USER MOD reduce.3.24.130724 H: found=0, std=0, add=1146, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 1144 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 108 ASN : amide:sc= -0.724 K(o=-2.9,f=-4.1!) USER MOD Set 1.2: A 111 GLN : amide:sc= -2.17 K(o=-2.9,f=-12!) USER MOD Set 2.1: A 103 GLN : amide:sc= -0.122 X(o=-0.52,f=-0.56) USER MOD Set 2.2: A 106 GLN : amide:sc= -0.397 K(o=-0.52,f=-5.1!) USER MOD Set 3.1: A 34 HIS : no HD1:sc= 0.481 K(o=1.8,f=-4.6!) USER MOD Set 3.2: A 143 SER OG : rot -96:sc= 1.29 USER MOD Single : A 1 MET CE :methyl -110:sc=-0.00236 (180deg=-0.182) USER MOD Single : A 1 MET N :NH3+ 157:sc= -0.25 (180deg=-1.46) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= -0.463 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 ASN : amide:sc= -0.0173 K(o=-0.017,f=-1.7!) USER MOD Single : A 27 THR OG1 : rot 53:sc= 0.0207 USER MOD Single : A 28 SER OG : rot -71:sc= 1.27 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0.019 USER MOD Single : A 48 MET CE :methyl 155:sc= -0.134 (180deg=-0.978) USER MOD Single : A 52 HIS :FLIP no HD1:sc= -0.0396 F(o=-0.78,f=-0.04) USER MOD Single : A 53 ASN : amide:sc= -1.08 K(o=-1.1,f=-3!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 MET CE :methyl 166:sc= -0.983 (180deg=-1.89) USER MOD Single : A 58 ASN : amide:sc= -0.291 K(o=-0.29,f=-2.9!) USER MOD Single : A 59 THR OG1 : rot 180:sc= -1.46! USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 63 ASN : amide:sc= -4.23! C(o=-4.2!,f=-9.3!) USER MOD Single : A 68 TYR OH : rot 80:sc= -0.209 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot 180:sc= -2.68! USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 ASN : amide:sc= -0.0178 K(o=-0.018,f=-1.5!) USER MOD Single : A 89 SER OG : rot 180:sc= -1.01 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0.016 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0.051 USER MOD Single : A 98 ASN : amide:sc= -0.114 K(o=-0.11,f=-2!) USER MOD Single : A 101 GLN : amide:sc=-0.00181 K(o=-0.0018,f=-1.9!) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 LYS NZ :NH3+ -144:sc= -1.15 (180deg=-2.64!) USER MOD Single : A 119 LYS NZ :NH3+ 162:sc= 0 (180deg=-0.467) USER MOD Single : A 122 MET CE :methyl 138:sc= -0.271 (180deg=-1.26!) USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 TYR OH : rot 180:sc= 0 USER MOD Single : A 131 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 132 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 140 ASN : amide:sc= -9.01! C(o=-9!,f=-20!) USER MOD Single : A 141 THR OG1 : rot 180:sc= 0.0169 USER MOD Single : A 144 LYS NZ :NH3+ -106:sc= 0.484 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 109.833 8.656 -13.305 1.00 0.00 N ATOM 2 CA MET A 1 108.673 9.493 -12.873 1.00 0.00 C ATOM 3 C MET A 1 107.546 9.418 -13.913 1.00 0.00 C ATOM 4 O MET A 1 106.665 10.255 -13.947 1.00 0.00 O ATOM 5 CB MET A 1 109.229 10.915 -12.783 1.00 0.00 C ATOM 6 CG MET A 1 109.787 11.327 -14.147 1.00 0.00 C ATOM 7 SD MET A 1 110.276 13.069 -14.103 1.00 0.00 S ATOM 8 CE MET A 1 108.628 13.775 -14.349 1.00 0.00 C ATOM 0 H1 MET A 1 110.699 8.997 -12.841 1.00 0.00 H new ATOM 0 H2 MET A 1 109.664 7.665 -13.039 1.00 0.00 H new ATOM 0 H3 MET A 1 109.944 8.723 -14.337 1.00 0.00 H new ATOM 0 HA MET A 1 108.250 9.158 -11.926 1.00 0.00 H new ATOM 0 HB2 MET A 1 108.444 11.606 -12.475 1.00 0.00 H new ATOM 0 HB3 MET A 1 110.012 10.964 -12.027 1.00 0.00 H new ATOM 0 HG2 MET A 1 110.644 10.705 -14.403 1.00 0.00 H new ATOM 0 HG3 MET A 1 109.036 11.169 -14.921 1.00 0.00 H new ATOM 0 HE1 MET A 1 108.570 14.226 -15.340 1.00 0.00 H new ATOM 0 HE2 MET A 1 107.879 12.988 -14.264 1.00 0.00 H new ATOM 0 HE3 MET A 1 108.442 14.537 -13.592 1.00 0.00 H new ATOM 20 N SER A 2 107.569 8.424 -14.762 1.00 0.00 N ATOM 21 CA SER A 2 106.507 8.290 -15.800 1.00 0.00 C ATOM 22 C SER A 2 105.135 8.073 -15.152 1.00 0.00 C ATOM 23 O SER A 2 104.150 8.662 -15.550 1.00 0.00 O ATOM 24 CB SER A 2 106.915 7.060 -16.608 1.00 0.00 C ATOM 25 OG SER A 2 105.973 6.845 -17.647 1.00 0.00 O ATOM 0 H SER A 2 108.283 7.695 -14.780 1.00 0.00 H new ATOM 0 HA SER A 2 106.419 9.185 -16.416 1.00 0.00 H new ATOM 0 HB2 SER A 2 107.911 7.201 -17.028 1.00 0.00 H new ATOM 0 HB3 SER A 2 106.964 6.185 -15.960 1.00 0.00 H new ATOM 0 HG SER A 2 106.234 6.057 -18.167 1.00 0.00 H new ATOM 31 N LYS A 3 105.064 7.224 -14.162 1.00 0.00 N ATOM 32 CA LYS A 3 103.756 6.957 -13.493 1.00 0.00 C ATOM 33 C LYS A 3 103.879 7.169 -11.981 1.00 0.00 C ATOM 34 O LYS A 3 104.736 6.603 -11.333 1.00 0.00 O ATOM 35 CB LYS A 3 103.457 5.487 -13.803 1.00 0.00 C ATOM 36 CG LYS A 3 102.139 5.080 -13.143 1.00 0.00 C ATOM 37 CD LYS A 3 101.837 3.614 -13.464 1.00 0.00 C ATOM 38 CE LYS A 3 100.503 3.216 -12.828 1.00 0.00 C ATOM 39 NZ LYS A 3 100.291 1.790 -13.218 1.00 0.00 N1+ ATOM 0 H LYS A 3 105.856 6.703 -13.787 1.00 0.00 H new ATOM 0 HA LYS A 3 102.967 7.623 -13.842 1.00 0.00 H new ATOM 0 HB2 LYS A 3 103.397 5.337 -14.881 1.00 0.00 H new ATOM 0 HB3 LYS A 3 104.268 4.856 -13.439 1.00 0.00 H new ATOM 0 HG2 LYS A 3 102.202 5.221 -12.064 1.00 0.00 H new ATOM 0 HG3 LYS A 3 101.329 5.716 -13.501 1.00 0.00 H new ATOM 0 HD2 LYS A 3 101.795 3.468 -14.543 1.00 0.00 H new ATOM 0 HD3 LYS A 3 102.636 2.976 -13.087 1.00 0.00 H new ATOM 0 HE2 LYS A 3 100.535 3.327 -11.744 1.00 0.00 H new ATOM 0 HE3 LYS A 3 99.691 3.847 -13.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 99.394 1.450 -12.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 100.257 1.715 -14.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 101.075 1.211 -12.855 1.00 0.00 H new ATOM 53 N ILE A 4 103.027 7.979 -11.411 1.00 0.00 N ATOM 54 CA ILE A 4 103.101 8.224 -9.941 1.00 0.00 C ATOM 55 C ILE A 4 101.794 7.802 -9.268 1.00 0.00 C ATOM 56 O ILE A 4 100.716 8.148 -9.710 1.00 0.00 O ATOM 57 CB ILE A 4 103.314 9.727 -9.793 1.00 0.00 C ATOM 58 CG1 ILE A 4 104.638 10.119 -10.451 1.00 0.00 C ATOM 59 CG2 ILE A 4 103.358 10.094 -8.308 1.00 0.00 C ATOM 60 CD1 ILE A 4 104.746 11.643 -10.505 1.00 0.00 C ATOM 0 H ILE A 4 102.285 8.481 -11.898 1.00 0.00 H new ATOM 0 HA ILE A 4 103.902 7.653 -9.472 1.00 0.00 H new ATOM 0 HB ILE A 4 102.494 10.259 -10.275 1.00 0.00 H new ATOM 0 HG12 ILE A 4 105.474 9.704 -9.888 1.00 0.00 H new ATOM 0 HG13 ILE A 4 104.694 9.703 -11.457 1.00 0.00 H new ATOM 0 HG21 ILE A 4 103.510 11.168 -8.203 1.00 0.00 H new ATOM 0 HG22 ILE A 4 102.417 9.813 -7.836 1.00 0.00 H new ATOM 0 HG23 ILE A 4 104.179 9.562 -7.826 1.00 0.00 H new ATOM 0 HD11 ILE A 4 105.689 11.925 -10.974 1.00 0.00 H new ATOM 0 HD12 ILE A 4 103.917 12.046 -11.087 1.00 0.00 H new ATOM 0 HD13 ILE A 4 104.709 12.046 -9.493 1.00 0.00 H new ATOM 72 N GLU A 5 101.879 7.056 -8.202 1.00 0.00 N ATOM 73 CA GLU A 5 100.639 6.618 -7.507 1.00 0.00 C ATOM 74 C GLU A 5 100.390 7.466 -6.261 1.00 0.00 C ATOM 75 O GLU A 5 100.221 6.954 -5.172 1.00 0.00 O ATOM 76 CB GLU A 5 100.882 5.159 -7.133 1.00 0.00 C ATOM 77 CG GLU A 5 100.882 4.305 -8.405 1.00 0.00 C ATOM 78 CD GLU A 5 101.212 2.846 -8.063 1.00 0.00 C ATOM 79 OE1 GLU A 5 101.476 2.566 -6.903 1.00 0.00 O ATOM 80 OE2 GLU A 5 101.190 2.031 -8.970 1.00 0.00 O1- ATOM 0 H GLU A 5 102.751 6.732 -7.784 1.00 0.00 H new ATOM 0 HA GLU A 5 99.757 6.731 -8.138 1.00 0.00 H new ATOM 0 HB2 GLU A 5 101.835 5.058 -6.613 1.00 0.00 H new ATOM 0 HB3 GLU A 5 100.108 4.813 -6.449 1.00 0.00 H new ATOM 0 HG2 GLU A 5 99.907 4.361 -8.890 1.00 0.00 H new ATOM 0 HG3 GLU A 5 101.613 4.695 -9.113 1.00 0.00 H new ATOM 87 N GLU A 6 100.342 8.765 -6.418 1.00 0.00 N ATOM 88 CA GLU A 6 100.075 9.663 -5.250 1.00 0.00 C ATOM 89 C GLU A 6 101.085 9.393 -4.130 1.00 0.00 C ATOM 90 O GLU A 6 100.848 9.680 -2.975 1.00 0.00 O ATOM 91 CB GLU A 6 98.651 9.301 -4.815 1.00 0.00 C ATOM 92 CG GLU A 6 98.149 10.277 -3.752 1.00 0.00 C ATOM 93 CD GLU A 6 96.675 9.988 -3.448 1.00 0.00 C ATOM 94 OE1 GLU A 6 96.204 8.921 -3.819 1.00 0.00 O ATOM 95 OE2 GLU A 6 96.039 10.841 -2.855 1.00 0.00 O1- ATOM 0 H GLU A 6 100.477 9.245 -7.308 1.00 0.00 H new ATOM 0 HA GLU A 6 100.171 10.721 -5.495 1.00 0.00 H new ATOM 0 HB2 GLU A 6 97.985 9.321 -5.678 1.00 0.00 H new ATOM 0 HB3 GLU A 6 98.632 8.285 -4.421 1.00 0.00 H new ATOM 0 HG2 GLU A 6 98.744 10.180 -2.844 1.00 0.00 H new ATOM 0 HG3 GLU A 6 98.265 11.303 -4.101 1.00 0.00 H new ATOM 102 N PHE A 7 102.216 8.850 -4.466 1.00 0.00 N ATOM 103 CA PHE A 7 103.243 8.568 -3.428 1.00 0.00 C ATOM 104 C PHE A 7 103.977 9.862 -3.055 1.00 0.00 C ATOM 105 O PHE A 7 103.688 10.487 -2.055 1.00 0.00 O ATOM 106 CB PHE A 7 104.180 7.570 -4.111 1.00 0.00 C ATOM 107 CG PHE A 7 105.417 7.345 -3.272 1.00 0.00 C ATOM 108 CD1 PHE A 7 105.300 6.910 -1.947 1.00 0.00 C ATOM 109 CD2 PHE A 7 106.682 7.566 -3.828 1.00 0.00 C ATOM 110 CE1 PHE A 7 106.450 6.696 -1.178 1.00 0.00 C ATOM 111 CE2 PHE A 7 107.831 7.353 -3.059 1.00 0.00 C ATOM 112 CZ PHE A 7 107.715 6.917 -1.734 1.00 0.00 C ATOM 0 H PHE A 7 102.476 8.588 -5.417 1.00 0.00 H new ATOM 0 HA PHE A 7 102.830 8.175 -2.499 1.00 0.00 H new ATOM 0 HB2 PHE A 7 103.662 6.624 -4.267 1.00 0.00 H new ATOM 0 HB3 PHE A 7 104.464 7.943 -5.095 1.00 0.00 H new ATOM 0 HD1 PHE A 7 104.324 6.740 -1.518 1.00 0.00 H new ATOM 0 HD2 PHE A 7 106.771 7.901 -4.851 1.00 0.00 H new ATOM 0 HE1 PHE A 7 106.361 6.360 -0.155 1.00 0.00 H new ATOM 0 HE2 PHE A 7 108.807 7.525 -3.488 1.00 0.00 H new ATOM 0 HZ PHE A 7 108.602 6.751 -1.141 1.00 0.00 H new ATOM 122 N LEU A 8 104.925 10.265 -3.855 1.00 0.00 N ATOM 123 CA LEU A 8 105.674 11.517 -3.550 1.00 0.00 C ATOM 124 C LEU A 8 105.764 12.399 -4.801 1.00 0.00 C ATOM 125 O LEU A 8 105.777 11.910 -5.915 1.00 0.00 O ATOM 126 CB LEU A 8 107.072 11.062 -3.120 1.00 0.00 C ATOM 127 CG LEU A 8 106.999 10.254 -1.823 1.00 0.00 C ATOM 128 CD1 LEU A 8 108.407 9.791 -1.442 1.00 0.00 C ATOM 129 CD2 LEU A 8 106.436 11.124 -0.699 1.00 0.00 C ATOM 0 H LEU A 8 105.213 9.782 -4.706 1.00 0.00 H new ATOM 0 HA LEU A 8 105.183 12.106 -2.775 1.00 0.00 H new ATOM 0 HB2 LEU A 8 107.522 10.457 -3.907 1.00 0.00 H new ATOM 0 HB3 LEU A 8 107.716 11.930 -2.978 1.00 0.00 H new ATOM 0 HG LEU A 8 106.349 9.392 -1.971 1.00 0.00 H new ATOM 0 HD11 LEU A 8 108.363 9.214 -0.518 1.00 0.00 H new ATOM 0 HD12 LEU A 8 108.814 9.169 -2.239 1.00 0.00 H new ATOM 0 HD13 LEU A 8 109.049 10.660 -1.297 1.00 0.00 H new ATOM 0 HD21 LEU A 8 106.387 10.542 0.221 1.00 0.00 H new ATOM 0 HD22 LEU A 8 107.084 11.988 -0.548 1.00 0.00 H new ATOM 0 HD23 LEU A 8 105.436 11.463 -0.968 1.00 0.00 H new ATOM 141 N THR A 9 105.837 13.691 -4.631 1.00 0.00 N ATOM 142 CA THR A 9 105.943 14.594 -5.818 1.00 0.00 C ATOM 143 C THR A 9 107.380 14.576 -6.343 1.00 0.00 C ATOM 144 O THR A 9 108.266 14.046 -5.707 1.00 0.00 O ATOM 145 CB THR A 9 105.585 15.991 -5.303 1.00 0.00 C ATOM 146 OG1 THR A 9 106.557 16.406 -4.354 1.00 0.00 O ATOM 147 CG2 THR A 9 104.207 15.959 -4.643 1.00 0.00 C ATOM 0 H THR A 9 105.828 14.161 -3.726 1.00 0.00 H new ATOM 0 HA THR A 9 105.287 14.287 -6.632 1.00 0.00 H new ATOM 0 HB THR A 9 105.567 16.692 -6.138 1.00 0.00 H new ATOM 0 HG1 THR A 9 106.331 17.301 -4.024 1.00 0.00 H new ATOM 0 HG21 THR A 9 103.955 16.955 -4.278 1.00 0.00 H new ATOM 0 HG22 THR A 9 103.462 15.641 -5.372 1.00 0.00 H new ATOM 0 HG23 THR A 9 104.220 15.259 -3.808 1.00 0.00 H new ATOM 155 N ALA A 10 107.630 15.145 -7.494 1.00 0.00 N ATOM 156 CA ALA A 10 109.027 15.143 -8.030 1.00 0.00 C ATOM 157 C ALA A 10 109.971 15.744 -6.990 1.00 0.00 C ATOM 158 O ALA A 10 111.062 15.264 -6.774 1.00 0.00 O ATOM 159 CB ALA A 10 108.985 16.019 -9.281 1.00 0.00 C ATOM 0 H ALA A 10 106.936 15.607 -8.082 1.00 0.00 H new ATOM 0 HA ALA A 10 109.383 14.138 -8.258 1.00 0.00 H new ATOM 0 HB1 ALA A 10 109.978 16.063 -9.728 1.00 0.00 H new ATOM 0 HB2 ALA A 10 108.283 15.595 -9.999 1.00 0.00 H new ATOM 0 HB3 ALA A 10 108.664 17.025 -9.010 1.00 0.00 H new ATOM 165 N GLU A 11 109.539 16.773 -6.325 1.00 0.00 N ATOM 166 CA GLU A 11 110.390 17.389 -5.274 1.00 0.00 C ATOM 167 C GLU A 11 110.638 16.374 -4.158 1.00 0.00 C ATOM 168 O GLU A 11 111.730 16.269 -3.630 1.00 0.00 O ATOM 169 CB GLU A 11 109.574 18.571 -4.750 1.00 0.00 C ATOM 170 CG GLU A 11 109.394 19.600 -5.870 1.00 0.00 C ATOM 171 CD GLU A 11 110.765 20.108 -6.323 1.00 0.00 C ATOM 172 OE1 GLU A 11 111.714 19.951 -5.572 1.00 0.00 O ATOM 173 OE2 GLU A 11 110.844 20.640 -7.419 1.00 0.00 O1- ATOM 0 H GLU A 11 108.631 17.216 -6.463 1.00 0.00 H new ATOM 0 HA GLU A 11 111.363 17.704 -5.651 1.00 0.00 H new ATOM 0 HB2 GLU A 11 108.602 18.228 -4.396 1.00 0.00 H new ATOM 0 HB3 GLU A 11 110.080 19.028 -3.899 1.00 0.00 H new ATOM 0 HG2 GLU A 11 108.866 19.150 -6.710 1.00 0.00 H new ATOM 0 HG3 GLU A 11 108.784 20.432 -5.519 1.00 0.00 H new ATOM 180 N GLU A 12 109.637 15.618 -3.794 1.00 0.00 N ATOM 181 CA GLU A 12 109.823 14.609 -2.715 1.00 0.00 C ATOM 182 C GLU A 12 110.645 13.415 -3.224 1.00 0.00 C ATOM 183 O GLU A 12 111.579 12.977 -2.582 1.00 0.00 O ATOM 184 CB GLU A 12 108.405 14.190 -2.332 1.00 0.00 C ATOM 185 CG GLU A 12 107.696 15.377 -1.668 1.00 0.00 C ATOM 186 CD GLU A 12 106.249 15.006 -1.322 1.00 0.00 C ATOM 187 OE1 GLU A 12 105.860 13.878 -1.583 1.00 0.00 O ATOM 188 OE2 GLU A 12 105.552 15.860 -0.801 1.00 0.00 O1- ATOM 0 H GLU A 12 108.701 15.656 -4.197 1.00 0.00 H new ATOM 0 HA GLU A 12 110.373 15.005 -1.861 1.00 0.00 H new ATOM 0 HB2 GLU A 12 107.855 13.870 -3.217 1.00 0.00 H new ATOM 0 HB3 GLU A 12 108.435 13.340 -1.650 1.00 0.00 H new ATOM 0 HG2 GLU A 12 108.230 15.669 -0.764 1.00 0.00 H new ATOM 0 HG3 GLU A 12 107.708 16.237 -2.337 1.00 0.00 H new ATOM 195 N GLU A 13 110.318 12.898 -4.380 1.00 0.00 N ATOM 196 CA GLU A 13 111.092 11.750 -4.943 1.00 0.00 C ATOM 197 C GLU A 13 112.509 12.192 -5.300 1.00 0.00 C ATOM 198 O GLU A 13 113.447 11.436 -5.193 1.00 0.00 O ATOM 199 CB GLU A 13 110.340 11.342 -6.209 1.00 0.00 C ATOM 200 CG GLU A 13 108.982 10.751 -5.828 1.00 0.00 C ATOM 201 CD GLU A 13 108.174 10.422 -7.090 1.00 0.00 C ATOM 202 OE1 GLU A 13 108.693 10.614 -8.180 1.00 0.00 O1- ATOM 203 OE2 GLU A 13 107.046 9.984 -6.945 1.00 0.00 O ATOM 0 H GLU A 13 109.545 13.223 -4.961 1.00 0.00 H new ATOM 0 HA GLU A 13 111.177 10.929 -4.231 1.00 0.00 H new ATOM 0 HB2 GLU A 13 110.203 12.207 -6.858 1.00 0.00 H new ATOM 0 HB3 GLU A 13 110.922 10.611 -6.771 1.00 0.00 H new ATOM 0 HG2 GLU A 13 109.124 9.849 -5.233 1.00 0.00 H new ATOM 0 HG3 GLU A 13 108.430 11.458 -5.208 1.00 0.00 H new ATOM 210 N LYS A 14 112.678 13.403 -5.744 1.00 0.00 N ATOM 211 CA LYS A 14 114.044 13.863 -6.114 1.00 0.00 C ATOM 212 C LYS A 14 114.943 13.897 -4.871 1.00 0.00 C ATOM 213 O LYS A 14 116.078 13.464 -4.903 1.00 0.00 O ATOM 214 CB LYS A 14 113.857 15.262 -6.692 1.00 0.00 C ATOM 215 CG LYS A 14 115.191 15.753 -7.251 1.00 0.00 C ATOM 216 CD LYS A 14 115.005 17.122 -7.903 1.00 0.00 C ATOM 217 CE LYS A 14 116.342 17.589 -8.482 1.00 0.00 C ATOM 218 NZ LYS A 14 116.069 18.933 -9.060 1.00 0.00 N1+ ATOM 0 H LYS A 14 111.935 14.091 -5.867 1.00 0.00 H new ATOM 0 HA LYS A 14 114.524 13.198 -6.832 1.00 0.00 H new ATOM 0 HB2 LYS A 14 113.102 15.246 -7.478 1.00 0.00 H new ATOM 0 HB3 LYS A 14 113.499 15.943 -5.920 1.00 0.00 H new ATOM 0 HG2 LYS A 14 115.929 15.818 -6.452 1.00 0.00 H new ATOM 0 HG3 LYS A 14 115.574 15.041 -7.982 1.00 0.00 H new ATOM 0 HD2 LYS A 14 114.254 17.064 -8.691 1.00 0.00 H new ATOM 0 HD3 LYS A 14 114.642 17.841 -7.169 1.00 0.00 H new ATOM 0 HE2 LYS A 14 117.109 17.641 -7.709 1.00 0.00 H new ATOM 0 HE3 LYS A 14 116.704 16.899 -9.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 116.942 19.316 -9.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 115.341 18.852 -9.798 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 115.733 19.571 -8.311 1.00 0.00 H new ATOM 232 N ALA A 15 114.448 14.418 -3.777 1.00 0.00 N ATOM 233 CA ALA A 15 115.282 14.489 -2.538 1.00 0.00 C ATOM 234 C ALA A 15 115.621 13.085 -2.008 1.00 0.00 C ATOM 235 O ALA A 15 116.758 12.801 -1.678 1.00 0.00 O ATOM 236 CB ALA A 15 114.430 15.259 -1.529 1.00 0.00 C ATOM 0 H ALA A 15 113.505 14.796 -3.688 1.00 0.00 H new ATOM 0 HA ALA A 15 116.238 14.977 -2.726 1.00 0.00 H new ATOM 0 HB1 ALA A 15 114.975 15.353 -0.590 1.00 0.00 H new ATOM 0 HB2 ALA A 15 114.209 16.252 -1.922 1.00 0.00 H new ATOM 0 HB3 ALA A 15 113.498 14.722 -1.355 1.00 0.00 H new ATOM 242 N ILE A 16 114.657 12.204 -1.916 1.00 0.00 N ATOM 243 CA ILE A 16 114.953 10.833 -1.395 1.00 0.00 C ATOM 244 C ILE A 16 115.916 10.104 -2.341 1.00 0.00 C ATOM 245 O ILE A 16 116.797 9.383 -1.913 1.00 0.00 O ATOM 246 CB ILE A 16 113.593 10.130 -1.309 1.00 0.00 C ATOM 247 CG1 ILE A 16 113.757 8.766 -0.641 1.00 0.00 C ATOM 248 CG2 ILE A 16 113.012 9.952 -2.703 1.00 0.00 C ATOM 249 CD1 ILE A 16 112.378 8.185 -0.320 1.00 0.00 C ATOM 0 H ILE A 16 113.685 12.372 -2.177 1.00 0.00 H new ATOM 0 HA ILE A 16 115.443 10.852 -0.421 1.00 0.00 H new ATOM 0 HB ILE A 16 112.914 10.742 -0.715 1.00 0.00 H new ATOM 0 HG12 ILE A 16 114.304 8.090 -1.299 1.00 0.00 H new ATOM 0 HG13 ILE A 16 114.343 8.865 0.273 1.00 0.00 H new ATOM 0 HG21 ILE A 16 112.046 9.452 -2.633 1.00 0.00 H new ATOM 0 HG22 ILE A 16 112.882 10.928 -3.171 1.00 0.00 H new ATOM 0 HG23 ILE A 16 113.691 9.348 -3.306 1.00 0.00 H new ATOM 0 HD11 ILE A 16 112.495 7.212 0.157 1.00 0.00 H new ATOM 0 HD12 ILE A 16 111.848 8.858 0.354 1.00 0.00 H new ATOM 0 HD13 ILE A 16 111.808 8.071 -1.242 1.00 0.00 H new ATOM 261 N VAL A 17 115.781 10.317 -3.622 1.00 0.00 N ATOM 262 CA VAL A 17 116.717 9.671 -4.588 1.00 0.00 C ATOM 263 C VAL A 17 118.135 10.162 -4.283 1.00 0.00 C ATOM 264 O VAL A 17 119.094 9.420 -4.359 1.00 0.00 O ATOM 265 CB VAL A 17 116.256 10.146 -5.973 1.00 0.00 C ATOM 266 CG1 VAL A 17 117.273 9.741 -7.045 1.00 0.00 C ATOM 267 CG2 VAL A 17 114.907 9.507 -6.303 1.00 0.00 C ATOM 0 H VAL A 17 115.064 10.909 -4.041 1.00 0.00 H new ATOM 0 HA VAL A 17 116.719 8.582 -4.531 1.00 0.00 H new ATOM 0 HB VAL A 17 116.167 11.232 -5.958 1.00 0.00 H new ATOM 0 HG11 VAL A 17 116.930 10.086 -8.021 1.00 0.00 H new ATOM 0 HG12 VAL A 17 118.239 10.193 -6.819 1.00 0.00 H new ATOM 0 HG13 VAL A 17 117.374 8.656 -7.059 1.00 0.00 H new ATOM 0 HG21 VAL A 17 114.576 9.842 -7.286 1.00 0.00 H new ATOM 0 HG22 VAL A 17 115.009 8.422 -6.305 1.00 0.00 H new ATOM 0 HG23 VAL A 17 114.172 9.801 -5.553 1.00 0.00 H new ATOM 277 N ASP A 18 118.265 11.412 -3.942 1.00 0.00 N ATOM 278 CA ASP A 18 119.619 11.953 -3.636 1.00 0.00 C ATOM 279 C ASP A 18 120.188 11.255 -2.398 1.00 0.00 C ATOM 280 O ASP A 18 121.371 10.987 -2.317 1.00 0.00 O ATOM 281 CB ASP A 18 119.425 13.451 -3.398 1.00 0.00 C ATOM 282 CG ASP A 18 120.781 14.161 -3.429 1.00 0.00 C ATOM 283 OD1 ASP A 18 121.730 13.571 -3.925 1.00 0.00 O ATOM 284 OD2 ASP A 18 120.848 15.284 -2.960 1.00 0.00 O1- ATOM 0 H ASP A 18 117.498 12.080 -3.862 1.00 0.00 H new ATOM 0 HA ASP A 18 120.328 11.782 -4.446 1.00 0.00 H new ATOM 0 HB2 ASP A 18 118.768 13.868 -4.162 1.00 0.00 H new ATOM 0 HB3 ASP A 18 118.940 13.616 -2.436 1.00 0.00 H new ATOM 289 N ALA A 19 119.358 10.941 -1.438 1.00 0.00 N ATOM 290 CA ALA A 19 119.867 10.243 -0.221 1.00 0.00 C ATOM 291 C ALA A 19 120.452 8.885 -0.616 1.00 0.00 C ATOM 292 O ALA A 19 121.475 8.465 -0.114 1.00 0.00 O ATOM 293 CB ALA A 19 118.644 10.058 0.676 1.00 0.00 C ATOM 0 H ALA A 19 118.357 11.136 -1.443 1.00 0.00 H new ATOM 0 HA ALA A 19 120.654 10.804 0.283 1.00 0.00 H new ATOM 0 HB1 ALA A 19 118.940 9.550 1.594 1.00 0.00 H new ATOM 0 HB2 ALA A 19 118.222 11.033 0.921 1.00 0.00 H new ATOM 0 HB3 ALA A 19 117.897 9.460 0.154 1.00 0.00 H new ATOM 299 N ILE A 20 119.809 8.198 -1.521 1.00 0.00 N ATOM 300 CA ILE A 20 120.327 6.870 -1.958 1.00 0.00 C ATOM 301 C ILE A 20 121.697 7.051 -2.621 1.00 0.00 C ATOM 302 O ILE A 20 122.631 6.309 -2.375 1.00 0.00 O ATOM 303 CB ILE A 20 119.290 6.362 -2.965 1.00 0.00 C ATOM 304 CG1 ILE A 20 117.975 6.071 -2.237 1.00 0.00 C ATOM 305 CG2 ILE A 20 119.793 5.081 -3.636 1.00 0.00 C ATOM 306 CD1 ILE A 20 116.898 5.684 -3.253 1.00 0.00 C ATOM 0 H ILE A 20 118.947 8.499 -1.977 1.00 0.00 H new ATOM 0 HA ILE A 20 120.462 6.169 -1.134 1.00 0.00 H new ATOM 0 HB ILE A 20 119.129 7.125 -3.727 1.00 0.00 H new ATOM 0 HG12 ILE A 20 118.117 5.264 -1.518 1.00 0.00 H new ATOM 0 HG13 ILE A 20 117.658 6.948 -1.673 1.00 0.00 H new ATOM 0 HG21 ILE A 20 119.049 4.728 -4.350 1.00 0.00 H new ATOM 0 HG22 ILE A 20 120.728 5.286 -4.158 1.00 0.00 H new ATOM 0 HG23 ILE A 20 119.961 4.315 -2.879 1.00 0.00 H new ATOM 0 HD11 ILE A 20 115.963 5.478 -2.732 1.00 0.00 H new ATOM 0 HD12 ILE A 20 116.748 6.504 -3.955 1.00 0.00 H new ATOM 0 HD13 ILE A 20 117.214 4.794 -3.797 1.00 0.00 H new ATOM 318 N ARG A 21 121.819 8.044 -3.457 1.00 0.00 N ATOM 319 CA ARG A 21 123.116 8.301 -4.144 1.00 0.00 C ATOM 320 C ARG A 21 124.214 8.630 -3.124 1.00 0.00 C ATOM 321 O ARG A 21 125.330 8.159 -3.226 1.00 0.00 O ATOM 322 CB ARG A 21 122.839 9.519 -5.029 1.00 0.00 C ATOM 323 CG ARG A 21 121.929 9.115 -6.194 1.00 0.00 C ATOM 324 CD ARG A 21 121.612 10.348 -7.047 1.00 0.00 C ATOM 325 NE ARG A 21 120.742 9.846 -8.149 1.00 0.00 N ATOM 326 CZ ARG A 21 120.557 10.572 -9.220 1.00 0.00 C ATOM 327 NH1 ARG A 21 119.607 11.467 -9.251 1.00 0.00 N1+ ATOM 328 NH2 ARG A 21 121.322 10.399 -10.265 1.00 0.00 N ATOM 0 H ARG A 21 121.070 8.694 -3.696 1.00 0.00 H new ATOM 0 HA ARG A 21 123.463 7.436 -4.710 1.00 0.00 H new ATOM 0 HB2 ARG A 21 122.367 10.307 -4.442 1.00 0.00 H new ATOM 0 HB3 ARG A 21 123.776 9.924 -5.411 1.00 0.00 H new ATOM 0 HG2 ARG A 21 122.417 8.354 -6.803 1.00 0.00 H new ATOM 0 HG3 ARG A 21 121.007 8.676 -5.814 1.00 0.00 H new ATOM 0 HD2 ARG A 21 121.103 11.113 -6.460 1.00 0.00 H new ATOM 0 HD3 ARG A 21 122.523 10.801 -7.439 1.00 0.00 H new ATOM 0 HE ARG A 21 120.291 8.935 -8.067 1.00 0.00 H new ATOM 0 HH11 ARG A 21 119.006 11.601 -8.438 1.00 0.00 H new ATOM 0 HH12 ARG A 21 119.466 12.032 -10.089 1.00 0.00 H new ATOM 0 HH21 ARG A 21 122.063 9.698 -10.244 1.00 0.00 H new ATOM 0 HH22 ARG A 21 121.179 10.965 -11.101 1.00 0.00 H new ATOM 342 N ASP A 22 123.912 9.452 -2.151 1.00 0.00 N ATOM 343 CA ASP A 22 124.941 9.828 -1.134 1.00 0.00 C ATOM 344 C ASP A 22 125.403 8.613 -0.333 1.00 0.00 C ATOM 345 O ASP A 22 126.566 8.475 -0.012 1.00 0.00 O ATOM 346 CB ASP A 22 124.241 10.823 -0.209 1.00 0.00 C ATOM 347 CG ASP A 22 124.323 12.230 -0.800 1.00 0.00 C ATOM 348 OD1 ASP A 22 125.162 12.442 -1.662 1.00 0.00 O1- ATOM 349 OD2 ASP A 22 123.547 13.072 -0.383 1.00 0.00 O ATOM 0 H ASP A 22 122.996 9.880 -2.017 1.00 0.00 H new ATOM 0 HA ASP A 22 125.830 10.245 -1.607 1.00 0.00 H new ATOM 0 HB2 ASP A 22 123.198 10.536 -0.075 1.00 0.00 H new ATOM 0 HB3 ASP A 22 124.706 10.806 0.777 1.00 0.00 H new ATOM 354 N ALA A 23 124.501 7.731 -0.003 1.00 0.00 N ATOM 355 CA ALA A 23 124.908 6.536 0.786 1.00 0.00 C ATOM 356 C ALA A 23 125.898 5.702 -0.033 1.00 0.00 C ATOM 357 O ALA A 23 126.838 5.146 0.499 1.00 0.00 O ATOM 358 CB ALA A 23 123.619 5.769 1.074 1.00 0.00 C ATOM 0 H ALA A 23 123.511 7.784 -0.242 1.00 0.00 H new ATOM 0 HA ALA A 23 125.409 6.796 1.718 1.00 0.00 H new ATOM 0 HB1 ALA A 23 123.849 4.875 1.654 1.00 0.00 H new ATOM 0 HB2 ALA A 23 122.937 6.403 1.640 1.00 0.00 H new ATOM 0 HB3 ALA A 23 123.149 5.481 0.134 1.00 0.00 H new ATOM 364 N GLU A 24 125.695 5.603 -1.326 1.00 0.00 N ATOM 365 CA GLU A 24 126.638 4.799 -2.165 1.00 0.00 C ATOM 366 C GLU A 24 128.063 5.356 -2.083 1.00 0.00 C ATOM 367 O GLU A 24 129.020 4.680 -2.407 1.00 0.00 O ATOM 368 CB GLU A 24 126.092 4.892 -3.583 1.00 0.00 C ATOM 369 CG GLU A 24 124.791 4.096 -3.671 1.00 0.00 C ATOM 370 CD GLU A 24 124.184 4.227 -5.070 1.00 0.00 C ATOM 371 OE1 GLU A 24 124.695 5.011 -5.855 1.00 0.00 O1- ATOM 372 OE2 GLU A 24 123.209 3.544 -5.330 1.00 0.00 O ATOM 0 H GLU A 24 124.925 6.040 -1.832 1.00 0.00 H new ATOM 0 HA GLU A 24 126.701 3.766 -1.824 1.00 0.00 H new ATOM 0 HB2 GLU A 24 125.914 5.934 -3.850 1.00 0.00 H new ATOM 0 HB3 GLU A 24 126.821 4.501 -4.293 1.00 0.00 H new ATOM 0 HG2 GLU A 24 124.982 3.047 -3.447 1.00 0.00 H new ATOM 0 HG3 GLU A 24 124.084 4.458 -2.925 1.00 0.00 H new ATOM 379 N LYS A 25 128.221 6.562 -1.609 1.00 0.00 N ATOM 380 CA LYS A 25 129.590 7.121 -1.451 1.00 0.00 C ATOM 381 C LYS A 25 130.080 6.884 -0.011 1.00 0.00 C ATOM 382 O LYS A 25 131.210 7.185 0.318 1.00 0.00 O ATOM 383 CB LYS A 25 129.460 8.609 -1.754 1.00 0.00 C ATOM 384 CG LYS A 25 128.883 8.786 -3.157 1.00 0.00 C ATOM 385 CD LYS A 25 129.855 8.206 -4.186 1.00 0.00 C ATOM 386 CE LYS A 25 129.262 8.352 -5.585 1.00 0.00 C ATOM 387 NZ LYS A 25 130.281 7.761 -6.495 1.00 0.00 N1+ ATOM 0 H LYS A 25 127.462 7.182 -1.325 1.00 0.00 H new ATOM 0 HA LYS A 25 130.315 6.650 -2.115 1.00 0.00 H new ATOM 0 HB2 LYS A 25 128.813 9.087 -1.019 1.00 0.00 H new ATOM 0 HB3 LYS A 25 130.434 9.093 -1.684 1.00 0.00 H new ATOM 0 HG2 LYS A 25 127.918 8.285 -3.230 1.00 0.00 H new ATOM 0 HG3 LYS A 25 128.710 9.843 -3.360 1.00 0.00 H new ATOM 0 HD2 LYS A 25 130.813 8.724 -4.130 1.00 0.00 H new ATOM 0 HD3 LYS A 25 130.047 7.155 -3.969 1.00 0.00 H new ATOM 0 HE2 LYS A 25 128.309 7.830 -5.667 1.00 0.00 H new ATOM 0 HE3 LYS A 25 129.074 9.398 -5.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 129.947 7.823 -7.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 131.176 8.283 -6.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 130.434 6.763 -6.244 1.00 0.00 H new ATOM 401 N ASN A 26 129.249 6.328 0.841 1.00 0.00 N ATOM 402 CA ASN A 26 129.665 6.044 2.228 1.00 0.00 C ATOM 403 C ASN A 26 129.828 4.528 2.423 1.00 0.00 C ATOM 404 O ASN A 26 130.398 4.085 3.397 1.00 0.00 O ATOM 405 CB ASN A 26 128.516 6.574 3.079 1.00 0.00 C ATOM 406 CG ASN A 26 128.519 8.102 3.030 1.00 0.00 C ATOM 407 OD1 ASN A 26 129.503 8.707 2.650 1.00 0.00 O ATOM 408 ND2 ASN A 26 127.454 8.758 3.401 1.00 0.00 N ATOM 0 H ASN A 26 128.290 6.060 0.619 1.00 0.00 H new ATOM 0 HA ASN A 26 130.619 6.502 2.490 1.00 0.00 H new ATOM 0 HB2 ASN A 26 127.566 6.188 2.710 1.00 0.00 H new ATOM 0 HB3 ASN A 26 128.621 6.231 4.108 1.00 0.00 H new ATOM 0 HD21 ASN A 26 127.447 9.778 3.372 1.00 0.00 H new ATOM 0 HD22 ASN A 26 126.628 8.251 3.720 1.00 0.00 H new ATOM 415 N THR A 27 129.341 3.729 1.503 1.00 0.00 N ATOM 416 CA THR A 27 129.484 2.254 1.647 1.00 0.00 C ATOM 417 C THR A 27 129.398 1.576 0.262 1.00 0.00 C ATOM 418 O THR A 27 128.849 2.128 -0.673 1.00 0.00 O ATOM 419 CB THR A 27 128.293 1.845 2.551 1.00 0.00 C ATOM 420 OG1 THR A 27 128.437 0.495 3.007 1.00 0.00 O ATOM 421 CG2 THR A 27 126.964 1.991 1.788 1.00 0.00 C ATOM 0 H THR A 27 128.853 4.038 0.662 1.00 0.00 H new ATOM 0 HA THR A 27 130.441 1.955 2.074 1.00 0.00 H new ATOM 0 HB THR A 27 128.287 2.509 3.416 1.00 0.00 H new ATOM 0 HG1 THR A 27 129.320 0.381 3.417 1.00 0.00 H new ATOM 0 HG21 THR A 27 126.138 1.700 2.437 1.00 0.00 H new ATOM 0 HG22 THR A 27 126.834 3.028 1.478 1.00 0.00 H new ATOM 0 HG23 THR A 27 126.977 1.349 0.908 1.00 0.00 H new ATOM 429 N SER A 28 129.868 0.367 0.154 1.00 0.00 N ATOM 430 CA SER A 28 129.733 -0.367 -1.126 1.00 0.00 C ATOM 431 C SER A 28 128.373 -1.095 -1.140 1.00 0.00 C ATOM 432 O SER A 28 127.926 -1.568 -2.166 1.00 0.00 O ATOM 433 CB SER A 28 130.890 -1.357 -1.150 1.00 0.00 C ATOM 434 OG SER A 28 132.111 -0.642 -1.278 1.00 0.00 O ATOM 0 H SER A 28 130.340 -0.143 0.900 1.00 0.00 H new ATOM 0 HA SER A 28 129.765 0.285 -1.999 1.00 0.00 H new ATOM 0 HB2 SER A 28 130.896 -1.951 -0.236 1.00 0.00 H new ATOM 0 HB3 SER A 28 130.773 -2.053 -1.981 1.00 0.00 H new ATOM 0 HG SER A 28 132.179 -0.270 -2.182 1.00 0.00 H new ATOM 440 N GLY A 29 127.697 -1.171 -0.004 1.00 0.00 N ATOM 441 CA GLY A 29 126.379 -1.836 0.040 1.00 0.00 C ATOM 442 C GLY A 29 125.395 -1.004 -0.763 1.00 0.00 C ATOM 443 O GLY A 29 125.686 0.121 -1.126 1.00 0.00 O ATOM 0 H GLY A 29 128.019 -0.794 0.887 1.00 0.00 H new ATOM 0 HA2 GLY A 29 126.448 -2.843 -0.371 1.00 0.00 H new ATOM 0 HA3 GLY A 29 126.039 -1.936 1.071 1.00 0.00 H new ATOM 447 N GLU A 30 124.248 -1.537 -1.065 1.00 0.00 N ATOM 448 CA GLU A 30 123.274 -0.744 -1.873 1.00 0.00 C ATOM 449 C GLU A 30 121.852 -0.838 -1.320 1.00 0.00 C ATOM 450 O GLU A 30 121.410 -1.869 -0.851 1.00 0.00 O ATOM 451 CB GLU A 30 123.379 -1.324 -3.275 1.00 0.00 C ATOM 452 CG GLU A 30 124.732 -0.911 -3.857 1.00 0.00 C ATOM 453 CD GLU A 30 124.967 -1.588 -5.194 1.00 0.00 C ATOM 454 OE1 GLU A 30 124.137 -2.385 -5.606 1.00 0.00 O ATOM 455 OE2 GLU A 30 125.982 -1.287 -5.791 1.00 0.00 O1- ATOM 0 H GLU A 30 123.942 -2.472 -0.795 1.00 0.00 H new ATOM 0 HA GLU A 30 123.503 0.322 -1.852 1.00 0.00 H new ATOM 0 HB2 GLU A 30 123.292 -2.410 -3.246 1.00 0.00 H new ATOM 0 HB3 GLU A 30 122.566 -0.956 -3.901 1.00 0.00 H new ATOM 0 HG2 GLU A 30 124.766 0.171 -3.980 1.00 0.00 H new ATOM 0 HG3 GLU A 30 125.529 -1.178 -3.163 1.00 0.00 H new ATOM 462 N ILE A 31 121.145 0.258 -1.365 1.00 0.00 N ATOM 463 CA ILE A 31 119.752 0.300 -0.838 1.00 0.00 C ATOM 464 C ILE A 31 118.779 0.769 -1.926 1.00 0.00 C ATOM 465 O ILE A 31 119.040 1.718 -2.638 1.00 0.00 O ATOM 466 CB ILE A 31 119.819 1.303 0.310 1.00 0.00 C ATOM 467 CG1 ILE A 31 120.796 0.774 1.365 1.00 0.00 C ATOM 468 CG2 ILE A 31 118.431 1.460 0.935 1.00 0.00 C ATOM 469 CD1 ILE A 31 121.067 1.855 2.413 1.00 0.00 C ATOM 0 H ILE A 31 121.480 1.141 -1.751 1.00 0.00 H new ATOM 0 HA ILE A 31 119.393 -0.676 -0.513 1.00 0.00 H new ATOM 0 HB ILE A 31 120.156 2.271 -0.061 1.00 0.00 H new ATOM 0 HG12 ILE A 31 120.382 -0.113 1.844 1.00 0.00 H new ATOM 0 HG13 ILE A 31 121.730 0.474 0.890 1.00 0.00 H new ATOM 0 HG21 ILE A 31 118.480 2.177 1.755 1.00 0.00 H new ATOM 0 HG22 ILE A 31 117.731 1.819 0.181 1.00 0.00 H new ATOM 0 HG23 ILE A 31 118.092 0.496 1.315 1.00 0.00 H new ATOM 0 HD11 ILE A 31 121.762 1.472 3.160 1.00 0.00 H new ATOM 0 HD12 ILE A 31 121.500 2.730 1.929 1.00 0.00 H new ATOM 0 HD13 ILE A 31 120.132 2.134 2.898 1.00 0.00 H new ATOM 481 N ARG A 32 117.654 0.118 -2.052 1.00 0.00 N ATOM 482 CA ARG A 32 116.655 0.531 -3.084 1.00 0.00 C ATOM 483 C ARG A 32 115.239 0.430 -2.504 1.00 0.00 C ATOM 484 O ARG A 32 115.021 -0.197 -1.485 1.00 0.00 O ATOM 485 CB ARG A 32 116.844 -0.445 -4.241 1.00 0.00 C ATOM 486 CG ARG A 32 115.924 -0.055 -5.401 1.00 0.00 C ATOM 487 CD ARG A 32 116.160 -1.002 -6.578 1.00 0.00 C ATOM 488 NE ARG A 32 115.373 -0.426 -7.704 1.00 0.00 N ATOM 489 CZ ARG A 32 115.077 -1.171 -8.733 1.00 0.00 C ATOM 490 NH1 ARG A 32 114.576 -2.361 -8.549 1.00 0.00 N ATOM 491 NH2 ARG A 32 115.283 -0.728 -9.944 1.00 0.00 N1+ ATOM 0 H ARG A 32 117.382 -0.684 -1.484 1.00 0.00 H new ATOM 0 HA ARG A 32 116.793 1.562 -3.410 1.00 0.00 H new ATOM 0 HB2 ARG A 32 117.883 -0.437 -4.570 1.00 0.00 H new ATOM 0 HB3 ARG A 32 116.621 -1.460 -3.913 1.00 0.00 H new ATOM 0 HG2 ARG A 32 114.882 -0.103 -5.085 1.00 0.00 H new ATOM 0 HG3 ARG A 32 116.118 0.974 -5.703 1.00 0.00 H new ATOM 0 HD2 ARG A 32 117.219 -1.063 -6.828 1.00 0.00 H new ATOM 0 HD3 ARG A 32 115.829 -2.013 -6.343 1.00 0.00 H new ATOM 0 HE ARG A 32 115.067 0.546 -7.671 1.00 0.00 H new ATOM 0 HH11 ARG A 32 114.417 -2.707 -7.603 1.00 0.00 H new ATOM 0 HH12 ARG A 32 114.343 -2.946 -9.351 1.00 0.00 H new ATOM 0 HH21 ARG A 32 115.676 0.202 -10.087 1.00 0.00 H new ATOM 0 HH22 ARG A 32 115.051 -1.312 -10.747 1.00 0.00 H new ATOM 505 N VAL A 33 114.279 1.060 -3.129 1.00 0.00 N ATOM 506 CA VAL A 33 112.889 1.015 -2.584 1.00 0.00 C ATOM 507 C VAL A 33 111.862 0.673 -3.675 1.00 0.00 C ATOM 508 O VAL A 33 111.957 1.110 -4.806 1.00 0.00 O ATOM 509 CB VAL A 33 112.640 2.430 -2.041 1.00 0.00 C ATOM 510 CG1 VAL A 33 112.896 3.468 -3.139 1.00 0.00 C ATOM 511 CG2 VAL A 33 111.195 2.552 -1.544 1.00 0.00 C ATOM 0 H VAL A 33 114.395 1.600 -3.987 1.00 0.00 H new ATOM 0 HA VAL A 33 112.783 0.244 -1.821 1.00 0.00 H new ATOM 0 HB VAL A 33 113.323 2.613 -1.211 1.00 0.00 H new ATOM 0 HG11 VAL A 33 112.717 4.468 -2.744 1.00 0.00 H new ATOM 0 HG12 VAL A 33 113.929 3.392 -3.478 1.00 0.00 H new ATOM 0 HG13 VAL A 33 112.225 3.284 -3.978 1.00 0.00 H new ATOM 0 HG21 VAL A 33 111.026 3.558 -1.160 1.00 0.00 H new ATOM 0 HG22 VAL A 33 110.509 2.358 -2.369 1.00 0.00 H new ATOM 0 HG23 VAL A 33 111.021 1.827 -0.749 1.00 0.00 H new ATOM 521 N HIS A 34 110.872 -0.096 -3.325 1.00 0.00 N ATOM 522 CA HIS A 34 109.815 -0.463 -4.305 1.00 0.00 C ATOM 523 C HIS A 34 108.438 -0.130 -3.719 1.00 0.00 C ATOM 524 O HIS A 34 108.090 -0.551 -2.634 1.00 0.00 O ATOM 525 CB HIS A 34 109.970 -1.968 -4.531 1.00 0.00 C ATOM 526 CG HIS A 34 108.856 -2.465 -5.414 1.00 0.00 C ATOM 527 ND1 HIS A 34 108.864 -2.289 -6.788 1.00 0.00 N ATOM 528 CD2 HIS A 34 107.685 -3.123 -5.126 1.00 0.00 C ATOM 529 CE1 HIS A 34 107.732 -2.831 -7.272 1.00 0.00 C ATOM 530 NE2 HIS A 34 106.978 -3.353 -6.303 1.00 0.00 N ATOM 0 H HIS A 34 110.749 -0.490 -2.392 1.00 0.00 H new ATOM 0 HA HIS A 34 109.906 0.083 -5.244 1.00 0.00 H new ATOM 0 HB2 HIS A 34 110.935 -2.179 -4.992 1.00 0.00 H new ATOM 0 HB3 HIS A 34 109.952 -2.493 -3.576 1.00 0.00 H new ATOM 0 HD2 HIS A 34 107.362 -3.417 -4.138 1.00 0.00 H new ATOM 0 HE1 HIS A 34 107.466 -2.842 -8.319 1.00 0.00 H new ATOM 0 HE2 HIS A 34 106.077 -3.820 -6.403 1.00 0.00 H new ATOM 538 N LEU A 35 107.663 0.633 -4.431 1.00 0.00 N ATOM 539 CA LEU A 35 106.313 1.022 -3.935 1.00 0.00 C ATOM 540 C LEU A 35 105.194 0.320 -4.707 1.00 0.00 C ATOM 541 O LEU A 35 105.115 0.372 -5.918 1.00 0.00 O ATOM 542 CB LEU A 35 106.240 2.525 -4.172 1.00 0.00 C ATOM 543 CG LEU A 35 104.939 3.058 -3.585 1.00 0.00 C ATOM 544 CD1 LEU A 35 104.932 2.842 -2.071 1.00 0.00 C ATOM 545 CD2 LEU A 35 104.840 4.546 -3.886 1.00 0.00 C ATOM 0 H LEU A 35 107.908 1.010 -5.347 1.00 0.00 H new ATOM 0 HA LEU A 35 106.180 0.741 -2.890 1.00 0.00 H new ATOM 0 HB2 LEU A 35 107.093 3.021 -3.709 1.00 0.00 H new ATOM 0 HB3 LEU A 35 106.287 2.740 -5.239 1.00 0.00 H new ATOM 0 HG LEU A 35 104.092 2.532 -4.025 1.00 0.00 H new ATOM 0 HD11 LEU A 35 104.001 3.224 -1.653 1.00 0.00 H new ATOM 0 HD12 LEU A 35 105.017 1.777 -1.855 1.00 0.00 H new ATOM 0 HD13 LEU A 35 105.774 3.371 -1.624 1.00 0.00 H new ATOM 0 HD21 LEU A 35 103.912 4.940 -3.471 1.00 0.00 H new ATOM 0 HD22 LEU A 35 105.687 5.065 -3.438 1.00 0.00 H new ATOM 0 HD23 LEU A 35 104.849 4.700 -4.965 1.00 0.00 H new ATOM 557 N GLU A 36 104.297 -0.295 -3.979 1.00 0.00 N ATOM 558 CA GLU A 36 103.120 -0.973 -4.590 1.00 0.00 C ATOM 559 C GLU A 36 101.933 -0.799 -3.643 1.00 0.00 C ATOM 560 O GLU A 36 102.097 -0.493 -2.478 1.00 0.00 O ATOM 561 CB GLU A 36 103.483 -2.449 -4.742 1.00 0.00 C ATOM 562 CG GLU A 36 102.313 -3.188 -5.396 1.00 0.00 C ATOM 563 CD GLU A 36 102.660 -4.670 -5.565 1.00 0.00 C ATOM 564 OE1 GLU A 36 103.826 -5.008 -5.440 1.00 0.00 O ATOM 565 OE2 GLU A 36 101.750 -5.443 -5.817 1.00 0.00 O1- ATOM 0 H GLU A 36 104.335 -0.355 -2.961 1.00 0.00 H new ATOM 0 HA GLU A 36 102.857 -0.558 -5.563 1.00 0.00 H new ATOM 0 HB2 GLU A 36 104.381 -2.555 -5.350 1.00 0.00 H new ATOM 0 HB3 GLU A 36 103.705 -2.884 -3.767 1.00 0.00 H new ATOM 0 HG2 GLU A 36 101.418 -3.083 -4.783 1.00 0.00 H new ATOM 0 HG3 GLU A 36 102.089 -2.745 -6.367 1.00 0.00 H new ATOM 572 N LYS A 37 100.737 -0.947 -4.137 1.00 0.00 N ATOM 573 CA LYS A 37 99.549 -0.741 -3.266 1.00 0.00 C ATOM 574 C LYS A 37 99.252 -1.944 -2.368 1.00 0.00 C ATOM 575 O LYS A 37 99.546 -1.926 -1.189 1.00 0.00 O ATOM 576 CB LYS A 37 98.386 -0.466 -4.219 1.00 0.00 C ATOM 577 CG LYS A 37 98.553 0.927 -4.830 1.00 0.00 C ATOM 578 CD LYS A 37 97.376 1.218 -5.760 1.00 0.00 C ATOM 579 CE LYS A 37 97.522 2.623 -6.352 1.00 0.00 C ATOM 580 NZ LYS A 37 96.364 2.777 -7.281 1.00 0.00 N1+ ATOM 0 H LYS A 37 100.531 -1.201 -5.103 1.00 0.00 H new ATOM 0 HA LYS A 37 99.722 0.085 -2.576 1.00 0.00 H new ATOM 0 HB2 LYS A 37 98.359 -1.220 -5.006 1.00 0.00 H new ATOM 0 HB3 LYS A 37 97.439 -0.530 -3.683 1.00 0.00 H new ATOM 0 HG2 LYS A 37 98.602 1.678 -4.042 1.00 0.00 H new ATOM 0 HG3 LYS A 37 99.490 0.983 -5.383 1.00 0.00 H new ATOM 0 HD2 LYS A 37 97.340 0.478 -6.559 1.00 0.00 H new ATOM 0 HD3 LYS A 37 96.438 1.140 -5.211 1.00 0.00 H new ATOM 0 HE2 LYS A 37 97.505 3.383 -5.571 1.00 0.00 H new ATOM 0 HE3 LYS A 37 98.469 2.731 -6.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 96.397 3.717 -7.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 96.410 2.045 -8.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 95.476 2.677 -6.749 1.00 0.00 H new ATOM 594 N THR A 38 98.700 -2.995 -2.914 1.00 0.00 N ATOM 595 CA THR A 38 98.402 -4.199 -2.079 1.00 0.00 C ATOM 596 C THR A 38 98.802 -5.471 -2.825 1.00 0.00 C ATOM 597 O THR A 38 98.861 -5.502 -4.038 1.00 0.00 O ATOM 598 CB THR A 38 96.889 -4.164 -1.848 1.00 0.00 C ATOM 599 OG1 THR A 38 96.489 -5.338 -1.154 1.00 0.00 O ATOM 600 CG2 THR A 38 96.166 -4.096 -3.194 1.00 0.00 C ATOM 0 H THR A 38 98.443 -3.073 -3.898 1.00 0.00 H new ATOM 0 HA THR A 38 98.955 -4.194 -1.140 1.00 0.00 H new ATOM 0 HB THR A 38 96.633 -3.286 -1.255 1.00 0.00 H new ATOM 0 HG1 THR A 38 95.521 -5.316 -1.004 1.00 0.00 H new ATOM 0 HG21 THR A 38 95.089 -4.071 -3.028 1.00 0.00 H new ATOM 0 HG22 THR A 38 96.472 -3.195 -3.726 1.00 0.00 H new ATOM 0 HG23 THR A 38 96.421 -4.973 -3.789 1.00 0.00 H new ATOM 608 N SER A 39 99.075 -6.523 -2.104 1.00 0.00 N ATOM 609 CA SER A 39 99.469 -7.798 -2.760 1.00 0.00 C ATOM 610 C SER A 39 98.302 -8.788 -2.744 1.00 0.00 C ATOM 611 O SER A 39 97.297 -8.575 -2.094 1.00 0.00 O ATOM 612 CB SER A 39 100.637 -8.328 -1.928 1.00 0.00 C ATOM 613 OG SER A 39 100.258 -8.373 -0.559 1.00 0.00 O ATOM 0 H SER A 39 99.042 -6.553 -1.085 1.00 0.00 H new ATOM 0 HA SER A 39 99.745 -7.655 -3.805 1.00 0.00 H new ATOM 0 HB2 SER A 39 100.921 -9.323 -2.271 1.00 0.00 H new ATOM 0 HB3 SER A 39 101.509 -7.686 -2.055 1.00 0.00 H new ATOM 0 HG SER A 39 101.005 -8.714 -0.024 1.00 0.00 H new ATOM 619 N GLU A 40 98.440 -9.873 -3.442 1.00 0.00 N ATOM 620 CA GLU A 40 97.361 -10.904 -3.465 1.00 0.00 C ATOM 621 C GLU A 40 97.794 -12.152 -2.675 1.00 0.00 C ATOM 622 O GLU A 40 96.993 -13.017 -2.377 1.00 0.00 O ATOM 623 CB GLU A 40 97.170 -11.244 -4.942 1.00 0.00 C ATOM 624 CG GLU A 40 96.592 -10.027 -5.670 1.00 0.00 C ATOM 625 CD GLU A 40 97.727 -9.129 -6.181 1.00 0.00 C ATOM 626 OE1 GLU A 40 98.877 -9.419 -5.887 1.00 0.00 O1- ATOM 627 OE2 GLU A 40 97.426 -8.166 -6.866 1.00 0.00 O ATOM 0 H GLU A 40 99.260 -10.097 -4.005 1.00 0.00 H new ATOM 0 HA GLU A 40 96.440 -10.545 -3.006 1.00 0.00 H new ATOM 0 HB2 GLU A 40 98.123 -11.530 -5.387 1.00 0.00 H new ATOM 0 HB3 GLU A 40 96.500 -12.097 -5.047 1.00 0.00 H new ATOM 0 HG2 GLU A 40 95.972 -10.354 -6.505 1.00 0.00 H new ATOM 0 HG3 GLU A 40 95.947 -9.463 -4.996 1.00 0.00 H new ATOM 634 N ILE A 41 99.054 -12.252 -2.339 1.00 0.00 N ATOM 635 CA ILE A 41 99.554 -13.425 -1.578 1.00 0.00 C ATOM 636 C ILE A 41 100.247 -12.921 -0.299 1.00 0.00 C ATOM 637 O ILE A 41 99.633 -12.216 0.479 1.00 0.00 O ATOM 638 CB ILE A 41 100.515 -14.133 -2.546 1.00 0.00 C ATOM 639 CG1 ILE A 41 101.565 -13.137 -3.070 1.00 0.00 C ATOM 640 CG2 ILE A 41 99.726 -14.695 -3.727 1.00 0.00 C ATOM 641 CD1 ILE A 41 102.641 -13.887 -3.851 1.00 0.00 C ATOM 0 H ILE A 41 99.765 -11.557 -2.566 1.00 0.00 H new ATOM 0 HA ILE A 41 98.777 -14.116 -1.250 1.00 0.00 H new ATOM 0 HB ILE A 41 101.018 -14.942 -2.017 1.00 0.00 H new ATOM 0 HG12 ILE A 41 101.088 -12.395 -3.710 1.00 0.00 H new ATOM 0 HG13 ILE A 41 102.016 -12.597 -2.237 1.00 0.00 H new ATOM 0 HG21 ILE A 41 100.407 -15.197 -4.414 1.00 0.00 H new ATOM 0 HG22 ILE A 41 98.986 -15.408 -3.364 1.00 0.00 H new ATOM 0 HG23 ILE A 41 99.221 -13.881 -4.247 1.00 0.00 H new ATOM 0 HD11 ILE A 41 103.383 -13.179 -4.220 1.00 0.00 H new ATOM 0 HD12 ILE A 41 103.126 -14.612 -3.198 1.00 0.00 H new ATOM 0 HD13 ILE A 41 102.184 -14.406 -4.693 1.00 0.00 H new ATOM 653 N ASP A 42 101.507 -13.227 -0.070 1.00 0.00 N ATOM 654 CA ASP A 42 102.171 -12.705 1.150 1.00 0.00 C ATOM 655 C ASP A 42 103.241 -11.686 0.758 1.00 0.00 C ATOM 656 O ASP A 42 103.936 -11.842 -0.227 1.00 0.00 O ATOM 657 CB ASP A 42 102.774 -13.925 1.843 1.00 0.00 C ATOM 658 CG ASP A 42 101.650 -14.777 2.449 1.00 0.00 C ATOM 659 OD1 ASP A 42 100.544 -14.273 2.571 1.00 0.00 O1- ATOM 660 OD2 ASP A 42 101.917 -15.918 2.783 1.00 0.00 O ATOM 0 H ASP A 42 102.089 -13.809 -0.673 1.00 0.00 H new ATOM 0 HA ASP A 42 101.480 -12.189 1.817 1.00 0.00 H new ATOM 0 HB2 ASP A 42 103.348 -14.516 1.129 1.00 0.00 H new ATOM 0 HB3 ASP A 42 103.466 -13.608 2.623 1.00 0.00 H new ATOM 665 N VAL A 43 103.362 -10.632 1.513 1.00 0.00 N ATOM 666 CA VAL A 43 104.368 -9.586 1.183 1.00 0.00 C ATOM 667 C VAL A 43 105.786 -10.150 1.282 1.00 0.00 C ATOM 668 O VAL A 43 106.618 -9.894 0.441 1.00 0.00 O ATOM 669 CB VAL A 43 104.142 -8.470 2.203 1.00 0.00 C ATOM 670 CG1 VAL A 43 105.201 -7.382 2.017 1.00 0.00 C ATOM 671 CG2 VAL A 43 102.753 -7.864 1.991 1.00 0.00 C ATOM 0 H VAL A 43 102.805 -10.449 2.348 1.00 0.00 H new ATOM 0 HA VAL A 43 104.257 -9.220 0.162 1.00 0.00 H new ATOM 0 HB VAL A 43 104.215 -8.880 3.210 1.00 0.00 H new ATOM 0 HG11 VAL A 43 105.038 -6.587 2.745 1.00 0.00 H new ATOM 0 HG12 VAL A 43 106.192 -7.811 2.163 1.00 0.00 H new ATOM 0 HG13 VAL A 43 105.128 -6.972 1.010 1.00 0.00 H new ATOM 0 HG21 VAL A 43 102.589 -7.068 2.717 1.00 0.00 H new ATOM 0 HG22 VAL A 43 102.684 -7.456 0.983 1.00 0.00 H new ATOM 0 HG23 VAL A 43 101.995 -8.636 2.122 1.00 0.00 H new ATOM 681 N PHE A 44 106.071 -10.921 2.295 1.00 0.00 N ATOM 682 CA PHE A 44 107.440 -11.502 2.416 1.00 0.00 C ATOM 683 C PHE A 44 107.750 -12.372 1.189 1.00 0.00 C ATOM 684 O PHE A 44 108.791 -12.231 0.578 1.00 0.00 O ATOM 685 CB PHE A 44 107.401 -12.344 3.691 1.00 0.00 C ATOM 686 CG PHE A 44 108.722 -13.053 3.868 1.00 0.00 C ATOM 687 CD1 PHE A 44 109.864 -12.329 4.233 1.00 0.00 C ATOM 688 CD2 PHE A 44 108.805 -14.434 3.664 1.00 0.00 C ATOM 689 CE1 PHE A 44 111.089 -12.988 4.393 1.00 0.00 C ATOM 690 CE2 PHE A 44 110.030 -15.093 3.824 1.00 0.00 C ATOM 691 CZ PHE A 44 111.171 -14.370 4.189 1.00 0.00 C ATOM 0 H PHE A 44 105.421 -11.173 3.040 1.00 0.00 H new ATOM 0 HA PHE A 44 108.217 -10.739 2.464 1.00 0.00 H new ATOM 0 HB2 PHE A 44 107.199 -11.708 4.553 1.00 0.00 H new ATOM 0 HB3 PHE A 44 106.591 -13.071 3.635 1.00 0.00 H new ATOM 0 HD1 PHE A 44 109.800 -11.263 4.391 1.00 0.00 H new ATOM 0 HD2 PHE A 44 107.924 -14.992 3.383 1.00 0.00 H new ATOM 0 HE1 PHE A 44 111.970 -12.430 4.674 1.00 0.00 H new ATOM 0 HE2 PHE A 44 110.094 -16.159 3.666 1.00 0.00 H new ATOM 0 HZ PHE A 44 112.115 -14.879 4.313 1.00 0.00 H new ATOM 701 N ASP A 45 106.848 -13.229 0.786 1.00 0.00 N ATOM 702 CA ASP A 45 107.106 -14.043 -0.443 1.00 0.00 C ATOM 703 C ASP A 45 107.057 -13.120 -1.665 1.00 0.00 C ATOM 704 O ASP A 45 107.818 -13.274 -2.599 1.00 0.00 O ATOM 705 CB ASP A 45 105.992 -15.093 -0.488 1.00 0.00 C ATOM 706 CG ASP A 45 106.386 -16.307 0.369 1.00 0.00 C ATOM 707 OD1 ASP A 45 107.518 -16.351 0.828 1.00 0.00 O1- ATOM 708 OD2 ASP A 45 105.550 -17.179 0.539 1.00 0.00 O ATOM 0 H ASP A 45 105.954 -13.401 1.247 1.00 0.00 H new ATOM 0 HA ASP A 45 108.083 -14.526 -0.437 1.00 0.00 H new ATOM 0 HB2 ASP A 45 105.060 -14.664 -0.120 1.00 0.00 H new ATOM 0 HB3 ASP A 45 105.815 -15.405 -1.517 1.00 0.00 H new ATOM 713 N ARG A 46 106.181 -12.155 -1.659 1.00 0.00 N ATOM 714 CA ARG A 46 106.099 -11.214 -2.814 1.00 0.00 C ATOM 715 C ARG A 46 107.388 -10.403 -2.951 1.00 0.00 C ATOM 716 O ARG A 46 107.886 -10.212 -4.042 1.00 0.00 O ATOM 717 CB ARG A 46 104.925 -10.285 -2.505 1.00 0.00 C ATOM 718 CG ARG A 46 104.738 -9.319 -3.679 1.00 0.00 C ATOM 719 CD ARG A 46 103.507 -8.440 -3.445 1.00 0.00 C ATOM 720 NE ARG A 46 103.477 -7.516 -4.614 1.00 0.00 N ATOM 721 CZ ARG A 46 102.887 -7.878 -5.722 1.00 0.00 C ATOM 722 NH1 ARG A 46 101.703 -8.424 -5.685 1.00 0.00 N ATOM 723 NH2 ARG A 46 103.485 -7.695 -6.867 1.00 0.00 N1+ ATOM 0 H ARG A 46 105.518 -11.976 -0.905 1.00 0.00 H new ATOM 0 HA ARG A 46 105.961 -11.751 -3.752 1.00 0.00 H new ATOM 0 HB2 ARG A 46 104.016 -10.865 -2.345 1.00 0.00 H new ATOM 0 HB3 ARG A 46 105.114 -9.730 -1.586 1.00 0.00 H new ATOM 0 HG2 ARG A 46 105.624 -8.695 -3.791 1.00 0.00 H new ATOM 0 HG3 ARG A 46 104.623 -9.880 -4.607 1.00 0.00 H new ATOM 0 HD2 ARG A 46 102.598 -9.038 -3.389 1.00 0.00 H new ATOM 0 HD3 ARG A 46 103.585 -7.890 -2.507 1.00 0.00 H new ATOM 0 HE ARG A 46 103.918 -6.599 -4.549 1.00 0.00 H new ATOM 0 HH11 ARG A 46 101.236 -8.569 -4.790 1.00 0.00 H new ATOM 0 HH12 ARG A 46 101.244 -8.706 -6.551 1.00 0.00 H new ATOM 0 HH21 ARG A 46 104.412 -7.270 -6.896 1.00 0.00 H new ATOM 0 HH22 ARG A 46 103.026 -7.977 -7.733 1.00 0.00 H new ATOM 737 N ALA A 47 107.941 -9.919 -1.871 1.00 0.00 N ATOM 738 CA ALA A 47 109.196 -9.123 -1.979 1.00 0.00 C ATOM 739 C ALA A 47 110.354 -10.009 -2.437 1.00 0.00 C ATOM 740 O ALA A 47 111.188 -9.592 -3.213 1.00 0.00 O ATOM 741 CB ALA A 47 109.450 -8.565 -0.580 1.00 0.00 C ATOM 0 H ALA A 47 107.580 -10.040 -0.925 1.00 0.00 H new ATOM 0 HA ALA A 47 109.109 -8.323 -2.715 1.00 0.00 H new ATOM 0 HB1 ALA A 47 110.361 -7.967 -0.587 1.00 0.00 H new ATOM 0 HB2 ALA A 47 108.609 -7.941 -0.279 1.00 0.00 H new ATOM 0 HB3 ALA A 47 109.562 -9.388 0.125 1.00 0.00 H new ATOM 747 N MET A 48 110.409 -11.231 -1.983 1.00 0.00 N ATOM 748 CA MET A 48 111.515 -12.129 -2.426 1.00 0.00 C ATOM 749 C MET A 48 111.407 -12.343 -3.935 1.00 0.00 C ATOM 750 O MET A 48 112.392 -12.316 -4.645 1.00 0.00 O ATOM 751 CB MET A 48 111.311 -13.444 -1.673 1.00 0.00 C ATOM 752 CG MET A 48 112.454 -14.403 -2.015 1.00 0.00 C ATOM 753 SD MET A 48 112.359 -15.866 -0.951 1.00 0.00 S ATOM 754 CE MET A 48 110.794 -16.515 -1.583 1.00 0.00 C ATOM 0 H MET A 48 109.743 -11.645 -1.330 1.00 0.00 H new ATOM 0 HA MET A 48 112.501 -11.714 -2.219 1.00 0.00 H new ATOM 0 HB2 MET A 48 111.283 -13.261 -0.599 1.00 0.00 H new ATOM 0 HB3 MET A 48 110.354 -13.888 -1.946 1.00 0.00 H new ATOM 0 HG2 MET A 48 112.393 -14.698 -3.063 1.00 0.00 H new ATOM 0 HG3 MET A 48 113.414 -13.904 -1.880 1.00 0.00 H new ATOM 0 HE1 MET A 48 110.751 -17.591 -1.414 1.00 0.00 H new ATOM 0 HE2 MET A 48 109.965 -16.033 -1.065 1.00 0.00 H new ATOM 0 HE3 MET A 48 110.721 -16.313 -2.652 1.00 0.00 H new ATOM 764 N ASP A 49 110.220 -12.544 -4.436 1.00 0.00 N ATOM 765 CA ASP A 49 110.066 -12.740 -5.905 1.00 0.00 C ATOM 766 C ASP A 49 110.438 -11.457 -6.656 1.00 0.00 C ATOM 767 O ASP A 49 111.146 -11.486 -7.640 1.00 0.00 O ATOM 768 CB ASP A 49 108.599 -13.104 -6.114 1.00 0.00 C ATOM 769 CG ASP A 49 108.420 -14.608 -5.901 1.00 0.00 C ATOM 770 OD1 ASP A 49 109.391 -15.329 -6.069 1.00 0.00 O1- ATOM 771 OD2 ASP A 49 107.317 -15.015 -5.580 1.00 0.00 O ATOM 0 H ASP A 49 109.355 -12.581 -3.896 1.00 0.00 H new ATOM 0 HA ASP A 49 110.723 -13.520 -6.288 1.00 0.00 H new ATOM 0 HB2 ASP A 49 107.971 -12.548 -5.417 1.00 0.00 H new ATOM 0 HB3 ASP A 49 108.283 -12.827 -7.119 1.00 0.00 H new ATOM 776 N VAL A 50 109.974 -10.330 -6.185 1.00 0.00 N ATOM 777 CA VAL A 50 110.307 -9.036 -6.852 1.00 0.00 C ATOM 778 C VAL A 50 111.804 -8.722 -6.696 1.00 0.00 C ATOM 779 O VAL A 50 112.451 -8.314 -7.639 1.00 0.00 O ATOM 780 CB VAL A 50 109.434 -7.986 -6.158 1.00 0.00 C ATOM 781 CG1 VAL A 50 109.801 -6.591 -6.666 1.00 0.00 C ATOM 782 CG2 VAL A 50 107.961 -8.266 -6.470 1.00 0.00 C ATOM 0 H VAL A 50 109.376 -10.249 -5.363 1.00 0.00 H new ATOM 0 HA VAL A 50 110.113 -9.061 -7.924 1.00 0.00 H new ATOM 0 HB VAL A 50 109.599 -8.034 -5.082 1.00 0.00 H new ATOM 0 HG11 VAL A 50 109.178 -5.847 -6.170 1.00 0.00 H new ATOM 0 HG12 VAL A 50 110.850 -6.389 -6.448 1.00 0.00 H new ATOM 0 HG13 VAL A 50 109.638 -6.541 -7.743 1.00 0.00 H new ATOM 0 HG21 VAL A 50 107.337 -7.520 -5.978 1.00 0.00 H new ATOM 0 HG22 VAL A 50 107.802 -8.218 -7.547 1.00 0.00 H new ATOM 0 HG23 VAL A 50 107.695 -9.259 -6.108 1.00 0.00 H new ATOM 792 N PHE A 51 112.368 -8.915 -5.534 1.00 0.00 N ATOM 793 CA PHE A 51 113.828 -8.629 -5.367 1.00 0.00 C ATOM 794 C PHE A 51 114.621 -9.491 -6.354 1.00 0.00 C ATOM 795 O PHE A 51 115.479 -9.001 -7.064 1.00 0.00 O ATOM 796 CB PHE A 51 114.154 -9.042 -3.927 1.00 0.00 C ATOM 797 CG PHE A 51 115.518 -8.519 -3.520 1.00 0.00 C ATOM 798 CD1 PHE A 51 116.678 -8.937 -4.184 1.00 0.00 C ATOM 799 CD2 PHE A 51 115.612 -7.604 -2.473 1.00 0.00 C ATOM 800 CE1 PHE A 51 117.925 -8.435 -3.792 1.00 0.00 C ATOM 801 CE2 PHE A 51 116.857 -7.098 -2.083 1.00 0.00 C ATOM 802 CZ PHE A 51 118.013 -7.514 -2.744 1.00 0.00 C ATOM 0 H PHE A 51 111.890 -9.255 -4.700 1.00 0.00 H new ATOM 0 HA PHE A 51 114.078 -7.585 -5.554 1.00 0.00 H new ATOM 0 HB2 PHE A 51 113.393 -8.654 -3.250 1.00 0.00 H new ATOM 0 HB3 PHE A 51 114.134 -10.128 -3.841 1.00 0.00 H new ATOM 0 HD1 PHE A 51 116.611 -9.645 -4.997 1.00 0.00 H new ATOM 0 HD2 PHE A 51 114.718 -7.283 -1.959 1.00 0.00 H new ATOM 0 HE1 PHE A 51 118.821 -8.760 -4.300 1.00 0.00 H new ATOM 0 HE2 PHE A 51 116.923 -6.387 -1.272 1.00 0.00 H new ATOM 0 HZ PHE A 51 118.975 -7.125 -2.446 1.00 0.00 H new ATOM 812 N HIS A 52 114.334 -10.761 -6.425 1.00 0.00 N ATOM 813 CA HIS A 52 115.068 -11.634 -7.389 1.00 0.00 C ATOM 814 C HIS A 52 114.613 -11.320 -8.822 1.00 0.00 C ATOM 815 O HIS A 52 115.396 -11.359 -9.750 1.00 0.00 O ATOM 816 CB HIS A 52 114.702 -13.069 -7.002 1.00 0.00 C ATOM 817 CG HIS A 52 115.367 -13.443 -5.702 1.00 0.00 C ATOM 818 ND1 HIS A 52 115.390 -12.835 -4.469 1.00 0.00 N flip ATOM 819 CD2 HIS A 52 116.118 -14.601 -5.567 1.00 0.00 C flip ATOM 820 CE1 HIS A 52 116.142 -13.604 -3.583 1.00 0.00 C flip ATOM 821 NE2 HIS A 52 116.556 -14.656 -4.296 1.00 0.00 N flip ATOM 0 H HIS A 52 113.627 -11.232 -5.861 1.00 0.00 H new ATOM 0 HA HIS A 52 116.146 -11.478 -7.353 1.00 0.00 H new ATOM 0 HB2 HIS A 52 113.620 -13.163 -6.906 1.00 0.00 H new ATOM 0 HB3 HIS A 52 115.013 -13.756 -7.789 1.00 0.00 H new ATOM 0 HD2 HIS A 52 116.315 -15.327 -6.342 1.00 0.00 H new ATOM 0 HE1 HIS A 52 116.346 -13.395 -2.543 1.00 0.00 H new ATOM 0 HE2 HIS A 52 117.134 -15.409 -3.922 1.00 0.00 H new ATOM 829 N ASN A 53 113.359 -11.009 -9.007 1.00 0.00 N ATOM 830 CA ASN A 53 112.861 -10.690 -10.381 1.00 0.00 C ATOM 831 C ASN A 53 113.614 -9.479 -10.928 1.00 0.00 C ATOM 832 O ASN A 53 113.981 -9.435 -12.085 1.00 0.00 O ATOM 833 CB ASN A 53 111.379 -10.365 -10.205 1.00 0.00 C ATOM 834 CG ASN A 53 110.777 -9.976 -11.558 1.00 0.00 C ATOM 835 OD1 ASN A 53 111.483 -9.867 -12.541 1.00 0.00 O ATOM 836 ND2 ASN A 53 109.493 -9.759 -11.650 1.00 0.00 N ATOM 0 H ASN A 53 112.657 -10.961 -8.269 1.00 0.00 H new ATOM 0 HA ASN A 53 113.011 -11.512 -11.081 1.00 0.00 H new ATOM 0 HB2 ASN A 53 110.853 -11.227 -9.795 1.00 0.00 H new ATOM 0 HB3 ASN A 53 111.257 -9.549 -9.493 1.00 0.00 H new ATOM 0 HD21 ASN A 53 109.083 -9.498 -12.547 1.00 0.00 H new ATOM 0 HD22 ASN A 53 108.900 -9.850 -10.825 1.00 0.00 H new ATOM 843 N LEU A 54 113.877 -8.505 -10.098 1.00 0.00 N ATOM 844 CA LEU A 54 114.640 -7.312 -10.568 1.00 0.00 C ATOM 845 C LEU A 54 116.152 -7.620 -10.600 1.00 0.00 C ATOM 846 O LEU A 54 116.959 -6.759 -10.881 1.00 0.00 O ATOM 847 CB LEU A 54 114.328 -6.215 -9.550 1.00 0.00 C ATOM 848 CG LEU A 54 112.845 -5.849 -9.633 1.00 0.00 C ATOM 849 CD1 LEU A 54 112.469 -4.957 -8.449 1.00 0.00 C ATOM 850 CD2 LEU A 54 112.575 -5.098 -10.939 1.00 0.00 C ATOM 0 H LEU A 54 113.597 -8.484 -9.117 1.00 0.00 H new ATOM 0 HA LEU A 54 114.362 -7.015 -11.579 1.00 0.00 H new ATOM 0 HB2 LEU A 54 114.573 -6.557 -8.544 1.00 0.00 H new ATOM 0 HB3 LEU A 54 114.942 -5.336 -9.747 1.00 0.00 H new ATOM 0 HG LEU A 54 112.248 -6.760 -9.606 1.00 0.00 H new ATOM 0 HD11 LEU A 54 111.412 -4.697 -8.510 1.00 0.00 H new ATOM 0 HD12 LEU A 54 112.658 -5.490 -7.517 1.00 0.00 H new ATOM 0 HD13 LEU A 54 113.068 -4.047 -8.474 1.00 0.00 H new ATOM 0 HD21 LEU A 54 111.518 -4.838 -10.997 1.00 0.00 H new ATOM 0 HD22 LEU A 54 113.175 -4.188 -10.966 1.00 0.00 H new ATOM 0 HD23 LEU A 54 112.839 -5.732 -11.785 1.00 0.00 H new ATOM 862 N LYS A 55 116.542 -8.849 -10.334 1.00 0.00 N ATOM 863 CA LYS A 55 117.983 -9.220 -10.372 1.00 0.00 C ATOM 864 C LYS A 55 118.824 -8.336 -9.453 1.00 0.00 C ATOM 865 O LYS A 55 119.966 -8.046 -9.743 1.00 0.00 O ATOM 866 CB LYS A 55 118.403 -9.047 -11.833 1.00 0.00 C ATOM 867 CG LYS A 55 117.604 -10.004 -12.730 1.00 0.00 C ATOM 868 CD LYS A 55 117.950 -11.455 -12.379 1.00 0.00 C ATOM 869 CE LYS A 55 117.160 -12.408 -13.278 1.00 0.00 C ATOM 870 NZ LYS A 55 117.572 -13.769 -12.834 1.00 0.00 N1+ ATOM 0 H LYS A 55 115.911 -9.612 -10.091 1.00 0.00 H new ATOM 0 HA LYS A 55 118.138 -10.239 -10.017 1.00 0.00 H new ATOM 0 HB2 LYS A 55 118.236 -8.017 -12.148 1.00 0.00 H new ATOM 0 HB3 LYS A 55 119.470 -9.243 -11.938 1.00 0.00 H new ATOM 0 HG2 LYS A 55 116.535 -9.833 -12.599 1.00 0.00 H new ATOM 0 HG3 LYS A 55 117.831 -9.810 -13.778 1.00 0.00 H new ATOM 0 HD2 LYS A 55 119.019 -11.624 -12.505 1.00 0.00 H new ATOM 0 HD3 LYS A 55 117.717 -11.651 -11.332 1.00 0.00 H new ATOM 0 HE2 LYS A 55 116.086 -12.262 -13.164 1.00 0.00 H new ATOM 0 HE3 LYS A 55 117.394 -12.246 -14.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 117.075 -14.485 -13.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 118.598 -13.879 -12.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 117.331 -13.894 -11.830 1.00 0.00 H new ATOM 884 N MET A 56 118.284 -7.913 -8.340 1.00 0.00 N ATOM 885 CA MET A 56 119.093 -7.060 -7.414 1.00 0.00 C ATOM 886 C MET A 56 120.271 -7.864 -6.844 1.00 0.00 C ATOM 887 O MET A 56 121.176 -7.308 -6.256 1.00 0.00 O ATOM 888 CB MET A 56 118.149 -6.623 -6.306 1.00 0.00 C ATOM 889 CG MET A 56 117.204 -5.543 -6.816 1.00 0.00 C ATOM 890 SD MET A 56 116.054 -5.094 -5.493 1.00 0.00 S ATOM 891 CE MET A 56 117.253 -4.268 -4.420 1.00 0.00 C ATOM 0 H MET A 56 117.333 -8.116 -8.033 1.00 0.00 H new ATOM 0 HA MET A 56 119.516 -6.197 -7.929 1.00 0.00 H new ATOM 0 HB2 MET A 56 117.576 -7.478 -5.948 1.00 0.00 H new ATOM 0 HB3 MET A 56 118.721 -6.245 -5.459 1.00 0.00 H new ATOM 0 HG2 MET A 56 117.770 -4.668 -7.136 1.00 0.00 H new ATOM 0 HG3 MET A 56 116.655 -5.903 -7.686 1.00 0.00 H new ATOM 0 HE1 MET A 56 116.725 -3.694 -3.658 1.00 0.00 H new ATOM 0 HE2 MET A 56 117.885 -5.014 -3.939 1.00 0.00 H new ATOM 0 HE3 MET A 56 117.872 -3.597 -5.015 1.00 0.00 H new ATOM 901 N ASP A 57 120.291 -9.158 -7.035 1.00 0.00 N ATOM 902 CA ASP A 57 121.439 -9.962 -6.529 1.00 0.00 C ATOM 903 C ASP A 57 122.654 -9.800 -7.458 1.00 0.00 C ATOM 904 O ASP A 57 123.701 -10.369 -7.222 1.00 0.00 O ATOM 905 CB ASP A 57 120.934 -11.402 -6.532 1.00 0.00 C ATOM 906 CG ASP A 57 119.876 -11.582 -5.437 1.00 0.00 C ATOM 907 OD1 ASP A 57 119.783 -10.721 -4.574 1.00 0.00 O1- ATOM 908 OD2 ASP A 57 119.176 -12.578 -5.479 1.00 0.00 O ATOM 0 H ASP A 57 119.565 -9.689 -7.517 1.00 0.00 H new ATOM 0 HA ASP A 57 121.766 -9.649 -5.537 1.00 0.00 H new ATOM 0 HB2 ASP A 57 120.509 -11.646 -7.505 1.00 0.00 H new ATOM 0 HB3 ASP A 57 121.764 -12.089 -6.365 1.00 0.00 H new ATOM 913 N ASN A 58 122.535 -9.014 -8.505 1.00 0.00 N ATOM 914 CA ASN A 58 123.680 -8.798 -9.428 1.00 0.00 C ATOM 915 C ASN A 58 124.712 -7.875 -8.777 1.00 0.00 C ATOM 916 O ASN A 58 124.994 -6.802 -9.271 1.00 0.00 O ATOM 917 CB ASN A 58 123.063 -8.103 -10.642 1.00 0.00 C ATOM 918 CG ASN A 58 124.079 -8.076 -11.781 1.00 0.00 C ATOM 919 OD1 ASN A 58 125.231 -8.405 -11.588 1.00 0.00 O ATOM 920 ND2 ASN A 58 123.699 -7.693 -12.967 1.00 0.00 N ATOM 0 H ASN A 58 121.683 -8.512 -8.755 1.00 0.00 H new ATOM 0 HA ASN A 58 124.188 -9.727 -9.685 1.00 0.00 H new ATOM 0 HB2 ASN A 58 122.161 -8.629 -10.957 1.00 0.00 H new ATOM 0 HB3 ASN A 58 122.765 -7.087 -10.381 1.00 0.00 H new ATOM 0 HD21 ASN A 58 124.370 -7.669 -13.735 1.00 0.00 H new ATOM 0 HD22 ASN A 58 122.730 -7.417 -13.128 1.00 0.00 H new ATOM 927 N THR A 59 125.289 -8.285 -7.680 1.00 0.00 N ATOM 928 CA THR A 59 126.313 -7.425 -7.022 1.00 0.00 C ATOM 929 C THR A 59 127.516 -8.279 -6.613 1.00 0.00 C ATOM 930 O THR A 59 127.396 -9.452 -6.320 1.00 0.00 O ATOM 931 CB THR A 59 125.619 -6.817 -5.803 1.00 0.00 C ATOM 932 OG1 THR A 59 125.128 -7.858 -4.977 1.00 0.00 O ATOM 933 CG2 THR A 59 124.454 -5.937 -6.257 1.00 0.00 C ATOM 0 H THR A 59 125.097 -9.172 -7.214 1.00 0.00 H new ATOM 0 HA THR A 59 126.690 -6.644 -7.682 1.00 0.00 H new ATOM 0 HB THR A 59 126.332 -6.210 -5.246 1.00 0.00 H new ATOM 0 HG1 THR A 59 124.684 -7.472 -4.193 1.00 0.00 H new ATOM 0 HG21 THR A 59 123.962 -5.506 -5.385 1.00 0.00 H new ATOM 0 HG22 THR A 59 124.830 -5.137 -6.895 1.00 0.00 H new ATOM 0 HG23 THR A 59 123.738 -6.540 -6.816 1.00 0.00 H new ATOM 941 N LYS A 60 128.680 -7.691 -6.628 1.00 0.00 N ATOM 942 CA LYS A 60 129.918 -8.444 -6.281 1.00 0.00 C ATOM 943 C LYS A 60 129.920 -8.919 -4.823 1.00 0.00 C ATOM 944 O LYS A 60 130.326 -10.026 -4.530 1.00 0.00 O ATOM 945 CB LYS A 60 131.057 -7.455 -6.537 1.00 0.00 C ATOM 946 CG LYS A 60 131.166 -7.194 -8.043 1.00 0.00 C ATOM 947 CD LYS A 60 132.311 -6.219 -8.326 1.00 0.00 C ATOM 948 CE LYS A 60 132.394 -5.962 -9.834 1.00 0.00 C ATOM 949 NZ LYS A 60 133.536 -5.020 -10.005 1.00 0.00 N1+ ATOM 0 H LYS A 60 128.828 -6.711 -6.868 1.00 0.00 H new ATOM 0 HA LYS A 60 130.010 -9.353 -6.875 1.00 0.00 H new ATOM 0 HB2 LYS A 60 130.871 -6.521 -6.006 1.00 0.00 H new ATOM 0 HB3 LYS A 60 131.996 -7.856 -6.156 1.00 0.00 H new ATOM 0 HG2 LYS A 60 131.338 -8.132 -8.571 1.00 0.00 H new ATOM 0 HG3 LYS A 60 130.228 -6.784 -8.418 1.00 0.00 H new ATOM 0 HD2 LYS A 60 132.146 -5.282 -7.794 1.00 0.00 H new ATOM 0 HD3 LYS A 60 133.253 -6.630 -7.963 1.00 0.00 H new ATOM 0 HE2 LYS A 60 132.562 -6.889 -10.383 1.00 0.00 H new ATOM 0 HE3 LYS A 60 131.467 -5.531 -10.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 133.654 -4.797 -11.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 133.346 -4.144 -9.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 134.406 -5.460 -9.643 1.00 0.00 H new ATOM 963 N LEU A 61 129.474 -8.102 -3.904 1.00 0.00 N ATOM 964 CA LEU A 61 129.463 -8.539 -2.476 1.00 0.00 C ATOM 965 C LEU A 61 128.073 -9.034 -2.051 1.00 0.00 C ATOM 966 O LEU A 61 127.884 -9.425 -0.918 1.00 0.00 O ATOM 967 CB LEU A 61 129.848 -7.311 -1.650 1.00 0.00 C ATOM 968 CG LEU A 61 131.259 -6.845 -2.010 1.00 0.00 C ATOM 969 CD1 LEU A 61 131.564 -5.545 -1.256 1.00 0.00 C ATOM 970 CD2 LEU A 61 132.273 -7.919 -1.605 1.00 0.00 C ATOM 0 H LEU A 61 129.120 -7.161 -4.077 1.00 0.00 H new ATOM 0 HA LEU A 61 130.155 -9.368 -2.327 1.00 0.00 H new ATOM 0 HB2 LEU A 61 129.136 -6.506 -1.830 1.00 0.00 H new ATOM 0 HB3 LEU A 61 129.797 -7.549 -0.588 1.00 0.00 H new ATOM 0 HG LEU A 61 131.326 -6.674 -3.084 1.00 0.00 H new ATOM 0 HD11 LEU A 61 132.569 -5.206 -1.507 1.00 0.00 H new ATOM 0 HD12 LEU A 61 130.841 -4.781 -1.541 1.00 0.00 H new ATOM 0 HD13 LEU A 61 131.499 -5.723 -0.183 1.00 0.00 H new ATOM 0 HD21 LEU A 61 133.278 -7.586 -1.862 1.00 0.00 H new ATOM 0 HD22 LEU A 61 132.211 -8.091 -0.530 1.00 0.00 H new ATOM 0 HD23 LEU A 61 132.052 -8.846 -2.134 1.00 0.00 H new ATOM 982 N GLN A 62 127.105 -9.015 -2.941 1.00 0.00 N ATOM 983 CA GLN A 62 125.729 -9.493 -2.588 1.00 0.00 C ATOM 984 C GLN A 62 125.161 -8.712 -1.404 1.00 0.00 C ATOM 985 O GLN A 62 124.611 -9.256 -0.466 1.00 0.00 O ATOM 986 CB GLN A 62 125.885 -10.976 -2.235 1.00 0.00 C ATOM 987 CG GLN A 62 126.325 -11.751 -3.476 1.00 0.00 C ATOM 988 CD GLN A 62 126.587 -13.207 -3.090 1.00 0.00 C ATOM 989 OE1 GLN A 62 126.317 -13.608 -1.975 1.00 0.00 O ATOM 990 NE2 GLN A 62 127.113 -14.018 -3.965 1.00 0.00 N ATOM 0 H GLN A 62 127.211 -8.687 -3.901 1.00 0.00 H new ATOM 0 HA GLN A 62 125.033 -9.345 -3.414 1.00 0.00 H new ATOM 0 HB2 GLN A 62 126.620 -11.096 -1.439 1.00 0.00 H new ATOM 0 HB3 GLN A 62 124.941 -11.373 -1.861 1.00 0.00 H new ATOM 0 HG2 GLN A 62 125.554 -11.699 -4.245 1.00 0.00 H new ATOM 0 HG3 GLN A 62 127.226 -11.306 -3.897 1.00 0.00 H new ATOM 0 HE21 GLN A 62 127.340 -13.681 -4.901 1.00 0.00 H new ATOM 0 HE22 GLN A 62 127.298 -14.989 -3.714 1.00 0.00 H new ATOM 999 N ASN A 63 125.317 -7.420 -1.475 1.00 0.00 N ATOM 1000 CA ASN A 63 124.831 -6.500 -0.410 1.00 0.00 C ATOM 1001 C ASN A 63 123.793 -5.518 -0.962 1.00 0.00 C ATOM 1002 O ASN A 63 123.902 -4.319 -0.791 1.00 0.00 O ATOM 1003 CB ASN A 63 126.079 -5.748 0.074 1.00 0.00 C ATOM 1004 CG ASN A 63 126.781 -5.098 -1.123 1.00 0.00 C ATOM 1005 OD1 ASN A 63 126.200 -4.968 -2.182 1.00 0.00 O ATOM 1006 ND2 ASN A 63 128.011 -4.680 -0.998 1.00 0.00 N ATOM 0 H ASN A 63 125.777 -6.949 -2.254 1.00 0.00 H new ATOM 0 HA ASN A 63 124.341 -7.044 0.397 1.00 0.00 H new ATOM 0 HB2 ASN A 63 125.798 -4.987 0.802 1.00 0.00 H new ATOM 0 HB3 ASN A 63 126.758 -6.436 0.578 1.00 0.00 H new ATOM 0 HD21 ASN A 63 128.484 -4.244 -1.789 1.00 0.00 H new ATOM 0 HD22 ASN A 63 128.499 -4.789 -0.109 1.00 0.00 H new ATOM 1013 N GLY A 64 122.769 -6.026 -1.590 1.00 0.00 N ATOM 1014 CA GLY A 64 121.696 -5.138 -2.124 1.00 0.00 C ATOM 1015 C GLY A 64 120.494 -5.175 -1.174 1.00 0.00 C ATOM 1016 O GLY A 64 120.152 -6.210 -0.635 1.00 0.00 O ATOM 0 H GLY A 64 122.628 -7.022 -1.757 1.00 0.00 H new ATOM 0 HA2 GLY A 64 122.067 -4.118 -2.222 1.00 0.00 H new ATOM 0 HA3 GLY A 64 121.398 -5.466 -3.120 1.00 0.00 H new ATOM 1020 N VAL A 65 119.852 -4.056 -0.955 1.00 0.00 N ATOM 1021 CA VAL A 65 118.679 -4.048 -0.030 1.00 0.00 C ATOM 1022 C VAL A 65 117.451 -3.458 -0.732 1.00 0.00 C ATOM 1023 O VAL A 65 117.528 -2.448 -1.400 1.00 0.00 O ATOM 1024 CB VAL A 65 119.122 -3.173 1.147 1.00 0.00 C ATOM 1025 CG1 VAL A 65 117.947 -2.897 2.087 1.00 0.00 C ATOM 1026 CG2 VAL A 65 120.224 -3.893 1.912 1.00 0.00 C ATOM 0 H VAL A 65 120.086 -3.155 -1.372 1.00 0.00 H new ATOM 0 HA VAL A 65 118.392 -5.048 0.295 1.00 0.00 H new ATOM 0 HB VAL A 65 119.489 -2.221 0.763 1.00 0.00 H new ATOM 0 HG11 VAL A 65 118.283 -2.274 2.916 1.00 0.00 H new ATOM 0 HG12 VAL A 65 117.158 -2.380 1.541 1.00 0.00 H new ATOM 0 HG13 VAL A 65 117.562 -3.840 2.475 1.00 0.00 H new ATOM 0 HG21 VAL A 65 120.546 -3.277 2.752 1.00 0.00 H new ATOM 0 HG22 VAL A 65 119.846 -4.845 2.284 1.00 0.00 H new ATOM 0 HG23 VAL A 65 121.070 -4.072 1.249 1.00 0.00 H new ATOM 1036 N LEU A 66 116.319 -4.093 -0.589 1.00 0.00 N ATOM 1037 CA LEU A 66 115.081 -3.585 -1.249 1.00 0.00 C ATOM 1038 C LEU A 66 114.036 -3.211 -0.197 1.00 0.00 C ATOM 1039 O LEU A 66 113.777 -3.961 0.726 1.00 0.00 O ATOM 1040 CB LEU A 66 114.570 -4.779 -2.048 1.00 0.00 C ATOM 1041 CG LEU A 66 113.380 -4.367 -2.921 1.00 0.00 C ATOM 1042 CD1 LEU A 66 113.828 -3.352 -3.975 1.00 0.00 C ATOM 1043 CD2 LEU A 66 112.813 -5.607 -3.619 1.00 0.00 C ATOM 0 H LEU A 66 116.198 -4.945 -0.041 1.00 0.00 H new ATOM 0 HA LEU A 66 115.271 -2.701 -1.858 1.00 0.00 H new ATOM 0 HB2 LEU A 66 115.369 -5.174 -2.675 1.00 0.00 H new ATOM 0 HB3 LEU A 66 114.272 -5.578 -1.369 1.00 0.00 H new ATOM 0 HG LEU A 66 112.615 -3.913 -2.292 1.00 0.00 H new ATOM 0 HD11 LEU A 66 112.975 -3.066 -4.590 1.00 0.00 H new ATOM 0 HD12 LEU A 66 114.232 -2.468 -3.481 1.00 0.00 H new ATOM 0 HD13 LEU A 66 114.597 -3.798 -4.606 1.00 0.00 H new ATOM 0 HD21 LEU A 66 111.966 -5.319 -4.241 1.00 0.00 H new ATOM 0 HD22 LEU A 66 113.585 -6.058 -4.243 1.00 0.00 H new ATOM 0 HD23 LEU A 66 112.484 -6.328 -2.870 1.00 0.00 H new ATOM 1055 N ILE A 67 113.427 -2.067 -0.339 1.00 0.00 N ATOM 1056 CA ILE A 67 112.392 -1.677 0.660 1.00 0.00 C ATOM 1057 C ILE A 67 111.004 -1.797 0.032 1.00 0.00 C ATOM 1058 O ILE A 67 110.628 -1.019 -0.819 1.00 0.00 O ATOM 1059 CB ILE A 67 112.708 -0.231 1.042 1.00 0.00 C ATOM 1060 CG1 ILE A 67 114.125 -0.153 1.611 1.00 0.00 C ATOM 1061 CG2 ILE A 67 111.713 0.249 2.098 1.00 0.00 C ATOM 1062 CD1 ILE A 67 114.500 1.311 1.841 1.00 0.00 C ATOM 0 H ILE A 67 113.596 -1.396 -1.088 1.00 0.00 H new ATOM 0 HA ILE A 67 112.400 -2.319 1.541 1.00 0.00 H new ATOM 0 HB ILE A 67 112.633 0.401 0.157 1.00 0.00 H new ATOM 0 HG12 ILE A 67 114.183 -0.706 2.548 1.00 0.00 H new ATOM 0 HG13 ILE A 67 114.831 -0.617 0.922 1.00 0.00 H new ATOM 0 HG21 ILE A 67 111.940 1.280 2.369 1.00 0.00 H new ATOM 0 HG22 ILE A 67 110.701 0.193 1.696 1.00 0.00 H new ATOM 0 HG23 ILE A 67 111.788 -0.384 2.982 1.00 0.00 H new ATOM 0 HD11 ILE A 67 115.510 1.368 2.247 1.00 0.00 H new ATOM 0 HD12 ILE A 67 114.458 1.850 0.895 1.00 0.00 H new ATOM 0 HD13 ILE A 67 113.800 1.760 2.546 1.00 0.00 H new ATOM 1074 N TYR A 68 110.237 -2.770 0.444 1.00 0.00 N ATOM 1075 CA TYR A 68 108.878 -2.936 -0.144 1.00 0.00 C ATOM 1076 C TYR A 68 107.836 -2.250 0.736 1.00 0.00 C ATOM 1077 O TYR A 68 107.640 -2.605 1.881 1.00 0.00 O ATOM 1078 CB TYR A 68 108.633 -4.444 -0.156 1.00 0.00 C ATOM 1079 CG TYR A 68 107.285 -4.725 -0.776 1.00 0.00 C ATOM 1080 CD1 TYR A 68 106.138 -4.754 0.027 1.00 0.00 C ATOM 1081 CD2 TYR A 68 107.179 -4.946 -2.155 1.00 0.00 C ATOM 1082 CE1 TYR A 68 104.886 -5.007 -0.548 1.00 0.00 C ATOM 1083 CE2 TYR A 68 105.927 -5.198 -2.729 1.00 0.00 C ATOM 1084 CZ TYR A 68 104.782 -5.228 -1.925 1.00 0.00 C ATOM 1085 OH TYR A 68 103.548 -5.476 -2.493 1.00 0.00 O ATOM 0 H TYR A 68 110.491 -3.453 1.158 1.00 0.00 H new ATOM 0 HA TYR A 68 108.807 -2.496 -1.139 1.00 0.00 H new ATOM 0 HB2 TYR A 68 109.418 -4.947 -0.721 1.00 0.00 H new ATOM 0 HB3 TYR A 68 108.668 -4.838 0.860 1.00 0.00 H new ATOM 0 HD1 TYR A 68 106.219 -4.581 1.090 1.00 0.00 H new ATOM 0 HD2 TYR A 68 108.063 -4.922 -2.775 1.00 0.00 H new ATOM 0 HE1 TYR A 68 104.002 -5.031 0.072 1.00 0.00 H new ATOM 0 HE2 TYR A 68 105.845 -5.369 -3.792 1.00 0.00 H new ATOM 0 HH TYR A 68 103.069 -4.630 -2.617 1.00 0.00 H new ATOM 1095 N VAL A 69 107.168 -1.268 0.204 1.00 0.00 N ATOM 1096 CA VAL A 69 106.140 -0.551 1.002 1.00 0.00 C ATOM 1097 C VAL A 69 104.758 -0.708 0.356 1.00 0.00 C ATOM 1098 O VAL A 69 104.559 -0.415 -0.806 1.00 0.00 O ATOM 1099 CB VAL A 69 106.591 0.925 0.981 1.00 0.00 C ATOM 1100 CG1 VAL A 69 105.485 1.837 1.540 1.00 0.00 C ATOM 1101 CG2 VAL A 69 107.850 1.090 1.835 1.00 0.00 C ATOM 0 H VAL A 69 107.290 -0.931 -0.751 1.00 0.00 H new ATOM 0 HA VAL A 69 106.053 -0.939 2.017 1.00 0.00 H new ATOM 0 HB VAL A 69 106.799 1.207 -0.051 1.00 0.00 H new ATOM 0 HG11 VAL A 69 105.822 2.873 1.517 1.00 0.00 H new ATOM 0 HG12 VAL A 69 104.586 1.734 0.932 1.00 0.00 H new ATOM 0 HG13 VAL A 69 105.262 1.551 2.568 1.00 0.00 H new ATOM 0 HG21 VAL A 69 108.167 2.133 1.819 1.00 0.00 H new ATOM 0 HG22 VAL A 69 107.635 0.792 2.861 1.00 0.00 H new ATOM 0 HG23 VAL A 69 108.646 0.463 1.434 1.00 0.00 H new ATOM 1111 N ALA A 70 103.797 -1.124 1.131 1.00 0.00 N ATOM 1112 CA ALA A 70 102.411 -1.259 0.615 1.00 0.00 C ATOM 1113 C ALA A 70 101.647 0.018 0.956 1.00 0.00 C ATOM 1114 O ALA A 70 101.039 0.124 2.000 1.00 0.00 O ATOM 1115 CB ALA A 70 101.818 -2.446 1.374 1.00 0.00 C ATOM 0 H ALA A 70 103.916 -1.379 2.111 1.00 0.00 H new ATOM 0 HA ALA A 70 102.366 -1.411 -0.463 1.00 0.00 H new ATOM 0 HB1 ALA A 70 100.791 -2.610 1.048 1.00 0.00 H new ATOM 0 HB2 ALA A 70 102.410 -3.339 1.173 1.00 0.00 H new ATOM 0 HB3 ALA A 70 101.829 -2.236 2.444 1.00 0.00 H new ATOM 1121 N VAL A 71 101.695 1.003 0.103 1.00 0.00 N ATOM 1122 CA VAL A 71 100.995 2.280 0.415 1.00 0.00 C ATOM 1123 C VAL A 71 99.495 2.043 0.633 1.00 0.00 C ATOM 1124 O VAL A 71 98.844 2.806 1.320 1.00 0.00 O ATOM 1125 CB VAL A 71 101.257 3.198 -0.781 1.00 0.00 C ATOM 1126 CG1 VAL A 71 100.747 2.543 -2.065 1.00 0.00 C ATOM 1127 CG2 VAL A 71 100.533 4.531 -0.570 1.00 0.00 C ATOM 0 H VAL A 71 102.185 0.980 -0.791 1.00 0.00 H new ATOM 0 HA VAL A 71 101.361 2.728 1.339 1.00 0.00 H new ATOM 0 HB VAL A 71 102.330 3.371 -0.868 1.00 0.00 H new ATOM 0 HG11 VAL A 71 100.938 3.203 -2.911 1.00 0.00 H new ATOM 0 HG12 VAL A 71 101.264 1.596 -2.220 1.00 0.00 H new ATOM 0 HG13 VAL A 71 99.675 2.362 -1.980 1.00 0.00 H new ATOM 0 HG21 VAL A 71 100.719 5.185 -1.422 1.00 0.00 H new ATOM 0 HG22 VAL A 71 99.462 4.352 -0.477 1.00 0.00 H new ATOM 0 HG23 VAL A 71 100.902 5.005 0.339 1.00 0.00 H new ATOM 1137 N GLU A 72 98.939 0.988 0.092 1.00 0.00 N ATOM 1138 CA GLU A 72 97.487 0.727 0.329 1.00 0.00 C ATOM 1139 C GLU A 72 97.282 0.373 1.807 1.00 0.00 C ATOM 1140 O GLU A 72 96.341 0.816 2.434 1.00 0.00 O ATOM 1141 CB GLU A 72 97.143 -0.463 -0.567 1.00 0.00 C ATOM 1142 CG GLU A 72 95.652 -0.786 -0.470 1.00 0.00 C ATOM 1143 CD GLU A 72 94.817 0.367 -1.038 1.00 0.00 C ATOM 1144 OE1 GLU A 72 95.400 1.302 -1.565 1.00 0.00 O ATOM 1145 OE2 GLU A 72 93.605 0.290 -0.940 1.00 0.00 O1- ATOM 0 H GLU A 72 99.419 0.306 -0.495 1.00 0.00 H new ATOM 0 HA GLU A 72 96.856 1.586 0.103 1.00 0.00 H new ATOM 0 HB2 GLU A 72 97.407 -0.237 -1.600 1.00 0.00 H new ATOM 0 HB3 GLU A 72 97.730 -1.332 -0.271 1.00 0.00 H new ATOM 0 HG2 GLU A 72 95.436 -1.704 -1.017 1.00 0.00 H new ATOM 0 HG3 GLU A 72 95.379 -0.963 0.570 1.00 0.00 H new ATOM 1152 N ASP A 73 98.154 -0.425 2.371 1.00 0.00 N ATOM 1153 CA ASP A 73 98.002 -0.801 3.811 1.00 0.00 C ATOM 1154 C ASP A 73 99.014 -0.049 4.694 1.00 0.00 C ATOM 1155 O ASP A 73 99.156 -0.339 5.865 1.00 0.00 O ATOM 1156 CB ASP A 73 98.277 -2.305 3.853 1.00 0.00 C ATOM 1157 CG ASP A 73 97.904 -2.856 5.233 1.00 0.00 C ATOM 1158 OD1 ASP A 73 97.061 -2.261 5.881 1.00 0.00 O1- ATOM 1159 OD2 ASP A 73 98.476 -3.865 5.617 1.00 0.00 O ATOM 0 H ASP A 73 98.962 -0.831 1.899 1.00 0.00 H new ATOM 0 HA ASP A 73 97.013 -0.545 4.192 1.00 0.00 H new ATOM 0 HB2 ASP A 73 97.700 -2.812 3.079 1.00 0.00 H new ATOM 0 HB3 ASP A 73 99.329 -2.499 3.645 1.00 0.00 H new ATOM 1164 N LYS A 74 99.723 0.905 4.148 1.00 0.00 N ATOM 1165 CA LYS A 74 100.725 1.659 4.960 1.00 0.00 C ATOM 1166 C LYS A 74 101.674 0.688 5.675 1.00 0.00 C ATOM 1167 O LYS A 74 101.965 0.836 6.845 1.00 0.00 O ATOM 1168 CB LYS A 74 99.913 2.462 5.980 1.00 0.00 C ATOM 1169 CG LYS A 74 100.831 3.465 6.696 1.00 0.00 C ATOM 1170 CD LYS A 74 100.015 4.309 7.668 1.00 0.00 C ATOM 1171 CE LYS A 74 100.935 5.320 8.349 1.00 0.00 C ATOM 1172 NZ LYS A 74 100.043 6.131 9.223 1.00 0.00 N1+ ATOM 0 H LYS A 74 99.651 1.195 3.173 1.00 0.00 H new ATOM 0 HA LYS A 74 101.341 2.308 4.337 1.00 0.00 H new ATOM 0 HB2 LYS A 74 99.101 2.990 5.479 1.00 0.00 H new ATOM 0 HB3 LYS A 74 99.456 1.790 6.706 1.00 0.00 H new ATOM 0 HG2 LYS A 74 101.617 2.934 7.233 1.00 0.00 H new ATOM 0 HG3 LYS A 74 101.322 4.108 5.966 1.00 0.00 H new ATOM 0 HD2 LYS A 74 99.216 4.826 7.137 1.00 0.00 H new ATOM 0 HD3 LYS A 74 99.541 3.671 8.414 1.00 0.00 H new ATOM 0 HE2 LYS A 74 101.708 4.819 8.932 1.00 0.00 H new ATOM 0 HE3 LYS A 74 101.444 5.946 7.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 100.606 6.848 9.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 99.321 6.602 8.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 99.578 5.510 9.916 1.00 0.00 H new ATOM 1186 N THR A 75 102.161 -0.305 4.987 1.00 0.00 N ATOM 1187 CA THR A 75 103.092 -1.271 5.645 1.00 0.00 C ATOM 1188 C THR A 75 104.411 -1.296 4.878 1.00 0.00 C ATOM 1189 O THR A 75 104.478 -0.906 3.731 1.00 0.00 O ATOM 1190 CB THR A 75 102.391 -2.631 5.578 1.00 0.00 C ATOM 1191 OG1 THR A 75 102.295 -3.039 4.211 1.00 0.00 O ATOM 1192 CG2 THR A 75 100.992 -2.510 6.189 1.00 0.00 C ATOM 0 H THR A 75 101.959 -0.492 4.005 1.00 0.00 H new ATOM 0 HA THR A 75 103.318 -1.001 6.677 1.00 0.00 H new ATOM 0 HB THR A 75 102.961 -3.373 6.137 1.00 0.00 H new ATOM 0 HG1 THR A 75 101.849 -3.910 4.160 1.00 0.00 H new ATOM 0 HG21 THR A 75 100.490 -3.476 6.143 1.00 0.00 H new ATOM 0 HG22 THR A 75 101.075 -2.193 7.229 1.00 0.00 H new ATOM 0 HG23 THR A 75 100.414 -1.774 5.631 1.00 0.00 H new ATOM 1200 N PHE A 76 105.467 -1.737 5.505 1.00 0.00 N ATOM 1201 CA PHE A 76 106.785 -1.769 4.816 1.00 0.00 C ATOM 1202 C PHE A 76 107.560 -3.034 5.205 1.00 0.00 C ATOM 1203 O PHE A 76 107.447 -3.533 6.307 1.00 0.00 O ATOM 1204 CB PHE A 76 107.515 -0.520 5.330 1.00 0.00 C ATOM 1205 CG PHE A 76 107.719 -0.628 6.825 1.00 0.00 C ATOM 1206 CD1 PHE A 76 106.726 -0.184 7.701 1.00 0.00 C ATOM 1207 CD2 PHE A 76 108.898 -1.192 7.327 1.00 0.00 C ATOM 1208 CE1 PHE A 76 106.911 -0.299 9.083 1.00 0.00 C ATOM 1209 CE2 PHE A 76 109.083 -1.309 8.708 1.00 0.00 C ATOM 1210 CZ PHE A 76 108.090 -0.862 9.587 1.00 0.00 C ATOM 0 H PHE A 76 105.472 -2.077 6.467 1.00 0.00 H new ATOM 0 HA PHE A 76 106.687 -1.780 3.730 1.00 0.00 H new ATOM 0 HB2 PHE A 76 108.477 -0.417 4.828 1.00 0.00 H new ATOM 0 HB3 PHE A 76 106.936 0.374 5.096 1.00 0.00 H new ATOM 0 HD1 PHE A 76 105.816 0.248 7.312 1.00 0.00 H new ATOM 0 HD2 PHE A 76 109.664 -1.536 6.648 1.00 0.00 H new ATOM 0 HE1 PHE A 76 106.145 0.046 9.761 1.00 0.00 H new ATOM 0 HE2 PHE A 76 109.992 -1.744 9.096 1.00 0.00 H new ATOM 0 HZ PHE A 76 108.233 -0.951 10.654 1.00 0.00 H new ATOM 1220 N VAL A 77 108.353 -3.539 4.311 1.00 0.00 N ATOM 1221 CA VAL A 77 109.152 -4.753 4.619 1.00 0.00 C ATOM 1222 C VAL A 77 110.588 -4.532 4.143 1.00 0.00 C ATOM 1223 O VAL A 77 110.806 -4.022 3.062 1.00 0.00 O ATOM 1224 CB VAL A 77 108.471 -5.869 3.827 1.00 0.00 C ATOM 1225 CG1 VAL A 77 109.317 -7.145 3.882 1.00 0.00 C ATOM 1226 CG2 VAL A 77 107.096 -6.138 4.436 1.00 0.00 C ATOM 0 H VAL A 77 108.484 -3.162 3.373 1.00 0.00 H new ATOM 0 HA VAL A 77 109.197 -4.990 5.682 1.00 0.00 H new ATOM 0 HB VAL A 77 108.364 -5.564 2.786 1.00 0.00 H new ATOM 0 HG11 VAL A 77 108.823 -7.934 3.315 1.00 0.00 H new ATOM 0 HG12 VAL A 77 110.299 -6.949 3.452 1.00 0.00 H new ATOM 0 HG13 VAL A 77 109.432 -7.461 4.919 1.00 0.00 H new ATOM 0 HG21 VAL A 77 106.600 -6.933 3.879 1.00 0.00 H new ATOM 0 HG22 VAL A 77 107.212 -6.442 5.476 1.00 0.00 H new ATOM 0 HG23 VAL A 77 106.493 -5.231 4.388 1.00 0.00 H new ATOM 1236 N ILE A 78 111.573 -4.910 4.918 1.00 0.00 N ATOM 1237 CA ILE A 78 112.976 -4.707 4.458 1.00 0.00 C ATOM 1238 C ILE A 78 113.655 -6.058 4.223 1.00 0.00 C ATOM 1239 O ILE A 78 113.652 -6.930 5.070 1.00 0.00 O ATOM 1240 CB ILE A 78 113.667 -3.935 5.579 1.00 0.00 C ATOM 1241 CG1 ILE A 78 112.913 -2.628 5.834 1.00 0.00 C ATOM 1242 CG2 ILE A 78 115.099 -3.610 5.151 1.00 0.00 C ATOM 1243 CD1 ILE A 78 113.465 -1.962 7.094 1.00 0.00 C ATOM 0 H ILE A 78 111.468 -5.344 5.835 1.00 0.00 H new ATOM 0 HA ILE A 78 113.024 -4.163 3.515 1.00 0.00 H new ATOM 0 HB ILE A 78 113.677 -4.536 6.488 1.00 0.00 H new ATOM 0 HG12 ILE A 78 113.021 -1.960 4.979 1.00 0.00 H new ATOM 0 HG13 ILE A 78 111.848 -2.827 5.951 1.00 0.00 H new ATOM 0 HG21 ILE A 78 115.600 -3.058 5.946 1.00 0.00 H new ATOM 0 HG22 ILE A 78 115.639 -4.536 4.956 1.00 0.00 H new ATOM 0 HG23 ILE A 78 115.079 -3.004 4.245 1.00 0.00 H new ATOM 0 HD11 ILE A 78 112.929 -1.031 7.278 1.00 0.00 H new ATOM 0 HD12 ILE A 78 113.334 -2.630 7.946 1.00 0.00 H new ATOM 0 HD13 ILE A 78 114.526 -1.750 6.959 1.00 0.00 H new ATOM 1255 N TYR A 79 114.227 -6.233 3.066 1.00 0.00 N ATOM 1256 CA TYR A 79 114.905 -7.521 2.745 1.00 0.00 C ATOM 1257 C TYR A 79 116.263 -7.266 2.087 1.00 0.00 C ATOM 1258 O TYR A 79 116.345 -6.736 0.996 1.00 0.00 O ATOM 1259 CB TYR A 79 113.958 -8.226 1.773 1.00 0.00 C ATOM 1260 CG TYR A 79 114.506 -9.593 1.440 1.00 0.00 C ATOM 1261 CD1 TYR A 79 114.516 -10.596 2.416 1.00 0.00 C ATOM 1262 CD2 TYR A 79 115.007 -9.857 0.158 1.00 0.00 C ATOM 1263 CE1 TYR A 79 115.025 -11.863 2.113 1.00 0.00 C ATOM 1264 CE2 TYR A 79 115.517 -11.125 -0.143 1.00 0.00 C ATOM 1265 CZ TYR A 79 115.527 -12.127 0.833 1.00 0.00 C ATOM 1266 OH TYR A 79 116.029 -13.378 0.534 1.00 0.00 O ATOM 0 H TYR A 79 114.255 -5.535 2.323 1.00 0.00 H new ATOM 0 HA TYR A 79 115.101 -8.118 3.636 1.00 0.00 H new ATOM 0 HB2 TYR A 79 112.967 -8.318 2.216 1.00 0.00 H new ATOM 0 HB3 TYR A 79 113.847 -7.635 0.864 1.00 0.00 H new ATOM 0 HD1 TYR A 79 114.130 -10.391 3.404 1.00 0.00 H new ATOM 0 HD2 TYR A 79 115.000 -9.084 -0.596 1.00 0.00 H new ATOM 0 HE1 TYR A 79 115.031 -12.637 2.866 1.00 0.00 H new ATOM 0 HE2 TYR A 79 115.903 -11.330 -1.130 1.00 0.00 H new ATOM 0 HH TYR A 79 116.336 -13.394 -0.397 1.00 0.00 H new ATOM 1276 N GLY A 80 117.330 -7.637 2.742 1.00 0.00 N ATOM 1277 CA GLY A 80 118.681 -7.415 2.155 1.00 0.00 C ATOM 1278 C GLY A 80 119.182 -8.716 1.530 1.00 0.00 C ATOM 1279 O GLY A 80 118.581 -9.762 1.673 1.00 0.00 O ATOM 0 H GLY A 80 117.324 -8.084 3.659 1.00 0.00 H new ATOM 0 HA2 GLY A 80 118.637 -6.629 1.401 1.00 0.00 H new ATOM 0 HA3 GLY A 80 119.374 -7.078 2.926 1.00 0.00 H new ATOM 1283 N ASP A 81 120.277 -8.652 0.822 1.00 0.00 N ATOM 1284 CA ASP A 81 120.816 -9.880 0.170 1.00 0.00 C ATOM 1285 C ASP A 81 121.483 -10.789 1.201 1.00 0.00 C ATOM 1286 O ASP A 81 121.671 -10.425 2.344 1.00 0.00 O ATOM 1287 CB ASP A 81 121.839 -9.386 -0.856 1.00 0.00 C ATOM 1288 CG ASP A 81 121.109 -8.854 -2.087 1.00 0.00 C ATOM 1289 OD1 ASP A 81 119.981 -9.260 -2.295 1.00 0.00 O1- ATOM 1290 OD2 ASP A 81 121.698 -8.066 -2.809 1.00 0.00 O ATOM 0 H ASP A 81 120.821 -7.803 0.667 1.00 0.00 H new ATOM 0 HA ASP A 81 120.026 -10.466 -0.300 1.00 0.00 H new ATOM 0 HB2 ASP A 81 122.458 -8.602 -0.420 1.00 0.00 H new ATOM 0 HB3 ASP A 81 122.507 -10.199 -1.139 1.00 0.00 H new ATOM 1295 N LYS A 82 121.840 -11.973 0.795 1.00 0.00 N ATOM 1296 CA LYS A 82 122.495 -12.924 1.733 1.00 0.00 C ATOM 1297 C LYS A 82 123.785 -12.317 2.297 1.00 0.00 C ATOM 1298 O LYS A 82 124.230 -12.665 3.373 1.00 0.00 O ATOM 1299 CB LYS A 82 122.807 -14.156 0.886 1.00 0.00 C ATOM 1300 CG LYS A 82 121.506 -14.855 0.478 1.00 0.00 C ATOM 1301 CD LYS A 82 121.845 -16.064 -0.397 1.00 0.00 C ATOM 1302 CE LYS A 82 120.565 -16.804 -0.792 1.00 0.00 C ATOM 1303 NZ LYS A 82 121.036 -17.957 -1.610 1.00 0.00 N1+ ATOM 0 H LYS A 82 121.705 -12.326 -0.153 1.00 0.00 H new ATOM 0 HA LYS A 82 121.862 -13.163 2.588 1.00 0.00 H new ATOM 0 HB2 LYS A 82 123.367 -13.864 -0.003 1.00 0.00 H new ATOM 0 HB3 LYS A 82 123.438 -14.844 1.449 1.00 0.00 H new ATOM 0 HG2 LYS A 82 120.956 -15.173 1.363 1.00 0.00 H new ATOM 0 HG3 LYS A 82 120.862 -14.164 -0.067 1.00 0.00 H new ATOM 0 HD2 LYS A 82 122.376 -15.738 -1.291 1.00 0.00 H new ATOM 0 HD3 LYS A 82 122.512 -16.737 0.142 1.00 0.00 H new ATOM 0 HE2 LYS A 82 120.014 -17.140 0.086 1.00 0.00 H new ATOM 0 HE3 LYS A 82 119.895 -16.161 -1.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 120.218 -18.518 -1.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 121.552 -17.605 -2.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 121.667 -18.554 -1.038 1.00 0.00 H new ATOM 1317 N GLY A 83 124.395 -11.419 1.565 1.00 0.00 N ATOM 1318 CA GLY A 83 125.666 -10.799 2.044 1.00 0.00 C ATOM 1319 C GLY A 83 125.409 -9.950 3.291 1.00 0.00 C ATOM 1320 O GLY A 83 126.033 -10.146 4.322 1.00 0.00 O ATOM 0 H GLY A 83 124.067 -11.089 0.657 1.00 0.00 H new ATOM 0 HA2 GLY A 83 126.395 -11.577 2.270 1.00 0.00 H new ATOM 0 HA3 GLY A 83 126.095 -10.179 1.257 1.00 0.00 H new ATOM 1324 N ILE A 84 124.478 -9.032 3.232 1.00 0.00 N ATOM 1325 CA ILE A 84 124.186 -8.216 4.441 1.00 0.00 C ATOM 1326 C ILE A 84 123.665 -9.155 5.526 1.00 0.00 C ATOM 1327 O ILE A 84 124.043 -9.064 6.665 1.00 0.00 O ATOM 1328 CB ILE A 84 123.125 -7.213 3.983 1.00 0.00 C ATOM 1329 CG1 ILE A 84 123.767 -6.224 3.015 1.00 0.00 C ATOM 1330 CG2 ILE A 84 122.550 -6.451 5.172 1.00 0.00 C ATOM 1331 CD1 ILE A 84 122.675 -5.422 2.323 1.00 0.00 C ATOM 0 H ILE A 84 123.916 -8.816 2.409 1.00 0.00 H new ATOM 0 HA ILE A 84 125.049 -7.693 4.854 1.00 0.00 H new ATOM 0 HB ILE A 84 122.315 -7.754 3.494 1.00 0.00 H new ATOM 0 HG12 ILE A 84 124.441 -5.556 3.552 1.00 0.00 H new ATOM 0 HG13 ILE A 84 124.367 -6.756 2.277 1.00 0.00 H new ATOM 0 HG21 ILE A 84 121.798 -5.744 4.822 1.00 0.00 H new ATOM 0 HG22 ILE A 84 122.091 -7.154 5.867 1.00 0.00 H new ATOM 0 HG23 ILE A 84 123.349 -5.910 5.678 1.00 0.00 H new ATOM 0 HD11 ILE A 84 123.128 -4.713 1.630 1.00 0.00 H new ATOM 0 HD12 ILE A 84 122.019 -6.098 1.774 1.00 0.00 H new ATOM 0 HD13 ILE A 84 122.094 -4.879 3.069 1.00 0.00 H new ATOM 1343 N ASN A 85 122.780 -10.044 5.187 1.00 0.00 N ATOM 1344 CA ASN A 85 122.216 -10.960 6.219 1.00 0.00 C ATOM 1345 C ASN A 85 123.305 -11.843 6.838 1.00 0.00 C ATOM 1346 O ASN A 85 123.273 -12.141 8.017 1.00 0.00 O ATOM 1347 CB ASN A 85 121.191 -11.807 5.469 1.00 0.00 C ATOM 1348 CG ASN A 85 119.984 -10.941 5.104 1.00 0.00 C ATOM 1349 OD1 ASN A 85 119.704 -9.960 5.764 1.00 0.00 O ATOM 1350 ND2 ASN A 85 119.257 -11.259 4.068 1.00 0.00 N ATOM 0 H ASN A 85 122.421 -10.179 4.242 1.00 0.00 H new ATOM 0 HA ASN A 85 121.772 -10.410 7.049 1.00 0.00 H new ATOM 0 HB2 ASN A 85 121.638 -12.225 4.567 1.00 0.00 H new ATOM 0 HB3 ASN A 85 120.876 -12.648 6.087 1.00 0.00 H new ATOM 0 HD21 ASN A 85 118.454 -10.684 3.813 1.00 0.00 H new ATOM 0 HD22 ASN A 85 119.492 -12.082 3.514 1.00 0.00 H new ATOM 1357 N ASP A 86 124.260 -12.276 6.065 1.00 0.00 N ATOM 1358 CA ASP A 86 125.331 -13.148 6.626 1.00 0.00 C ATOM 1359 C ASP A 86 126.270 -12.368 7.563 1.00 0.00 C ATOM 1360 O ASP A 86 126.916 -12.945 8.416 1.00 0.00 O ATOM 1361 CB ASP A 86 126.098 -13.663 5.402 1.00 0.00 C ATOM 1362 CG ASP A 86 127.179 -14.664 5.835 1.00 0.00 C ATOM 1363 OD1 ASP A 86 127.320 -14.888 7.028 1.00 0.00 O1- ATOM 1364 OD2 ASP A 86 127.841 -15.203 4.963 1.00 0.00 O ATOM 0 H ASP A 86 124.346 -12.065 5.071 1.00 0.00 H new ATOM 0 HA ASP A 86 124.913 -13.954 7.229 1.00 0.00 H new ATOM 0 HB2 ASP A 86 125.408 -14.140 4.706 1.00 0.00 H new ATOM 0 HB3 ASP A 86 126.557 -12.827 4.873 1.00 0.00 H new ATOM 1369 N VAL A 87 126.376 -11.068 7.408 1.00 0.00 N ATOM 1370 CA VAL A 87 127.310 -10.301 8.299 1.00 0.00 C ATOM 1371 C VAL A 87 126.574 -9.479 9.373 1.00 0.00 C ATOM 1372 O VAL A 87 127.188 -9.048 10.332 1.00 0.00 O ATOM 1373 CB VAL A 87 128.093 -9.376 7.362 1.00 0.00 C ATOM 1374 CG1 VAL A 87 128.818 -10.213 6.308 1.00 0.00 C ATOM 1375 CG2 VAL A 87 127.134 -8.409 6.671 1.00 0.00 C ATOM 0 H VAL A 87 125.868 -10.513 6.719 1.00 0.00 H new ATOM 0 HA VAL A 87 127.953 -10.985 8.853 1.00 0.00 H new ATOM 0 HB VAL A 87 128.821 -8.809 7.942 1.00 0.00 H new ATOM 0 HG11 VAL A 87 129.375 -9.555 5.641 1.00 0.00 H new ATOM 0 HG12 VAL A 87 129.507 -10.900 6.800 1.00 0.00 H new ATOM 0 HG13 VAL A 87 128.089 -10.782 5.731 1.00 0.00 H new ATOM 0 HG21 VAL A 87 127.695 -7.753 6.006 1.00 0.00 H new ATOM 0 HG22 VAL A 87 126.403 -8.973 6.092 1.00 0.00 H new ATOM 0 HG23 VAL A 87 126.618 -7.810 7.421 1.00 0.00 H new ATOM 1385 N VAL A 88 125.288 -9.238 9.245 1.00 0.00 N ATOM 1386 CA VAL A 88 124.595 -8.422 10.301 1.00 0.00 C ATOM 1387 C VAL A 88 123.520 -9.230 11.038 1.00 0.00 C ATOM 1388 O VAL A 88 123.081 -10.269 10.584 1.00 0.00 O ATOM 1389 CB VAL A 88 123.959 -7.233 9.577 1.00 0.00 C ATOM 1390 CG1 VAL A 88 125.030 -6.474 8.794 1.00 0.00 C ATOM 1391 CG2 VAL A 88 122.869 -7.727 8.633 1.00 0.00 C ATOM 0 H VAL A 88 124.700 -9.561 8.477 1.00 0.00 H new ATOM 0 HA VAL A 88 125.310 -8.103 11.059 1.00 0.00 H new ATOM 0 HB VAL A 88 123.513 -6.561 10.310 1.00 0.00 H new ATOM 0 HG11 VAL A 88 124.574 -5.628 8.280 1.00 0.00 H new ATOM 0 HG12 VAL A 88 125.795 -6.112 9.481 1.00 0.00 H new ATOM 0 HG13 VAL A 88 125.486 -7.140 8.062 1.00 0.00 H new ATOM 0 HG21 VAL A 88 122.419 -6.877 8.120 1.00 0.00 H new ATOM 0 HG22 VAL A 88 123.304 -8.405 7.899 1.00 0.00 H new ATOM 0 HG23 VAL A 88 122.104 -8.252 9.204 1.00 0.00 H new ATOM 1401 N SER A 89 123.118 -8.758 12.183 1.00 0.00 N ATOM 1402 CA SER A 89 122.096 -9.488 12.989 1.00 0.00 C ATOM 1403 C SER A 89 120.749 -8.750 13.006 1.00 0.00 C ATOM 1404 O SER A 89 120.621 -7.641 12.512 1.00 0.00 O ATOM 1405 CB SER A 89 122.688 -9.542 14.397 1.00 0.00 C ATOM 1406 OG SER A 89 121.671 -9.903 15.322 1.00 0.00 O ATOM 0 H SER A 89 123.455 -7.891 12.601 1.00 0.00 H new ATOM 0 HA SER A 89 121.890 -10.475 12.575 1.00 0.00 H new ATOM 0 HB2 SER A 89 123.502 -10.266 14.434 1.00 0.00 H new ATOM 0 HB3 SER A 89 123.110 -8.573 14.663 1.00 0.00 H new ATOM 0 HG SER A 89 122.049 -9.939 16.226 1.00 0.00 H new ATOM 1412 N ASP A 90 119.748 -9.351 13.588 1.00 0.00 N ATOM 1413 CA ASP A 90 118.415 -8.687 13.654 1.00 0.00 C ATOM 1414 C ASP A 90 118.516 -7.377 14.445 1.00 0.00 C ATOM 1415 O ASP A 90 117.874 -6.399 14.112 1.00 0.00 O ATOM 1416 CB ASP A 90 117.481 -9.691 14.352 1.00 0.00 C ATOM 1417 CG ASP A 90 118.040 -10.115 15.720 1.00 0.00 C ATOM 1418 OD1 ASP A 90 119.204 -9.859 15.988 1.00 0.00 O ATOM 1419 OD2 ASP A 90 117.285 -10.694 16.485 1.00 0.00 O1- ATOM 0 H ASP A 90 119.795 -10.273 14.021 1.00 0.00 H new ATOM 0 HA ASP A 90 118.038 -8.426 12.665 1.00 0.00 H new ATOM 0 HB2 ASP A 90 116.495 -9.244 14.482 1.00 0.00 H new ATOM 0 HB3 ASP A 90 117.352 -10.570 13.721 1.00 0.00 H new ATOM 1424 N ASP A 91 119.330 -7.328 15.468 1.00 0.00 N ATOM 1425 CA ASP A 91 119.469 -6.053 16.236 1.00 0.00 C ATOM 1426 C ASP A 91 120.025 -4.957 15.324 1.00 0.00 C ATOM 1427 O ASP A 91 119.577 -3.828 15.354 1.00 0.00 O ATOM 1428 CB ASP A 91 120.439 -6.356 17.380 1.00 0.00 C ATOM 1429 CG ASP A 91 119.676 -6.944 18.576 1.00 0.00 C ATOM 1430 OD1 ASP A 91 118.456 -6.983 18.524 1.00 0.00 O ATOM 1431 OD2 ASP A 91 120.329 -7.336 19.529 1.00 0.00 O1- ATOM 0 H ASP A 91 119.899 -8.106 15.803 1.00 0.00 H new ATOM 0 HA ASP A 91 118.512 -5.699 16.619 1.00 0.00 H new ATOM 0 HB2 ASP A 91 121.202 -7.059 17.044 1.00 0.00 H new ATOM 0 HB3 ASP A 91 120.955 -5.444 17.681 1.00 0.00 H new ATOM 1436 N PHE A 92 120.975 -5.285 14.488 1.00 0.00 N ATOM 1437 CA PHE A 92 121.526 -4.262 13.554 1.00 0.00 C ATOM 1438 C PHE A 92 120.419 -3.794 12.604 1.00 0.00 C ATOM 1439 O PHE A 92 120.455 -2.699 12.079 1.00 0.00 O ATOM 1440 CB PHE A 92 122.664 -4.949 12.796 1.00 0.00 C ATOM 1441 CG PHE A 92 123.213 -4.019 11.739 1.00 0.00 C ATOM 1442 CD1 PHE A 92 124.108 -3.004 12.097 1.00 0.00 C ATOM 1443 CD2 PHE A 92 122.831 -4.176 10.402 1.00 0.00 C ATOM 1444 CE1 PHE A 92 124.621 -2.145 11.116 1.00 0.00 C ATOM 1445 CE2 PHE A 92 123.342 -3.316 9.420 1.00 0.00 C ATOM 1446 CZ PHE A 92 124.238 -2.301 9.778 1.00 0.00 C ATOM 0 H PHE A 92 121.391 -6.213 14.412 1.00 0.00 H new ATOM 0 HA PHE A 92 121.897 -3.379 14.074 1.00 0.00 H new ATOM 0 HB2 PHE A 92 123.455 -5.233 13.490 1.00 0.00 H new ATOM 0 HB3 PHE A 92 122.302 -5.867 12.333 1.00 0.00 H new ATOM 0 HD1 PHE A 92 124.403 -2.883 13.129 1.00 0.00 H new ATOM 0 HD2 PHE A 92 122.142 -4.961 10.126 1.00 0.00 H new ATOM 0 HE1 PHE A 92 125.312 -1.362 11.392 1.00 0.00 H new ATOM 0 HE2 PHE A 92 123.045 -3.436 8.389 1.00 0.00 H new ATOM 0 HZ PHE A 92 124.634 -1.639 9.022 1.00 0.00 H new ATOM 1456 N TRP A 93 119.438 -4.628 12.383 1.00 0.00 N ATOM 1457 CA TRP A 93 118.319 -4.254 11.472 1.00 0.00 C ATOM 1458 C TRP A 93 117.222 -3.495 12.235 1.00 0.00 C ATOM 1459 O TRP A 93 116.429 -2.768 11.668 1.00 0.00 O ATOM 1460 CB TRP A 93 117.789 -5.596 10.972 1.00 0.00 C ATOM 1461 CG TRP A 93 118.416 -5.913 9.657 1.00 0.00 C ATOM 1462 CD1 TRP A 93 119.726 -6.189 9.460 1.00 0.00 C ATOM 1463 CD2 TRP A 93 117.782 -5.991 8.353 1.00 0.00 C ATOM 1464 NE1 TRP A 93 119.933 -6.424 8.110 1.00 0.00 N ATOM 1465 CE2 TRP A 93 118.765 -6.315 7.389 1.00 0.00 C ATOM 1466 CE3 TRP A 93 116.462 -5.810 7.917 1.00 0.00 C ATOM 1467 CZ2 TRP A 93 118.448 -6.455 6.039 1.00 0.00 C ATOM 1468 CZ3 TRP A 93 116.139 -5.950 6.561 1.00 0.00 C ATOM 1469 CH2 TRP A 93 117.128 -6.271 5.625 1.00 0.00 C ATOM 0 H TRP A 93 119.364 -5.557 12.797 1.00 0.00 H new ATOM 0 HA TRP A 93 118.640 -3.596 10.665 1.00 0.00 H new ATOM 0 HB2 TRP A 93 118.014 -6.381 11.694 1.00 0.00 H new ATOM 0 HB3 TRP A 93 116.704 -5.557 10.871 1.00 0.00 H new ATOM 0 HD1 TRP A 93 120.485 -6.221 10.228 1.00 0.00 H new ATOM 0 HE1 TRP A 93 120.840 -6.650 7.701 1.00 0.00 H new ATOM 0 HE3 TRP A 93 115.690 -5.561 8.630 1.00 0.00 H new ATOM 0 HZ2 TRP A 93 119.216 -6.703 5.321 1.00 0.00 H new ATOM 0 HZ3 TRP A 93 115.119 -5.809 6.236 1.00 0.00 H new ATOM 0 HH2 TRP A 93 116.870 -6.376 4.582 1.00 0.00 H new ATOM 1480 N ASP A 94 117.141 -3.707 13.514 1.00 0.00 N ATOM 1481 CA ASP A 94 116.063 -3.060 14.318 1.00 0.00 C ATOM 1482 C ASP A 94 116.080 -1.533 14.198 1.00 0.00 C ATOM 1483 O ASP A 94 115.028 -0.921 14.160 1.00 0.00 O ATOM 1484 CB ASP A 94 116.335 -3.488 15.760 1.00 0.00 C ATOM 1485 CG ASP A 94 115.295 -2.872 16.706 1.00 0.00 C ATOM 1486 OD1 ASP A 94 114.469 -2.099 16.243 1.00 0.00 O ATOM 1487 OD2 ASP A 94 115.341 -3.183 17.884 1.00 0.00 O1- ATOM 0 H ASP A 94 117.776 -4.303 14.044 1.00 0.00 H new ATOM 0 HA ASP A 94 115.078 -3.366 13.965 1.00 0.00 H new ATOM 0 HB2 ASP A 94 116.306 -4.575 15.835 1.00 0.00 H new ATOM 0 HB3 ASP A 94 117.336 -3.175 16.056 1.00 0.00 H new ATOM 1492 N THR A 95 117.228 -0.898 14.161 1.00 0.00 N ATOM 1493 CA THR A 95 117.216 0.594 14.073 1.00 0.00 C ATOM 1494 C THR A 95 116.570 1.015 12.751 1.00 0.00 C ATOM 1495 O THR A 95 115.926 2.040 12.644 1.00 0.00 O ATOM 1496 CB THR A 95 118.678 1.030 14.148 1.00 0.00 C ATOM 1497 OG1 THR A 95 119.451 0.253 13.243 1.00 0.00 O ATOM 1498 CG2 THR A 95 119.196 0.836 15.573 1.00 0.00 C ATOM 0 H THR A 95 118.149 -1.335 14.187 1.00 0.00 H new ATOM 0 HA THR A 95 116.640 1.058 14.874 1.00 0.00 H new ATOM 0 HB THR A 95 118.760 2.083 13.877 1.00 0.00 H new ATOM 0 HG1 THR A 95 120.389 0.533 13.290 1.00 0.00 H new ATOM 0 HG21 THR A 95 120.239 1.147 15.626 1.00 0.00 H new ATOM 0 HG22 THR A 95 118.602 1.438 16.261 1.00 0.00 H new ATOM 0 HG23 THR A 95 119.116 -0.215 15.849 1.00 0.00 H new ATOM 1506 N THR A 96 116.748 0.200 11.749 1.00 0.00 N ATOM 1507 CA THR A 96 116.167 0.484 10.405 1.00 0.00 C ATOM 1508 C THR A 96 114.644 0.584 10.476 1.00 0.00 C ATOM 1509 O THR A 96 114.025 1.494 9.954 1.00 0.00 O ATOM 1510 CB THR A 96 116.518 -0.765 9.593 1.00 0.00 C ATOM 1511 OG1 THR A 96 117.894 -1.076 9.776 1.00 0.00 O ATOM 1512 CG2 THR A 96 116.248 -0.505 8.115 1.00 0.00 C ATOM 0 H THR A 96 117.282 -0.667 11.805 1.00 0.00 H new ATOM 0 HA THR A 96 116.543 1.419 9.990 1.00 0.00 H new ATOM 0 HB THR A 96 115.907 -1.602 9.931 1.00 0.00 H new ATOM 0 HG1 THR A 96 118.120 -1.877 9.258 1.00 0.00 H new ATOM 0 HG21 THR A 96 116.498 -1.395 7.537 1.00 0.00 H new ATOM 0 HG22 THR A 96 115.194 -0.266 7.974 1.00 0.00 H new ATOM 0 HG23 THR A 96 116.859 0.332 7.775 1.00 0.00 H new ATOM 1520 N ARG A 97 114.047 -0.382 11.123 1.00 0.00 N ATOM 1521 CA ARG A 97 112.560 -0.420 11.250 1.00 0.00 C ATOM 1522 C ARG A 97 112.026 0.698 12.151 1.00 0.00 C ATOM 1523 O ARG A 97 110.979 1.257 11.883 1.00 0.00 O ATOM 1524 CB ARG A 97 112.254 -1.782 11.876 1.00 0.00 C ATOM 1525 CG ARG A 97 112.547 -2.895 10.867 1.00 0.00 C ATOM 1526 CD ARG A 97 112.225 -4.250 11.504 1.00 0.00 C ATOM 1527 NE ARG A 97 112.534 -5.259 10.453 1.00 0.00 N ATOM 1528 CZ ARG A 97 112.066 -6.473 10.559 1.00 0.00 C ATOM 1529 NH1 ARG A 97 112.749 -7.386 11.194 1.00 0.00 N1+ ATOM 1530 NH2 ARG A 97 110.910 -6.775 10.033 1.00 0.00 N ATOM 0 H ARG A 97 114.533 -1.157 11.575 1.00 0.00 H new ATOM 0 HA ARG A 97 112.084 -0.276 10.280 1.00 0.00 H new ATOM 0 HB2 ARG A 97 112.857 -1.924 12.773 1.00 0.00 H new ATOM 0 HB3 ARG A 97 111.209 -1.824 12.184 1.00 0.00 H new ATOM 0 HG2 ARG A 97 111.950 -2.752 9.966 1.00 0.00 H new ATOM 0 HG3 ARG A 97 113.594 -2.862 10.564 1.00 0.00 H new ATOM 0 HD2 ARG A 97 112.825 -4.417 12.399 1.00 0.00 H new ATOM 0 HD3 ARG A 97 111.179 -4.304 11.807 1.00 0.00 H new ATOM 0 HE ARG A 97 113.110 -5.002 9.652 1.00 0.00 H new ATOM 0 HH11 ARG A 97 113.651 -7.152 11.609 1.00 0.00 H new ATOM 0 HH12 ARG A 97 112.381 -8.334 11.275 1.00 0.00 H new ATOM 0 HH21 ARG A 97 110.373 -6.062 9.539 1.00 0.00 H new ATOM 0 HH22 ARG A 97 110.544 -7.724 10.116 1.00 0.00 H new ATOM 1544 N ASN A 98 112.704 1.021 13.225 1.00 0.00 N ATOM 1545 CA ASN A 98 112.172 2.091 14.122 1.00 0.00 C ATOM 1546 C ASN A 98 112.131 3.438 13.392 1.00 0.00 C ATOM 1547 O ASN A 98 111.161 4.164 13.482 1.00 0.00 O ATOM 1548 CB ASN A 98 113.119 2.138 15.322 1.00 0.00 C ATOM 1549 CG ASN A 98 112.821 0.962 16.255 1.00 0.00 C ATOM 1550 OD1 ASN A 98 111.749 0.394 16.210 1.00 0.00 O ATOM 1551 ND2 ASN A 98 113.734 0.569 17.100 1.00 0.00 N ATOM 0 H ASN A 98 113.586 0.599 13.515 1.00 0.00 H new ATOM 0 HA ASN A 98 111.150 1.882 14.437 1.00 0.00 H new ATOM 0 HB2 ASN A 98 114.154 2.094 14.984 1.00 0.00 H new ATOM 0 HB3 ASN A 98 112.998 3.080 15.857 1.00 0.00 H new ATOM 0 HD21 ASN A 98 113.547 -0.216 17.724 1.00 0.00 H new ATOM 0 HD22 ASN A 98 114.634 1.047 17.137 1.00 0.00 H new ATOM 1558 N ALA A 99 113.162 3.786 12.673 1.00 0.00 N ATOM 1559 CA ALA A 99 113.156 5.094 11.947 1.00 0.00 C ATOM 1560 C ALA A 99 112.041 5.143 10.893 1.00 0.00 C ATOM 1561 O ALA A 99 111.269 6.081 10.839 1.00 0.00 O ATOM 1562 CB ALA A 99 114.525 5.160 11.268 1.00 0.00 C ATOM 0 H ALA A 99 114.006 3.226 12.555 1.00 0.00 H new ATOM 0 HA ALA A 99 112.975 5.930 12.622 1.00 0.00 H new ATOM 0 HB1 ALA A 99 114.609 6.092 10.709 1.00 0.00 H new ATOM 0 HB2 ALA A 99 115.309 5.118 12.024 1.00 0.00 H new ATOM 0 HB3 ALA A 99 114.634 4.317 10.586 1.00 0.00 H new ATOM 1568 N ILE A 100 111.943 4.141 10.062 1.00 0.00 N ATOM 1569 CA ILE A 100 110.871 4.135 9.020 1.00 0.00 C ATOM 1570 C ILE A 100 109.489 4.003 9.677 1.00 0.00 C ATOM 1571 O ILE A 100 108.543 4.664 9.295 1.00 0.00 O ATOM 1572 CB ILE A 100 111.192 2.926 8.132 1.00 0.00 C ATOM 1573 CG1 ILE A 100 112.495 3.192 7.372 1.00 0.00 C ATOM 1574 CG2 ILE A 100 110.060 2.705 7.126 1.00 0.00 C ATOM 1575 CD1 ILE A 100 113.009 1.886 6.761 1.00 0.00 C ATOM 0 H ILE A 100 112.557 3.326 10.058 1.00 0.00 H new ATOM 0 HA ILE A 100 110.843 5.058 8.441 1.00 0.00 H new ATOM 0 HB ILE A 100 111.299 2.039 8.756 1.00 0.00 H new ATOM 0 HG12 ILE A 100 112.326 3.930 6.588 1.00 0.00 H new ATOM 0 HG13 ILE A 100 113.243 3.609 8.047 1.00 0.00 H new ATOM 0 HG21 ILE A 100 110.294 1.845 6.498 1.00 0.00 H new ATOM 0 HG22 ILE A 100 109.128 2.521 7.661 1.00 0.00 H new ATOM 0 HG23 ILE A 100 109.950 3.591 6.501 1.00 0.00 H new ATOM 0 HD11 ILE A 100 113.936 2.077 6.221 1.00 0.00 H new ATOM 0 HD12 ILE A 100 113.194 1.161 7.554 1.00 0.00 H new ATOM 0 HD13 ILE A 100 112.263 1.488 6.073 1.00 0.00 H new ATOM 1587 N GLN A 101 109.367 3.150 10.657 1.00 0.00 N ATOM 1588 CA GLN A 101 108.051 2.966 11.338 1.00 0.00 C ATOM 1589 C GLN A 101 107.639 4.250 12.074 1.00 0.00 C ATOM 1590 O GLN A 101 106.487 4.637 12.068 1.00 0.00 O ATOM 1591 CB GLN A 101 108.287 1.822 12.324 1.00 0.00 C ATOM 1592 CG GLN A 101 106.984 1.479 13.049 1.00 0.00 C ATOM 1593 CD GLN A 101 107.198 0.232 13.911 1.00 0.00 C ATOM 1594 OE1 GLN A 101 108.138 -0.509 13.704 1.00 0.00 O ATOM 1595 NE2 GLN A 101 106.361 -0.033 14.877 1.00 0.00 N ATOM 0 H GLN A 101 110.124 2.570 11.018 1.00 0.00 H new ATOM 0 HA GLN A 101 107.246 2.745 10.637 1.00 0.00 H new ATOM 0 HB2 GLN A 101 108.660 0.945 11.794 1.00 0.00 H new ATOM 0 HB3 GLN A 101 109.051 2.106 13.047 1.00 0.00 H new ATOM 0 HG2 GLN A 101 106.670 2.316 13.672 1.00 0.00 H new ATOM 0 HG3 GLN A 101 106.187 1.303 12.326 1.00 0.00 H new ATOM 0 HE21 GLN A 101 105.571 0.588 15.052 1.00 0.00 H new ATOM 0 HE22 GLN A 101 106.497 -0.861 15.457 1.00 0.00 H new ATOM 1604 N LEU A 102 108.568 4.902 12.718 1.00 0.00 N ATOM 1605 CA LEU A 102 108.230 6.151 13.467 1.00 0.00 C ATOM 1606 C LEU A 102 107.705 7.238 12.521 1.00 0.00 C ATOM 1607 O LEU A 102 106.743 7.922 12.824 1.00 0.00 O ATOM 1608 CB LEU A 102 109.551 6.595 14.107 1.00 0.00 C ATOM 1609 CG LEU A 102 109.348 7.903 14.882 1.00 0.00 C ATOM 1610 CD1 LEU A 102 108.274 7.713 15.955 1.00 0.00 C ATOM 1611 CD2 LEU A 102 110.665 8.305 15.551 1.00 0.00 C ATOM 0 H LEU A 102 109.549 4.625 12.759 1.00 0.00 H new ATOM 0 HA LEU A 102 107.446 5.980 14.204 1.00 0.00 H new ATOM 0 HB2 LEU A 102 109.918 5.819 14.778 1.00 0.00 H new ATOM 0 HB3 LEU A 102 110.309 6.734 13.336 1.00 0.00 H new ATOM 0 HG LEU A 102 109.030 8.683 14.190 1.00 0.00 H new ATOM 0 HD11 LEU A 102 108.136 8.646 16.501 1.00 0.00 H new ATOM 0 HD12 LEU A 102 107.334 7.426 15.483 1.00 0.00 H new ATOM 0 HD13 LEU A 102 108.586 6.931 16.647 1.00 0.00 H new ATOM 0 HD21 LEU A 102 110.524 9.234 16.103 1.00 0.00 H new ATOM 0 HD22 LEU A 102 110.979 7.519 16.238 1.00 0.00 H new ATOM 0 HD23 LEU A 102 111.431 8.448 14.789 1.00 0.00 H new ATOM 1623 N GLN A 103 108.315 7.396 11.374 1.00 0.00 N ATOM 1624 CA GLN A 103 107.817 8.444 10.435 1.00 0.00 C ATOM 1625 C GLN A 103 106.550 7.937 9.744 1.00 0.00 C ATOM 1626 O GLN A 103 105.593 8.664 9.567 1.00 0.00 O ATOM 1627 CB GLN A 103 108.938 8.695 9.434 1.00 0.00 C ATOM 1628 CG GLN A 103 110.224 9.076 10.173 1.00 0.00 C ATOM 1629 CD GLN A 103 110.003 10.358 10.977 1.00 0.00 C ATOM 1630 OE1 GLN A 103 109.561 11.358 10.444 1.00 0.00 O ATOM 1631 NE2 GLN A 103 110.301 10.374 12.248 1.00 0.00 N ATOM 0 H GLN A 103 109.119 6.857 11.052 1.00 0.00 H new ATOM 0 HA GLN A 103 107.560 9.371 10.947 1.00 0.00 H new ATOM 0 HB2 GLN A 103 109.106 7.802 8.832 1.00 0.00 H new ATOM 0 HB3 GLN A 103 108.653 9.493 8.748 1.00 0.00 H new ATOM 0 HG2 GLN A 103 110.525 8.267 10.838 1.00 0.00 H new ATOM 0 HG3 GLN A 103 111.035 9.220 9.459 1.00 0.00 H new ATOM 0 HE21 GLN A 103 110.672 9.536 12.696 1.00 0.00 H new ATOM 0 HE22 GLN A 103 110.163 11.225 12.793 1.00 0.00 H new ATOM 1640 N PHE A 104 106.523 6.681 9.377 1.00 0.00 N ATOM 1641 CA PHE A 104 105.299 6.127 8.731 1.00 0.00 C ATOM 1642 C PHE A 104 104.124 6.309 9.683 1.00 0.00 C ATOM 1643 O PHE A 104 103.038 6.676 9.289 1.00 0.00 O ATOM 1644 CB PHE A 104 105.572 4.630 8.525 1.00 0.00 C ATOM 1645 CG PHE A 104 106.028 4.372 7.107 1.00 0.00 C ATOM 1646 CD1 PHE A 104 107.260 4.863 6.665 1.00 0.00 C ATOM 1647 CD2 PHE A 104 105.215 3.631 6.236 1.00 0.00 C ATOM 1648 CE1 PHE A 104 107.682 4.617 5.351 1.00 0.00 C ATOM 1649 CE2 PHE A 104 105.637 3.382 4.923 1.00 0.00 C ATOM 1650 CZ PHE A 104 106.871 3.876 4.481 1.00 0.00 C ATOM 0 H PHE A 104 107.291 6.020 9.496 1.00 0.00 H new ATOM 0 HA PHE A 104 105.067 6.621 7.787 1.00 0.00 H new ATOM 0 HB2 PHE A 104 106.334 4.292 9.227 1.00 0.00 H new ATOM 0 HB3 PHE A 104 104.669 4.056 8.734 1.00 0.00 H new ATOM 0 HD1 PHE A 104 107.887 5.432 7.336 1.00 0.00 H new ATOM 0 HD2 PHE A 104 104.263 3.252 6.578 1.00 0.00 H new ATOM 0 HE1 PHE A 104 108.633 4.999 5.009 1.00 0.00 H new ATOM 0 HE2 PHE A 104 105.012 2.810 4.253 1.00 0.00 H new ATOM 0 HZ PHE A 104 107.198 3.686 3.469 1.00 0.00 H new ATOM 1660 N LYS A 105 104.346 6.060 10.944 1.00 0.00 N ATOM 1661 CA LYS A 105 103.257 6.218 11.935 1.00 0.00 C ATOM 1662 C LYS A 105 102.807 7.678 12.006 1.00 0.00 C ATOM 1663 O LYS A 105 101.648 7.962 12.235 1.00 0.00 O ATOM 1664 CB LYS A 105 103.865 5.771 13.257 1.00 0.00 C ATOM 1665 CG LYS A 105 102.779 5.740 14.329 1.00 0.00 C ATOM 1666 CD LYS A 105 103.369 5.178 15.617 1.00 0.00 C ATOM 1667 CE LYS A 105 102.279 5.112 16.691 1.00 0.00 C ATOM 1668 NZ LYS A 105 102.928 4.484 17.880 1.00 0.00 N1+ ATOM 0 H LYS A 105 105.240 5.753 11.327 1.00 0.00 H new ATOM 0 HA LYS A 105 102.373 5.635 11.677 1.00 0.00 H new ATOM 0 HB2 LYS A 105 104.313 4.783 13.149 1.00 0.00 H new ATOM 0 HB3 LYS A 105 104.663 6.452 13.552 1.00 0.00 H new ATOM 0 HG2 LYS A 105 102.390 6.744 14.500 1.00 0.00 H new ATOM 0 HG3 LYS A 105 101.942 5.125 13.999 1.00 0.00 H new ATOM 0 HD2 LYS A 105 103.779 4.184 15.438 1.00 0.00 H new ATOM 0 HD3 LYS A 105 104.192 5.806 15.957 1.00 0.00 H new ATOM 0 HE2 LYS A 105 101.902 6.107 16.929 1.00 0.00 H new ATOM 0 HE3 LYS A 105 101.428 4.522 16.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 102.237 4.408 18.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 103.270 3.535 17.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 103.730 5.071 18.188 1.00 0.00 H new ATOM 1682 N GLN A 106 103.698 8.617 11.793 1.00 0.00 N ATOM 1683 CA GLN A 106 103.287 10.052 11.830 1.00 0.00 C ATOM 1684 C GLN A 106 102.594 10.431 10.515 1.00 0.00 C ATOM 1685 O GLN A 106 101.876 11.408 10.443 1.00 0.00 O ATOM 1686 CB GLN A 106 104.598 10.834 11.959 1.00 0.00 C ATOM 1687 CG GLN A 106 105.234 10.576 13.325 1.00 0.00 C ATOM 1688 CD GLN A 106 106.579 11.303 13.401 1.00 0.00 C ATOM 1689 OE1 GLN A 106 107.462 11.054 12.603 1.00 0.00 O ATOM 1690 NE2 GLN A 106 106.775 12.196 14.331 1.00 0.00 N ATOM 0 H GLN A 106 104.685 8.451 11.597 1.00 0.00 H new ATOM 0 HA GLN A 106 102.593 10.260 12.645 1.00 0.00 H new ATOM 0 HB2 GLN A 106 105.286 10.538 11.167 1.00 0.00 H new ATOM 0 HB3 GLN A 106 104.408 11.900 11.834 1.00 0.00 H new ATOM 0 HG2 GLN A 106 104.573 10.925 14.119 1.00 0.00 H new ATOM 0 HG3 GLN A 106 105.377 9.506 13.477 1.00 0.00 H new ATOM 0 HE21 GLN A 106 106.035 12.406 15.001 1.00 0.00 H new ATOM 0 HE22 GLN A 106 107.668 12.685 14.388 1.00 0.00 H new ATOM 1699 N GLY A 107 102.809 9.674 9.474 1.00 0.00 N ATOM 1700 CA GLY A 107 102.172 10.007 8.169 1.00 0.00 C ATOM 1701 C GLY A 107 103.209 10.605 7.203 1.00 0.00 C ATOM 1702 O GLY A 107 102.875 11.018 6.111 1.00 0.00 O ATOM 0 H GLY A 107 103.397 8.841 9.471 1.00 0.00 H new ATOM 0 HA2 GLY A 107 101.733 9.110 7.732 1.00 0.00 H new ATOM 0 HA3 GLY A 107 101.359 10.716 8.324 1.00 0.00 H new ATOM 1706 N ASN A 108 104.465 10.654 7.584 1.00 0.00 N ATOM 1707 CA ASN A 108 105.499 11.216 6.674 1.00 0.00 C ATOM 1708 C ASN A 108 106.317 10.085 6.045 1.00 0.00 C ATOM 1709 O ASN A 108 107.363 9.703 6.530 1.00 0.00 O ATOM 1710 CB ASN A 108 106.369 12.104 7.563 1.00 0.00 C ATOM 1711 CG ASN A 108 105.602 13.381 7.905 1.00 0.00 C ATOM 1712 OD1 ASN A 108 104.802 13.850 7.120 1.00 0.00 O ATOM 1713 ND2 ASN A 108 105.806 13.966 9.054 1.00 0.00 N ATOM 0 H ASN A 108 104.812 10.328 8.486 1.00 0.00 H new ATOM 0 HA ASN A 108 105.068 11.781 5.848 1.00 0.00 H new ATOM 0 HB2 ASN A 108 106.638 11.572 8.476 1.00 0.00 H new ATOM 0 HB3 ASN A 108 107.299 12.351 7.051 1.00 0.00 H new ATOM 0 HD21 ASN A 108 105.294 14.816 9.292 1.00 0.00 H new ATOM 0 HD22 ASN A 108 106.477 13.573 9.714 1.00 0.00 H new ATOM 1720 N PHE A 109 105.825 9.560 4.956 1.00 0.00 N ATOM 1721 CA PHE A 109 106.526 8.452 4.241 1.00 0.00 C ATOM 1722 C PHE A 109 107.910 8.892 3.749 1.00 0.00 C ATOM 1723 O PHE A 109 108.867 8.149 3.830 1.00 0.00 O ATOM 1724 CB PHE A 109 105.632 8.155 3.032 1.00 0.00 C ATOM 1725 CG PHE A 109 104.519 7.185 3.382 1.00 0.00 C ATOM 1726 CD1 PHE A 109 103.943 7.169 4.663 1.00 0.00 C ATOM 1727 CD2 PHE A 109 104.049 6.306 2.398 1.00 0.00 C ATOM 1728 CE1 PHE A 109 102.905 6.272 4.952 1.00 0.00 C ATOM 1729 CE2 PHE A 109 103.013 5.416 2.685 1.00 0.00 C ATOM 1730 CZ PHE A 109 102.442 5.397 3.959 1.00 0.00 C ATOM 0 H PHE A 109 104.951 9.857 4.523 1.00 0.00 H new ATOM 0 HA PHE A 109 106.681 7.591 4.891 1.00 0.00 H new ATOM 0 HB2 PHE A 109 105.201 9.085 2.661 1.00 0.00 H new ATOM 0 HB3 PHE A 109 106.236 7.740 2.226 1.00 0.00 H new ATOM 0 HD1 PHE A 109 104.299 7.847 5.424 1.00 0.00 H new ATOM 0 HD2 PHE A 109 104.490 6.317 1.412 1.00 0.00 H new ATOM 0 HE1 PHE A 109 102.463 6.255 5.937 1.00 0.00 H new ATOM 0 HE2 PHE A 109 102.653 4.742 1.922 1.00 0.00 H new ATOM 0 HZ PHE A 109 101.642 4.707 4.180 1.00 0.00 H new ATOM 1740 N LYS A 110 108.020 10.074 3.199 1.00 0.00 N ATOM 1741 CA LYS A 110 109.348 10.511 2.668 1.00 0.00 C ATOM 1742 C LYS A 110 110.396 10.579 3.777 1.00 0.00 C ATOM 1743 O LYS A 110 111.503 10.100 3.619 1.00 0.00 O ATOM 1744 CB LYS A 110 109.119 11.905 2.075 1.00 0.00 C ATOM 1745 CG LYS A 110 110.444 12.466 1.549 1.00 0.00 C ATOM 1746 CD LYS A 110 110.229 13.897 1.057 1.00 0.00 C ATOM 1747 CE LYS A 110 111.549 14.460 0.511 1.00 0.00 C ATOM 1748 NZ LYS A 110 111.261 15.882 0.133 1.00 0.00 N1+ ATOM 0 H LYS A 110 107.261 10.747 3.095 1.00 0.00 H new ATOM 0 HA LYS A 110 109.723 9.804 1.927 1.00 0.00 H new ATOM 0 HB2 LYS A 110 108.389 11.852 1.267 1.00 0.00 H new ATOM 0 HB3 LYS A 110 108.707 12.570 2.834 1.00 0.00 H new ATOM 0 HG2 LYS A 110 111.197 12.450 2.337 1.00 0.00 H new ATOM 0 HG3 LYS A 110 110.819 11.843 0.737 1.00 0.00 H new ATOM 0 HD2 LYS A 110 109.466 13.914 0.279 1.00 0.00 H new ATOM 0 HD3 LYS A 110 109.866 14.522 1.873 1.00 0.00 H new ATOM 0 HE2 LYS A 110 112.337 14.407 1.262 1.00 0.00 H new ATOM 0 HE3 LYS A 110 111.891 13.888 -0.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 111.799 16.130 -0.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 110.244 15.992 -0.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 111.540 16.512 0.912 1.00 0.00 H new ATOM 1762 N GLN A 111 110.078 11.192 4.879 1.00 0.00 N ATOM 1763 CA GLN A 111 111.088 11.312 5.966 1.00 0.00 C ATOM 1764 C GLN A 111 111.450 9.930 6.516 1.00 0.00 C ATOM 1765 O GLN A 111 112.594 9.667 6.829 1.00 0.00 O ATOM 1766 CB GLN A 111 110.434 12.190 7.030 1.00 0.00 C ATOM 1767 CG GLN A 111 110.220 13.597 6.468 1.00 0.00 C ATOM 1768 CD GLN A 111 109.458 14.444 7.488 1.00 0.00 C ATOM 1769 OE1 GLN A 111 108.382 14.074 7.915 1.00 0.00 O ATOM 1770 NE2 GLN A 111 109.964 15.577 7.888 1.00 0.00 N ATOM 0 H GLN A 111 109.170 11.613 5.075 1.00 0.00 H new ATOM 0 HA GLN A 111 112.023 11.750 5.616 1.00 0.00 H new ATOM 0 HB2 GLN A 111 109.480 11.760 7.336 1.00 0.00 H new ATOM 0 HB3 GLN A 111 111.064 12.233 7.919 1.00 0.00 H new ATOM 0 HG2 GLN A 111 111.181 14.059 6.241 1.00 0.00 H new ATOM 0 HG3 GLN A 111 109.662 13.546 5.533 1.00 0.00 H new ATOM 0 HE21 GLN A 111 110.867 15.887 7.529 1.00 0.00 H new ATOM 0 HE22 GLN A 111 109.457 16.153 8.560 1.00 0.00 H new ATOM 1779 N GLY A 112 110.501 9.040 6.634 1.00 0.00 N ATOM 1780 CA GLY A 112 110.830 7.683 7.160 1.00 0.00 C ATOM 1781 C GLY A 112 111.784 6.978 6.201 1.00 0.00 C ATOM 1782 O GLY A 112 112.800 6.443 6.603 1.00 0.00 O ATOM 0 H GLY A 112 109.522 9.191 6.392 1.00 0.00 H new ATOM 0 HA2 GLY A 112 111.286 7.765 8.147 1.00 0.00 H new ATOM 0 HA3 GLY A 112 109.918 7.097 7.278 1.00 0.00 H new ATOM 1786 N LEU A 113 111.469 6.963 4.935 1.00 0.00 N ATOM 1787 CA LEU A 113 112.362 6.282 3.958 1.00 0.00 C ATOM 1788 C LEU A 113 113.727 6.963 3.899 1.00 0.00 C ATOM 1789 O LEU A 113 114.752 6.310 3.889 1.00 0.00 O ATOM 1790 CB LEU A 113 111.653 6.412 2.611 1.00 0.00 C ATOM 1791 CG LEU A 113 110.412 5.525 2.601 1.00 0.00 C ATOM 1792 CD1 LEU A 113 109.570 5.837 1.361 1.00 0.00 C ATOM 1793 CD2 LEU A 113 110.849 4.060 2.567 1.00 0.00 C ATOM 0 H LEU A 113 110.634 7.392 4.536 1.00 0.00 H new ATOM 0 HA LEU A 113 112.540 5.243 4.235 1.00 0.00 H new ATOM 0 HB2 LEU A 113 111.372 7.450 2.435 1.00 0.00 H new ATOM 0 HB3 LEU A 113 112.326 6.122 1.804 1.00 0.00 H new ATOM 0 HG LEU A 113 109.817 5.712 3.495 1.00 0.00 H new ATOM 0 HD11 LEU A 113 108.683 5.203 1.354 1.00 0.00 H new ATOM 0 HD12 LEU A 113 109.267 6.884 1.381 1.00 0.00 H new ATOM 0 HD13 LEU A 113 110.159 5.647 0.464 1.00 0.00 H new ATOM 0 HD21 LEU A 113 109.968 3.418 2.560 1.00 0.00 H new ATOM 0 HD22 LEU A 113 111.439 3.877 1.669 1.00 0.00 H new ATOM 0 HD23 LEU A 113 111.452 3.840 3.448 1.00 0.00 H new ATOM 1805 N VAL A 114 113.757 8.267 3.851 1.00 0.00 N ATOM 1806 CA VAL A 114 115.070 8.963 3.782 1.00 0.00 C ATOM 1807 C VAL A 114 115.864 8.720 5.071 1.00 0.00 C ATOM 1808 O VAL A 114 117.028 8.385 5.022 1.00 0.00 O ATOM 1809 CB VAL A 114 114.731 10.447 3.588 1.00 0.00 C ATOM 1810 CG1 VAL A 114 115.997 11.310 3.703 1.00 0.00 C ATOM 1811 CG2 VAL A 114 114.120 10.646 2.197 1.00 0.00 C ATOM 0 H VAL A 114 112.937 8.874 3.857 1.00 0.00 H new ATOM 0 HA VAL A 114 115.697 8.598 2.968 1.00 0.00 H new ATOM 0 HB VAL A 114 114.024 10.748 4.361 1.00 0.00 H new ATOM 0 HG11 VAL A 114 115.736 12.359 3.563 1.00 0.00 H new ATOM 0 HG12 VAL A 114 116.441 11.175 4.689 1.00 0.00 H new ATOM 0 HG13 VAL A 114 116.713 11.009 2.939 1.00 0.00 H new ATOM 0 HG21 VAL A 114 113.877 11.699 2.054 1.00 0.00 H new ATOM 0 HG22 VAL A 114 114.835 10.332 1.437 1.00 0.00 H new ATOM 0 HG23 VAL A 114 113.212 10.049 2.110 1.00 0.00 H new ATOM 1821 N ASP A 115 115.260 8.885 6.219 1.00 0.00 N ATOM 1822 CA ASP A 115 116.023 8.660 7.486 1.00 0.00 C ATOM 1823 C ASP A 115 116.481 7.205 7.586 1.00 0.00 C ATOM 1824 O ASP A 115 117.588 6.924 8.002 1.00 0.00 O ATOM 1825 CB ASP A 115 115.055 8.990 8.623 1.00 0.00 C ATOM 1826 CG ASP A 115 115.068 10.493 8.917 1.00 0.00 C ATOM 1827 OD1 ASP A 115 115.885 11.190 8.337 1.00 0.00 O1- ATOM 1828 OD2 ASP A 115 114.260 10.921 9.726 1.00 0.00 O ATOM 0 H ASP A 115 114.285 9.162 6.336 1.00 0.00 H new ATOM 0 HA ASP A 115 116.918 9.281 7.526 1.00 0.00 H new ATOM 0 HB2 ASP A 115 114.047 8.675 8.354 1.00 0.00 H new ATOM 0 HB3 ASP A 115 115.334 8.435 9.519 1.00 0.00 H new ATOM 1833 N GLY A 116 115.646 6.277 7.214 1.00 0.00 N ATOM 1834 CA GLY A 116 116.052 4.848 7.302 1.00 0.00 C ATOM 1835 C GLY A 116 117.297 4.616 6.446 1.00 0.00 C ATOM 1836 O GLY A 116 118.219 3.934 6.847 1.00 0.00 O ATOM 0 H GLY A 116 114.706 6.444 6.855 1.00 0.00 H new ATOM 0 HA2 GLY A 116 116.256 4.580 8.339 1.00 0.00 H new ATOM 0 HA3 GLY A 116 115.239 4.207 6.961 1.00 0.00 H new ATOM 1840 N ILE A 117 117.337 5.185 5.273 1.00 0.00 N ATOM 1841 CA ILE A 117 118.530 5.000 4.403 1.00 0.00 C ATOM 1842 C ILE A 117 119.760 5.635 5.069 1.00 0.00 C ATOM 1843 O ILE A 117 120.830 5.060 5.090 1.00 0.00 O ATOM 1844 CB ILE A 117 118.174 5.703 3.090 1.00 0.00 C ATOM 1845 CG1 ILE A 117 117.040 4.932 2.405 1.00 0.00 C ATOM 1846 CG2 ILE A 117 119.390 5.730 2.163 1.00 0.00 C ATOM 1847 CD1 ILE A 117 116.506 5.743 1.221 1.00 0.00 C ATOM 0 H ILE A 117 116.597 5.768 4.881 1.00 0.00 H new ATOM 0 HA ILE A 117 118.776 3.952 4.234 1.00 0.00 H new ATOM 0 HB ILE A 117 117.862 6.726 3.302 1.00 0.00 H new ATOM 0 HG12 ILE A 117 117.402 3.963 2.061 1.00 0.00 H new ATOM 0 HG13 ILE A 117 116.238 4.738 3.117 1.00 0.00 H new ATOM 0 HG21 ILE A 117 119.127 6.232 1.232 1.00 0.00 H new ATOM 0 HG22 ILE A 117 120.205 6.268 2.647 1.00 0.00 H new ATOM 0 HG23 ILE A 117 119.706 4.709 1.948 1.00 0.00 H new ATOM 0 HD11 ILE A 117 115.700 5.192 0.736 1.00 0.00 H new ATOM 0 HD12 ILE A 117 116.127 6.701 1.577 1.00 0.00 H new ATOM 0 HD13 ILE A 117 117.310 5.914 0.505 1.00 0.00 H new ATOM 1859 N GLU A 118 119.618 6.819 5.613 1.00 0.00 N ATOM 1860 CA GLU A 118 120.783 7.487 6.273 1.00 0.00 C ATOM 1861 C GLU A 118 121.336 6.614 7.400 1.00 0.00 C ATOM 1862 O GLU A 118 122.508 6.292 7.427 1.00 0.00 O ATOM 1863 CB GLU A 118 120.217 8.784 6.845 1.00 0.00 C ATOM 1864 CG GLU A 118 119.753 9.686 5.703 1.00 0.00 C ATOM 1865 CD GLU A 118 120.956 10.122 4.871 1.00 0.00 C ATOM 1866 OE1 GLU A 118 122.059 10.076 5.389 1.00 0.00 O1- ATOM 1867 OE2 GLU A 118 120.754 10.497 3.728 1.00 0.00 O ATOM 0 H GLU A 118 118.748 7.351 5.629 1.00 0.00 H new ATOM 0 HA GLU A 118 121.602 7.661 5.575 1.00 0.00 H new ATOM 0 HB2 GLU A 118 119.383 8.566 7.512 1.00 0.00 H new ATOM 0 HB3 GLU A 118 120.976 9.293 7.439 1.00 0.00 H new ATOM 0 HG2 GLU A 118 119.037 9.155 5.075 1.00 0.00 H new ATOM 0 HG3 GLU A 118 119.239 10.560 6.103 1.00 0.00 H new ATOM 1874 N LYS A 119 120.507 6.221 8.328 1.00 0.00 N ATOM 1875 CA LYS A 119 121.005 5.365 9.439 1.00 0.00 C ATOM 1876 C LYS A 119 121.537 4.061 8.851 1.00 0.00 C ATOM 1877 O LYS A 119 122.567 3.562 9.258 1.00 0.00 O ATOM 1878 CB LYS A 119 119.798 5.129 10.348 1.00 0.00 C ATOM 1879 CG LYS A 119 119.410 6.445 11.029 1.00 0.00 C ATOM 1880 CD LYS A 119 118.194 6.214 11.928 1.00 0.00 C ATOM 1881 CE LYS A 119 117.778 7.532 12.586 1.00 0.00 C ATOM 1882 NZ LYS A 119 116.586 7.186 13.410 1.00 0.00 N1+ ATOM 0 H LYS A 119 119.515 6.454 8.365 1.00 0.00 H new ATOM 0 HA LYS A 119 121.819 5.820 10.003 1.00 0.00 H new ATOM 0 HB2 LYS A 119 118.959 4.747 9.766 1.00 0.00 H new ATOM 0 HB3 LYS A 119 120.035 4.375 11.098 1.00 0.00 H new ATOM 0 HG2 LYS A 119 120.246 6.822 11.619 1.00 0.00 H new ATOM 0 HG3 LYS A 119 119.182 7.202 10.279 1.00 0.00 H new ATOM 0 HD2 LYS A 119 117.367 5.813 11.341 1.00 0.00 H new ATOM 0 HD3 LYS A 119 118.431 5.474 12.693 1.00 0.00 H new ATOM 0 HE2 LYS A 119 118.581 7.937 13.202 1.00 0.00 H new ATOM 0 HE3 LYS A 119 117.537 8.288 11.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 116.424 7.932 14.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 115.751 7.103 12.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 116.750 6.281 13.895 1.00 0.00 H new ATOM 1896 N ALA A 120 120.865 3.524 7.873 1.00 0.00 N ATOM 1897 CA ALA A 120 121.361 2.277 7.234 1.00 0.00 C ATOM 1898 C ALA A 120 122.759 2.517 6.646 1.00 0.00 C ATOM 1899 O ALA A 120 123.635 1.690 6.745 1.00 0.00 O ATOM 1900 CB ALA A 120 120.350 1.978 6.121 1.00 0.00 C ATOM 0 H ALA A 120 119.995 3.894 7.490 1.00 0.00 H new ATOM 0 HA ALA A 120 121.447 1.448 7.937 1.00 0.00 H new ATOM 0 HB1 ALA A 120 120.644 1.068 5.597 1.00 0.00 H new ATOM 0 HB2 ALA A 120 119.360 1.842 6.556 1.00 0.00 H new ATOM 0 HB3 ALA A 120 120.327 2.810 5.418 1.00 0.00 H new ATOM 1906 N GLY A 121 122.973 3.646 6.024 1.00 0.00 N ATOM 1907 CA GLY A 121 124.311 3.925 5.418 1.00 0.00 C ATOM 1908 C GLY A 121 125.399 3.983 6.493 1.00 0.00 C ATOM 1909 O GLY A 121 126.464 3.418 6.333 1.00 0.00 O ATOM 0 H GLY A 121 122.281 4.387 5.909 1.00 0.00 H new ATOM 0 HA2 GLY A 121 124.554 3.150 4.691 1.00 0.00 H new ATOM 0 HA3 GLY A 121 124.279 4.871 4.877 1.00 0.00 H new ATOM 1913 N MET A 122 125.149 4.642 7.591 1.00 0.00 N ATOM 1914 CA MET A 122 126.186 4.704 8.662 1.00 0.00 C ATOM 1915 C MET A 122 126.378 3.318 9.282 1.00 0.00 C ATOM 1916 O MET A 122 127.490 2.842 9.432 1.00 0.00 O ATOM 1917 CB MET A 122 125.636 5.684 9.691 1.00 0.00 C ATOM 1918 CG MET A 122 126.580 5.748 10.894 1.00 0.00 C ATOM 1919 SD MET A 122 125.934 6.937 12.097 1.00 0.00 S ATOM 1920 CE MET A 122 124.455 6.003 12.568 1.00 0.00 C ATOM 0 H MET A 122 124.280 5.136 7.793 1.00 0.00 H new ATOM 0 HA MET A 122 127.158 5.021 8.283 1.00 0.00 H new ATOM 0 HB2 MET A 122 125.530 6.673 9.246 1.00 0.00 H new ATOM 0 HB3 MET A 122 124.642 5.371 10.012 1.00 0.00 H new ATOM 0 HG2 MET A 122 126.672 4.763 11.352 1.00 0.00 H new ATOM 0 HG3 MET A 122 127.578 6.044 10.572 1.00 0.00 H new ATOM 0 HE1 MET A 122 124.318 6.059 13.648 1.00 0.00 H new ATOM 0 HE2 MET A 122 123.583 6.426 12.069 1.00 0.00 H new ATOM 0 HE3 MET A 122 124.573 4.961 12.271 1.00 0.00 H new ATOM 1930 N ALA A 123 125.307 2.654 9.632 1.00 0.00 N ATOM 1931 CA ALA A 123 125.452 1.299 10.228 1.00 0.00 C ATOM 1932 C ALA A 123 126.161 0.383 9.230 1.00 0.00 C ATOM 1933 O ALA A 123 127.090 -0.320 9.570 1.00 0.00 O ATOM 1934 CB ALA A 123 124.027 0.815 10.502 1.00 0.00 C ATOM 0 H ALA A 123 124.349 2.989 9.531 1.00 0.00 H new ATOM 0 HA ALA A 123 126.044 1.304 11.143 1.00 0.00 H new ATOM 0 HB1 ALA A 123 124.060 -0.181 10.943 1.00 0.00 H new ATOM 0 HB2 ALA A 123 123.536 1.501 11.192 1.00 0.00 H new ATOM 0 HB3 ALA A 123 123.469 0.779 9.567 1.00 0.00 H new ATOM 1940 N LEU A 124 125.743 0.403 7.992 1.00 0.00 N ATOM 1941 CA LEU A 124 126.415 -0.446 6.969 1.00 0.00 C ATOM 1942 C LEU A 124 127.879 -0.020 6.835 1.00 0.00 C ATOM 1943 O LEU A 124 128.764 -0.841 6.703 1.00 0.00 O ATOM 1944 CB LEU A 124 125.664 -0.188 5.662 1.00 0.00 C ATOM 1945 CG LEU A 124 124.270 -0.816 5.733 1.00 0.00 C ATOM 1946 CD1 LEU A 124 123.469 -0.416 4.491 1.00 0.00 C ATOM 1947 CD2 LEU A 124 124.401 -2.336 5.790 1.00 0.00 C ATOM 0 H LEU A 124 124.968 0.969 7.647 1.00 0.00 H new ATOM 0 HA LEU A 124 126.400 -1.503 7.234 1.00 0.00 H new ATOM 0 HB2 LEU A 124 125.581 0.884 5.485 1.00 0.00 H new ATOM 0 HB3 LEU A 124 126.220 -0.608 4.823 1.00 0.00 H new ATOM 0 HG LEU A 124 123.754 -0.463 6.626 1.00 0.00 H new ATOM 0 HD11 LEU A 124 122.476 -0.862 4.539 1.00 0.00 H new ATOM 0 HD12 LEU A 124 123.378 0.669 4.451 1.00 0.00 H new ATOM 0 HD13 LEU A 124 123.983 -0.770 3.597 1.00 0.00 H new ATOM 0 HD21 LEU A 124 123.409 -2.785 5.841 1.00 0.00 H new ATOM 0 HD22 LEU A 124 124.915 -2.691 4.896 1.00 0.00 H new ATOM 0 HD23 LEU A 124 124.973 -2.619 6.674 1.00 0.00 H new ATOM 1959 N ALA A 125 128.139 1.260 6.851 1.00 0.00 N ATOM 1960 CA ALA A 125 129.544 1.736 6.703 1.00 0.00 C ATOM 1961 C ALA A 125 130.444 1.068 7.744 1.00 0.00 C ATOM 1962 O ALA A 125 131.604 0.803 7.495 1.00 0.00 O ATOM 1963 CB ALA A 125 129.481 3.248 6.923 1.00 0.00 C ATOM 0 H ALA A 125 127.440 1.995 6.960 1.00 0.00 H new ATOM 0 HA ALA A 125 129.962 1.490 5.727 1.00 0.00 H new ATOM 0 HB1 ALA A 125 130.481 3.671 6.829 1.00 0.00 H new ATOM 0 HB2 ALA A 125 128.826 3.697 6.177 1.00 0.00 H new ATOM 0 HB3 ALA A 125 129.091 3.455 7.920 1.00 0.00 H new ATOM 1969 N LYS A 126 129.918 0.772 8.900 1.00 0.00 N ATOM 1970 CA LYS A 126 130.744 0.096 9.946 1.00 0.00 C ATOM 1971 C LYS A 126 131.190 -1.279 9.447 1.00 0.00 C ATOM 1972 O LYS A 126 132.333 -1.670 9.588 1.00 0.00 O ATOM 1973 CB LYS A 126 129.800 -0.052 11.134 1.00 0.00 C ATOM 1974 CG LYS A 126 130.532 -0.708 12.302 1.00 0.00 C ATOM 1975 CD LYS A 126 129.588 -0.779 13.499 1.00 0.00 C ATOM 1976 CE LYS A 126 130.310 -1.420 14.684 1.00 0.00 C ATOM 1977 NZ LYS A 126 129.322 -1.382 15.798 1.00 0.00 N1+ ATOM 0 H LYS A 126 128.953 0.968 9.168 1.00 0.00 H new ATOM 0 HA LYS A 126 131.646 0.653 10.199 1.00 0.00 H new ATOM 0 HB2 LYS A 126 129.422 0.926 11.433 1.00 0.00 H new ATOM 0 HB3 LYS A 126 128.937 -0.654 10.851 1.00 0.00 H new ATOM 0 HG2 LYS A 126 130.865 -1.708 12.024 1.00 0.00 H new ATOM 0 HG3 LYS A 126 131.423 -0.135 12.558 1.00 0.00 H new ATOM 0 HD2 LYS A 126 129.247 0.221 13.766 1.00 0.00 H new ATOM 0 HD3 LYS A 126 128.702 -1.360 13.242 1.00 0.00 H new ATOM 0 HE2 LYS A 126 130.611 -2.443 14.457 1.00 0.00 H new ATOM 0 HE3 LYS A 126 131.216 -0.870 14.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 129.743 -1.805 16.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 129.059 -0.395 15.995 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 128.473 -1.919 15.528 1.00 0.00 H new ATOM 1991 N TYR A 127 130.287 -2.005 8.857 1.00 0.00 N ATOM 1992 CA TYR A 127 130.625 -3.354 8.327 1.00 0.00 C ATOM 1993 C TYR A 127 131.492 -3.229 7.074 1.00 0.00 C ATOM 1994 O TYR A 127 132.443 -3.962 6.883 1.00 0.00 O ATOM 1995 CB TYR A 127 129.275 -3.984 7.995 1.00 0.00 C ATOM 1996 CG TYR A 127 128.624 -4.462 9.269 1.00 0.00 C ATOM 1997 CD1 TYR A 127 127.894 -3.572 10.067 1.00 0.00 C ATOM 1998 CD2 TYR A 127 128.755 -5.801 9.654 1.00 0.00 C ATOM 1999 CE1 TYR A 127 127.293 -4.023 11.249 1.00 0.00 C ATOM 2000 CE2 TYR A 127 128.155 -6.252 10.835 1.00 0.00 C ATOM 2001 CZ TYR A 127 127.424 -5.364 11.633 1.00 0.00 C ATOM 2002 OH TYR A 127 126.832 -5.811 12.796 1.00 0.00 O ATOM 0 H TYR A 127 129.318 -1.719 8.717 1.00 0.00 H new ATOM 0 HA TYR A 127 131.193 -3.954 9.038 1.00 0.00 H new ATOM 0 HB2 TYR A 127 128.634 -3.257 7.495 1.00 0.00 H new ATOM 0 HB3 TYR A 127 129.409 -4.818 7.306 1.00 0.00 H new ATOM 0 HD1 TYR A 127 127.795 -2.538 9.771 1.00 0.00 H new ATOM 0 HD2 TYR A 127 129.319 -6.487 9.039 1.00 0.00 H new ATOM 0 HE1 TYR A 127 126.729 -3.337 11.864 1.00 0.00 H new ATOM 0 HE2 TYR A 127 128.256 -7.286 11.131 1.00 0.00 H new ATOM 0 HH TYR A 127 127.020 -6.766 12.913 1.00 0.00 H new ATOM 2012 N PHE A 128 131.161 -2.304 6.217 1.00 0.00 N ATOM 2013 CA PHE A 128 131.949 -2.121 4.974 1.00 0.00 C ATOM 2014 C PHE A 128 132.277 -0.634 4.785 1.00 0.00 C ATOM 2015 O PHE A 128 131.441 0.129 4.343 1.00 0.00 O ATOM 2016 CB PHE A 128 131.041 -2.630 3.858 1.00 0.00 C ATOM 2017 CG PHE A 128 130.815 -4.112 4.040 1.00 0.00 C ATOM 2018 CD1 PHE A 128 131.815 -5.023 3.677 1.00 0.00 C ATOM 2019 CD2 PHE A 128 129.607 -4.575 4.575 1.00 0.00 C ATOM 2020 CE1 PHE A 128 131.606 -6.397 3.849 1.00 0.00 C ATOM 2021 CE2 PHE A 128 129.398 -5.949 4.746 1.00 0.00 C ATOM 2022 CZ PHE A 128 130.398 -6.859 4.383 1.00 0.00 C ATOM 0 H PHE A 128 130.374 -1.665 6.328 1.00 0.00 H new ATOM 0 HA PHE A 128 132.899 -2.654 4.991 1.00 0.00 H new ATOM 0 HB2 PHE A 128 130.089 -2.100 3.877 1.00 0.00 H new ATOM 0 HB3 PHE A 128 131.495 -2.436 2.886 1.00 0.00 H new ATOM 0 HD1 PHE A 128 132.747 -4.666 3.265 1.00 0.00 H new ATOM 0 HD2 PHE A 128 128.836 -3.872 4.856 1.00 0.00 H new ATOM 0 HE1 PHE A 128 132.377 -7.100 3.570 1.00 0.00 H new ATOM 0 HE2 PHE A 128 128.466 -6.307 5.158 1.00 0.00 H new ATOM 0 HZ PHE A 128 130.237 -7.919 4.515 1.00 0.00 H new ATOM 2032 N PRO A 129 133.492 -0.262 5.131 1.00 0.00 N ATOM 2033 CA PRO A 129 133.917 1.153 4.995 1.00 0.00 C ATOM 2034 C PRO A 129 134.002 1.558 3.526 1.00 0.00 C ATOM 2035 O PRO A 129 134.261 0.751 2.654 1.00 0.00 O ATOM 2036 CB PRO A 129 135.292 1.182 5.666 1.00 0.00 C ATOM 2037 CG PRO A 129 135.792 -0.221 5.584 1.00 0.00 C ATOM 2038 CD PRO A 129 134.579 -1.107 5.660 1.00 0.00 C ATOM 0 HA PRO A 129 133.217 1.855 5.448 1.00 0.00 H new ATOM 0 HB2 PRO A 129 135.965 1.871 5.156 1.00 0.00 H new ATOM 0 HB3 PRO A 129 135.219 1.515 6.701 1.00 0.00 H new ATOM 0 HG2 PRO A 129 136.336 -0.386 4.654 1.00 0.00 H new ATOM 0 HG3 PRO A 129 136.482 -0.436 6.400 1.00 0.00 H new ATOM 0 HD2 PRO A 129 134.707 -2.012 5.066 1.00 0.00 H new ATOM 0 HD3 PRO A 129 134.378 -1.423 6.684 1.00 0.00 H new ATOM 2046 N TRP A 130 133.779 2.814 3.252 1.00 0.00 N ATOM 2047 CA TRP A 130 133.833 3.303 1.849 1.00 0.00 C ATOM 2048 C TRP A 130 135.276 3.411 1.376 1.00 0.00 C ATOM 2049 O TRP A 130 136.123 3.952 2.057 1.00 0.00 O ATOM 2050 CB TRP A 130 133.218 4.696 1.901 1.00 0.00 C ATOM 2051 CG TRP A 130 133.131 5.225 0.510 1.00 0.00 C ATOM 2052 CD1 TRP A 130 132.229 4.829 -0.418 1.00 0.00 C ATOM 2053 CD2 TRP A 130 133.964 6.231 -0.130 1.00 0.00 C ATOM 2054 NE1 TRP A 130 132.457 5.527 -1.588 1.00 0.00 N ATOM 2055 CE2 TRP A 130 133.518 6.406 -1.461 1.00 0.00 C ATOM 2056 CE3 TRP A 130 135.053 7.002 0.311 1.00 0.00 C ATOM 2057 CZ2 TRP A 130 134.133 7.312 -2.325 1.00 0.00 C ATOM 2058 CZ3 TRP A 130 135.675 7.916 -0.554 1.00 0.00 C ATOM 2059 CH2 TRP A 130 135.216 8.070 -1.870 1.00 0.00 C ATOM 0 H TRP A 130 133.560 3.527 3.948 1.00 0.00 H new ATOM 0 HA TRP A 130 133.313 2.631 1.166 1.00 0.00 H new ATOM 0 HB2 TRP A 130 132.227 4.656 2.354 1.00 0.00 H new ATOM 0 HB3 TRP A 130 133.826 5.356 2.520 1.00 0.00 H new ATOM 0 HD1 TRP A 130 131.457 4.088 -0.268 1.00 0.00 H new ATOM 0 HE1 TRP A 130 131.910 5.409 -2.441 1.00 0.00 H new ATOM 0 HE3 TRP A 130 135.414 6.891 1.323 1.00 0.00 H new ATOM 0 HZ2 TRP A 130 133.775 7.427 -3.338 1.00 0.00 H new ATOM 0 HZ3 TRP A 130 136.511 8.503 -0.204 1.00 0.00 H new ATOM 0 HH2 TRP A 130 135.699 8.774 -2.532 1.00 0.00 H new ATOM 2070 N LYS A 131 135.559 2.928 0.203 1.00 0.00 N ATOM 2071 CA LYS A 131 136.946 3.033 -0.321 1.00 0.00 C ATOM 2072 C LYS A 131 136.962 3.956 -1.545 1.00 0.00 C ATOM 2073 O LYS A 131 135.959 4.135 -2.207 1.00 0.00 O ATOM 2074 CB LYS A 131 137.348 1.603 -0.675 1.00 0.00 C ATOM 2075 CG LYS A 131 137.410 0.779 0.612 1.00 0.00 C ATOM 2076 CD LYS A 131 137.818 -0.659 0.297 1.00 0.00 C ATOM 2077 CE LYS A 131 137.836 -1.468 1.596 1.00 0.00 C ATOM 2078 NZ LYS A 131 138.289 -2.829 1.199 1.00 0.00 N1+ ATOM 0 H LYS A 131 134.892 2.466 -0.415 1.00 0.00 H new ATOM 0 HA LYS A 131 137.645 3.462 0.397 1.00 0.00 H new ATOM 0 HB2 LYS A 131 136.627 1.168 -1.368 1.00 0.00 H new ATOM 0 HB3 LYS A 131 138.316 1.595 -1.176 1.00 0.00 H new ATOM 0 HG2 LYS A 131 138.125 1.225 1.304 1.00 0.00 H new ATOM 0 HG3 LYS A 131 136.439 0.789 1.107 1.00 0.00 H new ATOM 0 HD2 LYS A 131 137.119 -1.102 -0.413 1.00 0.00 H new ATOM 0 HD3 LYS A 131 138.802 -0.677 -0.171 1.00 0.00 H new ATOM 0 HE2 LYS A 131 138.512 -1.025 2.327 1.00 0.00 H new ATOM 0 HE3 LYS A 131 136.848 -1.500 2.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 138.326 -3.441 2.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 137.622 -3.229 0.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 139.236 -2.769 0.772 1.00 0.00 H new ATOM 2092 N LYS A 132 138.073 4.585 -1.822 1.00 0.00 N ATOM 2093 CA LYS A 132 138.114 5.542 -2.970 1.00 0.00 C ATOM 2094 C LYS A 132 137.737 4.839 -4.269 1.00 0.00 C ATOM 2095 O LYS A 132 137.210 5.451 -5.179 1.00 0.00 O ATOM 2096 CB LYS A 132 139.551 6.065 -3.046 1.00 0.00 C ATOM 2097 CG LYS A 132 139.633 7.162 -4.114 1.00 0.00 C ATOM 2098 CD LYS A 132 141.077 7.654 -4.249 1.00 0.00 C ATOM 2099 CE LYS A 132 141.142 8.763 -5.309 1.00 0.00 C ATOM 2100 NZ LYS A 132 142.586 9.139 -5.412 1.00 0.00 N1+ ATOM 0 H LYS A 132 138.948 4.480 -1.309 1.00 0.00 H new ATOM 0 HA LYS A 132 137.403 6.356 -2.827 1.00 0.00 H new ATOM 0 HB2 LYS A 132 139.859 6.460 -2.078 1.00 0.00 H new ATOM 0 HB3 LYS A 132 140.234 5.252 -3.290 1.00 0.00 H new ATOM 0 HG2 LYS A 132 139.280 6.777 -5.071 1.00 0.00 H new ATOM 0 HG3 LYS A 132 138.981 7.993 -3.845 1.00 0.00 H new ATOM 0 HD2 LYS A 132 141.435 8.030 -3.291 1.00 0.00 H new ATOM 0 HD3 LYS A 132 141.729 6.828 -4.531 1.00 0.00 H new ATOM 0 HE2 LYS A 132 140.759 8.412 -6.267 1.00 0.00 H new ATOM 0 HE3 LYS A 132 140.534 9.619 -5.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 132 142.699 9.893 -6.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 132 142.923 9.478 -4.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 132 143.141 8.308 -5.699 1.00 0.00 H new ATOM 2114 N ASP A 133 138.000 3.565 -4.371 1.00 0.00 N ATOM 2115 CA ASP A 133 137.639 2.851 -5.623 1.00 0.00 C ATOM 2116 C ASP A 133 136.250 2.204 -5.516 1.00 0.00 C ATOM 2117 O ASP A 133 135.843 1.461 -6.387 1.00 0.00 O ATOM 2118 CB ASP A 133 138.733 1.808 -5.831 1.00 0.00 C ATOM 2119 CG ASP A 133 140.057 2.520 -6.118 1.00 0.00 C ATOM 2120 OD1 ASP A 133 140.013 3.656 -6.561 1.00 0.00 O ATOM 2121 OD2 ASP A 133 141.092 1.917 -5.886 1.00 0.00 O1- ATOM 0 H ASP A 133 138.444 2.996 -3.650 1.00 0.00 H new ATOM 0 HA ASP A 133 137.578 3.533 -6.471 1.00 0.00 H new ATOM 0 HB2 ASP A 133 138.828 1.181 -4.944 1.00 0.00 H new ATOM 0 HB3 ASP A 133 138.472 1.150 -6.660 1.00 0.00 H new ATOM 2126 N ASP A 134 135.521 2.482 -4.444 1.00 0.00 N ATOM 2127 CA ASP A 134 134.154 1.898 -4.254 1.00 0.00 C ATOM 2128 C ASP A 134 133.351 1.924 -5.556 1.00 0.00 C ATOM 2129 O ASP A 134 133.397 2.871 -6.318 1.00 0.00 O ATOM 2130 CB ASP A 134 133.490 2.819 -3.232 1.00 0.00 C ATOM 2131 CG ASP A 134 132.111 2.262 -2.853 1.00 0.00 C ATOM 2132 OD1 ASP A 134 131.850 1.109 -3.159 1.00 0.00 O1- ATOM 2133 OD2 ASP A 134 131.343 3.000 -2.262 1.00 0.00 O ATOM 0 H ASP A 134 135.827 3.097 -3.690 1.00 0.00 H new ATOM 0 HA ASP A 134 134.203 0.857 -3.936 1.00 0.00 H new ATOM 0 HB2 ASP A 134 134.116 2.903 -2.343 1.00 0.00 H new ATOM 0 HB3 ASP A 134 133.387 3.822 -3.645 1.00 0.00 H new ATOM 2138 N ILE A 135 132.651 0.872 -5.821 1.00 0.00 N ATOM 2139 CA ILE A 135 131.857 0.783 -7.089 1.00 0.00 C ATOM 2140 C ILE A 135 130.347 0.741 -6.819 1.00 0.00 C ATOM 2141 O ILE A 135 129.890 0.256 -5.804 1.00 0.00 O ATOM 2142 CB ILE A 135 132.313 -0.522 -7.805 1.00 0.00 C ATOM 2143 CG1 ILE A 135 132.577 -1.691 -6.814 1.00 0.00 C ATOM 2144 CG2 ILE A 135 133.603 -0.238 -8.574 1.00 0.00 C ATOM 2145 CD1 ILE A 135 131.348 -1.962 -5.939 1.00 0.00 C ATOM 0 H ILE A 135 132.586 0.054 -5.215 1.00 0.00 H new ATOM 0 HA ILE A 135 132.034 1.665 -7.704 1.00 0.00 H new ATOM 0 HB ILE A 135 131.505 -0.827 -8.470 1.00 0.00 H new ATOM 0 HG12 ILE A 135 132.837 -2.592 -7.370 1.00 0.00 H new ATOM 0 HG13 ILE A 135 133.431 -1.450 -6.182 1.00 0.00 H new ATOM 0 HG21 ILE A 135 133.932 -1.146 -9.080 1.00 0.00 H new ATOM 0 HG22 ILE A 135 133.422 0.544 -9.312 1.00 0.00 H new ATOM 0 HG23 ILE A 135 134.376 0.091 -7.879 1.00 0.00 H new ATOM 0 HD11 ILE A 135 131.562 -2.784 -5.256 1.00 0.00 H new ATOM 0 HD12 ILE A 135 131.105 -1.067 -5.365 1.00 0.00 H new ATOM 0 HD13 ILE A 135 130.502 -2.227 -6.573 1.00 0.00 H new ATOM 2157 N ASP A 136 129.558 1.284 -7.714 1.00 0.00 N ATOM 2158 CA ASP A 136 128.085 1.281 -7.490 1.00 0.00 C ATOM 2159 C ASP A 136 127.400 0.299 -8.451 1.00 0.00 C ATOM 2160 O ASP A 136 127.112 0.617 -9.588 1.00 0.00 O ATOM 2161 CB ASP A 136 127.637 2.713 -7.785 1.00 0.00 C ATOM 2162 CG ASP A 136 126.142 2.861 -7.486 1.00 0.00 C ATOM 2163 OD1 ASP A 136 125.591 1.983 -6.839 1.00 0.00 O ATOM 2164 OD2 ASP A 136 125.571 3.849 -7.916 1.00 0.00 O1- ATOM 0 H ASP A 136 129.869 1.724 -8.580 1.00 0.00 H new ATOM 0 HA ASP A 136 127.825 0.969 -6.479 1.00 0.00 H new ATOM 0 HB2 ASP A 136 128.210 3.415 -7.179 1.00 0.00 H new ATOM 0 HB3 ASP A 136 127.834 2.958 -8.829 1.00 0.00 H new ATOM 2169 N GLU A 137 127.149 -0.896 -7.991 1.00 0.00 N ATOM 2170 CA GLU A 137 126.489 -1.932 -8.843 1.00 0.00 C ATOM 2171 C GLU A 137 125.035 -1.565 -9.155 1.00 0.00 C ATOM 2172 O GLU A 137 124.512 -1.905 -10.197 1.00 0.00 O ATOM 2173 CB GLU A 137 126.506 -3.208 -7.991 1.00 0.00 C ATOM 2174 CG GLU A 137 127.948 -3.623 -7.703 1.00 0.00 C ATOM 2175 CD GLU A 137 128.619 -4.074 -9.002 1.00 0.00 C ATOM 2176 OE1 GLU A 137 127.903 -4.409 -9.931 1.00 0.00 O ATOM 2177 OE2 GLU A 137 129.837 -4.074 -9.045 1.00 0.00 O1- ATOM 0 H GLU A 137 127.376 -1.205 -7.046 1.00 0.00 H new ATOM 0 HA GLU A 137 127.004 -2.037 -9.798 1.00 0.00 H new ATOM 0 HB2 GLU A 137 125.974 -3.038 -7.055 1.00 0.00 H new ATOM 0 HB3 GLU A 137 125.985 -4.011 -8.513 1.00 0.00 H new ATOM 0 HG2 GLU A 137 128.498 -2.788 -7.268 1.00 0.00 H new ATOM 0 HG3 GLU A 137 127.966 -4.432 -6.972 1.00 0.00 H new ATOM 2184 N LEU A 138 124.370 -0.898 -8.251 1.00 0.00 N ATOM 2185 CA LEU A 138 122.945 -0.549 -8.494 1.00 0.00 C ATOM 2186 C LEU A 138 122.756 0.961 -8.723 1.00 0.00 C ATOM 2187 O LEU A 138 123.525 1.760 -8.228 1.00 0.00 O ATOM 2188 CB LEU A 138 122.205 -0.963 -7.220 1.00 0.00 C ATOM 2189 CG LEU A 138 121.960 -2.474 -7.229 1.00 0.00 C ATOM 2190 CD1 LEU A 138 121.465 -2.918 -5.851 1.00 0.00 C ATOM 2191 CD2 LEU A 138 120.902 -2.820 -8.279 1.00 0.00 C ATOM 0 H LEU A 138 124.751 -0.582 -7.359 1.00 0.00 H new ATOM 0 HA LEU A 138 122.574 -1.051 -9.387 1.00 0.00 H new ATOM 0 HB2 LEU A 138 122.790 -0.686 -6.343 1.00 0.00 H new ATOM 0 HB3 LEU A 138 121.256 -0.432 -7.151 1.00 0.00 H new ATOM 0 HG LEU A 138 122.891 -2.987 -7.469 1.00 0.00 H new ATOM 0 HD11 LEU A 138 121.290 -3.994 -5.856 1.00 0.00 H new ATOM 0 HD12 LEU A 138 122.216 -2.676 -5.099 1.00 0.00 H new ATOM 0 HD13 LEU A 138 120.535 -2.401 -5.614 1.00 0.00 H new ATOM 0 HD21 LEU A 138 120.731 -3.896 -8.282 1.00 0.00 H new ATOM 0 HD22 LEU A 138 119.971 -2.305 -8.041 1.00 0.00 H new ATOM 0 HD23 LEU A 138 121.249 -2.505 -9.263 1.00 0.00 H new ATOM 2203 N PRO A 139 121.701 1.304 -9.436 1.00 0.00 N ATOM 2204 CA PRO A 139 121.382 2.727 -9.683 1.00 0.00 C ATOM 2205 C PRO A 139 120.700 3.293 -8.437 1.00 0.00 C ATOM 2206 O PRO A 139 120.703 2.666 -7.395 1.00 0.00 O ATOM 2207 CB PRO A 139 120.428 2.679 -10.875 1.00 0.00 C ATOM 2208 CG PRO A 139 119.797 1.320 -10.832 1.00 0.00 C ATOM 2209 CD PRO A 139 120.721 0.408 -10.074 1.00 0.00 C ATOM 0 HA PRO A 139 122.247 3.358 -9.887 1.00 0.00 H new ATOM 0 HB2 PRO A 139 119.674 3.463 -10.806 1.00 0.00 H new ATOM 0 HB3 PRO A 139 120.963 2.833 -11.812 1.00 0.00 H new ATOM 0 HG2 PRO A 139 118.823 1.367 -10.346 1.00 0.00 H new ATOM 0 HG3 PRO A 139 119.632 0.943 -11.841 1.00 0.00 H new ATOM 0 HD2 PRO A 139 120.178 -0.176 -9.331 1.00 0.00 H new ATOM 0 HD3 PRO A 139 121.210 -0.301 -10.741 1.00 0.00 H new ATOM 2217 N ASN A 140 120.105 4.453 -8.510 1.00 0.00 N ATOM 2218 CA ASN A 140 119.418 5.009 -7.306 1.00 0.00 C ATOM 2219 C ASN A 140 117.947 5.321 -7.625 1.00 0.00 C ATOM 2220 O ASN A 140 117.234 5.856 -6.799 1.00 0.00 O ATOM 2221 CB ASN A 140 120.166 6.301 -6.984 1.00 0.00 C ATOM 2222 CG ASN A 140 121.611 5.979 -6.613 1.00 0.00 C ATOM 2223 OD1 ASN A 140 121.886 5.569 -5.503 1.00 0.00 O ATOM 2224 ND2 ASN A 140 122.552 6.145 -7.503 1.00 0.00 N ATOM 0 H ASN A 140 120.064 5.037 -9.345 1.00 0.00 H new ATOM 0 HA ASN A 140 119.425 4.307 -6.473 1.00 0.00 H new ATOM 0 HB2 ASN A 140 120.142 6.971 -7.844 1.00 0.00 H new ATOM 0 HB3 ASN A 140 119.676 6.821 -6.161 1.00 0.00 H new ATOM 0 HD21 ASN A 140 123.521 5.930 -7.267 1.00 0.00 H new ATOM 0 HD22 ASN A 140 122.318 6.489 -8.434 1.00 0.00 H new ATOM 2231 N THR A 141 117.488 5.018 -8.815 1.00 0.00 N ATOM 2232 CA THR A 141 116.078 5.331 -9.165 1.00 0.00 C ATOM 2233 C THR A 141 115.105 4.553 -8.280 1.00 0.00 C ATOM 2234 O THR A 141 115.476 3.629 -7.582 1.00 0.00 O ATOM 2235 CB THR A 141 115.927 4.899 -10.627 1.00 0.00 C ATOM 2236 OG1 THR A 141 116.458 3.577 -10.794 1.00 0.00 O ATOM 2237 CG2 THR A 141 116.659 5.898 -11.536 1.00 0.00 C ATOM 0 H THR A 141 118.031 4.569 -9.553 1.00 0.00 H new ATOM 0 HA THR A 141 115.853 6.387 -9.018 1.00 0.00 H new ATOM 0 HB THR A 141 114.872 4.887 -10.902 1.00 0.00 H new ATOM 0 HG1 THR A 141 116.360 3.301 -11.729 1.00 0.00 H new ATOM 0 HG21 THR A 141 116.551 5.590 -12.576 1.00 0.00 H new ATOM 0 HG22 THR A 141 116.229 6.891 -11.405 1.00 0.00 H new ATOM 0 HG23 THR A 141 117.716 5.922 -11.273 1.00 0.00 H new ATOM 2245 N ILE A 142 113.860 4.937 -8.307 1.00 0.00 N ATOM 2246 CA ILE A 142 112.833 4.251 -7.476 1.00 0.00 C ATOM 2247 C ILE A 142 112.104 3.192 -8.303 1.00 0.00 C ATOM 2248 O ILE A 142 111.750 3.417 -9.443 1.00 0.00 O ATOM 2249 CB ILE A 142 111.862 5.352 -7.053 1.00 0.00 C ATOM 2250 CG1 ILE A 142 112.600 6.393 -6.208 1.00 0.00 C ATOM 2251 CG2 ILE A 142 110.725 4.745 -6.230 1.00 0.00 C ATOM 2252 CD1 ILE A 142 111.674 7.583 -5.953 1.00 0.00 C ATOM 0 H ILE A 142 113.506 5.706 -8.876 1.00 0.00 H new ATOM 0 HA ILE A 142 113.273 3.742 -6.619 1.00 0.00 H new ATOM 0 HB ILE A 142 111.453 5.830 -7.943 1.00 0.00 H new ATOM 0 HG12 ILE A 142 112.915 5.953 -5.262 1.00 0.00 H new ATOM 0 HG13 ILE A 142 113.502 6.723 -6.723 1.00 0.00 H new ATOM 0 HG21 ILE A 142 110.033 5.532 -5.929 1.00 0.00 H new ATOM 0 HG22 ILE A 142 110.195 4.006 -6.831 1.00 0.00 H new ATOM 0 HG23 ILE A 142 111.135 4.264 -5.342 1.00 0.00 H new ATOM 0 HD11 ILE A 142 112.195 8.327 -5.351 1.00 0.00 H new ATOM 0 HD12 ILE A 142 111.381 8.026 -6.905 1.00 0.00 H new ATOM 0 HD13 ILE A 142 110.785 7.245 -5.421 1.00 0.00 H new ATOM 2264 N SER A 143 111.863 2.046 -7.736 1.00 0.00 N ATOM 2265 CA SER A 143 111.138 0.983 -8.485 1.00 0.00 C ATOM 2266 C SER A 143 109.647 1.023 -8.127 1.00 0.00 C ATOM 2267 O SER A 143 109.280 1.181 -6.981 1.00 0.00 O ATOM 2268 CB SER A 143 111.783 -0.327 -8.032 1.00 0.00 C ATOM 2269 OG SER A 143 111.020 -1.423 -8.518 1.00 0.00 O ATOM 0 H SER A 143 112.136 1.798 -6.785 1.00 0.00 H new ATOM 0 HA SER A 143 111.204 1.105 -9.566 1.00 0.00 H new ATOM 0 HB2 SER A 143 112.806 -0.389 -8.404 1.00 0.00 H new ATOM 0 HB3 SER A 143 111.837 -0.361 -6.944 1.00 0.00 H new ATOM 0 HG SER A 143 110.404 -1.728 -7.819 1.00 0.00 H new ATOM 2275 N LYS A 144 108.784 0.890 -9.097 1.00 0.00 N ATOM 2276 CA LYS A 144 107.321 0.928 -8.802 1.00 0.00 C ATOM 2277 C LYS A 144 106.627 -0.293 -9.405 1.00 0.00 C ATOM 2278 O LYS A 144 106.994 -0.765 -10.461 1.00 0.00 O ATOM 2279 CB LYS A 144 106.813 2.208 -9.466 1.00 0.00 C ATOM 2280 CG LYS A 144 107.409 3.421 -8.752 1.00 0.00 C ATOM 2281 CD LYS A 144 106.955 4.709 -9.443 1.00 0.00 C ATOM 2282 CE LYS A 144 107.593 5.907 -8.737 1.00 0.00 C ATOM 2283 NZ LYS A 144 107.093 7.105 -9.467 1.00 0.00 N1+ ATOM 0 H LYS A 144 109.026 0.757 -10.079 1.00 0.00 H new ATOM 0 HA LYS A 144 107.119 0.915 -7.731 1.00 0.00 H new ATOM 0 HB2 LYS A 144 107.091 2.219 -10.520 1.00 0.00 H new ATOM 0 HB3 LYS A 144 105.724 2.246 -9.423 1.00 0.00 H new ATOM 0 HG2 LYS A 144 107.096 3.429 -7.708 1.00 0.00 H new ATOM 0 HG3 LYS A 144 108.497 3.359 -8.758 1.00 0.00 H new ATOM 0 HD2 LYS A 144 107.244 4.694 -10.494 1.00 0.00 H new ATOM 0 HD3 LYS A 144 105.868 4.789 -9.412 1.00 0.00 H new ATOM 0 HE2 LYS A 144 107.309 5.941 -7.685 1.00 0.00 H new ATOM 0 HE3 LYS A 144 108.681 5.851 -8.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 144 107.856 7.496 -10.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 144 106.292 6.833 -10.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 144 106.782 7.824 -8.783 1.00 0.00 H new ATOM 2297 N GLY A 145 105.621 -0.808 -8.744 1.00 0.00 N ATOM 2298 CA GLY A 145 104.894 -2.005 -9.280 1.00 0.00 C ATOM 2299 C GLY A 145 104.534 -1.792 -10.758 1.00 0.00 C ATOM 2300 O GLY A 145 103.882 -0.805 -11.051 1.00 0.00 O ATOM 2301 OXT GLY A 145 104.925 -2.618 -11.565 1.00 0.00 O ATOM 0 H GLY A 145 105.269 -0.452 -7.855 1.00 0.00 H new ATOM 0 HA2 GLY A 145 105.516 -2.894 -9.175 1.00 0.00 H new ATOM 0 HA3 GLY A 145 103.988 -2.179 -8.699 1.00 0.00 H new TER 2305 GLY A 145