USER MOD reduce.3.24.130724 H: found=0, std=0, add=764, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 761 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= -1.43 K(o=-1.4,f=-8!) USER MOD Single : A 4 GLN : amide:sc= -0.438 K(o=-0.44,f=-5.5!) USER MOD Single : A 6 GLN : amide:sc= 0 X(o=0,f=-0.079) USER MOD Single : A 7 GLN : amide:sc= -0.123 K(o=-0.12,f=-0.98) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 160:sc= -0.204 USER MOD Single : A 15 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 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 GLN : amide:sc= -1.38 K(o=-1.4,f=-3.3!) USER MOD Single : A 27 ASN : amide:sc= -0.0107 X(o=-0.011,f=-0.034) USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=0.016) USER MOD Single : A 31 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 CYS SG : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 47 GLN : amide:sc= -2.74 K(o=-2.7,f=-6.1!) USER MOD Single : A 48 TYR OH : rot 127:sc= -0.856 USER MOD Single : A 50 MET CE :methyl -120:sc= -0.356 (180deg=-4.11!) USER MOD Single : A 55 THR OG1 : rot 180:sc= -0.522 USER MOD Single : A 61 HIS : no HD1:sc= -12.9! C(o=-13!,f=-17!) USER MOD Single : A 65 TYR OH : rot 177:sc= -0.738 USER MOD Single : A 69 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0354) USER MOD Single : A 76 SER OG : rot 180:sc= -1.11 USER MOD Single : A 77 MET CE :methyl -121:sc= -5.24! (180deg=-9.7!) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 ASN : amide:sc= -0.297 X(o=-0.3,f=-0.24) USER MOD Single : A 87 TYR OH : rot 165:sc=-0.00764 USER MOD Single : A 92 MET CE :methyl -135:sc= -0.0856 (180deg=-0.483) USER MOD Single : A 97 THR OG1 : rot 27:sc= 0.0621 USER MOD Single : A 100 ASN : amide:sc= -0.0188 K(o=-0.019,f=-0.65) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -17.730 -1.905 19.196 1.00 0.00 N ATOM 2 CA MET A 1 -16.621 -2.788 19.514 1.00 0.00 C ATOM 3 C MET A 1 -15.366 -2.397 18.730 1.00 0.00 C ATOM 4 O MET A 1 -15.076 -2.980 17.686 1.00 0.00 O ATOM 5 CB MET A 1 -17.004 -4.230 19.179 1.00 0.00 C ATOM 6 CG MET A 1 -17.881 -4.834 20.278 1.00 0.00 C ATOM 7 SD MET A 1 -17.599 -6.594 20.385 1.00 0.00 S ATOM 8 CE MET A 1 -19.263 -7.155 20.706 1.00 0.00 C ATOM 0 H1 MET A 1 -18.569 -2.191 19.740 1.00 0.00 H new ATOM 0 H2 MET A 1 -17.476 -0.927 19.440 1.00 0.00 H new ATOM 0 H3 MET A 1 -17.940 -1.964 18.179 1.00 0.00 H new ATOM 0 HA MET A 1 -16.404 -2.699 20.578 1.00 0.00 H new ATOM 0 HB2 MET A 1 -17.536 -4.257 18.228 1.00 0.00 H new ATOM 0 HB3 MET A 1 -16.103 -4.830 19.057 1.00 0.00 H new ATOM 0 HG2 MET A 1 -17.656 -4.362 21.235 1.00 0.00 H new ATOM 0 HG3 MET A 1 -18.932 -4.638 20.065 1.00 0.00 H new ATOM 0 HE1 MET A 1 -19.269 -8.241 20.801 1.00 0.00 H new ATOM 0 HE2 MET A 1 -19.626 -6.707 21.631 1.00 0.00 H new ATOM 0 HE3 MET A 1 -19.912 -6.860 19.881 1.00 0.00 H new ATOM 18 N GLN A 2 -14.656 -1.414 19.263 1.00 0.00 N ATOM 19 CA GLN A 2 -13.440 -0.939 18.625 1.00 0.00 C ATOM 20 C GLN A 2 -13.663 -0.760 17.122 1.00 0.00 C ATOM 21 O GLN A 2 -13.521 -1.710 16.353 1.00 0.00 O ATOM 22 CB GLN A 2 -12.272 -1.888 18.897 1.00 0.00 C ATOM 23 CG GLN A 2 -11.120 -1.157 19.591 1.00 0.00 C ATOM 24 CD GLN A 2 -10.536 -0.071 18.685 1.00 0.00 C ATOM 25 OE1 GLN A 2 -11.243 0.639 17.988 1.00 0.00 O ATOM 26 NE2 GLN A 2 -9.210 0.018 18.733 1.00 0.00 N ATOM 0 H GLN A 2 -14.899 -0.933 20.129 1.00 0.00 H new ATOM 0 HA GLN A 2 -13.184 0.031 19.052 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -12.609 -2.716 19.520 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -11.922 -2.317 17.958 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -11.475 -0.709 20.519 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -10.341 -1.870 19.859 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -8.678 -0.608 19.338 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -8.725 0.712 18.164 1.00 0.00 H new ATOM 35 N GLU A 3 -14.009 0.463 16.749 1.00 0.00 N ATOM 36 CA GLU A 3 -14.253 0.778 15.352 1.00 0.00 C ATOM 37 C GLU A 3 -13.609 2.118 14.990 1.00 0.00 C ATOM 38 O GLU A 3 -14.068 3.170 15.432 1.00 0.00 O ATOM 39 CB GLU A 3 -15.752 0.789 15.046 1.00 0.00 C ATOM 40 CG GLU A 3 -16.005 0.671 13.541 1.00 0.00 C ATOM 41 CD GLU A 3 -17.215 1.508 13.122 1.00 0.00 C ATOM 42 OE1 GLU A 3 -18.237 1.427 13.838 1.00 0.00 O ATOM 43 OE2 GLU A 3 -17.092 2.209 12.095 1.00 0.00 O ATOM 0 H GLU A 3 -14.126 1.248 17.390 1.00 0.00 H new ATOM 0 HA GLU A 3 -13.797 0.001 14.739 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -16.239 -0.036 15.566 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -16.197 1.710 15.422 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -15.122 1.001 12.993 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -16.172 -0.373 13.277 1.00 0.00 H new ATOM 50 N GLN A 4 -12.557 2.036 14.188 1.00 0.00 N ATOM 51 CA GLN A 4 -11.847 3.230 13.762 1.00 0.00 C ATOM 52 C GLN A 4 -12.196 3.565 12.310 1.00 0.00 C ATOM 53 O GLN A 4 -11.455 3.215 11.393 1.00 0.00 O ATOM 54 CB GLN A 4 -10.336 3.061 13.937 1.00 0.00 C ATOM 55 CG GLN A 4 -9.815 3.938 15.077 1.00 0.00 C ATOM 56 CD GLN A 4 -8.461 4.555 14.719 1.00 0.00 C ATOM 57 OE1 GLN A 4 -7.543 3.885 14.275 1.00 0.00 O ATOM 58 NE2 GLN A 4 -8.389 5.865 14.937 1.00 0.00 N ATOM 0 H GLN A 4 -12.180 1.162 13.822 1.00 0.00 H new ATOM 0 HA GLN A 4 -12.162 4.061 14.393 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -10.105 2.016 14.143 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -9.827 3.324 13.010 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -10.534 4.729 15.290 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -9.719 3.342 15.984 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -9.196 6.365 15.311 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -7.527 6.370 14.730 1.00 0.00 H new ATOM 67 N ALA A 5 -13.324 4.239 12.147 1.00 0.00 N ATOM 68 CA ALA A 5 -13.780 4.626 10.823 1.00 0.00 C ATOM 69 C ALA A 5 -12.778 5.604 10.208 1.00 0.00 C ATOM 70 O ALA A 5 -12.453 6.627 10.810 1.00 0.00 O ATOM 71 CB ALA A 5 -15.188 5.218 10.920 1.00 0.00 C ATOM 0 H ALA A 5 -13.936 4.527 12.910 1.00 0.00 H new ATOM 0 HA ALA A 5 -13.836 3.757 10.168 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -15.530 5.508 9.927 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -15.868 4.474 11.335 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -15.170 6.094 11.568 1.00 0.00 H new ATOM 77 N GLN A 6 -12.314 5.256 9.016 1.00 0.00 N ATOM 78 CA GLN A 6 -11.355 6.091 8.314 1.00 0.00 C ATOM 79 C GLN A 6 -11.264 5.674 6.844 1.00 0.00 C ATOM 80 O GLN A 6 -10.715 4.620 6.527 1.00 0.00 O ATOM 81 CB GLN A 6 -9.982 6.033 8.986 1.00 0.00 C ATOM 82 CG GLN A 6 -8.880 6.474 8.020 1.00 0.00 C ATOM 83 CD GLN A 6 -7.745 7.177 8.767 1.00 0.00 C ATOM 84 OE1 GLN A 6 -7.339 6.780 9.847 1.00 0.00 O ATOM 85 NE2 GLN A 6 -7.257 8.240 8.134 1.00 0.00 N ATOM 0 H GLN A 6 -12.585 4.407 8.519 1.00 0.00 H new ATOM 0 HA GLN A 6 -11.701 7.124 8.358 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -9.977 6.675 9.867 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -9.784 5.018 9.330 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -8.488 5.606 7.489 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -9.297 7.145 7.269 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -7.643 8.518 7.232 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -6.497 8.777 8.551 1.00 0.00 H new ATOM 94 N GLN A 7 -11.812 6.522 5.987 1.00 0.00 N ATOM 95 CA GLN A 7 -11.800 6.255 4.558 1.00 0.00 C ATOM 96 C GLN A 7 -11.039 7.357 3.818 1.00 0.00 C ATOM 97 O GLN A 7 -11.590 8.424 3.552 1.00 0.00 O ATOM 98 CB GLN A 7 -13.223 6.111 4.015 1.00 0.00 C ATOM 99 CG GLN A 7 -13.976 7.441 4.091 1.00 0.00 C ATOM 100 CD GLN A 7 -15.483 7.211 4.215 1.00 0.00 C ATOM 101 OE1 GLN A 7 -15.946 6.304 4.887 1.00 0.00 O ATOM 102 NE2 GLN A 7 -16.221 8.082 3.531 1.00 0.00 N ATOM 0 H GLN A 7 -12.267 7.395 6.254 1.00 0.00 H new ATOM 0 HA GLN A 7 -11.285 5.309 4.389 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -13.189 5.767 2.981 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -13.759 5.352 4.586 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -13.621 8.016 4.946 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -13.767 8.033 3.200 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -15.769 8.818 2.988 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -17.239 8.014 3.550 1.00 0.00 H new ATOM 111 N PHE A 8 -9.786 7.060 3.507 1.00 0.00 N ATOM 112 CA PHE A 8 -8.944 8.013 2.803 1.00 0.00 C ATOM 113 C PHE A 8 -8.857 7.671 1.314 1.00 0.00 C ATOM 114 O PHE A 8 -8.957 6.506 0.934 1.00 0.00 O ATOM 115 CB PHE A 8 -7.547 7.916 3.420 1.00 0.00 C ATOM 116 CG PHE A 8 -6.985 9.256 3.900 1.00 0.00 C ATOM 117 CD1 PHE A 8 -7.394 10.414 3.315 1.00 0.00 C ATOM 118 CD2 PHE A 8 -6.077 9.289 4.912 1.00 0.00 C ATOM 119 CE1 PHE A 8 -6.872 11.657 3.761 1.00 0.00 C ATOM 120 CE2 PHE A 8 -5.556 10.532 5.358 1.00 0.00 C ATOM 121 CZ PHE A 8 -5.964 11.690 4.773 1.00 0.00 C ATOM 0 H PHE A 8 -9.333 6.173 3.729 1.00 0.00 H new ATOM 0 HA PHE A 8 -9.360 9.016 2.894 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -7.580 7.225 4.262 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -6.865 7.490 2.684 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -8.115 10.388 2.512 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -5.752 8.370 5.376 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -7.196 12.577 3.296 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -4.835 10.558 6.162 1.00 0.00 H new ATOM 0 HZ PHE A 8 -5.567 12.635 5.112 1.00 0.00 H new ATOM 131 N ILE A 9 -8.670 8.709 0.512 1.00 0.00 N ATOM 132 CA ILE A 9 -8.568 8.534 -0.927 1.00 0.00 C ATOM 133 C ILE A 9 -7.138 8.126 -1.286 1.00 0.00 C ATOM 134 O ILE A 9 -6.178 8.745 -0.828 1.00 0.00 O ATOM 135 CB ILE A 9 -9.051 9.789 -1.655 1.00 0.00 C ATOM 136 CG1 ILE A 9 -9.225 9.522 -3.152 1.00 0.00 C ATOM 137 CG2 ILE A 9 -8.117 10.971 -1.389 1.00 0.00 C ATOM 138 CD1 ILE A 9 -10.704 9.541 -3.544 1.00 0.00 C ATOM 0 H ILE A 9 -8.586 9.674 0.831 1.00 0.00 H new ATOM 0 HA ILE A 9 -9.223 7.729 -1.261 1.00 0.00 H new ATOM 0 HB ILE A 9 -10.031 10.057 -1.259 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -8.684 10.275 -3.725 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -8.790 8.555 -3.406 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -8.483 11.851 -1.918 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -8.087 11.178 -0.319 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -7.114 10.728 -1.740 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -10.800 9.349 -4.613 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -11.238 8.771 -2.987 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -11.130 10.517 -3.312 1.00 0.00 H new ATOM 150 N PHE A 10 -7.040 7.087 -2.102 1.00 0.00 N ATOM 151 CA PHE A 10 -5.743 6.590 -2.528 1.00 0.00 C ATOM 152 C PHE A 10 -5.866 5.762 -3.809 1.00 0.00 C ATOM 153 O PHE A 10 -6.803 4.979 -3.958 1.00 0.00 O ATOM 154 CB PHE A 10 -5.216 5.694 -1.405 1.00 0.00 C ATOM 155 CG PHE A 10 -3.772 5.229 -1.605 1.00 0.00 C ATOM 156 CD1 PHE A 10 -2.805 6.131 -1.923 1.00 0.00 C ATOM 157 CD2 PHE A 10 -3.455 3.914 -1.464 1.00 0.00 C ATOM 158 CE1 PHE A 10 -1.465 5.700 -2.108 1.00 0.00 C ATOM 159 CE2 PHE A 10 -2.115 3.483 -1.649 1.00 0.00 C ATOM 160 CZ PHE A 10 -1.148 4.385 -1.967 1.00 0.00 C ATOM 0 H PHE A 10 -7.838 6.576 -2.479 1.00 0.00 H new ATOM 0 HA PHE A 10 -5.073 7.426 -2.730 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -5.285 6.234 -0.461 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -5.860 4.819 -1.320 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -3.057 7.175 -2.035 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -4.223 3.198 -1.211 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -0.697 6.416 -2.361 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -1.863 2.439 -1.537 1.00 0.00 H new ATOM 0 HZ PHE A 10 -0.129 4.057 -2.108 1.00 0.00 H new ATOM 170 N LYS A 11 -4.907 5.963 -4.701 1.00 0.00 N ATOM 171 CA LYS A 11 -4.897 5.245 -5.964 1.00 0.00 C ATOM 172 C LYS A 11 -3.482 4.737 -6.245 1.00 0.00 C ATOM 173 O LYS A 11 -2.559 5.529 -6.426 1.00 0.00 O ATOM 174 CB LYS A 11 -5.471 6.119 -7.081 1.00 0.00 C ATOM 175 CG LYS A 11 -6.677 6.920 -6.587 1.00 0.00 C ATOM 176 CD LYS A 11 -7.896 6.014 -6.397 1.00 0.00 C ATOM 177 CE LYS A 11 -8.840 6.581 -5.335 1.00 0.00 C ATOM 178 NZ LYS A 11 -10.165 5.927 -5.417 1.00 0.00 N ATOM 0 H LYS A 11 -4.131 6.613 -4.574 1.00 0.00 H new ATOM 0 HA LYS A 11 -5.545 4.370 -5.911 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -4.702 6.800 -7.446 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -5.766 5.492 -7.922 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -6.432 7.409 -5.644 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -6.913 7.708 -7.302 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -8.427 5.910 -7.343 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -7.570 5.016 -6.103 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -8.414 6.430 -4.343 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -8.949 7.657 -5.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -10.793 6.323 -4.689 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -10.576 6.093 -6.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -10.058 4.904 -5.262 1.00 0.00 H new ATOM 192 N VAL A 12 -3.356 3.418 -6.274 1.00 0.00 N ATOM 193 CA VAL A 12 -2.068 2.795 -6.530 1.00 0.00 C ATOM 194 C VAL A 12 -2.180 1.892 -7.760 1.00 0.00 C ATOM 195 O VAL A 12 -3.179 1.195 -7.934 1.00 0.00 O ATOM 196 CB VAL A 12 -1.590 2.050 -5.282 1.00 0.00 C ATOM 197 CG1 VAL A 12 -2.077 0.599 -5.290 1.00 0.00 C ATOM 198 CG2 VAL A 12 -0.067 2.116 -5.154 1.00 0.00 C ATOM 0 H VAL A 12 -4.124 2.764 -6.125 1.00 0.00 H new ATOM 0 HA VAL A 12 -1.314 3.551 -6.749 1.00 0.00 H new ATOM 0 HB VAL A 12 -2.021 2.544 -4.411 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -1.724 0.092 -4.392 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -3.167 0.581 -5.312 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -1.688 0.090 -6.172 1.00 0.00 H new ATOM 0 HG21 VAL A 12 0.247 1.579 -4.259 1.00 0.00 H new ATOM 0 HG22 VAL A 12 0.392 1.659 -6.031 1.00 0.00 H new ATOM 0 HG23 VAL A 12 0.247 3.157 -5.081 1.00 0.00 H new ATOM 208 N THR A 13 -1.141 1.932 -8.581 1.00 0.00 N ATOM 209 CA THR A 13 -1.109 1.126 -9.789 1.00 0.00 C ATOM 210 C THR A 13 -1.152 -0.363 -9.438 1.00 0.00 C ATOM 211 O THR A 13 -0.758 -0.757 -8.342 1.00 0.00 O ATOM 212 CB THR A 13 0.130 1.526 -10.592 1.00 0.00 C ATOM 213 OG1 THR A 13 1.200 1.416 -9.657 1.00 0.00 O ATOM 214 CG2 THR A 13 0.124 3.006 -10.980 1.00 0.00 C ATOM 0 H THR A 13 -0.314 2.511 -8.433 1.00 0.00 H new ATOM 0 HA THR A 13 -1.987 1.307 -10.409 1.00 0.00 H new ATOM 0 HB THR A 13 0.191 0.915 -11.493 1.00 0.00 H new ATOM 0 HG1 THR A 13 2.049 1.339 -10.140 1.00 0.00 H new ATOM 0 HG21 THR A 13 1.025 3.237 -11.548 1.00 0.00 H new ATOM 0 HG22 THR A 13 -0.754 3.219 -11.590 1.00 0.00 H new ATOM 0 HG23 THR A 13 0.097 3.618 -10.079 1.00 0.00 H new ATOM 222 N ASP A 14 -1.634 -1.149 -10.390 1.00 0.00 N ATOM 223 CA ASP A 14 -1.733 -2.585 -10.195 1.00 0.00 C ATOM 224 C ASP A 14 -0.343 -3.152 -9.899 1.00 0.00 C ATOM 225 O ASP A 14 -0.211 -4.126 -9.159 1.00 0.00 O ATOM 226 CB ASP A 14 -2.267 -3.275 -11.452 1.00 0.00 C ATOM 227 CG ASP A 14 -3.790 -3.409 -11.518 1.00 0.00 C ATOM 228 OD1 ASP A 14 -4.310 -4.318 -10.836 1.00 0.00 O ATOM 229 OD2 ASP A 14 -4.399 -2.598 -12.250 1.00 0.00 O ATOM 0 H ASP A 14 -1.960 -0.818 -11.298 1.00 0.00 H new ATOM 0 HA ASP A 14 -2.416 -2.767 -9.365 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -1.928 -2.718 -12.326 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -1.826 -4.270 -11.517 1.00 0.00 H new ATOM 234 N LYS A 15 0.658 -2.519 -10.491 1.00 0.00 N ATOM 235 CA LYS A 15 2.033 -2.948 -10.300 1.00 0.00 C ATOM 236 C LYS A 15 2.427 -2.744 -8.836 1.00 0.00 C ATOM 237 O LYS A 15 3.080 -3.600 -8.240 1.00 0.00 O ATOM 238 CB LYS A 15 2.959 -2.239 -11.290 1.00 0.00 C ATOM 239 CG LYS A 15 3.938 -3.226 -11.929 1.00 0.00 C ATOM 240 CD LYS A 15 5.034 -2.489 -12.701 1.00 0.00 C ATOM 241 CE LYS A 15 5.282 -3.144 -14.061 1.00 0.00 C ATOM 242 NZ LYS A 15 6.243 -2.346 -14.854 1.00 0.00 N ATOM 0 H LYS A 15 0.545 -1.712 -11.104 1.00 0.00 H new ATOM 0 HA LYS A 15 2.133 -4.012 -10.513 1.00 0.00 H new ATOM 0 HB2 LYS A 15 2.366 -1.756 -12.066 1.00 0.00 H new ATOM 0 HB3 LYS A 15 3.513 -1.453 -10.776 1.00 0.00 H new ATOM 0 HG2 LYS A 15 4.389 -3.849 -11.156 1.00 0.00 H new ATOM 0 HG3 LYS A 15 3.400 -3.893 -12.602 1.00 0.00 H new ATOM 0 HD2 LYS A 15 4.746 -1.447 -12.842 1.00 0.00 H new ATOM 0 HD3 LYS A 15 5.956 -2.489 -12.120 1.00 0.00 H new ATOM 0 HE2 LYS A 15 5.668 -4.154 -13.920 1.00 0.00 H new ATOM 0 HE3 LYS A 15 4.341 -3.236 -14.604 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 6.400 -2.805 -15.774 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 5.860 -1.391 -15.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 7.146 -2.280 -14.342 1.00 0.00 H new ATOM 256 N ALA A 16 2.014 -1.606 -8.298 1.00 0.00 N ATOM 257 CA ALA A 16 2.316 -1.279 -6.915 1.00 0.00 C ATOM 258 C ALA A 16 1.692 -2.333 -5.998 1.00 0.00 C ATOM 259 O ALA A 16 2.338 -2.813 -5.068 1.00 0.00 O ATOM 260 CB ALA A 16 1.818 0.134 -6.603 1.00 0.00 C ATOM 0 H ALA A 16 1.473 -0.899 -8.795 1.00 0.00 H new ATOM 0 HA ALA A 16 3.393 -1.290 -6.745 1.00 0.00 H new ATOM 0 HB1 ALA A 16 2.045 0.379 -5.565 1.00 0.00 H new ATOM 0 HB2 ALA A 16 2.313 0.848 -7.261 1.00 0.00 H new ATOM 0 HB3 ALA A 16 0.741 0.183 -6.760 1.00 0.00 H new ATOM 266 N VAL A 17 0.442 -2.661 -6.292 1.00 0.00 N ATOM 267 CA VAL A 17 -0.277 -3.649 -5.506 1.00 0.00 C ATOM 268 C VAL A 17 0.379 -5.019 -5.692 1.00 0.00 C ATOM 269 O VAL A 17 0.680 -5.704 -4.717 1.00 0.00 O ATOM 270 CB VAL A 17 -1.760 -3.640 -5.884 1.00 0.00 C ATOM 271 CG1 VAL A 17 -2.290 -5.065 -6.055 1.00 0.00 C ATOM 272 CG2 VAL A 17 -2.584 -2.868 -4.852 1.00 0.00 C ATOM 0 H VAL A 17 -0.091 -2.260 -7.064 1.00 0.00 H new ATOM 0 HA VAL A 17 -0.224 -3.405 -4.445 1.00 0.00 H new ATOM 0 HB VAL A 17 -1.859 -3.129 -6.841 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -3.346 -5.031 -6.323 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -1.731 -5.569 -6.844 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -2.171 -5.612 -5.120 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -3.634 -2.877 -5.144 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -2.476 -3.338 -3.875 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -2.230 -1.838 -4.801 1.00 0.00 H new ATOM 282 N GLU A 18 0.582 -5.376 -6.952 1.00 0.00 N ATOM 283 CA GLU A 18 1.197 -6.651 -7.278 1.00 0.00 C ATOM 284 C GLU A 18 2.515 -6.815 -6.519 1.00 0.00 C ATOM 285 O GLU A 18 2.771 -7.865 -5.932 1.00 0.00 O ATOM 286 CB GLU A 18 1.414 -6.785 -8.787 1.00 0.00 C ATOM 287 CG GLU A 18 0.643 -7.982 -9.347 1.00 0.00 C ATOM 288 CD GLU A 18 -0.864 -7.718 -9.335 1.00 0.00 C ATOM 289 OE1 GLU A 18 -1.377 -7.411 -8.238 1.00 0.00 O ATOM 290 OE2 GLU A 18 -1.469 -7.829 -10.424 1.00 0.00 O ATOM 0 H GLU A 18 0.331 -4.804 -7.759 1.00 0.00 H new ATOM 0 HA GLU A 18 0.520 -7.448 -6.968 1.00 0.00 H new ATOM 0 HB2 GLU A 18 1.090 -5.873 -9.287 1.00 0.00 H new ATOM 0 HB3 GLU A 18 2.477 -6.902 -8.996 1.00 0.00 H new ATOM 0 HG2 GLU A 18 0.972 -8.186 -10.366 1.00 0.00 H new ATOM 0 HG3 GLU A 18 0.865 -8.871 -8.756 1.00 0.00 H new ATOM 297 N GLU A 19 3.316 -5.760 -6.554 1.00 0.00 N ATOM 298 CA GLU A 19 4.602 -5.774 -5.876 1.00 0.00 C ATOM 299 C GLU A 19 4.437 -6.265 -4.436 1.00 0.00 C ATOM 300 O GLU A 19 5.328 -6.916 -3.893 1.00 0.00 O ATOM 301 CB GLU A 19 5.255 -4.391 -5.912 1.00 0.00 C ATOM 302 CG GLU A 19 6.398 -4.298 -4.899 1.00 0.00 C ATOM 303 CD GLU A 19 7.549 -5.230 -5.283 1.00 0.00 C ATOM 304 OE1 GLU A 19 8.153 -4.976 -6.348 1.00 0.00 O ATOM 305 OE2 GLU A 19 7.799 -6.175 -4.504 1.00 0.00 O ATOM 0 H GLU A 19 3.100 -4.890 -7.041 1.00 0.00 H new ATOM 0 HA GLU A 19 5.261 -6.465 -6.402 1.00 0.00 H new ATOM 0 HB2 GLU A 19 5.635 -4.190 -6.914 1.00 0.00 H new ATOM 0 HB3 GLU A 19 4.509 -3.627 -5.695 1.00 0.00 H new ATOM 0 HG2 GLU A 19 6.759 -3.271 -4.846 1.00 0.00 H new ATOM 0 HG3 GLU A 19 6.031 -4.558 -3.906 1.00 0.00 H new ATOM 312 N ILE A 20 3.291 -5.933 -3.859 1.00 0.00 N ATOM 313 CA ILE A 20 2.998 -6.332 -2.493 1.00 0.00 C ATOM 314 C ILE A 20 2.752 -7.842 -2.449 1.00 0.00 C ATOM 315 O ILE A 20 3.267 -8.533 -1.571 1.00 0.00 O ATOM 316 CB ILE A 20 1.842 -5.504 -1.929 1.00 0.00 C ATOM 317 CG1 ILE A 20 1.871 -4.076 -2.478 1.00 0.00 C ATOM 318 CG2 ILE A 20 1.844 -5.530 -0.399 1.00 0.00 C ATOM 319 CD1 ILE A 20 3.305 -3.549 -2.560 1.00 0.00 C ATOM 0 H ILE A 20 2.555 -5.392 -4.313 1.00 0.00 H new ATOM 0 HA ILE A 20 3.851 -6.128 -1.845 1.00 0.00 H new ATOM 0 HB ILE A 20 0.906 -5.956 -2.257 1.00 0.00 H new ATOM 0 HG12 ILE A 20 1.414 -4.054 -3.468 1.00 0.00 H new ATOM 0 HG13 ILE A 20 1.276 -3.424 -1.838 1.00 0.00 H new ATOM 0 HG21 ILE A 20 1.012 -4.934 -0.024 1.00 0.00 H new ATOM 0 HG22 ILE A 20 1.739 -6.558 -0.052 1.00 0.00 H new ATOM 0 HG23 ILE A 20 2.782 -5.117 -0.029 1.00 0.00 H new ATOM 0 HD11 ILE A 20 3.297 -2.532 -2.953 1.00 0.00 H new ATOM 0 HD12 ILE A 20 3.750 -3.550 -1.565 1.00 0.00 H new ATOM 0 HD13 ILE A 20 3.891 -4.189 -3.220 1.00 0.00 H new ATOM 331 N LYS A 21 1.965 -8.309 -3.406 1.00 0.00 N ATOM 332 CA LYS A 21 1.645 -9.724 -3.488 1.00 0.00 C ATOM 333 C LYS A 21 2.918 -10.514 -3.798 1.00 0.00 C ATOM 334 O LYS A 21 3.087 -11.636 -3.324 1.00 0.00 O ATOM 335 CB LYS A 21 0.514 -9.960 -4.491 1.00 0.00 C ATOM 336 CG LYS A 21 -0.789 -9.319 -4.011 1.00 0.00 C ATOM 337 CD LYS A 21 -1.756 -9.103 -5.177 1.00 0.00 C ATOM 338 CE LYS A 21 -3.155 -9.617 -4.830 1.00 0.00 C ATOM 339 NZ LYS A 21 -3.275 -11.055 -5.157 1.00 0.00 N ATOM 0 H LYS A 21 1.539 -7.733 -4.132 1.00 0.00 H new ATOM 0 HA LYS A 21 1.271 -10.086 -2.530 1.00 0.00 H new ATOM 0 HB2 LYS A 21 0.791 -9.546 -5.461 1.00 0.00 H new ATOM 0 HB3 LYS A 21 0.366 -11.031 -4.632 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -1.256 -9.955 -3.260 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -0.574 -8.364 -3.531 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -1.805 -8.042 -5.422 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -1.384 -9.618 -6.063 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -3.353 -9.461 -3.770 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -3.905 -9.049 -5.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -4.230 -11.387 -4.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -3.107 -11.195 -6.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -2.573 -11.595 -4.612 1.00 0.00 H new ATOM 353 N LYS A 22 3.780 -9.897 -4.593 1.00 0.00 N ATOM 354 CA LYS A 22 5.032 -10.528 -4.972 1.00 0.00 C ATOM 355 C LYS A 22 5.919 -10.676 -3.734 1.00 0.00 C ATOM 356 O LYS A 22 6.585 -11.696 -3.561 1.00 0.00 O ATOM 357 CB LYS A 22 5.696 -9.758 -6.115 1.00 0.00 C ATOM 358 CG LYS A 22 6.260 -10.715 -7.167 1.00 0.00 C ATOM 359 CD LYS A 22 7.771 -10.532 -7.321 1.00 0.00 C ATOM 360 CE LYS A 22 8.125 -10.060 -8.733 1.00 0.00 C ATOM 361 NZ LYS A 22 8.218 -11.213 -9.656 1.00 0.00 N ATOM 0 H LYS A 22 3.636 -8.966 -4.985 1.00 0.00 H new ATOM 0 HA LYS A 22 4.851 -11.531 -5.357 1.00 0.00 H new ATOM 0 HB2 LYS A 22 4.970 -9.090 -6.578 1.00 0.00 H new ATOM 0 HB3 LYS A 22 6.497 -9.133 -5.720 1.00 0.00 H new ATOM 0 HG2 LYS A 22 6.042 -11.744 -6.882 1.00 0.00 H new ATOM 0 HG3 LYS A 22 5.769 -10.539 -8.124 1.00 0.00 H new ATOM 0 HD2 LYS A 22 8.129 -9.807 -6.591 1.00 0.00 H new ATOM 0 HD3 LYS A 22 8.278 -11.474 -7.111 1.00 0.00 H new ATOM 0 HE2 LYS A 22 7.368 -9.361 -9.090 1.00 0.00 H new ATOM 0 HE3 LYS A 22 9.073 -9.522 -8.716 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 8.459 -10.876 -10.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 8.956 -11.866 -9.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 7.304 -11.709 -9.685 1.00 0.00 H new ATOM 375 N VAL A 23 5.900 -9.644 -2.904 1.00 0.00 N ATOM 376 CA VAL A 23 6.693 -9.646 -1.687 1.00 0.00 C ATOM 377 C VAL A 23 6.019 -10.541 -0.645 1.00 0.00 C ATOM 378 O VAL A 23 6.696 -11.203 0.140 1.00 0.00 O ATOM 379 CB VAL A 23 6.904 -8.212 -1.197 1.00 0.00 C ATOM 380 CG1 VAL A 23 6.921 -8.153 0.332 1.00 0.00 C ATOM 381 CG2 VAL A 23 8.185 -7.615 -1.783 1.00 0.00 C ATOM 0 H VAL A 23 5.347 -8.800 -3.051 1.00 0.00 H new ATOM 0 HA VAL A 23 7.684 -10.059 -1.878 1.00 0.00 H new ATOM 0 HB VAL A 23 6.064 -7.611 -1.547 1.00 0.00 H new ATOM 0 HG11 VAL A 23 7.072 -7.123 0.655 1.00 0.00 H new ATOM 0 HG12 VAL A 23 5.971 -8.519 0.721 1.00 0.00 H new ATOM 0 HG13 VAL A 23 7.732 -8.775 0.711 1.00 0.00 H new ATOM 0 HG21 VAL A 23 8.311 -6.595 -1.419 1.00 0.00 H new ATOM 0 HG22 VAL A 23 9.040 -8.218 -1.478 1.00 0.00 H new ATOM 0 HG23 VAL A 23 8.118 -7.606 -2.871 1.00 0.00 H new ATOM 391 N ALA A 24 4.695 -10.533 -0.673 1.00 0.00 N ATOM 392 CA ALA A 24 3.922 -11.336 0.259 1.00 0.00 C ATOM 393 C ALA A 24 4.034 -12.811 -0.130 1.00 0.00 C ATOM 394 O ALA A 24 4.321 -13.659 0.714 1.00 0.00 O ATOM 395 CB ALA A 24 2.472 -10.846 0.275 1.00 0.00 C ATOM 0 H ALA A 24 4.137 -9.983 -1.327 1.00 0.00 H new ATOM 0 HA ALA A 24 4.313 -11.231 1.271 1.00 0.00 H new ATOM 0 HB1 ALA A 24 1.892 -11.448 0.974 1.00 0.00 H new ATOM 0 HB2 ALA A 24 2.444 -9.802 0.586 1.00 0.00 H new ATOM 0 HB3 ALA A 24 2.046 -10.938 -0.724 1.00 0.00 H new ATOM 401 N GLN A 25 3.802 -13.072 -1.408 1.00 0.00 N ATOM 402 CA GLN A 25 3.874 -14.431 -1.919 1.00 0.00 C ATOM 403 C GLN A 25 5.268 -15.015 -1.679 1.00 0.00 C ATOM 404 O GLN A 25 5.451 -16.231 -1.724 1.00 0.00 O ATOM 405 CB GLN A 25 3.509 -14.478 -3.404 1.00 0.00 C ATOM 406 CG GLN A 25 4.717 -14.136 -4.277 1.00 0.00 C ATOM 407 CD GLN A 25 5.354 -15.403 -4.852 1.00 0.00 C ATOM 408 OE1 GLN A 25 6.043 -16.146 -4.172 1.00 0.00 O ATOM 409 NE2 GLN A 25 5.087 -15.607 -6.139 1.00 0.00 N ATOM 0 H GLN A 25 3.564 -12.366 -2.105 1.00 0.00 H new ATOM 0 HA GLN A 25 3.148 -15.040 -1.380 1.00 0.00 H new ATOM 0 HB2 GLN A 25 3.140 -15.471 -3.660 1.00 0.00 H new ATOM 0 HB3 GLN A 25 2.700 -13.776 -3.606 1.00 0.00 H new ATOM 0 HG2 GLN A 25 4.408 -13.479 -5.090 1.00 0.00 H new ATOM 0 HG3 GLN A 25 5.453 -13.590 -3.687 1.00 0.00 H new ATOM 0 HE21 GLN A 25 4.503 -14.945 -6.650 1.00 0.00 H new ATOM 0 HE22 GLN A 25 5.467 -16.425 -6.615 1.00 0.00 H new ATOM 418 N GLU A 26 6.214 -14.122 -1.429 1.00 0.00 N ATOM 419 CA GLU A 26 7.585 -14.534 -1.181 1.00 0.00 C ATOM 420 C GLU A 26 7.795 -14.813 0.308 1.00 0.00 C ATOM 421 O GLU A 26 8.825 -15.359 0.702 1.00 0.00 O ATOM 422 CB GLU A 26 8.574 -13.481 -1.687 1.00 0.00 C ATOM 423 CG GLU A 26 9.195 -13.907 -3.019 1.00 0.00 C ATOM 424 CD GLU A 26 10.641 -13.420 -3.130 1.00 0.00 C ATOM 425 OE1 GLU A 26 10.815 -12.198 -3.328 1.00 0.00 O ATOM 426 OE2 GLU A 26 11.540 -14.281 -3.014 1.00 0.00 O ATOM 0 H GLU A 26 6.058 -13.115 -1.393 1.00 0.00 H new ATOM 0 HA GLU A 26 7.772 -15.455 -1.733 1.00 0.00 H new ATOM 0 HB2 GLU A 26 8.063 -12.526 -1.809 1.00 0.00 H new ATOM 0 HB3 GLU A 26 9.360 -13.330 -0.947 1.00 0.00 H new ATOM 0 HG2 GLU A 26 9.165 -14.993 -3.107 1.00 0.00 H new ATOM 0 HG3 GLU A 26 8.607 -13.504 -3.844 1.00 0.00 H new ATOM 433 N ASN A 27 6.803 -14.425 1.096 1.00 0.00 N ATOM 434 CA ASN A 27 6.866 -14.626 2.534 1.00 0.00 C ATOM 435 C ASN A 27 5.688 -15.496 2.975 1.00 0.00 C ATOM 436 O ASN A 27 5.534 -15.784 4.161 1.00 0.00 O ATOM 437 CB ASN A 27 6.776 -13.293 3.281 1.00 0.00 C ATOM 438 CG ASN A 27 8.169 -12.724 3.557 1.00 0.00 C ATOM 439 OD1 ASN A 27 8.968 -13.293 4.282 1.00 0.00 O ATOM 440 ND2 ASN A 27 8.414 -11.572 2.939 1.00 0.00 N ATOM 0 H ASN A 27 5.951 -13.972 0.766 1.00 0.00 H new ATOM 0 HA ASN A 27 7.817 -15.106 2.766 1.00 0.00 H new ATOM 0 HB2 ASN A 27 6.198 -12.580 2.692 1.00 0.00 H new ATOM 0 HB3 ASN A 27 6.244 -13.434 4.222 1.00 0.00 H new ATOM 0 HD21 ASN A 27 9.316 -11.111 3.058 1.00 0.00 H new ATOM 0 HD22 ASN A 27 7.700 -11.150 2.346 1.00 0.00 H new ATOM 447 N ASN A 28 4.886 -15.891 1.996 1.00 0.00 N ATOM 448 CA ASN A 28 3.726 -16.722 2.269 1.00 0.00 C ATOM 449 C ASN A 28 2.763 -15.963 3.183 1.00 0.00 C ATOM 450 O ASN A 28 2.219 -16.532 4.128 1.00 0.00 O ATOM 451 CB ASN A 28 4.131 -18.016 2.979 1.00 0.00 C ATOM 452 CG ASN A 28 3.265 -19.189 2.516 1.00 0.00 C ATOM 453 OD1 ASN A 28 2.161 -19.404 2.989 1.00 0.00 O ATOM 454 ND2 ASN A 28 3.825 -19.934 1.567 1.00 0.00 N ATOM 0 H ASN A 28 5.017 -15.651 1.013 1.00 0.00 H new ATOM 0 HA ASN A 28 3.254 -16.965 1.317 1.00 0.00 H new ATOM 0 HB2 ASN A 28 5.180 -18.232 2.778 1.00 0.00 H new ATOM 0 HB3 ASN A 28 4.032 -17.890 4.057 1.00 0.00 H new ATOM 0 HD21 ASN A 28 3.327 -20.741 1.191 1.00 0.00 H new ATOM 0 HD22 ASN A 28 4.753 -19.699 1.215 1.00 0.00 H new ATOM 461 N ILE A 29 2.580 -14.688 2.869 1.00 0.00 N ATOM 462 CA ILE A 29 1.692 -13.845 3.650 1.00 0.00 C ATOM 463 C ILE A 29 0.343 -13.733 2.935 1.00 0.00 C ATOM 464 O ILE A 29 0.293 -13.610 1.713 1.00 0.00 O ATOM 465 CB ILE A 29 2.350 -12.494 3.937 1.00 0.00 C ATOM 466 CG1 ILE A 29 3.800 -12.676 4.389 1.00 0.00 C ATOM 467 CG2 ILE A 29 1.531 -11.688 4.946 1.00 0.00 C ATOM 468 CD1 ILE A 29 4.506 -11.325 4.523 1.00 0.00 C ATOM 0 H ILE A 29 3.032 -14.219 2.084 1.00 0.00 H new ATOM 0 HA ILE A 29 1.501 -14.293 4.625 1.00 0.00 H new ATOM 0 HB ILE A 29 2.371 -11.921 3.010 1.00 0.00 H new ATOM 0 HG12 ILE A 29 3.824 -13.199 5.345 1.00 0.00 H new ATOM 0 HG13 ILE A 29 4.333 -13.299 3.671 1.00 0.00 H new ATOM 0 HG21 ILE A 29 2.021 -10.732 5.132 1.00 0.00 H new ATOM 0 HG22 ILE A 29 0.532 -11.512 4.546 1.00 0.00 H new ATOM 0 HG23 ILE A 29 1.455 -12.244 5.880 1.00 0.00 H new ATOM 0 HD11 ILE A 29 5.535 -11.483 4.846 1.00 0.00 H new ATOM 0 HD12 ILE A 29 4.502 -10.815 3.560 1.00 0.00 H new ATOM 0 HD13 ILE A 29 3.985 -10.713 5.259 1.00 0.00 H new ATOM 480 N GLU A 30 -0.716 -13.779 3.729 1.00 0.00 N ATOM 481 CA GLU A 30 -2.061 -13.684 3.188 1.00 0.00 C ATOM 482 C GLU A 30 -2.717 -12.372 3.623 1.00 0.00 C ATOM 483 O GLU A 30 -3.892 -12.139 3.344 1.00 0.00 O ATOM 484 CB GLU A 30 -2.908 -14.887 3.610 1.00 0.00 C ATOM 485 CG GLU A 30 -3.374 -15.684 2.390 1.00 0.00 C ATOM 486 CD GLU A 30 -4.117 -16.952 2.815 1.00 0.00 C ATOM 487 OE1 GLU A 30 -3.426 -17.977 3.005 1.00 0.00 O ATOM 488 OE2 GLU A 30 -5.357 -16.869 2.941 1.00 0.00 O ATOM 0 H GLU A 30 -0.670 -13.881 4.743 1.00 0.00 H new ATOM 0 HA GLU A 30 -1.995 -13.691 2.100 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -2.327 -15.532 4.270 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -3.773 -14.546 4.178 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -4.026 -15.065 1.774 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -2.514 -15.951 1.775 1.00 0.00 H new ATOM 495 N ASN A 31 -1.929 -11.549 4.300 1.00 0.00 N ATOM 496 CA ASN A 31 -2.418 -10.267 4.776 1.00 0.00 C ATOM 497 C ASN A 31 -1.251 -9.281 4.863 1.00 0.00 C ATOM 498 O ASN A 31 -0.884 -8.844 5.953 1.00 0.00 O ATOM 499 CB ASN A 31 -3.034 -10.396 6.171 1.00 0.00 C ATOM 500 CG ASN A 31 -4.529 -10.708 6.083 1.00 0.00 C ATOM 501 OD1 ASN A 31 -5.354 -9.851 5.816 1.00 0.00 O ATOM 502 ND2 ASN A 31 -4.830 -11.981 6.324 1.00 0.00 N ATOM 0 H ASN A 31 -0.955 -11.746 4.530 1.00 0.00 H new ATOM 0 HA ASN A 31 -3.177 -9.915 4.078 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -2.526 -11.185 6.725 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -2.884 -9.470 6.726 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -5.801 -12.290 6.291 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -4.089 -12.648 6.542 1.00 0.00 H new ATOM 509 N PRO A 32 -0.687 -8.951 3.671 1.00 0.00 N ATOM 510 CA PRO A 32 0.431 -8.026 3.602 1.00 0.00 C ATOM 511 C PRO A 32 -0.037 -6.585 3.819 1.00 0.00 C ATOM 512 O PRO A 32 -0.901 -6.093 3.095 1.00 0.00 O ATOM 513 CB PRO A 32 1.045 -8.251 2.230 1.00 0.00 C ATOM 514 CG PRO A 32 -0.022 -8.954 1.407 1.00 0.00 C ATOM 515 CD PRO A 32 -1.096 -9.449 2.361 1.00 0.00 C ATOM 0 HA PRO A 32 1.169 -8.198 4.386 1.00 0.00 H new ATOM 0 HB2 PRO A 32 1.333 -7.305 1.771 1.00 0.00 H new ATOM 0 HB3 PRO A 32 1.947 -8.858 2.301 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -0.449 -8.271 0.673 1.00 0.00 H new ATOM 0 HG3 PRO A 32 0.410 -9.787 0.853 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -2.079 -9.069 2.082 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -1.161 -10.537 2.354 1.00 0.00 H new ATOM 523 N ILE A 33 0.555 -5.949 4.819 1.00 0.00 N ATOM 524 CA ILE A 33 0.210 -4.574 5.140 1.00 0.00 C ATOM 525 C ILE A 33 1.239 -3.634 4.509 1.00 0.00 C ATOM 526 O ILE A 33 2.338 -3.466 5.037 1.00 0.00 O ATOM 527 CB ILE A 33 0.063 -4.398 6.653 1.00 0.00 C ATOM 528 CG1 ILE A 33 -1.255 -4.997 7.148 1.00 0.00 C ATOM 529 CG2 ILE A 33 0.210 -2.928 7.051 1.00 0.00 C ATOM 530 CD1 ILE A 33 -1.006 -6.065 8.215 1.00 0.00 C ATOM 0 H ILE A 33 1.271 -6.360 5.418 1.00 0.00 H new ATOM 0 HA ILE A 33 -0.760 -4.316 4.716 1.00 0.00 H new ATOM 0 HB ILE A 33 0.869 -4.945 7.141 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -1.886 -4.208 7.558 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -1.797 -5.435 6.310 1.00 0.00 H new ATOM 0 HG21 ILE A 33 0.101 -2.831 8.131 1.00 0.00 H new ATOM 0 HG22 ILE A 33 1.194 -2.567 6.751 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -0.560 -2.338 6.554 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -1.959 -6.474 8.550 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -0.396 -6.864 7.794 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -0.486 -5.618 9.062 1.00 0.00 H new ATOM 542 N LEU A 34 0.847 -3.046 3.388 1.00 0.00 N ATOM 543 CA LEU A 34 1.722 -2.127 2.680 1.00 0.00 C ATOM 544 C LEU A 34 1.477 -0.704 3.185 1.00 0.00 C ATOM 545 O LEU A 34 0.394 -0.152 2.996 1.00 0.00 O ATOM 546 CB LEU A 34 1.549 -2.281 1.168 1.00 0.00 C ATOM 547 CG LEU A 34 1.791 -1.021 0.333 1.00 0.00 C ATOM 548 CD1 LEU A 34 3.287 -0.761 0.154 1.00 0.00 C ATOM 549 CD2 LEU A 34 1.058 -1.103 -1.008 1.00 0.00 C ATOM 0 H LEU A 34 -0.064 -3.188 2.953 1.00 0.00 H new ATOM 0 HA LEU A 34 2.767 -2.362 2.884 1.00 0.00 H new ATOM 0 HB2 LEU A 34 2.230 -3.059 0.822 1.00 0.00 H new ATOM 0 HB3 LEU A 34 0.536 -2.634 0.972 1.00 0.00 H new ATOM 0 HG LEU A 34 1.379 -0.169 0.873 1.00 0.00 H new ATOM 0 HD11 LEU A 34 3.431 0.140 -0.443 1.00 0.00 H new ATOM 0 HD12 LEU A 34 3.752 -0.628 1.131 1.00 0.00 H new ATOM 0 HD13 LEU A 34 3.746 -1.610 -0.354 1.00 0.00 H new ATOM 0 HD21 LEU A 34 1.246 -0.196 -1.582 1.00 0.00 H new ATOM 0 HD22 LEU A 34 1.418 -1.967 -1.567 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -0.013 -1.205 -0.832 1.00 0.00 H new ATOM 561 N ARG A 35 2.500 -0.150 3.819 1.00 0.00 N ATOM 562 CA ARG A 35 2.409 1.198 4.353 1.00 0.00 C ATOM 563 C ARG A 35 3.133 2.184 3.432 1.00 0.00 C ATOM 564 O ARG A 35 4.324 2.030 3.167 1.00 0.00 O ATOM 565 CB ARG A 35 3.019 1.278 5.754 1.00 0.00 C ATOM 566 CG ARG A 35 4.548 1.295 5.686 1.00 0.00 C ATOM 567 CD ARG A 35 5.160 0.847 7.015 1.00 0.00 C ATOM 568 NE ARG A 35 5.675 2.020 7.756 1.00 0.00 N ATOM 569 CZ ARG A 35 6.400 1.940 8.880 1.00 0.00 C ATOM 570 NH1 ARG A 35 6.700 0.742 9.399 1.00 0.00 N ATOM 571 NH2 ARG A 35 6.825 3.058 9.484 1.00 0.00 N ATOM 0 H ARG A 35 3.397 -0.611 3.975 1.00 0.00 H new ATOM 0 HA ARG A 35 1.353 1.460 4.413 1.00 0.00 H new ATOM 0 HB2 ARG A 35 2.664 2.177 6.258 1.00 0.00 H new ATOM 0 HB3 ARG A 35 2.687 0.427 6.348 1.00 0.00 H new ATOM 0 HG2 ARG A 35 4.887 0.638 4.885 1.00 0.00 H new ATOM 0 HG3 ARG A 35 4.894 2.300 5.442 1.00 0.00 H new ATOM 0 HD2 ARG A 35 4.411 0.329 7.613 1.00 0.00 H new ATOM 0 HD3 ARG A 35 5.968 0.138 6.832 1.00 0.00 H new ATOM 0 HE ARG A 35 5.465 2.948 7.388 1.00 0.00 H new ATOM 0 HH11 ARG A 35 6.377 -0.109 8.939 1.00 0.00 H new ATOM 0 HH12 ARG A 35 7.252 0.681 10.255 1.00 0.00 H new ATOM 0 HH21 ARG A 35 6.597 3.970 9.088 1.00 0.00 H new ATOM 0 HH22 ARG A 35 7.377 2.997 10.340 1.00 0.00 H new ATOM 585 N ILE A 36 2.382 3.173 2.972 1.00 0.00 N ATOM 586 CA ILE A 36 2.937 4.184 2.087 1.00 0.00 C ATOM 587 C ILE A 36 3.511 5.329 2.924 1.00 0.00 C ATOM 588 O ILE A 36 2.763 6.097 3.526 1.00 0.00 O ATOM 589 CB ILE A 36 1.891 4.633 1.065 1.00 0.00 C ATOM 590 CG1 ILE A 36 1.781 3.630 -0.085 1.00 0.00 C ATOM 591 CG2 ILE A 36 2.186 6.049 0.564 1.00 0.00 C ATOM 592 CD1 ILE A 36 0.713 2.575 0.209 1.00 0.00 C ATOM 0 H ILE A 36 1.394 3.296 3.195 1.00 0.00 H new ATOM 0 HA ILE A 36 3.761 3.771 1.505 1.00 0.00 H new ATOM 0 HB ILE A 36 0.921 4.662 1.561 1.00 0.00 H new ATOM 0 HG12 ILE A 36 1.535 4.155 -1.008 1.00 0.00 H new ATOM 0 HG13 ILE A 36 2.744 3.144 -0.242 1.00 0.00 H new ATOM 0 HG21 ILE A 36 1.428 6.344 -0.161 1.00 0.00 H new ATOM 0 HG22 ILE A 36 2.173 6.743 1.405 1.00 0.00 H new ATOM 0 HG23 ILE A 36 3.168 6.070 0.091 1.00 0.00 H new ATOM 0 HD11 ILE A 36 0.655 1.874 -0.624 1.00 0.00 H new ATOM 0 HD12 ILE A 36 0.975 2.036 1.119 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -0.253 3.062 0.341 1.00 0.00 H new ATOM 604 N ARG A 37 4.834 5.406 2.934 1.00 0.00 N ATOM 605 CA ARG A 37 5.517 6.444 3.687 1.00 0.00 C ATOM 606 C ARG A 37 6.439 7.247 2.767 1.00 0.00 C ATOM 607 O ARG A 37 6.884 6.745 1.736 1.00 0.00 O ATOM 608 CB ARG A 37 6.341 5.845 4.828 1.00 0.00 C ATOM 609 CG ARG A 37 7.655 5.259 4.307 1.00 0.00 C ATOM 610 CD ARG A 37 8.034 3.993 5.077 1.00 0.00 C ATOM 611 NE ARG A 37 9.182 4.269 5.970 1.00 0.00 N ATOM 612 CZ ARG A 37 9.748 3.355 6.770 1.00 0.00 C ATOM 613 NH1 ARG A 37 9.276 2.101 6.793 1.00 0.00 N ATOM 614 NH2 ARG A 37 10.786 3.695 7.546 1.00 0.00 N ATOM 0 H ARG A 37 5.451 4.767 2.433 1.00 0.00 H new ATOM 0 HA ARG A 37 4.758 7.102 4.110 1.00 0.00 H new ATOM 0 HB2 ARG A 37 6.551 6.614 5.572 1.00 0.00 H new ATOM 0 HB3 ARG A 37 5.765 5.067 5.328 1.00 0.00 H new ATOM 0 HG2 ARG A 37 7.559 5.029 3.246 1.00 0.00 H new ATOM 0 HG3 ARG A 37 8.450 5.998 4.402 1.00 0.00 H new ATOM 0 HD2 ARG A 37 7.183 3.645 5.662 1.00 0.00 H new ATOM 0 HD3 ARG A 37 8.289 3.195 4.379 1.00 0.00 H new ATOM 0 HE ARG A 37 9.566 5.214 5.977 1.00 0.00 H new ATOM 0 HH11 ARG A 37 8.486 1.842 6.202 1.00 0.00 H new ATOM 0 HH12 ARG A 37 9.707 1.405 7.402 1.00 0.00 H new ATOM 0 HH21 ARG A 37 11.145 4.649 7.528 1.00 0.00 H new ATOM 0 HH22 ARG A 37 11.217 2.999 8.155 1.00 0.00 H new ATOM 628 N VAL A 38 6.700 8.481 3.174 1.00 0.00 N ATOM 629 CA VAL A 38 7.562 9.357 2.400 1.00 0.00 C ATOM 630 C VAL A 38 9.021 8.953 2.617 1.00 0.00 C ATOM 631 O VAL A 38 9.354 8.334 3.627 1.00 0.00 O ATOM 632 CB VAL A 38 7.285 10.818 2.764 1.00 0.00 C ATOM 633 CG1 VAL A 38 8.205 11.760 1.985 1.00 0.00 C ATOM 634 CG2 VAL A 38 5.815 11.171 2.533 1.00 0.00 C ATOM 0 H VAL A 38 6.329 8.894 4.030 1.00 0.00 H new ATOM 0 HA VAL A 38 7.352 9.255 1.335 1.00 0.00 H new ATOM 0 HB VAL A 38 7.497 10.945 3.826 1.00 0.00 H new ATOM 0 HG11 VAL A 38 7.988 12.792 2.262 1.00 0.00 H new ATOM 0 HG12 VAL A 38 9.244 11.532 2.222 1.00 0.00 H new ATOM 0 HG13 VAL A 38 8.039 11.629 0.916 1.00 0.00 H new ATOM 0 HG21 VAL A 38 5.645 12.214 2.799 1.00 0.00 H new ATOM 0 HG22 VAL A 38 5.565 11.019 1.483 1.00 0.00 H new ATOM 0 HG23 VAL A 38 5.186 10.531 3.152 1.00 0.00 H new ATOM 644 N VAL A 39 9.853 9.319 1.653 1.00 0.00 N ATOM 645 CA VAL A 39 11.269 9.002 1.726 1.00 0.00 C ATOM 646 C VAL A 39 12.085 10.273 1.477 1.00 0.00 C ATOM 647 O VAL A 39 11.828 11.003 0.522 1.00 0.00 O ATOM 648 CB VAL A 39 11.605 7.875 0.748 1.00 0.00 C ATOM 649 CG1 VAL A 39 13.108 7.591 0.733 1.00 0.00 C ATOM 650 CG2 VAL A 39 10.810 6.610 1.076 1.00 0.00 C ATOM 0 H VAL A 39 9.573 9.832 0.817 1.00 0.00 H new ATOM 0 HA VAL A 39 11.528 8.638 2.720 1.00 0.00 H new ATOM 0 HB VAL A 39 11.317 8.202 -0.251 1.00 0.00 H new ATOM 0 HG11 VAL A 39 13.319 6.786 0.029 1.00 0.00 H new ATOM 0 HG12 VAL A 39 13.645 8.489 0.428 1.00 0.00 H new ATOM 0 HG13 VAL A 39 13.432 7.295 1.731 1.00 0.00 H new ATOM 0 HG21 VAL A 39 11.067 5.824 0.366 1.00 0.00 H new ATOM 0 HG22 VAL A 39 11.052 6.280 2.086 1.00 0.00 H new ATOM 0 HG23 VAL A 39 9.743 6.823 1.010 1.00 0.00 H new ATOM 660 N PRO A 40 13.078 10.503 2.378 1.00 0.00 N ATOM 661 CA PRO A 40 13.934 11.673 2.265 1.00 0.00 C ATOM 662 C PRO A 40 14.951 11.501 1.135 1.00 0.00 C ATOM 663 O PRO A 40 16.148 11.371 1.387 1.00 0.00 O ATOM 664 CB PRO A 40 14.583 11.818 3.632 1.00 0.00 C ATOM 665 CG PRO A 40 14.430 10.467 4.312 1.00 0.00 C ATOM 666 CD PRO A 40 13.412 9.661 3.522 1.00 0.00 C ATOM 0 HA PRO A 40 13.382 12.575 2.003 1.00 0.00 H new ATOM 0 HB2 PRO A 40 15.634 12.091 3.538 1.00 0.00 H new ATOM 0 HB3 PRO A 40 14.100 12.604 4.212 1.00 0.00 H new ATOM 0 HG2 PRO A 40 15.387 9.946 4.345 1.00 0.00 H new ATOM 0 HG3 PRO A 40 14.100 10.594 5.343 1.00 0.00 H new ATOM 0 HD2 PRO A 40 13.826 8.705 3.202 1.00 0.00 H new ATOM 0 HD3 PRO A 40 12.529 9.441 4.123 1.00 0.00 H new ATOM 674 N GLY A 41 14.437 11.507 -0.086 1.00 0.00 N ATOM 675 CA GLY A 41 15.286 11.354 -1.256 1.00 0.00 C ATOM 676 C GLY A 41 14.814 12.256 -2.398 1.00 0.00 C ATOM 677 O GLY A 41 15.564 13.108 -2.872 1.00 0.00 O ATOM 0 H GLY A 41 13.444 11.615 -0.291 1.00 0.00 H new ATOM 0 HA2 GLY A 41 16.316 11.599 -0.997 1.00 0.00 H new ATOM 0 HA3 GLY A 41 15.278 10.314 -1.582 1.00 0.00 H new ATOM 681 N GLY A 42 13.572 12.038 -2.807 1.00 0.00 N ATOM 682 CA GLY A 42 12.991 12.821 -3.884 1.00 0.00 C ATOM 683 C GLY A 42 13.192 14.319 -3.644 1.00 0.00 C ATOM 684 O GLY A 42 12.568 14.898 -2.757 1.00 0.00 O ATOM 0 H GLY A 42 12.953 11.331 -2.412 1.00 0.00 H new ATOM 0 HA2 GLY A 42 13.447 12.537 -4.832 1.00 0.00 H new ATOM 0 HA3 GLY A 42 11.926 12.602 -3.964 1.00 0.00 H new ATOM 688 N CYS A 43 14.067 14.903 -4.450 1.00 0.00 N ATOM 689 CA CYS A 43 14.358 16.321 -4.336 1.00 0.00 C ATOM 690 C CYS A 43 13.200 17.101 -4.962 1.00 0.00 C ATOM 691 O CYS A 43 12.767 18.118 -4.420 1.00 0.00 O ATOM 692 CB CYS A 43 15.699 16.677 -4.981 1.00 0.00 C ATOM 693 SG CYS A 43 16.400 18.169 -4.186 1.00 0.00 S ATOM 0 H CYS A 43 14.584 14.419 -5.185 1.00 0.00 H new ATOM 0 HA CYS A 43 14.451 16.592 -3.284 1.00 0.00 H new ATOM 0 HB2 CYS A 43 16.393 15.842 -4.882 1.00 0.00 H new ATOM 0 HB3 CYS A 43 15.563 16.853 -6.048 1.00 0.00 H new ATOM 0 HG CYS A 43 17.539 18.461 -4.740 1.00 0.00 H new ATOM 699 N SER A 44 12.731 16.596 -6.093 1.00 0.00 N ATOM 700 CA SER A 44 11.631 17.232 -6.798 1.00 0.00 C ATOM 701 C SER A 44 10.306 16.581 -6.398 1.00 0.00 C ATOM 702 O SER A 44 9.308 17.270 -6.191 1.00 0.00 O ATOM 703 CB SER A 44 11.827 17.150 -8.313 1.00 0.00 C ATOM 704 OG SER A 44 12.984 17.862 -8.741 1.00 0.00 O ATOM 0 H SER A 44 13.093 15.753 -6.539 1.00 0.00 H new ATOM 0 HA SER A 44 11.609 18.285 -6.518 1.00 0.00 H new ATOM 0 HB2 SER A 44 11.913 16.105 -8.611 1.00 0.00 H new ATOM 0 HB3 SER A 44 10.947 17.553 -8.815 1.00 0.00 H new ATOM 0 HG SER A 44 13.075 17.784 -9.714 1.00 0.00 H new ATOM 710 N GLY A 45 10.339 15.260 -6.300 1.00 0.00 N ATOM 711 CA GLY A 45 9.153 14.507 -5.928 1.00 0.00 C ATOM 712 C GLY A 45 9.490 13.422 -4.903 1.00 0.00 C ATOM 713 O GLY A 45 10.108 12.414 -5.242 1.00 0.00 O ATOM 0 H GLY A 45 11.168 14.692 -6.472 1.00 0.00 H new ATOM 0 HA2 GLY A 45 8.404 15.183 -5.515 1.00 0.00 H new ATOM 0 HA3 GLY A 45 8.715 14.050 -6.815 1.00 0.00 H new ATOM 717 N PHE A 46 9.070 13.667 -3.671 1.00 0.00 N ATOM 718 CA PHE A 46 9.320 12.724 -2.594 1.00 0.00 C ATOM 719 C PHE A 46 8.510 11.441 -2.790 1.00 0.00 C ATOM 720 O PHE A 46 7.402 11.317 -2.269 1.00 0.00 O ATOM 721 CB PHE A 46 8.877 13.400 -1.295 1.00 0.00 C ATOM 722 CG PHE A 46 9.683 14.651 -0.939 1.00 0.00 C ATOM 723 CD1 PHE A 46 11.016 14.553 -0.690 1.00 0.00 C ATOM 724 CD2 PHE A 46 9.065 15.861 -0.870 1.00 0.00 C ATOM 725 CE1 PHE A 46 11.764 15.714 -0.359 1.00 0.00 C ATOM 726 CE2 PHE A 46 9.812 17.022 -0.540 1.00 0.00 C ATOM 727 CZ PHE A 46 11.146 16.924 -0.291 1.00 0.00 C ATOM 0 H PHE A 46 8.558 14.505 -3.394 1.00 0.00 H new ATOM 0 HA PHE A 46 10.376 12.455 -2.572 1.00 0.00 H new ATOM 0 HB2 PHE A 46 7.824 13.670 -1.378 1.00 0.00 H new ATOM 0 HB3 PHE A 46 8.958 12.683 -0.478 1.00 0.00 H new ATOM 0 HD1 PHE A 46 11.506 13.592 -0.744 1.00 0.00 H new ATOM 0 HD2 PHE A 46 8.006 15.938 -1.066 1.00 0.00 H new ATOM 0 HE1 PHE A 46 12.823 15.636 -0.161 1.00 0.00 H new ATOM 0 HE2 PHE A 46 9.322 17.983 -0.487 1.00 0.00 H new ATOM 0 HZ PHE A 46 11.714 17.807 -0.039 1.00 0.00 H new ATOM 737 N GLN A 47 9.093 10.519 -3.541 1.00 0.00 N ATOM 738 CA GLN A 47 8.439 9.250 -3.812 1.00 0.00 C ATOM 739 C GLN A 47 8.411 8.387 -2.549 1.00 0.00 C ATOM 740 O GLN A 47 9.389 8.338 -1.804 1.00 0.00 O ATOM 741 CB GLN A 47 9.126 8.513 -4.964 1.00 0.00 C ATOM 742 CG GLN A 47 10.648 8.551 -4.808 1.00 0.00 C ATOM 743 CD GLN A 47 11.262 9.641 -5.690 1.00 0.00 C ATOM 744 OE1 GLN A 47 11.832 10.610 -5.217 1.00 0.00 O ATOM 745 NE2 GLN A 47 11.114 9.428 -6.994 1.00 0.00 N ATOM 0 H GLN A 47 10.012 10.625 -3.971 1.00 0.00 H new ATOM 0 HA GLN A 47 7.411 9.451 -4.115 1.00 0.00 H new ATOM 0 HB2 GLN A 47 8.785 7.478 -4.993 1.00 0.00 H new ATOM 0 HB3 GLN A 47 8.842 8.969 -5.913 1.00 0.00 H new ATOM 0 HG2 GLN A 47 10.906 8.734 -3.765 1.00 0.00 H new ATOM 0 HG3 GLN A 47 11.069 7.582 -5.075 1.00 0.00 H new ATOM 0 HE21 GLN A 47 10.626 8.595 -7.322 1.00 0.00 H new ATOM 0 HE22 GLN A 47 11.489 10.098 -7.666 1.00 0.00 H new ATOM 754 N TYR A 48 7.279 7.728 -2.346 1.00 0.00 N ATOM 755 CA TYR A 48 7.111 6.870 -1.186 1.00 0.00 C ATOM 756 C TYR A 48 7.708 5.484 -1.437 1.00 0.00 C ATOM 757 O TYR A 48 7.660 4.978 -2.557 1.00 0.00 O ATOM 758 CB TYR A 48 5.601 6.732 -0.979 1.00 0.00 C ATOM 759 CG TYR A 48 4.935 7.982 -0.401 1.00 0.00 C ATOM 760 CD1 TYR A 48 4.974 9.171 -1.101 1.00 0.00 C ATOM 761 CD2 TYR A 48 4.296 7.922 0.821 1.00 0.00 C ATOM 762 CE1 TYR A 48 4.347 10.348 -0.557 1.00 0.00 C ATOM 763 CE2 TYR A 48 3.670 9.099 1.365 1.00 0.00 C ATOM 764 CZ TYR A 48 3.726 10.254 0.649 1.00 0.00 C ATOM 765 OH TYR A 48 3.134 11.365 1.163 1.00 0.00 O ATOM 0 H TYR A 48 6.470 7.771 -2.965 1.00 0.00 H new ATOM 0 HA TYR A 48 7.615 7.295 -0.318 1.00 0.00 H new ATOM 0 HB2 TYR A 48 5.134 6.493 -1.935 1.00 0.00 H new ATOM 0 HB3 TYR A 48 5.411 5.891 -0.312 1.00 0.00 H new ATOM 0 HD1 TYR A 48 5.475 9.219 -2.057 1.00 0.00 H new ATOM 0 HD2 TYR A 48 4.266 6.992 1.369 1.00 0.00 H new ATOM 0 HE1 TYR A 48 4.370 11.284 -1.095 1.00 0.00 H new ATOM 0 HE2 TYR A 48 3.167 9.065 2.320 1.00 0.00 H new ATOM 0 HH TYR A 48 2.202 11.164 1.390 1.00 0.00 H new ATOM 775 N ALA A 49 8.256 4.910 -0.377 1.00 0.00 N ATOM 776 CA ALA A 49 8.862 3.592 -0.469 1.00 0.00 C ATOM 777 C ALA A 49 7.813 2.529 -0.136 1.00 0.00 C ATOM 778 O ALA A 49 6.805 2.825 0.503 1.00 0.00 O ATOM 779 CB ALA A 49 10.077 3.523 0.459 1.00 0.00 C ATOM 0 H ALA A 49 8.293 5.333 0.550 1.00 0.00 H new ATOM 0 HA ALA A 49 9.215 3.401 -1.483 1.00 0.00 H new ATOM 0 HB1 ALA A 49 10.532 2.535 0.390 1.00 0.00 H new ATOM 0 HB2 ALA A 49 10.805 4.279 0.163 1.00 0.00 H new ATOM 0 HB3 ALA A 49 9.761 3.706 1.486 1.00 0.00 H new ATOM 785 N MET A 50 8.087 1.313 -0.585 1.00 0.00 N ATOM 786 CA MET A 50 7.179 0.204 -0.343 1.00 0.00 C ATOM 787 C MET A 50 7.762 -0.766 0.686 1.00 0.00 C ATOM 788 O MET A 50 8.976 -0.954 0.750 1.00 0.00 O ATOM 789 CB MET A 50 6.919 -0.538 -1.655 1.00 0.00 C ATOM 790 CG MET A 50 5.917 -1.677 -1.451 1.00 0.00 C ATOM 791 SD MET A 50 6.710 -3.248 -1.753 1.00 0.00 S ATOM 792 CE MET A 50 6.239 -4.123 -0.271 1.00 0.00 C ATOM 0 H MET A 50 8.924 1.071 -1.115 1.00 0.00 H new ATOM 0 HA MET A 50 6.244 0.603 0.050 1.00 0.00 H new ATOM 0 HB2 MET A 50 6.537 0.158 -2.401 1.00 0.00 H new ATOM 0 HB3 MET A 50 7.856 -0.938 -2.043 1.00 0.00 H new ATOM 0 HG2 MET A 50 5.523 -1.648 -0.435 1.00 0.00 H new ATOM 0 HG3 MET A 50 5.070 -1.552 -2.125 1.00 0.00 H new ATOM 0 HE1 MET A 50 7.134 -4.423 0.274 1.00 0.00 H new ATOM 0 HE2 MET A 50 5.632 -3.472 0.358 1.00 0.00 H new ATOM 0 HE3 MET A 50 5.663 -5.009 -0.539 1.00 0.00 H new ATOM 802 N GLY A 51 6.869 -1.358 1.466 1.00 0.00 N ATOM 803 CA GLY A 51 7.279 -2.305 2.489 1.00 0.00 C ATOM 804 C GLY A 51 6.064 -2.909 3.196 1.00 0.00 C ATOM 805 O GLY A 51 4.930 -2.507 2.941 1.00 0.00 O ATOM 0 H GLY A 51 5.863 -1.200 1.410 1.00 0.00 H new ATOM 0 HA2 GLY A 51 7.873 -3.099 2.037 1.00 0.00 H new ATOM 0 HA3 GLY A 51 7.917 -1.805 3.218 1.00 0.00 H new ATOM 809 N PHE A 52 6.343 -3.864 4.071 1.00 0.00 N ATOM 810 CA PHE A 52 5.287 -4.528 4.816 1.00 0.00 C ATOM 811 C PHE A 52 5.445 -4.290 6.320 1.00 0.00 C ATOM 812 O PHE A 52 6.502 -4.561 6.887 1.00 0.00 O ATOM 813 CB PHE A 52 5.413 -6.026 4.533 1.00 0.00 C ATOM 814 CG PHE A 52 6.812 -6.460 4.090 1.00 0.00 C ATOM 815 CD1 PHE A 52 7.280 -6.099 2.866 1.00 0.00 C ATOM 816 CD2 PHE A 52 7.587 -7.208 4.921 1.00 0.00 C ATOM 817 CE1 PHE A 52 8.578 -6.502 2.455 1.00 0.00 C ATOM 818 CE2 PHE A 52 8.885 -7.611 4.510 1.00 0.00 C ATOM 819 CZ PHE A 52 9.353 -7.250 3.286 1.00 0.00 C ATOM 0 H PHE A 52 7.285 -4.194 4.281 1.00 0.00 H new ATOM 0 HA PHE A 52 4.316 -4.137 4.513 1.00 0.00 H new ATOM 0 HB2 PHE A 52 5.140 -6.579 5.431 1.00 0.00 H new ATOM 0 HB3 PHE A 52 4.696 -6.301 3.759 1.00 0.00 H new ATOM 0 HD1 PHE A 52 6.665 -5.506 2.206 1.00 0.00 H new ATOM 0 HD2 PHE A 52 7.215 -7.495 5.893 1.00 0.00 H new ATOM 0 HE1 PHE A 52 8.950 -6.215 1.483 1.00 0.00 H new ATOM 0 HE2 PHE A 52 9.500 -8.204 5.170 1.00 0.00 H new ATOM 0 HZ PHE A 52 10.340 -7.557 2.973 1.00 0.00 H new ATOM 829 N ASP A 53 4.378 -3.786 6.922 1.00 0.00 N ATOM 830 CA ASP A 53 4.384 -3.508 8.348 1.00 0.00 C ATOM 831 C ASP A 53 3.977 -4.771 9.111 1.00 0.00 C ATOM 832 O ASP A 53 3.634 -5.784 8.503 1.00 0.00 O ATOM 833 CB ASP A 53 3.388 -2.402 8.698 1.00 0.00 C ATOM 834 CG ASP A 53 3.932 -1.309 9.621 1.00 0.00 C ATOM 835 OD1 ASP A 53 5.143 -1.374 9.924 1.00 0.00 O ATOM 836 OD2 ASP A 53 3.125 -0.434 10.001 1.00 0.00 O ATOM 0 H ASP A 53 3.503 -3.563 6.448 1.00 0.00 H new ATOM 0 HA ASP A 53 5.389 -3.188 8.625 1.00 0.00 H new ATOM 0 HB2 ASP A 53 3.044 -1.938 7.774 1.00 0.00 H new ATOM 0 HB3 ASP A 53 2.517 -2.855 9.171 1.00 0.00 H new ATOM 841 N ASP A 54 4.028 -4.668 10.431 1.00 0.00 N ATOM 842 CA ASP A 54 3.669 -5.789 11.282 1.00 0.00 C ATOM 843 C ASP A 54 2.166 -5.748 11.566 1.00 0.00 C ATOM 844 O ASP A 54 1.529 -6.790 11.711 1.00 0.00 O ATOM 845 CB ASP A 54 4.404 -5.721 12.622 1.00 0.00 C ATOM 846 CG ASP A 54 5.132 -7.005 13.027 1.00 0.00 C ATOM 847 OD1 ASP A 54 6.005 -7.433 12.242 1.00 0.00 O ATOM 848 OD2 ASP A 54 4.798 -7.528 14.112 1.00 0.00 O ATOM 0 H ASP A 54 4.312 -3.826 10.931 1.00 0.00 H new ATOM 0 HA ASP A 54 3.946 -6.707 10.764 1.00 0.00 H new ATOM 0 HB2 ASP A 54 5.129 -4.908 12.581 1.00 0.00 H new ATOM 0 HB3 ASP A 54 3.685 -5.468 13.401 1.00 0.00 H new ATOM 853 N THR A 55 1.642 -4.533 11.635 1.00 0.00 N ATOM 854 CA THR A 55 0.226 -4.341 11.898 1.00 0.00 C ATOM 855 C THR A 55 -0.185 -2.901 11.585 1.00 0.00 C ATOM 856 O THR A 55 0.665 -2.055 11.313 1.00 0.00 O ATOM 857 CB THR A 55 -0.045 -4.749 13.348 1.00 0.00 C ATOM 858 OG1 THR A 55 -1.393 -4.350 13.575 1.00 0.00 O ATOM 859 CG2 THR A 55 0.763 -3.922 14.350 1.00 0.00 C ATOM 0 H THR A 55 2.173 -3.671 11.513 1.00 0.00 H new ATOM 0 HA THR A 55 -0.385 -4.968 11.249 1.00 0.00 H new ATOM 0 HB THR A 55 0.190 -5.806 13.477 1.00 0.00 H new ATOM 0 HG1 THR A 55 -1.652 -4.579 14.492 1.00 0.00 H new ATOM 0 HG21 THR A 55 0.533 -4.252 15.363 1.00 0.00 H new ATOM 0 HG22 THR A 55 1.828 -4.056 14.157 1.00 0.00 H new ATOM 0 HG23 THR A 55 0.505 -2.868 14.244 1.00 0.00 H new ATOM 867 N VAL A 56 -1.488 -2.668 11.635 1.00 0.00 N ATOM 868 CA VAL A 56 -2.022 -1.345 11.360 1.00 0.00 C ATOM 869 C VAL A 56 -1.878 -0.472 12.608 1.00 0.00 C ATOM 870 O VAL A 56 -1.805 -0.985 13.724 1.00 0.00 O ATOM 871 CB VAL A 56 -3.468 -1.455 10.871 1.00 0.00 C ATOM 872 CG1 VAL A 56 -4.314 -0.292 11.393 1.00 0.00 C ATOM 873 CG2 VAL A 56 -3.525 -1.533 9.344 1.00 0.00 C ATOM 0 H VAL A 56 -2.190 -3.373 11.862 1.00 0.00 H new ATOM 0 HA VAL A 56 -1.458 -0.865 10.560 1.00 0.00 H new ATOM 0 HB VAL A 56 -3.887 -2.379 11.270 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -5.337 -0.395 11.031 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -4.312 -0.301 12.483 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -3.896 0.650 11.038 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -4.564 -1.611 9.022 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -3.079 -0.635 8.917 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -2.973 -2.409 9.004 1.00 0.00 H new ATOM 883 N GLU A 57 -1.843 0.832 12.379 1.00 0.00 N ATOM 884 CA GLU A 57 -1.709 1.781 13.471 1.00 0.00 C ATOM 885 C GLU A 57 -3.081 2.100 14.068 1.00 0.00 C ATOM 886 O GLU A 57 -4.108 1.705 13.518 1.00 0.00 O ATOM 887 CB GLU A 57 -1.004 3.057 13.006 1.00 0.00 C ATOM 888 CG GLU A 57 0.125 2.733 12.026 1.00 0.00 C ATOM 889 CD GLU A 57 0.888 3.999 11.630 1.00 0.00 C ATOM 890 OE1 GLU A 57 0.330 5.093 11.860 1.00 0.00 O ATOM 891 OE2 GLU A 57 2.012 3.843 11.106 1.00 0.00 O ATOM 0 H GLU A 57 -1.905 1.254 11.453 1.00 0.00 H new ATOM 0 HA GLU A 57 -1.093 1.327 14.247 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -1.724 3.722 12.530 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -0.601 3.589 13.868 1.00 0.00 H new ATOM 0 HG2 GLU A 57 0.811 2.018 12.480 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -0.287 2.259 11.135 1.00 0.00 H new ATOM 898 N GLU A 58 -3.054 2.812 15.185 1.00 0.00 N ATOM 899 CA GLU A 58 -4.284 3.189 15.862 1.00 0.00 C ATOM 900 C GLU A 58 -4.867 4.457 15.237 1.00 0.00 C ATOM 901 O GLU A 58 -5.553 5.226 15.909 1.00 0.00 O ATOM 902 CB GLU A 58 -4.048 3.375 17.362 1.00 0.00 C ATOM 903 CG GLU A 58 -5.264 2.915 18.170 1.00 0.00 C ATOM 904 CD GLU A 58 -5.817 4.057 19.026 1.00 0.00 C ATOM 905 OE1 GLU A 58 -6.386 4.993 18.424 1.00 0.00 O ATOM 906 OE2 GLU A 58 -5.658 3.967 20.262 1.00 0.00 O ATOM 0 H GLU A 58 -2.200 3.138 15.638 1.00 0.00 H new ATOM 0 HA GLU A 58 -5.006 2.382 15.738 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -3.168 2.809 17.668 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -3.842 4.424 17.574 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -6.039 2.554 17.494 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -4.985 2.078 18.810 1.00 0.00 H new ATOM 913 N GLY A 59 -4.573 4.637 13.958 1.00 0.00 N ATOM 914 CA GLY A 59 -5.060 5.800 13.235 1.00 0.00 C ATOM 915 C GLY A 59 -4.432 5.881 11.842 1.00 0.00 C ATOM 916 O GLY A 59 -3.879 6.914 11.466 1.00 0.00 O ATOM 0 H GLY A 59 -4.004 3.997 13.404 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -6.145 5.750 13.146 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -4.828 6.705 13.796 1.00 0.00 H new ATOM 920 N ASP A 60 -4.538 4.779 11.114 1.00 0.00 N ATOM 921 CA ASP A 60 -3.987 4.713 9.771 1.00 0.00 C ATOM 922 C ASP A 60 -5.123 4.499 8.769 1.00 0.00 C ATOM 923 O ASP A 60 -6.243 4.169 9.156 1.00 0.00 O ATOM 924 CB ASP A 60 -3.009 3.545 9.634 1.00 0.00 C ATOM 925 CG ASP A 60 -1.719 3.867 8.877 1.00 0.00 C ATOM 926 OD1 ASP A 60 -1.804 3.990 7.636 1.00 0.00 O ATOM 927 OD2 ASP A 60 -0.676 3.984 9.557 1.00 0.00 O ATOM 0 H ASP A 60 -4.997 3.924 11.429 1.00 0.00 H new ATOM 0 HA ASP A 60 -3.462 5.648 9.575 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -2.748 3.190 10.631 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -3.515 2.724 9.126 1.00 0.00 H new ATOM 932 N HIS A 61 -4.795 4.696 7.500 1.00 0.00 N ATOM 933 CA HIS A 61 -5.774 4.528 6.440 1.00 0.00 C ATOM 934 C HIS A 61 -5.959 3.039 6.143 1.00 0.00 C ATOM 935 O HIS A 61 -5.022 2.366 5.715 1.00 0.00 O ATOM 936 CB HIS A 61 -5.377 5.334 5.202 1.00 0.00 C ATOM 937 CG HIS A 61 -6.183 5.003 3.968 1.00 0.00 C ATOM 938 ND1 HIS A 61 -7.566 4.973 3.963 1.00 0.00 N ATOM 939 CD2 HIS A 61 -5.785 4.689 2.702 1.00 0.00 C ATOM 940 CE1 HIS A 61 -7.972 4.653 2.743 1.00 0.00 C ATOM 941 NE2 HIS A 61 -6.867 4.477 1.963 1.00 0.00 N ATOM 0 H HIS A 61 -3.865 4.970 7.183 1.00 0.00 H new ATOM 0 HA HIS A 61 -6.738 4.920 6.765 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -5.488 6.396 5.422 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -4.322 5.161 4.991 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -4.763 4.624 2.359 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -8.998 4.550 2.422 1.00 0.00 H new ATOM 0 HE2 HIS A 61 -6.871 4.224 0.975 1.00 0.00 H new ATOM 949 N VAL A 62 -7.174 2.567 6.382 1.00 0.00 N ATOM 950 CA VAL A 62 -7.494 1.170 6.145 1.00 0.00 C ATOM 951 C VAL A 62 -8.111 1.021 4.753 1.00 0.00 C ATOM 952 O VAL A 62 -9.301 1.272 4.568 1.00 0.00 O ATOM 953 CB VAL A 62 -8.400 0.644 7.260 1.00 0.00 C ATOM 954 CG1 VAL A 62 -9.635 -0.049 6.682 1.00 0.00 C ATOM 955 CG2 VAL A 62 -7.632 -0.293 8.195 1.00 0.00 C ATOM 0 H VAL A 62 -7.948 3.128 6.737 1.00 0.00 H new ATOM 0 HA VAL A 62 -6.589 0.562 6.166 1.00 0.00 H new ATOM 0 HB VAL A 62 -8.739 1.498 7.847 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -10.262 -0.413 7.496 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -10.201 0.660 6.078 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -9.324 -0.888 6.060 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -8.299 -0.653 8.978 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -7.250 -1.141 7.627 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -6.799 0.246 8.647 1.00 0.00 H new ATOM 965 N PHE A 63 -7.275 0.613 3.810 1.00 0.00 N ATOM 966 CA PHE A 63 -7.724 0.428 2.441 1.00 0.00 C ATOM 967 C PHE A 63 -7.594 -1.036 2.015 1.00 0.00 C ATOM 968 O PHE A 63 -6.485 -1.542 1.847 1.00 0.00 O ATOM 969 CB PHE A 63 -6.820 1.287 1.554 1.00 0.00 C ATOM 970 CG PHE A 63 -7.579 2.160 0.553 1.00 0.00 C ATOM 971 CD1 PHE A 63 -8.742 2.763 0.921 1.00 0.00 C ATOM 972 CD2 PHE A 63 -7.092 2.333 -0.705 1.00 0.00 C ATOM 973 CE1 PHE A 63 -9.446 3.573 -0.008 1.00 0.00 C ATOM 974 CE2 PHE A 63 -7.797 3.144 -1.634 1.00 0.00 C ATOM 975 CZ PHE A 63 -8.959 3.747 -1.266 1.00 0.00 C ATOM 0 H PHE A 63 -6.289 0.405 3.967 1.00 0.00 H new ATOM 0 HA PHE A 63 -8.772 0.713 2.351 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -6.208 1.928 2.189 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -6.138 0.635 1.008 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -9.129 2.625 1.920 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -6.169 1.854 -0.998 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -10.369 4.052 0.284 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -7.410 3.282 -2.633 1.00 0.00 H new ATOM 0 HZ PHE A 63 -9.495 4.364 -1.972 1.00 0.00 H new ATOM 985 N GLU A 64 -8.743 -1.676 1.852 1.00 0.00 N ATOM 986 CA GLU A 64 -8.772 -3.071 1.448 1.00 0.00 C ATOM 987 C GLU A 64 -8.505 -3.195 -0.053 1.00 0.00 C ATOM 988 O GLU A 64 -9.203 -2.587 -0.863 1.00 0.00 O ATOM 989 CB GLU A 64 -10.104 -3.723 1.824 1.00 0.00 C ATOM 990 CG GLU A 64 -10.368 -3.604 3.327 1.00 0.00 C ATOM 991 CD GLU A 64 -11.588 -4.432 3.736 1.00 0.00 C ATOM 992 OE1 GLU A 64 -11.693 -5.573 3.238 1.00 0.00 O ATOM 993 OE2 GLU A 64 -12.388 -3.904 4.539 1.00 0.00 O ATOM 0 H GLU A 64 -9.661 -1.254 1.993 1.00 0.00 H new ATOM 0 HA GLU A 64 -7.983 -3.600 1.982 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -10.914 -3.249 1.270 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -10.093 -4.774 1.535 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -9.492 -3.941 3.882 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -10.529 -2.559 3.590 1.00 0.00 H new ATOM 1000 N TYR A 65 -7.494 -3.988 -0.379 1.00 0.00 N ATOM 1001 CA TYR A 65 -7.127 -4.199 -1.769 1.00 0.00 C ATOM 1002 C TYR A 65 -7.485 -5.616 -2.221 1.00 0.00 C ATOM 1003 O TYR A 65 -8.215 -6.326 -1.531 1.00 0.00 O ATOM 1004 CB TYR A 65 -5.608 -4.024 -1.835 1.00 0.00 C ATOM 1005 CG TYR A 65 -5.161 -2.612 -2.220 1.00 0.00 C ATOM 1006 CD1 TYR A 65 -5.230 -2.201 -3.535 1.00 0.00 C ATOM 1007 CD2 TYR A 65 -4.688 -1.750 -1.251 1.00 0.00 C ATOM 1008 CE1 TYR A 65 -4.809 -0.873 -3.897 1.00 0.00 C ATOM 1009 CE2 TYR A 65 -4.267 -0.422 -1.613 1.00 0.00 C ATOM 1010 CZ TYR A 65 -4.348 -0.049 -2.918 1.00 0.00 C ATOM 1011 OH TYR A 65 -3.950 1.206 -3.260 1.00 0.00 O ATOM 0 H TYR A 65 -6.918 -4.492 0.296 1.00 0.00 H new ATOM 0 HA TYR A 65 -7.657 -3.501 -2.417 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -5.181 -4.278 -0.865 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -5.202 -4.732 -2.557 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -5.600 -2.876 -4.293 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -4.634 -2.072 -0.222 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -4.858 -0.538 -4.923 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -3.895 0.263 -0.865 1.00 0.00 H new ATOM 0 HH TYR A 65 -3.691 1.698 -2.453 1.00 0.00 H new ATOM 1021 N ASP A 66 -6.954 -5.986 -3.377 1.00 0.00 N ATOM 1022 CA ASP A 66 -7.209 -7.306 -3.929 1.00 0.00 C ATOM 1023 C ASP A 66 -6.554 -8.362 -3.037 1.00 0.00 C ATOM 1024 O ASP A 66 -5.568 -8.985 -3.428 1.00 0.00 O ATOM 1025 CB ASP A 66 -6.616 -7.439 -5.333 1.00 0.00 C ATOM 1026 CG ASP A 66 -7.104 -8.651 -6.129 1.00 0.00 C ATOM 1027 OD1 ASP A 66 -7.021 -9.767 -5.572 1.00 0.00 O ATOM 1028 OD2 ASP A 66 -7.549 -8.435 -7.277 1.00 0.00 O ATOM 0 H ASP A 66 -6.348 -5.395 -3.947 1.00 0.00 H new ATOM 0 HA ASP A 66 -8.289 -7.449 -3.978 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -6.849 -6.535 -5.896 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -5.530 -7.491 -5.249 1.00 0.00 H new ATOM 1033 N GLY A 67 -7.129 -8.531 -1.855 1.00 0.00 N ATOM 1034 CA GLY A 67 -6.613 -9.502 -0.904 1.00 0.00 C ATOM 1035 C GLY A 67 -5.375 -8.962 -0.187 1.00 0.00 C ATOM 1036 O GLY A 67 -4.499 -9.729 0.210 1.00 0.00 O ATOM 0 H GLY A 67 -7.947 -8.012 -1.534 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -7.384 -9.745 -0.173 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -6.362 -10.427 -1.423 1.00 0.00 H new ATOM 1040 N VAL A 68 -5.342 -7.645 -0.041 1.00 0.00 N ATOM 1041 CA VAL A 68 -4.226 -6.993 0.623 1.00 0.00 C ATOM 1042 C VAL A 68 -4.725 -5.734 1.333 1.00 0.00 C ATOM 1043 O VAL A 68 -5.795 -5.219 1.012 1.00 0.00 O ATOM 1044 CB VAL A 68 -3.111 -6.709 -0.386 1.00 0.00 C ATOM 1045 CG1 VAL A 68 -1.925 -6.015 0.287 1.00 0.00 C ATOM 1046 CG2 VAL A 68 -2.668 -7.993 -1.090 1.00 0.00 C ATOM 0 H VAL A 68 -6.070 -7.012 -0.371 1.00 0.00 H new ATOM 0 HA VAL A 68 -3.799 -7.647 1.384 1.00 0.00 H new ATOM 0 HB VAL A 68 -3.509 -6.033 -1.143 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -1.147 -5.825 -0.453 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -2.254 -5.070 0.719 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -1.528 -6.655 1.075 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -1.875 -7.763 -1.802 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -2.298 -8.704 -0.351 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -3.515 -8.429 -1.620 1.00 0.00 H new ATOM 1056 N LYS A 69 -3.926 -5.273 2.284 1.00 0.00 N ATOM 1057 CA LYS A 69 -4.273 -4.083 3.043 1.00 0.00 C ATOM 1058 C LYS A 69 -3.136 -3.065 2.934 1.00 0.00 C ATOM 1059 O LYS A 69 -1.993 -3.432 2.668 1.00 0.00 O ATOM 1060 CB LYS A 69 -4.633 -4.452 4.483 1.00 0.00 C ATOM 1061 CG LYS A 69 -5.746 -3.548 5.019 1.00 0.00 C ATOM 1062 CD LYS A 69 -5.681 -3.445 6.544 1.00 0.00 C ATOM 1063 CE LYS A 69 -6.585 -4.488 7.203 1.00 0.00 C ATOM 1064 NZ LYS A 69 -7.303 -3.898 8.355 1.00 0.00 N ATOM 0 H LYS A 69 -3.039 -5.702 2.547 1.00 0.00 H new ATOM 0 HA LYS A 69 -5.164 -3.612 2.628 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -4.953 -5.493 4.526 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -3.750 -4.363 5.117 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -5.656 -2.555 4.580 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -6.717 -3.943 4.718 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -4.653 -3.586 6.878 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -5.984 -2.446 6.858 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -7.302 -4.868 6.476 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -5.988 -5.337 7.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -7.846 -4.639 8.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -6.616 -3.481 9.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -7.952 -3.158 8.018 1.00 0.00 H new ATOM 1078 N VAL A 70 -3.490 -1.806 3.147 1.00 0.00 N ATOM 1079 CA VAL A 70 -2.514 -0.732 3.077 1.00 0.00 C ATOM 1080 C VAL A 70 -2.788 0.274 4.197 1.00 0.00 C ATOM 1081 O VAL A 70 -3.909 0.366 4.693 1.00 0.00 O ATOM 1082 CB VAL A 70 -2.534 -0.097 1.685 1.00 0.00 C ATOM 1083 CG1 VAL A 70 -2.027 1.346 1.734 1.00 0.00 C ATOM 1084 CG2 VAL A 70 -1.723 -0.930 0.691 1.00 0.00 C ATOM 0 H VAL A 70 -4.439 -1.506 3.368 1.00 0.00 H new ATOM 0 HA VAL A 70 -1.507 -1.120 3.228 1.00 0.00 H new ATOM 0 HB VAL A 70 -3.568 -0.077 1.340 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -2.051 1.774 0.732 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -2.664 1.933 2.395 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -1.004 1.360 2.110 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -1.754 -0.457 -0.290 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -0.689 -0.996 1.030 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -2.148 -1.932 0.624 1.00 0.00 H new ATOM 1094 N VAL A 71 -1.743 1.002 4.563 1.00 0.00 N ATOM 1095 CA VAL A 71 -1.856 1.998 5.615 1.00 0.00 C ATOM 1096 C VAL A 71 -0.928 3.173 5.301 1.00 0.00 C ATOM 1097 O VAL A 71 0.293 3.034 5.352 1.00 0.00 O ATOM 1098 CB VAL A 71 -1.571 1.357 6.975 1.00 0.00 C ATOM 1099 CG1 VAL A 71 -1.923 -0.132 6.963 1.00 0.00 C ATOM 1100 CG2 VAL A 71 -0.114 1.573 7.388 1.00 0.00 C ATOM 0 H VAL A 71 -0.814 0.922 4.150 1.00 0.00 H new ATOM 0 HA VAL A 71 -2.872 2.390 5.662 1.00 0.00 H new ATOM 0 HB VAL A 71 -2.205 1.845 7.715 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -1.711 -0.564 7.941 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -2.982 -0.254 6.734 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -1.327 -0.641 6.205 1.00 0.00 H new ATOM 0 HG21 VAL A 71 0.062 1.108 8.358 1.00 0.00 H new ATOM 0 HG22 VAL A 71 0.545 1.124 6.645 1.00 0.00 H new ATOM 0 HG23 VAL A 71 0.090 2.642 7.456 1.00 0.00 H new ATOM 1110 N ILE A 72 -1.543 4.303 4.984 1.00 0.00 N ATOM 1111 CA ILE A 72 -0.787 5.501 4.662 1.00 0.00 C ATOM 1112 C ILE A 72 -0.656 6.368 5.916 1.00 0.00 C ATOM 1113 O ILE A 72 -1.413 6.203 6.871 1.00 0.00 O ATOM 1114 CB ILE A 72 -1.417 6.229 3.474 1.00 0.00 C ATOM 1115 CG1 ILE A 72 -2.009 5.235 2.472 1.00 0.00 C ATOM 1116 CG2 ILE A 72 -0.412 7.177 2.815 1.00 0.00 C ATOM 1117 CD1 ILE A 72 -2.975 5.933 1.512 1.00 0.00 C ATOM 0 H ILE A 72 -2.556 4.414 4.943 1.00 0.00 H new ATOM 0 HA ILE A 72 0.223 5.241 4.347 1.00 0.00 H new ATOM 0 HB ILE A 72 -2.240 6.840 3.846 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -1.206 4.762 1.906 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -2.532 4.442 3.007 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -0.886 7.682 1.973 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -0.080 7.918 3.542 1.00 0.00 H new ATOM 0 HG23 ILE A 72 0.447 6.607 2.460 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -3.381 5.204 0.811 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -3.789 6.384 2.079 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -2.443 6.709 0.961 1.00 0.00 H new ATOM 1129 N ASP A 73 0.310 7.274 5.872 1.00 0.00 N ATOM 1130 CA ASP A 73 0.550 8.168 6.992 1.00 0.00 C ATOM 1131 C ASP A 73 -0.493 9.288 6.978 1.00 0.00 C ATOM 1132 O ASP A 73 -0.967 9.685 5.915 1.00 0.00 O ATOM 1133 CB ASP A 73 1.935 8.810 6.898 1.00 0.00 C ATOM 1134 CG ASP A 73 3.082 7.957 7.445 1.00 0.00 C ATOM 1135 OD1 ASP A 73 2.772 6.892 8.021 1.00 0.00 O ATOM 1136 OD2 ASP A 73 4.242 8.390 7.274 1.00 0.00 O ATOM 0 H ASP A 73 0.936 7.408 5.078 1.00 0.00 H new ATOM 0 HA ASP A 73 0.486 7.583 7.910 1.00 0.00 H new ATOM 0 HB2 ASP A 73 2.141 9.042 5.853 1.00 0.00 H new ATOM 0 HB3 ASP A 73 1.917 9.757 7.437 1.00 0.00 H new ATOM 1141 N PRO A 74 -0.827 9.778 8.202 1.00 0.00 N ATOM 1142 CA PRO A 74 -1.804 10.844 8.339 1.00 0.00 C ATOM 1143 C PRO A 74 -1.208 12.191 7.925 1.00 0.00 C ATOM 1144 O PRO A 74 -1.939 13.114 7.568 1.00 0.00 O ATOM 1145 CB PRO A 74 -2.226 10.805 9.799 1.00 0.00 C ATOM 1146 CG PRO A 74 -1.137 10.033 10.527 1.00 0.00 C ATOM 1147 CD PRO A 74 -0.285 9.331 9.482 1.00 0.00 C ATOM 0 HA PRO A 74 -2.666 10.711 7.685 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -2.328 11.812 10.203 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -3.194 10.317 9.913 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -0.526 10.708 11.127 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -1.576 9.307 11.212 1.00 0.00 H new ATOM 0 HD2 PRO A 74 0.767 9.600 9.583 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -0.348 8.247 9.582 1.00 0.00 H new ATOM 1155 N PHE A 75 0.113 12.261 7.986 1.00 0.00 N ATOM 1156 CA PHE A 75 0.816 13.479 7.621 1.00 0.00 C ATOM 1157 C PHE A 75 1.276 13.432 6.162 1.00 0.00 C ATOM 1158 O PHE A 75 1.465 14.471 5.533 1.00 0.00 O ATOM 1159 CB PHE A 75 2.044 13.576 8.528 1.00 0.00 C ATOM 1160 CG PHE A 75 1.905 14.599 9.657 1.00 0.00 C ATOM 1161 CD1 PHE A 75 1.644 15.902 9.367 1.00 0.00 C ATOM 1162 CD2 PHE A 75 2.042 14.205 10.952 1.00 0.00 C ATOM 1163 CE1 PHE A 75 1.515 16.851 10.415 1.00 0.00 C ATOM 1164 CE2 PHE A 75 1.913 15.154 12.000 1.00 0.00 C ATOM 1165 CZ PHE A 75 1.652 16.457 11.709 1.00 0.00 C ATOM 0 H PHE A 75 0.716 11.494 8.283 1.00 0.00 H new ATOM 0 HA PHE A 75 0.155 14.338 7.737 1.00 0.00 H new ATOM 0 HB2 PHE A 75 2.241 12.596 8.962 1.00 0.00 H new ATOM 0 HB3 PHE A 75 2.911 13.836 7.921 1.00 0.00 H new ATOM 0 HD1 PHE A 75 1.535 16.215 8.339 1.00 0.00 H new ATOM 0 HD2 PHE A 75 2.249 13.170 11.183 1.00 0.00 H new ATOM 0 HE1 PHE A 75 1.308 17.886 10.184 1.00 0.00 H new ATOM 0 HE2 PHE A 75 2.022 14.842 13.028 1.00 0.00 H new ATOM 0 HZ PHE A 75 1.554 17.179 12.506 1.00 0.00 H new ATOM 1175 N SER A 76 1.442 12.214 5.667 1.00 0.00 N ATOM 1176 CA SER A 76 1.876 12.017 4.295 1.00 0.00 C ATOM 1177 C SER A 76 0.660 11.900 3.373 1.00 0.00 C ATOM 1178 O SER A 76 0.744 12.214 2.187 1.00 0.00 O ATOM 1179 CB SER A 76 2.758 10.773 4.169 1.00 0.00 C ATOM 1180 OG SER A 76 3.591 10.592 5.311 1.00 0.00 O ATOM 0 H SER A 76 1.284 11.354 6.192 1.00 0.00 H new ATOM 0 HA SER A 76 2.469 12.882 3.997 1.00 0.00 H new ATOM 0 HB2 SER A 76 2.128 9.894 4.037 1.00 0.00 H new ATOM 0 HB3 SER A 76 3.379 10.857 3.277 1.00 0.00 H new ATOM 0 HG SER A 76 4.137 9.787 5.193 1.00 0.00 H new ATOM 1186 N MET A 77 -0.442 11.448 3.954 1.00 0.00 N ATOM 1187 CA MET A 77 -1.673 11.286 3.199 1.00 0.00 C ATOM 1188 C MET A 77 -2.110 12.611 2.572 1.00 0.00 C ATOM 1189 O MET A 77 -2.479 12.655 1.399 1.00 0.00 O ATOM 1190 CB MET A 77 -2.776 10.771 4.126 1.00 0.00 C ATOM 1191 CG MET A 77 -2.960 9.260 3.973 1.00 0.00 C ATOM 1192 SD MET A 77 -3.231 8.849 2.257 1.00 0.00 S ATOM 1193 CE MET A 77 -4.404 10.120 1.816 1.00 0.00 C ATOM 0 H MET A 77 -0.508 11.189 4.938 1.00 0.00 H new ATOM 0 HA MET A 77 -1.495 10.568 2.398 1.00 0.00 H new ATOM 0 HB2 MET A 77 -2.526 11.008 5.160 1.00 0.00 H new ATOM 0 HB3 MET A 77 -3.713 11.280 3.900 1.00 0.00 H new ATOM 0 HG2 MET A 77 -2.078 8.738 4.346 1.00 0.00 H new ATOM 0 HG3 MET A 77 -3.806 8.926 4.574 1.00 0.00 H new ATOM 0 HE1 MET A 77 -5.326 9.658 1.465 1.00 0.00 H new ATOM 0 HE2 MET A 77 -4.617 10.737 2.689 1.00 0.00 H new ATOM 0 HE3 MET A 77 -3.986 10.742 1.025 1.00 0.00 H new ATOM 1203 N PRO A 78 -2.052 13.687 3.402 1.00 0.00 N ATOM 1204 CA PRO A 78 -2.438 15.009 2.941 1.00 0.00 C ATOM 1205 C PRO A 78 -1.361 15.609 2.033 1.00 0.00 C ATOM 1206 O PRO A 78 -1.487 16.747 1.584 1.00 0.00 O ATOM 1207 CB PRO A 78 -2.663 15.818 4.208 1.00 0.00 C ATOM 1208 CG PRO A 78 -1.950 15.061 5.318 1.00 0.00 C ATOM 1209 CD PRO A 78 -1.620 13.672 4.797 1.00 0.00 C ATOM 0 HA PRO A 78 -3.339 14.994 2.328 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -2.263 16.827 4.104 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -3.727 15.918 4.424 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -1.040 15.584 5.614 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -2.582 14.996 6.203 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -0.554 13.461 4.879 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -2.142 12.902 5.365 1.00 0.00 H new ATOM 1217 N TYR A 79 -0.329 14.815 1.790 1.00 0.00 N ATOM 1218 CA TYR A 79 0.769 15.253 0.944 1.00 0.00 C ATOM 1219 C TYR A 79 0.615 14.710 -0.478 1.00 0.00 C ATOM 1220 O TYR A 79 1.198 15.248 -1.418 1.00 0.00 O ATOM 1221 CB TYR A 79 2.039 14.670 1.565 1.00 0.00 C ATOM 1222 CG TYR A 79 3.143 15.700 1.808 1.00 0.00 C ATOM 1223 CD1 TYR A 79 3.918 16.143 0.755 1.00 0.00 C ATOM 1224 CD2 TYR A 79 3.365 16.188 3.081 1.00 0.00 C ATOM 1225 CE1 TYR A 79 4.957 17.113 0.984 1.00 0.00 C ATOM 1226 CE2 TYR A 79 4.404 17.158 3.309 1.00 0.00 C ATOM 1227 CZ TYR A 79 5.149 17.573 2.250 1.00 0.00 C ATOM 1228 OH TYR A 79 6.130 18.489 2.466 1.00 0.00 O ATOM 0 H TYR A 79 -0.229 13.871 2.164 1.00 0.00 H new ATOM 0 HA TYR A 79 0.796 16.341 0.883 1.00 0.00 H new ATOM 0 HB2 TYR A 79 1.783 14.197 2.513 1.00 0.00 H new ATOM 0 HB3 TYR A 79 2.424 13.887 0.912 1.00 0.00 H new ATOM 0 HD1 TYR A 79 3.745 15.762 -0.241 1.00 0.00 H new ATOM 0 HD2 TYR A 79 2.759 15.842 3.905 1.00 0.00 H new ATOM 0 HE1 TYR A 79 5.570 17.468 0.169 1.00 0.00 H new ATOM 0 HE2 TYR A 79 4.588 17.548 4.299 1.00 0.00 H new ATOM 0 HH TYR A 79 6.151 18.727 3.416 1.00 0.00 H new ATOM 1238 N VAL A 80 -0.173 13.651 -0.591 1.00 0.00 N ATOM 1239 CA VAL A 80 -0.411 13.030 -1.882 1.00 0.00 C ATOM 1240 C VAL A 80 -1.872 12.584 -1.968 1.00 0.00 C ATOM 1241 O VAL A 80 -2.163 11.484 -2.433 1.00 0.00 O ATOM 1242 CB VAL A 80 0.577 11.882 -2.101 1.00 0.00 C ATOM 1243 CG1 VAL A 80 1.985 12.278 -1.651 1.00 0.00 C ATOM 1244 CG2 VAL A 80 0.110 10.612 -1.387 1.00 0.00 C ATOM 0 H VAL A 80 -0.655 13.207 0.191 1.00 0.00 H new ATOM 0 HA VAL A 80 -0.241 13.746 -2.686 1.00 0.00 H new ATOM 0 HB VAL A 80 0.613 11.671 -3.170 1.00 0.00 H new ATOM 0 HG11 VAL A 80 2.668 11.445 -1.817 1.00 0.00 H new ATOM 0 HG12 VAL A 80 2.321 13.142 -2.224 1.00 0.00 H new ATOM 0 HG13 VAL A 80 1.971 12.529 -0.590 1.00 0.00 H new ATOM 0 HG21 VAL A 80 0.830 9.812 -1.559 1.00 0.00 H new ATOM 0 HG22 VAL A 80 0.030 10.805 -0.317 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -0.864 10.313 -1.775 1.00 0.00 H new ATOM 1254 N ASN A 81 -2.753 13.463 -1.512 1.00 0.00 N ATOM 1255 CA ASN A 81 -4.177 13.174 -1.531 1.00 0.00 C ATOM 1256 C ASN A 81 -4.566 12.640 -2.911 1.00 0.00 C ATOM 1257 O ASN A 81 -4.118 13.162 -3.931 1.00 0.00 O ATOM 1258 CB ASN A 81 -4.998 14.437 -1.263 1.00 0.00 C ATOM 1259 CG ASN A 81 -4.998 15.360 -2.483 1.00 0.00 C ATOM 1260 OD1 ASN A 81 -5.945 15.417 -3.251 1.00 0.00 O ATOM 1261 ND2 ASN A 81 -3.887 16.078 -2.618 1.00 0.00 N ATOM 0 H ASN A 81 -2.508 14.375 -1.127 1.00 0.00 H new ATOM 0 HA ASN A 81 -4.383 12.438 -0.754 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -6.022 14.162 -1.010 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -4.588 14.966 -0.402 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -3.790 16.725 -3.401 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -3.132 15.982 -1.939 1.00 0.00 H new ATOM 1268 N GLY A 82 -5.396 11.608 -2.898 1.00 0.00 N ATOM 1269 CA GLY A 82 -5.851 10.998 -4.136 1.00 0.00 C ATOM 1270 C GLY A 82 -4.733 10.979 -5.181 1.00 0.00 C ATOM 1271 O GLY A 82 -4.996 11.075 -6.378 1.00 0.00 O ATOM 0 H GLY A 82 -5.766 11.178 -2.050 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -6.189 9.980 -3.941 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -6.707 11.550 -4.524 1.00 0.00 H new ATOM 1275 N ALA A 83 -3.509 10.855 -4.689 1.00 0.00 N ATOM 1276 CA ALA A 83 -2.350 10.822 -5.565 1.00 0.00 C ATOM 1277 C ALA A 83 -2.265 9.452 -6.240 1.00 0.00 C ATOM 1278 O ALA A 83 -3.116 8.592 -6.016 1.00 0.00 O ATOM 1279 CB ALA A 83 -1.092 11.155 -4.761 1.00 0.00 C ATOM 0 H ALA A 83 -3.295 10.776 -3.695 1.00 0.00 H new ATOM 0 HA ALA A 83 -2.442 11.572 -6.351 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -0.223 11.130 -5.418 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -1.190 12.150 -4.327 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -0.965 10.422 -3.964 1.00 0.00 H new ATOM 1285 N GLU A 84 -1.231 9.291 -7.053 1.00 0.00 N ATOM 1286 CA GLU A 84 -1.024 8.040 -7.762 1.00 0.00 C ATOM 1287 C GLU A 84 0.422 7.569 -7.596 1.00 0.00 C ATOM 1288 O GLU A 84 1.342 8.176 -8.143 1.00 0.00 O ATOM 1289 CB GLU A 84 -1.389 8.182 -9.241 1.00 0.00 C ATOM 1290 CG GLU A 84 -1.768 6.827 -9.844 1.00 0.00 C ATOM 1291 CD GLU A 84 -2.096 6.963 -11.333 1.00 0.00 C ATOM 1292 OE1 GLU A 84 -1.331 7.673 -12.020 1.00 0.00 O ATOM 1293 OE2 GLU A 84 -3.105 6.352 -11.749 1.00 0.00 O ATOM 0 H GLU A 84 -0.528 10.007 -7.236 1.00 0.00 H new ATOM 0 HA GLU A 84 -1.682 7.286 -7.330 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -2.221 8.878 -9.349 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -0.547 8.605 -9.788 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -0.946 6.123 -9.712 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -2.628 6.417 -9.314 1.00 0.00 H new ATOM 1300 N LEU A 85 0.577 6.493 -6.840 1.00 0.00 N ATOM 1301 CA LEU A 85 1.896 5.934 -6.596 1.00 0.00 C ATOM 1302 C LEU A 85 2.162 4.809 -7.598 1.00 0.00 C ATOM 1303 O LEU A 85 1.600 3.721 -7.480 1.00 0.00 O ATOM 1304 CB LEU A 85 2.032 5.500 -5.135 1.00 0.00 C ATOM 1305 CG LEU A 85 2.875 4.249 -4.882 1.00 0.00 C ATOM 1306 CD1 LEU A 85 4.324 4.466 -5.322 1.00 0.00 C ATOM 1307 CD2 LEU A 85 2.780 3.810 -3.419 1.00 0.00 C ATOM 0 H LEU A 85 -0.189 5.993 -6.388 1.00 0.00 H new ATOM 0 HA LEU A 85 2.665 6.690 -6.753 1.00 0.00 H new ATOM 0 HB2 LEU A 85 2.465 6.326 -4.570 1.00 0.00 H new ATOM 0 HB3 LEU A 85 1.033 5.328 -4.733 1.00 0.00 H new ATOM 0 HG LEU A 85 2.472 3.438 -5.488 1.00 0.00 H new ATOM 0 HD11 LEU A 85 4.902 3.562 -5.131 1.00 0.00 H new ATOM 0 HD12 LEU A 85 4.350 4.695 -6.387 1.00 0.00 H new ATOM 0 HD13 LEU A 85 4.754 5.296 -4.762 1.00 0.00 H new ATOM 0 HD21 LEU A 85 3.388 2.919 -3.266 1.00 0.00 H new ATOM 0 HD22 LEU A 85 3.142 4.611 -2.775 1.00 0.00 H new ATOM 0 HD23 LEU A 85 1.742 3.587 -3.173 1.00 0.00 H new ATOM 1319 N ASP A 86 3.020 5.109 -8.562 1.00 0.00 N ATOM 1320 CA ASP A 86 3.367 4.137 -9.585 1.00 0.00 C ATOM 1321 C ASP A 86 4.698 3.475 -9.221 1.00 0.00 C ATOM 1322 O ASP A 86 5.761 4.064 -9.412 1.00 0.00 O ATOM 1323 CB ASP A 86 3.530 4.808 -10.950 1.00 0.00 C ATOM 1324 CG ASP A 86 3.194 3.921 -12.150 1.00 0.00 C ATOM 1325 OD1 ASP A 86 3.408 2.695 -12.028 1.00 0.00 O ATOM 1326 OD2 ASP A 86 2.729 4.488 -13.163 1.00 0.00 O ATOM 0 H ASP A 86 3.485 6.012 -8.656 1.00 0.00 H new ATOM 0 HA ASP A 86 2.564 3.402 -9.639 1.00 0.00 H new ATOM 0 HB2 ASP A 86 2.894 5.693 -10.982 1.00 0.00 H new ATOM 0 HB3 ASP A 86 4.560 5.152 -11.048 1.00 0.00 H new ATOM 1331 N TYR A 87 4.596 2.259 -8.704 1.00 0.00 N ATOM 1332 CA TYR A 87 5.778 1.511 -8.313 1.00 0.00 C ATOM 1333 C TYR A 87 6.362 0.746 -9.502 1.00 0.00 C ATOM 1334 O TYR A 87 5.660 -0.027 -10.152 1.00 0.00 O ATOM 1335 CB TYR A 87 5.312 0.508 -7.256 1.00 0.00 C ATOM 1336 CG TYR A 87 6.434 -0.021 -6.361 1.00 0.00 C ATOM 1337 CD1 TYR A 87 6.786 0.666 -5.217 1.00 0.00 C ATOM 1338 CD2 TYR A 87 7.096 -1.184 -6.698 1.00 0.00 C ATOM 1339 CE1 TYR A 87 7.842 0.168 -4.374 1.00 0.00 C ATOM 1340 CE2 TYR A 87 8.152 -1.682 -5.856 1.00 0.00 C ATOM 1341 CZ TYR A 87 8.473 -0.981 -4.735 1.00 0.00 C ATOM 1342 OH TYR A 87 9.471 -1.451 -3.940 1.00 0.00 O ATOM 0 H TYR A 87 3.713 1.774 -8.547 1.00 0.00 H new ATOM 0 HA TYR A 87 6.551 2.183 -7.940 1.00 0.00 H new ATOM 0 HB2 TYR A 87 4.555 0.981 -6.630 1.00 0.00 H new ATOM 0 HB3 TYR A 87 4.832 -0.334 -7.755 1.00 0.00 H new ATOM 0 HD1 TYR A 87 6.269 1.577 -4.954 1.00 0.00 H new ATOM 0 HD2 TYR A 87 6.822 -1.721 -7.594 1.00 0.00 H new ATOM 0 HE1 TYR A 87 8.126 0.695 -3.475 1.00 0.00 H new ATOM 0 HE2 TYR A 87 8.677 -2.591 -6.108 1.00 0.00 H new ATOM 0 HH TYR A 87 9.667 -2.382 -4.177 1.00 0.00 H new ATOM 1352 N VAL A 88 7.641 0.988 -9.751 1.00 0.00 N ATOM 1353 CA VAL A 88 8.327 0.332 -10.851 1.00 0.00 C ATOM 1354 C VAL A 88 8.899 -1.001 -10.366 1.00 0.00 C ATOM 1355 O VAL A 88 9.383 -1.101 -9.240 1.00 0.00 O ATOM 1356 CB VAL A 88 9.392 1.263 -11.434 1.00 0.00 C ATOM 1357 CG1 VAL A 88 10.301 0.513 -12.409 1.00 0.00 C ATOM 1358 CG2 VAL A 88 8.749 2.478 -12.106 1.00 0.00 C ATOM 0 H VAL A 88 8.220 1.630 -9.209 1.00 0.00 H new ATOM 0 HA VAL A 88 7.630 0.112 -11.659 1.00 0.00 H new ATOM 0 HB VAL A 88 10.009 1.624 -10.611 1.00 0.00 H new ATOM 0 HG11 VAL A 88 11.049 1.198 -12.809 1.00 0.00 H new ATOM 0 HG12 VAL A 88 10.799 -0.304 -11.887 1.00 0.00 H new ATOM 0 HG13 VAL A 88 9.704 0.110 -13.227 1.00 0.00 H new ATOM 0 HG21 VAL A 88 9.528 3.124 -12.512 1.00 0.00 H new ATOM 0 HG22 VAL A 88 8.097 2.145 -12.913 1.00 0.00 H new ATOM 0 HG23 VAL A 88 8.164 3.032 -11.372 1.00 0.00 H new ATOM 1368 N VAL A 89 8.824 -1.994 -11.241 1.00 0.00 N ATOM 1369 CA VAL A 89 9.329 -3.317 -10.916 1.00 0.00 C ATOM 1370 C VAL A 89 10.269 -3.787 -12.028 1.00 0.00 C ATOM 1371 O VAL A 89 9.832 -4.038 -13.150 1.00 0.00 O ATOM 1372 CB VAL A 89 8.162 -4.277 -10.674 1.00 0.00 C ATOM 1373 CG1 VAL A 89 8.656 -5.605 -10.097 1.00 0.00 C ATOM 1374 CG2 VAL A 89 7.109 -3.642 -9.764 1.00 0.00 C ATOM 0 H VAL A 89 8.421 -1.908 -12.174 1.00 0.00 H new ATOM 0 HA VAL A 89 9.907 -3.289 -9.992 1.00 0.00 H new ATOM 0 HB VAL A 89 7.693 -4.483 -11.636 1.00 0.00 H new ATOM 0 HG11 VAL A 89 7.807 -6.269 -9.934 1.00 0.00 H new ATOM 0 HG12 VAL A 89 9.351 -6.069 -10.796 1.00 0.00 H new ATOM 0 HG13 VAL A 89 9.162 -5.424 -9.149 1.00 0.00 H new ATOM 0 HG21 VAL A 89 6.291 -4.345 -9.608 1.00 0.00 H new ATOM 0 HG22 VAL A 89 7.561 -3.392 -8.804 1.00 0.00 H new ATOM 0 HG23 VAL A 89 6.724 -2.735 -10.231 1.00 0.00 H new ATOM 1384 N ASP A 90 11.542 -3.892 -11.678 1.00 0.00 N ATOM 1385 CA ASP A 90 12.548 -4.327 -12.633 1.00 0.00 C ATOM 1386 C ASP A 90 13.829 -4.698 -11.884 1.00 0.00 C ATOM 1387 O ASP A 90 13.775 -5.153 -10.743 1.00 0.00 O ATOM 1388 CB ASP A 90 12.886 -3.211 -13.624 1.00 0.00 C ATOM 1389 CG ASP A 90 13.215 -3.683 -15.041 1.00 0.00 C ATOM 1390 OD1 ASP A 90 13.233 -4.917 -15.239 1.00 0.00 O ATOM 1391 OD2 ASP A 90 13.442 -2.799 -15.896 1.00 0.00 O ATOM 0 H ASP A 90 11.901 -3.683 -10.746 1.00 0.00 H new ATOM 0 HA ASP A 90 12.149 -5.183 -13.177 1.00 0.00 H new ATOM 0 HB2 ASP A 90 12.043 -2.522 -13.673 1.00 0.00 H new ATOM 0 HB3 ASP A 90 13.736 -2.648 -13.238 1.00 0.00 H new ATOM 1396 N PHE A 91 14.951 -4.490 -12.557 1.00 0.00 N ATOM 1397 CA PHE A 91 16.244 -4.798 -11.970 1.00 0.00 C ATOM 1398 C PHE A 91 16.423 -4.079 -10.631 1.00 0.00 C ATOM 1399 O PHE A 91 17.311 -4.421 -9.852 1.00 0.00 O ATOM 1400 CB PHE A 91 17.310 -4.301 -12.949 1.00 0.00 C ATOM 1401 CG PHE A 91 18.134 -5.418 -13.591 1.00 0.00 C ATOM 1402 CD1 PHE A 91 19.100 -6.050 -12.872 1.00 0.00 C ATOM 1403 CD2 PHE A 91 17.901 -5.780 -14.881 1.00 0.00 C ATOM 1404 CE1 PHE A 91 19.866 -7.087 -13.468 1.00 0.00 C ATOM 1405 CE2 PHE A 91 18.666 -6.817 -15.477 1.00 0.00 C ATOM 1406 CZ PHE A 91 19.633 -7.448 -14.758 1.00 0.00 C ATOM 0 H PHE A 91 14.992 -4.112 -13.503 1.00 0.00 H new ATOM 0 HA PHE A 91 16.325 -5.870 -11.790 1.00 0.00 H new ATOM 0 HB2 PHE A 91 16.825 -3.723 -13.736 1.00 0.00 H new ATOM 0 HB3 PHE A 91 17.983 -3.623 -12.424 1.00 0.00 H new ATOM 0 HD1 PHE A 91 19.285 -5.763 -11.847 1.00 0.00 H new ATOM 0 HD2 PHE A 91 17.134 -5.279 -15.452 1.00 0.00 H new ATOM 0 HE1 PHE A 91 20.633 -7.589 -12.897 1.00 0.00 H new ATOM 0 HE2 PHE A 91 18.480 -7.105 -16.501 1.00 0.00 H new ATOM 0 HZ PHE A 91 20.216 -8.236 -15.212 1.00 0.00 H new ATOM 1416 N MET A 92 15.565 -3.094 -10.405 1.00 0.00 N ATOM 1417 CA MET A 92 15.617 -2.324 -9.174 1.00 0.00 C ATOM 1418 C MET A 92 14.867 -3.038 -8.048 1.00 0.00 C ATOM 1419 O MET A 92 14.651 -2.466 -6.981 1.00 0.00 O ATOM 1420 CB MET A 92 14.996 -0.945 -9.408 1.00 0.00 C ATOM 1421 CG MET A 92 16.079 0.125 -9.562 1.00 0.00 C ATOM 1422 SD MET A 92 15.458 1.487 -10.534 1.00 0.00 S ATOM 1423 CE MET A 92 15.482 0.746 -12.158 1.00 0.00 C ATOM 0 H MET A 92 14.830 -2.812 -11.054 1.00 0.00 H new ATOM 0 HA MET A 92 16.661 -2.217 -8.878 1.00 0.00 H new ATOM 0 HB2 MET A 92 14.374 -0.969 -10.303 1.00 0.00 H new ATOM 0 HB3 MET A 92 14.343 -0.690 -8.573 1.00 0.00 H new ATOM 0 HG2 MET A 92 16.392 0.481 -8.581 1.00 0.00 H new ATOM 0 HG3 MET A 92 16.959 -0.303 -10.042 1.00 0.00 H new ATOM 0 HE1 MET A 92 15.907 1.450 -12.873 1.00 0.00 H new ATOM 0 HE2 MET A 92 16.088 -0.160 -12.136 1.00 0.00 H new ATOM 0 HE3 MET A 92 14.465 0.494 -12.458 1.00 0.00 H new ATOM 1433 N GLY A 93 14.488 -4.277 -8.325 1.00 0.00 N ATOM 1434 CA GLY A 93 13.766 -5.075 -7.349 1.00 0.00 C ATOM 1435 C GLY A 93 12.614 -4.278 -6.734 1.00 0.00 C ATOM 1436 O GLY A 93 12.160 -4.586 -5.633 1.00 0.00 O ATOM 0 H GLY A 93 14.668 -4.748 -9.212 1.00 0.00 H new ATOM 0 HA2 GLY A 93 13.377 -5.975 -7.826 1.00 0.00 H new ATOM 0 HA3 GLY A 93 14.448 -5.400 -6.563 1.00 0.00 H new ATOM 1440 N GLY A 94 12.175 -3.269 -7.471 1.00 0.00 N ATOM 1441 CA GLY A 94 11.084 -2.426 -7.012 1.00 0.00 C ATOM 1442 C GLY A 94 11.565 -0.994 -6.766 1.00 0.00 C ATOM 1443 O GLY A 94 12.438 -0.763 -5.930 1.00 0.00 O ATOM 0 H GLY A 94 12.555 -3.016 -8.383 1.00 0.00 H new ATOM 0 HA2 GLY A 94 10.285 -2.423 -7.753 1.00 0.00 H new ATOM 0 HA3 GLY A 94 10.665 -2.836 -6.093 1.00 0.00 H new ATOM 1447 N GLY A 95 10.974 -0.070 -7.509 1.00 0.00 N ATOM 1448 CA GLY A 95 11.331 1.333 -7.382 1.00 0.00 C ATOM 1449 C GLY A 95 10.162 2.148 -6.824 1.00 0.00 C ATOM 1450 O GLY A 95 9.097 1.600 -6.543 1.00 0.00 O ATOM 0 H GLY A 95 10.250 -0.265 -8.201 1.00 0.00 H new ATOM 0 HA2 GLY A 95 12.195 1.434 -6.726 1.00 0.00 H new ATOM 0 HA3 GLY A 95 11.622 1.727 -8.356 1.00 0.00 H new ATOM 1454 N PHE A 96 10.400 3.443 -6.681 1.00 0.00 N ATOM 1455 CA PHE A 96 9.381 4.339 -6.162 1.00 0.00 C ATOM 1456 C PHE A 96 9.181 5.539 -7.089 1.00 0.00 C ATOM 1457 O PHE A 96 10.098 6.335 -7.286 1.00 0.00 O ATOM 1458 CB PHE A 96 9.873 4.837 -4.801 1.00 0.00 C ATOM 1459 CG PHE A 96 10.539 3.757 -3.947 1.00 0.00 C ATOM 1460 CD1 PHE A 96 9.902 2.576 -3.726 1.00 0.00 C ATOM 1461 CD2 PHE A 96 11.768 3.977 -3.408 1.00 0.00 C ATOM 1462 CE1 PHE A 96 10.520 1.573 -2.933 1.00 0.00 C ATOM 1463 CE2 PHE A 96 12.387 2.975 -2.615 1.00 0.00 C ATOM 1464 CZ PHE A 96 11.749 1.794 -2.394 1.00 0.00 C ATOM 0 H PHE A 96 11.284 3.894 -6.916 1.00 0.00 H new ATOM 0 HA PHE A 96 8.430 3.813 -6.083 1.00 0.00 H new ATOM 0 HB2 PHE A 96 10.582 5.650 -4.958 1.00 0.00 H new ATOM 0 HB3 PHE A 96 9.029 5.252 -4.250 1.00 0.00 H new ATOM 0 HD1 PHE A 96 8.926 2.401 -4.154 1.00 0.00 H new ATOM 0 HD2 PHE A 96 12.274 4.915 -3.583 1.00 0.00 H new ATOM 0 HE1 PHE A 96 10.014 0.635 -2.758 1.00 0.00 H new ATOM 0 HE2 PHE A 96 13.363 3.150 -2.188 1.00 0.00 H new ATOM 0 HZ PHE A 96 12.219 1.032 -1.790 1.00 0.00 H new ATOM 1474 N THR A 97 7.978 5.631 -7.635 1.00 0.00 N ATOM 1475 CA THR A 97 7.646 6.720 -8.538 1.00 0.00 C ATOM 1476 C THR A 97 6.245 7.255 -8.236 1.00 0.00 C ATOM 1477 O THR A 97 5.282 6.491 -8.187 1.00 0.00 O ATOM 1478 CB THR A 97 7.806 6.212 -9.972 1.00 0.00 C ATOM 1479 OG1 THR A 97 9.160 6.515 -10.299 1.00 0.00 O ATOM 1480 CG2 THR A 97 6.989 7.026 -10.977 1.00 0.00 C ATOM 0 H THR A 97 7.220 4.969 -7.469 1.00 0.00 H new ATOM 0 HA THR A 97 8.320 7.566 -8.401 1.00 0.00 H new ATOM 0 HB THR A 97 7.504 5.166 -10.022 1.00 0.00 H new ATOM 0 HG1 THR A 97 9.697 6.539 -9.480 1.00 0.00 H new ATOM 0 HG21 THR A 97 7.139 6.623 -11.979 1.00 0.00 H new ATOM 0 HG22 THR A 97 5.932 6.969 -10.717 1.00 0.00 H new ATOM 0 HG23 THR A 97 7.313 8.066 -10.952 1.00 0.00 H new ATOM 1488 N ILE A 98 6.175 8.564 -8.041 1.00 0.00 N ATOM 1489 CA ILE A 98 4.908 9.210 -7.745 1.00 0.00 C ATOM 1490 C ILE A 98 4.558 10.179 -8.876 1.00 0.00 C ATOM 1491 O ILE A 98 5.342 11.070 -9.200 1.00 0.00 O ATOM 1492 CB ILE A 98 4.951 9.867 -6.364 1.00 0.00 C ATOM 1493 CG1 ILE A 98 5.301 8.844 -5.281 1.00 0.00 C ATOM 1494 CG2 ILE A 98 3.640 10.596 -6.062 1.00 0.00 C ATOM 1495 CD1 ILE A 98 4.311 7.677 -5.289 1.00 0.00 C ATOM 0 H ILE A 98 6.976 9.195 -8.082 1.00 0.00 H new ATOM 0 HA ILE A 98 4.107 8.473 -7.697 1.00 0.00 H new ATOM 0 HB ILE A 98 5.742 10.617 -6.367 1.00 0.00 H new ATOM 0 HG12 ILE A 98 6.312 8.469 -5.443 1.00 0.00 H new ATOM 0 HG13 ILE A 98 5.292 9.326 -4.304 1.00 0.00 H new ATOM 0 HG21 ILE A 98 3.697 11.054 -5.075 1.00 0.00 H new ATOM 0 HG22 ILE A 98 3.473 11.370 -6.812 1.00 0.00 H new ATOM 0 HG23 ILE A 98 2.815 9.885 -6.085 1.00 0.00 H new ATOM 0 HD11 ILE A 98 4.582 6.964 -4.510 1.00 0.00 H new ATOM 0 HD12 ILE A 98 3.305 8.052 -5.103 1.00 0.00 H new ATOM 0 HD13 ILE A 98 4.340 7.182 -6.260 1.00 0.00 H new ATOM 1507 N ARG A 99 3.381 9.972 -9.447 1.00 0.00 N ATOM 1508 CA ARG A 99 2.917 10.816 -10.535 1.00 0.00 C ATOM 1509 C ARG A 99 1.539 11.394 -10.209 1.00 0.00 C ATOM 1510 O ARG A 99 0.524 10.716 -10.370 1.00 0.00 O ATOM 1511 CB ARG A 99 2.837 10.031 -11.846 1.00 0.00 C ATOM 1512 CG ARG A 99 3.664 10.707 -12.942 1.00 0.00 C ATOM 1513 CD ARG A 99 5.038 10.048 -13.078 1.00 0.00 C ATOM 1514 NE ARG A 99 5.976 10.969 -13.757 1.00 0.00 N ATOM 1515 CZ ARG A 99 7.248 10.666 -14.047 1.00 0.00 C ATOM 1516 NH1 ARG A 99 7.743 9.465 -13.718 1.00 0.00 N ATOM 1517 NH2 ARG A 99 8.027 11.564 -14.666 1.00 0.00 N ATOM 0 H ARG A 99 2.734 9.231 -9.177 1.00 0.00 H new ATOM 0 HA ARG A 99 3.635 11.627 -10.654 1.00 0.00 H new ATOM 0 HB2 ARG A 99 3.198 9.015 -11.688 1.00 0.00 H new ATOM 0 HB3 ARG A 99 1.798 9.954 -12.165 1.00 0.00 H new ATOM 0 HG2 ARG A 99 3.133 10.648 -13.892 1.00 0.00 H new ATOM 0 HG3 ARG A 99 3.786 11.765 -12.710 1.00 0.00 H new ATOM 0 HD2 ARG A 99 5.423 9.785 -12.093 1.00 0.00 H new ATOM 0 HD3 ARG A 99 4.951 9.121 -13.645 1.00 0.00 H new ATOM 0 HE ARG A 99 5.632 11.892 -14.021 1.00 0.00 H new ATOM 0 HH11 ARG A 99 7.151 8.781 -13.247 1.00 0.00 H new ATOM 0 HH12 ARG A 99 8.712 9.235 -13.939 1.00 0.00 H new ATOM 0 HH21 ARG A 99 7.651 12.479 -14.916 1.00 0.00 H new ATOM 0 HH22 ARG A 99 8.996 11.333 -14.887 1.00 0.00 H new ATOM 1531 N ASN A 100 1.545 12.639 -9.758 1.00 0.00 N ATOM 1532 CA ASN A 100 0.308 13.315 -9.408 1.00 0.00 C ATOM 1533 C ASN A 100 -0.491 13.600 -10.682 1.00 0.00 C ATOM 1534 O ASN A 100 0.081 13.706 -11.766 1.00 0.00 O ATOM 1535 CB ASN A 100 0.586 14.651 -8.716 1.00 0.00 C ATOM 1536 CG ASN A 100 0.699 14.471 -7.201 1.00 0.00 C ATOM 1537 OD1 ASN A 100 0.982 13.397 -6.697 1.00 0.00 O ATOM 1538 ND2 ASN A 100 0.461 15.580 -6.506 1.00 0.00 N ATOM 0 H ASN A 100 2.388 13.198 -9.627 1.00 0.00 H new ATOM 0 HA ASN A 100 -0.249 12.668 -8.731 1.00 0.00 H new ATOM 0 HB2 ASN A 100 1.509 15.081 -9.105 1.00 0.00 H new ATOM 0 HB3 ASN A 100 -0.214 15.356 -8.943 1.00 0.00 H new ATOM 0 HD21 ASN A 100 0.510 15.564 -5.487 1.00 0.00 H new ATOM 0 HD22 ASN A 100 0.229 16.446 -6.992 1.00 0.00 H new ATOM 1545 N PRO A 101 -1.834 13.719 -10.504 1.00 0.00 N ATOM 1546 CA PRO A 101 -2.716 13.989 -11.626 1.00 0.00 C ATOM 1547 C PRO A 101 -2.610 15.450 -12.068 1.00 0.00 C ATOM 1548 O PRO A 101 -1.876 16.232 -11.466 1.00 0.00 O ATOM 1549 CB PRO A 101 -4.105 13.616 -11.133 1.00 0.00 C ATOM 1550 CG PRO A 101 -4.016 13.594 -9.616 1.00 0.00 C ATOM 1551 CD PRO A 101 -2.545 13.599 -9.235 1.00 0.00 C ATOM 0 HA PRO A 101 -2.455 13.413 -12.514 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -4.847 14.340 -11.470 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -4.409 12.644 -11.521 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -4.523 14.460 -9.191 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -4.510 12.708 -9.217 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -2.311 14.430 -8.570 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -2.268 12.684 -8.711 1.00 0.00 H new TER 1559 PRO A 101