USER MOD reduce.3.24.130724 H: found=0, std=0, add=589, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 584 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 71 SER OG : rot -130:sc= 0.477 USER MOD Set 1.2: A 74 LYS NZ :NH3+ 159:sc= 0.326 (180deg=-0.969) USER MOD Set 2.1: A 45 SER OG : rot 76:sc= 1.92 USER MOD Set 2.2: A 58 THR OG1 : rot 114:sc= 1.02 USER MOD Set 3.1: A 42 HIS : no HD1:sc= -0.571 K(o=-0.58,f=-9!) USER MOD Set 3.2: A 56 HIS : no HD1:sc=-0.00804 X(o=-0.58,f=-0.57) USER MOD Single : A 1 ALA N :NH3+ -174:sc= 0.938 (180deg=0.906) USER MOD Single : A 4 THR OG1 : rot 151:sc= 1.05 USER MOD Single : A 12 GLN : amide:sc= 2.71 K(o=2.7,f=-10!) USER MOD Single : A 15 LYS NZ :NH3+ 171:sc=-0.000192 (180deg=-0.0729) USER MOD Single : A 17 THR OG1 : rot -19:sc= 1.07 USER MOD Single : A 22 SER OG : rot 180:sc= 0.13 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 SER OG : rot 180:sc= 0.00874 USER MOD Single : A 32 THR OG1 : rot 68:sc= 0.0811 USER MOD Single : A 36 THR OG1 : rot 61:sc= 0.586 USER MOD Single : A 37 SER OG : rot 180:sc= 0.117 USER MOD Single : A 46 HIS : no HD1:sc= 0.433 K(o=0.43,f=-2.2!) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= -0.663! C(o=-0.66!,f=-4.9!) USER MOD Single : A 55 MET CE :methyl -178:sc= 0 (180deg=-0.00791) USER MOD Single : A 57 HIS : no HE2:sc= -5.72! C(o=-5.7!,f=-9.3!) USER MOD Single : A 64 ASN : amide:sc= 0.679 K(o=0.68,f=-0.26) USER MOD Single : A 69 GLN :FLIP amide:sc= -1.47 F(o=-2.7,f=-1.5) USER MOD Single : A 70 THR OG1 : rot -12:sc= 0.89 USER MOD Single : A 73 LYS NZ :NH3+ -168:sc= 0.314 (180deg=0.16) USER MOD Single : A 76 LYS NZ :NH3+ -152:sc= 1.09 (180deg=0.198) USER MOD Single : A 79 SER OG : rot 180:sc= 0.102 USER MOD Single : A 80 LYS NZ :NH3+ -137:sc= 1.17 (180deg=-0.615) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 11.161 11.092 -3.735 1.00 0.00 N ATOM 2 CA ALA A 1 12.601 11.223 -3.870 1.00 0.00 C ATOM 3 C ALA A 1 13.033 10.914 -5.308 1.00 0.00 C ATOM 4 O ALA A 1 13.501 11.808 -6.010 1.00 0.00 O ATOM 5 CB ALA A 1 13.307 10.318 -2.853 1.00 0.00 C ATOM 0 H1 ALA A 1 10.872 11.402 -2.785 1.00 0.00 H new ATOM 0 H2 ALA A 1 10.690 11.682 -4.450 1.00 0.00 H new ATOM 0 H3 ALA A 1 10.888 10.098 -3.873 1.00 0.00 H new ATOM 0 HA ALA A 1 12.892 12.252 -3.658 1.00 0.00 H new ATOM 0 HB1 ALA A 1 14.387 10.422 -2.961 1.00 0.00 H new ATOM 0 HB2 ALA A 1 13.014 10.607 -1.844 1.00 0.00 H new ATOM 0 HB3 ALA A 1 13.023 9.281 -3.030 1.00 0.00 H new ATOM 12 N VAL A 2 12.880 9.661 -5.748 1.00 0.00 N ATOM 13 CA VAL A 2 13.258 9.193 -7.078 1.00 0.00 C ATOM 14 C VAL A 2 12.675 7.789 -7.248 1.00 0.00 C ATOM 15 O VAL A 2 12.312 7.157 -6.260 1.00 0.00 O ATOM 16 CB VAL A 2 14.794 9.236 -7.258 1.00 0.00 C ATOM 17 CG1 VAL A 2 15.523 8.244 -6.344 1.00 0.00 C ATOM 18 CG2 VAL A 2 15.221 8.993 -8.712 1.00 0.00 C ATOM 0 H VAL A 2 12.477 8.925 -5.168 1.00 0.00 H new ATOM 0 HA VAL A 2 12.856 9.841 -7.857 1.00 0.00 H new ATOM 0 HB VAL A 2 15.084 10.247 -6.973 1.00 0.00 H new ATOM 0 HG11 VAL A 2 16.598 8.317 -6.512 1.00 0.00 H new ATOM 0 HG12 VAL A 2 15.302 8.478 -5.303 1.00 0.00 H new ATOM 0 HG13 VAL A 2 15.189 7.231 -6.567 1.00 0.00 H new ATOM 0 HG21 VAL A 2 16.308 9.034 -8.784 1.00 0.00 H new ATOM 0 HG22 VAL A 2 14.872 8.012 -9.034 1.00 0.00 H new ATOM 0 HG23 VAL A 2 14.786 9.761 -9.352 1.00 0.00 H new ATOM 28 N ILE A 3 12.564 7.287 -8.481 1.00 0.00 N ATOM 29 CA ILE A 3 12.006 5.964 -8.746 1.00 0.00 C ATOM 30 C ILE A 3 12.974 4.849 -8.311 1.00 0.00 C ATOM 31 O ILE A 3 13.530 4.119 -9.128 1.00 0.00 O ATOM 32 CB ILE A 3 11.513 5.877 -10.210 1.00 0.00 C ATOM 33 CG1 ILE A 3 10.837 4.536 -10.561 1.00 0.00 C ATOM 34 CG2 ILE A 3 12.602 6.176 -11.254 1.00 0.00 C ATOM 35 CD1 ILE A 3 9.736 4.130 -9.578 1.00 0.00 C ATOM 0 H ILE A 3 12.858 7.787 -9.320 1.00 0.00 H new ATOM 0 HA ILE A 3 11.121 5.804 -8.130 1.00 0.00 H new ATOM 0 HB ILE A 3 10.763 6.666 -10.261 1.00 0.00 H new ATOM 0 HG12 ILE A 3 10.412 4.604 -11.562 1.00 0.00 H new ATOM 0 HG13 ILE A 3 11.595 3.753 -10.589 1.00 0.00 H new ATOM 0 HG21 ILE A 3 12.178 6.095 -12.255 1.00 0.00 H new ATOM 0 HG22 ILE A 3 12.984 7.186 -11.102 1.00 0.00 H new ATOM 0 HG23 ILE A 3 13.416 5.460 -11.146 1.00 0.00 H new ATOM 0 HD11 ILE A 3 9.305 3.178 -9.887 1.00 0.00 H new ATOM 0 HD12 ILE A 3 10.159 4.029 -8.579 1.00 0.00 H new ATOM 0 HD13 ILE A 3 8.958 4.894 -9.567 1.00 0.00 H new ATOM 47 N THR A 4 13.164 4.691 -7.000 1.00 0.00 N ATOM 48 CA THR A 4 14.012 3.676 -6.391 1.00 0.00 C ATOM 49 C THR A 4 13.279 2.332 -6.444 1.00 0.00 C ATOM 50 O THR A 4 12.928 1.789 -5.400 1.00 0.00 O ATOM 51 CB THR A 4 14.322 4.116 -4.947 1.00 0.00 C ATOM 52 OG1 THR A 4 14.666 5.485 -4.951 1.00 0.00 O ATOM 53 CG2 THR A 4 15.486 3.333 -4.334 1.00 0.00 C ATOM 0 H THR A 4 12.712 5.292 -6.311 1.00 0.00 H new ATOM 0 HA THR A 4 14.956 3.560 -6.923 1.00 0.00 H new ATOM 0 HB THR A 4 13.431 3.924 -4.349 1.00 0.00 H new ATOM 0 HG1 THR A 4 14.417 5.887 -4.093 1.00 0.00 H new ATOM 0 HG21 THR A 4 15.663 3.682 -3.317 1.00 0.00 H new ATOM 0 HG22 THR A 4 15.241 2.271 -4.316 1.00 0.00 H new ATOM 0 HG23 THR A 4 16.384 3.488 -4.932 1.00 0.00 H new ATOM 61 N GLY A 5 13.034 1.831 -7.664 1.00 0.00 N ATOM 62 CA GLY A 5 12.289 0.619 -8.002 1.00 0.00 C ATOM 63 C GLY A 5 12.162 -0.369 -6.846 1.00 0.00 C ATOM 64 O GLY A 5 11.071 -0.543 -6.301 1.00 0.00 O ATOM 0 H GLY A 5 13.380 2.302 -8.500 1.00 0.00 H new ATOM 0 HA2 GLY A 5 11.291 0.899 -8.339 1.00 0.00 H new ATOM 0 HA3 GLY A 5 12.781 0.123 -8.839 1.00 0.00 H new ATOM 68 N ALA A 6 13.283 -1.011 -6.499 1.00 0.00 N ATOM 69 CA ALA A 6 13.391 -1.913 -5.363 1.00 0.00 C ATOM 70 C ALA A 6 13.754 -1.061 -4.148 1.00 0.00 C ATOM 71 O ALA A 6 14.733 -0.318 -4.189 1.00 0.00 O ATOM 72 CB ALA A 6 14.454 -2.979 -5.637 1.00 0.00 C ATOM 0 H ALA A 6 14.156 -0.911 -7.016 1.00 0.00 H new ATOM 0 HA ALA A 6 12.453 -2.439 -5.183 1.00 0.00 H new ATOM 0 HB1 ALA A 6 14.527 -3.649 -4.780 1.00 0.00 H new ATOM 0 HB2 ALA A 6 14.176 -3.551 -6.522 1.00 0.00 H new ATOM 0 HB3 ALA A 6 15.418 -2.498 -5.804 1.00 0.00 H new ATOM 78 N CYS A 7 12.973 -1.170 -3.075 1.00 0.00 N ATOM 79 CA CYS A 7 13.088 -0.354 -1.875 1.00 0.00 C ATOM 80 C CYS A 7 12.864 -1.209 -0.636 1.00 0.00 C ATOM 81 O CYS A 7 12.498 -2.380 -0.723 1.00 0.00 O ATOM 82 CB CYS A 7 12.031 0.758 -1.944 1.00 0.00 C ATOM 83 SG CYS A 7 10.337 0.138 -2.107 1.00 0.00 S ATOM 0 H CYS A 7 12.218 -1.853 -3.018 1.00 0.00 H new ATOM 0 HA CYS A 7 14.086 0.081 -1.815 1.00 0.00 H new ATOM 0 HB2 CYS A 7 12.100 1.370 -1.045 1.00 0.00 H new ATOM 0 HB3 CYS A 7 12.254 1.408 -2.790 1.00 0.00 H new ATOM 88 N GLU A 8 13.084 -0.593 0.524 1.00 0.00 N ATOM 89 CA GLU A 8 12.870 -1.144 1.841 1.00 0.00 C ATOM 90 C GLU A 8 11.768 -0.336 2.545 1.00 0.00 C ATOM 91 O GLU A 8 10.898 -0.935 3.177 1.00 0.00 O ATOM 92 CB GLU A 8 14.186 -1.049 2.614 1.00 0.00 C ATOM 93 CG GLU A 8 15.360 -1.796 1.972 1.00 0.00 C ATOM 94 CD GLU A 8 16.661 -1.350 2.628 1.00 0.00 C ATOM 95 OE1 GLU A 8 17.094 -0.221 2.303 1.00 0.00 O ATOM 96 OE2 GLU A 8 17.166 -2.105 3.487 1.00 0.00 O ATOM 0 H GLU A 8 13.438 0.363 0.560 1.00 0.00 H new ATOM 0 HA GLU A 8 12.556 -2.186 1.786 1.00 0.00 H new ATOM 0 HB2 GLU A 8 14.455 0.002 2.719 1.00 0.00 H new ATOM 0 HB3 GLU A 8 14.030 -1.440 3.619 1.00 0.00 H new ATOM 0 HG2 GLU A 8 15.230 -2.872 2.091 1.00 0.00 H new ATOM 0 HG3 GLU A 8 15.392 -1.595 0.901 1.00 0.00 H new ATOM 103 N ARG A 9 11.813 1.005 2.448 1.00 0.00 N ATOM 104 CA ARG A 9 10.862 1.926 3.082 1.00 0.00 C ATOM 105 C ARG A 9 10.392 3.016 2.104 1.00 0.00 C ATOM 106 O ARG A 9 11.174 3.480 1.275 1.00 0.00 O ATOM 107 CB ARG A 9 11.489 2.611 4.306 1.00 0.00 C ATOM 108 CG ARG A 9 11.992 1.653 5.392 1.00 0.00 C ATOM 109 CD ARG A 9 13.511 1.470 5.343 1.00 0.00 C ATOM 110 NE ARG A 9 13.934 0.383 6.235 1.00 0.00 N ATOM 111 CZ ARG A 9 15.057 -0.332 6.083 1.00 0.00 C ATOM 112 NH1 ARG A 9 16.037 0.116 5.293 1.00 0.00 N ATOM 113 NH2 ARG A 9 15.182 -1.509 6.705 1.00 0.00 N ATOM 0 H ARG A 9 12.533 1.488 1.911 1.00 0.00 H new ATOM 0 HA ARG A 9 10.007 1.325 3.391 1.00 0.00 H new ATOM 0 HB2 ARG A 9 12.323 3.229 3.972 1.00 0.00 H new ATOM 0 HB3 ARG A 9 10.752 3.282 4.747 1.00 0.00 H new ATOM 0 HG2 ARG A 9 11.705 2.034 6.372 1.00 0.00 H new ATOM 0 HG3 ARG A 9 11.507 0.684 5.273 1.00 0.00 H new ATOM 0 HD2 ARG A 9 13.823 1.251 4.322 1.00 0.00 H new ATOM 0 HD3 ARG A 9 14.003 2.398 5.634 1.00 0.00 H new ATOM 0 HE ARG A 9 13.331 0.156 7.026 1.00 0.00 H new ATOM 0 HH11 ARG A 9 15.932 1.005 4.804 1.00 0.00 H new ATOM 0 HH12 ARG A 9 16.891 -0.431 5.179 1.00 0.00 H new ATOM 0 HH21 ARG A 9 14.425 -1.859 7.292 1.00 0.00 H new ATOM 0 HH22 ARG A 9 16.035 -2.057 6.593 1.00 0.00 H new ATOM 127 N ASP A 10 9.136 3.459 2.258 1.00 0.00 N ATOM 128 CA ASP A 10 8.436 4.440 1.419 1.00 0.00 C ATOM 129 C ASP A 10 9.317 5.615 0.980 1.00 0.00 C ATOM 130 O ASP A 10 9.483 5.889 -0.211 1.00 0.00 O ATOM 131 CB ASP A 10 7.223 5.029 2.170 1.00 0.00 C ATOM 132 CG ASP A 10 6.154 4.049 2.610 1.00 0.00 C ATOM 133 OD1 ASP A 10 6.149 2.882 2.166 1.00 0.00 O ATOM 134 OD2 ASP A 10 5.323 4.469 3.443 1.00 0.00 O ATOM 0 H ASP A 10 8.546 3.121 3.018 1.00 0.00 H new ATOM 0 HA ASP A 10 8.130 3.887 0.531 1.00 0.00 H new ATOM 0 HB2 ASP A 10 7.590 5.551 3.053 1.00 0.00 H new ATOM 0 HB3 ASP A 10 6.756 5.777 1.529 1.00 0.00 H new ATOM 139 N LEU A 11 9.861 6.329 1.971 1.00 0.00 N ATOM 140 CA LEU A 11 10.644 7.539 1.776 1.00 0.00 C ATOM 141 C LEU A 11 11.858 7.346 0.867 1.00 0.00 C ATOM 142 O LEU A 11 12.331 8.319 0.285 1.00 0.00 O ATOM 143 CB LEU A 11 11.014 8.184 3.123 1.00 0.00 C ATOM 144 CG LEU A 11 12.139 7.502 3.924 1.00 0.00 C ATOM 145 CD1 LEU A 11 12.439 8.344 5.170 1.00 0.00 C ATOM 146 CD2 LEU A 11 11.779 6.081 4.365 1.00 0.00 C ATOM 0 H LEU A 11 9.763 6.069 2.952 1.00 0.00 H new ATOM 0 HA LEU A 11 10.002 8.237 1.239 1.00 0.00 H new ATOM 0 HB2 LEU A 11 11.305 9.218 2.938 1.00 0.00 H new ATOM 0 HB3 LEU A 11 10.120 8.211 3.746 1.00 0.00 H new ATOM 0 HG LEU A 11 13.007 7.430 3.269 1.00 0.00 H new ATOM 0 HD11 LEU A 11 13.235 7.871 5.746 1.00 0.00 H new ATOM 0 HD12 LEU A 11 12.755 9.342 4.867 1.00 0.00 H new ATOM 0 HD13 LEU A 11 11.541 8.418 5.784 1.00 0.00 H new ATOM 0 HD21 LEU A 11 12.610 5.652 4.925 1.00 0.00 H new ATOM 0 HD22 LEU A 11 10.892 6.110 4.998 1.00 0.00 H new ATOM 0 HD23 LEU A 11 11.578 5.467 3.487 1.00 0.00 H new ATOM 158 N GLN A 12 12.371 6.117 0.731 1.00 0.00 N ATOM 159 CA GLN A 12 13.487 5.874 -0.170 1.00 0.00 C ATOM 160 C GLN A 12 13.050 6.094 -1.619 1.00 0.00 C ATOM 161 O GLN A 12 13.888 6.401 -2.465 1.00 0.00 O ATOM 162 CB GLN A 12 14.017 4.449 0.001 1.00 0.00 C ATOM 163 CG GLN A 12 14.568 4.193 1.409 1.00 0.00 C ATOM 164 CD GLN A 12 14.967 2.731 1.555 1.00 0.00 C ATOM 165 OE1 GLN A 12 14.206 1.853 1.163 1.00 0.00 O ATOM 166 NE2 GLN A 12 16.143 2.442 2.106 1.00 0.00 N ATOM 0 H GLN A 12 12.033 5.293 1.227 1.00 0.00 H new ATOM 0 HA GLN A 12 14.285 6.575 0.074 1.00 0.00 H new ATOM 0 HB2 GLN A 12 13.216 3.739 -0.207 1.00 0.00 H new ATOM 0 HB3 GLN A 12 14.803 4.267 -0.732 1.00 0.00 H new ATOM 0 HG2 GLN A 12 15.430 4.834 1.593 1.00 0.00 H new ATOM 0 HG3 GLN A 12 13.816 4.449 2.155 1.00 0.00 H new ATOM 0 HE21 GLN A 12 16.756 3.193 2.423 1.00 0.00 H new ATOM 0 HE22 GLN A 12 16.432 1.469 2.211 1.00 0.00 H new ATOM 175 N CYS A 13 11.758 5.902 -1.912 1.00 0.00 N ATOM 176 CA CYS A 13 11.209 6.077 -3.246 1.00 0.00 C ATOM 177 C CYS A 13 10.519 7.433 -3.361 1.00 0.00 C ATOM 178 O CYS A 13 10.902 8.257 -4.188 1.00 0.00 O ATOM 179 CB CYS A 13 10.276 4.919 -3.600 1.00 0.00 C ATOM 180 SG CYS A 13 10.044 4.778 -5.384 1.00 0.00 S ATOM 0 H CYS A 13 11.066 5.619 -1.219 1.00 0.00 H new ATOM 0 HA CYS A 13 12.022 6.064 -3.972 1.00 0.00 H new ATOM 0 HB2 CYS A 13 10.687 3.987 -3.211 1.00 0.00 H new ATOM 0 HB3 CYS A 13 9.310 5.068 -3.117 1.00 0.00 H new ATOM 185 N GLY A 14 9.524 7.697 -2.510 1.00 0.00 N ATOM 186 CA GLY A 14 8.814 8.970 -2.526 1.00 0.00 C ATOM 187 C GLY A 14 7.382 8.813 -2.031 1.00 0.00 C ATOM 188 O GLY A 14 6.752 7.791 -2.286 1.00 0.00 O ATOM 0 H GLY A 14 9.194 7.042 -1.801 1.00 0.00 H new ATOM 0 HA2 GLY A 14 9.340 9.690 -1.899 1.00 0.00 H new ATOM 0 HA3 GLY A 14 8.809 9.373 -3.539 1.00 0.00 H new ATOM 192 N LYS A 15 6.858 9.853 -1.373 1.00 0.00 N ATOM 193 CA LYS A 15 5.534 9.882 -0.752 1.00 0.00 C ATOM 194 C LYS A 15 4.388 9.526 -1.709 1.00 0.00 C ATOM 195 O LYS A 15 3.354 9.028 -1.274 1.00 0.00 O ATOM 196 CB LYS A 15 5.285 11.250 -0.097 1.00 0.00 C ATOM 197 CG LYS A 15 6.440 11.790 0.765 1.00 0.00 C ATOM 198 CD LYS A 15 6.934 10.782 1.815 1.00 0.00 C ATOM 199 CE LYS A 15 8.101 11.355 2.630 1.00 0.00 C ATOM 200 NZ LYS A 15 7.683 12.490 3.473 1.00 0.00 N ATOM 0 H LYS A 15 7.366 10.730 -1.255 1.00 0.00 H new ATOM 0 HA LYS A 15 5.538 9.101 0.009 1.00 0.00 H new ATOM 0 HB2 LYS A 15 5.070 11.976 -0.881 1.00 0.00 H new ATOM 0 HB3 LYS A 15 4.393 11.179 0.525 1.00 0.00 H new ATOM 0 HG2 LYS A 15 7.271 12.066 0.116 1.00 0.00 H new ATOM 0 HG3 LYS A 15 6.114 12.700 1.269 1.00 0.00 H new ATOM 0 HD2 LYS A 15 6.115 10.519 2.484 1.00 0.00 H new ATOM 0 HD3 LYS A 15 7.249 9.863 1.321 1.00 0.00 H new ATOM 0 HE2 LYS A 15 8.522 10.571 3.260 1.00 0.00 H new ATOM 0 HE3 LYS A 15 8.891 11.679 1.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 8.458 12.748 4.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 7.449 13.303 2.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 6.847 12.220 4.029 1.00 0.00 H new ATOM 214 N GLY A 16 4.553 9.786 -3.011 1.00 0.00 N ATOM 215 CA GLY A 16 3.560 9.423 -4.020 1.00 0.00 C ATOM 216 C GLY A 16 3.448 7.901 -4.190 1.00 0.00 C ATOM 217 O GLY A 16 2.568 7.401 -4.892 1.00 0.00 O ATOM 0 H GLY A 16 5.377 10.252 -3.391 1.00 0.00 H new ATOM 0 HA2 GLY A 16 2.589 9.829 -3.737 1.00 0.00 H new ATOM 0 HA3 GLY A 16 3.829 9.876 -4.974 1.00 0.00 H new ATOM 221 N THR A 17 4.354 7.148 -3.569 1.00 0.00 N ATOM 222 CA THR A 17 4.363 5.706 -3.598 1.00 0.00 C ATOM 223 C THR A 17 4.584 5.221 -2.164 1.00 0.00 C ATOM 224 O THR A 17 4.787 6.019 -1.250 1.00 0.00 O ATOM 225 CB THR A 17 5.501 5.234 -4.528 1.00 0.00 C ATOM 226 OG1 THR A 17 6.766 5.610 -4.018 1.00 0.00 O ATOM 227 CG2 THR A 17 5.378 5.804 -5.945 1.00 0.00 C ATOM 0 H THR A 17 5.117 7.544 -3.021 1.00 0.00 H new ATOM 0 HA THR A 17 3.425 5.302 -3.978 1.00 0.00 H new ATOM 0 HB THR A 17 5.413 4.148 -4.572 1.00 0.00 H new ATOM 0 HG1 THR A 17 6.654 6.330 -3.363 1.00 0.00 H new ATOM 0 HG21 THR A 17 6.204 5.440 -6.557 1.00 0.00 H new ATOM 0 HG22 THR A 17 4.433 5.485 -6.385 1.00 0.00 H new ATOM 0 HG23 THR A 17 5.410 6.893 -5.903 1.00 0.00 H new ATOM 235 N CYS A 18 4.516 3.910 -1.968 1.00 0.00 N ATOM 236 CA CYS A 18 4.752 3.239 -0.708 1.00 0.00 C ATOM 237 C CYS A 18 5.498 1.963 -1.050 1.00 0.00 C ATOM 238 O CYS A 18 5.298 1.374 -2.114 1.00 0.00 O ATOM 239 CB CYS A 18 3.461 3.024 0.094 1.00 0.00 C ATOM 240 SG CYS A 18 1.932 3.298 -0.831 1.00 0.00 S ATOM 0 H CYS A 18 4.284 3.262 -2.721 1.00 0.00 H new ATOM 0 HA CYS A 18 5.354 3.847 -0.033 1.00 0.00 H new ATOM 0 HB2 CYS A 18 3.457 2.005 0.480 1.00 0.00 H new ATOM 0 HB3 CYS A 18 3.471 3.691 0.956 1.00 0.00 H new ATOM 245 N CYS A 19 6.390 1.556 -0.158 1.00 0.00 N ATOM 246 CA CYS A 19 7.287 0.441 -0.390 1.00 0.00 C ATOM 247 C CYS A 19 6.660 -0.875 0.062 1.00 0.00 C ATOM 248 O CYS A 19 6.866 -1.306 1.196 1.00 0.00 O ATOM 249 CB CYS A 19 8.610 0.725 0.307 1.00 0.00 C ATOM 250 SG CYS A 19 9.811 -0.493 -0.199 1.00 0.00 S ATOM 0 H CYS A 19 6.510 1.997 0.754 1.00 0.00 H new ATOM 0 HA CYS A 19 7.474 0.332 -1.458 1.00 0.00 H new ATOM 0 HB2 CYS A 19 8.960 1.726 0.055 1.00 0.00 H new ATOM 0 HB3 CYS A 19 8.479 0.697 1.389 1.00 0.00 H new ATOM 255 N ALA A 20 5.866 -1.500 -0.813 1.00 0.00 N ATOM 256 CA ALA A 20 5.138 -2.730 -0.505 1.00 0.00 C ATOM 257 C ALA A 20 5.895 -3.940 -1.038 1.00 0.00 C ATOM 258 O ALA A 20 6.707 -3.816 -1.947 1.00 0.00 O ATOM 259 CB ALA A 20 3.710 -2.674 -1.055 1.00 0.00 C ATOM 0 H ALA A 20 5.711 -1.162 -1.763 1.00 0.00 H new ATOM 0 HA ALA A 20 5.065 -2.828 0.578 1.00 0.00 H new ATOM 0 HB1 ALA A 20 3.190 -3.601 -0.812 1.00 0.00 H new ATOM 0 HB2 ALA A 20 3.180 -1.833 -0.607 1.00 0.00 H new ATOM 0 HB3 ALA A 20 3.742 -2.548 -2.137 1.00 0.00 H new ATOM 265 N VAL A 21 5.643 -5.106 -0.449 1.00 0.00 N ATOM 266 CA VAL A 21 6.293 -6.374 -0.754 1.00 0.00 C ATOM 267 C VAL A 21 6.486 -6.653 -2.254 1.00 0.00 C ATOM 268 O VAL A 21 5.624 -6.339 -3.067 1.00 0.00 O ATOM 269 CB VAL A 21 5.418 -7.475 -0.118 1.00 0.00 C ATOM 270 CG1 VAL A 21 5.694 -8.868 -0.681 1.00 0.00 C ATOM 271 CG2 VAL A 21 5.600 -7.520 1.399 1.00 0.00 C ATOM 0 H VAL A 21 4.945 -5.195 0.290 1.00 0.00 H new ATOM 0 HA VAL A 21 7.305 -6.346 -0.350 1.00 0.00 H new ATOM 0 HB VAL A 21 4.392 -7.205 -0.369 1.00 0.00 H new ATOM 0 HG11 VAL A 21 5.045 -9.594 -0.191 1.00 0.00 H new ATOM 0 HG12 VAL A 21 5.498 -8.872 -1.753 1.00 0.00 H new ATOM 0 HG13 VAL A 21 6.736 -9.133 -0.501 1.00 0.00 H new ATOM 0 HG21 VAL A 21 4.971 -8.305 1.818 1.00 0.00 H new ATOM 0 HG22 VAL A 21 6.644 -7.727 1.634 1.00 0.00 H new ATOM 0 HG23 VAL A 21 5.315 -6.559 1.828 1.00 0.00 H new ATOM 281 N SER A 22 7.597 -7.292 -2.640 1.00 0.00 N ATOM 282 CA SER A 22 7.730 -7.802 -3.997 1.00 0.00 C ATOM 283 C SER A 22 6.820 -9.018 -4.066 1.00 0.00 C ATOM 284 O SER A 22 6.985 -9.947 -3.276 1.00 0.00 O ATOM 285 CB SER A 22 9.160 -8.247 -4.321 1.00 0.00 C ATOM 286 OG SER A 22 9.165 -9.097 -5.460 1.00 0.00 O ATOM 0 H SER A 22 8.402 -7.463 -2.037 1.00 0.00 H new ATOM 0 HA SER A 22 7.473 -7.020 -4.711 1.00 0.00 H new ATOM 0 HB2 SER A 22 9.786 -7.375 -4.507 1.00 0.00 H new ATOM 0 HB3 SER A 22 9.588 -8.770 -3.466 1.00 0.00 H new ATOM 0 HG SER A 22 10.084 -9.373 -5.658 1.00 0.00 H new ATOM 292 N LEU A 23 5.900 -9.042 -5.033 1.00 0.00 N ATOM 293 CA LEU A 23 4.977 -10.151 -5.236 1.00 0.00 C ATOM 294 C LEU A 23 5.734 -11.483 -5.360 1.00 0.00 C ATOM 295 O LEU A 23 5.130 -12.536 -5.174 1.00 0.00 O ATOM 296 CB LEU A 23 4.109 -9.920 -6.495 1.00 0.00 C ATOM 297 CG LEU A 23 3.023 -8.824 -6.427 1.00 0.00 C ATOM 298 CD1 LEU A 23 1.906 -9.103 -5.401 1.00 0.00 C ATOM 299 CD2 LEU A 23 3.613 -7.422 -6.254 1.00 0.00 C ATOM 0 H LEU A 23 5.777 -8.282 -5.702 1.00 0.00 H new ATOM 0 HA LEU A 23 4.325 -10.202 -4.364 1.00 0.00 H new ATOM 0 HB2 LEU A 23 4.776 -9.680 -7.323 1.00 0.00 H new ATOM 0 HB3 LEU A 23 3.620 -10.862 -6.743 1.00 0.00 H new ATOM 0 HG LEU A 23 2.539 -8.858 -7.403 1.00 0.00 H new ATOM 0 HD11 LEU A 23 1.185 -8.286 -5.417 1.00 0.00 H new ATOM 0 HD12 LEU A 23 1.403 -10.036 -5.656 1.00 0.00 H new ATOM 0 HD13 LEU A 23 2.340 -9.185 -4.404 1.00 0.00 H new ATOM 0 HD21 LEU A 23 2.806 -6.690 -6.212 1.00 0.00 H new ATOM 0 HD22 LEU A 23 4.188 -7.381 -5.329 1.00 0.00 H new ATOM 0 HD23 LEU A 23 4.265 -7.195 -7.097 1.00 0.00 H new ATOM 311 N TRP A 24 7.039 -11.446 -5.669 1.00 0.00 N ATOM 312 CA TRP A 24 7.838 -12.637 -5.913 1.00 0.00 C ATOM 313 C TRP A 24 8.705 -13.030 -4.713 1.00 0.00 C ATOM 314 O TRP A 24 9.150 -14.174 -4.648 1.00 0.00 O ATOM 315 CB TRP A 24 8.662 -12.403 -7.191 1.00 0.00 C ATOM 316 CG TRP A 24 7.937 -11.606 -8.242 1.00 0.00 C ATOM 317 CD1 TRP A 24 8.390 -10.463 -8.803 1.00 0.00 C ATOM 318 CD2 TRP A 24 6.553 -11.744 -8.692 1.00 0.00 C ATOM 319 NE1 TRP A 24 7.384 -9.863 -9.532 1.00 0.00 N ATOM 320 CE2 TRP A 24 6.214 -10.592 -9.459 1.00 0.00 C ATOM 321 CE3 TRP A 24 5.519 -12.676 -8.454 1.00 0.00 C ATOM 322 CZ2 TRP A 24 4.909 -10.360 -9.921 1.00 0.00 C ATOM 323 CZ3 TRP A 24 4.220 -12.476 -8.953 1.00 0.00 C ATOM 324 CH2 TRP A 24 3.907 -11.303 -9.657 1.00 0.00 C ATOM 0 H TRP A 24 7.566 -10.577 -5.755 1.00 0.00 H new ATOM 0 HA TRP A 24 7.177 -13.492 -6.057 1.00 0.00 H new ATOM 0 HB2 TRP A 24 9.585 -11.886 -6.928 1.00 0.00 H new ATOM 0 HB3 TRP A 24 8.946 -13.368 -7.611 1.00 0.00 H new ATOM 0 HD1 TRP A 24 9.393 -10.076 -8.696 1.00 0.00 H new ATOM 0 HE1 TRP A 24 7.491 -8.995 -10.056 1.00 0.00 H new ATOM 0 HE3 TRP A 24 5.731 -13.563 -7.875 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 4.679 -9.462 -10.475 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 3.461 -13.227 -8.794 1.00 0.00 H new ATOM 0 HH2 TRP A 24 2.896 -11.128 -9.994 1.00 0.00 H new ATOM 335 N ILE A 25 8.967 -12.113 -3.772 1.00 0.00 N ATOM 336 CA ILE A 25 9.827 -12.388 -2.627 1.00 0.00 C ATOM 337 C ILE A 25 9.588 -11.387 -1.490 1.00 0.00 C ATOM 338 O ILE A 25 9.980 -10.228 -1.584 1.00 0.00 O ATOM 339 CB ILE A 25 11.299 -12.445 -3.087 1.00 0.00 C ATOM 340 CG1 ILE A 25 12.263 -12.518 -1.891 1.00 0.00 C ATOM 341 CG2 ILE A 25 11.691 -11.273 -3.996 1.00 0.00 C ATOM 342 CD1 ILE A 25 13.626 -13.108 -2.267 1.00 0.00 C ATOM 0 H ILE A 25 8.588 -11.166 -3.788 1.00 0.00 H new ATOM 0 HA ILE A 25 9.574 -13.364 -2.212 1.00 0.00 H new ATOM 0 HB ILE A 25 11.386 -13.360 -3.674 1.00 0.00 H new ATOM 0 HG12 ILE A 25 12.405 -11.518 -1.482 1.00 0.00 H new ATOM 0 HG13 ILE A 25 11.814 -13.124 -1.104 1.00 0.00 H new ATOM 0 HG21 ILE A 25 12.737 -11.371 -4.285 1.00 0.00 H new ATOM 0 HG22 ILE A 25 11.066 -11.280 -4.889 1.00 0.00 H new ATOM 0 HG23 ILE A 25 11.549 -10.334 -3.461 1.00 0.00 H new ATOM 0 HD11 ILE A 25 14.266 -13.136 -1.385 1.00 0.00 H new ATOM 0 HD12 ILE A 25 13.491 -14.120 -2.650 1.00 0.00 H new ATOM 0 HD13 ILE A 25 14.091 -12.489 -3.034 1.00 0.00 H new ATOM 354 N LYS A 26 9.012 -11.851 -0.375 1.00 0.00 N ATOM 355 CA LYS A 26 8.744 -11.057 0.813 1.00 0.00 C ATOM 356 C LYS A 26 9.991 -10.347 1.357 1.00 0.00 C ATOM 357 O LYS A 26 9.879 -9.351 2.072 1.00 0.00 O ATOM 358 CB LYS A 26 8.138 -11.987 1.866 1.00 0.00 C ATOM 359 CG LYS A 26 6.711 -12.413 1.490 1.00 0.00 C ATOM 360 CD LYS A 26 6.108 -13.391 2.508 1.00 0.00 C ATOM 361 CE LYS A 26 5.897 -12.749 3.885 1.00 0.00 C ATOM 362 NZ LYS A 26 5.176 -13.657 4.794 1.00 0.00 N ATOM 0 H LYS A 26 8.713 -12.821 -0.279 1.00 0.00 H new ATOM 0 HA LYS A 26 8.050 -10.258 0.552 1.00 0.00 H new ATOM 0 HB2 LYS A 26 8.765 -12.872 1.975 1.00 0.00 H new ATOM 0 HB3 LYS A 26 8.125 -11.484 2.833 1.00 0.00 H new ATOM 0 HG2 LYS A 26 6.077 -11.529 1.419 1.00 0.00 H new ATOM 0 HG3 LYS A 26 6.721 -12.878 0.504 1.00 0.00 H new ATOM 0 HD2 LYS A 26 5.153 -13.759 2.132 1.00 0.00 H new ATOM 0 HD3 LYS A 26 6.765 -14.255 2.610 1.00 0.00 H new ATOM 0 HE2 LYS A 26 6.862 -12.488 4.319 1.00 0.00 H new ATOM 0 HE3 LYS A 26 5.336 -11.821 3.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 5.048 -13.195 5.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 4.245 -13.886 4.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 5.724 -14.532 4.918 1.00 0.00 H new ATOM 376 N SER A 27 11.177 -10.865 1.037 1.00 0.00 N ATOM 377 CA SER A 27 12.443 -10.308 1.473 1.00 0.00 C ATOM 378 C SER A 27 12.755 -8.966 0.799 1.00 0.00 C ATOM 379 O SER A 27 13.573 -8.214 1.321 1.00 0.00 O ATOM 380 CB SER A 27 13.548 -11.333 1.197 1.00 0.00 C ATOM 381 OG SER A 27 13.071 -12.638 1.479 1.00 0.00 O ATOM 0 H SER A 27 11.279 -11.698 0.457 1.00 0.00 H new ATOM 0 HA SER A 27 12.383 -10.101 2.542 1.00 0.00 H new ATOM 0 HB2 SER A 27 13.865 -11.268 0.156 1.00 0.00 H new ATOM 0 HB3 SER A 27 14.422 -11.114 1.811 1.00 0.00 H new ATOM 0 HG SER A 27 13.779 -13.291 1.300 1.00 0.00 H new ATOM 387 N VAL A 28 12.148 -8.675 -0.361 1.00 0.00 N ATOM 388 CA VAL A 28 12.361 -7.434 -1.102 1.00 0.00 C ATOM 389 C VAL A 28 11.013 -6.730 -1.239 1.00 0.00 C ATOM 390 O VAL A 28 9.966 -7.375 -1.186 1.00 0.00 O ATOM 391 CB VAL A 28 13.001 -7.734 -2.471 1.00 0.00 C ATOM 392 CG1 VAL A 28 13.300 -6.456 -3.267 1.00 0.00 C ATOM 393 CG2 VAL A 28 14.309 -8.520 -2.302 1.00 0.00 C ATOM 0 H VAL A 28 11.487 -9.307 -0.813 1.00 0.00 H new ATOM 0 HA VAL A 28 13.051 -6.778 -0.572 1.00 0.00 H new ATOM 0 HB VAL A 28 12.273 -8.328 -3.024 1.00 0.00 H new ATOM 0 HG11 VAL A 28 13.750 -6.720 -4.224 1.00 0.00 H new ATOM 0 HG12 VAL A 28 12.373 -5.910 -3.441 1.00 0.00 H new ATOM 0 HG13 VAL A 28 13.990 -5.829 -2.702 1.00 0.00 H new ATOM 0 HG21 VAL A 28 14.742 -8.720 -3.282 1.00 0.00 H new ATOM 0 HG22 VAL A 28 15.011 -7.935 -1.707 1.00 0.00 H new ATOM 0 HG23 VAL A 28 14.104 -9.464 -1.797 1.00 0.00 H new ATOM 403 N ARG A 29 11.026 -5.406 -1.397 1.00 0.00 N ATOM 404 CA ARG A 29 9.831 -4.595 -1.538 1.00 0.00 C ATOM 405 C ARG A 29 10.059 -3.633 -2.708 1.00 0.00 C ATOM 406 O ARG A 29 11.205 -3.405 -3.099 1.00 0.00 O ATOM 407 CB ARG A 29 9.520 -3.907 -0.203 1.00 0.00 C ATOM 408 CG ARG A 29 9.708 -4.831 0.997 1.00 0.00 C ATOM 409 CD ARG A 29 9.173 -4.172 2.274 1.00 0.00 C ATOM 410 NE ARG A 29 8.200 -5.036 2.947 1.00 0.00 N ATOM 411 CZ ARG A 29 8.445 -6.278 3.391 1.00 0.00 C ATOM 412 NH1 ARG A 29 9.650 -6.836 3.236 1.00 0.00 N ATOM 413 NH2 ARG A 29 7.457 -6.964 3.966 1.00 0.00 N ATOM 0 H ARG A 29 11.889 -4.863 -1.430 1.00 0.00 H new ATOM 0 HA ARG A 29 8.948 -5.189 -1.772 1.00 0.00 H new ATOM 0 HB2 ARG A 29 10.165 -3.036 -0.090 1.00 0.00 H new ATOM 0 HB3 ARG A 29 8.493 -3.543 -0.218 1.00 0.00 H new ATOM 0 HG2 ARG A 29 9.188 -5.773 0.822 1.00 0.00 H new ATOM 0 HG3 ARG A 29 10.765 -5.068 1.119 1.00 0.00 H new ATOM 0 HD2 ARG A 29 10.001 -3.956 2.950 1.00 0.00 H new ATOM 0 HD3 ARG A 29 8.707 -3.218 2.027 1.00 0.00 H new ATOM 0 HE ARG A 29 7.261 -4.663 3.089 1.00 0.00 H new ATOM 0 HH11 ARG A 29 10.397 -6.316 2.775 1.00 0.00 H new ATOM 0 HH12 ARG A 29 9.822 -7.781 3.579 1.00 0.00 H new ATOM 0 HH21 ARG A 29 6.533 -6.543 4.062 1.00 0.00 H new ATOM 0 HH22 ARG A 29 7.625 -7.910 4.309 1.00 0.00 H new ATOM 427 N VAL A 30 8.986 -3.117 -3.311 1.00 0.00 N ATOM 428 CA VAL A 30 9.041 -2.276 -4.495 1.00 0.00 C ATOM 429 C VAL A 30 8.105 -1.068 -4.384 1.00 0.00 C ATOM 430 O VAL A 30 7.107 -1.090 -3.650 1.00 0.00 O ATOM 431 CB VAL A 30 8.720 -3.109 -5.752 1.00 0.00 C ATOM 432 CG1 VAL A 30 9.739 -4.235 -5.967 1.00 0.00 C ATOM 433 CG2 VAL A 30 7.308 -3.713 -5.705 1.00 0.00 C ATOM 0 H VAL A 30 8.036 -3.280 -2.977 1.00 0.00 H new ATOM 0 HA VAL A 30 10.055 -1.885 -4.580 1.00 0.00 H new ATOM 0 HB VAL A 30 8.775 -2.413 -6.589 1.00 0.00 H new ATOM 0 HG11 VAL A 30 9.476 -4.797 -6.863 1.00 0.00 H new ATOM 0 HG12 VAL A 30 10.734 -3.807 -6.086 1.00 0.00 H new ATOM 0 HG13 VAL A 30 9.732 -4.902 -5.105 1.00 0.00 H new ATOM 0 HG21 VAL A 30 7.129 -4.291 -6.612 1.00 0.00 H new ATOM 0 HG22 VAL A 30 7.220 -4.365 -4.836 1.00 0.00 H new ATOM 0 HG23 VAL A 30 6.572 -2.912 -5.634 1.00 0.00 H new ATOM 443 N CYS A 31 8.445 -0.011 -5.131 1.00 0.00 N ATOM 444 CA CYS A 31 7.677 1.229 -5.184 1.00 0.00 C ATOM 445 C CYS A 31 6.287 0.941 -5.746 1.00 0.00 C ATOM 446 O CYS A 31 6.104 0.860 -6.958 1.00 0.00 O ATOM 447 CB CYS A 31 8.351 2.289 -6.064 1.00 0.00 C ATOM 448 SG CYS A 31 10.054 2.721 -5.675 1.00 0.00 S ATOM 0 H CYS A 31 9.275 0.002 -5.723 1.00 0.00 H new ATOM 0 HA CYS A 31 7.615 1.618 -4.168 1.00 0.00 H new ATOM 0 HB2 CYS A 31 8.318 1.941 -7.096 1.00 0.00 H new ATOM 0 HB3 CYS A 31 7.752 3.199 -6.015 1.00 0.00 H new ATOM 453 N THR A 32 5.302 0.802 -4.867 1.00 0.00 N ATOM 454 CA THR A 32 3.917 0.554 -5.226 1.00 0.00 C ATOM 455 C THR A 32 3.217 1.915 -5.138 1.00 0.00 C ATOM 456 O THR A 32 3.536 2.695 -4.243 1.00 0.00 O ATOM 457 CB THR A 32 3.382 -0.506 -4.259 1.00 0.00 C ATOM 458 OG1 THR A 32 4.253 -1.624 -4.307 1.00 0.00 O ATOM 459 CG2 THR A 32 1.961 -0.970 -4.588 1.00 0.00 C ATOM 0 H THR A 32 5.451 0.861 -3.860 1.00 0.00 H new ATOM 0 HA THR A 32 3.758 0.161 -6.230 1.00 0.00 H new ATOM 0 HB THR A 32 3.342 -0.056 -3.267 1.00 0.00 H new ATOM 0 HG1 THR A 32 5.122 -1.378 -3.926 1.00 0.00 H new ATOM 0 HG21 THR A 32 1.646 -1.720 -3.863 1.00 0.00 H new ATOM 0 HG22 THR A 32 1.282 -0.119 -4.547 1.00 0.00 H new ATOM 0 HG23 THR A 32 1.942 -1.402 -5.589 1.00 0.00 H new ATOM 467 N PRO A 33 2.331 2.276 -6.073 1.00 0.00 N ATOM 468 CA PRO A 33 1.719 3.594 -6.075 1.00 0.00 C ATOM 469 C PRO A 33 0.715 3.720 -4.932 1.00 0.00 C ATOM 470 O PRO A 33 0.147 2.715 -4.504 1.00 0.00 O ATOM 471 CB PRO A 33 1.043 3.709 -7.443 1.00 0.00 C ATOM 472 CG PRO A 33 0.671 2.262 -7.771 1.00 0.00 C ATOM 473 CD PRO A 33 1.797 1.442 -7.135 1.00 0.00 C ATOM 0 HA PRO A 33 2.443 4.394 -5.921 1.00 0.00 H new ATOM 0 HB2 PRO A 33 0.164 4.352 -7.405 1.00 0.00 H new ATOM 0 HB3 PRO A 33 1.715 4.131 -8.190 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -0.301 1.995 -7.357 1.00 0.00 H new ATOM 0 HG3 PRO A 33 0.615 2.097 -8.847 1.00 0.00 H new ATOM 0 HD2 PRO A 33 1.421 0.498 -6.741 1.00 0.00 H new ATOM 0 HD3 PRO A 33 2.567 1.198 -7.867 1.00 0.00 H new ATOM 481 N VAL A 34 0.500 4.943 -4.424 1.00 0.00 N ATOM 482 CA VAL A 34 -0.540 5.157 -3.417 1.00 0.00 C ATOM 483 C VAL A 34 -1.867 4.548 -3.900 1.00 0.00 C ATOM 484 O VAL A 34 -2.188 4.591 -5.091 1.00 0.00 O ATOM 485 CB VAL A 34 -0.704 6.645 -3.074 1.00 0.00 C ATOM 486 CG1 VAL A 34 0.365 7.114 -2.084 1.00 0.00 C ATOM 487 CG2 VAL A 34 -0.710 7.532 -4.321 1.00 0.00 C ATOM 0 H VAL A 34 1.021 5.779 -4.689 1.00 0.00 H new ATOM 0 HA VAL A 34 -0.235 4.654 -2.499 1.00 0.00 H new ATOM 0 HB VAL A 34 -1.679 6.746 -2.598 1.00 0.00 H new ATOM 0 HG11 VAL A 34 0.218 8.171 -1.864 1.00 0.00 H new ATOM 0 HG12 VAL A 34 0.286 6.537 -1.163 1.00 0.00 H new ATOM 0 HG13 VAL A 34 1.353 6.968 -2.520 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -0.828 8.574 -4.025 1.00 0.00 H new ATOM 0 HG22 VAL A 34 0.231 7.412 -4.858 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -1.537 7.243 -4.969 1.00 0.00 H new ATOM 497 N GLY A 35 -2.642 3.988 -2.969 1.00 0.00 N ATOM 498 CA GLY A 35 -3.841 3.235 -3.279 1.00 0.00 C ATOM 499 C GLY A 35 -4.881 4.118 -3.955 1.00 0.00 C ATOM 500 O GLY A 35 -5.578 4.895 -3.303 1.00 0.00 O ATOM 0 H GLY A 35 -2.445 4.050 -1.970 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -3.591 2.398 -3.931 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -4.257 2.813 -2.364 1.00 0.00 H new ATOM 504 N THR A 36 -4.979 3.983 -5.272 1.00 0.00 N ATOM 505 CA THR A 36 -5.875 4.743 -6.118 1.00 0.00 C ATOM 506 C THR A 36 -7.107 3.875 -6.392 1.00 0.00 C ATOM 507 O THR A 36 -7.073 2.663 -6.176 1.00 0.00 O ATOM 508 CB THR A 36 -5.093 5.132 -7.384 1.00 0.00 C ATOM 509 OG1 THR A 36 -3.894 5.784 -7.000 1.00 0.00 O ATOM 510 CG2 THR A 36 -5.867 6.087 -8.296 1.00 0.00 C ATOM 0 H THR A 36 -4.413 3.314 -5.794 1.00 0.00 H new ATOM 0 HA THR A 36 -6.230 5.665 -5.659 1.00 0.00 H new ATOM 0 HB THR A 36 -4.906 4.211 -7.936 1.00 0.00 H new ATOM 0 HG1 THR A 36 -3.349 5.175 -6.460 1.00 0.00 H new ATOM 0 HG21 THR A 36 -5.263 6.324 -9.172 1.00 0.00 H new ATOM 0 HG22 THR A 36 -6.796 5.614 -8.614 1.00 0.00 H new ATOM 0 HG23 THR A 36 -6.094 7.004 -7.753 1.00 0.00 H new ATOM 518 N SER A 37 -8.203 4.502 -6.821 1.00 0.00 N ATOM 519 CA SER A 37 -9.498 3.907 -7.096 1.00 0.00 C ATOM 520 C SER A 37 -9.437 2.459 -7.604 1.00 0.00 C ATOM 521 O SER A 37 -9.047 2.226 -8.746 1.00 0.00 O ATOM 522 CB SER A 37 -10.196 4.811 -8.121 1.00 0.00 C ATOM 523 OG SER A 37 -9.876 6.166 -7.849 1.00 0.00 O ATOM 0 H SER A 37 -8.202 5.507 -6.995 1.00 0.00 H new ATOM 0 HA SER A 37 -10.051 3.842 -6.159 1.00 0.00 H new ATOM 0 HB2 SER A 37 -9.880 4.547 -9.130 1.00 0.00 H new ATOM 0 HB3 SER A 37 -11.275 4.665 -8.076 1.00 0.00 H new ATOM 0 HG SER A 37 -10.320 6.745 -8.504 1.00 0.00 H new ATOM 529 N GLY A 38 -9.833 1.495 -6.767 1.00 0.00 N ATOM 530 CA GLY A 38 -9.898 0.085 -7.130 1.00 0.00 C ATOM 531 C GLY A 38 -8.709 -0.742 -6.639 1.00 0.00 C ATOM 532 O GLY A 38 -8.821 -1.965 -6.559 1.00 0.00 O ATOM 0 H GLY A 38 -10.120 1.680 -5.806 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -10.816 -0.341 -6.725 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -9.961 0.003 -8.215 1.00 0.00 H new ATOM 536 N GLU A 39 -7.570 -0.120 -6.317 1.00 0.00 N ATOM 537 CA GLU A 39 -6.420 -0.871 -5.832 1.00 0.00 C ATOM 538 C GLU A 39 -6.727 -1.495 -4.468 1.00 0.00 C ATOM 539 O GLU A 39 -7.527 -0.965 -3.695 1.00 0.00 O ATOM 540 CB GLU A 39 -5.170 0.013 -5.772 1.00 0.00 C ATOM 541 CG GLU A 39 -4.732 0.437 -7.180 1.00 0.00 C ATOM 542 CD GLU A 39 -3.374 1.126 -7.149 1.00 0.00 C ATOM 543 OE1 GLU A 39 -3.361 2.332 -6.824 1.00 0.00 O ATOM 544 OE2 GLU A 39 -2.377 0.431 -7.439 1.00 0.00 O ATOM 0 H GLU A 39 -7.426 0.888 -6.384 1.00 0.00 H new ATOM 0 HA GLU A 39 -6.215 -1.678 -6.535 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -5.374 0.897 -5.168 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -4.360 -0.528 -5.282 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -4.684 -0.438 -7.828 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -5.475 1.110 -7.608 1.00 0.00 H new ATOM 551 N ASP A 40 -6.092 -2.637 -4.189 1.00 0.00 N ATOM 552 CA ASP A 40 -6.266 -3.370 -2.947 1.00 0.00 C ATOM 553 C ASP A 40 -5.758 -2.559 -1.759 1.00 0.00 C ATOM 554 O ASP A 40 -4.843 -1.747 -1.894 1.00 0.00 O ATOM 555 CB ASP A 40 -5.561 -4.726 -3.039 1.00 0.00 C ATOM 556 CG ASP A 40 -6.202 -5.606 -4.106 1.00 0.00 C ATOM 557 OD1 ASP A 40 -7.283 -6.161 -3.814 1.00 0.00 O ATOM 558 OD2 ASP A 40 -5.615 -5.677 -5.207 1.00 0.00 O ATOM 0 H ASP A 40 -5.435 -3.078 -4.833 1.00 0.00 H new ATOM 0 HA ASP A 40 -7.330 -3.545 -2.788 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -4.507 -4.576 -3.272 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -5.606 -5.229 -2.073 1.00 0.00 H new ATOM 563 N CYS A 41 -6.354 -2.799 -0.592 1.00 0.00 N ATOM 564 CA CYS A 41 -6.025 -2.129 0.657 1.00 0.00 C ATOM 565 C CYS A 41 -6.080 -3.144 1.793 1.00 0.00 C ATOM 566 O CYS A 41 -6.562 -4.263 1.624 1.00 0.00 O ATOM 567 CB CYS A 41 -7.030 -1.000 0.937 1.00 0.00 C ATOM 568 SG CYS A 41 -6.536 0.198 2.195 1.00 0.00 S ATOM 0 H CYS A 41 -7.101 -3.486 -0.491 1.00 0.00 H new ATOM 0 HA CYS A 41 -5.025 -1.701 0.582 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -7.215 -0.465 0.006 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -7.976 -1.448 1.241 1.00 0.00 H new ATOM 573 N HIS A 42 -5.593 -2.726 2.953 1.00 0.00 N ATOM 574 CA HIS A 42 -5.655 -3.403 4.234 1.00 0.00 C ATOM 575 C HIS A 42 -5.923 -2.253 5.203 1.00 0.00 C ATOM 576 O HIS A 42 -5.196 -1.260 5.125 1.00 0.00 O ATOM 577 CB HIS A 42 -4.331 -4.116 4.545 1.00 0.00 C ATOM 578 CG HIS A 42 -4.353 -4.896 5.835 1.00 0.00 C ATOM 579 ND1 HIS A 42 -4.795 -4.338 7.035 1.00 0.00 N ATOM 580 CD2 HIS A 42 -4.004 -6.199 6.064 1.00 0.00 C ATOM 581 CE1 HIS A 42 -4.736 -5.336 7.921 1.00 0.00 C ATOM 582 NE2 HIS A 42 -4.259 -6.472 7.391 1.00 0.00 N ATOM 0 H HIS A 42 -5.106 -1.833 3.024 1.00 0.00 H new ATOM 0 HA HIS A 42 -6.411 -4.186 4.282 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -4.091 -4.793 3.725 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -3.532 -3.376 4.591 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -3.602 -6.889 5.337 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -5.040 -5.239 8.953 1.00 0.00 H new ATOM 0 HE2 HIS A 42 -4.114 -7.359 7.873 1.00 0.00 H new ATOM 590 N PRO A 43 -6.941 -2.316 6.073 1.00 0.00 N ATOM 591 CA PRO A 43 -7.262 -1.213 6.969 1.00 0.00 C ATOM 592 C PRO A 43 -6.074 -0.793 7.840 1.00 0.00 C ATOM 593 O PRO A 43 -6.017 0.358 8.264 1.00 0.00 O ATOM 594 CB PRO A 43 -8.455 -1.690 7.804 1.00 0.00 C ATOM 595 CG PRO A 43 -8.376 -3.216 7.724 1.00 0.00 C ATOM 596 CD PRO A 43 -7.800 -3.460 6.330 1.00 0.00 C ATOM 0 HA PRO A 43 -7.508 -0.314 6.404 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -8.387 -1.340 8.834 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -9.398 -1.317 7.403 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -7.735 -3.628 8.503 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -9.357 -3.677 7.842 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -7.237 -4.393 6.293 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -8.591 -3.535 5.584 1.00 0.00 H new ATOM 604 N ALA A 44 -5.117 -1.696 8.091 1.00 0.00 N ATOM 605 CA ALA A 44 -3.937 -1.404 8.889 1.00 0.00 C ATOM 606 C ALA A 44 -2.711 -1.105 8.018 1.00 0.00 C ATOM 607 O ALA A 44 -1.592 -1.193 8.521 1.00 0.00 O ATOM 608 CB ALA A 44 -3.672 -2.568 9.849 1.00 0.00 C ATOM 0 H ALA A 44 -5.148 -2.653 7.740 1.00 0.00 H new ATOM 0 HA ALA A 44 -4.127 -0.500 9.468 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -2.788 -2.351 10.448 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -4.532 -2.701 10.506 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -3.508 -3.481 9.277 1.00 0.00 H new ATOM 614 N SER A 45 -2.888 -0.750 6.735 1.00 0.00 N ATOM 615 CA SER A 45 -1.781 -0.341 5.886 1.00 0.00 C ATOM 616 C SER A 45 -1.108 0.861 6.554 1.00 0.00 C ATOM 617 O SER A 45 -1.675 1.952 6.566 1.00 0.00 O ATOM 618 CB SER A 45 -2.302 0.044 4.497 1.00 0.00 C ATOM 619 OG SER A 45 -2.801 -1.080 3.801 1.00 0.00 O ATOM 0 H SER A 45 -3.796 -0.741 6.270 1.00 0.00 H new ATOM 0 HA SER A 45 -1.067 -1.155 5.763 1.00 0.00 H new ATOM 0 HB2 SER A 45 -3.090 0.791 4.597 1.00 0.00 H new ATOM 0 HB3 SER A 45 -1.499 0.503 3.920 1.00 0.00 H new ATOM 0 HG SER A 45 -3.681 -1.321 4.157 1.00 0.00 H new ATOM 625 N HIS A 46 0.094 0.658 7.102 1.00 0.00 N ATOM 626 CA HIS A 46 0.838 1.652 7.870 1.00 0.00 C ATOM 627 C HIS A 46 0.853 3.009 7.178 1.00 0.00 C ATOM 628 O HIS A 46 1.077 3.066 5.970 1.00 0.00 O ATOM 629 CB HIS A 46 2.275 1.174 8.085 1.00 0.00 C ATOM 630 CG HIS A 46 2.358 -0.271 8.478 1.00 0.00 C ATOM 631 ND1 HIS A 46 2.346 -1.277 7.511 1.00 0.00 N ATOM 632 CD2 HIS A 46 2.276 -0.833 9.720 1.00 0.00 C ATOM 633 CE1 HIS A 46 2.298 -2.413 8.214 1.00 0.00 C ATOM 634 NE2 HIS A 46 2.257 -2.202 9.541 1.00 0.00 N ATOM 0 H HIS A 46 0.588 -0.230 7.019 1.00 0.00 H new ATOM 0 HA HIS A 46 0.335 1.769 8.830 1.00 0.00 H new ATOM 0 HB2 HIS A 46 2.845 1.329 7.169 1.00 0.00 H new ATOM 0 HB3 HIS A 46 2.743 1.783 8.859 1.00 0.00 H new ATOM 0 HD2 HIS A 46 2.234 -0.307 10.662 1.00 0.00 H new ATOM 0 HE1 HIS A 46 2.293 -3.395 7.764 1.00 0.00 H new ATOM 0 HE2 HIS A 46 2.219 -2.913 10.271 1.00 0.00 H new ATOM 642 N LYS A 47 0.653 4.095 7.922 1.00 0.00 N ATOM 643 CA LYS A 47 0.609 5.427 7.331 1.00 0.00 C ATOM 644 C LYS A 47 1.908 5.773 6.595 1.00 0.00 C ATOM 645 O LYS A 47 2.963 5.209 6.874 1.00 0.00 O ATOM 646 CB LYS A 47 0.251 6.477 8.389 1.00 0.00 C ATOM 647 CG LYS A 47 -1.112 6.220 9.051 1.00 0.00 C ATOM 648 CD LYS A 47 -2.224 6.024 8.012 1.00 0.00 C ATOM 649 CE LYS A 47 -3.605 6.107 8.671 1.00 0.00 C ATOM 650 NZ LYS A 47 -4.678 5.819 7.703 1.00 0.00 N ATOM 0 H LYS A 47 0.519 4.077 8.933 1.00 0.00 H new ATOM 0 HA LYS A 47 -0.179 5.431 6.578 1.00 0.00 H new ATOM 0 HB2 LYS A 47 1.025 6.490 9.156 1.00 0.00 H new ATOM 0 HB3 LYS A 47 0.244 7.464 7.926 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -1.047 5.335 9.685 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -1.365 7.059 9.700 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -2.140 6.784 7.235 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -2.106 5.056 7.525 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -3.659 5.399 9.498 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -3.750 7.102 9.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -5.601 5.883 8.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -4.640 6.510 6.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -4.552 4.861 7.320 1.00 0.00 H new ATOM 664 N ILE A 48 1.806 6.667 5.610 1.00 0.00 N ATOM 665 CA ILE A 48 2.934 7.109 4.795 1.00 0.00 C ATOM 666 C ILE A 48 3.558 8.336 5.474 1.00 0.00 C ATOM 667 O ILE A 48 2.807 9.204 5.918 1.00 0.00 O ATOM 668 CB ILE A 48 2.452 7.457 3.369 1.00 0.00 C ATOM 669 CG1 ILE A 48 1.651 6.286 2.773 1.00 0.00 C ATOM 670 CG2 ILE A 48 3.629 7.821 2.448 1.00 0.00 C ATOM 671 CD1 ILE A 48 1.214 6.514 1.326 1.00 0.00 C ATOM 0 H ILE A 48 0.923 7.110 5.354 1.00 0.00 H new ATOM 0 HA ILE A 48 3.678 6.317 4.710 1.00 0.00 H new ATOM 0 HB ILE A 48 1.804 8.330 3.442 1.00 0.00 H new ATOM 0 HG12 ILE A 48 2.256 5.381 2.822 1.00 0.00 H new ATOM 0 HG13 ILE A 48 0.767 6.112 3.387 1.00 0.00 H new ATOM 0 HG21 ILE A 48 3.252 8.060 1.453 1.00 0.00 H new ATOM 0 HG22 ILE A 48 4.155 8.685 2.854 1.00 0.00 H new ATOM 0 HG23 ILE A 48 4.315 6.976 2.383 1.00 0.00 H new ATOM 0 HD11 ILE A 48 0.655 5.647 0.974 1.00 0.00 H new ATOM 0 HD12 ILE A 48 0.581 7.400 1.272 1.00 0.00 H new ATOM 0 HD13 ILE A 48 2.094 6.658 0.699 1.00 0.00 H new ATOM 683 N PRO A 49 4.894 8.471 5.533 1.00 0.00 N ATOM 684 CA PRO A 49 5.894 7.490 5.141 1.00 0.00 C ATOM 685 C PRO A 49 6.095 6.471 6.264 1.00 0.00 C ATOM 686 O PRO A 49 6.280 6.853 7.419 1.00 0.00 O ATOM 687 CB PRO A 49 7.171 8.302 4.920 1.00 0.00 C ATOM 688 CG PRO A 49 7.039 9.451 5.922 1.00 0.00 C ATOM 689 CD PRO A 49 5.530 9.701 5.977 1.00 0.00 C ATOM 0 HA PRO A 49 5.605 6.931 4.251 1.00 0.00 H new ATOM 0 HB2 PRO A 49 8.064 7.706 5.108 1.00 0.00 H new ATOM 0 HB3 PRO A 49 7.242 8.668 3.896 1.00 0.00 H new ATOM 0 HG2 PRO A 49 7.437 9.180 6.900 1.00 0.00 H new ATOM 0 HG3 PRO A 49 7.581 10.337 5.592 1.00 0.00 H new ATOM 0 HD2 PRO A 49 5.215 9.958 6.989 1.00 0.00 H new ATOM 0 HD3 PRO A 49 5.251 10.536 5.335 1.00 0.00 H new ATOM 697 N PHE A 50 6.128 5.181 5.929 1.00 0.00 N ATOM 698 CA PHE A 50 6.346 4.136 6.913 1.00 0.00 C ATOM 699 C PHE A 50 7.814 3.747 6.865 1.00 0.00 C ATOM 700 O PHE A 50 8.260 3.050 5.952 1.00 0.00 O ATOM 701 CB PHE A 50 5.463 2.916 6.638 1.00 0.00 C ATOM 702 CG PHE A 50 5.627 1.805 7.661 1.00 0.00 C ATOM 703 CD1 PHE A 50 5.363 2.054 9.022 1.00 0.00 C ATOM 704 CD2 PHE A 50 6.035 0.520 7.259 1.00 0.00 C ATOM 705 CE1 PHE A 50 5.472 1.018 9.966 1.00 0.00 C ATOM 706 CE2 PHE A 50 6.103 -0.525 8.196 1.00 0.00 C ATOM 707 CZ PHE A 50 5.828 -0.276 9.550 1.00 0.00 C ATOM 0 H PHE A 50 6.005 4.840 4.976 1.00 0.00 H new ATOM 0 HA PHE A 50 6.080 4.507 7.903 1.00 0.00 H new ATOM 0 HB2 PHE A 50 4.419 3.230 6.619 1.00 0.00 H new ATOM 0 HB3 PHE A 50 5.696 2.524 5.648 1.00 0.00 H new ATOM 0 HD1 PHE A 50 5.076 3.045 9.342 1.00 0.00 H new ATOM 0 HD2 PHE A 50 6.297 0.336 6.227 1.00 0.00 H new ATOM 0 HE1 PHE A 50 5.282 1.217 11.010 1.00 0.00 H new ATOM 0 HE2 PHE A 50 6.367 -1.521 7.874 1.00 0.00 H new ATOM 0 HZ PHE A 50 5.890 -1.078 10.271 1.00 0.00 H new ATOM 717 N SER A 51 8.573 4.209 7.859 1.00 0.00 N ATOM 718 CA SER A 51 9.984 3.893 7.990 1.00 0.00 C ATOM 719 C SER A 51 10.140 2.468 8.533 1.00 0.00 C ATOM 720 O SER A 51 10.704 2.271 9.607 1.00 0.00 O ATOM 721 CB SER A 51 10.656 4.935 8.888 1.00 0.00 C ATOM 722 OG SER A 51 10.496 6.221 8.317 1.00 0.00 O ATOM 0 H SER A 51 8.218 4.816 8.597 1.00 0.00 H new ATOM 0 HA SER A 51 10.477 3.929 7.018 1.00 0.00 H new ATOM 0 HB2 SER A 51 10.216 4.910 9.885 1.00 0.00 H new ATOM 0 HB3 SER A 51 11.715 4.705 9.001 1.00 0.00 H new ATOM 0 HG SER A 51 10.924 6.890 8.892 1.00 0.00 H new ATOM 728 N GLY A 52 9.641 1.478 7.790 1.00 0.00 N ATOM 729 CA GLY A 52 9.710 0.076 8.152 1.00 0.00 C ATOM 730 C GLY A 52 9.295 -0.777 6.957 1.00 0.00 C ATOM 731 O GLY A 52 8.836 -0.259 5.941 1.00 0.00 O ATOM 0 H GLY A 52 9.168 1.641 6.901 1.00 0.00 H new ATOM 0 HA2 GLY A 52 10.723 -0.181 8.462 1.00 0.00 H new ATOM 0 HA3 GLY A 52 9.056 -0.124 9.001 1.00 0.00 H new ATOM 735 N GLN A 53 9.463 -2.093 7.085 1.00 0.00 N ATOM 736 CA GLN A 53 9.128 -3.057 6.050 1.00 0.00 C ATOM 737 C GLN A 53 7.620 -3.308 6.087 1.00 0.00 C ATOM 738 O GLN A 53 7.118 -3.904 7.038 1.00 0.00 O ATOM 739 CB GLN A 53 9.920 -4.351 6.301 1.00 0.00 C ATOM 740 CG GLN A 53 11.368 -4.316 5.784 1.00 0.00 C ATOM 741 CD GLN A 53 12.160 -3.077 6.194 1.00 0.00 C ATOM 742 OE1 GLN A 53 12.868 -3.074 7.197 1.00 0.00 O ATOM 743 NE2 GLN A 53 12.077 -2.006 5.413 1.00 0.00 N ATOM 0 H GLN A 53 9.843 -2.522 7.929 1.00 0.00 H new ATOM 0 HA GLN A 53 9.392 -2.681 5.062 1.00 0.00 H new ATOM 0 HB2 GLN A 53 9.934 -4.553 7.372 1.00 0.00 H new ATOM 0 HB3 GLN A 53 9.397 -5.181 5.827 1.00 0.00 H new ATOM 0 HG2 GLN A 53 11.891 -5.201 6.146 1.00 0.00 H new ATOM 0 HG3 GLN A 53 11.353 -4.378 4.696 1.00 0.00 H new ATOM 0 HE21 GLN A 53 11.484 -2.025 4.583 1.00 0.00 H new ATOM 0 HE22 GLN A 53 12.606 -1.165 5.643 1.00 0.00 H new ATOM 752 N ARG A 54 6.885 -2.821 5.083 1.00 0.00 N ATOM 753 CA ARG A 54 5.447 -3.035 4.993 1.00 0.00 C ATOM 754 C ARG A 54 5.163 -4.529 4.872 1.00 0.00 C ATOM 755 O ARG A 54 5.350 -5.109 3.806 1.00 0.00 O ATOM 756 CB ARG A 54 4.863 -2.297 3.783 1.00 0.00 C ATOM 757 CG ARG A 54 4.926 -0.784 3.988 1.00 0.00 C ATOM 758 CD ARG A 54 4.228 -0.036 2.849 1.00 0.00 C ATOM 759 NE ARG A 54 4.114 1.392 3.171 1.00 0.00 N ATOM 760 CZ ARG A 54 3.173 1.909 3.971 1.00 0.00 C ATOM 761 NH1 ARG A 54 2.244 1.112 4.509 1.00 0.00 N ATOM 762 NH2 ARG A 54 3.158 3.209 4.253 1.00 0.00 N ATOM 0 H ARG A 54 7.272 -2.271 4.316 1.00 0.00 H new ATOM 0 HA ARG A 54 4.977 -2.643 5.895 1.00 0.00 H new ATOM 0 HB2 ARG A 54 5.415 -2.570 2.884 1.00 0.00 H new ATOM 0 HB3 ARG A 54 3.829 -2.605 3.628 1.00 0.00 H new ATOM 0 HG2 ARG A 54 4.457 -0.524 4.937 1.00 0.00 H new ATOM 0 HG3 ARG A 54 5.967 -0.467 4.049 1.00 0.00 H new ATOM 0 HD2 ARG A 54 4.790 -0.163 1.924 1.00 0.00 H new ATOM 0 HD3 ARG A 54 3.237 -0.458 2.681 1.00 0.00 H new ATOM 0 HE ARG A 54 4.795 2.030 2.759 1.00 0.00 H new ATOM 0 HH11 ARG A 54 2.253 0.112 4.310 1.00 0.00 H new ATOM 0 HH12 ARG A 54 1.526 1.504 5.119 1.00 0.00 H new ATOM 0 HH21 ARG A 54 3.869 3.825 3.858 1.00 0.00 H new ATOM 0 HH22 ARG A 54 2.435 3.590 4.864 1.00 0.00 H new ATOM 776 N MET A 55 4.729 -5.160 5.962 1.00 0.00 N ATOM 777 CA MET A 55 4.399 -6.577 5.972 1.00 0.00 C ATOM 778 C MET A 55 3.186 -6.848 5.080 1.00 0.00 C ATOM 779 O MET A 55 3.152 -7.844 4.361 1.00 0.00 O ATOM 780 CB MET A 55 4.169 -7.047 7.415 1.00 0.00 C ATOM 781 CG MET A 55 5.419 -6.861 8.290 1.00 0.00 C ATOM 782 SD MET A 55 6.965 -7.603 7.690 1.00 0.00 S ATOM 783 CE MET A 55 6.518 -9.353 7.712 1.00 0.00 C ATOM 0 H MET A 55 4.597 -4.699 6.862 1.00 0.00 H new ATOM 0 HA MET A 55 5.233 -7.148 5.564 1.00 0.00 H new ATOM 0 HB2 MET A 55 3.338 -6.491 7.849 1.00 0.00 H new ATOM 0 HB3 MET A 55 3.882 -8.099 7.412 1.00 0.00 H new ATOM 0 HG2 MET A 55 5.585 -5.792 8.420 1.00 0.00 H new ATOM 0 HG3 MET A 55 5.206 -7.273 9.276 1.00 0.00 H new ATOM 0 HE1 MET A 55 7.375 -9.951 7.403 1.00 0.00 H new ATOM 0 HE2 MET A 55 6.220 -9.640 8.720 1.00 0.00 H new ATOM 0 HE3 MET A 55 5.689 -9.525 7.026 1.00 0.00 H new ATOM 793 N HIS A 56 2.185 -5.965 5.129 1.00 0.00 N ATOM 794 CA HIS A 56 0.991 -6.103 4.310 1.00 0.00 C ATOM 795 C HIS A 56 1.337 -5.871 2.843 1.00 0.00 C ATOM 796 O HIS A 56 2.024 -4.904 2.513 1.00 0.00 O ATOM 797 CB HIS A 56 -0.081 -5.095 4.740 1.00 0.00 C ATOM 798 CG HIS A 56 -0.455 -5.167 6.194 1.00 0.00 C ATOM 799 ND1 HIS A 56 -0.511 -4.020 6.981 1.00 0.00 N ATOM 800 CD2 HIS A 56 -0.756 -6.255 6.968 1.00 0.00 C ATOM 801 CE1 HIS A 56 -0.867 -4.455 8.191 1.00 0.00 C ATOM 802 NE2 HIS A 56 -1.018 -5.788 8.240 1.00 0.00 N ATOM 0 H HIS A 56 2.184 -5.144 5.734 1.00 0.00 H new ATOM 0 HA HIS A 56 0.602 -7.113 4.442 1.00 0.00 H new ATOM 0 HB2 HIS A 56 0.274 -4.089 4.518 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -0.976 -5.256 4.139 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -0.783 -7.285 6.644 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -1.018 -3.805 9.040 1.00 0.00 H new ATOM 0 HE2 HIS A 56 -1.275 -6.345 9.055 1.00 0.00 H new ATOM 810 N HIS A 57 0.818 -6.716 1.950 1.00 0.00 N ATOM 811 CA HIS A 57 1.028 -6.572 0.516 1.00 0.00 C ATOM 812 C HIS A 57 0.096 -5.490 -0.050 1.00 0.00 C ATOM 813 O HIS A 57 -0.640 -5.728 -1.006 1.00 0.00 O ATOM 814 CB HIS A 57 0.854 -7.931 -0.177 1.00 0.00 C ATOM 815 CG HIS A 57 1.654 -7.930 -1.445 1.00 0.00 C ATOM 816 ND1 HIS A 57 1.825 -6.741 -2.148 1.00 0.00 N ATOM 817 CD2 HIS A 57 2.533 -8.862 -1.925 1.00 0.00 C ATOM 818 CE1 HIS A 57 2.838 -6.977 -2.965 1.00 0.00 C ATOM 819 NE2 HIS A 57 3.312 -8.218 -2.859 1.00 0.00 N ATOM 0 H HIS A 57 0.241 -7.518 2.205 1.00 0.00 H new ATOM 0 HA HIS A 57 2.048 -6.242 0.321 1.00 0.00 H new ATOM 0 HB2 HIS A 57 1.187 -8.735 0.479 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -0.199 -8.112 -0.394 1.00 0.00 H new ATOM 0 HD1 HIS A 57 1.288 -5.879 -2.054 1.00 0.00 H new ATOM 0 HD2 HIS A 57 2.602 -9.898 -1.629 1.00 0.00 H new ATOM 0 HE1 HIS A 57 3.239 -6.241 -3.646 1.00 0.00 H new ATOM 827 N THR A 58 0.051 -4.322 0.597 1.00 0.00 N ATOM 828 CA THR A 58 -0.795 -3.214 0.194 1.00 0.00 C ATOM 829 C THR A 58 -0.090 -1.879 0.397 1.00 0.00 C ATOM 830 O THR A 58 0.931 -1.786 1.081 1.00 0.00 O ATOM 831 CB THR A 58 -2.139 -3.282 0.944 1.00 0.00 C ATOM 832 OG1 THR A 58 -1.943 -3.322 2.347 1.00 0.00 O ATOM 833 CG2 THR A 58 -2.917 -4.534 0.529 1.00 0.00 C ATOM 0 H THR A 58 0.612 -4.125 1.426 1.00 0.00 H new ATOM 0 HA THR A 58 -1.001 -3.296 -0.873 1.00 0.00 H new ATOM 0 HB THR A 58 -2.701 -2.385 0.684 1.00 0.00 H new ATOM 0 HG1 THR A 58 -2.291 -2.499 2.749 1.00 0.00 H new ATOM 0 HG21 THR A 58 -3.864 -4.569 1.067 1.00 0.00 H new ATOM 0 HG22 THR A 58 -3.110 -4.504 -0.543 1.00 0.00 H new ATOM 0 HG23 THR A 58 -2.332 -5.422 0.768 1.00 0.00 H new ATOM 841 N CYS A 59 -0.671 -0.839 -0.199 1.00 0.00 N ATOM 842 CA CYS A 59 -0.246 0.543 -0.102 1.00 0.00 C ATOM 843 C CYS A 59 -1.433 1.299 0.496 1.00 0.00 C ATOM 844 O CYS A 59 -2.565 1.007 0.107 1.00 0.00 O ATOM 845 CB CYS A 59 0.033 1.081 -1.507 1.00 0.00 C ATOM 846 SG CYS A 59 1.733 1.524 -1.870 1.00 0.00 S ATOM 0 H CYS A 59 -1.493 -0.951 -0.792 1.00 0.00 H new ATOM 0 HA CYS A 59 0.655 0.652 0.501 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -0.286 0.330 -2.230 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -0.590 1.961 -1.666 1.00 0.00 H new ATOM 851 N PRO A 60 -1.232 2.230 1.441 1.00 0.00 N ATOM 852 CA PRO A 60 -2.317 3.041 1.969 1.00 0.00 C ATOM 853 C PRO A 60 -2.992 3.821 0.840 1.00 0.00 C ATOM 854 O PRO A 60 -2.361 4.147 -0.168 1.00 0.00 O ATOM 855 CB PRO A 60 -1.683 3.994 2.986 1.00 0.00 C ATOM 856 CG PRO A 60 -0.397 3.273 3.376 1.00 0.00 C ATOM 857 CD PRO A 60 0.017 2.585 2.080 1.00 0.00 C ATOM 0 HA PRO A 60 -3.086 2.426 2.437 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -1.481 4.973 2.551 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -2.332 4.156 3.847 1.00 0.00 H new ATOM 0 HG2 PRO A 60 0.366 3.969 3.725 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -0.564 2.555 4.179 1.00 0.00 H new ATOM 0 HD2 PRO A 60 0.610 3.249 1.451 1.00 0.00 H new ATOM 0 HD3 PRO A 60 0.627 1.703 2.276 1.00 0.00 H new ATOM 865 N CYS A 61 -4.275 4.127 1.016 1.00 0.00 N ATOM 866 CA CYS A 61 -5.051 4.845 0.020 1.00 0.00 C ATOM 867 C CYS A 61 -4.518 6.258 -0.195 1.00 0.00 C ATOM 868 O CYS A 61 -4.076 6.907 0.752 1.00 0.00 O ATOM 869 CB CYS A 61 -6.527 4.870 0.419 1.00 0.00 C ATOM 870 SG CYS A 61 -7.331 3.260 0.563 1.00 0.00 S ATOM 0 H CYS A 61 -4.802 3.882 1.854 1.00 0.00 H new ATOM 0 HA CYS A 61 -4.955 4.317 -0.929 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -6.617 5.386 1.375 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -7.072 5.463 -0.316 1.00 0.00 H new ATOM 875 N ALA A 62 -4.550 6.736 -1.444 1.00 0.00 N ATOM 876 CA ALA A 62 -4.146 8.094 -1.762 1.00 0.00 C ATOM 877 C ALA A 62 -5.057 9.031 -0.957 1.00 0.00 C ATOM 878 O ALA A 62 -6.269 8.817 -1.007 1.00 0.00 O ATOM 879 CB ALA A 62 -4.278 8.334 -3.267 1.00 0.00 C ATOM 0 H ALA A 62 -4.855 6.191 -2.251 1.00 0.00 H new ATOM 0 HA ALA A 62 -3.104 8.277 -1.500 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -3.974 9.354 -3.501 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -3.640 7.633 -3.805 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -5.315 8.186 -3.569 1.00 0.00 H new ATOM 885 N PRO A 63 -4.512 10.009 -0.205 1.00 0.00 N ATOM 886 CA PRO A 63 -5.244 10.934 0.664 1.00 0.00 C ATOM 887 C PRO A 63 -6.506 11.565 0.072 1.00 0.00 C ATOM 888 O PRO A 63 -6.521 12.726 -0.328 1.00 0.00 O ATOM 889 CB PRO A 63 -4.223 11.979 1.110 1.00 0.00 C ATOM 890 CG PRO A 63 -2.977 11.113 1.221 1.00 0.00 C ATOM 891 CD PRO A 63 -3.082 10.216 -0.009 1.00 0.00 C ATOM 0 HA PRO A 63 -5.660 10.370 1.499 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -4.107 12.783 0.383 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -4.492 12.444 2.059 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -2.066 11.711 1.210 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -2.967 10.534 2.145 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -2.628 10.687 -0.881 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -2.564 9.270 0.147 1.00 0.00 H new ATOM 899 N ASN A 64 -7.571 10.770 0.082 1.00 0.00 N ATOM 900 CA ASN A 64 -8.913 11.042 -0.417 1.00 0.00 C ATOM 901 C ASN A 64 -9.679 9.719 -0.465 1.00 0.00 C ATOM 902 O ASN A 64 -10.764 9.617 0.099 1.00 0.00 O ATOM 903 CB ASN A 64 -8.879 11.700 -1.810 1.00 0.00 C ATOM 904 CG ASN A 64 -10.200 11.611 -2.572 1.00 0.00 C ATOM 905 OD1 ASN A 64 -10.207 11.393 -3.779 1.00 0.00 O ATOM 906 ND2 ASN A 64 -11.313 11.761 -1.871 1.00 0.00 N ATOM 0 H ASN A 64 -7.510 9.831 0.477 1.00 0.00 H new ATOM 0 HA ASN A 64 -9.411 11.745 0.251 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -8.606 12.749 -1.698 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -8.096 11.228 -2.404 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -12.220 11.696 -2.334 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -11.264 11.941 -0.868 1.00 0.00 H new ATOM 913 N LEU A 65 -9.109 8.710 -1.129 1.00 0.00 N ATOM 914 CA LEU A 65 -9.750 7.413 -1.299 1.00 0.00 C ATOM 915 C LEU A 65 -9.945 6.740 0.063 1.00 0.00 C ATOM 916 O LEU A 65 -9.099 6.867 0.948 1.00 0.00 O ATOM 917 CB LEU A 65 -8.899 6.521 -2.212 1.00 0.00 C ATOM 918 CG LEU A 65 -8.863 6.859 -3.708 1.00 0.00 C ATOM 919 CD1 LEU A 65 -10.217 6.622 -4.375 1.00 0.00 C ATOM 920 CD2 LEU A 65 -8.368 8.276 -3.998 1.00 0.00 C ATOM 0 H LEU A 65 -8.188 8.774 -1.563 1.00 0.00 H new ATOM 0 HA LEU A 65 -10.726 7.560 -1.761 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -7.875 6.540 -1.839 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -9.257 5.497 -2.108 1.00 0.00 H new ATOM 0 HG LEU A 65 -8.135 6.174 -4.142 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -10.150 6.873 -5.434 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -10.497 5.574 -4.267 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -10.971 7.250 -3.900 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -8.368 8.448 -5.074 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -9.027 8.998 -3.515 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -7.356 8.394 -3.611 1.00 0.00 H new ATOM 932 N ALA A 66 -11.050 6.006 0.221 1.00 0.00 N ATOM 933 CA ALA A 66 -11.408 5.325 1.456 1.00 0.00 C ATOM 934 C ALA A 66 -11.053 3.840 1.380 1.00 0.00 C ATOM 935 O ALA A 66 -11.425 3.158 0.425 1.00 0.00 O ATOM 936 CB ALA A 66 -12.908 5.501 1.706 1.00 0.00 C ATOM 0 H ALA A 66 -11.731 5.869 -0.526 1.00 0.00 H new ATOM 0 HA ALA A 66 -10.845 5.761 2.281 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -13.185 4.993 2.630 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -13.141 6.562 1.791 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -13.468 5.073 0.875 1.00 0.00 H new ATOM 942 N CYS A 67 -10.356 3.332 2.401 1.00 0.00 N ATOM 943 CA CYS A 67 -9.999 1.922 2.517 1.00 0.00 C ATOM 944 C CYS A 67 -11.242 1.194 3.032 1.00 0.00 C ATOM 945 O CYS A 67 -11.534 1.279 4.223 1.00 0.00 O ATOM 946 CB CYS A 67 -8.835 1.770 3.509 1.00 0.00 C ATOM 947 SG CYS A 67 -8.089 0.130 3.591 1.00 0.00 S ATOM 0 H CYS A 67 -10.021 3.900 3.179 1.00 0.00 H new ATOM 0 HA CYS A 67 -9.681 1.507 1.560 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -8.060 2.489 3.245 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -9.192 2.037 4.504 1.00 0.00 H new ATOM 952 N VAL A 68 -11.999 0.524 2.156 1.00 0.00 N ATOM 953 CA VAL A 68 -13.246 -0.154 2.511 1.00 0.00 C ATOM 954 C VAL A 68 -13.194 -1.638 2.169 1.00 0.00 C ATOM 955 O VAL A 68 -12.494 -2.061 1.252 1.00 0.00 O ATOM 956 CB VAL A 68 -14.445 0.560 1.867 1.00 0.00 C ATOM 957 CG1 VAL A 68 -14.316 0.673 0.342 1.00 0.00 C ATOM 958 CG2 VAL A 68 -15.795 -0.077 2.222 1.00 0.00 C ATOM 0 H VAL A 68 -11.758 0.438 1.169 1.00 0.00 H new ATOM 0 HA VAL A 68 -13.376 -0.098 3.592 1.00 0.00 H new ATOM 0 HB VAL A 68 -14.426 1.563 2.294 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -15.190 1.185 -0.060 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -13.418 1.238 0.094 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -14.249 -0.324 -0.092 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -16.598 0.476 1.735 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -15.809 -1.112 1.882 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -15.938 -0.048 3.302 1.00 0.00 H new ATOM 968 N GLN A 69 -13.938 -2.428 2.940 1.00 0.00 N ATOM 969 CA GLN A 69 -13.989 -3.873 2.800 1.00 0.00 C ATOM 970 C GLN A 69 -14.802 -4.265 1.567 1.00 0.00 C ATOM 971 O GLN A 69 -15.822 -3.646 1.274 1.00 0.00 O ATOM 972 CB GLN A 69 -14.441 -4.493 4.131 1.00 0.00 C ATOM 973 CG GLN A 69 -15.956 -4.534 4.337 1.00 0.00 C ATOM 974 CD GLN A 69 -16.665 -5.614 3.521 1.00 0.00 C ATOM 975 OE1 GLN A 69 -15.977 -6.699 3.170 1.00 0.00 O flip ATOM 976 NE2 GLN A 69 -17.830 -5.467 3.175 1.00 0.00 N flip ATOM 0 H GLN A 69 -14.530 -2.072 3.690 1.00 0.00 H new ATOM 0 HA GLN A 69 -13.001 -4.291 2.605 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -14.052 -5.509 4.193 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -13.992 -3.930 4.949 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -16.164 -4.697 5.394 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -16.374 -3.562 4.075 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -18.343 -4.630 3.452 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -18.288 -6.182 2.609 1.00 0.00 H new ATOM 985 N THR A 70 -14.335 -5.286 0.849 1.00 0.00 N ATOM 986 CA THR A 70 -14.987 -5.838 -0.335 1.00 0.00 C ATOM 987 C THR A 70 -15.377 -7.298 -0.086 1.00 0.00 C ATOM 988 O THR A 70 -16.330 -7.811 -0.669 1.00 0.00 O ATOM 989 CB THR A 70 -14.089 -5.649 -1.563 1.00 0.00 C ATOM 990 OG1 THR A 70 -12.825 -6.260 -1.392 1.00 0.00 O ATOM 991 CG2 THR A 70 -13.881 -4.155 -1.824 1.00 0.00 C ATOM 0 H THR A 70 -13.466 -5.765 1.084 1.00 0.00 H new ATOM 0 HA THR A 70 -15.913 -5.300 -0.540 1.00 0.00 H new ATOM 0 HB THR A 70 -14.588 -6.122 -2.408 1.00 0.00 H new ATOM 0 HG1 THR A 70 -12.706 -6.508 -0.451 1.00 0.00 H new ATOM 0 HG21 THR A 70 -13.242 -4.024 -2.697 1.00 0.00 H new ATOM 0 HG22 THR A 70 -14.845 -3.680 -2.005 1.00 0.00 H new ATOM 0 HG23 THR A 70 -13.407 -3.696 -0.956 1.00 0.00 H new ATOM 999 N SER A 71 -14.641 -7.987 0.787 1.00 0.00 N ATOM 1000 CA SER A 71 -14.920 -9.335 1.259 1.00 0.00 C ATOM 1001 C SER A 71 -14.204 -9.434 2.610 1.00 0.00 C ATOM 1002 O SER A 71 -13.540 -8.471 3.003 1.00 0.00 O ATOM 1003 CB SER A 71 -14.434 -10.385 0.244 1.00 0.00 C ATOM 1004 OG SER A 71 -14.558 -9.930 -1.091 1.00 0.00 O ATOM 0 H SER A 71 -13.794 -7.597 1.201 1.00 0.00 H new ATOM 0 HA SER A 71 -15.986 -9.531 1.371 1.00 0.00 H new ATOM 0 HB2 SER A 71 -13.392 -10.631 0.448 1.00 0.00 H new ATOM 0 HB3 SER A 71 -15.008 -11.303 0.369 1.00 0.00 H new ATOM 0 HG SER A 71 -15.015 -10.611 -1.628 1.00 0.00 H new ATOM 1010 N PRO A 72 -14.363 -10.532 3.359 1.00 0.00 N ATOM 1011 CA PRO A 72 -13.608 -10.757 4.578 1.00 0.00 C ATOM 1012 C PRO A 72 -12.115 -10.538 4.303 1.00 0.00 C ATOM 1013 O PRO A 72 -11.530 -11.252 3.489 1.00 0.00 O ATOM 1014 CB PRO A 72 -13.927 -12.201 4.977 1.00 0.00 C ATOM 1015 CG PRO A 72 -15.356 -12.383 4.464 1.00 0.00 C ATOM 1016 CD PRO A 72 -15.379 -11.552 3.178 1.00 0.00 C ATOM 0 HA PRO A 72 -13.868 -10.071 5.384 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -13.238 -12.910 4.517 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -13.862 -12.347 6.055 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -15.583 -13.431 4.269 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -16.091 -12.027 5.186 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -15.164 -12.171 2.307 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -16.360 -11.105 3.017 1.00 0.00 H new ATOM 1024 N LYS A 73 -11.522 -9.515 4.927 1.00 0.00 N ATOM 1025 CA LYS A 73 -10.124 -9.106 4.791 1.00 0.00 C ATOM 1026 C LYS A 73 -9.855 -8.407 3.454 1.00 0.00 C ATOM 1027 O LYS A 73 -9.193 -7.372 3.445 1.00 0.00 O ATOM 1028 CB LYS A 73 -9.145 -10.270 5.017 1.00 0.00 C ATOM 1029 CG LYS A 73 -9.427 -11.034 6.320 1.00 0.00 C ATOM 1030 CD LYS A 73 -8.519 -12.263 6.484 1.00 0.00 C ATOM 1031 CE LYS A 73 -8.614 -13.265 5.323 1.00 0.00 C ATOM 1032 NZ LYS A 73 -10.009 -13.558 4.942 1.00 0.00 N ATOM 0 H LYS A 73 -12.035 -8.918 5.576 1.00 0.00 H new ATOM 0 HA LYS A 73 -9.944 -8.379 5.583 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -9.206 -10.960 4.175 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -8.126 -9.884 5.040 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -9.286 -10.365 7.169 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -10.470 -11.351 6.334 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -7.486 -11.929 6.580 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -8.777 -12.772 7.413 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -8.081 -12.867 4.460 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -8.116 -14.192 5.606 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -10.029 -14.379 4.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -10.565 -13.769 5.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -10.417 -12.733 4.458 1.00 0.00 H new ATOM 1046 N LYS A 74 -10.340 -8.955 2.332 1.00 0.00 N ATOM 1047 CA LYS A 74 -10.163 -8.336 1.020 1.00 0.00 C ATOM 1048 C LYS A 74 -10.754 -6.925 1.075 1.00 0.00 C ATOM 1049 O LYS A 74 -11.971 -6.758 1.203 1.00 0.00 O ATOM 1050 CB LYS A 74 -10.819 -9.172 -0.087 1.00 0.00 C ATOM 1051 CG LYS A 74 -10.369 -8.695 -1.477 1.00 0.00 C ATOM 1052 CD LYS A 74 -11.319 -9.101 -2.614 1.00 0.00 C ATOM 1053 CE LYS A 74 -11.343 -10.601 -2.931 1.00 0.00 C ATOM 1054 NZ LYS A 74 -12.146 -11.365 -1.961 1.00 0.00 N ATOM 0 H LYS A 74 -10.861 -9.832 2.312 1.00 0.00 H new ATOM 0 HA LYS A 74 -9.101 -8.283 0.779 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -10.559 -10.222 0.043 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -11.904 -9.100 -0.007 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -10.276 -7.609 -1.465 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -9.377 -9.097 -1.685 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -12.329 -8.783 -2.355 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -11.036 -8.558 -3.516 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -11.747 -10.752 -3.932 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -10.323 -10.985 -2.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -12.431 -12.271 -2.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -11.580 -11.544 -1.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -12.994 -10.820 -1.706 1.00 0.00 H new ATOM 1068 N PHE A 75 -9.901 -5.908 0.954 1.00 0.00 N ATOM 1069 CA PHE A 75 -10.307 -4.524 1.134 1.00 0.00 C ATOM 1070 C PHE A 75 -9.739 -3.778 -0.071 1.00 0.00 C ATOM 1071 O PHE A 75 -8.759 -4.227 -0.668 1.00 0.00 O ATOM 1072 CB PHE A 75 -9.679 -3.989 2.434 1.00 0.00 C ATOM 1073 CG PHE A 75 -10.575 -3.589 3.587 1.00 0.00 C ATOM 1074 CD1 PHE A 75 -11.046 -4.592 4.460 1.00 0.00 C ATOM 1075 CD2 PHE A 75 -10.693 -2.241 3.957 1.00 0.00 C ATOM 1076 CE1 PHE A 75 -11.535 -4.255 5.732 1.00 0.00 C ATOM 1077 CE2 PHE A 75 -11.231 -1.900 5.210 1.00 0.00 C ATOM 1078 CZ PHE A 75 -11.636 -2.905 6.105 1.00 0.00 C ATOM 0 H PHE A 75 -8.913 -6.025 0.729 1.00 0.00 H new ATOM 0 HA PHE A 75 -11.388 -4.405 1.204 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -8.993 -4.752 2.803 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -9.077 -3.119 2.172 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -11.030 -5.626 4.148 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -10.370 -1.465 3.279 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -11.832 -5.031 6.421 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -11.334 -0.861 5.486 1.00 0.00 H new ATOM 0 HZ PHE A 75 -12.024 -2.640 7.077 1.00 0.00 H new ATOM 1088 N LYS A 76 -10.348 -2.655 -0.438 1.00 0.00 N ATOM 1089 CA LYS A 76 -9.943 -1.839 -1.575 1.00 0.00 C ATOM 1090 C LYS A 76 -10.050 -0.349 -1.258 1.00 0.00 C ATOM 1091 O LYS A 76 -10.773 0.058 -0.349 1.00 0.00 O ATOM 1092 CB LYS A 76 -10.793 -2.167 -2.813 1.00 0.00 C ATOM 1093 CG LYS A 76 -10.483 -3.556 -3.384 1.00 0.00 C ATOM 1094 CD LYS A 76 -11.113 -3.722 -4.775 1.00 0.00 C ATOM 1095 CE LYS A 76 -10.565 -4.952 -5.508 1.00 0.00 C ATOM 1096 NZ LYS A 76 -9.129 -4.809 -5.816 1.00 0.00 N ATOM 0 H LYS A 76 -11.155 -2.279 0.059 1.00 0.00 H new ATOM 0 HA LYS A 76 -8.900 -2.073 -1.786 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -11.849 -2.113 -2.550 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -10.617 -1.414 -3.581 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -9.404 -3.696 -3.449 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -10.865 -4.325 -2.712 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -12.195 -3.811 -4.675 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -10.920 -2.829 -5.370 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -10.719 -5.840 -4.895 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -11.122 -5.103 -6.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -8.899 -5.363 -6.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -8.908 -3.807 -5.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -8.566 -5.157 -5.014 1.00 0.00 H new ATOM 1110 N CYS A 77 -9.323 0.457 -2.034 1.00 0.00 N ATOM 1111 CA CYS A 77 -9.330 1.908 -1.958 1.00 0.00 C ATOM 1112 C CYS A 77 -10.413 2.396 -2.910 1.00 0.00 C ATOM 1113 O CYS A 77 -10.205 2.392 -4.122 1.00 0.00 O ATOM 1114 CB CYS A 77 -7.955 2.457 -2.348 1.00 0.00 C ATOM 1115 SG CYS A 77 -6.688 2.167 -1.093 1.00 0.00 S ATOM 0 H CYS A 77 -8.695 0.100 -2.754 1.00 0.00 H new ATOM 0 HA CYS A 77 -9.538 2.255 -0.946 1.00 0.00 H new ATOM 0 HB2 CYS A 77 -7.640 1.998 -3.285 1.00 0.00 H new ATOM 0 HB3 CYS A 77 -8.038 3.528 -2.530 1.00 0.00 H new ATOM 1120 N LEU A 78 -11.577 2.778 -2.378 1.00 0.00 N ATOM 1121 CA LEU A 78 -12.722 3.209 -3.173 1.00 0.00 C ATOM 1122 C LEU A 78 -12.936 4.716 -3.066 1.00 0.00 C ATOM 1123 O LEU A 78 -12.420 5.379 -2.165 1.00 0.00 O ATOM 1124 CB LEU A 78 -13.965 2.423 -2.731 1.00 0.00 C ATOM 1125 CG LEU A 78 -15.201 2.514 -3.645 1.00 0.00 C ATOM 1126 CD1 LEU A 78 -14.907 2.038 -5.075 1.00 0.00 C ATOM 1127 CD2 LEU A 78 -16.312 1.639 -3.053 1.00 0.00 C ATOM 0 H LEU A 78 -11.749 2.796 -1.373 1.00 0.00 H new ATOM 0 HA LEU A 78 -12.530 2.999 -4.225 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -13.688 1.373 -2.637 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -14.250 2.768 -1.737 1.00 0.00 H new ATOM 0 HG LEU A 78 -15.501 3.561 -3.699 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -15.810 2.122 -5.679 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -14.121 2.655 -5.510 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -14.581 0.998 -5.053 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -17.195 1.693 -3.689 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -15.969 0.606 -2.994 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -16.562 1.995 -2.054 1.00 0.00 H new ATOM 1139 N SER A 79 -13.692 5.240 -4.027 1.00 0.00 N ATOM 1140 CA SER A 79 -14.069 6.633 -4.166 1.00 0.00 C ATOM 1141 C SER A 79 -14.695 7.176 -2.881 1.00 0.00 C ATOM 1142 O SER A 79 -15.476 6.477 -2.234 1.00 0.00 O ATOM 1143 CB SER A 79 -15.070 6.723 -5.323 1.00 0.00 C ATOM 1144 OG SER A 79 -14.671 5.843 -6.363 1.00 0.00 O ATOM 0 H SER A 79 -14.079 4.662 -4.773 1.00 0.00 H new ATOM 0 HA SER A 79 -13.184 7.236 -4.366 1.00 0.00 H new ATOM 0 HB2 SER A 79 -16.069 6.462 -4.975 1.00 0.00 H new ATOM 0 HB3 SER A 79 -15.120 7.746 -5.696 1.00 0.00 H new ATOM 0 HG SER A 79 -15.312 5.899 -7.102 1.00 0.00 H new ATOM 1150 N LYS A 80 -14.377 8.423 -2.540 1.00 0.00 N ATOM 1151 CA LYS A 80 -14.863 9.154 -1.390 1.00 0.00 C ATOM 1152 C LYS A 80 -14.507 10.615 -1.692 1.00 0.00 C ATOM 1153 O LYS A 80 -15.066 11.514 -1.028 1.00 0.00 O ATOM 1154 CB LYS A 80 -14.217 8.584 -0.111 1.00 0.00 C ATOM 1155 CG LYS A 80 -14.586 9.366 1.158 1.00 0.00 C ATOM 1156 CD LYS A 80 -13.517 10.425 1.474 1.00 0.00 C ATOM 1157 CE LYS A 80 -14.054 11.561 2.351 1.00 0.00 C ATOM 1158 NZ LYS A 80 -15.147 12.283 1.675 1.00 0.00 N ATOM 1159 OXT LYS A 80 -13.684 10.802 -2.621 1.00 0.00 O ATOM 0 H LYS A 80 -13.731 8.978 -3.101 1.00 0.00 H new ATOM 0 HA LYS A 80 -15.935 9.070 -1.214 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -14.523 7.545 0.010 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -13.133 8.586 -0.228 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -15.555 9.848 1.025 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -14.684 8.679 1.999 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -12.676 9.948 1.978 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -13.135 10.840 0.541 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -14.413 11.156 3.297 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -13.247 12.255 2.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -15.024 13.307 1.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -15.130 12.065 0.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -16.059 11.987 2.077 1.00 0.00 H new TER 1173 LYS A 80