USER MOD reduce.3.24.130724 H: found=0, std=0, add=491, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 491 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 NoAdj : A 8 ASNHD21 : A 8 ASN OD1 : A 101 CACA :(metal ligand) USER MOD NoAdj : A 8 ASNHD22 : A 8 ASN OD1 : A 101 CACA :(metal ligand) USER MOD NoAdj : A 14 ASNHD21 : A 14 ASN OD1 : A 101 CACA :(metal ligand) USER MOD NoAdj : A 14 ASNHD22 : A 14 ASN OD1 : A 101 CACA :(metal ligand) USER MOD NoAdj : A 41 ASNHD21 : A 41 ASN OD1 : A 102 CACA :(metal ligand) USER MOD NoAdj : A 41 ASNHD22 : A 41 ASN OD1 : A 102 CACA :(metal ligand) USER MOD NoAdj : A 47 ASNHD21 : A 47 ASN OD1 : A 102 CACA :(metal ligand) USER MOD NoAdj : A 47 ASNHD22 : A 47 ASN OD1 : A 102 CACA :(metal ligand) USER MOD Single : A 0 SER OG : rot 180:sc= -0.123 USER MOD Single : A 1 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A -2 SER OG : rot 180:sc= 0 USER MOD Single : A -3 GLY N :NH3+ -121:sc= 0.155 (180deg=0) USER MOD Single : A 20 MET CE :methyl -173:sc= -0.715 (180deg=-0.794) USER MOD Single : A 21 MET CE :methyl -117:sc= -1.99 (180deg=-2.58!) USER MOD Single : A 23 GLN : amide:sc= -1.54 K(o=-1.5,f=-6.9!) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ -171:sc=-0.00621 (180deg=-0.0781) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ -109:sc= 0.987 (180deg=-0.592!) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-0.001) USER MOD Single : A 61 ASN : amide:sc= -4.4! C(o=-4.4!,f=-5.9!) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot -45:sc= 1.01 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -3 -1.131 10.057 19.557 1.00 0.00 N ATOM 2 CA GLY A -3 -0.897 9.270 18.358 1.00 0.00 C ATOM 3 C GLY A -3 -1.080 7.807 18.648 1.00 0.00 C ATOM 4 O GLY A -3 -1.354 7.429 19.792 1.00 0.00 O ATOM 0 H1 GLY A -3 -1.905 10.730 19.385 1.00 0.00 H new ATOM 0 H2 GLY A -3 -1.389 9.425 20.342 1.00 0.00 H new ATOM 0 H3 GLY A -3 -0.266 10.580 19.803 1.00 0.00 H new ATOM 0 HA2 GLY A -3 -1.585 9.580 17.572 1.00 0.00 H new ATOM 0 HA3 GLY A -3 0.112 9.450 17.988 1.00 0.00 H new ATOM 10 N SER A -2 -0.952 6.992 17.641 1.00 0.00 N ATOM 11 CA SER A -2 -1.032 5.568 17.796 1.00 0.00 C ATOM 12 C SER A -2 0.373 5.015 17.963 1.00 0.00 C ATOM 13 O SER A -2 1.310 5.481 17.289 1.00 0.00 O ATOM 14 CB SER A -2 -1.694 4.956 16.562 1.00 0.00 C ATOM 15 OG SER A -2 -3.000 5.480 16.376 1.00 0.00 O ATOM 0 H SER A -2 -0.788 7.299 16.682 1.00 0.00 H new ATOM 0 HA SER A -2 -1.629 5.319 18.674 1.00 0.00 H new ATOM 0 HB2 SER A -2 -1.087 5.160 15.680 1.00 0.00 H new ATOM 0 HB3 SER A -2 -1.744 3.873 16.671 1.00 0.00 H new ATOM 0 HG SER A -2 -3.404 5.076 15.580 1.00 0.00 H new ATOM 21 N ALA A -1 0.543 4.056 18.844 1.00 0.00 N ATOM 22 CA ALA A -1 1.842 3.451 19.075 1.00 0.00 C ATOM 23 C ALA A -1 2.110 2.376 18.021 1.00 0.00 C ATOM 24 O ALA A -1 2.101 1.178 18.297 1.00 0.00 O ATOM 25 CB ALA A -1 1.943 2.894 20.492 1.00 0.00 C ATOM 0 H ALA A -1 -0.207 3.673 19.419 1.00 0.00 H new ATOM 0 HA ALA A -1 2.611 4.217 18.981 1.00 0.00 H new ATOM 0 HB1 ALA A -1 2.926 2.447 20.638 1.00 0.00 H new ATOM 0 HB2 ALA A -1 1.801 3.701 21.211 1.00 0.00 H new ATOM 0 HB3 ALA A -1 1.174 2.136 20.641 1.00 0.00 H new ATOM 31 N SER A 0 2.215 2.831 16.790 1.00 0.00 N ATOM 32 CA SER A 0 2.465 2.030 15.614 1.00 0.00 C ATOM 33 C SER A 0 2.952 2.980 14.532 1.00 0.00 C ATOM 34 O SER A 0 2.472 4.122 14.457 1.00 0.00 O ATOM 35 CB SER A 0 1.158 1.356 15.127 1.00 0.00 C ATOM 36 OG SER A 0 0.559 0.566 16.152 1.00 0.00 O ATOM 0 H SER A 0 2.123 3.823 16.573 1.00 0.00 H new ATOM 0 HA SER A 0 3.194 1.251 15.836 1.00 0.00 H new ATOM 0 HB2 SER A 0 0.454 2.121 14.799 1.00 0.00 H new ATOM 0 HB3 SER A 0 1.373 0.728 14.262 1.00 0.00 H new ATOM 0 HG SER A 0 -0.264 0.157 15.811 1.00 0.00 H new ATOM 42 N ASN A 1 3.892 2.558 13.739 1.00 0.00 N ATOM 43 CA ASN A 1 4.390 3.355 12.651 1.00 0.00 C ATOM 44 C ASN A 1 4.239 2.529 11.402 1.00 0.00 C ATOM 45 O ASN A 1 5.123 1.769 11.013 1.00 0.00 O ATOM 46 CB ASN A 1 5.851 3.781 12.872 1.00 0.00 C ATOM 47 CG ASN A 1 6.333 4.830 11.879 1.00 0.00 C ATOM 48 OD1 ASN A 1 6.825 4.511 10.809 1.00 0.00 O ATOM 49 ND2 ASN A 1 6.229 6.082 12.243 1.00 0.00 N ATOM 0 H ASN A 1 4.339 1.646 13.827 1.00 0.00 H new ATOM 0 HA ASN A 1 3.824 4.283 12.572 1.00 0.00 H new ATOM 0 HB2 ASN A 1 5.958 4.173 13.883 1.00 0.00 H new ATOM 0 HB3 ASN A 1 6.492 2.903 12.801 1.00 0.00 H new ATOM 0 HD21 ASN A 1 6.564 6.822 11.626 1.00 0.00 H new ATOM 0 HD22 ASN A 1 5.813 6.318 13.144 1.00 0.00 H new ATOM 56 N THR A 2 3.069 2.583 10.878 1.00 0.00 N ATOM 57 CA THR A 2 2.680 1.827 9.734 1.00 0.00 C ATOM 58 C THR A 2 2.709 2.720 8.490 1.00 0.00 C ATOM 59 O THR A 2 2.336 3.897 8.549 1.00 0.00 O ATOM 60 CB THR A 2 1.259 1.271 9.975 1.00 0.00 C ATOM 61 OG1 THR A 2 1.241 0.556 11.236 1.00 0.00 O ATOM 62 CG2 THR A 2 0.840 0.334 8.855 1.00 0.00 C ATOM 0 H THR A 2 2.325 3.176 11.245 1.00 0.00 H new ATOM 0 HA THR A 2 3.370 0.999 9.573 1.00 0.00 H new ATOM 0 HB THR A 2 0.557 2.105 10.001 1.00 0.00 H new ATOM 0 HG1 THR A 2 0.342 0.201 11.398 1.00 0.00 H new ATOM 0 HG21 THR A 2 -0.164 -0.042 9.052 1.00 0.00 H new ATOM 0 HG22 THR A 2 0.847 0.873 7.908 1.00 0.00 H new ATOM 0 HG23 THR A 2 1.536 -0.503 8.801 1.00 0.00 H new ATOM 70 N ILE A 3 3.171 2.172 7.399 1.00 0.00 N ATOM 71 CA ILE A 3 3.277 2.892 6.165 1.00 0.00 C ATOM 72 C ILE A 3 2.473 2.174 5.070 1.00 0.00 C ATOM 73 O ILE A 3 2.884 1.145 4.542 1.00 0.00 O ATOM 74 CB ILE A 3 4.780 3.087 5.778 1.00 0.00 C ATOM 75 CG1 ILE A 3 4.958 3.744 4.389 1.00 0.00 C ATOM 76 CG2 ILE A 3 5.575 1.781 5.921 1.00 0.00 C ATOM 77 CD1 ILE A 3 6.403 4.085 4.039 1.00 0.00 C ATOM 0 H ILE A 3 3.487 1.204 7.344 1.00 0.00 H new ATOM 0 HA ILE A 3 2.849 3.888 6.281 1.00 0.00 H new ATOM 0 HB ILE A 3 5.201 3.793 6.493 1.00 0.00 H new ATOM 0 HG12 ILE A 3 4.561 3.072 3.628 1.00 0.00 H new ATOM 0 HG13 ILE A 3 4.362 4.656 4.352 1.00 0.00 H new ATOM 0 HG21 ILE A 3 6.615 1.956 5.644 1.00 0.00 H new ATOM 0 HG22 ILE A 3 5.528 1.438 6.954 1.00 0.00 H new ATOM 0 HG23 ILE A 3 5.148 1.021 5.267 1.00 0.00 H new ATOM 0 HD11 ILE A 3 6.440 4.542 3.050 1.00 0.00 H new ATOM 0 HD12 ILE A 3 6.801 4.783 4.776 1.00 0.00 H new ATOM 0 HD13 ILE A 3 7.002 3.175 4.041 1.00 0.00 H new ATOM 89 N LEU A 4 1.298 2.700 4.789 1.00 0.00 N ATOM 90 CA LEU A 4 0.399 2.149 3.798 1.00 0.00 C ATOM 91 C LEU A 4 1.033 2.191 2.421 1.00 0.00 C ATOM 92 O LEU A 4 1.298 3.265 1.878 1.00 0.00 O ATOM 93 CB LEU A 4 -0.921 2.924 3.797 1.00 0.00 C ATOM 94 CG LEU A 4 -1.675 2.994 5.131 1.00 0.00 C ATOM 95 CD1 LEU A 4 -2.993 3.726 4.978 1.00 0.00 C ATOM 96 CD2 LEU A 4 -1.886 1.614 5.706 1.00 0.00 C ATOM 0 H LEU A 4 0.936 3.535 5.250 1.00 0.00 H new ATOM 0 HA LEU A 4 0.198 1.108 4.053 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -0.718 3.943 3.466 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -1.581 2.473 3.056 1.00 0.00 H new ATOM 0 HG LEU A 4 -1.060 3.560 5.831 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -3.504 3.759 5.940 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -2.807 4.742 4.631 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -3.617 3.204 4.253 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -2.423 1.692 6.652 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -2.468 1.014 5.007 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -0.920 1.139 5.875 1.00 0.00 H new ATOM 108 N GLY A 5 1.293 1.038 1.883 1.00 0.00 N ATOM 109 CA GLY A 5 1.933 0.957 0.610 1.00 0.00 C ATOM 110 C GLY A 5 3.279 0.282 0.712 1.00 0.00 C ATOM 111 O GLY A 5 3.777 -0.257 -0.255 1.00 0.00 O ATOM 0 H GLY A 5 1.070 0.139 2.309 1.00 0.00 H new ATOM 0 HA2 GLY A 5 1.299 0.404 -0.083 1.00 0.00 H new ATOM 0 HA3 GLY A 5 2.057 1.959 0.199 1.00 0.00 H new ATOM 115 N ASP A 6 3.876 0.311 1.878 1.00 0.00 N ATOM 116 CA ASP A 6 5.147 -0.323 2.065 1.00 0.00 C ATOM 117 C ASP A 6 4.995 -1.526 2.973 1.00 0.00 C ATOM 118 O ASP A 6 5.090 -1.451 4.194 1.00 0.00 O ATOM 119 CB ASP A 6 6.194 0.672 2.540 1.00 0.00 C ATOM 120 CG ASP A 6 7.521 0.047 2.798 1.00 0.00 C ATOM 121 OD1 ASP A 6 7.945 -0.820 2.015 1.00 0.00 O ATOM 122 OD2 ASP A 6 8.188 0.441 3.747 1.00 0.00 O ATOM 0 H ASP A 6 3.498 0.768 2.708 1.00 0.00 H new ATOM 0 HA ASP A 6 5.513 -0.694 1.108 1.00 0.00 H new ATOM 0 HB2 ASP A 6 6.308 1.456 1.791 1.00 0.00 H new ATOM 0 HB3 ASP A 6 5.842 1.152 3.453 1.00 0.00 H new ATOM 127 N LEU A 7 4.703 -2.621 2.330 1.00 0.00 N ATOM 128 CA LEU A 7 4.358 -3.880 2.940 1.00 0.00 C ATOM 129 C LEU A 7 5.576 -4.625 3.442 1.00 0.00 C ATOM 130 O LEU A 7 5.535 -5.270 4.498 1.00 0.00 O ATOM 131 CB LEU A 7 3.588 -4.758 1.937 1.00 0.00 C ATOM 132 CG LEU A 7 2.130 -4.368 1.580 1.00 0.00 C ATOM 133 CD1 LEU A 7 2.004 -3.022 0.900 1.00 0.00 C ATOM 134 CD2 LEU A 7 1.536 -5.414 0.703 1.00 0.00 C ATOM 0 H LEU A 7 4.698 -2.665 1.311 1.00 0.00 H new ATOM 0 HA LEU A 7 3.727 -3.661 3.802 1.00 0.00 H new ATOM 0 HB2 LEU A 7 4.161 -4.783 1.010 1.00 0.00 H new ATOM 0 HB3 LEU A 7 3.573 -5.775 2.330 1.00 0.00 H new ATOM 0 HG LEU A 7 1.594 -4.292 2.526 1.00 0.00 H new ATOM 0 HD11 LEU A 7 0.955 -2.821 0.682 1.00 0.00 H new ATOM 0 HD12 LEU A 7 2.394 -2.245 1.557 1.00 0.00 H new ATOM 0 HD13 LEU A 7 2.572 -3.030 -0.030 1.00 0.00 H new ATOM 0 HD21 LEU A 7 0.511 -5.140 0.452 1.00 0.00 H new ATOM 0 HD22 LEU A 7 2.123 -5.499 -0.211 1.00 0.00 H new ATOM 0 HD23 LEU A 7 1.538 -6.371 1.225 1.00 0.00 H new ATOM 146 N ASN A 8 6.664 -4.550 2.698 1.00 0.00 N ATOM 147 CA ASN A 8 7.885 -5.257 3.086 1.00 0.00 C ATOM 148 C ASN A 8 8.698 -4.425 4.054 1.00 0.00 C ATOM 149 O ASN A 8 9.673 -4.903 4.616 1.00 0.00 O ATOM 150 CB ASN A 8 8.729 -5.733 1.868 1.00 0.00 C ATOM 151 CG ASN A 8 9.355 -4.620 1.056 1.00 0.00 C ATOM 152 OD1 ASN A 8 8.859 -3.516 1.007 1.00 0.00 O ATOM 153 ND2 ASN A 8 10.403 -4.920 0.363 1.00 0.00 N ATOM 0 H ASN A 8 6.735 -4.016 1.832 1.00 0.00 H new ATOM 0 HA ASN A 8 7.578 -6.169 3.598 1.00 0.00 H new ATOM 0 HB2 ASN A 8 9.520 -6.391 2.227 1.00 0.00 H new ATOM 0 HB3 ASN A 8 8.092 -6.328 1.213 1.00 0.00 H new ATOM 0 HD21 ASN A 8 10.831 -4.220 -0.243 1.00 0.00 H new ATOM 0 HD22 ASN A 8 10.802 -5.857 0.421 1.00 0.00 H new ATOM 160 N ASP A 9 8.243 -3.187 4.259 1.00 0.00 N ATOM 161 CA ASP A 9 8.810 -2.240 5.220 1.00 0.00 C ATOM 162 C ASP A 9 10.269 -1.919 4.904 1.00 0.00 C ATOM 163 O ASP A 9 11.208 -2.302 5.620 1.00 0.00 O ATOM 164 CB ASP A 9 8.574 -2.683 6.679 1.00 0.00 C ATOM 165 CG ASP A 9 9.013 -1.663 7.717 1.00 0.00 C ATOM 166 OD1 ASP A 9 8.389 -0.591 7.810 1.00 0.00 O ATOM 167 OD2 ASP A 9 9.941 -1.951 8.504 1.00 0.00 O ATOM 0 H ASP A 9 7.448 -2.806 3.747 1.00 0.00 H new ATOM 0 HA ASP A 9 8.270 -1.299 5.113 1.00 0.00 H new ATOM 0 HB2 ASP A 9 7.513 -2.892 6.817 1.00 0.00 H new ATOM 0 HB3 ASP A 9 9.108 -3.617 6.855 1.00 0.00 H new ATOM 172 N ASP A 10 10.449 -1.324 3.760 1.00 0.00 N ATOM 173 CA ASP A 10 11.764 -0.944 3.278 1.00 0.00 C ATOM 174 C ASP A 10 11.856 0.575 3.091 1.00 0.00 C ATOM 175 O ASP A 10 12.911 1.109 2.716 1.00 0.00 O ATOM 176 CB ASP A 10 12.163 -1.718 1.985 1.00 0.00 C ATOM 177 CG ASP A 10 11.252 -1.501 0.784 1.00 0.00 C ATOM 178 OD1 ASP A 10 11.294 -2.299 -0.168 1.00 0.00 O ATOM 179 OD2 ASP A 10 10.417 -0.601 0.788 1.00 0.00 O ATOM 0 H ASP A 10 9.688 -1.083 3.124 1.00 0.00 H new ATOM 0 HA ASP A 10 12.490 -1.230 4.039 1.00 0.00 H new ATOM 0 HB2 ASP A 10 13.177 -1.429 1.707 1.00 0.00 H new ATOM 0 HB3 ASP A 10 12.187 -2.784 2.213 1.00 0.00 H new ATOM 184 N GLY A 11 10.744 1.254 3.345 1.00 0.00 N ATOM 185 CA GLY A 11 10.693 2.702 3.304 1.00 0.00 C ATOM 186 C GLY A 11 10.228 3.265 1.988 1.00 0.00 C ATOM 187 O GLY A 11 10.131 4.485 1.830 1.00 0.00 O ATOM 0 H GLY A 11 9.856 0.813 3.584 1.00 0.00 H new ATOM 0 HA2 GLY A 11 10.028 3.054 4.092 1.00 0.00 H new ATOM 0 HA3 GLY A 11 11.685 3.096 3.525 1.00 0.00 H new ATOM 191 N VAL A 12 9.892 2.410 1.062 1.00 0.00 N ATOM 192 CA VAL A 12 9.563 2.850 -0.277 1.00 0.00 C ATOM 193 C VAL A 12 8.481 1.970 -0.895 1.00 0.00 C ATOM 194 O VAL A 12 8.482 0.758 -0.711 1.00 0.00 O ATOM 195 CB VAL A 12 10.872 2.911 -1.175 1.00 0.00 C ATOM 196 CG1 VAL A 12 11.663 1.624 -1.095 1.00 0.00 C ATOM 197 CG2 VAL A 12 10.575 3.237 -2.629 1.00 0.00 C ATOM 0 H VAL A 12 9.837 1.402 1.205 1.00 0.00 H new ATOM 0 HA VAL A 12 9.153 3.859 -0.223 1.00 0.00 H new ATOM 0 HB VAL A 12 11.471 3.725 -0.766 1.00 0.00 H new ATOM 0 HG11 VAL A 12 12.551 1.703 -1.722 1.00 0.00 H new ATOM 0 HG12 VAL A 12 11.963 1.445 -0.062 1.00 0.00 H new ATOM 0 HG13 VAL A 12 11.046 0.795 -1.443 1.00 0.00 H new ATOM 0 HG21 VAL A 12 11.507 3.265 -3.193 1.00 0.00 H new ATOM 0 HG22 VAL A 12 9.921 2.472 -3.047 1.00 0.00 H new ATOM 0 HG23 VAL A 12 10.084 4.208 -2.691 1.00 0.00 H new ATOM 207 N VAL A 13 7.533 2.582 -1.564 1.00 0.00 N ATOM 208 CA VAL A 13 6.512 1.855 -2.264 1.00 0.00 C ATOM 209 C VAL A 13 7.092 1.325 -3.590 1.00 0.00 C ATOM 210 O VAL A 13 7.211 2.045 -4.585 1.00 0.00 O ATOM 211 CB VAL A 13 5.224 2.725 -2.473 1.00 0.00 C ATOM 212 CG1 VAL A 13 4.497 2.905 -1.155 1.00 0.00 C ATOM 213 CG2 VAL A 13 5.561 4.108 -3.024 1.00 0.00 C ATOM 0 H VAL A 13 7.451 3.596 -1.636 1.00 0.00 H new ATOM 0 HA VAL A 13 6.196 1.003 -1.663 1.00 0.00 H new ATOM 0 HB VAL A 13 4.595 2.199 -3.191 1.00 0.00 H new ATOM 0 HG11 VAL A 13 3.604 3.511 -1.312 1.00 0.00 H new ATOM 0 HG12 VAL A 13 4.210 1.930 -0.762 1.00 0.00 H new ATOM 0 HG13 VAL A 13 5.154 3.404 -0.442 1.00 0.00 H new ATOM 0 HG21 VAL A 13 4.643 4.681 -3.155 1.00 0.00 H new ATOM 0 HG22 VAL A 13 6.217 4.628 -2.326 1.00 0.00 H new ATOM 0 HG23 VAL A 13 6.064 4.004 -3.985 1.00 0.00 H new ATOM 223 N ASN A 14 7.512 0.088 -3.548 1.00 0.00 N ATOM 224 CA ASN A 14 8.220 -0.531 -4.644 1.00 0.00 C ATOM 225 C ASN A 14 7.575 -1.827 -5.096 1.00 0.00 C ATOM 226 O ASN A 14 6.629 -2.308 -4.477 1.00 0.00 O ATOM 227 CB ASN A 14 9.719 -0.708 -4.313 1.00 0.00 C ATOM 228 CG ASN A 14 10.064 -1.640 -3.183 1.00 0.00 C ATOM 229 OD1 ASN A 14 9.271 -1.926 -2.287 1.00 0.00 O ATOM 230 ND2 ASN A 14 11.273 -2.074 -3.180 1.00 0.00 N ATOM 0 H ASN A 14 7.372 -0.526 -2.746 1.00 0.00 H new ATOM 0 HA ASN A 14 8.151 0.149 -5.493 1.00 0.00 H new ATOM 0 HB2 ASN A 14 10.225 -1.063 -5.211 1.00 0.00 H new ATOM 0 HB3 ASN A 14 10.133 0.273 -4.081 1.00 0.00 H new ATOM 0 HD21 ASN A 14 11.598 -2.673 -2.421 1.00 0.00 H new ATOM 0 HD22 ASN A 14 11.908 -1.820 -3.937 1.00 0.00 H new ATOM 237 N GLY A 15 8.133 -2.421 -6.155 1.00 0.00 N ATOM 238 CA GLY A 15 7.594 -3.657 -6.759 1.00 0.00 C ATOM 239 C GLY A 15 7.580 -4.843 -5.803 1.00 0.00 C ATOM 240 O GLY A 15 6.785 -5.773 -5.952 1.00 0.00 O ATOM 0 H GLY A 15 8.968 -2.065 -6.621 1.00 0.00 H new ATOM 0 HA2 GLY A 15 6.578 -3.469 -7.107 1.00 0.00 H new ATOM 0 HA3 GLY A 15 8.189 -3.914 -7.635 1.00 0.00 H new ATOM 244 N ARG A 16 8.436 -4.783 -4.794 1.00 0.00 N ATOM 245 CA ARG A 16 8.533 -5.827 -3.777 1.00 0.00 C ATOM 246 C ARG A 16 7.255 -5.895 -2.963 1.00 0.00 C ATOM 247 O ARG A 16 6.850 -6.960 -2.516 1.00 0.00 O ATOM 248 CB ARG A 16 9.683 -5.538 -2.834 1.00 0.00 C ATOM 249 CG ARG A 16 11.050 -5.485 -3.476 1.00 0.00 C ATOM 250 CD ARG A 16 11.468 -6.824 -4.037 1.00 0.00 C ATOM 251 NE ARG A 16 12.813 -6.765 -4.591 1.00 0.00 N ATOM 252 CZ ARG A 16 13.647 -7.797 -4.724 1.00 0.00 C ATOM 253 NH1 ARG A 16 13.303 -9.009 -4.283 1.00 0.00 N ATOM 254 NH2 ARG A 16 14.836 -7.609 -5.288 1.00 0.00 N ATOM 0 H ARG A 16 9.085 -4.009 -4.654 1.00 0.00 H new ATOM 0 HA ARG A 16 8.698 -6.776 -4.287 1.00 0.00 H new ATOM 0 HB2 ARG A 16 9.495 -4.585 -2.340 1.00 0.00 H new ATOM 0 HB3 ARG A 16 9.694 -6.302 -2.057 1.00 0.00 H new ATOM 0 HG2 ARG A 16 11.046 -4.743 -4.275 1.00 0.00 H new ATOM 0 HG3 ARG A 16 11.783 -5.156 -2.739 1.00 0.00 H new ATOM 0 HD2 ARG A 16 11.428 -7.579 -3.252 1.00 0.00 H new ATOM 0 HD3 ARG A 16 10.766 -7.132 -4.812 1.00 0.00 H new ATOM 0 HE ARG A 16 13.147 -5.854 -4.905 1.00 0.00 H new ATOM 0 HH11 ARG A 16 12.395 -9.152 -3.840 1.00 0.00 H new ATOM 0 HH12 ARG A 16 13.948 -9.792 -4.389 1.00 0.00 H new ATOM 0 HH21 ARG A 16 15.104 -6.681 -5.615 1.00 0.00 H new ATOM 0 HH22 ARG A 16 15.480 -8.393 -5.394 1.00 0.00 H new ATOM 268 N ASP A 17 6.617 -4.747 -2.799 1.00 0.00 N ATOM 269 CA ASP A 17 5.387 -4.640 -2.037 1.00 0.00 C ATOM 270 C ASP A 17 4.273 -5.355 -2.743 1.00 0.00 C ATOM 271 O ASP A 17 3.453 -5.990 -2.106 1.00 0.00 O ATOM 272 CB ASP A 17 5.009 -3.190 -1.802 1.00 0.00 C ATOM 273 CG ASP A 17 6.048 -2.449 -1.010 1.00 0.00 C ATOM 274 OD1 ASP A 17 6.651 -1.504 -1.505 1.00 0.00 O ATOM 275 OD2 ASP A 17 6.371 -2.837 0.109 1.00 0.00 O ATOM 0 H ASP A 17 6.940 -3.863 -3.192 1.00 0.00 H new ATOM 0 HA ASP A 17 5.553 -5.108 -1.067 1.00 0.00 H new ATOM 0 HB2 ASP A 17 4.866 -2.694 -2.762 1.00 0.00 H new ATOM 0 HB3 ASP A 17 4.055 -3.147 -1.276 1.00 0.00 H new ATOM 280 N ILE A 18 4.270 -5.256 -4.073 1.00 0.00 N ATOM 281 CA ILE A 18 3.317 -5.969 -4.948 1.00 0.00 C ATOM 282 C ILE A 18 3.345 -7.468 -4.655 1.00 0.00 C ATOM 283 O ILE A 18 2.296 -8.117 -4.558 1.00 0.00 O ATOM 284 CB ILE A 18 3.642 -5.731 -6.478 1.00 0.00 C ATOM 285 CG1 ILE A 18 3.251 -4.328 -6.959 1.00 0.00 C ATOM 286 CG2 ILE A 18 2.964 -6.770 -7.377 1.00 0.00 C ATOM 287 CD1 ILE A 18 3.866 -3.172 -6.252 1.00 0.00 C ATOM 0 H ILE A 18 4.933 -4.675 -4.586 1.00 0.00 H new ATOM 0 HA ILE A 18 2.324 -5.571 -4.739 1.00 0.00 H new ATOM 0 HB ILE A 18 4.724 -5.834 -6.558 1.00 0.00 H new ATOM 0 HG12 ILE A 18 3.503 -4.251 -8.017 1.00 0.00 H new ATOM 0 HG13 ILE A 18 2.168 -4.234 -6.882 1.00 0.00 H new ATOM 0 HG21 ILE A 18 3.214 -6.569 -8.419 1.00 0.00 H new ATOM 0 HG22 ILE A 18 3.311 -7.767 -7.107 1.00 0.00 H new ATOM 0 HG23 ILE A 18 1.883 -6.714 -7.246 1.00 0.00 H new ATOM 0 HD11 ILE A 18 3.504 -2.242 -6.692 1.00 0.00 H new ATOM 0 HD12 ILE A 18 3.594 -3.204 -5.197 1.00 0.00 H new ATOM 0 HD13 ILE A 18 4.951 -3.221 -6.349 1.00 0.00 H new ATOM 299 N VAL A 19 4.544 -7.992 -4.509 1.00 0.00 N ATOM 300 CA VAL A 19 4.758 -9.408 -4.208 1.00 0.00 C ATOM 301 C VAL A 19 4.078 -9.767 -2.896 1.00 0.00 C ATOM 302 O VAL A 19 3.279 -10.694 -2.845 1.00 0.00 O ATOM 303 CB VAL A 19 6.263 -9.750 -4.104 1.00 0.00 C ATOM 304 CG1 VAL A 19 6.482 -11.256 -4.050 1.00 0.00 C ATOM 305 CG2 VAL A 19 7.049 -9.118 -5.243 1.00 0.00 C ATOM 0 H VAL A 19 5.406 -7.453 -4.594 1.00 0.00 H new ATOM 0 HA VAL A 19 4.329 -9.985 -5.027 1.00 0.00 H new ATOM 0 HB VAL A 19 6.637 -9.329 -3.171 1.00 0.00 H new ATOM 0 HG11 VAL A 19 7.549 -11.466 -3.977 1.00 0.00 H new ATOM 0 HG12 VAL A 19 5.971 -11.667 -3.179 1.00 0.00 H new ATOM 0 HG13 VAL A 19 6.083 -11.714 -4.955 1.00 0.00 H new ATOM 0 HG21 VAL A 19 8.104 -9.375 -5.144 1.00 0.00 H new ATOM 0 HG22 VAL A 19 6.672 -9.491 -6.196 1.00 0.00 H new ATOM 0 HG23 VAL A 19 6.935 -8.035 -5.207 1.00 0.00 H new ATOM 315 N MET A 20 4.341 -8.959 -1.882 1.00 0.00 N ATOM 316 CA MET A 20 3.819 -9.162 -0.521 1.00 0.00 C ATOM 317 C MET A 20 2.283 -9.060 -0.522 1.00 0.00 C ATOM 318 O MET A 20 1.591 -9.836 0.149 1.00 0.00 O ATOM 319 CB MET A 20 4.387 -8.090 0.411 1.00 0.00 C ATOM 320 CG MET A 20 5.901 -7.903 0.332 1.00 0.00 C ATOM 321 SD MET A 20 6.863 -9.278 0.996 1.00 0.00 S ATOM 322 CE MET A 20 6.586 -9.057 2.753 1.00 0.00 C ATOM 0 H MET A 20 4.929 -8.131 -1.972 1.00 0.00 H new ATOM 0 HA MET A 20 4.116 -10.152 -0.175 1.00 0.00 H new ATOM 0 HB2 MET A 20 3.906 -7.139 0.182 1.00 0.00 H new ATOM 0 HB3 MET A 20 4.120 -8.343 1.437 1.00 0.00 H new ATOM 0 HG2 MET A 20 6.181 -7.750 -0.710 1.00 0.00 H new ATOM 0 HG3 MET A 20 6.170 -6.995 0.871 1.00 0.00 H new ATOM 0 HE1 MET A 20 7.213 -9.752 3.311 1.00 0.00 H new ATOM 0 HE2 MET A 20 6.838 -8.035 3.035 1.00 0.00 H new ATOM 0 HE3 MET A 20 5.538 -9.249 2.983 1.00 0.00 H new ATOM 332 N MET A 21 1.784 -8.084 -1.295 1.00 0.00 N ATOM 333 CA MET A 21 0.350 -7.805 -1.506 1.00 0.00 C ATOM 334 C MET A 21 -0.325 -9.073 -1.972 1.00 0.00 C ATOM 335 O MET A 21 -1.225 -9.594 -1.315 1.00 0.00 O ATOM 336 CB MET A 21 0.235 -6.735 -2.620 1.00 0.00 C ATOM 337 CG MET A 21 -1.152 -6.138 -2.964 1.00 0.00 C ATOM 338 SD MET A 21 -1.715 -4.766 -1.918 1.00 0.00 S ATOM 339 CE MET A 21 -2.110 -5.538 -0.369 1.00 0.00 C ATOM 0 H MET A 21 2.387 -7.443 -1.810 1.00 0.00 H new ATOM 0 HA MET A 21 -0.118 -7.454 -0.586 1.00 0.00 H new ATOM 0 HB2 MET A 21 0.888 -5.907 -2.346 1.00 0.00 H new ATOM 0 HB3 MET A 21 0.639 -7.170 -3.534 1.00 0.00 H new ATOM 0 HG2 MET A 21 -1.130 -5.794 -3.998 1.00 0.00 H new ATOM 0 HG3 MET A 21 -1.892 -6.937 -2.909 1.00 0.00 H new ATOM 0 HE1 MET A 21 -3.173 -5.416 -0.163 1.00 0.00 H new ATOM 0 HE2 MET A 21 -1.869 -6.600 -0.420 1.00 0.00 H new ATOM 0 HE3 MET A 21 -1.530 -5.072 0.428 1.00 0.00 H new ATOM 349 N ARG A 22 0.209 -9.602 -3.060 1.00 0.00 N ATOM 350 CA ARG A 22 -0.290 -10.785 -3.725 1.00 0.00 C ATOM 351 C ARG A 22 -0.248 -12.031 -2.853 1.00 0.00 C ATOM 352 O ARG A 22 -1.083 -12.915 -3.017 1.00 0.00 O ATOM 353 CB ARG A 22 0.477 -11.014 -5.010 1.00 0.00 C ATOM 354 CG ARG A 22 0.099 -10.095 -6.140 1.00 0.00 C ATOM 355 CD ARG A 22 1.034 -10.309 -7.309 1.00 0.00 C ATOM 356 NE ARG A 22 0.619 -9.586 -8.511 1.00 0.00 N ATOM 357 CZ ARG A 22 1.416 -9.347 -9.564 1.00 0.00 C ATOM 358 NH1 ARG A 22 2.674 -9.811 -9.578 1.00 0.00 N ATOM 359 NH2 ARG A 22 0.948 -8.673 -10.605 1.00 0.00 N ATOM 0 H ARG A 22 1.029 -9.203 -3.517 1.00 0.00 H new ATOM 0 HA ARG A 22 -1.342 -10.603 -3.945 1.00 0.00 H new ATOM 0 HB2 ARG A 22 1.542 -10.899 -4.807 1.00 0.00 H new ATOM 0 HB3 ARG A 22 0.323 -12.044 -5.331 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -0.930 -10.284 -6.446 1.00 0.00 H new ATOM 0 HG3 ARG A 22 0.147 -9.058 -5.809 1.00 0.00 H new ATOM 0 HD2 ARG A 22 2.038 -9.990 -7.028 1.00 0.00 H new ATOM 0 HD3 ARG A 22 1.089 -11.374 -7.533 1.00 0.00 H new ATOM 0 HE ARG A 22 -0.340 -9.241 -8.552 1.00 0.00 H new ATOM 0 HH11 ARG A 22 3.028 -10.348 -8.786 1.00 0.00 H new ATOM 0 HH12 ARG A 22 3.276 -9.627 -10.380 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -0.015 -8.338 -10.604 1.00 0.00 H new ATOM 0 HH22 ARG A 22 1.551 -8.490 -11.407 1.00 0.00 H new ATOM 373 N GLN A 23 0.714 -12.105 -1.941 1.00 0.00 N ATOM 374 CA GLN A 23 0.831 -13.240 -1.041 1.00 0.00 C ATOM 375 C GLN A 23 -0.353 -13.308 -0.101 1.00 0.00 C ATOM 376 O GLN A 23 -1.046 -14.327 -0.025 1.00 0.00 O ATOM 377 CB GLN A 23 2.073 -13.131 -0.193 1.00 0.00 C ATOM 378 CG GLN A 23 3.389 -13.012 -0.925 1.00 0.00 C ATOM 379 CD GLN A 23 3.727 -14.200 -1.809 1.00 0.00 C ATOM 380 OE1 GLN A 23 2.868 -14.851 -2.395 1.00 0.00 O ATOM 381 NE2 GLN A 23 4.970 -14.507 -1.895 1.00 0.00 N ATOM 0 H GLN A 23 1.426 -11.387 -1.807 1.00 0.00 H new ATOM 0 HA GLN A 23 0.874 -14.133 -1.664 1.00 0.00 H new ATOM 0 HB2 GLN A 23 1.966 -12.262 0.456 1.00 0.00 H new ATOM 0 HB3 GLN A 23 2.121 -14.008 0.453 1.00 0.00 H new ATOM 0 HG2 GLN A 23 3.369 -12.112 -1.540 1.00 0.00 H new ATOM 0 HG3 GLN A 23 4.187 -12.881 -0.194 1.00 0.00 H new ATOM 0 HE21 GLN A 23 5.668 -13.952 -1.400 1.00 0.00 H new ATOM 0 HE22 GLN A 23 5.260 -15.306 -2.459 1.00 0.00 H new ATOM 390 N TYR A 24 -0.593 -12.213 0.607 1.00 0.00 N ATOM 391 CA TYR A 24 -1.660 -12.155 1.583 1.00 0.00 C ATOM 392 C TYR A 24 -3.004 -12.279 0.891 1.00 0.00 C ATOM 393 O TYR A 24 -3.892 -12.986 1.370 1.00 0.00 O ATOM 394 CB TYR A 24 -1.570 -10.871 2.382 1.00 0.00 C ATOM 395 CG TYR A 24 -2.544 -10.798 3.554 1.00 0.00 C ATOM 396 CD1 TYR A 24 -3.858 -10.400 3.361 1.00 0.00 C ATOM 397 CD2 TYR A 24 -2.148 -11.130 4.843 1.00 0.00 C ATOM 398 CE1 TYR A 24 -4.747 -10.339 4.396 1.00 0.00 C ATOM 399 CE2 TYR A 24 -3.042 -11.070 5.899 1.00 0.00 C ATOM 400 CZ TYR A 24 -4.343 -10.671 5.669 1.00 0.00 C ATOM 401 OH TYR A 24 -5.248 -10.609 6.716 1.00 0.00 O ATOM 0 H TYR A 24 -0.056 -11.350 0.519 1.00 0.00 H new ATOM 0 HA TYR A 24 -1.557 -12.989 2.277 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -0.554 -10.762 2.761 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -1.755 -10.028 1.717 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -4.187 -10.132 2.368 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -1.129 -11.439 5.024 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -5.766 -10.030 4.216 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -2.723 -11.334 6.897 1.00 0.00 H new ATOM 0 HH TYR A 24 -4.804 -10.876 7.548 1.00 0.00 H new ATOM 411 N LEU A 25 -3.118 -11.605 -0.240 1.00 0.00 N ATOM 412 CA LEU A 25 -4.323 -11.676 -1.123 1.00 0.00 C ATOM 413 C LEU A 25 -4.625 -13.119 -1.559 1.00 0.00 C ATOM 414 O LEU A 25 -5.778 -13.479 -1.800 1.00 0.00 O ATOM 415 CB LEU A 25 -4.159 -10.816 -2.393 1.00 0.00 C ATOM 416 CG LEU A 25 -4.127 -9.292 -2.235 1.00 0.00 C ATOM 417 CD1 LEU A 25 -3.895 -8.636 -3.588 1.00 0.00 C ATOM 418 CD2 LEU A 25 -5.417 -8.765 -1.627 1.00 0.00 C ATOM 0 H LEU A 25 -2.389 -10.985 -0.594 1.00 0.00 H new ATOM 0 HA LEU A 25 -5.150 -11.291 -0.526 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -3.234 -11.120 -2.884 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -4.976 -11.064 -3.071 1.00 0.00 H new ATOM 0 HG LEU A 25 -3.309 -9.045 -1.559 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -3.873 -7.553 -3.468 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -2.944 -8.975 -3.998 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -4.702 -8.910 -4.268 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -5.357 -7.681 -1.530 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -6.256 -9.026 -2.272 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -5.563 -9.210 -0.643 1.00 0.00 H new ATOM 430 N ALA A 26 -3.583 -13.924 -1.665 1.00 0.00 N ATOM 431 CA ALA A 26 -3.700 -15.329 -2.048 1.00 0.00 C ATOM 432 C ALA A 26 -3.992 -16.218 -0.835 1.00 0.00 C ATOM 433 O ALA A 26 -4.185 -17.433 -0.968 1.00 0.00 O ATOM 434 CB ALA A 26 -2.427 -15.786 -2.721 1.00 0.00 C ATOM 0 H ALA A 26 -2.624 -13.624 -1.488 1.00 0.00 H new ATOM 0 HA ALA A 26 -4.535 -15.419 -2.742 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -2.521 -16.834 -3.004 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -2.250 -15.184 -3.612 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -1.590 -15.670 -2.033 1.00 0.00 H new ATOM 440 N GLY A 27 -3.997 -15.616 0.331 1.00 0.00 N ATOM 441 CA GLY A 27 -4.273 -16.323 1.540 1.00 0.00 C ATOM 442 C GLY A 27 -3.036 -16.889 2.194 1.00 0.00 C ATOM 443 O GLY A 27 -3.135 -17.744 3.071 1.00 0.00 O ATOM 0 H GLY A 27 -3.809 -14.622 0.459 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -4.771 -15.652 2.240 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -4.968 -17.136 1.328 1.00 0.00 H new ATOM 447 N LYS A 28 -1.869 -16.424 1.791 1.00 0.00 N ATOM 448 CA LYS A 28 -0.638 -16.907 2.387 1.00 0.00 C ATOM 449 C LYS A 28 -0.315 -16.062 3.597 1.00 0.00 C ATOM 450 O LYS A 28 -0.709 -14.885 3.672 1.00 0.00 O ATOM 451 CB LYS A 28 0.548 -16.850 1.396 1.00 0.00 C ATOM 452 CG LYS A 28 0.264 -17.462 0.040 1.00 0.00 C ATOM 453 CD LYS A 28 1.473 -17.343 -0.862 1.00 0.00 C ATOM 454 CE LYS A 28 1.213 -17.913 -2.244 1.00 0.00 C ATOM 455 NZ LYS A 28 0.937 -19.369 -2.216 1.00 0.00 N ATOM 0 H LYS A 28 -1.747 -15.721 1.062 1.00 0.00 H new ATOM 0 HA LYS A 28 -0.786 -17.950 2.668 1.00 0.00 H new ATOM 0 HB2 LYS A 28 0.839 -15.809 1.257 1.00 0.00 H new ATOM 0 HB3 LYS A 28 1.401 -17.363 1.840 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -0.006 -18.511 0.158 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -0.589 -16.963 -0.419 1.00 0.00 H new ATOM 0 HD2 LYS A 28 1.757 -16.294 -0.950 1.00 0.00 H new ATOM 0 HD3 LYS A 28 2.316 -17.864 -0.408 1.00 0.00 H new ATOM 0 HE2 LYS A 28 0.366 -17.395 -2.694 1.00 0.00 H new ATOM 0 HE3 LYS A 28 2.077 -17.723 -2.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 0.917 -19.737 -3.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 1.683 -19.853 -1.677 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 0.017 -19.539 -1.763 1.00 0.00 H new ATOM 469 N THR A 29 0.353 -16.649 4.538 1.00 0.00 N ATOM 470 CA THR A 29 0.797 -15.935 5.700 1.00 0.00 C ATOM 471 C THR A 29 2.192 -15.440 5.387 1.00 0.00 C ATOM 472 O THR A 29 3.133 -16.233 5.286 1.00 0.00 O ATOM 473 CB THR A 29 0.819 -16.832 6.959 1.00 0.00 C ATOM 474 OG1 THR A 29 -0.479 -17.419 7.161 1.00 0.00 O ATOM 475 CG2 THR A 29 1.188 -16.016 8.192 1.00 0.00 C ATOM 0 H THR A 29 0.608 -17.637 4.526 1.00 0.00 H new ATOM 0 HA THR A 29 0.113 -15.116 5.921 1.00 0.00 H new ATOM 0 HB THR A 29 1.564 -17.614 6.810 1.00 0.00 H new ATOM 0 HG1 THR A 29 -0.460 -17.988 7.959 1.00 0.00 H new ATOM 0 HG21 THR A 29 1.198 -16.665 9.068 1.00 0.00 H new ATOM 0 HG22 THR A 29 2.176 -15.576 8.055 1.00 0.00 H new ATOM 0 HG23 THR A 29 0.454 -15.223 8.336 1.00 0.00 H new ATOM 483 N VAL A 30 2.314 -14.158 5.175 1.00 0.00 N ATOM 484 CA VAL A 30 3.556 -13.591 4.741 1.00 0.00 C ATOM 485 C VAL A 30 4.420 -13.297 5.959 1.00 0.00 C ATOM 486 O VAL A 30 4.052 -12.495 6.815 1.00 0.00 O ATOM 487 CB VAL A 30 3.335 -12.293 3.923 1.00 0.00 C ATOM 488 CG1 VAL A 30 4.520 -12.001 3.004 1.00 0.00 C ATOM 489 CG2 VAL A 30 2.029 -12.331 3.145 1.00 0.00 C ATOM 0 H VAL A 30 1.559 -13.483 5.298 1.00 0.00 H new ATOM 0 HA VAL A 30 4.056 -14.309 4.090 1.00 0.00 H new ATOM 0 HB VAL A 30 3.263 -11.473 4.638 1.00 0.00 H new ATOM 0 HG11 VAL A 30 4.330 -11.084 2.446 1.00 0.00 H new ATOM 0 HG12 VAL A 30 5.423 -11.882 3.602 1.00 0.00 H new ATOM 0 HG13 VAL A 30 4.653 -12.829 2.307 1.00 0.00 H new ATOM 0 HG21 VAL A 30 1.912 -11.403 2.585 1.00 0.00 H new ATOM 0 HG22 VAL A 30 2.042 -13.173 2.453 1.00 0.00 H new ATOM 0 HG23 VAL A 30 1.196 -12.444 3.838 1.00 0.00 H new ATOM 499 N SER A 31 5.499 -14.012 6.069 1.00 0.00 N ATOM 500 CA SER A 31 6.429 -13.849 7.148 1.00 0.00 C ATOM 501 C SER A 31 7.266 -12.582 6.889 1.00 0.00 C ATOM 502 O SER A 31 7.963 -12.497 5.870 1.00 0.00 O ATOM 503 CB SER A 31 7.317 -15.111 7.215 1.00 0.00 C ATOM 504 OG SER A 31 8.077 -15.198 8.421 1.00 0.00 O ATOM 0 H SER A 31 5.763 -14.737 5.402 1.00 0.00 H new ATOM 0 HA SER A 31 5.918 -13.731 8.103 1.00 0.00 H new ATOM 0 HB2 SER A 31 6.687 -15.996 7.125 1.00 0.00 H new ATOM 0 HB3 SER A 31 7.997 -15.115 6.363 1.00 0.00 H new ATOM 0 HG SER A 31 8.617 -16.015 8.409 1.00 0.00 H new ATOM 510 N GLY A 32 7.163 -11.600 7.769 1.00 0.00 N ATOM 511 CA GLY A 32 7.944 -10.390 7.620 1.00 0.00 C ATOM 512 C GLY A 32 7.211 -9.311 6.853 1.00 0.00 C ATOM 513 O GLY A 32 7.842 -8.451 6.209 1.00 0.00 O ATOM 0 H GLY A 32 6.552 -11.618 8.585 1.00 0.00 H new ATOM 0 HA2 GLY A 32 8.211 -10.011 8.607 1.00 0.00 H new ATOM 0 HA3 GLY A 32 8.876 -10.625 7.106 1.00 0.00 H new ATOM 517 N ILE A 33 5.896 -9.339 6.900 1.00 0.00 N ATOM 518 CA ILE A 33 5.102 -8.351 6.231 1.00 0.00 C ATOM 519 C ILE A 33 4.500 -7.433 7.279 1.00 0.00 C ATOM 520 O ILE A 33 4.291 -7.845 8.440 1.00 0.00 O ATOM 521 CB ILE A 33 3.954 -9.012 5.377 1.00 0.00 C ATOM 522 CG1 ILE A 33 3.343 -8.003 4.392 1.00 0.00 C ATOM 523 CG2 ILE A 33 2.845 -9.602 6.273 1.00 0.00 C ATOM 524 CD1 ILE A 33 2.324 -8.624 3.444 1.00 0.00 C ATOM 0 H ILE A 33 5.358 -10.045 7.402 1.00 0.00 H new ATOM 0 HA ILE A 33 5.738 -7.790 5.546 1.00 0.00 H new ATOM 0 HB ILE A 33 4.409 -9.826 4.812 1.00 0.00 H new ATOM 0 HG12 ILE A 33 2.864 -7.202 4.955 1.00 0.00 H new ATOM 0 HG13 ILE A 33 4.142 -7.548 3.807 1.00 0.00 H new ATOM 0 HG21 ILE A 33 2.072 -10.049 5.648 1.00 0.00 H new ATOM 0 HG22 ILE A 33 3.271 -10.365 6.924 1.00 0.00 H new ATOM 0 HG23 ILE A 33 2.408 -8.809 6.880 1.00 0.00 H new ATOM 0 HD11 ILE A 33 1.933 -7.856 2.777 1.00 0.00 H new ATOM 0 HD12 ILE A 33 2.804 -9.406 2.856 1.00 0.00 H new ATOM 0 HD13 ILE A 33 1.506 -9.055 4.021 1.00 0.00 H new ATOM 536 N ASP A 34 4.286 -6.206 6.934 1.00 0.00 N ATOM 537 CA ASP A 34 3.570 -5.334 7.821 1.00 0.00 C ATOM 538 C ASP A 34 2.142 -5.449 7.401 1.00 0.00 C ATOM 539 O ASP A 34 1.763 -4.864 6.410 1.00 0.00 O ATOM 540 CB ASP A 34 4.025 -3.879 7.718 1.00 0.00 C ATOM 541 CG ASP A 34 3.455 -3.048 8.842 1.00 0.00 C ATOM 542 OD1 ASP A 34 2.261 -2.731 8.831 1.00 0.00 O ATOM 543 OD2 ASP A 34 4.207 -2.730 9.787 1.00 0.00 O ATOM 0 H ASP A 34 4.590 -5.783 6.057 1.00 0.00 H new ATOM 0 HA ASP A 34 3.742 -5.621 8.858 1.00 0.00 H new ATOM 0 HB2 ASP A 34 5.114 -3.833 7.744 1.00 0.00 H new ATOM 0 HB3 ASP A 34 3.711 -3.464 6.760 1.00 0.00 H new ATOM 548 N LYS A 35 1.364 -6.240 8.127 1.00 0.00 N ATOM 549 CA LYS A 35 0.010 -6.603 7.719 1.00 0.00 C ATOM 550 C LYS A 35 -0.917 -5.384 7.603 1.00 0.00 C ATOM 551 O LYS A 35 -1.869 -5.382 6.817 1.00 0.00 O ATOM 552 CB LYS A 35 -0.609 -7.591 8.696 1.00 0.00 C ATOM 553 CG LYS A 35 -1.826 -8.301 8.114 1.00 0.00 C ATOM 554 CD LYS A 35 -2.784 -8.788 9.179 1.00 0.00 C ATOM 555 CE LYS A 35 -3.535 -7.623 9.815 1.00 0.00 C ATOM 556 NZ LYS A 35 -4.538 -8.063 10.796 1.00 0.00 N ATOM 0 H LYS A 35 1.652 -6.649 9.016 1.00 0.00 H new ATOM 0 HA LYS A 35 0.107 -7.060 6.734 1.00 0.00 H new ATOM 0 HB2 LYS A 35 0.138 -8.332 8.981 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -0.899 -7.065 9.605 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -2.351 -7.622 7.442 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -1.494 -9.149 7.515 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -3.496 -9.487 8.740 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -2.234 -9.332 9.946 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -2.822 -6.959 10.304 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -4.027 -7.043 9.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -5.019 -7.233 11.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -5.237 -8.675 10.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -4.069 -8.593 11.558 1.00 0.00 H new ATOM 570 N ASN A 36 -0.617 -4.348 8.344 1.00 0.00 N ATOM 571 CA ASN A 36 -1.454 -3.182 8.369 1.00 0.00 C ATOM 572 C ASN A 36 -1.109 -2.247 7.240 1.00 0.00 C ATOM 573 O ASN A 36 -1.860 -1.335 6.937 1.00 0.00 O ATOM 574 CB ASN A 36 -1.352 -2.466 9.710 1.00 0.00 C ATOM 575 CG ASN A 36 -1.938 -3.259 10.859 1.00 0.00 C ATOM 576 OD1 ASN A 36 -3.128 -3.151 11.166 1.00 0.00 O ATOM 577 ND2 ASN A 36 -1.119 -4.025 11.526 1.00 0.00 N ATOM 0 H ASN A 36 0.208 -4.291 8.941 1.00 0.00 H new ATOM 0 HA ASN A 36 -2.485 -3.509 8.236 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -0.304 -2.253 9.922 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -1.864 -1.506 9.641 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -1.457 -4.557 12.328 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -0.141 -4.092 11.246 1.00 0.00 H new ATOM 584 N ALA A 37 0.003 -2.507 6.577 1.00 0.00 N ATOM 585 CA ALA A 37 0.456 -1.663 5.482 1.00 0.00 C ATOM 586 C ALA A 37 -0.235 -2.037 4.180 1.00 0.00 C ATOM 587 O ALA A 37 -0.064 -1.364 3.159 1.00 0.00 O ATOM 588 CB ALA A 37 1.958 -1.772 5.329 1.00 0.00 C ATOM 0 H ALA A 37 0.613 -3.299 6.778 1.00 0.00 H new ATOM 0 HA ALA A 37 0.196 -0.631 5.717 1.00 0.00 H new ATOM 0 HB1 ALA A 37 2.287 -1.137 4.507 1.00 0.00 H new ATOM 0 HB2 ALA A 37 2.442 -1.451 6.252 1.00 0.00 H new ATOM 0 HB3 ALA A 37 2.228 -2.807 5.118 1.00 0.00 H new ATOM 594 N LEU A 38 -1.027 -3.098 4.242 1.00 0.00 N ATOM 595 CA LEU A 38 -1.723 -3.645 3.091 1.00 0.00 C ATOM 596 C LEU A 38 -2.986 -2.912 2.788 1.00 0.00 C ATOM 597 O LEU A 38 -3.397 -2.868 1.650 1.00 0.00 O ATOM 598 CB LEU A 38 -2.063 -5.126 3.269 1.00 0.00 C ATOM 599 CG LEU A 38 -0.940 -6.144 3.138 1.00 0.00 C ATOM 600 CD1 LEU A 38 0.089 -5.977 4.180 1.00 0.00 C ATOM 601 CD2 LEU A 38 -1.497 -7.517 3.197 1.00 0.00 C ATOM 0 H LEU A 38 -1.205 -3.609 5.107 1.00 0.00 H new ATOM 0 HA LEU A 38 -1.028 -3.527 2.259 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -2.509 -5.248 4.256 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -2.830 -5.381 2.538 1.00 0.00 H new ATOM 0 HG LEU A 38 -0.459 -5.978 2.174 1.00 0.00 H new ATOM 0 HD11 LEU A 38 0.869 -6.726 4.044 1.00 0.00 H new ATOM 0 HD12 LEU A 38 0.525 -4.981 4.104 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -0.365 -6.100 5.163 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -0.689 -8.242 3.103 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -2.006 -7.663 4.150 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -2.207 -7.657 2.382 1.00 0.00 H new ATOM 613 N ASP A 39 -3.621 -2.349 3.791 1.00 0.00 N ATOM 614 CA ASP A 39 -4.863 -1.642 3.553 1.00 0.00 C ATOM 615 C ASP A 39 -4.559 -0.201 3.187 1.00 0.00 C ATOM 616 O ASP A 39 -4.645 0.727 3.998 1.00 0.00 O ATOM 617 CB ASP A 39 -5.840 -1.784 4.717 1.00 0.00 C ATOM 618 CG ASP A 39 -7.180 -1.132 4.443 1.00 0.00 C ATOM 619 OD1 ASP A 39 -7.715 -1.266 3.320 1.00 0.00 O ATOM 620 OD2 ASP A 39 -7.751 -0.524 5.342 1.00 0.00 O ATOM 0 H ASP A 39 -3.308 -2.364 4.762 1.00 0.00 H new ATOM 0 HA ASP A 39 -5.378 -2.097 2.707 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -5.993 -2.842 4.930 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -5.401 -1.339 5.610 1.00 0.00 H new ATOM 625 N ILE A 40 -4.131 -0.069 1.958 1.00 0.00 N ATOM 626 CA ILE A 40 -3.611 1.146 1.383 1.00 0.00 C ATOM 627 C ILE A 40 -4.709 2.151 1.097 1.00 0.00 C ATOM 628 O ILE A 40 -4.510 3.364 1.213 1.00 0.00 O ATOM 629 CB ILE A 40 -2.804 0.815 0.100 1.00 0.00 C ATOM 630 CG1 ILE A 40 -1.796 -0.277 0.435 1.00 0.00 C ATOM 631 CG2 ILE A 40 -2.071 2.061 -0.397 1.00 0.00 C ATOM 632 CD1 ILE A 40 -1.126 -0.909 -0.748 1.00 0.00 C ATOM 0 H ILE A 40 -4.136 -0.846 1.297 1.00 0.00 H new ATOM 0 HA ILE A 40 -2.945 1.610 2.110 1.00 0.00 H new ATOM 0 HB ILE A 40 -3.480 0.476 -0.685 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -1.029 0.145 1.085 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -2.303 -1.056 1.005 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -1.508 1.817 -1.298 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -2.795 2.843 -0.623 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -1.386 2.412 0.375 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -0.428 -1.673 -0.406 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -1.878 -1.367 -1.391 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -0.584 -0.148 -1.309 1.00 0.00 H new ATOM 644 N ASN A 41 -5.869 1.664 0.745 1.00 0.00 N ATOM 645 CA ASN A 41 -6.978 2.565 0.471 1.00 0.00 C ATOM 646 C ASN A 41 -7.705 2.917 1.775 1.00 0.00 C ATOM 647 O ASN A 41 -8.522 3.851 1.815 1.00 0.00 O ATOM 648 CB ASN A 41 -7.955 1.985 -0.580 1.00 0.00 C ATOM 649 CG ASN A 41 -8.885 0.903 -0.063 1.00 0.00 C ATOM 650 OD1 ASN A 41 -8.585 0.185 0.874 1.00 0.00 O ATOM 651 ND2 ASN A 41 -9.991 0.731 -0.702 1.00 0.00 N ATOM 0 H ASN A 41 -6.078 0.671 0.640 1.00 0.00 H new ATOM 0 HA ASN A 41 -6.568 3.479 0.041 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -8.558 2.799 -0.982 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -7.375 1.579 -1.408 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -10.629 -0.015 -0.425 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -10.228 1.341 -1.485 1.00 0.00 H new ATOM 658 N GLY A 42 -7.373 2.188 2.842 1.00 0.00 N ATOM 659 CA GLY A 42 -7.988 2.418 4.137 1.00 0.00 C ATOM 660 C GLY A 42 -9.484 2.090 4.177 1.00 0.00 C ATOM 661 O GLY A 42 -10.306 2.968 4.465 1.00 0.00 O ATOM 0 H GLY A 42 -6.683 1.437 2.829 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -7.473 1.816 4.886 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -7.847 3.462 4.416 1.00 0.00 H new ATOM 665 N ASP A 43 -9.844 0.855 3.882 1.00 0.00 N ATOM 666 CA ASP A 43 -11.258 0.448 3.923 1.00 0.00 C ATOM 667 C ASP A 43 -11.506 -0.578 5.013 1.00 0.00 C ATOM 668 O ASP A 43 -12.658 -0.873 5.355 1.00 0.00 O ATOM 669 CB ASP A 43 -11.835 -0.039 2.553 1.00 0.00 C ATOM 670 CG ASP A 43 -11.129 -1.229 1.921 1.00 0.00 C ATOM 671 OD1 ASP A 43 -11.157 -1.372 0.686 1.00 0.00 O ATOM 672 OD2 ASP A 43 -10.456 -1.998 2.592 1.00 0.00 O ATOM 0 H ASP A 43 -9.195 0.116 3.613 1.00 0.00 H new ATOM 0 HA ASP A 43 -11.807 1.359 4.160 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -12.885 -0.297 2.694 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -11.802 0.794 1.850 1.00 0.00 H new ATOM 677 N GLY A 44 -10.436 -1.114 5.566 1.00 0.00 N ATOM 678 CA GLY A 44 -10.554 -2.072 6.625 1.00 0.00 C ATOM 679 C GLY A 44 -10.342 -3.500 6.171 1.00 0.00 C ATOM 680 O GLY A 44 -10.354 -4.424 6.988 1.00 0.00 O ATOM 0 H GLY A 44 -9.478 -0.896 5.293 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -9.828 -1.834 7.402 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -11.543 -1.985 7.075 1.00 0.00 H new ATOM 684 N ALA A 45 -10.156 -3.702 4.889 1.00 0.00 N ATOM 685 CA ALA A 45 -9.957 -5.034 4.353 1.00 0.00 C ATOM 686 C ALA A 45 -8.839 -5.028 3.338 1.00 0.00 C ATOM 687 O ALA A 45 -8.589 -4.026 2.698 1.00 0.00 O ATOM 688 CB ALA A 45 -11.242 -5.536 3.716 1.00 0.00 C ATOM 0 H ALA A 45 -10.138 -2.959 4.191 1.00 0.00 H new ATOM 0 HA ALA A 45 -9.683 -5.703 5.168 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -11.083 -6.537 3.316 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -12.032 -5.566 4.466 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -11.534 -4.865 2.908 1.00 0.00 H new ATOM 694 N VAL A 46 -8.175 -6.125 3.187 1.00 0.00 N ATOM 695 CA VAL A 46 -7.125 -6.237 2.242 1.00 0.00 C ATOM 696 C VAL A 46 -7.727 -6.788 0.959 1.00 0.00 C ATOM 697 O VAL A 46 -8.137 -7.952 0.898 1.00 0.00 O ATOM 698 CB VAL A 46 -6.026 -7.166 2.763 1.00 0.00 C ATOM 699 CG1 VAL A 46 -4.910 -7.212 1.783 1.00 0.00 C ATOM 700 CG2 VAL A 46 -5.520 -6.703 4.127 1.00 0.00 C ATOM 0 H VAL A 46 -8.351 -6.975 3.723 1.00 0.00 H new ATOM 0 HA VAL A 46 -6.667 -5.264 2.063 1.00 0.00 H new ATOM 0 HB VAL A 46 -6.441 -8.167 2.884 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -4.127 -7.874 2.154 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -5.279 -7.586 0.828 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -4.504 -6.210 1.647 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -4.740 -7.380 4.475 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -5.114 -5.695 4.042 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -6.344 -6.703 4.840 1.00 0.00 H new ATOM 710 N ASN A 47 -7.856 -5.936 -0.006 1.00 0.00 N ATOM 711 CA ASN A 47 -8.521 -6.251 -1.228 1.00 0.00 C ATOM 712 C ASN A 47 -7.758 -5.742 -2.433 1.00 0.00 C ATOM 713 O ASN A 47 -6.712 -5.096 -2.291 1.00 0.00 O ATOM 714 CB ASN A 47 -9.982 -5.740 -1.177 1.00 0.00 C ATOM 715 CG ASN A 47 -10.164 -4.357 -0.531 1.00 0.00 C ATOM 716 OD1 ASN A 47 -9.328 -3.445 -0.648 1.00 0.00 O ATOM 717 ND2 ASN A 47 -11.220 -4.204 0.201 1.00 0.00 N ATOM 0 H ASN A 47 -7.495 -4.983 0.034 1.00 0.00 H new ATOM 0 HA ASN A 47 -8.554 -7.334 -1.343 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -10.374 -5.704 -2.193 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -10.585 -6.463 -0.628 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -11.376 -3.324 0.693 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -11.896 -4.963 0.286 1.00 0.00 H new ATOM 724 N GLY A 48 -8.291 -6.008 -3.626 1.00 0.00 N ATOM 725 CA GLY A 48 -7.640 -5.601 -4.863 1.00 0.00 C ATOM 726 C GLY A 48 -7.594 -4.103 -5.026 1.00 0.00 C ATOM 727 O GLY A 48 -6.798 -3.590 -5.796 1.00 0.00 O ATOM 0 H GLY A 48 -9.172 -6.504 -3.758 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -6.625 -5.997 -4.882 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -8.169 -6.039 -5.709 1.00 0.00 H new ATOM 731 N ARG A 49 -8.450 -3.398 -4.279 1.00 0.00 N ATOM 732 CA ARG A 49 -8.455 -1.940 -4.267 1.00 0.00 C ATOM 733 C ARG A 49 -7.111 -1.429 -3.779 1.00 0.00 C ATOM 734 O ARG A 49 -6.587 -0.447 -4.294 1.00 0.00 O ATOM 735 CB ARG A 49 -9.519 -1.390 -3.327 1.00 0.00 C ATOM 736 CG ARG A 49 -10.892 -1.960 -3.502 1.00 0.00 C ATOM 737 CD ARG A 49 -11.911 -1.125 -2.748 1.00 0.00 C ATOM 738 NE ARG A 49 -13.264 -1.652 -2.869 1.00 0.00 N ATOM 739 CZ ARG A 49 -14.065 -1.970 -1.839 1.00 0.00 C ATOM 740 NH1 ARG A 49 -13.640 -1.853 -0.574 1.00 0.00 N ATOM 741 NH2 ARG A 49 -15.282 -2.421 -2.076 1.00 0.00 N ATOM 0 H ARG A 49 -9.152 -3.822 -3.672 1.00 0.00 H new ATOM 0 HA ARG A 49 -8.663 -1.609 -5.285 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -9.199 -1.568 -2.300 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -9.574 -0.310 -3.461 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -11.148 -1.989 -4.561 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -10.915 -2.988 -3.140 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -11.634 -1.083 -1.695 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -11.888 -0.102 -3.124 1.00 0.00 H new ATOM 0 HE ARG A 49 -13.632 -1.790 -3.810 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -12.696 -1.518 -0.382 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -14.261 -2.099 0.197 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -15.609 -2.526 -3.036 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -15.896 -2.665 -1.299 1.00 0.00 H new ATOM 755 N ASP A 50 -6.545 -2.143 -2.804 1.00 0.00 N ATOM 756 CA ASP A 50 -5.276 -1.792 -2.197 1.00 0.00 C ATOM 757 C ASP A 50 -4.180 -2.080 -3.151 1.00 0.00 C ATOM 758 O ASP A 50 -3.242 -1.328 -3.251 1.00 0.00 O ATOM 759 CB ASP A 50 -5.030 -2.580 -0.932 1.00 0.00 C ATOM 760 CG ASP A 50 -6.115 -2.434 0.059 1.00 0.00 C ATOM 761 OD1 ASP A 50 -6.367 -1.333 0.542 1.00 0.00 O ATOM 762 OD2 ASP A 50 -6.802 -3.406 0.384 1.00 0.00 O ATOM 0 H ASP A 50 -6.965 -2.988 -2.416 1.00 0.00 H new ATOM 0 HA ASP A 50 -5.306 -0.731 -1.948 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -4.915 -3.634 -1.184 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -4.091 -2.255 -0.485 1.00 0.00 H new ATOM 767 N LEU A 51 -4.328 -3.176 -3.874 1.00 0.00 N ATOM 768 CA LEU A 51 -3.388 -3.559 -4.918 1.00 0.00 C ATOM 769 C LEU A 51 -3.330 -2.461 -5.981 1.00 0.00 C ATOM 770 O LEU A 51 -2.265 -2.074 -6.410 1.00 0.00 O ATOM 771 CB LEU A 51 -3.795 -4.907 -5.544 1.00 0.00 C ATOM 772 CG LEU A 51 -3.005 -5.381 -6.787 1.00 0.00 C ATOM 773 CD1 LEU A 51 -1.506 -5.498 -6.515 1.00 0.00 C ATOM 774 CD2 LEU A 51 -3.540 -6.715 -7.238 1.00 0.00 C ATOM 0 H LEU A 51 -5.104 -3.828 -3.755 1.00 0.00 H new ATOM 0 HA LEU A 51 -2.397 -3.680 -4.481 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -3.708 -5.675 -4.776 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -4.849 -4.847 -5.817 1.00 0.00 H new ATOM 0 HG LEU A 51 -3.137 -4.631 -7.567 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -0.997 -5.834 -7.419 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -1.113 -4.526 -6.218 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -1.337 -6.218 -5.714 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -2.986 -7.052 -8.114 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -3.427 -7.443 -6.435 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -4.595 -6.617 -7.492 1.00 0.00 H new ATOM 786 N MET A 52 -4.501 -1.942 -6.355 1.00 0.00 N ATOM 787 CA MET A 52 -4.611 -0.829 -7.322 1.00 0.00 C ATOM 788 C MET A 52 -3.930 0.425 -6.782 1.00 0.00 C ATOM 789 O MET A 52 -3.250 1.144 -7.521 1.00 0.00 O ATOM 790 CB MET A 52 -6.073 -0.508 -7.629 1.00 0.00 C ATOM 791 CG MET A 52 -6.843 -1.624 -8.295 1.00 0.00 C ATOM 792 SD MET A 52 -8.579 -1.194 -8.537 1.00 0.00 S ATOM 793 CE MET A 52 -9.225 -2.740 -9.180 1.00 0.00 C ATOM 0 H MET A 52 -5.399 -2.273 -6.003 1.00 0.00 H new ATOM 0 HA MET A 52 -4.115 -1.146 -8.239 1.00 0.00 H new ATOM 0 HB2 MET A 52 -6.575 -0.245 -6.698 1.00 0.00 H new ATOM 0 HB3 MET A 52 -6.110 0.372 -8.271 1.00 0.00 H new ATOM 0 HG2 MET A 52 -6.388 -1.854 -9.259 1.00 0.00 H new ATOM 0 HG3 MET A 52 -6.774 -2.526 -7.687 1.00 0.00 H new ATOM 0 HE1 MET A 52 -10.291 -2.634 -9.380 1.00 0.00 H new ATOM 0 HE2 MET A 52 -8.706 -2.995 -10.104 1.00 0.00 H new ATOM 0 HE3 MET A 52 -9.070 -3.532 -8.447 1.00 0.00 H new ATOM 803 N GLU A 53 -4.115 0.673 -5.489 1.00 0.00 N ATOM 804 CA GLU A 53 -3.483 1.793 -4.809 1.00 0.00 C ATOM 805 C GLU A 53 -1.988 1.611 -4.783 1.00 0.00 C ATOM 806 O GLU A 53 -1.247 2.553 -4.965 1.00 0.00 O ATOM 807 CB GLU A 53 -3.987 1.936 -3.381 1.00 0.00 C ATOM 808 CG GLU A 53 -5.427 2.371 -3.250 1.00 0.00 C ATOM 809 CD GLU A 53 -5.693 3.685 -3.932 1.00 0.00 C ATOM 810 OE1 GLU A 53 -5.275 4.740 -3.414 1.00 0.00 O ATOM 811 OE2 GLU A 53 -6.328 3.695 -4.995 1.00 0.00 O ATOM 0 H GLU A 53 -4.707 0.102 -4.886 1.00 0.00 H new ATOM 0 HA GLU A 53 -3.740 2.696 -5.363 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -3.865 0.980 -2.872 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -3.357 2.657 -2.860 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -6.075 1.606 -3.677 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -5.684 2.454 -2.194 1.00 0.00 H new ATOM 818 N LEU A 54 -1.566 0.393 -4.550 1.00 0.00 N ATOM 819 CA LEU A 54 -0.175 0.034 -4.535 1.00 0.00 C ATOM 820 C LEU A 54 0.450 0.288 -5.896 1.00 0.00 C ATOM 821 O LEU A 54 1.501 0.891 -5.981 1.00 0.00 O ATOM 822 CB LEU A 54 -0.023 -1.421 -4.139 1.00 0.00 C ATOM 823 CG LEU A 54 1.389 -1.906 -3.861 1.00 0.00 C ATOM 824 CD1 LEU A 54 2.056 -1.028 -2.823 1.00 0.00 C ATOM 825 CD2 LEU A 54 1.345 -3.329 -3.378 1.00 0.00 C ATOM 0 H LEU A 54 -2.193 -0.389 -4.362 1.00 0.00 H new ATOM 0 HA LEU A 54 0.344 0.651 -3.802 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -0.625 -1.596 -3.247 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -0.444 -2.036 -4.934 1.00 0.00 H new ATOM 0 HG LEU A 54 1.969 -1.853 -4.782 1.00 0.00 H new ATOM 0 HD11 LEU A 54 3.067 -1.390 -2.636 1.00 0.00 H new ATOM 0 HD12 LEU A 54 2.100 -0.002 -3.188 1.00 0.00 H new ATOM 0 HD13 LEU A 54 1.482 -1.059 -1.897 1.00 0.00 H new ATOM 0 HD21 LEU A 54 2.359 -3.677 -3.179 1.00 0.00 H new ATOM 0 HD22 LEU A 54 0.756 -3.385 -2.463 1.00 0.00 H new ATOM 0 HD23 LEU A 54 0.889 -3.959 -4.142 1.00 0.00 H new ATOM 837 N ILE A 55 -0.232 -0.149 -6.946 1.00 0.00 N ATOM 838 CA ILE A 55 0.189 0.100 -8.338 1.00 0.00 C ATOM 839 C ILE A 55 0.355 1.613 -8.559 1.00 0.00 C ATOM 840 O ILE A 55 1.352 2.047 -9.088 1.00 0.00 O ATOM 841 CB ILE A 55 -0.837 -0.496 -9.358 1.00 0.00 C ATOM 842 CG1 ILE A 55 -0.942 -2.024 -9.169 1.00 0.00 C ATOM 843 CG2 ILE A 55 -0.438 -0.162 -10.805 1.00 0.00 C ATOM 844 CD1 ILE A 55 -2.054 -2.685 -9.970 1.00 0.00 C ATOM 0 H ILE A 55 -1.095 -0.687 -6.868 1.00 0.00 H new ATOM 0 HA ILE A 55 1.144 -0.398 -8.507 1.00 0.00 H new ATOM 0 HB ILE A 55 -1.811 -0.045 -9.166 1.00 0.00 H new ATOM 0 HG12 ILE A 55 0.009 -2.478 -9.449 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -1.098 -2.236 -8.111 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -1.169 -0.589 -11.492 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -0.408 0.920 -10.934 1.00 0.00 H new ATOM 0 HG23 ILE A 55 0.546 -0.580 -11.017 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -2.054 -3.758 -9.776 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -3.015 -2.263 -9.675 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -1.891 -2.508 -11.033 1.00 0.00 H new ATOM 856 N LYS A 56 -0.619 2.383 -8.087 1.00 0.00 N ATOM 857 CA LYS A 56 -0.587 3.858 -8.101 1.00 0.00 C ATOM 858 C LYS A 56 0.695 4.396 -7.432 1.00 0.00 C ATOM 859 O LYS A 56 1.415 5.219 -8.015 1.00 0.00 O ATOM 860 CB LYS A 56 -1.824 4.365 -7.347 1.00 0.00 C ATOM 861 CG LYS A 56 -1.814 5.837 -6.922 1.00 0.00 C ATOM 862 CD LYS A 56 -3.026 6.163 -6.047 1.00 0.00 C ATOM 863 CE LYS A 56 -4.342 5.978 -6.793 1.00 0.00 C ATOM 864 NZ LYS A 56 -5.511 6.203 -5.922 1.00 0.00 N ATOM 0 H LYS A 56 -1.471 2.003 -7.675 1.00 0.00 H new ATOM 0 HA LYS A 56 -0.591 4.212 -9.132 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -2.698 4.198 -7.976 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -1.953 3.754 -6.454 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -0.897 6.055 -6.375 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -1.817 6.475 -7.806 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -3.018 5.523 -5.165 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -2.952 7.192 -5.695 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -4.380 6.668 -7.636 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -4.386 4.970 -7.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -5.984 5.296 -5.734 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -5.199 6.623 -5.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -6.176 6.849 -6.393 1.00 0.00 H new ATOM 878 N LYS A 57 0.973 3.889 -6.238 1.00 0.00 N ATOM 879 CA LYS A 57 2.119 4.296 -5.433 1.00 0.00 C ATOM 880 C LYS A 57 3.433 3.961 -6.128 1.00 0.00 C ATOM 881 O LYS A 57 4.265 4.835 -6.373 1.00 0.00 O ATOM 882 CB LYS A 57 2.081 3.591 -4.063 1.00 0.00 C ATOM 883 CG LYS A 57 0.851 3.860 -3.201 1.00 0.00 C ATOM 884 CD LYS A 57 0.639 5.338 -2.911 1.00 0.00 C ATOM 885 CE LYS A 57 1.797 5.912 -2.102 1.00 0.00 C ATOM 886 NZ LYS A 57 1.601 7.339 -1.766 1.00 0.00 N ATOM 0 H LYS A 57 0.400 3.172 -5.794 1.00 0.00 H new ATOM 0 HA LYS A 57 2.060 5.376 -5.298 1.00 0.00 H new ATOM 0 HB2 LYS A 57 2.155 2.516 -4.229 1.00 0.00 H new ATOM 0 HB3 LYS A 57 2.966 3.888 -3.500 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -0.031 3.464 -3.704 1.00 0.00 H new ATOM 0 HG3 LYS A 57 0.950 3.321 -2.259 1.00 0.00 H new ATOM 0 HD2 LYS A 57 0.541 5.885 -3.849 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -0.294 5.474 -2.363 1.00 0.00 H new ATOM 0 HE2 LYS A 57 1.913 5.338 -1.183 1.00 0.00 H new ATOM 0 HE3 LYS A 57 2.722 5.799 -2.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 2.415 7.681 -1.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 1.517 7.893 -2.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 0.733 7.447 -1.203 1.00 0.00 H new ATOM 900 N VAL A 58 3.578 2.708 -6.464 1.00 0.00 N ATOM 901 CA VAL A 58 4.773 2.158 -7.069 1.00 0.00 C ATOM 902 C VAL A 58 5.025 2.720 -8.475 1.00 0.00 C ATOM 903 O VAL A 58 6.171 2.852 -8.902 1.00 0.00 O ATOM 904 CB VAL A 58 4.636 0.626 -7.078 1.00 0.00 C ATOM 905 CG1 VAL A 58 5.803 -0.065 -7.754 1.00 0.00 C ATOM 906 CG2 VAL A 58 4.501 0.147 -5.647 1.00 0.00 C ATOM 0 H VAL A 58 2.845 2.013 -6.321 1.00 0.00 H new ATOM 0 HA VAL A 58 5.645 2.449 -6.483 1.00 0.00 H new ATOM 0 HB VAL A 58 3.750 0.368 -7.658 1.00 0.00 H new ATOM 0 HG11 VAL A 58 5.651 -1.144 -7.730 1.00 0.00 H new ATOM 0 HG12 VAL A 58 5.873 0.268 -8.789 1.00 0.00 H new ATOM 0 HG13 VAL A 58 6.726 0.183 -7.230 1.00 0.00 H new ATOM 0 HG21 VAL A 58 4.403 -0.938 -5.634 1.00 0.00 H new ATOM 0 HG22 VAL A 58 5.386 0.438 -5.081 1.00 0.00 H new ATOM 0 HG23 VAL A 58 3.617 0.597 -5.195 1.00 0.00 H new ATOM 916 N SER A 59 3.957 3.072 -9.173 1.00 0.00 N ATOM 917 CA SER A 59 4.072 3.662 -10.499 1.00 0.00 C ATOM 918 C SER A 59 4.643 5.084 -10.402 1.00 0.00 C ATOM 919 O SER A 59 5.370 5.544 -11.291 1.00 0.00 O ATOM 920 CB SER A 59 2.698 3.675 -11.214 1.00 0.00 C ATOM 921 OG SER A 59 2.762 4.215 -12.536 1.00 0.00 O ATOM 0 H SER A 59 2.998 2.959 -8.843 1.00 0.00 H new ATOM 0 HA SER A 59 4.756 3.052 -11.089 1.00 0.00 H new ATOM 0 HB2 SER A 59 2.309 2.658 -11.261 1.00 0.00 H new ATOM 0 HB3 SER A 59 1.992 4.259 -10.623 1.00 0.00 H new ATOM 0 HG SER A 59 1.869 4.198 -12.940 1.00 0.00 H new ATOM 927 N ASN A 60 4.322 5.763 -9.319 1.00 0.00 N ATOM 928 CA ASN A 60 4.758 7.115 -9.109 1.00 0.00 C ATOM 929 C ASN A 60 6.184 7.141 -8.591 1.00 0.00 C ATOM 930 O ASN A 60 7.029 7.890 -9.079 1.00 0.00 O ATOM 931 CB ASN A 60 3.863 7.781 -8.079 1.00 0.00 C ATOM 932 CG ASN A 60 4.032 9.267 -8.063 1.00 0.00 C ATOM 933 OD1 ASN A 60 4.883 9.820 -7.361 1.00 0.00 O ATOM 934 ND2 ASN A 60 3.224 9.924 -8.825 1.00 0.00 N ATOM 0 H ASN A 60 3.750 5.386 -8.563 1.00 0.00 H new ATOM 0 HA ASN A 60 4.707 7.644 -10.061 1.00 0.00 H new ATOM 0 HB2 ASN A 60 2.822 7.537 -8.292 1.00 0.00 H new ATOM 0 HB3 ASN A 60 4.088 7.380 -7.091 1.00 0.00 H new ATOM 0 HD21 ASN A 60 3.274 10.942 -8.864 1.00 0.00 H new ATOM 0 HD22 ASN A 60 2.536 9.425 -9.389 1.00 0.00 H new ATOM 941 N ASN A 61 6.439 6.297 -7.631 1.00 0.00 N ATOM 942 CA ASN A 61 7.696 6.264 -6.916 1.00 0.00 C ATOM 943 C ASN A 61 8.657 5.222 -7.555 1.00 0.00 C ATOM 944 O ASN A 61 8.459 4.819 -8.703 1.00 0.00 O ATOM 945 CB ASN A 61 7.372 5.936 -5.450 1.00 0.00 C ATOM 946 CG ASN A 61 8.493 6.180 -4.451 1.00 0.00 C ATOM 947 OD1 ASN A 61 8.598 5.490 -3.463 1.00 0.00 O ATOM 948 ND2 ASN A 61 9.299 7.165 -4.674 1.00 0.00 N ATOM 0 H ASN A 61 5.769 5.596 -7.313 1.00 0.00 H new ATOM 0 HA ASN A 61 8.211 7.223 -6.970 1.00 0.00 H new ATOM 0 HB2 ASN A 61 6.507 6.527 -5.148 1.00 0.00 H new ATOM 0 HB3 ASN A 61 7.079 4.888 -5.389 1.00 0.00 H new ATOM 0 HD21 ASN A 61 10.044 7.375 -4.010 1.00 0.00 H new ATOM 0 HD22 ASN A 61 9.190 7.733 -5.514 1.00 0.00 H new ATOM 955 N THR A 62 9.700 4.838 -6.836 1.00 0.00 N ATOM 956 CA THR A 62 10.686 3.909 -7.318 1.00 0.00 C ATOM 957 C THR A 62 10.157 2.471 -7.222 1.00 0.00 C ATOM 958 O THR A 62 10.012 1.936 -6.127 1.00 0.00 O ATOM 959 CB THR A 62 11.967 4.054 -6.476 1.00 0.00 C ATOM 960 OG1 THR A 62 12.298 5.456 -6.386 1.00 0.00 O ATOM 961 CG2 THR A 62 13.133 3.310 -7.116 1.00 0.00 C ATOM 0 H THR A 62 9.880 5.173 -5.889 1.00 0.00 H new ATOM 0 HA THR A 62 10.906 4.126 -8.363 1.00 0.00 H new ATOM 0 HB THR A 62 11.790 3.629 -5.488 1.00 0.00 H new ATOM 0 HG1 THR A 62 13.112 5.566 -5.851 1.00 0.00 H new ATOM 0 HG21 THR A 62 14.024 3.430 -6.499 1.00 0.00 H new ATOM 0 HG22 THR A 62 12.888 2.251 -7.197 1.00 0.00 H new ATOM 0 HG23 THR A 62 13.322 3.716 -8.110 1.00 0.00 H new ATOM 969 N SER A 63 9.861 1.891 -8.368 1.00 0.00 N ATOM 970 CA SER A 63 9.353 0.546 -8.456 1.00 0.00 C ATOM 971 C SER A 63 10.479 -0.440 -8.170 1.00 0.00 C ATOM 972 O SER A 63 11.497 -0.424 -8.903 1.00 0.00 O ATOM 973 CB SER A 63 8.802 0.294 -9.848 1.00 0.00 C ATOM 974 OG SER A 63 8.051 1.418 -10.316 1.00 0.00 O ATOM 975 OXT SER A 63 10.355 -1.259 -7.255 1.00 0.00 O ATOM 0 H SER A 63 9.970 2.350 -9.272 1.00 0.00 H new ATOM 0 HA SER A 63 8.556 0.414 -7.725 1.00 0.00 H new ATOM 0 HB2 SER A 63 9.623 0.089 -10.536 1.00 0.00 H new ATOM 0 HB3 SER A 63 8.167 -0.592 -9.836 1.00 0.00 H new ATOM 0 HG SER A 63 7.454 1.731 -9.605 1.00 0.00 H new TER 981 SER A 63 HETATM 982 CA CA A 101 8.472 -1.479 -0.080 1.00 0.00 CA HETATM 983 CA CA A 102 -8.474 -2.127 1.362 1.00 0.00 CA