USER MOD reduce.3.24.130724 H: found=0, std=0, add=1024, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 1023 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 105 GLN : amide:sc= -5.18! C(o=-14!,f=-26!) USER MOD Set 1.2: A 107 ASN :FLIP amide:sc= -9.22! C(o=-19!,f=-14!) USER MOD Set 2.1: A 103 THR OG1 : rot -49:sc= 1.27 USER MOD Set 2.2: A 116 GLN :FLIP amide:sc= -0.655 F(o=-0.076,f=0.62) USER MOD Set 3.1: A 27 GLN :FLIP amide:sc= -3.4! C(o=-13!,f=-10!) USER MOD Set 3.2: A 62 HIS : no HE2:sc= -7! C(o=-10!,f=-13!) USER MOD Single : A 8 GLN :FLIP amide:sc= -3.67 F(o=-4.2!,f=-3.7) USER MOD Single : A 9 SER OG : rot 180:sc= -0.152 USER MOD Single : A 13 GLN :FLIP amide:sc= -0.44 F(o=-1.8,f=-0.44) USER MOD Single : A 15 THR OG1 : rot -62:sc= 0.819 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 CYS SG : rot 40:sc= -0.0691 USER MOD Single : A 31 CYS SG : rot 24:sc= 1.04 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 GLN :FLIP amide:sc= -2.36! C(o=-4.2!,f=-2.4!) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 46 TYR OH : rot 153:sc= -1.05! USER MOD Single : A 50 ASN : amide:sc= -0.0255 K(o=-0.025,f=-1) USER MOD Single : A 53 GLN :FLIP amide:sc= -4.04! C(o=-4.6!,f=-4!) USER MOD Single : A 55 HIS : no HE2:sc= -4.28 K(o=-4.3,f=-9.9!) USER MOD Single : A 60 TYR OH : rot 180:sc= -0.496 USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 81 SER OG : rot -75:sc= 1.09 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 90 SER OG : rot -5:sc= 0.757 USER MOD Single : A 100 SER OG : rot -34:sc= 0.174 USER MOD Single : A 108 THR OG1 : rot -170:sc= -0.707 USER MOD Single : A 112 LYS NZ :NH3+ -163:sc= -0.0268 (180deg=-0.323) USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD Single : A 122 HIS : no HD1:sc= -1.83 X(o=-1.8,f=-2!) USER MOD Single : A 123 THR OG1 : rot 180:sc= -0.389 USER MOD Single : A 125 THR OG1 : rot 180:sc= 0 USER MOD Single : A 128 GLN : amide:sc= -0.603 X(o=-0.6,f=-0.6) USER MOD Single : A 134 CYS SG : rot 68:sc= -0.302 USER MOD Single : A 150 SER OG : rot -79:sc= 0.836 USER MOD Single : A 152 HIS : no HD1:sc= -0.148 X(o=-0.15,f=-0.23) USER MOD Single : A 153 THR OG1 : rot 180:sc= 0 USER MOD Single : A 154 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 78 N ASP A 7 -9.696 9.154 -6.283 1.00 1.00 N ATOM 79 CA ASP A 7 -9.783 9.918 -5.042 1.00 1.00 C ATOM 80 C ASP A 7 -8.983 9.240 -3.933 1.00 1.00 C ATOM 81 O ASP A 7 -8.654 9.858 -2.922 1.00 1.00 O ATOM 82 CB ASP A 7 -11.240 10.042 -4.604 1.00 1.00 C ATOM 83 CG ASP A 7 -11.989 10.993 -5.531 1.00 1.00 C ATOM 84 OD1 ASP A 7 -11.332 11.716 -6.263 1.00 1.00 O ATOM 85 OD2 ASP A 7 -13.208 10.986 -5.497 1.00 1.00 O ATOM 0 HA ASP A 7 -9.368 10.909 -5.225 1.00 1.00 H new ATOM 0 HB2 ASP A 7 -11.716 9.061 -4.616 1.00 1.00 H new ATOM 0 HB3 ASP A 7 -11.289 10.408 -3.578 1.00 1.00 H new ATOM 90 N GLN A 8 -8.680 7.963 -4.137 1.00 1.00 N ATOM 91 CA GLN A 8 -7.919 7.195 -3.156 1.00 1.00 C ATOM 92 C GLN A 8 -6.810 8.056 -2.545 1.00 1.00 C ATOM 93 O GLN A 8 -6.735 8.222 -1.329 1.00 1.00 O ATOM 94 CB GLN A 8 -7.294 5.982 -3.841 1.00 1.00 C ATOM 95 CG GLN A 8 -8.375 5.153 -4.536 1.00 1.00 C ATOM 96 CD GLN A 8 -9.431 4.706 -3.537 1.00 1.00 C ATOM 97 OE1 GLN A 8 -9.388 3.492 -3.075 1.00 1.00 O flip ATOM 98 NE2 GLN A 8 -10.312 5.481 -3.167 1.00 1.00 N flip ATOM 0 H GLN A 8 -8.948 7.438 -4.970 1.00 1.00 H new ATOM 0 HA GLN A 8 -8.593 6.872 -2.362 1.00 1.00 H new ATOM 0 HB2 GLN A 8 -6.552 6.309 -4.569 1.00 1.00 H new ATOM 0 HB3 GLN A 8 -6.772 5.369 -3.106 1.00 1.00 H new ATOM 0 HG2 GLN A 8 -8.840 5.742 -5.327 1.00 1.00 H new ATOM 0 HG3 GLN A 8 -7.924 4.282 -5.011 1.00 1.00 H new ATOM 0 HE21 GLN A 8 -10.341 6.433 -3.533 1.00 1.00 H new ATOM 0 HE22 GLN A 8 -11.014 5.172 -2.494 1.00 1.00 H new ATOM 107 N SER A 9 -5.942 8.582 -3.400 1.00 1.00 N ATOM 108 CA SER A 9 -4.829 9.410 -2.937 1.00 1.00 C ATOM 109 C SER A 9 -5.328 10.525 -2.022 1.00 1.00 C ATOM 110 O SER A 9 -4.743 10.780 -0.970 1.00 1.00 O ATOM 111 CB SER A 9 -4.099 10.021 -4.132 1.00 1.00 C ATOM 112 OG SER A 9 -4.968 10.922 -4.803 1.00 1.00 O ATOM 0 H SER A 9 -5.984 8.453 -4.411 1.00 1.00 H new ATOM 0 HA SER A 9 -4.143 8.776 -2.376 1.00 1.00 H new ATOM 0 HB2 SER A 9 -3.203 10.544 -3.797 1.00 1.00 H new ATOM 0 HB3 SER A 9 -3.774 9.236 -4.814 1.00 1.00 H new ATOM 0 HG SER A 9 -4.502 11.317 -5.569 1.00 1.00 H new ATOM 118 N VAL A 10 -6.409 11.182 -2.420 1.00 1.00 N ATOM 119 CA VAL A 10 -6.966 12.256 -1.606 1.00 1.00 C ATOM 120 C VAL A 10 -7.454 11.702 -0.270 1.00 1.00 C ATOM 121 O VAL A 10 -7.162 12.254 0.791 1.00 1.00 O ATOM 122 CB VAL A 10 -8.124 12.926 -2.350 1.00 1.00 C ATOM 123 CG1 VAL A 10 -8.791 13.966 -1.447 1.00 1.00 C ATOM 124 CG2 VAL A 10 -7.586 13.613 -3.608 1.00 1.00 C ATOM 0 H VAL A 10 -6.912 10.995 -3.288 1.00 1.00 H new ATOM 0 HA VAL A 10 -6.189 12.997 -1.417 1.00 1.00 H new ATOM 0 HB VAL A 10 -8.859 12.171 -2.628 1.00 1.00 H new ATOM 0 HG11 VAL A 10 -9.614 14.439 -1.983 1.00 1.00 H new ATOM 0 HG12 VAL A 10 -9.174 13.478 -0.551 1.00 1.00 H new ATOM 0 HG13 VAL A 10 -8.060 14.723 -1.163 1.00 1.00 H new ATOM 0 HG21 VAL A 10 -8.408 14.091 -4.141 1.00 1.00 H new ATOM 0 HG22 VAL A 10 -6.850 14.365 -3.325 1.00 1.00 H new ATOM 0 HG23 VAL A 10 -7.117 12.872 -4.255 1.00 1.00 H new ATOM 134 N ALA A 11 -8.213 10.614 -0.338 1.00 1.00 N ATOM 135 CA ALA A 11 -8.767 9.989 0.856 1.00 1.00 C ATOM 136 C ALA A 11 -7.725 9.899 1.963 1.00 1.00 C ATOM 137 O ALA A 11 -8.025 10.183 3.121 1.00 1.00 O ATOM 138 CB ALA A 11 -9.280 8.585 0.526 1.00 1.00 C ATOM 0 H ALA A 11 -8.459 10.146 -1.210 1.00 1.00 H new ATOM 0 HA ALA A 11 -9.593 10.609 1.205 1.00 1.00 H new ATOM 0 HB1 ALA A 11 -9.692 8.127 1.425 1.00 1.00 H new ATOM 0 HB2 ALA A 11 -10.057 8.651 -0.236 1.00 1.00 H new ATOM 0 HB3 ALA A 11 -8.457 7.975 0.153 1.00 1.00 H new ATOM 144 N ILE A 12 -6.506 9.494 1.616 1.00 1.00 N ATOM 145 CA ILE A 12 -5.462 9.370 2.618 1.00 1.00 C ATOM 146 C ILE A 12 -5.185 10.725 3.264 1.00 1.00 C ATOM 147 O ILE A 12 -5.210 10.865 4.487 1.00 1.00 O ATOM 148 CB ILE A 12 -4.183 8.850 1.954 1.00 1.00 C ATOM 149 CG1 ILE A 12 -4.482 7.536 1.208 1.00 1.00 C ATOM 150 CG2 ILE A 12 -3.092 8.627 3.007 1.00 1.00 C ATOM 151 CD1 ILE A 12 -5.082 6.488 2.157 1.00 1.00 C ATOM 0 H ILE A 12 -6.224 9.251 0.666 1.00 1.00 H new ATOM 0 HA ILE A 12 -5.790 8.672 3.389 1.00 1.00 H new ATOM 0 HB ILE A 12 -3.826 9.591 1.239 1.00 1.00 H new ATOM 0 HG12 ILE A 12 -5.175 7.728 0.389 1.00 1.00 H new ATOM 0 HG13 ILE A 12 -3.564 7.148 0.766 1.00 1.00 H new ATOM 0 HG21 ILE A 12 -2.188 8.257 2.522 1.00 1.00 H new ATOM 0 HG22 ILE A 12 -2.874 9.569 3.511 1.00 1.00 H new ATOM 0 HG23 ILE A 12 -3.436 7.896 3.738 1.00 1.00 H new ATOM 0 HD11 ILE A 12 -5.284 5.570 1.605 1.00 1.00 H new ATOM 0 HD12 ILE A 12 -4.377 6.280 2.962 1.00 1.00 H new ATOM 0 HD13 ILE A 12 -6.012 6.869 2.579 1.00 1.00 H new ATOM 163 N GLN A 13 -4.898 11.711 2.427 1.00 1.00 N ATOM 164 CA GLN A 13 -4.591 13.042 2.934 1.00 1.00 C ATOM 165 C GLN A 13 -5.667 13.473 3.933 1.00 1.00 C ATOM 166 O GLN A 13 -5.347 13.941 5.026 1.00 1.00 O ATOM 167 CB GLN A 13 -4.455 14.057 1.772 1.00 1.00 C ATOM 168 CG GLN A 13 -2.973 14.405 1.558 1.00 1.00 C ATOM 169 CD GLN A 13 -2.448 15.201 2.755 1.00 1.00 C ATOM 170 OE1 GLN A 13 -1.571 14.665 3.572 1.00 1.00 O flip ATOM 171 NE2 GLN A 13 -2.868 16.338 2.968 1.00 1.00 N flip ATOM 0 H GLN A 13 -4.871 11.619 1.411 1.00 1.00 H new ATOM 0 HA GLN A 13 -3.632 13.015 3.451 1.00 1.00 H new ATOM 0 HB2 GLN A 13 -4.875 13.637 0.858 1.00 1.00 H new ATOM 0 HB3 GLN A 13 -5.022 14.960 1.997 1.00 1.00 H new ATOM 0 HG2 GLN A 13 -2.390 13.492 1.433 1.00 1.00 H new ATOM 0 HG3 GLN A 13 -2.855 14.986 0.643 1.00 1.00 H new ATOM 0 HE21 GLN A 13 -3.549 16.757 2.335 1.00 1.00 H new ATOM 0 HE22 GLN A 13 -2.535 16.861 3.778 1.00 1.00 H new ATOM 180 N GLU A 14 -6.933 13.296 3.573 1.00 1.00 N ATOM 181 CA GLU A 14 -8.026 13.658 4.467 1.00 1.00 C ATOM 182 C GLU A 14 -7.837 13.007 5.838 1.00 1.00 C ATOM 183 O GLU A 14 -8.565 13.309 6.783 1.00 1.00 O ATOM 184 CB GLU A 14 -9.352 13.190 3.858 1.00 1.00 C ATOM 185 CG GLU A 14 -9.589 13.913 2.530 1.00 1.00 C ATOM 186 CD GLU A 14 -9.799 15.404 2.774 1.00 1.00 C ATOM 187 OE1 GLU A 14 -10.109 15.761 3.898 1.00 1.00 O ATOM 188 OE2 GLU A 14 -9.643 16.166 1.833 1.00 1.00 O ATOM 0 H GLU A 14 -7.226 12.908 2.677 1.00 1.00 H new ATOM 0 HA GLU A 14 -8.035 14.741 4.593 1.00 1.00 H new ATOM 0 HB2 GLU A 14 -9.330 12.112 3.698 1.00 1.00 H new ATOM 0 HB3 GLU A 14 -10.172 13.394 4.546 1.00 1.00 H new ATOM 0 HG2 GLU A 14 -8.737 13.762 1.868 1.00 1.00 H new ATOM 0 HG3 GLU A 14 -10.461 13.492 2.029 1.00 1.00 H new ATOM 195 N THR A 15 -6.849 12.113 5.935 1.00 1.00 N ATOM 196 CA THR A 15 -6.559 11.418 7.198 1.00 1.00 C ATOM 197 C THR A 15 -5.120 11.659 7.655 1.00 1.00 C ATOM 198 O THR A 15 -4.820 11.548 8.844 1.00 1.00 O ATOM 199 CB THR A 15 -6.777 9.911 7.033 1.00 1.00 C ATOM 200 OG1 THR A 15 -5.750 9.368 6.215 1.00 1.00 O ATOM 201 CG2 THR A 15 -8.136 9.648 6.385 1.00 1.00 C ATOM 0 H THR A 15 -6.238 11.853 5.161 1.00 1.00 H new ATOM 0 HA THR A 15 -7.238 11.817 7.952 1.00 1.00 H new ATOM 0 HB THR A 15 -6.751 9.438 8.015 1.00 1.00 H new ATOM 0 HG1 THR A 15 -5.792 9.775 5.324 1.00 1.00 H new ATOM 0 HG21 THR A 15 -8.283 8.574 6.271 1.00 1.00 H new ATOM 0 HG22 THR A 15 -8.925 10.058 7.016 1.00 1.00 H new ATOM 0 HG23 THR A 15 -8.170 10.125 5.405 1.00 1.00 H new ATOM 209 N LEU A 16 -4.228 11.967 6.717 1.00 1.00 N ATOM 210 CA LEU A 16 -2.826 12.188 7.066 1.00 1.00 C ATOM 211 C LEU A 16 -2.643 13.564 7.697 1.00 1.00 C ATOM 212 O LEU A 16 -3.235 14.549 7.250 1.00 1.00 O ATOM 213 CB LEU A 16 -1.948 12.064 5.815 1.00 1.00 C ATOM 214 CG LEU A 16 -0.452 12.046 6.184 1.00 1.00 C ATOM 215 CD1 LEU A 16 -0.133 10.843 7.099 1.00 1.00 C ATOM 216 CD2 LEU A 16 0.378 11.949 4.887 1.00 1.00 C ATOM 0 H LEU A 16 -4.445 12.068 5.725 1.00 1.00 H new ATOM 0 HA LEU A 16 -2.525 11.431 7.790 1.00 1.00 H new ATOM 0 HB2 LEU A 16 -2.204 11.151 5.277 1.00 1.00 H new ATOM 0 HB3 LEU A 16 -2.149 12.897 5.142 1.00 1.00 H new ATOM 0 HG LEU A 16 -0.202 12.961 6.722 1.00 1.00 H new ATOM 0 HD11 LEU A 16 0.928 10.847 7.349 1.00 1.00 H new ATOM 0 HD12 LEU A 16 -0.721 10.915 8.014 1.00 1.00 H new ATOM 0 HD13 LEU A 16 -0.380 9.916 6.581 1.00 1.00 H new ATOM 0 HD21 LEU A 16 1.439 11.935 5.134 1.00 1.00 H new ATOM 0 HD22 LEU A 16 0.117 11.033 4.356 1.00 1.00 H new ATOM 0 HD23 LEU A 16 0.164 12.810 4.253 1.00 1.00 H new ATOM 228 N VAL A 17 -1.826 13.627 8.743 1.00 1.00 N ATOM 229 CA VAL A 17 -1.574 14.877 9.437 1.00 1.00 C ATOM 230 C VAL A 17 -0.908 15.863 8.490 1.00 1.00 C ATOM 231 O VAL A 17 -0.414 15.481 7.429 1.00 1.00 O ATOM 232 CB VAL A 17 -0.691 14.625 10.668 1.00 1.00 C ATOM 233 CG1 VAL A 17 0.747 14.328 10.232 1.00 1.00 C ATOM 234 CG2 VAL A 17 -0.700 15.859 11.580 1.00 1.00 C ATOM 0 H VAL A 17 -1.328 12.824 9.127 1.00 1.00 H new ATOM 0 HA VAL A 17 -2.520 15.301 9.774 1.00 1.00 H new ATOM 0 HB VAL A 17 -1.087 13.768 11.212 1.00 1.00 H new ATOM 0 HG11 VAL A 17 1.365 14.151 11.112 1.00 1.00 H new ATOM 0 HG12 VAL A 17 0.759 13.443 9.596 1.00 1.00 H new ATOM 0 HG13 VAL A 17 1.142 15.179 9.677 1.00 1.00 H new ATOM 0 HG21 VAL A 17 -0.072 15.672 12.451 1.00 1.00 H new ATOM 0 HG22 VAL A 17 -0.315 16.719 11.032 1.00 1.00 H new ATOM 0 HG23 VAL A 17 -1.720 16.063 11.906 1.00 1.00 H new ATOM 244 N GLU A 18 -0.927 17.128 8.862 1.00 1.00 N ATOM 245 CA GLU A 18 -0.348 18.169 8.023 1.00 1.00 C ATOM 246 C GLU A 18 1.167 18.244 8.176 1.00 1.00 C ATOM 247 O GLU A 18 1.681 18.527 9.260 1.00 1.00 O ATOM 248 CB GLU A 18 -0.961 19.516 8.396 1.00 1.00 C ATOM 249 CG GLU A 18 -2.445 19.518 8.028 1.00 1.00 C ATOM 250 CD GLU A 18 -3.097 20.811 8.499 1.00 1.00 C ATOM 251 OE1 GLU A 18 -2.390 21.642 9.042 1.00 1.00 O ATOM 252 OE2 GLU A 18 -4.293 20.951 8.309 1.00 1.00 O ATOM 0 H GLU A 18 -1.334 17.463 9.735 1.00 1.00 H new ATOM 0 HA GLU A 18 -0.568 17.924 6.984 1.00 1.00 H new ATOM 0 HB2 GLU A 18 -0.839 19.700 9.463 1.00 1.00 H new ATOM 0 HB3 GLU A 18 -0.444 20.321 7.873 1.00 1.00 H new ATOM 0 HG2 GLU A 18 -2.561 19.415 6.949 1.00 1.00 H new ATOM 0 HG3 GLU A 18 -2.943 18.663 8.485 1.00 1.00 H new ATOM 259 N GLY A 19 1.879 18.004 7.073 1.00 1.00 N ATOM 260 CA GLY A 19 3.341 18.062 7.079 1.00 1.00 C ATOM 261 C GLY A 19 3.962 16.945 6.246 1.00 1.00 C ATOM 262 O GLY A 19 5.071 17.091 5.736 1.00 1.00 O ATOM 0 H GLY A 19 1.469 17.769 6.169 1.00 1.00 H new ATOM 0 HA2 GLY A 19 3.667 19.027 6.691 1.00 1.00 H new ATOM 0 HA3 GLY A 19 3.702 17.992 8.105 1.00 1.00 H new ATOM 266 N GLU A 20 3.253 15.824 6.115 1.00 1.00 N ATOM 267 CA GLU A 20 3.773 14.693 5.342 1.00 1.00 C ATOM 268 C GLU A 20 3.422 14.825 3.864 1.00 1.00 C ATOM 269 O GLU A 20 2.884 15.842 3.425 1.00 1.00 O ATOM 270 CB GLU A 20 3.232 13.372 5.894 1.00 1.00 C ATOM 271 CG GLU A 20 3.934 13.010 7.215 1.00 1.00 C ATOM 272 CD GLU A 20 3.353 13.826 8.365 1.00 1.00 C ATOM 273 OE1 GLU A 20 2.524 14.679 8.100 1.00 1.00 O ATOM 274 OE2 GLU A 20 3.746 13.584 9.494 1.00 1.00 O ATOM 0 H GLU A 20 2.332 15.674 6.526 1.00 1.00 H new ATOM 0 HA GLU A 20 4.859 14.698 5.436 1.00 1.00 H new ATOM 0 HB2 GLU A 20 2.157 13.453 6.057 1.00 1.00 H new ATOM 0 HB3 GLU A 20 3.385 12.577 5.165 1.00 1.00 H new ATOM 0 HG2 GLU A 20 3.814 11.946 7.418 1.00 1.00 H new ATOM 0 HG3 GLU A 20 5.004 13.200 7.130 1.00 1.00 H new ATOM 281 N TYR A 21 3.761 13.788 3.099 1.00 1.00 N ATOM 282 CA TYR A 21 3.518 13.784 1.657 1.00 1.00 C ATOM 283 C TYR A 21 3.088 12.406 1.176 1.00 1.00 C ATOM 284 O TYR A 21 3.820 11.430 1.332 1.00 1.00 O ATOM 285 CB TYR A 21 4.808 14.185 0.941 1.00 1.00 C ATOM 286 CG TYR A 21 4.526 14.515 -0.505 1.00 1.00 C ATOM 287 CD1 TYR A 21 4.036 15.780 -0.850 1.00 1.00 C ATOM 288 CD2 TYR A 21 4.769 13.561 -1.499 1.00 1.00 C ATOM 289 CE1 TYR A 21 3.788 16.090 -2.192 1.00 1.00 C ATOM 290 CE2 TYR A 21 4.518 13.871 -2.841 1.00 1.00 C ATOM 291 CZ TYR A 21 4.029 15.137 -3.187 1.00 1.00 C ATOM 292 OH TYR A 21 3.785 15.442 -4.511 1.00 1.00 O ATOM 0 H TYR A 21 4.204 12.941 3.453 1.00 1.00 H new ATOM 0 HA TYR A 21 2.717 14.489 1.435 1.00 1.00 H new ATOM 0 HB2 TYR A 21 5.254 15.047 1.437 1.00 1.00 H new ATOM 0 HB3 TYR A 21 5.532 13.373 1.001 1.00 1.00 H new ATOM 0 HD1 TYR A 21 3.850 16.516 -0.082 1.00 1.00 H new ATOM 0 HD2 TYR A 21 5.150 12.586 -1.231 1.00 1.00 H new ATOM 0 HE1 TYR A 21 3.410 17.066 -2.460 1.00 1.00 H new ATOM 0 HE2 TYR A 21 4.701 13.134 -3.609 1.00 1.00 H new ATOM 0 HH TYR A 21 4.007 14.669 -5.071 1.00 1.00 H new ATOM 302 N CYS A 22 1.923 12.342 0.534 1.00 1.00 N ATOM 303 CA CYS A 22 1.433 11.087 -0.030 1.00 1.00 C ATOM 304 C CYS A 22 1.706 11.122 -1.527 1.00 1.00 C ATOM 305 O CYS A 22 1.530 12.159 -2.165 1.00 1.00 O ATOM 306 CB CYS A 22 -0.067 10.914 0.238 1.00 1.00 C ATOM 307 SG CYS A 22 -0.720 9.593 -0.813 1.00 1.00 S ATOM 0 H CYS A 22 1.304 13.140 0.392 1.00 1.00 H new ATOM 0 HA CYS A 22 1.942 10.242 0.434 1.00 1.00 H new ATOM 0 HB2 CYS A 22 -0.234 10.674 1.288 1.00 1.00 H new ATOM 0 HB3 CYS A 22 -0.593 11.847 0.037 1.00 1.00 H new ATOM 0 HG CYS A 22 0.142 8.622 -0.875 1.00 1.00 H new ATOM 313 N VAL A 23 2.146 10.003 -2.092 1.00 1.00 N ATOM 314 CA VAL A 23 2.452 9.946 -3.528 1.00 1.00 C ATOM 315 C VAL A 23 1.357 9.224 -4.306 1.00 1.00 C ATOM 316 O VAL A 23 1.026 9.606 -5.428 1.00 1.00 O ATOM 317 CB VAL A 23 3.771 9.191 -3.734 1.00 1.00 C ATOM 318 CG1 VAL A 23 4.055 9.022 -5.232 1.00 1.00 C ATOM 319 CG2 VAL A 23 4.914 9.973 -3.089 1.00 1.00 C ATOM 0 H VAL A 23 2.299 9.129 -1.589 1.00 1.00 H new ATOM 0 HA VAL A 23 2.525 10.970 -3.896 1.00 1.00 H new ATOM 0 HB VAL A 23 3.690 8.207 -3.272 1.00 1.00 H new ATOM 0 HG11 VAL A 23 4.994 8.485 -5.366 1.00 1.00 H new ATOM 0 HG12 VAL A 23 3.245 8.458 -5.695 1.00 1.00 H new ATOM 0 HG13 VAL A 23 4.128 10.003 -5.701 1.00 1.00 H new ATOM 0 HG21 VAL A 23 5.851 9.436 -3.236 1.00 1.00 H new ATOM 0 HG22 VAL A 23 4.985 10.959 -3.549 1.00 1.00 H new ATOM 0 HG23 VAL A 23 4.723 10.083 -2.022 1.00 1.00 H new ATOM 329 N ILE A 24 0.818 8.170 -3.714 1.00 1.00 N ATOM 330 CA ILE A 24 -0.212 7.391 -4.380 1.00 1.00 C ATOM 331 C ILE A 24 -0.875 6.423 -3.410 1.00 1.00 C ATOM 332 O ILE A 24 -0.340 6.132 -2.341 1.00 1.00 O ATOM 333 CB ILE A 24 0.422 6.622 -5.538 1.00 1.00 C ATOM 334 CG1 ILE A 24 -0.640 5.805 -6.278 1.00 1.00 C ATOM 335 CG2 ILE A 24 1.498 5.682 -4.997 1.00 1.00 C ATOM 336 CD1 ILE A 24 -0.042 5.260 -7.572 1.00 1.00 C ATOM 0 H ILE A 24 1.073 7.837 -2.784 1.00 1.00 H new ATOM 0 HA ILE A 24 -0.981 8.065 -4.757 1.00 1.00 H new ATOM 0 HB ILE A 24 0.868 7.335 -6.232 1.00 1.00 H new ATOM 0 HG12 ILE A 24 -0.988 4.985 -5.650 1.00 1.00 H new ATOM 0 HG13 ILE A 24 -1.507 6.428 -6.498 1.00 1.00 H new ATOM 0 HG21 ILE A 24 1.950 5.133 -5.823 1.00 1.00 H new ATOM 0 HG22 ILE A 24 2.265 6.263 -4.484 1.00 1.00 H new ATOM 0 HG23 ILE A 24 1.048 4.978 -4.297 1.00 1.00 H new ATOM 0 HD11 ILE A 24 -0.794 4.677 -8.103 1.00 1.00 H new ATOM 0 HD12 ILE A 24 0.284 6.089 -8.200 1.00 1.00 H new ATOM 0 HD13 ILE A 24 0.812 4.624 -7.339 1.00 1.00 H new ATOM 348 N ALA A 25 -2.043 5.923 -3.794 1.00 1.00 N ATOM 349 CA ALA A 25 -2.772 4.982 -2.959 1.00 1.00 C ATOM 350 C ALA A 25 -3.859 4.296 -3.771 1.00 1.00 C ATOM 351 O ALA A 25 -4.791 4.940 -4.229 1.00 1.00 O ATOM 352 CB ALA A 25 -3.409 5.723 -1.784 1.00 1.00 C ATOM 0 H ALA A 25 -2.503 6.153 -4.675 1.00 1.00 H new ATOM 0 HA ALA A 25 -2.077 4.231 -2.584 1.00 1.00 H new ATOM 0 HB1 ALA A 25 -3.955 5.015 -1.160 1.00 1.00 H new ATOM 0 HB2 ALA A 25 -2.630 6.204 -1.192 1.00 1.00 H new ATOM 0 HB3 ALA A 25 -4.097 6.480 -2.161 1.00 1.00 H new ATOM 358 N VAL A 26 -3.739 2.984 -3.950 1.00 1.00 N ATOM 359 CA VAL A 26 -4.730 2.228 -4.716 1.00 1.00 C ATOM 360 C VAL A 26 -5.574 1.386 -3.778 1.00 1.00 C ATOM 361 O VAL A 26 -5.568 1.602 -2.568 1.00 1.00 O ATOM 362 CB VAL A 26 -4.024 1.337 -5.731 1.00 1.00 C ATOM 363 CG1 VAL A 26 -3.159 2.211 -6.640 1.00 1.00 C ATOM 364 CG2 VAL A 26 -3.137 0.333 -4.997 1.00 1.00 C ATOM 0 H VAL A 26 -2.972 2.423 -3.579 1.00 1.00 H new ATOM 0 HA VAL A 26 -5.381 2.923 -5.247 1.00 1.00 H new ATOM 0 HB VAL A 26 -4.761 0.799 -6.327 1.00 1.00 H new ATOM 0 HG11 VAL A 26 -2.649 1.583 -7.371 1.00 1.00 H new ATOM 0 HG12 VAL A 26 -3.790 2.932 -7.159 1.00 1.00 H new ATOM 0 HG13 VAL A 26 -2.420 2.742 -6.039 1.00 1.00 H new ATOM 0 HG21 VAL A 26 -2.632 -0.305 -5.722 1.00 1.00 H new ATOM 0 HG22 VAL A 26 -2.395 0.868 -4.405 1.00 1.00 H new ATOM 0 HG23 VAL A 26 -3.751 -0.282 -4.339 1.00 1.00 H new ATOM 374 N GLN A 27 -6.301 0.424 -4.331 1.00 1.00 N ATOM 375 CA GLN A 27 -7.152 -0.440 -3.524 1.00 1.00 C ATOM 376 C GLN A 27 -7.164 -1.849 -4.093 1.00 1.00 C ATOM 377 O GLN A 27 -6.990 -2.045 -5.293 1.00 1.00 O ATOM 378 CB GLN A 27 -8.573 0.117 -3.513 1.00 1.00 C ATOM 379 CG GLN A 27 -9.444 -0.720 -2.584 1.00 1.00 C ATOM 380 CD GLN A 27 -10.860 -0.183 -2.563 1.00 1.00 C ATOM 381 OE1 GLN A 27 -11.737 -0.776 -1.813 1.00 1.00 O flip ATOM 382 NE2 GLN A 27 -11.171 0.795 -3.242 1.00 1.00 N flip ATOM 0 H GLN A 27 -6.319 0.223 -5.331 1.00 1.00 H new ATOM 0 HA GLN A 27 -6.761 -0.474 -2.507 1.00 1.00 H new ATOM 0 HB2 GLN A 27 -8.565 1.156 -3.182 1.00 1.00 H new ATOM 0 HB3 GLN A 27 -8.986 0.107 -4.522 1.00 1.00 H new ATOM 0 HG2 GLN A 27 -9.447 -1.758 -2.915 1.00 1.00 H new ATOM 0 HG3 GLN A 27 -9.029 -0.708 -1.576 1.00 1.00 H new ATOM 0 HE21 GLN A 27 -10.472 1.252 -3.828 1.00 1.00 H new ATOM 0 HE22 GLN A 27 -12.128 1.148 -3.219 1.00 1.00 H new ATOM 391 N GLY A 28 -7.374 -2.832 -3.222 1.00 1.00 N ATOM 392 CA GLY A 28 -7.408 -4.222 -3.660 1.00 1.00 C ATOM 393 C GLY A 28 -8.336 -5.051 -2.785 1.00 1.00 C ATOM 394 O GLY A 28 -9.375 -4.577 -2.330 1.00 1.00 O ATOM 0 H GLY A 28 -7.521 -2.694 -2.222 1.00 1.00 H new ATOM 0 HA2 GLY A 28 -7.741 -4.271 -4.697 1.00 1.00 H new ATOM 0 HA3 GLY A 28 -6.402 -4.641 -3.628 1.00 1.00 H new ATOM 398 N VAL A 29 -7.937 -6.295 -2.555 1.00 1.00 N ATOM 399 CA VAL A 29 -8.712 -7.217 -1.729 1.00 1.00 C ATOM 400 C VAL A 29 -7.773 -8.126 -0.957 1.00 1.00 C ATOM 401 O VAL A 29 -6.604 -8.239 -1.279 1.00 1.00 O ATOM 402 CB VAL A 29 -9.658 -8.064 -2.598 1.00 1.00 C ATOM 403 CG1 VAL A 29 -10.296 -7.168 -3.661 1.00 1.00 C ATOM 404 CG2 VAL A 29 -8.891 -9.231 -3.267 1.00 1.00 C ATOM 0 H VAL A 29 -7.076 -6.692 -2.931 1.00 1.00 H new ATOM 0 HA VAL A 29 -9.313 -6.635 -1.030 1.00 1.00 H new ATOM 0 HB VAL A 29 -10.436 -8.493 -1.967 1.00 1.00 H new ATOM 0 HG11 VAL A 29 -10.968 -7.761 -4.281 1.00 1.00 H new ATOM 0 HG12 VAL A 29 -10.859 -6.371 -3.175 1.00 1.00 H new ATOM 0 HG13 VAL A 29 -9.516 -6.732 -4.285 1.00 1.00 H new ATOM 0 HG21 VAL A 29 -9.579 -9.817 -3.877 1.00 1.00 H new ATOM 0 HG22 VAL A 29 -8.098 -8.831 -3.898 1.00 1.00 H new ATOM 0 HG23 VAL A 29 -8.455 -9.868 -2.498 1.00 1.00 H new ATOM 414 N LEU A 30 -8.301 -8.807 0.037 1.00 1.00 N ATOM 415 CA LEU A 30 -7.509 -9.756 0.809 1.00 1.00 C ATOM 416 C LEU A 30 -8.383 -10.980 1.021 1.00 1.00 C ATOM 417 O LEU A 30 -9.443 -10.872 1.636 1.00 1.00 O ATOM 418 CB LEU A 30 -7.117 -9.143 2.165 1.00 1.00 C ATOM 419 CG LEU A 30 -5.851 -9.824 2.713 1.00 1.00 C ATOM 420 CD1 LEU A 30 -6.033 -11.349 2.711 1.00 1.00 C ATOM 421 CD2 LEU A 30 -4.619 -9.423 1.858 1.00 1.00 C ATOM 0 H LEU A 30 -9.273 -8.726 0.334 1.00 1.00 H new ATOM 0 HA LEU A 30 -6.589 -10.016 0.286 1.00 1.00 H new ATOM 0 HB2 LEU A 30 -6.942 -8.073 2.051 1.00 1.00 H new ATOM 0 HB3 LEU A 30 -7.936 -9.259 2.874 1.00 1.00 H new ATOM 0 HG LEU A 30 -5.684 -9.494 3.738 1.00 1.00 H new ATOM 0 HD11 LEU A 30 -5.132 -11.823 3.100 1.00 1.00 H new ATOM 0 HD12 LEU A 30 -6.883 -11.615 3.339 1.00 1.00 H new ATOM 0 HD13 LEU A 30 -6.213 -11.693 1.692 1.00 1.00 H new ATOM 0 HD21 LEU A 30 -3.728 -9.910 2.254 1.00 1.00 H new ATOM 0 HD22 LEU A 30 -4.775 -9.736 0.826 1.00 1.00 H new ATOM 0 HD23 LEU A 30 -4.488 -8.342 1.894 1.00 1.00 H new ATOM 433 N CYS A 31 -7.983 -12.134 0.496 1.00 1.00 N ATOM 434 CA CYS A 31 -8.793 -13.341 0.634 1.00 1.00 C ATOM 435 C CYS A 31 -8.199 -14.293 1.663 1.00 1.00 C ATOM 436 O CYS A 31 -7.017 -14.633 1.602 1.00 1.00 O ATOM 437 CB CYS A 31 -8.854 -14.046 -0.721 1.00 1.00 C ATOM 438 SG CYS A 31 -7.237 -14.766 -1.095 1.00 1.00 S ATOM 0 H CYS A 31 -7.114 -12.260 -0.023 1.00 1.00 H new ATOM 0 HA CYS A 31 -9.790 -13.055 0.970 1.00 1.00 H new ATOM 0 HB2 CYS A 31 -9.616 -14.825 -0.704 1.00 1.00 H new ATOM 0 HB3 CYS A 31 -9.138 -13.338 -1.500 1.00 1.00 H new ATOM 0 HG CYS A 31 -6.587 -14.971 0.012 1.00 1.00 H new ATOM 444 N LYS A 32 -9.040 -14.746 2.588 1.00 1.00 N ATOM 445 CA LYS A 32 -8.618 -15.696 3.617 1.00 1.00 C ATOM 446 C LYS A 32 -9.474 -16.949 3.495 1.00 1.00 C ATOM 447 O LYS A 32 -10.672 -16.922 3.778 1.00 1.00 O ATOM 448 CB LYS A 32 -8.775 -15.082 5.012 1.00 1.00 C ATOM 449 CG LYS A 32 -7.880 -13.846 5.117 1.00 1.00 C ATOM 450 CD LYS A 32 -7.947 -13.268 6.530 1.00 1.00 C ATOM 451 CE LYS A 32 -7.151 -11.965 6.578 1.00 1.00 C ATOM 452 NZ LYS A 32 -7.253 -11.365 7.938 1.00 1.00 N ATOM 0 H LYS A 32 -10.020 -14.471 2.648 1.00 1.00 H new ATOM 0 HA LYS A 32 -7.566 -15.947 3.477 1.00 1.00 H new ATOM 0 HB2 LYS A 32 -9.816 -14.809 5.188 1.00 1.00 H new ATOM 0 HB3 LYS A 32 -8.503 -15.810 5.776 1.00 1.00 H new ATOM 0 HG2 LYS A 32 -6.851 -14.110 4.872 1.00 1.00 H new ATOM 0 HG3 LYS A 32 -8.197 -13.095 4.393 1.00 1.00 H new ATOM 0 HD2 LYS A 32 -8.984 -13.085 6.812 1.00 1.00 H new ATOM 0 HD3 LYS A 32 -7.542 -13.982 7.247 1.00 1.00 H new ATOM 0 HE2 LYS A 32 -6.107 -12.156 6.332 1.00 1.00 H new ATOM 0 HE3 LYS A 32 -7.532 -11.267 5.832 1.00 1.00 H new ATOM 0 HZ1 LYS A 32 -6.710 -10.478 7.968 1.00 1.00 H new ATOM 0 HZ2 LYS A 32 -8.250 -11.168 8.157 1.00 1.00 H new ATOM 0 HZ3 LYS A 32 -6.869 -12.029 8.640 1.00 1.00 H new ATOM 466 N GLY A 33 -8.862 -18.041 3.053 1.00 1.00 N ATOM 467 CA GLY A 33 -9.594 -19.290 2.878 1.00 1.00 C ATOM 468 C GLY A 33 -10.699 -19.120 1.838 1.00 1.00 C ATOM 469 O GLY A 33 -10.443 -19.145 0.634 1.00 1.00 O ATOM 0 H GLY A 33 -7.872 -18.088 2.812 1.00 1.00 H new ATOM 0 HA2 GLY A 33 -8.910 -20.079 2.565 1.00 1.00 H new ATOM 0 HA3 GLY A 33 -10.026 -19.602 3.829 1.00 1.00 H new ATOM 473 N ASP A 34 -11.929 -18.934 2.316 1.00 1.00 N ATOM 474 CA ASP A 34 -13.087 -18.742 1.439 1.00 1.00 C ATOM 475 C ASP A 34 -13.850 -17.496 1.871 1.00 1.00 C ATOM 476 O ASP A 34 -15.063 -17.394 1.687 1.00 1.00 O ATOM 477 CB ASP A 34 -14.003 -19.966 1.510 1.00 1.00 C ATOM 478 CG ASP A 34 -13.371 -21.135 0.759 1.00 1.00 C ATOM 479 OD1 ASP A 34 -12.457 -20.897 -0.013 1.00 1.00 O ATOM 480 OD2 ASP A 34 -13.811 -22.254 0.971 1.00 1.00 O ATOM 0 H ASP A 34 -12.151 -18.912 3.311 1.00 1.00 H new ATOM 0 HA ASP A 34 -12.745 -18.617 0.412 1.00 1.00 H new ATOM 0 HB2 ASP A 34 -14.175 -20.242 2.550 1.00 1.00 H new ATOM 0 HB3 ASP A 34 -14.975 -19.729 1.078 1.00 1.00 H new ATOM 485 N SER A 35 -13.111 -16.545 2.442 1.00 1.00 N ATOM 486 CA SER A 35 -13.683 -15.280 2.905 1.00 1.00 C ATOM 487 C SER A 35 -12.951 -14.119 2.251 1.00 1.00 C ATOM 488 O SER A 35 -11.745 -13.958 2.434 1.00 1.00 O ATOM 489 CB SER A 35 -13.539 -15.172 4.425 1.00 1.00 C ATOM 490 OG SER A 35 -14.209 -16.264 5.042 1.00 1.00 O ATOM 0 H SER A 35 -12.106 -16.628 2.596 1.00 1.00 H new ATOM 0 HA SER A 35 -14.739 -15.247 2.636 1.00 1.00 H new ATOM 0 HB2 SER A 35 -12.485 -15.174 4.702 1.00 1.00 H new ATOM 0 HB3 SER A 35 -13.959 -14.229 4.775 1.00 1.00 H new ATOM 0 HG SER A 35 -14.116 -16.197 6.015 1.00 1.00 H new ATOM 496 N ARG A 36 -13.675 -13.315 1.476 1.00 1.00 N ATOM 497 CA ARG A 36 -13.065 -12.178 0.789 1.00 1.00 C ATOM 498 C ARG A 36 -13.224 -10.905 1.605 1.00 1.00 C ATOM 499 O ARG A 36 -14.252 -10.684 2.248 1.00 1.00 O ATOM 500 CB ARG A 36 -13.724 -11.982 -0.580 1.00 1.00 C ATOM 501 CG ARG A 36 -13.626 -13.268 -1.415 1.00 1.00 C ATOM 502 CD ARG A 36 -12.211 -13.436 -1.981 1.00 1.00 C ATOM 503 NE ARG A 36 -12.168 -14.587 -2.882 1.00 1.00 N ATOM 504 CZ ARG A 36 -11.886 -15.811 -2.438 1.00 1.00 C ATOM 505 NH1 ARG A 36 -11.651 -16.015 -1.169 1.00 1.00 N ATOM 506 NH2 ARG A 36 -11.850 -16.811 -3.274 1.00 1.00 N ATOM 0 H ARG A 36 -14.675 -13.427 1.309 1.00 1.00 H new ATOM 0 HA ARG A 36 -12.003 -12.387 0.663 1.00 1.00 H new ATOM 0 HB2 ARG A 36 -14.770 -11.705 -0.450 1.00 1.00 H new ATOM 0 HB3 ARG A 36 -13.240 -11.161 -1.109 1.00 1.00 H new ATOM 0 HG2 ARG A 36 -13.881 -14.129 -0.798 1.00 1.00 H new ATOM 0 HG3 ARG A 36 -14.348 -13.235 -2.231 1.00 1.00 H new ATOM 0 HD2 ARG A 36 -11.914 -12.534 -2.516 1.00 1.00 H new ATOM 0 HD3 ARG A 36 -11.499 -13.573 -1.168 1.00 1.00 H new ATOM 0 HE ARG A 36 -12.359 -14.449 -3.875 1.00 1.00 H new ATOM 0 HH11 ARG A 36 -11.683 -15.235 -0.513 1.00 1.00 H new ATOM 0 HH12 ARG A 36 -11.436 -16.954 -0.835 1.00 1.00 H new ATOM 0 HH21 ARG A 36 -12.037 -16.655 -4.264 1.00 1.00 H new ATOM 0 HH22 ARG A 36 -11.634 -17.749 -2.938 1.00 1.00 H new ATOM 520 N GLN A 37 -12.189 -10.071 1.573 1.00 1.00 N ATOM 521 CA GLN A 37 -12.186 -8.810 2.307 1.00 1.00 C ATOM 522 C GLN A 37 -11.729 -7.671 1.401 1.00 1.00 C ATOM 523 O GLN A 37 -11.149 -7.902 0.338 1.00 1.00 O ATOM 524 CB GLN A 37 -11.250 -8.933 3.504 1.00 1.00 C ATOM 525 CG GLN A 37 -11.831 -9.950 4.485 1.00 1.00 C ATOM 526 CD GLN A 37 -10.804 -10.277 5.555 1.00 1.00 C ATOM 527 OE1 GLN A 37 -9.987 -11.274 5.363 1.00 1.00 O flip ATOM 528 NE2 GLN A 37 -10.739 -9.607 6.585 1.00 1.00 N flip ATOM 0 H GLN A 37 -11.336 -10.248 1.043 1.00 1.00 H new ATOM 0 HA GLN A 37 -13.196 -8.590 2.653 1.00 1.00 H new ATOM 0 HB2 GLN A 37 -10.259 -9.249 3.177 1.00 1.00 H new ATOM 0 HB3 GLN A 37 -11.132 -7.965 3.991 1.00 1.00 H new ATOM 0 HG2 GLN A 37 -12.734 -9.550 4.945 1.00 1.00 H new ATOM 0 HG3 GLN A 37 -12.119 -10.858 3.954 1.00 1.00 H new ATOM 0 HE21 GLN A 37 -11.382 -8.828 6.728 1.00 1.00 H new ATOM 0 HE22 GLN A 37 -10.042 -9.830 7.296 1.00 1.00 H new ATOM 537 N SER A 38 -11.989 -6.443 1.839 1.00 1.00 N ATOM 538 CA SER A 38 -11.600 -5.252 1.075 1.00 1.00 C ATOM 539 C SER A 38 -10.627 -4.400 1.881 1.00 1.00 C ATOM 540 O SER A 38 -10.901 -4.047 3.028 1.00 1.00 O ATOM 541 CB SER A 38 -12.834 -4.431 0.712 1.00 1.00 C ATOM 542 OG SER A 38 -13.788 -5.272 0.075 1.00 1.00 O ATOM 0 H SER A 38 -12.467 -6.242 2.717 1.00 1.00 H new ATOM 0 HA SER A 38 -11.108 -5.575 0.157 1.00 1.00 H new ATOM 0 HB2 SER A 38 -13.266 -3.986 1.609 1.00 1.00 H new ATOM 0 HB3 SER A 38 -12.557 -3.610 0.051 1.00 1.00 H new ATOM 0 HG SER A 38 -14.583 -4.748 -0.158 1.00 1.00 H new ATOM 548 N ARG A 39 -9.485 -4.077 1.273 1.00 1.00 N ATOM 549 CA ARG A 39 -8.463 -3.270 1.943 1.00 1.00 C ATOM 550 C ARG A 39 -8.046 -2.111 1.054 1.00 1.00 C ATOM 551 O ARG A 39 -8.101 -2.203 -0.168 1.00 1.00 O ATOM 552 CB ARG A 39 -7.241 -4.132 2.249 1.00 1.00 C ATOM 553 CG ARG A 39 -7.606 -5.280 3.204 1.00 1.00 C ATOM 554 CD ARG A 39 -7.702 -4.770 4.649 1.00 1.00 C ATOM 555 NE ARG A 39 -7.875 -5.895 5.567 1.00 1.00 N ATOM 556 CZ ARG A 39 -9.084 -6.336 5.908 1.00 1.00 C ATOM 557 NH1 ARG A 39 -10.149 -5.783 5.394 1.00 1.00 N ATOM 558 NH2 ARG A 39 -9.205 -7.324 6.752 1.00 1.00 N ATOM 0 H ARG A 39 -9.245 -4.360 0.323 1.00 1.00 H new ATOM 0 HA ARG A 39 -8.879 -2.881 2.872 1.00 1.00 H new ATOM 0 HB2 ARG A 39 -6.837 -4.539 1.322 1.00 1.00 H new ATOM 0 HB3 ARG A 39 -6.459 -3.517 2.695 1.00 1.00 H new ATOM 0 HG2 ARG A 39 -8.557 -5.721 2.904 1.00 1.00 H new ATOM 0 HG3 ARG A 39 -6.855 -6.067 3.139 1.00 1.00 H new ATOM 0 HD2 ARG A 39 -6.801 -4.214 4.908 1.00 1.00 H new ATOM 0 HD3 ARG A 39 -8.540 -4.080 4.745 1.00 1.00 H new ATOM 0 HE ARG A 39 -7.050 -6.353 5.955 1.00 1.00 H new ATOM 0 HH11 ARG A 39 -10.055 -5.013 4.731 1.00 1.00 H new ATOM 0 HH12 ARG A 39 -11.075 -6.121 5.655 1.00 1.00 H new ATOM 0 HH21 ARG A 39 -8.373 -7.759 7.151 1.00 1.00 H new ATOM 0 HH22 ARG A 39 -10.132 -7.661 7.013 1.00 1.00 H new ATOM 572 N LEU A 40 -7.624 -1.021 1.686 1.00 1.00 N ATOM 573 CA LEU A 40 -7.193 0.175 0.957 1.00 1.00 C ATOM 574 C LEU A 40 -5.687 0.361 1.104 1.00 1.00 C ATOM 575 O LEU A 40 -5.179 0.527 2.214 1.00 1.00 O ATOM 576 CB LEU A 40 -7.950 1.396 1.507 1.00 1.00 C ATOM 577 CG LEU A 40 -7.543 2.680 0.768 1.00 1.00 C ATOM 578 CD1 LEU A 40 -8.074 2.657 -0.672 1.00 1.00 C ATOM 579 CD2 LEU A 40 -8.136 3.883 1.502 1.00 1.00 C ATOM 0 H LEU A 40 -7.570 -0.937 2.701 1.00 1.00 H new ATOM 0 HA LEU A 40 -7.418 0.064 -0.104 1.00 1.00 H new ATOM 0 HB2 LEU A 40 -9.024 1.238 1.404 1.00 1.00 H new ATOM 0 HB3 LEU A 40 -7.745 1.505 2.572 1.00 1.00 H new ATOM 0 HG LEU A 40 -6.456 2.750 0.743 1.00 1.00 H new ATOM 0 HD11 LEU A 40 -7.778 3.573 -1.184 1.00 1.00 H new ATOM 0 HD12 LEU A 40 -7.660 1.797 -1.199 1.00 1.00 H new ATOM 0 HD13 LEU A 40 -9.161 2.585 -0.658 1.00 1.00 H new ATOM 0 HD21 LEU A 40 -7.853 4.800 0.985 1.00 1.00 H new ATOM 0 HD22 LEU A 40 -9.223 3.798 1.521 1.00 1.00 H new ATOM 0 HD23 LEU A 40 -7.756 3.910 2.523 1.00 1.00 H new ATOM 591 N LEU A 41 -4.967 0.322 -0.021 1.00 1.00 N ATOM 592 CA LEU A 41 -3.514 0.476 -0.004 1.00 1.00 C ATOM 593 C LEU A 41 -3.125 1.950 -0.032 1.00 1.00 C ATOM 594 O LEU A 41 -3.856 2.783 -0.565 1.00 1.00 O ATOM 595 CB LEU A 41 -2.904 -0.223 -1.227 1.00 1.00 C ATOM 596 CG LEU A 41 -2.894 -1.742 -1.024 1.00 1.00 C ATOM 597 CD1 LEU A 41 -4.327 -2.286 -1.039 1.00 1.00 C ATOM 598 CD2 LEU A 41 -2.092 -2.392 -2.155 1.00 1.00 C ATOM 0 H LEU A 41 -5.366 0.186 -0.950 1.00 1.00 H new ATOM 0 HA LEU A 41 -3.135 0.026 0.913 1.00 1.00 H new ATOM 0 HB2 LEU A 41 -3.477 0.027 -2.120 1.00 1.00 H new ATOM 0 HB3 LEU A 41 -1.887 0.135 -1.389 1.00 1.00 H new ATOM 0 HG LEU A 41 -2.438 -1.973 -0.062 1.00 1.00 H new ATOM 0 HD11 LEU A 41 -4.308 -3.366 -0.894 1.00 1.00 H new ATOM 0 HD12 LEU A 41 -4.901 -1.822 -0.236 1.00 1.00 H new ATOM 0 HD13 LEU A 41 -4.793 -2.057 -1.997 1.00 1.00 H new ATOM 0 HD21 LEU A 41 -2.080 -3.473 -2.018 1.00 1.00 H new ATOM 0 HD22 LEU A 41 -2.554 -2.153 -3.113 1.00 1.00 H new ATOM 0 HD23 LEU A 41 -1.070 -2.013 -2.141 1.00 1.00 H new ATOM 610 N GLY A 42 -1.967 2.260 0.545 1.00 1.00 N ATOM 611 CA GLY A 42 -1.475 3.634 0.582 1.00 1.00 C ATOM 612 C GLY A 42 0.051 3.662 0.600 1.00 1.00 C ATOM 613 O GLY A 42 0.685 2.924 1.351 1.00 1.00 O ATOM 0 H GLY A 42 -1.353 1.580 0.993 1.00 1.00 H new ATOM 0 HA2 GLY A 42 -1.843 4.181 -0.286 1.00 1.00 H new ATOM 0 HA3 GLY A 42 -1.863 4.141 1.466 1.00 1.00 H new ATOM 617 N LEU A 43 0.634 4.545 -0.213 1.00 1.00 N ATOM 618 CA LEU A 43 2.092 4.703 -0.269 1.00 1.00 C ATOM 619 C LEU A 43 2.446 6.139 0.086 1.00 1.00 C ATOM 620 O LEU A 43 1.921 7.075 -0.516 1.00 1.00 O ATOM 621 CB LEU A 43 2.597 4.355 -1.673 1.00 1.00 C ATOM 622 CG LEU A 43 4.104 4.623 -1.790 1.00 1.00 C ATOM 623 CD1 LEU A 43 4.867 3.866 -0.692 1.00 1.00 C ATOM 624 CD2 LEU A 43 4.585 4.149 -3.167 1.00 1.00 C ATOM 0 H LEU A 43 0.121 5.162 -0.842 1.00 1.00 H new ATOM 0 HA LEU A 43 2.568 4.030 0.444 1.00 1.00 H new ATOM 0 HB2 LEU A 43 2.391 3.307 -1.889 1.00 1.00 H new ATOM 0 HB3 LEU A 43 2.059 4.945 -2.415 1.00 1.00 H new ATOM 0 HG LEU A 43 4.291 5.690 -1.673 1.00 1.00 H new ATOM 0 HD11 LEU A 43 5.934 4.065 -0.787 1.00 1.00 H new ATOM 0 HD12 LEU A 43 4.522 4.199 0.287 1.00 1.00 H new ATOM 0 HD13 LEU A 43 4.687 2.796 -0.796 1.00 1.00 H new ATOM 0 HD21 LEU A 43 5.655 4.334 -3.262 1.00 1.00 H new ATOM 0 HD22 LEU A 43 4.391 3.082 -3.273 1.00 1.00 H new ATOM 0 HD23 LEU A 43 4.052 4.694 -3.946 1.00 1.00 H new ATOM 636 N VAL A 44 3.319 6.318 1.081 1.00 1.00 N ATOM 637 CA VAL A 44 3.694 7.672 1.512 1.00 1.00 C ATOM 638 C VAL A 44 5.205 7.816 1.616 1.00 1.00 C ATOM 639 O VAL A 44 5.890 6.969 2.191 1.00 1.00 O ATOM 640 CB VAL A 44 3.068 7.965 2.875 1.00 1.00 C ATOM 641 CG1 VAL A 44 3.222 9.450 3.224 1.00 1.00 C ATOM 642 CG2 VAL A 44 1.590 7.587 2.847 1.00 1.00 C ATOM 0 H VAL A 44 3.772 5.562 1.595 1.00 1.00 H new ATOM 0 HA VAL A 44 3.328 8.380 0.768 1.00 1.00 H new ATOM 0 HB VAL A 44 3.579 7.375 3.636 1.00 1.00 H new ATOM 0 HG11 VAL A 44 2.771 9.644 4.197 1.00 1.00 H new ATOM 0 HG12 VAL A 44 4.280 9.708 3.256 1.00 1.00 H new ATOM 0 HG13 VAL A 44 2.724 10.055 2.467 1.00 1.00 H new ATOM 0 HG21 VAL A 44 1.143 7.796 3.819 1.00 1.00 H new ATOM 0 HG22 VAL A 44 1.080 8.170 2.080 1.00 1.00 H new ATOM 0 HG23 VAL A 44 1.490 6.525 2.622 1.00 1.00 H new ATOM 652 N ARG A 45 5.707 8.926 1.082 1.00 1.00 N ATOM 653 CA ARG A 45 7.132 9.235 1.131 1.00 1.00 C ATOM 654 C ARG A 45 7.350 10.424 2.054 1.00 1.00 C ATOM 655 O ARG A 45 6.737 11.478 1.883 1.00 1.00 O ATOM 656 CB ARG A 45 7.648 9.566 -0.271 1.00 1.00 C ATOM 657 CG ARG A 45 9.159 9.815 -0.218 1.00 1.00 C ATOM 658 CD ARG A 45 9.665 10.137 -1.623 1.00 1.00 C ATOM 659 NE ARG A 45 11.121 10.221 -1.633 1.00 1.00 N ATOM 660 CZ ARG A 45 11.765 10.774 -2.655 1.00 1.00 C ATOM 661 NH1 ARG A 45 11.091 11.257 -3.663 1.00 1.00 N ATOM 662 NH2 ARG A 45 13.068 10.834 -2.651 1.00 1.00 N ATOM 0 H ARG A 45 5.143 9.631 0.607 1.00 1.00 H new ATOM 0 HA ARG A 45 7.678 8.370 1.508 1.00 1.00 H new ATOM 0 HB2 ARG A 45 7.428 8.745 -0.953 1.00 1.00 H new ATOM 0 HB3 ARG A 45 7.137 10.448 -0.658 1.00 1.00 H new ATOM 0 HG2 ARG A 45 9.380 10.640 0.459 1.00 1.00 H new ATOM 0 HG3 ARG A 45 9.671 8.936 0.173 1.00 1.00 H new ATOM 0 HD2 ARG A 45 9.334 9.368 -2.321 1.00 1.00 H new ATOM 0 HD3 ARG A 45 9.238 11.080 -1.963 1.00 1.00 H new ATOM 0 HE ARG A 45 11.652 9.850 -0.845 1.00 1.00 H new ATOM 0 HH11 ARG A 45 10.072 11.209 -3.665 1.00 1.00 H new ATOM 0 HH12 ARG A 45 11.583 11.682 -4.449 1.00 1.00 H new ATOM 0 HH21 ARG A 45 13.594 10.456 -1.863 1.00 1.00 H new ATOM 0 HH22 ARG A 45 13.561 11.259 -3.436 1.00 1.00 H new ATOM 676 N TYR A 46 8.223 10.245 3.035 1.00 1.00 N ATOM 677 CA TYR A 46 8.527 11.296 4.001 1.00 1.00 C ATOM 678 C TYR A 46 9.863 11.948 3.653 1.00 1.00 C ATOM 679 O TYR A 46 10.881 11.267 3.556 1.00 1.00 O ATOM 680 CB TYR A 46 8.575 10.671 5.396 1.00 1.00 C ATOM 681 CG TYR A 46 8.881 11.723 6.436 1.00 1.00 C ATOM 682 CD1 TYR A 46 7.976 12.769 6.661 1.00 1.00 C ATOM 683 CD2 TYR A 46 10.062 11.647 7.184 1.00 1.00 C ATOM 684 CE1 TYR A 46 8.256 13.739 7.630 1.00 1.00 C ATOM 685 CE2 TYR A 46 10.340 12.614 8.153 1.00 1.00 C ATOM 686 CZ TYR A 46 9.438 13.660 8.378 1.00 1.00 C ATOM 687 OH TYR A 46 9.713 14.616 9.335 1.00 1.00 O ATOM 0 H TYR A 46 8.737 9.377 3.185 1.00 1.00 H new ATOM 0 HA TYR A 46 7.758 12.069 3.976 1.00 1.00 H new ATOM 0 HB2 TYR A 46 7.620 10.195 5.621 1.00 1.00 H new ATOM 0 HB3 TYR A 46 9.335 9.890 5.425 1.00 1.00 H new ATOM 0 HD1 TYR A 46 7.063 12.826 6.087 1.00 1.00 H new ATOM 0 HD2 TYR A 46 10.759 10.840 7.012 1.00 1.00 H new ATOM 0 HE1 TYR A 46 7.561 14.548 7.801 1.00 1.00 H new ATOM 0 HE2 TYR A 46 11.252 12.554 8.729 1.00 1.00 H new ATOM 0 HH TYR A 46 10.288 14.229 10.028 1.00 1.00 H new ATOM 697 N ARG A 47 9.846 13.267 3.440 1.00 1.00 N ATOM 698 CA ARG A 47 11.064 14.004 3.075 1.00 1.00 C ATOM 699 C ARG A 47 11.516 14.921 4.208 1.00 1.00 C ATOM 700 O ARG A 47 10.715 15.327 5.049 1.00 1.00 O ATOM 701 CB ARG A 47 10.809 14.833 1.809 1.00 1.00 C ATOM 702 CG ARG A 47 12.108 15.519 1.373 1.00 1.00 C ATOM 703 CD ARG A 47 11.913 16.178 0.007 1.00 1.00 C ATOM 704 NE ARG A 47 11.722 15.163 -1.022 1.00 1.00 N ATOM 705 CZ ARG A 47 11.399 15.496 -2.267 1.00 1.00 C ATOM 706 NH1 ARG A 47 11.243 16.752 -2.588 1.00 1.00 N ATOM 707 NH2 ARG A 47 11.238 14.569 -3.171 1.00 1.00 N ATOM 0 H ARG A 47 9.009 13.845 3.513 1.00 1.00 H new ATOM 0 HA ARG A 47 11.856 13.279 2.887 1.00 1.00 H new ATOM 0 HB2 ARG A 47 10.439 14.191 1.010 1.00 1.00 H new ATOM 0 HB3 ARG A 47 10.038 15.580 2.000 1.00 1.00 H new ATOM 0 HG2 ARG A 47 12.400 16.268 2.110 1.00 1.00 H new ATOM 0 HG3 ARG A 47 12.916 14.789 1.323 1.00 1.00 H new ATOM 0 HD2 ARG A 47 11.050 16.843 0.036 1.00 1.00 H new ATOM 0 HD3 ARG A 47 12.780 16.792 -0.235 1.00 1.00 H new ATOM 0 HE ARG A 47 11.839 14.179 -0.782 1.00 1.00 H new ATOM 0 HH11 ARG A 47 11.369 17.478 -1.883 1.00 1.00 H new ATOM 0 HH12 ARG A 47 10.995 17.007 -3.544 1.00 1.00 H new ATOM 0 HH21 ARG A 47 11.360 13.587 -2.922 1.00 1.00 H new ATOM 0 HH22 ARG A 47 10.990 14.826 -4.126 1.00 1.00 H new ATOM 721 N LEU A 48 12.810 15.253 4.207 1.00 1.00 N ATOM 722 CA LEU A 48 13.386 16.136 5.226 1.00 1.00 C ATOM 723 C LEU A 48 14.291 17.180 4.573 1.00 1.00 C ATOM 724 O LEU A 48 14.511 17.159 3.363 1.00 1.00 O ATOM 725 CB LEU A 48 14.206 15.327 6.238 1.00 1.00 C ATOM 726 CG LEU A 48 13.286 14.403 7.052 1.00 1.00 C ATOM 727 CD1 LEU A 48 14.140 13.540 7.992 1.00 1.00 C ATOM 728 CD2 LEU A 48 12.288 15.244 7.881 1.00 1.00 C ATOM 0 H LEU A 48 13.479 14.923 3.511 1.00 1.00 H new ATOM 0 HA LEU A 48 12.566 16.635 5.742 1.00 1.00 H new ATOM 0 HB2 LEU A 48 14.958 14.735 5.717 1.00 1.00 H new ATOM 0 HB3 LEU A 48 14.739 16.002 6.907 1.00 1.00 H new ATOM 0 HG LEU A 48 12.726 13.762 6.371 1.00 1.00 H new ATOM 0 HD11 LEU A 48 13.492 12.883 8.572 1.00 1.00 H new ATOM 0 HD12 LEU A 48 14.834 12.939 7.404 1.00 1.00 H new ATOM 0 HD13 LEU A 48 14.701 14.185 8.668 1.00 1.00 H new ATOM 0 HD21 LEU A 48 11.641 14.580 8.454 1.00 1.00 H new ATOM 0 HD22 LEU A 48 12.838 15.893 8.563 1.00 1.00 H new ATOM 0 HD23 LEU A 48 11.681 15.853 7.211 1.00 1.00 H new ATOM 740 N GLU A 49 14.810 18.089 5.394 1.00 1.00 N ATOM 741 CA GLU A 49 15.695 19.146 4.909 1.00 1.00 C ATOM 742 C GLU A 49 17.149 18.683 4.943 1.00 1.00 C ATOM 743 O GLU A 49 17.864 18.765 3.944 1.00 1.00 O ATOM 744 CB GLU A 49 15.531 20.384 5.790 1.00 1.00 C ATOM 745 CG GLU A 49 14.129 20.963 5.590 1.00 1.00 C ATOM 746 CD GLU A 49 13.904 22.129 6.544 1.00 1.00 C ATOM 747 OE1 GLU A 49 14.815 22.438 7.295 1.00 1.00 O ATOM 748 OE2 GLU A 49 12.825 22.697 6.509 1.00 1.00 O ATOM 0 H GLU A 49 14.633 18.116 6.398 1.00 1.00 H new ATOM 0 HA GLU A 49 15.430 19.386 3.879 1.00 1.00 H new ATOM 0 HB2 GLU A 49 15.683 20.122 6.837 1.00 1.00 H new ATOM 0 HB3 GLU A 49 16.285 21.129 5.535 1.00 1.00 H new ATOM 0 HG2 GLU A 49 14.009 21.297 4.560 1.00 1.00 H new ATOM 0 HG3 GLU A 49 13.380 20.191 5.764 1.00 1.00 H new ATOM 755 N ASN A 50 17.576 18.201 6.106 1.00 1.00 N ATOM 756 CA ASN A 50 18.946 17.726 6.275 1.00 1.00 C ATOM 757 C ASN A 50 19.334 16.799 5.129 1.00 1.00 C ATOM 758 O ASN A 50 20.510 16.482 4.951 1.00 1.00 O ATOM 759 CB ASN A 50 19.079 16.972 7.599 1.00 1.00 C ATOM 760 CG ASN A 50 18.874 17.923 8.772 1.00 1.00 C ATOM 761 OD1 ASN A 50 19.258 19.091 8.702 1.00 1.00 O ATOM 762 ND2 ASN A 50 18.284 17.492 9.854 1.00 1.00 N ATOM 0 H ASN A 50 16.996 18.129 6.942 1.00 1.00 H new ATOM 0 HA ASN A 50 19.611 18.590 6.277 1.00 1.00 H new ATOM 0 HB2 ASN A 50 18.345 16.167 7.642 1.00 1.00 H new ATOM 0 HB3 ASN A 50 20.064 16.510 7.665 1.00 1.00 H new ATOM 0 HD21 ASN A 50 18.141 18.123 10.643 1.00 1.00 H new ATOM 0 HD22 ASN A 50 17.966 16.524 9.911 1.00 1.00 H new ATOM 769 N ASP A 51 18.327 16.350 4.375 1.00 1.00 N ATOM 770 CA ASP A 51 18.535 15.435 3.251 1.00 1.00 C ATOM 771 C ASP A 51 18.457 13.995 3.754 1.00 1.00 C ATOM 772 O ASP A 51 19.461 13.285 3.818 1.00 1.00 O ATOM 773 CB ASP A 51 19.891 15.695 2.562 1.00 1.00 C ATOM 774 CG ASP A 51 19.831 15.297 1.088 1.00 1.00 C ATOM 775 OD1 ASP A 51 18.879 14.634 0.710 1.00 1.00 O ATOM 776 OD2 ASP A 51 20.737 15.665 0.358 1.00 1.00 O ATOM 0 H ASP A 51 17.352 16.608 4.525 1.00 1.00 H new ATOM 0 HA ASP A 51 17.754 15.605 2.510 1.00 1.00 H new ATOM 0 HB2 ASP A 51 20.153 16.749 2.649 1.00 1.00 H new ATOM 0 HB3 ASP A 51 20.675 15.129 3.065 1.00 1.00 H new ATOM 781 N ALA A 52 17.250 13.582 4.109 1.00 1.00 N ATOM 782 CA ALA A 52 17.027 12.235 4.611 1.00 1.00 C ATOM 783 C ALA A 52 15.547 11.880 4.511 1.00 1.00 C ATOM 784 O ALA A 52 14.729 12.352 5.297 1.00 1.00 O ATOM 785 CB ALA A 52 17.491 12.144 6.068 1.00 1.00 C ATOM 0 H ALA A 52 16.411 14.160 4.059 1.00 1.00 H new ATOM 0 HA ALA A 52 17.599 11.529 4.009 1.00 1.00 H new ATOM 0 HB1 ALA A 52 17.323 11.134 6.441 1.00 1.00 H new ATOM 0 HB2 ALA A 52 18.553 12.380 6.127 1.00 1.00 H new ATOM 0 HB3 ALA A 52 16.928 12.853 6.674 1.00 1.00 H new ATOM 791 N GLN A 53 15.213 11.053 3.526 1.00 1.00 N ATOM 792 CA GLN A 53 13.829 10.629 3.303 1.00 1.00 C ATOM 793 C GLN A 53 13.663 9.152 3.636 1.00 1.00 C ATOM 794 O GLN A 53 14.646 8.425 3.777 1.00 1.00 O ATOM 795 CB GLN A 53 13.449 10.862 1.836 1.00 1.00 C ATOM 796 CG GLN A 53 14.594 10.396 0.933 1.00 1.00 C ATOM 797 CD GLN A 53 15.705 11.443 0.920 1.00 1.00 C ATOM 798 OE1 GLN A 53 15.393 12.707 0.852 1.00 1.00 O flip ATOM 799 NE2 GLN A 53 16.885 11.098 0.975 1.00 1.00 N flip ATOM 0 H GLN A 53 15.883 10.660 2.865 1.00 1.00 H new ATOM 0 HA GLN A 53 13.177 11.214 3.952 1.00 1.00 H new ATOM 0 HB2 GLN A 53 12.536 10.317 1.595 1.00 1.00 H new ATOM 0 HB3 GLN A 53 13.244 11.919 1.666 1.00 1.00 H new ATOM 0 HG2 GLN A 53 14.985 9.443 1.289 1.00 1.00 H new ATOM 0 HG3 GLN A 53 14.226 10.231 -0.080 1.00 1.00 H new ATOM 0 HE21 GLN A 53 17.125 10.108 1.028 1.00 1.00 H new ATOM 0 HE22 GLN A 53 17.623 11.802 0.967 1.00 1.00 H new ATOM 808 N GLU A 54 12.412 8.703 3.741 1.00 1.00 N ATOM 809 CA GLU A 54 12.130 7.298 4.031 1.00 1.00 C ATOM 810 C GLU A 54 10.844 6.874 3.327 1.00 1.00 C ATOM 811 O GLU A 54 9.948 7.689 3.107 1.00 1.00 O ATOM 812 CB GLU A 54 11.989 7.060 5.537 1.00 1.00 C ATOM 813 CG GLU A 54 13.286 7.441 6.265 1.00 1.00 C ATOM 814 CD GLU A 54 14.450 6.593 5.760 1.00 1.00 C ATOM 815 OE1 GLU A 54 14.195 5.525 5.229 1.00 1.00 O ATOM 816 OE2 GLU A 54 15.580 7.033 5.899 1.00 1.00 O ATOM 0 H GLU A 54 11.583 9.288 3.630 1.00 1.00 H new ATOM 0 HA GLU A 54 12.967 6.703 3.666 1.00 1.00 H new ATOM 0 HB2 GLU A 54 11.159 7.649 5.928 1.00 1.00 H new ATOM 0 HB3 GLU A 54 11.754 6.013 5.725 1.00 1.00 H new ATOM 0 HG2 GLU A 54 13.502 8.498 6.107 1.00 1.00 H new ATOM 0 HG3 GLU A 54 13.163 7.298 7.339 1.00 1.00 H new ATOM 823 N HIS A 55 10.763 5.592 2.966 1.00 1.00 N ATOM 824 CA HIS A 55 9.584 5.064 2.269 1.00 1.00 C ATOM 825 C HIS A 55 8.981 3.879 3.018 1.00 1.00 C ATOM 826 O HIS A 55 9.688 3.129 3.693 1.00 1.00 O ATOM 827 CB HIS A 55 9.979 4.605 0.868 1.00 1.00 C ATOM 828 CG HIS A 55 10.489 5.774 0.069 1.00 1.00 C ATOM 829 ND1 HIS A 55 11.772 6.275 0.227 1.00 1.00 N ATOM 830 CD2 HIS A 55 9.911 6.532 -0.919 1.00 1.00 C ATOM 831 CE1 HIS A 55 11.923 7.287 -0.647 1.00 1.00 C ATOM 832 NE2 HIS A 55 10.818 7.485 -1.371 1.00 1.00 N ATOM 0 H HIS A 55 11.494 4.902 3.142 1.00 1.00 H new ATOM 0 HA HIS A 55 8.843 5.861 2.216 1.00 1.00 H new ATOM 0 HB2 HIS A 55 10.747 3.834 0.932 1.00 1.00 H new ATOM 0 HB3 HIS A 55 9.120 4.158 0.367 1.00 1.00 H new ATOM 0 HD1 HIS A 55 12.474 5.938 0.886 1.00 1.00 H new ATOM 0 HD2 HIS A 55 8.904 6.407 -1.289 1.00 1.00 H new ATOM 0 HE1 HIS A 55 12.827 7.868 -0.750 1.00 1.00 H new ATOM 840 N ALA A 56 7.669 3.715 2.884 1.00 1.00 N ATOM 841 CA ALA A 56 6.963 2.619 3.534 1.00 1.00 C ATOM 842 C ALA A 56 5.608 2.402 2.847 1.00 1.00 C ATOM 843 O ALA A 56 5.034 3.330 2.282 1.00 1.00 O ATOM 844 CB ALA A 56 6.770 2.931 5.027 1.00 1.00 C ATOM 0 H ALA A 56 7.073 4.329 2.329 1.00 1.00 H new ATOM 0 HA ALA A 56 7.551 1.705 3.447 1.00 1.00 H new ATOM 0 HB1 ALA A 56 6.241 2.107 5.506 1.00 1.00 H new ATOM 0 HB2 ALA A 56 7.743 3.061 5.500 1.00 1.00 H new ATOM 0 HB3 ALA A 56 6.188 3.846 5.135 1.00 1.00 H new ATOM 850 N LEU A 57 5.103 1.173 2.916 1.00 1.00 N ATOM 851 CA LEU A 57 3.810 0.840 2.308 1.00 1.00 C ATOM 852 C LEU A 57 2.716 0.878 3.366 1.00 1.00 C ATOM 853 O LEU A 57 2.586 -0.038 4.176 1.00 1.00 O ATOM 854 CB LEU A 57 3.867 -0.553 1.671 1.00 1.00 C ATOM 855 CG LEU A 57 2.511 -0.915 1.046 1.00 1.00 C ATOM 856 CD1 LEU A 57 2.109 0.131 -0.008 1.00 1.00 C ATOM 857 CD2 LEU A 57 2.626 -2.291 0.385 1.00 1.00 C ATOM 0 H LEU A 57 5.564 0.392 3.383 1.00 1.00 H new ATOM 0 HA LEU A 57 3.587 1.573 1.533 1.00 1.00 H new ATOM 0 HB2 LEU A 57 4.644 -0.579 0.907 1.00 1.00 H new ATOM 0 HB3 LEU A 57 4.136 -1.293 2.425 1.00 1.00 H new ATOM 0 HG LEU A 57 1.748 -0.933 1.824 1.00 1.00 H new ATOM 0 HD11 LEU A 57 1.146 -0.140 -0.441 1.00 1.00 H new ATOM 0 HD12 LEU A 57 2.032 1.111 0.463 1.00 1.00 H new ATOM 0 HD13 LEU A 57 2.864 0.164 -0.794 1.00 1.00 H new ATOM 0 HD21 LEU A 57 1.670 -2.561 -0.063 1.00 1.00 H new ATOM 0 HD22 LEU A 57 3.393 -2.260 -0.389 1.00 1.00 H new ATOM 0 HD23 LEU A 57 2.897 -3.034 1.135 1.00 1.00 H new ATOM 869 N PHE A 58 1.953 1.962 3.370 1.00 1.00 N ATOM 870 CA PHE A 58 0.896 2.145 4.352 1.00 1.00 C ATOM 871 C PHE A 58 -0.334 1.308 4.016 1.00 1.00 C ATOM 872 O PHE A 58 -0.683 1.132 2.849 1.00 1.00 O ATOM 873 CB PHE A 58 0.503 3.625 4.407 1.00 1.00 C ATOM 874 CG PHE A 58 1.603 4.431 5.070 1.00 1.00 C ATOM 875 CD1 PHE A 58 2.866 4.528 4.470 1.00 1.00 C ATOM 876 CD2 PHE A 58 1.359 5.085 6.283 1.00 1.00 C ATOM 877 CE1 PHE A 58 3.879 5.269 5.086 1.00 1.00 C ATOM 878 CE2 PHE A 58 2.371 5.828 6.898 1.00 1.00 C ATOM 879 CZ PHE A 58 3.632 5.920 6.301 1.00 1.00 C ATOM 0 H PHE A 58 2.047 2.728 2.703 1.00 1.00 H new ATOM 0 HA PHE A 58 1.275 1.817 5.320 1.00 1.00 H new ATOM 0 HB2 PHE A 58 0.324 4.000 3.399 1.00 1.00 H new ATOM 0 HB3 PHE A 58 -0.429 3.742 4.961 1.00 1.00 H new ATOM 0 HD1 PHE A 58 3.057 4.030 3.531 1.00 1.00 H new ATOM 0 HD2 PHE A 58 0.386 5.015 6.746 1.00 1.00 H new ATOM 0 HE1 PHE A 58 4.853 5.339 4.624 1.00 1.00 H new ATOM 0 HE2 PHE A 58 2.179 6.331 7.834 1.00 1.00 H new ATOM 0 HZ PHE A 58 4.415 6.493 6.776 1.00 1.00 H new ATOM 889 N LEU A 59 -1.009 0.827 5.061 1.00 1.00 N ATOM 890 CA LEU A 59 -2.236 0.043 4.901 1.00 1.00 C ATOM 891 C LEU A 59 -3.386 0.765 5.586 1.00 1.00 C ATOM 892 O LEU A 59 -3.283 1.176 6.742 1.00 1.00 O ATOM 893 CB LEU A 59 -2.072 -1.364 5.494 1.00 1.00 C ATOM 894 CG LEU A 59 -1.269 -2.263 4.534 1.00 1.00 C ATOM 895 CD1 LEU A 59 -0.773 -3.492 5.298 1.00 1.00 C ATOM 896 CD2 LEU A 59 -2.148 -2.728 3.354 1.00 1.00 C ATOM 0 H LEU A 59 -0.726 0.967 6.031 1.00 1.00 H new ATOM 0 HA LEU A 59 -2.448 -0.062 3.837 1.00 1.00 H new ATOM 0 HB2 LEU A 59 -1.563 -1.303 6.456 1.00 1.00 H new ATOM 0 HB3 LEU A 59 -3.052 -1.804 5.679 1.00 1.00 H new ATOM 0 HG LEU A 59 -0.428 -1.691 4.142 1.00 1.00 H new ATOM 0 HD11 LEU A 59 -0.204 -4.133 4.625 1.00 1.00 H new ATOM 0 HD12 LEU A 59 -0.135 -3.175 6.123 1.00 1.00 H new ATOM 0 HD13 LEU A 59 -1.626 -4.045 5.691 1.00 1.00 H new ATOM 0 HD21 LEU A 59 -1.560 -3.361 2.690 1.00 1.00 H new ATOM 0 HD22 LEU A 59 -2.999 -3.293 3.735 1.00 1.00 H new ATOM 0 HD23 LEU A 59 -2.507 -1.859 2.803 1.00 1.00 H new ATOM 908 N TYR A 60 -4.473 0.927 4.851 1.00 1.00 N ATOM 909 CA TYR A 60 -5.660 1.609 5.353 1.00 1.00 C ATOM 910 C TYR A 60 -6.864 0.678 5.290 1.00 1.00 C ATOM 911 O TYR A 60 -7.107 0.046 4.264 1.00 1.00 O ATOM 912 CB TYR A 60 -5.930 2.831 4.474 1.00 1.00 C ATOM 913 CG TYR A 60 -4.899 3.911 4.711 1.00 1.00 C ATOM 914 CD1 TYR A 60 -3.694 3.911 3.992 1.00 1.00 C ATOM 915 CD2 TYR A 60 -5.163 4.933 5.631 1.00 1.00 C ATOM 916 CE1 TYR A 60 -2.758 4.932 4.199 1.00 1.00 C ATOM 917 CE2 TYR A 60 -4.227 5.953 5.833 1.00 1.00 C ATOM 918 CZ TYR A 60 -3.025 5.951 5.117 1.00 1.00 C ATOM 919 OH TYR A 60 -2.104 6.961 5.314 1.00 1.00 O ATOM 0 H TYR A 60 -4.560 0.592 3.892 1.00 1.00 H new ATOM 0 HA TYR A 60 -5.495 1.910 6.387 1.00 1.00 H new ATOM 0 HB2 TYR A 60 -5.919 2.537 3.424 1.00 1.00 H new ATOM 0 HB3 TYR A 60 -6.925 3.222 4.685 1.00 1.00 H new ATOM 0 HD1 TYR A 60 -3.489 3.125 3.280 1.00 1.00 H new ATOM 0 HD2 TYR A 60 -6.090 4.934 6.185 1.00 1.00 H new ATOM 0 HE1 TYR A 60 -1.829 4.932 3.648 1.00 1.00 H new ATOM 0 HE2 TYR A 60 -4.432 6.742 6.542 1.00 1.00 H new ATOM 0 HH TYR A 60 -2.445 7.589 5.984 1.00 1.00 H new ATOM 929 N THR A 61 -7.639 0.609 6.372 1.00 1.00 N ATOM 930 CA THR A 61 -8.831 -0.234 6.370 1.00 1.00 C ATOM 931 C THR A 61 -9.990 0.555 5.796 1.00 1.00 C ATOM 932 O THR A 61 -9.960 1.779 5.762 1.00 1.00 O ATOM 933 CB THR A 61 -9.200 -0.710 7.784 1.00 1.00 C ATOM 934 OG1 THR A 61 -9.791 0.358 8.508 1.00 1.00 O ATOM 935 CG2 THR A 61 -7.961 -1.215 8.536 1.00 1.00 C ATOM 0 H THR A 61 -7.468 1.114 7.241 1.00 1.00 H new ATOM 0 HA THR A 61 -8.620 -1.115 5.764 1.00 1.00 H new ATOM 0 HB THR A 61 -9.909 -1.533 7.694 1.00 1.00 H new ATOM 0 HG1 THR A 61 -10.027 0.052 9.408 1.00 1.00 H new ATOM 0 HG21 THR A 61 -8.250 -1.546 9.533 1.00 1.00 H new ATOM 0 HG22 THR A 61 -7.520 -2.049 7.991 1.00 1.00 H new ATOM 0 HG23 THR A 61 -7.232 -0.409 8.618 1.00 1.00 H new ATOM 943 N HIS A 62 -11.022 -0.141 5.374 1.00 1.00 N ATOM 944 CA HIS A 62 -12.190 0.526 4.834 1.00 1.00 C ATOM 945 C HIS A 62 -13.337 -0.450 4.683 1.00 1.00 C ATOM 946 O HIS A 62 -13.139 -1.664 4.670 1.00 1.00 O ATOM 947 CB HIS A 62 -11.872 1.187 3.488 1.00 1.00 C ATOM 948 CG HIS A 62 -11.826 0.158 2.391 1.00 1.00 C ATOM 949 ND1 HIS A 62 -12.908 -0.070 1.562 1.00 1.00 N ATOM 950 CD2 HIS A 62 -10.849 -0.711 1.981 1.00 1.00 C ATOM 951 CE1 HIS A 62 -12.565 -1.041 0.702 1.00 1.00 C ATOM 952 NE2 HIS A 62 -11.316 -1.470 0.912 1.00 1.00 N ATOM 0 H HIS A 62 -11.079 -1.159 5.393 1.00 1.00 H new ATOM 0 HA HIS A 62 -12.486 1.306 5.535 1.00 1.00 H new ATOM 0 HB2 HIS A 62 -12.628 1.938 3.258 1.00 1.00 H new ATOM 0 HB3 HIS A 62 -10.915 1.705 3.548 1.00 1.00 H new ATOM 0 HD1 HIS A 62 -13.806 0.413 1.598 1.00 1.00 H new ATOM 0 HD2 HIS A 62 -9.866 -0.794 2.421 1.00 1.00 H new ATOM 0 HE1 HIS A 62 -13.218 -1.429 -0.066 1.00 1.00 H new ATOM 960 N ARG A 63 -14.536 0.090 4.566 1.00 1.00 N ATOM 961 CA ARG A 63 -15.719 -0.737 4.416 1.00 1.00 C ATOM 962 C ARG A 63 -15.938 -1.093 2.951 1.00 1.00 C ATOM 963 O ARG A 63 -15.016 -1.048 2.140 1.00 1.00 O ATOM 964 CB ARG A 63 -16.953 -0.003 4.977 1.00 1.00 C ATOM 965 CG ARG A 63 -17.806 -0.992 5.763 1.00 1.00 C ATOM 966 CD ARG A 63 -19.096 -0.325 6.239 1.00 1.00 C ATOM 967 NE ARG A 63 -19.946 0.005 5.101 1.00 1.00 N ATOM 968 CZ ARG A 63 -21.095 0.647 5.272 1.00 1.00 C ATOM 969 NH1 ARG A 63 -21.481 0.984 6.472 1.00 1.00 N ATOM 970 NH2 ARG A 63 -21.841 0.937 4.241 1.00 1.00 N ATOM 0 H ARG A 63 -14.716 1.094 4.572 1.00 1.00 H new ATOM 0 HA ARG A 63 -15.572 -1.660 4.977 1.00 1.00 H new ATOM 0 HB2 ARG A 63 -16.641 0.819 5.621 1.00 1.00 H new ATOM 0 HB3 ARG A 63 -17.534 0.432 4.164 1.00 1.00 H new ATOM 0 HG2 ARG A 63 -18.044 -1.853 5.138 1.00 1.00 H new ATOM 0 HG3 ARG A 63 -17.245 -1.365 6.620 1.00 1.00 H new ATOM 0 HD2 ARG A 63 -19.628 -0.991 6.918 1.00 1.00 H new ATOM 0 HD3 ARG A 63 -18.860 0.580 6.800 1.00 1.00 H new ATOM 0 HE ARG A 63 -19.654 -0.261 4.161 1.00 1.00 H new ATOM 0 HH11 ARG A 63 -20.900 0.754 7.278 1.00 1.00 H new ATOM 0 HH12 ARG A 63 -22.364 1.477 6.604 1.00 1.00 H new ATOM 0 HH21 ARG A 63 -21.541 0.670 3.303 1.00 1.00 H new ATOM 0 HH22 ARG A 63 -22.724 1.430 4.373 1.00 1.00 H new ATOM 984 N ARG A 64 -17.170 -1.449 2.629 1.00 1.00 N ATOM 985 CA ARG A 64 -17.510 -1.814 1.268 1.00 1.00 C ATOM 986 C ARG A 64 -17.265 -0.638 0.330 1.00 1.00 C ATOM 987 O ARG A 64 -16.752 -0.817 -0.774 1.00 1.00 O ATOM 988 CB ARG A 64 -18.979 -2.229 1.202 1.00 1.00 C ATOM 989 CG ARG A 64 -19.169 -3.553 1.946 1.00 1.00 C ATOM 990 CD ARG A 64 -20.651 -3.931 1.931 1.00 1.00 C ATOM 991 NE ARG A 64 -21.417 -2.986 2.737 1.00 1.00 N ATOM 992 CZ ARG A 64 -22.743 -3.029 2.773 1.00 1.00 C ATOM 993 NH1 ARG A 64 -23.384 -3.929 2.078 1.00 1.00 N ATOM 994 NH2 ARG A 64 -23.404 -2.173 3.501 1.00 1.00 N ATOM 0 H ARG A 64 -17.947 -1.492 3.289 1.00 1.00 H new ATOM 0 HA ARG A 64 -16.882 -2.649 0.957 1.00 1.00 H new ATOM 0 HB2 ARG A 64 -19.607 -1.456 1.646 1.00 1.00 H new ATOM 0 HB3 ARG A 64 -19.292 -2.335 0.163 1.00 1.00 H new ATOM 0 HG2 ARG A 64 -18.577 -4.337 1.474 1.00 1.00 H new ATOM 0 HG3 ARG A 64 -18.815 -3.461 2.973 1.00 1.00 H new ATOM 0 HD2 ARG A 64 -21.024 -3.933 0.907 1.00 1.00 H new ATOM 0 HD3 ARG A 64 -20.781 -4.941 2.319 1.00 1.00 H new ATOM 0 HE ARG A 64 -20.924 -2.279 3.283 1.00 1.00 H new ATOM 0 HH11 ARG A 64 -22.866 -4.598 1.508 1.00 1.00 H new ATOM 0 HH12 ARG A 64 -24.403 -3.963 2.105 1.00 1.00 H new ATOM 0 HH21 ARG A 64 -22.902 -1.470 4.043 1.00 1.00 H new ATOM 0 HH22 ARG A 64 -24.423 -2.206 3.528 1.00 1.00 H new ATOM 1008 N MET A 65 -17.639 0.566 0.767 1.00 1.00 N ATOM 1009 CA MET A 65 -17.455 1.761 -0.056 1.00 1.00 C ATOM 1010 C MET A 65 -17.194 2.983 0.826 1.00 1.00 C ATOM 1011 O MET A 65 -17.446 4.117 0.420 1.00 1.00 O ATOM 1012 CB MET A 65 -18.715 1.999 -0.896 1.00 1.00 C ATOM 1013 CG MET A 65 -19.953 1.657 -0.062 1.00 1.00 C ATOM 1014 SD MET A 65 -21.443 2.078 -0.998 1.00 1.00 S ATOM 1015 CE MET A 65 -22.640 1.726 0.313 1.00 1.00 C ATOM 0 H MET A 65 -18.067 0.738 1.677 1.00 1.00 H new ATOM 0 HA MET A 65 -16.596 1.609 -0.710 1.00 1.00 H new ATOM 0 HB2 MET A 65 -18.758 3.038 -1.221 1.00 1.00 H new ATOM 0 HB3 MET A 65 -18.687 1.384 -1.796 1.00 1.00 H new ATOM 0 HG2 MET A 65 -19.955 0.596 0.188 1.00 1.00 H new ATOM 0 HG3 MET A 65 -19.934 2.206 0.879 1.00 1.00 H new ATOM 0 HE1 MET A 65 -23.648 1.921 -0.053 1.00 1.00 H new ATOM 0 HE2 MET A 65 -22.558 0.680 0.610 1.00 1.00 H new ATOM 0 HE3 MET A 65 -22.436 2.364 1.173 1.00 1.00 H new ATOM 1025 N ALA A 66 -16.692 2.746 2.033 1.00 1.00 N ATOM 1026 CA ALA A 66 -16.408 3.842 2.961 1.00 1.00 C ATOM 1027 C ALA A 66 -14.987 4.369 2.765 1.00 1.00 C ATOM 1028 O ALA A 66 -14.392 4.954 3.669 1.00 1.00 O ATOM 1029 CB ALA A 66 -16.608 3.370 4.400 1.00 1.00 C ATOM 0 H ALA A 66 -16.474 1.816 2.392 1.00 1.00 H new ATOM 0 HA ALA A 66 -17.101 4.658 2.755 1.00 1.00 H new ATOM 0 HB1 ALA A 66 -16.395 4.191 5.085 1.00 1.00 H new ATOM 0 HB2 ALA A 66 -17.639 3.042 4.536 1.00 1.00 H new ATOM 0 HB3 ALA A 66 -15.933 2.540 4.608 1.00 1.00 H new ATOM 1035 N ILE A 67 -14.466 4.157 1.566 1.00 1.00 N ATOM 1036 CA ILE A 67 -13.122 4.603 1.209 1.00 1.00 C ATOM 1037 C ILE A 67 -13.038 6.135 1.130 1.00 1.00 C ATOM 1038 O ILE A 67 -11.979 6.729 1.337 1.00 1.00 O ATOM 1039 CB ILE A 67 -12.778 4.005 -0.161 1.00 1.00 C ATOM 1040 CG1 ILE A 67 -13.865 4.396 -1.173 1.00 1.00 C ATOM 1041 CG2 ILE A 67 -12.720 2.481 -0.052 1.00 1.00 C ATOM 1042 CD1 ILE A 67 -13.490 3.882 -2.564 1.00 1.00 C ATOM 0 H ILE A 67 -14.958 3.674 0.814 1.00 1.00 H new ATOM 0 HA ILE A 67 -12.420 4.273 1.975 1.00 1.00 H new ATOM 0 HB ILE A 67 -11.812 4.386 -0.491 1.00 1.00 H new ATOM 0 HG12 ILE A 67 -14.825 3.979 -0.868 1.00 1.00 H new ATOM 0 HG13 ILE A 67 -13.981 5.480 -1.195 1.00 1.00 H new ATOM 0 HG21 ILE A 67 -12.476 2.056 -1.025 1.00 1.00 H new ATOM 0 HG22 ILE A 67 -11.955 2.197 0.671 1.00 1.00 H new ATOM 0 HG23 ILE A 67 -13.688 2.103 0.277 1.00 1.00 H new ATOM 0 HD11 ILE A 67 -14.265 4.163 -3.277 1.00 1.00 H new ATOM 0 HD12 ILE A 67 -12.540 4.320 -2.870 1.00 1.00 H new ATOM 0 HD13 ILE A 67 -13.397 2.796 -2.538 1.00 1.00 H new ATOM 1054 N THR A 68 -14.159 6.737 0.772 1.00 1.00 N ATOM 1055 CA THR A 68 -14.253 8.189 0.580 1.00 1.00 C ATOM 1056 C THR A 68 -13.410 8.997 1.578 1.00 1.00 C ATOM 1057 O THR A 68 -12.998 10.114 1.264 1.00 1.00 O ATOM 1058 CB THR A 68 -15.718 8.639 0.657 1.00 1.00 C ATOM 1059 OG1 THR A 68 -15.773 10.004 1.042 1.00 1.00 O ATOM 1060 CG2 THR A 68 -16.459 7.791 1.686 1.00 1.00 C ATOM 0 H THR A 68 -15.034 6.240 0.604 1.00 1.00 H new ATOM 0 HA THR A 68 -13.845 8.392 -0.410 1.00 1.00 H new ATOM 0 HB THR A 68 -16.187 8.516 -0.319 1.00 1.00 H new ATOM 0 HG1 THR A 68 -16.708 10.293 1.090 1.00 1.00 H new ATOM 0 HG21 THR A 68 -17.499 8.111 1.740 1.00 1.00 H new ATOM 0 HG22 THR A 68 -16.417 6.742 1.391 1.00 1.00 H new ATOM 0 HG23 THR A 68 -15.991 7.913 2.663 1.00 1.00 H new ATOM 1068 N GLY A 69 -13.183 8.471 2.782 1.00 1.00 N ATOM 1069 CA GLY A 69 -12.418 9.198 3.804 1.00 1.00 C ATOM 1070 C GLY A 69 -13.232 9.233 5.095 1.00 1.00 C ATOM 1071 O GLY A 69 -12.732 9.596 6.156 1.00 1.00 O ATOM 0 H GLY A 69 -13.514 7.552 3.075 1.00 1.00 H new ATOM 0 HA2 GLY A 69 -11.459 8.710 3.976 1.00 1.00 H new ATOM 0 HA3 GLY A 69 -12.204 10.212 3.465 1.00 1.00 H new ATOM 1075 N ASP A 70 -14.507 8.881 4.966 1.00 1.00 N ATOM 1076 CA ASP A 70 -15.437 8.897 6.096 1.00 1.00 C ATOM 1077 C ASP A 70 -15.032 7.942 7.224 1.00 1.00 C ATOM 1078 O ASP A 70 -14.957 8.349 8.387 1.00 1.00 O ATOM 1079 CB ASP A 70 -16.835 8.518 5.587 1.00 1.00 C ATOM 1080 CG ASP A 70 -16.795 7.133 4.953 1.00 1.00 C ATOM 1081 OD1 ASP A 70 -15.707 6.669 4.664 1.00 1.00 O ATOM 1082 OD2 ASP A 70 -17.855 6.556 4.768 1.00 1.00 O ATOM 0 H ASP A 70 -14.924 8.579 4.086 1.00 1.00 H new ATOM 0 HA ASP A 70 -15.425 9.903 6.516 1.00 1.00 H new ATOM 0 HB2 ASP A 70 -17.548 8.530 6.411 1.00 1.00 H new ATOM 0 HB3 ASP A 70 -17.178 9.252 4.858 1.00 1.00 H new ATOM 1087 N ASP A 71 -14.820 6.663 6.904 1.00 1.00 N ATOM 1088 CA ASP A 71 -14.482 5.669 7.946 1.00 1.00 C ATOM 1089 C ASP A 71 -13.208 4.869 7.613 1.00 1.00 C ATOM 1090 O ASP A 71 -13.132 3.677 7.909 1.00 1.00 O ATOM 1091 CB ASP A 71 -15.665 4.686 8.108 1.00 1.00 C ATOM 1092 CG ASP A 71 -16.765 5.277 8.952 1.00 1.00 C ATOM 1093 OD1 ASP A 71 -16.623 5.229 10.144 1.00 1.00 O ATOM 1094 OD2 ASP A 71 -17.734 5.777 8.400 1.00 1.00 O ATOM 0 H ASP A 71 -14.873 6.289 5.956 1.00 1.00 H new ATOM 0 HA ASP A 71 -14.293 6.216 8.870 1.00 1.00 H new ATOM 0 HB2 ASP A 71 -16.059 4.425 7.126 1.00 1.00 H new ATOM 0 HB3 ASP A 71 -15.311 3.762 8.565 1.00 1.00 H new ATOM 1099 N VAL A 72 -12.210 5.519 7.006 1.00 1.00 N ATOM 1100 CA VAL A 72 -10.951 4.835 6.660 1.00 1.00 C ATOM 1101 C VAL A 72 -9.729 5.617 7.136 1.00 1.00 C ATOM 1102 O VAL A 72 -9.513 6.766 6.752 1.00 1.00 O ATOM 1103 CB VAL A 72 -10.880 4.608 5.138 1.00 1.00 C ATOM 1104 CG1 VAL A 72 -11.326 5.877 4.411 1.00 1.00 C ATOM 1105 CG2 VAL A 72 -9.441 4.232 4.703 1.00 1.00 C ATOM 0 H VAL A 72 -12.243 6.505 6.745 1.00 1.00 H new ATOM 0 HA VAL A 72 -10.942 3.873 7.172 1.00 1.00 H new ATOM 0 HB VAL A 72 -11.543 3.783 4.878 1.00 1.00 H new ATOM 0 HG11 VAL A 72 -11.276 5.716 3.334 1.00 1.00 H new ATOM 0 HG12 VAL A 72 -12.351 6.118 4.694 1.00 1.00 H new ATOM 0 HG13 VAL A 72 -10.670 6.703 4.685 1.00 1.00 H new ATOM 0 HG21 VAL A 72 -9.416 4.077 3.624 1.00 1.00 H new ATOM 0 HG22 VAL A 72 -8.758 5.039 4.969 1.00 1.00 H new ATOM 0 HG23 VAL A 72 -9.136 3.316 5.209 1.00 1.00 H new ATOM 1115 N SER A 73 -8.938 4.969 7.985 1.00 1.00 N ATOM 1116 CA SER A 73 -7.738 5.578 8.534 1.00 1.00 C ATOM 1117 C SER A 73 -6.654 4.514 8.690 1.00 1.00 C ATOM 1118 O SER A 73 -6.911 3.320 8.537 1.00 1.00 O ATOM 1119 CB SER A 73 -8.064 6.216 9.886 1.00 1.00 C ATOM 1120 OG SER A 73 -9.049 7.228 9.695 1.00 1.00 O ATOM 0 H SER A 73 -9.110 4.017 8.307 1.00 1.00 H new ATOM 0 HA SER A 73 -7.373 6.353 7.860 1.00 1.00 H new ATOM 0 HB2 SER A 73 -8.430 5.460 10.581 1.00 1.00 H new ATOM 0 HB3 SER A 73 -7.164 6.645 10.327 1.00 1.00 H new ATOM 0 HG SER A 73 -9.265 7.641 10.557 1.00 1.00 H new ATOM 1126 N LEU A 74 -5.428 4.964 8.911 1.00 1.00 N ATOM 1127 CA LEU A 74 -4.283 4.060 8.988 1.00 1.00 C ATOM 1128 C LEU A 74 -4.595 2.778 9.762 1.00 1.00 C ATOM 1129 O LEU A 74 -5.316 2.781 10.759 1.00 1.00 O ATOM 1130 CB LEU A 74 -3.099 4.799 9.666 1.00 1.00 C ATOM 1131 CG LEU A 74 -1.984 5.072 8.646 1.00 1.00 C ATOM 1132 CD1 LEU A 74 -0.881 5.907 9.318 1.00 1.00 C ATOM 1133 CD2 LEU A 74 -1.408 3.726 8.126 1.00 1.00 C ATOM 0 H LEU A 74 -5.197 5.949 9.041 1.00 1.00 H new ATOM 0 HA LEU A 74 -4.026 3.766 7.970 1.00 1.00 H new ATOM 0 HB2 LEU A 74 -3.446 5.739 10.095 1.00 1.00 H new ATOM 0 HB3 LEU A 74 -2.710 4.198 10.488 1.00 1.00 H new ATOM 0 HG LEU A 74 -2.385 5.627 7.798 1.00 1.00 H new ATOM 0 HD11 LEU A 74 -0.086 6.105 8.599 1.00 1.00 H new ATOM 0 HD12 LEU A 74 -1.300 6.852 9.665 1.00 1.00 H new ATOM 0 HD13 LEU A 74 -0.475 5.357 10.167 1.00 1.00 H new ATOM 0 HD21 LEU A 74 -0.617 3.924 7.402 1.00 1.00 H new ATOM 0 HD22 LEU A 74 -1.001 3.157 8.962 1.00 1.00 H new ATOM 0 HD23 LEU A 74 -2.201 3.151 7.648 1.00 1.00 H new ATOM 1145 N ASP A 75 -4.021 1.675 9.261 1.00 1.00 N ATOM 1146 CA ASP A 75 -4.192 0.349 9.857 1.00 1.00 C ATOM 1147 C ASP A 75 -2.863 -0.140 10.434 1.00 1.00 C ATOM 1148 O ASP A 75 -2.717 -0.274 11.648 1.00 1.00 O ATOM 1149 CB ASP A 75 -4.666 -0.633 8.785 1.00 1.00 C ATOM 1150 CG ASP A 75 -5.228 -1.893 9.439 1.00 1.00 C ATOM 1151 OD1 ASP A 75 -5.822 -1.774 10.498 1.00 1.00 O ATOM 1152 OD2 ASP A 75 -5.062 -2.957 8.866 1.00 1.00 O ATOM 0 H ASP A 75 -3.426 1.680 8.432 1.00 1.00 H new ATOM 0 HA ASP A 75 -4.931 0.410 10.656 1.00 1.00 H new ATOM 0 HB2 ASP A 75 -5.430 -0.165 8.164 1.00 1.00 H new ATOM 0 HB3 ASP A 75 -3.837 -0.894 8.128 1.00 1.00 H new ATOM 1157 N GLN A 76 -1.889 -0.397 9.555 1.00 1.00 N ATOM 1158 CA GLN A 76 -0.571 -0.856 9.992 1.00 1.00 C ATOM 1159 C GLN A 76 0.496 -0.503 8.959 1.00 1.00 C ATOM 1160 O GLN A 76 0.398 -0.881 7.793 1.00 1.00 O ATOM 1161 CB GLN A 76 -0.561 -2.374 10.202 1.00 1.00 C ATOM 1162 CG GLN A 76 0.704 -2.767 10.983 1.00 1.00 C ATOM 1163 CD GLN A 76 1.002 -4.249 10.799 1.00 1.00 C ATOM 1164 OE1 GLN A 76 0.184 -5.098 11.152 1.00 1.00 O ATOM 1165 NE2 GLN A 76 2.132 -4.608 10.254 1.00 1.00 N ATOM 0 H GLN A 76 -1.989 -0.295 8.545 1.00 1.00 H new ATOM 0 HA GLN A 76 -0.351 -0.355 10.935 1.00 1.00 H new ATOM 0 HB2 GLN A 76 -1.452 -2.684 10.749 1.00 1.00 H new ATOM 0 HB3 GLN A 76 -0.583 -2.887 9.240 1.00 1.00 H new ATOM 0 HG2 GLN A 76 1.551 -2.174 10.638 1.00 1.00 H new ATOM 0 HG3 GLN A 76 0.569 -2.545 12.042 1.00 1.00 H new ATOM 0 HE21 GLN A 76 2.806 -3.900 9.963 1.00 1.00 H new ATOM 0 HE22 GLN A 76 2.341 -5.597 10.118 1.00 1.00 H new ATOM 1174 N ILE A 77 1.506 0.236 9.400 1.00 1.00 N ATOM 1175 CA ILE A 77 2.593 0.653 8.519 1.00 1.00 C ATOM 1176 C ILE A 77 3.654 -0.438 8.422 1.00 1.00 C ATOM 1177 O ILE A 77 4.095 -0.973 9.437 1.00 1.00 O ATOM 1178 CB ILE A 77 3.236 1.933 9.065 1.00 1.00 C ATOM 1179 CG1 ILE A 77 2.176 3.030 9.142 1.00 1.00 C ATOM 1180 CG2 ILE A 77 4.371 2.382 8.135 1.00 1.00 C ATOM 1181 CD1 ILE A 77 2.728 4.228 9.921 1.00 1.00 C ATOM 0 H ILE A 77 1.596 0.560 10.363 1.00 1.00 H new ATOM 0 HA ILE A 77 2.182 0.837 7.526 1.00 1.00 H new ATOM 0 HB ILE A 77 3.643 1.742 10.058 1.00 1.00 H new ATOM 0 HG12 ILE A 77 1.886 3.339 8.138 1.00 1.00 H new ATOM 0 HG13 ILE A 77 1.279 2.649 9.630 1.00 1.00 H new ATOM 0 HG21 ILE A 77 4.825 3.292 8.528 1.00 1.00 H new ATOM 0 HG22 ILE A 77 5.125 1.597 8.076 1.00 1.00 H new ATOM 0 HG23 ILE A 77 3.971 2.576 7.140 1.00 1.00 H new ATOM 0 HD11 ILE A 77 1.969 5.009 9.974 1.00 1.00 H new ATOM 0 HD12 ILE A 77 2.996 3.914 10.930 1.00 1.00 H new ATOM 0 HD13 ILE A 77 3.612 4.615 9.414 1.00 1.00 H new ATOM 1193 N VAL A 78 4.066 -0.762 7.194 1.00 1.00 N ATOM 1194 CA VAL A 78 5.092 -1.792 6.973 1.00 1.00 C ATOM 1195 C VAL A 78 6.280 -1.185 6.208 1.00 1.00 C ATOM 1196 O VAL A 78 6.102 -0.710 5.086 1.00 1.00 O ATOM 1197 CB VAL A 78 4.494 -2.961 6.172 1.00 1.00 C ATOM 1198 CG1 VAL A 78 5.609 -3.908 5.702 1.00 1.00 C ATOM 1199 CG2 VAL A 78 3.519 -3.732 7.070 1.00 1.00 C ATOM 0 H VAL A 78 3.710 -0.331 6.341 1.00 1.00 H new ATOM 0 HA VAL A 78 5.441 -2.164 7.936 1.00 1.00 H new ATOM 0 HB VAL A 78 3.972 -2.569 5.299 1.00 1.00 H new ATOM 0 HG11 VAL A 78 5.173 -4.731 5.136 1.00 1.00 H new ATOM 0 HG12 VAL A 78 6.307 -3.362 5.068 1.00 1.00 H new ATOM 0 HG13 VAL A 78 6.139 -4.304 6.568 1.00 1.00 H new ATOM 0 HG21 VAL A 78 3.089 -4.563 6.511 1.00 1.00 H new ATOM 0 HG22 VAL A 78 4.052 -4.116 7.940 1.00 1.00 H new ATOM 0 HG23 VAL A 78 2.722 -3.065 7.398 1.00 1.00 H new ATOM 1209 N PRO A 79 7.479 -1.168 6.768 1.00 1.00 N ATOM 1210 CA PRO A 79 8.657 -0.584 6.070 1.00 1.00 C ATOM 1211 C PRO A 79 9.213 -1.523 5.009 1.00 1.00 C ATOM 1212 O PRO A 79 9.645 -2.632 5.319 1.00 1.00 O ATOM 1213 CB PRO A 79 9.680 -0.372 7.196 1.00 1.00 C ATOM 1214 CG PRO A 79 9.362 -1.432 8.204 1.00 1.00 C ATOM 1215 CD PRO A 79 7.851 -1.694 8.103 1.00 1.00 C ATOM 0 HA PRO A 79 8.404 0.333 5.538 1.00 1.00 H new ATOM 0 HB2 PRO A 79 10.701 -0.470 6.827 1.00 1.00 H new ATOM 0 HB3 PRO A 79 9.592 0.625 7.628 1.00 1.00 H new ATOM 0 HG2 PRO A 79 9.927 -2.342 8.001 1.00 1.00 H new ATOM 0 HG3 PRO A 79 9.632 -1.106 9.208 1.00 1.00 H new ATOM 0 HD2 PRO A 79 7.624 -2.757 8.190 1.00 1.00 H new ATOM 0 HD3 PRO A 79 7.305 -1.186 8.898 1.00 1.00 H new ATOM 1223 N LEU A 80 9.202 -1.073 3.757 1.00 1.00 N ATOM 1224 CA LEU A 80 9.713 -1.876 2.653 1.00 1.00 C ATOM 1225 C LEU A 80 10.966 -2.645 3.065 1.00 1.00 C ATOM 1226 O LEU A 80 10.946 -3.868 3.207 1.00 1.00 O ATOM 1227 CB LEU A 80 10.078 -0.944 1.493 1.00 1.00 C ATOM 1228 CG LEU A 80 8.838 -0.185 0.998 1.00 1.00 C ATOM 1229 CD1 LEU A 80 9.287 0.986 0.116 1.00 1.00 C ATOM 1230 CD2 LEU A 80 7.928 -1.113 0.177 1.00 1.00 C ATOM 0 H LEU A 80 8.845 -0.158 3.483 1.00 1.00 H new ATOM 0 HA LEU A 80 8.943 -2.589 2.359 1.00 1.00 H new ATOM 0 HB2 LEU A 80 10.840 -0.235 1.815 1.00 1.00 H new ATOM 0 HB3 LEU A 80 10.507 -1.523 0.675 1.00 1.00 H new ATOM 0 HG LEU A 80 8.281 0.181 1.860 1.00 1.00 H new ATOM 0 HD11 LEU A 80 8.412 1.530 -0.240 1.00 1.00 H new ATOM 0 HD12 LEU A 80 9.920 1.657 0.697 1.00 1.00 H new ATOM 0 HD13 LEU A 80 9.848 0.605 -0.737 1.00 1.00 H new ATOM 0 HD21 LEU A 80 7.055 -0.557 -0.165 1.00 1.00 H new ATOM 0 HD22 LEU A 80 8.477 -1.492 -0.685 1.00 1.00 H new ATOM 0 HD23 LEU A 80 7.606 -1.949 0.798 1.00 1.00 H new ATOM 1242 N SER A 81 12.056 -1.911 3.250 1.00 1.00 N ATOM 1243 CA SER A 81 13.320 -2.517 3.630 1.00 1.00 C ATOM 1244 C SER A 81 13.877 -3.325 2.468 1.00 1.00 C ATOM 1245 O SER A 81 13.131 -3.808 1.623 1.00 1.00 O ATOM 1246 CB SER A 81 13.129 -3.416 4.855 1.00 1.00 C ATOM 1247 OG SER A 81 12.868 -4.746 4.427 1.00 1.00 O ATOM 0 H SER A 81 12.088 -0.897 3.143 1.00 1.00 H new ATOM 0 HA SER A 81 14.028 -1.728 3.884 1.00 1.00 H new ATOM 0 HB2 SER A 81 14.021 -3.392 5.481 1.00 1.00 H new ATOM 0 HB3 SER A 81 12.303 -3.049 5.464 1.00 1.00 H new ATOM 0 HG SER A 81 11.949 -4.808 4.093 1.00 1.00 H new ATOM 1253 N LYS A 82 15.190 -3.461 2.419 1.00 1.00 N ATOM 1254 CA LYS A 82 15.823 -4.202 1.339 1.00 1.00 C ATOM 1255 C LYS A 82 15.161 -5.560 1.151 1.00 1.00 C ATOM 1256 O LYS A 82 15.051 -6.054 0.029 1.00 1.00 O ATOM 1257 CB LYS A 82 17.306 -4.379 1.653 1.00 1.00 C ATOM 1258 CG LYS A 82 17.477 -5.298 2.862 1.00 1.00 C ATOM 1259 CD LYS A 82 18.950 -5.341 3.257 1.00 1.00 C ATOM 1260 CE LYS A 82 19.123 -6.253 4.466 1.00 1.00 C ATOM 1261 NZ LYS A 82 20.556 -6.271 4.870 1.00 1.00 N ATOM 0 H LYS A 82 15.835 -3.073 3.107 1.00 1.00 H new ATOM 0 HA LYS A 82 15.709 -3.641 0.411 1.00 1.00 H new ATOM 0 HB2 LYS A 82 17.821 -4.800 0.790 1.00 1.00 H new ATOM 0 HB3 LYS A 82 17.762 -3.410 1.855 1.00 1.00 H new ATOM 0 HG2 LYS A 82 16.875 -4.937 3.696 1.00 1.00 H new ATOM 0 HG3 LYS A 82 17.123 -6.301 2.624 1.00 1.00 H new ATOM 0 HD2 LYS A 82 19.551 -5.705 2.424 1.00 1.00 H new ATOM 0 HD3 LYS A 82 19.305 -4.337 3.491 1.00 1.00 H new ATOM 0 HE2 LYS A 82 18.505 -5.901 5.292 1.00 1.00 H new ATOM 0 HE3 LYS A 82 18.789 -7.262 4.225 1.00 1.00 H new ATOM 0 HZ1 LYS A 82 20.676 -6.893 5.695 1.00 1.00 H new ATOM 0 HZ2 LYS A 82 21.134 -6.626 4.082 1.00 1.00 H new ATOM 0 HZ3 LYS A 82 20.860 -5.307 5.116 1.00 1.00 H new ATOM 1275 N ASP A 83 14.725 -6.169 2.249 1.00 1.00 N ATOM 1276 CA ASP A 83 14.085 -7.479 2.171 1.00 1.00 C ATOM 1277 C ASP A 83 12.799 -7.413 1.346 1.00 1.00 C ATOM 1278 O ASP A 83 12.181 -8.438 1.062 1.00 1.00 O ATOM 1279 CB ASP A 83 13.771 -7.993 3.577 1.00 1.00 C ATOM 1280 CG ASP A 83 15.062 -8.384 4.290 1.00 1.00 C ATOM 1281 OD1 ASP A 83 16.062 -8.554 3.614 1.00 1.00 O ATOM 1282 OD2 ASP A 83 15.033 -8.502 5.504 1.00 1.00 O ATOM 0 H ASP A 83 14.801 -5.784 3.191 1.00 1.00 H new ATOM 0 HA ASP A 83 14.775 -8.165 1.679 1.00 1.00 H new ATOM 0 HB2 ASP A 83 13.250 -7.223 4.147 1.00 1.00 H new ATOM 0 HB3 ASP A 83 13.104 -8.853 3.518 1.00 1.00 H new ATOM 1287 N PHE A 84 12.412 -6.204 0.954 1.00 1.00 N ATOM 1288 CA PHE A 84 11.208 -6.019 0.150 1.00 1.00 C ATOM 1289 C PHE A 84 11.376 -6.714 -1.191 1.00 1.00 C ATOM 1290 O PHE A 84 12.418 -6.596 -1.837 1.00 1.00 O ATOM 1291 CB PHE A 84 10.960 -4.524 -0.071 1.00 1.00 C ATOM 1292 CG PHE A 84 9.619 -4.282 -0.725 1.00 1.00 C ATOM 1293 CD1 PHE A 84 8.453 -4.297 0.052 1.00 1.00 C ATOM 1294 CD2 PHE A 84 9.542 -3.996 -2.093 1.00 1.00 C ATOM 1295 CE1 PHE A 84 7.213 -4.028 -0.535 1.00 1.00 C ATOM 1296 CE2 PHE A 84 8.299 -3.735 -2.684 1.00 1.00 C ATOM 1297 CZ PHE A 84 7.135 -3.749 -1.905 1.00 1.00 C ATOM 0 H PHE A 84 12.910 -5.342 1.178 1.00 1.00 H new ATOM 0 HA PHE A 84 10.356 -6.451 0.674 1.00 1.00 H new ATOM 0 HB2 PHE A 84 11.001 -4.001 0.884 1.00 1.00 H new ATOM 0 HB3 PHE A 84 11.752 -4.110 -0.695 1.00 1.00 H new ATOM 0 HD1 PHE A 84 8.512 -4.517 1.108 1.00 1.00 H new ATOM 0 HD2 PHE A 84 10.440 -3.977 -2.692 1.00 1.00 H new ATOM 0 HE1 PHE A 84 6.317 -4.035 0.067 1.00 1.00 H new ATOM 0 HE2 PHE A 84 8.238 -3.523 -3.741 1.00 1.00 H new ATOM 0 HZ PHE A 84 6.178 -3.545 -2.361 1.00 1.00 H new ATOM 1307 N MET A 85 10.346 -7.432 -1.610 1.00 1.00 N ATOM 1308 CA MET A 85 10.386 -8.136 -2.891 1.00 1.00 C ATOM 1309 C MET A 85 8.973 -8.413 -3.383 1.00 1.00 C ATOM 1310 O MET A 85 8.156 -8.990 -2.666 1.00 1.00 O ATOM 1311 CB MET A 85 11.149 -9.460 -2.759 1.00 1.00 C ATOM 1312 CG MET A 85 11.257 -10.124 -4.138 1.00 1.00 C ATOM 1313 SD MET A 85 12.259 -11.629 -4.015 1.00 1.00 S ATOM 1314 CE MET A 85 12.179 -12.110 -5.761 1.00 1.00 C ATOM 0 H MET A 85 9.476 -7.545 -1.089 1.00 1.00 H new ATOM 0 HA MET A 85 10.903 -7.501 -3.611 1.00 1.00 H new ATOM 0 HB2 MET A 85 12.143 -9.280 -2.350 1.00 1.00 H new ATOM 0 HB3 MET A 85 10.633 -10.122 -2.063 1.00 1.00 H new ATOM 0 HG2 MET A 85 10.263 -10.367 -4.514 1.00 1.00 H new ATOM 0 HG3 MET A 85 11.707 -9.433 -4.851 1.00 1.00 H new ATOM 0 HE1 MET A 85 12.742 -13.031 -5.911 1.00 1.00 H new ATOM 0 HE2 MET A 85 11.139 -12.269 -6.047 1.00 1.00 H new ATOM 0 HE3 MET A 85 12.608 -11.319 -6.376 1.00 1.00 H new ATOM 1324 N LEU A 86 8.691 -7.996 -4.614 1.00 1.00 N ATOM 1325 CA LEU A 86 7.371 -8.205 -5.206 1.00 1.00 C ATOM 1326 C LEU A 86 7.396 -9.457 -6.073 1.00 1.00 C ATOM 1327 O LEU A 86 8.187 -9.550 -7.012 1.00 1.00 O ATOM 1328 CB LEU A 86 6.990 -6.984 -6.067 1.00 1.00 C ATOM 1329 CG LEU A 86 8.256 -6.377 -6.722 1.00 1.00 C ATOM 1330 CD1 LEU A 86 7.890 -5.742 -8.069 1.00 1.00 C ATOM 1331 CD2 LEU A 86 8.865 -5.297 -5.809 1.00 1.00 C ATOM 0 H LEU A 86 9.355 -7.513 -5.220 1.00 1.00 H new ATOM 0 HA LEU A 86 6.633 -8.329 -4.413 1.00 1.00 H new ATOM 0 HB2 LEU A 86 6.279 -7.281 -6.838 1.00 1.00 H new ATOM 0 HB3 LEU A 86 6.496 -6.234 -5.449 1.00 1.00 H new ATOM 0 HG LEU A 86 8.984 -7.174 -6.873 1.00 1.00 H new ATOM 0 HD11 LEU A 86 8.784 -5.317 -8.525 1.00 1.00 H new ATOM 0 HD12 LEU A 86 7.473 -6.503 -8.729 1.00 1.00 H new ATOM 0 HD13 LEU A 86 7.153 -4.954 -7.912 1.00 1.00 H new ATOM 0 HD21 LEU A 86 9.754 -4.879 -6.282 1.00 1.00 H new ATOM 0 HD22 LEU A 86 8.135 -4.505 -5.646 1.00 1.00 H new ATOM 0 HD23 LEU A 86 9.138 -5.741 -4.852 1.00 1.00 H new ATOM 1343 N GLU A 87 6.533 -10.425 -5.758 1.00 1.00 N ATOM 1344 CA GLU A 87 6.475 -11.675 -6.519 1.00 1.00 C ATOM 1345 C GLU A 87 5.135 -11.824 -7.229 1.00 1.00 C ATOM 1346 O GLU A 87 4.084 -11.890 -6.593 1.00 1.00 O ATOM 1347 CB GLU A 87 6.676 -12.861 -5.577 1.00 1.00 C ATOM 1348 CG GLU A 87 8.106 -12.850 -5.040 1.00 1.00 C ATOM 1349 CD GLU A 87 8.296 -13.990 -4.047 1.00 1.00 C ATOM 1350 OE1 GLU A 87 7.358 -14.748 -3.859 1.00 1.00 O ATOM 1351 OE2 GLU A 87 9.376 -14.090 -3.488 1.00 1.00 O ATOM 0 H GLU A 87 5.869 -10.369 -4.986 1.00 1.00 H new ATOM 0 HA GLU A 87 7.267 -11.652 -7.268 1.00 1.00 H new ATOM 0 HB2 GLU A 87 5.966 -12.808 -4.752 1.00 1.00 H new ATOM 0 HB3 GLU A 87 6.482 -13.795 -6.105 1.00 1.00 H new ATOM 0 HG2 GLU A 87 8.814 -12.951 -5.863 1.00 1.00 H new ATOM 0 HG3 GLU A 87 8.315 -11.896 -4.556 1.00 1.00 H new ATOM 1358 N GLU A 88 5.186 -11.895 -8.552 1.00 1.00 N ATOM 1359 CA GLU A 88 3.975 -12.065 -9.341 1.00 1.00 C ATOM 1360 C GLU A 88 3.405 -13.456 -9.093 1.00 1.00 C ATOM 1361 O GLU A 88 4.153 -14.387 -8.789 1.00 1.00 O ATOM 1362 CB GLU A 88 4.286 -11.879 -10.829 1.00 1.00 C ATOM 1363 CG GLU A 88 5.354 -12.886 -11.261 1.00 1.00 C ATOM 1364 CD GLU A 88 5.682 -12.696 -12.737 1.00 1.00 C ATOM 1365 OE1 GLU A 88 4.781 -12.349 -13.484 1.00 1.00 O ATOM 1366 OE2 GLU A 88 6.829 -12.902 -13.099 1.00 1.00 O ATOM 0 H GLU A 88 6.046 -11.838 -9.098 1.00 1.00 H new ATOM 0 HA GLU A 88 3.241 -11.316 -9.045 1.00 1.00 H new ATOM 0 HB2 GLU A 88 3.381 -12.018 -11.420 1.00 1.00 H new ATOM 0 HB3 GLU A 88 4.634 -10.863 -11.014 1.00 1.00 H new ATOM 0 HG2 GLU A 88 6.254 -12.755 -10.660 1.00 1.00 H new ATOM 0 HG3 GLU A 88 5.000 -13.902 -11.086 1.00 1.00 H new ATOM 1373 N VAL A 89 2.088 -13.607 -9.229 1.00 1.00 N ATOM 1374 CA VAL A 89 1.453 -14.913 -9.016 1.00 1.00 C ATOM 1375 C VAL A 89 1.087 -15.539 -10.355 1.00 1.00 C ATOM 1376 O VAL A 89 0.497 -14.889 -11.216 1.00 1.00 O ATOM 1377 CB VAL A 89 0.190 -14.766 -8.175 1.00 1.00 C ATOM 1378 CG1 VAL A 89 -0.260 -16.142 -7.679 1.00 1.00 C ATOM 1379 CG2 VAL A 89 0.468 -13.851 -6.979 1.00 1.00 C ATOM 0 H VAL A 89 1.446 -12.856 -9.482 1.00 1.00 H new ATOM 0 HA VAL A 89 2.161 -15.553 -8.490 1.00 1.00 H new ATOM 0 HB VAL A 89 -0.599 -14.327 -8.785 1.00 1.00 H new ATOM 0 HG11 VAL A 89 -1.163 -16.035 -7.078 1.00 1.00 H new ATOM 0 HG12 VAL A 89 -0.467 -16.787 -8.533 1.00 1.00 H new ATOM 0 HG13 VAL A 89 0.529 -16.586 -7.072 1.00 1.00 H new ATOM 0 HG21 VAL A 89 -0.437 -13.749 -6.381 1.00 1.00 H new ATOM 0 HG22 VAL A 89 1.260 -14.282 -6.367 1.00 1.00 H new ATOM 0 HG23 VAL A 89 0.779 -12.869 -7.336 1.00 1.00 H new ATOM 1389 N SER A 90 1.439 -16.802 -10.508 1.00 1.00 N ATOM 1390 CA SER A 90 1.156 -17.537 -11.738 1.00 1.00 C ATOM 1391 C SER A 90 -0.281 -17.270 -12.217 1.00 1.00 C ATOM 1392 O SER A 90 -1.227 -17.806 -11.640 1.00 1.00 O ATOM 1393 CB SER A 90 1.335 -19.035 -11.480 1.00 1.00 C ATOM 1394 OG SER A 90 0.162 -19.556 -10.870 1.00 1.00 O ATOM 0 H SER A 90 1.924 -17.347 -9.795 1.00 1.00 H new ATOM 0 HA SER A 90 1.846 -17.203 -12.512 1.00 1.00 H new ATOM 0 HB2 SER A 90 1.531 -19.555 -12.418 1.00 1.00 H new ATOM 0 HB3 SER A 90 2.198 -19.203 -10.835 1.00 1.00 H new ATOM 0 HG SER A 90 -0.459 -18.823 -10.676 1.00 1.00 H new ATOM 1533 N SER A 100 -10.040 -6.346 -14.923 1.00 1.00 N ATOM 1534 CA SER A 100 -10.391 -5.273 -14.002 1.00 1.00 C ATOM 1535 C SER A 100 -9.853 -5.615 -12.621 1.00 1.00 C ATOM 1536 O SER A 100 -10.480 -5.325 -11.605 1.00 1.00 O ATOM 1537 CB SER A 100 -11.909 -5.101 -13.952 1.00 1.00 C ATOM 1538 OG SER A 100 -12.515 -6.346 -13.638 1.00 1.00 O ATOM 0 HA SER A 100 -9.951 -4.336 -14.343 1.00 1.00 H new ATOM 0 HB2 SER A 100 -12.177 -4.355 -13.204 1.00 1.00 H new ATOM 0 HB3 SER A 100 -12.277 -4.737 -14.911 1.00 1.00 H new ATOM 0 HG SER A 100 -11.994 -7.073 -14.037 1.00 1.00 H new ATOM 1544 N ASP A 101 -8.669 -6.235 -12.616 1.00 1.00 N ATOM 1545 CA ASP A 101 -7.995 -6.637 -11.382 1.00 1.00 C ATOM 1546 C ASP A 101 -6.570 -7.117 -11.688 1.00 1.00 C ATOM 1547 O ASP A 101 -6.362 -7.944 -12.575 1.00 1.00 O ATOM 1548 CB ASP A 101 -8.773 -7.771 -10.684 1.00 1.00 C ATOM 1549 CG ASP A 101 -9.966 -7.221 -9.904 1.00 1.00 C ATOM 1550 OD1 ASP A 101 -9.900 -6.081 -9.473 1.00 1.00 O ATOM 1551 OD2 ASP A 101 -10.929 -7.952 -9.744 1.00 1.00 O ATOM 0 H ASP A 101 -8.154 -6.471 -13.464 1.00 1.00 H new ATOM 0 HA ASP A 101 -7.954 -5.771 -10.721 1.00 1.00 H new ATOM 0 HB2 ASP A 101 -9.120 -8.489 -11.427 1.00 1.00 H new ATOM 0 HB3 ASP A 101 -8.109 -8.309 -10.007 1.00 1.00 H new ATOM 1556 N VAL A 102 -5.594 -6.601 -10.937 1.00 1.00 N ATOM 1557 CA VAL A 102 -4.183 -6.985 -11.111 1.00 1.00 C ATOM 1558 C VAL A 102 -3.733 -7.857 -9.943 1.00 1.00 C ATOM 1559 O VAL A 102 -4.013 -7.554 -8.789 1.00 1.00 O ATOM 1560 CB VAL A 102 -3.297 -5.727 -11.198 1.00 1.00 C ATOM 1561 CG1 VAL A 102 -1.819 -6.098 -10.972 1.00 1.00 C ATOM 1562 CG2 VAL A 102 -3.452 -5.079 -12.591 1.00 1.00 C ATOM 0 H VAL A 102 -5.751 -5.914 -10.200 1.00 1.00 H new ATOM 0 HA VAL A 102 -4.084 -7.551 -12.037 1.00 1.00 H new ATOM 0 HB VAL A 102 -3.611 -5.024 -10.427 1.00 1.00 H new ATOM 0 HG11 VAL A 102 -1.205 -5.200 -11.036 1.00 1.00 H new ATOM 0 HG12 VAL A 102 -1.703 -6.547 -9.986 1.00 1.00 H new ATOM 0 HG13 VAL A 102 -1.502 -6.810 -11.734 1.00 1.00 H new ATOM 0 HG21 VAL A 102 -2.825 -4.190 -12.650 1.00 1.00 H new ATOM 0 HG22 VAL A 102 -3.147 -5.790 -13.359 1.00 1.00 H new ATOM 0 HG23 VAL A 102 -4.494 -4.799 -12.748 1.00 1.00 H new ATOM 1572 N THR A 103 -3.033 -8.940 -10.262 1.00 1.00 N ATOM 1573 CA THR A 103 -2.551 -9.862 -9.231 1.00 1.00 C ATOM 1574 C THR A 103 -1.094 -9.585 -8.874 1.00 1.00 C ATOM 1575 O THR A 103 -0.195 -9.736 -9.703 1.00 1.00 O ATOM 1576 CB THR A 103 -2.694 -11.305 -9.717 1.00 1.00 C ATOM 1577 OG1 THR A 103 -4.004 -11.498 -10.234 1.00 1.00 O ATOM 1578 CG2 THR A 103 -2.464 -12.257 -8.545 1.00 1.00 C ATOM 0 H THR A 103 -2.786 -9.203 -11.216 1.00 1.00 H new ATOM 0 HA THR A 103 -3.156 -9.712 -8.337 1.00 1.00 H new ATOM 0 HB THR A 103 -1.960 -11.505 -10.498 1.00 1.00 H new ATOM 0 HG1 THR A 103 -4.662 -11.154 -9.595 1.00 1.00 H new ATOM 0 HG21 THR A 103 -2.565 -13.287 -8.888 1.00 1.00 H new ATOM 0 HG22 THR A 103 -1.462 -12.105 -8.144 1.00 1.00 H new ATOM 0 HG23 THR A 103 -3.201 -12.060 -7.766 1.00 1.00 H new ATOM 1586 N VAL A 104 -0.878 -9.189 -7.622 1.00 1.00 N ATOM 1587 CA VAL A 104 0.462 -8.892 -7.114 1.00 1.00 C ATOM 1588 C VAL A 104 0.602 -9.424 -5.687 1.00 1.00 C ATOM 1589 O VAL A 104 -0.348 -9.368 -4.904 1.00 1.00 O ATOM 1590 CB VAL A 104 0.711 -7.380 -7.154 1.00 1.00 C ATOM 1591 CG1 VAL A 104 -0.080 -6.685 -6.042 1.00 1.00 C ATOM 1592 CG2 VAL A 104 2.204 -7.101 -6.965 1.00 1.00 C ATOM 0 H VAL A 104 -1.620 -9.065 -6.934 1.00 1.00 H new ATOM 0 HA VAL A 104 1.205 -9.381 -7.743 1.00 1.00 H new ATOM 0 HB VAL A 104 0.384 -6.994 -8.119 1.00 1.00 H new ATOM 0 HG11 VAL A 104 0.105 -5.611 -6.080 1.00 1.00 H new ATOM 0 HG12 VAL A 104 -1.144 -6.875 -6.179 1.00 1.00 H new ATOM 0 HG13 VAL A 104 0.236 -7.073 -5.074 1.00 1.00 H new ATOM 0 HG21 VAL A 104 2.380 -6.026 -6.994 1.00 1.00 H new ATOM 0 HG22 VAL A 104 2.529 -7.496 -6.003 1.00 1.00 H new ATOM 0 HG23 VAL A 104 2.768 -7.582 -7.764 1.00 1.00 H new ATOM 1602 N GLN A 105 1.783 -9.955 -5.357 1.00 1.00 N ATOM 1603 CA GLN A 105 2.032 -10.516 -4.023 1.00 1.00 C ATOM 1604 C GLN A 105 3.287 -9.911 -3.393 1.00 1.00 C ATOM 1605 O GLN A 105 4.380 -10.002 -3.948 1.00 1.00 O ATOM 1606 CB GLN A 105 2.194 -12.039 -4.141 1.00 1.00 C ATOM 1607 CG GLN A 105 1.924 -12.704 -2.787 1.00 1.00 C ATOM 1608 CD GLN A 105 3.014 -12.322 -1.795 1.00 1.00 C ATOM 1609 OE1 GLN A 105 4.171 -12.704 -1.962 1.00 1.00 O ATOM 1610 NE2 GLN A 105 2.710 -11.577 -0.774 1.00 1.00 N ATOM 0 H GLN A 105 2.580 -10.009 -5.992 1.00 1.00 H new ATOM 0 HA GLN A 105 1.184 -10.277 -3.381 1.00 1.00 H new ATOM 0 HB2 GLN A 105 1.505 -12.429 -4.890 1.00 1.00 H new ATOM 0 HB3 GLN A 105 3.202 -12.280 -4.479 1.00 1.00 H new ATOM 0 HG2 GLN A 105 0.950 -12.394 -2.408 1.00 1.00 H new ATOM 0 HG3 GLN A 105 1.890 -13.787 -2.904 1.00 1.00 H new ATOM 0 HE21 GLN A 105 1.749 -11.263 -0.640 1.00 1.00 H new ATOM 0 HE22 GLN A 105 3.433 -11.307 -0.107 1.00 1.00 H new ATOM 1619 N LEU A 106 3.108 -9.273 -2.234 1.00 1.00 N ATOM 1620 CA LEU A 106 4.220 -8.628 -1.530 1.00 1.00 C ATOM 1621 C LEU A 106 4.918 -9.585 -0.560 1.00 1.00 C ATOM 1622 O LEU A 106 4.298 -10.163 0.331 1.00 1.00 O ATOM 1623 CB LEU A 106 3.686 -7.414 -0.764 1.00 1.00 C ATOM 1624 CG LEU A 106 2.827 -7.883 0.440 1.00 1.00 C ATOM 1625 CD1 LEU A 106 3.689 -8.046 1.721 1.00 1.00 C ATOM 1626 CD2 LEU A 106 1.707 -6.861 0.694 1.00 1.00 C ATOM 0 H LEU A 106 2.207 -9.189 -1.764 1.00 1.00 H new ATOM 0 HA LEU A 106 4.958 -8.319 -2.270 1.00 1.00 H new ATOM 0 HB2 LEU A 106 4.516 -6.801 -0.412 1.00 1.00 H new ATOM 0 HB3 LEU A 106 3.087 -6.789 -1.427 1.00 1.00 H new ATOM 0 HG LEU A 106 2.398 -8.855 0.198 1.00 1.00 H new ATOM 0 HD11 LEU A 106 3.057 -8.375 2.546 1.00 1.00 H new ATOM 0 HD12 LEU A 106 4.469 -8.787 1.543 1.00 1.00 H new ATOM 0 HD13 LEU A 106 4.148 -7.090 1.975 1.00 1.00 H new ATOM 0 HD21 LEU A 106 1.101 -7.187 1.539 1.00 1.00 H new ATOM 0 HD22 LEU A 106 2.146 -5.888 0.916 1.00 1.00 H new ATOM 0 HD23 LEU A 106 1.079 -6.782 -0.193 1.00 1.00 H new ATOM 1638 N ASN A 107 6.219 -9.752 -0.765 1.00 1.00 N ATOM 1639 CA ASN A 107 7.020 -10.654 0.074 1.00 1.00 C ATOM 1640 C ASN A 107 7.984 -9.901 0.993 1.00 1.00 C ATOM 1641 O ASN A 107 9.202 -10.025 0.858 1.00 1.00 O ATOM 1642 CB ASN A 107 7.806 -11.616 -0.804 1.00 1.00 C ATOM 1643 CG ASN A 107 6.884 -12.245 -1.838 1.00 1.00 C ATOM 1644 OD1 ASN A 107 6.157 -11.475 -2.600 1.00 1.00 O flip ATOM 1645 ND2 ASN A 107 6.816 -13.469 -1.950 1.00 1.00 N flip ATOM 0 H ASN A 107 6.746 -9.280 -1.500 1.00 1.00 H new ATOM 0 HA ASN A 107 6.323 -11.202 0.708 1.00 1.00 H new ATOM 0 HB2 ASN A 107 8.618 -11.086 -1.302 1.00 1.00 H new ATOM 0 HB3 ASN A 107 8.262 -12.393 -0.190 1.00 1.00 H new ATOM 0 HD21 ASN A 107 7.386 -14.068 -1.353 1.00 1.00 H new ATOM 0 HD22 ASN A 107 6.190 -13.884 -2.640 1.00 1.00 H new ATOM 1652 N THR A 108 7.439 -9.133 1.935 1.00 1.00 N ATOM 1653 CA THR A 108 8.284 -8.391 2.863 1.00 1.00 C ATOM 1654 C THR A 108 8.920 -9.359 3.860 1.00 1.00 C ATOM 1655 O THR A 108 8.582 -10.542 3.889 1.00 1.00 O ATOM 1656 CB THR A 108 7.461 -7.319 3.607 1.00 1.00 C ATOM 1657 OG1 THR A 108 6.389 -6.891 2.779 1.00 1.00 O ATOM 1658 CG2 THR A 108 8.342 -6.112 3.962 1.00 1.00 C ATOM 0 H THR A 108 6.436 -9.010 2.073 1.00 1.00 H new ATOM 0 HA THR A 108 9.070 -7.886 2.301 1.00 1.00 H new ATOM 0 HB THR A 108 7.072 -7.752 4.528 1.00 1.00 H new ATOM 0 HG1 THR A 108 5.961 -6.105 3.178 1.00 1.00 H new ATOM 0 HG21 THR A 108 7.744 -5.367 4.486 1.00 1.00 H new ATOM 0 HG22 THR A 108 9.162 -6.436 4.603 1.00 1.00 H new ATOM 0 HG23 THR A 108 8.747 -5.676 3.049 1.00 1.00 H new ATOM 1666 N ALA A 109 9.846 -8.853 4.661 1.00 1.00 N ATOM 1667 CA ALA A 109 10.537 -9.682 5.640 1.00 1.00 C ATOM 1668 C ALA A 109 9.565 -10.308 6.644 1.00 1.00 C ATOM 1669 O ALA A 109 9.725 -11.467 7.027 1.00 1.00 O ATOM 1670 CB ALA A 109 11.569 -8.829 6.384 1.00 1.00 C ATOM 0 H ALA A 109 10.136 -7.875 4.653 1.00 1.00 H new ATOM 0 HA ALA A 109 11.031 -10.495 5.108 1.00 1.00 H new ATOM 0 HB1 ALA A 109 12.089 -9.445 7.118 1.00 1.00 H new ATOM 0 HB2 ALA A 109 12.290 -8.427 5.672 1.00 1.00 H new ATOM 0 HB3 ALA A 109 11.064 -8.008 6.892 1.00 1.00 H new ATOM 1676 N GLU A 110 8.566 -9.540 7.081 1.00 1.00 N ATOM 1677 CA GLU A 110 7.585 -10.037 8.057 1.00 1.00 C ATOM 1678 C GLU A 110 6.171 -9.766 7.570 1.00 1.00 C ATOM 1679 O GLU A 110 5.230 -9.705 8.361 1.00 1.00 O ATOM 1680 CB GLU A 110 7.798 -9.339 9.407 1.00 1.00 C ATOM 1681 CG GLU A 110 7.372 -7.868 9.308 1.00 1.00 C ATOM 1682 CD GLU A 110 7.813 -7.117 10.561 1.00 1.00 C ATOM 1683 OE1 GLU A 110 7.831 -7.727 11.617 1.00 1.00 O ATOM 1684 OE2 GLU A 110 8.126 -5.943 10.446 1.00 1.00 O ATOM 0 H GLU A 110 8.412 -8.578 6.780 1.00 1.00 H new ATOM 0 HA GLU A 110 7.723 -11.112 8.173 1.00 1.00 H new ATOM 0 HB2 GLU A 110 7.220 -9.843 10.182 1.00 1.00 H new ATOM 0 HB3 GLU A 110 8.846 -9.404 9.698 1.00 1.00 H new ATOM 0 HG2 GLU A 110 7.815 -7.410 8.424 1.00 1.00 H new ATOM 0 HG3 GLU A 110 6.290 -7.800 9.194 1.00 1.00 H new ATOM 1691 N LEU A 111 6.026 -9.612 6.262 1.00 1.00 N ATOM 1692 CA LEU A 111 4.717 -9.348 5.674 1.00 1.00 C ATOM 1693 C LEU A 111 4.544 -10.193 4.420 1.00 1.00 C ATOM 1694 O LEU A 111 5.384 -10.182 3.519 1.00 1.00 O ATOM 1695 CB LEU A 111 4.574 -7.840 5.359 1.00 1.00 C ATOM 1696 CG LEU A 111 3.157 -7.310 5.696 1.00 1.00 C ATOM 1697 CD1 LEU A 111 2.066 -8.238 5.132 1.00 1.00 C ATOM 1698 CD2 LEU A 111 2.983 -7.172 7.221 1.00 1.00 C ATOM 0 H LEU A 111 6.792 -9.664 5.590 1.00 1.00 H new ATOM 0 HA LEU A 111 3.934 -9.618 6.382 1.00 1.00 H new ATOM 0 HB2 LEU A 111 5.316 -7.279 5.927 1.00 1.00 H new ATOM 0 HB3 LEU A 111 4.784 -7.668 4.303 1.00 1.00 H new ATOM 0 HG LEU A 111 3.051 -6.330 5.231 1.00 1.00 H new ATOM 0 HD11 LEU A 111 1.083 -7.840 5.385 1.00 1.00 H new ATOM 0 HD12 LEU A 111 2.165 -8.299 4.048 1.00 1.00 H new ATOM 0 HD13 LEU A 111 2.176 -9.233 5.563 1.00 1.00 H new ATOM 0 HD21 LEU A 111 1.983 -6.799 7.441 1.00 1.00 H new ATOM 0 HD22 LEU A 111 3.119 -8.145 7.692 1.00 1.00 H new ATOM 0 HD23 LEU A 111 3.724 -6.474 7.610 1.00 1.00 H new ATOM 1710 N LYS A 112 3.432 -10.908 4.376 1.00 1.00 N ATOM 1711 CA LYS A 112 3.110 -11.758 3.230 1.00 1.00 C ATOM 1712 C LYS A 112 1.604 -11.804 3.027 1.00 1.00 C ATOM 1713 O LYS A 112 0.873 -12.411 3.811 1.00 1.00 O ATOM 1714 CB LYS A 112 3.656 -13.174 3.433 1.00 1.00 C ATOM 1715 CG LYS A 112 3.605 -13.930 2.101 1.00 1.00 C ATOM 1716 CD LYS A 112 4.287 -15.290 2.248 1.00 1.00 C ATOM 1717 CE LYS A 112 4.289 -16.003 0.895 1.00 1.00 C ATOM 1718 NZ LYS A 112 2.891 -16.350 0.513 1.00 1.00 N ATOM 0 H LYS A 112 2.733 -10.920 5.119 1.00 1.00 H new ATOM 0 HA LYS A 112 3.579 -11.334 2.342 1.00 1.00 H new ATOM 0 HB2 LYS A 112 4.681 -13.132 3.802 1.00 1.00 H new ATOM 0 HB3 LYS A 112 3.068 -13.699 4.186 1.00 1.00 H new ATOM 0 HG2 LYS A 112 2.569 -14.065 1.789 1.00 1.00 H new ATOM 0 HG3 LYS A 112 4.099 -13.348 1.323 1.00 1.00 H new ATOM 0 HD2 LYS A 112 5.309 -15.161 2.605 1.00 1.00 H new ATOM 0 HD3 LYS A 112 3.764 -15.894 2.990 1.00 1.00 H new ATOM 0 HE2 LYS A 112 4.736 -15.362 0.135 1.00 1.00 H new ATOM 0 HE3 LYS A 112 4.897 -16.906 0.949 1.00 1.00 H new ATOM 0 HZ1 LYS A 112 2.905 -17.070 -0.238 1.00 1.00 H new ATOM 0 HZ2 LYS A 112 2.387 -16.724 1.342 1.00 1.00 H new ATOM 0 HZ3 LYS A 112 2.404 -15.499 0.167 1.00 1.00 H new ATOM 1732 N LEU A 113 1.157 -11.138 1.969 1.00 1.00 N ATOM 1733 CA LEU A 113 -0.274 -11.070 1.648 1.00 1.00 C ATOM 1734 C LEU A 113 -0.508 -11.035 0.139 1.00 1.00 C ATOM 1735 O LEU A 113 0.422 -10.860 -0.645 1.00 1.00 O ATOM 1736 CB LEU A 113 -0.893 -9.823 2.297 1.00 1.00 C ATOM 1737 CG LEU A 113 -1.138 -10.056 3.805 1.00 1.00 C ATOM 1738 CD1 LEU A 113 -1.532 -8.732 4.487 1.00 1.00 C ATOM 1739 CD2 LEU A 113 -2.259 -11.106 4.019 1.00 1.00 C ATOM 0 H LEU A 113 1.759 -10.636 1.316 1.00 1.00 H new ATOM 0 HA LEU A 113 -0.750 -11.967 2.043 1.00 1.00 H new ATOM 0 HB2 LEU A 113 -0.231 -8.968 2.159 1.00 1.00 H new ATOM 0 HB3 LEU A 113 -1.834 -9.580 1.804 1.00 1.00 H new ATOM 0 HG LEU A 113 -0.216 -10.431 4.249 1.00 1.00 H new ATOM 0 HD11 LEU A 113 -1.703 -8.907 5.549 1.00 1.00 H new ATOM 0 HD12 LEU A 113 -0.729 -8.006 4.363 1.00 1.00 H new ATOM 0 HD13 LEU A 113 -2.444 -8.346 4.032 1.00 1.00 H new ATOM 0 HD21 LEU A 113 -2.417 -11.257 5.087 1.00 1.00 H new ATOM 0 HD22 LEU A 113 -3.182 -10.751 3.562 1.00 1.00 H new ATOM 0 HD23 LEU A 113 -1.966 -12.050 3.559 1.00 1.00 H new ATOM 1751 N VAL A 114 -1.775 -11.183 -0.252 1.00 1.00 N ATOM 1752 CA VAL A 114 -2.165 -11.157 -1.665 1.00 1.00 C ATOM 1753 C VAL A 114 -3.245 -10.096 -1.884 1.00 1.00 C ATOM 1754 O VAL A 114 -4.280 -10.107 -1.216 1.00 1.00 O ATOM 1755 CB VAL A 114 -2.711 -12.533 -2.083 1.00 1.00 C ATOM 1756 CG1 VAL A 114 -3.335 -12.446 -3.481 1.00 1.00 C ATOM 1757 CG2 VAL A 114 -1.572 -13.562 -2.100 1.00 1.00 C ATOM 0 H VAL A 114 -2.553 -11.323 0.393 1.00 1.00 H new ATOM 0 HA VAL A 114 -1.290 -10.916 -2.269 1.00 1.00 H new ATOM 0 HB VAL A 114 -3.471 -12.843 -1.366 1.00 1.00 H new ATOM 0 HG11 VAL A 114 -3.719 -13.424 -3.769 1.00 1.00 H new ATOM 0 HG12 VAL A 114 -4.152 -11.724 -3.471 1.00 1.00 H new ATOM 0 HG13 VAL A 114 -2.578 -12.128 -4.198 1.00 1.00 H new ATOM 0 HG21 VAL A 114 -1.965 -14.535 -2.397 1.00 1.00 H new ATOM 0 HG22 VAL A 114 -0.808 -13.247 -2.811 1.00 1.00 H new ATOM 0 HG23 VAL A 114 -1.134 -13.636 -1.105 1.00 1.00 H new ATOM 1767 N PHE A 115 -2.995 -9.181 -2.820 1.00 1.00 N ATOM 1768 CA PHE A 115 -3.938 -8.105 -3.131 1.00 1.00 C ATOM 1769 C PHE A 115 -4.265 -8.064 -4.623 1.00 1.00 C ATOM 1770 O PHE A 115 -3.401 -8.281 -5.473 1.00 1.00 O ATOM 1771 CB PHE A 115 -3.353 -6.747 -2.722 1.00 1.00 C ATOM 1772 CG PHE A 115 -3.239 -6.653 -1.217 1.00 1.00 C ATOM 1773 CD1 PHE A 115 -4.356 -6.299 -0.448 1.00 1.00 C ATOM 1774 CD2 PHE A 115 -2.016 -6.913 -0.590 1.00 1.00 C ATOM 1775 CE1 PHE A 115 -4.245 -6.211 0.946 1.00 1.00 C ATOM 1776 CE2 PHE A 115 -1.912 -6.824 0.803 1.00 1.00 C ATOM 1777 CZ PHE A 115 -3.024 -6.477 1.569 1.00 1.00 C ATOM 0 H PHE A 115 -2.142 -9.163 -3.380 1.00 1.00 H new ATOM 0 HA PHE A 115 -4.852 -8.304 -2.571 1.00 1.00 H new ATOM 0 HB2 PHE A 115 -2.371 -6.615 -3.176 1.00 1.00 H new ATOM 0 HB3 PHE A 115 -3.987 -5.943 -3.096 1.00 1.00 H new ATOM 0 HD1 PHE A 115 -5.301 -6.094 -0.929 1.00 1.00 H new ATOM 0 HD2 PHE A 115 -1.153 -7.182 -1.180 1.00 1.00 H new ATOM 0 HE1 PHE A 115 -5.105 -5.937 1.539 1.00 1.00 H new ATOM 0 HE2 PHE A 115 -0.967 -7.025 1.286 1.00 1.00 H new ATOM 0 HZ PHE A 115 -2.941 -6.414 2.644 1.00 1.00 H new ATOM 1787 N GLN A 116 -5.528 -7.752 -4.920 1.00 1.00 N ATOM 1788 CA GLN A 116 -6.005 -7.640 -6.300 1.00 1.00 C ATOM 1789 C GLN A 116 -6.211 -6.168 -6.655 1.00 1.00 C ATOM 1790 O GLN A 116 -7.321 -5.649 -6.559 1.00 1.00 O ATOM 1791 CB GLN A 116 -7.327 -8.402 -6.469 1.00 1.00 C ATOM 1792 CG GLN A 116 -7.050 -9.910 -6.574 1.00 1.00 C ATOM 1793 CD GLN A 116 -6.635 -10.266 -8.001 1.00 1.00 C ATOM 1794 OE1 GLN A 116 -5.393 -10.562 -8.261 1.00 1.00 O flip ATOM 1795 NE2 GLN A 116 -7.469 -10.263 -8.906 1.00 1.00 N flip ATOM 0 H GLN A 116 -6.244 -7.571 -4.217 1.00 1.00 H new ATOM 0 HA GLN A 116 -5.260 -8.074 -6.967 1.00 1.00 H new ATOM 0 HB2 GLN A 116 -7.983 -8.202 -5.622 1.00 1.00 H new ATOM 0 HB3 GLN A 116 -7.845 -8.055 -7.363 1.00 1.00 H new ATOM 0 HG2 GLN A 116 -6.262 -10.193 -5.876 1.00 1.00 H new ATOM 0 HG3 GLN A 116 -7.941 -10.472 -6.294 1.00 1.00 H new ATOM 0 HE21 GLN A 116 -8.441 -10.031 -8.703 1.00 1.00 H new ATOM 0 HE22 GLN A 116 -7.188 -10.492 -9.859 1.00 1.00 H new ATOM 1804 N LEU A 117 -5.130 -5.501 -7.044 1.00 1.00 N ATOM 1805 CA LEU A 117 -5.204 -4.082 -7.389 1.00 1.00 C ATOM 1806 C LEU A 117 -5.975 -3.890 -8.703 1.00 1.00 C ATOM 1807 O LEU A 117 -6.306 -4.875 -9.360 1.00 1.00 O ATOM 1808 CB LEU A 117 -3.788 -3.514 -7.500 1.00 1.00 C ATOM 1809 CG LEU A 117 -2.905 -4.105 -6.394 1.00 1.00 C ATOM 1810 CD1 LEU A 117 -1.555 -3.383 -6.377 1.00 1.00 C ATOM 1811 CD2 LEU A 117 -3.592 -3.922 -5.033 1.00 1.00 C ATOM 0 H LEU A 117 -4.201 -5.913 -7.129 1.00 1.00 H new ATOM 0 HA LEU A 117 -5.740 -3.546 -6.606 1.00 1.00 H new ATOM 0 HB2 LEU A 117 -3.368 -3.748 -8.478 1.00 1.00 H new ATOM 0 HB3 LEU A 117 -3.814 -2.428 -7.416 1.00 1.00 H new ATOM 0 HG LEU A 117 -2.751 -5.167 -6.586 1.00 1.00 H new ATOM 0 HD11 LEU A 117 -0.928 -3.803 -5.591 1.00 1.00 H new ATOM 0 HD12 LEU A 117 -1.062 -3.510 -7.341 1.00 1.00 H new ATOM 0 HD13 LEU A 117 -1.713 -2.321 -6.187 1.00 1.00 H new ATOM 0 HD21 LEU A 117 -2.963 -4.343 -4.248 1.00 1.00 H new ATOM 0 HD22 LEU A 117 -3.747 -2.860 -4.844 1.00 1.00 H new ATOM 0 HD23 LEU A 117 -4.555 -4.433 -5.040 1.00 1.00 H new ATOM 1823 N PRO A 118 -6.292 -2.667 -9.100 1.00 1.00 N ATOM 1824 CA PRO A 118 -7.067 -2.410 -10.359 1.00 1.00 C ATOM 1825 C PRO A 118 -6.354 -2.916 -11.614 1.00 1.00 C ATOM 1826 O PRO A 118 -5.549 -3.841 -11.553 1.00 1.00 O ATOM 1827 CB PRO A 118 -7.238 -0.879 -10.389 1.00 1.00 C ATOM 1828 CG PRO A 118 -7.024 -0.446 -8.978 1.00 1.00 C ATOM 1829 CD PRO A 118 -5.967 -1.393 -8.428 1.00 1.00 C ATOM 0 HA PRO A 118 -8.016 -2.945 -10.358 1.00 1.00 H new ATOM 0 HB2 PRO A 118 -6.516 -0.413 -11.060 1.00 1.00 H new ATOM 0 HB3 PRO A 118 -8.230 -0.598 -10.743 1.00 1.00 H new ATOM 0 HG2 PRO A 118 -6.688 0.590 -8.930 1.00 1.00 H new ATOM 0 HG3 PRO A 118 -7.947 -0.509 -8.402 1.00 1.00 H new ATOM 0 HD2 PRO A 118 -4.958 -1.056 -8.666 1.00 1.00 H new ATOM 0 HD3 PRO A 118 -6.027 -1.481 -7.343 1.00 1.00 H new ATOM 1837 N PHE A 119 -6.696 -2.313 -12.753 1.00 1.00 N ATOM 1838 CA PHE A 119 -6.132 -2.709 -14.045 1.00 1.00 C ATOM 1839 C PHE A 119 -4.961 -1.833 -14.511 1.00 1.00 C ATOM 1840 O PHE A 119 -5.164 -0.697 -14.934 1.00 1.00 O ATOM 1841 CB PHE A 119 -7.239 -2.612 -15.087 1.00 1.00 C ATOM 1842 CG PHE A 119 -6.702 -2.956 -16.458 1.00 1.00 C ATOM 1843 CD1 PHE A 119 -6.158 -4.225 -16.698 1.00 1.00 C ATOM 1844 CD2 PHE A 119 -6.751 -2.008 -17.490 1.00 1.00 C ATOM 1845 CE1 PHE A 119 -5.665 -4.543 -17.968 1.00 1.00 C ATOM 1846 CE2 PHE A 119 -6.256 -2.327 -18.758 1.00 1.00 C ATOM 1847 CZ PHE A 119 -5.714 -3.595 -18.998 1.00 1.00 C ATOM 0 H PHE A 119 -7.364 -1.544 -12.807 1.00 1.00 H new ATOM 0 HA PHE A 119 -5.742 -3.720 -13.927 1.00 1.00 H new ATOM 0 HB2 PHE A 119 -8.052 -3.290 -14.827 1.00 1.00 H new ATOM 0 HB3 PHE A 119 -7.654 -1.604 -15.094 1.00 1.00 H new ATOM 0 HD1 PHE A 119 -6.119 -4.956 -15.904 1.00 1.00 H new ATOM 0 HD2 PHE A 119 -7.171 -1.031 -17.305 1.00 1.00 H new ATOM 0 HE1 PHE A 119 -5.246 -5.521 -18.155 1.00 1.00 H new ATOM 0 HE2 PHE A 119 -6.292 -1.596 -19.552 1.00 1.00 H new ATOM 0 HZ PHE A 119 -5.333 -3.843 -19.978 1.00 1.00 H new ATOM 1857 N GLY A 120 -3.742 -2.391 -14.459 1.00 1.00 N ATOM 1858 CA GLY A 120 -2.530 -1.683 -14.904 1.00 1.00 C ATOM 1859 C GLY A 120 -2.661 -0.171 -14.756 1.00 1.00 C ATOM 1860 O GLY A 120 -3.252 0.307 -13.790 1.00 1.00 O ATOM 0 H GLY A 120 -3.568 -3.334 -14.112 1.00 1.00 H new ATOM 0 HA2 GLY A 120 -1.675 -2.031 -14.325 1.00 1.00 H new ATOM 0 HA3 GLY A 120 -2.330 -1.929 -15.947 1.00 1.00 H new ATOM 1864 N SER A 121 -2.117 0.568 -15.729 1.00 1.00 N ATOM 1865 CA SER A 121 -2.183 2.033 -15.716 1.00 1.00 C ATOM 1866 C SER A 121 -2.094 2.579 -14.291 1.00 1.00 C ATOM 1867 O SER A 121 -1.011 2.900 -13.804 1.00 1.00 O ATOM 1868 CB SER A 121 -3.494 2.485 -16.362 1.00 1.00 C ATOM 1869 OG SER A 121 -3.552 1.996 -17.696 1.00 1.00 O ATOM 0 H SER A 121 -1.627 0.177 -16.534 1.00 1.00 H new ATOM 0 HA SER A 121 -1.335 2.423 -16.280 1.00 1.00 H new ATOM 0 HB2 SER A 121 -4.343 2.113 -15.789 1.00 1.00 H new ATOM 0 HB3 SER A 121 -3.559 3.573 -16.358 1.00 1.00 H new ATOM 0 HG SER A 121 -4.391 2.282 -18.113 1.00 1.00 H new ATOM 1875 N HIS A 122 -3.243 2.670 -13.631 1.00 1.00 N ATOM 1876 CA HIS A 122 -3.295 3.164 -12.265 1.00 1.00 C ATOM 1877 C HIS A 122 -2.416 2.305 -11.357 1.00 1.00 C ATOM 1878 O HIS A 122 -1.839 2.801 -10.390 1.00 1.00 O ATOM 1879 CB HIS A 122 -4.739 3.139 -11.756 1.00 1.00 C ATOM 1880 CG HIS A 122 -4.837 3.909 -10.467 1.00 1.00 C ATOM 1881 ND1 HIS A 122 -4.678 5.286 -10.416 1.00 1.00 N ATOM 1882 CD2 HIS A 122 -5.085 3.513 -9.176 1.00 1.00 C ATOM 1883 CE1 HIS A 122 -4.832 5.664 -9.134 1.00 1.00 C ATOM 1884 NE2 HIS A 122 -5.082 4.623 -8.336 1.00 1.00 N ATOM 0 H HIS A 122 -4.148 2.408 -14.021 1.00 1.00 H new ATOM 0 HA HIS A 122 -2.924 4.189 -12.250 1.00 1.00 H new ATOM 0 HB2 HIS A 122 -5.405 3.573 -12.502 1.00 1.00 H new ATOM 0 HB3 HIS A 122 -5.062 2.110 -11.601 1.00 1.00 H new ATOM 0 HD2 HIS A 122 -5.256 2.495 -8.860 1.00 1.00 H new ATOM 0 HE1 HIS A 122 -4.762 6.686 -8.792 1.00 1.00 H new ATOM 0 HE2 HIS A 122 -5.237 4.638 -7.328 1.00 1.00 H new ATOM 1892 N THR A 123 -2.310 1.012 -11.677 1.00 1.00 N ATOM 1893 CA THR A 123 -1.489 0.097 -10.883 1.00 1.00 C ATOM 1894 C THR A 123 -0.052 0.057 -11.398 1.00 1.00 C ATOM 1895 O THR A 123 0.883 -0.118 -10.621 1.00 1.00 O ATOM 1896 CB THR A 123 -2.064 -1.322 -10.939 1.00 1.00 C ATOM 1897 OG1 THR A 123 -3.377 -1.325 -10.398 1.00 1.00 O ATOM 1898 CG2 THR A 123 -1.170 -2.266 -10.129 1.00 1.00 C ATOM 0 H THR A 123 -2.778 0.579 -12.473 1.00 1.00 H new ATOM 0 HA THR A 123 -1.494 0.463 -9.856 1.00 1.00 H new ATOM 0 HB THR A 123 -2.102 -1.659 -11.975 1.00 1.00 H new ATOM 0 HG1 THR A 123 -3.744 -2.233 -10.436 1.00 1.00 H new ATOM 0 HG21 THR A 123 -1.578 -3.276 -10.168 1.00 1.00 H new ATOM 0 HG22 THR A 123 -0.164 -2.264 -10.549 1.00 1.00 H new ATOM 0 HG23 THR A 123 -1.131 -1.930 -9.093 1.00 1.00 H new ATOM 1906 N ARG A 124 0.121 0.189 -12.710 1.00 1.00 N ATOM 1907 CA ARG A 124 1.458 0.134 -13.300 1.00 1.00 C ATOM 1908 C ARG A 124 2.356 1.222 -12.732 1.00 1.00 C ATOM 1909 O ARG A 124 3.513 0.970 -12.397 1.00 1.00 O ATOM 1910 CB ARG A 124 1.360 0.294 -14.823 1.00 1.00 C ATOM 1911 CG ARG A 124 2.757 0.239 -15.463 1.00 1.00 C ATOM 1912 CD ARG A 124 3.431 -1.102 -15.154 1.00 1.00 C ATOM 1913 NE ARG A 124 4.421 -1.410 -16.177 1.00 1.00 N ATOM 1914 CZ ARG A 124 5.342 -2.343 -15.975 1.00 1.00 C ATOM 1915 NH1 ARG A 124 5.366 -2.994 -14.846 1.00 1.00 N ATOM 1916 NH2 ARG A 124 6.220 -2.607 -16.903 1.00 1.00 N ATOM 0 H ARG A 124 -0.636 0.333 -13.379 1.00 1.00 H new ATOM 0 HA ARG A 124 1.896 -0.834 -13.057 1.00 1.00 H new ATOM 0 HB2 ARG A 124 0.733 -0.495 -15.238 1.00 1.00 H new ATOM 0 HB3 ARG A 124 0.880 1.243 -15.065 1.00 1.00 H new ATOM 0 HG2 ARG A 124 2.676 0.373 -16.542 1.00 1.00 H new ATOM 0 HG3 ARG A 124 3.370 1.057 -15.085 1.00 1.00 H new ATOM 0 HD2 ARG A 124 3.908 -1.061 -14.175 1.00 1.00 H new ATOM 0 HD3 ARG A 124 2.682 -1.893 -15.111 1.00 1.00 H new ATOM 0 HE ARG A 124 4.406 -0.901 -17.061 1.00 1.00 H new ATOM 0 HH11 ARG A 124 4.678 -2.785 -14.122 1.00 1.00 H new ATOM 0 HH12 ARG A 124 6.072 -3.712 -14.686 1.00 1.00 H new ATOM 0 HH21 ARG A 124 6.199 -2.096 -17.785 1.00 1.00 H new ATOM 0 HH22 ARG A 124 6.928 -3.325 -16.746 1.00 1.00 H new ATOM 1930 N THR A 125 1.822 2.426 -12.622 1.00 1.00 N ATOM 1931 CA THR A 125 2.590 3.543 -12.093 1.00 1.00 C ATOM 1932 C THR A 125 3.005 3.261 -10.658 1.00 1.00 C ATOM 1933 O THR A 125 4.094 3.638 -10.228 1.00 1.00 O ATOM 1934 CB THR A 125 1.754 4.822 -12.147 1.00 1.00 C ATOM 1935 OG1 THR A 125 2.555 5.926 -11.747 1.00 1.00 O ATOM 1936 CG2 THR A 125 0.555 4.687 -11.208 1.00 1.00 C ATOM 0 H THR A 125 0.865 2.656 -12.890 1.00 1.00 H new ATOM 0 HA THR A 125 3.485 3.673 -12.702 1.00 1.00 H new ATOM 0 HB THR A 125 1.398 4.984 -13.164 1.00 1.00 H new ATOM 0 HG1 THR A 125 2.021 6.747 -11.782 1.00 1.00 H new ATOM 0 HG21 THR A 125 -0.041 5.599 -11.246 1.00 1.00 H new ATOM 0 HG22 THR A 125 -0.057 3.840 -11.518 1.00 1.00 H new ATOM 0 HG23 THR A 125 0.907 4.526 -10.189 1.00 1.00 H new ATOM 1944 N PHE A 126 2.122 2.610 -9.915 1.00 1.00 N ATOM 1945 CA PHE A 126 2.404 2.297 -8.524 1.00 1.00 C ATOM 1946 C PHE A 126 3.686 1.476 -8.402 1.00 1.00 C ATOM 1947 O PHE A 126 4.535 1.767 -7.559 1.00 1.00 O ATOM 1948 CB PHE A 126 1.237 1.517 -7.920 1.00 1.00 C ATOM 1949 CG PHE A 126 1.473 1.320 -6.445 1.00 1.00 C ATOM 1950 CD1 PHE A 126 2.193 0.209 -5.994 1.00 1.00 C ATOM 1951 CD2 PHE A 126 0.969 2.247 -5.526 1.00 1.00 C ATOM 1952 CE1 PHE A 126 2.410 0.025 -4.625 1.00 1.00 C ATOM 1953 CE2 PHE A 126 1.185 2.062 -4.157 1.00 1.00 C ATOM 1954 CZ PHE A 126 1.907 0.952 -3.708 1.00 1.00 C ATOM 0 H PHE A 126 1.213 2.291 -10.249 1.00 1.00 H new ATOM 0 HA PHE A 126 2.537 3.233 -7.982 1.00 1.00 H new ATOM 0 HB2 PHE A 126 0.304 2.056 -8.081 1.00 1.00 H new ATOM 0 HB3 PHE A 126 1.136 0.551 -8.415 1.00 1.00 H new ATOM 0 HD1 PHE A 126 2.581 -0.507 -6.703 1.00 1.00 H new ATOM 0 HD2 PHE A 126 0.413 3.105 -5.874 1.00 1.00 H new ATOM 0 HE1 PHE A 126 2.966 -0.833 -4.276 1.00 1.00 H new ATOM 0 HE2 PHE A 126 0.794 2.776 -3.447 1.00 1.00 H new ATOM 0 HZ PHE A 126 2.076 0.811 -2.651 1.00 1.00 H new ATOM 1964 N LEU A 127 3.811 0.425 -9.212 1.00 1.00 N ATOM 1965 CA LEU A 127 4.982 -0.449 -9.140 1.00 1.00 C ATOM 1966 C LEU A 127 6.274 0.346 -9.246 1.00 1.00 C ATOM 1967 O LEU A 127 7.225 0.098 -8.502 1.00 1.00 O ATOM 1968 CB LEU A 127 4.963 -1.456 -10.297 1.00 1.00 C ATOM 1969 CG LEU A 127 3.598 -2.132 -10.397 1.00 1.00 C ATOM 1970 CD1 LEU A 127 3.622 -3.149 -11.541 1.00 1.00 C ATOM 1971 CD2 LEU A 127 3.272 -2.847 -9.080 1.00 1.00 C ATOM 0 H LEU A 127 3.124 0.160 -9.918 1.00 1.00 H new ATOM 0 HA LEU A 127 4.941 -0.960 -8.178 1.00 1.00 H new ATOM 0 HB2 LEU A 127 5.193 -0.947 -11.233 1.00 1.00 H new ATOM 0 HB3 LEU A 127 5.737 -2.208 -10.145 1.00 1.00 H new ATOM 0 HG LEU A 127 2.834 -1.379 -10.591 1.00 1.00 H new ATOM 0 HD11 LEU A 127 2.649 -3.635 -11.617 1.00 1.00 H new ATOM 0 HD12 LEU A 127 3.846 -2.638 -12.477 1.00 1.00 H new ATOM 0 HD13 LEU A 127 4.388 -3.899 -11.345 1.00 1.00 H new ATOM 0 HD21 LEU A 127 2.297 -3.327 -9.158 1.00 1.00 H new ATOM 0 HD22 LEU A 127 4.032 -3.601 -8.878 1.00 1.00 H new ATOM 0 HD23 LEU A 127 3.255 -2.122 -8.267 1.00 1.00 H new ATOM 1983 N GLN A 128 6.328 1.272 -10.194 1.00 1.00 N ATOM 1984 CA GLN A 128 7.534 2.060 -10.411 1.00 1.00 C ATOM 1985 C GLN A 128 7.893 2.918 -9.196 1.00 1.00 C ATOM 1986 O GLN A 128 9.069 3.058 -8.859 1.00 1.00 O ATOM 1987 CB GLN A 128 7.327 2.965 -11.630 1.00 1.00 C ATOM 1988 CG GLN A 128 6.639 2.181 -12.758 1.00 1.00 C ATOM 1989 CD GLN A 128 7.350 0.853 -13.007 1.00 1.00 C ATOM 1990 OE1 GLN A 128 8.580 0.803 -13.047 1.00 1.00 O ATOM 1991 NE2 GLN A 128 6.641 -0.233 -13.185 1.00 1.00 N ATOM 0 H GLN A 128 5.556 1.495 -10.822 1.00 1.00 H new ATOM 0 HA GLN A 128 8.359 1.368 -10.578 1.00 1.00 H new ATOM 0 HB2 GLN A 128 6.721 3.828 -11.354 1.00 1.00 H new ATOM 0 HB3 GLN A 128 8.287 3.348 -11.976 1.00 1.00 H new ATOM 0 HG2 GLN A 128 5.597 1.997 -12.496 1.00 1.00 H new ATOM 0 HG3 GLN A 128 6.638 2.775 -13.672 1.00 1.00 H new ATOM 0 HE21 GLN A 128 5.623 -0.188 -13.151 1.00 1.00 H new ATOM 0 HE22 GLN A 128 7.107 -1.124 -13.357 1.00 1.00 H new ATOM 2000 N GLU A 129 6.889 3.499 -8.550 1.00 1.00 N ATOM 2001 CA GLU A 129 7.138 4.351 -7.388 1.00 1.00 C ATOM 2002 C GLU A 129 7.825 3.558 -6.274 1.00 1.00 C ATOM 2003 O GLU A 129 8.777 4.039 -5.661 1.00 1.00 O ATOM 2004 CB GLU A 129 5.802 4.947 -6.880 1.00 1.00 C ATOM 2005 CG GLU A 129 5.602 6.375 -7.413 1.00 1.00 C ATOM 2006 CD GLU A 129 5.444 6.359 -8.929 1.00 1.00 C ATOM 2007 OE1 GLU A 129 5.596 5.298 -9.509 1.00 1.00 O ATOM 2008 OE2 GLU A 129 5.185 7.412 -9.489 1.00 1.00 O ATOM 0 H GLU A 129 5.906 3.400 -8.805 1.00 1.00 H new ATOM 0 HA GLU A 129 7.801 5.164 -7.685 1.00 1.00 H new ATOM 0 HB2 GLU A 129 4.973 4.316 -7.199 1.00 1.00 H new ATOM 0 HB3 GLU A 129 5.794 4.957 -5.790 1.00 1.00 H new ATOM 0 HG2 GLU A 129 4.720 6.821 -6.954 1.00 1.00 H new ATOM 0 HG3 GLU A 129 6.454 6.996 -7.136 1.00 1.00 H new ATOM 2015 N VAL A 130 7.350 2.344 -6.021 1.00 1.00 N ATOM 2016 CA VAL A 130 7.947 1.516 -4.983 1.00 1.00 C ATOM 2017 C VAL A 130 9.386 1.159 -5.356 1.00 1.00 C ATOM 2018 O VAL A 130 10.289 1.230 -4.528 1.00 1.00 O ATOM 2019 CB VAL A 130 7.111 0.247 -4.797 1.00 1.00 C ATOM 2020 CG1 VAL A 130 7.797 -0.680 -3.795 1.00 1.00 C ATOM 2021 CG2 VAL A 130 5.726 0.629 -4.271 1.00 1.00 C ATOM 0 H VAL A 130 6.565 1.917 -6.513 1.00 1.00 H new ATOM 0 HA VAL A 130 7.964 2.070 -4.045 1.00 1.00 H new ATOM 0 HB VAL A 130 7.013 -0.267 -5.753 1.00 1.00 H new ATOM 0 HG11 VAL A 130 7.199 -1.582 -3.665 1.00 1.00 H new ATOM 0 HG12 VAL A 130 8.785 -0.950 -4.167 1.00 1.00 H new ATOM 0 HG13 VAL A 130 7.897 -0.170 -2.837 1.00 1.00 H new ATOM 0 HG21 VAL A 130 5.127 -0.271 -4.137 1.00 1.00 H new ATOM 0 HG22 VAL A 130 5.829 1.142 -3.315 1.00 1.00 H new ATOM 0 HG23 VAL A 130 5.234 1.289 -4.986 1.00 1.00 H new ATOM 2031 N ALA A 131 9.577 0.750 -6.606 1.00 1.00 N ATOM 2032 CA ALA A 131 10.899 0.354 -7.090 1.00 1.00 C ATOM 2033 C ALA A 131 11.958 1.422 -6.804 1.00 1.00 C ATOM 2034 O ALA A 131 13.038 1.110 -6.302 1.00 1.00 O ATOM 2035 CB ALA A 131 10.844 0.095 -8.596 1.00 1.00 C ATOM 0 H ALA A 131 8.835 0.683 -7.303 1.00 1.00 H new ATOM 0 HA ALA A 131 11.181 -0.555 -6.559 1.00 1.00 H new ATOM 0 HB1 ALA A 131 11.832 -0.200 -8.951 1.00 1.00 H new ATOM 0 HB2 ALA A 131 10.131 -0.704 -8.802 1.00 1.00 H new ATOM 0 HB3 ALA A 131 10.530 1.003 -9.110 1.00 1.00 H new ATOM 2041 N ARG A 132 11.655 2.677 -7.123 1.00 1.00 N ATOM 2042 CA ARG A 132 12.608 3.762 -6.891 1.00 1.00 C ATOM 2043 C ARG A 132 12.633 4.164 -5.417 1.00 1.00 C ATOM 2044 O ARG A 132 13.557 4.835 -4.961 1.00 1.00 O ATOM 2045 CB ARG A 132 12.250 4.975 -7.754 1.00 1.00 C ATOM 2046 CG ARG A 132 12.524 4.652 -9.226 1.00 1.00 C ATOM 2047 CD ARG A 132 12.189 5.869 -10.093 1.00 1.00 C ATOM 2048 NE ARG A 132 10.751 6.124 -10.077 1.00 1.00 N ATOM 2049 CZ ARG A 132 9.931 5.489 -10.910 1.00 1.00 C ATOM 2050 NH1 ARG A 132 10.408 4.634 -11.774 1.00 1.00 N ATOM 2051 NH2 ARG A 132 8.649 5.727 -10.868 1.00 1.00 N ATOM 0 H ARG A 132 10.769 2.967 -7.538 1.00 1.00 H new ATOM 0 HA ARG A 132 13.600 3.404 -7.168 1.00 1.00 H new ATOM 0 HB2 ARG A 132 11.201 5.235 -7.617 1.00 1.00 H new ATOM 0 HB3 ARG A 132 12.836 5.840 -7.445 1.00 1.00 H new ATOM 0 HG2 ARG A 132 13.570 4.376 -9.359 1.00 1.00 H new ATOM 0 HG3 ARG A 132 11.926 3.796 -9.538 1.00 1.00 H new ATOM 0 HD2 ARG A 132 12.724 6.744 -9.725 1.00 1.00 H new ATOM 0 HD3 ARG A 132 12.523 5.698 -11.116 1.00 1.00 H new ATOM 0 HE ARG A 132 10.369 6.800 -9.416 1.00 1.00 H new ATOM 0 HH11 ARG A 132 11.411 4.452 -11.811 1.00 1.00 H new ATOM 0 HH12 ARG A 132 9.778 4.148 -12.412 1.00 1.00 H new ATOM 0 HH21 ARG A 132 8.277 6.399 -10.197 1.00 1.00 H new ATOM 0 HH22 ARG A 132 8.019 5.241 -11.506 1.00 1.00 H new ATOM 2065 N ALA A 133 11.605 3.755 -4.684 1.00 1.00 N ATOM 2066 CA ALA A 133 11.503 4.084 -3.265 1.00 1.00 C ATOM 2067 C ALA A 133 12.677 3.513 -2.470 1.00 1.00 C ATOM 2068 O ALA A 133 12.959 3.967 -1.360 1.00 1.00 O ATOM 2069 CB ALA A 133 10.189 3.545 -2.703 1.00 1.00 C ATOM 0 H ALA A 133 10.832 3.197 -5.046 1.00 1.00 H new ATOM 0 HA ALA A 133 11.529 5.170 -3.170 1.00 1.00 H new ATOM 0 HB1 ALA A 133 10.117 3.793 -1.644 1.00 1.00 H new ATOM 0 HB2 ALA A 133 9.353 3.995 -3.238 1.00 1.00 H new ATOM 0 HB3 ALA A 133 10.158 2.462 -2.825 1.00 1.00 H new ATOM 2075 N CYS A 134 13.376 2.534 -3.042 1.00 1.00 N ATOM 2076 CA CYS A 134 14.527 1.950 -2.354 1.00 1.00 C ATOM 2077 C CYS A 134 15.163 0.810 -3.165 1.00 1.00 C ATOM 2078 O CYS A 134 16.375 0.811 -3.383 1.00 1.00 O ATOM 2079 CB CYS A 134 14.113 1.464 -0.938 1.00 1.00 C ATOM 2080 SG CYS A 134 14.927 2.465 0.336 1.00 1.00 S ATOM 0 H CYS A 134 13.173 2.135 -3.959 1.00 1.00 H new ATOM 0 HA CYS A 134 15.285 2.727 -2.252 1.00 1.00 H new ATOM 0 HB2 CYS A 134 13.031 1.530 -0.826 1.00 1.00 H new ATOM 0 HB3 CYS A 134 14.383 0.415 -0.813 1.00 1.00 H new ATOM 0 HG CYS A 134 14.460 3.678 0.299 1.00 1.00 H new ATOM 2086 N PRO A 135 14.393 -0.156 -3.601 1.00 1.00 N ATOM 2087 CA PRO A 135 14.936 -1.308 -4.384 1.00 1.00 C ATOM 2088 C PRO A 135 15.762 -0.861 -5.588 1.00 1.00 C ATOM 2089 O PRO A 135 16.861 -1.361 -5.811 1.00 1.00 O ATOM 2090 CB PRO A 135 13.679 -2.076 -4.827 1.00 1.00 C ATOM 2091 CG PRO A 135 12.628 -1.701 -3.834 1.00 1.00 C ATOM 2092 CD PRO A 135 12.939 -0.265 -3.410 1.00 1.00 C ATOM 0 HA PRO A 135 15.622 -1.913 -3.791 1.00 1.00 H new ATOM 0 HB2 PRO A 135 13.383 -1.799 -5.839 1.00 1.00 H new ATOM 0 HB3 PRO A 135 13.854 -3.152 -4.829 1.00 1.00 H new ATOM 0 HG2 PRO A 135 11.633 -1.771 -4.274 1.00 1.00 H new ATOM 0 HG3 PRO A 135 12.645 -2.373 -2.976 1.00 1.00 H new ATOM 0 HD2 PRO A 135 12.399 0.459 -4.020 1.00 1.00 H new ATOM 0 HD3 PRO A 135 12.656 -0.083 -2.373 1.00 1.00 H new ATOM 2232 N GLU A 145 14.751 0.937 6.941 1.00 1.00 N ATOM 2233 CA GLU A 145 14.300 2.039 7.796 1.00 1.00 C ATOM 2234 C GLU A 145 13.070 1.603 8.577 1.00 1.00 C ATOM 2235 O GLU A 145 12.273 0.797 8.095 1.00 1.00 O ATOM 2236 CB GLU A 145 13.967 3.276 6.955 1.00 1.00 C ATOM 2237 CG GLU A 145 13.033 2.886 5.808 1.00 1.00 C ATOM 2238 CD GLU A 145 13.821 2.172 4.717 1.00 1.00 C ATOM 2239 OE1 GLU A 145 14.966 2.535 4.505 1.00 1.00 O ATOM 2240 OE2 GLU A 145 13.269 1.270 4.108 1.00 1.00 O ATOM 0 HA GLU A 145 15.102 2.297 8.487 1.00 1.00 H new ATOM 0 HB2 GLU A 145 13.495 4.035 7.579 1.00 1.00 H new ATOM 0 HB3 GLU A 145 14.883 3.714 6.558 1.00 1.00 H new ATOM 0 HG2 GLU A 145 12.239 2.238 6.179 1.00 1.00 H new ATOM 0 HG3 GLU A 145 12.554 3.776 5.399 1.00 1.00 H new ATOM 2247 N PHE A 146 12.927 2.122 9.788 1.00 1.00 N ATOM 2248 CA PHE A 146 11.793 1.757 10.624 1.00 1.00 C ATOM 2249 C PHE A 146 11.723 2.644 11.864 1.00 1.00 C ATOM 2250 O PHE A 146 10.735 2.641 12.593 1.00 1.00 O ATOM 2251 CB PHE A 146 11.925 0.291 11.034 1.00 1.00 C ATOM 2252 CG PHE A 146 13.326 0.046 11.540 1.00 1.00 C ATOM 2253 CD1 PHE A 146 13.651 0.353 12.865 1.00 1.00 C ATOM 2254 CD2 PHE A 146 14.300 -0.482 10.685 1.00 1.00 C ATOM 2255 CE1 PHE A 146 14.950 0.134 13.335 1.00 1.00 C ATOM 2256 CE2 PHE A 146 15.599 -0.704 11.155 1.00 1.00 C ATOM 2257 CZ PHE A 146 15.924 -0.396 12.481 1.00 1.00 C ATOM 0 H PHE A 146 13.573 2.789 10.210 1.00 1.00 H new ATOM 0 HA PHE A 146 10.874 1.900 10.056 1.00 1.00 H new ATOM 0 HB2 PHE A 146 11.197 0.050 11.809 1.00 1.00 H new ATOM 0 HB3 PHE A 146 11.713 -0.358 10.184 1.00 1.00 H new ATOM 0 HD1 PHE A 146 12.899 0.759 13.525 1.00 1.00 H new ATOM 0 HD2 PHE A 146 14.049 -0.718 9.662 1.00 1.00 H new ATOM 0 HE1 PHE A 146 15.202 0.374 14.357 1.00 1.00 H new ATOM 0 HE2 PHE A 146 16.350 -1.113 10.495 1.00 1.00 H new ATOM 0 HZ PHE A 146 16.926 -0.567 12.845 1.00 1.00 H new ATOM 2267 N GLU A 147 12.795 3.381 12.110 1.00 1.00 N ATOM 2268 CA GLU A 147 12.864 4.252 13.279 1.00 1.00 C ATOM 2269 C GLU A 147 11.854 5.392 13.214 1.00 1.00 C ATOM 2270 O GLU A 147 11.296 5.789 14.237 1.00 1.00 O ATOM 2271 CB GLU A 147 14.266 4.832 13.399 1.00 1.00 C ATOM 2272 CG GLU A 147 15.230 3.714 13.773 1.00 1.00 C ATOM 2273 CD GLU A 147 16.657 4.249 13.818 1.00 1.00 C ATOM 2274 OE1 GLU A 147 16.831 5.434 13.584 1.00 1.00 O ATOM 2275 OE2 GLU A 147 17.552 3.466 14.087 1.00 1.00 O ATOM 0 H GLU A 147 13.627 3.396 11.520 1.00 1.00 H new ATOM 0 HA GLU A 147 12.623 3.645 14.152 1.00 1.00 H new ATOM 0 HB2 GLU A 147 14.567 5.290 12.457 1.00 1.00 H new ATOM 0 HB3 GLU A 147 14.286 5.616 14.155 1.00 1.00 H new ATOM 0 HG2 GLU A 147 14.958 3.298 14.743 1.00 1.00 H new ATOM 0 HG3 GLU A 147 15.159 2.904 13.047 1.00 1.00 H new ATOM 2282 N TRP A 148 11.633 5.934 12.022 1.00 1.00 N ATOM 2283 CA TRP A 148 10.699 7.045 11.875 1.00 1.00 C ATOM 2284 C TRP A 148 9.246 6.561 11.940 1.00 1.00 C ATOM 2285 O TRP A 148 8.341 7.348 12.213 1.00 1.00 O ATOM 2286 CB TRP A 148 10.964 7.812 10.573 1.00 1.00 C ATOM 2287 CG TRP A 148 10.758 6.927 9.391 1.00 1.00 C ATOM 2288 CD1 TRP A 148 11.581 5.922 9.014 1.00 1.00 C ATOM 2289 CD2 TRP A 148 9.683 6.969 8.410 1.00 1.00 C ATOM 2290 NE1 TRP A 148 11.067 5.331 7.874 1.00 1.00 N ATOM 2291 CE2 TRP A 148 9.900 5.941 7.463 1.00 1.00 C ATOM 2292 CE3 TRP A 148 8.549 7.784 8.254 1.00 1.00 C ATOM 2293 CZ2 TRP A 148 9.024 5.729 6.401 1.00 1.00 C ATOM 2294 CZ3 TRP A 148 7.664 7.575 7.185 1.00 1.00 C ATOM 2295 CH2 TRP A 148 7.900 6.547 6.262 1.00 1.00 C ATOM 0 H TRP A 148 12.079 5.629 11.157 1.00 1.00 H new ATOM 0 HA TRP A 148 10.859 7.728 12.709 1.00 1.00 H new ATOM 0 HB2 TRP A 148 10.298 8.673 10.510 1.00 1.00 H new ATOM 0 HB3 TRP A 148 11.984 8.197 10.573 1.00 1.00 H new ATOM 0 HD1 TRP A 148 12.489 5.629 9.520 1.00 1.00 H new ATOM 0 HE1 TRP A 148 11.498 4.540 7.395 1.00 1.00 H new ATOM 0 HE3 TRP A 148 8.357 8.577 8.962 1.00 1.00 H new ATOM 0 HZ2 TRP A 148 9.212 4.938 5.690 1.00 1.00 H new ATOM 0 HZ3 TRP A 148 6.797 8.209 7.073 1.00 1.00 H new ATOM 0 HH2 TRP A 148 7.213 6.387 5.444 1.00 1.00 H new ATOM 2306 N LEU A 149 9.027 5.264 11.712 1.00 1.00 N ATOM 2307 CA LEU A 149 7.672 4.710 11.772 1.00 1.00 C ATOM 2308 C LEU A 149 7.095 4.882 13.176 1.00 1.00 C ATOM 2309 O LEU A 149 5.906 5.162 13.330 1.00 1.00 O ATOM 2310 CB LEU A 149 7.672 3.213 11.390 1.00 1.00 C ATOM 2311 CG LEU A 149 7.527 3.053 9.874 1.00 1.00 C ATOM 2312 CD1 LEU A 149 8.602 3.875 9.166 1.00 1.00 C ATOM 2313 CD2 LEU A 149 7.680 1.575 9.508 1.00 1.00 C ATOM 0 H LEU A 149 9.757 4.587 11.488 1.00 1.00 H new ATOM 0 HA LEU A 149 7.052 5.252 11.057 1.00 1.00 H new ATOM 0 HB2 LEU A 149 8.597 2.745 11.725 1.00 1.00 H new ATOM 0 HB3 LEU A 149 6.854 2.701 11.897 1.00 1.00 H new ATOM 0 HG LEU A 149 6.545 3.406 9.560 1.00 1.00 H new ATOM 0 HD11 LEU A 149 8.497 3.760 8.087 1.00 1.00 H new ATOM 0 HD12 LEU A 149 8.490 4.926 9.431 1.00 1.00 H new ATOM 0 HD13 LEU A 149 9.588 3.527 9.474 1.00 1.00 H new ATOM 0 HD21 LEU A 149 7.578 1.455 8.429 1.00 1.00 H new ATOM 0 HD22 LEU A 149 8.663 1.223 9.821 1.00 1.00 H new ATOM 0 HD23 LEU A 149 6.909 0.993 10.013 1.00 1.00 H new ATOM 2325 N SER A 150 7.928 4.710 14.199 1.00 1.00 N ATOM 2326 CA SER A 150 7.453 4.845 15.573 1.00 1.00 C ATOM 2327 C SER A 150 6.859 6.229 15.819 1.00 1.00 C ATOM 2328 O SER A 150 5.722 6.354 16.275 1.00 1.00 O ATOM 2329 CB SER A 150 8.618 4.641 16.534 1.00 1.00 C ATOM 2330 OG SER A 150 9.605 5.635 16.280 1.00 1.00 O ATOM 0 H SER A 150 8.918 4.481 14.107 1.00 1.00 H new ATOM 0 HA SER A 150 6.680 4.094 15.738 1.00 1.00 H new ATOM 0 HB2 SER A 150 8.272 4.708 17.565 1.00 1.00 H new ATOM 0 HB3 SER A 150 9.043 3.646 16.405 1.00 1.00 H new ATOM 0 HG SER A 150 10.130 5.381 15.492 1.00 1.00 H new ATOM 2336 N ARG A 151 7.633 7.265 15.518 1.00 1.00 N ATOM 2337 CA ARG A 151 7.176 8.636 15.722 1.00 1.00 C ATOM 2338 C ARG A 151 6.271 9.065 14.577 1.00 1.00 C ATOM 2339 O ARG A 151 6.251 10.233 14.186 1.00 1.00 O ATOM 2340 CB ARG A 151 8.379 9.571 15.816 1.00 1.00 C ATOM 2341 CG ARG A 151 9.278 9.362 14.598 1.00 1.00 C ATOM 2342 CD ARG A 151 10.461 10.320 14.669 1.00 1.00 C ATOM 2343 NE ARG A 151 11.322 9.972 15.793 1.00 1.00 N ATOM 2344 CZ ARG A 151 12.370 10.720 16.111 1.00 1.00 C ATOM 2345 NH1 ARG A 151 12.638 11.793 15.417 1.00 1.00 N ATOM 2346 NH2 ARG A 151 13.132 10.385 17.116 1.00 1.00 N ATOM 0 H ARG A 151 8.575 7.184 15.134 1.00 1.00 H new ATOM 0 HA ARG A 151 6.609 8.686 16.652 1.00 1.00 H new ATOM 0 HB2 ARG A 151 8.046 10.608 15.862 1.00 1.00 H new ATOM 0 HB3 ARG A 151 8.936 9.374 16.732 1.00 1.00 H new ATOM 0 HG2 ARG A 151 9.632 8.332 14.567 1.00 1.00 H new ATOM 0 HG3 ARG A 151 8.713 9.533 13.682 1.00 1.00 H new ATOM 0 HD2 ARG A 151 11.029 10.278 13.740 1.00 1.00 H new ATOM 0 HD3 ARG A 151 10.104 11.344 14.778 1.00 1.00 H new ATOM 0 HE ARG A 151 11.115 9.139 16.344 1.00 1.00 H new ATOM 0 HH11 ARG A 151 12.042 12.055 14.632 1.00 1.00 H new ATOM 0 HH12 ARG A 151 13.444 12.370 15.660 1.00 1.00 H new ATOM 0 HH21 ARG A 151 12.922 9.547 17.658 1.00 1.00 H new ATOM 0 HH22 ARG A 151 13.938 10.961 17.359 1.00 1.00 H new ATOM 2360 N HIS A 152 5.528 8.101 14.042 1.00 1.00 N ATOM 2361 CA HIS A 152 4.614 8.350 12.930 1.00 1.00 C ATOM 2362 C HIS A 152 3.192 8.002 13.350 1.00 1.00 C ATOM 2363 O HIS A 152 2.225 8.413 12.709 1.00 1.00 O ATOM 2364 CB HIS A 152 5.053 7.484 11.727 1.00 1.00 C ATOM 2365 CG HIS A 152 5.156 8.321 10.481 1.00 1.00 C ATOM 2366 ND1 HIS A 152 4.197 8.290 9.480 1.00 1.00 N ATOM 2367 CD2 HIS A 152 6.097 9.226 10.075 1.00 1.00 C ATOM 2368 CE1 HIS A 152 4.584 9.158 8.528 1.00 1.00 C ATOM 2369 NE2 HIS A 152 5.736 9.759 8.842 1.00 1.00 N ATOM 0 H HIS A 152 5.541 7.133 14.363 1.00 1.00 H new ATOM 0 HA HIS A 152 4.640 9.402 12.646 1.00 1.00 H new ATOM 0 HB2 HIS A 152 6.015 7.018 11.939 1.00 1.00 H new ATOM 0 HB3 HIS A 152 4.336 6.678 11.572 1.00 1.00 H new ATOM 0 HD2 HIS A 152 6.987 9.488 10.628 1.00 1.00 H new ATOM 0 HE1 HIS A 152 4.031 9.347 7.620 1.00 1.00 H new ATOM 0 HE2 HIS A 152 6.241 10.457 8.296 1.00 1.00 H new ATOM 2377 N THR A 153 3.081 7.251 14.441 1.00 1.00 N ATOM 2378 CA THR A 153 1.780 6.854 14.952 1.00 1.00 C ATOM 2379 C THR A 153 0.921 6.266 13.839 1.00 1.00 C ATOM 2380 O THR A 153 1.301 6.277 12.668 1.00 1.00 O ATOM 2381 CB THR A 153 1.084 8.071 15.568 1.00 1.00 C ATOM 2382 OG1 THR A 153 1.958 8.681 16.508 1.00 1.00 O ATOM 2383 CG2 THR A 153 -0.210 7.645 16.274 1.00 1.00 C ATOM 0 H THR A 153 3.874 6.908 14.984 1.00 1.00 H new ATOM 0 HA THR A 153 1.918 6.088 15.715 1.00 1.00 H new ATOM 0 HB THR A 153 0.835 8.778 14.777 1.00 1.00 H new ATOM 0 HG1 THR A 153 1.518 9.462 16.905 1.00 1.00 H new ATOM 0 HG21 THR A 153 -0.694 8.521 16.707 1.00 1.00 H new ATOM 0 HG22 THR A 153 -0.882 7.179 15.553 1.00 1.00 H new ATOM 0 HG23 THR A 153 0.025 6.932 17.065 1.00 1.00 H new ATOM 2391 N CYS A 154 -0.239 5.747 14.212 1.00 1.00 N ATOM 2392 CA CYS A 154 -1.149 5.157 13.242 1.00 1.00 C ATOM 2393 C CYS A 154 -2.578 5.217 13.762 1.00 1.00 C ATOM 2394 O CYS A 154 -2.806 5.322 14.968 1.00 1.00 O ATOM 2395 CB CYS A 154 -0.757 3.703 12.972 1.00 1.00 C ATOM 2396 SG CYS A 154 -0.688 2.798 14.537 1.00 1.00 S ATOM 0 H CYS A 154 -0.572 5.722 15.176 1.00 1.00 H new ATOM 0 HA CYS A 154 -1.085 5.722 12.312 1.00 1.00 H new ATOM 0 HB2 CYS A 154 -1.480 3.238 12.302 1.00 1.00 H new ATOM 0 HB3 CYS A 154 0.211 3.663 12.473 1.00 1.00 H new ATOM 0 HG CYS A 154 -0.357 1.562 14.309 1.00 1.00 H new