USER MOD reduce.3.24.130724 H: found=0, std=0, add=579, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 575 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 39 HIS : no HE2:sc= 0.296 K(o=0.13,f=-4.6!) USER MOD Set 1.2: A 63 HIS : no HE2:sc= -0.167 K(o=0.13,f=-2.6!) USER MOD Set 2.1: A 15 HIS : no HD1:sc= 0.162 K(o=1.4,f=-7.6!) USER MOD Set 2.2: A 20 SER OG : rot -143:sc= 1.2 USER MOD Single : A 5 LYS NZ :NH3+ -167:sc= 0.462 (180deg=0.175) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0.0163 USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=-0.031) USER MOD Single : A 14 LYS NZ :NH3+ 167:sc= 1.18 (180deg=0.994) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 90:sc= -0.0334 USER MOD Single : A 26 HIS : no HE2:sc= -1.32 K(o=-1.3,f=-6.2!) USER MOD Single : A 27 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 28 LYS NZ :NH3+ -126:sc= 1.26 (180deg=0.818) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 137:sc= 1.6 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.133 X(o=-0.13,f=-0.37) USER MOD Single : A 55 THR OG1 : rot 92:sc= -0.123 USER MOD Single : A 57 ASN : amide:sc= 0 K(o=0,f=-0.85) USER MOD Single : A 64 SER OG : rot 180:sc= 0.0818 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 65:sc= 1.07 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot -129:sc= 1.41 USER MOD Single : A 80 HIS : no HD1:sc= -1.17 X(o=-1.2,f=-1.1) USER MOD ----------------------------------------------------------------- ATOM 65 N LYS A 5 0.561 -8.334 -11.710 1.00 0.00 N ATOM 66 CA LYS A 5 1.510 -8.907 -10.765 1.00 0.00 C ATOM 67 C LYS A 5 0.814 -9.393 -9.496 1.00 0.00 C ATOM 68 O LYS A 5 1.412 -9.380 -8.431 1.00 0.00 O ATOM 69 CB LYS A 5 2.731 -8.014 -10.515 1.00 0.00 C ATOM 70 CG LYS A 5 4.042 -8.783 -10.313 1.00 0.00 C ATOM 71 CD LYS A 5 5.038 -8.553 -11.458 1.00 0.00 C ATOM 72 CE LYS A 5 5.865 -7.268 -11.261 1.00 0.00 C ATOM 73 NZ LYS A 5 5.086 -6.022 -11.451 1.00 0.00 N ATOM 0 HA LYS A 5 1.931 -9.797 -11.233 1.00 0.00 H new ATOM 0 HB2 LYS A 5 2.848 -7.334 -11.359 1.00 0.00 H new ATOM 0 HB3 LYS A 5 2.544 -7.400 -9.634 1.00 0.00 H new ATOM 0 HG2 LYS A 5 4.498 -8.477 -9.371 1.00 0.00 H new ATOM 0 HG3 LYS A 5 3.826 -9.848 -10.231 1.00 0.00 H new ATOM 0 HD2 LYS A 5 5.710 -9.408 -11.530 1.00 0.00 H new ATOM 0 HD3 LYS A 5 4.496 -8.493 -12.402 1.00 0.00 H new ATOM 0 HE2 LYS A 5 6.290 -7.271 -10.257 1.00 0.00 H new ATOM 0 HE3 LYS A 5 6.701 -7.274 -11.961 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 5.736 -5.214 -11.523 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 4.525 -6.093 -12.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 4.450 -5.883 -10.640 1.00 0.00 H new ATOM 87 N TYR A 6 -0.443 -9.820 -9.642 1.00 0.00 N ATOM 88 CA TYR A 6 -1.323 -10.300 -8.589 1.00 0.00 C ATOM 89 C TYR A 6 -0.571 -10.943 -7.404 1.00 0.00 C ATOM 90 O TYR A 6 0.090 -11.960 -7.608 1.00 0.00 O ATOM 91 CB TYR A 6 -2.317 -11.295 -9.202 1.00 0.00 C ATOM 92 CG TYR A 6 -3.267 -10.724 -10.238 1.00 0.00 C ATOM 93 CD1 TYR A 6 -4.516 -10.211 -9.838 1.00 0.00 C ATOM 94 CD2 TYR A 6 -2.958 -10.806 -11.609 1.00 0.00 C ATOM 95 CE1 TYR A 6 -5.453 -9.799 -10.799 1.00 0.00 C ATOM 96 CE2 TYR A 6 -3.884 -10.364 -12.570 1.00 0.00 C ATOM 97 CZ TYR A 6 -5.119 -9.832 -12.164 1.00 0.00 C ATOM 98 OH TYR A 6 -6.018 -9.411 -13.099 1.00 0.00 O ATOM 0 H TYR A 6 -0.895 -9.838 -10.556 1.00 0.00 H new ATOM 0 HA TYR A 6 -1.844 -9.439 -8.171 1.00 0.00 H new ATOM 0 HB2 TYR A 6 -1.753 -12.107 -9.662 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -2.907 -11.733 -8.397 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -4.754 -10.134 -8.787 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -2.007 -11.210 -11.923 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -6.430 -9.457 -10.490 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -3.646 -10.434 -13.621 1.00 0.00 H new ATOM 0 HH TYR A 6 -5.626 -9.500 -13.993 1.00 0.00 H new ATOM 108 N TYR A 7 -0.673 -10.381 -6.190 1.00 0.00 N ATOM 109 CA TYR A 7 0.029 -10.867 -5.000 1.00 0.00 C ATOM 110 C TYR A 7 -0.952 -11.354 -3.933 1.00 0.00 C ATOM 111 O TYR A 7 -2.012 -10.758 -3.729 1.00 0.00 O ATOM 112 CB TYR A 7 0.924 -9.764 -4.421 1.00 0.00 C ATOM 113 CG TYR A 7 2.067 -9.291 -5.300 1.00 0.00 C ATOM 114 CD1 TYR A 7 2.871 -10.217 -5.994 1.00 0.00 C ATOM 115 CD2 TYR A 7 2.459 -7.942 -5.249 1.00 0.00 C ATOM 116 CE1 TYR A 7 4.058 -9.798 -6.618 1.00 0.00 C ATOM 117 CE2 TYR A 7 3.622 -7.514 -5.911 1.00 0.00 C ATOM 118 CZ TYR A 7 4.445 -8.452 -6.549 1.00 0.00 C ATOM 119 OH TYR A 7 5.646 -8.062 -7.064 1.00 0.00 O ATOM 0 H TYR A 7 -1.255 -9.564 -6.008 1.00 0.00 H new ATOM 0 HA TYR A 7 0.648 -11.711 -5.303 1.00 0.00 H new ATOM 0 HB2 TYR A 7 0.297 -8.904 -4.184 1.00 0.00 H new ATOM 0 HB3 TYR A 7 1.342 -10.122 -3.480 1.00 0.00 H new ATOM 0 HD1 TYR A 7 2.573 -11.254 -6.046 1.00 0.00 H new ATOM 0 HD2 TYR A 7 1.863 -7.230 -4.698 1.00 0.00 H new ATOM 0 HE1 TYR A 7 4.671 -10.511 -7.150 1.00 0.00 H new ATOM 0 HE2 TYR A 7 3.881 -6.466 -5.928 1.00 0.00 H new ATOM 0 HH TYR A 7 5.759 -7.097 -6.935 1.00 0.00 H new ATOM 129 N THR A 8 -0.613 -12.462 -3.264 1.00 0.00 N ATOM 130 CA THR A 8 -1.451 -13.109 -2.269 1.00 0.00 C ATOM 131 C THR A 8 -1.264 -12.452 -0.900 1.00 0.00 C ATOM 132 O THR A 8 -0.249 -11.805 -0.638 1.00 0.00 O ATOM 133 CB THR A 8 -1.060 -14.594 -2.195 1.00 0.00 C ATOM 134 OG1 THR A 8 0.341 -14.683 -2.033 1.00 0.00 O ATOM 135 CG2 THR A 8 -1.456 -15.357 -3.461 1.00 0.00 C ATOM 0 H THR A 8 0.277 -12.940 -3.409 1.00 0.00 H new ATOM 0 HA THR A 8 -2.499 -13.009 -2.553 1.00 0.00 H new ATOM 0 HB THR A 8 -1.589 -15.041 -1.353 1.00 0.00 H new ATOM 0 HG1 THR A 8 0.605 -15.625 -1.982 1.00 0.00 H new ATOM 0 HG21 THR A 8 -1.160 -16.402 -3.364 1.00 0.00 H new ATOM 0 HG22 THR A 8 -2.536 -15.297 -3.599 1.00 0.00 H new ATOM 0 HG23 THR A 8 -0.955 -14.917 -4.323 1.00 0.00 H new ATOM 143 N LEU A 9 -2.239 -12.655 -0.008 1.00 0.00 N ATOM 144 CA LEU A 9 -2.240 -12.078 1.323 1.00 0.00 C ATOM 145 C LEU A 9 -0.953 -12.447 2.048 1.00 0.00 C ATOM 146 O LEU A 9 -0.256 -11.560 2.526 1.00 0.00 O ATOM 147 CB LEU A 9 -3.464 -12.549 2.120 1.00 0.00 C ATOM 148 CG LEU A 9 -4.815 -11.935 1.715 1.00 0.00 C ATOM 149 CD1 LEU A 9 -4.835 -10.406 1.852 1.00 0.00 C ATOM 150 CD2 LEU A 9 -5.266 -12.352 0.315 1.00 0.00 C ATOM 0 H LEU A 9 -3.056 -13.234 -0.201 1.00 0.00 H new ATOM 0 HA LEU A 9 -2.295 -10.993 1.234 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -3.538 -13.632 2.026 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -3.291 -12.332 3.174 1.00 0.00 H new ATOM 0 HG LEU A 9 -5.534 -12.344 2.425 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -5.812 -10.027 1.553 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -4.641 -10.131 2.889 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -4.066 -9.973 1.212 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -6.225 -11.886 0.088 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -4.525 -12.031 -0.417 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -5.370 -13.436 0.274 1.00 0.00 H new ATOM 162 N GLU A 10 -0.618 -13.741 2.107 1.00 0.00 N ATOM 163 CA GLU A 10 0.603 -14.188 2.756 1.00 0.00 C ATOM 164 C GLU A 10 1.817 -13.436 2.200 1.00 0.00 C ATOM 165 O GLU A 10 2.670 -13.007 2.973 1.00 0.00 O ATOM 166 CB GLU A 10 0.765 -15.710 2.624 1.00 0.00 C ATOM 167 CG GLU A 10 1.908 -16.181 3.532 1.00 0.00 C ATOM 168 CD GLU A 10 2.260 -17.644 3.329 1.00 0.00 C ATOM 169 OE1 GLU A 10 1.408 -18.493 3.653 1.00 0.00 O ATOM 170 OE2 GLU A 10 3.397 -17.874 2.854 1.00 0.00 O ATOM 0 H GLU A 10 -1.182 -14.492 1.710 1.00 0.00 H new ATOM 0 HA GLU A 10 0.535 -13.959 3.820 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -0.163 -16.211 2.899 1.00 0.00 H new ATOM 0 HB3 GLU A 10 0.975 -15.976 1.588 1.00 0.00 H new ATOM 0 HG2 GLU A 10 2.791 -15.571 3.342 1.00 0.00 H new ATOM 0 HG3 GLU A 10 1.628 -16.021 4.573 1.00 0.00 H new ATOM 177 N GLU A 11 1.903 -13.273 0.874 1.00 0.00 N ATOM 178 CA GLU A 11 3.028 -12.578 0.269 1.00 0.00 C ATOM 179 C GLU A 11 3.066 -11.134 0.769 1.00 0.00 C ATOM 180 O GLU A 11 4.068 -10.682 1.310 1.00 0.00 O ATOM 181 CB GLU A 11 2.959 -12.635 -1.261 1.00 0.00 C ATOM 182 CG GLU A 11 4.353 -12.386 -1.847 1.00 0.00 C ATOM 183 CD GLU A 11 4.271 -11.927 -3.290 1.00 0.00 C ATOM 184 OE1 GLU A 11 4.239 -12.809 -4.174 1.00 0.00 O ATOM 185 OE2 GLU A 11 4.227 -10.694 -3.473 1.00 0.00 O ATOM 0 H GLU A 11 1.208 -13.613 0.210 1.00 0.00 H new ATOM 0 HA GLU A 11 3.950 -13.077 0.566 1.00 0.00 H new ATOM 0 HB2 GLU A 11 2.587 -13.608 -1.583 1.00 0.00 H new ATOM 0 HB3 GLU A 11 2.258 -11.887 -1.632 1.00 0.00 H new ATOM 0 HG2 GLU A 11 4.870 -11.633 -1.253 1.00 0.00 H new ATOM 0 HG3 GLU A 11 4.943 -13.300 -1.787 1.00 0.00 H new ATOM 192 N ILE A 12 1.961 -10.406 0.628 1.00 0.00 N ATOM 193 CA ILE A 12 1.898 -9.007 1.029 1.00 0.00 C ATOM 194 C ILE A 12 2.254 -8.873 2.520 1.00 0.00 C ATOM 195 O ILE A 12 3.049 -8.020 2.917 1.00 0.00 O ATOM 196 CB ILE A 12 0.513 -8.451 0.673 1.00 0.00 C ATOM 197 CG1 ILE A 12 0.265 -8.570 -0.845 1.00 0.00 C ATOM 198 CG2 ILE A 12 0.383 -6.985 1.110 1.00 0.00 C ATOM 199 CD1 ILE A 12 -1.229 -8.694 -1.148 1.00 0.00 C ATOM 0 H ILE A 12 1.092 -10.767 0.236 1.00 0.00 H new ATOM 0 HA ILE A 12 2.633 -8.409 0.489 1.00 0.00 H new ATOM 0 HB ILE A 12 -0.236 -9.038 1.205 1.00 0.00 H new ATOM 0 HG12 ILE A 12 0.671 -7.696 -1.353 1.00 0.00 H new ATOM 0 HG13 ILE A 12 0.793 -9.440 -1.236 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -0.607 -6.613 0.847 1.00 0.00 H new ATOM 0 HG22 ILE A 12 0.523 -6.913 2.189 1.00 0.00 H new ATOM 0 HG23 ILE A 12 1.141 -6.386 0.605 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -1.376 -8.776 -2.225 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -1.627 -9.583 -0.658 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -1.750 -7.811 -0.777 1.00 0.00 H new ATOM 211 N GLN A 13 1.720 -9.780 3.336 1.00 0.00 N ATOM 212 CA GLN A 13 1.927 -9.856 4.776 1.00 0.00 C ATOM 213 C GLN A 13 3.319 -10.405 5.142 1.00 0.00 C ATOM 214 O GLN A 13 3.593 -10.623 6.320 1.00 0.00 O ATOM 215 CB GLN A 13 0.775 -10.698 5.356 1.00 0.00 C ATOM 216 CG GLN A 13 0.406 -10.361 6.805 1.00 0.00 C ATOM 217 CD GLN A 13 -0.938 -10.989 7.175 1.00 0.00 C ATOM 218 OE1 GLN A 13 -1.962 -10.682 6.573 1.00 0.00 O ATOM 219 NE2 GLN A 13 -0.966 -11.880 8.163 1.00 0.00 N ATOM 0 H GLN A 13 1.102 -10.515 2.992 1.00 0.00 H new ATOM 0 HA GLN A 13 1.911 -8.858 5.215 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -0.107 -10.564 4.730 1.00 0.00 H new ATOM 0 HB3 GLN A 13 1.048 -11.752 5.300 1.00 0.00 H new ATOM 0 HG2 GLN A 13 1.182 -10.725 7.478 1.00 0.00 H new ATOM 0 HG3 GLN A 13 0.356 -9.280 6.932 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -0.106 -12.125 8.654 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -1.848 -12.318 8.430 1.00 0.00 H new ATOM 228 N LYS A 14 4.201 -10.618 4.154 1.00 0.00 N ATOM 229 CA LYS A 14 5.601 -10.994 4.327 1.00 0.00 C ATOM 230 C LYS A 14 6.512 -9.766 4.169 1.00 0.00 C ATOM 231 O LYS A 14 7.710 -9.880 4.410 1.00 0.00 O ATOM 232 CB LYS A 14 5.959 -12.085 3.295 1.00 0.00 C ATOM 233 CG LYS A 14 6.280 -13.471 3.867 1.00 0.00 C ATOM 234 CD LYS A 14 5.856 -14.512 2.816 1.00 0.00 C ATOM 235 CE LYS A 14 6.427 -15.909 3.081 1.00 0.00 C ATOM 236 NZ LYS A 14 5.748 -16.938 2.264 1.00 0.00 N ATOM 0 H LYS A 14 3.941 -10.527 3.172 1.00 0.00 H new ATOM 0 HA LYS A 14 5.753 -11.389 5.332 1.00 0.00 H new ATOM 0 HB2 LYS A 14 5.127 -12.185 2.598 1.00 0.00 H new ATOM 0 HB3 LYS A 14 6.819 -11.744 2.718 1.00 0.00 H new ATOM 0 HG2 LYS A 14 7.344 -13.559 4.086 1.00 0.00 H new ATOM 0 HG3 LYS A 14 5.747 -13.632 4.804 1.00 0.00 H new ATOM 0 HD2 LYS A 14 4.768 -14.571 2.791 1.00 0.00 H new ATOM 0 HD3 LYS A 14 6.179 -14.176 1.831 1.00 0.00 H new ATOM 0 HE2 LYS A 14 7.494 -15.914 2.860 1.00 0.00 H new ATOM 0 HE3 LYS A 14 6.319 -16.153 4.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 6.293 -17.823 2.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 4.793 -17.105 2.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 5.680 -16.610 1.279 1.00 0.00 H new ATOM 250 N HIS A 15 5.971 -8.612 3.752 1.00 0.00 N ATOM 251 CA HIS A 15 6.694 -7.344 3.741 1.00 0.00 C ATOM 252 C HIS A 15 6.439 -6.615 5.070 1.00 0.00 C ATOM 253 O HIS A 15 5.917 -7.216 6.007 1.00 0.00 O ATOM 254 CB HIS A 15 6.251 -6.542 2.508 1.00 0.00 C ATOM 255 CG HIS A 15 6.591 -7.248 1.219 1.00 0.00 C ATOM 256 ND1 HIS A 15 7.763 -7.143 0.509 1.00 0.00 N ATOM 257 CD2 HIS A 15 5.833 -8.204 0.607 1.00 0.00 C ATOM 258 CE1 HIS A 15 7.711 -8.027 -0.500 1.00 0.00 C ATOM 259 NE2 HIS A 15 6.557 -8.706 -0.476 1.00 0.00 N ATOM 0 H HIS A 15 5.012 -8.538 3.412 1.00 0.00 H new ATOM 0 HA HIS A 15 7.771 -7.489 3.662 1.00 0.00 H new ATOM 0 HB2 HIS A 15 5.175 -6.371 2.554 1.00 0.00 H new ATOM 0 HB3 HIS A 15 6.730 -5.563 2.522 1.00 0.00 H new ATOM 0 HD2 HIS A 15 4.844 -8.518 0.908 1.00 0.00 H new ATOM 0 HE1 HIS A 15 8.493 -8.171 -1.231 1.00 0.00 H new ATOM 0 HE2 HIS A 15 6.266 -9.442 -1.119 1.00 0.00 H new ATOM 267 N LYS A 16 6.782 -5.322 5.146 1.00 0.00 N ATOM 268 CA LYS A 16 6.674 -4.478 6.331 1.00 0.00 C ATOM 269 C LYS A 16 7.742 -4.827 7.372 1.00 0.00 C ATOM 270 O LYS A 16 7.445 -4.985 8.555 1.00 0.00 O ATOM 271 CB LYS A 16 5.254 -4.474 6.905 1.00 0.00 C ATOM 272 CG LYS A 16 5.077 -3.382 7.968 1.00 0.00 C ATOM 273 CD LYS A 16 4.463 -3.950 9.257 1.00 0.00 C ATOM 274 CE LYS A 16 3.866 -2.806 10.088 1.00 0.00 C ATOM 275 NZ LYS A 16 4.176 -2.879 11.527 1.00 0.00 N ATOM 0 H LYS A 16 7.159 -4.818 4.343 1.00 0.00 H new ATOM 0 HA LYS A 16 6.873 -3.452 6.022 1.00 0.00 H new ATOM 0 HB2 LYS A 16 4.536 -4.318 6.100 1.00 0.00 H new ATOM 0 HB3 LYS A 16 5.035 -5.448 7.343 1.00 0.00 H new ATOM 0 HG2 LYS A 16 6.043 -2.930 8.192 1.00 0.00 H new ATOM 0 HG3 LYS A 16 4.438 -2.591 7.576 1.00 0.00 H new ATOM 0 HD2 LYS A 16 3.690 -4.679 9.014 1.00 0.00 H new ATOM 0 HD3 LYS A 16 5.224 -4.474 9.835 1.00 0.00 H new ATOM 0 HE2 LYS A 16 4.233 -1.857 9.696 1.00 0.00 H new ATOM 0 HE3 LYS A 16 2.783 -2.806 9.961 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 3.738 -2.073 12.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 3.802 -3.767 11.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 5.207 -2.848 11.662 1.00 0.00 H new ATOM 334 N SER A 20 10.999 -2.715 2.991 1.00 0.00 N ATOM 335 CA SER A 20 9.932 -3.138 2.097 1.00 0.00 C ATOM 336 C SER A 20 8.598 -2.728 2.716 1.00 0.00 C ATOM 337 O SER A 20 8.079 -3.432 3.581 1.00 0.00 O ATOM 338 CB SER A 20 10.011 -4.648 1.821 1.00 0.00 C ATOM 339 OG SER A 20 9.380 -4.922 0.587 1.00 0.00 O ATOM 0 HA SER A 20 10.035 -2.650 1.128 1.00 0.00 H new ATOM 0 HB2 SER A 20 11.051 -4.972 1.792 1.00 0.00 H new ATOM 0 HB3 SER A 20 9.526 -5.204 2.624 1.00 0.00 H new ATOM 0 HG SER A 20 8.906 -5.778 0.645 1.00 0.00 H new ATOM 345 N THR A 21 8.078 -1.562 2.332 1.00 0.00 N ATOM 346 CA THR A 21 6.834 -1.017 2.823 1.00 0.00 C ATOM 347 C THR A 21 5.795 -1.204 1.729 1.00 0.00 C ATOM 348 O THR A 21 5.718 -0.401 0.800 1.00 0.00 O ATOM 349 CB THR A 21 7.066 0.461 3.117 1.00 0.00 C ATOM 350 OG1 THR A 21 8.018 0.569 4.155 1.00 0.00 O ATOM 351 CG2 THR A 21 5.776 1.162 3.520 1.00 0.00 C ATOM 0 H THR A 21 8.534 -0.959 1.648 1.00 0.00 H new ATOM 0 HA THR A 21 6.488 -1.509 3.732 1.00 0.00 H new ATOM 0 HB THR A 21 7.431 0.946 2.212 1.00 0.00 H new ATOM 0 HG1 THR A 21 8.918 0.610 3.770 1.00 0.00 H new ATOM 0 HG21 THR A 21 5.981 2.213 3.722 1.00 0.00 H new ATOM 0 HG22 THR A 21 5.050 1.082 2.710 1.00 0.00 H new ATOM 0 HG23 THR A 21 5.372 0.693 4.417 1.00 0.00 H new ATOM 359 N TRP A 22 4.992 -2.255 1.848 1.00 0.00 N ATOM 360 CA TRP A 22 3.856 -2.483 0.976 1.00 0.00 C ATOM 361 C TRP A 22 2.586 -2.145 1.732 1.00 0.00 C ATOM 362 O TRP A 22 2.558 -2.233 2.955 1.00 0.00 O ATOM 363 CB TRP A 22 3.834 -3.937 0.543 1.00 0.00 C ATOM 364 CG TRP A 22 4.906 -4.355 -0.411 1.00 0.00 C ATOM 365 CD1 TRP A 22 6.037 -3.688 -0.733 1.00 0.00 C ATOM 366 CD2 TRP A 22 4.883 -5.520 -1.270 1.00 0.00 C ATOM 367 NE1 TRP A 22 6.696 -4.348 -1.742 1.00 0.00 N ATOM 368 CE2 TRP A 22 6.040 -5.511 -2.102 1.00 0.00 C ATOM 369 CE3 TRP A 22 3.942 -6.542 -1.464 1.00 0.00 C ATOM 370 CZ2 TRP A 22 6.263 -6.504 -3.067 1.00 0.00 C ATOM 371 CZ3 TRP A 22 4.169 -7.563 -2.403 1.00 0.00 C ATOM 372 CH2 TRP A 22 5.335 -7.554 -3.189 1.00 0.00 C ATOM 0 H TRP A 22 5.116 -2.976 2.559 1.00 0.00 H new ATOM 0 HA TRP A 22 3.931 -1.854 0.089 1.00 0.00 H new ATOM 0 HB2 TRP A 22 3.905 -4.561 1.434 1.00 0.00 H new ATOM 0 HB3 TRP A 22 2.867 -4.144 0.085 1.00 0.00 H new ATOM 0 HD1 TRP A 22 6.372 -2.773 -0.267 1.00 0.00 H new ATOM 0 HE1 TRP A 22 7.561 -4.021 -2.172 1.00 0.00 H new ATOM 0 HE3 TRP A 22 3.031 -6.544 -0.884 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 7.133 -6.463 -3.706 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 3.446 -8.357 -2.521 1.00 0.00 H new ATOM 0 HH2 TRP A 22 5.519 -8.356 -3.889 1.00 0.00 H new ATOM 383 N VAL A 23 1.535 -1.789 1.004 1.00 0.00 N ATOM 384 CA VAL A 23 0.211 -1.530 1.546 1.00 0.00 C ATOM 385 C VAL A 23 -0.813 -1.932 0.493 1.00 0.00 C ATOM 386 O VAL A 23 -0.492 -1.915 -0.696 1.00 0.00 O ATOM 387 CB VAL A 23 0.017 -0.038 1.857 1.00 0.00 C ATOM 388 CG1 VAL A 23 0.494 0.376 3.246 1.00 0.00 C ATOM 389 CG2 VAL A 23 0.692 0.870 0.826 1.00 0.00 C ATOM 0 H VAL A 23 1.584 -1.670 -0.008 1.00 0.00 H new ATOM 0 HA VAL A 23 0.091 -2.097 2.469 1.00 0.00 H new ATOM 0 HB VAL A 23 -1.064 0.093 1.815 1.00 0.00 H new ATOM 0 HG11 VAL A 23 0.322 1.443 3.387 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -0.058 -0.183 4.002 1.00 0.00 H new ATOM 0 HG13 VAL A 23 1.559 0.164 3.343 1.00 0.00 H new ATOM 0 HG21 VAL A 23 0.523 1.913 1.094 1.00 0.00 H new ATOM 0 HG22 VAL A 23 1.763 0.668 0.809 1.00 0.00 H new ATOM 0 HG23 VAL A 23 0.271 0.676 -0.161 1.00 0.00 H new ATOM 399 N ILE A 24 -2.039 -2.256 0.923 1.00 0.00 N ATOM 400 CA ILE A 24 -3.139 -2.574 0.035 1.00 0.00 C ATOM 401 C ILE A 24 -4.359 -1.722 0.372 1.00 0.00 C ATOM 402 O ILE A 24 -4.710 -1.598 1.548 1.00 0.00 O ATOM 403 CB ILE A 24 -3.400 -4.079 0.035 1.00 0.00 C ATOM 404 CG1 ILE A 24 -4.076 -4.607 1.296 1.00 0.00 C ATOM 405 CG2 ILE A 24 -2.073 -4.813 -0.107 1.00 0.00 C ATOM 406 CD1 ILE A 24 -5.590 -4.744 1.126 1.00 0.00 C ATOM 0 H ILE A 24 -2.287 -2.302 1.911 1.00 0.00 H new ATOM 0 HA ILE A 24 -2.879 -2.318 -0.992 1.00 0.00 H new ATOM 0 HB ILE A 24 -4.080 -4.257 -0.798 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -3.652 -5.577 1.554 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -3.865 -3.935 2.128 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -2.250 -5.888 -0.108 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -1.595 -4.523 -1.043 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -1.422 -4.553 0.728 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -6.027 -5.123 2.050 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -6.020 -3.769 0.895 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -5.804 -5.437 0.312 1.00 0.00 H new ATOM 418 N LEU A 25 -4.943 -1.082 -0.650 1.00 0.00 N ATOM 419 CA LEU A 25 -6.065 -0.160 -0.515 1.00 0.00 C ATOM 420 C LEU A 25 -7.057 -0.466 -1.639 1.00 0.00 C ATOM 421 O LEU A 25 -6.720 -0.278 -2.805 1.00 0.00 O ATOM 422 CB LEU A 25 -5.626 1.321 -0.567 1.00 0.00 C ATOM 423 CG LEU A 25 -4.156 1.604 -0.217 1.00 0.00 C ATOM 424 CD1 LEU A 25 -3.831 3.075 -0.435 1.00 0.00 C ATOM 425 CD2 LEU A 25 -3.799 1.302 1.234 1.00 0.00 C ATOM 0 H LEU A 25 -4.636 -1.198 -1.616 1.00 0.00 H new ATOM 0 HA LEU A 25 -6.525 -0.303 0.463 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -5.819 1.701 -1.570 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -6.257 1.890 0.116 1.00 0.00 H new ATOM 0 HG LEU A 25 -3.584 0.946 -0.871 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -2.787 3.258 -0.183 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -4.003 3.335 -1.480 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -4.471 3.687 0.201 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -2.746 1.527 1.404 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -4.412 1.915 1.895 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -3.983 0.248 1.442 1.00 0.00 H new ATOM 437 N HIS A 26 -8.256 -0.953 -1.304 1.00 0.00 N ATOM 438 CA HIS A 26 -9.323 -1.255 -2.264 1.00 0.00 C ATOM 439 C HIS A 26 -8.832 -2.053 -3.481 1.00 0.00 C ATOM 440 O HIS A 26 -8.866 -1.573 -4.616 1.00 0.00 O ATOM 441 CB HIS A 26 -10.040 0.029 -2.701 1.00 0.00 C ATOM 442 CG HIS A 26 -10.778 0.711 -1.585 1.00 0.00 C ATOM 443 ND1 HIS A 26 -12.008 0.341 -1.085 1.00 0.00 N ATOM 444 CD2 HIS A 26 -10.352 1.808 -0.887 1.00 0.00 C ATOM 445 CE1 HIS A 26 -12.314 1.197 -0.097 1.00 0.00 C ATOM 446 NE2 HIS A 26 -11.334 2.096 0.057 1.00 0.00 N ATOM 0 H HIS A 26 -8.517 -1.152 -0.338 1.00 0.00 H new ATOM 0 HA HIS A 26 -10.035 -1.897 -1.745 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -9.308 0.721 -3.118 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -10.743 -0.210 -3.499 1.00 0.00 H new ATOM 0 HD1 HIS A 26 -12.580 -0.440 -1.406 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -9.429 2.348 -1.039 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -13.220 1.165 0.489 1.00 0.00 H new ATOM 454 N HIS A 27 -8.426 -3.305 -3.247 1.00 0.00 N ATOM 455 CA HIS A 27 -8.029 -4.235 -4.300 1.00 0.00 C ATOM 456 C HIS A 27 -6.949 -3.639 -5.197 1.00 0.00 C ATOM 457 O HIS A 27 -7.102 -3.578 -6.418 1.00 0.00 O ATOM 458 CB HIS A 27 -9.246 -4.677 -5.123 1.00 0.00 C ATOM 459 CG HIS A 27 -10.172 -5.568 -4.354 1.00 0.00 C ATOM 460 ND1 HIS A 27 -9.958 -6.903 -4.112 1.00 0.00 N ATOM 461 CD2 HIS A 27 -11.403 -5.237 -3.859 1.00 0.00 C ATOM 462 CE1 HIS A 27 -11.051 -7.371 -3.495 1.00 0.00 C ATOM 463 NE2 HIS A 27 -11.961 -6.398 -3.322 1.00 0.00 N ATOM 0 H HIS A 27 -8.364 -3.702 -2.309 1.00 0.00 H new ATOM 0 HA HIS A 27 -7.604 -5.116 -3.820 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -9.792 -3.795 -5.458 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -8.905 -5.199 -6.017 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -11.859 -4.258 -3.880 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -11.183 -8.395 -3.178 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -12.878 -6.490 -2.885 1.00 0.00 H new ATOM 471 N LYS A 28 -5.851 -3.209 -4.583 1.00 0.00 N ATOM 472 CA LYS A 28 -4.710 -2.622 -5.252 1.00 0.00 C ATOM 473 C LYS A 28 -3.584 -2.580 -4.225 1.00 0.00 C ATOM 474 O LYS A 28 -3.803 -2.092 -3.117 1.00 0.00 O ATOM 475 CB LYS A 28 -5.051 -1.208 -5.736 1.00 0.00 C ATOM 476 CG LYS A 28 -5.486 -1.124 -7.203 1.00 0.00 C ATOM 477 CD LYS A 28 -6.771 -0.306 -7.408 1.00 0.00 C ATOM 478 CE LYS A 28 -7.530 -0.837 -8.630 1.00 0.00 C ATOM 479 NZ LYS A 28 -8.243 -2.090 -8.302 1.00 0.00 N ATOM 0 H LYS A 28 -5.734 -3.265 -3.571 1.00 0.00 H new ATOM 0 HA LYS A 28 -4.419 -3.203 -6.127 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -5.848 -0.806 -5.111 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -4.180 -0.569 -5.592 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -4.682 -0.678 -7.789 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -5.640 -2.132 -7.588 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -7.400 -0.370 -6.520 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -6.525 0.747 -7.549 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -8.242 -0.088 -8.975 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -6.832 -1.014 -9.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -7.972 -2.831 -8.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -7.991 -2.391 -7.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -9.269 -1.930 -8.357 1.00 0.00 H new ATOM 493 N VAL A 29 -2.420 -3.124 -4.592 1.00 0.00 N ATOM 494 CA VAL A 29 -1.240 -3.216 -3.749 1.00 0.00 C ATOM 495 C VAL A 29 -0.211 -2.228 -4.273 1.00 0.00 C ATOM 496 O VAL A 29 0.097 -2.233 -5.469 1.00 0.00 O ATOM 497 CB VAL A 29 -0.663 -4.637 -3.797 1.00 0.00 C ATOM 498 CG1 VAL A 29 0.544 -4.833 -2.865 1.00 0.00 C ATOM 499 CG2 VAL A 29 -1.748 -5.673 -3.487 1.00 0.00 C ATOM 0 H VAL A 29 -2.276 -3.525 -5.519 1.00 0.00 H new ATOM 0 HA VAL A 29 -1.500 -2.986 -2.716 1.00 0.00 H new ATOM 0 HB VAL A 29 -0.301 -4.785 -4.814 1.00 0.00 H new ATOM 0 HG11 VAL A 29 0.904 -5.859 -2.947 1.00 0.00 H new ATOM 0 HG12 VAL A 29 1.340 -4.145 -3.151 1.00 0.00 H new ATOM 0 HG13 VAL A 29 0.245 -4.634 -1.836 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -1.318 -6.674 -3.526 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -2.151 -5.490 -2.491 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -2.548 -5.593 -4.223 1.00 0.00 H new ATOM 509 N TYR A 30 0.317 -1.405 -3.370 1.00 0.00 N ATOM 510 CA TYR A 30 1.266 -0.358 -3.681 1.00 0.00 C ATOM 511 C TYR A 30 2.539 -0.589 -2.872 1.00 0.00 C ATOM 512 O TYR A 30 2.449 -0.850 -1.669 1.00 0.00 O ATOM 513 CB TYR A 30 0.616 0.993 -3.368 1.00 0.00 C ATOM 514 CG TYR A 30 -0.764 1.153 -3.976 1.00 0.00 C ATOM 515 CD1 TYR A 30 -0.920 1.140 -5.369 1.00 0.00 C ATOM 516 CD2 TYR A 30 -1.898 1.260 -3.156 1.00 0.00 C ATOM 517 CE1 TYR A 30 -2.187 1.332 -5.946 1.00 0.00 C ATOM 518 CE2 TYR A 30 -3.163 1.492 -3.728 1.00 0.00 C ATOM 519 CZ TYR A 30 -3.297 1.572 -5.122 1.00 0.00 C ATOM 520 OH TYR A 30 -4.477 1.961 -5.682 1.00 0.00 O ATOM 0 H TYR A 30 0.086 -1.456 -2.378 1.00 0.00 H new ATOM 0 HA TYR A 30 1.539 -0.366 -4.736 1.00 0.00 H new ATOM 0 HB2 TYR A 30 0.544 1.112 -2.287 1.00 0.00 H new ATOM 0 HB3 TYR A 30 1.261 1.792 -3.734 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -0.060 0.981 -6.003 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -1.800 1.164 -2.085 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -2.306 1.295 -7.019 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -4.030 1.608 -3.094 1.00 0.00 H new ATOM 0 HH TYR A 30 -5.148 2.086 -4.978 1.00 0.00 H new ATOM 530 N ASP A 31 3.705 -0.503 -3.525 1.00 0.00 N ATOM 531 CA ASP A 31 4.989 -0.455 -2.831 1.00 0.00 C ATOM 532 C ASP A 31 5.302 1.013 -2.597 1.00 0.00 C ATOM 533 O ASP A 31 5.392 1.782 -3.553 1.00 0.00 O ATOM 534 CB ASP A 31 6.128 -1.106 -3.626 1.00 0.00 C ATOM 535 CG ASP A 31 7.454 -0.971 -2.889 1.00 0.00 C ATOM 536 OD1 ASP A 31 7.949 0.170 -2.790 1.00 0.00 O ATOM 537 OD2 ASP A 31 7.956 -1.988 -2.360 1.00 0.00 O ATOM 0 H ASP A 31 3.780 -0.465 -4.542 1.00 0.00 H new ATOM 0 HA ASP A 31 4.912 -1.019 -1.901 1.00 0.00 H new ATOM 0 HB2 ASP A 31 5.905 -2.160 -3.791 1.00 0.00 H new ATOM 0 HB3 ASP A 31 6.204 -0.639 -4.608 1.00 0.00 H new ATOM 542 N LEU A 32 5.447 1.394 -1.332 1.00 0.00 N ATOM 543 CA LEU A 32 5.836 2.734 -0.944 1.00 0.00 C ATOM 544 C LEU A 32 7.236 2.720 -0.313 1.00 0.00 C ATOM 545 O LEU A 32 7.602 3.652 0.403 1.00 0.00 O ATOM 546 CB LEU A 32 4.785 3.297 0.020 1.00 0.00 C ATOM 547 CG LEU A 32 3.338 3.364 -0.520 1.00 0.00 C ATOM 548 CD1 LEU A 32 2.515 4.280 0.394 1.00 0.00 C ATOM 549 CD2 LEU A 32 3.165 3.832 -1.974 1.00 0.00 C ATOM 0 H LEU A 32 5.294 0.768 -0.541 1.00 0.00 H new ATOM 0 HA LEU A 32 5.884 3.379 -1.821 1.00 0.00 H new ATOM 0 HB2 LEU A 32 4.787 2.688 0.924 1.00 0.00 H new ATOM 0 HB3 LEU A 32 5.090 4.302 0.312 1.00 0.00 H new ATOM 0 HG LEU A 32 2.993 2.330 -0.519 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.491 4.337 0.025 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.514 3.877 1.407 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.954 5.277 0.400 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.106 3.835 -2.232 1.00 0.00 H new ATOM 0 HD22 LEU A 32 3.568 4.839 -2.083 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.698 3.154 -2.640 1.00 0.00 H new ATOM 561 N THR A 33 8.051 1.700 -0.594 1.00 0.00 N ATOM 562 CA THR A 33 9.387 1.526 -0.036 1.00 0.00 C ATOM 563 C THR A 33 10.274 2.730 -0.346 1.00 0.00 C ATOM 564 O THR A 33 11.044 3.170 0.504 1.00 0.00 O ATOM 565 CB THR A 33 9.964 0.196 -0.546 1.00 0.00 C ATOM 566 OG1 THR A 33 9.067 -0.839 -0.190 1.00 0.00 O ATOM 567 CG2 THR A 33 11.332 -0.128 0.058 1.00 0.00 C ATOM 0 H THR A 33 7.788 0.952 -1.236 1.00 0.00 H new ATOM 0 HA THR A 33 9.339 1.476 1.052 1.00 0.00 H new ATOM 0 HB THR A 33 10.091 0.282 -1.625 1.00 0.00 H new ATOM 0 HG1 THR A 33 8.966 -1.458 -0.943 1.00 0.00 H new ATOM 0 HG21 THR A 33 11.689 -1.078 -0.339 1.00 0.00 H new ATOM 0 HG22 THR A 33 12.039 0.661 -0.198 1.00 0.00 H new ATOM 0 HG23 THR A 33 11.244 -0.198 1.142 1.00 0.00 H new ATOM 575 N LYS A 34 10.145 3.283 -1.554 1.00 0.00 N ATOM 576 CA LYS A 34 10.852 4.486 -1.980 1.00 0.00 C ATOM 577 C LYS A 34 9.959 5.729 -1.891 1.00 0.00 C ATOM 578 O LYS A 34 10.288 6.751 -2.487 1.00 0.00 O ATOM 579 CB LYS A 34 11.358 4.262 -3.412 1.00 0.00 C ATOM 580 CG LYS A 34 12.583 3.338 -3.439 1.00 0.00 C ATOM 581 CD LYS A 34 13.883 4.159 -3.370 1.00 0.00 C ATOM 582 CE LYS A 34 15.120 3.301 -3.686 1.00 0.00 C ATOM 583 NZ LYS A 34 15.715 3.635 -4.999 1.00 0.00 N ATOM 0 H LYS A 34 9.534 2.898 -2.274 1.00 0.00 H new ATOM 0 HA LYS A 34 11.695 4.669 -1.314 1.00 0.00 H new ATOM 0 HB2 LYS A 34 10.561 3.829 -4.017 1.00 0.00 H new ATOM 0 HB3 LYS A 34 11.615 5.221 -3.862 1.00 0.00 H new ATOM 0 HG2 LYS A 34 12.540 2.644 -2.600 1.00 0.00 H new ATOM 0 HG3 LYS A 34 12.573 2.739 -4.349 1.00 0.00 H new ATOM 0 HD2 LYS A 34 13.827 4.988 -4.075 1.00 0.00 H new ATOM 0 HD3 LYS A 34 13.986 4.593 -2.375 1.00 0.00 H new ATOM 0 HE2 LYS A 34 15.867 3.443 -2.905 1.00 0.00 H new ATOM 0 HE3 LYS A 34 14.841 2.247 -3.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 16.545 3.031 -5.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 15.013 3.475 -5.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 16.006 4.633 -5.004 1.00 0.00 H new ATOM 597 N PHE A 35 8.843 5.659 -1.159 1.00 0.00 N ATOM 598 CA PHE A 35 7.905 6.768 -1.016 1.00 0.00 C ATOM 599 C PHE A 35 7.747 7.180 0.450 1.00 0.00 C ATOM 600 O PHE A 35 7.101 8.178 0.732 1.00 0.00 O ATOM 601 CB PHE A 35 6.571 6.381 -1.657 1.00 0.00 C ATOM 602 CG PHE A 35 5.459 7.412 -1.588 1.00 0.00 C ATOM 603 CD1 PHE A 35 5.621 8.690 -2.153 1.00 0.00 C ATOM 604 CD2 PHE A 35 4.251 7.091 -0.947 1.00 0.00 C ATOM 605 CE1 PHE A 35 4.570 9.622 -2.101 1.00 0.00 C ATOM 606 CE2 PHE A 35 3.184 7.997 -0.937 1.00 0.00 C ATOM 607 CZ PHE A 35 3.349 9.273 -1.496 1.00 0.00 C ATOM 0 H PHE A 35 8.566 4.822 -0.646 1.00 0.00 H new ATOM 0 HA PHE A 35 8.296 7.643 -1.535 1.00 0.00 H new ATOM 0 HB2 PHE A 35 6.753 6.146 -2.706 1.00 0.00 H new ATOM 0 HB3 PHE A 35 6.217 5.466 -1.182 1.00 0.00 H new ATOM 0 HD1 PHE A 35 6.554 8.956 -2.627 1.00 0.00 H new ATOM 0 HD2 PHE A 35 4.144 6.135 -0.457 1.00 0.00 H new ATOM 0 HE1 PHE A 35 4.700 10.606 -2.526 1.00 0.00 H new ATOM 0 HE2 PHE A 35 2.237 7.715 -0.501 1.00 0.00 H new ATOM 0 HZ PHE A 35 2.539 9.987 -1.462 1.00 0.00 H new ATOM 617 N LEU A 36 8.350 6.447 1.388 1.00 0.00 N ATOM 618 CA LEU A 36 8.217 6.695 2.814 1.00 0.00 C ATOM 619 C LEU A 36 8.443 8.171 3.162 1.00 0.00 C ATOM 620 O LEU A 36 7.583 8.806 3.764 1.00 0.00 O ATOM 621 CB LEU A 36 9.202 5.788 3.566 1.00 0.00 C ATOM 622 CG LEU A 36 8.793 4.311 3.665 1.00 0.00 C ATOM 623 CD1 LEU A 36 9.807 3.569 4.546 1.00 0.00 C ATOM 624 CD2 LEU A 36 7.384 4.174 4.253 1.00 0.00 C ATOM 0 H LEU A 36 8.952 5.654 1.169 1.00 0.00 H new ATOM 0 HA LEU A 36 7.197 6.462 3.120 1.00 0.00 H new ATOM 0 HB2 LEU A 36 10.172 5.847 3.073 1.00 0.00 H new ATOM 0 HB3 LEU A 36 9.333 6.180 4.575 1.00 0.00 H new ATOM 0 HG LEU A 36 8.784 3.876 2.666 1.00 0.00 H new ATOM 0 HD11 LEU A 36 9.524 2.519 4.622 1.00 0.00 H new ATOM 0 HD12 LEU A 36 10.800 3.646 4.102 1.00 0.00 H new ATOM 0 HD13 LEU A 36 9.819 4.014 5.541 1.00 0.00 H new ATOM 0 HD21 LEU A 36 7.116 3.119 4.314 1.00 0.00 H new ATOM 0 HD22 LEU A 36 7.362 4.612 5.251 1.00 0.00 H new ATOM 0 HD23 LEU A 36 6.671 4.693 3.613 1.00 0.00 H new ATOM 636 N GLU A 37 9.601 8.716 2.785 1.00 0.00 N ATOM 637 CA GLU A 37 9.939 10.098 3.094 1.00 0.00 C ATOM 638 C GLU A 37 9.196 11.067 2.163 1.00 0.00 C ATOM 639 O GLU A 37 8.716 12.108 2.605 1.00 0.00 O ATOM 640 CB GLU A 37 11.465 10.260 3.055 1.00 0.00 C ATOM 641 CG GLU A 37 11.923 11.560 3.730 1.00 0.00 C ATOM 642 CD GLU A 37 13.422 11.548 4.004 1.00 0.00 C ATOM 643 OE1 GLU A 37 13.858 10.616 4.713 1.00 0.00 O ATOM 644 OE2 GLU A 37 14.105 12.463 3.497 1.00 0.00 O ATOM 0 H GLU A 37 10.320 8.215 2.263 1.00 0.00 H new ATOM 0 HA GLU A 37 9.607 10.352 4.101 1.00 0.00 H new ATOM 0 HB2 GLU A 37 11.933 9.410 3.551 1.00 0.00 H new ATOM 0 HB3 GLU A 37 11.804 10.250 2.019 1.00 0.00 H new ATOM 0 HG2 GLU A 37 11.675 12.409 3.093 1.00 0.00 H new ATOM 0 HG3 GLU A 37 11.382 11.695 4.666 1.00 0.00 H new ATOM 651 N GLU A 38 9.082 10.711 0.878 1.00 0.00 N ATOM 652 CA GLU A 38 8.386 11.524 -0.120 1.00 0.00 C ATOM 653 C GLU A 38 6.928 11.786 0.276 1.00 0.00 C ATOM 654 O GLU A 38 6.413 12.871 0.020 1.00 0.00 O ATOM 655 CB GLU A 38 8.450 10.826 -1.486 1.00 0.00 C ATOM 656 CG GLU A 38 9.705 11.186 -2.292 1.00 0.00 C ATOM 657 CD GLU A 38 9.439 12.372 -3.213 1.00 0.00 C ATOM 658 OE1 GLU A 38 9.464 13.511 -2.702 1.00 0.00 O ATOM 659 OE2 GLU A 38 9.186 12.110 -4.410 1.00 0.00 O ATOM 0 H GLU A 38 9.472 9.847 0.502 1.00 0.00 H new ATOM 0 HA GLU A 38 8.886 12.491 -0.178 1.00 0.00 H new ATOM 0 HB2 GLU A 38 8.419 9.747 -1.337 1.00 0.00 H new ATOM 0 HB3 GLU A 38 7.566 11.093 -2.065 1.00 0.00 H new ATOM 0 HG2 GLU A 38 10.523 11.425 -1.612 1.00 0.00 H new ATOM 0 HG3 GLU A 38 10.022 10.326 -2.882 1.00 0.00 H new ATOM 666 N HIS A 39 6.252 10.787 0.853 1.00 0.00 N ATOM 667 CA HIS A 39 4.849 10.846 1.244 1.00 0.00 C ATOM 668 C HIS A 39 4.566 12.133 2.019 1.00 0.00 C ATOM 669 O HIS A 39 5.005 12.243 3.167 1.00 0.00 O ATOM 670 CB HIS A 39 4.488 9.596 2.061 1.00 0.00 C ATOM 671 CG HIS A 39 3.069 9.540 2.581 1.00 0.00 C ATOM 672 ND1 HIS A 39 2.721 9.305 3.888 1.00 0.00 N ATOM 673 CD2 HIS A 39 1.906 9.571 1.857 1.00 0.00 C ATOM 674 CE1 HIS A 39 1.386 9.202 3.949 1.00 0.00 C ATOM 675 NE2 HIS A 39 0.837 9.345 2.730 1.00 0.00 N ATOM 0 H HIS A 39 6.685 9.888 1.065 1.00 0.00 H new ATOM 0 HA HIS A 39 4.222 10.860 0.353 1.00 0.00 H new ATOM 0 HB2 HIS A 39 4.663 8.716 1.442 1.00 0.00 H new ATOM 0 HB3 HIS A 39 5.169 9.530 2.909 1.00 0.00 H new ATOM 0 HD1 HIS A 39 3.365 9.223 4.675 1.00 0.00 H new ATOM 0 HD2 HIS A 39 1.828 9.741 0.793 1.00 0.00 H new ATOM 0 HE1 HIS A 39 0.826 9.027 4.856 1.00 0.00 H new ATOM 683 N PRO A 40 3.842 13.102 1.424 1.00 0.00 N ATOM 684 CA PRO A 40 3.573 14.387 2.048 1.00 0.00 C ATOM 685 C PRO A 40 2.574 14.168 3.183 1.00 0.00 C ATOM 686 O PRO A 40 1.373 14.376 3.036 1.00 0.00 O ATOM 687 CB PRO A 40 3.063 15.302 0.929 1.00 0.00 C ATOM 688 CG PRO A 40 2.492 14.345 -0.112 1.00 0.00 C ATOM 689 CD PRO A 40 3.245 13.033 0.097 1.00 0.00 C ATOM 0 HA PRO A 40 4.446 14.856 2.502 1.00 0.00 H new ATOM 0 HB2 PRO A 40 2.302 15.991 1.295 1.00 0.00 H new ATOM 0 HB3 PRO A 40 3.868 15.908 0.513 1.00 0.00 H new ATOM 0 HG2 PRO A 40 1.419 14.209 0.024 1.00 0.00 H new ATOM 0 HG3 PRO A 40 2.640 14.728 -1.122 1.00 0.00 H new ATOM 0 HD2 PRO A 40 2.569 12.182 0.020 1.00 0.00 H new ATOM 0 HD3 PRO A 40 4.012 12.901 -0.666 1.00 0.00 H new ATOM 697 N GLY A 41 3.097 13.683 4.306 1.00 0.00 N ATOM 698 CA GLY A 41 2.328 13.132 5.401 1.00 0.00 C ATOM 699 C GLY A 41 3.247 12.363 6.348 1.00 0.00 C ATOM 700 O GLY A 41 3.093 12.485 7.561 1.00 0.00 O ATOM 0 H GLY A 41 4.102 13.666 4.477 1.00 0.00 H new ATOM 0 HA2 GLY A 41 1.823 13.933 5.941 1.00 0.00 H new ATOM 0 HA3 GLY A 41 1.553 12.470 5.015 1.00 0.00 H new ATOM 704 N GLY A 42 4.218 11.601 5.817 1.00 0.00 N ATOM 705 CA GLY A 42 5.217 10.951 6.657 1.00 0.00 C ATOM 706 C GLY A 42 5.561 9.523 6.291 1.00 0.00 C ATOM 707 O GLY A 42 4.792 8.834 5.628 1.00 0.00 O ATOM 0 H GLY A 42 4.325 11.426 4.818 1.00 0.00 H new ATOM 0 HA2 GLY A 42 6.131 11.544 6.626 1.00 0.00 H new ATOM 0 HA3 GLY A 42 4.862 10.966 7.688 1.00 0.00 H new ATOM 711 N GLU A 43 6.676 9.055 6.851 1.00 0.00 N ATOM 712 CA GLU A 43 7.059 7.662 6.793 1.00 0.00 C ATOM 713 C GLU A 43 6.229 6.870 7.814 1.00 0.00 C ATOM 714 O GLU A 43 5.560 5.908 7.446 1.00 0.00 O ATOM 715 CB GLU A 43 8.581 7.572 7.042 1.00 0.00 C ATOM 716 CG GLU A 43 9.147 6.155 7.284 1.00 0.00 C ATOM 717 CD GLU A 43 9.402 5.799 8.749 1.00 0.00 C ATOM 718 OE1 GLU A 43 8.951 6.559 9.625 1.00 0.00 O ATOM 719 OE2 GLU A 43 10.050 4.747 8.970 1.00 0.00 O ATOM 0 H GLU A 43 7.337 9.643 7.359 1.00 0.00 H new ATOM 0 HA GLU A 43 6.856 7.223 5.816 1.00 0.00 H new ATOM 0 HB2 GLU A 43 9.095 8.005 6.184 1.00 0.00 H new ATOM 0 HB3 GLU A 43 8.825 8.191 7.905 1.00 0.00 H new ATOM 0 HG2 GLU A 43 8.452 5.427 6.865 1.00 0.00 H new ATOM 0 HG3 GLU A 43 10.083 6.056 6.734 1.00 0.00 H new ATOM 726 N GLU A 44 6.253 7.266 9.092 1.00 0.00 N ATOM 727 CA GLU A 44 5.781 6.432 10.199 1.00 0.00 C ATOM 728 C GLU A 44 4.341 5.970 9.983 1.00 0.00 C ATOM 729 O GLU A 44 4.069 4.772 9.949 1.00 0.00 O ATOM 730 CB GLU A 44 5.941 7.167 11.539 1.00 0.00 C ATOM 731 CG GLU A 44 5.752 6.209 12.727 1.00 0.00 C ATOM 732 CD GLU A 44 5.729 6.940 14.066 1.00 0.00 C ATOM 733 OE1 GLU A 44 6.307 8.047 14.125 1.00 0.00 O ATOM 734 OE2 GLU A 44 5.127 6.379 15.005 1.00 0.00 O ATOM 0 H GLU A 44 6.602 8.178 9.387 1.00 0.00 H new ATOM 0 HA GLU A 44 6.401 5.536 10.230 1.00 0.00 H new ATOM 0 HB2 GLU A 44 6.930 7.623 11.590 1.00 0.00 H new ATOM 0 HB3 GLU A 44 5.213 7.976 11.602 1.00 0.00 H new ATOM 0 HG2 GLU A 44 4.820 5.658 12.601 1.00 0.00 H new ATOM 0 HG3 GLU A 44 6.558 5.475 12.730 1.00 0.00 H new ATOM 741 N VAL A 45 3.423 6.922 9.792 1.00 0.00 N ATOM 742 CA VAL A 45 2.015 6.649 9.549 1.00 0.00 C ATOM 743 C VAL A 45 1.841 5.602 8.444 1.00 0.00 C ATOM 744 O VAL A 45 1.000 4.711 8.535 1.00 0.00 O ATOM 745 CB VAL A 45 1.277 7.963 9.235 1.00 0.00 C ATOM 746 CG1 VAL A 45 1.349 8.927 10.428 1.00 0.00 C ATOM 747 CG2 VAL A 45 1.778 8.682 7.972 1.00 0.00 C ATOM 0 H VAL A 45 3.647 7.917 9.803 1.00 0.00 H new ATOM 0 HA VAL A 45 1.570 6.224 10.449 1.00 0.00 H new ATOM 0 HB VAL A 45 0.245 7.670 9.042 1.00 0.00 H new ATOM 0 HG11 VAL A 45 0.821 9.849 10.183 1.00 0.00 H new ATOM 0 HG12 VAL A 45 0.886 8.463 11.299 1.00 0.00 H new ATOM 0 HG13 VAL A 45 2.392 9.154 10.650 1.00 0.00 H new ATOM 0 HG21 VAL A 45 1.206 9.598 7.823 1.00 0.00 H new ATOM 0 HG22 VAL A 45 2.833 8.929 8.088 1.00 0.00 H new ATOM 0 HG23 VAL A 45 1.651 8.030 7.108 1.00 0.00 H new ATOM 757 N LEU A 46 2.680 5.689 7.413 1.00 0.00 N ATOM 758 CA LEU A 46 2.694 4.767 6.299 1.00 0.00 C ATOM 759 C LEU A 46 3.171 3.393 6.799 1.00 0.00 C ATOM 760 O LEU A 46 2.486 2.377 6.652 1.00 0.00 O ATOM 761 CB LEU A 46 3.604 5.393 5.222 1.00 0.00 C ATOM 762 CG LEU A 46 3.234 5.048 3.784 1.00 0.00 C ATOM 763 CD1 LEU A 46 3.227 3.518 3.657 1.00 0.00 C ATOM 764 CD2 LEU A 46 1.891 5.673 3.380 1.00 0.00 C ATOM 0 H LEU A 46 3.383 6.424 7.336 1.00 0.00 H new ATOM 0 HA LEU A 46 1.710 4.601 5.860 1.00 0.00 H new ATOM 0 HB2 LEU A 46 3.584 6.477 5.336 1.00 0.00 H new ATOM 0 HB3 LEU A 46 4.630 5.073 5.404 1.00 0.00 H new ATOM 0 HG LEU A 46 3.968 5.467 3.095 1.00 0.00 H new ATOM 0 HD11 LEU A 46 2.965 3.239 2.636 1.00 0.00 H new ATOM 0 HD12 LEU A 46 4.216 3.128 3.897 1.00 0.00 H new ATOM 0 HD13 LEU A 46 2.495 3.099 4.347 1.00 0.00 H new ATOM 0 HD21 LEU A 46 1.661 5.405 2.349 1.00 0.00 H new ATOM 0 HD22 LEU A 46 1.104 5.300 4.036 1.00 0.00 H new ATOM 0 HD23 LEU A 46 1.953 6.758 3.468 1.00 0.00 H new ATOM 776 N ARG A 47 4.350 3.374 7.428 1.00 0.00 N ATOM 777 CA ARG A 47 4.985 2.173 7.954 1.00 0.00 C ATOM 778 C ARG A 47 4.206 1.495 9.072 1.00 0.00 C ATOM 779 O ARG A 47 4.492 0.343 9.376 1.00 0.00 O ATOM 780 CB ARG A 47 6.433 2.465 8.384 1.00 0.00 C ATOM 781 CG ARG A 47 7.451 2.010 7.324 1.00 0.00 C ATOM 782 CD ARG A 47 8.175 0.689 7.669 1.00 0.00 C ATOM 783 NE ARG A 47 9.634 0.879 7.771 1.00 0.00 N ATOM 784 CZ ARG A 47 10.212 1.778 8.583 1.00 0.00 C ATOM 785 NH1 ARG A 47 9.510 2.316 9.576 1.00 0.00 N ATOM 786 NH2 ARG A 47 11.468 2.184 8.379 1.00 0.00 N ATOM 0 H ARG A 47 4.899 4.218 7.587 1.00 0.00 H new ATOM 0 HA ARG A 47 4.993 1.457 7.132 1.00 0.00 H new ATOM 0 HB2 ARG A 47 6.550 3.534 8.564 1.00 0.00 H new ATOM 0 HB3 ARG A 47 6.640 1.959 9.327 1.00 0.00 H new ATOM 0 HG2 ARG A 47 6.937 1.892 6.370 1.00 0.00 H new ATOM 0 HG3 ARG A 47 8.195 2.795 7.190 1.00 0.00 H new ATOM 0 HD2 ARG A 47 7.792 0.299 8.612 1.00 0.00 H new ATOM 0 HD3 ARG A 47 7.957 -0.056 6.904 1.00 0.00 H new ATOM 0 HE ARG A 47 10.237 0.295 7.192 1.00 0.00 H new ATOM 0 HH11 ARG A 47 8.537 2.045 9.718 1.00 0.00 H new ATOM 0 HH12 ARG A 47 9.945 3.000 10.196 1.00 0.00 H new ATOM 0 HH21 ARG A 47 12.004 1.810 7.596 1.00 0.00 H new ATOM 0 HH22 ARG A 47 11.891 2.868 9.006 1.00 0.00 H new ATOM 800 N GLU A 48 3.240 2.173 9.677 1.00 0.00 N ATOM 801 CA GLU A 48 2.400 1.605 10.710 1.00 0.00 C ATOM 802 C GLU A 48 1.478 0.531 10.125 1.00 0.00 C ATOM 803 O GLU A 48 1.459 -0.603 10.602 1.00 0.00 O ATOM 804 CB GLU A 48 1.631 2.744 11.395 1.00 0.00 C ATOM 805 CG GLU A 48 2.292 3.136 12.722 1.00 0.00 C ATOM 806 CD GLU A 48 2.049 2.078 13.794 1.00 0.00 C ATOM 807 OE1 GLU A 48 0.994 2.181 14.455 1.00 0.00 O ATOM 808 OE2 GLU A 48 2.895 1.163 13.904 1.00 0.00 O ATOM 0 H GLU A 48 3.019 3.144 9.458 1.00 0.00 H new ATOM 0 HA GLU A 48 3.006 1.103 11.464 1.00 0.00 H new ATOM 0 HB2 GLU A 48 1.593 3.610 10.734 1.00 0.00 H new ATOM 0 HB3 GLU A 48 0.601 2.435 11.575 1.00 0.00 H new ATOM 0 HG2 GLU A 48 3.364 3.266 12.573 1.00 0.00 H new ATOM 0 HG3 GLU A 48 1.898 4.095 13.058 1.00 0.00 H new ATOM 815 N GLN A 49 0.722 0.888 9.082 1.00 0.00 N ATOM 816 CA GLN A 49 -0.321 0.036 8.511 1.00 0.00 C ATOM 817 C GLN A 49 0.228 -0.880 7.414 1.00 0.00 C ATOM 818 O GLN A 49 -0.406 -1.866 7.046 1.00 0.00 O ATOM 819 CB GLN A 49 -1.463 0.910 7.976 1.00 0.00 C ATOM 820 CG GLN A 49 -2.747 0.821 8.821 1.00 0.00 C ATOM 821 CD GLN A 49 -3.462 -0.530 8.757 1.00 0.00 C ATOM 822 OE1 GLN A 49 -3.032 -1.446 8.067 1.00 0.00 O ATOM 823 NE2 GLN A 49 -4.584 -0.668 9.458 1.00 0.00 N ATOM 0 H GLN A 49 0.819 1.786 8.607 1.00 0.00 H new ATOM 0 HA GLN A 49 -0.704 -0.611 9.300 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -1.131 1.948 7.941 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -1.689 0.613 6.952 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -2.497 1.036 9.860 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -3.437 1.598 8.492 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -4.928 0.105 10.028 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -5.100 -1.547 9.426 1.00 0.00 H new ATOM 832 N ALA A 50 1.391 -0.539 6.857 1.00 0.00 N ATOM 833 CA ALA A 50 2.092 -1.384 5.905 1.00 0.00 C ATOM 834 C ALA A 50 2.068 -2.878 6.268 1.00 0.00 C ATOM 835 O ALA A 50 2.064 -3.257 7.437 1.00 0.00 O ATOM 836 CB ALA A 50 3.503 -0.830 5.696 1.00 0.00 C ATOM 0 H ALA A 50 1.871 0.338 7.059 1.00 0.00 H new ATOM 0 HA ALA A 50 1.558 -1.349 4.955 1.00 0.00 H new ATOM 0 HB1 ALA A 50 4.038 -1.457 4.983 1.00 0.00 H new ATOM 0 HB2 ALA A 50 3.441 0.187 5.310 1.00 0.00 H new ATOM 0 HB3 ALA A 50 4.036 -0.825 6.647 1.00 0.00 H new ATOM 842 N GLY A 51 2.046 -3.726 5.237 1.00 0.00 N ATOM 843 CA GLY A 51 1.906 -5.171 5.346 1.00 0.00 C ATOM 844 C GLY A 51 0.537 -5.572 5.892 1.00 0.00 C ATOM 845 O GLY A 51 0.440 -6.488 6.705 1.00 0.00 O ATOM 0 H GLY A 51 2.128 -3.409 4.271 1.00 0.00 H new ATOM 0 HA2 GLY A 51 2.053 -5.625 4.366 1.00 0.00 H new ATOM 0 HA3 GLY A 51 2.686 -5.563 5.999 1.00 0.00 H new ATOM 849 N GLY A 52 -0.530 -4.912 5.429 1.00 0.00 N ATOM 850 CA GLY A 52 -1.889 -5.196 5.831 1.00 0.00 C ATOM 851 C GLY A 52 -2.836 -4.269 5.072 1.00 0.00 C ATOM 852 O GLY A 52 -2.390 -3.420 4.291 1.00 0.00 O ATOM 0 H GLY A 52 -0.459 -4.153 4.752 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -2.134 -6.237 5.622 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -2.002 -5.052 6.906 1.00 0.00 H new ATOM 856 N ASP A 53 -4.137 -4.456 5.301 1.00 0.00 N ATOM 857 CA ASP A 53 -5.217 -3.611 4.816 1.00 0.00 C ATOM 858 C ASP A 53 -5.068 -2.205 5.377 1.00 0.00 C ATOM 859 O ASP A 53 -5.665 -1.866 6.399 1.00 0.00 O ATOM 860 CB ASP A 53 -6.579 -4.186 5.234 1.00 0.00 C ATOM 861 CG ASP A 53 -6.904 -5.508 4.567 1.00 0.00 C ATOM 862 OD1 ASP A 53 -6.186 -6.483 4.880 1.00 0.00 O ATOM 863 OD2 ASP A 53 -7.860 -5.511 3.762 1.00 0.00 O ATOM 0 H ASP A 53 -4.477 -5.240 5.857 1.00 0.00 H new ATOM 0 HA ASP A 53 -5.166 -3.577 3.728 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -6.592 -4.320 6.316 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -7.359 -3.464 4.993 1.00 0.00 H new ATOM 868 N ALA A 54 -4.329 -1.353 4.669 1.00 0.00 N ATOM 869 CA ALA A 54 -4.189 0.025 5.076 1.00 0.00 C ATOM 870 C ALA A 54 -5.412 0.830 4.641 1.00 0.00 C ATOM 871 O ALA A 54 -5.543 1.990 5.029 1.00 0.00 O ATOM 872 CB ALA A 54 -2.878 0.564 4.526 1.00 0.00 C ATOM 0 H ALA A 54 -3.825 -1.600 3.817 1.00 0.00 H new ATOM 0 HA ALA A 54 -4.148 0.110 6.162 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -2.758 1.605 4.826 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -2.049 -0.024 4.919 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -2.885 0.498 3.438 1.00 0.00 H new ATOM 878 N THR A 55 -6.311 0.215 3.857 1.00 0.00 N ATOM 879 CA THR A 55 -7.568 0.777 3.407 1.00 0.00 C ATOM 880 C THR A 55 -8.264 1.574 4.507 1.00 0.00 C ATOM 881 O THR A 55 -8.574 2.745 4.311 1.00 0.00 O ATOM 882 CB THR A 55 -8.480 -0.363 2.921 1.00 0.00 C ATOM 883 OG1 THR A 55 -7.719 -1.363 2.272 1.00 0.00 O ATOM 884 CG2 THR A 55 -9.515 0.201 1.952 1.00 0.00 C ATOM 0 H THR A 55 -6.162 -0.733 3.510 1.00 0.00 H new ATOM 0 HA THR A 55 -7.362 1.469 2.591 1.00 0.00 H new ATOM 0 HB THR A 55 -8.980 -0.809 3.781 1.00 0.00 H new ATOM 0 HG1 THR A 55 -7.454 -2.046 2.923 1.00 0.00 H new ATOM 0 HG21 THR A 55 -10.164 -0.603 1.604 1.00 0.00 H new ATOM 0 HG22 THR A 55 -10.114 0.957 2.459 1.00 0.00 H new ATOM 0 HG23 THR A 55 -9.007 0.652 1.099 1.00 0.00 H new ATOM 892 N GLU A 56 -8.487 0.925 5.655 1.00 0.00 N ATOM 893 CA GLU A 56 -9.164 1.495 6.813 1.00 0.00 C ATOM 894 C GLU A 56 -8.612 2.895 7.098 1.00 0.00 C ATOM 895 O GLU A 56 -9.340 3.880 7.111 1.00 0.00 O ATOM 896 CB GLU A 56 -8.970 0.537 8.013 1.00 0.00 C ATOM 897 CG GLU A 56 -10.288 0.124 8.681 1.00 0.00 C ATOM 898 CD GLU A 56 -10.992 1.300 9.343 1.00 0.00 C ATOM 899 OE1 GLU A 56 -10.298 2.008 10.101 1.00 0.00 O ATOM 900 OE2 GLU A 56 -12.204 1.449 9.083 1.00 0.00 O ATOM 0 H GLU A 56 -8.191 -0.040 5.803 1.00 0.00 H new ATOM 0 HA GLU A 56 -10.232 1.603 6.625 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -8.447 -0.357 7.674 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -8.331 1.018 8.753 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -10.948 -0.319 7.935 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -10.089 -0.645 9.427 1.00 0.00 H new ATOM 907 N ASN A 57 -7.291 2.980 7.247 1.00 0.00 N ATOM 908 CA ASN A 57 -6.595 4.198 7.644 1.00 0.00 C ATOM 909 C ASN A 57 -6.573 5.210 6.489 1.00 0.00 C ATOM 910 O ASN A 57 -6.879 6.392 6.645 1.00 0.00 O ATOM 911 CB ASN A 57 -5.192 3.791 8.110 1.00 0.00 C ATOM 912 CG ASN A 57 -4.555 4.826 9.030 1.00 0.00 C ATOM 913 OD1 ASN A 57 -4.544 6.013 8.734 1.00 0.00 O ATOM 914 ND2 ASN A 57 -4.000 4.379 10.154 1.00 0.00 N ATOM 0 H ASN A 57 -6.666 2.189 7.092 1.00 0.00 H new ATOM 0 HA ASN A 57 -7.109 4.701 8.463 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -5.249 2.835 8.630 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -4.553 3.642 7.239 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -3.550 5.032 10.795 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -4.025 3.383 10.374 1.00 0.00 H new ATOM 921 N PHE A 58 -6.242 4.724 5.291 1.00 0.00 N ATOM 922 CA PHE A 58 -6.233 5.507 4.060 1.00 0.00 C ATOM 923 C PHE A 58 -7.568 6.233 3.828 1.00 0.00 C ATOM 924 O PHE A 58 -7.565 7.404 3.432 1.00 0.00 O ATOM 925 CB PHE A 58 -5.882 4.573 2.895 1.00 0.00 C ATOM 926 CG PHE A 58 -6.073 5.165 1.514 1.00 0.00 C ATOM 927 CD1 PHE A 58 -5.111 6.032 0.963 1.00 0.00 C ATOM 928 CD2 PHE A 58 -7.182 4.777 0.740 1.00 0.00 C ATOM 929 CE1 PHE A 58 -5.269 6.518 -0.348 1.00 0.00 C ATOM 930 CE2 PHE A 58 -7.355 5.287 -0.556 1.00 0.00 C ATOM 931 CZ PHE A 58 -6.407 6.170 -1.097 1.00 0.00 C ATOM 0 H PHE A 58 -5.967 3.752 5.150 1.00 0.00 H new ATOM 0 HA PHE A 58 -5.480 6.292 4.138 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -4.842 4.263 2.999 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -6.492 3.673 2.975 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -4.251 6.325 1.547 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -7.904 4.083 1.145 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -4.515 7.159 -0.780 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -8.218 5.000 -1.138 1.00 0.00 H new ATOM 0 HZ PHE A 58 -6.551 6.581 -2.085 1.00 0.00 H new ATOM 941 N GLU A 59 -8.686 5.534 4.063 1.00 0.00 N ATOM 942 CA GLU A 59 -10.042 6.044 3.889 1.00 0.00 C ATOM 943 C GLU A 59 -10.528 6.814 5.122 1.00 0.00 C ATOM 944 O GLU A 59 -11.278 7.773 4.962 1.00 0.00 O ATOM 945 CB GLU A 59 -11.007 4.901 3.554 1.00 0.00 C ATOM 946 CG GLU A 59 -10.881 4.378 2.112 1.00 0.00 C ATOM 947 CD GLU A 59 -11.150 5.397 0.993 1.00 0.00 C ATOM 948 OE1 GLU A 59 -12.086 6.207 1.159 1.00 0.00 O ATOM 949 OE2 GLU A 59 -10.435 5.361 -0.040 1.00 0.00 O ATOM 0 H GLU A 59 -8.665 4.568 4.390 1.00 0.00 H new ATOM 0 HA GLU A 59 -10.022 6.745 3.055 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -10.832 4.077 4.245 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -12.029 5.242 3.718 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -9.875 3.981 1.979 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -11.572 3.544 1.989 1.00 0.00 H new ATOM 956 N ASP A 60 -10.106 6.433 6.337 1.00 0.00 N ATOM 957 CA ASP A 60 -10.313 7.252 7.532 1.00 0.00 C ATOM 958 C ASP A 60 -9.862 8.683 7.233 1.00 0.00 C ATOM 959 O ASP A 60 -10.602 9.642 7.446 1.00 0.00 O ATOM 960 CB ASP A 60 -9.545 6.672 8.727 1.00 0.00 C ATOM 961 CG ASP A 60 -9.641 7.592 9.936 1.00 0.00 C ATOM 962 OD1 ASP A 60 -10.641 7.466 10.674 1.00 0.00 O ATOM 963 OD2 ASP A 60 -8.714 8.416 10.094 1.00 0.00 O ATOM 0 H ASP A 60 -9.616 5.556 6.514 1.00 0.00 H new ATOM 0 HA ASP A 60 -11.371 7.255 7.795 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -9.946 5.690 8.980 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -8.499 6.529 8.457 1.00 0.00 H new ATOM 968 N VAL A 61 -8.669 8.801 6.643 1.00 0.00 N ATOM 969 CA VAL A 61 -8.199 10.045 6.053 1.00 0.00 C ATOM 970 C VAL A 61 -9.093 10.477 4.882 1.00 0.00 C ATOM 971 O VAL A 61 -9.624 11.586 4.892 1.00 0.00 O ATOM 972 CB VAL A 61 -6.711 9.902 5.699 1.00 0.00 C ATOM 973 CG1 VAL A 61 -6.247 10.977 4.706 1.00 0.00 C ATOM 974 CG2 VAL A 61 -5.865 9.991 6.978 1.00 0.00 C ATOM 0 H VAL A 61 -8.005 8.031 6.564 1.00 0.00 H new ATOM 0 HA VAL A 61 -8.276 10.861 6.772 1.00 0.00 H new ATOM 0 HB VAL A 61 -6.579 8.930 5.224 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -5.189 10.836 4.485 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -6.824 10.895 3.785 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -6.398 11.965 5.142 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -4.810 9.889 6.724 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -6.031 10.955 7.458 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -6.153 9.192 7.661 1.00 0.00 H new ATOM 984 N GLY A 62 -9.242 9.636 3.855 1.00 0.00 N ATOM 985 CA GLY A 62 -10.009 9.999 2.670 1.00 0.00 C ATOM 986 C GLY A 62 -9.144 10.885 1.778 1.00 0.00 C ATOM 987 O GLY A 62 -9.367 12.086 1.648 1.00 0.00 O ATOM 0 H GLY A 62 -8.840 8.699 3.824 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -10.315 9.103 2.129 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -10.919 10.526 2.956 1.00 0.00 H new ATOM 991 N HIS A 63 -8.120 10.265 1.190 1.00 0.00 N ATOM 992 CA HIS A 63 -7.062 10.930 0.445 1.00 0.00 C ATOM 993 C HIS A 63 -7.539 11.746 -0.765 1.00 0.00 C ATOM 994 O HIS A 63 -8.653 11.580 -1.264 1.00 0.00 O ATOM 995 CB HIS A 63 -6.069 9.864 -0.015 1.00 0.00 C ATOM 996 CG HIS A 63 -5.032 9.513 1.014 1.00 0.00 C ATOM 997 ND1 HIS A 63 -5.229 8.900 2.232 1.00 0.00 N ATOM 998 CD2 HIS A 63 -3.693 9.736 0.865 1.00 0.00 C ATOM 999 CE1 HIS A 63 -4.014 8.769 2.798 1.00 0.00 C ATOM 1000 NE2 HIS A 63 -3.041 9.249 1.994 1.00 0.00 N ATOM 0 H HIS A 63 -8.005 9.252 1.223 1.00 0.00 H new ATOM 0 HA HIS A 63 -6.609 11.658 1.119 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -6.618 8.962 -0.285 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -5.567 10.214 -0.917 1.00 0.00 H new ATOM 0 HD1 HIS A 63 -6.121 8.603 2.628 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -3.221 10.209 0.017 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -3.840 8.335 3.772 1.00 0.00 H new ATOM 1008 N SER A 64 -6.636 12.601 -1.262 1.00 0.00 N ATOM 1009 CA SER A 64 -6.828 13.432 -2.438 1.00 0.00 C ATOM 1010 C SER A 64 -6.953 12.598 -3.717 1.00 0.00 C ATOM 1011 O SER A 64 -6.723 11.388 -3.738 1.00 0.00 O ATOM 1012 CB SER A 64 -5.639 14.399 -2.544 1.00 0.00 C ATOM 1013 OG SER A 64 -4.426 13.667 -2.598 1.00 0.00 O ATOM 0 H SER A 64 -5.720 12.731 -0.833 1.00 0.00 H new ATOM 0 HA SER A 64 -7.762 13.984 -2.331 1.00 0.00 H new ATOM 0 HB2 SER A 64 -5.741 15.018 -3.435 1.00 0.00 H new ATOM 0 HB3 SER A 64 -5.630 15.073 -1.687 1.00 0.00 H new ATOM 0 HG SER A 64 -3.672 14.289 -2.667 1.00 0.00 H new ATOM 1019 N THR A 65 -7.284 13.279 -4.815 1.00 0.00 N ATOM 1020 CA THR A 65 -7.299 12.670 -6.138 1.00 0.00 C ATOM 1021 C THR A 65 -5.865 12.357 -6.582 1.00 0.00 C ATOM 1022 O THR A 65 -5.583 11.230 -6.987 1.00 0.00 O ATOM 1023 CB THR A 65 -8.058 13.582 -7.110 1.00 0.00 C ATOM 1024 OG1 THR A 65 -9.379 13.753 -6.629 1.00 0.00 O ATOM 1025 CG2 THR A 65 -8.133 12.979 -8.512 1.00 0.00 C ATOM 0 H THR A 65 -7.548 14.264 -4.809 1.00 0.00 H new ATOM 0 HA THR A 65 -7.830 11.718 -6.120 1.00 0.00 H new ATOM 0 HB THR A 65 -7.526 14.531 -7.171 1.00 0.00 H new ATOM 0 HG1 THR A 65 -9.877 14.336 -7.240 1.00 0.00 H new ATOM 0 HG21 THR A 65 -8.678 13.655 -9.170 1.00 0.00 H new ATOM 0 HG22 THR A 65 -7.125 12.831 -8.899 1.00 0.00 H new ATOM 0 HG23 THR A 65 -8.650 12.020 -8.469 1.00 0.00 H new ATOM 1033 N ASP A 66 -4.952 13.327 -6.429 1.00 0.00 N ATOM 1034 CA ASP A 66 -3.534 13.163 -6.742 1.00 0.00 C ATOM 1035 C ASP A 66 -3.016 11.859 -6.156 1.00 0.00 C ATOM 1036 O ASP A 66 -2.379 11.064 -6.845 1.00 0.00 O ATOM 1037 CB ASP A 66 -2.712 14.318 -6.160 1.00 0.00 C ATOM 1038 CG ASP A 66 -3.039 15.644 -6.818 1.00 0.00 C ATOM 1039 OD1 ASP A 66 -2.564 15.851 -7.953 1.00 0.00 O ATOM 1040 OD2 ASP A 66 -3.775 16.414 -6.163 1.00 0.00 O ATOM 0 H ASP A 66 -5.185 14.257 -6.080 1.00 0.00 H new ATOM 0 HA ASP A 66 -3.431 13.154 -7.827 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -2.899 14.390 -5.089 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -1.650 14.105 -6.285 1.00 0.00 H new ATOM 1045 N ALA A 67 -3.306 11.638 -4.869 1.00 0.00 N ATOM 1046 CA ALA A 67 -2.951 10.402 -4.203 1.00 0.00 C ATOM 1047 C ALA A 67 -3.428 9.196 -5.004 1.00 0.00 C ATOM 1048 O ALA A 67 -2.613 8.324 -5.281 1.00 0.00 O ATOM 1049 CB ALA A 67 -3.519 10.373 -2.787 1.00 0.00 C ATOM 0 H ALA A 67 -3.789 12.311 -4.273 1.00 0.00 H new ATOM 0 HA ALA A 67 -1.864 10.351 -4.136 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -3.242 9.437 -2.303 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -3.116 11.210 -2.216 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -4.605 10.452 -2.829 1.00 0.00 H new ATOM 1055 N ARG A 68 -4.711 9.127 -5.385 1.00 0.00 N ATOM 1056 CA ARG A 68 -5.248 7.990 -6.129 1.00 0.00 C ATOM 1057 C ARG A 68 -4.415 7.716 -7.388 1.00 0.00 C ATOM 1058 O ARG A 68 -3.981 6.583 -7.605 1.00 0.00 O ATOM 1059 CB ARG A 68 -6.739 8.162 -6.461 1.00 0.00 C ATOM 1060 CG ARG A 68 -7.595 8.121 -5.182 1.00 0.00 C ATOM 1061 CD ARG A 68 -8.736 7.084 -5.255 1.00 0.00 C ATOM 1062 NE ARG A 68 -9.291 6.736 -3.923 1.00 0.00 N ATOM 1063 CZ ARG A 68 -10.134 7.488 -3.189 1.00 0.00 C ATOM 1064 NH1 ARG A 68 -10.498 8.685 -3.661 1.00 0.00 N ATOM 1065 NH2 ARG A 68 -10.620 7.070 -2.010 1.00 0.00 N ATOM 0 H ARG A 68 -5.398 9.854 -5.186 1.00 0.00 H new ATOM 0 HA ARG A 68 -5.175 7.116 -5.481 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -6.894 9.110 -6.977 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -7.057 7.373 -7.142 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -6.955 7.890 -4.330 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -8.020 9.109 -5.003 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -9.535 7.475 -5.884 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -8.366 6.179 -5.736 1.00 0.00 H new ATOM 0 HE ARG A 68 -9.007 5.841 -3.525 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -10.138 9.010 -4.558 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -11.135 9.273 -3.124 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -10.353 6.156 -1.643 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -11.257 7.666 -1.481 1.00 0.00 H new ATOM 1079 N GLU A 69 -4.156 8.739 -8.206 1.00 0.00 N ATOM 1080 CA GLU A 69 -3.319 8.551 -9.385 1.00 0.00 C ATOM 1081 C GLU A 69 -1.918 8.069 -8.999 1.00 0.00 C ATOM 1082 O GLU A 69 -1.422 7.075 -9.536 1.00 0.00 O ATOM 1083 CB GLU A 69 -3.249 9.833 -10.223 1.00 0.00 C ATOM 1084 CG GLU A 69 -4.502 10.016 -11.094 1.00 0.00 C ATOM 1085 CD GLU A 69 -5.367 11.183 -10.643 1.00 0.00 C ATOM 1086 OE1 GLU A 69 -4.838 12.314 -10.648 1.00 0.00 O ATOM 1087 OE2 GLU A 69 -6.545 10.919 -10.321 1.00 0.00 O ATOM 0 H GLU A 69 -4.508 9.687 -8.075 1.00 0.00 H new ATOM 0 HA GLU A 69 -3.780 7.776 -9.998 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -3.137 10.693 -9.563 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -2.365 9.803 -10.860 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -4.200 10.172 -12.129 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -5.093 9.101 -11.069 1.00 0.00 H new ATOM 1094 N LEU A 70 -1.281 8.755 -8.048 1.00 0.00 N ATOM 1095 CA LEU A 70 0.047 8.388 -7.578 1.00 0.00 C ATOM 1096 C LEU A 70 0.056 6.940 -7.074 1.00 0.00 C ATOM 1097 O LEU A 70 1.043 6.229 -7.243 1.00 0.00 O ATOM 1098 CB LEU A 70 0.536 9.385 -6.514 1.00 0.00 C ATOM 1099 CG LEU A 70 2.067 9.533 -6.508 1.00 0.00 C ATOM 1100 CD1 LEU A 70 2.553 10.387 -7.689 1.00 0.00 C ATOM 1101 CD2 LEU A 70 2.527 10.214 -5.214 1.00 0.00 C ATOM 0 H LEU A 70 -1.673 9.576 -7.587 1.00 0.00 H new ATOM 0 HA LEU A 70 0.749 8.441 -8.410 1.00 0.00 H new ATOM 0 HB2 LEU A 70 0.080 10.358 -6.696 1.00 0.00 H new ATOM 0 HB3 LEU A 70 0.202 9.055 -5.530 1.00 0.00 H new ATOM 0 HG LEU A 70 2.487 8.530 -6.587 1.00 0.00 H new ATOM 0 HD11 LEU A 70 3.639 10.471 -7.654 1.00 0.00 H new ATOM 0 HD12 LEU A 70 2.255 9.916 -8.626 1.00 0.00 H new ATOM 0 HD13 LEU A 70 2.110 11.381 -7.626 1.00 0.00 H new ATOM 0 HD21 LEU A 70 3.612 10.313 -5.221 1.00 0.00 H new ATOM 0 HD22 LEU A 70 2.073 11.202 -5.142 1.00 0.00 H new ATOM 0 HD23 LEU A 70 2.223 9.611 -4.358 1.00 0.00 H new ATOM 1113 N SER A 71 -1.059 6.478 -6.504 1.00 0.00 N ATOM 1114 CA SER A 71 -1.218 5.088 -6.114 1.00 0.00 C ATOM 1115 C SER A 71 -0.984 4.179 -7.317 1.00 0.00 C ATOM 1116 O SER A 71 -0.193 3.246 -7.231 1.00 0.00 O ATOM 1117 CB SER A 71 -2.589 4.806 -5.490 1.00 0.00 C ATOM 1118 OG SER A 71 -3.013 5.773 -4.557 1.00 0.00 O ATOM 0 H SER A 71 -1.872 7.061 -6.303 1.00 0.00 H new ATOM 0 HA SER A 71 -0.472 4.879 -5.347 1.00 0.00 H new ATOM 0 HB2 SER A 71 -3.330 4.737 -6.286 1.00 0.00 H new ATOM 0 HB3 SER A 71 -2.558 3.833 -4.999 1.00 0.00 H new ATOM 0 HG SER A 71 -3.143 6.631 -5.012 1.00 0.00 H new ATOM 1124 N LYS A 72 -1.634 4.445 -8.454 1.00 0.00 N ATOM 1125 CA LYS A 72 -1.434 3.626 -9.641 1.00 0.00 C ATOM 1126 C LYS A 72 0.049 3.588 -10.020 1.00 0.00 C ATOM 1127 O LYS A 72 0.590 2.521 -10.287 1.00 0.00 O ATOM 1128 CB LYS A 72 -2.315 4.085 -10.812 1.00 0.00 C ATOM 1129 CG LYS A 72 -3.374 3.021 -11.154 1.00 0.00 C ATOM 1130 CD LYS A 72 -4.046 3.316 -12.505 1.00 0.00 C ATOM 1131 CE LYS A 72 -3.249 2.747 -13.693 1.00 0.00 C ATOM 1132 NZ LYS A 72 -3.440 1.294 -13.880 1.00 0.00 N ATOM 0 H LYS A 72 -2.295 5.213 -8.572 1.00 0.00 H new ATOM 0 HA LYS A 72 -1.747 2.609 -9.404 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -2.806 5.024 -10.556 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -1.693 4.279 -11.686 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -2.907 2.037 -11.185 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -4.129 2.991 -10.369 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -5.050 2.892 -12.508 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -4.154 4.394 -12.626 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -3.547 3.266 -14.604 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -2.189 2.951 -13.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -2.878 0.972 -14.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -3.130 0.790 -13.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -4.446 1.096 -14.054 1.00 0.00 H new ATOM 1146 N THR A 73 0.734 4.729 -9.978 1.00 0.00 N ATOM 1147 CA THR A 73 2.173 4.798 -10.188 1.00 0.00 C ATOM 1148 C THR A 73 2.979 3.894 -9.233 1.00 0.00 C ATOM 1149 O THR A 73 4.105 3.526 -9.561 1.00 0.00 O ATOM 1150 CB THR A 73 2.576 6.281 -10.143 1.00 0.00 C ATOM 1151 OG1 THR A 73 2.191 6.881 -11.363 1.00 0.00 O ATOM 1152 CG2 THR A 73 4.059 6.524 -9.882 1.00 0.00 C ATOM 0 H THR A 73 0.301 5.635 -9.796 1.00 0.00 H new ATOM 0 HA THR A 73 2.424 4.389 -11.167 1.00 0.00 H new ATOM 0 HB THR A 73 2.061 6.729 -9.293 1.00 0.00 H new ATOM 0 HG1 THR A 73 2.438 7.829 -11.354 1.00 0.00 H new ATOM 0 HG21 THR A 73 4.255 7.596 -9.867 1.00 0.00 H new ATOM 0 HG22 THR A 73 4.335 6.091 -8.921 1.00 0.00 H new ATOM 0 HG23 THR A 73 4.648 6.059 -10.672 1.00 0.00 H new ATOM 1160 N TYR A 74 2.427 3.501 -8.077 1.00 0.00 N ATOM 1161 CA TYR A 74 3.080 2.600 -7.131 1.00 0.00 C ATOM 1162 C TYR A 74 2.556 1.169 -7.249 1.00 0.00 C ATOM 1163 O TYR A 74 2.981 0.305 -6.483 1.00 0.00 O ATOM 1164 CB TYR A 74 2.855 3.103 -5.701 1.00 0.00 C ATOM 1165 CG TYR A 74 3.620 4.361 -5.352 1.00 0.00 C ATOM 1166 CD1 TYR A 74 5.025 4.367 -5.418 1.00 0.00 C ATOM 1167 CD2 TYR A 74 2.937 5.522 -4.953 1.00 0.00 C ATOM 1168 CE1 TYR A 74 5.730 5.571 -5.256 1.00 0.00 C ATOM 1169 CE2 TYR A 74 3.647 6.713 -4.741 1.00 0.00 C ATOM 1170 CZ TYR A 74 5.029 6.756 -4.981 1.00 0.00 C ATOM 1171 OH TYR A 74 5.677 7.954 -5.006 1.00 0.00 O ATOM 0 H TYR A 74 1.502 3.807 -7.773 1.00 0.00 H new ATOM 0 HA TYR A 74 4.144 2.590 -7.367 1.00 0.00 H new ATOM 0 HB2 TYR A 74 1.791 3.288 -5.558 1.00 0.00 H new ATOM 0 HB3 TYR A 74 3.138 2.315 -5.003 1.00 0.00 H new ATOM 0 HD1 TYR A 74 5.562 3.446 -5.593 1.00 0.00 H new ATOM 0 HD2 TYR A 74 1.867 5.498 -4.810 1.00 0.00 H new ATOM 0 HE1 TYR A 74 6.806 5.585 -5.343 1.00 0.00 H new ATOM 0 HE2 TYR A 74 3.131 7.596 -4.394 1.00 0.00 H new ATOM 0 HH TYR A 74 5.494 8.442 -4.176 1.00 0.00 H new ATOM 1181 N ILE A 75 1.611 0.914 -8.157 1.00 0.00 N ATOM 1182 CA ILE A 75 0.936 -0.368 -8.251 1.00 0.00 C ATOM 1183 C ILE A 75 1.940 -1.461 -8.601 1.00 0.00 C ATOM 1184 O ILE A 75 2.564 -1.430 -9.659 1.00 0.00 O ATOM 1185 CB ILE A 75 -0.269 -0.278 -9.194 1.00 0.00 C ATOM 1186 CG1 ILE A 75 -1.298 -1.358 -8.820 1.00 0.00 C ATOM 1187 CG2 ILE A 75 0.107 -0.385 -10.680 1.00 0.00 C ATOM 1188 CD1 ILE A 75 -2.616 -1.146 -9.560 1.00 0.00 C ATOM 0 H ILE A 75 1.297 1.597 -8.846 1.00 0.00 H new ATOM 0 HA ILE A 75 0.518 -0.647 -7.284 1.00 0.00 H new ATOM 0 HB ILE A 75 -0.701 0.714 -9.064 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -0.898 -2.343 -9.060 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -1.475 -1.339 -7.745 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -0.794 -0.313 -11.289 1.00 0.00 H new ATOM 0 HG22 ILE A 75 0.788 0.425 -10.942 1.00 0.00 H new ATOM 0 HG23 ILE A 75 0.594 -1.342 -10.864 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -3.323 -1.925 -9.275 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -3.027 -0.170 -9.300 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -2.441 -1.191 -10.635 1.00 0.00 H new ATOM 1200 N ILE A 76 2.131 -2.407 -7.683 1.00 0.00 N ATOM 1201 CA ILE A 76 3.155 -3.426 -7.853 1.00 0.00 C ATOM 1202 C ILE A 76 2.563 -4.736 -8.358 1.00 0.00 C ATOM 1203 O ILE A 76 3.174 -5.344 -9.244 1.00 0.00 O ATOM 1204 CB ILE A 76 3.994 -3.590 -6.580 1.00 0.00 C ATOM 1205 CG1 ILE A 76 3.127 -3.769 -5.320 1.00 0.00 C ATOM 1206 CG2 ILE A 76 4.940 -2.391 -6.432 1.00 0.00 C ATOM 1207 CD1 ILE A 76 3.957 -4.096 -4.083 1.00 0.00 C ATOM 0 H ILE A 76 1.592 -2.486 -6.821 1.00 0.00 H new ATOM 0 HA ILE A 76 3.843 -3.090 -8.629 1.00 0.00 H new ATOM 0 HB ILE A 76 4.579 -4.504 -6.680 1.00 0.00 H new ATOM 0 HG12 ILE A 76 2.558 -2.856 -5.141 1.00 0.00 H new ATOM 0 HG13 ILE A 76 2.404 -4.567 -5.490 1.00 0.00 H new ATOM 0 HG21 ILE A 76 5.536 -2.508 -5.527 1.00 0.00 H new ATOM 0 HG22 ILE A 76 5.600 -2.340 -7.298 1.00 0.00 H new ATOM 0 HG23 ILE A 76 4.356 -1.473 -6.366 1.00 0.00 H new ATOM 0 HD11 ILE A 76 3.298 -4.212 -3.223 1.00 0.00 H new ATOM 0 HD12 ILE A 76 4.506 -5.023 -4.248 1.00 0.00 H new ATOM 0 HD13 ILE A 76 4.662 -3.286 -3.893 1.00 0.00 H new ATOM 1219 N GLY A 77 1.416 -5.135 -7.788 1.00 0.00 N ATOM 1220 CA GLY A 77 0.809 -6.455 -7.917 1.00 0.00 C ATOM 1221 C GLY A 77 -0.472 -6.555 -7.093 1.00 0.00 C ATOM 1222 O GLY A 77 -0.430 -6.900 -5.919 1.00 0.00 O ATOM 0 H GLY A 77 0.865 -4.511 -7.198 1.00 0.00 H new ATOM 0 HA2 GLY A 77 0.587 -6.656 -8.965 1.00 0.00 H new ATOM 0 HA3 GLY A 77 1.516 -7.217 -7.589 1.00 0.00 H new ATOM 1226 N GLU A 78 -1.599 -6.211 -7.722 1.00 0.00 N ATOM 1227 CA GLU A 78 -2.944 -6.163 -7.149 1.00 0.00 C ATOM 1228 C GLU A 78 -3.318 -7.416 -6.327 1.00 0.00 C ATOM 1229 O GLU A 78 -2.667 -8.450 -6.401 1.00 0.00 O ATOM 1230 CB GLU A 78 -3.959 -5.864 -8.268 1.00 0.00 C ATOM 1231 CG GLU A 78 -3.805 -6.787 -9.488 1.00 0.00 C ATOM 1232 CD GLU A 78 -4.930 -6.614 -10.508 1.00 0.00 C ATOM 1233 OE1 GLU A 78 -6.057 -6.284 -10.077 1.00 0.00 O ATOM 1234 OE2 GLU A 78 -4.650 -6.830 -11.708 1.00 0.00 O ATOM 0 H GLU A 78 -1.595 -5.942 -8.706 1.00 0.00 H new ATOM 0 HA GLU A 78 -2.967 -5.354 -6.419 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -4.969 -5.964 -7.870 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -3.843 -4.828 -8.587 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -2.849 -6.586 -9.971 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -3.781 -7.824 -9.153 1.00 0.00 H new ATOM 1241 N LEU A 79 -4.359 -7.332 -5.495 1.00 0.00 N ATOM 1242 CA LEU A 79 -4.712 -8.431 -4.605 1.00 0.00 C ATOM 1243 C LEU A 79 -5.062 -9.696 -5.405 1.00 0.00 C ATOM 1244 O LEU A 79 -5.864 -9.619 -6.336 1.00 0.00 O ATOM 1245 CB LEU A 79 -5.883 -7.994 -3.706 1.00 0.00 C ATOM 1246 CG LEU A 79 -5.634 -8.210 -2.210 1.00 0.00 C ATOM 1247 CD1 LEU A 79 -5.307 -9.668 -1.887 1.00 0.00 C ATOM 1248 CD2 LEU A 79 -4.549 -7.276 -1.666 1.00 0.00 C ATOM 0 H LEU A 79 -4.967 -6.517 -5.422 1.00 0.00 H new ATOM 0 HA LEU A 79 -3.856 -8.678 -3.977 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -6.088 -6.938 -3.881 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -6.777 -8.545 -3.998 1.00 0.00 H new ATOM 0 HG LEU A 79 -6.568 -7.961 -1.706 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -5.138 -9.774 -0.815 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -6.140 -10.303 -2.188 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -4.409 -9.968 -2.427 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -4.406 -7.465 -0.602 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -3.614 -7.458 -2.195 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -4.854 -6.240 -1.813 1.00 0.00 H new ATOM 1260 N HIS A 80 -4.472 -10.848 -5.060 1.00 0.00 N ATOM 1261 CA HIS A 80 -4.697 -12.095 -5.784 1.00 0.00 C ATOM 1262 C HIS A 80 -6.194 -12.423 -5.879 1.00 0.00 C ATOM 1263 O HIS A 80 -6.921 -12.223 -4.905 1.00 0.00 O ATOM 1264 CB HIS A 80 -3.911 -13.231 -5.111 1.00 0.00 C ATOM 1265 CG HIS A 80 -3.496 -14.348 -6.033 1.00 0.00 C ATOM 1266 ND1 HIS A 80 -3.970 -15.639 -6.026 1.00 0.00 N ATOM 1267 CD2 HIS A 80 -2.515 -14.276 -6.986 1.00 0.00 C ATOM 1268 CE1 HIS A 80 -3.312 -16.316 -6.984 1.00 0.00 C ATOM 1269 NE2 HIS A 80 -2.421 -15.524 -7.601 1.00 0.00 N ATOM 0 H HIS A 80 -3.829 -10.936 -4.273 1.00 0.00 H new ATOM 0 HA HIS A 80 -4.335 -11.980 -6.806 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -3.018 -12.811 -4.648 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -4.519 -13.649 -4.309 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -1.919 -13.406 -7.220 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -3.478 -17.356 -7.224 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -1.799 -15.783 -8.367 1.00 0.00 H new ATOM 1277 N PRO A 81 -6.674 -12.930 -7.030 1.00 0.00 N ATOM 1278 CA PRO A 81 -8.089 -13.194 -7.231 1.00 0.00 C ATOM 1279 C PRO A 81 -8.627 -14.224 -6.234 1.00 0.00 C ATOM 1280 O PRO A 81 -9.804 -14.172 -5.887 1.00 0.00 O ATOM 1281 CB PRO A 81 -8.258 -13.609 -8.695 1.00 0.00 C ATOM 1282 CG PRO A 81 -6.858 -14.014 -9.150 1.00 0.00 C ATOM 1283 CD PRO A 81 -5.916 -13.246 -8.229 1.00 0.00 C ATOM 0 HA PRO A 81 -8.687 -12.304 -7.036 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -8.961 -14.437 -8.793 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -8.647 -12.788 -9.297 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -6.708 -15.090 -9.062 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -6.690 -13.754 -10.195 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -5.038 -13.845 -7.986 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -5.558 -12.337 -8.712 1.00 0.00 H new