USER MOD reduce.3.24.130724 H: found=0, std=0, add=561, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 561 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj : A 24 ASNHD21 : A 24 ASN OD1 : A 76 CACA :(metal ligand) USER MOD NoAdj : A 24 ASNHD22 : A 24 ASN OD1 : A 76 CACA :(metal ligand) USER MOD Set 1.1: A 51 MET CE :methyl -163:sc= -0.105 (180deg=-0.511) USER MOD Set 1.2: A 71 HIS : no HD1:sc= -0.757 K(o=-0.86,f=-1.4) USER MOD Single : A 1 SER N :NH3+ 160:sc=-0.00317 (180deg=-0.211) USER MOD Single : A 1 SER OG : rot 180:sc= 0.0336 USER MOD Single : A 3 MET CE :methyl -164:sc= -0.0549 (180deg=-0.387) USER MOD Single : A 4 LYS NZ :NH3+ -147:sc= 1.14 (180deg=0.458) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 27:sc= 0.73 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 82:sc= 0.537 USER MOD Single : A 34 HIS : no HD1:sc= -0.302 X(o=-0.3,f=0) USER MOD Single : A 36 MET CE :methyl 171:sc= -0.0115 (180deg=-0.16) USER MOD Single : A 37 THR OG1 : rot 90:sc= 0.814 USER MOD Single : A 38 ASN :FLIP amide:sc= 0 F(o=-0.73,f=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.115 USER MOD Single : A 62 GLN :FLIP amide:sc= -0.0115 F(o=-0.99,f=-0.011) USER MOD Single : A 64 ASN : amide:sc= -0.7 K(o=-0.7,f=-1.7) USER MOD Single : A 65 TYR OH : rot -19:sc= 0.488 USER MOD Single : A 70 GLN : amide:sc= -0.332 X(o=-0.33,f=-0.076) USER MOD Single : A 72 MET CE :methyl -118:sc= 0 (180deg=-0.00916) USER MOD Single : A 73 THR OG1 : rot -76:sc= 1.03 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 12.205 20.041 11.464 1.00 0.00 N ATOM 2 CA SER A 1 11.915 20.584 10.114 1.00 0.00 C ATOM 3 C SER A 1 11.824 19.455 9.078 1.00 0.00 C ATOM 4 O SER A 1 12.117 19.647 7.893 1.00 0.00 O ATOM 5 CB SER A 1 13.006 21.585 9.726 1.00 0.00 C ATOM 6 OG SER A 1 13.178 22.566 10.739 1.00 0.00 O ATOM 0 H1 SER A 1 12.591 20.796 12.066 1.00 0.00 H new ATOM 0 H2 SER A 1 11.328 19.676 11.887 1.00 0.00 H new ATOM 0 H3 SER A 1 12.899 19.270 11.387 1.00 0.00 H new ATOM 0 HA SER A 1 10.951 21.092 10.135 1.00 0.00 H new ATOM 0 HB2 SER A 1 13.946 21.058 9.561 1.00 0.00 H new ATOM 0 HB3 SER A 1 12.743 22.070 8.786 1.00 0.00 H new ATOM 0 HG SER A 1 13.881 23.194 10.470 1.00 0.00 H new ATOM 14 N LEU A 2 11.359 18.292 9.524 1.00 0.00 N ATOM 15 CA LEU A 2 11.281 17.107 8.674 1.00 0.00 C ATOM 16 C LEU A 2 9.833 16.783 8.296 1.00 0.00 C ATOM 17 O LEU A 2 9.561 15.733 7.717 1.00 0.00 O ATOM 18 CB LEU A 2 11.918 15.904 9.389 1.00 0.00 C ATOM 19 CG LEU A 2 13.392 16.062 9.781 1.00 0.00 C ATOM 20 CD1 LEU A 2 13.850 14.862 10.593 1.00 0.00 C ATOM 21 CD2 LEU A 2 14.269 16.229 8.545 1.00 0.00 C ATOM 0 H LEU A 2 11.028 18.144 10.477 1.00 0.00 H new ATOM 0 HA LEU A 2 11.830 17.317 7.756 1.00 0.00 H new ATOM 0 HB2 LEU A 2 11.343 15.695 10.291 1.00 0.00 H new ATOM 0 HB3 LEU A 2 11.825 15.031 8.743 1.00 0.00 H new ATOM 0 HG LEU A 2 13.489 16.960 10.391 1.00 0.00 H new ATOM 0 HD11 LEU A 2 14.898 14.986 10.865 1.00 0.00 H new ATOM 0 HD12 LEU A 2 13.247 14.783 11.497 1.00 0.00 H new ATOM 0 HD13 LEU A 2 13.734 13.955 9.999 1.00 0.00 H new ATOM 0 HD21 LEU A 2 15.310 16.339 8.850 1.00 0.00 H new ATOM 0 HD22 LEU A 2 14.169 15.351 7.906 1.00 0.00 H new ATOM 0 HD23 LEU A 2 13.956 17.116 7.994 1.00 0.00 H new ATOM 33 N MET A 3 8.909 17.693 8.604 1.00 0.00 N ATOM 34 CA MET A 3 7.490 17.480 8.313 1.00 0.00 C ATOM 35 C MET A 3 7.130 17.880 6.887 1.00 0.00 C ATOM 36 O MET A 3 6.135 17.392 6.355 1.00 0.00 O ATOM 37 CB MET A 3 6.610 18.247 9.297 1.00 0.00 C ATOM 38 CG MET A 3 6.575 17.646 10.690 1.00 0.00 C ATOM 39 SD MET A 3 5.935 15.957 10.698 1.00 0.00 S ATOM 40 CE MET A 3 4.247 16.212 10.139 1.00 0.00 C ATOM 0 H MET A 3 9.117 18.584 9.055 1.00 0.00 H new ATOM 0 HA MET A 3 7.306 16.411 8.421 1.00 0.00 H new ATOM 0 HB2 MET A 3 6.968 19.274 9.364 1.00 0.00 H new ATOM 0 HB3 MET A 3 5.594 18.288 8.904 1.00 0.00 H new ATOM 0 HG2 MET A 3 7.581 17.652 11.110 1.00 0.00 H new ATOM 0 HG3 MET A 3 5.956 18.269 11.336 1.00 0.00 H new ATOM 0 HE1 MET A 3 3.652 15.326 10.361 1.00 0.00 H new ATOM 0 HE2 MET A 3 3.820 17.074 10.652 1.00 0.00 H new ATOM 0 HE3 MET A 3 4.243 16.391 9.064 1.00 0.00 H new ATOM 50 N LYS A 4 7.941 18.802 6.306 1.00 0.00 N ATOM 51 CA LYS A 4 7.890 19.253 4.882 1.00 0.00 C ATOM 52 C LYS A 4 6.781 20.283 4.616 1.00 0.00 C ATOM 53 O LYS A 4 6.983 21.207 3.817 1.00 0.00 O ATOM 54 CB LYS A 4 7.774 18.074 3.896 1.00 0.00 C ATOM 55 CG LYS A 4 8.872 17.043 4.056 1.00 0.00 C ATOM 56 CD LYS A 4 8.323 15.641 3.861 1.00 0.00 C ATOM 57 CE LYS A 4 9.252 14.598 4.451 1.00 0.00 C ATOM 58 NZ LYS A 4 8.636 13.251 4.437 1.00 0.00 N ATOM 0 H LYS A 4 8.677 19.272 6.833 1.00 0.00 H new ATOM 0 HA LYS A 4 8.845 19.749 4.707 1.00 0.00 H new ATOM 0 HB2 LYS A 4 6.808 17.589 4.034 1.00 0.00 H new ATOM 0 HB3 LYS A 4 7.794 18.460 2.877 1.00 0.00 H new ATOM 0 HG2 LYS A 4 9.664 17.233 3.332 1.00 0.00 H new ATOM 0 HG3 LYS A 4 9.318 17.130 5.047 1.00 0.00 H new ATOM 0 HD2 LYS A 4 7.342 15.564 4.330 1.00 0.00 H new ATOM 0 HD3 LYS A 4 8.184 15.447 2.797 1.00 0.00 H new ATOM 0 HE2 LYS A 4 10.184 14.579 3.886 1.00 0.00 H new ATOM 0 HE3 LYS A 4 9.505 14.873 5.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 8.961 12.712 5.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 7.601 13.342 4.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 8.913 12.752 3.568 1.00 0.00 H new ATOM 72 N ASP A 5 5.619 20.095 5.273 1.00 0.00 N ATOM 73 CA ASP A 5 4.423 20.966 5.158 1.00 0.00 C ATOM 74 C ASP A 5 3.845 20.970 3.746 1.00 0.00 C ATOM 75 O ASP A 5 3.293 21.972 3.288 1.00 0.00 O ATOM 76 CB ASP A 5 4.703 22.409 5.608 1.00 0.00 C ATOM 77 CG ASP A 5 4.920 22.523 7.093 1.00 0.00 C ATOM 78 OD1 ASP A 5 4.017 22.134 7.855 1.00 0.00 O ATOM 79 OD2 ASP A 5 5.992 23.003 7.506 1.00 0.00 O ATOM 0 H ASP A 5 5.479 19.315 5.915 1.00 0.00 H new ATOM 0 HA ASP A 5 3.683 20.535 5.833 1.00 0.00 H new ATOM 0 HB2 ASP A 5 5.584 22.783 5.087 1.00 0.00 H new ATOM 0 HB3 ASP A 5 3.867 23.045 5.317 1.00 0.00 H new ATOM 84 N THR A 6 3.943 19.832 3.073 1.00 0.00 N ATOM 85 CA THR A 6 3.427 19.676 1.724 1.00 0.00 C ATOM 86 C THR A 6 2.270 18.667 1.743 1.00 0.00 C ATOM 87 O THR A 6 1.955 18.055 0.721 1.00 0.00 O ATOM 88 CB THR A 6 4.560 19.201 0.769 1.00 0.00 C ATOM 89 OG1 THR A 6 5.803 19.803 1.166 1.00 0.00 O ATOM 90 CG2 THR A 6 4.276 19.587 -0.679 1.00 0.00 C ATOM 0 H THR A 6 4.383 18.992 3.449 1.00 0.00 H new ATOM 0 HA THR A 6 3.058 20.634 1.357 1.00 0.00 H new ATOM 0 HB THR A 6 4.615 18.114 0.835 1.00 0.00 H new ATOM 0 HG1 THR A 6 6.518 19.503 0.566 1.00 0.00 H new ATOM 0 HG21 THR A 6 5.090 19.238 -1.315 1.00 0.00 H new ATOM 0 HG22 THR A 6 3.341 19.128 -1.001 1.00 0.00 H new ATOM 0 HG23 THR A 6 4.194 20.671 -0.757 1.00 0.00 H new ATOM 98 N ASP A 7 1.610 18.563 2.921 1.00 0.00 N ATOM 99 CA ASP A 7 0.615 17.518 3.222 1.00 0.00 C ATOM 100 C ASP A 7 -0.623 17.613 2.325 1.00 0.00 C ATOM 101 O ASP A 7 -1.573 18.351 2.595 1.00 0.00 O ATOM 102 CB ASP A 7 0.210 17.565 4.698 1.00 0.00 C ATOM 103 CG ASP A 7 -0.571 16.332 5.123 1.00 0.00 C ATOM 104 OD1 ASP A 7 0.060 15.284 5.389 1.00 0.00 O ATOM 105 OD2 ASP A 7 -1.811 16.413 5.228 1.00 0.00 O ATOM 0 H ASP A 7 1.758 19.212 3.694 1.00 0.00 H new ATOM 0 HA ASP A 7 1.090 16.560 3.014 1.00 0.00 H new ATOM 0 HB2 ASP A 7 1.104 17.656 5.315 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -0.394 18.454 4.878 1.00 0.00 H new ATOM 110 N SER A 8 -0.539 16.849 1.250 1.00 0.00 N ATOM 111 CA SER A 8 -1.524 16.739 0.177 1.00 0.00 C ATOM 112 C SER A 8 -1.100 15.552 -0.673 1.00 0.00 C ATOM 113 O SER A 8 -0.166 14.848 -0.291 1.00 0.00 O ATOM 114 CB SER A 8 -1.580 18.001 -0.715 1.00 0.00 C ATOM 115 OG SER A 8 -2.263 19.069 -0.084 1.00 0.00 O ATOM 0 H SER A 8 0.269 16.248 1.089 1.00 0.00 H new ATOM 0 HA SER A 8 -2.517 16.619 0.611 1.00 0.00 H new ATOM 0 HB2 SER A 8 -0.566 18.315 -0.962 1.00 0.00 H new ATOM 0 HB3 SER A 8 -2.076 17.759 -1.655 1.00 0.00 H new ATOM 0 HG SER A 8 -2.188 18.976 0.889 1.00 0.00 H new ATOM 121 N GLU A 9 -1.735 15.380 -1.839 1.00 0.00 N ATOM 122 CA GLU A 9 -1.492 14.246 -2.750 1.00 0.00 C ATOM 123 C GLU A 9 -0.014 14.135 -3.182 1.00 0.00 C ATOM 124 O GLU A 9 0.494 13.032 -3.380 1.00 0.00 O ATOM 125 CB GLU A 9 -2.353 14.373 -4.025 1.00 0.00 C ATOM 126 CG GLU A 9 -3.848 14.604 -3.806 1.00 0.00 C ATOM 127 CD GLU A 9 -4.217 16.066 -3.618 1.00 0.00 C ATOM 128 OE1 GLU A 9 -4.322 16.790 -4.625 1.00 0.00 O ATOM 129 OE2 GLU A 9 -4.378 16.496 -2.464 1.00 0.00 O ATOM 0 H GLU A 9 -2.441 16.030 -2.184 1.00 0.00 H new ATOM 0 HA GLU A 9 -1.762 13.351 -2.189 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -1.962 15.197 -4.622 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -2.229 13.465 -4.615 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -4.397 14.206 -4.659 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -4.169 14.041 -2.930 1.00 0.00 H new ATOM 136 N GLU A 10 0.660 15.286 -3.293 1.00 0.00 N ATOM 137 CA GLU A 10 2.055 15.369 -3.750 1.00 0.00 C ATOM 138 C GLU A 10 3.068 14.840 -2.718 1.00 0.00 C ATOM 139 O GLU A 10 4.105 14.296 -3.093 1.00 0.00 O ATOM 140 CB GLU A 10 2.390 16.813 -4.105 1.00 0.00 C ATOM 141 CG GLU A 10 1.584 17.350 -5.276 1.00 0.00 C ATOM 142 CD GLU A 10 1.879 18.806 -5.550 1.00 0.00 C ATOM 143 OE1 GLU A 10 2.968 19.103 -6.070 1.00 0.00 O ATOM 144 OE2 GLU A 10 1.034 19.660 -5.232 1.00 0.00 O ATOM 0 H GLU A 10 0.251 16.193 -3.067 1.00 0.00 H new ATOM 0 HA GLU A 10 2.138 14.727 -4.627 1.00 0.00 H new ATOM 0 HB2 GLU A 10 2.215 17.444 -3.233 1.00 0.00 H new ATOM 0 HB3 GLU A 10 3.452 16.884 -4.341 1.00 0.00 H new ATOM 0 HG2 GLU A 10 1.805 16.762 -6.167 1.00 0.00 H new ATOM 0 HG3 GLU A 10 0.521 17.229 -5.069 1.00 0.00 H new ATOM 151 N GLU A 11 2.765 14.990 -1.425 1.00 0.00 N ATOM 152 CA GLU A 11 3.639 14.471 -0.367 1.00 0.00 C ATOM 153 C GLU A 11 3.329 12.984 -0.101 1.00 0.00 C ATOM 154 O GLU A 11 4.187 12.228 0.368 1.00 0.00 O ATOM 155 CB GLU A 11 3.482 15.305 0.909 1.00 0.00 C ATOM 156 CG GLU A 11 4.564 15.063 1.953 1.00 0.00 C ATOM 157 CD GLU A 11 4.274 15.755 3.265 1.00 0.00 C ATOM 158 OE1 GLU A 11 4.671 16.921 3.436 1.00 0.00 O ATOM 159 OE2 GLU A 11 3.652 15.123 4.136 1.00 0.00 O ATOM 0 H GLU A 11 1.927 15.463 -1.087 1.00 0.00 H new ATOM 0 HA GLU A 11 4.676 14.547 -0.695 1.00 0.00 H new ATOM 0 HB2 GLU A 11 3.482 16.361 0.641 1.00 0.00 H new ATOM 0 HB3 GLU A 11 2.510 15.089 1.353 1.00 0.00 H new ATOM 0 HG2 GLU A 11 4.663 13.991 2.126 1.00 0.00 H new ATOM 0 HG3 GLU A 11 5.521 15.413 1.566 1.00 0.00 H new ATOM 166 N ILE A 12 2.103 12.570 -0.456 1.00 0.00 N ATOM 167 CA ILE A 12 1.690 11.157 -0.399 1.00 0.00 C ATOM 168 C ILE A 12 2.477 10.332 -1.442 1.00 0.00 C ATOM 169 O ILE A 12 2.715 9.143 -1.250 1.00 0.00 O ATOM 170 CB ILE A 12 0.149 11.003 -0.650 1.00 0.00 C ATOM 171 CG1 ILE A 12 -0.692 11.875 0.299 1.00 0.00 C ATOM 172 CG2 ILE A 12 -0.300 9.558 -0.533 1.00 0.00 C ATOM 173 CD1 ILE A 12 -0.453 11.644 1.779 1.00 0.00 C ATOM 0 H ILE A 12 1.373 13.200 -0.789 1.00 0.00 H new ATOM 0 HA ILE A 12 1.910 10.783 0.601 1.00 0.00 H new ATOM 0 HB ILE A 12 -0.018 11.347 -1.671 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -0.492 12.923 0.075 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -1.747 11.700 0.087 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -1.373 9.495 -0.714 1.00 0.00 H new ATOM 0 HG22 ILE A 12 0.228 8.952 -1.269 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -0.078 9.188 0.468 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -1.094 12.308 2.359 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -0.684 10.608 2.027 1.00 0.00 H new ATOM 0 HD13 ILE A 12 0.591 11.850 2.016 1.00 0.00 H new ATOM 185 N ARG A 13 2.911 11.005 -2.520 1.00 0.00 N ATOM 186 CA ARG A 13 3.730 10.401 -3.582 1.00 0.00 C ATOM 187 C ARG A 13 5.081 9.897 -3.067 1.00 0.00 C ATOM 188 O ARG A 13 5.566 8.865 -3.526 1.00 0.00 O ATOM 189 CB ARG A 13 3.980 11.409 -4.700 1.00 0.00 C ATOM 190 CG ARG A 13 2.725 11.837 -5.419 1.00 0.00 C ATOM 191 CD ARG A 13 2.998 12.915 -6.448 1.00 0.00 C ATOM 192 NE ARG A 13 1.785 13.262 -7.191 1.00 0.00 N ATOM 193 CZ ARG A 13 1.767 13.680 -8.460 1.00 0.00 C ATOM 194 NH1 ARG A 13 2.900 13.855 -9.127 1.00 0.00 N ATOM 195 NH2 ARG A 13 0.601 13.914 -9.060 1.00 0.00 N ATOM 0 H ARG A 13 2.702 11.990 -2.680 1.00 0.00 H new ATOM 0 HA ARG A 13 3.167 9.547 -3.957 1.00 0.00 H new ATOM 0 HB2 ARG A 13 4.467 12.290 -4.282 1.00 0.00 H new ATOM 0 HB3 ARG A 13 4.672 10.975 -5.422 1.00 0.00 H new ATOM 0 HG2 ARG A 13 2.276 10.973 -5.910 1.00 0.00 H new ATOM 0 HG3 ARG A 13 1.999 12.204 -4.693 1.00 0.00 H new ATOM 0 HD2 ARG A 13 3.390 13.803 -5.952 1.00 0.00 H new ATOM 0 HD3 ARG A 13 3.766 12.572 -7.141 1.00 0.00 H new ATOM 0 HE ARG A 13 0.891 13.179 -6.706 1.00 0.00 H new ATOM 0 HH11 ARG A 13 3.794 13.670 -8.671 1.00 0.00 H new ATOM 0 HH12 ARG A 13 2.878 14.174 -10.095 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -0.272 13.774 -8.551 1.00 0.00 H new ATOM 0 HH22 ARG A 13 0.581 14.233 -10.029 1.00 0.00 H new ATOM 209 N GLU A 14 5.674 10.621 -2.108 1.00 0.00 N ATOM 210 CA GLU A 14 6.950 10.226 -1.505 1.00 0.00 C ATOM 211 C GLU A 14 6.781 8.963 -0.658 1.00 0.00 C ATOM 212 O GLU A 14 7.608 8.045 -0.729 1.00 0.00 O ATOM 213 CB GLU A 14 7.517 11.362 -0.647 1.00 0.00 C ATOM 214 CG GLU A 14 8.892 11.045 -0.093 1.00 0.00 C ATOM 215 CD GLU A 14 9.442 12.121 0.805 1.00 0.00 C ATOM 216 OE1 GLU A 14 9.941 13.134 0.283 1.00 0.00 O ATOM 217 OE2 GLU A 14 9.415 11.940 2.032 1.00 0.00 O ATOM 0 H GLU A 14 5.287 11.487 -1.733 1.00 0.00 H new ATOM 0 HA GLU A 14 7.652 10.013 -2.311 1.00 0.00 H new ATOM 0 HB2 GLU A 14 7.571 12.272 -1.245 1.00 0.00 H new ATOM 0 HB3 GLU A 14 6.835 11.564 0.179 1.00 0.00 H new ATOM 0 HG2 GLU A 14 8.844 10.109 0.463 1.00 0.00 H new ATOM 0 HG3 GLU A 14 9.582 10.888 -0.922 1.00 0.00 H new ATOM 224 N ALA A 15 5.685 8.919 0.108 1.00 0.00 N ATOM 225 CA ALA A 15 5.347 7.767 0.948 1.00 0.00 C ATOM 226 C ALA A 15 5.012 6.534 0.103 1.00 0.00 C ATOM 227 O ALA A 15 5.312 5.410 0.494 1.00 0.00 O ATOM 228 CB ALA A 15 4.178 8.107 1.862 1.00 0.00 C ATOM 0 H ALA A 15 5.009 9.681 0.162 1.00 0.00 H new ATOM 0 HA ALA A 15 6.221 7.530 1.555 1.00 0.00 H new ATOM 0 HB1 ALA A 15 3.937 7.243 2.481 1.00 0.00 H new ATOM 0 HB2 ALA A 15 4.449 8.947 2.502 1.00 0.00 H new ATOM 0 HB3 ALA A 15 3.310 8.375 1.259 1.00 0.00 H new ATOM 234 N PHE A 16 4.426 6.777 -1.074 1.00 0.00 N ATOM 235 CA PHE A 16 4.023 5.729 -2.006 1.00 0.00 C ATOM 236 C PHE A 16 5.236 4.950 -2.539 1.00 0.00 C ATOM 237 O PHE A 16 5.160 3.734 -2.717 1.00 0.00 O ATOM 238 CB PHE A 16 3.232 6.357 -3.173 1.00 0.00 C ATOM 239 CG PHE A 16 2.639 5.360 -4.127 1.00 0.00 C ATOM 240 CD1 PHE A 16 1.495 4.673 -3.788 1.00 0.00 C ATOM 241 CD2 PHE A 16 3.230 5.104 -5.354 1.00 0.00 C ATOM 242 CE1 PHE A 16 0.945 3.746 -4.641 1.00 0.00 C ATOM 243 CE2 PHE A 16 2.683 4.176 -6.215 1.00 0.00 C ATOM 244 CZ PHE A 16 1.538 3.496 -5.852 1.00 0.00 C ATOM 0 H PHE A 16 4.218 7.719 -1.406 1.00 0.00 H new ATOM 0 HA PHE A 16 3.389 5.020 -1.474 1.00 0.00 H new ATOM 0 HB2 PHE A 16 2.430 6.971 -2.764 1.00 0.00 H new ATOM 0 HB3 PHE A 16 3.893 7.023 -3.727 1.00 0.00 H new ATOM 0 HD1 PHE A 16 1.022 4.866 -2.836 1.00 0.00 H new ATOM 0 HD2 PHE A 16 4.126 5.636 -5.638 1.00 0.00 H new ATOM 0 HE1 PHE A 16 0.048 3.216 -4.358 1.00 0.00 H new ATOM 0 HE2 PHE A 16 3.149 3.982 -7.170 1.00 0.00 H new ATOM 0 HZ PHE A 16 1.109 2.766 -6.522 1.00 0.00 H new ATOM 254 N ARG A 17 6.349 5.663 -2.775 1.00 0.00 N ATOM 255 CA ARG A 17 7.574 5.062 -3.309 1.00 0.00 C ATOM 256 C ARG A 17 8.229 4.095 -2.325 1.00 0.00 C ATOM 257 O ARG A 17 8.841 3.122 -2.748 1.00 0.00 O ATOM 258 CB ARG A 17 8.574 6.143 -3.690 1.00 0.00 C ATOM 259 CG ARG A 17 8.005 7.185 -4.624 1.00 0.00 C ATOM 260 CD ARG A 17 9.085 8.081 -5.171 1.00 0.00 C ATOM 261 NE ARG A 17 9.898 8.704 -4.117 1.00 0.00 N ATOM 262 CZ ARG A 17 9.875 10.002 -3.801 1.00 0.00 C ATOM 263 NH1 ARG A 17 8.968 10.819 -4.323 1.00 0.00 N ATOM 264 NH2 ARG A 17 10.749 10.472 -2.924 1.00 0.00 N ATOM 0 H ARG A 17 6.422 6.665 -2.601 1.00 0.00 H new ATOM 0 HA ARG A 17 7.282 4.494 -4.192 1.00 0.00 H new ATOM 0 HB2 ARG A 17 8.930 6.634 -2.784 1.00 0.00 H new ATOM 0 HB3 ARG A 17 9.439 5.677 -4.161 1.00 0.00 H new ATOM 0 HG2 ARG A 17 7.486 6.694 -5.447 1.00 0.00 H new ATOM 0 HG3 ARG A 17 7.265 7.786 -4.094 1.00 0.00 H new ATOM 0 HD2 ARG A 17 9.733 7.501 -5.828 1.00 0.00 H new ATOM 0 HD3 ARG A 17 8.629 8.861 -5.780 1.00 0.00 H new ATOM 0 HE ARG A 17 10.527 8.100 -3.587 1.00 0.00 H new ATOM 0 HH11 ARG A 17 8.273 10.459 -4.977 1.00 0.00 H new ATOM 0 HH12 ARG A 17 8.966 11.807 -4.070 1.00 0.00 H new ATOM 0 HH21 ARG A 17 11.431 9.845 -2.497 1.00 0.00 H new ATOM 0 HH22 ARG A 17 10.740 11.461 -2.675 1.00 0.00 H new ATOM 278 N VAL A 18 8.092 4.360 -1.015 1.00 0.00 N ATOM 279 CA VAL A 18 8.676 3.495 0.031 1.00 0.00 C ATOM 280 C VAL A 18 7.889 2.204 0.136 1.00 0.00 C ATOM 281 O VAL A 18 8.454 1.132 0.370 1.00 0.00 O ATOM 282 CB VAL A 18 8.663 4.121 1.453 1.00 0.00 C ATOM 283 CG1 VAL A 18 9.853 3.646 2.277 1.00 0.00 C ATOM 284 CG2 VAL A 18 8.596 5.626 1.415 1.00 0.00 C ATOM 0 H VAL A 18 7.582 5.166 -0.652 1.00 0.00 H new ATOM 0 HA VAL A 18 9.710 3.342 -0.279 1.00 0.00 H new ATOM 0 HB VAL A 18 7.752 3.774 1.941 1.00 0.00 H new ATOM 0 HG11 VAL A 18 9.815 4.102 3.267 1.00 0.00 H new ATOM 0 HG12 VAL A 18 9.818 2.561 2.375 1.00 0.00 H new ATOM 0 HG13 VAL A 18 10.779 3.935 1.779 1.00 0.00 H new ATOM 0 HG21 VAL A 18 8.589 6.016 2.433 1.00 0.00 H new ATOM 0 HG22 VAL A 18 9.464 6.016 0.883 1.00 0.00 H new ATOM 0 HG23 VAL A 18 7.686 5.937 0.901 1.00 0.00 H new ATOM 294 N PHE A 19 6.580 2.327 -0.048 1.00 0.00 N ATOM 295 CA PHE A 19 5.680 1.214 0.138 1.00 0.00 C ATOM 296 C PHE A 19 5.639 0.293 -1.090 1.00 0.00 C ATOM 297 O PHE A 19 5.369 -0.906 -0.970 1.00 0.00 O ATOM 298 CB PHE A 19 4.278 1.715 0.501 1.00 0.00 C ATOM 299 CG PHE A 19 4.160 2.173 1.930 1.00 0.00 C ATOM 300 CD1 PHE A 19 4.550 1.349 2.973 1.00 0.00 C ATOM 301 CD2 PHE A 19 3.680 3.429 2.229 1.00 0.00 C ATOM 302 CE1 PHE A 19 4.454 1.773 4.285 1.00 0.00 C ATOM 303 CE2 PHE A 19 3.583 3.864 3.535 1.00 0.00 C ATOM 304 CZ PHE A 19 3.970 3.036 4.565 1.00 0.00 C ATOM 0 H PHE A 19 6.124 3.195 -0.328 1.00 0.00 H new ATOM 0 HA PHE A 19 6.061 0.617 0.967 1.00 0.00 H new ATOM 0 HB2 PHE A 19 4.012 2.539 -0.160 1.00 0.00 H new ATOM 0 HB3 PHE A 19 3.557 0.917 0.322 1.00 0.00 H new ATOM 0 HD1 PHE A 19 4.934 0.363 2.758 1.00 0.00 H new ATOM 0 HD2 PHE A 19 3.374 4.085 1.427 1.00 0.00 H new ATOM 0 HE1 PHE A 19 4.757 1.119 5.089 1.00 0.00 H new ATOM 0 HE2 PHE A 19 3.204 4.852 3.749 1.00 0.00 H new ATOM 0 HZ PHE A 19 3.895 3.373 5.588 1.00 0.00 H new ATOM 314 N ASP A 20 5.913 0.865 -2.265 1.00 0.00 N ATOM 315 CA ASP A 20 6.022 0.090 -3.494 1.00 0.00 C ATOM 316 C ASP A 20 7.477 -0.351 -3.697 1.00 0.00 C ATOM 317 O ASP A 20 8.356 0.466 -3.975 1.00 0.00 O ATOM 318 CB ASP A 20 5.517 0.880 -4.719 1.00 0.00 C ATOM 319 CG ASP A 20 5.250 -0.013 -5.933 1.00 0.00 C ATOM 320 OD1 ASP A 20 5.997 -0.951 -6.182 1.00 0.00 O ATOM 321 OD2 ASP A 20 4.275 0.188 -6.651 1.00 0.00 O ATOM 0 H ASP A 20 6.063 1.867 -2.387 1.00 0.00 H new ATOM 0 HA ASP A 20 5.386 -0.790 -3.398 1.00 0.00 H new ATOM 0 HB2 ASP A 20 4.601 1.407 -4.453 1.00 0.00 H new ATOM 0 HB3 ASP A 20 6.254 1.637 -4.986 1.00 0.00 H new ATOM 326 N LYS A 21 7.708 -1.650 -3.537 1.00 0.00 N ATOM 327 CA LYS A 21 9.038 -2.247 -3.682 1.00 0.00 C ATOM 328 C LYS A 21 9.482 -2.374 -5.144 1.00 0.00 C ATOM 329 O LYS A 21 10.668 -2.244 -5.445 1.00 0.00 O ATOM 330 CB LYS A 21 9.070 -3.638 -3.031 1.00 0.00 C ATOM 331 CG LYS A 21 9.016 -3.641 -1.504 1.00 0.00 C ATOM 332 CD LYS A 21 10.398 -3.520 -0.852 1.00 0.00 C ATOM 333 CE LYS A 21 10.997 -2.123 -0.977 1.00 0.00 C ATOM 334 NZ LYS A 21 12.298 -2.000 -0.275 1.00 0.00 N ATOM 0 H LYS A 21 6.978 -2.323 -3.302 1.00 0.00 H new ATOM 0 HA LYS A 21 9.732 -1.572 -3.181 1.00 0.00 H new ATOM 0 HB2 LYS A 21 8.229 -4.219 -3.410 1.00 0.00 H new ATOM 0 HB3 LYS A 21 9.979 -4.149 -3.348 1.00 0.00 H new ATOM 0 HG2 LYS A 21 8.389 -2.816 -1.167 1.00 0.00 H new ATOM 0 HG3 LYS A 21 8.541 -4.562 -1.165 1.00 0.00 H new ATOM 0 HD2 LYS A 21 10.320 -3.782 0.203 1.00 0.00 H new ATOM 0 HD3 LYS A 21 11.074 -4.241 -1.311 1.00 0.00 H new ATOM 0 HE2 LYS A 21 11.132 -1.882 -2.031 1.00 0.00 H new ATOM 0 HE3 LYS A 21 10.297 -1.393 -0.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 12.664 -1.033 -0.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 12.167 -2.204 0.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 12.976 -2.677 -0.679 1.00 0.00 H new ATOM 348 N ASP A 22 8.531 -2.617 -6.039 1.00 0.00 N ATOM 349 CA ASP A 22 8.862 -2.972 -7.423 1.00 0.00 C ATOM 350 C ASP A 22 8.729 -1.789 -8.404 1.00 0.00 C ATOM 351 O ASP A 22 9.182 -1.877 -9.547 1.00 0.00 O ATOM 352 CB ASP A 22 7.985 -4.157 -7.876 1.00 0.00 C ATOM 353 CG ASP A 22 6.499 -3.930 -7.646 1.00 0.00 C ATOM 354 OD1 ASP A 22 5.946 -2.978 -8.180 1.00 0.00 O ATOM 355 OD2 ASP A 22 5.877 -4.672 -6.885 1.00 0.00 O ATOM 0 H ASP A 22 7.532 -2.576 -5.838 1.00 0.00 H new ATOM 0 HA ASP A 22 9.913 -3.259 -7.440 1.00 0.00 H new ATOM 0 HB2 ASP A 22 8.157 -4.342 -8.936 1.00 0.00 H new ATOM 0 HB3 ASP A 22 8.295 -5.055 -7.341 1.00 0.00 H new ATOM 360 N GLY A 23 8.129 -0.695 -7.941 1.00 0.00 N ATOM 361 CA GLY A 23 7.940 0.500 -8.754 1.00 0.00 C ATOM 362 C GLY A 23 6.943 0.335 -9.906 1.00 0.00 C ATOM 363 O GLY A 23 7.219 0.781 -11.020 1.00 0.00 O ATOM 0 H GLY A 23 7.761 -0.614 -6.993 1.00 0.00 H new ATOM 0 HA2 GLY A 23 7.601 1.312 -8.110 1.00 0.00 H new ATOM 0 HA3 GLY A 23 8.904 0.800 -9.165 1.00 0.00 H new ATOM 367 N ASN A 24 5.775 -0.280 -9.653 1.00 0.00 N ATOM 368 CA ASN A 24 4.782 -0.476 -10.722 1.00 0.00 C ATOM 369 C ASN A 24 3.576 0.460 -10.591 1.00 0.00 C ATOM 370 O ASN A 24 2.743 0.534 -11.498 1.00 0.00 O ATOM 371 CB ASN A 24 4.315 -1.954 -10.822 1.00 0.00 C ATOM 372 CG ASN A 24 3.372 -2.435 -9.713 1.00 0.00 C ATOM 373 OD1 ASN A 24 3.427 -1.990 -8.566 1.00 0.00 O ATOM 374 ND2 ASN A 24 2.516 -3.383 -10.046 1.00 0.00 N ATOM 0 H ASN A 24 5.500 -0.642 -8.740 1.00 0.00 H new ATOM 0 HA ASN A 24 5.295 -0.219 -11.649 1.00 0.00 H new ATOM 0 HB2 ASN A 24 3.817 -2.093 -11.781 1.00 0.00 H new ATOM 0 HB3 ASN A 24 5.197 -2.594 -10.825 1.00 0.00 H new ATOM 0 HD21 ASN A 24 1.880 -3.764 -9.346 1.00 0.00 H new ATOM 0 HD22 ASN A 24 2.491 -3.734 -11.003 1.00 0.00 H new ATOM 381 N GLY A 25 3.484 1.166 -9.466 1.00 0.00 N ATOM 382 CA GLY A 25 2.366 2.070 -9.229 1.00 0.00 C ATOM 383 C GLY A 25 1.215 1.383 -8.513 1.00 0.00 C ATOM 384 O GLY A 25 0.075 1.847 -8.564 1.00 0.00 O ATOM 0 H GLY A 25 4.167 1.129 -8.709 1.00 0.00 H new ATOM 0 HA2 GLY A 25 2.706 2.918 -8.635 1.00 0.00 H new ATOM 0 HA3 GLY A 25 2.014 2.468 -10.181 1.00 0.00 H new ATOM 388 N TYR A 26 1.537 0.274 -7.850 1.00 0.00 N ATOM 389 CA TYR A 26 0.569 -0.544 -7.128 1.00 0.00 C ATOM 390 C TYR A 26 1.207 -1.089 -5.863 1.00 0.00 C ATOM 391 O TYR A 26 2.296 -1.655 -5.914 1.00 0.00 O ATOM 392 CB TYR A 26 0.111 -1.747 -7.969 1.00 0.00 C ATOM 393 CG TYR A 26 -0.693 -1.400 -9.196 1.00 0.00 C ATOM 394 CD1 TYR A 26 -2.055 -1.242 -9.107 1.00 0.00 C ATOM 395 CD2 TYR A 26 -0.090 -1.237 -10.436 1.00 0.00 C ATOM 396 CE1 TYR A 26 -2.803 -0.923 -10.208 1.00 0.00 C ATOM 397 CE2 TYR A 26 -0.834 -0.914 -11.550 1.00 0.00 C ATOM 398 CZ TYR A 26 -2.196 -0.758 -11.430 1.00 0.00 C ATOM 399 OH TYR A 26 -2.951 -0.436 -12.532 1.00 0.00 O ATOM 0 H TYR A 26 2.490 -0.085 -7.799 1.00 0.00 H new ATOM 0 HA TYR A 26 -0.288 0.089 -6.900 1.00 0.00 H new ATOM 0 HB2 TYR A 26 0.991 -2.311 -8.278 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -0.485 -2.406 -7.338 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -2.543 -1.372 -8.153 1.00 0.00 H new ATOM 0 HD2 TYR A 26 0.978 -1.365 -10.529 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -3.872 -0.801 -10.116 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -0.353 -0.785 -12.508 1.00 0.00 H new ATOM 0 HH TYR A 26 -2.368 -0.355 -13.316 1.00 0.00 H new ATOM 409 N ILE A 27 0.531 -0.938 -4.745 1.00 0.00 N ATOM 410 CA ILE A 27 0.982 -1.532 -3.499 1.00 0.00 C ATOM 411 C ILE A 27 0.174 -2.791 -3.258 1.00 0.00 C ATOM 412 O ILE A 27 -0.998 -2.736 -2.892 1.00 0.00 O ATOM 413 CB ILE A 27 0.854 -0.571 -2.287 1.00 0.00 C ATOM 414 CG1 ILE A 27 1.583 0.745 -2.573 1.00 0.00 C ATOM 415 CG2 ILE A 27 1.413 -1.225 -1.017 1.00 0.00 C ATOM 416 CD1 ILE A 27 1.345 1.817 -1.534 1.00 0.00 C ATOM 0 H ILE A 27 -0.337 -0.407 -4.670 1.00 0.00 H new ATOM 0 HA ILE A 27 2.044 -1.758 -3.593 1.00 0.00 H new ATOM 0 HB ILE A 27 -0.203 -0.358 -2.127 1.00 0.00 H new ATOM 0 HG12 ILE A 27 2.653 0.549 -2.640 1.00 0.00 H new ATOM 0 HG13 ILE A 27 1.267 1.120 -3.546 1.00 0.00 H new ATOM 0 HG21 ILE A 27 1.314 -0.535 -0.179 1.00 0.00 H new ATOM 0 HG22 ILE A 27 0.857 -2.138 -0.803 1.00 0.00 H new ATOM 0 HG23 ILE A 27 2.465 -1.467 -1.165 1.00 0.00 H new ATOM 0 HD11 ILE A 27 1.895 2.717 -1.808 1.00 0.00 H new ATOM 0 HD12 ILE A 27 0.280 2.044 -1.482 1.00 0.00 H new ATOM 0 HD13 ILE A 27 1.688 1.464 -0.562 1.00 0.00 H new ATOM 428 N SER A 28 0.803 -3.917 -3.523 1.00 0.00 N ATOM 429 CA SER A 28 0.187 -5.206 -3.304 1.00 0.00 C ATOM 430 C SER A 28 0.309 -5.596 -1.827 1.00 0.00 C ATOM 431 O SER A 28 1.041 -4.950 -1.064 1.00 0.00 O ATOM 432 CB SER A 28 0.872 -6.239 -4.201 1.00 0.00 C ATOM 433 OG SER A 28 0.977 -5.762 -5.536 1.00 0.00 O ATOM 0 H SER A 28 1.752 -3.963 -3.895 1.00 0.00 H new ATOM 0 HA SER A 28 -0.873 -5.164 -3.555 1.00 0.00 H new ATOM 0 HB2 SER A 28 1.865 -6.463 -3.812 1.00 0.00 H new ATOM 0 HB3 SER A 28 0.306 -7.171 -4.187 1.00 0.00 H new ATOM 0 HG SER A 28 1.760 -5.178 -5.614 1.00 0.00 H new ATOM 439 N ALA A 29 -0.398 -6.651 -1.427 1.00 0.00 N ATOM 440 CA ALA A 29 -0.354 -7.131 -0.049 1.00 0.00 C ATOM 441 C ALA A 29 0.996 -7.772 0.286 1.00 0.00 C ATOM 442 O ALA A 29 1.431 -7.724 1.423 1.00 0.00 O ATOM 443 CB ALA A 29 -1.489 -8.105 0.217 1.00 0.00 C ATOM 0 H ALA A 29 -1.009 -7.190 -2.040 1.00 0.00 H new ATOM 0 HA ALA A 29 -0.477 -6.266 0.602 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -1.438 -8.450 1.250 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -2.443 -7.606 0.048 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -1.402 -8.958 -0.456 1.00 0.00 H new ATOM 449 N ALA A 30 1.668 -8.337 -0.717 1.00 0.00 N ATOM 450 CA ALA A 30 3.007 -8.901 -0.533 1.00 0.00 C ATOM 451 C ALA A 30 4.063 -7.799 -0.367 1.00 0.00 C ATOM 452 O ALA A 30 5.081 -7.997 0.303 1.00 0.00 O ATOM 453 CB ALA A 30 3.358 -9.803 -1.704 1.00 0.00 C ATOM 0 H ALA A 30 1.307 -8.417 -1.668 1.00 0.00 H new ATOM 0 HA ALA A 30 3.002 -9.492 0.383 1.00 0.00 H new ATOM 0 HB1 ALA A 30 4.355 -10.217 -1.558 1.00 0.00 H new ATOM 0 HB2 ALA A 30 2.633 -10.615 -1.768 1.00 0.00 H new ATOM 0 HB3 ALA A 30 3.337 -9.225 -2.628 1.00 0.00 H new ATOM 459 N GLU A 31 3.794 -6.630 -0.961 1.00 0.00 N ATOM 460 CA GLU A 31 4.702 -5.486 -0.893 1.00 0.00 C ATOM 461 C GLU A 31 4.651 -4.819 0.474 1.00 0.00 C ATOM 462 O GLU A 31 5.688 -4.627 1.100 1.00 0.00 O ATOM 463 CB GLU A 31 4.358 -4.464 -1.968 1.00 0.00 C ATOM 464 CG GLU A 31 4.537 -4.986 -3.372 1.00 0.00 C ATOM 465 CD GLU A 31 4.280 -3.922 -4.405 1.00 0.00 C ATOM 466 OE1 GLU A 31 4.974 -2.902 -4.399 1.00 0.00 O ATOM 467 OE2 GLU A 31 3.410 -4.105 -5.273 1.00 0.00 O ATOM 0 H GLU A 31 2.945 -6.454 -1.499 1.00 0.00 H new ATOM 0 HA GLU A 31 5.712 -5.861 -1.060 1.00 0.00 H new ATOM 0 HB2 GLU A 31 3.324 -4.144 -1.837 1.00 0.00 H new ATOM 0 HB3 GLU A 31 4.984 -3.582 -1.834 1.00 0.00 H new ATOM 0 HG2 GLU A 31 5.551 -5.369 -3.490 1.00 0.00 H new ATOM 0 HG3 GLU A 31 3.859 -5.823 -3.537 1.00 0.00 H new ATOM 474 N LEU A 32 3.430 -4.507 0.937 1.00 0.00 N ATOM 475 CA LEU A 32 3.217 -3.852 2.235 1.00 0.00 C ATOM 476 C LEU A 32 3.647 -4.762 3.395 1.00 0.00 C ATOM 477 O LEU A 32 4.154 -4.283 4.406 1.00 0.00 O ATOM 478 CB LEU A 32 1.740 -3.453 2.387 1.00 0.00 C ATOM 479 CG LEU A 32 1.403 -2.627 3.641 1.00 0.00 C ATOM 480 CD1 LEU A 32 2.063 -1.260 3.575 1.00 0.00 C ATOM 481 CD2 LEU A 32 -0.098 -2.484 3.812 1.00 0.00 C ATOM 0 H LEU A 32 2.569 -4.701 0.425 1.00 0.00 H new ATOM 0 HA LEU A 32 3.834 -2.954 2.269 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.443 -2.883 1.507 1.00 0.00 H new ATOM 0 HB3 LEU A 32 1.136 -4.360 2.397 1.00 0.00 H new ATOM 0 HG LEU A 32 1.794 -3.159 4.508 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.813 -0.691 4.471 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.144 -1.381 3.512 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.706 -0.726 2.694 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -0.308 -1.896 4.706 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -0.517 -1.982 2.940 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -0.548 -3.471 3.913 1.00 0.00 H new ATOM 493 N ARG A 33 3.470 -6.073 3.208 1.00 0.00 N ATOM 494 CA ARG A 33 3.891 -7.086 4.178 1.00 0.00 C ATOM 495 C ARG A 33 5.408 -7.072 4.374 1.00 0.00 C ATOM 496 O ARG A 33 5.887 -7.083 5.508 1.00 0.00 O ATOM 497 CB ARG A 33 3.421 -8.458 3.688 1.00 0.00 C ATOM 498 CG ARG A 33 3.741 -9.625 4.598 1.00 0.00 C ATOM 499 CD ARG A 33 3.213 -10.912 3.991 1.00 0.00 C ATOM 500 NE ARG A 33 3.712 -12.106 4.670 1.00 0.00 N ATOM 501 CZ ARG A 33 3.626 -13.344 4.167 1.00 0.00 C ATOM 502 NH1 ARG A 33 3.007 -13.574 3.007 1.00 0.00 N ATOM 503 NH2 ARG A 33 4.160 -14.356 4.832 1.00 0.00 N ATOM 0 H ARG A 33 3.028 -6.463 2.375 1.00 0.00 H new ATOM 0 HA ARG A 33 3.441 -6.865 5.146 1.00 0.00 H new ATOM 0 HB2 ARG A 33 2.342 -8.421 3.541 1.00 0.00 H new ATOM 0 HB3 ARG A 33 3.869 -8.648 2.713 1.00 0.00 H new ATOM 0 HG2 ARG A 33 4.818 -9.698 4.746 1.00 0.00 H new ATOM 0 HG3 ARG A 33 3.295 -9.465 5.579 1.00 0.00 H new ATOM 0 HD2 ARG A 33 2.124 -10.906 4.030 1.00 0.00 H new ATOM 0 HD3 ARG A 33 3.494 -10.954 2.939 1.00 0.00 H new ATOM 0 HE ARG A 33 4.153 -11.989 5.583 1.00 0.00 H new ATOM 0 HH11 ARG A 33 2.590 -12.800 2.489 1.00 0.00 H new ATOM 0 HH12 ARG A 33 2.951 -14.523 2.638 1.00 0.00 H new ATOM 0 HH21 ARG A 33 4.633 -14.190 5.721 1.00 0.00 H new ATOM 0 HH22 ARG A 33 4.099 -15.302 4.456 1.00 0.00 H new ATOM 517 N HIS A 34 6.153 -6.999 3.267 1.00 0.00 N ATOM 518 CA HIS A 34 7.611 -6.978 3.324 1.00 0.00 C ATOM 519 C HIS A 34 8.131 -5.653 3.902 1.00 0.00 C ATOM 520 O HIS A 34 9.046 -5.676 4.710 1.00 0.00 O ATOM 521 CB HIS A 34 8.227 -7.251 1.934 1.00 0.00 C ATOM 522 CG HIS A 34 9.733 -7.353 1.946 1.00 0.00 C ATOM 523 ND1 HIS A 34 10.408 -8.463 2.405 1.00 0.00 N ATOM 524 CD2 HIS A 34 10.687 -6.450 1.612 1.00 0.00 C ATOM 525 CE1 HIS A 34 11.708 -8.237 2.356 1.00 0.00 C ATOM 526 NE2 HIS A 34 11.898 -7.027 1.878 1.00 0.00 N ATOM 0 H HIS A 34 5.768 -6.954 2.324 1.00 0.00 H new ATOM 0 HA HIS A 34 7.923 -7.778 3.995 1.00 0.00 H new ATOM 0 HB2 HIS A 34 7.812 -8.178 1.539 1.00 0.00 H new ATOM 0 HB3 HIS A 34 7.931 -6.453 1.253 1.00 0.00 H new ATOM 0 HD2 HIS A 34 10.522 -5.461 1.211 1.00 0.00 H new ATOM 0 HE1 HIS A 34 12.482 -8.927 2.657 1.00 0.00 H new ATOM 0 HE2 HIS A 34 12.806 -6.588 1.729 1.00 0.00 H new ATOM 535 N VAL A 35 7.535 -4.525 3.486 1.00 0.00 N ATOM 536 CA VAL A 35 7.973 -3.184 3.921 1.00 0.00 C ATOM 537 C VAL A 35 7.794 -2.999 5.433 1.00 0.00 C ATOM 538 O VAL A 35 8.719 -2.562 6.107 1.00 0.00 O ATOM 539 CB VAL A 35 7.223 -2.054 3.140 1.00 0.00 C ATOM 540 CG1 VAL A 35 7.519 -0.663 3.695 1.00 0.00 C ATOM 541 CG2 VAL A 35 7.594 -2.084 1.670 1.00 0.00 C ATOM 0 H VAL A 35 6.742 -4.513 2.844 1.00 0.00 H new ATOM 0 HA VAL A 35 9.036 -3.106 3.692 1.00 0.00 H new ATOM 0 HB VAL A 35 6.158 -2.251 3.264 1.00 0.00 H new ATOM 0 HG11 VAL A 35 6.974 0.083 3.117 1.00 0.00 H new ATOM 0 HG12 VAL A 35 7.207 -0.613 4.738 1.00 0.00 H new ATOM 0 HG13 VAL A 35 8.589 -0.464 3.627 1.00 0.00 H new ATOM 0 HG21 VAL A 35 7.062 -1.291 1.144 1.00 0.00 H new ATOM 0 HG22 VAL A 35 8.668 -1.934 1.563 1.00 0.00 H new ATOM 0 HG23 VAL A 35 7.319 -3.049 1.245 1.00 0.00 H new ATOM 551 N MET A 36 6.625 -3.383 5.950 1.00 0.00 N ATOM 552 CA MET A 36 6.311 -3.246 7.378 1.00 0.00 C ATOM 553 C MET A 36 7.204 -4.114 8.257 1.00 0.00 C ATOM 554 O MET A 36 7.688 -3.662 9.287 1.00 0.00 O ATOM 555 CB MET A 36 4.860 -3.608 7.636 1.00 0.00 C ATOM 556 CG MET A 36 3.878 -2.565 7.154 1.00 0.00 C ATOM 557 SD MET A 36 4.013 -1.026 8.065 1.00 0.00 S ATOM 558 CE MET A 36 2.746 -0.069 7.255 1.00 0.00 C ATOM 0 H MET A 36 5.873 -3.795 5.397 1.00 0.00 H new ATOM 0 HA MET A 36 6.492 -2.203 7.639 1.00 0.00 H new ATOM 0 HB2 MET A 36 4.639 -4.556 7.146 1.00 0.00 H new ATOM 0 HB3 MET A 36 4.718 -3.761 8.706 1.00 0.00 H new ATOM 0 HG2 MET A 36 4.047 -2.373 6.094 1.00 0.00 H new ATOM 0 HG3 MET A 36 2.864 -2.953 7.250 1.00 0.00 H new ATOM 0 HE1 MET A 36 2.586 0.860 7.802 1.00 0.00 H new ATOM 0 HE2 MET A 36 3.058 0.159 6.236 1.00 0.00 H new ATOM 0 HE3 MET A 36 1.818 -0.640 7.231 1.00 0.00 H new ATOM 568 N THR A 37 7.423 -5.351 7.826 1.00 0.00 N ATOM 569 CA THR A 37 8.299 -6.288 8.540 1.00 0.00 C ATOM 570 C THR A 37 9.780 -5.834 8.482 1.00 0.00 C ATOM 571 O THR A 37 10.536 -6.033 9.437 1.00 0.00 O ATOM 572 CB THR A 37 8.124 -7.719 7.968 1.00 0.00 C ATOM 573 OG1 THR A 37 6.740 -8.090 8.041 1.00 0.00 O ATOM 574 CG2 THR A 37 8.937 -8.755 8.730 1.00 0.00 C ATOM 0 H THR A 37 7.005 -5.736 6.979 1.00 0.00 H new ATOM 0 HA THR A 37 8.010 -6.298 9.591 1.00 0.00 H new ATOM 0 HB THR A 37 8.479 -7.700 6.938 1.00 0.00 H new ATOM 0 HG1 THR A 37 6.285 -7.821 7.216 1.00 0.00 H new ATOM 0 HG21 THR A 37 8.778 -9.739 8.288 1.00 0.00 H new ATOM 0 HG22 THR A 37 9.995 -8.499 8.675 1.00 0.00 H new ATOM 0 HG23 THR A 37 8.621 -8.770 9.773 1.00 0.00 H new ATOM 582 N ASN A 38 10.153 -5.161 7.385 1.00 0.00 N ATOM 583 CA ASN A 38 11.514 -4.638 7.189 1.00 0.00 C ATOM 584 C ASN A 38 11.778 -3.408 8.073 1.00 0.00 C ATOM 585 O ASN A 38 12.900 -3.194 8.535 1.00 0.00 O ATOM 586 CB ASN A 38 11.722 -4.274 5.708 1.00 0.00 C ATOM 587 CG ASN A 38 13.167 -3.989 5.326 1.00 0.00 C ATOM 588 OD1 ASN A 38 14.098 -4.736 5.893 1.00 0.00 O flip ATOM 589 ND2 ASN A 38 13.436 -3.128 4.486 1.00 0.00 N flip ATOM 0 H ASN A 38 9.521 -4.963 6.609 1.00 0.00 H new ATOM 0 HA ASN A 38 12.220 -5.416 7.479 1.00 0.00 H new ATOM 0 HB2 ASN A 38 11.350 -5.092 5.090 1.00 0.00 H new ATOM 0 HB3 ASN A 38 11.118 -3.398 5.474 1.00 0.00 H new ATOM 0 HD21 ASN A 38 12.690 -2.571 4.070 1.00 0.00 H new ATOM 0 HD22 ASN A 38 14.405 -2.973 4.207 1.00 0.00 H new ATOM 596 N LEU A 39 10.729 -2.622 8.315 1.00 0.00 N ATOM 597 CA LEU A 39 10.816 -1.435 9.170 1.00 0.00 C ATOM 598 C LEU A 39 10.786 -1.808 10.656 1.00 0.00 C ATOM 599 O LEU A 39 11.209 -1.021 11.507 1.00 0.00 O ATOM 600 CB LEU A 39 9.671 -0.464 8.846 1.00 0.00 C ATOM 601 CG LEU A 39 9.686 0.129 7.431 1.00 0.00 C ATOM 602 CD1 LEU A 39 8.421 0.931 7.178 1.00 0.00 C ATOM 603 CD2 LEU A 39 10.918 0.999 7.216 1.00 0.00 C ATOM 0 H LEU A 39 9.800 -2.787 7.927 1.00 0.00 H new ATOM 0 HA LEU A 39 11.770 -0.948 8.967 1.00 0.00 H new ATOM 0 HB2 LEU A 39 8.725 -0.984 8.993 1.00 0.00 H new ATOM 0 HB3 LEU A 39 9.699 0.355 9.564 1.00 0.00 H new ATOM 0 HG LEU A 39 9.725 -0.696 6.720 1.00 0.00 H new ATOM 0 HD11 LEU A 39 8.448 1.345 6.170 1.00 0.00 H new ATOM 0 HD12 LEU A 39 7.552 0.281 7.281 1.00 0.00 H new ATOM 0 HD13 LEU A 39 8.354 1.743 7.902 1.00 0.00 H new ATOM 0 HD21 LEU A 39 10.904 1.407 6.205 1.00 0.00 H new ATOM 0 HD22 LEU A 39 10.916 1.816 7.937 1.00 0.00 H new ATOM 0 HD23 LEU A 39 11.817 0.397 7.352 1.00 0.00 H new ATOM 615 N GLY A 40 10.291 -3.007 10.965 1.00 0.00 N ATOM 616 CA GLY A 40 10.255 -3.472 12.339 1.00 0.00 C ATOM 617 C GLY A 40 8.870 -3.391 12.949 1.00 0.00 C ATOM 618 O GLY A 40 8.700 -3.611 14.146 1.00 0.00 O ATOM 0 H GLY A 40 9.914 -3.665 10.283 1.00 0.00 H new ATOM 0 HA2 GLY A 40 10.605 -4.504 12.378 1.00 0.00 H new ATOM 0 HA3 GLY A 40 10.946 -2.878 12.937 1.00 0.00 H new ATOM 622 N GLU A 41 7.880 -3.090 12.115 1.00 0.00 N ATOM 623 CA GLU A 41 6.492 -2.980 12.556 1.00 0.00 C ATOM 624 C GLU A 41 5.804 -4.337 12.508 1.00 0.00 C ATOM 625 O GLU A 41 4.826 -4.556 13.225 1.00 0.00 O ATOM 626 CB GLU A 41 5.749 -1.955 11.700 1.00 0.00 C ATOM 627 CG GLU A 41 6.315 -0.556 11.849 1.00 0.00 C ATOM 628 CD GLU A 41 5.634 0.459 10.965 1.00 0.00 C ATOM 629 OE1 GLU A 41 4.562 0.967 11.346 1.00 0.00 O ATOM 630 OE2 GLU A 41 6.194 0.784 9.901 1.00 0.00 O ATOM 0 H GLU A 41 8.015 -2.916 11.119 1.00 0.00 H new ATOM 0 HA GLU A 41 6.478 -2.637 13.591 1.00 0.00 H new ATOM 0 HB2 GLU A 41 5.800 -2.255 10.653 1.00 0.00 H new ATOM 0 HB3 GLU A 41 4.695 -1.949 11.979 1.00 0.00 H new ATOM 0 HG2 GLU A 41 6.222 -0.243 12.889 1.00 0.00 H new ATOM 0 HG3 GLU A 41 7.380 -0.575 11.616 1.00 0.00 H new ATOM 637 N LYS A 42 6.341 -5.231 11.645 1.00 0.00 N ATOM 638 CA LYS A 42 6.020 -6.680 11.630 1.00 0.00 C ATOM 639 C LYS A 42 4.542 -6.958 11.322 1.00 0.00 C ATOM 640 O LYS A 42 3.928 -7.840 11.938 1.00 0.00 O ATOM 641 CB LYS A 42 6.385 -7.333 12.973 1.00 0.00 C ATOM 642 CG LYS A 42 7.813 -7.095 13.446 1.00 0.00 C ATOM 643 CD LYS A 42 7.934 -7.348 14.944 1.00 0.00 C ATOM 644 CE LYS A 42 7.022 -6.418 15.736 1.00 0.00 C ATOM 645 NZ LYS A 42 6.925 -6.806 17.164 1.00 0.00 N ATOM 0 H LYS A 42 7.018 -4.964 10.930 1.00 0.00 H new ATOM 0 HA LYS A 42 6.617 -7.115 10.829 1.00 0.00 H new ATOM 0 HB2 LYS A 42 5.701 -6.963 13.736 1.00 0.00 H new ATOM 0 HB3 LYS A 42 6.221 -8.408 12.892 1.00 0.00 H new ATOM 0 HG2 LYS A 42 8.495 -7.752 12.905 1.00 0.00 H new ATOM 0 HG3 LYS A 42 8.110 -6.071 13.220 1.00 0.00 H new ATOM 0 HD2 LYS A 42 7.678 -8.385 15.162 1.00 0.00 H new ATOM 0 HD3 LYS A 42 8.968 -7.202 15.258 1.00 0.00 H new ATOM 0 HE2 LYS A 42 7.397 -5.397 15.664 1.00 0.00 H new ATOM 0 HE3 LYS A 42 6.027 -6.424 15.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 6.295 -6.145 17.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 6.542 -7.770 17.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 7.870 -6.775 17.597 1.00 0.00 H new ATOM 659 N LEU A 43 3.983 -6.211 10.371 1.00 0.00 N ATOM 660 CA LEU A 43 2.590 -6.387 9.968 1.00 0.00 C ATOM 661 C LEU A 43 2.439 -7.728 9.256 1.00 0.00 C ATOM 662 O LEU A 43 3.063 -7.962 8.212 1.00 0.00 O ATOM 663 CB LEU A 43 2.151 -5.238 9.051 1.00 0.00 C ATOM 664 CG LEU A 43 0.786 -4.614 9.347 1.00 0.00 C ATOM 665 CD1 LEU A 43 0.808 -3.872 10.674 1.00 0.00 C ATOM 666 CD2 LEU A 43 0.367 -3.673 8.225 1.00 0.00 C ATOM 0 H LEU A 43 4.476 -5.476 9.864 1.00 0.00 H new ATOM 0 HA LEU A 43 1.953 -6.376 10.852 1.00 0.00 H new ATOM 0 HB2 LEU A 43 2.904 -4.452 9.104 1.00 0.00 H new ATOM 0 HB3 LEU A 43 2.144 -5.604 8.024 1.00 0.00 H new ATOM 0 HG LEU A 43 0.056 -5.421 9.413 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.173 -3.437 10.864 1.00 0.00 H new ATOM 0 HD12 LEU A 43 1.058 -4.567 11.476 1.00 0.00 H new ATOM 0 HD13 LEU A 43 1.555 -3.080 10.635 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.606 -3.241 8.457 1.00 0.00 H new ATOM 0 HD22 LEU A 43 1.103 -2.876 8.125 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.304 -4.228 7.289 1.00 0.00 H new ATOM 678 N THR A 44 1.631 -8.611 9.845 1.00 0.00 N ATOM 679 CA THR A 44 1.461 -9.974 9.348 1.00 0.00 C ATOM 680 C THR A 44 0.520 -9.998 8.146 1.00 0.00 C ATOM 681 O THR A 44 -0.030 -8.970 7.775 1.00 0.00 O ATOM 682 CB THR A 44 0.900 -10.905 10.452 1.00 0.00 C ATOM 683 OG1 THR A 44 -0.371 -10.419 10.916 1.00 0.00 O ATOM 684 CG2 THR A 44 1.867 -11.010 11.624 1.00 0.00 C ATOM 0 H THR A 44 1.079 -8.401 10.677 1.00 0.00 H new ATOM 0 HA THR A 44 2.444 -10.335 9.045 1.00 0.00 H new ATOM 0 HB THR A 44 0.771 -11.897 10.019 1.00 0.00 H new ATOM 0 HG1 THR A 44 -0.716 -11.017 11.612 1.00 0.00 H new ATOM 0 HG21 THR A 44 1.448 -11.670 12.384 1.00 0.00 H new ATOM 0 HG22 THR A 44 2.817 -11.415 11.276 1.00 0.00 H new ATOM 0 HG23 THR A 44 2.029 -10.021 12.052 1.00 0.00 H new ATOM 692 N ASP A 45 0.319 -11.177 7.564 1.00 0.00 N ATOM 693 CA ASP A 45 -0.564 -11.346 6.402 1.00 0.00 C ATOM 694 C ASP A 45 -2.016 -10.965 6.709 1.00 0.00 C ATOM 695 O ASP A 45 -2.694 -10.406 5.855 1.00 0.00 O ATOM 696 CB ASP A 45 -0.479 -12.781 5.870 1.00 0.00 C ATOM 697 CG ASP A 45 -0.688 -13.843 6.935 1.00 0.00 C ATOM 698 OD1 ASP A 45 -1.842 -14.246 7.170 1.00 0.00 O ATOM 699 OD2 ASP A 45 0.313 -14.273 7.543 1.00 0.00 O ATOM 0 H ASP A 45 0.759 -12.042 7.879 1.00 0.00 H new ATOM 0 HA ASP A 45 -0.215 -10.660 5.630 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -1.226 -12.913 5.087 1.00 0.00 H new ATOM 0 HB3 ASP A 45 0.497 -12.930 5.408 1.00 0.00 H new ATOM 704 N GLU A 46 -2.459 -11.232 7.937 1.00 0.00 N ATOM 705 CA GLU A 46 -3.784 -10.830 8.403 1.00 0.00 C ATOM 706 C GLU A 46 -3.901 -9.314 8.507 1.00 0.00 C ATOM 707 O GLU A 46 -4.869 -8.735 8.028 1.00 0.00 O ATOM 708 CB GLU A 46 -4.086 -11.464 9.762 1.00 0.00 C ATOM 709 CG GLU A 46 -4.404 -12.947 9.692 1.00 0.00 C ATOM 710 CD GLU A 46 -5.687 -13.220 8.938 1.00 0.00 C ATOM 711 OE1 GLU A 46 -6.767 -12.919 9.480 1.00 0.00 O ATOM 712 OE2 GLU A 46 -5.625 -13.732 7.805 1.00 0.00 O ATOM 0 H GLU A 46 -1.910 -11.733 8.636 1.00 0.00 H new ATOM 0 HA GLU A 46 -4.511 -11.181 7.670 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -3.229 -11.317 10.419 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -4.929 -10.943 10.216 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -3.581 -13.471 9.207 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -4.486 -13.348 10.702 1.00 0.00 H new ATOM 719 N GLU A 47 -2.878 -8.690 9.089 1.00 0.00 N ATOM 720 CA GLU A 47 -2.867 -7.244 9.337 1.00 0.00 C ATOM 721 C GLU A 47 -2.763 -6.443 8.037 1.00 0.00 C ATOM 722 O GLU A 47 -3.415 -5.412 7.878 1.00 0.00 O ATOM 723 CB GLU A 47 -1.689 -6.878 10.235 1.00 0.00 C ATOM 724 CG GLU A 47 -1.748 -7.462 11.630 1.00 0.00 C ATOM 725 CD GLU A 47 -2.905 -6.928 12.443 1.00 0.00 C ATOM 726 OE1 GLU A 47 -2.921 -5.713 12.731 1.00 0.00 O ATOM 727 OE2 GLU A 47 -3.789 -7.726 12.805 1.00 0.00 O ATOM 0 H GLU A 47 -2.034 -9.169 9.402 1.00 0.00 H new ATOM 0 HA GLU A 47 -3.809 -6.992 9.824 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -0.768 -7.211 9.756 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -1.634 -5.792 10.313 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -1.829 -8.547 11.561 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -0.815 -7.244 12.149 1.00 0.00 H new ATOM 734 N VAL A 48 -1.934 -6.941 7.117 1.00 0.00 N ATOM 735 CA VAL A 48 -1.726 -6.311 5.817 1.00 0.00 C ATOM 736 C VAL A 48 -2.965 -6.457 4.940 1.00 0.00 C ATOM 737 O VAL A 48 -3.337 -5.502 4.268 1.00 0.00 O ATOM 738 CB VAL A 48 -0.477 -6.885 5.087 1.00 0.00 C ATOM 739 CG1 VAL A 48 -0.329 -6.322 3.685 1.00 0.00 C ATOM 740 CG2 VAL A 48 0.783 -6.585 5.865 1.00 0.00 C ATOM 0 H VAL A 48 -1.389 -7.792 7.255 1.00 0.00 H new ATOM 0 HA VAL A 48 -1.546 -5.251 5.998 1.00 0.00 H new ATOM 0 HB VAL A 48 -0.625 -7.963 5.018 1.00 0.00 H new ATOM 0 HG11 VAL A 48 0.555 -6.750 3.213 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -1.212 -6.573 3.097 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -0.224 -5.238 3.737 1.00 0.00 H new ATOM 0 HG21 VAL A 48 1.643 -6.995 5.336 1.00 0.00 H new ATOM 0 HG22 VAL A 48 0.900 -5.506 5.966 1.00 0.00 H new ATOM 0 HG23 VAL A 48 0.716 -7.037 6.855 1.00 0.00 H new ATOM 750 N ASP A 49 -3.623 -7.629 4.988 1.00 0.00 N ATOM 751 CA ASP A 49 -4.818 -7.881 4.172 1.00 0.00 C ATOM 752 C ASP A 49 -5.948 -6.938 4.547 1.00 0.00 C ATOM 753 O ASP A 49 -6.601 -6.405 3.661 1.00 0.00 O ATOM 754 CB ASP A 49 -5.298 -9.329 4.287 1.00 0.00 C ATOM 755 CG ASP A 49 -6.413 -9.635 3.300 1.00 0.00 C ATOM 756 OD1 ASP A 49 -6.126 -9.742 2.090 1.00 0.00 O ATOM 757 OD2 ASP A 49 -7.577 -9.778 3.725 1.00 0.00 O ATOM 0 H ASP A 49 -3.347 -8.412 5.581 1.00 0.00 H new ATOM 0 HA ASP A 49 -4.530 -7.699 3.137 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -4.461 -10.004 4.110 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -5.650 -9.516 5.302 1.00 0.00 H new ATOM 762 N GLU A 50 -6.128 -6.696 5.854 1.00 0.00 N ATOM 763 CA GLU A 50 -7.141 -5.750 6.346 1.00 0.00 C ATOM 764 C GLU A 50 -6.869 -4.326 5.858 1.00 0.00 C ATOM 765 O GLU A 50 -7.794 -3.612 5.476 1.00 0.00 O ATOM 766 CB GLU A 50 -7.196 -5.720 7.870 1.00 0.00 C ATOM 767 CG GLU A 50 -7.529 -7.045 8.531 1.00 0.00 C ATOM 768 CD GLU A 50 -8.871 -7.594 8.118 1.00 0.00 C ATOM 769 OE1 GLU A 50 -9.899 -6.943 8.392 1.00 0.00 O ATOM 770 OE2 GLU A 50 -8.902 -8.682 7.519 1.00 0.00 O ATOM 0 H GLU A 50 -5.584 -7.144 6.591 1.00 0.00 H new ATOM 0 HA GLU A 50 -8.093 -6.102 5.950 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -6.232 -5.377 8.246 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -7.938 -4.983 8.176 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -6.755 -7.772 8.284 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -7.513 -6.918 9.613 1.00 0.00 H new ATOM 777 N MET A 51 -5.595 -3.934 5.865 1.00 0.00 N ATOM 778 CA MET A 51 -5.189 -2.595 5.442 1.00 0.00 C ATOM 779 C MET A 51 -5.300 -2.405 3.935 1.00 0.00 C ATOM 780 O MET A 51 -5.684 -1.332 3.487 1.00 0.00 O ATOM 781 CB MET A 51 -3.760 -2.294 5.896 1.00 0.00 C ATOM 782 CG MET A 51 -3.631 -2.044 7.390 1.00 0.00 C ATOM 783 SD MET A 51 -4.576 -0.606 7.938 1.00 0.00 S ATOM 784 CE MET A 51 -3.763 0.718 7.038 1.00 0.00 C ATOM 0 H MET A 51 -4.822 -4.530 6.161 1.00 0.00 H new ATOM 0 HA MET A 51 -5.876 -1.895 5.917 1.00 0.00 H new ATOM 0 HB2 MET A 51 -3.117 -3.130 5.620 1.00 0.00 H new ATOM 0 HB3 MET A 51 -3.394 -1.420 5.358 1.00 0.00 H new ATOM 0 HG2 MET A 51 -3.971 -2.926 7.933 1.00 0.00 H new ATOM 0 HG3 MET A 51 -2.580 -1.901 7.641 1.00 0.00 H new ATOM 0 HE1 MET A 51 -4.022 1.676 7.488 1.00 0.00 H new ATOM 0 HE2 MET A 51 -2.683 0.577 7.080 1.00 0.00 H new ATOM 0 HE3 MET A 51 -4.090 0.705 5.998 1.00 0.00 H new ATOM 794 N ILE A 52 -4.968 -3.449 3.169 1.00 0.00 N ATOM 795 CA ILE A 52 -5.049 -3.414 1.707 1.00 0.00 C ATOM 796 C ILE A 52 -6.508 -3.384 1.246 1.00 0.00 C ATOM 797 O ILE A 52 -6.846 -2.594 0.391 1.00 0.00 O ATOM 798 CB ILE A 52 -4.272 -4.609 1.046 1.00 0.00 C ATOM 799 CG1 ILE A 52 -2.755 -4.464 1.267 1.00 0.00 C ATOM 800 CG2 ILE A 52 -4.565 -4.753 -0.453 1.00 0.00 C ATOM 801 CD1 ILE A 52 -2.129 -3.204 0.683 1.00 0.00 C ATOM 0 H ILE A 52 -4.637 -4.338 3.544 1.00 0.00 H new ATOM 0 HA ILE A 52 -4.565 -2.496 1.375 1.00 0.00 H new ATOM 0 HB ILE A 52 -4.629 -5.514 1.537 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -2.557 -4.485 2.339 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -2.257 -5.331 0.834 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -4.001 -5.594 -0.855 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -5.631 -4.928 -0.600 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -4.272 -3.839 -0.970 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -1.059 -3.198 0.893 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -2.287 -3.185 -0.395 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -2.592 -2.326 1.133 1.00 0.00 H new ATOM 813 N ARG A 53 -7.374 -4.194 1.867 1.00 0.00 N ATOM 814 CA ARG A 53 -8.787 -4.271 1.461 1.00 0.00 C ATOM 815 C ARG A 53 -9.585 -3.027 1.883 1.00 0.00 C ATOM 816 O ARG A 53 -10.636 -2.738 1.311 1.00 0.00 O ATOM 817 CB ARG A 53 -9.443 -5.557 2.002 1.00 0.00 C ATOM 818 CG ARG A 53 -9.646 -5.616 3.508 1.00 0.00 C ATOM 819 CD ARG A 53 -10.042 -7.016 3.934 1.00 0.00 C ATOM 820 NE ARG A 53 -10.647 -7.056 5.264 1.00 0.00 N ATOM 821 CZ ARG A 53 -11.892 -7.482 5.514 1.00 0.00 C ATOM 822 NH1 ARG A 53 -12.696 -7.857 4.522 1.00 0.00 N ATOM 823 NH2 ARG A 53 -12.323 -7.541 6.767 1.00 0.00 N ATOM 0 H ARG A 53 -7.126 -4.802 2.647 1.00 0.00 H new ATOM 0 HA ARG A 53 -8.805 -4.304 0.372 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -10.413 -5.678 1.519 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -8.830 -6.408 1.704 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -8.729 -5.320 4.017 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -10.418 -4.907 3.805 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -10.744 -7.426 3.208 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -9.161 -7.657 3.922 1.00 0.00 H new ATOM 0 HE ARG A 53 -10.084 -6.739 6.053 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -12.366 -7.822 3.557 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -13.642 -8.179 4.726 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -11.708 -7.263 7.532 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -13.270 -7.864 6.966 1.00 0.00 H new ATOM 837 N GLU A 54 -9.083 -2.297 2.878 1.00 0.00 N ATOM 838 CA GLU A 54 -9.703 -1.055 3.320 1.00 0.00 C ATOM 839 C GLU A 54 -9.195 0.132 2.481 1.00 0.00 C ATOM 840 O GLU A 54 -9.906 1.117 2.291 1.00 0.00 O ATOM 841 CB GLU A 54 -9.410 -0.839 4.807 1.00 0.00 C ATOM 842 CG GLU A 54 -10.292 0.201 5.469 1.00 0.00 C ATOM 843 CD GLU A 54 -9.963 0.383 6.930 1.00 0.00 C ATOM 844 OE1 GLU A 54 -10.540 -0.333 7.765 1.00 0.00 O ATOM 845 OE2 GLU A 54 -9.125 1.241 7.252 1.00 0.00 O ATOM 0 H GLU A 54 -8.241 -2.550 3.395 1.00 0.00 H new ATOM 0 HA GLU A 54 -10.782 -1.123 3.180 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -9.530 -1.787 5.331 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -8.368 -0.541 4.921 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -10.178 1.154 4.952 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -11.336 -0.094 5.368 1.00 0.00 H new ATOM 852 N ALA A 55 -7.965 0.017 1.968 1.00 0.00 N ATOM 853 CA ALA A 55 -7.357 1.065 1.138 1.00 0.00 C ATOM 854 C ALA A 55 -7.779 0.953 -0.319 1.00 0.00 C ATOM 855 O ALA A 55 -7.836 1.952 -1.038 1.00 0.00 O ATOM 856 CB ALA A 55 -5.842 1.003 1.232 1.00 0.00 C ATOM 0 H ALA A 55 -7.367 -0.796 2.114 1.00 0.00 H new ATOM 0 HA ALA A 55 -7.711 2.022 1.521 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -5.407 1.786 0.611 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -5.535 1.149 2.268 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -5.495 0.030 0.884 1.00 0.00 H new ATOM 862 N ASP A 56 -8.061 -0.276 -0.735 1.00 0.00 N ATOM 863 CA ASP A 56 -8.414 -0.576 -2.105 1.00 0.00 C ATOM 864 C ASP A 56 -9.885 -0.295 -2.337 1.00 0.00 C ATOM 865 O ASP A 56 -10.770 -1.013 -1.859 1.00 0.00 O ATOM 866 CB ASP A 56 -8.082 -2.025 -2.444 1.00 0.00 C ATOM 867 CG ASP A 56 -7.729 -2.185 -3.898 1.00 0.00 C ATOM 868 OD1 ASP A 56 -6.652 -1.766 -4.297 1.00 0.00 O ATOM 869 OD2 ASP A 56 -8.536 -2.695 -4.658 1.00 0.00 O ATOM 0 H ASP A 56 -8.049 -1.092 -0.123 1.00 0.00 H new ATOM 0 HA ASP A 56 -7.828 0.066 -2.763 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -7.249 -2.362 -1.827 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -8.934 -2.660 -2.204 1.00 0.00 H new ATOM 874 N ILE A 57 -10.117 0.774 -3.071 1.00 0.00 N ATOM 875 CA ILE A 57 -11.443 1.281 -3.353 1.00 0.00 C ATOM 876 C ILE A 57 -12.133 0.443 -4.454 1.00 0.00 C ATOM 877 O ILE A 57 -13.337 0.201 -4.386 1.00 0.00 O ATOM 878 CB ILE A 57 -11.371 2.787 -3.768 1.00 0.00 C ATOM 879 CG1 ILE A 57 -10.606 3.623 -2.705 1.00 0.00 C ATOM 880 CG2 ILE A 57 -12.771 3.360 -3.988 1.00 0.00 C ATOM 881 CD1 ILE A 57 -10.513 5.105 -3.014 1.00 0.00 C ATOM 0 H ILE A 57 -9.372 1.326 -3.497 1.00 0.00 H new ATOM 0 HA ILE A 57 -12.041 1.199 -2.446 1.00 0.00 H new ATOM 0 HB ILE A 57 -10.823 2.846 -4.708 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -11.097 3.497 -1.740 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -9.597 3.222 -2.604 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -12.694 4.409 -4.276 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -13.272 2.802 -4.779 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -13.347 3.278 -3.066 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -9.963 5.609 -2.219 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -9.993 5.247 -3.961 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -11.516 5.526 -3.084 1.00 0.00 H new ATOM 893 N ASP A 58 -11.362 -0.044 -5.434 1.00 0.00 N ATOM 894 CA ASP A 58 -11.947 -0.745 -6.582 1.00 0.00 C ATOM 895 C ASP A 58 -12.050 -2.278 -6.379 1.00 0.00 C ATOM 896 O ASP A 58 -12.734 -2.953 -7.150 1.00 0.00 O ATOM 897 CB ASP A 58 -11.142 -0.436 -7.874 1.00 0.00 C ATOM 898 CG ASP A 58 -9.659 -0.792 -7.795 1.00 0.00 C ATOM 899 OD1 ASP A 58 -9.320 -1.857 -7.302 1.00 0.00 O ATOM 900 OD2 ASP A 58 -8.802 -0.002 -8.212 1.00 0.00 O ATOM 0 H ASP A 58 -10.345 0.033 -5.456 1.00 0.00 H new ATOM 0 HA ASP A 58 -12.966 -0.371 -6.680 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -11.590 -0.981 -8.705 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -11.236 0.626 -8.101 1.00 0.00 H new ATOM 905 N GLY A 59 -11.392 -2.798 -5.332 1.00 0.00 N ATOM 906 CA GLY A 59 -11.405 -4.232 -5.029 1.00 0.00 C ATOM 907 C GLY A 59 -10.662 -5.121 -6.042 1.00 0.00 C ATOM 908 O GLY A 59 -11.260 -6.039 -6.610 1.00 0.00 O ATOM 0 H GLY A 59 -10.842 -2.240 -4.679 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -10.963 -4.383 -4.044 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -12.441 -4.565 -4.968 1.00 0.00 H new ATOM 912 N ASP A 60 -9.374 -4.848 -6.281 1.00 0.00 N ATOM 913 CA ASP A 60 -8.533 -5.701 -7.142 1.00 0.00 C ATOM 914 C ASP A 60 -7.390 -6.369 -6.357 1.00 0.00 C ATOM 915 O ASP A 60 -6.781 -7.325 -6.837 1.00 0.00 O ATOM 916 CB ASP A 60 -7.956 -4.918 -8.357 1.00 0.00 C ATOM 917 CG ASP A 60 -7.160 -3.657 -8.005 1.00 0.00 C ATOM 918 OD1 ASP A 60 -6.689 -3.530 -6.892 1.00 0.00 O ATOM 919 OD2 ASP A 60 -7.051 -2.746 -8.831 1.00 0.00 O ATOM 0 H ASP A 60 -8.886 -4.042 -5.891 1.00 0.00 H new ATOM 0 HA ASP A 60 -9.190 -6.484 -7.521 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -7.311 -5.587 -8.927 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -8.781 -4.636 -9.012 1.00 0.00 H new ATOM 924 N GLY A 61 -7.104 -5.861 -5.155 1.00 0.00 N ATOM 925 CA GLY A 61 -6.026 -6.415 -4.338 1.00 0.00 C ATOM 926 C GLY A 61 -4.719 -5.617 -4.399 1.00 0.00 C ATOM 927 O GLY A 61 -3.801 -5.887 -3.618 1.00 0.00 O ATOM 0 H GLY A 61 -7.599 -5.076 -4.731 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -6.360 -6.466 -3.302 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -5.830 -7.438 -4.660 1.00 0.00 H new ATOM 931 N GLN A 62 -4.618 -4.651 -5.318 1.00 0.00 N ATOM 932 CA GLN A 62 -3.435 -3.790 -5.412 1.00 0.00 C ATOM 933 C GLN A 62 -3.845 -2.330 -5.415 1.00 0.00 C ATOM 934 O GLN A 62 -4.656 -1.873 -6.241 1.00 0.00 O ATOM 935 CB GLN A 62 -2.625 -4.026 -6.677 1.00 0.00 C ATOM 936 CG GLN A 62 -2.352 -5.483 -7.029 1.00 0.00 C ATOM 937 CD GLN A 62 -1.635 -5.656 -8.361 1.00 0.00 C ATOM 938 OE1 GLN A 62 -1.918 -4.785 -9.323 1.00 0.00 O flip ATOM 939 NE2 GLN A 62 -0.847 -6.581 -8.537 1.00 0.00 N flip ATOM 0 H GLN A 62 -5.341 -4.446 -6.007 1.00 0.00 H new ATOM 0 HA GLN A 62 -2.822 -4.038 -4.545 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -3.149 -3.562 -7.513 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -1.669 -3.512 -6.575 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -1.751 -5.934 -6.239 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -3.297 -6.025 -7.060 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -0.650 -7.234 -7.779 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -0.390 -6.696 -9.441 1.00 0.00 H new ATOM 948 N VAL A 63 -3.182 -1.592 -4.576 1.00 0.00 N ATOM 949 CA VAL A 63 -3.556 -0.239 -4.235 1.00 0.00 C ATOM 950 C VAL A 63 -2.829 0.724 -5.159 1.00 0.00 C ATOM 951 O VAL A 63 -1.610 0.862 -5.082 1.00 0.00 O ATOM 952 CB VAL A 63 -3.230 0.040 -2.736 1.00 0.00 C ATOM 953 CG1 VAL A 63 -3.577 1.459 -2.328 1.00 0.00 C ATOM 954 CG2 VAL A 63 -3.965 -0.944 -1.829 1.00 0.00 C ATOM 0 H VAL A 63 -2.344 -1.916 -4.094 1.00 0.00 H new ATOM 0 HA VAL A 63 -4.629 -0.098 -4.368 1.00 0.00 H new ATOM 0 HB VAL A 63 -2.154 -0.091 -2.621 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -3.332 1.605 -1.276 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -3.006 2.162 -2.935 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -4.643 1.631 -2.480 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -3.722 -0.730 -0.788 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -5.040 -0.844 -1.979 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -3.658 -1.961 -2.072 1.00 0.00 H new ATOM 964 N ASN A 64 -3.580 1.374 -6.050 1.00 0.00 N ATOM 965 CA ASN A 64 -2.997 2.284 -7.041 1.00 0.00 C ATOM 966 C ASN A 64 -2.554 3.580 -6.357 1.00 0.00 C ATOM 967 O ASN A 64 -2.639 3.717 -5.130 1.00 0.00 O ATOM 968 CB ASN A 64 -3.987 2.677 -8.171 1.00 0.00 C ATOM 969 CG ASN A 64 -5.019 1.638 -8.596 1.00 0.00 C ATOM 970 OD1 ASN A 64 -4.829 0.436 -8.487 1.00 0.00 O ATOM 971 ND2 ASN A 64 -6.138 2.119 -9.098 1.00 0.00 N ATOM 0 H ASN A 64 -4.595 1.288 -6.107 1.00 0.00 H new ATOM 0 HA ASN A 64 -2.159 1.746 -7.485 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -4.522 3.572 -7.853 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -3.403 2.950 -9.050 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -6.873 1.483 -9.407 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -6.269 3.127 -9.177 1.00 0.00 H new ATOM 978 N TYR A 65 -2.103 4.541 -7.160 1.00 0.00 N ATOM 979 CA TYR A 65 -1.754 5.868 -6.653 1.00 0.00 C ATOM 980 C TYR A 65 -2.989 6.540 -6.034 1.00 0.00 C ATOM 981 O TYR A 65 -2.941 6.993 -4.896 1.00 0.00 O ATOM 982 CB TYR A 65 -1.155 6.734 -7.780 1.00 0.00 C ATOM 983 CG TYR A 65 -1.029 8.204 -7.417 1.00 0.00 C ATOM 984 CD1 TYR A 65 -0.156 8.624 -6.421 1.00 0.00 C ATOM 985 CD2 TYR A 65 -1.820 9.162 -8.043 1.00 0.00 C ATOM 986 CE1 TYR A 65 -0.078 9.951 -6.060 1.00 0.00 C ATOM 987 CE2 TYR A 65 -1.737 10.493 -7.695 1.00 0.00 C ATOM 988 CZ TYR A 65 -0.873 10.883 -6.702 1.00 0.00 C ATOM 989 OH TYR A 65 -0.816 12.209 -6.338 1.00 0.00 O ATOM 0 H TYR A 65 -1.970 4.427 -8.165 1.00 0.00 H new ATOM 0 HA TYR A 65 -0.999 5.762 -5.874 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -0.170 6.347 -8.039 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -1.779 6.640 -8.669 1.00 0.00 H new ATOM 0 HD1 TYR A 65 0.471 7.899 -5.923 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -2.511 8.857 -8.815 1.00 0.00 H new ATOM 0 HE1 TYR A 65 0.601 10.262 -5.280 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -2.349 11.225 -8.201 1.00 0.00 H new ATOM 0 HH TYR A 65 -0.419 12.286 -5.445 1.00 0.00 H new ATOM 999 N GLU A 66 -4.092 6.523 -6.789 1.00 0.00 N ATOM 1000 CA GLU A 66 -5.372 7.115 -6.379 1.00 0.00 C ATOM 1001 C GLU A 66 -5.917 6.503 -5.073 1.00 0.00 C ATOM 1002 O GLU A 66 -6.353 7.229 -4.187 1.00 0.00 O ATOM 1003 CB GLU A 66 -6.392 6.960 -7.520 1.00 0.00 C ATOM 1004 CG GLU A 66 -6.447 5.552 -8.103 1.00 0.00 C ATOM 1005 CD GLU A 66 -7.446 5.398 -9.225 1.00 0.00 C ATOM 1006 OE1 GLU A 66 -7.076 5.619 -10.389 1.00 0.00 O ATOM 1007 OE2 GLU A 66 -8.595 5.020 -8.951 1.00 0.00 O ATOM 0 H GLU A 66 -4.123 6.093 -7.713 1.00 0.00 H new ATOM 0 HA GLU A 66 -5.202 8.172 -6.175 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -7.381 7.230 -7.151 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -6.145 7.664 -8.315 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -5.457 5.281 -8.470 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -6.695 4.849 -7.308 1.00 0.00 H new ATOM 1014 N GLU A 67 -5.814 5.176 -4.947 1.00 0.00 N ATOM 1015 CA GLU A 67 -6.348 4.434 -3.801 1.00 0.00 C ATOM 1016 C GLU A 67 -5.531 4.668 -2.535 1.00 0.00 C ATOM 1017 O GLU A 67 -6.083 4.710 -1.429 1.00 0.00 O ATOM 1018 CB GLU A 67 -6.381 2.953 -4.145 1.00 0.00 C ATOM 1019 CG GLU A 67 -7.444 2.612 -5.161 1.00 0.00 C ATOM 1020 CD GLU A 67 -7.435 1.159 -5.527 1.00 0.00 C ATOM 1021 OE1 GLU A 67 -6.427 0.659 -6.029 1.00 0.00 O ATOM 1022 OE2 GLU A 67 -8.442 0.492 -5.325 1.00 0.00 O ATOM 0 H GLU A 67 -5.356 4.584 -5.640 1.00 0.00 H new ATOM 0 HA GLU A 67 -7.356 4.795 -3.597 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -5.407 2.652 -4.530 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -6.556 2.377 -3.236 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -8.423 2.878 -4.763 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -7.291 3.212 -6.058 1.00 0.00 H new ATOM 1029 N PHE A 68 -4.218 4.838 -2.711 1.00 0.00 N ATOM 1030 CA PHE A 68 -3.316 5.104 -1.599 1.00 0.00 C ATOM 1031 C PHE A 68 -3.527 6.516 -1.067 1.00 0.00 C ATOM 1032 O PHE A 68 -3.556 6.712 0.139 1.00 0.00 O ATOM 1033 CB PHE A 68 -1.853 4.895 -2.024 1.00 0.00 C ATOM 1034 CG PHE A 68 -0.856 5.040 -0.903 1.00 0.00 C ATOM 1035 CD1 PHE A 68 -0.855 4.160 0.168 1.00 0.00 C ATOM 1036 CD2 PHE A 68 0.084 6.055 -0.925 1.00 0.00 C ATOM 1037 CE1 PHE A 68 0.062 4.294 1.189 1.00 0.00 C ATOM 1038 CE2 PHE A 68 1.004 6.192 0.093 1.00 0.00 C ATOM 1039 CZ PHE A 68 0.992 5.312 1.150 1.00 0.00 C ATOM 0 H PHE A 68 -3.759 4.795 -3.621 1.00 0.00 H new ATOM 0 HA PHE A 68 -3.540 4.399 -0.798 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -1.751 3.901 -2.459 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -1.608 5.612 -2.808 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -1.580 3.361 0.203 1.00 0.00 H new ATOM 0 HD2 PHE A 68 0.097 6.750 -1.751 1.00 0.00 H new ATOM 0 HE1 PHE A 68 0.052 3.602 2.019 1.00 0.00 H new ATOM 0 HE2 PHE A 68 1.732 6.989 0.060 1.00 0.00 H new ATOM 0 HZ PHE A 68 1.711 5.418 1.949 1.00 0.00 H new ATOM 1049 N VAL A 69 -3.729 7.479 -1.975 1.00 0.00 N ATOM 1050 CA VAL A 69 -3.908 8.880 -1.594 1.00 0.00 C ATOM 1051 C VAL A 69 -5.218 9.084 -0.843 1.00 0.00 C ATOM 1052 O VAL A 69 -5.227 9.779 0.169 1.00 0.00 O ATOM 1053 CB VAL A 69 -3.826 9.846 -2.813 1.00 0.00 C ATOM 1054 CG1 VAL A 69 -4.114 11.288 -2.417 1.00 0.00 C ATOM 1055 CG2 VAL A 69 -2.458 9.778 -3.453 1.00 0.00 C ATOM 0 H VAL A 69 -3.772 7.310 -2.980 1.00 0.00 H new ATOM 0 HA VAL A 69 -3.080 9.126 -0.929 1.00 0.00 H new ATOM 0 HB VAL A 69 -4.587 9.523 -3.524 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -4.046 11.927 -3.297 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -5.117 11.356 -1.995 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -3.385 11.614 -1.675 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -2.420 10.460 -4.303 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -1.700 10.064 -2.724 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -2.266 8.761 -3.795 1.00 0.00 H new ATOM 1065 N GLN A 70 -6.296 8.423 -1.286 1.00 0.00 N ATOM 1066 CA GLN A 70 -7.607 8.585 -0.660 1.00 0.00 C ATOM 1067 C GLN A 70 -7.628 7.991 0.748 1.00 0.00 C ATOM 1068 O GLN A 70 -8.309 8.501 1.629 1.00 0.00 O ATOM 1069 CB GLN A 70 -8.703 7.937 -1.509 1.00 0.00 C ATOM 1070 CG GLN A 70 -8.888 8.554 -2.893 1.00 0.00 C ATOM 1071 CD GLN A 70 -9.210 10.043 -2.890 1.00 0.00 C ATOM 1072 OE1 GLN A 70 -8.806 10.765 -3.800 1.00 0.00 O ATOM 1073 NE2 GLN A 70 -9.974 10.510 -1.914 1.00 0.00 N ATOM 0 H GLN A 70 -6.282 7.774 -2.073 1.00 0.00 H new ATOM 0 HA GLN A 70 -7.801 9.655 -0.588 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -8.474 6.878 -1.626 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -9.647 8.001 -0.969 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -7.978 8.394 -3.471 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -9.690 8.024 -3.408 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -10.293 9.886 -1.173 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -10.243 11.494 -1.903 1.00 0.00 H new ATOM 1082 N HIS A 71 -6.841 6.939 0.957 1.00 0.00 N ATOM 1083 CA HIS A 71 -6.755 6.286 2.256 1.00 0.00 C ATOM 1084 C HIS A 71 -5.768 7.014 3.191 1.00 0.00 C ATOM 1085 O HIS A 71 -5.871 6.905 4.404 1.00 0.00 O ATOM 1086 CB HIS A 71 -6.344 4.824 2.066 1.00 0.00 C ATOM 1087 CG HIS A 71 -6.578 3.972 3.276 1.00 0.00 C ATOM 1088 ND1 HIS A 71 -7.799 3.425 3.575 1.00 0.00 N ATOM 1089 CD2 HIS A 71 -5.739 3.595 4.272 1.00 0.00 C ATOM 1090 CE1 HIS A 71 -7.710 2.753 4.703 1.00 0.00 C ATOM 1091 NE2 HIS A 71 -6.470 2.835 5.151 1.00 0.00 N ATOM 0 H HIS A 71 -6.251 6.520 0.238 1.00 0.00 H new ATOM 0 HA HIS A 71 -7.736 6.326 2.729 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -6.898 4.406 1.225 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -5.287 4.784 1.803 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -4.692 3.846 4.358 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -8.518 2.222 5.184 1.00 0.00 H new ATOM 0 HE2 HIS A 71 -6.115 2.406 6.006 1.00 0.00 H new ATOM 1100 N MET A 72 -4.816 7.747 2.626 1.00 0.00 N ATOM 1101 CA MET A 72 -3.835 8.478 3.431 1.00 0.00 C ATOM 1102 C MET A 72 -4.362 9.844 3.861 1.00 0.00 C ATOM 1103 O MET A 72 -3.969 10.360 4.902 1.00 0.00 O ATOM 1104 CB MET A 72 -2.526 8.634 2.661 1.00 0.00 C ATOM 1105 CG MET A 72 -1.692 7.366 2.617 1.00 0.00 C ATOM 1106 SD MET A 72 -0.781 7.043 4.135 1.00 0.00 S ATOM 1107 CE MET A 72 0.602 8.165 3.932 1.00 0.00 C ATOM 0 H MET A 72 -4.700 7.853 1.618 1.00 0.00 H new ATOM 0 HA MET A 72 -3.651 7.896 4.334 1.00 0.00 H new ATOM 0 HB2 MET A 72 -2.749 8.948 1.641 1.00 0.00 H new ATOM 0 HB3 MET A 72 -1.938 9.430 3.118 1.00 0.00 H new ATOM 0 HG2 MET A 72 -2.346 6.519 2.410 1.00 0.00 H new ATOM 0 HG3 MET A 72 -0.987 7.435 1.789 1.00 0.00 H new ATOM 0 HE1 MET A 72 1.530 7.595 3.895 1.00 0.00 H new ATOM 0 HE2 MET A 72 0.483 8.726 3.005 1.00 0.00 H new ATOM 0 HE3 MET A 72 0.635 8.858 4.773 1.00 0.00 H new ATOM 1117 N THR A 73 -5.259 10.419 3.066 1.00 0.00 N ATOM 1118 CA THR A 73 -5.834 11.719 3.386 1.00 0.00 C ATOM 1119 C THR A 73 -7.071 11.582 4.277 1.00 0.00 C ATOM 1120 O THR A 73 -7.266 12.377 5.191 1.00 0.00 O ATOM 1121 CB THR A 73 -6.190 12.526 2.117 1.00 0.00 C ATOM 1122 OG1 THR A 73 -6.962 11.723 1.213 1.00 0.00 O ATOM 1123 CG2 THR A 73 -4.935 13.029 1.414 1.00 0.00 C ATOM 0 H THR A 73 -5.602 10.006 2.199 1.00 0.00 H new ATOM 0 HA THR A 73 -5.066 12.267 3.933 1.00 0.00 H new ATOM 0 HB THR A 73 -6.781 13.388 2.427 1.00 0.00 H new ATOM 0 HG1 THR A 73 -6.372 11.091 0.751 1.00 0.00 H new ATOM 0 HG21 THR A 73 -5.217 13.593 0.525 1.00 0.00 H new ATOM 0 HG22 THR A 73 -4.373 13.674 2.090 1.00 0.00 H new ATOM 0 HG23 THR A 73 -4.316 12.180 1.124 1.00 0.00 H new ATOM 1131 N ALA A 74 -7.889 10.557 4.024 1.00 0.00 N ATOM 1132 CA ALA A 74 -9.106 10.334 4.812 1.00 0.00 C ATOM 1133 C ALA A 74 -8.868 9.402 5.992 1.00 0.00 C ATOM 1134 O ALA A 74 -9.750 9.263 6.847 1.00 0.00 O ATOM 1135 CB ALA A 74 -10.207 9.752 3.960 1.00 0.00 C ATOM 0 H ALA A 74 -7.733 9.872 3.285 1.00 0.00 H new ATOM 0 HA ALA A 74 -9.402 11.312 5.190 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -11.097 9.597 4.571 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -10.440 10.440 3.147 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -9.881 8.798 3.546 1.00 0.00 H new ATOM 1141 N LYS A 75 -7.697 8.734 5.991 1.00 0.00 N ATOM 1142 CA LYS A 75 -7.227 7.892 7.105 1.00 0.00 C ATOM 1143 C LYS A 75 -8.079 6.626 7.270 1.00 0.00 C ATOM 1144 O LYS A 75 -7.985 5.693 6.466 1.00 0.00 O ATOM 1145 CB LYS A 75 -7.198 8.717 8.394 1.00 0.00 C ATOM 1146 CG LYS A 75 -6.662 7.986 9.623 1.00 0.00 C ATOM 1147 CD LYS A 75 -6.744 8.857 10.871 1.00 0.00 C ATOM 1148 CE LYS A 75 -8.182 9.229 11.199 1.00 0.00 C ATOM 1149 NZ LYS A 75 -8.275 10.149 12.356 1.00 0.00 N ATOM 0 H LYS A 75 -7.045 8.766 5.207 1.00 0.00 H new ATOM 0 HA LYS A 75 -6.216 7.554 6.876 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -6.588 9.605 8.225 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -8.210 9.061 8.609 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -7.231 7.070 9.780 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -5.627 7.693 9.450 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -6.303 8.327 11.715 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -6.158 9.764 10.722 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -8.642 9.696 10.328 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -8.750 8.323 11.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -9.273 10.374 12.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -7.861 9.695 13.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -7.756 11.025 12.145 1.00 0.00 H new TER 1163 LYS A 75 HETATM 1164 CA CA A 76 4.425 -2.482 -6.561 1.00 0.00 CA HETATM 1165 CA CA A 77 -7.245 -1.390 -6.546 1.00 0.00 CA