USER MOD reduce.3.24.130724 H: found=0, std=0, add=484, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 482 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-H: A 32 HIS HD1 : A 32 HIS ND1 : A 201 ZNZN :(H bumps) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 60:sc= 0.276 USER MOD Single : A 13 ASN : amide:sc= -0.078 K(o=-0.078,f=-0.73) USER MOD Single : A 16 SER OG : rot 180:sc= -0.857 USER MOD Single : A 21 THR OG1 : rot -21:sc= 0.457 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 34:sc= 0.244 USER MOD Single : A 30 GLN : amide:sc=-0.00339 X(o=-0.0034,f=-0.3) USER MOD Single : A 33 ASN :FLIP amide:sc= -1.52 F(o=-2.4!,f=-1.5) USER MOD Single : A 37 ASN : amide:sc= -3.42! C(o=-3.4!,f=-6!) USER MOD Single : A 39 LYS NZ :NH3+ -123:sc= -0.735! (180deg=-1.18!) USER MOD Single : A 40 LYS NZ :NH3+ -165:sc=-0.00594 (180deg=-0.118) USER MOD Single : A 42 SER OG : rot -58:sc= 0.0165 USER MOD Single : A 44 SER OG : rot 180:sc= -0.0579 USER MOD Single : A 52 THR OG1 : rot 46:sc= 0.295 USER MOD Single : A 64 LYS NZ :NH3+ 146:sc= 1.25 (180deg=-0.00889) USER MOD Single : A 67 SER OG : rot 180:sc=-0.000151 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot -84:sc= 0.0464 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 5.394 -28.141 6.055 1.00 0.00 N ATOM 2 CA GLY A 1 4.063 -27.806 6.528 1.00 0.00 C ATOM 3 C GLY A 1 3.493 -26.584 5.837 1.00 0.00 C ATOM 4 O GLY A 1 2.796 -26.701 4.829 1.00 0.00 O ATOM 0 H1 GLY A 1 5.739 -28.983 6.558 1.00 0.00 H new ATOM 0 H2 GLY A 1 5.361 -28.337 5.034 1.00 0.00 H new ATOM 0 H3 GLY A 1 6.037 -27.343 6.234 1.00 0.00 H new ATOM 0 HA2 GLY A 1 3.399 -28.655 6.365 1.00 0.00 H new ATOM 0 HA3 GLY A 1 4.097 -27.629 7.603 1.00 0.00 H new ATOM 8 N SER A 2 3.787 -25.407 6.380 1.00 0.00 N ATOM 9 CA SER A 2 3.293 -24.158 5.812 1.00 0.00 C ATOM 10 C SER A 2 4.450 -23.274 5.355 1.00 0.00 C ATOM 11 O SER A 2 4.903 -22.396 6.090 1.00 0.00 O ATOM 12 CB SER A 2 2.438 -23.409 6.836 1.00 0.00 C ATOM 13 OG SER A 2 1.250 -24.124 7.128 1.00 0.00 O ATOM 0 H SER A 2 4.365 -25.292 7.213 1.00 0.00 H new ATOM 0 HA SER A 2 2.679 -24.400 4.945 1.00 0.00 H new ATOM 0 HB2 SER A 2 3.010 -23.258 7.752 1.00 0.00 H new ATOM 0 HB3 SER A 2 2.186 -22.421 6.451 1.00 0.00 H new ATOM 0 HG SER A 2 0.722 -23.626 7.786 1.00 0.00 H new ATOM 19 N SER A 3 4.924 -23.513 4.137 1.00 0.00 N ATOM 20 CA SER A 3 6.031 -22.742 3.582 1.00 0.00 C ATOM 21 C SER A 3 5.719 -22.290 2.159 1.00 0.00 C ATOM 22 O SER A 3 4.701 -22.673 1.583 1.00 0.00 O ATOM 23 CB SER A 3 7.316 -23.573 3.595 1.00 0.00 C ATOM 24 OG SER A 3 8.460 -22.742 3.689 1.00 0.00 O ATOM 0 H SER A 3 4.559 -24.234 3.515 1.00 0.00 H new ATOM 0 HA SER A 3 6.172 -21.857 4.203 1.00 0.00 H new ATOM 0 HB2 SER A 3 7.296 -24.266 4.436 1.00 0.00 H new ATOM 0 HB3 SER A 3 7.373 -24.174 2.688 1.00 0.00 H new ATOM 0 HG SER A 3 9.268 -23.297 3.697 1.00 0.00 H new ATOM 30 N GLY A 4 6.604 -21.473 1.596 1.00 0.00 N ATOM 31 CA GLY A 4 6.406 -20.981 0.245 1.00 0.00 C ATOM 32 C GLY A 4 7.172 -19.701 -0.024 1.00 0.00 C ATOM 33 O GLY A 4 8.358 -19.737 -0.350 1.00 0.00 O ATOM 0 H GLY A 4 7.455 -21.143 2.052 1.00 0.00 H new ATOM 0 HA2 GLY A 4 6.720 -21.745 -0.466 1.00 0.00 H new ATOM 0 HA3 GLY A 4 5.343 -20.807 0.077 1.00 0.00 H new ATOM 37 N SER A 5 6.492 -18.567 0.112 1.00 0.00 N ATOM 38 CA SER A 5 7.115 -17.270 -0.125 1.00 0.00 C ATOM 39 C SER A 5 7.114 -16.427 1.147 1.00 0.00 C ATOM 40 O SER A 5 6.344 -16.682 2.073 1.00 0.00 O ATOM 41 CB SER A 5 6.384 -16.526 -1.244 1.00 0.00 C ATOM 42 OG SER A 5 6.882 -16.902 -2.516 1.00 0.00 O ATOM 0 H SER A 5 5.510 -18.520 0.385 1.00 0.00 H new ATOM 0 HA SER A 5 8.148 -17.440 -0.427 1.00 0.00 H new ATOM 0 HB2 SER A 5 5.317 -16.740 -1.190 1.00 0.00 H new ATOM 0 HB3 SER A 5 6.501 -15.451 -1.107 1.00 0.00 H new ATOM 0 HG SER A 5 6.398 -16.414 -3.214 1.00 0.00 H new ATOM 48 N SER A 6 7.983 -15.422 1.184 1.00 0.00 N ATOM 49 CA SER A 6 8.086 -14.543 2.343 1.00 0.00 C ATOM 50 C SER A 6 8.882 -13.286 2.002 1.00 0.00 C ATOM 51 O SER A 6 9.545 -13.219 0.968 1.00 0.00 O ATOM 52 CB SER A 6 8.747 -15.278 3.510 1.00 0.00 C ATOM 53 OG SER A 6 10.027 -15.765 3.147 1.00 0.00 O ATOM 0 H SER A 6 8.626 -15.196 0.425 1.00 0.00 H new ATOM 0 HA SER A 6 7.078 -14.246 2.634 1.00 0.00 H new ATOM 0 HB2 SER A 6 8.839 -14.605 4.362 1.00 0.00 H new ATOM 0 HB3 SER A 6 8.115 -16.108 3.826 1.00 0.00 H new ATOM 0 HG SER A 6 10.429 -16.229 3.911 1.00 0.00 H new ATOM 59 N GLY A 7 8.811 -12.292 2.882 1.00 0.00 N ATOM 60 CA GLY A 7 9.529 -11.050 2.658 1.00 0.00 C ATOM 61 C GLY A 7 8.651 -9.975 2.049 1.00 0.00 C ATOM 62 O GLY A 7 7.447 -9.928 2.303 1.00 0.00 O ATOM 0 H GLY A 7 8.269 -12.324 3.746 1.00 0.00 H new ATOM 0 HA2 GLY A 7 9.933 -10.692 3.605 1.00 0.00 H new ATOM 0 HA3 GLY A 7 10.377 -11.238 2.000 1.00 0.00 H new ATOM 66 N CYS A 8 9.254 -9.106 1.244 1.00 0.00 N ATOM 67 CA CYS A 8 8.521 -8.024 0.599 1.00 0.00 C ATOM 68 C CYS A 8 7.446 -8.576 -0.333 1.00 0.00 C ATOM 69 O CYS A 8 7.750 -9.135 -1.387 1.00 0.00 O ATOM 70 CB CYS A 8 9.480 -7.127 -0.186 1.00 0.00 C ATOM 71 SG CYS A 8 8.659 -6.037 -1.393 1.00 0.00 S ATOM 0 H CYS A 8 10.249 -9.131 1.023 1.00 0.00 H new ATOM 0 HA CYS A 8 8.036 -7.433 1.376 1.00 0.00 H new ATOM 0 HB2 CYS A 8 10.044 -6.514 0.517 1.00 0.00 H new ATOM 0 HB3 CYS A 8 10.200 -7.755 -0.711 1.00 0.00 H new ATOM 76 N ALA A 9 6.187 -8.414 0.063 1.00 0.00 N ATOM 77 CA ALA A 9 5.067 -8.893 -0.737 1.00 0.00 C ATOM 78 C ALA A 9 5.120 -8.326 -2.152 1.00 0.00 C ATOM 79 O ALA A 9 4.700 -8.976 -3.108 1.00 0.00 O ATOM 80 CB ALA A 9 3.749 -8.530 -0.070 1.00 0.00 C ATOM 0 H ALA A 9 5.918 -7.955 0.933 1.00 0.00 H new ATOM 0 HA ALA A 9 5.140 -9.978 -0.806 1.00 0.00 H new ATOM 0 HB1 ALA A 9 2.921 -8.894 -0.678 1.00 0.00 H new ATOM 0 HB2 ALA A 9 3.703 -8.989 0.918 1.00 0.00 H new ATOM 0 HB3 ALA A 9 3.678 -7.447 0.029 1.00 0.00 H new ATOM 86 N GLY A 10 5.640 -7.109 -2.277 1.00 0.00 N ATOM 87 CA GLY A 10 5.737 -6.474 -3.579 1.00 0.00 C ATOM 88 C GLY A 10 6.471 -7.333 -4.589 1.00 0.00 C ATOM 89 O GLY A 10 5.852 -7.959 -5.450 1.00 0.00 O ATOM 0 H GLY A 10 5.996 -6.551 -1.501 1.00 0.00 H new ATOM 0 HA2 GLY A 10 4.735 -6.258 -3.950 1.00 0.00 H new ATOM 0 HA3 GLY A 10 6.252 -5.519 -3.477 1.00 0.00 H new ATOM 93 N CYS A 11 7.796 -7.364 -4.486 1.00 0.00 N ATOM 94 CA CYS A 11 8.617 -8.150 -5.399 1.00 0.00 C ATOM 95 C CYS A 11 8.810 -9.569 -4.871 1.00 0.00 C ATOM 96 O CYS A 11 9.781 -10.244 -5.213 1.00 0.00 O ATOM 97 CB CYS A 11 9.977 -7.480 -5.602 1.00 0.00 C ATOM 98 SG CYS A 11 10.891 -7.172 -4.056 1.00 0.00 S ATOM 0 H CYS A 11 8.324 -6.853 -3.778 1.00 0.00 H new ATOM 0 HA CYS A 11 8.101 -8.204 -6.357 1.00 0.00 H new ATOM 0 HB2 CYS A 11 10.586 -8.107 -6.253 1.00 0.00 H new ATOM 0 HB3 CYS A 11 9.830 -6.532 -6.120 1.00 0.00 H new ATOM 103 N THR A 12 7.878 -10.016 -4.035 1.00 0.00 N ATOM 104 CA THR A 12 7.945 -11.353 -3.459 1.00 0.00 C ATOM 105 C THR A 12 9.390 -11.778 -3.224 1.00 0.00 C ATOM 106 O THR A 12 9.808 -12.852 -3.655 1.00 0.00 O ATOM 107 CB THR A 12 7.257 -12.391 -4.366 1.00 0.00 C ATOM 108 OG1 THR A 12 7.944 -12.478 -5.619 1.00 0.00 O ATOM 109 CG2 THR A 12 5.801 -12.020 -4.605 1.00 0.00 C ATOM 0 H THR A 12 7.067 -9.471 -3.742 1.00 0.00 H new ATOM 0 HA THR A 12 7.421 -11.313 -2.504 1.00 0.00 H new ATOM 0 HB THR A 12 7.291 -13.358 -3.865 1.00 0.00 H new ATOM 0 HG1 THR A 12 8.871 -12.756 -5.465 1.00 0.00 H new ATOM 0 HG21 THR A 12 5.336 -12.767 -5.248 1.00 0.00 H new ATOM 0 HG22 THR A 12 5.274 -11.983 -3.652 1.00 0.00 H new ATOM 0 HG23 THR A 12 5.749 -11.044 -5.087 1.00 0.00 H new ATOM 117 N ASN A 13 10.148 -10.929 -2.538 1.00 0.00 N ATOM 118 CA ASN A 13 11.547 -11.218 -2.245 1.00 0.00 C ATOM 119 C ASN A 13 11.858 -10.968 -0.773 1.00 0.00 C ATOM 120 O ASN A 13 11.131 -10.266 -0.070 1.00 0.00 O ATOM 121 CB ASN A 13 12.461 -10.361 -3.124 1.00 0.00 C ATOM 122 CG ASN A 13 12.804 -11.039 -4.436 1.00 0.00 C ATOM 123 OD1 ASN A 13 13.064 -12.242 -4.476 1.00 0.00 O ATOM 124 ND2 ASN A 13 12.807 -10.269 -5.517 1.00 0.00 N ATOM 0 H ASN A 13 9.817 -10.035 -2.175 1.00 0.00 H new ATOM 0 HA ASN A 13 11.728 -12.271 -2.462 1.00 0.00 H new ATOM 0 HB2 ASN A 13 11.974 -9.407 -3.328 1.00 0.00 H new ATOM 0 HB3 ASN A 13 13.380 -10.141 -2.581 1.00 0.00 H new ATOM 0 HD21 ASN A 13 13.031 -10.670 -6.428 1.00 0.00 H new ATOM 0 HD22 ASN A 13 12.585 -9.277 -5.437 1.00 0.00 H new ATOM 131 N PRO A 14 12.965 -11.555 -0.294 1.00 0.00 N ATOM 132 CA PRO A 14 13.398 -11.410 1.099 1.00 0.00 C ATOM 133 C PRO A 14 13.893 -10.001 1.408 1.00 0.00 C ATOM 134 O PRO A 14 14.603 -9.393 0.607 1.00 0.00 O ATOM 135 CB PRO A 14 14.543 -12.418 1.221 1.00 0.00 C ATOM 136 CG PRO A 14 15.065 -12.568 -0.166 1.00 0.00 C ATOM 137 CD PRO A 14 13.878 -12.405 -1.075 1.00 0.00 C ATOM 0 HA PRO A 14 12.582 -11.585 1.800 1.00 0.00 H new ATOM 0 HB2 PRO A 14 15.317 -12.058 1.899 1.00 0.00 H new ATOM 0 HB3 PRO A 14 14.191 -13.371 1.617 1.00 0.00 H new ATOM 0 HG2 PRO A 14 15.826 -11.818 -0.380 1.00 0.00 H new ATOM 0 HG3 PRO A 14 15.531 -13.543 -0.304 1.00 0.00 H new ATOM 0 HD2 PRO A 14 14.156 -11.935 -2.019 1.00 0.00 H new ATOM 0 HD3 PRO A 14 13.423 -13.365 -1.319 1.00 0.00 H new ATOM 145 N ILE A 15 13.514 -9.488 2.574 1.00 0.00 N ATOM 146 CA ILE A 15 13.922 -8.152 2.989 1.00 0.00 C ATOM 147 C ILE A 15 15.040 -8.214 4.024 1.00 0.00 C ATOM 148 O ILE A 15 15.167 -9.195 4.757 1.00 0.00 O ATOM 149 CB ILE A 15 12.738 -7.359 3.575 1.00 0.00 C ATOM 150 CG1 ILE A 15 11.625 -7.219 2.535 1.00 0.00 C ATOM 151 CG2 ILE A 15 13.202 -5.990 4.050 1.00 0.00 C ATOM 152 CD1 ILE A 15 10.289 -6.830 3.128 1.00 0.00 C ATOM 0 H ILE A 15 12.925 -9.978 3.248 1.00 0.00 H new ATOM 0 HA ILE A 15 14.285 -7.642 2.097 1.00 0.00 H new ATOM 0 HB ILE A 15 12.342 -7.905 4.431 1.00 0.00 H new ATOM 0 HG12 ILE A 15 11.919 -6.470 1.799 1.00 0.00 H new ATOM 0 HG13 ILE A 15 11.516 -8.164 2.002 1.00 0.00 H new ATOM 0 HG21 ILE A 15 12.355 -5.441 4.461 1.00 0.00 H new ATOM 0 HG22 ILE A 15 13.964 -6.111 4.820 1.00 0.00 H new ATOM 0 HG23 ILE A 15 13.620 -5.436 3.210 1.00 0.00 H new ATOM 0 HD11 ILE A 15 9.548 -6.749 2.333 1.00 0.00 H new ATOM 0 HD12 ILE A 15 9.973 -7.590 3.843 1.00 0.00 H new ATOM 0 HD13 ILE A 15 10.382 -5.870 3.636 1.00 0.00 H new ATOM 164 N SER A 16 15.846 -7.159 4.080 1.00 0.00 N ATOM 165 CA SER A 16 16.956 -7.094 5.025 1.00 0.00 C ATOM 166 C SER A 16 18.068 -8.058 4.623 1.00 0.00 C ATOM 167 O SER A 16 18.629 -8.761 5.462 1.00 0.00 O ATOM 168 CB SER A 16 16.469 -7.420 6.438 1.00 0.00 C ATOM 169 OG SER A 16 17.359 -6.909 7.415 1.00 0.00 O ATOM 0 H SER A 16 15.752 -6.338 3.483 1.00 0.00 H new ATOM 0 HA SER A 16 17.355 -6.080 5.011 1.00 0.00 H new ATOM 0 HB2 SER A 16 15.476 -6.998 6.590 1.00 0.00 H new ATOM 0 HB3 SER A 16 16.377 -8.500 6.554 1.00 0.00 H new ATOM 0 HG SER A 16 17.024 -7.129 8.309 1.00 0.00 H new ATOM 175 N GLY A 17 18.383 -8.084 3.331 1.00 0.00 N ATOM 176 CA GLY A 17 19.426 -8.964 2.839 1.00 0.00 C ATOM 177 C GLY A 17 20.647 -8.974 3.738 1.00 0.00 C ATOM 178 O GLY A 17 21.158 -10.038 4.090 1.00 0.00 O ATOM 0 H GLY A 17 17.934 -7.511 2.617 1.00 0.00 H new ATOM 0 HA2 GLY A 17 19.033 -9.977 2.754 1.00 0.00 H new ATOM 0 HA3 GLY A 17 19.719 -8.651 1.837 1.00 0.00 H new ATOM 182 N LEU A 18 21.117 -7.789 4.109 1.00 0.00 N ATOM 183 CA LEU A 18 22.287 -7.665 4.972 1.00 0.00 C ATOM 184 C LEU A 18 21.873 -7.426 6.420 1.00 0.00 C ATOM 185 O LEU A 18 22.378 -8.075 7.336 1.00 0.00 O ATOM 186 CB LEU A 18 23.182 -6.522 4.490 1.00 0.00 C ATOM 187 CG LEU A 18 24.567 -6.438 5.131 1.00 0.00 C ATOM 188 CD1 LEU A 18 25.506 -7.459 4.507 1.00 0.00 C ATOM 189 CD2 LEU A 18 25.136 -5.033 4.991 1.00 0.00 C ATOM 0 H LEU A 18 20.706 -6.899 3.826 1.00 0.00 H new ATOM 0 HA LEU A 18 22.845 -8.600 4.923 1.00 0.00 H new ATOM 0 HB2 LEU A 18 23.308 -6.616 3.411 1.00 0.00 H new ATOM 0 HB3 LEU A 18 22.663 -5.580 4.669 1.00 0.00 H new ATOM 0 HG LEU A 18 24.469 -6.665 6.193 1.00 0.00 H new ATOM 0 HD11 LEU A 18 26.487 -7.385 4.976 1.00 0.00 H new ATOM 0 HD12 LEU A 18 25.106 -8.462 4.659 1.00 0.00 H new ATOM 0 HD13 LEU A 18 25.598 -7.263 3.439 1.00 0.00 H new ATOM 0 HD21 LEU A 18 26.122 -4.992 5.453 1.00 0.00 H new ATOM 0 HD22 LEU A 18 25.219 -4.778 3.935 1.00 0.00 H new ATOM 0 HD23 LEU A 18 24.474 -4.322 5.485 1.00 0.00 H new ATOM 201 N GLY A 19 20.949 -6.492 6.620 1.00 0.00 N ATOM 202 CA GLY A 19 20.481 -6.185 7.959 1.00 0.00 C ATOM 203 C GLY A 19 20.422 -4.694 8.226 1.00 0.00 C ATOM 204 O GLY A 19 21.387 -4.104 8.709 1.00 0.00 O ATOM 0 H GLY A 19 20.516 -5.942 5.878 1.00 0.00 H new ATOM 0 HA2 GLY A 19 19.490 -6.616 8.102 1.00 0.00 H new ATOM 0 HA3 GLY A 19 21.141 -6.655 8.688 1.00 0.00 H new ATOM 208 N GLY A 20 19.285 -4.082 7.909 1.00 0.00 N ATOM 209 CA GLY A 20 19.125 -2.656 8.122 1.00 0.00 C ATOM 210 C GLY A 20 18.568 -1.946 6.905 1.00 0.00 C ATOM 211 O GLY A 20 19.292 -1.679 5.945 1.00 0.00 O ATOM 0 H GLY A 20 18.472 -4.549 7.508 1.00 0.00 H new ATOM 0 HA2 GLY A 20 18.461 -2.491 8.970 1.00 0.00 H new ATOM 0 HA3 GLY A 20 20.090 -2.220 8.383 1.00 0.00 H new ATOM 215 N THR A 21 17.274 -1.639 6.941 1.00 0.00 N ATOM 216 CA THR A 21 16.619 -0.959 5.832 1.00 0.00 C ATOM 217 C THR A 21 15.302 -0.331 6.273 1.00 0.00 C ATOM 218 O THR A 21 14.675 -0.785 7.230 1.00 0.00 O ATOM 219 CB THR A 21 16.348 -1.924 4.662 1.00 0.00 C ATOM 220 OG1 THR A 21 17.564 -2.571 4.270 1.00 0.00 O ATOM 221 CG2 THR A 21 15.758 -1.180 3.473 1.00 0.00 C ATOM 0 H THR A 21 16.660 -1.851 7.727 1.00 0.00 H new ATOM 0 HA THR A 21 17.298 -0.175 5.497 1.00 0.00 H new ATOM 0 HB THR A 21 15.629 -2.672 4.996 1.00 0.00 H new ATOM 0 HG1 THR A 21 18.330 -2.038 4.570 1.00 0.00 H new ATOM 0 HG21 THR A 21 15.575 -1.882 2.659 1.00 0.00 H new ATOM 0 HG22 THR A 21 14.818 -0.712 3.767 1.00 0.00 H new ATOM 0 HG23 THR A 21 16.457 -0.413 3.140 1.00 0.00 H new ATOM 229 N LYS A 22 14.885 0.716 5.568 1.00 0.00 N ATOM 230 CA LYS A 22 13.640 1.406 5.885 1.00 0.00 C ATOM 231 C LYS A 22 12.450 0.705 5.238 1.00 0.00 C ATOM 232 O LYS A 22 11.400 1.312 5.026 1.00 0.00 O ATOM 233 CB LYS A 22 13.706 2.861 5.415 1.00 0.00 C ATOM 234 CG LYS A 22 14.750 3.688 6.143 1.00 0.00 C ATOM 235 CD LYS A 22 15.194 4.881 5.314 1.00 0.00 C ATOM 236 CE LYS A 22 16.132 5.787 6.097 1.00 0.00 C ATOM 237 NZ LYS A 22 17.503 5.215 6.195 1.00 0.00 N ATOM 0 H LYS A 22 15.392 1.105 4.773 1.00 0.00 H new ATOM 0 HA LYS A 22 13.507 1.386 6.967 1.00 0.00 H new ATOM 0 HB2 LYS A 22 13.920 2.879 4.346 1.00 0.00 H new ATOM 0 HB3 LYS A 22 12.728 3.323 5.552 1.00 0.00 H new ATOM 0 HG2 LYS A 22 14.343 4.035 7.093 1.00 0.00 H new ATOM 0 HG3 LYS A 22 15.613 3.064 6.375 1.00 0.00 H new ATOM 0 HD2 LYS A 22 15.694 4.532 4.411 1.00 0.00 H new ATOM 0 HD3 LYS A 22 14.320 5.449 4.995 1.00 0.00 H new ATOM 0 HE2 LYS A 22 16.180 6.764 5.615 1.00 0.00 H new ATOM 0 HE3 LYS A 22 15.732 5.945 7.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 18.111 5.862 6.736 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 17.461 4.295 6.677 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 17.895 5.088 5.240 1.00 0.00 H new ATOM 251 N TYR A 23 12.620 -0.576 4.929 1.00 0.00 N ATOM 252 CA TYR A 23 11.559 -1.359 4.306 1.00 0.00 C ATOM 253 C TYR A 23 10.227 -1.133 5.014 1.00 0.00 C ATOM 254 O TYR A 23 10.191 -0.763 6.188 1.00 0.00 O ATOM 255 CB TYR A 23 11.915 -2.847 4.327 1.00 0.00 C ATOM 256 CG TYR A 23 11.823 -3.472 5.701 1.00 0.00 C ATOM 257 CD1 TYR A 23 12.812 -3.256 6.652 1.00 0.00 C ATOM 258 CD2 TYR A 23 10.746 -4.278 6.048 1.00 0.00 C ATOM 259 CE1 TYR A 23 12.733 -3.825 7.908 1.00 0.00 C ATOM 260 CE2 TYR A 23 10.657 -4.851 7.302 1.00 0.00 C ATOM 261 CZ TYR A 23 11.653 -4.622 8.228 1.00 0.00 C ATOM 262 OH TYR A 23 11.569 -5.190 9.479 1.00 0.00 O ATOM 0 H TYR A 23 13.482 -1.094 5.100 1.00 0.00 H new ATOM 0 HA TYR A 23 11.460 -1.030 3.271 1.00 0.00 H new ATOM 0 HB2 TYR A 23 11.249 -3.381 3.649 1.00 0.00 H new ATOM 0 HB3 TYR A 23 12.928 -2.975 3.946 1.00 0.00 H new ATOM 0 HD1 TYR A 23 13.658 -2.632 6.405 1.00 0.00 H new ATOM 0 HD2 TYR A 23 9.965 -4.460 5.325 1.00 0.00 H new ATOM 0 HE1 TYR A 23 13.512 -3.647 8.635 1.00 0.00 H new ATOM 0 HE2 TYR A 23 9.812 -5.475 7.556 1.00 0.00 H new ATOM 0 HH TYR A 23 10.748 -5.721 9.543 1.00 0.00 H new ATOM 272 N ILE A 24 9.135 -1.360 4.293 1.00 0.00 N ATOM 273 CA ILE A 24 7.800 -1.183 4.851 1.00 0.00 C ATOM 274 C ILE A 24 7.355 -2.426 5.615 1.00 0.00 C ATOM 275 O ILE A 24 7.140 -3.485 5.026 1.00 0.00 O ATOM 276 CB ILE A 24 6.767 -0.872 3.753 1.00 0.00 C ATOM 277 CG1 ILE A 24 7.143 0.416 3.018 1.00 0.00 C ATOM 278 CG2 ILE A 24 5.374 -0.757 4.354 1.00 0.00 C ATOM 279 CD1 ILE A 24 8.342 0.263 2.108 1.00 0.00 C ATOM 0 H ILE A 24 9.148 -1.667 3.320 1.00 0.00 H new ATOM 0 HA ILE A 24 7.854 -0.337 5.537 1.00 0.00 H new ATOM 0 HB ILE A 24 6.766 -1.691 3.034 1.00 0.00 H new ATOM 0 HG12 ILE A 24 6.290 0.751 2.428 1.00 0.00 H new ATOM 0 HG13 ILE A 24 7.350 1.196 3.751 1.00 0.00 H new ATOM 0 HG21 ILE A 24 4.655 -0.537 3.565 1.00 0.00 H new ATOM 0 HG22 ILE A 24 5.107 -1.697 4.837 1.00 0.00 H new ATOM 0 HG23 ILE A 24 5.361 0.046 5.091 1.00 0.00 H new ATOM 0 HD11 ILE A 24 8.552 1.215 1.619 1.00 0.00 H new ATOM 0 HD12 ILE A 24 9.208 -0.042 2.695 1.00 0.00 H new ATOM 0 HD13 ILE A 24 8.131 -0.494 1.353 1.00 0.00 H new ATOM 291 N SER A 25 7.217 -2.288 6.930 1.00 0.00 N ATOM 292 CA SER A 25 6.800 -3.400 7.776 1.00 0.00 C ATOM 293 C SER A 25 5.383 -3.182 8.299 1.00 0.00 C ATOM 294 O SER A 25 5.108 -2.201 8.990 1.00 0.00 O ATOM 295 CB SER A 25 7.768 -3.569 8.948 1.00 0.00 C ATOM 296 OG SER A 25 7.925 -2.353 9.659 1.00 0.00 O ATOM 0 H SER A 25 7.388 -1.417 7.432 1.00 0.00 H new ATOM 0 HA SER A 25 6.811 -4.308 7.172 1.00 0.00 H new ATOM 0 HB2 SER A 25 7.398 -4.342 9.621 1.00 0.00 H new ATOM 0 HB3 SER A 25 8.737 -3.905 8.578 1.00 0.00 H new ATOM 0 HG SER A 25 7.080 -1.856 9.648 1.00 0.00 H new ATOM 302 N PHE A 26 4.487 -4.104 7.964 1.00 0.00 N ATOM 303 CA PHE A 26 3.098 -4.014 8.399 1.00 0.00 C ATOM 304 C PHE A 26 2.766 -5.122 9.394 1.00 0.00 C ATOM 305 O PHE A 26 3.586 -6.002 9.654 1.00 0.00 O ATOM 306 CB PHE A 26 2.158 -4.096 7.194 1.00 0.00 C ATOM 307 CG PHE A 26 0.744 -3.700 7.509 1.00 0.00 C ATOM 308 CD1 PHE A 26 0.468 -2.477 8.100 1.00 0.00 C ATOM 309 CD2 PHE A 26 -0.310 -4.551 7.215 1.00 0.00 C ATOM 310 CE1 PHE A 26 -0.833 -2.110 8.391 1.00 0.00 C ATOM 311 CE2 PHE A 26 -1.612 -4.188 7.503 1.00 0.00 C ATOM 312 CZ PHE A 26 -1.874 -2.967 8.093 1.00 0.00 C ATOM 0 H PHE A 26 4.698 -4.922 7.393 1.00 0.00 H new ATOM 0 HA PHE A 26 2.960 -3.053 8.894 1.00 0.00 H new ATOM 0 HB2 PHE A 26 2.539 -3.452 6.401 1.00 0.00 H new ATOM 0 HB3 PHE A 26 2.164 -5.115 6.807 1.00 0.00 H new ATOM 0 HD1 PHE A 26 1.278 -1.803 8.336 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -0.112 -5.508 6.756 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -1.035 -1.154 8.851 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -2.425 -4.859 7.267 1.00 0.00 H new ATOM 0 HZ PHE A 26 -2.891 -2.683 8.321 1.00 0.00 H new ATOM 322 N GLU A 27 1.558 -5.072 9.946 1.00 0.00 N ATOM 323 CA GLU A 27 1.118 -6.070 10.913 1.00 0.00 C ATOM 324 C GLU A 27 1.721 -7.436 10.597 1.00 0.00 C ATOM 325 O GLU A 27 2.335 -8.068 11.455 1.00 0.00 O ATOM 326 CB GLU A 27 -0.409 -6.165 10.923 1.00 0.00 C ATOM 327 CG GLU A 27 -1.096 -4.875 11.336 1.00 0.00 C ATOM 328 CD GLU A 27 -0.599 -4.350 12.669 1.00 0.00 C ATOM 329 OE1 GLU A 27 0.557 -3.881 12.729 1.00 0.00 O ATOM 330 OE2 GLU A 27 -1.366 -4.407 13.653 1.00 0.00 O ATOM 0 H GLU A 27 0.867 -4.351 9.740 1.00 0.00 H new ATOM 0 HA GLU A 27 1.462 -5.759 11.899 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -0.754 -6.448 9.928 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -0.711 -6.961 11.603 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -0.932 -4.119 10.568 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -2.171 -5.043 11.394 1.00 0.00 H new ATOM 337 N GLU A 28 1.539 -7.884 9.358 1.00 0.00 N ATOM 338 CA GLU A 28 2.064 -9.176 8.930 1.00 0.00 C ATOM 339 C GLU A 28 2.786 -9.052 7.591 1.00 0.00 C ATOM 340 O GLU A 28 3.871 -9.603 7.405 1.00 0.00 O ATOM 341 CB GLU A 28 0.933 -10.200 8.819 1.00 0.00 C ATOM 342 CG GLU A 28 0.161 -10.396 10.113 1.00 0.00 C ATOM 343 CD GLU A 28 -0.734 -11.620 10.078 1.00 0.00 C ATOM 344 OE1 GLU A 28 -0.272 -12.680 9.609 1.00 0.00 O ATOM 345 OE2 GLU A 28 -1.897 -11.516 10.521 1.00 0.00 O ATOM 0 H GLU A 28 1.033 -7.373 8.635 1.00 0.00 H new ATOM 0 HA GLU A 28 2.779 -9.516 9.679 1.00 0.00 H new ATOM 0 HB2 GLU A 28 0.242 -9.883 8.038 1.00 0.00 H new ATOM 0 HB3 GLU A 28 1.350 -11.157 8.506 1.00 0.00 H new ATOM 0 HG2 GLU A 28 0.864 -10.488 10.941 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -0.446 -9.512 10.307 1.00 0.00 H new ATOM 352 N ARG A 29 2.175 -8.325 6.661 1.00 0.00 N ATOM 353 CA ARG A 29 2.758 -8.130 5.339 1.00 0.00 C ATOM 354 C ARG A 29 3.861 -7.077 5.381 1.00 0.00 C ATOM 355 O ARG A 29 3.965 -6.312 6.339 1.00 0.00 O ATOM 356 CB ARG A 29 1.678 -7.713 4.339 1.00 0.00 C ATOM 357 CG ARG A 29 0.773 -8.856 3.907 1.00 0.00 C ATOM 358 CD ARG A 29 0.106 -8.564 2.572 1.00 0.00 C ATOM 359 NE ARG A 29 -1.072 -9.401 2.355 1.00 0.00 N ATOM 360 CZ ARG A 29 -1.884 -9.270 1.312 1.00 0.00 C ATOM 361 NH1 ARG A 29 -1.647 -8.341 0.396 1.00 0.00 N ATOM 362 NH2 ARG A 29 -2.935 -10.069 1.184 1.00 0.00 N ATOM 0 H ARG A 29 1.277 -7.862 6.799 1.00 0.00 H new ATOM 0 HA ARG A 29 3.195 -9.076 5.019 1.00 0.00 H new ATOM 0 HB2 ARG A 29 1.068 -6.926 4.783 1.00 0.00 H new ATOM 0 HB3 ARG A 29 2.156 -7.287 3.457 1.00 0.00 H new ATOM 0 HG2 ARG A 29 1.356 -9.774 3.831 1.00 0.00 H new ATOM 0 HG3 ARG A 29 0.010 -9.025 4.667 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -0.183 -7.514 2.533 1.00 0.00 H new ATOM 0 HD3 ARG A 29 0.821 -8.728 1.766 1.00 0.00 H new ATOM 0 HE ARG A 29 -1.282 -10.125 3.042 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -0.840 -7.725 0.491 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -2.272 -8.242 -0.404 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -3.120 -10.785 1.887 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -3.558 -9.968 0.383 1.00 0.00 H new ATOM 376 N GLN A 30 4.682 -7.045 4.336 1.00 0.00 N ATOM 377 CA GLN A 30 5.778 -6.087 4.254 1.00 0.00 C ATOM 378 C GLN A 30 6.018 -5.656 2.812 1.00 0.00 C ATOM 379 O GLN A 30 5.430 -6.209 1.882 1.00 0.00 O ATOM 380 CB GLN A 30 7.056 -6.692 4.838 1.00 0.00 C ATOM 381 CG GLN A 30 6.887 -7.226 6.251 1.00 0.00 C ATOM 382 CD GLN A 30 8.168 -7.811 6.811 1.00 0.00 C ATOM 383 OE1 GLN A 30 8.907 -8.504 6.110 1.00 0.00 O ATOM 384 NE2 GLN A 30 8.440 -7.534 8.081 1.00 0.00 N ATOM 0 H GLN A 30 4.609 -7.672 3.534 1.00 0.00 H new ATOM 0 HA GLN A 30 5.502 -5.207 4.835 1.00 0.00 H new ATOM 0 HB2 GLN A 30 7.393 -7.502 4.191 1.00 0.00 H new ATOM 0 HB3 GLN A 30 7.840 -5.935 4.836 1.00 0.00 H new ATOM 0 HG2 GLN A 30 6.545 -6.421 6.901 1.00 0.00 H new ATOM 0 HG3 GLN A 30 6.110 -7.991 6.256 1.00 0.00 H new ATOM 0 HE21 GLN A 30 7.800 -6.956 8.625 1.00 0.00 H new ATOM 0 HE22 GLN A 30 9.289 -7.900 8.512 1.00 0.00 H new ATOM 393 N TRP A 31 6.884 -4.665 2.632 1.00 0.00 N ATOM 394 CA TRP A 31 7.201 -4.159 1.301 1.00 0.00 C ATOM 395 C TRP A 31 8.495 -3.352 1.320 1.00 0.00 C ATOM 396 O TRP A 31 9.173 -3.272 2.344 1.00 0.00 O ATOM 397 CB TRP A 31 6.054 -3.295 0.775 1.00 0.00 C ATOM 398 CG TRP A 31 4.800 -4.071 0.508 1.00 0.00 C ATOM 399 CD1 TRP A 31 4.454 -4.694 -0.657 1.00 0.00 C ATOM 400 CD2 TRP A 31 3.725 -4.305 1.425 1.00 0.00 C ATOM 401 NE1 TRP A 31 3.229 -5.301 -0.520 1.00 0.00 N ATOM 402 CE2 TRP A 31 2.761 -5.078 0.748 1.00 0.00 C ATOM 403 CE3 TRP A 31 3.484 -3.939 2.752 1.00 0.00 C ATOM 404 CZ2 TRP A 31 1.577 -5.488 1.355 1.00 0.00 C ATOM 405 CZ3 TRP A 31 2.308 -4.347 3.352 1.00 0.00 C ATOM 406 CH2 TRP A 31 1.367 -5.116 2.654 1.00 0.00 C ATOM 0 H TRP A 31 7.379 -4.196 3.391 1.00 0.00 H new ATOM 0 HA TRP A 31 7.337 -5.013 0.637 1.00 0.00 H new ATOM 0 HB2 TRP A 31 5.839 -2.509 1.499 1.00 0.00 H new ATOM 0 HB3 TRP A 31 6.371 -2.803 -0.145 1.00 0.00 H new ATOM 0 HD1 TRP A 31 5.055 -4.708 -1.554 1.00 0.00 H new ATOM 0 HE1 TRP A 31 2.746 -5.832 -1.245 1.00 0.00 H new ATOM 0 HE3 TRP A 31 4.204 -3.348 3.299 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 0.850 -6.079 0.819 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 2.111 -4.068 4.377 1.00 0.00 H new ATOM 0 HH2 TRP A 31 0.458 -5.421 3.152 1.00 0.00 H new ATOM 417 N HIS A 32 8.831 -2.755 0.181 1.00 0.00 N ATOM 418 CA HIS A 32 10.044 -1.952 0.068 1.00 0.00 C ATOM 419 C HIS A 32 9.704 -0.482 -0.156 1.00 0.00 C ATOM 420 O HIS A 32 8.653 -0.155 -0.705 1.00 0.00 O ATOM 421 CB HIS A 32 10.915 -2.466 -1.079 1.00 0.00 C ATOM 422 CG HIS A 32 11.724 -3.674 -0.721 1.00 0.00 C ATOM 423 ND1 HIS A 32 11.904 -4.740 -1.577 1.00 0.00 N ATOM 424 CD2 HIS A 32 12.406 -3.981 0.407 1.00 0.00 C ATOM 425 CE1 HIS A 32 12.659 -5.651 -0.990 1.00 0.00 C ATOM 426 NE2 HIS A 32 12.978 -5.215 0.215 1.00 0.00 N ATOM 0 H HIS A 32 8.281 -2.812 -0.676 1.00 0.00 H new ATOM 0 HA HIS A 32 10.597 -2.040 1.003 1.00 0.00 H new ATOM 0 HB2 HIS A 32 10.277 -2.705 -1.930 1.00 0.00 H new ATOM 0 HB3 HIS A 32 11.588 -1.670 -1.399 1.00 0.00 H new ATOM 0 HD2 HIS A 32 12.486 -3.369 1.293 1.00 0.00 H new ATOM 0 HE1 HIS A 32 12.964 -6.593 -1.422 1.00 0.00 H new ATOM 0 HE2 HIS A 32 13.555 -5.713 0.893 1.00 0.00 H new ATOM 434 N ASN A 33 10.600 0.400 0.275 1.00 0.00 N ATOM 435 CA ASN A 33 10.394 1.836 0.123 1.00 0.00 C ATOM 436 C ASN A 33 9.870 2.166 -1.271 1.00 0.00 C ATOM 437 O ASN A 33 9.142 3.141 -1.457 1.00 0.00 O ATOM 438 CB ASN A 33 11.700 2.590 0.381 1.00 0.00 C ATOM 439 CG ASN A 33 11.836 3.032 1.825 1.00 0.00 C ATOM 440 OD1 ASN A 33 11.925 2.068 2.734 1.00 0.00 O flip ATOM 441 ND2 ASN A 33 11.862 4.227 2.120 1.00 0.00 N flip ATOM 0 H ASN A 33 11.476 0.146 0.732 1.00 0.00 H new ATOM 0 HA ASN A 33 9.650 2.150 0.855 1.00 0.00 H new ATOM 0 HB2 ASN A 33 12.543 1.951 0.118 1.00 0.00 H new ATOM 0 HB3 ASN A 33 11.747 3.463 -0.270 1.00 0.00 H new ATOM 0 HD21 ASN A 33 11.791 4.934 1.389 1.00 0.00 H new ATOM 0 HD22 ASN A 33 11.955 4.510 3.096 1.00 0.00 H new ATOM 448 N ASP A 34 10.245 1.346 -2.247 1.00 0.00 N ATOM 449 CA ASP A 34 9.812 1.549 -3.625 1.00 0.00 C ATOM 450 C ASP A 34 8.623 0.653 -3.958 1.00 0.00 C ATOM 451 O ASP A 34 7.569 1.132 -4.376 1.00 0.00 O ATOM 452 CB ASP A 34 10.964 1.269 -4.590 1.00 0.00 C ATOM 453 CG ASP A 34 10.788 1.973 -5.921 1.00 0.00 C ATOM 454 OD1 ASP A 34 9.651 1.990 -6.437 1.00 0.00 O ATOM 455 OD2 ASP A 34 11.787 2.506 -6.448 1.00 0.00 O ATOM 0 H ASP A 34 10.848 0.535 -2.110 1.00 0.00 H new ATOM 0 HA ASP A 34 9.502 2.588 -3.734 1.00 0.00 H new ATOM 0 HB2 ASP A 34 11.901 1.588 -4.135 1.00 0.00 H new ATOM 0 HB3 ASP A 34 11.041 0.195 -4.758 1.00 0.00 H new ATOM 460 N CYS A 35 8.801 -0.651 -3.773 1.00 0.00 N ATOM 461 CA CYS A 35 7.745 -1.615 -4.055 1.00 0.00 C ATOM 462 C CYS A 35 6.423 -1.172 -3.434 1.00 0.00 C ATOM 463 O CYS A 35 5.380 -1.195 -4.087 1.00 0.00 O ATOM 464 CB CYS A 35 8.132 -2.997 -3.525 1.00 0.00 C ATOM 465 SG CYS A 35 9.625 -3.698 -4.298 1.00 0.00 S ATOM 0 H CYS A 35 9.668 -1.064 -3.429 1.00 0.00 H new ATOM 0 HA CYS A 35 7.618 -1.670 -5.136 1.00 0.00 H new ATOM 0 HB2 CYS A 35 8.290 -2.930 -2.449 1.00 0.00 H new ATOM 0 HB3 CYS A 35 7.299 -3.681 -3.683 1.00 0.00 H new ATOM 470 N PHE A 36 6.476 -0.768 -2.169 1.00 0.00 N ATOM 471 CA PHE A 36 5.284 -0.320 -1.459 1.00 0.00 C ATOM 472 C PHE A 36 4.546 0.751 -2.257 1.00 0.00 C ATOM 473 O PHE A 36 4.834 1.940 -2.134 1.00 0.00 O ATOM 474 CB PHE A 36 5.661 0.225 -0.080 1.00 0.00 C ATOM 475 CG PHE A 36 4.520 0.224 0.897 1.00 0.00 C ATOM 476 CD1 PHE A 36 3.763 -0.919 1.097 1.00 0.00 C ATOM 477 CD2 PHE A 36 4.205 1.365 1.617 1.00 0.00 C ATOM 478 CE1 PHE A 36 2.713 -0.923 1.995 1.00 0.00 C ATOM 479 CE2 PHE A 36 3.156 1.368 2.516 1.00 0.00 C ATOM 480 CZ PHE A 36 2.410 0.222 2.706 1.00 0.00 C ATOM 0 H PHE A 36 7.332 -0.742 -1.615 1.00 0.00 H new ATOM 0 HA PHE A 36 4.622 -1.177 -1.335 1.00 0.00 H new ATOM 0 HB2 PHE A 36 6.478 -0.371 0.327 1.00 0.00 H new ATOM 0 HB3 PHE A 36 6.034 1.243 -0.190 1.00 0.00 H new ATOM 0 HD1 PHE A 36 3.996 -1.817 0.545 1.00 0.00 H new ATOM 0 HD2 PHE A 36 4.787 2.263 1.474 1.00 0.00 H new ATOM 0 HE1 PHE A 36 2.130 -1.820 2.141 1.00 0.00 H new ATOM 0 HE2 PHE A 36 2.920 2.265 3.069 1.00 0.00 H new ATOM 0 HZ PHE A 36 1.591 0.221 3.410 1.00 0.00 H new ATOM 490 N ASN A 37 3.593 0.317 -3.076 1.00 0.00 N ATOM 491 CA ASN A 37 2.813 1.238 -3.896 1.00 0.00 C ATOM 492 C ASN A 37 1.378 0.744 -4.053 1.00 0.00 C ATOM 493 O ASN A 37 1.122 -0.460 -4.069 1.00 0.00 O ATOM 494 CB ASN A 37 3.462 1.402 -5.272 1.00 0.00 C ATOM 495 CG ASN A 37 4.952 1.669 -5.181 1.00 0.00 C ATOM 496 OD1 ASN A 37 5.397 2.504 -4.393 1.00 0.00 O ATOM 497 ND2 ASN A 37 5.730 0.959 -5.989 1.00 0.00 N ATOM 0 H ASN A 37 3.342 -0.665 -3.190 1.00 0.00 H new ATOM 0 HA ASN A 37 2.792 2.205 -3.394 1.00 0.00 H new ATOM 0 HB2 ASN A 37 3.293 0.500 -5.860 1.00 0.00 H new ATOM 0 HB3 ASN A 37 2.980 2.224 -5.802 1.00 0.00 H new ATOM 0 HD21 ASN A 37 6.741 1.095 -5.973 1.00 0.00 H new ATOM 0 HD22 ASN A 37 5.317 0.278 -6.626 1.00 0.00 H new ATOM 504 N CYS A 38 0.445 1.683 -4.170 1.00 0.00 N ATOM 505 CA CYS A 38 -0.965 1.346 -4.326 1.00 0.00 C ATOM 506 C CYS A 38 -1.143 0.203 -5.321 1.00 0.00 C ATOM 507 O CYS A 38 -0.219 -0.144 -6.058 1.00 0.00 O ATOM 508 CB CYS A 38 -1.755 2.570 -4.791 1.00 0.00 C ATOM 509 SG CYS A 38 -3.562 2.381 -4.662 1.00 0.00 S ATOM 0 H CYS A 38 0.640 2.684 -4.160 1.00 0.00 H new ATOM 0 HA CYS A 38 -1.346 1.024 -3.357 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -1.448 3.433 -4.201 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -1.496 2.784 -5.828 1.00 0.00 H new ATOM 514 N LYS A 39 -2.338 -0.379 -5.338 1.00 0.00 N ATOM 515 CA LYS A 39 -2.640 -1.481 -6.243 1.00 0.00 C ATOM 516 C LYS A 39 -3.563 -1.024 -7.368 1.00 0.00 C ATOM 517 O LYS A 39 -3.751 -1.733 -8.357 1.00 0.00 O ATOM 518 CB LYS A 39 -3.287 -2.636 -5.475 1.00 0.00 C ATOM 519 CG LYS A 39 -3.006 -4.001 -6.078 1.00 0.00 C ATOM 520 CD LYS A 39 -1.554 -4.407 -5.887 1.00 0.00 C ATOM 521 CE LYS A 39 -1.270 -4.797 -4.445 1.00 0.00 C ATOM 522 NZ LYS A 39 -1.527 -6.244 -4.201 1.00 0.00 N ATOM 0 H LYS A 39 -3.113 -0.105 -4.734 1.00 0.00 H new ATOM 0 HA LYS A 39 -1.704 -1.824 -6.682 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -2.929 -2.622 -4.446 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -4.365 -2.479 -5.440 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -3.656 -4.744 -5.617 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -3.244 -3.986 -7.142 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -1.320 -5.244 -6.544 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -0.903 -3.582 -6.177 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -0.232 -4.567 -4.204 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -1.892 -4.200 -3.778 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -2.221 -6.349 -3.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -1.900 -6.681 -5.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -0.639 -6.714 -3.931 1.00 0.00 H new ATOM 536 N LYS A 40 -4.136 0.164 -7.211 1.00 0.00 N ATOM 537 CA LYS A 40 -5.037 0.718 -8.214 1.00 0.00 C ATOM 538 C LYS A 40 -4.312 1.724 -9.102 1.00 0.00 C ATOM 539 O LYS A 40 -4.318 1.603 -10.328 1.00 0.00 O ATOM 540 CB LYS A 40 -6.235 1.390 -7.539 1.00 0.00 C ATOM 541 CG LYS A 40 -7.478 1.438 -8.411 1.00 0.00 C ATOM 542 CD LYS A 40 -8.736 1.625 -7.580 1.00 0.00 C ATOM 543 CE LYS A 40 -9.268 0.296 -7.067 1.00 0.00 C ATOM 544 NZ LYS A 40 -9.898 -0.505 -8.152 1.00 0.00 N ATOM 0 H LYS A 40 -3.992 0.762 -6.398 1.00 0.00 H new ATOM 0 HA LYS A 40 -5.392 -0.102 -8.838 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -6.468 0.856 -6.618 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -5.960 2.406 -7.258 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -7.389 2.255 -9.127 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -7.555 0.516 -8.987 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -8.522 2.282 -6.737 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -9.501 2.116 -8.181 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -8.453 -0.274 -6.621 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -9.998 0.477 -6.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -10.465 -1.270 -7.734 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -10.513 0.108 -8.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -9.157 -0.914 -8.757 1.00 0.00 H new ATOM 558 N CYS A 41 -3.685 2.715 -8.477 1.00 0.00 N ATOM 559 CA CYS A 41 -2.954 3.741 -9.209 1.00 0.00 C ATOM 560 C CYS A 41 -1.450 3.491 -9.139 1.00 0.00 C ATOM 561 O CYS A 41 -0.679 4.058 -9.914 1.00 0.00 O ATOM 562 CB CYS A 41 -3.278 5.127 -8.649 1.00 0.00 C ATOM 563 SG CYS A 41 -2.732 5.380 -6.929 1.00 0.00 S ATOM 0 H CYS A 41 -3.669 2.829 -7.463 1.00 0.00 H new ATOM 0 HA CYS A 41 -3.264 3.697 -10.253 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -2.811 5.881 -9.282 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -4.355 5.287 -8.704 1.00 0.00 H new ATOM 568 N SER A 42 -1.040 2.640 -8.205 1.00 0.00 N ATOM 569 CA SER A 42 0.372 2.317 -8.030 1.00 0.00 C ATOM 570 C SER A 42 1.169 3.559 -7.644 1.00 0.00 C ATOM 571 O SER A 42 2.150 3.910 -8.300 1.00 0.00 O ATOM 572 CB SER A 42 0.940 1.711 -9.315 1.00 0.00 C ATOM 573 OG SER A 42 2.177 1.064 -9.069 1.00 0.00 O ATOM 0 H SER A 42 -1.665 2.161 -7.557 1.00 0.00 H new ATOM 0 HA SER A 42 0.456 1.588 -7.224 1.00 0.00 H new ATOM 0 HB2 SER A 42 0.228 0.997 -9.730 1.00 0.00 H new ATOM 0 HB3 SER A 42 1.077 2.494 -10.061 1.00 0.00 H new ATOM 0 HG SER A 42 2.814 1.708 -8.694 1.00 0.00 H new ATOM 579 N LEU A 43 0.740 4.221 -6.575 1.00 0.00 N ATOM 580 CA LEU A 43 1.413 5.425 -6.099 1.00 0.00 C ATOM 581 C LEU A 43 2.226 5.134 -4.842 1.00 0.00 C ATOM 582 O LEU A 43 1.905 4.221 -4.081 1.00 0.00 O ATOM 583 CB LEU A 43 0.390 6.526 -5.815 1.00 0.00 C ATOM 584 CG LEU A 43 0.923 7.770 -5.104 1.00 0.00 C ATOM 585 CD1 LEU A 43 1.774 8.603 -6.050 1.00 0.00 C ATOM 586 CD2 LEU A 43 -0.225 8.599 -4.547 1.00 0.00 C ATOM 0 H LEU A 43 -0.071 3.945 -6.021 1.00 0.00 H new ATOM 0 HA LEU A 43 2.095 5.763 -6.880 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -0.054 6.835 -6.761 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -0.412 6.102 -5.211 1.00 0.00 H new ATOM 0 HG LEU A 43 1.550 7.448 -4.272 1.00 0.00 H new ATOM 0 HD11 LEU A 43 2.144 9.484 -5.526 1.00 0.00 H new ATOM 0 HD12 LEU A 43 2.617 8.008 -6.400 1.00 0.00 H new ATOM 0 HD13 LEU A 43 1.171 8.915 -6.903 1.00 0.00 H new ATOM 0 HD21 LEU A 43 0.173 9.480 -4.044 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.878 8.910 -5.362 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -0.794 8.001 -3.835 1.00 0.00 H new ATOM 598 N SER A 44 3.279 5.917 -4.630 1.00 0.00 N ATOM 599 CA SER A 44 4.139 5.742 -3.465 1.00 0.00 C ATOM 600 C SER A 44 3.330 5.828 -2.175 1.00 0.00 C ATOM 601 O SER A 44 2.699 6.847 -1.890 1.00 0.00 O ATOM 602 CB SER A 44 5.245 6.799 -3.459 1.00 0.00 C ATOM 603 OG SER A 44 6.149 6.585 -2.389 1.00 0.00 O ATOM 0 H SER A 44 3.557 6.678 -5.249 1.00 0.00 H new ATOM 0 HA SER A 44 4.592 4.752 -3.523 1.00 0.00 H new ATOM 0 HB2 SER A 44 5.784 6.771 -4.406 1.00 0.00 H new ATOM 0 HB3 SER A 44 4.803 7.792 -3.373 1.00 0.00 H new ATOM 0 HG SER A 44 6.847 7.272 -2.408 1.00 0.00 H new ATOM 609 N LEU A 45 3.353 4.751 -1.397 1.00 0.00 N ATOM 610 CA LEU A 45 2.623 4.703 -0.135 1.00 0.00 C ATOM 611 C LEU A 45 3.573 4.842 1.050 1.00 0.00 C ATOM 612 O LEU A 45 3.189 5.330 2.113 1.00 0.00 O ATOM 613 CB LEU A 45 1.841 3.393 -0.026 1.00 0.00 C ATOM 614 CG LEU A 45 0.545 3.314 -0.834 1.00 0.00 C ATOM 615 CD1 LEU A 45 -0.079 1.933 -0.710 1.00 0.00 C ATOM 616 CD2 LEU A 45 -0.433 4.387 -0.378 1.00 0.00 C ATOM 0 H LEU A 45 3.869 3.900 -1.618 1.00 0.00 H new ATOM 0 HA LEU A 45 1.924 5.539 -0.116 1.00 0.00 H new ATOM 0 HB2 LEU A 45 2.492 2.578 -0.341 1.00 0.00 H new ATOM 0 HB3 LEU A 45 1.602 3.222 1.024 1.00 0.00 H new ATOM 0 HG LEU A 45 0.782 3.489 -1.883 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -1.000 1.896 -1.292 1.00 0.00 H new ATOM 0 HD12 LEU A 45 0.618 1.184 -1.086 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -0.303 1.727 0.337 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -1.350 4.316 -0.963 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -0.665 4.243 0.677 1.00 0.00 H new ATOM 0 HD23 LEU A 45 0.014 5.371 -0.521 1.00 0.00 H new ATOM 628 N VAL A 46 4.815 4.411 0.859 1.00 0.00 N ATOM 629 CA VAL A 46 5.822 4.490 1.911 1.00 0.00 C ATOM 630 C VAL A 46 5.785 5.847 2.606 1.00 0.00 C ATOM 631 O VAL A 46 6.088 6.874 2.000 1.00 0.00 O ATOM 632 CB VAL A 46 7.237 4.249 1.353 1.00 0.00 C ATOM 633 CG1 VAL A 46 7.502 5.154 0.159 1.00 0.00 C ATOM 634 CG2 VAL A 46 8.281 4.466 2.438 1.00 0.00 C ATOM 0 H VAL A 46 5.149 4.003 -0.014 1.00 0.00 H new ATOM 0 HA VAL A 46 5.587 3.708 2.634 1.00 0.00 H new ATOM 0 HB VAL A 46 7.305 3.214 1.016 1.00 0.00 H new ATOM 0 HG11 VAL A 46 8.507 4.969 -0.222 1.00 0.00 H new ATOM 0 HG12 VAL A 46 6.773 4.946 -0.624 1.00 0.00 H new ATOM 0 HG13 VAL A 46 7.416 6.196 0.466 1.00 0.00 H new ATOM 0 HG21 VAL A 46 9.275 4.292 2.026 1.00 0.00 H new ATOM 0 HG22 VAL A 46 8.215 5.490 2.807 1.00 0.00 H new ATOM 0 HG23 VAL A 46 8.102 3.772 3.260 1.00 0.00 H new ATOM 644 N GLY A 47 5.413 5.843 3.882 1.00 0.00 N ATOM 645 CA GLY A 47 5.344 7.079 4.639 1.00 0.00 C ATOM 646 C GLY A 47 4.005 7.775 4.492 1.00 0.00 C ATOM 647 O GLY A 47 3.923 9.001 4.569 1.00 0.00 O ATOM 0 H GLY A 47 5.158 5.005 4.405 1.00 0.00 H new ATOM 0 HA2 GLY A 47 5.526 6.867 5.693 1.00 0.00 H new ATOM 0 HA3 GLY A 47 6.137 7.749 4.307 1.00 0.00 H new ATOM 651 N ARG A 48 2.953 6.991 4.280 1.00 0.00 N ATOM 652 CA ARG A 48 1.612 7.539 4.119 1.00 0.00 C ATOM 653 C ARG A 48 0.585 6.692 4.866 1.00 0.00 C ATOM 654 O ARG A 48 0.925 5.676 5.470 1.00 0.00 O ATOM 655 CB ARG A 48 1.243 7.616 2.637 1.00 0.00 C ATOM 656 CG ARG A 48 2.264 8.363 1.793 1.00 0.00 C ATOM 657 CD ARG A 48 1.639 8.916 0.522 1.00 0.00 C ATOM 658 NE ARG A 48 2.431 10.002 -0.050 1.00 0.00 N ATOM 659 CZ ARG A 48 2.034 10.736 -1.083 1.00 0.00 C ATOM 660 NH1 ARG A 48 0.860 10.502 -1.654 1.00 0.00 N ATOM 661 NH2 ARG A 48 2.810 11.707 -1.546 1.00 0.00 N ATOM 0 H ARG A 48 3.004 5.974 4.216 1.00 0.00 H new ATOM 0 HA ARG A 48 1.605 8.544 4.541 1.00 0.00 H new ATOM 0 HB2 ARG A 48 1.131 6.605 2.246 1.00 0.00 H new ATOM 0 HB3 ARG A 48 0.274 8.105 2.537 1.00 0.00 H new ATOM 0 HG2 ARG A 48 2.691 9.180 2.375 1.00 0.00 H new ATOM 0 HG3 ARG A 48 3.084 7.693 1.535 1.00 0.00 H new ATOM 0 HD2 ARG A 48 1.539 8.115 -0.211 1.00 0.00 H new ATOM 0 HD3 ARG A 48 0.634 9.276 0.740 1.00 0.00 H new ATOM 0 HE ARG A 48 3.339 10.208 0.367 1.00 0.00 H new ATOM 0 HH11 ARG A 48 0.260 9.757 -1.300 1.00 0.00 H new ATOM 0 HH12 ARG A 48 0.557 11.067 -2.447 1.00 0.00 H new ATOM 0 HH21 ARG A 48 3.713 11.891 -1.109 1.00 0.00 H new ATOM 0 HH22 ARG A 48 2.504 12.270 -2.340 1.00 0.00 H new ATOM 675 N GLY A 49 -0.673 7.119 4.820 1.00 0.00 N ATOM 676 CA GLY A 49 -1.729 6.390 5.497 1.00 0.00 C ATOM 677 C GLY A 49 -2.383 5.355 4.602 1.00 0.00 C ATOM 678 O GLY A 49 -3.610 5.272 4.531 1.00 0.00 O ATOM 0 H GLY A 49 -0.980 7.957 4.326 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -1.319 5.897 6.378 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -2.485 7.093 5.848 1.00 0.00 H new ATOM 682 N PHE A 50 -1.564 4.565 3.917 1.00 0.00 N ATOM 683 CA PHE A 50 -2.070 3.532 3.020 1.00 0.00 C ATOM 684 C PHE A 50 -3.148 2.697 3.706 1.00 0.00 C ATOM 685 O PHE A 50 -3.163 2.568 4.931 1.00 0.00 O ATOM 686 CB PHE A 50 -0.928 2.628 2.553 1.00 0.00 C ATOM 687 CG PHE A 50 -0.300 1.833 3.663 1.00 0.00 C ATOM 688 CD1 PHE A 50 0.699 2.385 4.448 1.00 0.00 C ATOM 689 CD2 PHE A 50 -0.709 0.535 3.920 1.00 0.00 C ATOM 690 CE1 PHE A 50 1.278 1.657 5.470 1.00 0.00 C ATOM 691 CE2 PHE A 50 -0.134 -0.198 4.941 1.00 0.00 C ATOM 692 CZ PHE A 50 0.862 0.363 5.716 1.00 0.00 C ATOM 0 H PHE A 50 -0.547 4.620 3.965 1.00 0.00 H new ATOM 0 HA PHE A 50 -2.512 4.023 2.153 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -1.305 1.942 1.794 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -0.162 3.240 2.077 1.00 0.00 H new ATOM 0 HD1 PHE A 50 1.029 3.396 4.259 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -1.486 0.091 3.316 1.00 0.00 H new ATOM 0 HE1 PHE A 50 2.055 2.099 6.076 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -0.463 -1.209 5.133 1.00 0.00 H new ATOM 0 HZ PHE A 50 1.315 -0.209 6.513 1.00 0.00 H new ATOM 702 N LEU A 51 -4.047 2.132 2.908 1.00 0.00 N ATOM 703 CA LEU A 51 -5.129 1.309 3.437 1.00 0.00 C ATOM 704 C LEU A 51 -4.802 -0.174 3.300 1.00 0.00 C ATOM 705 O LEU A 51 -3.733 -0.544 2.812 1.00 0.00 O ATOM 706 CB LEU A 51 -6.438 1.624 2.710 1.00 0.00 C ATOM 707 CG LEU A 51 -6.862 3.093 2.697 1.00 0.00 C ATOM 708 CD1 LEU A 51 -6.251 3.815 1.507 1.00 0.00 C ATOM 709 CD2 LEU A 51 -8.379 3.210 2.673 1.00 0.00 C ATOM 0 H LEU A 51 -4.048 2.229 1.893 1.00 0.00 H new ATOM 0 HA LEU A 51 -5.244 1.540 4.496 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -6.348 1.283 1.678 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -7.235 1.041 3.170 1.00 0.00 H new ATOM 0 HG LEU A 51 -6.495 3.565 3.609 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -6.564 4.859 1.515 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -5.164 3.762 1.568 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -6.586 3.343 0.584 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -8.663 4.262 2.664 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -8.767 2.722 1.779 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -8.795 2.730 3.559 1.00 0.00 H new ATOM 721 N THR A 52 -5.731 -1.022 3.731 1.00 0.00 N ATOM 722 CA THR A 52 -5.542 -2.465 3.656 1.00 0.00 C ATOM 723 C THR A 52 -6.755 -3.147 3.033 1.00 0.00 C ATOM 724 O THR A 52 -7.766 -3.364 3.699 1.00 0.00 O ATOM 725 CB THR A 52 -5.286 -3.072 5.048 1.00 0.00 C ATOM 726 OG1 THR A 52 -6.263 -2.593 5.979 1.00 0.00 O ATOM 727 CG2 THR A 52 -3.891 -2.720 5.543 1.00 0.00 C ATOM 0 H THR A 52 -6.622 -0.734 4.136 1.00 0.00 H new ATOM 0 HA THR A 52 -4.669 -2.636 3.027 1.00 0.00 H new ATOM 0 HB THR A 52 -5.363 -4.156 4.967 1.00 0.00 H new ATOM 0 HG1 THR A 52 -7.154 -2.646 5.574 1.00 0.00 H new ATOM 0 HG21 THR A 52 -3.733 -3.159 6.528 1.00 0.00 H new ATOM 0 HG22 THR A 52 -3.149 -3.111 4.847 1.00 0.00 H new ATOM 0 HG23 THR A 52 -3.791 -1.637 5.609 1.00 0.00 H new ATOM 735 N GLU A 53 -6.647 -3.481 1.751 1.00 0.00 N ATOM 736 CA GLU A 53 -7.737 -4.138 1.039 1.00 0.00 C ATOM 737 C GLU A 53 -7.800 -5.622 1.391 1.00 0.00 C ATOM 738 O GLU A 53 -6.875 -6.168 1.991 1.00 0.00 O ATOM 739 CB GLU A 53 -7.564 -3.968 -0.472 1.00 0.00 C ATOM 740 CG GLU A 53 -8.877 -3.935 -1.235 1.00 0.00 C ATOM 741 CD GLU A 53 -9.873 -2.959 -0.640 1.00 0.00 C ATOM 742 OE1 GLU A 53 -9.438 -1.915 -0.110 1.00 0.00 O ATOM 743 OE2 GLU A 53 -11.089 -3.239 -0.704 1.00 0.00 O ATOM 0 H GLU A 53 -5.817 -3.308 1.185 1.00 0.00 H new ATOM 0 HA GLU A 53 -8.672 -3.669 1.346 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -7.018 -3.045 -0.665 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -6.952 -4.786 -0.853 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -8.683 -3.663 -2.273 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -9.313 -4.934 -1.243 1.00 0.00 H new ATOM 750 N ARG A 54 -8.900 -6.266 1.014 1.00 0.00 N ATOM 751 CA ARG A 54 -9.086 -7.686 1.291 1.00 0.00 C ATOM 752 C ARG A 54 -7.759 -8.434 1.209 1.00 0.00 C ATOM 753 O ARG A 54 -7.241 -8.912 2.219 1.00 0.00 O ATOM 754 CB ARG A 54 -10.087 -8.292 0.306 1.00 0.00 C ATOM 755 CG ARG A 54 -11.494 -7.735 0.446 1.00 0.00 C ATOM 756 CD ARG A 54 -11.789 -6.691 -0.619 1.00 0.00 C ATOM 757 NE ARG A 54 -12.797 -5.730 -0.179 1.00 0.00 N ATOM 758 CZ ARG A 54 -13.586 -5.059 -1.011 1.00 0.00 C ATOM 759 NH1 ARG A 54 -13.484 -5.245 -2.320 1.00 0.00 N ATOM 760 NH2 ARG A 54 -14.478 -4.201 -0.535 1.00 0.00 N ATOM 0 H ARG A 54 -9.675 -5.828 0.517 1.00 0.00 H new ATOM 0 HA ARG A 54 -9.477 -7.785 2.304 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -9.735 -8.116 -0.711 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -10.117 -9.372 0.450 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -12.217 -8.547 0.371 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -11.614 -7.292 1.435 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -10.870 -6.162 -0.873 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -12.133 -7.187 -1.527 1.00 0.00 H new ATOM 0 HE ARG A 54 -12.901 -5.565 0.822 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -12.799 -5.904 -2.690 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -14.091 -4.729 -2.957 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -14.559 -4.055 0.471 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -15.083 -3.687 -1.175 1.00 0.00 H new ATOM 774 N ASP A 55 -7.214 -8.532 0.002 1.00 0.00 N ATOM 775 CA ASP A 55 -5.947 -9.222 -0.211 1.00 0.00 C ATOM 776 C ASP A 55 -4.956 -8.323 -0.944 1.00 0.00 C ATOM 777 O ASP A 55 -4.048 -8.806 -1.621 1.00 0.00 O ATOM 778 CB ASP A 55 -6.170 -10.510 -1.006 1.00 0.00 C ATOM 779 CG ASP A 55 -4.997 -11.464 -0.903 1.00 0.00 C ATOM 780 OD1 ASP A 55 -4.959 -12.255 0.062 1.00 0.00 O ATOM 781 OD2 ASP A 55 -4.116 -11.420 -1.788 1.00 0.00 O ATOM 0 H ASP A 55 -7.630 -8.142 -0.844 1.00 0.00 H new ATOM 0 HA ASP A 55 -5.530 -9.474 0.764 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -7.071 -11.006 -0.644 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -6.342 -10.262 -2.053 1.00 0.00 H new ATOM 786 N ASP A 56 -5.136 -7.015 -0.804 1.00 0.00 N ATOM 787 CA ASP A 56 -4.258 -6.048 -1.453 1.00 0.00 C ATOM 788 C ASP A 56 -4.250 -4.725 -0.692 1.00 0.00 C ATOM 789 O ASP A 56 -5.030 -4.530 0.240 1.00 0.00 O ATOM 790 CB ASP A 56 -4.698 -5.817 -2.899 1.00 0.00 C ATOM 791 CG ASP A 56 -4.558 -7.061 -3.753 1.00 0.00 C ATOM 792 OD1 ASP A 56 -3.493 -7.710 -3.687 1.00 0.00 O ATOM 793 OD2 ASP A 56 -5.515 -7.388 -4.486 1.00 0.00 O ATOM 0 H ASP A 56 -5.882 -6.599 -0.247 1.00 0.00 H new ATOM 0 HA ASP A 56 -3.246 -6.454 -1.451 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -5.737 -5.487 -2.911 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -4.103 -5.013 -3.333 1.00 0.00 H new ATOM 798 N ILE A 57 -3.364 -3.822 -1.096 1.00 0.00 N ATOM 799 CA ILE A 57 -3.255 -2.518 -0.453 1.00 0.00 C ATOM 800 C ILE A 57 -3.638 -1.398 -1.414 1.00 0.00 C ATOM 801 O ILE A 57 -3.598 -1.569 -2.633 1.00 0.00 O ATOM 802 CB ILE A 57 -1.829 -2.266 0.069 1.00 0.00 C ATOM 803 CG1 ILE A 57 -0.808 -2.469 -1.052 1.00 0.00 C ATOM 804 CG2 ILE A 57 -1.524 -3.184 1.243 1.00 0.00 C ATOM 805 CD1 ILE A 57 0.533 -1.828 -0.772 1.00 0.00 C ATOM 0 H ILE A 57 -2.711 -3.969 -1.866 1.00 0.00 H new ATOM 0 HA ILE A 57 -3.946 -2.523 0.390 1.00 0.00 H new ATOM 0 HB ILE A 57 -1.762 -1.234 0.413 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -0.664 -3.538 -1.212 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -1.211 -2.059 -1.978 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -0.512 -2.993 1.601 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -2.235 -2.994 2.047 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -1.606 -4.223 0.923 1.00 0.00 H new ATOM 0 HD11 ILE A 57 1.206 -2.013 -1.609 1.00 0.00 H new ATOM 0 HD12 ILE A 57 0.403 -0.754 -0.641 1.00 0.00 H new ATOM 0 HD13 ILE A 57 0.958 -2.255 0.136 1.00 0.00 H new ATOM 817 N LEU A 58 -4.009 -0.250 -0.857 1.00 0.00 N ATOM 818 CA LEU A 58 -4.398 0.902 -1.664 1.00 0.00 C ATOM 819 C LEU A 58 -4.029 2.206 -0.965 1.00 0.00 C ATOM 820 O LEU A 58 -3.605 2.205 0.191 1.00 0.00 O ATOM 821 CB LEU A 58 -5.901 0.867 -1.945 1.00 0.00 C ATOM 822 CG LEU A 58 -6.444 -0.433 -2.539 1.00 0.00 C ATOM 823 CD1 LEU A 58 -7.909 -0.615 -2.175 1.00 0.00 C ATOM 824 CD2 LEU A 58 -6.261 -0.447 -4.049 1.00 0.00 C ATOM 0 H LEU A 58 -4.049 -0.092 0.150 1.00 0.00 H new ATOM 0 HA LEU A 58 -3.857 0.853 -2.609 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -6.429 1.065 -1.012 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -6.142 1.683 -2.627 1.00 0.00 H new ATOM 0 HG LEU A 58 -5.881 -1.266 -2.118 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -8.278 -1.545 -2.606 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -8.013 -0.652 -1.091 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -8.488 0.221 -2.567 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -6.653 -1.380 -4.454 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -6.798 0.394 -4.488 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -5.201 -0.365 -4.288 1.00 0.00 H new ATOM 836 N CYS A 59 -4.196 3.318 -1.673 1.00 0.00 N ATOM 837 CA CYS A 59 -3.883 4.631 -1.121 1.00 0.00 C ATOM 838 C CYS A 59 -5.158 5.402 -0.793 1.00 0.00 C ATOM 839 O CYS A 59 -6.226 5.152 -1.354 1.00 0.00 O ATOM 840 CB CYS A 59 -3.029 5.431 -2.106 1.00 0.00 C ATOM 841 SG CYS A 59 -3.945 6.047 -3.555 1.00 0.00 S ATOM 0 H CYS A 59 -4.547 3.336 -2.631 1.00 0.00 H new ATOM 0 HA CYS A 59 -3.321 4.485 -0.199 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -2.587 6.278 -1.582 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -2.206 4.804 -2.449 1.00 0.00 H new ATOM 846 N PRO A 60 -5.047 6.362 0.136 1.00 0.00 N ATOM 847 CA PRO A 60 -6.181 7.190 0.559 1.00 0.00 C ATOM 848 C PRO A 60 -6.960 7.753 -0.625 1.00 0.00 C ATOM 849 O PRO A 60 -8.190 7.812 -0.599 1.00 0.00 O ATOM 850 CB PRO A 60 -5.519 8.321 1.350 1.00 0.00 C ATOM 851 CG PRO A 60 -4.243 7.737 1.849 1.00 0.00 C ATOM 852 CD PRO A 60 -3.806 6.714 0.846 1.00 0.00 C ATOM 0 HA PRO A 60 -6.910 6.620 1.134 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -5.336 9.191 0.719 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -6.152 8.651 2.174 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -3.484 8.511 1.965 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -4.385 7.280 2.828 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -3.057 7.117 0.165 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -3.362 5.844 1.330 1.00 0.00 H new ATOM 860 N ASP A 61 -6.238 8.165 -1.661 1.00 0.00 N ATOM 861 CA ASP A 61 -6.862 8.722 -2.855 1.00 0.00 C ATOM 862 C ASP A 61 -7.808 7.711 -3.496 1.00 0.00 C ATOM 863 O ASP A 61 -8.854 8.077 -4.032 1.00 0.00 O ATOM 864 CB ASP A 61 -5.794 9.150 -3.863 1.00 0.00 C ATOM 865 CG ASP A 61 -6.335 9.242 -5.276 1.00 0.00 C ATOM 866 OD1 ASP A 61 -6.552 8.181 -5.898 1.00 0.00 O ATOM 867 OD2 ASP A 61 -6.541 10.374 -5.760 1.00 0.00 O ATOM 0 H ASP A 61 -5.220 8.124 -1.698 1.00 0.00 H new ATOM 0 HA ASP A 61 -7.441 9.597 -2.558 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -5.388 10.118 -3.569 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -4.969 8.438 -3.839 1.00 0.00 H new ATOM 872 N CYS A 62 -7.433 6.438 -3.436 1.00 0.00 N ATOM 873 CA CYS A 62 -8.246 5.373 -4.012 1.00 0.00 C ATOM 874 C CYS A 62 -9.237 4.831 -2.986 1.00 0.00 C ATOM 875 O CYS A 62 -10.448 4.850 -3.206 1.00 0.00 O ATOM 876 CB CYS A 62 -7.354 4.241 -4.523 1.00 0.00 C ATOM 877 SG CYS A 62 -6.356 4.682 -5.982 1.00 0.00 S ATOM 0 H CYS A 62 -6.571 6.118 -2.994 1.00 0.00 H new ATOM 0 HA CYS A 62 -8.807 5.790 -4.849 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -6.686 3.928 -3.720 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -7.979 3.383 -4.770 1.00 0.00 H new ATOM 882 N GLY A 63 -8.714 4.348 -1.863 1.00 0.00 N ATOM 883 CA GLY A 63 -9.565 3.807 -0.820 1.00 0.00 C ATOM 884 C GLY A 63 -10.758 4.695 -0.527 1.00 0.00 C ATOM 885 O GLY A 63 -11.865 4.206 -0.299 1.00 0.00 O ATOM 0 H GLY A 63 -7.715 4.322 -1.657 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -9.916 2.819 -1.118 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -8.980 3.677 0.091 1.00 0.00 H new ATOM 889 N LYS A 64 -10.534 6.005 -0.531 1.00 0.00 N ATOM 890 CA LYS A 64 -11.599 6.965 -0.264 1.00 0.00 C ATOM 891 C LYS A 64 -12.923 6.485 -0.847 1.00 0.00 C ATOM 892 O LYS A 64 -13.966 6.573 -0.200 1.00 0.00 O ATOM 893 CB LYS A 64 -11.238 8.333 -0.847 1.00 0.00 C ATOM 894 CG LYS A 64 -11.311 8.386 -2.363 1.00 0.00 C ATOM 895 CD LYS A 64 -10.985 9.774 -2.889 1.00 0.00 C ATOM 896 CE LYS A 64 -11.617 10.017 -4.251 1.00 0.00 C ATOM 897 NZ LYS A 64 -10.712 9.610 -5.362 1.00 0.00 N ATOM 0 H LYS A 64 -9.624 6.426 -0.716 1.00 0.00 H new ATOM 0 HA LYS A 64 -11.710 7.055 0.817 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -11.910 9.084 -0.433 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -10.229 8.599 -0.531 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -10.615 7.662 -2.787 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -12.310 8.097 -2.690 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -11.340 10.524 -2.183 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -9.904 9.892 -2.962 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -12.552 9.461 -4.322 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -11.865 11.073 -4.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -11.277 9.240 -6.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -10.165 10.434 -5.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -10.061 8.872 -5.027 1.00 0.00 H new ATOM 911 N ASP A 65 -12.875 5.975 -2.073 1.00 0.00 N ATOM 912 CA ASP A 65 -14.071 5.478 -2.743 1.00 0.00 C ATOM 913 C ASP A 65 -14.660 4.288 -1.992 1.00 0.00 C ATOM 914 O ASP A 65 -15.875 4.188 -1.824 1.00 0.00 O ATOM 915 CB ASP A 65 -13.746 5.078 -4.183 1.00 0.00 C ATOM 916 CG ASP A 65 -14.965 5.114 -5.083 1.00 0.00 C ATOM 917 OD1 ASP A 65 -15.669 6.146 -5.089 1.00 0.00 O ATOM 918 OD2 ASP A 65 -15.216 4.111 -5.782 1.00 0.00 O ATOM 0 H ASP A 65 -12.020 5.895 -2.623 1.00 0.00 H new ATOM 0 HA ASP A 65 -14.810 6.279 -2.755 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -12.985 5.749 -4.580 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -13.322 4.074 -4.191 1.00 0.00 H new ATOM 923 N ILE A 66 -13.790 3.389 -1.543 1.00 0.00 N ATOM 924 CA ILE A 66 -14.225 2.206 -0.810 1.00 0.00 C ATOM 925 C ILE A 66 -15.312 2.555 0.201 1.00 0.00 C ATOM 926 O ILE A 66 -15.090 3.343 1.119 1.00 0.00 O ATOM 927 CB ILE A 66 -13.049 1.537 -0.073 1.00 0.00 C ATOM 928 CG1 ILE A 66 -11.947 1.158 -1.065 1.00 0.00 C ATOM 929 CG2 ILE A 66 -13.530 0.311 0.688 1.00 0.00 C ATOM 930 CD1 ILE A 66 -12.358 0.077 -2.040 1.00 0.00 C ATOM 0 H ILE A 66 -12.781 3.457 -1.674 1.00 0.00 H new ATOM 0 HA ILE A 66 -14.627 1.508 -1.545 1.00 0.00 H new ATOM 0 HB ILE A 66 -12.637 2.247 0.644 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -11.651 2.046 -1.623 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -11.070 0.822 -0.511 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -12.688 -0.151 1.203 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -14.283 0.608 1.418 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -13.964 -0.404 -0.011 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -11.528 -0.141 -2.713 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -12.626 -0.825 -1.491 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -13.216 0.417 -2.620 1.00 0.00 H new ATOM 942 N SER A 67 -16.487 1.960 0.026 1.00 0.00 N ATOM 943 CA SER A 67 -17.611 2.208 0.922 1.00 0.00 C ATOM 944 C SER A 67 -17.629 1.197 2.064 1.00 0.00 C ATOM 945 O SER A 67 -17.834 1.556 3.223 1.00 0.00 O ATOM 946 CB SER A 67 -18.930 2.146 0.150 1.00 0.00 C ATOM 947 OG SER A 67 -19.084 0.894 -0.496 1.00 0.00 O ATOM 0 H SER A 67 -16.686 1.303 -0.728 1.00 0.00 H new ATOM 0 HA SER A 67 -17.493 3.206 1.345 1.00 0.00 H new ATOM 0 HB2 SER A 67 -19.763 2.311 0.833 1.00 0.00 H new ATOM 0 HB3 SER A 67 -18.960 2.946 -0.589 1.00 0.00 H new ATOM 0 HG SER A 67 -19.935 0.879 -0.981 1.00 0.00 H new ATOM 953 N GLY A 68 -17.411 -0.071 1.727 1.00 0.00 N ATOM 954 CA GLY A 68 -17.407 -1.115 2.735 1.00 0.00 C ATOM 955 C GLY A 68 -18.701 -1.167 3.523 1.00 0.00 C ATOM 956 O GLY A 68 -19.788 -0.951 2.987 1.00 0.00 O ATOM 0 H GLY A 68 -17.237 -0.393 0.775 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -17.239 -2.079 2.254 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -16.575 -0.951 3.420 1.00 0.00 H new ATOM 960 N PRO A 69 -18.592 -1.460 4.827 1.00 0.00 N ATOM 961 CA PRO A 69 -19.753 -1.547 5.718 1.00 0.00 C ATOM 962 C PRO A 69 -20.389 -0.185 5.977 1.00 0.00 C ATOM 963 O PRO A 69 -19.708 0.840 5.967 1.00 0.00 O ATOM 964 CB PRO A 69 -19.166 -2.117 7.012 1.00 0.00 C ATOM 965 CG PRO A 69 -17.729 -1.722 6.982 1.00 0.00 C ATOM 966 CD PRO A 69 -17.328 -1.729 5.533 1.00 0.00 C ATOM 0 HA PRO A 69 -20.549 -2.156 5.290 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -19.670 -1.710 7.888 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -19.278 -3.200 7.054 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -17.586 -0.735 7.422 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -17.121 -2.419 7.559 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -16.579 -0.967 5.320 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -16.900 -2.687 5.239 1.00 0.00 H new ATOM 974 N SER A 70 -21.697 -0.183 6.208 1.00 0.00 N ATOM 975 CA SER A 70 -22.425 1.054 6.467 1.00 0.00 C ATOM 976 C SER A 70 -21.616 1.984 7.366 1.00 0.00 C ATOM 977 O SER A 70 -21.577 3.195 7.151 1.00 0.00 O ATOM 978 CB SER A 70 -23.777 0.749 7.114 1.00 0.00 C ATOM 979 OG SER A 70 -24.535 -0.145 6.317 1.00 0.00 O ATOM 0 H SER A 70 -22.275 -1.023 6.221 1.00 0.00 H new ATOM 0 HA SER A 70 -22.591 1.555 5.513 1.00 0.00 H new ATOM 0 HB2 SER A 70 -23.621 0.317 8.102 1.00 0.00 H new ATOM 0 HB3 SER A 70 -24.333 1.676 7.255 1.00 0.00 H new ATOM 0 HG SER A 70 -25.394 -0.325 6.754 1.00 0.00 H new ATOM 985 N SER A 71 -20.971 1.407 8.375 1.00 0.00 N ATOM 986 CA SER A 71 -20.165 2.182 9.310 1.00 0.00 C ATOM 987 C SER A 71 -20.862 3.489 9.674 1.00 0.00 C ATOM 988 O SER A 71 -20.234 4.545 9.735 1.00 0.00 O ATOM 989 CB SER A 71 -18.789 2.476 8.709 1.00 0.00 C ATOM 990 OG SER A 71 -18.898 3.311 7.569 1.00 0.00 O ATOM 0 H SER A 71 -20.991 0.405 8.566 1.00 0.00 H new ATOM 0 HA SER A 71 -20.039 1.592 10.218 1.00 0.00 H new ATOM 0 HB2 SER A 71 -18.157 2.956 9.456 1.00 0.00 H new ATOM 0 HB3 SER A 71 -18.302 1.541 8.433 1.00 0.00 H new ATOM 0 HG SER A 71 -19.091 2.763 6.780 1.00 0.00 H new ATOM 996 N GLY A 72 -22.167 3.409 9.916 1.00 0.00 N ATOM 997 CA GLY A 72 -22.930 4.591 10.271 1.00 0.00 C ATOM 998 C GLY A 72 -23.406 5.361 9.055 1.00 0.00 C ATOM 999 O GLY A 72 -24.433 5.001 8.482 1.00 0.00 O ATOM 0 H GLY A 72 -22.709 2.546 9.872 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -23.791 4.297 10.871 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -22.316 5.243 10.893 1.00 0.00 H new TER 1003 GLY A 72 HETATM 1004 ZN ZN A 201 10.397 -5.358 -2.823 1.00 0.00 ZN HETATM 1005 ZN ZN A 401 -4.219 4.556 -5.303 1.00 0.00 ZN