USER MOD reduce.3.24.130724 H: found=0, std=0, add=470, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 470 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 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 47 LYS NZ :NH3+ 165:sc= -0.0197 (180deg=-0.323) USER MOD Single : A 6 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 7 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 LYS NZ :NH3+ -163:sc= -0.0387 (180deg=-0.45) USER MOD Single : A 13 LYS NZ :NH3+ 148:sc= -0.0247 (180deg=-0.523) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 16 MET CE :methyl -176:sc= 0 (180deg=-0.00139) USER MOD Single : A 20 LYS NZ :NH3+ 164:sc=-0.000667 (180deg=-0.28) USER MOD Single : A 22 ASN : amide:sc= -2.67! K(o=-2.7!,f=0.19) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 HIS : no HE2:sc= -0.353 K(o=-0.35,f=-1.4) USER MOD Single : A 36 LYS NZ :NH3+ 166:sc=-0.00391 (180deg=-0.25) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ -166:sc=-0.00541 (180deg=-0.316) USER MOD Single : A 54 ASN : amide:sc= -0.0794 K(o=-0.079,f=-1.3!) USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 5 -13.277 -9.435 -11.990 1.00 0.00 N ATOM 2 CA ILE A 5 -12.218 -8.998 -12.968 1.00 0.00 C ATOM 3 C ILE A 5 -11.065 -8.320 -12.166 1.00 0.00 C ATOM 4 O ILE A 5 -10.425 -7.391 -12.649 1.00 0.00 O ATOM 5 CB ILE A 5 -12.857 -7.964 -14.061 1.00 0.00 C ATOM 6 CG1 ILE A 5 -14.116 -8.679 -14.809 1.00 0.00 C ATOM 7 CG2 ILE A 5 -11.742 -7.476 -15.156 1.00 0.00 C ATOM 8 CD1 ILE A 5 -15.032 -7.626 -15.522 1.00 0.00 C ATOM 0 HA ILE A 5 -11.826 -9.856 -13.514 1.00 0.00 H new ATOM 0 HB ILE A 5 -13.201 -7.075 -13.533 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -13.746 -9.397 -15.541 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -14.702 -9.240 -14.081 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -12.205 -6.790 -15.865 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -10.925 -6.970 -14.642 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -11.353 -8.343 -15.690 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -15.862 -8.137 -16.011 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -15.422 -6.924 -14.785 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -14.451 -7.083 -16.267 1.00 0.00 H new ATOM 20 N MET A 6 -10.791 -8.835 -10.910 1.00 0.00 N ATOM 21 CA MET A 6 -9.704 -8.272 -10.039 1.00 0.00 C ATOM 22 C MET A 6 -9.755 -6.715 -10.050 1.00 0.00 C ATOM 23 O MET A 6 -8.730 -6.040 -9.913 1.00 0.00 O ATOM 24 CB MET A 6 -8.309 -8.787 -10.592 1.00 0.00 C ATOM 25 CG MET A 6 -8.196 -10.346 -10.437 1.00 0.00 C ATOM 26 SD MET A 6 -6.574 -10.924 -11.043 1.00 0.00 S ATOM 27 CE MET A 6 -6.868 -12.713 -10.900 1.00 0.00 C ATOM 0 H MET A 6 -11.297 -9.617 -10.495 1.00 0.00 H new ATOM 0 HA MET A 6 -9.839 -8.602 -9.009 1.00 0.00 H new ATOM 0 HB2 MET A 6 -8.203 -8.512 -11.641 1.00 0.00 H new ATOM 0 HB3 MET A 6 -7.496 -8.302 -10.052 1.00 0.00 H new ATOM 0 HG2 MET A 6 -8.322 -10.625 -9.391 1.00 0.00 H new ATOM 0 HG3 MET A 6 -8.996 -10.833 -10.995 1.00 0.00 H new ATOM 0 HE1 MET A 6 -5.981 -13.255 -11.228 1.00 0.00 H new ATOM 0 HE2 MET A 6 -7.084 -12.964 -9.862 1.00 0.00 H new ATOM 0 HE3 MET A 6 -7.716 -12.994 -11.525 1.00 0.00 H new ATOM 37 N GLN A 7 -10.982 -6.164 -10.275 1.00 0.00 N ATOM 38 CA GLN A 7 -11.182 -4.694 -10.375 1.00 0.00 C ATOM 39 C GLN A 7 -10.784 -3.999 -9.057 1.00 0.00 C ATOM 40 O GLN A 7 -10.184 -2.919 -9.075 1.00 0.00 O ATOM 41 CB GLN A 7 -12.698 -4.381 -10.735 1.00 0.00 C ATOM 42 CG GLN A 7 -12.927 -2.820 -10.954 1.00 0.00 C ATOM 43 CD GLN A 7 -14.384 -2.512 -11.333 1.00 0.00 C ATOM 44 OE1 GLN A 7 -15.300 -2.760 -10.544 1.00 0.00 O ATOM 45 NE2 GLN A 7 -14.647 -1.987 -12.496 1.00 0.00 N ATOM 0 H GLN A 7 -11.836 -6.711 -10.389 1.00 0.00 H new ATOM 0 HA GLN A 7 -10.542 -4.305 -11.167 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -12.980 -4.923 -11.638 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -13.346 -4.738 -9.934 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -12.665 -2.282 -10.043 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -12.262 -2.460 -11.739 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -13.888 -1.783 -13.147 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -15.611 -1.780 -12.756 1.00 0.00 H new ATOM 54 N ALA A 8 -11.128 -4.651 -7.926 1.00 0.00 N ATOM 55 CA ALA A 8 -10.818 -4.123 -6.577 1.00 0.00 C ATOM 56 C ALA A 8 -9.280 -3.945 -6.395 1.00 0.00 C ATOM 57 O ALA A 8 -8.822 -2.932 -5.853 1.00 0.00 O ATOM 58 CB ALA A 8 -11.383 -5.114 -5.487 1.00 0.00 C ATOM 0 H ALA A 8 -11.621 -5.544 -7.919 1.00 0.00 H new ATOM 0 HA ALA A 8 -11.288 -3.147 -6.461 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -11.157 -4.729 -4.493 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -12.463 -5.206 -5.604 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -10.920 -6.093 -5.611 1.00 0.00 H new ATOM 64 N LYS A 9 -8.498 -4.960 -6.852 1.00 0.00 N ATOM 65 CA LYS A 9 -7.014 -4.949 -6.751 1.00 0.00 C ATOM 66 C LYS A 9 -6.407 -3.822 -7.618 1.00 0.00 C ATOM 67 O LYS A 9 -5.495 -3.112 -7.194 1.00 0.00 O ATOM 68 CB LYS A 9 -6.455 -6.355 -7.223 1.00 0.00 C ATOM 69 CG LYS A 9 -6.902 -7.508 -6.232 1.00 0.00 C ATOM 70 CD LYS A 9 -6.361 -8.938 -6.702 1.00 0.00 C ATOM 71 CE LYS A 9 -6.835 -10.065 -5.705 1.00 0.00 C ATOM 72 NZ LYS A 9 -6.316 -9.737 -4.350 1.00 0.00 N ATOM 0 H LYS A 9 -8.873 -5.799 -7.295 1.00 0.00 H new ATOM 0 HA LYS A 9 -6.732 -4.764 -5.715 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -6.816 -6.575 -8.228 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -5.367 -6.318 -7.276 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -6.531 -7.290 -5.230 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -7.990 -7.533 -6.171 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -6.723 -9.158 -7.706 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -5.272 -8.923 -6.751 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -7.923 -10.126 -5.690 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -6.465 -11.038 -6.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -6.361 -10.583 -3.747 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -5.329 -9.417 -4.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -6.894 -8.982 -3.930 1.00 0.00 H new ATOM 86 N GLU A 10 -6.934 -3.675 -8.845 1.00 0.00 N ATOM 87 CA GLU A 10 -6.456 -2.637 -9.790 1.00 0.00 C ATOM 88 C GLU A 10 -6.755 -1.236 -9.213 1.00 0.00 C ATOM 89 O GLU A 10 -5.912 -0.336 -9.254 1.00 0.00 O ATOM 90 CB GLU A 10 -7.181 -2.826 -11.191 1.00 0.00 C ATOM 91 CG GLU A 10 -6.704 -4.162 -11.924 1.00 0.00 C ATOM 92 CD GLU A 10 -7.468 -4.413 -13.262 1.00 0.00 C ATOM 93 OE1 GLU A 10 -8.292 -3.584 -13.640 1.00 0.00 O ATOM 94 OE2 GLU A 10 -7.210 -5.432 -13.877 1.00 0.00 O ATOM 0 H GLU A 10 -7.688 -4.256 -9.210 1.00 0.00 H new ATOM 0 HA GLU A 10 -5.380 -2.735 -9.933 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -8.260 -2.858 -11.041 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -6.973 -1.966 -11.828 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -5.635 -4.100 -12.126 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -6.854 -5.012 -11.258 1.00 0.00 H new ATOM 101 N ASP A 11 -7.985 -1.093 -8.646 1.00 0.00 N ATOM 102 CA ASP A 11 -8.443 0.180 -8.031 1.00 0.00 C ATOM 103 C ASP A 11 -7.539 0.521 -6.825 1.00 0.00 C ATOM 104 O ASP A 11 -7.171 1.681 -6.607 1.00 0.00 O ATOM 105 CB ASP A 11 -9.945 0.056 -7.559 1.00 0.00 C ATOM 106 CG ASP A 11 -10.934 -0.055 -8.753 1.00 0.00 C ATOM 107 OD1 ASP A 11 -10.512 0.094 -9.890 1.00 0.00 O ATOM 108 OD2 ASP A 11 -12.110 -0.271 -8.493 1.00 0.00 O ATOM 0 H ASP A 11 -8.674 -1.844 -8.603 1.00 0.00 H new ATOM 0 HA ASP A 11 -8.379 0.976 -8.773 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -10.051 -0.821 -6.920 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -10.206 0.924 -6.954 1.00 0.00 H new ATOM 113 N PHE A 12 -7.190 -0.525 -6.044 1.00 0.00 N ATOM 114 CA PHE A 12 -6.331 -0.351 -4.861 1.00 0.00 C ATOM 115 C PHE A 12 -4.912 0.155 -5.290 1.00 0.00 C ATOM 116 O PHE A 12 -4.426 1.143 -4.767 1.00 0.00 O ATOM 117 CB PHE A 12 -6.211 -1.710 -4.078 1.00 0.00 C ATOM 118 CG PHE A 12 -5.442 -1.457 -2.724 1.00 0.00 C ATOM 119 CD1 PHE A 12 -6.128 -0.830 -1.649 1.00 0.00 C ATOM 120 CD2 PHE A 12 -4.066 -1.796 -2.563 1.00 0.00 C ATOM 121 CE1 PHE A 12 -5.468 -0.558 -0.434 1.00 0.00 C ATOM 122 CE2 PHE A 12 -3.410 -1.523 -1.325 1.00 0.00 C ATOM 123 CZ PHE A 12 -4.114 -0.901 -0.268 1.00 0.00 C ATOM 0 H PHE A 12 -7.488 -1.486 -6.212 1.00 0.00 H new ATOM 0 HA PHE A 12 -6.782 0.394 -4.206 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -7.202 -2.118 -3.878 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -5.679 -2.446 -4.681 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -7.167 -0.559 -1.764 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -3.523 -2.257 -3.374 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -6.005 -0.084 0.374 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -2.372 -1.792 -1.195 1.00 0.00 H new ATOM 0 HZ PHE A 12 -3.613 -0.690 0.665 1.00 0.00 H new ATOM 133 N LYS A 13 -4.287 -0.535 -6.276 1.00 0.00 N ATOM 134 CA LYS A 13 -2.930 -0.173 -6.815 1.00 0.00 C ATOM 135 C LYS A 13 -2.949 1.202 -7.443 1.00 0.00 C ATOM 136 O LYS A 13 -2.006 2.003 -7.300 1.00 0.00 O ATOM 137 CB LYS A 13 -2.515 -1.249 -7.899 1.00 0.00 C ATOM 138 CG LYS A 13 -2.206 -2.645 -7.209 1.00 0.00 C ATOM 139 CD LYS A 13 -1.800 -3.753 -8.276 1.00 0.00 C ATOM 140 CE LYS A 13 -1.447 -5.113 -7.555 1.00 0.00 C ATOM 141 NZ LYS A 13 -2.642 -5.573 -6.799 1.00 0.00 N ATOM 0 H LYS A 13 -4.697 -1.354 -6.725 1.00 0.00 H new ATOM 0 HA LYS A 13 -2.210 -0.161 -5.996 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -3.317 -1.367 -8.628 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -1.636 -0.904 -8.444 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -1.399 -2.523 -6.487 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -3.083 -2.978 -6.654 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -2.620 -3.909 -8.977 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -0.944 -3.410 -8.857 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -1.151 -5.864 -8.288 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -0.602 -4.975 -6.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -2.663 -6.613 -6.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -2.597 -5.211 -5.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -3.503 -5.217 -7.261 1.00 0.00 H new ATOM 155 N LYS A 14 -4.045 1.456 -8.161 1.00 0.00 N ATOM 156 CA LYS A 14 -4.243 2.739 -8.848 1.00 0.00 C ATOM 157 C LYS A 14 -4.180 3.861 -7.829 1.00 0.00 C ATOM 158 O LYS A 14 -3.644 4.937 -8.098 1.00 0.00 O ATOM 159 CB LYS A 14 -5.620 2.765 -9.609 1.00 0.00 C ATOM 160 CG LYS A 14 -5.801 4.123 -10.445 1.00 0.00 C ATOM 161 CD LYS A 14 -7.097 4.078 -11.366 1.00 0.00 C ATOM 162 CE LYS A 14 -6.808 3.356 -12.733 1.00 0.00 C ATOM 163 NZ LYS A 14 -8.078 3.237 -13.478 1.00 0.00 N ATOM 0 H LYS A 14 -4.810 0.792 -8.283 1.00 0.00 H new ATOM 0 HA LYS A 14 -3.454 2.872 -9.588 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -5.681 1.910 -10.283 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -6.435 2.665 -8.893 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -5.872 4.967 -9.758 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -4.920 4.289 -11.065 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -7.899 3.559 -10.842 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -7.445 5.093 -11.556 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -6.080 3.922 -13.314 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -6.378 2.370 -12.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -7.904 2.761 -14.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -8.757 2.681 -12.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -8.468 4.185 -13.653 1.00 0.00 H new ATOM 177 N MET A 15 -4.751 3.604 -6.652 1.00 0.00 N ATOM 178 CA MET A 15 -4.751 4.607 -5.589 1.00 0.00 C ATOM 179 C MET A 15 -3.299 4.843 -5.053 1.00 0.00 C ATOM 180 O MET A 15 -2.911 5.970 -4.799 1.00 0.00 O ATOM 181 CB MET A 15 -5.705 4.140 -4.395 1.00 0.00 C ATOM 182 CG MET A 15 -5.995 5.331 -3.380 1.00 0.00 C ATOM 183 SD MET A 15 -7.059 6.578 -4.207 1.00 0.00 S ATOM 184 CE MET A 15 -7.262 7.746 -2.847 1.00 0.00 C ATOM 0 H MET A 15 -5.212 2.726 -6.413 1.00 0.00 H new ATOM 0 HA MET A 15 -5.125 5.545 -5.999 1.00 0.00 H new ATOM 0 HB2 MET A 15 -6.646 3.771 -4.803 1.00 0.00 H new ATOM 0 HB3 MET A 15 -5.242 3.310 -3.861 1.00 0.00 H new ATOM 0 HG2 MET A 15 -6.487 4.951 -2.485 1.00 0.00 H new ATOM 0 HG3 MET A 15 -5.059 5.788 -3.059 1.00 0.00 H new ATOM 0 HE1 MET A 15 -7.887 8.578 -3.172 1.00 0.00 H new ATOM 0 HE2 MET A 15 -7.736 7.244 -2.004 1.00 0.00 H new ATOM 0 HE3 MET A 15 -6.286 8.123 -2.543 1.00 0.00 H new ATOM 194 N MET A 16 -2.539 3.722 -4.852 1.00 0.00 N ATOM 195 CA MET A 16 -1.151 3.765 -4.270 1.00 0.00 C ATOM 196 C MET A 16 -0.153 4.590 -5.132 1.00 0.00 C ATOM 197 O MET A 16 0.644 5.375 -4.599 1.00 0.00 O ATOM 198 CB MET A 16 -0.601 2.283 -4.149 1.00 0.00 C ATOM 199 CG MET A 16 -1.489 1.403 -3.195 1.00 0.00 C ATOM 200 SD MET A 16 -0.796 -0.296 -3.102 1.00 0.00 S ATOM 201 CE MET A 16 0.453 -0.079 -1.795 1.00 0.00 C ATOM 0 H MET A 16 -2.859 2.781 -5.082 1.00 0.00 H new ATOM 0 HA MET A 16 -1.226 4.252 -3.298 1.00 0.00 H new ATOM 0 HB2 MET A 16 -0.568 1.826 -5.138 1.00 0.00 H new ATOM 0 HB3 MET A 16 0.422 2.305 -3.774 1.00 0.00 H new ATOM 0 HG2 MET A 16 -1.523 1.848 -2.200 1.00 0.00 H new ATOM 0 HG3 MET A 16 -2.514 1.369 -3.564 1.00 0.00 H new ATOM 0 HE1 MET A 16 1.013 -1.006 -1.669 1.00 0.00 H new ATOM 0 HE2 MET A 16 1.137 0.723 -2.075 1.00 0.00 H new ATOM 0 HE3 MET A 16 -0.042 0.176 -0.858 1.00 0.00 H new ATOM 211 N GLU A 17 -0.197 4.392 -6.464 1.00 0.00 N ATOM 212 CA GLU A 17 0.701 5.108 -7.402 1.00 0.00 C ATOM 213 C GLU A 17 0.298 6.615 -7.465 1.00 0.00 C ATOM 214 O GLU A 17 1.160 7.511 -7.541 1.00 0.00 O ATOM 215 CB GLU A 17 0.642 4.387 -8.830 1.00 0.00 C ATOM 216 CG GLU A 17 -0.780 4.514 -9.487 1.00 0.00 C ATOM 217 CD GLU A 17 -0.917 3.639 -10.782 1.00 0.00 C ATOM 218 OE1 GLU A 17 -0.982 2.424 -10.643 1.00 0.00 O ATOM 219 OE2 GLU A 17 -1.001 4.202 -11.870 1.00 0.00 O ATOM 0 H GLU A 17 -0.842 3.745 -6.917 1.00 0.00 H new ATOM 0 HA GLU A 17 1.735 5.071 -7.058 1.00 0.00 H new ATOM 0 HB2 GLU A 17 1.389 4.827 -9.491 1.00 0.00 H new ATOM 0 HB3 GLU A 17 0.898 3.334 -8.717 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -1.539 4.213 -8.766 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -0.972 5.558 -9.735 1.00 0.00 H new ATOM 226 N GLU A 18 -1.054 6.866 -7.415 1.00 0.00 N ATOM 227 CA GLU A 18 -1.644 8.259 -7.454 1.00 0.00 C ATOM 228 C GLU A 18 -1.582 8.947 -6.061 1.00 0.00 C ATOM 229 O GLU A 18 -1.672 10.178 -5.974 1.00 0.00 O ATOM 230 CB GLU A 18 -3.181 8.198 -7.911 1.00 0.00 C ATOM 231 CG GLU A 18 -3.341 7.753 -9.428 1.00 0.00 C ATOM 232 CD GLU A 18 -4.837 7.637 -9.870 1.00 0.00 C ATOM 233 OE1 GLU A 18 -5.722 7.906 -9.062 1.00 0.00 O ATOM 234 OE2 GLU A 18 -5.060 7.268 -11.011 1.00 0.00 O ATOM 0 H GLU A 18 -1.755 6.128 -7.348 1.00 0.00 H new ATOM 0 HA GLU A 18 -1.054 8.836 -8.166 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -3.721 7.500 -7.271 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -3.638 9.177 -7.772 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -2.832 8.473 -10.069 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -2.848 6.792 -9.574 1.00 0.00 H new ATOM 241 N ALA A 19 -1.448 8.140 -4.984 1.00 0.00 N ATOM 242 CA ALA A 19 -1.396 8.657 -3.586 1.00 0.00 C ATOM 243 C ALA A 19 0.047 8.920 -3.210 1.00 0.00 C ATOM 244 O ALA A 19 0.334 9.180 -2.046 1.00 0.00 O ATOM 245 CB ALA A 19 -2.019 7.599 -2.594 1.00 0.00 C ATOM 0 H ALA A 19 -1.373 7.125 -5.051 1.00 0.00 H new ATOM 0 HA ALA A 19 -1.970 9.581 -3.520 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -1.976 7.986 -1.576 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -3.057 7.411 -2.868 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -1.454 6.669 -2.653 1.00 0.00 H new ATOM 251 N LYS A 20 0.978 8.771 -4.228 1.00 0.00 N ATOM 252 CA LYS A 20 2.460 8.879 -3.993 1.00 0.00 C ATOM 253 C LYS A 20 2.713 9.728 -2.739 1.00 0.00 C ATOM 254 O LYS A 20 2.294 10.888 -2.688 1.00 0.00 O ATOM 255 CB LYS A 20 3.183 9.538 -5.254 1.00 0.00 C ATOM 256 CG LYS A 20 4.793 9.363 -5.205 1.00 0.00 C ATOM 257 CD LYS A 20 5.273 7.936 -5.760 1.00 0.00 C ATOM 258 CE LYS A 20 6.831 7.734 -5.570 1.00 0.00 C ATOM 259 NZ LYS A 20 7.111 7.668 -4.111 1.00 0.00 N ATOM 0 H LYS A 20 0.725 8.580 -5.198 1.00 0.00 H new ATOM 0 HA LYS A 20 2.871 7.880 -3.848 1.00 0.00 H new ATOM 0 HB2 LYS A 20 2.799 9.084 -6.168 1.00 0.00 H new ATOM 0 HB3 LYS A 20 2.937 10.599 -5.297 1.00 0.00 H new ATOM 0 HG2 LYS A 20 5.259 10.153 -5.793 1.00 0.00 H new ATOM 0 HG3 LYS A 20 5.137 9.484 -4.178 1.00 0.00 H new ATOM 0 HD2 LYS A 20 4.736 7.143 -5.240 1.00 0.00 H new ATOM 0 HD3 LYS A 20 5.020 7.852 -6.817 1.00 0.00 H new ATOM 0 HE2 LYS A 20 7.160 6.819 -6.063 1.00 0.00 H new ATOM 0 HE3 LYS A 20 7.381 8.557 -6.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 8.060 7.272 -3.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 7.065 8.624 -3.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 6.404 7.062 -3.649 1.00 0.00 H new ATOM 273 N PHE A 21 3.328 9.109 -1.716 1.00 0.00 N ATOM 274 CA PHE A 21 3.570 9.752 -0.415 1.00 0.00 C ATOM 275 C PHE A 21 4.975 9.440 0.045 1.00 0.00 C ATOM 276 O PHE A 21 5.683 8.646 -0.601 1.00 0.00 O ATOM 277 CB PHE A 21 2.494 9.235 0.604 1.00 0.00 C ATOM 278 CG PHE A 21 2.610 7.659 0.769 1.00 0.00 C ATOM 279 CD1 PHE A 21 2.000 6.781 -0.179 1.00 0.00 C ATOM 280 CD2 PHE A 21 3.335 7.092 1.850 1.00 0.00 C ATOM 281 CE1 PHE A 21 2.117 5.375 -0.042 1.00 0.00 C ATOM 282 CE2 PHE A 21 3.443 5.680 1.981 1.00 0.00 C ATOM 283 CZ PHE A 21 2.836 4.827 1.030 1.00 0.00 C ATOM 0 H PHE A 21 3.671 8.150 -1.769 1.00 0.00 H new ATOM 0 HA PHE A 21 3.481 10.836 -0.492 1.00 0.00 H new ATOM 0 HB2 PHE A 21 2.634 9.721 1.570 1.00 0.00 H new ATOM 0 HB3 PHE A 21 1.496 9.499 0.256 1.00 0.00 H new ATOM 0 HD1 PHE A 21 1.444 7.193 -1.008 1.00 0.00 H new ATOM 0 HD2 PHE A 21 3.807 7.736 2.577 1.00 0.00 H new ATOM 0 HE1 PHE A 21 1.651 4.723 -0.766 1.00 0.00 H new ATOM 0 HE2 PHE A 21 3.991 5.257 2.810 1.00 0.00 H new ATOM 0 HZ PHE A 21 2.926 3.755 1.129 1.00 0.00 H new ATOM 293 N ASN A 22 5.387 10.072 1.160 1.00 0.00 N ATOM 294 CA ASN A 22 6.745 9.872 1.724 1.00 0.00 C ATOM 295 C ASN A 22 7.113 8.326 1.758 1.00 0.00 C ATOM 296 O ASN A 22 6.373 7.542 2.372 1.00 0.00 O ATOM 297 CB ASN A 22 6.790 10.499 3.162 1.00 0.00 C ATOM 298 CG ASN A 22 6.622 12.024 3.061 1.00 0.00 C ATOM 299 OD1 ASN A 22 7.557 12.788 3.330 1.00 0.00 O ATOM 300 ND2 ASN A 22 5.484 12.499 2.662 1.00 0.00 N ATOM 0 H ASN A 22 4.806 10.723 1.689 1.00 0.00 H new ATOM 0 HA ASN A 22 7.484 10.367 1.094 1.00 0.00 H new ATOM 0 HB2 ASN A 22 5.999 10.075 3.780 1.00 0.00 H new ATOM 0 HB3 ASN A 22 7.736 10.258 3.646 1.00 0.00 H new ATOM 0 HD21 ASN A 22 5.356 13.507 2.569 1.00 0.00 H new ATOM 0 HD22 ASN A 22 4.716 11.865 2.441 1.00 0.00 H new ATOM 307 N PRO A 23 8.208 7.866 1.069 1.00 0.00 N ATOM 308 CA PRO A 23 8.582 6.385 1.027 1.00 0.00 C ATOM 309 C PRO A 23 9.073 5.856 2.403 1.00 0.00 C ATOM 310 O PRO A 23 9.133 4.639 2.620 1.00 0.00 O ATOM 311 CB PRO A 23 9.709 6.323 -0.085 1.00 0.00 C ATOM 312 CG PRO A 23 10.349 7.696 -0.069 1.00 0.00 C ATOM 313 CD PRO A 23 9.211 8.692 0.289 1.00 0.00 C ATOM 0 HA PRO A 23 7.731 5.744 0.797 1.00 0.00 H new ATOM 0 HB2 PRO A 23 10.439 5.544 0.136 1.00 0.00 H new ATOM 0 HB3 PRO A 23 9.286 6.096 -1.064 1.00 0.00 H new ATOM 0 HG2 PRO A 23 11.154 7.743 0.664 1.00 0.00 H new ATOM 0 HG3 PRO A 23 10.786 7.935 -1.039 1.00 0.00 H new ATOM 0 HD2 PRO A 23 9.586 9.525 0.884 1.00 0.00 H new ATOM 0 HD3 PRO A 23 8.761 9.118 -0.608 1.00 0.00 H new ATOM 321 N ARG A 24 9.455 6.802 3.303 1.00 0.00 N ATOM 322 CA ARG A 24 9.992 6.472 4.658 1.00 0.00 C ATOM 323 C ARG A 24 8.863 6.373 5.699 1.00 0.00 C ATOM 324 O ARG A 24 9.109 5.974 6.847 1.00 0.00 O ATOM 325 CB ARG A 24 11.027 7.577 5.076 1.00 0.00 C ATOM 326 CG ARG A 24 12.259 7.602 4.077 1.00 0.00 C ATOM 327 CD ARG A 24 13.239 8.768 4.440 1.00 0.00 C ATOM 328 NE ARG A 24 13.782 8.522 5.795 1.00 0.00 N ATOM 329 CZ ARG A 24 14.566 9.401 6.443 1.00 0.00 C ATOM 330 NH1 ARG A 24 14.880 10.537 5.887 1.00 0.00 N ATOM 331 NH2 ARG A 24 15.002 9.115 7.647 1.00 0.00 N ATOM 0 H ARG A 24 9.402 7.803 3.116 1.00 0.00 H new ATOM 0 HA ARG A 24 10.483 5.500 4.617 1.00 0.00 H new ATOM 0 HB2 ARG A 24 10.541 8.552 5.085 1.00 0.00 H new ATOM 0 HB3 ARG A 24 11.379 7.387 6.090 1.00 0.00 H new ATOM 0 HG2 ARG A 24 12.787 6.649 4.119 1.00 0.00 H new ATOM 0 HG3 ARG A 24 11.902 7.724 3.054 1.00 0.00 H new ATOM 0 HD2 ARG A 24 14.048 8.823 3.712 1.00 0.00 H new ATOM 0 HD3 ARG A 24 12.717 9.725 4.409 1.00 0.00 H new ATOM 0 HE ARG A 24 13.550 7.644 6.259 1.00 0.00 H new ATOM 0 HH11 ARG A 24 14.531 10.763 4.956 1.00 0.00 H new ATOM 0 HH12 ARG A 24 15.475 11.200 6.383 1.00 0.00 H new ATOM 0 HH21 ARG A 24 14.746 8.230 8.085 1.00 0.00 H new ATOM 0 HH22 ARG A 24 15.597 9.777 8.145 1.00 0.00 H new ATOM 345 N ALA A 25 7.621 6.693 5.276 1.00 0.00 N ATOM 346 CA ALA A 25 6.447 6.576 6.154 1.00 0.00 C ATOM 347 C ALA A 25 6.156 5.078 6.318 1.00 0.00 C ATOM 348 O ALA A 25 6.532 4.277 5.453 1.00 0.00 O ATOM 349 CB ALA A 25 5.223 7.311 5.545 1.00 0.00 C ATOM 0 H ALA A 25 7.411 7.032 4.337 1.00 0.00 H new ATOM 0 HA ALA A 25 6.644 7.039 7.121 1.00 0.00 H new ATOM 0 HB1 ALA A 25 4.368 7.209 6.213 1.00 0.00 H new ATOM 0 HB2 ALA A 25 5.460 8.367 5.417 1.00 0.00 H new ATOM 0 HB3 ALA A 25 4.980 6.873 4.577 1.00 0.00 H new ATOM 355 N THR A 26 5.506 4.724 7.423 1.00 0.00 N ATOM 356 CA THR A 26 5.156 3.327 7.734 1.00 0.00 C ATOM 357 C THR A 26 3.728 3.078 7.261 1.00 0.00 C ATOM 358 O THR A 26 2.973 4.026 6.965 1.00 0.00 O ATOM 359 CB THR A 26 5.289 3.096 9.301 1.00 0.00 C ATOM 360 OG1 THR A 26 6.560 3.582 9.716 1.00 0.00 O ATOM 361 CG2 THR A 26 5.176 1.566 9.726 1.00 0.00 C ATOM 0 H THR A 26 5.204 5.392 8.133 1.00 0.00 H new ATOM 0 HA THR A 26 5.826 2.631 7.229 1.00 0.00 H new ATOM 0 HB THR A 26 4.464 3.625 9.778 1.00 0.00 H new ATOM 0 HG1 THR A 26 6.661 3.450 10.682 1.00 0.00 H new ATOM 0 HG21 THR A 26 5.275 1.481 10.808 1.00 0.00 H new ATOM 0 HG22 THR A 26 4.207 1.174 9.419 1.00 0.00 H new ATOM 0 HG23 THR A 26 5.969 0.995 9.243 1.00 0.00 H new ATOM 369 N PHE A 27 3.364 1.801 7.215 1.00 0.00 N ATOM 370 CA PHE A 27 2.021 1.355 6.815 1.00 0.00 C ATOM 371 C PHE A 27 0.938 1.915 7.780 1.00 0.00 C ATOM 372 O PHE A 27 -0.124 2.345 7.344 1.00 0.00 O ATOM 373 CB PHE A 27 1.974 -0.214 6.815 1.00 0.00 C ATOM 374 CG PHE A 27 0.512 -0.685 6.481 1.00 0.00 C ATOM 375 CD1 PHE A 27 -0.004 -0.492 5.176 1.00 0.00 C ATOM 376 CD2 PHE A 27 -0.340 -1.234 7.493 1.00 0.00 C ATOM 377 CE1 PHE A 27 -1.329 -0.847 4.872 1.00 0.00 C ATOM 378 CE2 PHE A 27 -1.672 -1.596 7.175 1.00 0.00 C ATOM 379 CZ PHE A 27 -2.166 -1.397 5.868 1.00 0.00 C ATOM 0 H PHE A 27 3.993 1.035 7.455 1.00 0.00 H new ATOM 0 HA PHE A 27 1.812 1.732 5.814 1.00 0.00 H new ATOM 0 HB2 PHE A 27 2.674 -0.611 6.080 1.00 0.00 H new ATOM 0 HB3 PHE A 27 2.280 -0.599 7.788 1.00 0.00 H new ATOM 0 HD1 PHE A 27 0.626 -0.068 4.408 1.00 0.00 H new ATOM 0 HD2 PHE A 27 0.033 -1.372 8.497 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -1.709 -0.699 3.872 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -2.310 -2.025 7.933 1.00 0.00 H new ATOM 0 HZ PHE A 27 -3.185 -1.665 5.629 1.00 0.00 H new ATOM 389 N SER A 28 1.234 1.863 9.092 1.00 0.00 N ATOM 390 CA SER A 28 0.295 2.338 10.145 1.00 0.00 C ATOM 391 C SER A 28 -0.049 3.836 9.918 1.00 0.00 C ATOM 392 O SER A 28 -1.206 4.238 10.053 1.00 0.00 O ATOM 393 CB SER A 28 0.947 2.156 11.556 1.00 0.00 C ATOM 394 OG SER A 28 0.032 2.581 12.565 1.00 0.00 O ATOM 0 H SER A 28 2.114 1.498 9.456 1.00 0.00 H new ATOM 0 HA SER A 28 -0.622 1.751 10.092 1.00 0.00 H new ATOM 0 HB2 SER A 28 1.216 1.111 11.711 1.00 0.00 H new ATOM 0 HB3 SER A 28 1.868 2.735 11.619 1.00 0.00 H new ATOM 0 HG SER A 28 0.441 2.465 13.448 1.00 0.00 H new ATOM 400 N GLU A 29 0.975 4.641 9.548 1.00 0.00 N ATOM 401 CA GLU A 29 0.799 6.095 9.270 1.00 0.00 C ATOM 402 C GLU A 29 -0.021 6.307 7.968 1.00 0.00 C ATOM 403 O GLU A 29 -0.960 7.126 7.921 1.00 0.00 O ATOM 404 CB GLU A 29 2.235 6.770 9.138 1.00 0.00 C ATOM 405 CG GLU A 29 3.032 6.720 10.511 1.00 0.00 C ATOM 406 CD GLU A 29 2.313 7.542 11.612 1.00 0.00 C ATOM 407 OE1 GLU A 29 2.050 8.709 11.370 1.00 0.00 O ATOM 408 OE2 GLU A 29 2.046 6.992 12.672 1.00 0.00 O ATOM 0 H GLU A 29 1.934 4.312 9.434 1.00 0.00 H new ATOM 0 HA GLU A 29 0.250 6.558 10.090 1.00 0.00 H new ATOM 0 HB2 GLU A 29 2.808 6.259 8.365 1.00 0.00 H new ATOM 0 HB3 GLU A 29 2.123 7.806 8.819 1.00 0.00 H new ATOM 0 HG2 GLU A 29 3.135 5.685 10.836 1.00 0.00 H new ATOM 0 HG3 GLU A 29 4.039 7.109 10.363 1.00 0.00 H new ATOM 415 N PHE A 30 0.335 5.543 6.920 1.00 0.00 N ATOM 416 CA PHE A 30 -0.362 5.606 5.619 1.00 0.00 C ATOM 417 C PHE A 30 -1.848 5.120 5.743 1.00 0.00 C ATOM 418 O PHE A 30 -2.771 5.747 5.211 1.00 0.00 O ATOM 419 CB PHE A 30 0.403 4.706 4.583 1.00 0.00 C ATOM 420 CG PHE A 30 -0.334 4.794 3.200 1.00 0.00 C ATOM 421 CD1 PHE A 30 -0.173 5.954 2.395 1.00 0.00 C ATOM 422 CD2 PHE A 30 -1.240 3.769 2.773 1.00 0.00 C ATOM 423 CE1 PHE A 30 -0.882 6.085 1.180 1.00 0.00 C ATOM 424 CE2 PHE A 30 -1.957 3.917 1.559 1.00 0.00 C ATOM 425 CZ PHE A 30 -1.779 5.076 0.766 1.00 0.00 C ATOM 0 H PHE A 30 1.103 4.872 6.947 1.00 0.00 H new ATOM 0 HA PHE A 30 -0.375 6.643 5.283 1.00 0.00 H new ATOM 0 HB2 PHE A 30 1.436 5.040 4.483 1.00 0.00 H new ATOM 0 HB3 PHE A 30 0.434 3.673 4.930 1.00 0.00 H new ATOM 0 HD1 PHE A 30 0.495 6.740 2.714 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -1.377 2.884 3.376 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -0.737 6.961 0.565 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -2.640 3.144 1.239 1.00 0.00 H new ATOM 0 HZ PHE A 30 -2.330 5.189 -0.156 1.00 0.00 H new ATOM 435 N ALA A 31 -2.034 3.969 6.450 1.00 0.00 N ATOM 436 CA ALA A 31 -3.372 3.348 6.658 1.00 0.00 C ATOM 437 C ALA A 31 -4.259 4.268 7.523 1.00 0.00 C ATOM 438 O ALA A 31 -5.433 4.414 7.251 1.00 0.00 O ATOM 439 CB ALA A 31 -3.194 1.953 7.356 1.00 0.00 C ATOM 0 H ALA A 31 -1.270 3.452 6.886 1.00 0.00 H new ATOM 0 HA ALA A 31 -3.859 3.209 5.693 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -4.171 1.496 7.510 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -2.586 1.305 6.725 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -2.701 2.088 8.319 1.00 0.00 H new ATOM 445 N ALA A 32 -3.647 4.893 8.553 1.00 0.00 N ATOM 446 CA ALA A 32 -4.365 5.824 9.471 1.00 0.00 C ATOM 447 C ALA A 32 -4.989 6.979 8.662 1.00 0.00 C ATOM 448 O ALA A 32 -6.109 7.432 8.953 1.00 0.00 O ATOM 449 CB ALA A 32 -3.358 6.417 10.534 1.00 0.00 C ATOM 0 H ALA A 32 -2.659 4.774 8.775 1.00 0.00 H new ATOM 0 HA ALA A 32 -5.152 5.273 9.986 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -3.890 7.096 11.200 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -2.923 5.604 11.116 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -2.565 6.961 10.020 1.00 0.00 H new ATOM 455 N LYS A 33 -4.255 7.436 7.635 1.00 0.00 N ATOM 456 CA LYS A 33 -4.737 8.525 6.756 1.00 0.00 C ATOM 457 C LYS A 33 -5.886 8.036 5.802 1.00 0.00 C ATOM 458 O LYS A 33 -6.867 8.756 5.598 1.00 0.00 O ATOM 459 CB LYS A 33 -3.531 9.108 5.906 1.00 0.00 C ATOM 460 CG LYS A 33 -3.990 10.396 5.076 1.00 0.00 C ATOM 461 CD LYS A 33 -2.790 11.036 4.279 1.00 0.00 C ATOM 462 CE LYS A 33 -3.259 12.320 3.496 1.00 0.00 C ATOM 463 NZ LYS A 33 -2.092 12.885 2.796 1.00 0.00 N ATOM 0 H LYS A 33 -3.333 7.075 7.390 1.00 0.00 H new ATOM 0 HA LYS A 33 -5.147 9.311 7.391 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -2.707 9.372 6.569 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -3.159 8.344 5.224 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -4.781 10.117 4.380 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -4.410 11.136 5.757 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -1.988 11.298 4.969 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -2.382 10.307 3.579 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -4.043 12.065 2.783 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -3.680 13.052 4.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -2.380 13.736 2.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -1.360 13.138 3.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -1.711 12.181 2.132 1.00 0.00 H new ATOM 477 N HIS A 34 -5.707 6.815 5.195 1.00 0.00 N ATOM 478 CA HIS A 34 -6.690 6.231 4.223 1.00 0.00 C ATOM 479 C HIS A 34 -7.667 5.281 4.946 1.00 0.00 C ATOM 480 O HIS A 34 -8.499 4.647 4.311 1.00 0.00 O ATOM 481 CB HIS A 34 -5.904 5.472 3.092 1.00 0.00 C ATOM 482 CG HIS A 34 -5.131 6.475 2.243 1.00 0.00 C ATOM 483 ND1 HIS A 34 -3.901 6.977 2.638 1.00 0.00 N ATOM 484 CD2 HIS A 34 -5.426 7.098 1.053 1.00 0.00 C ATOM 485 CE1 HIS A 34 -3.509 7.863 1.704 1.00 0.00 C ATOM 486 NE2 HIS A 34 -4.401 7.971 0.716 1.00 0.00 N ATOM 0 H HIS A 34 -4.894 6.222 5.363 1.00 0.00 H new ATOM 0 HA HIS A 34 -7.279 7.032 3.775 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -5.218 4.750 3.534 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -6.598 4.910 2.467 1.00 0.00 H new ATOM 0 HD1 HIS A 34 -3.387 6.722 3.481 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -6.320 6.933 0.469 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -2.585 8.420 1.748 1.00 0.00 H new ATOM 494 N ALA A 35 -7.528 5.170 6.289 1.00 0.00 N ATOM 495 CA ALA A 35 -8.366 4.241 7.121 1.00 0.00 C ATOM 496 C ALA A 35 -9.868 4.465 6.853 1.00 0.00 C ATOM 497 O ALA A 35 -10.656 3.504 6.810 1.00 0.00 O ATOM 498 CB ALA A 35 -8.066 4.470 8.668 1.00 0.00 C ATOM 0 H ALA A 35 -6.848 5.706 6.828 1.00 0.00 H new ATOM 0 HA ALA A 35 -8.109 3.218 6.846 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -8.679 3.792 9.262 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -7.012 4.275 8.867 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -8.302 5.500 8.936 1.00 0.00 H new ATOM 504 N LYS A 36 -10.244 5.750 6.675 1.00 0.00 N ATOM 505 CA LYS A 36 -11.642 6.158 6.408 1.00 0.00 C ATOM 506 C LYS A 36 -12.011 5.896 4.934 1.00 0.00 C ATOM 507 O LYS A 36 -13.200 5.937 4.572 1.00 0.00 O ATOM 508 CB LYS A 36 -11.789 7.717 6.749 1.00 0.00 C ATOM 509 CG LYS A 36 -10.873 8.612 5.755 1.00 0.00 C ATOM 510 CD LYS A 36 -10.942 10.173 6.095 1.00 0.00 C ATOM 511 CE LYS A 36 -10.024 11.020 5.106 1.00 0.00 C ATOM 512 NZ LYS A 36 -10.503 10.814 3.709 1.00 0.00 N ATOM 0 H LYS A 36 -9.590 6.532 6.712 1.00 0.00 H new ATOM 0 HA LYS A 36 -12.320 5.575 7.031 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -12.833 8.017 6.658 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -11.495 7.897 7.783 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -9.838 8.275 5.819 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -11.197 8.453 4.727 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -11.973 10.518 6.023 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -10.622 10.338 7.124 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -10.065 12.078 5.367 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -8.983 10.709 5.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -10.077 11.531 3.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -10.227 9.865 3.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -11.539 10.902 3.681 1.00 0.00 H new ATOM 526 N ASP A 37 -10.979 5.627 4.071 1.00 0.00 N ATOM 527 CA ASP A 37 -11.221 5.365 2.621 1.00 0.00 C ATOM 528 C ASP A 37 -12.043 4.059 2.482 1.00 0.00 C ATOM 529 O ASP A 37 -11.841 3.114 3.249 1.00 0.00 O ATOM 530 CB ASP A 37 -9.848 5.261 1.816 1.00 0.00 C ATOM 531 CG ASP A 37 -10.086 5.380 0.286 1.00 0.00 C ATOM 532 OD1 ASP A 37 -10.789 4.541 -0.246 1.00 0.00 O ATOM 533 OD2 ASP A 37 -9.547 6.302 -0.321 1.00 0.00 O ATOM 0 H ASP A 37 -9.998 5.587 4.349 1.00 0.00 H new ATOM 0 HA ASP A 37 -11.780 6.197 2.193 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -9.170 6.049 2.144 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -9.363 4.310 2.039 1.00 0.00 H new ATOM 538 N SER A 38 -12.989 4.041 1.527 1.00 0.00 N ATOM 539 CA SER A 38 -13.876 2.871 1.276 1.00 0.00 C ATOM 540 C SER A 38 -13.062 1.636 0.776 1.00 0.00 C ATOM 541 O SER A 38 -13.390 0.481 1.087 1.00 0.00 O ATOM 542 CB SER A 38 -14.954 3.269 0.242 1.00 0.00 C ATOM 543 OG SER A 38 -15.835 2.172 0.030 1.00 0.00 O ATOM 0 H SER A 38 -13.167 4.829 0.905 1.00 0.00 H new ATOM 0 HA SER A 38 -14.355 2.584 2.212 1.00 0.00 H new ATOM 0 HB2 SER A 38 -15.513 4.135 0.598 1.00 0.00 H new ATOM 0 HB3 SER A 38 -14.483 3.558 -0.698 1.00 0.00 H new ATOM 0 HG SER A 38 -16.520 2.424 -0.624 1.00 0.00 H new ATOM 549 N ARG A 39 -12.009 1.927 -0.024 1.00 0.00 N ATOM 550 CA ARG A 39 -11.103 0.889 -0.619 1.00 0.00 C ATOM 551 C ARG A 39 -10.284 0.164 0.471 1.00 0.00 C ATOM 552 O ARG A 39 -9.819 -0.963 0.270 1.00 0.00 O ATOM 553 CB ARG A 39 -10.083 1.579 -1.630 1.00 0.00 C ATOM 554 CG ARG A 39 -10.842 2.166 -2.884 1.00 0.00 C ATOM 555 CD ARG A 39 -9.860 2.831 -3.907 1.00 0.00 C ATOM 556 NE ARG A 39 -10.659 3.391 -5.020 1.00 0.00 N ATOM 557 CZ ARG A 39 -11.299 4.589 -4.944 1.00 0.00 C ATOM 558 NH1 ARG A 39 -11.291 5.307 -3.840 1.00 0.00 N ATOM 559 NH2 ARG A 39 -11.967 5.012 -5.981 1.00 0.00 N ATOM 0 H ARG A 39 -11.756 2.881 -0.280 1.00 0.00 H new ATOM 0 HA ARG A 39 -11.731 0.164 -1.137 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -9.543 2.377 -1.120 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -9.341 0.851 -1.957 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -11.395 1.368 -3.379 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -11.574 2.903 -2.553 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -9.281 3.617 -3.422 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -9.148 2.096 -4.283 1.00 0.00 H new ATOM 0 HE ARG A 39 -10.733 2.854 -5.884 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -10.797 4.968 -3.015 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -11.779 6.202 -3.810 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -12.003 4.447 -6.830 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -12.454 5.908 -5.944 1.00 0.00 H new ATOM 573 N PHE A 40 -10.075 0.855 1.613 1.00 0.00 N ATOM 574 CA PHE A 40 -9.277 0.291 2.714 1.00 0.00 C ATOM 575 C PHE A 40 -10.021 -0.914 3.386 1.00 0.00 C ATOM 576 O PHE A 40 -9.453 -2.013 3.542 1.00 0.00 O ATOM 577 CB PHE A 40 -8.977 1.407 3.766 1.00 0.00 C ATOM 578 CG PHE A 40 -8.002 0.836 4.831 1.00 0.00 C ATOM 579 CD1 PHE A 40 -6.608 0.842 4.572 1.00 0.00 C ATOM 580 CD2 PHE A 40 -8.492 0.230 6.030 1.00 0.00 C ATOM 581 CE1 PHE A 40 -5.723 0.271 5.482 1.00 0.00 C ATOM 582 CE2 PHE A 40 -7.585 -0.337 6.952 1.00 0.00 C ATOM 583 CZ PHE A 40 -6.201 -0.326 6.673 1.00 0.00 C ATOM 0 H PHE A 40 -10.443 1.789 1.792 1.00 0.00 H new ATOM 0 HA PHE A 40 -8.336 -0.084 2.310 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -8.537 2.277 3.279 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -9.901 1.739 4.239 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -6.231 1.291 3.665 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -9.553 0.206 6.230 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -4.663 0.284 5.278 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -7.949 -0.778 7.868 1.00 0.00 H new ATOM 0 HZ PHE A 40 -5.507 -0.773 7.369 1.00 0.00 H new ATOM 593 N LYS A 41 -11.300 -0.654 3.760 1.00 0.00 N ATOM 594 CA LYS A 41 -12.192 -1.646 4.425 1.00 0.00 C ATOM 595 C LYS A 41 -12.712 -2.697 3.420 1.00 0.00 C ATOM 596 O LYS A 41 -13.219 -3.749 3.821 1.00 0.00 O ATOM 597 CB LYS A 41 -13.430 -0.871 5.088 1.00 0.00 C ATOM 598 CG LYS A 41 -14.239 -0.034 3.984 1.00 0.00 C ATOM 599 CD LYS A 41 -15.538 0.692 4.577 1.00 0.00 C ATOM 600 CE LYS A 41 -15.191 1.899 5.512 1.00 0.00 C ATOM 601 NZ LYS A 41 -16.466 2.516 5.969 1.00 0.00 N ATOM 0 H LYS A 41 -11.745 0.251 3.610 1.00 0.00 H new ATOM 0 HA LYS A 41 -11.620 -2.170 5.191 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -14.097 -1.587 5.568 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -13.069 -0.199 5.867 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -13.578 0.715 3.548 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -14.540 -0.703 3.177 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -16.158 1.044 3.753 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -16.130 -0.034 5.134 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -14.605 1.561 6.367 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -14.585 2.631 4.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -16.258 3.322 6.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -17.007 2.847 5.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -17.026 1.811 6.490 1.00 0.00 H new ATOM 615 N ALA A 42 -12.576 -2.390 2.104 1.00 0.00 N ATOM 616 CA ALA A 42 -13.029 -3.296 1.011 1.00 0.00 C ATOM 617 C ALA A 42 -12.216 -4.605 1.058 1.00 0.00 C ATOM 618 O ALA A 42 -12.759 -5.691 0.809 1.00 0.00 O ATOM 619 CB ALA A 42 -12.846 -2.590 -0.378 1.00 0.00 C ATOM 0 H ALA A 42 -12.156 -1.522 1.772 1.00 0.00 H new ATOM 0 HA ALA A 42 -14.085 -3.529 1.146 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -13.179 -3.258 -1.172 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -13.437 -1.675 -0.402 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -11.794 -2.346 -0.526 1.00 0.00 H new ATOM 625 N ILE A 43 -10.917 -4.476 1.417 1.00 0.00 N ATOM 626 CA ILE A 43 -10.016 -5.630 1.548 1.00 0.00 C ATOM 627 C ILE A 43 -10.170 -6.127 2.998 1.00 0.00 C ATOM 628 O ILE A 43 -9.903 -5.385 3.951 1.00 0.00 O ATOM 629 CB ILE A 43 -8.492 -5.204 1.282 1.00 0.00 C ATOM 630 CG1 ILE A 43 -8.371 -4.555 -0.180 1.00 0.00 C ATOM 631 CG2 ILE A 43 -7.535 -6.486 1.408 1.00 0.00 C ATOM 632 CD1 ILE A 43 -6.988 -3.886 -0.416 1.00 0.00 C ATOM 0 H ILE A 43 -10.475 -3.579 1.620 1.00 0.00 H new ATOM 0 HA ILE A 43 -10.267 -6.402 0.820 1.00 0.00 H new ATOM 0 HB ILE A 43 -8.182 -4.469 2.025 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -8.532 -5.327 -0.932 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -9.158 -3.813 -0.312 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -6.502 -6.188 1.226 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -7.620 -6.907 2.410 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -7.832 -7.235 0.674 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -6.956 -3.462 -1.419 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -6.837 -3.094 0.318 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -6.200 -4.632 -0.312 1.00 0.00 H new ATOM 644 N GLU A 44 -10.612 -7.385 3.143 1.00 0.00 N ATOM 645 CA GLU A 44 -10.816 -8.010 4.460 1.00 0.00 C ATOM 646 C GLU A 44 -9.449 -8.329 5.124 1.00 0.00 C ATOM 647 O GLU A 44 -9.251 -8.096 6.324 1.00 0.00 O ATOM 648 CB GLU A 44 -11.648 -9.350 4.254 1.00 0.00 C ATOM 649 CG GLU A 44 -12.020 -10.035 5.643 1.00 0.00 C ATOM 650 CD GLU A 44 -12.875 -11.312 5.439 1.00 0.00 C ATOM 651 OE1 GLU A 44 -12.485 -12.140 4.628 1.00 0.00 O ATOM 652 OE2 GLU A 44 -13.895 -11.441 6.102 1.00 0.00 O ATOM 0 H GLU A 44 -10.837 -7.995 2.357 1.00 0.00 H new ATOM 0 HA GLU A 44 -11.359 -7.327 5.114 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -12.561 -9.129 3.701 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -11.070 -10.047 3.648 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -11.106 -10.290 6.180 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -12.567 -9.326 6.264 1.00 0.00 H new ATOM 659 N LYS A 45 -8.510 -8.913 4.299 1.00 0.00 N ATOM 660 CA LYS A 45 -7.165 -9.324 4.776 1.00 0.00 C ATOM 661 C LYS A 45 -6.240 -8.103 4.889 1.00 0.00 C ATOM 662 O LYS A 45 -6.017 -7.377 3.921 1.00 0.00 O ATOM 663 CB LYS A 45 -6.537 -10.388 3.767 1.00 0.00 C ATOM 664 CG LYS A 45 -7.403 -11.728 3.731 1.00 0.00 C ATOM 665 CD LYS A 45 -6.790 -12.794 2.710 1.00 0.00 C ATOM 666 CE LYS A 45 -7.682 -14.097 2.650 1.00 0.00 C ATOM 667 NZ LYS A 45 -7.756 -14.685 4.012 1.00 0.00 N ATOM 0 H LYS A 45 -8.673 -9.102 3.310 1.00 0.00 H new ATOM 0 HA LYS A 45 -7.266 -9.777 5.762 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -6.485 -9.958 2.767 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -5.515 -10.620 4.068 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -7.445 -12.162 4.730 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -8.427 -11.493 3.442 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -6.718 -12.352 1.716 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -5.777 -13.056 3.016 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -8.681 -13.855 2.288 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -7.255 -14.816 1.951 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -8.131 -15.653 3.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -6.805 -14.707 4.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -8.384 -14.107 4.606 1.00 0.00 H new ATOM 681 N MET A 46 -5.691 -7.920 6.083 1.00 0.00 N ATOM 682 CA MET A 46 -4.768 -6.828 6.392 1.00 0.00 C ATOM 683 C MET A 46 -3.337 -7.208 5.952 1.00 0.00 C ATOM 684 O MET A 46 -2.496 -6.331 5.677 1.00 0.00 O ATOM 685 CB MET A 46 -4.844 -6.529 7.951 1.00 0.00 C ATOM 686 CG MET A 46 -4.693 -7.859 8.807 1.00 0.00 C ATOM 687 SD MET A 46 -4.655 -7.463 10.597 1.00 0.00 S ATOM 688 CE MET A 46 -4.438 -9.154 11.255 1.00 0.00 C ATOM 0 H MET A 46 -5.875 -8.533 6.877 1.00 0.00 H new ATOM 0 HA MET A 46 -5.046 -5.925 5.848 1.00 0.00 H new ATOM 0 HB2 MET A 46 -4.057 -5.826 8.227 1.00 0.00 H new ATOM 0 HB3 MET A 46 -5.795 -6.051 8.185 1.00 0.00 H new ATOM 0 HG2 MET A 46 -5.523 -8.533 8.594 1.00 0.00 H new ATOM 0 HG3 MET A 46 -3.779 -8.380 8.523 1.00 0.00 H new ATOM 0 HE1 MET A 46 -4.392 -9.118 12.343 1.00 0.00 H new ATOM 0 HE2 MET A 46 -5.280 -9.775 10.948 1.00 0.00 H new ATOM 0 HE3 MET A 46 -3.513 -9.579 10.867 1.00 0.00 H new ATOM 698 N LYS A 47 -3.069 -8.533 5.902 1.00 0.00 N ATOM 699 CA LYS A 47 -1.735 -9.079 5.515 1.00 0.00 C ATOM 700 C LYS A 47 -1.398 -8.734 4.061 1.00 0.00 C ATOM 701 O LYS A 47 -0.247 -8.423 3.727 1.00 0.00 O ATOM 702 CB LYS A 47 -1.729 -10.660 5.692 1.00 0.00 C ATOM 703 CG LYS A 47 -1.887 -11.062 7.219 1.00 0.00 C ATOM 704 CD LYS A 47 -1.856 -12.648 7.416 1.00 0.00 C ATOM 705 CE LYS A 47 -1.983 -13.021 8.945 1.00 0.00 C ATOM 706 NZ LYS A 47 -3.281 -12.502 9.447 1.00 0.00 N ATOM 0 H LYS A 47 -3.758 -9.251 6.125 1.00 0.00 H new ATOM 0 HA LYS A 47 -0.984 -8.628 6.163 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -2.541 -11.098 5.111 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -0.799 -11.070 5.299 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -1.085 -10.607 7.801 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -2.826 -10.665 7.605 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -2.671 -13.105 6.856 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -0.927 -13.052 7.014 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -1.930 -14.102 9.078 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -1.157 -12.589 9.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -3.502 -12.945 10.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -3.219 -11.471 9.568 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -4.032 -12.726 8.764 1.00 0.00 H new ATOM 720 N ASP A 48 -2.434 -8.802 3.193 1.00 0.00 N ATOM 721 CA ASP A 48 -2.268 -8.512 1.761 1.00 0.00 C ATOM 722 C ASP A 48 -1.884 -7.035 1.574 1.00 0.00 C ATOM 723 O ASP A 48 -1.076 -6.702 0.701 1.00 0.00 O ATOM 724 CB ASP A 48 -3.590 -8.842 0.980 1.00 0.00 C ATOM 725 CG ASP A 48 -3.426 -8.545 -0.534 1.00 0.00 C ATOM 726 OD1 ASP A 48 -2.622 -9.211 -1.157 1.00 0.00 O ATOM 727 OD2 ASP A 48 -4.110 -7.658 -1.032 1.00 0.00 O ATOM 0 H ASP A 48 -3.385 -9.054 3.463 1.00 0.00 H new ATOM 0 HA ASP A 48 -1.471 -9.138 1.360 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -3.850 -9.891 1.123 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -4.413 -8.252 1.384 1.00 0.00 H new ATOM 732 N ARG A 49 -2.486 -6.142 2.411 1.00 0.00 N ATOM 733 CA ARG A 49 -2.196 -4.693 2.325 1.00 0.00 C ATOM 734 C ARG A 49 -0.739 -4.423 2.719 1.00 0.00 C ATOM 735 O ARG A 49 -0.044 -3.611 2.090 1.00 0.00 O ATOM 736 CB ARG A 49 -3.156 -3.843 3.247 1.00 0.00 C ATOM 737 CG ARG A 49 -4.654 -3.845 2.711 1.00 0.00 C ATOM 738 CD ARG A 49 -5.508 -2.721 3.407 1.00 0.00 C ATOM 739 NE ARG A 49 -5.583 -2.957 4.859 1.00 0.00 N ATOM 740 CZ ARG A 49 -6.514 -3.748 5.449 1.00 0.00 C ATOM 741 NH1 ARG A 49 -7.389 -4.420 4.749 1.00 0.00 N ATOM 742 NH2 ARG A 49 -6.484 -3.895 6.748 1.00 0.00 N ATOM 0 H ARG A 49 -3.158 -6.398 3.134 1.00 0.00 H new ATOM 0 HA ARG A 49 -2.364 -4.389 1.292 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -3.133 -4.243 4.261 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -2.792 -2.817 3.301 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -4.657 -3.692 1.632 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -5.108 -4.818 2.897 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -5.063 -1.745 3.213 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -6.512 -2.703 2.983 1.00 0.00 H new ATOM 0 HE ARG A 49 -4.894 -2.499 5.456 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -7.384 -4.358 3.731 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -8.077 -5.007 5.221 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -5.769 -3.419 7.299 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -7.175 -4.485 7.211 1.00 0.00 H new ATOM 756 N GLU A 50 -0.278 -5.125 3.785 1.00 0.00 N ATOM 757 CA GLU A 50 1.111 -4.968 4.275 1.00 0.00 C ATOM 758 C GLU A 50 2.095 -5.451 3.181 1.00 0.00 C ATOM 759 O GLU A 50 3.119 -4.814 2.927 1.00 0.00 O ATOM 760 CB GLU A 50 1.325 -5.786 5.613 1.00 0.00 C ATOM 761 CG GLU A 50 2.856 -5.710 6.120 1.00 0.00 C ATOM 762 CD GLU A 50 3.729 -6.834 5.479 1.00 0.00 C ATOM 763 OE1 GLU A 50 3.568 -7.978 5.872 1.00 0.00 O ATOM 764 OE2 GLU A 50 4.538 -6.524 4.617 1.00 0.00 O ATOM 0 H GLU A 50 -0.839 -5.794 4.313 1.00 0.00 H new ATOM 0 HA GLU A 50 1.299 -3.916 4.491 1.00 0.00 H new ATOM 0 HB2 GLU A 50 0.665 -5.396 6.388 1.00 0.00 H new ATOM 0 HB3 GLU A 50 1.046 -6.827 5.452 1.00 0.00 H new ATOM 0 HG2 GLU A 50 3.275 -4.735 5.870 1.00 0.00 H new ATOM 0 HG3 GLU A 50 2.885 -5.800 7.206 1.00 0.00 H new ATOM 771 N ALA A 51 1.758 -6.605 2.535 1.00 0.00 N ATOM 772 CA ALA A 51 2.605 -7.200 1.462 1.00 0.00 C ATOM 773 C ALA A 51 2.788 -6.204 0.282 1.00 0.00 C ATOM 774 O ALA A 51 3.904 -5.973 -0.186 1.00 0.00 O ATOM 775 CB ALA A 51 1.929 -8.533 0.938 1.00 0.00 C ATOM 0 H ALA A 51 0.912 -7.137 2.738 1.00 0.00 H new ATOM 0 HA ALA A 51 3.588 -7.422 1.877 1.00 0.00 H new ATOM 0 HB1 ALA A 51 2.547 -8.970 0.153 1.00 0.00 H new ATOM 0 HB2 ALA A 51 1.834 -9.241 1.761 1.00 0.00 H new ATOM 0 HB3 ALA A 51 0.941 -8.307 0.538 1.00 0.00 H new ATOM 781 N LEU A 52 1.657 -5.610 -0.170 1.00 0.00 N ATOM 782 CA LEU A 52 1.641 -4.614 -1.294 1.00 0.00 C ATOM 783 C LEU A 52 2.437 -3.369 -0.928 1.00 0.00 C ATOM 784 O LEU A 52 3.236 -2.876 -1.714 1.00 0.00 O ATOM 785 CB LEU A 52 0.120 -4.241 -1.576 1.00 0.00 C ATOM 786 CG LEU A 52 -0.665 -5.460 -2.278 1.00 0.00 C ATOM 787 CD1 LEU A 52 -2.233 -5.269 -2.136 1.00 0.00 C ATOM 788 CD2 LEU A 52 -0.270 -5.561 -3.829 1.00 0.00 C ATOM 0 H LEU A 52 0.734 -5.798 0.222 1.00 0.00 H new ATOM 0 HA LEU A 52 2.104 -5.041 -2.184 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -0.372 -3.981 -0.639 1.00 0.00 H new ATOM 0 HB3 LEU A 52 0.073 -3.360 -2.216 1.00 0.00 H new ATOM 0 HG LEU A 52 -0.376 -6.384 -1.777 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -2.746 -6.102 -2.616 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -2.502 -5.238 -1.080 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -2.531 -4.336 -2.614 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -0.809 -6.390 -4.289 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -0.535 -4.632 -4.333 1.00 0.00 H new ATOM 0 HD23 LEU A 52 0.803 -5.731 -3.921 1.00 0.00 H new ATOM 800 N PHE A 53 2.226 -2.895 0.301 1.00 0.00 N ATOM 801 CA PHE A 53 2.936 -1.719 0.826 1.00 0.00 C ATOM 802 C PHE A 53 4.457 -1.968 0.814 1.00 0.00 C ATOM 803 O PHE A 53 5.232 -1.117 0.381 1.00 0.00 O ATOM 804 CB PHE A 53 2.451 -1.431 2.285 1.00 0.00 C ATOM 805 CG PHE A 53 3.467 -0.457 2.982 1.00 0.00 C ATOM 806 CD1 PHE A 53 3.516 0.902 2.607 1.00 0.00 C ATOM 807 CD2 PHE A 53 4.418 -0.951 3.939 1.00 0.00 C ATOM 808 CE1 PHE A 53 4.476 1.763 3.188 1.00 0.00 C ATOM 809 CE2 PHE A 53 5.376 -0.082 4.503 1.00 0.00 C ATOM 810 CZ PHE A 53 5.407 1.269 4.125 1.00 0.00 C ATOM 0 H PHE A 53 1.565 -3.309 0.958 1.00 0.00 H new ATOM 0 HA PHE A 53 2.721 -0.856 0.196 1.00 0.00 H new ATOM 0 HB2 PHE A 53 1.455 -0.988 2.270 1.00 0.00 H new ATOM 0 HB3 PHE A 53 2.377 -2.362 2.847 1.00 0.00 H new ATOM 0 HD1 PHE A 53 2.820 1.285 1.876 1.00 0.00 H new ATOM 0 HD2 PHE A 53 4.400 -1.992 4.228 1.00 0.00 H new ATOM 0 HE1 PHE A 53 4.496 2.807 2.912 1.00 0.00 H new ATOM 0 HE2 PHE A 53 6.086 -0.457 5.226 1.00 0.00 H new ATOM 0 HZ PHE A 53 6.145 1.932 4.552 1.00 0.00 H new ATOM 820 N ASN A 54 4.866 -3.144 1.329 1.00 0.00 N ATOM 821 CA ASN A 54 6.309 -3.500 1.413 1.00 0.00 C ATOM 822 C ASN A 54 6.949 -3.557 -0.001 1.00 0.00 C ATOM 823 O ASN A 54 8.056 -3.037 -0.227 1.00 0.00 O ATOM 824 CB ASN A 54 6.468 -4.890 2.132 1.00 0.00 C ATOM 825 CG ASN A 54 7.907 -5.069 2.662 1.00 0.00 C ATOM 826 OD1 ASN A 54 8.875 -4.796 1.945 1.00 0.00 O ATOM 827 ND2 ASN A 54 8.098 -5.507 3.878 1.00 0.00 N ATOM 0 H ASN A 54 4.234 -3.858 1.690 1.00 0.00 H new ATOM 0 HA ASN A 54 6.824 -2.731 1.989 1.00 0.00 H new ATOM 0 HB2 ASN A 54 5.760 -4.961 2.957 1.00 0.00 H new ATOM 0 HB3 ASN A 54 6.229 -5.694 1.436 1.00 0.00 H new ATOM 0 HD21 ASN A 54 9.046 -5.623 4.235 1.00 0.00 H new ATOM 0 HD22 ASN A 54 7.299 -5.732 4.470 1.00 0.00 H new ATOM 834 N GLU A 55 6.203 -4.181 -0.947 1.00 0.00 N ATOM 835 CA GLU A 55 6.630 -4.319 -2.366 1.00 0.00 C ATOM 836 C GLU A 55 6.603 -2.962 -3.074 1.00 0.00 C ATOM 837 O GLU A 55 7.454 -2.669 -3.919 1.00 0.00 O ATOM 838 CB GLU A 55 5.668 -5.339 -3.122 1.00 0.00 C ATOM 839 CG GLU A 55 5.873 -6.823 -2.596 1.00 0.00 C ATOM 840 CD GLU A 55 4.883 -7.811 -3.279 1.00 0.00 C ATOM 841 OE1 GLU A 55 3.711 -7.469 -3.387 1.00 0.00 O ATOM 842 OE2 GLU A 55 5.311 -8.889 -3.663 1.00 0.00 O ATOM 0 H GLU A 55 5.294 -4.601 -0.752 1.00 0.00 H new ATOM 0 HA GLU A 55 7.651 -4.700 -2.384 1.00 0.00 H new ATOM 0 HB2 GLU A 55 4.630 -5.039 -2.976 1.00 0.00 H new ATOM 0 HB3 GLU A 55 5.864 -5.300 -4.194 1.00 0.00 H new ATOM 0 HG2 GLU A 55 6.898 -7.141 -2.790 1.00 0.00 H new ATOM 0 HG3 GLU A 55 5.729 -6.851 -1.516 1.00 0.00 H new ATOM 849 N PHE A 56 5.576 -2.142 -2.751 1.00 0.00 N ATOM 850 CA PHE A 56 5.399 -0.822 -3.386 1.00 0.00 C ATOM 851 C PHE A 56 6.618 0.079 -3.096 1.00 0.00 C ATOM 852 O PHE A 56 7.175 0.687 -4.011 1.00 0.00 O ATOM 853 CB PHE A 56 4.092 -0.140 -2.830 1.00 0.00 C ATOM 854 CG PHE A 56 3.928 1.277 -3.484 1.00 0.00 C ATOM 855 CD1 PHE A 56 3.444 1.379 -4.815 1.00 0.00 C ATOM 856 CD2 PHE A 56 4.328 2.468 -2.791 1.00 0.00 C ATOM 857 CE1 PHE A 56 3.350 2.634 -5.444 1.00 0.00 C ATOM 858 CE2 PHE A 56 4.220 3.727 -3.432 1.00 0.00 C ATOM 859 CZ PHE A 56 3.738 3.806 -4.761 1.00 0.00 C ATOM 0 H PHE A 56 4.863 -2.372 -2.059 1.00 0.00 H new ATOM 0 HA PHE A 56 5.310 -0.957 -4.464 1.00 0.00 H new ATOM 0 HB2 PHE A 56 3.222 -0.759 -3.052 1.00 0.00 H new ATOM 0 HB3 PHE A 56 4.149 -0.048 -1.745 1.00 0.00 H new ATOM 0 HD1 PHE A 56 3.146 0.488 -5.348 1.00 0.00 H new ATOM 0 HD2 PHE A 56 4.711 2.405 -1.783 1.00 0.00 H new ATOM 0 HE1 PHE A 56 2.979 2.701 -6.456 1.00 0.00 H new ATOM 0 HE2 PHE A 56 4.505 4.627 -2.907 1.00 0.00 H new ATOM 0 HZ PHE A 56 3.667 4.765 -5.253 1.00 0.00 H new ATOM 869 N VAL A 57 7.019 0.144 -1.796 1.00 0.00 N ATOM 870 CA VAL A 57 8.194 0.965 -1.364 1.00 0.00 C ATOM 871 C VAL A 57 9.492 0.417 -2.001 1.00 0.00 C ATOM 872 O VAL A 57 10.321 1.184 -2.506 1.00 0.00 O ATOM 873 CB VAL A 57 8.319 0.931 0.236 1.00 0.00 C ATOM 874 CG1 VAL A 57 9.693 1.611 0.746 1.00 0.00 C ATOM 875 CG2 VAL A 57 7.065 1.664 0.893 1.00 0.00 C ATOM 0 H VAL A 57 6.556 -0.354 -1.036 1.00 0.00 H new ATOM 0 HA VAL A 57 8.047 1.993 -1.694 1.00 0.00 H new ATOM 0 HB VAL A 57 8.335 -0.113 0.547 1.00 0.00 H new ATOM 0 HG11 VAL A 57 9.738 1.567 1.834 1.00 0.00 H new ATOM 0 HG12 VAL A 57 10.543 1.074 0.325 1.00 0.00 H new ATOM 0 HG13 VAL A 57 9.726 2.651 0.423 1.00 0.00 H new ATOM 0 HG21 VAL A 57 7.156 1.637 1.979 1.00 0.00 H new ATOM 0 HG22 VAL A 57 7.032 2.700 0.557 1.00 0.00 H new ATOM 0 HG23 VAL A 57 6.148 1.156 0.593 1.00 0.00 H new ATOM 885 N ALA A 58 9.659 -0.939 -1.952 1.00 0.00 N ATOM 886 CA ALA A 58 10.866 -1.607 -2.506 1.00 0.00 C ATOM 887 C ALA A 58 10.947 -1.408 -4.047 1.00 0.00 C ATOM 888 O ALA A 58 12.026 -1.158 -4.591 1.00 0.00 O ATOM 889 CB ALA A 58 10.824 -3.139 -2.151 1.00 0.00 C ATOM 0 H ALA A 58 8.980 -1.578 -1.539 1.00 0.00 H new ATOM 0 HA ALA A 58 11.755 -1.159 -2.063 1.00 0.00 H new ATOM 0 HB1 ALA A 58 11.708 -3.631 -2.556 1.00 0.00 H new ATOM 0 HB2 ALA A 58 10.805 -3.261 -1.068 1.00 0.00 H new ATOM 0 HB3 ALA A 58 9.929 -3.588 -2.582 1.00 0.00 H new ATOM 895 N ALA A 59 9.769 -1.511 -4.720 1.00 0.00 N ATOM 896 CA ALA A 59 9.655 -1.331 -6.194 1.00 0.00 C ATOM 897 C ALA A 59 9.802 0.167 -6.599 1.00 0.00 C ATOM 898 O ALA A 59 10.478 0.496 -7.588 1.00 0.00 O ATOM 899 CB ALA A 59 8.251 -1.874 -6.667 1.00 0.00 C ATOM 0 H ALA A 59 8.881 -1.719 -4.263 1.00 0.00 H new ATOM 0 HA ALA A 59 10.460 -1.886 -6.676 1.00 0.00 H new ATOM 0 HB1 ALA A 59 8.156 -1.747 -7.745 1.00 0.00 H new ATOM 0 HB2 ALA A 59 8.167 -2.932 -6.417 1.00 0.00 H new ATOM 0 HB3 ALA A 59 7.458 -1.319 -6.165 1.00 0.00 H new ATOM 905 N ALA A 60 9.122 1.068 -5.819 1.00 0.00 N ATOM 906 CA ALA A 60 9.129 2.546 -6.084 1.00 0.00 C ATOM 907 C ALA A 60 10.524 3.127 -5.856 1.00 0.00 C ATOM 908 O ALA A 60 10.996 3.977 -6.624 1.00 0.00 O ATOM 909 CB ALA A 60 8.105 3.261 -5.118 1.00 0.00 C ATOM 0 H ALA A 60 8.566 0.798 -5.007 1.00 0.00 H new ATOM 0 HA ALA A 60 8.842 2.713 -7.122 1.00 0.00 H new ATOM 0 HB1 ALA A 60 8.111 4.334 -5.311 1.00 0.00 H new ATOM 0 HB2 ALA A 60 7.104 2.866 -5.292 1.00 0.00 H new ATOM 0 HB3 ALA A 60 8.392 3.077 -4.083 1.00 0.00 H new ATOM 915 N ARG A 61 11.174 2.667 -4.761 1.00 0.00 N ATOM 916 CA ARG A 61 12.534 3.134 -4.409 1.00 0.00 C ATOM 917 C ARG A 61 13.543 2.604 -5.429 1.00 0.00 C ATOM 918 O ARG A 61 14.475 3.313 -5.828 1.00 0.00 O ATOM 919 CB ARG A 61 12.896 2.684 -2.939 1.00 0.00 C ATOM 920 CG ARG A 61 14.320 3.234 -2.491 1.00 0.00 C ATOM 921 CD ARG A 61 14.634 2.846 -1.015 1.00 0.00 C ATOM 922 NE ARG A 61 15.964 3.376 -0.641 1.00 0.00 N ATOM 923 CZ ARG A 61 16.459 3.256 0.595 1.00 0.00 C ATOM 924 NH1 ARG A 61 15.766 2.645 1.518 1.00 0.00 N ATOM 925 NH2 ARG A 61 17.632 3.753 0.867 1.00 0.00 N ATOM 0 H ARG A 61 10.784 1.982 -4.114 1.00 0.00 H new ATOM 0 HA ARG A 61 12.568 4.223 -4.439 1.00 0.00 H new ATOM 0 HB2 ARG A 61 12.133 3.045 -2.249 1.00 0.00 H new ATOM 0 HB3 ARG A 61 12.891 1.596 -2.880 1.00 0.00 H new ATOM 0 HG2 ARG A 61 15.091 2.832 -3.148 1.00 0.00 H new ATOM 0 HG3 ARG A 61 14.344 4.318 -2.598 1.00 0.00 H new ATOM 0 HD2 ARG A 61 13.870 3.249 -0.351 1.00 0.00 H new ATOM 0 HD3 ARG A 61 14.617 1.762 -0.900 1.00 0.00 H new ATOM 0 HE ARG A 61 16.523 3.849 -1.351 1.00 0.00 H new ATOM 0 HH11 ARG A 61 14.848 2.260 1.295 1.00 0.00 H new ATOM 0 HH12 ARG A 61 16.143 2.553 2.461 1.00 0.00 H new ATOM 0 HH21 ARG A 61 18.165 4.229 0.140 1.00 0.00 H new ATOM 0 HH22 ARG A 61 18.017 3.666 1.807 1.00 0.00 H new