 3.695 1.00 0.00 C ATOM 868 CG ASN A 60 -2.652 10.654 3.611 1.00 0.00 C ATOM 869 OD1 ASN A 60 -3.561 10.050 3.075 1.00 0.00 O ATOM 870 ND2 ASN A 60 -2.865 11.836 4.121 1.00 0.00 N ATOM 0 H ASN A 60 -1.088 11.129 1.292 1.00 0.00 H new ATOM 0 HA ASN A 60 0.059 11.757 4.028 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -1.202 9.145 3.072 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -1.045 9.726 4.718 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -3.794 12.253 4.070 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -2.102 12.342 4.571 1.00 0.00 H new ATOM 877 N HIS A 61 1.739 10.814 1.799 1.00 0.00 N ATOM 878 CA HIS A 61 2.993 10.147 1.337 1.00 0.00 C ATOM 879 C HIS A 61 2.678 8.735 0.831 1.00 0.00 C ATOM 880 O HIS A 61 3.563 7.948 0.564 1.00 0.00 O ATOM 881 CB HIS A 61 3.899 10.088 2.570 1.00 0.00 C ATOM 882 CG HIS A 61 3.874 11.414 3.278 1.00 0.00 C ATOM 883 ND1 HIS A 61 3.617 12.602 2.613 1.00 0.00 N ATOM 884 CD2 HIS A 61 4.072 11.756 4.594 1.00 0.00 C ATOM 885 CE1 HIS A 61 3.667 13.594 3.521 1.00 0.00 C ATOM 886 NE2 HIS A 61 3.941 13.133 4.744 1.00 0.00 N ATOM 0 H HIS A 61 1.464 11.638 1.265 1.00 0.00 H new ATOM 0 HA HIS A 61 3.468 10.684 0.516 1.00 0.00 H new ATOM 0 HB2 HIS A 61 3.564 9.299 3.243 1.00 0.00 H new ATOM 0 HB3 HIS A 61 4.919 9.842 2.273 1.00 0.00 H new ATOM 0 HD2 HIS A 61 4.295 11.062 5.391 1.00 0.00 H new ATOM 0 HE1 HIS A 61 3.505 14.636 3.289 1.00 0.00 H new ATOM 0 HE2 HIS A 61 4.034 13.674 5.604 1.00 0.00 H new ATOM 894 N GLN A 62 1.418 8.418 0.692 1.00 0.00 N ATOM 895 CA GLN A 62 1.025 7.067 0.202 1.00 0.00 C ATOM 896 C GLN A 62 -0.393 7.121 -0.368 1.00 0.00 C ATOM 897 O GLN A 62 -1.146 8.037 -0.097 1.00 0.00 O ATOM 898 CB GLN A 62 1.063 6.160 1.433 1.00 0.00 C ATOM 899 CG GLN A 62 2.473 6.153 2.028 1.00 0.00 C ATOM 900 CD GLN A 62 2.582 5.034 3.067 1.00 0.00 C ATOM 901 OE1 GLN A 62 3.641 4.472 3.261 1.00 0.00 O ATOM 902 NE2 GLN A 62 1.524 4.685 3.746 1.00 0.00 N ATOM 0 H GLN A 62 0.639 9.043 0.899 1.00 0.00 H new ATOM 0 HA GLN A 62 1.686 6.706 -0.586 1.00 0.00 H new ATOM 0 HB2 GLN A 62 0.346 6.510 2.176 1.00 0.00 H new ATOM 0 HB3 GLN A 62 0.769 5.147 1.159 1.00 0.00 H new ATOM 0 HG2 GLN A 62 3.211 6.005 1.240 1.00 0.00 H new ATOM 0 HG3 GLN A 62 2.689 7.116 2.491 1.00 0.00 H new ATOM 0 HE21 GLN A 62 0.635 5.157 3.583 1.00 0.00 H new ATOM 0 HE22 GLN A 62 1.586 3.940 4.440 1.00 0.00 H new ATOM 911 N ILE A 63 -0.768 6.152 -1.153 1.00 0.00 N ATOM 912 CA ILE A 63 -2.136 6.157 -1.733 1.00 0.00 C ATOM 913 C ILE A 63 -2.769 4.768 -1.617 1.00 0.00 C ATOM 914 O ILE A 63 -2.087 3.763 -1.591 1.00 0.00 O ATOM 915 CB ILE A 63 -1.937 6.532 -3.198 1.00 0.00 C ATOM 916 CG1 ILE A 63 -1.319 5.352 -3.950 1.00 0.00 C ATOM 917 CG2 ILE A 63 -1.007 7.742 -3.298 1.00 0.00 C ATOM 918 CD1 ILE A 63 -2.428 4.385 -4.373 1.00 0.00 C ATOM 0 H ILE A 63 -0.186 5.357 -1.418 1.00 0.00 H new ATOM 0 HA ILE A 63 -2.801 6.850 -1.218 1.00 0.00 H new ATOM 0 HB ILE A 63 -2.902 6.780 -3.640 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -0.777 5.708 -4.826 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -0.596 4.839 -3.315 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -0.867 8.007 -4.346 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -1.448 8.585 -2.766 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -0.042 7.497 -2.854 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -1.991 3.543 -4.909 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -2.950 4.021 -3.488 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -3.134 4.902 -5.023 1.00 0.00 H new ATOM 930 N GLU A 64 -4.070 4.706 -1.560 1.00 0.00 N ATOM 931 CA GLU A 64 -4.750 3.385 -1.461 1.00 0.00 C ATOM 932 C GLU A 64 -5.281 2.982 -2.837 1.00 0.00 C ATOM 933 O GLU A 64 -5.257 3.761 -3.770 1.00 0.00 O ATOM 934 CB GLU A 64 -5.903 3.602 -0.480 1.00 0.00 C ATOM 935 CG GLU A 64 -5.361 4.198 0.820 1.00 0.00 C ATOM 936 CD GLU A 64 -6.501 4.340 1.831 1.00 0.00 C ATOM 937 OE1 GLU A 64 -7.489 4.971 1.495 1.00 0.00 O ATOM 938 OE2 GLU A 64 -6.366 3.814 2.924 1.00 0.00 O ATOM 0 H GLU A 64 -4.692 5.514 -1.578 1.00 0.00 H new ATOM 0 HA GLU A 64 -4.082 2.592 -1.124 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -6.646 4.270 -0.917 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -6.405 2.656 -0.277 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -4.578 3.559 1.227 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -4.910 5.171 0.626 1.00 0.00 H new ATOM 945 N PHE A 65 -5.757 1.778 -2.980 1.00 0.00 N ATOM 946 CA PHE A 65 -6.279 1.350 -4.307 1.00 0.00 C ATOM 947 C PHE A 65 -7.157 2.451 -4.907 1.00 0.00 C ATOM 948 O PHE A 65 -6.779 3.106 -5.857 1.00 0.00 O ATOM 949 CB PHE A 65 -7.109 0.099 -4.037 1.00 0.00 C ATOM 950 CG PHE A 65 -7.883 -0.239 -5.284 1.00 0.00 C ATOM 951 CD1 PHE A 65 -7.199 -0.622 -6.443 1.00 0.00 C ATOM 952 CD2 PHE A 65 -9.279 -0.155 -5.289 1.00 0.00 C ATOM 953 CE1 PHE A 65 -7.911 -0.923 -7.607 1.00 0.00 C ATOM 954 CE2 PHE A 65 -9.992 -0.454 -6.455 1.00 0.00 C ATOM 955 CZ PHE A 65 -9.308 -0.837 -7.613 1.00 0.00 C ATOM 0 H PHE A 65 -5.807 1.076 -2.242 1.00 0.00 H new ATOM 0 HA PHE A 65 -5.475 1.154 -5.016 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -6.462 -0.732 -3.756 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -7.790 0.269 -3.203 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -6.121 -0.685 -6.438 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -9.806 0.140 -4.394 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -7.384 -1.222 -8.501 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -11.070 -0.389 -6.461 1.00 0.00 H new ATOM 0 HZ PHE A 65 -9.859 -1.067 -8.513 1.00 0.00 H new ATOM 965 N SER A 66 -8.330 2.647 -4.361 1.00 0.00 N ATOM 966 CA SER A 66 -9.253 3.701 -4.887 1.00 0.00 C ATOM 967 C SER A 66 -8.466 4.918 -5.383 1.00 0.00 C ATOM 968 O SER A 66 -8.724 5.438 -6.451 1.00 0.00 O ATOM 969 CB SER A 66 -10.131 4.082 -3.697 1.00 0.00 C ATOM 970 OG SER A 66 -10.422 2.918 -2.934 1.00 0.00 O ATOM 0 H SER A 66 -8.692 2.118 -3.567 1.00 0.00 H new ATOM 0 HA SER A 66 -9.837 3.344 -5.735 1.00 0.00 H new ATOM 0 HB2 SER A 66 -9.622 4.819 -3.076 1.00 0.00 H new ATOM 0 HB3 SER A 66 -11.055 4.543 -4.045 1.00 0.00 H new ATOM 0 HG SER A 66 -10.984 3.161 -2.169 1.00 0.00 H new ATOM 976 N GLU A 67 -7.502 5.374 -4.628 1.00 0.00 N ATOM 977 CA GLU A 67 -6.705 6.550 -5.082 1.00 0.00 C ATOM 978 C GLU A 67 -6.060 6.231 -6.433 1.00 0.00 C ATOM 979 O GLU A 67 -6.075 7.033 -7.347 1.00 0.00 O ATOM 980 CB GLU A 67 -5.641 6.754 -4.001 1.00 0.00 C ATOM 981 CG GLU A 67 -6.326 6.936 -2.645 1.00 0.00 C ATOM 982 CD GLU A 67 -5.407 7.719 -1.703 1.00 0.00 C ATOM 983 OE1 GLU A 67 -4.299 8.028 -2.108 1.00 0.00 O ATOM 984 OE2 GLU A 67 -5.830 7.998 -0.594 1.00 0.00 O ATOM 0 H GLU A 67 -7.234 4.986 -3.723 1.00 0.00 H new ATOM 0 HA GLU A 67 -7.310 7.447 -5.215 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -4.969 5.896 -3.970 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -5.032 7.628 -4.234 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -7.270 7.466 -2.772 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -6.562 5.964 -2.213 1.00 0.00 H new ATOM 991 N PHE A 68 -5.512 5.054 -6.569 1.00 0.00 N ATOM 992 CA PHE A 68 -4.886 4.667 -7.863 1.00 0.00 C ATOM 993 C PHE A 68 -5.947 4.714 -8.967 1.00 0.00 C ATOM 994 O PHE A 68 -5.658 4.997 -10.112 1.00 0.00 O ATOM 995 CB PHE A 68 -4.376 3.238 -7.635 1.00 0.00 C ATOM 996 CG PHE A 68 -4.301 2.488 -8.946 1.00 0.00 C ATOM 997 CD1 PHE A 68 -3.538 2.994 -10.003 1.00 0.00 C ATOM 998 CD2 PHE A 68 -4.992 1.280 -9.097 1.00 0.00 C ATOM 999 CE1 PHE A 68 -3.465 2.293 -11.212 1.00 0.00 C ATOM 1000 CE2 PHE A 68 -4.921 0.579 -10.307 1.00 0.00 C ATOM 1001 CZ PHE A 68 -4.157 1.085 -11.364 1.00 0.00 C ATOM 0 H PHE A 68 -5.471 4.344 -5.838 1.00 0.00 H new ATOM 0 HA PHE A 68 -4.078 5.330 -8.171 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -3.391 3.267 -7.169 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -5.039 2.714 -6.947 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -3.005 3.926 -9.886 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -5.580 0.889 -8.280 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -2.875 2.684 -12.028 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -5.456 -0.352 -10.424 1.00 0.00 H new ATOM 0 HZ PHE A 68 -4.101 0.544 -12.297 1.00 0.00 H new ATOM 1011 N LEU A 69 -7.177 4.449 -8.621 1.00 0.00 N ATOM 1012 CA LEU A 69 -8.266 4.487 -9.638 1.00 0.00 C ATOM 1013 C LEU A 69 -8.594 5.940 -9.987 1.00 0.00 C ATOM 1014 O LEU A 69 -8.895 6.267 -11.118 1.00 0.00 O ATOM 1015 CB LEU A 69 -9.463 3.815 -8.963 1.00 0.00 C ATOM 1016 CG LEU A 69 -9.469 2.323 -9.297 1.00 0.00 C ATOM 1017 CD1 LEU A 69 -9.881 2.127 -10.756 1.00 0.00 C ATOM 1018 CD2 LEU A 69 -8.070 1.744 -9.081 1.00 0.00 C ATOM 0 H LEU A 69 -7.475 4.207 -7.676 1.00 0.00 H new ATOM 0 HA LEU A 69 -7.990 3.985 -10.565 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -9.411 3.956 -7.883 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -10.391 4.277 -9.301 1.00 0.00 H new ATOM 0 HG LEU A 69 -10.178 1.810 -8.647 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -9.885 1.063 -10.993 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -10.879 2.537 -10.910 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -9.173 2.641 -11.406 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -8.076 0.680 -9.319 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -7.360 2.257 -9.729 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -7.776 1.881 -8.040 1.00 0.00 H new ATOM 1030 N ALA A 70 -8.535 6.815 -9.020 1.00 0.00 N ATOM 1031 CA ALA A 70 -8.838 8.248 -9.289 1.00 0.00 C ATOM 1032 C ALA A 70 -7.887 8.794 -10.358 1.00 0.00 C ATOM 1033 O ALA A 70 -8.305 9.410 -11.318 1.00 0.00 O ATOM 1034 CB ALA A 70 -8.611 8.958 -7.954 1.00 0.00 C ATOM 0 H ALA A 70 -8.290 6.598 -8.054 1.00 0.00 H new ATOM 0 HA ALA A 70 -9.852 8.395 -9.660 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -8.814 10.023 -8.069 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -9.280 8.540 -7.201 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -7.577 8.818 -7.639 1.00 0.00 H new ATOM 1040 N LEU A 71 -6.611 8.570 -10.198 1.00 0.00 N ATOM 1041 CA LEU A 71 -5.637 9.075 -11.207 1.00 0.00 C ATOM 1042 C LEU A 71 -5.582 8.128 -12.409 1.00 0.00 C ATOM 1043 O LEU A 71 -5.588 8.553 -13.547 1.00 0.00 O ATOM 1044 CB LEU A 71 -4.291 9.100 -10.483 1.00 0.00 C ATOM 1045 CG LEU A 71 -3.273 9.865 -11.330 1.00 0.00 C ATOM 1046 CD1 LEU A 71 -2.706 11.031 -10.518 1.00 0.00 C ATOM 1047 CD2 LEU A 71 -2.135 8.925 -11.731 1.00 0.00 C ATOM 0 H LEU A 71 -6.202 8.061 -9.415 1.00 0.00 H new ATOM 0 HA LEU A 71 -5.912 10.058 -11.589 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -4.399 9.575 -9.508 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -3.942 8.083 -10.306 1.00 0.00 H new ATOM 0 HG LEU A 71 -3.762 10.249 -12.225 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -1.980 11.576 -11.122 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -3.516 11.702 -10.230 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -2.217 10.647 -9.622 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -1.409 9.469 -12.335 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -1.647 8.541 -10.835 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -2.537 8.093 -12.309 1.00 0.00 H new ATOM 1059 N MET A 72 -5.528 6.847 -12.165 1.00 0.00 N ATOM 1060 CA MET A 72 -5.472 5.874 -13.294 1.00 0.00 C ATOM 1061 C MET A 72 -6.632 6.120 -14.262 1.00 0.00 C ATOM 1062 O MET A 72 -6.444 6.594 -15.365 1.00 0.00 O ATOM 1063 CB MET A 72 -5.601 4.499 -12.639 1.00 0.00 C ATOM 1064 CG MET A 72 -5.512 3.413 -13.712 1.00 0.00 C ATOM 1065 SD MET A 72 -3.974 3.611 -14.645 1.00 0.00 S ATOM 1066 CE MET A 72 -3.529 1.860 -14.726 1.00 0.00 C ATOM 0 H MET A 72 -5.520 6.432 -11.233 1.00 0.00 H new ATOM 0 HA MET A 72 -4.552 5.964 -13.872 1.00 0.00 H new ATOM 0 HB2 MET A 72 -4.812 4.361 -11.900 1.00 0.00 H new ATOM 0 HB3 MET A 72 -6.550 4.424 -12.109 1.00 0.00 H new ATOM 0 HG2 MET A 72 -5.545 2.426 -13.250 1.00 0.00 H new ATOM 0 HG3 MET A 72 -6.368 3.479 -14.383 1.00 0.00 H new ATOM 0 HE1 MET A 72 -2.572 1.704 -14.228 1.00 0.00 H new ATOM 0 HE2 MET A 72 -4.297 1.266 -14.230 1.00 0.00 H new ATOM 0 HE3 MET A 72 -3.450 1.553 -15.769 1.00 0.00 H new