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 49 GLN : amide:sc= 0.466 K(o=1,f=-0.51!) USER MOD Set 1.2: A 57 ASN : amide:sc= 0.535 K(o=1,f=-0.51) USER MOD Set 2.1: A 39 HIS : no HE2:sc= 0.283 K(o=0.38,f=-4.7!) USER MOD Set 2.2: A 63 HIS : no HE2:sc= 0.101 K(o=0.38,f=-1.4) USER MOD Set 3.1: A 15 HIS : no HE2:sc= -0.151 K(o=-0.11,f=-0.69) USER MOD Set 3.2: A 20 SER OG : rot 120:sc= 0.0376 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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= 0.0565 USER MOD Single : A 13 GLN : amide:sc= -0.0135 K(o=-0.014,f=-0.88) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ -107:sc= 1.23 (180deg=-0.783) USER MOD Single : A 21 THR OG1 : rot 110:sc= -0.44 USER MOD Single : A 26 HIS : no HD1:sc= -0.579 K(o=-0.58,f=-2.1) USER MOD Single : A 27 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 28 LYS NZ :NH3+ -161:sc= 1.12 (180deg=0.631) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 87:sc= -0.171 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 THR OG1 : rot 81:sc= 0.349 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0.0491 USER MOD Single : A 71 SER OG : rot 54:sc= 0.57 USER MOD Single : A 72 LYS NZ :NH3+ -123:sc= 0.973 (180deg=-1.45!) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot -107:sc= 1.24 USER MOD Single : A 80 HIS : no HD1:sc= -0.95 X(o=-0.95,f=-0.62) USER MOD ----------------------------------------------------------------- ATOM 65 N LYS A 5 0.996 -7.873 -11.229 1.00 0.00 N ATOM 66 CA LYS A 5 1.793 -8.710 -10.350 1.00 0.00 C ATOM 67 C LYS A 5 0.925 -9.192 -9.189 1.00 0.00 C ATOM 68 O LYS A 5 1.079 -8.763 -8.054 1.00 0.00 O ATOM 69 CB LYS A 5 3.090 -7.979 -9.950 1.00 0.00 C ATOM 70 CG LYS A 5 4.361 -8.830 -10.097 1.00 0.00 C ATOM 71 CD LYS A 5 5.592 -7.906 -10.100 1.00 0.00 C ATOM 72 CE LYS A 5 5.817 -7.216 -11.460 1.00 0.00 C ATOM 73 NZ LYS A 5 6.727 -7.976 -12.340 1.00 0.00 N ATOM 0 HA LYS A 5 2.132 -9.613 -10.859 1.00 0.00 H new ATOM 0 HB2 LYS A 5 3.193 -7.083 -10.562 1.00 0.00 H new ATOM 0 HB3 LYS A 5 3.004 -7.650 -8.915 1.00 0.00 H new ATOM 0 HG2 LYS A 5 4.431 -9.545 -9.278 1.00 0.00 H new ATOM 0 HG3 LYS A 5 4.322 -9.407 -11.021 1.00 0.00 H new ATOM 0 HD2 LYS A 5 5.472 -7.146 -9.328 1.00 0.00 H new ATOM 0 HD3 LYS A 5 6.477 -8.487 -9.841 1.00 0.00 H new ATOM 0 HE2 LYS A 5 4.857 -7.087 -11.961 1.00 0.00 H new ATOM 0 HE3 LYS A 5 6.226 -6.220 -11.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 6.844 -7.468 -13.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 7.653 -8.078 -11.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 6.326 -8.918 -12.523 1.00 0.00 H new ATOM 87 N TYR A 6 -0.052 -10.047 -9.489 1.00 0.00 N ATOM 88 CA TYR A 6 -0.957 -10.564 -8.468 1.00 0.00 C ATOM 89 C TYR A 6 -0.196 -11.155 -7.270 1.00 0.00 C ATOM 90 O TYR A 6 0.709 -11.965 -7.465 1.00 0.00 O ATOM 91 CB TYR A 6 -1.920 -11.591 -9.072 1.00 0.00 C ATOM 92 CG TYR A 6 -2.873 -11.016 -10.102 1.00 0.00 C ATOM 93 CD1 TYR A 6 -3.775 -10.001 -9.732 1.00 0.00 C ATOM 94 CD2 TYR A 6 -2.870 -11.496 -11.425 1.00 0.00 C ATOM 95 CE1 TYR A 6 -4.610 -9.413 -10.696 1.00 0.00 C ATOM 96 CE2 TYR A 6 -3.733 -10.932 -12.381 1.00 0.00 C ATOM 97 CZ TYR A 6 -4.579 -9.868 -12.023 1.00 0.00 C ATOM 98 OH TYR A 6 -5.363 -9.275 -12.965 1.00 0.00 O ATOM 0 H TYR A 6 -0.235 -10.395 -10.430 1.00 0.00 H new ATOM 0 HA TYR A 6 -1.540 -9.724 -8.091 1.00 0.00 H new ATOM 0 HB2 TYR A 6 -1.339 -12.389 -9.535 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -2.501 -12.045 -8.269 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -3.825 -9.673 -8.704 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -2.204 -12.298 -11.706 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -5.276 -8.610 -10.416 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -3.746 -11.316 -13.390 1.00 0.00 H new ATOM 0 HH TYR A 6 -5.219 -9.710 -13.831 1.00 0.00 H new ATOM 108 N TYR A 7 -0.567 -10.753 -6.048 1.00 0.00 N ATOM 109 CA TYR A 7 0.016 -11.215 -4.796 1.00 0.00 C ATOM 110 C TYR A 7 -1.091 -11.691 -3.853 1.00 0.00 C ATOM 111 O TYR A 7 -2.181 -11.115 -3.822 1.00 0.00 O ATOM 112 CB TYR A 7 0.808 -10.082 -4.135 1.00 0.00 C ATOM 113 CG TYR A 7 2.011 -9.592 -4.915 1.00 0.00 C ATOM 114 CD1 TYR A 7 3.068 -10.476 -5.195 1.00 0.00 C ATOM 115 CD2 TYR A 7 2.100 -8.246 -5.318 1.00 0.00 C ATOM 116 CE1 TYR A 7 4.203 -10.022 -5.887 1.00 0.00 C ATOM 117 CE2 TYR A 7 3.221 -7.804 -6.040 1.00 0.00 C ATOM 118 CZ TYR A 7 4.279 -8.685 -6.308 1.00 0.00 C ATOM 119 OH TYR A 7 5.398 -8.234 -6.942 1.00 0.00 O ATOM 0 H TYR A 7 -1.311 -10.070 -5.906 1.00 0.00 H new ATOM 0 HA TYR A 7 0.691 -12.045 -5.005 1.00 0.00 H new ATOM 0 HB2 TYR A 7 0.136 -9.240 -3.969 1.00 0.00 H new ATOM 0 HB3 TYR A 7 1.144 -10.420 -3.155 1.00 0.00 H new ATOM 0 HD1 TYR A 7 3.007 -11.506 -4.877 1.00 0.00 H new ATOM 0 HD2 TYR A 7 1.308 -7.554 -5.072 1.00 0.00 H new ATOM 0 HE1 TYR A 7 5.017 -10.701 -6.095 1.00 0.00 H new ATOM 0 HE2 TYR A 7 3.268 -6.783 -6.390 1.00 0.00 H new ATOM 0 HH TYR A 7 5.287 -7.287 -7.167 1.00 0.00 H new ATOM 129 N THR A 8 -0.810 -12.749 -3.092 1.00 0.00 N ATOM 130 CA THR A 8 -1.713 -13.351 -2.129 1.00 0.00 C ATOM 131 C THR A 8 -1.520 -12.703 -0.755 1.00 0.00 C ATOM 132 O THR A 8 -0.480 -12.107 -0.474 1.00 0.00 O ATOM 133 CB THR A 8 -1.380 -14.848 -2.066 1.00 0.00 C ATOM 134 OG1 THR A 8 0.024 -14.980 -1.946 1.00 0.00 O ATOM 135 CG2 THR A 8 -1.833 -15.575 -3.335 1.00 0.00 C ATOM 0 H THR A 8 0.091 -13.224 -3.137 1.00 0.00 H new ATOM 0 HA THR A 8 -2.752 -13.203 -2.424 1.00 0.00 H new ATOM 0 HB THR A 8 -1.899 -15.289 -1.215 1.00 0.00 H new ATOM 0 HG1 THR A 8 0.261 -15.930 -1.902 1.00 0.00 H new ATOM 0 HG21 THR A 8 -1.582 -16.633 -3.258 1.00 0.00 H new ATOM 0 HG22 THR A 8 -2.911 -15.465 -3.452 1.00 0.00 H new ATOM 0 HG23 THR A 8 -1.329 -15.145 -4.200 1.00 0.00 H new ATOM 143 N LEU A 9 -2.526 -12.825 0.115 1.00 0.00 N ATOM 144 CA LEU A 9 -2.541 -12.196 1.427 1.00 0.00 C ATOM 145 C LEU A 9 -1.329 -12.641 2.246 1.00 0.00 C ATOM 146 O LEU A 9 -0.604 -11.817 2.798 1.00 0.00 O ATOM 147 CB LEU A 9 -3.852 -12.543 2.147 1.00 0.00 C ATOM 148 CG LEU A 9 -5.133 -11.925 1.558 1.00 0.00 C ATOM 149 CD1 LEU A 9 -5.065 -10.398 1.457 1.00 0.00 C ATOM 150 CD2 LEU A 9 -5.532 -12.504 0.198 1.00 0.00 C ATOM 0 H LEU A 9 -3.363 -13.373 -0.081 1.00 0.00 H new ATOM 0 HA LEU A 9 -2.483 -11.114 1.310 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -3.965 -13.627 2.151 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -3.766 -12.228 3.187 1.00 0.00 H new ATOM 0 HG LEU A 9 -5.907 -12.198 2.276 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -5.996 -10.019 1.035 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -4.918 -9.974 2.450 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -4.233 -10.113 0.814 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -6.443 -12.018 -0.151 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -4.731 -12.331 -0.520 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -5.706 -13.576 0.296 1.00 0.00 H new ATOM 162 N GLU A 10 -1.104 -13.954 2.306 1.00 0.00 N ATOM 163 CA GLU A 10 0.043 -14.549 2.972 1.00 0.00 C ATOM 164 C GLU A 10 1.360 -13.918 2.502 1.00 0.00 C ATOM 165 O GLU A 10 2.176 -13.517 3.331 1.00 0.00 O ATOM 166 CB GLU A 10 -0.004 -16.067 2.758 1.00 0.00 C ATOM 167 CG GLU A 10 0.001 -16.476 1.277 1.00 0.00 C ATOM 168 CD GLU A 10 -0.719 -17.799 1.086 1.00 0.00 C ATOM 169 OE1 GLU A 10 -0.057 -18.841 1.267 1.00 0.00 O ATOM 170 OE2 GLU A 10 -1.928 -17.722 0.783 1.00 0.00 O ATOM 0 H GLU A 10 -1.728 -14.642 1.884 1.00 0.00 H new ATOM 0 HA GLU A 10 -0.003 -14.349 4.042 1.00 0.00 H new ATOM 0 HB2 GLU A 10 0.852 -16.523 3.256 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -0.900 -16.466 3.234 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -0.482 -15.703 0.679 1.00 0.00 H new ATOM 0 HG3 GLU A 10 1.028 -16.560 0.921 1.00 0.00 H new ATOM 177 N GLU A 11 1.552 -13.806 1.183 1.00 0.00 N ATOM 178 CA GLU A 11 2.740 -13.207 0.592 1.00 0.00 C ATOM 179 C GLU A 11 2.857 -11.757 1.061 1.00 0.00 C ATOM 180 O GLU A 11 3.854 -11.358 1.656 1.00 0.00 O ATOM 181 CB GLU A 11 2.661 -13.307 -0.941 1.00 0.00 C ATOM 182 CG GLU A 11 3.946 -12.845 -1.645 1.00 0.00 C ATOM 183 CD GLU A 11 5.041 -13.904 -1.588 1.00 0.00 C ATOM 184 OE1 GLU A 11 5.610 -14.083 -0.489 1.00 0.00 O ATOM 185 OE2 GLU A 11 5.272 -14.529 -2.645 1.00 0.00 O ATOM 0 H GLU A 11 0.876 -14.134 0.494 1.00 0.00 H new ATOM 0 HA GLU A 11 3.634 -13.741 0.913 1.00 0.00 H new ATOM 0 HB2 GLU A 11 2.452 -14.340 -1.221 1.00 0.00 H new ATOM 0 HB3 GLU A 11 1.824 -12.705 -1.295 1.00 0.00 H new ATOM 0 HG2 GLU A 11 3.724 -12.609 -2.686 1.00 0.00 H new ATOM 0 HG3 GLU A 11 4.305 -11.927 -1.179 1.00 0.00 H new ATOM 192 N ILE A 12 1.806 -10.968 0.832 1.00 0.00 N ATOM 193 CA ILE A 12 1.730 -9.576 1.248 1.00 0.00 C ATOM 194 C ILE A 12 2.132 -9.429 2.719 1.00 0.00 C ATOM 195 O ILE A 12 2.877 -8.515 3.070 1.00 0.00 O ATOM 196 CB ILE A 12 0.310 -9.059 0.968 1.00 0.00 C ATOM 197 CG1 ILE A 12 0.082 -8.997 -0.554 1.00 0.00 C ATOM 198 CG2 ILE A 12 0.077 -7.679 1.585 1.00 0.00 C ATOM 199 CD1 ILE A 12 -1.399 -9.030 -0.940 1.00 0.00 C ATOM 0 H ILE A 12 0.971 -11.289 0.343 1.00 0.00 H new ATOM 0 HA ILE A 12 2.435 -8.969 0.679 1.00 0.00 H new ATOM 0 HB ILE A 12 -0.399 -9.748 1.426 1.00 0.00 H new ATOM 0 HG12 ILE A 12 0.534 -8.086 -0.946 1.00 0.00 H new ATOM 0 HG13 ILE A 12 0.594 -9.835 -1.027 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -0.938 -7.349 1.365 1.00 0.00 H new ATOM 0 HG22 ILE A 12 0.214 -7.735 2.665 1.00 0.00 H new ATOM 0 HG23 ILE A 12 0.789 -6.968 1.166 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -1.493 -8.983 -2.025 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -1.849 -9.953 -0.576 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -1.910 -8.177 -0.494 1.00 0.00 H new ATOM 211 N GLN A 13 1.664 -10.333 3.584 1.00 0.00 N ATOM 212 CA GLN A 13 1.960 -10.269 5.004 1.00 0.00 C ATOM 213 C GLN A 13 3.467 -10.343 5.305 1.00 0.00 C ATOM 214 O GLN A 13 3.882 -9.864 6.364 1.00 0.00 O ATOM 215 CB GLN A 13 1.181 -11.352 5.773 1.00 0.00 C ATOM 216 CG GLN A 13 0.475 -10.741 6.995 1.00 0.00 C ATOM 217 CD GLN A 13 0.260 -11.719 8.148 1.00 0.00 C ATOM 218 OE1 GLN A 13 0.506 -12.915 8.035 1.00 0.00 O ATOM 219 NE2 GLN A 13 -0.168 -11.200 9.296 1.00 0.00 N ATOM 0 H GLN A 13 1.075 -11.121 3.315 1.00 0.00 H new ATOM 0 HA GLN A 13 1.628 -9.291 5.352 1.00 0.00 H new ATOM 0 HB2 GLN A 13 0.446 -11.816 5.115 1.00 0.00 H new ATOM 0 HB3 GLN A 13 1.863 -12.139 6.095 1.00 0.00 H new ATOM 0 HG2 GLN A 13 1.062 -9.896 7.355 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -0.492 -10.347 6.682 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -0.365 -10.201 9.362 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -0.299 -11.801 10.110 1.00 0.00 H new ATOM 228 N LYS A 14 4.266 -10.934 4.404 1.00 0.00 N ATOM 229 CA LYS A 14 5.712 -11.060 4.548 1.00 0.00 C ATOM 230 C LYS A 14 6.356 -9.683 4.405 1.00 0.00 C ATOM 231 O LYS A 14 7.214 -9.305 5.200 1.00 0.00 O ATOM 232 CB LYS A 14 6.297 -12.009 3.484 1.00 0.00 C ATOM 233 CG LYS A 14 5.709 -13.427 3.478 1.00 0.00 C ATOM 234 CD LYS A 14 6.020 -14.162 4.788 1.00 0.00 C ATOM 235 CE LYS A 14 5.770 -15.669 4.644 1.00 0.00 C ATOM 236 NZ LYS A 14 6.201 -16.410 5.848 1.00 0.00 N ATOM 0 H LYS A 14 3.911 -11.344 3.540 1.00 0.00 H new ATOM 0 HA LYS A 14 5.924 -11.476 5.533 1.00 0.00 H new ATOM 0 HB2 LYS A 14 6.143 -11.565 2.500 1.00 0.00 H new ATOM 0 HB3 LYS A 14 7.374 -12.080 3.637 1.00 0.00 H new ATOM 0 HG2 LYS A 14 4.630 -13.375 3.334 1.00 0.00 H new ATOM 0 HG3 LYS A 14 6.116 -13.989 2.637 1.00 0.00 H new ATOM 0 HD2 LYS A 14 7.058 -13.987 5.070 1.00 0.00 H new ATOM 0 HD3 LYS A 14 5.400 -13.762 5.590 1.00 0.00 H new ATOM 0 HE2 LYS A 14 4.709 -15.847 4.467 1.00 0.00 H new ATOM 0 HE3 LYS A 14 6.306 -16.046 3.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 6.017 -17.425 5.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 7.218 -16.260 6.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 5.671 -16.067 6.675 1.00 0.00 H new ATOM 250 N HIS A 15 5.938 -8.941 3.377 1.00 0.00 N ATOM 251 CA HIS A 15 6.482 -7.641 3.021 1.00 0.00 C ATOM 252 C HIS A 15 6.042 -6.574 4.032 1.00 0.00 C ATOM 253 O HIS A 15 5.206 -5.719 3.731 1.00 0.00 O ATOM 254 CB HIS A 15 6.027 -7.301 1.600 1.00 0.00 C ATOM 255 CG HIS A 15 6.657 -8.163 0.538 1.00 0.00 C ATOM 256 ND1 HIS A 15 7.867 -7.924 -0.076 1.00 0.00 N ATOM 257 CD2 HIS A 15 6.102 -9.268 -0.050 1.00 0.00 C ATOM 258 CE1 HIS A 15 8.032 -8.875 -1.013 1.00 0.00 C ATOM 259 NE2 HIS A 15 6.985 -9.715 -1.035 1.00 0.00 N ATOM 0 H HIS A 15 5.189 -9.243 2.754 1.00 0.00 H new ATOM 0 HA HIS A 15 7.571 -7.667 3.049 1.00 0.00 H new ATOM 0 HB2 HIS A 15 4.943 -7.402 1.541 1.00 0.00 H new ATOM 0 HB3 HIS A 15 6.261 -6.257 1.393 1.00 0.00 H new ATOM 0 HD1 HIS A 15 8.516 -7.167 0.140 1.00 0.00 H new ATOM 0 HD2 HIS A 15 5.151 -9.714 0.203 1.00 0.00 H new ATOM 0 HE1 HIS A 15 8.892 -8.952 -1.661 1.00 0.00 H new ATOM 267 N LYS A 16 6.604 -6.642 5.242 1.00 0.00 N ATOM 268 CA LYS A 16 6.364 -5.700 6.328 1.00 0.00 C ATOM 269 C LYS A 16 7.679 -5.113 6.866 1.00 0.00 C ATOM 270 O LYS A 16 7.673 -4.443 7.906 1.00 0.00 O ATOM 271 CB LYS A 16 5.564 -6.425 7.425 1.00 0.00 C ATOM 272 CG LYS A 16 4.761 -5.438 8.286 1.00 0.00 C ATOM 273 CD LYS A 16 4.118 -6.050 9.540 1.00 0.00 C ATOM 274 CE LYS A 16 2.697 -6.578 9.297 1.00 0.00 C ATOM 275 NZ LYS A 16 2.643 -7.788 8.449 1.00 0.00 N ATOM 0 H LYS A 16 7.260 -7.381 5.497 1.00 0.00 H new ATOM 0 HA LYS A 16 5.787 -4.851 5.961 1.00 0.00 H new ATOM 0 HB2 LYS A 16 4.885 -7.144 6.966 1.00 0.00 H new ATOM 0 HB3 LYS A 16 6.246 -6.991 8.060 1.00 0.00 H new ATOM 0 HG2 LYS A 16 5.420 -4.626 8.593 1.00 0.00 H new ATOM 0 HG3 LYS A 16 3.976 -4.997 7.671 1.00 0.00 H new ATOM 0 HD2 LYS A 16 4.745 -6.866 9.900 1.00 0.00 H new ATOM 0 HD3 LYS A 16 4.089 -5.298 10.329 1.00 0.00 H new ATOM 0 HE2 LYS A 16 2.233 -6.799 10.258 1.00 0.00 H new ATOM 0 HE3 LYS A 16 2.103 -5.792 8.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 2.275 -7.537 7.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 3.599 -8.187 8.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 2.017 -8.493 8.889 1.00 0.00 H new ATOM 334 N SER A 20 10.639 -2.549 3.285 1.00 0.00 N ATOM 335 CA SER A 20 9.574 -3.235 2.538 1.00 0.00 C ATOM 336 C SER A 20 8.194 -2.977 3.164 1.00 0.00 C ATOM 337 O SER A 20 7.570 -3.869 3.734 1.00 0.00 O ATOM 338 CB SER A 20 9.866 -4.736 2.326 1.00 0.00 C ATOM 339 OG SER A 20 9.156 -5.238 1.200 1.00 0.00 O ATOM 0 HA SER A 20 9.554 -2.801 1.538 1.00 0.00 H new ATOM 0 HB2 SER A 20 10.936 -4.885 2.182 1.00 0.00 H new ATOM 0 HB3 SER A 20 9.583 -5.295 3.218 1.00 0.00 H new ATOM 0 HG SER A 20 9.792 -5.584 0.540 1.00 0.00 H new ATOM 345 N THR A 21 7.720 -1.738 3.038 1.00 0.00 N ATOM 346 CA THR A 21 6.426 -1.270 3.449 1.00 0.00 C ATOM 347 C THR A 21 5.488 -1.383 2.255 1.00 0.00 C ATOM 348 O THR A 21 5.354 -0.455 1.453 1.00 0.00 O ATOM 349 CB THR A 21 6.596 0.167 3.947 1.00 0.00 C ATOM 350 OG1 THR A 21 7.431 0.126 5.084 1.00 0.00 O ATOM 351 CG2 THR A 21 5.254 0.790 4.321 1.00 0.00 C ATOM 0 H THR A 21 8.279 -0.996 2.616 1.00 0.00 H new ATOM 0 HA THR A 21 5.995 -1.857 4.260 1.00 0.00 H new ATOM 0 HB THR A 21 7.031 0.778 3.156 1.00 0.00 H new ATOM 0 HG1 THR A 21 8.300 0.523 4.866 1.00 0.00 H new ATOM 0 HG21 THR A 21 5.411 1.810 4.671 1.00 0.00 H new ATOM 0 HG22 THR A 21 4.602 0.802 3.447 1.00 0.00 H new ATOM 0 HG23 THR A 21 4.788 0.203 5.113 1.00 0.00 H new ATOM 359 N TRP A 22 4.850 -2.544 2.140 1.00 0.00 N ATOM 360 CA TRP A 22 3.717 -2.718 1.251 1.00 0.00 C ATOM 361 C TRP A 22 2.446 -2.362 2.001 1.00 0.00 C ATOM 362 O TRP A 22 2.397 -2.471 3.226 1.00 0.00 O ATOM 363 CB TRP A 22 3.657 -4.153 0.768 1.00 0.00 C ATOM 364 CG TRP A 22 4.708 -4.535 -0.221 1.00 0.00 C ATOM 365 CD1 TRP A 22 5.811 -3.834 -0.572 1.00 0.00 C ATOM 366 CD2 TRP A 22 4.696 -5.702 -1.074 1.00 0.00 C ATOM 367 NE1 TRP A 22 6.464 -4.485 -1.593 1.00 0.00 N ATOM 368 CE2 TRP A 22 5.839 -5.674 -1.922 1.00 0.00 C ATOM 369 CE3 TRP A 22 3.786 -6.758 -1.232 1.00 0.00 C ATOM 370 CZ2 TRP A 22 6.080 -6.681 -2.868 1.00 0.00 C ATOM 371 CZ3 TRP A 22 4.014 -7.778 -2.172 1.00 0.00 C ATOM 372 CH2 TRP A 22 5.169 -7.748 -2.976 1.00 0.00 C ATOM 0 H TRP A 22 5.106 -3.384 2.660 1.00 0.00 H new ATOM 0 HA TRP A 22 3.822 -2.066 0.384 1.00 0.00 H new ATOM 0 HB2 TRP A 22 3.736 -4.814 1.631 1.00 0.00 H new ATOM 0 HB3 TRP A 22 2.679 -4.328 0.321 1.00 0.00 H new ATOM 0 HD1 TRP A 22 6.130 -2.906 -0.120 1.00 0.00 H new ATOM 0 HE1 TRP A 22 7.305 -4.134 -2.051 1.00 0.00 H new ATOM 0 HE3 TRP A 22 2.896 -6.788 -0.621 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 6.952 -6.638 -3.504 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 3.303 -8.584 -2.277 1.00 0.00 H new ATOM 0 HH2 TRP A 22 5.357 -8.547 -3.678 1.00 0.00 H new ATOM 383 N VAL A 23 1.419 -1.967 1.257 1.00 0.00 N ATOM 384 CA VAL A 23 0.091 -1.697 1.779 1.00 0.00 C ATOM 385 C VAL A 23 -0.926 -1.952 0.673 1.00 0.00 C ATOM 386 O VAL A 23 -0.597 -1.865 -0.515 1.00 0.00 O ATOM 387 CB VAL A 23 -0.046 -0.254 2.295 1.00 0.00 C ATOM 388 CG1 VAL A 23 0.553 -0.028 3.684 1.00 0.00 C ATOM 389 CG2 VAL A 23 0.581 0.754 1.339 1.00 0.00 C ATOM 0 H VAL A 23 1.492 -1.823 0.250 1.00 0.00 H new ATOM 0 HA VAL A 23 -0.088 -2.358 2.627 1.00 0.00 H new ATOM 0 HB VAL A 23 -1.123 -0.099 2.361 1.00 0.00 H new ATOM 0 HG11 VAL A 23 0.415 1.014 3.975 1.00 0.00 H new ATOM 0 HG12 VAL A 23 0.054 -0.675 4.405 1.00 0.00 H new ATOM 0 HG13 VAL A 23 1.618 -0.261 3.663 1.00 0.00 H new ATOM 0 HG21 VAL A 23 0.462 1.760 1.742 1.00 0.00 H new ATOM 0 HG22 VAL A 23 1.642 0.533 1.222 1.00 0.00 H new ATOM 0 HG23 VAL A 23 0.088 0.691 0.369 1.00 0.00 H new ATOM 399 N ILE A 24 -2.154 -2.280 1.082 1.00 0.00 N ATOM 400 CA ILE A 24 -3.276 -2.558 0.199 1.00 0.00 C ATOM 401 C ILE A 24 -4.293 -1.457 0.423 1.00 0.00 C ATOM 402 O ILE A 24 -4.839 -1.344 1.524 1.00 0.00 O ATOM 403 CB ILE A 24 -3.896 -3.948 0.457 1.00 0.00 C ATOM 404 CG1 ILE A 24 -2.905 -4.898 1.134 1.00 0.00 C ATOM 405 CG2 ILE A 24 -4.460 -4.566 -0.826 1.00 0.00 C ATOM 406 CD1 ILE A 24 -1.637 -5.123 0.305 1.00 0.00 C ATOM 0 H ILE A 24 -2.397 -2.360 2.069 1.00 0.00 H new ATOM 0 HA ILE A 24 -2.937 -2.577 -0.837 1.00 0.00 H new ATOM 0 HB ILE A 24 -4.728 -3.797 1.145 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -2.630 -4.494 2.108 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -3.392 -5.857 1.312 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -4.887 -5.543 -0.602 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -5.235 -3.916 -1.233 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -3.660 -4.679 -1.558 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -0.972 -5.805 0.835 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -1.905 -5.554 -0.660 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -1.131 -4.170 0.149 1.00 0.00 H new ATOM 418 N LEU A 25 -4.484 -0.616 -0.594 1.00 0.00 N ATOM 419 CA LEU A 25 -5.446 0.469 -0.570 1.00 0.00 C ATOM 420 C LEU A 25 -6.545 0.128 -1.576 1.00 0.00 C ATOM 421 O LEU A 25 -6.503 0.570 -2.719 1.00 0.00 O ATOM 422 CB LEU A 25 -4.791 1.827 -0.860 1.00 0.00 C ATOM 423 CG LEU A 25 -3.495 2.118 -0.087 1.00 0.00 C ATOM 424 CD1 LEU A 25 -3.285 3.625 -0.120 1.00 0.00 C ATOM 425 CD2 LEU A 25 -3.504 1.731 1.392 1.00 0.00 C ATOM 0 H LEU A 25 -3.963 -0.677 -1.469 1.00 0.00 H new ATOM 0 HA LEU A 25 -5.874 0.569 0.427 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -4.577 1.887 -1.927 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -5.512 2.613 -0.635 1.00 0.00 H new ATOM 0 HG LEU A 25 -2.720 1.522 -0.569 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -2.372 3.877 0.419 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.199 3.958 -1.154 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -4.134 4.121 0.351 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -2.542 1.980 1.839 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -4.295 2.277 1.906 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -3.682 0.660 1.487 1.00 0.00 H new ATOM 437 N HIS A 26 -7.518 -0.678 -1.146 1.00 0.00 N ATOM 438 CA HIS A 26 -8.670 -1.091 -1.946 1.00 0.00 C ATOM 439 C HIS A 26 -8.259 -2.055 -3.068 1.00 0.00 C ATOM 440 O HIS A 26 -8.247 -1.694 -4.243 1.00 0.00 O ATOM 441 CB HIS A 26 -9.464 0.109 -2.498 1.00 0.00 C ATOM 442 CG HIS A 26 -9.839 1.144 -1.470 1.00 0.00 C ATOM 443 ND1 HIS A 26 -11.054 1.252 -0.831 1.00 0.00 N ATOM 444 CD2 HIS A 26 -9.086 2.233 -1.123 1.00 0.00 C ATOM 445 CE1 HIS A 26 -11.026 2.382 -0.107 1.00 0.00 C ATOM 446 NE2 HIS A 26 -9.847 3.007 -0.256 1.00 0.00 N ATOM 0 H HIS A 26 -7.525 -1.072 -0.205 1.00 0.00 H new ATOM 0 HA HIS A 26 -9.340 -1.628 -1.274 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -8.874 0.589 -3.278 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -10.374 -0.261 -2.969 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -8.084 2.451 -1.461 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -11.838 2.739 0.509 1.00 0.00 H new ATOM 0 HE2 HIS A 26 -9.564 3.883 0.184 1.00 0.00 H new ATOM 454 N HIS A 27 -7.973 -3.309 -2.699 1.00 0.00 N ATOM 455 CA HIS A 27 -7.752 -4.416 -3.629 1.00 0.00 C ATOM 456 C HIS A 27 -6.686 -4.120 -4.691 1.00 0.00 C ATOM 457 O HIS A 27 -6.866 -4.460 -5.856 1.00 0.00 O ATOM 458 CB HIS A 27 -9.083 -4.856 -4.269 1.00 0.00 C ATOM 459 CG HIS A 27 -9.949 -5.686 -3.363 1.00 0.00 C ATOM 460 ND1 HIS A 27 -9.699 -6.992 -3.004 1.00 0.00 N ATOM 461 CD2 HIS A 27 -11.196 -5.358 -2.902 1.00 0.00 C ATOM 462 CE1 HIS A 27 -10.771 -7.436 -2.329 1.00 0.00 C ATOM 463 NE2 HIS A 27 -11.708 -6.477 -2.240 1.00 0.00 N ATOM 0 H HIS A 27 -7.887 -3.586 -1.721 1.00 0.00 H new ATOM 0 HA HIS A 27 -7.354 -5.243 -3.041 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -9.639 -3.969 -4.575 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -8.869 -5.426 -5.173 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -11.693 -4.407 -3.027 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -10.867 -8.428 -1.914 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -12.615 -6.551 -1.780 1.00 0.00 H new ATOM 471 N LYS A 28 -5.548 -3.557 -4.282 1.00 0.00 N ATOM 472 CA LYS A 28 -4.392 -3.291 -5.129 1.00 0.00 C ATOM 473 C LYS A 28 -3.185 -3.221 -4.207 1.00 0.00 C ATOM 474 O LYS A 28 -3.330 -2.690 -3.109 1.00 0.00 O ATOM 475 CB LYS A 28 -4.583 -1.960 -5.863 1.00 0.00 C ATOM 476 CG LYS A 28 -5.187 -2.164 -7.258 1.00 0.00 C ATOM 477 CD LYS A 28 -6.224 -1.083 -7.572 1.00 0.00 C ATOM 478 CE LYS A 28 -6.860 -1.321 -8.948 1.00 0.00 C ATOM 479 NZ LYS A 28 -5.866 -1.288 -10.039 1.00 0.00 N ATOM 0 H LYS A 28 -5.404 -3.264 -3.316 1.00 0.00 H new ATOM 0 HA LYS A 28 -4.260 -4.069 -5.881 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -5.233 -1.311 -5.276 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -3.622 -1.453 -5.953 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -4.396 -2.142 -8.007 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -5.653 -3.148 -7.316 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -6.998 -1.081 -6.804 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -5.751 -0.101 -7.550 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -7.366 -2.287 -8.950 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -7.621 -0.562 -9.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -6.351 -1.130 -10.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -5.189 -0.517 -9.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -5.357 -2.194 -10.072 1.00 0.00 H new ATOM 493 N VAL A 29 -2.034 -3.768 -4.616 1.00 0.00 N ATOM 494 CA VAL A 29 -0.848 -3.814 -3.772 1.00 0.00 C ATOM 495 C VAL A 29 0.106 -2.706 -4.207 1.00 0.00 C ATOM 496 O VAL A 29 0.589 -2.686 -5.346 1.00 0.00 O ATOM 497 CB VAL A 29 -0.195 -5.203 -3.796 1.00 0.00 C ATOM 498 CG1 VAL A 29 0.979 -5.259 -2.807 1.00 0.00 C ATOM 499 CG2 VAL A 29 -1.220 -6.265 -3.384 1.00 0.00 C ATOM 0 H VAL A 29 -1.905 -4.187 -5.537 1.00 0.00 H new ATOM 0 HA VAL A 29 -1.127 -3.641 -2.733 1.00 0.00 H new ATOM 0 HB VAL A 29 0.164 -5.394 -4.807 1.00 0.00 H new ATOM 0 HG11 VAL A 29 1.432 -6.250 -2.835 1.00 0.00 H new ATOM 0 HG12 VAL A 29 1.723 -4.512 -3.083 1.00 0.00 H new ATOM 0 HG13 VAL A 29 0.616 -5.055 -1.800 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -0.752 -7.249 -3.403 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -1.579 -6.053 -2.377 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -2.059 -6.249 -4.079 1.00 0.00 H new ATOM 509 N TYR A 30 0.350 -1.776 -3.285 1.00 0.00 N ATOM 510 CA TYR A 30 1.202 -0.626 -3.496 1.00 0.00 C ATOM 511 C TYR A 30 2.506 -0.867 -2.746 1.00 0.00 C ATOM 512 O TYR A 30 2.467 -1.183 -1.554 1.00 0.00 O ATOM 513 CB TYR A 30 0.482 0.621 -2.977 1.00 0.00 C ATOM 514 CG TYR A 30 -0.873 0.842 -3.619 1.00 0.00 C ATOM 515 CD1 TYR A 30 -0.957 1.547 -4.829 1.00 0.00 C ATOM 516 CD2 TYR A 30 -2.026 0.245 -3.079 1.00 0.00 C ATOM 517 CE1 TYR A 30 -2.202 1.722 -5.455 1.00 0.00 C ATOM 518 CE2 TYR A 30 -3.261 0.385 -3.735 1.00 0.00 C ATOM 519 CZ TYR A 30 -3.359 1.167 -4.893 1.00 0.00 C ATOM 520 OH TYR A 30 -4.569 1.373 -5.484 1.00 0.00 O ATOM 0 H TYR A 30 -0.054 -1.810 -2.349 1.00 0.00 H new ATOM 0 HA TYR A 30 1.422 -0.476 -4.553 1.00 0.00 H new ATOM 0 HB2 TYR A 30 0.355 0.536 -1.898 1.00 0.00 H new ATOM 0 HB3 TYR A 30 1.108 1.495 -3.157 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -0.064 1.955 -5.279 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -1.963 -0.321 -2.161 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -2.268 2.287 -6.373 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -4.137 -0.112 -3.345 1.00 0.00 H new ATOM 0 HH TYR A 30 -5.267 0.918 -4.968 1.00 0.00 H new ATOM 530 N ASP A 31 3.640 -0.719 -3.438 1.00 0.00 N ATOM 531 CA ASP A 31 4.942 -0.682 -2.785 1.00 0.00 C ATOM 532 C ASP A 31 5.265 0.777 -2.556 1.00 0.00 C ATOM 533 O ASP A 31 5.208 1.572 -3.494 1.00 0.00 O ATOM 534 CB ASP A 31 6.035 -1.306 -3.646 1.00 0.00 C ATOM 535 CG ASP A 31 7.364 -1.365 -2.905 1.00 0.00 C ATOM 536 OD1 ASP A 31 7.857 -0.274 -2.543 1.00 0.00 O ATOM 537 OD2 ASP A 31 7.851 -2.500 -2.702 1.00 0.00 O ATOM 0 H ASP A 31 3.677 -0.623 -4.453 1.00 0.00 H new ATOM 0 HA ASP A 31 4.902 -1.253 -1.858 1.00 0.00 H new ATOM 0 HB2 ASP A 31 5.737 -2.312 -3.941 1.00 0.00 H new ATOM 0 HB3 ASP A 31 6.153 -0.727 -4.562 1.00 0.00 H new ATOM 542 N LEU A 32 5.562 1.132 -1.309 1.00 0.00 N ATOM 543 CA LEU A 32 5.869 2.504 -0.966 1.00 0.00 C ATOM 544 C LEU A 32 7.246 2.577 -0.302 1.00 0.00 C ATOM 545 O LEU A 32 7.556 3.552 0.383 1.00 0.00 O ATOM 546 CB LEU A 32 4.709 3.028 -0.113 1.00 0.00 C ATOM 547 CG LEU A 32 3.344 2.873 -0.830 1.00 0.00 C ATOM 548 CD1 LEU A 32 2.244 3.154 0.170 1.00 0.00 C ATOM 549 CD2 LEU A 32 3.140 3.799 -2.040 1.00 0.00 C ATOM 0 H LEU A 32 5.595 0.482 -0.523 1.00 0.00 H new ATOM 0 HA LEU A 32 5.950 3.151 -1.839 1.00 0.00 H new ATOM 0 HB2 LEU A 32 4.684 2.490 0.834 1.00 0.00 H new ATOM 0 HB3 LEU A 32 4.878 4.079 0.122 1.00 0.00 H new ATOM 0 HG LEU A 32 3.320 1.854 -1.216 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.274 3.050 -0.317 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.313 2.446 0.996 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.351 4.169 0.552 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.157 3.618 -2.475 1.00 0.00 H new ATOM 0 HD22 LEU A 32 3.208 4.838 -1.718 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.910 3.598 -2.785 1.00 0.00 H new ATOM 561 N THR A 33 8.107 1.586 -0.556 1.00 0.00 N ATOM 562 CA THR A 33 9.431 1.483 0.036 1.00 0.00 C ATOM 563 C THR A 33 10.274 2.724 -0.239 1.00 0.00 C ATOM 564 O THR A 33 10.929 3.243 0.663 1.00 0.00 O ATOM 565 CB THR A 33 10.089 0.192 -0.476 1.00 0.00 C ATOM 566 OG1 THR A 33 9.367 -0.882 0.072 1.00 0.00 O ATOM 567 CG2 THR A 33 11.552 0.060 -0.054 1.00 0.00 C ATOM 0 H THR A 33 7.891 0.820 -1.194 1.00 0.00 H new ATOM 0 HA THR A 33 9.348 1.431 1.122 1.00 0.00 H new ATOM 0 HB THR A 33 10.072 0.203 -1.566 1.00 0.00 H new ATOM 0 HG1 THR A 33 8.611 -1.100 -0.512 1.00 0.00 H new ATOM 0 HG21 THR A 33 11.961 -0.871 -0.446 1.00 0.00 H new ATOM 0 HG22 THR A 33 12.122 0.901 -0.449 1.00 0.00 H new ATOM 0 HG23 THR A 33 11.618 0.056 1.034 1.00 0.00 H new ATOM 575 N LYS A 34 10.249 3.212 -1.480 1.00 0.00 N ATOM 576 CA LYS A 34 10.944 4.431 -1.873 1.00 0.00 C ATOM 577 C LYS A 34 10.000 5.637 -1.875 1.00 0.00 C ATOM 578 O LYS A 34 10.336 6.659 -2.462 1.00 0.00 O ATOM 579 CB LYS A 34 11.619 4.193 -3.233 1.00 0.00 C ATOM 580 CG LYS A 34 12.852 3.286 -3.056 1.00 0.00 C ATOM 581 CD LYS A 34 14.160 4.016 -3.416 1.00 0.00 C ATOM 582 CE LYS A 34 14.594 3.742 -4.863 1.00 0.00 C ATOM 583 NZ LYS A 34 15.362 2.483 -4.979 1.00 0.00 N ATOM 0 H LYS A 34 9.741 2.766 -2.244 1.00 0.00 H new ATOM 0 HA LYS A 34 11.718 4.672 -1.144 1.00 0.00 H new ATOM 0 HB2 LYS A 34 10.913 3.731 -3.923 1.00 0.00 H new ATOM 0 HB3 LYS A 34 11.917 5.145 -3.672 1.00 0.00 H new ATOM 0 HG2 LYS A 34 12.902 2.939 -2.024 1.00 0.00 H new ATOM 0 HG3 LYS A 34 12.745 2.402 -3.684 1.00 0.00 H new ATOM 0 HD2 LYS A 34 14.027 5.089 -3.275 1.00 0.00 H new ATOM 0 HD3 LYS A 34 14.950 3.700 -2.735 1.00 0.00 H new ATOM 0 HE2 LYS A 34 13.713 3.690 -5.503 1.00 0.00 H new ATOM 0 HE3 LYS A 34 15.201 4.572 -5.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 15.637 2.334 -5.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 16.216 2.542 -4.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 14.774 1.687 -4.659 1.00 0.00 H new ATOM 597 N PHE A 35 8.848 5.536 -1.201 1.00 0.00 N ATOM 598 CA PHE A 35 7.897 6.633 -1.067 1.00 0.00 C ATOM 599 C PHE A 35 7.745 7.065 0.394 1.00 0.00 C ATOM 600 O PHE A 35 7.104 8.073 0.663 1.00 0.00 O ATOM 601 CB PHE A 35 6.559 6.225 -1.690 1.00 0.00 C ATOM 602 CG PHE A 35 5.473 7.284 -1.657 1.00 0.00 C ATOM 603 CD1 PHE A 35 5.666 8.524 -2.293 1.00 0.00 C ATOM 604 CD2 PHE A 35 4.272 7.039 -0.970 1.00 0.00 C ATOM 605 CE1 PHE A 35 4.621 9.463 -2.337 1.00 0.00 C ATOM 606 CE2 PHE A 35 3.212 7.954 -1.052 1.00 0.00 C ATOM 607 CZ PHE A 35 3.385 9.169 -1.734 1.00 0.00 C ATOM 0 H PHE A 35 8.552 4.680 -0.731 1.00 0.00 H new ATOM 0 HA PHE A 35 8.276 7.502 -1.605 1.00 0.00 H new ATOM 0 HB2 PHE A 35 6.733 5.940 -2.728 1.00 0.00 H new ATOM 0 HB3 PHE A 35 6.193 5.338 -1.173 1.00 0.00 H new ATOM 0 HD1 PHE A 35 6.618 8.755 -2.748 1.00 0.00 H new ATOM 0 HD2 PHE A 35 4.165 6.143 -0.377 1.00 0.00 H new ATOM 0 HE1 PHE A 35 4.767 10.411 -2.834 1.00 0.00 H new ATOM 0 HE2 PHE A 35 2.263 7.724 -0.591 1.00 0.00 H new ATOM 0 HZ PHE A 35 2.571 9.876 -1.795 1.00 0.00 H new ATOM 617 N LEU A 36 8.340 6.331 1.342 1.00 0.00 N ATOM 618 CA LEU A 36 8.194 6.570 2.768 1.00 0.00 C ATOM 619 C LEU A 36 8.389 8.052 3.119 1.00 0.00 C ATOM 620 O LEU A 36 7.434 8.724 3.496 1.00 0.00 O ATOM 621 CB LEU A 36 9.172 5.662 3.533 1.00 0.00 C ATOM 622 CG LEU A 36 8.770 4.179 3.641 1.00 0.00 C ATOM 623 CD1 LEU A 36 9.699 3.448 4.623 1.00 0.00 C ATOM 624 CD2 LEU A 36 7.323 3.978 4.107 1.00 0.00 C ATOM 0 H LEU A 36 8.947 5.540 1.126 1.00 0.00 H new ATOM 0 HA LEU A 36 7.176 6.322 3.069 1.00 0.00 H new ATOM 0 HB2 LEU A 36 10.146 5.720 3.048 1.00 0.00 H new ATOM 0 HB3 LEU A 36 9.294 6.060 4.541 1.00 0.00 H new ATOM 0 HG LEU A 36 8.860 3.769 2.635 1.00 0.00 H new ATOM 0 HD11 LEU A 36 9.405 2.401 4.691 1.00 0.00 H new ATOM 0 HD12 LEU A 36 10.728 3.514 4.268 1.00 0.00 H new ATOM 0 HD13 LEU A 36 9.624 3.910 5.607 1.00 0.00 H new ATOM 0 HD21 LEU A 36 7.103 2.912 4.162 1.00 0.00 H new ATOM 0 HD22 LEU A 36 7.192 4.427 5.092 1.00 0.00 H new ATOM 0 HD23 LEU A 36 6.643 4.452 3.399 1.00 0.00 H new ATOM 636 N GLU A 37 9.613 8.575 2.996 1.00 0.00 N ATOM 637 CA GLU A 37 9.857 9.982 3.299 1.00 0.00 C ATOM 638 C GLU A 37 9.154 10.901 2.293 1.00 0.00 C ATOM 639 O GLU A 37 8.614 11.931 2.684 1.00 0.00 O ATOM 640 CB GLU A 37 11.363 10.288 3.383 1.00 0.00 C ATOM 641 CG GLU A 37 11.774 10.662 4.814 1.00 0.00 C ATOM 642 CD GLU A 37 13.177 11.255 4.842 1.00 0.00 C ATOM 643 OE1 GLU A 37 13.312 12.401 4.363 1.00 0.00 O ATOM 644 OE2 GLU A 37 14.087 10.545 5.320 1.00 0.00 O ATOM 0 H GLU A 37 10.435 8.053 2.694 1.00 0.00 H new ATOM 0 HA GLU A 37 9.429 10.183 4.281 1.00 0.00 H new ATOM 0 HB2 GLU A 37 11.932 9.419 3.054 1.00 0.00 H new ATOM 0 HB3 GLU A 37 11.609 11.106 2.706 1.00 0.00 H new ATOM 0 HG2 GLU A 37 11.064 11.380 5.224 1.00 0.00 H new ATOM 0 HG3 GLU A 37 11.736 9.777 5.450 1.00 0.00 H new ATOM 651 N GLU A 38 9.177 10.545 1.000 1.00 0.00 N ATOM 652 CA GLU A 38 8.574 11.363 -0.047 1.00 0.00 C ATOM 653 C GLU A 38 7.112 11.702 0.255 1.00 0.00 C ATOM 654 O GLU A 38 6.671 12.809 -0.047 1.00 0.00 O ATOM 655 CB GLU A 38 8.640 10.649 -1.403 1.00 0.00 C ATOM 656 CG GLU A 38 9.868 10.993 -2.254 1.00 0.00 C ATOM 657 CD GLU A 38 9.565 10.789 -3.740 1.00 0.00 C ATOM 658 OE1 GLU A 38 8.782 9.861 -4.050 1.00 0.00 O ATOM 659 OE2 GLU A 38 10.099 11.591 -4.536 1.00 0.00 O ATOM 0 H GLU A 38 9.612 9.688 0.659 1.00 0.00 H new ATOM 0 HA GLU A 38 9.148 12.289 -0.082 1.00 0.00 H new ATOM 0 HB2 GLU A 38 8.625 9.573 -1.232 1.00 0.00 H new ATOM 0 HB3 GLU A 38 7.742 10.894 -1.971 1.00 0.00 H new ATOM 0 HG2 GLU A 38 10.163 12.027 -2.076 1.00 0.00 H new ATOM 0 HG3 GLU A 38 10.709 10.366 -1.959 1.00 0.00 H new ATOM 666 N HIS A 39 6.354 10.732 0.775 1.00 0.00 N ATOM 667 CA HIS A 39 4.931 10.860 1.030 1.00 0.00 C ATOM 668 C HIS A 39 4.622 12.190 1.727 1.00 0.00 C ATOM 669 O HIS A 39 5.026 12.367 2.879 1.00 0.00 O ATOM 670 CB HIS A 39 4.458 9.671 1.871 1.00 0.00 C ATOM 671 CG HIS A 39 3.035 9.783 2.356 1.00 0.00 C ATOM 672 ND1 HIS A 39 2.664 9.828 3.674 1.00 0.00 N ATOM 673 CD2 HIS A 39 1.887 9.780 1.607 1.00 0.00 C ATOM 674 CE1 HIS A 39 1.325 9.833 3.721 1.00 0.00 C ATOM 675 NE2 HIS A 39 0.798 9.784 2.484 1.00 0.00 N ATOM 0 H HIS A 39 6.729 9.819 1.033 1.00 0.00 H new ATOM 0 HA HIS A 39 4.393 10.857 0.082 1.00 0.00 H new ATOM 0 HB2 HIS A 39 4.558 8.760 1.280 1.00 0.00 H new ATOM 0 HB3 HIS A 39 5.116 9.566 2.733 1.00 0.00 H new ATOM 0 HD1 HIS A 39 3.294 9.853 4.476 1.00 0.00 H new ATOM 0 HD2 HIS A 39 1.833 9.775 0.528 1.00 0.00 H new ATOM 0 HE1 HIS A 39 0.745 9.871 4.631 1.00 0.00 H new ATOM 683 N PRO A 40 3.909 13.121 1.064 1.00 0.00 N ATOM 684 CA PRO A 40 3.593 14.428 1.619 1.00 0.00 C ATOM 685 C PRO A 40 2.576 14.256 2.748 1.00 0.00 C ATOM 686 O PRO A 40 1.377 14.447 2.571 1.00 0.00 O ATOM 687 CB PRO A 40 3.070 15.271 0.451 1.00 0.00 C ATOM 688 CG PRO A 40 2.539 14.237 -0.536 1.00 0.00 C ATOM 689 CD PRO A 40 3.391 12.996 -0.290 1.00 0.00 C ATOM 0 HA PRO A 40 4.453 14.930 2.061 1.00 0.00 H new ATOM 0 HB2 PRO A 40 2.286 15.957 0.772 1.00 0.00 H new ATOM 0 HB3 PRO A 40 3.861 15.876 0.009 1.00 0.00 H new ATOM 0 HG2 PRO A 40 1.482 14.032 -0.365 1.00 0.00 H new ATOM 0 HG3 PRO A 40 2.634 14.585 -1.564 1.00 0.00 H new ATOM 0 HD2 PRO A 40 2.797 12.088 -0.397 1.00 0.00 H new ATOM 0 HD3 PRO A 40 4.204 12.932 -1.013 1.00 0.00 H new ATOM 697 N GLY A 41 3.085 13.852 3.909 1.00 0.00 N ATOM 698 CA GLY A 41 2.303 13.411 5.044 1.00 0.00 C ATOM 699 C GLY A 41 3.191 12.654 6.027 1.00 0.00 C ATOM 700 O GLY A 41 3.000 12.781 7.234 1.00 0.00 O ATOM 0 H GLY A 41 4.089 13.824 4.084 1.00 0.00 H new ATOM 0 HA2 GLY A 41 1.848 14.269 5.539 1.00 0.00 H new ATOM 0 HA3 GLY A 41 1.489 12.769 4.708 1.00 0.00 H new ATOM 704 N GLY A 42 4.178 11.894 5.529 1.00 0.00 N ATOM 705 CA GLY A 42 5.169 11.263 6.387 1.00 0.00 C ATOM 706 C GLY A 42 5.462 9.814 6.070 1.00 0.00 C ATOM 707 O GLY A 42 4.653 9.130 5.445 1.00 0.00 O ATOM 0 H GLY A 42 4.304 11.707 4.534 1.00 0.00 H new ATOM 0 HA2 GLY A 42 6.098 11.829 6.320 1.00 0.00 H new ATOM 0 HA3 GLY A 42 4.829 11.331 7.420 1.00 0.00 H new ATOM 711 N GLU A 43 6.577 9.332 6.620 1.00 0.00 N ATOM 712 CA GLU A 43 6.923 7.928 6.584 1.00 0.00 C ATOM 713 C GLU A 43 6.145 7.173 7.672 1.00 0.00 C ATOM 714 O GLU A 43 5.656 6.073 7.429 1.00 0.00 O ATOM 715 CB GLU A 43 8.450 7.795 6.774 1.00 0.00 C ATOM 716 CG GLU A 43 8.963 6.365 7.043 1.00 0.00 C ATOM 717 CD GLU A 43 9.024 5.944 8.508 1.00 0.00 C ATOM 718 OE1 GLU A 43 8.848 6.826 9.373 1.00 0.00 O ATOM 719 OE2 GLU A 43 9.273 4.738 8.725 1.00 0.00 O ATOM 0 H GLU A 43 7.262 9.914 7.102 1.00 0.00 H new ATOM 0 HA GLU A 43 6.651 7.488 5.625 1.00 0.00 H new ATOM 0 HB2 GLU A 43 8.944 8.178 5.881 1.00 0.00 H new ATOM 0 HB3 GLU A 43 8.752 8.433 7.604 1.00 0.00 H new ATOM 0 HG2 GLU A 43 8.322 5.663 6.510 1.00 0.00 H new ATOM 0 HG3 GLU A 43 9.962 6.272 6.616 1.00 0.00 H new ATOM 726 N GLU A 44 6.024 7.740 8.878 1.00 0.00 N ATOM 727 CA GLU A 44 5.605 6.984 10.052 1.00 0.00 C ATOM 728 C GLU A 44 4.219 6.376 9.845 1.00 0.00 C ATOM 729 O GLU A 44 4.066 5.160 9.909 1.00 0.00 O ATOM 730 CB GLU A 44 5.692 7.846 11.320 1.00 0.00 C ATOM 731 CG GLU A 44 5.671 6.968 12.579 1.00 0.00 C ATOM 732 CD GLU A 44 5.649 7.814 13.845 1.00 0.00 C ATOM 733 OE1 GLU A 44 6.751 8.202 14.289 1.00 0.00 O ATOM 734 OE2 GLU A 44 4.529 8.074 14.330 1.00 0.00 O ATOM 0 H GLU A 44 6.213 8.725 9.061 1.00 0.00 H new ATOM 0 HA GLU A 44 6.293 6.151 10.193 1.00 0.00 H new ATOM 0 HB2 GLU A 44 6.606 8.439 11.300 1.00 0.00 H new ATOM 0 HB3 GLU A 44 4.858 8.547 11.346 1.00 0.00 H new ATOM 0 HG2 GLU A 44 4.795 6.319 12.558 1.00 0.00 H new ATOM 0 HG3 GLU A 44 6.548 6.320 12.587 1.00 0.00 H new ATOM 741 N VAL A 45 3.207 7.194 9.531 1.00 0.00 N ATOM 742 CA VAL A 45 1.872 6.716 9.266 1.00 0.00 C ATOM 743 C VAL A 45 1.870 5.632 8.172 1.00 0.00 C ATOM 744 O VAL A 45 1.105 4.677 8.252 1.00 0.00 O ATOM 745 CB VAL A 45 0.992 7.949 8.984 1.00 0.00 C ATOM 746 CG1 VAL A 45 1.320 8.643 7.651 1.00 0.00 C ATOM 747 CG2 VAL A 45 -0.477 7.626 9.097 1.00 0.00 C ATOM 0 H VAL A 45 3.306 8.207 9.457 1.00 0.00 H new ATOM 0 HA VAL A 45 1.445 6.198 10.125 1.00 0.00 H new ATOM 0 HB VAL A 45 1.235 8.671 9.764 1.00 0.00 H new ATOM 0 HG11 VAL A 45 0.663 9.502 7.517 1.00 0.00 H new ATOM 0 HG12 VAL A 45 2.357 8.977 7.661 1.00 0.00 H new ATOM 0 HG13 VAL A 45 1.172 7.942 6.830 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -1.063 8.521 8.891 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -0.735 6.850 8.377 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -0.695 7.273 10.105 1.00 0.00 H new ATOM 757 N LEU A 46 2.768 5.712 7.183 1.00 0.00 N ATOM 758 CA LEU A 46 2.938 4.646 6.201 1.00 0.00 C ATOM 759 C LEU A 46 3.484 3.376 6.857 1.00 0.00 C ATOM 760 O LEU A 46 2.963 2.283 6.637 1.00 0.00 O ATOM 761 CB LEU A 46 3.856 5.120 5.056 1.00 0.00 C ATOM 762 CG LEU A 46 3.108 5.700 3.856 1.00 0.00 C ATOM 763 CD1 LEU A 46 2.485 4.574 3.042 1.00 0.00 C ATOM 764 CD2 LEU A 46 2.043 6.719 4.254 1.00 0.00 C ATOM 0 H LEU A 46 3.389 6.510 7.045 1.00 0.00 H new ATOM 0 HA LEU A 46 1.962 4.403 5.781 1.00 0.00 H new ATOM 0 HB2 LEU A 46 4.541 5.874 5.443 1.00 0.00 H new ATOM 0 HB3 LEU A 46 4.464 4.280 4.720 1.00 0.00 H new ATOM 0 HG LEU A 46 3.839 6.235 3.250 1.00 0.00 H new ATOM 0 HD11 LEU A 46 1.953 4.994 2.188 1.00 0.00 H new ATOM 0 HD12 LEU A 46 3.269 3.904 2.688 1.00 0.00 H new ATOM 0 HD13 LEU A 46 1.786 4.017 3.666 1.00 0.00 H new ATOM 0 HD21 LEU A 46 1.547 7.095 3.359 1.00 0.00 H new ATOM 0 HD22 LEU A 46 1.309 6.243 4.904 1.00 0.00 H new ATOM 0 HD23 LEU A 46 2.512 7.548 4.784 1.00 0.00 H new ATOM 776 N ARG A 47 4.553 3.512 7.641 1.00 0.00 N ATOM 777 CA ARG A 47 5.285 2.393 8.221 1.00 0.00 C ATOM 778 C ARG A 47 4.641 1.873 9.517 1.00 0.00 C ATOM 779 O ARG A 47 5.111 0.887 10.093 1.00 0.00 O ATOM 780 CB ARG A 47 6.763 2.805 8.381 1.00 0.00 C ATOM 781 CG ARG A 47 7.766 1.772 7.838 1.00 0.00 C ATOM 782 CD ARG A 47 8.539 1.065 8.944 1.00 0.00 C ATOM 783 NE ARG A 47 7.628 0.224 9.723 1.00 0.00 N ATOM 784 CZ ARG A 47 7.337 -1.074 9.546 1.00 0.00 C ATOM 785 NH1 ARG A 47 7.919 -1.801 8.584 1.00 0.00 N ATOM 786 NH2 ARG A 47 6.422 -1.627 10.347 1.00 0.00 N ATOM 0 H ARG A 47 4.940 4.421 7.894 1.00 0.00 H new ATOM 0 HA ARG A 47 5.239 1.537 7.547 1.00 0.00 H new ATOM 0 HB2 ARG A 47 6.922 3.754 7.869 1.00 0.00 H new ATOM 0 HB3 ARG A 47 6.969 2.975 9.438 1.00 0.00 H new ATOM 0 HG2 ARG A 47 7.232 1.031 7.243 1.00 0.00 H new ATOM 0 HG3 ARG A 47 8.469 2.270 7.170 1.00 0.00 H new ATOM 0 HD2 ARG A 47 9.333 0.455 8.513 1.00 0.00 H new ATOM 0 HD3 ARG A 47 9.017 1.799 9.593 1.00 0.00 H new ATOM 0 HE ARG A 47 7.154 0.684 10.500 1.00 0.00 H new ATOM 0 HH11 ARG A 47 8.603 -1.370 7.962 1.00 0.00 H new ATOM 0 HH12 ARG A 47 7.678 -2.786 8.473 1.00 0.00 H new ATOM 0 HH21 ARG A 47 5.968 -1.065 11.067 1.00 0.00 H new ATOM 0 HH22 ARG A 47 6.178 -2.611 10.239 1.00 0.00 H new ATOM 800 N GLU A 48 3.556 2.505 9.967 1.00 0.00 N ATOM 801 CA GLU A 48 2.777 2.114 11.127 1.00 0.00 C ATOM 802 C GLU A 48 2.292 0.674 10.998 1.00 0.00 C ATOM 803 O GLU A 48 2.693 -0.203 11.760 1.00 0.00 O ATOM 804 CB GLU A 48 1.609 3.106 11.294 1.00 0.00 C ATOM 805 CG GLU A 48 1.797 4.062 12.476 1.00 0.00 C ATOM 806 CD GLU A 48 1.361 3.405 13.778 1.00 0.00 C ATOM 807 OE1 GLU A 48 2.154 2.597 14.305 1.00 0.00 O ATOM 808 OE2 GLU A 48 0.217 3.688 14.194 1.00 0.00 O ATOM 0 H GLU A 48 3.186 3.338 9.509 1.00 0.00 H new ATOM 0 HA GLU A 48 3.399 2.150 12.022 1.00 0.00 H new ATOM 0 HB2 GLU A 48 1.500 3.687 10.378 1.00 0.00 H new ATOM 0 HB3 GLU A 48 0.683 2.548 11.430 1.00 0.00 H new ATOM 0 HG2 GLU A 48 2.843 4.359 12.546 1.00 0.00 H new ATOM 0 HG3 GLU A 48 1.218 4.971 12.310 1.00 0.00 H new ATOM 815 N GLN A 49 1.420 0.429 10.019 1.00 0.00 N ATOM 816 CA GLN A 49 0.818 -0.879 9.840 1.00 0.00 C ATOM 817 C GLN A 49 1.743 -1.702 8.954 1.00 0.00 C ATOM 818 O GLN A 49 2.406 -2.633 9.416 1.00 0.00 O ATOM 819 CB GLN A 49 -0.594 -0.723 9.247 1.00 0.00 C ATOM 820 CG GLN A 49 -1.607 -0.243 10.295 1.00 0.00 C ATOM 821 CD GLN A 49 -2.263 1.115 10.035 1.00 0.00 C ATOM 822 OE1 GLN A 49 -1.858 1.890 9.174 1.00 0.00 O ATOM 823 NE2 GLN A 49 -3.298 1.433 10.809 1.00 0.00 N ATOM 0 H GLN A 49 1.118 1.127 9.339 1.00 0.00 H new ATOM 0 HA GLN A 49 0.700 -1.400 10.790 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -0.564 -0.013 8.420 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -0.922 -1.678 8.836 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -2.394 -0.992 10.378 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -1.105 -0.200 11.261 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -3.623 0.778 11.520 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -3.766 2.331 10.691 1.00 0.00 H new ATOM 832 N ALA A 50 1.787 -1.310 7.680 1.00 0.00 N ATOM 833 CA ALA A 50 2.469 -2.012 6.601 1.00 0.00 C ATOM 834 C ALA A 50 2.031 -3.484 6.463 1.00 0.00 C ATOM 835 O ALA A 50 1.347 -4.029 7.324 1.00 0.00 O ATOM 836 CB ALA A 50 3.978 -1.870 6.813 1.00 0.00 C ATOM 0 H ALA A 50 1.327 -0.457 7.362 1.00 0.00 H new ATOM 0 HA ALA A 50 2.188 -1.555 5.652 1.00 0.00 H new ATOM 0 HB1 ALA A 50 4.508 -2.389 6.015 1.00 0.00 H new ATOM 0 HB2 ALA A 50 4.249 -0.814 6.802 1.00 0.00 H new ATOM 0 HB3 ALA A 50 4.253 -2.305 7.774 1.00 0.00 H new ATOM 842 N GLY A 51 2.448 -4.147 5.378 1.00 0.00 N ATOM 843 CA GLY A 51 2.310 -5.586 5.151 1.00 0.00 C ATOM 844 C GLY A 51 0.964 -6.142 5.612 1.00 0.00 C ATOM 845 O GLY A 51 0.917 -7.030 6.475 1.00 0.00 O ATOM 0 H GLY A 51 2.910 -3.673 4.602 1.00 0.00 H new ATOM 0 HA2 GLY A 51 2.437 -5.793 4.088 1.00 0.00 H new ATOM 0 HA3 GLY A 51 3.110 -6.108 5.675 1.00 0.00 H new ATOM 849 N GLY A 52 -0.102 -5.582 5.035 1.00 0.00 N ATOM 850 CA GLY A 52 -1.501 -5.820 5.329 1.00 0.00 C ATOM 851 C GLY A 52 -2.277 -4.664 4.697 1.00 0.00 C ATOM 852 O GLY A 52 -1.667 -3.685 4.255 1.00 0.00 O ATOM 0 H GLY A 52 0.010 -4.895 4.290 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -1.827 -6.776 4.920 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -1.671 -5.859 6.405 1.00 0.00 H new ATOM 856 N ASP A 53 -3.598 -4.789 4.600 1.00 0.00 N ATOM 857 CA ASP A 53 -4.485 -3.728 4.152 1.00 0.00 C ATOM 858 C ASP A 53 -4.303 -2.496 5.034 1.00 0.00 C ATOM 859 O ASP A 53 -4.217 -2.609 6.255 1.00 0.00 O ATOM 860 CB ASP A 53 -5.950 -4.203 3.996 1.00 0.00 C ATOM 861 CG ASP A 53 -6.473 -5.240 4.996 1.00 0.00 C ATOM 862 OD1 ASP A 53 -5.672 -6.106 5.422 1.00 0.00 O ATOM 863 OD2 ASP A 53 -7.700 -5.225 5.230 1.00 0.00 O ATOM 0 H ASP A 53 -4.089 -5.651 4.837 1.00 0.00 H new ATOM 0 HA ASP A 53 -4.206 -3.433 3.141 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -6.595 -3.326 4.054 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -6.064 -4.616 2.994 1.00 0.00 H new ATOM 868 N ALA A 54 -4.148 -1.331 4.384 1.00 0.00 N ATOM 869 CA ALA A 54 -4.050 -0.042 5.061 1.00 0.00 C ATOM 870 C ALA A 54 -5.209 0.870 4.661 1.00 0.00 C ATOM 871 O ALA A 54 -5.215 2.051 5.020 1.00 0.00 O ATOM 872 CB ALA A 54 -2.710 0.644 4.775 1.00 0.00 C ATOM 0 H ALA A 54 -4.088 -1.264 3.368 1.00 0.00 H new ATOM 0 HA ALA A 54 -4.107 -0.231 6.133 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -2.673 1.601 5.295 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -1.895 0.010 5.123 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -2.608 0.810 3.703 1.00 0.00 H new ATOM 878 N THR A 55 -6.173 0.341 3.896 1.00 0.00 N ATOM 879 CA THR A 55 -7.356 1.065 3.481 1.00 0.00 C ATOM 880 C THR A 55 -7.963 1.836 4.645 1.00 0.00 C ATOM 881 O THR A 55 -8.280 3.005 4.473 1.00 0.00 O ATOM 882 CB THR A 55 -8.379 0.113 2.847 1.00 0.00 C ATOM 883 OG1 THR A 55 -7.910 -0.287 1.578 1.00 0.00 O ATOM 884 CG2 THR A 55 -9.713 0.828 2.622 1.00 0.00 C ATOM 0 H THR A 55 -6.141 -0.618 3.549 1.00 0.00 H new ATOM 0 HA THR A 55 -7.062 1.793 2.725 1.00 0.00 H new ATOM 0 HB THR A 55 -8.514 -0.737 3.516 1.00 0.00 H new ATOM 0 HG1 THR A 55 -7.256 -1.009 1.684 1.00 0.00 H new ATOM 0 HG21 THR A 55 -10.425 0.136 2.172 1.00 0.00 H new ATOM 0 HG22 THR A 55 -10.103 1.180 3.577 1.00 0.00 H new ATOM 0 HG23 THR A 55 -9.562 1.678 1.957 1.00 0.00 H new ATOM 892 N GLU A 56 -8.108 1.206 5.812 1.00 0.00 N ATOM 893 CA GLU A 56 -8.643 1.835 7.006 1.00 0.00 C ATOM 894 C GLU A 56 -7.991 3.201 7.229 1.00 0.00 C ATOM 895 O GLU A 56 -8.674 4.218 7.293 1.00 0.00 O ATOM 896 CB GLU A 56 -8.435 0.914 8.218 1.00 0.00 C ATOM 897 CG GLU A 56 -9.044 -0.483 8.011 1.00 0.00 C ATOM 898 CD GLU A 56 -8.025 -1.524 7.572 1.00 0.00 C ATOM 899 OE1 GLU A 56 -7.393 -1.276 6.518 1.00 0.00 O ATOM 900 OE2 GLU A 56 -7.920 -2.531 8.303 1.00 0.00 O ATOM 0 H GLU A 56 -7.851 0.229 5.949 1.00 0.00 H new ATOM 0 HA GLU A 56 -9.713 1.996 6.877 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -7.368 0.815 8.416 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -8.881 1.374 9.100 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -9.510 -0.810 8.940 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -9.834 -0.420 7.263 1.00 0.00 H new ATOM 907 N ASN A 57 -6.660 3.223 7.310 1.00 0.00 N ATOM 908 CA ASN A 57 -5.899 4.418 7.654 1.00 0.00 C ATOM 909 C ASN A 57 -5.893 5.408 6.484 1.00 0.00 C ATOM 910 O ASN A 57 -6.002 6.618 6.656 1.00 0.00 O ATOM 911 CB ASN A 57 -4.481 3.999 8.067 1.00 0.00 C ATOM 912 CG ASN A 57 -3.862 4.950 9.090 1.00 0.00 C ATOM 913 OD1 ASN A 57 -4.250 6.105 9.211 1.00 0.00 O ATOM 914 ND2 ASN A 57 -2.886 4.462 9.852 1.00 0.00 N ATOM 0 H ASN A 57 -6.078 2.404 7.137 1.00 0.00 H new ATOM 0 HA ASN A 57 -6.366 4.932 8.494 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -4.510 2.992 8.484 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -3.846 3.959 7.182 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -2.444 5.054 10.556 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -2.580 3.496 9.732 1.00 0.00 H new ATOM 921 N PHE A 58 -5.786 4.886 5.259 1.00 0.00 N ATOM 922 CA PHE A 58 -5.888 5.701 4.056 1.00 0.00 C ATOM 923 C PHE A 58 -7.236 6.442 3.985 1.00 0.00 C ATOM 924 O PHE A 58 -7.249 7.640 3.691 1.00 0.00 O ATOM 925 CB PHE A 58 -5.619 4.823 2.830 1.00 0.00 C ATOM 926 CG PHE A 58 -6.098 5.400 1.513 1.00 0.00 C ATOM 927 CD1 PHE A 58 -5.328 6.345 0.809 1.00 0.00 C ATOM 928 CD2 PHE A 58 -7.372 5.051 1.038 1.00 0.00 C ATOM 929 CE1 PHE A 58 -5.855 6.962 -0.339 1.00 0.00 C ATOM 930 CE2 PHE A 58 -7.946 5.758 -0.028 1.00 0.00 C ATOM 931 CZ PHE A 58 -7.187 6.719 -0.718 1.00 0.00 C ATOM 0 H PHE A 58 -5.628 3.895 5.079 1.00 0.00 H new ATOM 0 HA PHE A 58 -5.131 6.485 4.081 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -4.547 4.640 2.761 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -6.098 3.856 2.982 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -4.334 6.596 1.150 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -7.912 4.235 1.495 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -5.237 7.622 -0.929 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -8.968 5.565 -0.318 1.00 0.00 H new ATOM 0 HZ PHE A 58 -7.626 7.269 -1.537 1.00 0.00 H new ATOM 941 N GLU A 59 -8.347 5.741 4.252 1.00 0.00 N ATOM 942 CA GLU A 59 -9.716 6.259 4.214 1.00 0.00 C ATOM 943 C GLU A 59 -10.026 7.111 5.446 1.00 0.00 C ATOM 944 O GLU A 59 -10.807 8.051 5.342 1.00 0.00 O ATOM 945 CB GLU A 59 -10.752 5.129 4.088 1.00 0.00 C ATOM 946 CG GLU A 59 -10.936 4.604 2.651 1.00 0.00 C ATOM 947 CD GLU A 59 -11.600 5.595 1.687 1.00 0.00 C ATOM 948 OE1 GLU A 59 -12.298 6.499 2.187 1.00 0.00 O ATOM 949 OE2 GLU A 59 -11.431 5.416 0.457 1.00 0.00 O ATOM 0 H GLU A 59 -8.311 4.755 4.511 1.00 0.00 H new ATOM 0 HA GLU A 59 -9.786 6.888 3.327 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -10.451 4.301 4.730 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -11.712 5.488 4.458 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -9.960 4.328 2.252 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -11.535 3.694 2.685 1.00 0.00 H new ATOM 956 N ASP A 60 -9.405 6.815 6.594 1.00 0.00 N ATOM 957 CA ASP A 60 -9.450 7.676 7.774 1.00 0.00 C ATOM 958 C ASP A 60 -9.194 9.130 7.351 1.00 0.00 C ATOM 959 O ASP A 60 -9.939 10.039 7.710 1.00 0.00 O ATOM 960 CB ASP A 60 -8.421 7.184 8.801 1.00 0.00 C ATOM 961 CG ASP A 60 -8.614 7.816 10.167 1.00 0.00 C ATOM 962 OD1 ASP A 60 -8.134 8.957 10.335 1.00 0.00 O ATOM 963 OD2 ASP A 60 -9.201 7.126 11.028 1.00 0.00 O ATOM 0 H ASP A 60 -8.855 5.966 6.728 1.00 0.00 H new ATOM 0 HA ASP A 60 -10.433 7.634 8.243 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -8.494 6.100 8.892 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -7.417 7.407 8.440 1.00 0.00 H new ATOM 968 N VAL A 61 -8.184 9.319 6.492 1.00 0.00 N ATOM 969 CA VAL A 61 -7.891 10.599 5.850 1.00 0.00 C ATOM 970 C VAL A 61 -8.632 10.785 4.518 1.00 0.00 C ATOM 971 O VAL A 61 -8.873 11.917 4.098 1.00 0.00 O ATOM 972 CB VAL A 61 -6.369 10.792 5.753 1.00 0.00 C ATOM 973 CG1 VAL A 61 -6.003 12.121 5.078 1.00 0.00 C ATOM 974 CG2 VAL A 61 -5.782 10.793 7.172 1.00 0.00 C ATOM 0 H VAL A 61 -7.541 8.575 6.222 1.00 0.00 H new ATOM 0 HA VAL A 61 -8.282 11.401 6.476 1.00 0.00 H new ATOM 0 HB VAL A 61 -5.963 9.978 5.152 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -4.918 12.218 5.030 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -6.415 12.142 4.069 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -6.416 12.948 5.656 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -4.702 10.929 7.119 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -6.222 11.607 7.747 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -6.004 9.843 7.658 1.00 0.00 H new ATOM 984 N GLY A 62 -8.979 9.712 3.809 1.00 0.00 N ATOM 985 CA GLY A 62 -9.769 9.778 2.583 1.00 0.00 C ATOM 986 C GLY A 62 -8.872 10.052 1.381 1.00 0.00 C ATOM 987 O GLY A 62 -8.930 9.330 0.388 1.00 0.00 O ATOM 0 H GLY A 62 -8.716 8.763 4.073 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -10.304 8.840 2.438 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -10.520 10.563 2.670 1.00 0.00 H new ATOM 991 N HIS A 63 -8.041 11.094 1.499 1.00 0.00 N ATOM 992 CA HIS A 63 -7.139 11.607 0.474 1.00 0.00 C ATOM 993 C HIS A 63 -7.895 12.276 -0.679 1.00 0.00 C ATOM 994 O HIS A 63 -9.087 12.062 -0.887 1.00 0.00 O ATOM 995 CB HIS A 63 -6.190 10.528 -0.069 1.00 0.00 C ATOM 996 CG HIS A 63 -5.122 10.071 0.886 1.00 0.00 C ATOM 997 ND1 HIS A 63 -5.281 9.307 2.022 1.00 0.00 N ATOM 998 CD2 HIS A 63 -3.783 10.286 0.707 1.00 0.00 C ATOM 999 CE1 HIS A 63 -4.048 9.096 2.518 1.00 0.00 C ATOM 1000 NE2 HIS A 63 -3.095 9.661 1.745 1.00 0.00 N ATOM 0 H HIS A 63 -7.980 11.630 2.365 1.00 0.00 H new ATOM 0 HA HIS A 63 -6.532 12.365 0.969 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -6.783 9.663 -0.366 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -5.709 10.910 -0.970 1.00 0.00 H new ATOM 0 HD1 HIS A 63 -6.161 8.968 2.411 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -3.335 10.845 -0.101 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -3.845 8.543 3.423 1.00 0.00 H new ATOM 1008 N SER A 64 -7.177 13.101 -1.446 1.00 0.00 N ATOM 1009 CA SER A 64 -7.680 13.702 -2.667 1.00 0.00 C ATOM 1010 C SER A 64 -7.629 12.690 -3.813 1.00 0.00 C ATOM 1011 O SER A 64 -6.837 11.749 -3.789 1.00 0.00 O ATOM 1012 CB SER A 64 -6.821 14.920 -3.018 1.00 0.00 C ATOM 1013 OG SER A 64 -6.592 15.700 -1.860 1.00 0.00 O ATOM 0 H SER A 64 -6.218 13.369 -1.226 1.00 0.00 H new ATOM 0 HA SER A 64 -8.715 14.010 -2.517 1.00 0.00 H new ATOM 0 HB2 SER A 64 -5.871 14.595 -3.442 1.00 0.00 H new ATOM 0 HB3 SER A 64 -7.320 15.521 -3.778 1.00 0.00 H new ATOM 0 HG SER A 64 -6.041 16.476 -2.092 1.00 0.00 H new ATOM 1019 N THR A 65 -8.434 12.924 -4.847 1.00 0.00 N ATOM 1020 CA THR A 65 -8.475 12.117 -6.057 1.00 0.00 C ATOM 1021 C THR A 65 -7.073 11.892 -6.629 1.00 0.00 C ATOM 1022 O THR A 65 -6.686 10.758 -6.898 1.00 0.00 O ATOM 1023 CB THR A 65 -9.401 12.820 -7.057 1.00 0.00 C ATOM 1024 OG1 THR A 65 -10.585 13.188 -6.375 1.00 0.00 O ATOM 1025 CG2 THR A 65 -9.750 11.905 -8.234 1.00 0.00 C ATOM 0 H THR A 65 -9.093 13.703 -4.863 1.00 0.00 H new ATOM 0 HA THR A 65 -8.865 11.124 -5.834 1.00 0.00 H new ATOM 0 HB THR A 65 -8.893 13.697 -7.459 1.00 0.00 H new ATOM 0 HG1 THR A 65 -11.193 13.642 -6.996 1.00 0.00 H new ATOM 0 HG21 THR A 65 -10.408 12.434 -8.924 1.00 0.00 H new ATOM 0 HG22 THR A 65 -8.836 11.616 -8.753 1.00 0.00 H new ATOM 0 HG23 THR A 65 -10.255 11.013 -7.864 1.00 0.00 H new ATOM 1033 N ASP A 66 -6.309 12.974 -6.786 1.00 0.00 N ATOM 1034 CA ASP A 66 -4.941 13.002 -7.286 1.00 0.00 C ATOM 1035 C ASP A 66 -4.093 11.899 -6.657 1.00 0.00 C ATOM 1036 O ASP A 66 -3.406 11.146 -7.350 1.00 0.00 O ATOM 1037 CB ASP A 66 -4.336 14.374 -6.956 1.00 0.00 C ATOM 1038 CG ASP A 66 -5.162 15.524 -7.517 1.00 0.00 C ATOM 1039 OD1 ASP A 66 -6.354 15.583 -7.129 1.00 0.00 O ATOM 1040 OD2 ASP A 66 -4.597 16.308 -8.307 1.00 0.00 O ATOM 0 H ASP A 66 -6.652 13.906 -6.553 1.00 0.00 H new ATOM 0 HA ASP A 66 -4.953 12.833 -8.363 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -4.256 14.482 -5.874 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -3.324 14.428 -7.357 1.00 0.00 H new ATOM 1045 N ALA A 67 -4.163 11.801 -5.327 1.00 0.00 N ATOM 1046 CA ALA A 67 -3.462 10.779 -4.574 1.00 0.00 C ATOM 1047 C ALA A 67 -3.773 9.393 -5.133 1.00 0.00 C ATOM 1048 O ALA A 67 -2.860 8.587 -5.245 1.00 0.00 O ATOM 1049 CB ALA A 67 -3.814 10.846 -3.089 1.00 0.00 C ATOM 0 H ALA A 67 -4.712 12.435 -4.747 1.00 0.00 H new ATOM 0 HA ALA A 67 -2.393 10.965 -4.675 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -3.273 10.067 -2.551 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -3.535 11.822 -2.693 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -4.886 10.696 -2.962 1.00 0.00 H new ATOM 1055 N ARG A 68 -5.027 9.100 -5.500 1.00 0.00 N ATOM 1056 CA ARG A 68 -5.393 7.802 -6.065 1.00 0.00 C ATOM 1057 C ARG A 68 -4.603 7.520 -7.348 1.00 0.00 C ATOM 1058 O ARG A 68 -4.010 6.451 -7.492 1.00 0.00 O ATOM 1059 CB ARG A 68 -6.906 7.667 -6.302 1.00 0.00 C ATOM 1060 CG ARG A 68 -7.700 7.853 -5.001 1.00 0.00 C ATOM 1061 CD ARG A 68 -9.153 7.355 -5.124 1.00 0.00 C ATOM 1062 NE ARG A 68 -9.539 6.493 -3.984 1.00 0.00 N ATOM 1063 CZ ARG A 68 -10.710 5.845 -3.857 1.00 0.00 C ATOM 1064 NH1 ARG A 68 -11.619 5.939 -4.836 1.00 0.00 N ATOM 1065 NH2 ARG A 68 -10.975 5.106 -2.769 1.00 0.00 N ATOM 0 H ARG A 68 -5.807 9.751 -5.414 1.00 0.00 H new ATOM 0 HA ARG A 68 -5.126 7.048 -5.325 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -7.228 8.407 -7.034 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -7.123 6.686 -6.724 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -7.202 7.316 -4.194 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -7.702 8.908 -4.727 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -9.827 8.210 -5.177 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -9.269 6.800 -6.055 1.00 0.00 H new ATOM 0 HE ARG A 68 -8.859 6.381 -3.232 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -11.419 6.497 -5.666 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -12.511 5.452 -4.752 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -10.283 5.030 -2.023 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -11.868 4.620 -2.688 1.00 0.00 H new ATOM 1079 N GLU A 69 -4.559 8.476 -8.278 1.00 0.00 N ATOM 1080 CA GLU A 69 -3.764 8.297 -9.488 1.00 0.00 C ATOM 1081 C GLU A 69 -2.284 8.125 -9.133 1.00 0.00 C ATOM 1082 O GLU A 69 -1.611 7.239 -9.661 1.00 0.00 O ATOM 1083 CB GLU A 69 -4.001 9.447 -10.479 1.00 0.00 C ATOM 1084 CG GLU A 69 -5.362 9.318 -11.182 1.00 0.00 C ATOM 1085 CD GLU A 69 -5.405 8.127 -12.135 1.00 0.00 C ATOM 1086 OE1 GLU A 69 -4.961 8.247 -13.294 1.00 0.00 O ATOM 1087 OE2 GLU A 69 -5.860 7.047 -11.704 1.00 0.00 O ATOM 0 H GLU A 69 -5.055 9.365 -8.217 1.00 0.00 H new ATOM 0 HA GLU A 69 -4.085 7.384 -9.989 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -3.953 10.399 -9.950 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -3.205 9.456 -11.224 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -6.147 9.212 -10.434 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -5.572 10.233 -11.736 1.00 0.00 H new ATOM 1094 N LEU A 70 -1.779 8.925 -8.190 1.00 0.00 N ATOM 1095 CA LEU A 70 -0.414 8.759 -7.711 1.00 0.00 C ATOM 1096 C LEU A 70 -0.205 7.348 -7.133 1.00 0.00 C ATOM 1097 O LEU A 70 0.829 6.728 -7.362 1.00 0.00 O ATOM 1098 CB LEU A 70 -0.062 9.864 -6.706 1.00 0.00 C ATOM 1099 CG LEU A 70 1.458 10.059 -6.588 1.00 0.00 C ATOM 1100 CD1 LEU A 70 2.021 10.875 -7.760 1.00 0.00 C ATOM 1101 CD2 LEU A 70 1.796 10.781 -5.278 1.00 0.00 C ATOM 0 H LEU A 70 -2.294 9.687 -7.749 1.00 0.00 H new ATOM 0 HA LEU A 70 0.272 8.858 -8.552 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -0.526 10.800 -7.016 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -0.474 9.612 -5.729 1.00 0.00 H new ATOM 0 HG LEU A 70 1.913 9.068 -6.604 1.00 0.00 H new ATOM 0 HD11 LEU A 70 3.098 10.990 -7.639 1.00 0.00 H new ATOM 0 HD12 LEU A 70 1.815 10.357 -8.696 1.00 0.00 H new ATOM 0 HD13 LEU A 70 1.551 11.858 -7.778 1.00 0.00 H new ATOM 0 HD21 LEU A 70 2.875 10.914 -5.204 1.00 0.00 H new ATOM 0 HD22 LEU A 70 1.308 11.756 -5.263 1.00 0.00 H new ATOM 0 HD23 LEU A 70 1.445 10.187 -4.434 1.00 0.00 H new ATOM 1113 N SER A 71 -1.201 6.805 -6.426 1.00 0.00 N ATOM 1114 CA SER A 71 -1.194 5.423 -5.974 1.00 0.00 C ATOM 1115 C SER A 71 -0.952 4.499 -7.163 1.00 0.00 C ATOM 1116 O SER A 71 -0.115 3.607 -7.082 1.00 0.00 O ATOM 1117 CB SER A 71 -2.497 5.040 -5.254 1.00 0.00 C ATOM 1118 OG SER A 71 -2.954 6.033 -4.361 1.00 0.00 O ATOM 0 H SER A 71 -2.037 7.321 -6.153 1.00 0.00 H new ATOM 0 HA SER A 71 -0.387 5.312 -5.250 1.00 0.00 H new ATOM 0 HB2 SER A 71 -3.271 4.845 -5.997 1.00 0.00 H new ATOM 0 HB3 SER A 71 -2.341 4.111 -4.705 1.00 0.00 H new ATOM 0 HG SER A 71 -3.024 6.889 -4.832 1.00 0.00 H new ATOM 1124 N LYS A 72 -1.663 4.709 -8.276 1.00 0.00 N ATOM 1125 CA LYS A 72 -1.450 3.912 -9.480 1.00 0.00 C ATOM 1126 C LYS A 72 0.033 3.888 -9.878 1.00 0.00 C ATOM 1127 O LYS A 72 0.589 2.826 -10.139 1.00 0.00 O ATOM 1128 CB LYS A 72 -2.363 4.360 -10.634 1.00 0.00 C ATOM 1129 CG LYS A 72 -3.216 3.181 -11.134 1.00 0.00 C ATOM 1130 CD LYS A 72 -3.917 3.503 -12.466 1.00 0.00 C ATOM 1131 CE LYS A 72 -5.354 4.020 -12.283 1.00 0.00 C ATOM 1132 NZ LYS A 72 -5.711 5.061 -13.271 1.00 0.00 N ATOM 0 H LYS A 72 -2.387 5.422 -8.364 1.00 0.00 H new ATOM 0 HA LYS A 72 -1.733 2.885 -9.249 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -3.011 5.170 -10.299 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -1.759 4.753 -11.452 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -2.583 2.303 -11.260 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -3.964 2.929 -10.382 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -3.334 4.250 -13.005 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -3.936 2.606 -13.086 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -6.051 3.186 -12.371 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -5.466 4.425 -11.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -6.007 5.925 -12.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -4.886 5.271 -13.868 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -6.492 4.720 -13.867 1.00 0.00 H new ATOM 1146 N THR A 73 0.698 5.043 -9.868 1.00 0.00 N ATOM 1147 CA THR A 73 2.130 5.128 -10.112 1.00 0.00 C ATOM 1148 C THR A 73 2.978 4.270 -9.145 1.00 0.00 C ATOM 1149 O THR A 73 4.090 3.892 -9.504 1.00 0.00 O ATOM 1150 CB THR A 73 2.516 6.616 -10.151 1.00 0.00 C ATOM 1151 OG1 THR A 73 2.053 7.178 -11.363 1.00 0.00 O ATOM 1152 CG2 THR A 73 4.009 6.877 -10.014 1.00 0.00 C ATOM 0 H THR A 73 0.255 5.944 -9.690 1.00 0.00 H new ATOM 0 HA THR A 73 2.362 4.682 -11.079 1.00 0.00 H new ATOM 0 HB THR A 73 2.046 7.082 -9.285 1.00 0.00 H new ATOM 0 HG1 THR A 73 2.293 8.128 -11.396 1.00 0.00 H new ATOM 0 HG21 THR A 73 4.196 7.950 -10.051 1.00 0.00 H new ATOM 0 HG22 THR A 73 4.362 6.480 -9.062 1.00 0.00 H new ATOM 0 HG23 THR A 73 4.540 6.388 -10.830 1.00 0.00 H new ATOM 1160 N TYR A 74 2.476 3.929 -7.950 1.00 0.00 N ATOM 1161 CA TYR A 74 3.167 3.079 -6.975 1.00 0.00 C ATOM 1162 C TYR A 74 2.630 1.642 -6.951 1.00 0.00 C ATOM 1163 O TYR A 74 3.032 0.831 -6.112 1.00 0.00 O ATOM 1164 CB TYR A 74 3.027 3.700 -5.584 1.00 0.00 C ATOM 1165 CG TYR A 74 3.758 5.017 -5.405 1.00 0.00 C ATOM 1166 CD1 TYR A 74 5.163 5.066 -5.489 1.00 0.00 C ATOM 1167 CD2 TYR A 74 3.037 6.198 -5.160 1.00 0.00 C ATOM 1168 CE1 TYR A 74 5.832 6.303 -5.439 1.00 0.00 C ATOM 1169 CE2 TYR A 74 3.711 7.428 -5.075 1.00 0.00 C ATOM 1170 CZ TYR A 74 5.100 7.490 -5.270 1.00 0.00 C ATOM 1171 OH TYR A 74 5.715 8.707 -5.325 1.00 0.00 O ATOM 0 H TYR A 74 1.560 4.243 -7.629 1.00 0.00 H new ATOM 0 HA TYR A 74 4.214 3.023 -7.273 1.00 0.00 H new ATOM 0 HB2 TYR A 74 1.969 3.855 -5.374 1.00 0.00 H new ATOM 0 HB3 TYR A 74 3.398 2.990 -4.844 1.00 0.00 H new ATOM 0 HD1 TYR A 74 5.729 4.152 -5.592 1.00 0.00 H new ATOM 0 HD2 TYR A 74 1.965 6.160 -5.037 1.00 0.00 H new ATOM 0 HE1 TYR A 74 6.907 6.340 -5.530 1.00 0.00 H new ATOM 0 HE2 TYR A 74 3.158 8.330 -4.859 1.00 0.00 H new ATOM 0 HH TYR A 74 5.774 9.085 -4.423 1.00 0.00 H new ATOM 1181 N ILE A 75 1.699 1.317 -7.846 1.00 0.00 N ATOM 1182 CA ILE A 75 1.106 -0.008 -7.918 1.00 0.00 C ATOM 1183 C ILE A 75 2.171 -0.984 -8.411 1.00 0.00 C ATOM 1184 O ILE A 75 2.784 -0.757 -9.452 1.00 0.00 O ATOM 1185 CB ILE A 75 -0.167 0.052 -8.794 1.00 0.00 C ATOM 1186 CG1 ILE A 75 -1.365 -0.696 -8.189 1.00 0.00 C ATOM 1187 CG2 ILE A 75 0.026 -0.355 -10.265 1.00 0.00 C ATOM 1188 CD1 ILE A 75 -2.650 0.090 -8.480 1.00 0.00 C ATOM 0 H ILE A 75 1.337 1.970 -8.541 1.00 0.00 H new ATOM 0 HA ILE A 75 0.778 -0.369 -6.943 1.00 0.00 H new ATOM 0 HB ILE A 75 -0.395 1.118 -8.799 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -1.434 -1.698 -8.612 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -1.231 -0.812 -7.113 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -0.925 -0.278 -10.792 1.00 0.00 H new ATOM 0 HG22 ILE A 75 0.754 0.307 -10.733 1.00 0.00 H new ATOM 0 HG23 ILE A 75 0.386 -1.383 -10.314 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -3.503 -0.437 -8.053 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -2.577 1.083 -8.037 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -2.784 0.183 -9.558 1.00 0.00 H new ATOM 1200 N ILE A 76 2.412 -2.056 -7.656 1.00 0.00 N ATOM 1201 CA ILE A 76 3.338 -3.098 -8.084 1.00 0.00 C ATOM 1202 C ILE A 76 2.579 -4.310 -8.600 1.00 0.00 C ATOM 1203 O ILE A 76 3.095 -5.039 -9.440 1.00 0.00 O ATOM 1204 CB ILE A 76 4.299 -3.491 -6.954 1.00 0.00 C ATOM 1205 CG1 ILE A 76 3.560 -3.866 -5.658 1.00 0.00 C ATOM 1206 CG2 ILE A 76 5.299 -2.352 -6.729 1.00 0.00 C ATOM 1207 CD1 ILE A 76 4.394 -4.788 -4.773 1.00 0.00 C ATOM 0 H ILE A 76 1.979 -2.223 -6.748 1.00 0.00 H new ATOM 0 HA ILE A 76 3.939 -2.697 -8.901 1.00 0.00 H new ATOM 0 HB ILE A 76 4.839 -4.389 -7.255 1.00 0.00 H new ATOM 0 HG12 ILE A 76 3.313 -2.959 -5.106 1.00 0.00 H new ATOM 0 HG13 ILE A 76 2.618 -4.355 -5.906 1.00 0.00 H new ATOM 0 HG21 ILE A 76 5.986 -2.624 -5.927 1.00 0.00 H new ATOM 0 HG22 ILE A 76 5.863 -2.176 -7.645 1.00 0.00 H new ATOM 0 HG23 ILE A 76 4.761 -1.445 -6.454 1.00 0.00 H new ATOM 0 HD11 ILE A 76 3.835 -5.028 -3.869 1.00 0.00 H new ATOM 0 HD12 ILE A 76 4.619 -5.707 -5.315 1.00 0.00 H new ATOM 0 HD13 ILE A 76 5.324 -4.289 -4.502 1.00 0.00 H new ATOM 1219 N GLY A 77 1.381 -4.547 -8.069 1.00 0.00 N ATOM 1220 CA GLY A 77 0.691 -5.813 -8.160 1.00 0.00 C ATOM 1221 C GLY A 77 -0.739 -5.602 -7.681 1.00 0.00 C ATOM 1222 O GLY A 77 -1.107 -4.494 -7.278 1.00 0.00 O ATOM 0 H GLY A 77 0.858 -3.840 -7.552 1.00 0.00 H new ATOM 0 HA2 GLY A 77 0.699 -6.179 -9.187 1.00 0.00 H new ATOM 0 HA3 GLY A 77 1.191 -6.565 -7.549 1.00 0.00 H new ATOM 1226 N GLU A 78 -1.536 -6.667 -7.695 1.00 0.00 N ATOM 1227 CA GLU A 78 -2.933 -6.624 -7.299 1.00 0.00 C ATOM 1228 C GLU A 78 -3.238 -7.767 -6.348 1.00 0.00 C ATOM 1229 O GLU A 78 -2.452 -8.701 -6.211 1.00 0.00 O ATOM 1230 CB GLU A 78 -3.835 -6.611 -8.544 1.00 0.00 C ATOM 1231 CG GLU A 78 -4.332 -5.181 -8.784 1.00 0.00 C ATOM 1232 CD GLU A 78 -4.844 -4.918 -10.192 1.00 0.00 C ATOM 1233 OE1 GLU A 78 -5.082 -5.899 -10.928 1.00 0.00 O ATOM 1234 OE2 GLU A 78 -5.004 -3.711 -10.492 1.00 0.00 O ATOM 0 H GLU A 78 -1.222 -7.593 -7.986 1.00 0.00 H new ATOM 0 HA GLU A 78 -3.140 -5.702 -6.756 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -3.283 -6.969 -9.413 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -4.680 -7.285 -8.404 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -5.130 -4.964 -8.074 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -3.519 -4.487 -8.571 1.00 0.00 H new ATOM 1241 N LEU A 79 -4.367 -7.671 -5.653 1.00 0.00 N ATOM 1242 CA LEU A 79 -4.786 -8.693 -4.717 1.00 0.00 C ATOM 1243 C LEU A 79 -5.158 -9.941 -5.521 1.00 0.00 C ATOM 1244 O LEU A 79 -5.849 -9.819 -6.533 1.00 0.00 O ATOM 1245 CB LEU A 79 -5.962 -8.120 -3.910 1.00 0.00 C ATOM 1246 CG LEU A 79 -6.004 -8.520 -2.432 1.00 0.00 C ATOM 1247 CD1 LEU A 79 -6.416 -9.980 -2.239 1.00 0.00 C ATOM 1248 CD2 LEU A 79 -4.683 -8.227 -1.710 1.00 0.00 C ATOM 0 H LEU A 79 -5.011 -6.883 -5.727 1.00 0.00 H new ATOM 0 HA LEU A 79 -4.004 -8.979 -4.013 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -5.928 -7.032 -3.973 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -6.892 -8.438 -4.381 1.00 0.00 H new ATOM 0 HG LEU A 79 -6.773 -7.896 -1.975 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -6.431 -10.216 -1.175 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -7.409 -10.136 -2.660 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -5.701 -10.630 -2.745 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -4.764 -8.528 -0.666 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -3.876 -8.784 -2.187 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -4.468 -7.160 -1.764 1.00 0.00 H new ATOM 1260 N HIS A 80 -4.664 -11.120 -5.123 1.00 0.00 N ATOM 1261 CA HIS A 80 -4.919 -12.365 -5.837 1.00 0.00 C ATOM 1262 C HIS A 80 -6.410 -12.518 -6.177 1.00 0.00 C ATOM 1263 O HIS A 80 -7.251 -12.298 -5.302 1.00 0.00 O ATOM 1264 CB HIS A 80 -4.427 -13.539 -4.985 1.00 0.00 C ATOM 1265 CG HIS A 80 -4.179 -14.803 -5.764 1.00 0.00 C ATOM 1266 ND1 HIS A 80 -4.853 -15.996 -5.630 1.00 0.00 N ATOM 1267 CD2 HIS A 80 -3.164 -14.998 -6.661 1.00 0.00 C ATOM 1268 CE1 HIS A 80 -4.269 -16.880 -6.458 1.00 0.00 C ATOM 1269 NE2 HIS A 80 -3.242 -16.316 -7.114 1.00 0.00 N ATOM 0 H HIS A 80 -4.077 -11.232 -4.296 1.00 0.00 H new ATOM 0 HA HIS A 80 -4.376 -12.351 -6.782 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -3.505 -13.248 -4.483 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -5.163 -13.743 -4.207 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -2.433 -14.263 -6.964 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -4.584 -17.906 -6.579 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -2.639 -16.762 -7.805 1.00 0.00 H new ATOM 1277 N PRO A 81 -6.756 -12.880 -7.424 1.00 0.00 N ATOM 1278 CA PRO A 81 -8.137 -12.914 -7.877 1.00 0.00 C ATOM 1279 C PRO A 81 -8.986 -13.859 -7.023 1.00 0.00 C ATOM 1280 O PRO A 81 -10.149 -13.568 -6.754 1.00 0.00 O ATOM 1281 CB PRO A 81 -8.096 -13.306 -9.359 1.00 0.00 C ATOM 1282 CG PRO A 81 -6.726 -13.958 -9.539 1.00 0.00 C ATOM 1283 CD PRO A 81 -5.857 -13.261 -8.499 1.00 0.00 C ATOM 0 HA PRO A 81 -8.619 -11.943 -7.766 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -8.901 -13.996 -9.610 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -8.210 -12.435 -10.004 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -6.769 -15.034 -9.369 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -6.341 -13.809 -10.548 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -5.073 -13.925 -8.136 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -5.363 -12.387 -8.924 1.00 0.00 H new