USER MOD reduce.3.24.130724 H: found=0, std=0, add=744, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 749 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 95 SER OG : rot -79:sc= 1.09 USER MOD Set 1.2: A 98 GLN : amide:sc= 1.72 K(o=2.8,f=-2!) USER MOD Set 2.1: A 59 ASN : amide:sc= 2.16 K(o=2.9,f=-5.9!) USER MOD Set 2.2: A 62 GLN : amide:sc= 0.735 K(o=2.9,f=-5.9) USER MOD Set 3.1: A 49 TYR OH : rot 134:sc= 0.0353 USER MOD Set 3.2: A 100 LYS NZ :NH3+ 164:sc= 0.415 (180deg=-0.0256) USER MOD Set 4.1: A 8 THR OG1 : rot -44:sc= 1.4 USER MOD Set 4.2: A 11 SER OG : rot 9:sc= 2.87 USER MOD Set 5.1: A 3 LYS NZ :NH3+ 168:sc= 1.07 (180deg=0) USER MOD Set 5.2: A 50 GLN : amide:sc= 1.95 K(o=3,f=-2.2) USER MOD Single : A 6 HIS : no HE2:sc= -0.208 X(o=-0.21,f=-0.67) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0.0647 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ -136:sc= 0.625 (180deg=0) USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ -172:sc= 0.772 (180deg=0.67) USER MOD Single : A 63 ASN : amide:sc= 1.4 K(o=1.4,f=-4.5!) USER MOD Single : A 66 THR OG1 : rot 79:sc= 1.32 USER MOD Single : A 69 LYS NZ :NH3+ -165:sc= 0.707 (180deg=0.563) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 THR OG1 : rot 30:sc= 0.946 USER MOD Single : A 90 LYS NZ :NH3+ -174:sc= 1.12 (180deg=1.05) USER MOD Single : A 96 LYS NZ :NH3+ 148:sc= 0.723 (180deg=0.0388) USER MOD Single : A 106 ASN : amide:sc= 1.19 K(o=1.2,f=-1.3) USER MOD ----------------------------------------------------------------- ATOM 24 N LYS A 3 4.142 -8.763 1.322 1.00 0.00 N ATOM 25 CA LYS A 3 2.908 -8.643 2.085 1.00 0.00 C ATOM 26 C LYS A 3 1.936 -7.813 1.241 1.00 0.00 C ATOM 27 O LYS A 3 1.190 -6.987 1.763 1.00 0.00 O ATOM 28 CB LYS A 3 3.199 -7.978 3.438 1.00 0.00 C ATOM 29 CG LYS A 3 4.218 -8.772 4.263 1.00 0.00 C ATOM 30 CD LYS A 3 4.478 -8.069 5.600 1.00 0.00 C ATOM 31 CE LYS A 3 5.639 -8.738 6.343 1.00 0.00 C ATOM 32 NZ LYS A 3 5.972 -8.012 7.582 1.00 0.00 N ATOM 0 HA LYS A 3 2.468 -9.618 2.297 1.00 0.00 H new ATOM 0 HB2 LYS A 3 3.575 -6.969 3.272 1.00 0.00 H new ATOM 0 HB3 LYS A 3 2.271 -7.884 4.002 1.00 0.00 H new ATOM 0 HG2 LYS A 3 3.846 -9.781 4.440 1.00 0.00 H new ATOM 0 HG3 LYS A 3 5.151 -8.869 3.707 1.00 0.00 H new ATOM 0 HD2 LYS A 3 4.708 -7.018 5.426 1.00 0.00 H new ATOM 0 HD3 LYS A 3 3.579 -8.101 6.215 1.00 0.00 H new ATOM 0 HE2 LYS A 3 5.375 -9.768 6.582 1.00 0.00 H new ATOM 0 HE3 LYS A 3 6.515 -8.776 5.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 6.613 -8.590 8.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 6.437 -7.113 7.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 5.101 -7.820 8.117 1.00 0.00 H new ATOM 46 N ILE A 4 1.983 -8.002 -0.083 1.00 0.00 N ATOM 47 CA ILE A 4 1.191 -7.236 -1.029 1.00 0.00 C ATOM 48 C ILE A 4 -0.186 -7.864 -1.233 1.00 0.00 C ATOM 49 O ILE A 4 -0.311 -9.085 -1.331 1.00 0.00 O ATOM 50 CB ILE A 4 1.957 -7.093 -2.354 1.00 0.00 C ATOM 51 CG1 ILE A 4 3.278 -6.346 -2.094 1.00 0.00 C ATOM 52 CG2 ILE A 4 1.101 -6.364 -3.394 1.00 0.00 C ATOM 53 CD1 ILE A 4 4.001 -5.926 -3.375 1.00 0.00 C ATOM 0 H ILE A 4 2.581 -8.701 -0.524 1.00 0.00 H new ATOM 0 HA ILE A 4 1.023 -6.238 -0.623 1.00 0.00 H new ATOM 0 HB ILE A 4 2.184 -8.081 -2.754 1.00 0.00 H new ATOM 0 HG12 ILE A 4 3.073 -5.459 -1.494 1.00 0.00 H new ATOM 0 HG13 ILE A 4 3.938 -6.984 -1.506 1.00 0.00 H new ATOM 0 HG21 ILE A 4 1.660 -6.272 -4.325 1.00 0.00 H new ATOM 0 HG22 ILE A 4 0.187 -6.930 -3.574 1.00 0.00 H new ATOM 0 HG23 ILE A 4 0.846 -5.371 -3.024 1.00 0.00 H new ATOM 0 HD11 ILE A 4 4.923 -5.405 -3.118 1.00 0.00 H new ATOM 0 HD12 ILE A 4 4.237 -6.811 -3.967 1.00 0.00 H new ATOM 0 HD13 ILE A 4 3.359 -5.263 -3.954 1.00 0.00 H new ATOM 65 N ILE A 5 -1.215 -7.018 -1.329 1.00 0.00 N ATOM 66 CA ILE A 5 -2.588 -7.450 -1.552 1.00 0.00 C ATOM 67 C ILE A 5 -2.895 -7.499 -3.047 1.00 0.00 C ATOM 68 O ILE A 5 -2.905 -6.479 -3.730 1.00 0.00 O ATOM 69 CB ILE A 5 -3.571 -6.548 -0.782 1.00 0.00 C ATOM 70 CG1 ILE A 5 -3.190 -6.369 0.701 1.00 0.00 C ATOM 71 CG2 ILE A 5 -5.009 -7.070 -0.915 1.00 0.00 C ATOM 72 CD1 ILE A 5 -3.060 -7.679 1.484 1.00 0.00 C ATOM 0 H ILE A 5 -1.113 -6.006 -1.253 1.00 0.00 H new ATOM 0 HA ILE A 5 -2.711 -8.461 -1.164 1.00 0.00 H new ATOM 0 HB ILE A 5 -3.509 -5.561 -1.240 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -2.244 -5.831 0.758 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -3.942 -5.745 1.184 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -5.685 -6.417 -0.363 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -5.295 -7.084 -1.967 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -5.068 -8.080 -0.510 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -2.790 -7.460 2.517 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -4.011 -8.212 1.463 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -2.287 -8.299 1.030 1.00 0.00 H new ATOM 84 N HIS A 6 -3.143 -8.705 -3.551 1.00 0.00 N ATOM 85 CA HIS A 6 -3.427 -8.962 -4.950 1.00 0.00 C ATOM 86 C HIS A 6 -4.915 -8.764 -5.224 1.00 0.00 C ATOM 87 O HIS A 6 -5.733 -9.611 -4.870 1.00 0.00 O ATOM 88 CB HIS A 6 -2.876 -10.351 -5.283 1.00 0.00 C ATOM 89 CG HIS A 6 -1.373 -10.344 -5.128 1.00 0.00 C ATOM 90 ND1 HIS A 6 -0.636 -10.800 -4.047 1.00 0.00 N ATOM 91 CD2 HIS A 6 -0.576 -9.484 -5.825 1.00 0.00 C ATOM 92 CE1 HIS A 6 0.593 -10.252 -4.128 1.00 0.00 C ATOM 93 NE2 HIS A 6 0.653 -9.463 -5.210 1.00 0.00 N ATOM 0 H HIS A 6 -3.151 -9.549 -2.978 1.00 0.00 H new ATOM 0 HA HIS A 6 -2.934 -8.256 -5.618 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -3.317 -11.098 -4.623 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -3.146 -10.627 -6.302 1.00 0.00 H new ATOM 0 HD1 HIS A 6 -0.964 -11.436 -3.320 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -0.860 -8.921 -6.702 1.00 0.00 H new ATOM 0 HE1 HIS A 6 1.401 -10.422 -3.432 1.00 0.00 H new ATOM 102 N LEU A 7 -5.254 -7.620 -5.824 1.00 0.00 N ATOM 103 CA LEU A 7 -6.613 -7.197 -6.103 1.00 0.00 C ATOM 104 C LEU A 7 -7.101 -7.618 -7.484 1.00 0.00 C ATOM 105 O LEU A 7 -6.326 -7.893 -8.399 1.00 0.00 O ATOM 106 CB LEU A 7 -6.678 -5.663 -6.060 1.00 0.00 C ATOM 107 CG LEU A 7 -6.291 -5.040 -4.718 1.00 0.00 C ATOM 108 CD1 LEU A 7 -6.264 -3.520 -4.878 1.00 0.00 C ATOM 109 CD2 LEU A 7 -7.300 -5.402 -3.631 1.00 0.00 C ATOM 0 H LEU A 7 -4.558 -6.944 -6.137 1.00 0.00 H new ATOM 0 HA LEU A 7 -7.244 -7.670 -5.350 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -6.020 -5.264 -6.832 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -7.691 -5.350 -6.311 1.00 0.00 H new ATOM 0 HG LEU A 7 -5.313 -5.422 -4.423 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -5.989 -3.059 -3.929 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -5.533 -3.247 -5.639 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -7.250 -3.168 -5.180 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -6.999 -4.945 -2.688 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -8.287 -5.035 -3.913 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -7.336 -6.485 -3.514 1.00 0.00 H new ATOM 121 N THR A 8 -8.425 -7.558 -7.619 1.00 0.00 N ATOM 122 CA THR A 8 -9.189 -7.731 -8.836 1.00 0.00 C ATOM 123 C THR A 8 -10.157 -6.548 -8.905 1.00 0.00 C ATOM 124 O THR A 8 -10.457 -5.940 -7.870 1.00 0.00 O ATOM 125 CB THR A 8 -9.972 -9.050 -8.810 1.00 0.00 C ATOM 126 OG1 THR A 8 -10.958 -9.020 -7.791 1.00 0.00 O ATOM 127 CG2 THR A 8 -9.053 -10.256 -8.597 1.00 0.00 C ATOM 0 H THR A 8 -9.028 -7.373 -6.817 1.00 0.00 H new ATOM 0 HA THR A 8 -8.532 -7.766 -9.705 1.00 0.00 H new ATOM 0 HB THR A 8 -10.452 -9.158 -9.782 1.00 0.00 H new ATOM 0 HG1 THR A 8 -10.573 -8.639 -6.974 1.00 0.00 H new ATOM 0 HG21 THR A 8 -9.648 -11.169 -8.585 1.00 0.00 H new ATOM 0 HG22 THR A 8 -8.326 -10.307 -9.408 1.00 0.00 H new ATOM 0 HG23 THR A 8 -8.530 -10.151 -7.646 1.00 0.00 H new ATOM 135 N ASP A 9 -10.675 -6.241 -10.099 1.00 0.00 N ATOM 136 CA ASP A 9 -11.655 -5.176 -10.287 1.00 0.00 C ATOM 137 C ASP A 9 -12.833 -5.390 -9.327 1.00 0.00 C ATOM 138 O ASP A 9 -13.270 -4.464 -8.651 1.00 0.00 O ATOM 139 CB ASP A 9 -12.118 -5.155 -11.748 1.00 0.00 C ATOM 140 CG ASP A 9 -13.139 -4.049 -12.000 1.00 0.00 C ATOM 141 OD1 ASP A 9 -14.339 -4.323 -11.788 1.00 0.00 O ATOM 142 OD2 ASP A 9 -12.707 -2.952 -12.417 1.00 0.00 O ATOM 0 H ASP A 9 -10.424 -6.727 -10.960 1.00 0.00 H new ATOM 0 HA ASP A 9 -11.205 -4.209 -10.062 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -11.257 -5.011 -12.401 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -12.555 -6.120 -12.005 1.00 0.00 H new ATOM 147 N ASP A 10 -13.310 -6.635 -9.256 1.00 0.00 N ATOM 148 CA ASP A 10 -14.409 -7.059 -8.400 1.00 0.00 C ATOM 149 C ASP A 10 -14.148 -6.710 -6.932 1.00 0.00 C ATOM 150 O ASP A 10 -15.021 -6.175 -6.253 1.00 0.00 O ATOM 151 CB ASP A 10 -14.626 -8.573 -8.549 1.00 0.00 C ATOM 152 CG ASP A 10 -14.873 -8.983 -9.997 1.00 0.00 C ATOM 153 OD1 ASP A 10 -13.881 -8.972 -10.758 1.00 0.00 O ATOM 154 OD2 ASP A 10 -16.041 -9.293 -10.314 1.00 0.00 O ATOM 0 H ASP A 10 -12.926 -7.398 -9.814 1.00 0.00 H new ATOM 0 HA ASP A 10 -15.306 -6.525 -8.713 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -13.753 -9.102 -8.168 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -15.475 -8.878 -7.938 1.00 0.00 H new ATOM 159 N SER A 11 -12.950 -7.021 -6.432 1.00 0.00 N ATOM 160 CA SER A 11 -12.608 -6.791 -5.030 1.00 0.00 C ATOM 161 C SER A 11 -12.274 -5.323 -4.753 1.00 0.00 C ATOM 162 O SER A 11 -12.399 -4.862 -3.619 1.00 0.00 O ATOM 163 CB SER A 11 -11.405 -7.671 -4.680 1.00 0.00 C ATOM 164 OG SER A 11 -10.382 -7.509 -5.648 1.00 0.00 O ATOM 0 H SER A 11 -12.198 -7.435 -6.982 1.00 0.00 H new ATOM 0 HA SER A 11 -13.471 -7.045 -4.414 1.00 0.00 H new ATOM 0 HB2 SER A 11 -11.027 -7.406 -3.693 1.00 0.00 H new ATOM 0 HB3 SER A 11 -11.711 -8.716 -4.635 1.00 0.00 H new ATOM 0 HG SER A 11 -10.614 -6.771 -6.249 1.00 0.00 H new ATOM 170 N PHE A 12 -11.814 -4.608 -5.785 1.00 0.00 N ATOM 171 CA PHE A 12 -11.379 -3.224 -5.729 1.00 0.00 C ATOM 172 C PHE A 12 -12.210 -2.346 -4.793 1.00 0.00 C ATOM 173 O PHE A 12 -11.659 -1.654 -3.944 1.00 0.00 O ATOM 174 CB PHE A 12 -11.353 -2.641 -7.143 1.00 0.00 C ATOM 175 CG PHE A 12 -10.389 -1.491 -7.280 1.00 0.00 C ATOM 176 CD1 PHE A 12 -10.731 -0.216 -6.793 1.00 0.00 C ATOM 177 CD2 PHE A 12 -9.076 -1.751 -7.709 1.00 0.00 C ATOM 178 CE1 PHE A 12 -9.755 0.789 -6.721 1.00 0.00 C ATOM 179 CE2 PHE A 12 -8.136 -0.714 -7.741 1.00 0.00 C ATOM 180 CZ PHE A 12 -8.465 0.551 -7.230 1.00 0.00 C ATOM 0 H PHE A 12 -11.734 -5.004 -6.722 1.00 0.00 H new ATOM 0 HA PHE A 12 -10.376 -3.227 -5.303 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -11.080 -3.425 -7.850 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -12.354 -2.304 -7.411 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -11.743 -0.012 -6.475 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -8.793 -2.748 -8.013 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -9.993 1.744 -6.276 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -7.156 -0.888 -8.160 1.00 0.00 H new ATOM 0 HZ PHE A 12 -7.729 1.341 -7.227 1.00 0.00 H new ATOM 190 N ASP A 13 -13.537 -2.350 -4.940 1.00 0.00 N ATOM 191 CA ASP A 13 -14.393 -1.528 -4.094 1.00 0.00 C ATOM 192 C ASP A 13 -14.170 -1.847 -2.611 1.00 0.00 C ATOM 193 O ASP A 13 -13.757 -0.995 -1.823 1.00 0.00 O ATOM 194 CB ASP A 13 -15.864 -1.734 -4.481 1.00 0.00 C ATOM 195 CG ASP A 13 -16.804 -1.104 -3.454 1.00 0.00 C ATOM 196 OD1 ASP A 13 -16.979 0.132 -3.524 1.00 0.00 O ATOM 197 OD2 ASP A 13 -17.313 -1.869 -2.605 1.00 0.00 O ATOM 0 H ASP A 13 -14.035 -2.910 -5.632 1.00 0.00 H new ATOM 0 HA ASP A 13 -14.132 -0.481 -4.250 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -16.048 -1.296 -5.462 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -16.074 -2.800 -4.563 1.00 0.00 H new ATOM 202 N THR A 14 -14.474 -3.085 -2.234 1.00 0.00 N ATOM 203 CA THR A 14 -14.397 -3.555 -0.867 1.00 0.00 C ATOM 204 C THR A 14 -12.997 -3.392 -0.275 1.00 0.00 C ATOM 205 O THR A 14 -12.857 -3.062 0.898 1.00 0.00 O ATOM 206 CB THR A 14 -14.862 -5.014 -0.850 1.00 0.00 C ATOM 207 OG1 THR A 14 -15.936 -5.164 -1.760 1.00 0.00 O ATOM 208 CG2 THR A 14 -15.310 -5.455 0.545 1.00 0.00 C ATOM 0 H THR A 14 -14.787 -3.801 -2.890 1.00 0.00 H new ATOM 0 HA THR A 14 -15.046 -2.950 -0.233 1.00 0.00 H new ATOM 0 HB THR A 14 -14.020 -5.643 -1.140 1.00 0.00 H new ATOM 0 HG1 THR A 14 -16.239 -6.096 -1.757 1.00 0.00 H new ATOM 0 HG21 THR A 14 -15.632 -6.496 0.512 1.00 0.00 H new ATOM 0 HG22 THR A 14 -14.479 -5.354 1.243 1.00 0.00 H new ATOM 0 HG23 THR A 14 -16.139 -4.829 0.876 1.00 0.00 H new ATOM 216 N ASP A 15 -11.962 -3.647 -1.072 1.00 0.00 N ATOM 217 CA ASP A 15 -10.592 -3.570 -0.591 1.00 0.00 C ATOM 218 C ASP A 15 -10.079 -2.133 -0.558 1.00 0.00 C ATOM 219 O ASP A 15 -9.579 -1.682 0.467 1.00 0.00 O ATOM 220 CB ASP A 15 -9.683 -4.434 -1.469 1.00 0.00 C ATOM 221 CG ASP A 15 -9.851 -5.928 -1.208 1.00 0.00 C ATOM 222 OD1 ASP A 15 -10.997 -6.414 -1.335 1.00 0.00 O ATOM 223 OD2 ASP A 15 -8.823 -6.567 -0.894 1.00 0.00 O ATOM 0 H ASP A 15 -12.050 -3.909 -2.054 1.00 0.00 H new ATOM 0 HA ASP A 15 -10.578 -3.946 0.432 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -9.896 -4.227 -2.518 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -8.644 -4.154 -1.294 1.00 0.00 H new ATOM 228 N VAL A 16 -10.137 -1.439 -1.695 1.00 0.00 N ATOM 229 CA VAL A 16 -9.559 -0.118 -1.877 1.00 0.00 C ATOM 230 C VAL A 16 -10.518 1.006 -1.508 1.00 0.00 C ATOM 231 O VAL A 16 -10.164 1.879 -0.715 1.00 0.00 O ATOM 232 CB VAL A 16 -9.076 0.042 -3.326 1.00 0.00 C ATOM 233 CG1 VAL A 16 -8.248 1.322 -3.468 1.00 0.00 C ATOM 234 CG2 VAL A 16 -8.225 -1.146 -3.777 1.00 0.00 C ATOM 0 H VAL A 16 -10.600 -1.793 -2.532 1.00 0.00 H new ATOM 0 HA VAL A 16 -8.713 -0.039 -1.194 1.00 0.00 H new ATOM 0 HB VAL A 16 -9.964 0.093 -3.956 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -7.911 1.425 -4.499 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -8.860 2.183 -3.199 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -7.383 1.271 -2.807 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -7.904 -0.993 -4.807 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -7.350 -1.232 -3.133 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -8.814 -2.061 -3.713 1.00 0.00 H new ATOM 244 N LEU A 17 -11.725 1.024 -2.079 1.00 0.00 N ATOM 245 CA LEU A 17 -12.641 2.124 -1.791 1.00 0.00 C ATOM 246 C LEU A 17 -12.981 2.144 -0.303 1.00 0.00 C ATOM 247 O LEU A 17 -13.042 3.216 0.295 1.00 0.00 O ATOM 248 CB LEU A 17 -13.851 2.162 -2.731 1.00 0.00 C ATOM 249 CG LEU A 17 -13.441 2.352 -4.206 1.00 0.00 C ATOM 250 CD1 LEU A 17 -14.696 2.427 -5.082 1.00 0.00 C ATOM 251 CD2 LEU A 17 -12.616 3.629 -4.427 1.00 0.00 C ATOM 0 H LEU A 17 -12.080 0.315 -2.721 1.00 0.00 H new ATOM 0 HA LEU A 17 -12.135 3.065 -2.007 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -14.416 1.235 -2.630 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -14.514 2.974 -2.433 1.00 0.00 H new ATOM 0 HG LEU A 17 -12.822 1.497 -4.478 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -14.405 2.561 -6.124 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -15.266 1.504 -4.981 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -15.311 3.270 -4.766 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -12.354 3.715 -5.481 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -13.203 4.497 -4.127 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -11.706 3.582 -3.829 1.00 0.00 H new ATOM 263 N LYS A 18 -13.133 0.969 0.308 1.00 0.00 N ATOM 264 CA LYS A 18 -13.351 0.868 1.747 1.00 0.00 C ATOM 265 C LYS A 18 -12.034 0.566 2.488 1.00 0.00 C ATOM 266 O LYS A 18 -12.066 -0.068 3.542 1.00 0.00 O ATOM 267 CB LYS A 18 -14.447 -0.167 2.042 1.00 0.00 C ATOM 268 CG LYS A 18 -15.726 0.099 1.231 1.00 0.00 C ATOM 269 CD LYS A 18 -16.843 -0.903 1.554 1.00 0.00 C ATOM 270 CE LYS A 18 -17.418 -0.707 2.963 1.00 0.00 C ATOM 271 NZ LYS A 18 -18.571 -1.595 3.196 1.00 0.00 N ATOM 0 H LYS A 18 -13.109 0.071 -0.176 1.00 0.00 H new ATOM 0 HA LYS A 18 -13.700 1.830 2.123 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -14.074 -1.165 1.813 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -14.683 -0.151 3.106 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -16.079 1.110 1.435 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -15.495 0.051 0.167 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -17.643 -0.799 0.821 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -16.455 -1.917 1.461 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -16.645 -0.908 3.705 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -17.723 0.331 3.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -18.939 -1.441 4.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -19.316 -1.386 2.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -18.272 -2.586 3.095 1.00 0.00 H new ATOM 314 N ALA A 22 -4.375 3.394 4.489 1.00 0.00 N ATOM 315 CA ALA A 22 -3.710 3.839 3.276 1.00 0.00 C ATOM 316 C ALA A 22 -3.318 2.614 2.453 1.00 0.00 C ATOM 317 O ALA A 22 -2.508 1.803 2.907 1.00 0.00 O ATOM 318 CB ALA A 22 -2.483 4.673 3.655 1.00 0.00 C ATOM 0 HA ALA A 22 -4.373 4.462 2.676 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -1.979 5.011 2.750 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -2.797 5.538 4.239 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -1.798 4.065 4.246 1.00 0.00 H new ATOM 324 N ILE A 23 -3.879 2.488 1.248 1.00 0.00 N ATOM 325 CA ILE A 23 -3.617 1.394 0.327 1.00 0.00 C ATOM 326 C ILE A 23 -2.906 1.962 -0.899 1.00 0.00 C ATOM 327 O ILE A 23 -3.427 2.871 -1.541 1.00 0.00 O ATOM 328 CB ILE A 23 -4.919 0.639 -0.029 1.00 0.00 C ATOM 329 CG1 ILE A 23 -5.257 -0.385 1.068 1.00 0.00 C ATOM 330 CG2 ILE A 23 -4.814 -0.090 -1.375 1.00 0.00 C ATOM 331 CD1 ILE A 23 -6.458 -1.285 0.776 1.00 0.00 C ATOM 0 H ILE A 23 -4.546 3.167 0.881 1.00 0.00 H new ATOM 0 HA ILE A 23 -2.968 0.652 0.793 1.00 0.00 H new ATOM 0 HB ILE A 23 -5.709 1.386 -0.105 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -4.384 -1.016 1.235 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -5.444 0.152 1.998 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -5.751 -0.606 -1.583 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -4.614 0.633 -2.166 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -4.002 -0.816 -1.333 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -6.611 -1.969 1.610 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -7.349 -0.671 0.642 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -6.272 -1.857 -0.133 1.00 0.00 H new ATOM 343 N LEU A 24 -1.740 1.413 -1.246 1.00 0.00 N ATOM 344 CA LEU A 24 -0.998 1.818 -2.435 1.00 0.00 C ATOM 345 C LEU A 24 -1.236 0.757 -3.499 1.00 0.00 C ATOM 346 O LEU A 24 -0.618 -0.303 -3.445 1.00 0.00 O ATOM 347 CB LEU A 24 0.491 1.969 -2.108 1.00 0.00 C ATOM 348 CG LEU A 24 1.312 2.468 -3.310 1.00 0.00 C ATOM 349 CD1 LEU A 24 1.262 3.990 -3.446 1.00 0.00 C ATOM 350 CD2 LEU A 24 2.763 1.986 -3.195 1.00 0.00 C ATOM 0 H LEU A 24 -1.286 0.675 -0.708 1.00 0.00 H new ATOM 0 HA LEU A 24 -1.338 2.788 -2.799 1.00 0.00 H new ATOM 0 HB2 LEU A 24 0.608 2.666 -1.278 1.00 0.00 H new ATOM 0 HB3 LEU A 24 0.886 1.009 -1.776 1.00 0.00 H new ATOM 0 HG LEU A 24 0.865 2.049 -4.212 1.00 0.00 H new ATOM 0 HD11 LEU A 24 1.855 4.298 -4.307 1.00 0.00 H new ATOM 0 HD12 LEU A 24 0.229 4.309 -3.584 1.00 0.00 H new ATOM 0 HD13 LEU A 24 1.666 4.449 -2.544 1.00 0.00 H new ATOM 0 HD21 LEU A 24 3.335 2.345 -4.051 1.00 0.00 H new ATOM 0 HD22 LEU A 24 3.203 2.373 -2.276 1.00 0.00 H new ATOM 0 HD23 LEU A 24 2.784 0.896 -3.176 1.00 0.00 H new ATOM 362 N VAL A 25 -2.113 1.033 -4.463 1.00 0.00 N ATOM 363 CA VAL A 25 -2.403 0.090 -5.530 1.00 0.00 C ATOM 364 C VAL A 25 -1.405 0.269 -6.664 1.00 0.00 C ATOM 365 O VAL A 25 -1.363 1.329 -7.297 1.00 0.00 O ATOM 366 CB VAL A 25 -3.831 0.243 -6.073 1.00 0.00 C ATOM 367 CG1 VAL A 25 -4.091 -0.883 -7.083 1.00 0.00 C ATOM 368 CG2 VAL A 25 -4.889 0.178 -4.970 1.00 0.00 C ATOM 0 H VAL A 25 -2.635 1.907 -4.523 1.00 0.00 H new ATOM 0 HA VAL A 25 -2.317 -0.911 -5.108 1.00 0.00 H new ATOM 0 HB VAL A 25 -3.908 1.225 -6.540 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -5.102 -0.790 -7.479 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -3.373 -0.812 -7.900 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -3.983 -1.848 -6.588 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -5.880 0.292 -5.409 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -4.826 -0.784 -4.461 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -4.716 0.980 -4.252 1.00 0.00 H new ATOM 378 N ASP A 26 -0.641 -0.788 -6.944 1.00 0.00 N ATOM 379 CA ASP A 26 0.280 -0.836 -8.056 1.00 0.00 C ATOM 380 C ASP A 26 -0.386 -1.560 -9.224 1.00 0.00 C ATOM 381 O ASP A 26 -0.682 -2.752 -9.132 1.00 0.00 O ATOM 382 CB ASP A 26 1.597 -1.501 -7.668 1.00 0.00 C ATOM 383 CG ASP A 26 2.461 -1.749 -8.902 1.00 0.00 C ATOM 384 OD1 ASP A 26 2.994 -2.844 -9.056 1.00 0.00 O ATOM 385 OD2 ASP A 26 2.598 -0.754 -9.826 1.00 0.00 O ATOM 0 H ASP A 26 -0.653 -1.644 -6.389 1.00 0.00 H new ATOM 0 HA ASP A 26 0.524 0.183 -8.357 1.00 0.00 H new ATOM 0 HB2 ASP A 26 2.135 -0.868 -6.962 1.00 0.00 H new ATOM 0 HB3 ASP A 26 1.398 -2.446 -7.162 1.00 0.00 H new ATOM 391 N PHE A 27 -0.596 -0.859 -10.334 1.00 0.00 N ATOM 392 CA PHE A 27 -1.198 -1.440 -11.524 1.00 0.00 C ATOM 393 C PHE A 27 -0.062 -1.976 -12.389 1.00 0.00 C ATOM 394 O PHE A 27 0.827 -1.204 -12.750 1.00 0.00 O ATOM 395 CB PHE A 27 -2.043 -0.397 -12.259 1.00 0.00 C ATOM 396 CG PHE A 27 -3.273 0.051 -11.482 1.00 0.00 C ATOM 397 CD1 PHE A 27 -3.139 0.864 -10.342 1.00 0.00 C ATOM 398 CD2 PHE A 27 -4.558 -0.338 -11.906 1.00 0.00 C ATOM 399 CE1 PHE A 27 -4.279 1.277 -9.632 1.00 0.00 C ATOM 400 CE2 PHE A 27 -5.696 0.091 -11.200 1.00 0.00 C ATOM 401 CZ PHE A 27 -5.559 0.904 -10.065 1.00 0.00 C ATOM 0 H PHE A 27 -0.353 0.127 -10.431 1.00 0.00 H new ATOM 0 HA PHE A 27 -1.875 -2.255 -11.268 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -1.423 0.473 -12.475 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -2.359 -0.808 -13.217 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -2.158 1.171 -10.012 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -4.670 -0.968 -12.776 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -4.168 1.886 -8.747 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -6.679 -0.207 -11.533 1.00 0.00 H new ATOM 0 HZ PHE A 27 -6.434 1.240 -9.528 1.00 0.00 H new ATOM 411 N TRP A 28 -0.081 -3.280 -12.687 1.00 0.00 N ATOM 412 CA TRP A 28 0.959 -3.955 -13.456 1.00 0.00 C ATOM 413 C TRP A 28 0.363 -4.889 -14.509 1.00 0.00 C ATOM 414 O TRP A 28 -0.855 -5.034 -14.600 1.00 0.00 O ATOM 415 CB TRP A 28 1.880 -4.723 -12.492 1.00 0.00 C ATOM 416 CG TRP A 28 1.251 -5.873 -11.768 1.00 0.00 C ATOM 417 CD1 TRP A 28 0.481 -5.789 -10.663 1.00 0.00 C ATOM 418 CD2 TRP A 28 1.297 -7.290 -12.108 1.00 0.00 C ATOM 419 NE1 TRP A 28 0.022 -7.046 -10.325 1.00 0.00 N ATOM 420 CE2 TRP A 28 0.478 -8.010 -11.192 1.00 0.00 C ATOM 421 CE3 TRP A 28 1.968 -8.044 -13.088 1.00 0.00 C ATOM 422 CZ2 TRP A 28 0.292 -9.400 -11.276 1.00 0.00 C ATOM 423 CZ3 TRP A 28 1.749 -9.428 -13.212 1.00 0.00 C ATOM 424 CH2 TRP A 28 0.895 -10.103 -12.331 1.00 0.00 C ATOM 0 H TRP A 28 -0.834 -3.902 -12.394 1.00 0.00 H new ATOM 0 HA TRP A 28 1.542 -3.207 -13.993 1.00 0.00 H new ATOM 0 HB2 TRP A 28 2.735 -5.097 -13.056 1.00 0.00 H new ATOM 0 HB3 TRP A 28 2.268 -4.021 -11.753 1.00 0.00 H new ATOM 0 HD1 TRP A 28 0.258 -4.879 -10.126 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -0.584 -7.237 -9.527 1.00 0.00 H new ATOM 0 HE3 TRP A 28 2.661 -7.553 -13.755 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -0.305 -9.919 -10.541 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 2.246 -9.978 -13.997 1.00 0.00 H new ATOM 0 HH2 TRP A 28 0.702 -11.157 -12.462 1.00 0.00 H new ATOM 435 N ALA A 29 1.234 -5.536 -15.288 1.00 0.00 N ATOM 436 CA ALA A 29 0.887 -6.510 -16.315 1.00 0.00 C ATOM 437 C ALA A 29 2.017 -7.530 -16.410 1.00 0.00 C ATOM 438 O ALA A 29 3.171 -7.200 -16.149 1.00 0.00 O ATOM 439 CB ALA A 29 0.694 -5.817 -17.664 1.00 0.00 C ATOM 0 H ALA A 29 2.240 -5.386 -15.214 1.00 0.00 H new ATOM 0 HA ALA A 29 -0.047 -7.006 -16.052 1.00 0.00 H new ATOM 0 HB1 ALA A 29 0.435 -6.558 -18.420 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -0.109 -5.084 -17.585 1.00 0.00 H new ATOM 0 HB3 ALA A 29 1.618 -5.314 -17.950 1.00 0.00 H new ATOM 445 N GLU A 30 1.702 -8.766 -16.791 1.00 0.00 N ATOM 446 CA GLU A 30 2.664 -9.859 -16.883 1.00 0.00 C ATOM 447 C GLU A 30 3.850 -9.518 -17.793 1.00 0.00 C ATOM 448 O GLU A 30 4.984 -9.881 -17.499 1.00 0.00 O ATOM 449 CB GLU A 30 1.920 -11.130 -17.305 1.00 0.00 C ATOM 450 CG GLU A 30 0.885 -11.548 -16.247 1.00 0.00 C ATOM 451 CD GLU A 30 -0.225 -12.395 -16.858 1.00 0.00 C ATOM 452 OE1 GLU A 30 0.077 -13.548 -17.232 1.00 0.00 O ATOM 453 OE2 GLU A 30 -1.355 -11.862 -16.945 1.00 0.00 O ATOM 0 H GLU A 30 0.754 -9.040 -17.049 1.00 0.00 H new ATOM 0 HA GLU A 30 3.115 -10.031 -15.906 1.00 0.00 H new ATOM 0 HB2 GLU A 30 1.421 -10.962 -18.259 1.00 0.00 H new ATOM 0 HB3 GLU A 30 2.635 -11.939 -17.457 1.00 0.00 H new ATOM 0 HG2 GLU A 30 1.379 -12.110 -15.455 1.00 0.00 H new ATOM 0 HG3 GLU A 30 0.454 -10.659 -15.786 1.00 0.00 H new ATOM 460 N TRP A 31 3.583 -8.798 -18.881 1.00 0.00 N ATOM 461 CA TRP A 31 4.591 -8.365 -19.845 1.00 0.00 C ATOM 462 C TRP A 31 5.310 -7.079 -19.408 1.00 0.00 C ATOM 463 O TRP A 31 6.250 -6.638 -20.072 1.00 0.00 O ATOM 464 CB TRP A 31 3.900 -8.178 -21.203 1.00 0.00 C ATOM 465 CG TRP A 31 2.648 -7.348 -21.179 1.00 0.00 C ATOM 466 CD1 TRP A 31 1.391 -7.834 -21.075 1.00 0.00 C ATOM 467 CD2 TRP A 31 2.509 -5.894 -21.212 1.00 0.00 C ATOM 468 NE1 TRP A 31 0.492 -6.794 -21.022 1.00 0.00 N ATOM 469 CE2 TRP A 31 1.123 -5.570 -21.118 1.00 0.00 C ATOM 470 CE3 TRP A 31 3.413 -4.811 -21.301 1.00 0.00 C ATOM 471 CZ2 TRP A 31 0.658 -4.248 -21.116 1.00 0.00 C ATOM 472 CZ3 TRP A 31 2.956 -3.480 -21.303 1.00 0.00 C ATOM 473 CH2 TRP A 31 1.581 -3.197 -21.222 1.00 0.00 C ATOM 0 H TRP A 31 2.640 -8.493 -19.121 1.00 0.00 H new ATOM 0 HA TRP A 31 5.366 -9.128 -19.914 1.00 0.00 H new ATOM 0 HB2 TRP A 31 4.608 -7.717 -21.892 1.00 0.00 H new ATOM 0 HB3 TRP A 31 3.657 -9.161 -21.606 1.00 0.00 H new ATOM 0 HD1 TRP A 31 1.131 -8.882 -21.039 1.00 0.00 H new ATOM 0 HE1 TRP A 31 -0.516 -6.913 -20.924 1.00 0.00 H new ATOM 0 HE3 TRP A 31 4.473 -5.008 -21.369 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 -0.399 -4.041 -21.034 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 3.667 -2.670 -21.367 1.00 0.00 H new ATOM 0 HH2 TRP A 31 1.237 -2.174 -21.241 1.00 0.00 H new ATOM 484 N CYS A 32 4.891 -6.449 -18.308 1.00 0.00 N ATOM 485 CA CYS A 32 5.477 -5.192 -17.865 1.00 0.00 C ATOM 486 C CYS A 32 6.802 -5.413 -17.133 1.00 0.00 C ATOM 487 O CYS A 32 6.857 -5.415 -15.903 1.00 0.00 O ATOM 488 CB CYS A 32 4.486 -4.441 -16.983 1.00 0.00 C ATOM 489 SG CYS A 32 5.100 -2.867 -16.361 1.00 0.00 S ATOM 0 H CYS A 32 4.143 -6.796 -17.708 1.00 0.00 H new ATOM 0 HA CYS A 32 5.695 -4.589 -18.746 1.00 0.00 H new ATOM 0 HB2 CYS A 32 3.573 -4.263 -17.551 1.00 0.00 H new ATOM 0 HB3 CYS A 32 4.217 -5.074 -16.137 1.00 0.00 H new ATOM 494 N GLY A 33 7.883 -5.579 -17.899 1.00 0.00 N ATOM 495 CA GLY A 33 9.236 -5.738 -17.372 1.00 0.00 C ATOM 496 C GLY A 33 9.525 -4.781 -16.204 1.00 0.00 C ATOM 497 O GLY A 33 9.852 -5.237 -15.110 1.00 0.00 O ATOM 0 H GLY A 33 7.840 -5.607 -18.918 1.00 0.00 H new ATOM 0 HA2 GLY A 33 9.375 -6.766 -17.039 1.00 0.00 H new ATOM 0 HA3 GLY A 33 9.957 -5.561 -18.170 1.00 0.00 H new ATOM 501 N PRO A 34 9.394 -3.457 -16.394 1.00 0.00 N ATOM 502 CA PRO A 34 9.604 -2.478 -15.334 1.00 0.00 C ATOM 503 C PRO A 34 8.789 -2.770 -14.068 1.00 0.00 C ATOM 504 O PRO A 34 9.281 -2.579 -12.957 1.00 0.00 O ATOM 505 CB PRO A 34 9.234 -1.123 -15.948 1.00 0.00 C ATOM 506 CG PRO A 34 9.472 -1.338 -17.442 1.00 0.00 C ATOM 507 CD PRO A 34 9.041 -2.792 -17.637 1.00 0.00 C ATOM 0 HA PRO A 34 10.639 -2.503 -14.993 1.00 0.00 H new ATOM 0 HB2 PRO A 34 8.198 -0.856 -15.740 1.00 0.00 H new ATOM 0 HB3 PRO A 34 9.855 -0.319 -15.553 1.00 0.00 H new ATOM 0 HG2 PRO A 34 8.880 -0.654 -18.050 1.00 0.00 H new ATOM 0 HG3 PRO A 34 10.516 -1.184 -17.713 1.00 0.00 H new ATOM 0 HD2 PRO A 34 7.971 -2.864 -17.833 1.00 0.00 H new ATOM 0 HD3 PRO A 34 9.552 -3.245 -18.486 1.00 0.00 H new ATOM 515 N CYS A 35 7.557 -3.266 -14.223 1.00 0.00 N ATOM 516 CA CYS A 35 6.707 -3.610 -13.091 1.00 0.00 C ATOM 517 C CYS A 35 7.375 -4.747 -12.324 1.00 0.00 C ATOM 518 O CYS A 35 7.523 -4.684 -11.104 1.00 0.00 O ATOM 519 CB CYS A 35 5.284 -4.017 -13.496 1.00 0.00 C ATOM 520 SG CYS A 35 4.280 -2.848 -14.453 1.00 0.00 S ATOM 0 H CYS A 35 7.128 -3.437 -15.132 1.00 0.00 H new ATOM 0 HA CYS A 35 6.599 -2.719 -12.472 1.00 0.00 H new ATOM 0 HB2 CYS A 35 5.356 -4.939 -14.072 1.00 0.00 H new ATOM 0 HB3 CYS A 35 4.736 -4.253 -12.584 1.00 0.00 H new ATOM 525 N LYS A 36 7.815 -5.777 -13.056 1.00 0.00 N ATOM 526 CA LYS A 36 8.526 -6.902 -12.467 1.00 0.00 C ATOM 527 C LYS A 36 9.776 -6.399 -11.742 1.00 0.00 C ATOM 528 O LYS A 36 10.059 -6.840 -10.632 1.00 0.00 O ATOM 529 CB LYS A 36 8.894 -7.953 -13.525 1.00 0.00 C ATOM 530 CG LYS A 36 7.695 -8.506 -14.308 1.00 0.00 C ATOM 531 CD LYS A 36 6.748 -9.306 -13.408 1.00 0.00 C ATOM 532 CE LYS A 36 5.655 -9.964 -14.253 1.00 0.00 C ATOM 533 NZ LYS A 36 4.796 -10.832 -13.430 1.00 0.00 N ATOM 0 H LYS A 36 7.686 -5.848 -14.065 1.00 0.00 H new ATOM 0 HA LYS A 36 7.866 -7.387 -11.747 1.00 0.00 H new ATOM 0 HB2 LYS A 36 9.600 -7.512 -14.228 1.00 0.00 H new ATOM 0 HB3 LYS A 36 9.407 -8.781 -13.035 1.00 0.00 H new ATOM 0 HG2 LYS A 36 7.150 -7.682 -14.768 1.00 0.00 H new ATOM 0 HG3 LYS A 36 8.052 -9.143 -15.117 1.00 0.00 H new ATOM 0 HD2 LYS A 36 7.307 -10.068 -12.864 1.00 0.00 H new ATOM 0 HD3 LYS A 36 6.298 -8.649 -12.664 1.00 0.00 H new ATOM 0 HE2 LYS A 36 5.048 -9.195 -14.730 1.00 0.00 H new ATOM 0 HE3 LYS A 36 6.112 -10.550 -15.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 4.626 -11.728 -13.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 5.266 -11.026 -12.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 3.888 -10.356 -13.254 1.00 0.00 H new ATOM 547 N MET A 37 10.518 -5.470 -12.355 1.00 0.00 N ATOM 548 CA MET A 37 11.713 -4.908 -11.735 1.00 0.00 C ATOM 549 C MET A 37 11.383 -4.193 -10.418 1.00 0.00 C ATOM 550 O MET A 37 12.098 -4.390 -9.438 1.00 0.00 O ATOM 551 CB MET A 37 12.484 -4.006 -12.709 1.00 0.00 C ATOM 552 CG MET A 37 13.101 -4.819 -13.856 1.00 0.00 C ATOM 553 SD MET A 37 14.391 -3.983 -14.819 1.00 0.00 S ATOM 554 CE MET A 37 13.461 -2.626 -15.562 1.00 0.00 C ATOM 0 H MET A 37 10.308 -5.094 -13.280 1.00 0.00 H new ATOM 0 HA MET A 37 12.374 -5.738 -11.485 1.00 0.00 H new ATOM 0 HB2 MET A 37 11.812 -3.250 -13.117 1.00 0.00 H new ATOM 0 HB3 MET A 37 13.271 -3.477 -12.172 1.00 0.00 H new ATOM 0 HG2 MET A 37 13.522 -5.735 -13.441 1.00 0.00 H new ATOM 0 HG3 MET A 37 12.302 -5.115 -14.536 1.00 0.00 H new ATOM 0 HE1 MET A 37 14.126 -2.026 -16.183 1.00 0.00 H new ATOM 0 HE2 MET A 37 12.657 -3.030 -16.177 1.00 0.00 H new ATOM 0 HE3 MET A 37 13.037 -2.002 -14.775 1.00 0.00 H new ATOM 564 N ILE A 38 10.325 -3.373 -10.363 1.00 0.00 N ATOM 565 CA ILE A 38 9.987 -2.700 -9.106 1.00 0.00 C ATOM 566 C ILE A 38 9.345 -3.649 -8.086 1.00 0.00 C ATOM 567 O ILE A 38 9.465 -3.402 -6.890 1.00 0.00 O ATOM 568 CB ILE A 38 9.179 -1.402 -9.297 1.00 0.00 C ATOM 569 CG1 ILE A 38 7.766 -1.660 -9.836 1.00 0.00 C ATOM 570 CG2 ILE A 38 9.952 -0.412 -10.178 1.00 0.00 C ATOM 571 CD1 ILE A 38 6.875 -0.417 -9.771 1.00 0.00 C ATOM 0 H ILE A 38 9.707 -3.165 -11.148 1.00 0.00 H new ATOM 0 HA ILE A 38 10.940 -2.385 -8.682 1.00 0.00 H new ATOM 0 HB ILE A 38 9.047 -0.953 -8.312 1.00 0.00 H new ATOM 0 HG12 ILE A 38 7.832 -2.002 -10.869 1.00 0.00 H new ATOM 0 HG13 ILE A 38 7.304 -2.464 -9.263 1.00 0.00 H new ATOM 0 HG21 ILE A 38 9.366 0.499 -10.302 1.00 0.00 H new ATOM 0 HG22 ILE A 38 10.903 -0.170 -9.705 1.00 0.00 H new ATOM 0 HG23 ILE A 38 10.136 -0.861 -11.154 1.00 0.00 H new ATOM 0 HD11 ILE A 38 5.887 -0.656 -10.165 1.00 0.00 H new ATOM 0 HD12 ILE A 38 6.783 -0.089 -8.736 1.00 0.00 H new ATOM 0 HD13 ILE A 38 7.319 0.381 -10.366 1.00 0.00 H new ATOM 583 N ALA A 39 8.660 -4.717 -8.516 1.00 0.00 N ATOM 584 CA ALA A 39 8.005 -5.682 -7.625 1.00 0.00 C ATOM 585 C ALA A 39 8.770 -5.977 -6.317 1.00 0.00 C ATOM 586 O ALA A 39 8.207 -5.740 -5.247 1.00 0.00 O ATOM 587 CB ALA A 39 7.621 -6.956 -8.382 1.00 0.00 C ATOM 0 H ALA A 39 8.544 -4.937 -9.505 1.00 0.00 H new ATOM 0 HA ALA A 39 7.089 -5.197 -7.288 1.00 0.00 H new ATOM 0 HB1 ALA A 39 7.138 -7.654 -7.698 1.00 0.00 H new ATOM 0 HB2 ALA A 39 6.934 -6.706 -9.191 1.00 0.00 H new ATOM 0 HB3 ALA A 39 8.517 -7.417 -8.797 1.00 0.00 H new ATOM 593 N PRO A 40 10.030 -6.456 -6.341 1.00 0.00 N ATOM 594 CA PRO A 40 10.801 -6.696 -5.125 1.00 0.00 C ATOM 595 C PRO A 40 10.913 -5.443 -4.250 1.00 0.00 C ATOM 596 O PRO A 40 10.832 -5.540 -3.027 1.00 0.00 O ATOM 597 CB PRO A 40 12.173 -7.206 -5.581 1.00 0.00 C ATOM 598 CG PRO A 40 12.284 -6.713 -7.022 1.00 0.00 C ATOM 599 CD PRO A 40 10.837 -6.788 -7.503 1.00 0.00 C ATOM 0 HA PRO A 40 10.303 -7.431 -4.492 1.00 0.00 H new ATOM 0 HB2 PRO A 40 12.975 -6.808 -4.959 1.00 0.00 H new ATOM 0 HB3 PRO A 40 12.235 -8.293 -5.524 1.00 0.00 H new ATOM 0 HG2 PRO A 40 12.678 -5.698 -7.076 1.00 0.00 H new ATOM 0 HG3 PRO A 40 12.944 -7.343 -7.618 1.00 0.00 H new ATOM 0 HD2 PRO A 40 10.657 -6.089 -8.320 1.00 0.00 H new ATOM 0 HD3 PRO A 40 10.598 -7.784 -7.877 1.00 0.00 H new ATOM 607 N ILE A 41 11.053 -4.259 -4.859 1.00 0.00 N ATOM 608 CA ILE A 41 11.092 -3.008 -4.114 1.00 0.00 C ATOM 609 C ILE A 41 9.747 -2.860 -3.404 1.00 0.00 C ATOM 610 O ILE A 41 9.715 -2.648 -2.196 1.00 0.00 O ATOM 611 CB ILE A 41 11.390 -1.789 -5.015 1.00 0.00 C ATOM 612 CG1 ILE A 41 12.657 -2.001 -5.864 1.00 0.00 C ATOM 613 CG2 ILE A 41 11.535 -0.537 -4.137 1.00 0.00 C ATOM 614 CD1 ILE A 41 12.936 -0.828 -6.812 1.00 0.00 C ATOM 0 H ILE A 41 11.141 -4.148 -5.869 1.00 0.00 H new ATOM 0 HA ILE A 41 11.909 -3.039 -3.393 1.00 0.00 H new ATOM 0 HB ILE A 41 10.558 -1.661 -5.708 1.00 0.00 H new ATOM 0 HG12 ILE A 41 13.513 -2.141 -5.204 1.00 0.00 H new ATOM 0 HG13 ILE A 41 12.551 -2.916 -6.446 1.00 0.00 H new ATOM 0 HG21 ILE A 41 11.746 0.327 -4.767 1.00 0.00 H new ATOM 0 HG22 ILE A 41 10.609 -0.368 -3.588 1.00 0.00 H new ATOM 0 HG23 ILE A 41 12.354 -0.680 -3.432 1.00 0.00 H new ATOM 0 HD11 ILE A 41 13.840 -1.031 -7.386 1.00 0.00 H new ATOM 0 HD12 ILE A 41 12.094 -0.703 -7.493 1.00 0.00 H new ATOM 0 HD13 ILE A 41 13.072 0.085 -6.232 1.00 0.00 H new ATOM 626 N LEU A 42 8.641 -3.000 -4.143 1.00 0.00 N ATOM 627 CA LEU A 42 7.304 -2.906 -3.566 1.00 0.00 C ATOM 628 C LEU A 42 7.147 -3.894 -2.406 1.00 0.00 C ATOM 629 O LEU A 42 6.584 -3.543 -1.374 1.00 0.00 O ATOM 630 CB LEU A 42 6.207 -3.111 -4.619 1.00 0.00 C ATOM 631 CG LEU A 42 6.296 -2.169 -5.830 1.00 0.00 C ATOM 632 CD1 LEU A 42 5.102 -2.421 -6.752 1.00 0.00 C ATOM 633 CD2 LEU A 42 6.316 -0.693 -5.416 1.00 0.00 C ATOM 0 H LEU A 42 8.651 -3.180 -5.147 1.00 0.00 H new ATOM 0 HA LEU A 42 7.185 -1.895 -3.177 1.00 0.00 H new ATOM 0 HB2 LEU A 42 6.250 -4.141 -4.973 1.00 0.00 H new ATOM 0 HB3 LEU A 42 5.236 -2.978 -4.143 1.00 0.00 H new ATOM 0 HG LEU A 42 7.233 -2.379 -6.346 1.00 0.00 H new ATOM 0 HD11 LEU A 42 5.160 -1.755 -7.613 1.00 0.00 H new ATOM 0 HD12 LEU A 42 5.117 -3.456 -7.092 1.00 0.00 H new ATOM 0 HD13 LEU A 42 4.176 -2.231 -6.209 1.00 0.00 H new ATOM 0 HD21 LEU A 42 6.380 -0.066 -6.306 1.00 0.00 H new ATOM 0 HD22 LEU A 42 5.403 -0.456 -4.870 1.00 0.00 H new ATOM 0 HD23 LEU A 42 7.180 -0.506 -4.778 1.00 0.00 H new ATOM 645 N ASP A 43 7.650 -5.122 -2.557 1.00 0.00 N ATOM 646 CA ASP A 43 7.589 -6.124 -1.497 1.00 0.00 C ATOM 647 C ASP A 43 8.341 -5.618 -0.264 1.00 0.00 C ATOM 648 O ASP A 43 7.810 -5.606 0.845 1.00 0.00 O ATOM 649 CB ASP A 43 8.167 -7.464 -1.977 1.00 0.00 C ATOM 650 CG ASP A 43 7.363 -8.098 -3.110 1.00 0.00 C ATOM 651 OD1 ASP A 43 6.124 -8.158 -2.967 1.00 0.00 O ATOM 652 OD2 ASP A 43 8.003 -8.536 -4.090 1.00 0.00 O ATOM 0 H ASP A 43 8.106 -5.445 -3.410 1.00 0.00 H new ATOM 0 HA ASP A 43 6.545 -6.290 -1.230 1.00 0.00 H new ATOM 0 HB2 ASP A 43 9.193 -7.310 -2.311 1.00 0.00 H new ATOM 0 HB3 ASP A 43 8.206 -8.157 -1.136 1.00 0.00 H new ATOM 657 N GLU A 44 9.588 -5.181 -0.453 1.00 0.00 N ATOM 658 CA GLU A 44 10.403 -4.668 0.641 1.00 0.00 C ATOM 659 C GLU A 44 9.690 -3.492 1.331 1.00 0.00 C ATOM 660 O GLU A 44 9.610 -3.433 2.556 1.00 0.00 O ATOM 661 CB GLU A 44 11.803 -4.316 0.111 1.00 0.00 C ATOM 662 CG GLU A 44 12.901 -4.649 1.128 1.00 0.00 C ATOM 663 CD GLU A 44 12.789 -3.827 2.406 1.00 0.00 C ATOM 664 OE1 GLU A 44 12.947 -2.594 2.290 1.00 0.00 O ATOM 665 OE2 GLU A 44 12.548 -4.445 3.464 1.00 0.00 O ATOM 0 H GLU A 44 10.054 -5.174 -1.360 1.00 0.00 H new ATOM 0 HA GLU A 44 10.536 -5.430 1.409 1.00 0.00 H new ATOM 0 HB2 GLU A 44 11.988 -4.861 -0.814 1.00 0.00 H new ATOM 0 HB3 GLU A 44 11.843 -3.254 -0.131 1.00 0.00 H new ATOM 0 HG2 GLU A 44 12.850 -5.709 1.377 1.00 0.00 H new ATOM 0 HG3 GLU A 44 13.876 -4.475 0.673 1.00 0.00 H new ATOM 672 N ILE A 45 9.133 -2.574 0.538 1.00 0.00 N ATOM 673 CA ILE A 45 8.358 -1.443 1.035 1.00 0.00 C ATOM 674 C ILE A 45 7.177 -1.962 1.857 1.00 0.00 C ATOM 675 O ILE A 45 6.932 -1.470 2.956 1.00 0.00 O ATOM 676 CB ILE A 45 7.899 -0.566 -0.142 1.00 0.00 C ATOM 677 CG1 ILE A 45 9.080 0.143 -0.827 1.00 0.00 C ATOM 678 CG2 ILE A 45 6.813 0.446 0.248 1.00 0.00 C ATOM 679 CD1 ILE A 45 9.623 1.363 -0.081 1.00 0.00 C ATOM 0 H ILE A 45 9.210 -2.599 -0.479 1.00 0.00 H new ATOM 0 HA ILE A 45 8.974 -0.821 1.685 1.00 0.00 H new ATOM 0 HB ILE A 45 7.451 -1.253 -0.860 1.00 0.00 H new ATOM 0 HG12 ILE A 45 9.890 -0.575 -0.956 1.00 0.00 H new ATOM 0 HG13 ILE A 45 8.768 0.455 -1.824 1.00 0.00 H new ATOM 0 HG21 ILE A 45 6.533 1.034 -0.626 1.00 0.00 H new ATOM 0 HG22 ILE A 45 5.939 -0.085 0.624 1.00 0.00 H new ATOM 0 HG23 ILE A 45 7.196 1.109 1.024 1.00 0.00 H new ATOM 0 HD11 ILE A 45 10.452 1.793 -0.642 1.00 0.00 H new ATOM 0 HD12 ILE A 45 8.833 2.106 0.025 1.00 0.00 H new ATOM 0 HD13 ILE A 45 9.972 1.060 0.906 1.00 0.00 H new ATOM 691 N ALA A 46 6.447 -2.957 1.338 1.00 0.00 N ATOM 692 CA ALA A 46 5.314 -3.555 2.032 1.00 0.00 C ATOM 693 C ALA A 46 5.745 -3.989 3.429 1.00 0.00 C ATOM 694 O ALA A 46 5.049 -3.702 4.398 1.00 0.00 O ATOM 695 CB ALA A 46 4.728 -4.723 1.233 1.00 0.00 C ATOM 0 H ALA A 46 6.631 -3.367 0.422 1.00 0.00 H new ATOM 0 HA ALA A 46 4.523 -2.811 2.128 1.00 0.00 H new ATOM 0 HB1 ALA A 46 3.884 -5.149 1.776 1.00 0.00 H new ATOM 0 HB2 ALA A 46 4.390 -4.365 0.260 1.00 0.00 H new ATOM 0 HB3 ALA A 46 5.492 -5.488 1.093 1.00 0.00 H new ATOM 701 N ASP A 47 6.905 -4.645 3.534 1.00 0.00 N ATOM 702 CA ASP A 47 7.439 -5.039 4.830 1.00 0.00 C ATOM 703 C ASP A 47 7.737 -3.801 5.686 1.00 0.00 C ATOM 704 O ASP A 47 7.182 -3.655 6.774 1.00 0.00 O ATOM 705 CB ASP A 47 8.678 -5.921 4.651 1.00 0.00 C ATOM 706 CG ASP A 47 9.253 -6.334 6.001 1.00 0.00 C ATOM 707 OD1 ASP A 47 8.759 -7.347 6.541 1.00 0.00 O ATOM 708 OD2 ASP A 47 10.168 -5.625 6.472 1.00 0.00 O ATOM 0 H ASP A 47 7.485 -4.911 2.738 1.00 0.00 H new ATOM 0 HA ASP A 47 6.690 -5.629 5.358 1.00 0.00 H new ATOM 0 HB2 ASP A 47 8.417 -6.809 4.076 1.00 0.00 H new ATOM 0 HB3 ASP A 47 9.433 -5.382 4.079 1.00 0.00 H new ATOM 713 N GLU A 48 8.607 -2.906 5.204 1.00 0.00 N ATOM 714 CA GLU A 48 9.011 -1.707 5.929 1.00 0.00 C ATOM 715 C GLU A 48 7.831 -0.910 6.492 1.00 0.00 C ATOM 716 O GLU A 48 7.856 -0.494 7.650 1.00 0.00 O ATOM 717 CB GLU A 48 9.838 -0.801 5.011 1.00 0.00 C ATOM 718 CG GLU A 48 11.265 -1.308 4.785 1.00 0.00 C ATOM 719 CD GLU A 48 12.086 -0.304 3.975 1.00 0.00 C ATOM 720 OE1 GLU A 48 11.516 0.275 3.024 1.00 0.00 O ATOM 721 OE2 GLU A 48 13.267 -0.106 4.333 1.00 0.00 O ATOM 0 H GLU A 48 9.052 -2.999 4.291 1.00 0.00 H new ATOM 0 HA GLU A 48 9.604 -2.045 6.779 1.00 0.00 H new ATOM 0 HB2 GLU A 48 9.334 -0.714 4.048 1.00 0.00 H new ATOM 0 HB3 GLU A 48 9.879 0.200 5.441 1.00 0.00 H new ATOM 0 HG2 GLU A 48 11.747 -1.485 5.746 1.00 0.00 H new ATOM 0 HG3 GLU A 48 11.236 -2.264 4.262 1.00 0.00 H new ATOM 728 N TYR A 49 6.821 -0.662 5.663 1.00 0.00 N ATOM 729 CA TYR A 49 5.663 0.143 6.029 1.00 0.00 C ATOM 730 C TYR A 49 4.498 -0.715 6.545 1.00 0.00 C ATOM 731 O TYR A 49 3.381 -0.203 6.633 1.00 0.00 O ATOM 732 CB TYR A 49 5.237 1.021 4.836 1.00 0.00 C ATOM 733 CG TYR A 49 6.208 2.119 4.415 1.00 0.00 C ATOM 734 CD1 TYR A 49 7.434 1.792 3.813 1.00 0.00 C ATOM 735 CD2 TYR A 49 5.833 3.476 4.512 1.00 0.00 C ATOM 736 CE1 TYR A 49 8.317 2.801 3.399 1.00 0.00 C ATOM 737 CE2 TYR A 49 6.703 4.490 4.063 1.00 0.00 C ATOM 738 CZ TYR A 49 7.957 4.149 3.527 1.00 0.00 C ATOM 739 OH TYR A 49 8.831 5.111 3.113 1.00 0.00 O ATOM 0 H TYR A 49 6.785 -1.019 4.708 1.00 0.00 H new ATOM 0 HA TYR A 49 5.951 0.792 6.856 1.00 0.00 H new ATOM 0 HB2 TYR A 49 5.066 0.370 3.978 1.00 0.00 H new ATOM 0 HB3 TYR A 49 4.282 1.486 5.079 1.00 0.00 H new ATOM 0 HD1 TYR A 49 7.699 0.755 3.667 1.00 0.00 H new ATOM 0 HD2 TYR A 49 4.874 3.739 4.933 1.00 0.00 H new ATOM 0 HE1 TYR A 49 9.277 2.538 2.980 1.00 0.00 H new ATOM 0 HE2 TYR A 49 6.407 5.526 4.131 1.00 0.00 H new ATOM 0 HH TYR A 49 8.353 5.779 2.578 1.00 0.00 H new ATOM 749 N GLN A 50 4.723 -1.989 6.899 1.00 0.00 N ATOM 750 CA GLN A 50 3.679 -2.887 7.385 1.00 0.00 C ATOM 751 C GLN A 50 3.034 -2.355 8.671 1.00 0.00 C ATOM 752 O GLN A 50 3.464 -2.689 9.774 1.00 0.00 O ATOM 753 CB GLN A 50 4.268 -4.289 7.606 1.00 0.00 C ATOM 754 CG GLN A 50 3.189 -5.307 8.010 1.00 0.00 C ATOM 755 CD GLN A 50 3.587 -6.105 9.248 1.00 0.00 C ATOM 756 OE1 GLN A 50 3.715 -7.322 9.196 1.00 0.00 O ATOM 757 NE2 GLN A 50 3.792 -5.420 10.369 1.00 0.00 N ATOM 0 H GLN A 50 5.645 -2.423 6.854 1.00 0.00 H new ATOM 0 HA GLN A 50 2.893 -2.944 6.632 1.00 0.00 H new ATOM 0 HB2 GLN A 50 4.760 -4.624 6.693 1.00 0.00 H new ATOM 0 HB3 GLN A 50 5.033 -4.243 8.381 1.00 0.00 H new ATOM 0 HG2 GLN A 50 2.252 -4.784 8.202 1.00 0.00 H new ATOM 0 HG3 GLN A 50 3.008 -5.991 7.181 1.00 0.00 H new ATOM 0 HE21 GLN A 50 3.676 -4.407 10.376 1.00 0.00 H new ATOM 0 HE22 GLN A 50 4.065 -5.908 11.222 1.00 0.00 H new ATOM 766 N GLY A 51 1.989 -1.541 8.521 1.00 0.00 N ATOM 767 CA GLY A 51 1.254 -0.921 9.615 1.00 0.00 C ATOM 768 C GLY A 51 0.909 0.525 9.267 1.00 0.00 C ATOM 769 O GLY A 51 -0.099 1.050 9.729 1.00 0.00 O ATOM 0 H GLY A 51 1.622 -1.289 7.603 1.00 0.00 H new ATOM 0 HA2 GLY A 51 0.341 -1.482 9.813 1.00 0.00 H new ATOM 0 HA3 GLY A 51 1.851 -0.951 10.527 1.00 0.00 H new ATOM 773 N LYS A 52 1.740 1.159 8.433 1.00 0.00 N ATOM 774 CA LYS A 52 1.559 2.530 7.981 1.00 0.00 C ATOM 775 C LYS A 52 0.937 2.542 6.586 1.00 0.00 C ATOM 776 O LYS A 52 0.115 3.404 6.282 1.00 0.00 O ATOM 777 CB LYS A 52 2.914 3.245 7.946 1.00 0.00 C ATOM 778 CG LYS A 52 3.651 3.151 9.288 1.00 0.00 C ATOM 779 CD LYS A 52 4.806 4.158 9.370 1.00 0.00 C ATOM 780 CE LYS A 52 5.804 4.003 8.215 1.00 0.00 C ATOM 781 NZ LYS A 52 6.990 4.855 8.411 1.00 0.00 N ATOM 0 H LYS A 52 2.575 0.717 8.048 1.00 0.00 H new ATOM 0 HA LYS A 52 0.894 3.047 8.673 1.00 0.00 H new ATOM 0 HB2 LYS A 52 3.533 2.809 7.162 1.00 0.00 H new ATOM 0 HB3 LYS A 52 2.764 4.293 7.688 1.00 0.00 H new ATOM 0 HG2 LYS A 52 2.950 3.334 10.102 1.00 0.00 H new ATOM 0 HG3 LYS A 52 4.038 2.141 9.421 1.00 0.00 H new ATOM 0 HD2 LYS A 52 4.402 5.170 9.364 1.00 0.00 H new ATOM 0 HD3 LYS A 52 5.329 4.030 10.318 1.00 0.00 H new ATOM 0 HE2 LYS A 52 6.112 2.960 8.136 1.00 0.00 H new ATOM 0 HE3 LYS A 52 5.318 4.264 7.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 7.645 4.727 7.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 6.697 5.852 8.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 7.466 4.589 9.296 1.00 0.00 H new ATOM 795 N LEU A 53 1.350 1.599 5.732 1.00 0.00 N ATOM 796 CA LEU A 53 0.891 1.496 4.358 1.00 0.00 C ATOM 797 C LEU A 53 0.561 0.048 4.022 1.00 0.00 C ATOM 798 O LEU A 53 1.285 -0.861 4.424 1.00 0.00 O ATOM 799 CB LEU A 53 2.018 1.975 3.438 1.00 0.00 C ATOM 800 CG LEU A 53 1.604 2.145 1.972 1.00 0.00 C ATOM 801 CD1 LEU A 53 0.745 3.397 1.790 1.00 0.00 C ATOM 802 CD2 LEU A 53 2.879 2.270 1.136 1.00 0.00 C ATOM 0 H LEU A 53 2.024 0.878 5.989 1.00 0.00 H new ATOM 0 HA LEU A 53 -0.004 2.104 4.224 1.00 0.00 H new ATOM 0 HB2 LEU A 53 2.395 2.928 3.810 1.00 0.00 H new ATOM 0 HB3 LEU A 53 2.842 1.263 3.491 1.00 0.00 H new ATOM 0 HG LEU A 53 1.014 1.285 1.655 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.464 3.496 0.742 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -0.154 3.313 2.401 1.00 0.00 H new ATOM 0 HD13 LEU A 53 1.312 4.275 2.098 1.00 0.00 H new ATOM 0 HD21 LEU A 53 2.615 2.392 0.086 1.00 0.00 H new ATOM 0 HD22 LEU A 53 3.450 3.137 1.470 1.00 0.00 H new ATOM 0 HD23 LEU A 53 3.482 1.370 1.256 1.00 0.00 H new ATOM 814 N THR A 54 -0.508 -0.158 3.255 1.00 0.00 N ATOM 815 CA THR A 54 -0.916 -1.462 2.771 1.00 0.00 C ATOM 816 C THR A 54 -0.605 -1.479 1.271 1.00 0.00 C ATOM 817 O THR A 54 -1.300 -0.848 0.479 1.00 0.00 O ATOM 818 CB THR A 54 -2.402 -1.628 3.106 1.00 0.00 C ATOM 819 OG1 THR A 54 -2.558 -1.597 4.509 1.00 0.00 O ATOM 820 CG2 THR A 54 -2.999 -2.933 2.583 1.00 0.00 C ATOM 0 H THR A 54 -1.123 0.597 2.950 1.00 0.00 H new ATOM 0 HA THR A 54 -0.394 -2.301 3.230 1.00 0.00 H new ATOM 0 HB THR A 54 -2.931 -0.810 2.617 1.00 0.00 H new ATOM 0 HG1 THR A 54 -3.506 -1.701 4.735 1.00 0.00 H new ATOM 0 HG21 THR A 54 -4.053 -2.986 2.855 1.00 0.00 H new ATOM 0 HG22 THR A 54 -2.902 -2.968 1.498 1.00 0.00 H new ATOM 0 HG23 THR A 54 -2.468 -3.778 3.022 1.00 0.00 H new ATOM 828 N VAL A 55 0.455 -2.173 0.854 1.00 0.00 N ATOM 829 CA VAL A 55 0.801 -2.217 -0.560 1.00 0.00 C ATOM 830 C VAL A 55 -0.128 -3.228 -1.232 1.00 0.00 C ATOM 831 O VAL A 55 -0.397 -4.301 -0.691 1.00 0.00 O ATOM 832 CB VAL A 55 2.286 -2.567 -0.742 1.00 0.00 C ATOM 833 CG1 VAL A 55 2.669 -2.635 -2.226 1.00 0.00 C ATOM 834 CG2 VAL A 55 3.184 -1.509 -0.089 1.00 0.00 C ATOM 0 H VAL A 55 1.077 -2.702 1.466 1.00 0.00 H new ATOM 0 HA VAL A 55 0.664 -1.242 -1.028 1.00 0.00 H new ATOM 0 HB VAL A 55 2.432 -3.539 -0.271 1.00 0.00 H new ATOM 0 HG11 VAL A 55 3.726 -2.885 -2.318 1.00 0.00 H new ATOM 0 HG12 VAL A 55 2.071 -3.400 -2.721 1.00 0.00 H new ATOM 0 HG13 VAL A 55 2.482 -1.669 -2.695 1.00 0.00 H new ATOM 0 HG21 VAL A 55 4.230 -1.781 -0.232 1.00 0.00 H new ATOM 0 HG22 VAL A 55 2.995 -0.538 -0.548 1.00 0.00 H new ATOM 0 HG23 VAL A 55 2.966 -1.455 0.978 1.00 0.00 H new ATOM 844 N ALA A 56 -0.629 -2.883 -2.415 1.00 0.00 N ATOM 845 CA ALA A 56 -1.520 -3.720 -3.188 1.00 0.00 C ATOM 846 C ALA A 56 -1.042 -3.741 -4.634 1.00 0.00 C ATOM 847 O ALA A 56 -0.353 -2.826 -5.082 1.00 0.00 O ATOM 848 CB ALA A 56 -2.952 -3.198 -3.060 1.00 0.00 C ATOM 0 H ALA A 56 -0.418 -1.993 -2.866 1.00 0.00 H new ATOM 0 HA ALA A 56 -1.513 -4.744 -2.814 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -3.623 -3.829 -3.643 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -3.254 -3.217 -2.013 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -3.001 -2.175 -3.433 1.00 0.00 H new ATOM 854 N LYS A 57 -1.404 -4.790 -5.364 1.00 0.00 N ATOM 855 CA LYS A 57 -1.082 -4.993 -6.761 1.00 0.00 C ATOM 856 C LYS A 57 -2.330 -5.411 -7.525 1.00 0.00 C ATOM 857 O LYS A 57 -3.176 -6.118 -6.978 1.00 0.00 O ATOM 858 CB LYS A 57 0.002 -6.060 -6.905 1.00 0.00 C ATOM 859 CG LYS A 57 1.427 -5.509 -6.935 1.00 0.00 C ATOM 860 CD LYS A 57 2.365 -6.709 -7.145 1.00 0.00 C ATOM 861 CE LYS A 57 3.822 -6.321 -7.364 1.00 0.00 C ATOM 862 NZ LYS A 57 4.009 -5.480 -8.562 1.00 0.00 N ATOM 0 H LYS A 57 -1.956 -5.554 -4.974 1.00 0.00 H new ATOM 0 HA LYS A 57 -0.708 -4.057 -7.175 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -0.085 -6.764 -6.077 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -0.177 -6.622 -7.822 1.00 0.00 H new ATOM 0 HG2 LYS A 57 1.543 -4.782 -7.739 1.00 0.00 H new ATOM 0 HG3 LYS A 57 1.662 -4.994 -6.004 1.00 0.00 H new ATOM 0 HD2 LYS A 57 2.300 -7.365 -6.277 1.00 0.00 H new ATOM 0 HD3 LYS A 57 2.019 -7.283 -8.005 1.00 0.00 H new ATOM 0 HE2 LYS A 57 4.188 -5.786 -6.488 1.00 0.00 H new ATOM 0 HE3 LYS A 57 4.425 -7.224 -7.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 5.025 -5.356 -8.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 3.564 -5.940 -9.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 3.569 -4.551 -8.406 1.00 0.00 H new ATOM 876 N LEU A 58 -2.433 -4.990 -8.786 1.00 0.00 N ATOM 877 CA LEU A 58 -3.542 -5.341 -9.660 1.00 0.00 C ATOM 878 C LEU A 58 -3.014 -5.608 -11.066 1.00 0.00 C ATOM 879 O LEU A 58 -2.317 -4.768 -11.638 1.00 0.00 O ATOM 880 CB LEU A 58 -4.592 -4.228 -9.613 1.00 0.00 C ATOM 881 CG LEU A 58 -5.831 -4.552 -10.469 1.00 0.00 C ATOM 882 CD1 LEU A 58 -7.076 -4.001 -9.777 1.00 0.00 C ATOM 883 CD2 LEU A 58 -5.724 -3.895 -11.849 1.00 0.00 C ATOM 0 H LEU A 58 -1.739 -4.389 -9.230 1.00 0.00 H new ATOM 0 HA LEU A 58 -4.030 -6.256 -9.325 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -4.900 -4.066 -8.580 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -4.146 -3.297 -9.962 1.00 0.00 H new ATOM 0 HG LEU A 58 -5.895 -5.634 -10.586 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -7.957 -4.227 -10.378 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -7.180 -4.461 -8.794 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -6.982 -2.921 -9.664 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -6.609 -4.137 -12.437 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -5.650 -2.814 -11.732 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -4.836 -4.266 -12.361 1.00 0.00 H new ATOM 895 N ASN A 59 -3.343 -6.782 -11.617 1.00 0.00 N ATOM 896 CA ASN A 59 -2.937 -7.164 -12.962 1.00 0.00 C ATOM 897 C ASN A 59 -3.973 -6.643 -13.954 1.00 0.00 C ATOM 898 O ASN A 59 -5.090 -7.167 -14.013 1.00 0.00 O ATOM 899 CB ASN A 59 -2.804 -8.683 -13.095 1.00 0.00 C ATOM 900 CG ASN A 59 -2.317 -9.073 -14.490 1.00 0.00 C ATOM 901 OD1 ASN A 59 -2.094 -8.228 -15.353 1.00 0.00 O ATOM 902 ND2 ASN A 59 -2.180 -10.366 -14.744 1.00 0.00 N ATOM 0 H ASN A 59 -3.899 -7.490 -11.137 1.00 0.00 H new ATOM 0 HA ASN A 59 -1.960 -6.728 -13.172 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -2.107 -9.057 -12.345 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -3.767 -9.154 -12.898 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -1.884 -10.675 -15.670 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -2.370 -11.052 -14.014 1.00 0.00 H new ATOM 909 N ILE A 60 -3.603 -5.634 -14.742 1.00 0.00 N ATOM 910 CA ILE A 60 -4.480 -5.049 -15.744 1.00 0.00 C ATOM 911 C ILE A 60 -4.802 -6.041 -16.863 1.00 0.00 C ATOM 912 O ILE A 60 -5.850 -5.916 -17.488 1.00 0.00 O ATOM 913 CB ILE A 60 -3.917 -3.719 -16.279 1.00 0.00 C ATOM 914 CG1 ILE A 60 -2.633 -3.904 -17.104 1.00 0.00 C ATOM 915 CG2 ILE A 60 -3.671 -2.746 -15.118 1.00 0.00 C ATOM 916 CD1 ILE A 60 -2.903 -3.942 -18.611 1.00 0.00 C ATOM 0 H ILE A 60 -2.681 -5.200 -14.699 1.00 0.00 H new ATOM 0 HA ILE A 60 -5.427 -4.815 -15.257 1.00 0.00 H new ATOM 0 HB ILE A 60 -4.666 -3.303 -16.953 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -1.943 -3.090 -16.883 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -2.142 -4.829 -16.803 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -3.273 -1.809 -15.507 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -4.610 -2.554 -14.599 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -2.955 -3.183 -14.422 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -1.963 -4.074 -19.146 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -3.571 -4.772 -18.840 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -3.368 -3.006 -18.921 1.00 0.00 H new ATOM 928 N ASP A 61 -3.947 -7.041 -17.118 1.00 0.00 N ATOM 929 CA ASP A 61 -4.237 -8.035 -18.151 1.00 0.00 C ATOM 930 C ASP A 61 -5.533 -8.759 -17.791 1.00 0.00 C ATOM 931 O ASP A 61 -6.414 -8.943 -18.624 1.00 0.00 O ATOM 932 CB ASP A 61 -3.108 -9.065 -18.285 1.00 0.00 C ATOM 933 CG ASP A 61 -1.772 -8.473 -18.717 1.00 0.00 C ATOM 934 OD1 ASP A 61 -1.781 -7.659 -19.667 1.00 0.00 O ATOM 935 OD2 ASP A 61 -0.752 -8.863 -18.104 1.00 0.00 O ATOM 0 H ASP A 61 -3.062 -7.179 -16.629 1.00 0.00 H new ATOM 0 HA ASP A 61 -4.333 -7.515 -19.104 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -2.977 -9.570 -17.328 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -3.407 -9.824 -19.008 1.00 0.00 H new ATOM 940 N GLN A 62 -5.632 -9.165 -16.524 1.00 0.00 N ATOM 941 CA GLN A 62 -6.794 -9.855 -15.990 1.00 0.00 C ATOM 942 C GLN A 62 -7.927 -8.864 -15.718 1.00 0.00 C ATOM 943 O GLN A 62 -9.097 -9.209 -15.862 1.00 0.00 O ATOM 944 CB GLN A 62 -6.399 -10.584 -14.700 1.00 0.00 C ATOM 945 CG GLN A 62 -5.402 -11.722 -14.958 1.00 0.00 C ATOM 946 CD GLN A 62 -4.888 -12.304 -13.646 1.00 0.00 C ATOM 947 OE1 GLN A 62 -3.745 -12.074 -13.258 1.00 0.00 O ATOM 948 NE2 GLN A 62 -5.728 -13.051 -12.938 1.00 0.00 N ATOM 0 H GLN A 62 -4.894 -9.019 -15.835 1.00 0.00 H new ATOM 0 HA GLN A 62 -7.149 -10.581 -16.721 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -5.961 -9.871 -14.002 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -7.293 -10.988 -14.225 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -5.882 -12.505 -15.544 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -4.564 -11.350 -15.548 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -6.671 -13.226 -13.284 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -5.430 -13.450 -12.048 1.00 0.00 H new ATOM 957 N ASN A 63 -7.581 -7.651 -15.280 1.00 0.00 N ATOM 958 CA ASN A 63 -8.534 -6.619 -14.875 1.00 0.00 C ATOM 959 C ASN A 63 -8.353 -5.343 -15.705 1.00 0.00 C ATOM 960 O ASN A 63 -7.912 -4.327 -15.164 1.00 0.00 O ATOM 961 CB ASN A 63 -8.317 -6.312 -13.388 1.00 0.00 C ATOM 962 CG ASN A 63 -8.351 -7.547 -12.503 1.00 0.00 C ATOM 963 OD1 ASN A 63 -9.398 -7.912 -11.978 1.00 0.00 O ATOM 964 ND2 ASN A 63 -7.196 -8.182 -12.314 1.00 0.00 N ATOM 0 H ASN A 63 -6.609 -7.354 -15.196 1.00 0.00 H new ATOM 0 HA ASN A 63 -9.548 -6.982 -15.043 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -7.356 -5.813 -13.265 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -9.084 -5.614 -13.054 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -7.159 -9.006 -11.713 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -6.348 -7.845 -12.770 1.00 0.00 H new ATOM 971 N PRO A 64 -8.685 -5.357 -17.005 1.00 0.00 N ATOM 972 CA PRO A 64 -8.485 -4.209 -17.874 1.00 0.00 C ATOM 973 C PRO A 64 -9.238 -2.967 -17.397 1.00 0.00 C ATOM 974 O PRO A 64 -8.616 -1.929 -17.195 1.00 0.00 O ATOM 975 CB PRO A 64 -8.901 -4.665 -19.278 1.00 0.00 C ATOM 976 CG PRO A 64 -9.798 -5.879 -19.034 1.00 0.00 C ATOM 977 CD PRO A 64 -9.223 -6.482 -17.752 1.00 0.00 C ATOM 0 HA PRO A 64 -7.442 -3.891 -17.868 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -9.435 -3.877 -19.810 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -8.034 -4.927 -19.884 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -10.842 -5.591 -18.911 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -9.758 -6.584 -19.865 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -9.994 -7.000 -17.181 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -8.446 -7.213 -17.976 1.00 0.00 H new ATOM 985 N GLY A 65 -10.562 -3.075 -17.228 1.00 0.00 N ATOM 986 CA GLY A 65 -11.473 -1.996 -16.841 1.00 0.00 C ATOM 987 C GLY A 65 -10.892 -1.003 -15.832 1.00 0.00 C ATOM 988 O GLY A 65 -11.028 0.211 -15.988 1.00 0.00 O ATOM 0 H GLY A 65 -11.048 -3.961 -17.365 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -11.771 -1.451 -17.737 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -12.377 -2.435 -16.419 1.00 0.00 H new ATOM 992 N THR A 66 -10.245 -1.518 -14.790 1.00 0.00 N ATOM 993 CA THR A 66 -9.632 -0.731 -13.739 1.00 0.00 C ATOM 994 C THR A 66 -8.723 0.389 -14.276 1.00 0.00 C ATOM 995 O THR A 66 -8.703 1.487 -13.720 1.00 0.00 O ATOM 996 CB THR A 66 -8.921 -1.687 -12.764 1.00 0.00 C ATOM 997 OG1 THR A 66 -9.186 -3.042 -13.090 1.00 0.00 O ATOM 998 CG2 THR A 66 -9.417 -1.432 -11.337 1.00 0.00 C ATOM 0 H THR A 66 -10.133 -2.523 -14.655 1.00 0.00 H new ATOM 0 HA THR A 66 -10.408 -0.193 -13.195 1.00 0.00 H new ATOM 0 HB THR A 66 -7.849 -1.502 -12.839 1.00 0.00 H new ATOM 0 HG1 THR A 66 -8.623 -3.313 -13.845 1.00 0.00 H new ATOM 0 HG21 THR A 66 -8.912 -2.110 -10.650 1.00 0.00 H new ATOM 0 HG22 THR A 66 -9.200 -0.402 -11.055 1.00 0.00 H new ATOM 0 HG23 THR A 66 -10.493 -1.602 -11.290 1.00 0.00 H new ATOM 1006 N ALA A 67 -7.991 0.135 -15.366 1.00 0.00 N ATOM 1007 CA ALA A 67 -7.102 1.129 -15.957 1.00 0.00 C ATOM 1008 C ALA A 67 -7.853 2.395 -16.404 1.00 0.00 C ATOM 1009 O ALA A 67 -7.624 3.450 -15.811 1.00 0.00 O ATOM 1010 CB ALA A 67 -6.207 0.507 -17.034 1.00 0.00 C ATOM 0 H ALA A 67 -8.001 -0.759 -15.857 1.00 0.00 H new ATOM 0 HA ALA A 67 -6.423 1.479 -15.179 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -5.557 1.274 -17.454 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -5.599 -0.281 -16.591 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -6.828 0.085 -17.824 1.00 0.00 H new ATOM 1016 N PRO A 68 -8.744 2.353 -17.414 1.00 0.00 N ATOM 1017 CA PRO A 68 -9.505 3.526 -17.811 1.00 0.00 C ATOM 1018 C PRO A 68 -10.356 4.053 -16.652 1.00 0.00 C ATOM 1019 O PRO A 68 -10.469 5.269 -16.514 1.00 0.00 O ATOM 1020 CB PRO A 68 -10.343 3.116 -19.024 1.00 0.00 C ATOM 1021 CG PRO A 68 -10.451 1.600 -18.891 1.00 0.00 C ATOM 1022 CD PRO A 68 -9.118 1.225 -18.246 1.00 0.00 C ATOM 0 HA PRO A 68 -8.848 4.354 -18.080 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -11.324 3.590 -19.012 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -9.862 3.403 -19.959 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -11.298 1.307 -18.271 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -10.583 1.117 -19.859 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -9.214 0.317 -17.651 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -8.359 1.031 -19.004 1.00 0.00 H new ATOM 1030 N LYS A 69 -10.929 3.180 -15.805 1.00 0.00 N ATOM 1031 CA LYS A 69 -11.702 3.643 -14.650 1.00 0.00 C ATOM 1032 C LYS A 69 -10.896 4.655 -13.829 1.00 0.00 C ATOM 1033 O LYS A 69 -11.421 5.709 -13.477 1.00 0.00 O ATOM 1034 CB LYS A 69 -12.153 2.473 -13.767 1.00 0.00 C ATOM 1035 CG LYS A 69 -13.331 1.706 -14.377 1.00 0.00 C ATOM 1036 CD LYS A 69 -13.662 0.486 -13.508 1.00 0.00 C ATOM 1037 CE LYS A 69 -14.805 -0.330 -14.117 1.00 0.00 C ATOM 1038 NZ LYS A 69 -15.139 -1.488 -13.270 1.00 0.00 N ATOM 0 H LYS A 69 -10.871 2.166 -15.900 1.00 0.00 H new ATOM 0 HA LYS A 69 -12.597 4.136 -15.031 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -11.317 1.791 -13.617 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -12.437 2.850 -12.785 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -14.202 2.358 -14.452 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -13.084 1.387 -15.389 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -12.777 -0.142 -13.405 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -13.939 0.814 -12.506 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -15.684 0.303 -14.237 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -14.521 -0.673 -15.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -15.724 -2.156 -13.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -14.263 -1.961 -12.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -15.665 -1.166 -12.433 1.00 0.00 H new ATOM 1130 N ILE A 75 1.723 1.791 -17.265 1.00 0.00 N ATOM 1131 CA ILE A 75 2.144 0.975 -16.132 1.00 0.00 C ATOM 1132 C ILE A 75 3.680 0.914 -16.090 1.00 0.00 C ATOM 1133 O ILE A 75 4.304 1.037 -17.144 1.00 0.00 O ATOM 1134 CB ILE A 75 1.505 -0.425 -16.232 1.00 0.00 C ATOM 1135 CG1 ILE A 75 1.828 -1.111 -17.572 1.00 0.00 C ATOM 1136 CG2 ILE A 75 -0.012 -0.327 -16.008 1.00 0.00 C ATOM 1137 CD1 ILE A 75 1.303 -2.543 -17.615 1.00 0.00 C ATOM 0 HA ILE A 75 1.804 1.420 -15.197 1.00 0.00 H new ATOM 0 HB ILE A 75 1.936 -1.049 -15.449 1.00 0.00 H new ATOM 0 HG12 ILE A 75 1.389 -0.538 -18.389 1.00 0.00 H new ATOM 0 HG13 ILE A 75 2.907 -1.114 -17.728 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -0.455 -1.320 -16.080 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -0.208 0.087 -15.019 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -0.451 0.322 -16.766 1.00 0.00 H new ATOM 0 HD11 ILE A 75 1.551 -2.993 -18.576 1.00 0.00 H new ATOM 0 HD12 ILE A 75 1.762 -3.123 -16.814 1.00 0.00 H new ATOM 0 HD13 ILE A 75 0.221 -2.538 -17.485 1.00 0.00 H new ATOM 1149 N PRO A 76 4.319 0.724 -14.920 1.00 0.00 N ATOM 1150 CA PRO A 76 3.711 0.572 -13.608 1.00 0.00 C ATOM 1151 C PRO A 76 3.077 1.882 -13.157 1.00 0.00 C ATOM 1152 O PRO A 76 3.626 2.953 -13.408 1.00 0.00 O ATOM 1153 CB PRO A 76 4.850 0.195 -12.653 1.00 0.00 C ATOM 1154 CG PRO A 76 6.092 0.770 -13.330 1.00 0.00 C ATOM 1155 CD PRO A 76 5.765 0.652 -14.818 1.00 0.00 C ATOM 0 HA PRO A 76 2.927 -0.185 -13.625 1.00 0.00 H new ATOM 0 HB2 PRO A 76 4.700 0.622 -11.662 1.00 0.00 H new ATOM 0 HB3 PRO A 76 4.926 -0.885 -12.526 1.00 0.00 H new ATOM 0 HG2 PRO A 76 6.267 1.805 -13.037 1.00 0.00 H new ATOM 0 HG3 PRO A 76 6.989 0.209 -13.069 1.00 0.00 H new ATOM 0 HD2 PRO A 76 6.236 1.455 -15.385 1.00 0.00 H new ATOM 0 HD3 PRO A 76 6.138 -0.288 -15.226 1.00 0.00 H new ATOM 1163 N THR A 77 1.925 1.792 -12.496 1.00 0.00 N ATOM 1164 CA THR A 77 1.238 2.954 -11.952 1.00 0.00 C ATOM 1165 C THR A 77 1.151 2.685 -10.455 1.00 0.00 C ATOM 1166 O THR A 77 0.993 1.522 -10.075 1.00 0.00 O ATOM 1167 CB THR A 77 -0.172 3.086 -12.550 1.00 0.00 C ATOM 1168 OG1 THR A 77 -0.246 2.522 -13.843 1.00 0.00 O ATOM 1169 CG2 THR A 77 -0.526 4.568 -12.695 1.00 0.00 C ATOM 0 H THR A 77 1.444 0.909 -12.324 1.00 0.00 H new ATOM 0 HA THR A 77 1.762 3.882 -12.181 1.00 0.00 H new ATOM 0 HB THR A 77 -0.856 2.565 -11.880 1.00 0.00 H new ATOM 0 HG1 THR A 77 -1.156 2.622 -14.192 1.00 0.00 H new ATOM 0 HG21 THR A 77 -1.526 4.664 -13.119 1.00 0.00 H new ATOM 0 HG22 THR A 77 -0.500 5.046 -11.716 1.00 0.00 H new ATOM 0 HG23 THR A 77 0.195 5.052 -13.354 1.00 0.00 H new ATOM 1177 N LEU A 78 1.263 3.719 -9.616 1.00 0.00 N ATOM 1178 CA LEU A 78 1.210 3.624 -8.164 1.00 0.00 C ATOM 1179 C LEU A 78 0.180 4.644 -7.681 1.00 0.00 C ATOM 1180 O LEU A 78 0.478 5.838 -7.639 1.00 0.00 O ATOM 1181 CB LEU A 78 2.598 3.928 -7.573 1.00 0.00 C ATOM 1182 CG LEU A 78 3.729 3.005 -8.060 1.00 0.00 C ATOM 1183 CD1 LEU A 78 5.076 3.534 -7.557 1.00 0.00 C ATOM 1184 CD2 LEU A 78 3.545 1.574 -7.549 1.00 0.00 C ATOM 0 H LEU A 78 1.397 4.675 -9.945 1.00 0.00 H new ATOM 0 HA LEU A 78 0.925 2.622 -7.844 1.00 0.00 H new ATOM 0 HB2 LEU A 78 2.861 4.958 -7.814 1.00 0.00 H new ATOM 0 HB3 LEU A 78 2.537 3.860 -6.487 1.00 0.00 H new ATOM 0 HG LEU A 78 3.702 2.994 -9.150 1.00 0.00 H new ATOM 0 HD11 LEU A 78 5.876 2.879 -7.903 1.00 0.00 H new ATOM 0 HD12 LEU A 78 5.239 4.540 -7.943 1.00 0.00 H new ATOM 0 HD13 LEU A 78 5.073 3.559 -6.467 1.00 0.00 H new ATOM 0 HD21 LEU A 78 4.362 0.950 -7.912 1.00 0.00 H new ATOM 0 HD22 LEU A 78 3.546 1.574 -6.459 1.00 0.00 H new ATOM 0 HD23 LEU A 78 2.597 1.177 -7.911 1.00 0.00 H new ATOM 1196 N LEU A 79 -1.032 4.192 -7.345 1.00 0.00 N ATOM 1197 CA LEU A 79 -2.110 5.056 -6.874 1.00 0.00 C ATOM 1198 C LEU A 79 -2.255 4.862 -5.368 1.00 0.00 C ATOM 1199 O LEU A 79 -2.511 3.749 -4.912 1.00 0.00 O ATOM 1200 CB LEU A 79 -3.431 4.719 -7.573 1.00 0.00 C ATOM 1201 CG LEU A 79 -3.563 5.257 -9.006 1.00 0.00 C ATOM 1202 CD1 LEU A 79 -2.560 4.638 -9.979 1.00 0.00 C ATOM 1203 CD2 LEU A 79 -4.989 5.026 -9.517 1.00 0.00 C ATOM 0 H LEU A 79 -1.291 3.207 -7.394 1.00 0.00 H new ATOM 0 HA LEU A 79 -1.868 6.094 -7.104 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -3.547 3.635 -7.596 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -4.252 5.115 -6.975 1.00 0.00 H new ATOM 0 HG LEU A 79 -3.341 6.323 -8.962 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -2.708 5.062 -10.972 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -1.546 4.851 -9.641 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -2.710 3.559 -10.019 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -5.078 5.409 -10.534 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -5.209 3.958 -9.511 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -5.696 5.546 -8.870 1.00 0.00 H new ATOM 1215 N LEU A 80 -2.093 5.939 -4.597 1.00 0.00 N ATOM 1216 CA LEU A 80 -2.193 5.919 -3.147 1.00 0.00 C ATOM 1217 C LEU A 80 -3.604 6.324 -2.728 1.00 0.00 C ATOM 1218 O LEU A 80 -3.956 7.500 -2.783 1.00 0.00 O ATOM 1219 CB LEU A 80 -1.100 6.824 -2.571 1.00 0.00 C ATOM 1220 CG LEU A 80 -1.148 6.962 -1.044 1.00 0.00 C ATOM 1221 CD1 LEU A 80 -1.040 5.605 -0.346 1.00 0.00 C ATOM 1222 CD2 LEU A 80 0.009 7.858 -0.592 1.00 0.00 C ATOM 0 H LEU A 80 -1.885 6.863 -4.975 1.00 0.00 H new ATOM 0 HA LEU A 80 -2.030 4.918 -2.748 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -0.126 6.430 -2.860 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -1.189 7.814 -3.018 1.00 0.00 H new ATOM 0 HG LEU A 80 -2.108 7.401 -0.771 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -1.078 5.747 0.734 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -1.868 4.969 -0.658 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -0.097 5.131 -0.616 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -0.015 7.964 0.493 1.00 0.00 H new ATOM 0 HD22 LEU A 80 0.956 7.409 -0.892 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -0.089 8.840 -1.054 1.00 0.00 H new ATOM 1234 N PHE A 81 -4.401 5.342 -2.306 1.00 0.00 N ATOM 1235 CA PHE A 81 -5.774 5.495 -1.855 1.00 0.00 C ATOM 1236 C PHE A 81 -5.820 5.562 -0.329 1.00 0.00 C ATOM 1237 O PHE A 81 -5.618 4.545 0.336 1.00 0.00 O ATOM 1238 CB PHE A 81 -6.604 4.295 -2.325 1.00 0.00 C ATOM 1239 CG PHE A 81 -6.898 4.255 -3.812 1.00 0.00 C ATOM 1240 CD1 PHE A 81 -5.955 3.715 -4.703 1.00 0.00 C ATOM 1241 CD2 PHE A 81 -8.178 4.603 -4.285 1.00 0.00 C ATOM 1242 CE1 PHE A 81 -6.293 3.517 -6.054 1.00 0.00 C ATOM 1243 CE2 PHE A 81 -8.519 4.398 -5.630 1.00 0.00 C ATOM 1244 CZ PHE A 81 -7.563 3.892 -6.525 1.00 0.00 C ATOM 0 H PHE A 81 -4.086 4.373 -2.270 1.00 0.00 H new ATOM 0 HA PHE A 81 -6.181 6.416 -2.271 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -6.079 3.380 -2.050 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -7.550 4.294 -1.784 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -4.969 3.452 -4.350 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -8.902 5.031 -3.607 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -5.576 3.076 -6.730 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -9.515 4.629 -5.977 1.00 0.00 H new ATOM 0 HZ PHE A 81 -7.803 3.791 -7.573 1.00 0.00 H new ATOM 1297 N GLU A 85 -9.904 7.610 -0.989 1.00 0.00 N ATOM 1298 CA GLU A 85 -9.558 8.896 -1.567 1.00 0.00 C ATOM 1299 C GLU A 85 -8.179 8.810 -2.223 1.00 0.00 C ATOM 1300 O GLU A 85 -7.176 8.683 -1.524 1.00 0.00 O ATOM 1301 CB GLU A 85 -9.579 9.986 -0.486 1.00 0.00 C ATOM 1302 CG GLU A 85 -10.924 10.043 0.250 1.00 0.00 C ATOM 1303 CD GLU A 85 -10.963 11.209 1.232 1.00 0.00 C ATOM 1304 OE1 GLU A 85 -10.329 11.076 2.302 1.00 0.00 O ATOM 1305 OE2 GLU A 85 -11.612 12.220 0.888 1.00 0.00 O ATOM 0 HA GLU A 85 -10.293 9.158 -2.328 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -8.781 9.799 0.232 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -9.375 10.954 -0.944 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -11.734 10.145 -0.473 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -11.090 9.108 0.784 1.00 0.00 H new ATOM 1312 N VAL A 86 -8.121 8.886 -3.558 1.00 0.00 N ATOM 1313 CA VAL A 86 -6.859 8.902 -4.287 1.00 0.00 C ATOM 1314 C VAL A 86 -6.088 10.160 -3.864 1.00 0.00 C ATOM 1315 O VAL A 86 -6.414 11.262 -4.298 1.00 0.00 O ATOM 1316 CB VAL A 86 -7.121 8.871 -5.803 1.00 0.00 C ATOM 1317 CG1 VAL A 86 -5.803 8.950 -6.585 1.00 0.00 C ATOM 1318 CG2 VAL A 86 -7.827 7.573 -6.208 1.00 0.00 C ATOM 0 H VAL A 86 -8.946 8.938 -4.155 1.00 0.00 H new ATOM 0 HA VAL A 86 -6.262 8.020 -4.053 1.00 0.00 H new ATOM 0 HB VAL A 86 -7.750 9.730 -6.037 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -6.012 8.926 -7.654 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -5.288 9.878 -6.336 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -5.171 8.102 -6.320 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -8.002 7.574 -7.284 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -7.202 6.721 -5.943 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -8.781 7.499 -5.686 1.00 0.00 H new ATOM 1328 N ALA A 87 -5.084 9.998 -3.002 1.00 0.00 N ATOM 1329 CA ALA A 87 -4.282 11.089 -2.472 1.00 0.00 C ATOM 1330 C ALA A 87 -3.223 11.526 -3.478 1.00 0.00 C ATOM 1331 O ALA A 87 -3.006 12.721 -3.668 1.00 0.00 O ATOM 1332 CB ALA A 87 -3.638 10.646 -1.157 1.00 0.00 C ATOM 0 H ALA A 87 -4.804 9.083 -2.648 1.00 0.00 H new ATOM 0 HA ALA A 87 -4.926 11.948 -2.284 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -3.035 11.460 -0.755 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -4.417 10.383 -0.441 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -3.003 9.779 -1.337 1.00 0.00 H new ATOM 1338 N ALA A 88 -2.555 10.564 -4.122 1.00 0.00 N ATOM 1339 CA ALA A 88 -1.516 10.837 -5.102 1.00 0.00 C ATOM 1340 C ALA A 88 -1.407 9.664 -6.069 1.00 0.00 C ATOM 1341 O ALA A 88 -1.774 8.538 -5.721 1.00 0.00 O ATOM 1342 CB ALA A 88 -0.185 11.098 -4.394 1.00 0.00 C ATOM 0 H ALA A 88 -2.726 9.570 -3.972 1.00 0.00 H new ATOM 0 HA ALA A 88 -1.773 11.730 -5.672 1.00 0.00 H new ATOM 0 HB1 ALA A 88 0.588 11.302 -5.135 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -0.288 11.957 -3.732 1.00 0.00 H new ATOM 0 HB3 ALA A 88 0.095 10.221 -3.810 1.00 0.00 H new ATOM 1348 N THR A 89 -0.925 9.940 -7.282 1.00 0.00 N ATOM 1349 CA THR A 89 -0.798 8.971 -8.356 1.00 0.00 C ATOM 1350 C THR A 89 0.554 9.151 -9.047 1.00 0.00 C ATOM 1351 O THR A 89 0.774 10.204 -9.644 1.00 0.00 O ATOM 1352 CB THR A 89 -1.948 9.194 -9.354 1.00 0.00 C ATOM 1353 OG1 THR A 89 -1.885 10.489 -9.920 1.00 0.00 O ATOM 1354 CG2 THR A 89 -3.314 9.089 -8.671 1.00 0.00 C ATOM 0 H THR A 89 -0.605 10.872 -7.545 1.00 0.00 H new ATOM 0 HA THR A 89 -0.852 7.956 -7.962 1.00 0.00 H new ATOM 0 HB THR A 89 -1.838 8.423 -10.117 1.00 0.00 H new ATOM 0 HG1 THR A 89 -0.951 10.784 -9.960 1.00 0.00 H new ATOM 0 HG21 THR A 89 -4.102 9.252 -9.406 1.00 0.00 H new ATOM 0 HG22 THR A 89 -3.426 8.097 -8.233 1.00 0.00 H new ATOM 0 HG23 THR A 89 -3.388 9.843 -7.887 1.00 0.00 H new ATOM 1362 N LYS A 90 1.438 8.150 -9.002 1.00 0.00 N ATOM 1363 CA LYS A 90 2.727 8.202 -9.684 1.00 0.00 C ATOM 1364 C LYS A 90 2.653 7.237 -10.867 1.00 0.00 C ATOM 1365 O LYS A 90 2.126 6.134 -10.729 1.00 0.00 O ATOM 1366 CB LYS A 90 3.863 7.891 -8.694 1.00 0.00 C ATOM 1367 CG LYS A 90 5.250 8.327 -9.192 1.00 0.00 C ATOM 1368 CD LYS A 90 5.958 7.245 -10.024 1.00 0.00 C ATOM 1369 CE LYS A 90 7.268 7.765 -10.627 1.00 0.00 C ATOM 1370 NZ LYS A 90 7.036 8.763 -11.686 1.00 0.00 N ATOM 0 H LYS A 90 1.277 7.282 -8.491 1.00 0.00 H new ATOM 0 HA LYS A 90 2.948 9.197 -10.070 1.00 0.00 H new ATOM 0 HB2 LYS A 90 3.654 8.387 -7.746 1.00 0.00 H new ATOM 0 HB3 LYS A 90 3.878 6.819 -8.496 1.00 0.00 H new ATOM 0 HG2 LYS A 90 5.146 9.230 -9.794 1.00 0.00 H new ATOM 0 HG3 LYS A 90 5.873 8.584 -8.335 1.00 0.00 H new ATOM 0 HD2 LYS A 90 6.165 6.379 -9.395 1.00 0.00 H new ATOM 0 HD3 LYS A 90 5.297 6.909 -10.823 1.00 0.00 H new ATOM 0 HE2 LYS A 90 7.878 8.208 -9.840 1.00 0.00 H new ATOM 0 HE3 LYS A 90 7.835 6.929 -11.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 7.941 9.011 -12.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 6.393 8.367 -12.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 6.610 9.616 -11.272 1.00 0.00 H new ATOM 1384 N VAL A 91 3.153 7.661 -12.030 1.00 0.00 N ATOM 1385 CA VAL A 91 3.156 6.884 -13.263 1.00 0.00 C ATOM 1386 C VAL A 91 4.614 6.611 -13.631 1.00 0.00 C ATOM 1387 O VAL A 91 5.411 7.546 -13.674 1.00 0.00 O ATOM 1388 CB VAL A 91 2.439 7.673 -14.377 1.00 0.00 C ATOM 1389 CG1 VAL A 91 2.279 6.808 -15.634 1.00 0.00 C ATOM 1390 CG2 VAL A 91 1.052 8.163 -13.931 1.00 0.00 C ATOM 0 H VAL A 91 3.578 8.582 -12.139 1.00 0.00 H new ATOM 0 HA VAL A 91 2.626 5.940 -13.135 1.00 0.00 H new ATOM 0 HB VAL A 91 3.060 8.541 -14.599 1.00 0.00 H new ATOM 0 HG11 VAL A 91 1.771 7.382 -16.409 1.00 0.00 H new ATOM 0 HG12 VAL A 91 3.262 6.504 -15.994 1.00 0.00 H new ATOM 0 HG13 VAL A 91 1.690 5.923 -15.394 1.00 0.00 H new ATOM 0 HG21 VAL A 91 0.582 8.714 -14.745 1.00 0.00 H new ATOM 0 HG22 VAL A 91 0.432 7.307 -13.666 1.00 0.00 H new ATOM 0 HG23 VAL A 91 1.158 8.816 -13.065 1.00 0.00 H new ATOM 1400 N GLY A 92 4.968 5.348 -13.878 1.00 0.00 N ATOM 1401 CA GLY A 92 6.318 4.941 -14.228 1.00 0.00 C ATOM 1402 C GLY A 92 7.095 4.469 -12.998 1.00 0.00 C ATOM 1403 O GLY A 92 6.663 4.649 -11.861 1.00 0.00 O ATOM 0 H GLY A 92 4.309 4.571 -13.838 1.00 0.00 H new ATOM 0 HA2 GLY A 92 6.278 4.139 -14.965 1.00 0.00 H new ATOM 0 HA3 GLY A 92 6.842 5.776 -14.693 1.00 0.00 H new ATOM 1407 N ALA A 93 8.253 3.846 -13.240 1.00 0.00 N ATOM 1408 CA ALA A 93 9.123 3.342 -12.186 1.00 0.00 C ATOM 1409 C ALA A 93 9.874 4.494 -11.512 1.00 0.00 C ATOM 1410 O ALA A 93 9.889 5.617 -12.015 1.00 0.00 O ATOM 1411 CB ALA A 93 10.094 2.316 -12.780 1.00 0.00 C ATOM 0 H ALA A 93 8.610 3.679 -14.181 1.00 0.00 H new ATOM 0 HA ALA A 93 8.522 2.853 -11.420 1.00 0.00 H new ATOM 0 HB1 ALA A 93 10.747 1.936 -11.995 1.00 0.00 H new ATOM 0 HB2 ALA A 93 9.530 1.490 -13.214 1.00 0.00 H new ATOM 0 HB3 ALA A 93 10.696 2.791 -13.555 1.00 0.00 H new ATOM 1417 N LEU A 94 10.513 4.206 -10.376 1.00 0.00 N ATOM 1418 CA LEU A 94 11.285 5.152 -9.585 1.00 0.00 C ATOM 1419 C LEU A 94 12.190 4.350 -8.651 1.00 0.00 C ATOM 1420 O LEU A 94 11.966 3.154 -8.470 1.00 0.00 O ATOM 1421 CB LEU A 94 10.364 6.117 -8.818 1.00 0.00 C ATOM 1422 CG LEU A 94 9.565 5.514 -7.648 1.00 0.00 C ATOM 1423 CD1 LEU A 94 8.712 6.620 -7.015 1.00 0.00 C ATOM 1424 CD2 LEU A 94 8.635 4.364 -8.057 1.00 0.00 C ATOM 0 H LEU A 94 10.503 3.270 -9.971 1.00 0.00 H new ATOM 0 HA LEU A 94 11.899 5.779 -10.232 1.00 0.00 H new ATOM 0 HB2 LEU A 94 10.972 6.935 -8.431 1.00 0.00 H new ATOM 0 HB3 LEU A 94 9.658 6.551 -9.526 1.00 0.00 H new ATOM 0 HG LEU A 94 10.295 5.102 -6.952 1.00 0.00 H new ATOM 0 HD11 LEU A 94 8.140 6.208 -6.184 1.00 0.00 H new ATOM 0 HD12 LEU A 94 9.361 7.416 -6.649 1.00 0.00 H new ATOM 0 HD13 LEU A 94 8.028 7.024 -7.761 1.00 0.00 H new ATOM 0 HD21 LEU A 94 8.107 3.993 -7.178 1.00 0.00 H new ATOM 0 HD22 LEU A 94 7.912 4.724 -8.789 1.00 0.00 H new ATOM 0 HD23 LEU A 94 9.224 3.558 -8.494 1.00 0.00 H new ATOM 1436 N SER A 95 13.209 4.989 -8.070 1.00 0.00 N ATOM 1437 CA SER A 95 14.119 4.305 -7.165 1.00 0.00 C ATOM 1438 C SER A 95 13.439 4.012 -5.830 1.00 0.00 C ATOM 1439 O SER A 95 12.453 4.656 -5.462 1.00 0.00 O ATOM 1440 CB SER A 95 15.372 5.157 -6.932 1.00 0.00 C ATOM 1441 OG SER A 95 15.023 6.364 -6.282 1.00 0.00 O ATOM 0 H SER A 95 13.419 5.977 -8.214 1.00 0.00 H new ATOM 0 HA SER A 95 14.407 3.359 -7.623 1.00 0.00 H new ATOM 0 HB2 SER A 95 16.091 4.604 -6.328 1.00 0.00 H new ATOM 0 HB3 SER A 95 15.856 5.374 -7.884 1.00 0.00 H new ATOM 0 HG SER A 95 14.651 6.992 -6.936 1.00 0.00 H new ATOM 1447 N LYS A 96 14.007 3.070 -5.069 1.00 0.00 N ATOM 1448 CA LYS A 96 13.524 2.764 -3.733 1.00 0.00 C ATOM 1449 C LYS A 96 13.550 4.043 -2.893 1.00 0.00 C ATOM 1450 O LYS A 96 12.591 4.331 -2.187 1.00 0.00 O ATOM 1451 CB LYS A 96 14.370 1.644 -3.113 1.00 0.00 C ATOM 1452 CG LYS A 96 13.837 1.250 -1.728 1.00 0.00 C ATOM 1453 CD LYS A 96 14.522 -0.031 -1.238 1.00 0.00 C ATOM 1454 CE LYS A 96 14.091 -0.402 0.186 1.00 0.00 C ATOM 1455 NZ LYS A 96 12.628 -0.531 0.312 1.00 0.00 N ATOM 0 H LYS A 96 14.805 2.508 -5.364 1.00 0.00 H new ATOM 0 HA LYS A 96 12.496 2.403 -3.771 1.00 0.00 H new ATOM 0 HB2 LYS A 96 14.364 0.774 -3.769 1.00 0.00 H new ATOM 0 HB3 LYS A 96 15.406 1.972 -3.028 1.00 0.00 H new ATOM 0 HG2 LYS A 96 14.014 2.059 -1.019 1.00 0.00 H new ATOM 0 HG3 LYS A 96 12.759 1.098 -1.776 1.00 0.00 H new ATOM 0 HD2 LYS A 96 14.284 -0.852 -1.915 1.00 0.00 H new ATOM 0 HD3 LYS A 96 15.603 0.102 -1.267 1.00 0.00 H new ATOM 0 HE2 LYS A 96 14.562 -1.342 0.473 1.00 0.00 H new ATOM 0 HE3 LYS A 96 14.448 0.358 0.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 12.403 -1.253 1.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 12.223 0.382 0.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 12.224 -0.813 -0.604 1.00 0.00 H new ATOM 1469 N GLY A 97 14.633 4.819 -2.993 1.00 0.00 N ATOM 1470 CA GLY A 97 14.769 6.085 -2.289 1.00 0.00 C ATOM 1471 C GLY A 97 13.592 7.002 -2.613 1.00 0.00 C ATOM 1472 O GLY A 97 12.854 7.403 -1.713 1.00 0.00 O ATOM 0 H GLY A 97 15.440 4.580 -3.569 1.00 0.00 H new ATOM 0 HA2 GLY A 97 14.815 5.908 -1.214 1.00 0.00 H new ATOM 0 HA3 GLY A 97 15.704 6.568 -2.573 1.00 0.00 H new ATOM 1476 N GLN A 98 13.392 7.311 -3.900 1.00 0.00 N ATOM 1477 CA GLN A 98 12.283 8.158 -4.326 1.00 0.00 C ATOM 1478 C GLN A 98 10.952 7.627 -3.790 1.00 0.00 C ATOM 1479 O GLN A 98 10.139 8.395 -3.280 1.00 0.00 O ATOM 1480 CB GLN A 98 12.226 8.239 -5.851 1.00 0.00 C ATOM 1481 CG GLN A 98 13.345 9.106 -6.437 1.00 0.00 C ATOM 1482 CD GLN A 98 13.446 8.873 -7.941 1.00 0.00 C ATOM 1483 OE1 GLN A 98 13.806 7.775 -8.362 1.00 0.00 O ATOM 1484 NE2 GLN A 98 13.121 9.869 -8.757 1.00 0.00 N ATOM 0 H GLN A 98 13.987 6.984 -4.661 1.00 0.00 H new ATOM 0 HA GLN A 98 12.451 9.156 -3.920 1.00 0.00 H new ATOM 0 HB2 GLN A 98 12.294 7.234 -6.267 1.00 0.00 H new ATOM 0 HB3 GLN A 98 11.261 8.645 -6.154 1.00 0.00 H new ATOM 0 HG2 GLN A 98 13.145 10.158 -6.235 1.00 0.00 H new ATOM 0 HG3 GLN A 98 14.294 8.864 -5.958 1.00 0.00 H new ATOM 0 HE21 GLN A 98 12.826 10.767 -8.373 1.00 0.00 H new ATOM 0 HE22 GLN A 98 13.166 9.736 -9.767 1.00 0.00 H new ATOM 1493 N LEU A 99 10.722 6.318 -3.908 1.00 0.00 N ATOM 1494 CA LEU A 99 9.489 5.710 -3.431 1.00 0.00 C ATOM 1495 C LEU A 99 9.319 5.938 -1.927 1.00 0.00 C ATOM 1496 O LEU A 99 8.276 6.428 -1.497 1.00 0.00 O ATOM 1497 CB LEU A 99 9.454 4.228 -3.826 1.00 0.00 C ATOM 1498 CG LEU A 99 8.160 3.502 -3.425 1.00 0.00 C ATOM 1499 CD1 LEU A 99 6.892 4.203 -3.925 1.00 0.00 C ATOM 1500 CD2 LEU A 99 8.195 2.092 -4.016 1.00 0.00 C ATOM 0 H LEU A 99 11.378 5.662 -4.331 1.00 0.00 H new ATOM 0 HA LEU A 99 8.633 6.189 -3.907 1.00 0.00 H new ATOM 0 HB2 LEU A 99 9.583 4.148 -4.905 1.00 0.00 H new ATOM 0 HB3 LEU A 99 10.301 3.720 -3.365 1.00 0.00 H new ATOM 0 HG LEU A 99 8.118 3.493 -2.336 1.00 0.00 H new ATOM 0 HD11 LEU A 99 6.015 3.639 -3.608 1.00 0.00 H new ATOM 0 HD12 LEU A 99 6.845 5.210 -3.510 1.00 0.00 H new ATOM 0 HD13 LEU A 99 6.913 4.260 -5.013 1.00 0.00 H new ATOM 0 HD21 LEU A 99 7.284 1.560 -3.742 1.00 0.00 H new ATOM 0 HD22 LEU A 99 8.266 2.154 -5.102 1.00 0.00 H new ATOM 0 HD23 LEU A 99 9.060 1.555 -3.626 1.00 0.00 H new ATOM 1512 N LYS A 100 10.337 5.618 -1.122 1.00 0.00 N ATOM 1513 CA LYS A 100 10.282 5.819 0.320 1.00 0.00 C ATOM 1514 C LYS A 100 9.987 7.280 0.650 1.00 0.00 C ATOM 1515 O LYS A 100 9.114 7.565 1.470 1.00 0.00 O ATOM 1516 CB LYS A 100 11.581 5.368 0.999 1.00 0.00 C ATOM 1517 CG LYS A 100 11.720 3.843 0.976 1.00 0.00 C ATOM 1518 CD LYS A 100 12.995 3.348 1.674 1.00 0.00 C ATOM 1519 CE LYS A 100 13.055 3.673 3.174 1.00 0.00 C ATOM 1520 NZ LYS A 100 11.856 3.200 3.889 1.00 0.00 N ATOM 0 H LYS A 100 11.214 5.216 -1.453 1.00 0.00 H new ATOM 0 HA LYS A 100 9.471 5.203 0.708 1.00 0.00 H new ATOM 0 HB2 LYS A 100 12.434 5.821 0.494 1.00 0.00 H new ATOM 0 HB3 LYS A 100 11.597 5.721 2.030 1.00 0.00 H new ATOM 0 HG2 LYS A 100 10.851 3.397 1.459 1.00 0.00 H new ATOM 0 HG3 LYS A 100 11.721 3.499 -0.058 1.00 0.00 H new ATOM 0 HD2 LYS A 100 13.072 2.269 1.544 1.00 0.00 H new ATOM 0 HD3 LYS A 100 13.861 3.791 1.182 1.00 0.00 H new ATOM 0 HE2 LYS A 100 13.942 3.213 3.610 1.00 0.00 H new ATOM 0 HE3 LYS A 100 13.156 4.750 3.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 12.044 3.189 4.912 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 11.059 3.838 3.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 11.618 2.239 3.570 1.00 0.00 H new ATOM 1534 N GLU A 101 10.712 8.199 0.002 1.00 0.00 N ATOM 1535 CA GLU A 101 10.546 9.634 0.185 1.00 0.00 C ATOM 1536 C GLU A 101 9.097 10.029 -0.110 1.00 0.00 C ATOM 1537 O GLU A 101 8.447 10.669 0.710 1.00 0.00 O ATOM 1538 CB GLU A 101 11.524 10.382 -0.730 1.00 0.00 C ATOM 1539 CG GLU A 101 12.983 10.199 -0.285 1.00 0.00 C ATOM 1540 CD GLU A 101 13.961 10.484 -1.425 1.00 0.00 C ATOM 1541 OE1 GLU A 101 13.708 11.461 -2.162 1.00 0.00 O ATOM 1542 OE2 GLU A 101 14.939 9.713 -1.547 1.00 0.00 O ATOM 0 H GLU A 101 11.439 7.957 -0.672 1.00 0.00 H new ATOM 0 HA GLU A 101 10.766 9.905 1.218 1.00 0.00 H new ATOM 0 HB2 GLU A 101 11.409 10.024 -1.753 1.00 0.00 H new ATOM 0 HB3 GLU A 101 11.277 11.444 -0.734 1.00 0.00 H new ATOM 0 HG2 GLU A 101 13.195 10.865 0.551 1.00 0.00 H new ATOM 0 HG3 GLU A 101 13.129 9.180 0.074 1.00 0.00 H new ATOM 1549 N PHE A 102 8.591 9.631 -1.280 1.00 0.00 N ATOM 1550 CA PHE A 102 7.227 9.901 -1.711 1.00 0.00 C ATOM 1551 C PHE A 102 6.229 9.396 -0.665 1.00 0.00 C ATOM 1552 O PHE A 102 5.391 10.156 -0.178 1.00 0.00 O ATOM 1553 CB PHE A 102 6.995 9.249 -3.082 1.00 0.00 C ATOM 1554 CG PHE A 102 5.564 9.284 -3.586 1.00 0.00 C ATOM 1555 CD1 PHE A 102 5.090 10.400 -4.302 1.00 0.00 C ATOM 1556 CD2 PHE A 102 4.726 8.168 -3.401 1.00 0.00 C ATOM 1557 CE1 PHE A 102 3.800 10.380 -4.864 1.00 0.00 C ATOM 1558 CE2 PHE A 102 3.433 8.155 -3.949 1.00 0.00 C ATOM 1559 CZ PHE A 102 2.976 9.254 -4.697 1.00 0.00 C ATOM 0 H PHE A 102 9.133 9.102 -1.964 1.00 0.00 H new ATOM 0 HA PHE A 102 7.074 10.976 -1.810 1.00 0.00 H new ATOM 0 HB2 PHE A 102 7.632 9.745 -3.814 1.00 0.00 H new ATOM 0 HB3 PHE A 102 7.319 8.209 -3.030 1.00 0.00 H new ATOM 0 HD1 PHE A 102 5.717 11.272 -4.420 1.00 0.00 H new ATOM 0 HD2 PHE A 102 5.079 7.318 -2.835 1.00 0.00 H new ATOM 0 HE1 PHE A 102 3.443 11.231 -5.424 1.00 0.00 H new ATOM 0 HE2 PHE A 102 2.790 7.301 -3.796 1.00 0.00 H new ATOM 0 HZ PHE A 102 1.993 9.233 -5.143 1.00 0.00 H new ATOM 1569 N LEU A 103 6.312 8.112 -0.313 1.00 0.00 N ATOM 1570 CA LEU A 103 5.408 7.512 0.655 1.00 0.00 C ATOM 1571 C LEU A 103 5.467 8.256 1.984 1.00 0.00 C ATOM 1572 O LEU A 103 4.427 8.620 2.526 1.00 0.00 O ATOM 1573 CB LEU A 103 5.730 6.025 0.836 1.00 0.00 C ATOM 1574 CG LEU A 103 5.444 5.210 -0.434 1.00 0.00 C ATOM 1575 CD1 LEU A 103 5.996 3.796 -0.246 1.00 0.00 C ATOM 1576 CD2 LEU A 103 3.947 5.170 -0.772 1.00 0.00 C ATOM 0 H LEU A 103 7.005 7.466 -0.691 1.00 0.00 H new ATOM 0 HA LEU A 103 4.389 7.594 0.276 1.00 0.00 H new ATOM 0 HB2 LEU A 103 6.779 5.913 1.109 1.00 0.00 H new ATOM 0 HB3 LEU A 103 5.142 5.626 1.662 1.00 0.00 H new ATOM 0 HG LEU A 103 5.938 5.695 -1.276 1.00 0.00 H new ATOM 0 HD11 LEU A 103 5.799 3.207 -1.141 1.00 0.00 H new ATOM 0 HD12 LEU A 103 7.071 3.845 -0.073 1.00 0.00 H new ATOM 0 HD13 LEU A 103 5.512 3.327 0.611 1.00 0.00 H new ATOM 0 HD21 LEU A 103 3.794 4.583 -1.677 1.00 0.00 H new ATOM 0 HD22 LEU A 103 3.400 4.714 0.053 1.00 0.00 H new ATOM 0 HD23 LEU A 103 3.583 6.185 -0.932 1.00 0.00 H new ATOM 1588 N ASP A 104 6.672 8.509 2.498 1.00 0.00 N ATOM 1589 CA ASP A 104 6.855 9.240 3.742 1.00 0.00 C ATOM 1590 C ASP A 104 6.182 10.612 3.654 1.00 0.00 C ATOM 1591 O ASP A 104 5.390 10.971 4.521 1.00 0.00 O ATOM 1592 CB ASP A 104 8.350 9.374 4.056 1.00 0.00 C ATOM 1593 CG ASP A 104 8.562 10.145 5.353 1.00 0.00 C ATOM 1594 OD1 ASP A 104 8.435 9.504 6.418 1.00 0.00 O ATOM 1595 OD2 ASP A 104 8.841 11.360 5.253 1.00 0.00 O ATOM 0 H ASP A 104 7.544 8.211 2.060 1.00 0.00 H new ATOM 0 HA ASP A 104 6.385 8.687 4.555 1.00 0.00 H new ATOM 0 HB2 ASP A 104 8.799 8.384 4.138 1.00 0.00 H new ATOM 0 HB3 ASP A 104 8.854 9.886 3.236 1.00 0.00 H new ATOM 1600 N ALA A 105 6.487 11.366 2.597 1.00 0.00 N ATOM 1601 CA ALA A 105 5.937 12.692 2.358 1.00 0.00 C ATOM 1602 C ALA A 105 4.408 12.672 2.277 1.00 0.00 C ATOM 1603 O ALA A 105 3.760 13.609 2.731 1.00 0.00 O ATOM 1604 CB ALA A 105 6.542 13.278 1.079 1.00 0.00 C ATOM 0 H ALA A 105 7.136 11.062 1.872 1.00 0.00 H new ATOM 0 HA ALA A 105 6.201 13.326 3.205 1.00 0.00 H new ATOM 0 HB1 ALA A 105 6.128 14.271 0.903 1.00 0.00 H new ATOM 0 HB2 ALA A 105 7.624 13.350 1.188 1.00 0.00 H new ATOM 0 HB3 ALA A 105 6.305 12.631 0.235 1.00 0.00 H new ATOM 1610 N ASN A 106 3.827 11.614 1.703 1.00 0.00 N ATOM 1611 CA ASN A 106 2.378 11.525 1.556 1.00 0.00 C ATOM 1612 C ASN A 106 1.733 11.125 2.881 1.00 0.00 C ATOM 1613 O ASN A 106 0.775 11.758 3.315 1.00 0.00 O ATOM 1614 CB ASN A 106 1.997 10.491 0.488 1.00 0.00 C ATOM 1615 CG ASN A 106 2.002 11.057 -0.927 1.00 0.00 C ATOM 1616 OD1 ASN A 106 0.956 11.427 -1.450 1.00 0.00 O ATOM 1617 ND2 ASN A 106 3.162 11.118 -1.567 1.00 0.00 N ATOM 0 H ASN A 106 4.339 10.812 1.335 1.00 0.00 H new ATOM 0 HA ASN A 106 2.016 12.507 1.250 1.00 0.00 H new ATOM 0 HB2 ASN A 106 2.692 9.653 0.539 1.00 0.00 H new ATOM 0 HB3 ASN A 106 1.005 10.097 0.711 1.00 0.00 H new ATOM 0 HD21 ASN A 106 3.200 11.480 -2.520 1.00 0.00 H new ATOM 0 HD22 ASN A 106 4.016 10.803 -1.106 1.00 0.00 H new ATOM 1624 N LEU A 107 2.232 10.065 3.518 1.00 0.00 N ATOM 1625 CA LEU A 107 1.687 9.571 4.776 1.00 0.00 C ATOM 1626 C LEU A 107 1.845 10.621 5.878 1.00 0.00 C ATOM 1627 O LEU A 107 0.919 10.838 6.658 1.00 0.00 O ATOM 1628 CB LEU A 107 2.373 8.251 5.159 1.00 0.00 C ATOM 1629 CG LEU A 107 2.024 7.093 4.207 1.00 0.00 C ATOM 1630 CD1 LEU A 107 3.046 5.970 4.397 1.00 0.00 C ATOM 1631 CD2 LEU A 107 0.611 6.550 4.462 1.00 0.00 C ATOM 0 H LEU A 107 3.027 9.526 3.173 1.00 0.00 H new ATOM 0 HA LEU A 107 0.621 9.380 4.653 1.00 0.00 H new ATOM 0 HB2 LEU A 107 3.453 8.397 5.163 1.00 0.00 H new ATOM 0 HB3 LEU A 107 2.084 7.979 6.174 1.00 0.00 H new ATOM 0 HG LEU A 107 2.053 7.470 3.185 1.00 0.00 H new ATOM 0 HD11 LEU A 107 2.808 5.144 3.727 1.00 0.00 H new ATOM 0 HD12 LEU A 107 4.044 6.344 4.171 1.00 0.00 H new ATOM 0 HD13 LEU A 107 3.015 5.620 5.429 1.00 0.00 H new ATOM 0 HD21 LEU A 107 0.404 5.734 3.769 1.00 0.00 H new ATOM 0 HD22 LEU A 107 0.542 6.183 5.486 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -0.118 7.347 4.312 1.00 0.00 H new ATOM 1643 N ALA A 108 3.011 11.269 5.944 1.00 0.00 N ATOM 1644 CA ALA A 108 3.330 12.306 6.917 1.00 0.00 C ATOM 1645 C ALA A 108 2.879 11.918 8.325 1.00 0.00 C ATOM 1646 O ALA A 108 3.704 11.681 9.204 1.00 0.00 O ATOM 1647 CB ALA A 108 2.715 13.637 6.476 1.00 0.00 C ATOM 0 H ALA A 108 3.779 11.078 5.301 1.00 0.00 H new ATOM 0 HA ALA A 108 4.413 12.420 6.958 1.00 0.00 H new ATOM 0 HB1 ALA A 108 2.956 14.409 7.207 1.00 0.00 H new ATOM 0 HB2 ALA A 108 3.118 13.919 5.503 1.00 0.00 H new ATOM 0 HB3 ALA A 108 1.633 13.531 6.404 1.00 0.00 H new