USER MOD reduce.3.24.130724 H: found=0, std=0, add=580, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 580 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 Single : A 1 MET CE :methyl -153:sc= -4.56! (180deg=-6.75!) USER MOD Single : A 1 MET N :NH3+ -179:sc= 1.42 (180deg=1.38) USER MOD Single : A 2 ASN : amide:sc= 0.551 K(o=0.55,f=-1.4) USER MOD Single : A 4 THR OG1 : rot 74:sc= 0.191 USER MOD Single : A 6 ASN : amide:sc= 0.338 K(o=0.34,f=-0.4) USER MOD Single : A 8 LYS NZ :NH3+ -148:sc= -1.87! (180deg=-3.84!) USER MOD Single : A 10 SER OG : rot 180:sc= -0.262 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 38:sc= 0.222 USER MOD Single : A 19 ASN : amide:sc= 0.54 K(o=0.54,f=-6.9!) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0114) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 TYR OH : rot 83:sc= 0.147 USER MOD Single : A 36 THR OG1 : rot 82:sc= 0.587 USER MOD Single : A 40 ASN :FLIP amide:sc= -0.0728 F(o=-1,f=-0.073) USER MOD Single : A 52 THR OG1 : rot 80:sc= 0.875 USER MOD Single : A 53 THR OG1 : rot 42:sc= 0.401 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 TYR OH : rot 30:sc= 0.619 USER MOD Single : A 66 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 74 HIS : no HD1:sc= -0.0848 X(o=-0.085,f=0) USER MOD Single : A 75 HIS :FLIP no HD1:sc= -0.377 F(o=-1.4,f=-0.38) USER MOD Single : A 76 HIS : no HD1:sc= -0.188 X(o=-0.19,f=-0.16) USER MOD Single : A 77 HIS : no HD1:sc= -0.189 K(o=-0.19,f=-2.8) USER MOD Single : A 78 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -2.314 -11.057 -3.038 1.00 63.41 N ATOM 2 CA MET A 1 -1.622 -10.569 -1.813 1.00 12.24 C ATOM 3 C MET A 1 -2.206 -9.231 -1.331 1.00 41.31 C ATOM 4 O MET A 1 -2.383 -8.300 -2.119 1.00 34.44 O ATOM 5 CB MET A 1 -0.110 -10.438 -2.066 1.00 42.33 C ATOM 6 CG MET A 1 0.262 -9.512 -3.217 1.00 32.52 C ATOM 7 SD MET A 1 2.041 -9.453 -3.505 1.00 20.31 S ATOM 8 CE MET A 1 2.133 -8.300 -4.874 1.00 31.03 C ATOM 0 H1 MET A 1 -1.907 -11.970 -3.326 1.00 63.41 H new ATOM 0 H2 MET A 1 -3.328 -11.177 -2.839 1.00 63.41 H new ATOM 0 H3 MET A 1 -2.191 -10.365 -3.805 1.00 63.41 H new ATOM 0 HA MET A 1 -1.784 -11.304 -1.024 1.00 12.24 H new ATOM 0 HB2 MET A 1 0.367 -10.075 -1.156 1.00 42.33 H new ATOM 0 HB3 MET A 1 0.299 -11.428 -2.267 1.00 42.33 H new ATOM 0 HG2 MET A 1 -0.239 -9.846 -4.125 1.00 32.52 H new ATOM 0 HG3 MET A 1 -0.102 -8.507 -3.003 1.00 32.52 H new ATOM 0 HE1 MET A 1 3.026 -8.506 -5.464 1.00 31.03 H new ATOM 0 HE2 MET A 1 1.249 -8.410 -5.503 1.00 31.03 H new ATOM 0 HE3 MET A 1 2.180 -7.281 -4.489 1.00 31.03 H new ATOM 20 N ASN A 2 -2.515 -9.150 -0.035 1.00 62.11 N ATOM 21 CA ASN A 2 -3.081 -7.932 0.562 1.00 24.10 C ATOM 22 C ASN A 2 -1.986 -6.893 0.860 1.00 23.42 C ATOM 23 O ASN A 2 -1.074 -7.142 1.654 1.00 44.35 O ATOM 24 CB ASN A 2 -3.841 -8.286 1.846 1.00 53.12 C ATOM 25 CG ASN A 2 -4.954 -9.293 1.600 1.00 53.01 C ATOM 26 OD1 ASN A 2 -6.085 -8.932 1.302 1.00 32.11 O ATOM 27 ND2 ASN A 2 -4.641 -10.567 1.723 1.00 74.40 N ATOM 0 H ASN A 2 -2.383 -9.916 0.626 1.00 62.11 H new ATOM 0 HA ASN A 2 -3.772 -7.490 -0.156 1.00 24.10 H new ATOM 0 HB2 ASN A 2 -3.143 -8.691 2.578 1.00 53.12 H new ATOM 0 HB3 ASN A 2 -4.264 -7.379 2.277 1.00 53.12 H new ATOM 0 HD21 ASN A 2 -5.350 -11.284 1.569 1.00 74.40 H new ATOM 0 HD22 ASN A 2 -3.689 -10.837 1.973 1.00 74.40 H new ATOM 34 N LEU A 3 -2.086 -5.721 0.231 1.00 62.01 N ATOM 35 CA LEU A 3 -1.040 -4.694 0.321 1.00 11.22 C ATOM 36 C LEU A 3 -1.587 -3.357 0.843 1.00 42.31 C ATOM 37 O LEU A 3 -2.740 -3.000 0.596 1.00 44.34 O ATOM 38 CB LEU A 3 -0.405 -4.476 -1.058 1.00 72.01 C ATOM 39 CG LEU A 3 0.139 -5.739 -1.744 1.00 74.15 C ATOM 40 CD1 LEU A 3 0.692 -5.400 -3.124 1.00 22.10 C ATOM 41 CD2 LEU A 3 1.204 -6.408 -0.879 1.00 73.14 C ATOM 0 H LEU A 3 -2.882 -5.456 -0.349 1.00 62.01 H new ATOM 0 HA LEU A 3 -0.293 -5.052 1.030 1.00 11.22 H new ATOM 0 HB2 LEU A 3 -1.148 -4.020 -1.712 1.00 72.01 H new ATOM 0 HB3 LEU A 3 0.411 -3.760 -0.954 1.00 72.01 H new ATOM 0 HG LEU A 3 -0.683 -6.444 -1.870 1.00 74.15 H new ATOM 0 HD11 LEU A 3 1.073 -6.306 -3.596 1.00 22.10 H new ATOM 0 HD12 LEU A 3 -0.101 -4.976 -3.740 1.00 22.10 H new ATOM 0 HD13 LEU A 3 1.500 -4.675 -3.024 1.00 22.10 H new ATOM 0 HD21 LEU A 3 1.575 -7.300 -1.384 1.00 73.14 H new ATOM 0 HD22 LEU A 3 2.028 -5.714 -0.715 1.00 73.14 H new ATOM 0 HD23 LEU A 3 0.770 -6.688 0.081 1.00 73.14 H new ATOM 53 N THR A 4 -0.746 -2.616 1.555 1.00 40.23 N ATOM 54 CA THR A 4 -1.111 -1.284 2.043 1.00 65.32 C ATOM 55 C THR A 4 -0.848 -0.225 0.960 1.00 31.34 C ATOM 56 O THR A 4 0.200 0.423 0.944 1.00 34.23 O ATOM 57 CB THR A 4 -0.326 -0.910 3.329 1.00 75.24 C ATOM 58 OG1 THR A 4 -0.385 -1.987 4.284 1.00 12.34 O ATOM 59 CG2 THR A 4 -0.882 0.363 3.963 1.00 70.05 C ATOM 0 H THR A 4 0.196 -2.913 1.810 1.00 40.23 H new ATOM 0 HA THR A 4 -2.174 -1.307 2.283 1.00 65.32 H new ATOM 0 HB THR A 4 0.711 -0.734 3.045 1.00 75.24 H new ATOM 0 HG1 THR A 4 0.194 -2.720 3.987 1.00 12.34 H new ATOM 0 HG21 THR A 4 -0.313 0.600 4.862 1.00 70.05 H new ATOM 0 HG22 THR A 4 -0.802 1.187 3.254 1.00 70.05 H new ATOM 0 HG23 THR A 4 -1.929 0.211 4.226 1.00 70.05 H new ATOM 67 N VAL A 5 -1.794 -0.075 0.036 1.00 70.00 N ATOM 68 CA VAL A 5 -1.632 0.848 -1.097 1.00 33.05 C ATOM 69 C VAL A 5 -2.146 2.251 -0.741 1.00 71.43 C ATOM 70 O VAL A 5 -3.214 2.392 -0.154 1.00 43.44 O ATOM 71 CB VAL A 5 -2.377 0.331 -2.355 1.00 41.41 C ATOM 72 CG1 VAL A 5 -2.175 1.276 -3.541 1.00 61.31 C ATOM 73 CG2 VAL A 5 -1.920 -1.086 -2.708 1.00 44.41 C ATOM 0 H VAL A 5 -2.682 -0.578 0.045 1.00 70.00 H new ATOM 0 HA VAL A 5 -0.566 0.903 -1.317 1.00 33.05 H new ATOM 0 HB VAL A 5 -3.443 0.302 -2.127 1.00 41.41 H new ATOM 0 HG11 VAL A 5 -2.708 0.889 -4.409 1.00 61.31 H new ATOM 0 HG12 VAL A 5 -2.561 2.264 -3.289 1.00 61.31 H new ATOM 0 HG13 VAL A 5 -1.112 1.349 -3.771 1.00 61.31 H new ATOM 0 HG21 VAL A 5 -2.454 -1.431 -3.593 1.00 44.41 H new ATOM 0 HG22 VAL A 5 -0.849 -1.083 -2.909 1.00 44.41 H new ATOM 0 HG23 VAL A 5 -2.131 -1.755 -1.874 1.00 44.41 H new ATOM 83 N ASN A 6 -1.366 3.284 -1.090 1.00 73.02 N ATOM 84 CA ASN A 6 -1.697 4.683 -0.745 1.00 64.35 C ATOM 85 C ASN A 6 -1.619 4.918 0.777 1.00 52.42 C ATOM 86 O ASN A 6 -1.988 5.984 1.270 1.00 22.10 O ATOM 87 CB ASN A 6 -3.110 5.063 -1.234 1.00 1.32 C ATOM 88 CG ASN A 6 -3.333 4.854 -2.723 1.00 72.00 C ATOM 89 OD1 ASN A 6 -4.425 4.498 -3.150 1.00 11.13 O ATOM 90 ND2 ASN A 6 -2.325 5.102 -3.530 1.00 44.34 N ATOM 0 H ASN A 6 -0.497 3.181 -1.613 1.00 73.02 H new ATOM 0 HA ASN A 6 -0.961 5.311 -1.246 1.00 64.35 H new ATOM 0 HB2 ASN A 6 -3.843 4.475 -0.682 1.00 1.32 H new ATOM 0 HB3 ASN A 6 -3.296 6.110 -0.994 1.00 1.32 H new ATOM 0 HD21 ASN A 6 -2.442 4.999 -4.538 1.00 44.34 H new ATOM 0 HD22 ASN A 6 -1.426 5.397 -3.148 1.00 44.34 H new ATOM 97 N GLY A 7 -1.117 3.925 1.514 1.00 43.10 N ATOM 98 CA GLY A 7 -1.205 3.952 2.973 1.00 44.11 C ATOM 99 C GLY A 7 -2.557 3.438 3.472 1.00 52.43 C ATOM 100 O GLY A 7 -2.936 3.660 4.622 1.00 51.43 O ATOM 0 H GLY A 7 -0.651 3.103 1.130 1.00 43.10 H new ATOM 0 HA2 GLY A 7 -0.406 3.343 3.396 1.00 44.11 H new ATOM 0 HA3 GLY A 7 -1.051 4.971 3.327 1.00 44.11 H new ATOM 104 N LYS A 8 -3.275 2.745 2.586 1.00 55.11 N ATOM 105 CA LYS A 8 -4.620 2.226 2.867 1.00 21.14 C ATOM 106 C LYS A 8 -4.678 0.701 2.634 1.00 25.33 C ATOM 107 O LYS A 8 -3.898 0.158 1.849 1.00 74.44 O ATOM 108 CB LYS A 8 -5.633 2.925 1.946 1.00 61.31 C ATOM 109 CG LYS A 8 -5.590 4.453 2.019 1.00 4.00 C ATOM 110 CD LYS A 8 -6.452 5.117 0.938 1.00 22.50 C ATOM 111 CE LYS A 8 -7.950 5.046 1.242 1.00 34.23 C ATOM 112 NZ LYS A 8 -8.465 3.653 1.296 1.00 73.24 N ATOM 0 H LYS A 8 -2.940 2.526 1.648 1.00 55.11 H new ATOM 0 HA LYS A 8 -4.863 2.425 3.911 1.00 21.14 H new ATOM 0 HB2 LYS A 8 -5.447 2.615 0.918 1.00 61.31 H new ATOM 0 HB3 LYS A 8 -6.637 2.587 2.204 1.00 61.31 H new ATOM 0 HG2 LYS A 8 -5.933 4.776 3.002 1.00 4.00 H new ATOM 0 HG3 LYS A 8 -4.559 4.790 1.914 1.00 4.00 H new ATOM 0 HD2 LYS A 8 -6.157 6.161 0.836 1.00 22.50 H new ATOM 0 HD3 LYS A 8 -6.258 4.636 -0.020 1.00 22.50 H new ATOM 0 HE2 LYS A 8 -8.146 5.537 2.195 1.00 34.23 H new ATOM 0 HE3 LYS A 8 -8.497 5.601 0.479 1.00 34.23 H new ATOM 0 HZ1 LYS A 8 -9.451 3.634 0.966 1.00 73.24 H new ATOM 0 HZ2 LYS A 8 -7.884 3.044 0.685 1.00 73.24 H new ATOM 0 HZ3 LYS A 8 -8.420 3.304 2.275 1.00 73.24 H new ATOM 126 N PRO A 9 -5.601 -0.017 3.305 1.00 62.50 N ATOM 127 CA PRO A 9 -5.750 -1.477 3.125 1.00 53.53 C ATOM 128 C PRO A 9 -6.322 -1.865 1.743 1.00 44.42 C ATOM 129 O PRO A 9 -7.462 -1.525 1.409 1.00 52.34 O ATOM 130 CB PRO A 9 -6.724 -1.869 4.247 1.00 63.10 C ATOM 131 CG PRO A 9 -7.508 -0.630 4.519 1.00 60.13 C ATOM 132 CD PRO A 9 -6.558 0.519 4.295 1.00 4.22 C ATOM 0 HA PRO A 9 -4.789 -1.989 3.170 1.00 53.53 H new ATOM 0 HB2 PRO A 9 -7.373 -2.689 3.939 1.00 63.10 H new ATOM 0 HB3 PRO A 9 -6.190 -2.203 5.137 1.00 63.10 H new ATOM 0 HG2 PRO A 9 -8.369 -0.559 3.855 1.00 60.13 H new ATOM 0 HG3 PRO A 9 -7.891 -0.627 5.539 1.00 60.13 H new ATOM 0 HD2 PRO A 9 -7.076 1.401 3.917 1.00 4.22 H new ATOM 0 HD3 PRO A 9 -6.059 0.814 5.218 1.00 4.22 H new ATOM 140 N SER A 10 -5.520 -2.570 0.945 1.00 25.20 N ATOM 141 CA SER A 10 -5.943 -3.048 -0.384 1.00 2.21 C ATOM 142 C SER A 10 -5.375 -4.451 -0.664 1.00 33.51 C ATOM 143 O SER A 10 -4.710 -5.041 0.189 1.00 3.55 O ATOM 144 CB SER A 10 -5.484 -2.073 -1.478 1.00 34.52 C ATOM 145 OG SER A 10 -5.890 -2.514 -2.768 1.00 52.43 O ATOM 0 H SER A 10 -4.565 -2.828 1.193 1.00 25.20 H new ATOM 0 HA SER A 10 -7.032 -3.102 -0.392 1.00 2.21 H new ATOM 0 HB2 SER A 10 -5.898 -1.084 -1.283 1.00 34.52 H new ATOM 0 HB3 SER A 10 -4.399 -1.976 -1.450 1.00 34.52 H new ATOM 0 HG SER A 10 -5.585 -1.873 -3.444 1.00 52.43 H new ATOM 151 N THR A 11 -5.624 -4.982 -1.861 1.00 3.15 N ATOM 152 CA THR A 11 -5.155 -6.331 -2.215 1.00 43.01 C ATOM 153 C THR A 11 -5.173 -6.577 -3.727 1.00 2.32 C ATOM 154 O THR A 11 -6.116 -6.197 -4.423 1.00 22.11 O ATOM 155 CB THR A 11 -5.999 -7.433 -1.525 1.00 52.22 C ATOM 156 OG1 THR A 11 -5.532 -8.736 -1.918 1.00 1.51 O ATOM 157 CG2 THR A 11 -7.481 -7.297 -1.861 1.00 21.40 C ATOM 0 H THR A 11 -6.143 -4.507 -2.600 1.00 3.15 H new ATOM 0 HA THR A 11 -4.126 -6.384 -1.861 1.00 43.01 H new ATOM 0 HB THR A 11 -5.882 -7.312 -0.448 1.00 52.22 H new ATOM 0 HG1 THR A 11 -6.071 -9.424 -1.475 1.00 1.51 H new ATOM 0 HG21 THR A 11 -8.042 -8.086 -1.360 1.00 21.40 H new ATOM 0 HG22 THR A 11 -7.843 -6.325 -1.525 1.00 21.40 H new ATOM 0 HG23 THR A 11 -7.619 -7.382 -2.939 1.00 21.40 H new ATOM 165 N VAL A 12 -4.122 -7.218 -4.233 1.00 41.24 N ATOM 166 CA VAL A 12 -4.055 -7.604 -5.645 1.00 22.03 C ATOM 167 C VAL A 12 -4.207 -9.128 -5.811 1.00 75.10 C ATOM 168 O VAL A 12 -3.223 -9.876 -5.814 1.00 70.15 O ATOM 169 CB VAL A 12 -2.743 -7.110 -6.321 1.00 1.50 C ATOM 170 CG1 VAL A 12 -2.771 -5.593 -6.509 1.00 5.44 C ATOM 171 CG2 VAL A 12 -1.512 -7.520 -5.514 1.00 72.44 C ATOM 0 H VAL A 12 -3.302 -7.483 -3.687 1.00 41.24 H new ATOM 0 HA VAL A 12 -4.890 -7.116 -6.149 1.00 22.03 H new ATOM 0 HB VAL A 12 -2.678 -7.584 -7.300 1.00 1.50 H new ATOM 0 HG11 VAL A 12 -1.845 -5.268 -6.983 1.00 5.44 H new ATOM 0 HG12 VAL A 12 -3.617 -5.320 -7.140 1.00 5.44 H new ATOM 0 HG13 VAL A 12 -2.871 -5.108 -5.538 1.00 5.44 H new ATOM 0 HG21 VAL A 12 -0.613 -7.159 -6.014 1.00 72.44 H new ATOM 0 HG22 VAL A 12 -1.571 -7.087 -4.515 1.00 72.44 H new ATOM 0 HG23 VAL A 12 -1.473 -8.607 -5.436 1.00 72.44 H new ATOM 181 N ASP A 13 -5.464 -9.575 -5.899 1.00 24.25 N ATOM 182 CA ASP A 13 -5.804 -10.995 -6.089 1.00 72.41 C ATOM 183 C ASP A 13 -5.269 -11.889 -4.945 1.00 33.21 C ATOM 184 O ASP A 13 -4.572 -11.423 -4.041 1.00 75.42 O ATOM 185 CB ASP A 13 -5.280 -11.479 -7.456 1.00 12.14 C ATOM 186 CG ASP A 13 -5.682 -12.910 -7.760 1.00 50.44 C ATOM 187 OD1 ASP A 13 -6.899 -13.200 -7.770 1.00 35.12 O ATOM 188 OD2 ASP A 13 -4.788 -13.763 -7.937 1.00 4.24 O ATOM 0 H ASP A 13 -6.278 -8.964 -5.841 1.00 24.25 H new ATOM 0 HA ASP A 13 -6.890 -11.081 -6.067 1.00 72.41 H new ATOM 0 HB2 ASP A 13 -5.661 -10.824 -8.240 1.00 12.14 H new ATOM 0 HB3 ASP A 13 -4.193 -11.399 -7.474 1.00 12.14 H new ATOM 193 N GLY A 14 -5.627 -13.175 -4.975 1.00 53.02 N ATOM 194 CA GLY A 14 -5.085 -14.134 -4.021 1.00 33.14 C ATOM 195 C GLY A 14 -3.631 -14.515 -4.311 1.00 31.14 C ATOM 196 O GLY A 14 -3.017 -15.255 -3.543 1.00 63.52 O ATOM 0 H GLY A 14 -6.286 -13.570 -5.646 1.00 53.02 H new ATOM 0 HA2 GLY A 14 -5.151 -13.715 -3.017 1.00 33.14 H new ATOM 0 HA3 GLY A 14 -5.699 -15.034 -4.032 1.00 33.14 H new ATOM 200 N ALA A 15 -3.091 -14.012 -5.431 1.00 13.02 N ATOM 201 CA ALA A 15 -1.688 -14.244 -5.815 1.00 41.40 C ATOM 202 C ALA A 15 -0.725 -14.020 -4.637 1.00 61.42 C ATOM 203 O ALA A 15 -0.730 -12.961 -4.008 1.00 73.54 O ATOM 204 CB ALA A 15 -1.316 -13.339 -6.983 1.00 10.12 C ATOM 0 H ALA A 15 -3.610 -13.436 -6.094 1.00 13.02 H new ATOM 0 HA ALA A 15 -1.592 -15.287 -6.117 1.00 41.40 H new ATOM 0 HB1 ALA A 15 -0.277 -13.515 -7.263 1.00 10.12 H new ATOM 0 HB2 ALA A 15 -1.963 -13.557 -7.833 1.00 10.12 H new ATOM 0 HB3 ALA A 15 -1.441 -12.297 -6.690 1.00 10.12 H new ATOM 210 N GLU A 16 0.104 -15.022 -4.362 1.00 11.12 N ATOM 211 CA GLU A 16 0.960 -15.032 -3.171 1.00 33.43 C ATOM 212 C GLU A 16 2.041 -13.935 -3.212 1.00 31.12 C ATOM 213 O GLU A 16 2.031 -13.011 -2.394 1.00 60.33 O ATOM 214 CB GLU A 16 1.623 -16.413 -2.993 1.00 42.21 C ATOM 215 CG GLU A 16 0.653 -17.600 -3.013 1.00 34.15 C ATOM 216 CD GLU A 16 0.269 -18.029 -4.424 1.00 61.11 C ATOM 217 OE1 GLU A 16 1.040 -18.790 -5.047 1.00 2.34 O ATOM 218 OE2 GLU A 16 -0.790 -17.594 -4.924 1.00 62.42 O ATOM 0 H GLU A 16 0.205 -15.848 -4.952 1.00 11.12 H new ATOM 0 HA GLU A 16 0.314 -14.824 -2.318 1.00 33.43 H new ATOM 0 HB2 GLU A 16 2.360 -16.551 -3.784 1.00 42.21 H new ATOM 0 HB3 GLU A 16 2.165 -16.421 -2.047 1.00 42.21 H new ATOM 0 HG2 GLU A 16 1.108 -18.443 -2.494 1.00 34.15 H new ATOM 0 HG3 GLU A 16 -0.249 -17.335 -2.461 1.00 34.15 H new ATOM 225 N SER A 17 2.978 -14.049 -4.152 1.00 22.50 N ATOM 226 CA SER A 17 4.101 -13.100 -4.254 1.00 12.20 C ATOM 227 C SER A 17 4.304 -12.630 -5.698 1.00 51.23 C ATOM 228 O SER A 17 4.495 -13.444 -6.602 1.00 44.03 O ATOM 229 CB SER A 17 5.395 -13.749 -3.737 1.00 73.41 C ATOM 230 OG SER A 17 5.718 -14.931 -4.467 1.00 70.14 O ATOM 0 H SER A 17 2.988 -14.787 -4.857 1.00 22.50 H new ATOM 0 HA SER A 17 3.858 -12.232 -3.640 1.00 12.20 H new ATOM 0 HB2 SER A 17 6.216 -13.037 -3.815 1.00 73.41 H new ATOM 0 HB3 SER A 17 5.284 -13.992 -2.680 1.00 73.41 H new ATOM 0 HG SER A 17 5.497 -14.802 -5.413 1.00 70.14 H new ATOM 236 N LEU A 18 4.276 -11.314 -5.907 1.00 73.15 N ATOM 237 CA LEU A 18 4.433 -10.729 -7.248 1.00 31.52 C ATOM 238 C LEU A 18 5.450 -9.579 -7.238 1.00 34.04 C ATOM 239 O LEU A 18 5.516 -8.807 -6.284 1.00 33.21 O ATOM 240 CB LEU A 18 3.085 -10.204 -7.770 1.00 52.34 C ATOM 241 CG LEU A 18 1.960 -11.244 -7.901 1.00 74.21 C ATOM 242 CD1 LEU A 18 0.665 -10.574 -8.360 1.00 14.14 C ATOM 243 CD2 LEU A 18 2.359 -12.367 -8.860 1.00 71.25 C ATOM 0 H LEU A 18 4.146 -10.627 -5.165 1.00 73.15 H new ATOM 0 HA LEU A 18 4.798 -11.517 -7.906 1.00 31.52 H new ATOM 0 HB2 LEU A 18 2.744 -9.412 -7.104 1.00 52.34 H new ATOM 0 HB3 LEU A 18 3.249 -9.750 -8.747 1.00 52.34 H new ATOM 0 HG LEU A 18 1.791 -11.687 -6.920 1.00 74.21 H new ATOM 0 HD11 LEU A 18 -0.121 -11.324 -8.448 1.00 14.14 H new ATOM 0 HD12 LEU A 18 0.368 -9.820 -7.631 1.00 14.14 H new ATOM 0 HD13 LEU A 18 0.824 -10.100 -9.329 1.00 14.14 H new ATOM 0 HD21 LEU A 18 1.545 -13.088 -8.934 1.00 71.25 H new ATOM 0 HD22 LEU A 18 2.564 -11.948 -9.845 1.00 71.25 H new ATOM 0 HD23 LEU A 18 3.253 -12.865 -8.485 1.00 71.25 H new ATOM 255 N ASN A 19 6.241 -9.474 -8.304 1.00 74.21 N ATOM 256 CA ASN A 19 7.193 -8.360 -8.462 1.00 72.13 C ATOM 257 C ASN A 19 6.458 -7.013 -8.481 1.00 53.12 C ATOM 258 O ASN A 19 5.250 -6.966 -8.706 1.00 71.00 O ATOM 259 CB ASN A 19 7.987 -8.506 -9.770 1.00 54.12 C ATOM 260 CG ASN A 19 8.568 -9.892 -9.971 1.00 3.23 C ATOM 261 OD1 ASN A 19 8.042 -10.883 -9.478 1.00 1.31 O ATOM 262 ND2 ASN A 19 9.648 -9.973 -10.715 1.00 71.21 N ATOM 0 H ASN A 19 6.247 -10.143 -9.074 1.00 74.21 H new ATOM 0 HA ASN A 19 7.876 -8.390 -7.613 1.00 72.13 H new ATOM 0 HB2 ASN A 19 7.335 -8.268 -10.610 1.00 54.12 H new ATOM 0 HB3 ASN A 19 8.797 -7.776 -9.778 1.00 54.12 H new ATOM 0 HD21 ASN A 19 10.074 -10.881 -10.898 1.00 71.21 H new ATOM 0 HD22 ASN A 19 10.060 -9.128 -11.110 1.00 71.21 H new ATOM 269 N VAL A 20 7.178 -5.915 -8.266 1.00 53.34 N ATOM 270 CA VAL A 20 6.567 -4.585 -8.368 1.00 52.02 C ATOM 271 C VAL A 20 6.032 -4.351 -9.792 1.00 33.40 C ATOM 272 O VAL A 20 4.948 -3.797 -9.980 1.00 22.53 O ATOM 273 CB VAL A 20 7.561 -3.457 -7.994 1.00 31.04 C ATOM 274 CG1 VAL A 20 6.864 -2.097 -7.989 1.00 24.20 C ATOM 275 CG2 VAL A 20 8.212 -3.735 -6.642 1.00 64.53 C ATOM 0 H VAL A 20 8.169 -5.914 -8.024 1.00 53.34 H new ATOM 0 HA VAL A 20 5.743 -4.554 -7.655 1.00 52.02 H new ATOM 0 HB VAL A 20 8.345 -3.433 -8.751 1.00 31.04 H new ATOM 0 HG11 VAL A 20 7.582 -1.321 -7.724 1.00 24.20 H new ATOM 0 HG12 VAL A 20 6.458 -1.892 -8.980 1.00 24.20 H new ATOM 0 HG13 VAL A 20 6.054 -2.106 -7.260 1.00 24.20 H new ATOM 0 HG21 VAL A 20 8.906 -2.930 -6.400 1.00 64.53 H new ATOM 0 HG22 VAL A 20 7.442 -3.794 -5.873 1.00 64.53 H new ATOM 0 HG23 VAL A 20 8.754 -4.680 -6.686 1.00 64.53 H new ATOM 285 N THR A 21 6.797 -4.797 -10.791 1.00 73.20 N ATOM 286 CA THR A 21 6.346 -4.765 -12.191 1.00 74.04 C ATOM 287 C THR A 21 5.061 -5.591 -12.380 1.00 35.33 C ATOM 288 O THR A 21 4.098 -5.131 -12.997 1.00 74.14 O ATOM 289 CB THR A 21 7.435 -5.303 -13.153 1.00 74.00 C ATOM 290 OG1 THR A 21 8.649 -4.561 -12.984 1.00 34.45 O ATOM 291 CG2 THR A 21 6.984 -5.211 -14.609 1.00 20.31 C ATOM 0 H THR A 21 7.731 -5.185 -10.660 1.00 73.20 H new ATOM 0 HA THR A 21 6.145 -3.721 -12.431 1.00 74.04 H new ATOM 0 HB THR A 21 7.606 -6.352 -12.910 1.00 74.00 H new ATOM 0 HG1 THR A 21 9.332 -4.909 -13.594 1.00 34.45 H new ATOM 0 HG21 THR A 21 7.770 -5.596 -15.258 1.00 20.31 H new ATOM 0 HG22 THR A 21 6.078 -5.801 -14.747 1.00 20.31 H new ATOM 0 HG23 THR A 21 6.782 -4.170 -14.862 1.00 20.31 H new ATOM 299 N GLU A 22 5.051 -6.815 -11.846 1.00 33.23 N ATOM 300 CA GLU A 22 3.840 -7.654 -11.850 1.00 15.24 C ATOM 301 C GLU A 22 2.673 -6.954 -11.127 1.00 73.23 C ATOM 302 O GLU A 22 1.522 -7.046 -11.547 1.00 10.32 O ATOM 303 CB GLU A 22 4.126 -9.021 -11.195 1.00 71.52 C ATOM 304 CG GLU A 22 4.178 -10.189 -12.177 1.00 34.33 C ATOM 305 CD GLU A 22 2.813 -10.522 -12.766 1.00 24.23 C ATOM 306 OE1 GLU A 22 2.057 -11.290 -12.131 1.00 31.20 O ATOM 307 OE2 GLU A 22 2.488 -10.023 -13.864 1.00 14.01 O ATOM 0 H GLU A 22 5.862 -7.250 -11.406 1.00 33.23 H new ATOM 0 HA GLU A 22 3.550 -7.813 -12.889 1.00 15.24 H new ATOM 0 HB2 GLU A 22 5.077 -8.965 -10.664 1.00 71.52 H new ATOM 0 HB3 GLU A 22 3.356 -9.222 -10.450 1.00 71.52 H new ATOM 0 HG2 GLU A 22 4.869 -9.949 -12.985 1.00 34.33 H new ATOM 0 HG3 GLU A 22 4.574 -11.068 -11.669 1.00 34.33 H new ATOM 314 N LEU A 23 2.991 -6.251 -10.040 1.00 11.42 N ATOM 315 CA LEU A 23 1.997 -5.482 -9.276 1.00 64.44 C ATOM 316 C LEU A 23 1.345 -4.420 -10.178 1.00 1.30 C ATOM 317 O LEU A 23 0.124 -4.261 -10.190 1.00 24.51 O ATOM 318 CB LEU A 23 2.685 -4.829 -8.057 1.00 1.13 C ATOM 319 CG LEU A 23 1.770 -4.298 -6.928 1.00 33.22 C ATOM 320 CD1 LEU A 23 2.607 -3.936 -5.702 1.00 14.40 C ATOM 321 CD2 LEU A 23 0.944 -3.089 -7.376 1.00 24.41 C ATOM 0 H LEU A 23 3.937 -6.196 -9.663 1.00 11.42 H new ATOM 0 HA LEU A 23 1.211 -6.147 -8.919 1.00 64.44 H new ATOM 0 HB2 LEU A 23 3.367 -5.560 -7.623 1.00 1.13 H new ATOM 0 HB3 LEU A 23 3.293 -3.999 -8.417 1.00 1.13 H new ATOM 0 HG LEU A 23 1.071 -5.094 -6.672 1.00 33.22 H new ATOM 0 HD11 LEU A 23 1.954 -3.563 -4.913 1.00 14.40 H new ATOM 0 HD12 LEU A 23 3.135 -4.821 -5.348 1.00 14.40 H new ATOM 0 HD13 LEU A 23 3.330 -3.165 -5.969 1.00 14.40 H new ATOM 0 HD21 LEU A 23 0.317 -2.751 -6.551 1.00 24.41 H new ATOM 0 HD22 LEU A 23 1.613 -2.283 -7.678 1.00 24.41 H new ATOM 0 HD23 LEU A 23 0.313 -3.371 -8.219 1.00 24.41 H new ATOM 333 N LEU A 24 2.174 -3.712 -10.943 1.00 21.34 N ATOM 334 CA LEU A 24 1.694 -2.714 -11.908 1.00 44.22 C ATOM 335 C LEU A 24 0.713 -3.340 -12.918 1.00 13.25 C ATOM 336 O LEU A 24 -0.294 -2.731 -13.293 1.00 60.12 O ATOM 337 CB LEU A 24 2.886 -2.095 -12.652 1.00 62.54 C ATOM 338 CG LEU A 24 3.920 -1.382 -11.761 1.00 22.03 C ATOM 339 CD1 LEU A 24 5.162 -0.999 -12.563 1.00 31.31 C ATOM 340 CD2 LEU A 24 3.302 -0.151 -11.104 1.00 22.15 C ATOM 0 H LEU A 24 3.189 -3.809 -10.915 1.00 21.34 H new ATOM 0 HA LEU A 24 1.163 -1.937 -11.358 1.00 44.22 H new ATOM 0 HB2 LEU A 24 3.393 -2.882 -13.210 1.00 62.54 H new ATOM 0 HB3 LEU A 24 2.506 -1.381 -13.382 1.00 62.54 H new ATOM 0 HG LEU A 24 4.227 -2.074 -10.977 1.00 22.03 H new ATOM 0 HD11 LEU A 24 5.876 -0.497 -11.910 1.00 31.31 H new ATOM 0 HD12 LEU A 24 5.619 -1.898 -12.978 1.00 31.31 H new ATOM 0 HD13 LEU A 24 4.879 -0.329 -13.374 1.00 31.31 H new ATOM 0 HD21 LEU A 24 4.047 0.340 -10.478 1.00 22.15 H new ATOM 0 HD22 LEU A 24 2.962 0.541 -11.875 1.00 22.15 H new ATOM 0 HD23 LEU A 24 2.454 -0.454 -10.489 1.00 22.15 H new ATOM 352 N SER A 25 1.013 -4.563 -13.346 1.00 55.15 N ATOM 353 CA SER A 25 0.151 -5.293 -14.290 1.00 11.43 C ATOM 354 C SER A 25 -1.081 -5.899 -13.599 1.00 3.21 C ATOM 355 O SER A 25 -2.126 -6.068 -14.222 1.00 42.42 O ATOM 356 CB SER A 25 0.946 -6.404 -14.994 1.00 4.34 C ATOM 357 OG SER A 25 1.919 -5.866 -15.880 1.00 50.32 O ATOM 0 H SER A 25 1.846 -5.076 -13.058 1.00 55.15 H new ATOM 0 HA SER A 25 -0.200 -4.570 -15.026 1.00 11.43 H new ATOM 0 HB2 SER A 25 1.437 -7.030 -14.249 1.00 4.34 H new ATOM 0 HB3 SER A 25 0.262 -7.046 -15.549 1.00 4.34 H new ATOM 0 HG SER A 25 2.409 -6.597 -16.311 1.00 50.32 H new ATOM 363 N ALA A 26 -0.956 -6.236 -12.317 1.00 54.15 N ATOM 364 CA ALA A 26 -2.065 -6.832 -11.558 1.00 34.21 C ATOM 365 C ALA A 26 -3.104 -5.777 -11.144 1.00 32.43 C ATOM 366 O ALA A 26 -4.310 -5.970 -11.310 1.00 10.13 O ATOM 367 CB ALA A 26 -1.530 -7.556 -10.327 1.00 22.54 C ATOM 0 H ALA A 26 -0.100 -6.108 -11.778 1.00 54.15 H new ATOM 0 HA ALA A 26 -2.564 -7.549 -12.209 1.00 34.21 H new ATOM 0 HB1 ALA A 26 -2.360 -7.993 -9.773 1.00 22.54 H new ATOM 0 HB2 ALA A 26 -0.845 -8.345 -10.638 1.00 22.54 H new ATOM 0 HB3 ALA A 26 -1.001 -6.848 -9.689 1.00 22.54 H new ATOM 373 N LEU A 27 -2.622 -4.663 -10.604 1.00 20.44 N ATOM 374 CA LEU A 27 -3.487 -3.560 -10.161 1.00 61.21 C ATOM 375 C LEU A 27 -3.985 -2.742 -11.369 1.00 1.02 C ATOM 376 O LEU A 27 -4.958 -1.994 -11.269 1.00 72.23 O ATOM 377 CB LEU A 27 -2.703 -2.675 -9.162 1.00 3.22 C ATOM 378 CG LEU A 27 -3.533 -1.690 -8.305 1.00 5.40 C ATOM 379 CD1 LEU A 27 -2.804 -1.379 -6.999 1.00 31.42 C ATOM 380 CD2 LEU A 27 -3.821 -0.387 -9.056 1.00 41.52 C ATOM 0 H LEU A 27 -1.627 -4.493 -10.459 1.00 20.44 H new ATOM 0 HA LEU A 27 -4.368 -3.962 -9.660 1.00 61.21 H new ATOM 0 HB2 LEU A 27 -2.151 -3.330 -8.488 1.00 3.22 H new ATOM 0 HB3 LEU A 27 -1.966 -2.100 -9.723 1.00 3.22 H new ATOM 0 HG LEU A 27 -4.486 -2.172 -8.086 1.00 5.40 H new ATOM 0 HD11 LEU A 27 -3.400 -0.685 -6.406 1.00 31.42 H new ATOM 0 HD12 LEU A 27 -2.655 -2.301 -6.437 1.00 31.42 H new ATOM 0 HD13 LEU A 27 -1.836 -0.929 -7.221 1.00 31.42 H new ATOM 0 HD21 LEU A 27 -4.406 0.278 -8.420 1.00 41.52 H new ATOM 0 HD22 LEU A 27 -2.880 0.097 -9.319 1.00 41.52 H new ATOM 0 HD23 LEU A 27 -4.382 -0.607 -9.964 1.00 41.52 H new ATOM 392 N LYS A 28 -3.320 -2.920 -12.516 1.00 45.23 N ATOM 393 CA LYS A 28 -3.638 -2.185 -13.753 1.00 25.01 C ATOM 394 C LYS A 28 -3.319 -0.689 -13.588 1.00 21.42 C ATOM 395 O LYS A 28 -4.215 0.145 -13.429 1.00 4.41 O ATOM 396 CB LYS A 28 -5.114 -2.390 -14.166 1.00 43.44 C ATOM 397 CG LYS A 28 -5.560 -3.856 -14.193 1.00 24.03 C ATOM 398 CD LYS A 28 -4.742 -4.697 -15.172 1.00 31.30 C ATOM 399 CE LYS A 28 -5.072 -6.186 -15.066 1.00 3.43 C ATOM 400 NZ LYS A 28 -6.489 -6.477 -15.410 1.00 5.11 N ATOM 0 H LYS A 28 -2.546 -3.577 -12.617 1.00 45.23 H new ATOM 0 HA LYS A 28 -3.014 -2.586 -14.552 1.00 25.01 H new ATOM 0 HB2 LYS A 28 -5.753 -1.840 -13.475 1.00 43.44 H new ATOM 0 HB3 LYS A 28 -5.267 -1.957 -15.155 1.00 43.44 H new ATOM 0 HG2 LYS A 28 -5.470 -4.279 -13.192 1.00 24.03 H new ATOM 0 HG3 LYS A 28 -6.614 -3.907 -14.467 1.00 24.03 H new ATOM 0 HD2 LYS A 28 -4.932 -4.355 -16.189 1.00 31.30 H new ATOM 0 HD3 LYS A 28 -3.680 -4.547 -14.979 1.00 31.30 H new ATOM 0 HE2 LYS A 28 -4.416 -6.749 -15.730 1.00 3.43 H new ATOM 0 HE3 LYS A 28 -4.869 -6.529 -14.052 1.00 3.43 H new ATOM 0 HZ1 LYS A 28 -6.651 -7.504 -15.373 1.00 5.11 H new ATOM 0 HZ2 LYS A 28 -7.116 -6.002 -14.729 1.00 5.11 H new ATOM 0 HZ3 LYS A 28 -6.692 -6.129 -16.369 1.00 5.11 H new ATOM 414 N VAL A 29 -2.025 -0.361 -13.602 1.00 72.25 N ATOM 415 CA VAL A 29 -1.564 1.009 -13.333 1.00 14.31 C ATOM 416 C VAL A 29 -1.136 1.754 -14.612 1.00 53.13 C ATOM 417 O VAL A 29 -0.378 1.229 -15.429 1.00 21.11 O ATOM 418 CB VAL A 29 -0.370 1.000 -12.340 1.00 31.45 C ATOM 419 CG1 VAL A 29 0.084 2.423 -12.011 1.00 71.22 C ATOM 420 CG2 VAL A 29 -0.732 0.241 -11.066 1.00 72.24 C ATOM 0 H VAL A 29 -1.275 -1.024 -13.797 1.00 72.25 H new ATOM 0 HA VAL A 29 -2.414 1.536 -12.900 1.00 14.31 H new ATOM 0 HB VAL A 29 0.462 0.485 -12.821 1.00 31.45 H new ATOM 0 HG11 VAL A 29 0.921 2.386 -11.314 1.00 71.22 H new ATOM 0 HG12 VAL A 29 0.396 2.926 -12.926 1.00 71.22 H new ATOM 0 HG13 VAL A 29 -0.741 2.973 -11.558 1.00 71.22 H new ATOM 0 HG21 VAL A 29 0.119 0.247 -10.385 1.00 72.24 H new ATOM 0 HG22 VAL A 29 -1.585 0.721 -10.586 1.00 72.24 H new ATOM 0 HG23 VAL A 29 -0.989 -0.788 -11.316 1.00 72.24 H new ATOM 430 N ALA A 30 -1.641 2.978 -14.781 1.00 10.23 N ATOM 431 CA ALA A 30 -1.176 3.880 -15.846 1.00 73.42 C ATOM 432 C ALA A 30 0.118 4.591 -15.413 1.00 31.11 C ATOM 433 O ALA A 30 0.286 4.908 -14.234 1.00 12.31 O ATOM 434 CB ALA A 30 -2.262 4.896 -16.191 1.00 12.31 C ATOM 0 H ALA A 30 -2.375 3.372 -14.193 1.00 10.23 H new ATOM 0 HA ALA A 30 -0.963 3.291 -16.738 1.00 73.42 H new ATOM 0 HB1 ALA A 30 -1.904 5.557 -16.980 1.00 12.31 H new ATOM 0 HB2 ALA A 30 -3.155 4.372 -16.533 1.00 12.31 H new ATOM 0 HB3 ALA A 30 -2.503 5.485 -15.306 1.00 12.31 H new ATOM 440 N GLN A 31 1.015 4.853 -16.370 1.00 3.25 N ATOM 441 CA GLN A 31 2.365 5.373 -16.067 1.00 43.01 C ATOM 442 C GLN A 31 3.157 4.370 -15.212 1.00 5.22 C ATOM 443 O GLN A 31 3.997 4.755 -14.404 1.00 34.32 O ATOM 444 CB GLN A 31 2.299 6.735 -15.349 1.00 33.02 C ATOM 445 CG GLN A 31 1.650 7.845 -16.168 1.00 15.32 C ATOM 446 CD GLN A 31 1.572 9.162 -15.409 1.00 1.45 C ATOM 447 OE1 GLN A 31 2.474 9.995 -15.476 1.00 54.22 O ATOM 448 NE2 GLN A 31 0.496 9.360 -14.675 1.00 12.41 N ATOM 0 H GLN A 31 0.836 4.715 -17.365 1.00 3.25 H new ATOM 0 HA GLN A 31 2.879 5.513 -17.018 1.00 43.01 H new ATOM 0 HB2 GLN A 31 1.745 6.615 -14.418 1.00 33.02 H new ATOM 0 HB3 GLN A 31 3.310 7.041 -15.081 1.00 33.02 H new ATOM 0 HG2 GLN A 31 2.217 7.992 -17.087 1.00 15.32 H new ATOM 0 HG3 GLN A 31 0.646 7.537 -16.459 1.00 15.32 H new ATOM 0 HE21 GLN A 31 -0.235 8.650 -14.640 1.00 12.41 H new ATOM 0 HE22 GLN A 31 0.394 10.224 -14.142 1.00 12.41 H new ATOM 457 N ALA A 32 2.909 3.081 -15.438 1.00 21.35 N ATOM 458 CA ALA A 32 3.525 2.003 -14.650 1.00 34.54 C ATOM 459 C ALA A 32 5.057 2.113 -14.610 1.00 5.05 C ATOM 460 O ALA A 32 5.661 2.106 -13.539 1.00 24.31 O ATOM 461 CB ALA A 32 3.107 0.651 -15.217 1.00 3.51 C ATOM 0 H ALA A 32 2.279 2.750 -16.169 1.00 21.35 H new ATOM 0 HA ALA A 32 3.171 2.099 -13.624 1.00 34.54 H new ATOM 0 HB1 ALA A 32 3.565 -0.146 -14.631 1.00 3.51 H new ATOM 0 HB2 ALA A 32 2.022 0.557 -15.172 1.00 3.51 H new ATOM 0 HB3 ALA A 32 3.435 0.574 -16.254 1.00 3.51 H new ATOM 467 N GLU A 33 5.676 2.229 -15.781 1.00 12.42 N ATOM 468 CA GLU A 33 7.139 2.339 -15.881 1.00 13.42 C ATOM 469 C GLU A 33 7.650 3.696 -15.350 1.00 51.35 C ATOM 470 O GLU A 33 8.847 3.885 -15.130 1.00 40.14 O ATOM 471 CB GLU A 33 7.565 2.151 -17.349 1.00 65.34 C ATOM 472 CG GLU A 33 9.076 2.191 -17.580 1.00 24.44 C ATOM 473 CD GLU A 33 9.453 1.995 -19.039 1.00 55.03 C ATOM 474 OE1 GLU A 33 9.436 2.984 -19.805 1.00 42.42 O ATOM 475 OE2 GLU A 33 9.762 0.850 -19.431 1.00 24.03 O ATOM 0 H GLU A 33 5.192 2.250 -16.679 1.00 12.42 H new ATOM 0 HA GLU A 33 7.582 1.559 -15.262 1.00 13.42 H new ATOM 0 HB2 GLU A 33 7.181 1.196 -17.706 1.00 65.34 H new ATOM 0 HB3 GLU A 33 7.097 2.929 -17.953 1.00 65.34 H new ATOM 0 HG2 GLU A 33 9.467 3.148 -17.234 1.00 24.44 H new ATOM 0 HG3 GLU A 33 9.552 1.416 -16.979 1.00 24.44 H new ATOM 482 N TYR A 34 6.731 4.638 -15.134 1.00 3.13 N ATOM 483 CA TYR A 34 7.096 6.014 -14.765 1.00 74.25 C ATOM 484 C TYR A 34 6.556 6.415 -13.380 1.00 65.24 C ATOM 485 O TYR A 34 6.746 7.553 -12.940 1.00 51.11 O ATOM 486 CB TYR A 34 6.564 6.978 -15.833 1.00 13.25 C ATOM 487 CG TYR A 34 6.964 6.584 -17.242 1.00 34.31 C ATOM 488 CD1 TYR A 34 8.227 6.882 -17.733 1.00 63.23 C ATOM 489 CD2 TYR A 34 6.085 5.894 -18.073 1.00 74.01 C ATOM 490 CE1 TYR A 34 8.605 6.507 -19.006 1.00 21.40 C ATOM 491 CE2 TYR A 34 6.456 5.519 -19.348 1.00 22.44 C ATOM 492 CZ TYR A 34 7.720 5.827 -19.810 1.00 33.33 C ATOM 493 OH TYR A 34 8.102 5.443 -21.077 1.00 71.23 O ATOM 0 H TYR A 34 5.726 4.477 -15.207 1.00 3.13 H new ATOM 0 HA TYR A 34 8.183 6.068 -14.710 1.00 74.25 H new ATOM 0 HB2 TYR A 34 5.477 7.018 -15.768 1.00 13.25 H new ATOM 0 HB3 TYR A 34 6.933 7.982 -15.624 1.00 13.25 H new ATOM 0 HD1 TYR A 34 8.927 7.417 -17.108 1.00 63.23 H new ATOM 0 HD2 TYR A 34 5.097 5.648 -17.714 1.00 74.01 H new ATOM 0 HE1 TYR A 34 9.593 6.747 -19.370 1.00 21.40 H new ATOM 0 HE2 TYR A 34 5.761 4.987 -19.981 1.00 22.44 H new ATOM 0 HH TYR A 34 8.604 4.603 -21.027 1.00 71.23 H new ATOM 503 N VAL A 35 5.900 5.479 -12.694 1.00 12.34 N ATOM 504 CA VAL A 35 5.277 5.757 -11.393 1.00 65.21 C ATOM 505 C VAL A 35 6.324 5.908 -10.277 1.00 41.02 C ATOM 506 O VAL A 35 7.373 5.265 -10.296 1.00 54.23 O ATOM 507 CB VAL A 35 4.266 4.643 -10.998 1.00 4.21 C ATOM 508 CG1 VAL A 35 4.978 3.318 -10.724 1.00 41.42 C ATOM 509 CG2 VAL A 35 3.426 5.072 -9.795 1.00 43.44 C ATOM 0 H VAL A 35 5.784 4.518 -13.016 1.00 12.34 H new ATOM 0 HA VAL A 35 4.745 6.702 -11.503 1.00 65.21 H new ATOM 0 HB VAL A 35 3.595 4.489 -11.843 1.00 4.21 H new ATOM 0 HG11 VAL A 35 4.244 2.560 -10.451 1.00 41.42 H new ATOM 0 HG12 VAL A 35 5.512 3.000 -11.620 1.00 41.42 H new ATOM 0 HG13 VAL A 35 5.687 3.448 -9.906 1.00 41.42 H new ATOM 0 HG21 VAL A 35 2.726 4.277 -9.538 1.00 43.44 H new ATOM 0 HG22 VAL A 35 4.080 5.269 -8.946 1.00 43.44 H new ATOM 0 HG23 VAL A 35 2.871 5.977 -10.043 1.00 43.44 H new ATOM 519 N THR A 36 6.040 6.778 -9.311 1.00 50.52 N ATOM 520 CA THR A 36 6.897 6.924 -8.129 1.00 1.32 C ATOM 521 C THR A 36 6.299 6.170 -6.938 1.00 11.21 C ATOM 522 O THR A 36 5.271 6.576 -6.393 1.00 1.00 O ATOM 523 CB THR A 36 7.089 8.407 -7.725 1.00 74.04 C ATOM 524 OG1 THR A 36 7.544 9.178 -8.851 1.00 15.53 O ATOM 525 CG2 THR A 36 8.099 8.534 -6.585 1.00 25.25 C ATOM 0 H THR A 36 5.226 7.393 -9.320 1.00 50.52 H new ATOM 0 HA THR A 36 7.868 6.507 -8.395 1.00 1.32 H new ATOM 0 HB THR A 36 6.125 8.789 -7.389 1.00 74.04 H new ATOM 0 HG1 THR A 36 6.778 9.425 -9.410 1.00 15.53 H new ATOM 0 HG21 THR A 36 8.217 9.584 -6.319 1.00 25.25 H new ATOM 0 HG22 THR A 36 7.741 7.978 -5.718 1.00 25.25 H new ATOM 0 HG23 THR A 36 9.060 8.130 -6.904 1.00 25.25 H new ATOM 533 N VAL A 37 6.929 5.064 -6.552 1.00 42.42 N ATOM 534 CA VAL A 37 6.475 4.274 -5.402 1.00 21.34 C ATOM 535 C VAL A 37 7.638 3.905 -4.473 1.00 51.22 C ATOM 536 O VAL A 37 8.708 3.487 -4.923 1.00 43.41 O ATOM 537 CB VAL A 37 5.749 2.975 -5.845 1.00 34.12 C ATOM 538 CG1 VAL A 37 4.476 3.301 -6.617 1.00 2.02 C ATOM 539 CG2 VAL A 37 6.670 2.080 -6.674 1.00 74.35 C ATOM 0 H VAL A 37 7.757 4.691 -7.017 1.00 42.42 H new ATOM 0 HA VAL A 37 5.772 4.905 -4.859 1.00 21.34 H new ATOM 0 HB VAL A 37 5.472 2.427 -4.945 1.00 34.12 H new ATOM 0 HG11 VAL A 37 3.985 2.375 -6.917 1.00 2.02 H new ATOM 0 HG12 VAL A 37 3.804 3.879 -5.983 1.00 2.02 H new ATOM 0 HG13 VAL A 37 4.727 3.882 -7.504 1.00 2.02 H new ATOM 0 HG21 VAL A 37 6.133 1.179 -6.969 1.00 74.35 H new ATOM 0 HG22 VAL A 37 6.994 2.617 -7.565 1.00 74.35 H new ATOM 0 HG23 VAL A 37 7.541 1.805 -6.080 1.00 74.35 H new ATOM 549 N GLU A 38 7.430 4.085 -3.173 1.00 50.42 N ATOM 550 CA GLU A 38 8.412 3.672 -2.171 1.00 43.25 C ATOM 551 C GLU A 38 7.969 2.391 -1.441 1.00 0.41 C ATOM 552 O GLU A 38 6.872 2.319 -0.881 1.00 12.52 O ATOM 553 CB GLU A 38 8.683 4.803 -1.160 1.00 23.04 C ATOM 554 CG GLU A 38 7.435 5.526 -0.647 1.00 44.33 C ATOM 555 CD GLU A 38 7.074 6.748 -1.483 1.00 31.51 C ATOM 556 OE1 GLU A 38 6.406 6.593 -2.526 1.00 54.33 O ATOM 557 OE2 GLU A 38 7.471 7.873 -1.098 1.00 21.22 O ATOM 0 H GLU A 38 6.590 4.515 -2.786 1.00 50.42 H new ATOM 0 HA GLU A 38 9.340 3.454 -2.699 1.00 43.25 H new ATOM 0 HB2 GLU A 38 9.219 4.387 -0.307 1.00 23.04 H new ATOM 0 HB3 GLU A 38 9.343 5.535 -1.625 1.00 23.04 H new ATOM 0 HG2 GLU A 38 6.594 4.832 -0.644 1.00 44.33 H new ATOM 0 HG3 GLU A 38 7.598 5.834 0.386 1.00 44.33 H new ATOM 564 N LEU A 39 8.839 1.383 -1.458 1.00 10.55 N ATOM 565 CA LEU A 39 8.576 0.095 -0.804 1.00 22.53 C ATOM 566 C LEU A 39 8.753 0.226 0.719 1.00 62.41 C ATOM 567 O LEU A 39 9.877 0.352 1.212 1.00 0.21 O ATOM 568 CB LEU A 39 9.535 -0.973 -1.377 1.00 62.32 C ATOM 569 CG LEU A 39 8.892 -2.318 -1.772 1.00 44.42 C ATOM 570 CD1 LEU A 39 8.355 -3.052 -0.551 1.00 20.44 C ATOM 571 CD2 LEU A 39 7.787 -2.109 -2.808 1.00 53.31 C ATOM 0 H LEU A 39 9.745 1.432 -1.923 1.00 10.55 H new ATOM 0 HA LEU A 39 7.548 -0.210 -0.999 1.00 22.53 H new ATOM 0 HB2 LEU A 39 10.027 -0.556 -2.256 1.00 62.32 H new ATOM 0 HB3 LEU A 39 10.313 -1.168 -0.639 1.00 62.32 H new ATOM 0 HG LEU A 39 9.668 -2.939 -2.220 1.00 44.42 H new ATOM 0 HD11 LEU A 39 7.908 -3.996 -0.862 1.00 20.44 H new ATOM 0 HD12 LEU A 39 9.172 -3.248 0.144 1.00 20.44 H new ATOM 0 HD13 LEU A 39 7.601 -2.438 -0.060 1.00 20.44 H new ATOM 0 HD21 LEU A 39 7.348 -3.071 -3.071 1.00 53.31 H new ATOM 0 HD22 LEU A 39 7.016 -1.460 -2.392 1.00 53.31 H new ATOM 0 HD23 LEU A 39 8.208 -1.646 -3.700 1.00 53.31 H new ATOM 583 N ASN A 40 7.633 0.229 1.450 1.00 21.11 N ATOM 584 CA ASN A 40 7.632 0.431 2.913 1.00 2.03 C ATOM 585 C ASN A 40 8.388 1.711 3.321 1.00 63.11 C ATOM 586 O ASN A 40 8.901 1.817 4.440 1.00 64.24 O ATOM 587 CB ASN A 40 8.224 -0.790 3.629 1.00 52.11 C ATOM 588 CG ASN A 40 7.380 -2.035 3.439 1.00 24.04 C ATOM 589 OD1 ASN A 40 7.706 -2.823 2.444 1.00 13.04 O flip ATOM 590 ND2 ASN A 40 6.454 -2.296 4.200 1.00 13.50 N flip ATOM 0 H ASN A 40 6.704 0.093 1.052 1.00 21.11 H new ATOM 0 HA ASN A 40 6.593 0.552 3.220 1.00 2.03 H new ATOM 0 HB2 ASN A 40 9.230 -0.976 3.254 1.00 52.11 H new ATOM 0 HB3 ASN A 40 8.315 -0.575 4.694 1.00 52.11 H new ATOM 0 HD21 ASN A 40 6.227 -1.660 4.965 1.00 13.50 H new ATOM 0 HD22 ASN A 40 5.911 -3.149 4.068 1.00 13.50 H new ATOM 597 N GLY A 41 8.432 2.690 2.414 1.00 72.01 N ATOM 598 CA GLY A 41 9.103 3.956 2.696 1.00 22.33 C ATOM 599 C GLY A 41 10.454 4.112 1.996 1.00 52.23 C ATOM 600 O GLY A 41 11.158 5.098 2.220 1.00 60.43 O ATOM 0 H GLY A 41 8.014 2.629 1.486 1.00 72.01 H new ATOM 0 HA2 GLY A 41 8.452 4.776 2.394 1.00 22.33 H new ATOM 0 HA3 GLY A 41 9.250 4.046 3.772 1.00 22.33 H new ATOM 604 N GLU A 42 10.823 3.142 1.153 1.00 41.41 N ATOM 605 CA GLU A 42 12.085 3.201 0.397 1.00 52.32 C ATOM 606 C GLU A 42 11.832 3.179 -1.123 1.00 71.22 C ATOM 607 O GLU A 42 11.443 2.153 -1.683 1.00 60.30 O ATOM 608 CB GLU A 42 12.986 2.025 0.793 1.00 3.03 C ATOM 609 CG GLU A 42 14.338 2.013 0.082 1.00 12.21 C ATOM 610 CD GLU A 42 15.167 0.782 0.412 1.00 14.04 C ATOM 611 OE1 GLU A 42 14.964 -0.267 -0.235 1.00 23.13 O ATOM 612 OE2 GLU A 42 16.017 0.852 1.322 1.00 31.52 O ATOM 0 H GLU A 42 10.268 2.305 0.975 1.00 41.41 H new ATOM 0 HA GLU A 42 12.581 4.140 0.642 1.00 52.32 H new ATOM 0 HB2 GLU A 42 13.153 2.055 1.870 1.00 3.03 H new ATOM 0 HB3 GLU A 42 12.465 1.092 0.577 1.00 3.03 H new ATOM 0 HG2 GLU A 42 14.177 2.059 -0.995 1.00 12.21 H new ATOM 0 HG3 GLU A 42 14.897 2.907 0.359 1.00 12.21 H new ATOM 619 N VAL A 43 12.041 4.320 -1.780 1.00 25.25 N ATOM 620 CA VAL A 43 11.834 4.440 -3.233 1.00 52.05 C ATOM 621 C VAL A 43 12.737 3.479 -4.035 1.00 64.00 C ATOM 622 O VAL A 43 13.919 3.310 -3.727 1.00 61.10 O ATOM 623 CB VAL A 43 12.060 5.900 -3.711 1.00 64.43 C ATOM 624 CG1 VAL A 43 13.482 6.364 -3.404 1.00 1.04 C ATOM 625 CG2 VAL A 43 11.744 6.048 -5.202 1.00 35.04 C ATOM 0 H VAL A 43 12.355 5.181 -1.331 1.00 25.25 H new ATOM 0 HA VAL A 43 10.798 4.159 -3.422 1.00 52.05 H new ATOM 0 HB VAL A 43 11.372 6.541 -3.159 1.00 64.43 H new ATOM 0 HG11 VAL A 43 13.613 7.390 -3.749 1.00 1.04 H new ATOM 0 HG12 VAL A 43 13.656 6.318 -2.329 1.00 1.04 H new ATOM 0 HG13 VAL A 43 14.194 5.716 -3.914 1.00 1.04 H new ATOM 0 HG21 VAL A 43 11.911 7.081 -5.509 1.00 35.04 H new ATOM 0 HG22 VAL A 43 12.393 5.389 -5.779 1.00 35.04 H new ATOM 0 HG23 VAL A 43 10.703 5.780 -5.382 1.00 35.04 H new ATOM 635 N LEU A 44 12.164 2.845 -5.061 1.00 2.54 N ATOM 636 CA LEU A 44 12.897 1.872 -5.890 1.00 31.20 C ATOM 637 C LEU A 44 13.500 2.529 -7.144 1.00 73.10 C ATOM 638 O LEU A 44 12.975 3.518 -7.661 1.00 42.42 O ATOM 639 CB LEU A 44 11.974 0.716 -6.328 1.00 55.54 C ATOM 640 CG LEU A 44 11.311 -0.100 -5.200 1.00 10.45 C ATOM 641 CD1 LEU A 44 12.339 -0.535 -4.157 1.00 22.52 C ATOM 642 CD2 LEU A 44 10.168 0.681 -4.558 1.00 12.45 C ATOM 0 H LEU A 44 11.193 2.985 -5.342 1.00 2.54 H new ATOM 0 HA LEU A 44 13.707 1.483 -5.273 1.00 31.20 H new ATOM 0 HB2 LEU A 44 11.187 1.128 -6.959 1.00 55.54 H new ATOM 0 HB3 LEU A 44 12.554 0.032 -6.948 1.00 55.54 H new ATOM 0 HG LEU A 44 10.889 -1.002 -5.644 1.00 10.45 H new ATOM 0 HD11 LEU A 44 11.843 -1.108 -3.374 1.00 22.52 H new ATOM 0 HD12 LEU A 44 13.100 -1.153 -4.632 1.00 22.52 H new ATOM 0 HD13 LEU A 44 12.808 0.346 -3.719 1.00 22.52 H new ATOM 0 HD21 LEU A 44 9.718 0.082 -3.766 1.00 12.45 H new ATOM 0 HD22 LEU A 44 10.553 1.610 -4.137 1.00 12.45 H new ATOM 0 HD23 LEU A 44 9.415 0.910 -5.312 1.00 12.45 H new ATOM 654 N GLU A 45 14.605 1.961 -7.631 1.00 75.12 N ATOM 655 CA GLU A 45 15.213 2.399 -8.895 1.00 24.13 C ATOM 656 C GLU A 45 14.358 1.965 -10.095 1.00 75.42 C ATOM 657 O GLU A 45 13.549 1.042 -9.989 1.00 5.03 O ATOM 658 CB GLU A 45 16.640 1.838 -9.036 1.00 74.54 C ATOM 659 CG GLU A 45 17.660 2.476 -8.094 1.00 45.51 C ATOM 660 CD GLU A 45 17.314 2.294 -6.624 1.00 74.23 C ATOM 661 OE1 GLU A 45 17.361 1.147 -6.138 1.00 21.15 O ATOM 662 OE2 GLU A 45 16.997 3.292 -5.947 1.00 72.21 O ATOM 0 H GLU A 45 15.099 1.196 -7.171 1.00 75.12 H new ATOM 0 HA GLU A 45 15.263 3.488 -8.880 1.00 24.13 H new ATOM 0 HB2 GLU A 45 16.616 0.764 -8.853 1.00 74.54 H new ATOM 0 HB3 GLU A 45 16.974 1.979 -10.064 1.00 74.54 H new ATOM 0 HG2 GLU A 45 18.642 2.044 -8.286 1.00 45.51 H new ATOM 0 HG3 GLU A 45 17.732 3.541 -8.314 1.00 45.51 H new ATOM 669 N ARG A 46 14.569 2.614 -11.238 1.00 51.11 N ATOM 670 CA ARG A 46 13.751 2.382 -12.440 1.00 20.23 C ATOM 671 C ARG A 46 13.648 0.884 -12.799 1.00 64.12 C ATOM 672 O ARG A 46 12.565 0.372 -13.072 1.00 40.43 O ATOM 673 CB ARG A 46 14.338 3.164 -13.626 1.00 3.14 C ATOM 674 CG ARG A 46 13.382 3.309 -14.807 1.00 24.03 C ATOM 675 CD ARG A 46 14.030 4.053 -15.970 1.00 32.24 C ATOM 676 NE ARG A 46 13.045 4.496 -16.956 1.00 52.53 N ATOM 677 CZ ARG A 46 13.014 4.103 -18.199 1.00 22.50 C ATOM 678 NH1 ARG A 46 13.848 3.212 -18.639 1.00 71.15 N ATOM 679 NH2 ARG A 46 12.137 4.608 -19.003 1.00 23.30 N ATOM 0 H ARG A 46 15.303 3.311 -11.363 1.00 51.11 H new ATOM 0 HA ARG A 46 12.743 2.734 -12.223 1.00 20.23 H new ATOM 0 HB2 ARG A 46 14.631 4.157 -13.284 1.00 3.14 H new ATOM 0 HB3 ARG A 46 15.245 2.663 -13.965 1.00 3.14 H new ATOM 0 HG2 ARG A 46 13.062 2.321 -15.140 1.00 24.03 H new ATOM 0 HG3 ARG A 46 12.487 3.843 -14.487 1.00 24.03 H new ATOM 0 HD2 ARG A 46 14.575 4.917 -15.589 1.00 32.24 H new ATOM 0 HD3 ARG A 46 14.760 3.404 -16.454 1.00 32.24 H new ATOM 0 HE ARG A 46 12.332 5.159 -16.650 1.00 52.53 H new ATOM 0 HH11 ARG A 46 14.542 2.808 -18.010 1.00 71.15 H new ATOM 0 HH12 ARG A 46 13.810 2.916 -19.614 1.00 71.15 H new ATOM 0 HH21 ARG A 46 11.477 5.308 -18.663 1.00 23.30 H new ATOM 0 HH22 ARG A 46 12.105 4.307 -19.977 1.00 23.30 H new ATOM 693 N GLU A 47 14.780 0.186 -12.792 1.00 23.53 N ATOM 694 CA GLU A 47 14.806 -1.245 -13.135 1.00 44.12 C ATOM 695 C GLU A 47 14.608 -2.148 -11.903 1.00 12.55 C ATOM 696 O GLU A 47 14.470 -3.368 -12.030 1.00 41.43 O ATOM 697 CB GLU A 47 16.124 -1.591 -13.837 1.00 42.54 C ATOM 698 CG GLU A 47 17.367 -1.185 -13.052 1.00 53.31 C ATOM 699 CD GLU A 47 18.652 -1.568 -13.765 1.00 23.04 C ATOM 700 OE1 GLU A 47 18.991 -0.917 -14.774 1.00 12.54 O ATOM 701 OE2 GLU A 47 19.315 -2.535 -13.331 1.00 74.44 O ATOM 0 H GLU A 47 15.691 0.579 -12.555 1.00 23.53 H new ATOM 0 HA GLU A 47 13.970 -1.433 -13.809 1.00 44.12 H new ATOM 0 HB2 GLU A 47 16.156 -2.665 -14.019 1.00 42.54 H new ATOM 0 HB3 GLU A 47 16.145 -1.102 -14.811 1.00 42.54 H new ATOM 0 HG2 GLU A 47 17.353 -0.108 -12.887 1.00 53.31 H new ATOM 0 HG3 GLU A 47 17.344 -1.658 -12.070 1.00 53.31 H new ATOM 708 N ALA A 48 14.578 -1.548 -10.715 1.00 51.11 N ATOM 709 CA ALA A 48 14.386 -2.304 -9.471 1.00 44.20 C ATOM 710 C ALA A 48 12.973 -2.900 -9.391 1.00 1.05 C ATOM 711 O ALA A 48 12.760 -3.932 -8.755 1.00 44.53 O ATOM 712 CB ALA A 48 14.661 -1.417 -8.262 1.00 54.31 C ATOM 0 H ALA A 48 14.684 -0.542 -10.583 1.00 51.11 H new ATOM 0 HA ALA A 48 15.096 -3.131 -9.469 1.00 44.20 H new ATOM 0 HB1 ALA A 48 14.514 -1.992 -7.348 1.00 54.31 H new ATOM 0 HB2 ALA A 48 15.688 -1.055 -8.302 1.00 54.31 H new ATOM 0 HB3 ALA A 48 13.977 -0.568 -8.270 1.00 54.31 H new ATOM 718 N PHE A 49 12.017 -2.243 -10.055 1.00 71.23 N ATOM 719 CA PHE A 49 10.625 -2.720 -10.121 1.00 12.22 C ATOM 720 C PHE A 49 10.553 -4.197 -10.553 1.00 22.10 C ATOM 721 O PHE A 49 9.732 -4.968 -10.047 1.00 11.55 O ATOM 722 CB PHE A 49 9.811 -1.861 -11.108 1.00 24.34 C ATOM 723 CG PHE A 49 9.583 -0.433 -10.662 1.00 2.13 C ATOM 724 CD1 PHE A 49 10.620 0.488 -10.662 1.00 21.03 C ATOM 725 CD2 PHE A 49 8.326 -0.014 -10.250 1.00 0.31 C ATOM 726 CE1 PHE A 49 10.410 1.794 -10.258 1.00 34.14 C ATOM 727 CE2 PHE A 49 8.113 1.291 -9.845 1.00 22.33 C ATOM 728 CZ PHE A 49 9.156 2.195 -9.848 1.00 3.22 C ATOM 0 H PHE A 49 12.180 -1.372 -10.560 1.00 71.23 H new ATOM 0 HA PHE A 49 10.202 -2.632 -9.120 1.00 12.22 H new ATOM 0 HB2 PHE A 49 10.325 -1.850 -12.069 1.00 24.34 H new ATOM 0 HB3 PHE A 49 8.843 -2.336 -11.270 1.00 24.34 H new ATOM 0 HD1 PHE A 49 11.605 0.181 -10.982 1.00 21.03 H new ATOM 0 HD2 PHE A 49 7.505 -0.715 -10.246 1.00 0.31 H new ATOM 0 HE1 PHE A 49 11.228 2.499 -10.264 1.00 34.14 H new ATOM 0 HE2 PHE A 49 7.130 1.603 -9.526 1.00 22.33 H new ATOM 0 HZ PHE A 49 8.990 3.214 -9.530 1.00 3.22 H new ATOM 738 N ASP A 50 11.429 -4.575 -11.482 1.00 11.01 N ATOM 739 CA ASP A 50 11.467 -5.938 -12.020 1.00 22.44 C ATOM 740 C ASP A 50 12.058 -6.931 -11.004 1.00 62.50 C ATOM 741 O ASP A 50 11.545 -8.034 -10.821 1.00 63.41 O ATOM 742 CB ASP A 50 12.299 -5.954 -13.311 1.00 51.11 C ATOM 743 CG ASP A 50 12.105 -7.227 -14.118 1.00 31.31 C ATOM 744 OD1 ASP A 50 12.674 -8.277 -13.746 1.00 41.34 O ATOM 745 OD2 ASP A 50 11.368 -7.184 -15.127 1.00 32.30 O ATOM 0 H ASP A 50 12.129 -3.951 -11.883 1.00 11.01 H new ATOM 0 HA ASP A 50 10.444 -6.250 -12.232 1.00 22.44 H new ATOM 0 HB2 ASP A 50 12.027 -5.095 -13.924 1.00 51.11 H new ATOM 0 HB3 ASP A 50 13.354 -5.845 -13.060 1.00 51.11 H new ATOM 750 N ALA A 51 13.136 -6.525 -10.337 1.00 75.41 N ATOM 751 CA ALA A 51 13.883 -7.421 -9.444 1.00 13.20 C ATOM 752 C ALA A 51 13.322 -7.450 -8.011 1.00 31.34 C ATOM 753 O ALA A 51 13.790 -8.223 -7.178 1.00 51.34 O ATOM 754 CB ALA A 51 15.354 -7.016 -9.427 1.00 54.25 C ATOM 0 H ALA A 51 13.516 -5.580 -10.395 1.00 75.41 H new ATOM 0 HA ALA A 51 13.776 -8.431 -9.838 1.00 13.20 H new ATOM 0 HB1 ALA A 51 15.907 -7.682 -8.764 1.00 54.25 H new ATOM 0 HB2 ALA A 51 15.762 -7.086 -10.435 1.00 54.25 H new ATOM 0 HB3 ALA A 51 15.445 -5.990 -9.070 1.00 54.25 H new ATOM 760 N THR A 52 12.324 -6.616 -7.725 1.00 21.13 N ATOM 761 CA THR A 52 11.759 -6.530 -6.369 1.00 72.21 C ATOM 762 C THR A 52 10.431 -7.288 -6.263 1.00 20.35 C ATOM 763 O THR A 52 9.452 -6.936 -6.921 1.00 33.34 O ATOM 764 CB THR A 52 11.541 -5.059 -5.930 1.00 64.31 C ATOM 765 OG1 THR A 52 12.787 -4.347 -5.967 1.00 42.20 O ATOM 766 CG2 THR A 52 10.956 -4.977 -4.520 1.00 23.14 C ATOM 0 H THR A 52 11.889 -5.992 -8.405 1.00 21.13 H new ATOM 0 HA THR A 52 12.488 -6.993 -5.703 1.00 72.21 H new ATOM 0 HB THR A 52 10.833 -4.607 -6.624 1.00 64.31 H new ATOM 0 HG1 THR A 52 12.990 -4.091 -6.891 1.00 42.20 H new ATOM 0 HG21 THR A 52 10.816 -3.932 -4.244 1.00 23.14 H new ATOM 0 HG22 THR A 52 9.995 -5.491 -4.494 1.00 23.14 H new ATOM 0 HG23 THR A 52 11.639 -5.450 -3.815 1.00 23.14 H new ATOM 774 N THR A 53 10.406 -8.322 -5.427 1.00 22.34 N ATOM 775 CA THR A 53 9.213 -9.166 -5.257 1.00 21.23 C ATOM 776 C THR A 53 8.424 -8.804 -3.994 1.00 13.11 C ATOM 777 O THR A 53 8.919 -8.944 -2.876 1.00 30.44 O ATOM 778 CB THR A 53 9.580 -10.667 -5.195 1.00 32.33 C ATOM 779 OG1 THR A 53 10.516 -10.908 -4.129 1.00 42.32 O ATOM 780 CG2 THR A 53 10.176 -11.142 -6.518 1.00 74.24 C ATOM 0 H THR A 53 11.200 -8.602 -4.851 1.00 22.34 H new ATOM 0 HA THR A 53 8.590 -8.978 -6.131 1.00 21.23 H new ATOM 0 HB THR A 53 8.664 -11.228 -5.006 1.00 32.33 H new ATOM 0 HG1 THR A 53 10.249 -10.396 -3.337 1.00 42.32 H new ATOM 0 HG21 THR A 53 10.425 -12.201 -6.446 1.00 74.24 H new ATOM 0 HG22 THR A 53 9.451 -10.993 -7.318 1.00 74.24 H new ATOM 0 HG23 THR A 53 11.079 -10.571 -6.736 1.00 74.24 H new ATOM 788 N VAL A 54 7.188 -8.354 -4.192 1.00 40.52 N ATOM 789 CA VAL A 54 6.291 -7.985 -3.094 1.00 35.53 C ATOM 790 C VAL A 54 5.439 -9.192 -2.650 1.00 53.33 C ATOM 791 O VAL A 54 5.160 -10.097 -3.443 1.00 64.44 O ATOM 792 CB VAL A 54 5.361 -6.816 -3.520 1.00 73.55 C ATOM 793 CG1 VAL A 54 4.508 -6.326 -2.349 1.00 62.34 C ATOM 794 CG2 VAL A 54 6.178 -5.668 -4.113 1.00 14.13 C ATOM 0 H VAL A 54 6.777 -8.234 -5.118 1.00 40.52 H new ATOM 0 HA VAL A 54 6.906 -7.663 -2.254 1.00 35.53 H new ATOM 0 HB VAL A 54 4.684 -7.191 -4.287 1.00 73.55 H new ATOM 0 HG11 VAL A 54 3.869 -5.508 -2.682 1.00 62.34 H new ATOM 0 HG12 VAL A 54 3.888 -7.145 -1.983 1.00 62.34 H new ATOM 0 HG13 VAL A 54 5.158 -5.976 -1.547 1.00 62.34 H new ATOM 0 HG21 VAL A 54 5.509 -4.859 -4.405 1.00 14.13 H new ATOM 0 HG22 VAL A 54 6.886 -5.303 -3.369 1.00 14.13 H new ATOM 0 HG23 VAL A 54 6.722 -6.023 -4.988 1.00 14.13 H new ATOM 804 N LYS A 55 5.029 -9.196 -1.384 1.00 64.31 N ATOM 805 CA LYS A 55 4.258 -10.309 -0.812 1.00 40.43 C ATOM 806 C LYS A 55 3.141 -9.800 0.118 1.00 34.34 C ATOM 807 O LYS A 55 3.025 -8.601 0.368 1.00 74.05 O ATOM 808 CB LYS A 55 5.211 -11.248 -0.057 1.00 42.34 C ATOM 809 CG LYS A 55 6.099 -10.525 0.953 1.00 61.44 C ATOM 810 CD LYS A 55 7.150 -11.451 1.561 1.00 3.02 C ATOM 811 CE LYS A 55 8.047 -10.716 2.552 1.00 55.52 C ATOM 812 NZ LYS A 55 9.169 -11.572 3.020 1.00 13.13 N ATOM 0 H LYS A 55 5.217 -8.438 -0.727 1.00 64.31 H new ATOM 0 HA LYS A 55 3.776 -10.856 -1.623 1.00 40.43 H new ATOM 0 HB2 LYS A 55 4.626 -12.007 0.462 1.00 42.34 H new ATOM 0 HB3 LYS A 55 5.842 -11.769 -0.777 1.00 42.34 H new ATOM 0 HG2 LYS A 55 6.595 -9.686 0.464 1.00 61.44 H new ATOM 0 HG3 LYS A 55 5.479 -10.110 1.748 1.00 61.44 H new ATOM 0 HD2 LYS A 55 6.655 -12.281 2.065 1.00 3.02 H new ATOM 0 HD3 LYS A 55 7.761 -11.879 0.766 1.00 3.02 H new ATOM 0 HE2 LYS A 55 8.447 -9.817 2.083 1.00 55.52 H new ATOM 0 HE3 LYS A 55 7.455 -10.393 3.408 1.00 55.52 H new ATOM 0 HZ1 LYS A 55 9.756 -11.038 3.692 1.00 13.13 H new ATOM 0 HZ2 LYS A 55 8.788 -12.418 3.490 1.00 13.13 H new ATOM 0 HZ3 LYS A 55 9.749 -11.860 2.206 1.00 13.13 H new ATOM 826 N ASP A 56 2.321 -10.720 0.629 1.00 70.23 N ATOM 827 CA ASP A 56 1.177 -10.360 1.475 1.00 75.32 C ATOM 828 C ASP A 56 1.635 -9.679 2.780 1.00 31.11 C ATOM 829 O ASP A 56 2.602 -10.108 3.419 1.00 73.30 O ATOM 830 CB ASP A 56 0.349 -11.611 1.795 1.00 2.44 C ATOM 831 CG ASP A 56 -1.066 -11.279 2.244 1.00 21.33 C ATOM 832 OD1 ASP A 56 -1.234 -10.688 3.326 1.00 14.55 O ATOM 833 OD2 ASP A 56 -2.018 -11.594 1.500 1.00 50.54 O ATOM 0 H ASP A 56 2.427 -11.722 0.472 1.00 70.23 H new ATOM 0 HA ASP A 56 0.560 -9.649 0.925 1.00 75.32 H new ATOM 0 HB2 ASP A 56 0.305 -12.249 0.912 1.00 2.44 H new ATOM 0 HB3 ASP A 56 0.849 -12.183 2.577 1.00 2.44 H new ATOM 838 N GLY A 57 0.926 -8.620 3.170 1.00 31.11 N ATOM 839 CA GLY A 57 1.271 -7.872 4.375 1.00 35.32 C ATOM 840 C GLY A 57 2.381 -6.851 4.150 1.00 33.21 C ATOM 841 O GLY A 57 3.194 -6.602 5.044 1.00 13.21 O ATOM 0 H GLY A 57 0.112 -8.263 2.670 1.00 31.11 H new ATOM 0 HA2 GLY A 57 0.383 -7.358 4.743 1.00 35.32 H new ATOM 0 HA3 GLY A 57 1.581 -8.570 5.152 1.00 35.32 H new ATOM 845 N ASP A 58 2.418 -6.257 2.958 1.00 21.52 N ATOM 846 CA ASP A 58 3.435 -5.252 2.616 1.00 60.21 C ATOM 847 C ASP A 58 2.803 -3.844 2.505 1.00 3.35 C ATOM 848 O ASP A 58 1.587 -3.688 2.648 1.00 51.03 O ATOM 849 CB ASP A 58 4.121 -5.654 1.303 1.00 62.12 C ATOM 850 CG ASP A 58 5.409 -4.891 1.054 1.00 53.03 C ATOM 851 OD1 ASP A 58 6.475 -5.348 1.519 1.00 70.14 O ATOM 852 OD2 ASP A 58 5.361 -3.827 0.413 1.00 33.22 O ATOM 0 H ASP A 58 1.755 -6.452 2.208 1.00 21.52 H new ATOM 0 HA ASP A 58 4.181 -5.211 3.409 1.00 60.21 H new ATOM 0 HB2 ASP A 58 4.335 -6.723 1.323 1.00 62.12 H new ATOM 0 HB3 ASP A 58 3.436 -5.482 0.473 1.00 62.12 H new ATOM 857 N ALA A 59 3.623 -2.823 2.250 1.00 30.11 N ATOM 858 CA ALA A 59 3.133 -1.444 2.152 1.00 31.10 C ATOM 859 C ALA A 59 3.812 -0.659 1.016 1.00 52.21 C ATOM 860 O ALA A 59 4.866 -0.051 1.206 1.00 42.25 O ATOM 861 CB ALA A 59 3.327 -0.722 3.482 1.00 34.04 C ATOM 0 H ALA A 59 4.628 -2.923 2.108 1.00 30.11 H new ATOM 0 HA ALA A 59 2.070 -1.495 1.916 1.00 31.10 H new ATOM 0 HB1 ALA A 59 2.960 0.301 3.398 1.00 34.04 H new ATOM 0 HB2 ALA A 59 2.773 -1.243 4.263 1.00 34.04 H new ATOM 0 HB3 ALA A 59 4.387 -0.707 3.737 1.00 34.04 H new ATOM 867 N VAL A 60 3.201 -0.675 -0.167 1.00 32.44 N ATOM 868 CA VAL A 60 3.705 0.093 -1.312 1.00 14.34 C ATOM 869 C VAL A 60 2.948 1.426 -1.466 1.00 73.14 C ATOM 870 O VAL A 60 1.739 1.453 -1.722 1.00 70.00 O ATOM 871 CB VAL A 60 3.612 -0.732 -2.626 1.00 12.44 C ATOM 872 CG1 VAL A 60 2.188 -1.233 -2.874 1.00 63.00 C ATOM 873 CG2 VAL A 60 4.123 0.077 -3.818 1.00 51.11 C ATOM 0 H VAL A 60 2.355 -1.211 -0.361 1.00 32.44 H new ATOM 0 HA VAL A 60 4.754 0.314 -1.118 1.00 14.34 H new ATOM 0 HB VAL A 60 4.253 -1.606 -2.511 1.00 12.44 H new ATOM 0 HG11 VAL A 60 2.160 -1.806 -3.801 1.00 63.00 H new ATOM 0 HG12 VAL A 60 1.876 -1.869 -2.045 1.00 63.00 H new ATOM 0 HG13 VAL A 60 1.511 -0.382 -2.953 1.00 63.00 H new ATOM 0 HG21 VAL A 60 4.047 -0.523 -4.725 1.00 51.11 H new ATOM 0 HG22 VAL A 60 3.523 0.980 -3.929 1.00 51.11 H new ATOM 0 HG23 VAL A 60 5.164 0.352 -3.651 1.00 51.11 H new ATOM 883 N GLU A 61 3.661 2.538 -1.301 1.00 11.23 N ATOM 884 CA GLU A 61 3.037 3.863 -1.365 1.00 52.35 C ATOM 885 C GLU A 61 2.905 4.379 -2.805 1.00 20.01 C ATOM 886 O GLU A 61 3.835 4.957 -3.362 1.00 33.10 O ATOM 887 CB GLU A 61 3.816 4.875 -0.512 1.00 42.23 C ATOM 888 CG GLU A 61 3.790 4.569 0.984 1.00 50.41 C ATOM 889 CD GLU A 61 4.475 5.641 1.823 1.00 45.12 C ATOM 890 OE1 GLU A 61 3.884 6.725 2.005 1.00 0.42 O ATOM 891 OE2 GLU A 61 5.595 5.399 2.317 1.00 72.23 O ATOM 0 H GLU A 61 4.665 2.551 -1.123 1.00 11.23 H new ATOM 0 HA GLU A 61 2.030 3.755 -0.962 1.00 52.35 H new ATOM 0 HB2 GLU A 61 4.852 4.900 -0.850 1.00 42.23 H new ATOM 0 HB3 GLU A 61 3.402 5.870 -0.677 1.00 42.23 H new ATOM 0 HG2 GLU A 61 2.755 4.466 1.310 1.00 50.41 H new ATOM 0 HG3 GLU A 61 4.277 3.610 1.162 1.00 50.41 H new ATOM 898 N PHE A 62 1.748 4.124 -3.411 1.00 2.33 N ATOM 899 CA PHE A 62 1.393 4.733 -4.696 1.00 65.13 C ATOM 900 C PHE A 62 0.909 6.176 -4.502 1.00 11.13 C ATOM 901 O PHE A 62 -0.063 6.418 -3.791 1.00 53.35 O ATOM 902 CB PHE A 62 0.301 3.910 -5.404 1.00 22.04 C ATOM 903 CG PHE A 62 0.841 2.835 -6.311 1.00 53.50 C ATOM 904 CD1 PHE A 62 1.172 1.580 -5.819 1.00 14.42 C ATOM 905 CD2 PHE A 62 1.020 3.090 -7.662 1.00 75.13 C ATOM 906 CE1 PHE A 62 1.670 0.602 -6.662 1.00 63.25 C ATOM 907 CE2 PHE A 62 1.516 2.117 -8.505 1.00 60.33 C ATOM 908 CZ PHE A 62 1.842 0.874 -8.006 1.00 42.15 C ATOM 0 H PHE A 62 1.036 3.498 -3.034 1.00 2.33 H new ATOM 0 HA PHE A 62 2.288 4.744 -5.318 1.00 65.13 H new ATOM 0 HB2 PHE A 62 -0.339 3.450 -4.651 1.00 22.04 H new ATOM 0 HB3 PHE A 62 -0.327 4.583 -5.988 1.00 22.04 H new ATOM 0 HD1 PHE A 62 1.040 1.365 -4.769 1.00 14.42 H new ATOM 0 HD2 PHE A 62 0.768 4.062 -8.059 1.00 75.13 H new ATOM 0 HE1 PHE A 62 1.924 -0.372 -6.270 1.00 63.25 H new ATOM 0 HE2 PHE A 62 1.649 2.329 -9.556 1.00 60.33 H new ATOM 0 HZ PHE A 62 2.232 0.113 -8.665 1.00 42.15 H new ATOM 918 N LEU A 63 1.598 7.130 -5.122 1.00 41.04 N ATOM 919 CA LEU A 63 1.189 8.540 -5.067 1.00 22.42 C ATOM 920 C LEU A 63 1.002 9.108 -6.478 1.00 14.55 C ATOM 921 O LEU A 63 1.826 8.874 -7.363 1.00 61.54 O ATOM 922 CB LEU A 63 2.228 9.373 -4.300 1.00 2.41 C ATOM 923 CG LEU A 63 2.539 8.894 -2.872 1.00 21.11 C ATOM 924 CD1 LEU A 63 3.583 9.789 -2.216 1.00 60.43 C ATOM 925 CD2 LEU A 63 1.269 8.840 -2.022 1.00 20.11 C ATOM 0 H LEU A 63 2.442 6.958 -5.669 1.00 41.04 H new ATOM 0 HA LEU A 63 0.236 8.594 -4.541 1.00 22.42 H new ATOM 0 HB2 LEU A 63 3.156 9.380 -4.872 1.00 2.41 H new ATOM 0 HB3 LEU A 63 1.876 10.404 -4.250 1.00 2.41 H new ATOM 0 HG LEU A 63 2.945 7.885 -2.940 1.00 21.11 H new ATOM 0 HD11 LEU A 63 3.787 9.431 -1.207 1.00 60.43 H new ATOM 0 HD12 LEU A 63 4.502 9.766 -2.802 1.00 60.43 H new ATOM 0 HD13 LEU A 63 3.208 10.811 -2.169 1.00 60.43 H new ATOM 0 HD21 LEU A 63 1.518 8.498 -1.017 1.00 20.11 H new ATOM 0 HD22 LEU A 63 0.825 9.834 -1.968 1.00 20.11 H new ATOM 0 HD23 LEU A 63 0.558 8.149 -2.474 1.00 20.11 H new ATOM 937 N TYR A 64 -0.077 9.860 -6.689 1.00 2.13 N ATOM 938 CA TYR A 64 -0.360 10.446 -8.010 1.00 51.52 C ATOM 939 C TYR A 64 0.491 11.706 -8.294 1.00 43.22 C ATOM 940 O TYR A 64 0.043 12.631 -8.974 1.00 32.21 O ATOM 941 CB TYR A 64 -1.869 10.735 -8.173 1.00 25.45 C ATOM 942 CG TYR A 64 -2.455 11.871 -7.330 1.00 44.51 C ATOM 943 CD1 TYR A 64 -1.997 12.167 -6.045 1.00 13.41 C ATOM 944 CD2 TYR A 64 -3.498 12.643 -7.837 1.00 62.20 C ATOM 945 CE1 TYR A 64 -2.563 13.190 -5.301 1.00 30.53 C ATOM 946 CE2 TYR A 64 -4.066 13.660 -7.096 1.00 4.43 C ATOM 947 CZ TYR A 64 -3.597 13.931 -5.833 1.00 61.43 C ATOM 948 OH TYR A 64 -4.181 14.939 -5.095 1.00 23.12 O ATOM 0 H TYR A 64 -0.768 10.080 -5.972 1.00 2.13 H new ATOM 0 HA TYR A 64 -0.072 9.705 -8.756 1.00 51.52 H new ATOM 0 HB2 TYR A 64 -2.059 10.959 -9.223 1.00 25.45 H new ATOM 0 HB3 TYR A 64 -2.416 9.822 -7.938 1.00 25.45 H new ATOM 0 HD1 TYR A 64 -1.188 11.589 -5.624 1.00 13.41 H new ATOM 0 HD2 TYR A 64 -3.870 12.442 -8.831 1.00 62.20 H new ATOM 0 HE1 TYR A 64 -2.196 13.406 -4.309 1.00 30.53 H new ATOM 0 HE2 TYR A 64 -4.877 14.242 -7.508 1.00 4.43 H new ATOM 0 HH TYR A 64 -3.518 15.323 -4.484 1.00 23.12 H new ATOM 958 N PHE A 65 1.735 11.700 -7.793 1.00 5.35 N ATOM 959 CA PHE A 65 2.721 12.762 -8.053 1.00 2.43 C ATOM 960 C PHE A 65 2.328 14.118 -7.433 1.00 13.14 C ATOM 961 O PHE A 65 1.147 14.444 -7.291 1.00 34.53 O ATOM 962 CB PHE A 65 2.959 12.931 -9.564 1.00 72.03 C ATOM 963 CG PHE A 65 3.482 11.688 -10.243 1.00 32.14 C ATOM 964 CD1 PHE A 65 4.841 11.405 -10.248 1.00 14.30 C ATOM 965 CD2 PHE A 65 2.615 10.808 -10.879 1.00 63.22 C ATOM 966 CE1 PHE A 65 5.323 10.270 -10.873 1.00 65.43 C ATOM 967 CE2 PHE A 65 3.094 9.672 -11.503 1.00 52.33 C ATOM 968 CZ PHE A 65 4.449 9.404 -11.500 1.00 73.24 C ATOM 0 H PHE A 65 2.088 10.955 -7.193 1.00 5.35 H new ATOM 0 HA PHE A 65 3.644 12.441 -7.570 1.00 2.43 H new ATOM 0 HB2 PHE A 65 2.023 13.226 -10.039 1.00 72.03 H new ATOM 0 HB3 PHE A 65 3.667 13.745 -9.722 1.00 72.03 H new ATOM 0 HD1 PHE A 65 5.529 12.079 -9.759 1.00 14.30 H new ATOM 0 HD2 PHE A 65 1.555 11.014 -10.886 1.00 63.22 H new ATOM 0 HE1 PHE A 65 6.383 10.061 -10.871 1.00 65.43 H new ATOM 0 HE2 PHE A 65 2.410 8.995 -11.992 1.00 52.33 H new ATOM 0 HZ PHE A 65 4.825 8.517 -11.988 1.00 73.24 H new ATOM 978 N MET A 66 3.338 14.907 -7.062 1.00 43.22 N ATOM 979 CA MET A 66 3.116 16.274 -6.576 1.00 22.20 C ATOM 980 C MET A 66 2.674 17.189 -7.728 1.00 52.03 C ATOM 981 O MET A 66 3.471 17.958 -8.278 1.00 14.01 O ATOM 982 CB MET A 66 4.386 16.830 -5.915 1.00 71.43 C ATOM 983 CG MET A 66 4.844 16.039 -4.698 1.00 3.20 C ATOM 984 SD MET A 66 6.358 16.702 -3.973 1.00 22.34 S ATOM 985 CE MET A 66 6.610 15.568 -2.604 1.00 3.33 C ATOM 0 H MET A 66 4.318 14.625 -7.088 1.00 43.22 H new ATOM 0 HA MET A 66 2.323 16.244 -5.829 1.00 22.20 H new ATOM 0 HB2 MET A 66 5.190 16.844 -6.651 1.00 71.43 H new ATOM 0 HB3 MET A 66 4.207 17.863 -5.618 1.00 71.43 H new ATOM 0 HG2 MET A 66 4.054 16.043 -3.948 1.00 3.20 H new ATOM 0 HG3 MET A 66 5.007 15.000 -4.984 1.00 3.20 H new ATOM 0 HE1 MET A 66 7.511 15.850 -2.059 1.00 3.33 H new ATOM 0 HE2 MET A 66 5.752 15.611 -1.933 1.00 3.33 H new ATOM 0 HE3 MET A 66 6.720 14.554 -2.987 1.00 3.33 H new ATOM 995 N GLY A 67 1.410 17.065 -8.120 1.00 44.50 N ATOM 996 CA GLY A 67 0.876 17.871 -9.214 1.00 42.12 C ATOM 997 C GLY A 67 -0.626 18.134 -9.106 1.00 72.42 C ATOM 998 O GLY A 67 -1.158 18.994 -9.812 1.00 61.53 O ATOM 0 H GLY A 67 0.740 16.420 -7.701 1.00 44.50 H new ATOM 0 HA2 GLY A 67 1.402 18.825 -9.241 1.00 42.12 H new ATOM 0 HA3 GLY A 67 1.081 17.367 -10.159 1.00 42.12 H new ATOM 1002 N GLY A 68 -1.313 17.380 -8.246 1.00 0.11 N ATOM 1003 CA GLY A 68 -2.747 17.588 -8.027 1.00 52.44 C ATOM 1004 C GLY A 68 -3.628 17.031 -9.146 1.00 12.31 C ATOM 1005 O GLY A 68 -4.457 16.151 -8.913 1.00 63.20 O ATOM 0 H GLY A 68 -0.905 16.626 -7.694 1.00 0.11 H new ATOM 0 HA2 GLY A 68 -3.033 17.120 -7.085 1.00 52.44 H new ATOM 0 HA3 GLY A 68 -2.938 18.656 -7.924 1.00 52.44 H new ATOM 1009 N GLY A 69 -3.455 17.550 -10.361 1.00 5.34 N ATOM 1010 CA GLY A 69 -4.271 17.109 -11.491 1.00 75.41 C ATOM 1011 C GLY A 69 -5.642 17.779 -11.529 1.00 42.12 C ATOM 1012 O GLY A 69 -6.649 17.129 -11.810 1.00 21.23 O ATOM 0 H GLY A 69 -2.766 18.267 -10.587 1.00 5.34 H new ATOM 0 HA2 GLY A 69 -3.742 17.322 -12.420 1.00 75.41 H new ATOM 0 HA3 GLY A 69 -4.401 16.028 -11.439 1.00 75.41 H new ATOM 1016 N LYS A 70 -5.665 19.088 -11.247 1.00 41.12 N ATOM 1017 CA LYS A 70 -6.903 19.885 -11.204 1.00 74.45 C ATOM 1018 C LYS A 70 -7.834 19.465 -10.051 1.00 45.33 C ATOM 1019 O LYS A 70 -7.750 18.351 -9.528 1.00 10.11 O ATOM 1020 CB LYS A 70 -7.652 19.826 -12.549 1.00 31.51 C ATOM 1021 CG LYS A 70 -6.934 20.549 -13.686 1.00 14.11 C ATOM 1022 CD LYS A 70 -6.790 22.044 -13.399 1.00 14.12 C ATOM 1023 CE LYS A 70 -6.111 22.787 -14.545 1.00 54.55 C ATOM 1024 NZ LYS A 70 -6.062 24.256 -14.304 1.00 43.23 N ATOM 0 H LYS A 70 -4.824 19.628 -11.041 1.00 41.12 H new ATOM 0 HA LYS A 70 -6.600 20.916 -11.018 1.00 74.45 H new ATOM 0 HB2 LYS A 70 -7.796 18.782 -12.828 1.00 31.51 H new ATOM 0 HB3 LYS A 70 -8.643 20.262 -12.422 1.00 31.51 H new ATOM 0 HG2 LYS A 70 -5.947 20.109 -13.832 1.00 14.11 H new ATOM 0 HG3 LYS A 70 -7.487 20.408 -14.615 1.00 14.11 H new ATOM 0 HD2 LYS A 70 -7.775 22.475 -13.222 1.00 14.12 H new ATOM 0 HD3 LYS A 70 -6.212 22.183 -12.485 1.00 14.12 H new ATOM 0 HE2 LYS A 70 -5.098 22.407 -14.674 1.00 54.55 H new ATOM 0 HE3 LYS A 70 -6.647 22.589 -15.474 1.00 54.55 H new ATOM 0 HZ1 LYS A 70 -5.593 24.724 -15.106 1.00 43.23 H new ATOM 0 HZ2 LYS A 70 -7.030 24.624 -14.206 1.00 43.23 H new ATOM 0 HZ3 LYS A 70 -5.529 24.447 -13.432 1.00 43.23 H new ATOM 1038 N LEU A 71 -8.724 20.373 -9.655 1.00 41.23 N ATOM 1039 CA LEU A 71 -9.649 20.118 -8.550 1.00 42.12 C ATOM 1040 C LEU A 71 -10.814 19.229 -9.028 1.00 65.02 C ATOM 1041 O LEU A 71 -11.837 19.726 -9.507 1.00 63.32 O ATOM 1042 CB LEU A 71 -10.162 21.453 -7.972 1.00 74.32 C ATOM 1043 CG LEU A 71 -10.456 21.465 -6.457 1.00 44.10 C ATOM 1044 CD1 LEU A 71 -10.896 22.854 -6.000 1.00 15.53 C ATOM 1045 CD2 LEU A 71 -11.509 20.426 -6.088 1.00 15.13 C ATOM 0 H LEU A 71 -8.825 21.293 -10.083 1.00 41.23 H new ATOM 0 HA LEU A 71 -9.125 19.586 -7.756 1.00 42.12 H new ATOM 0 HB2 LEU A 71 -9.424 22.226 -8.185 1.00 74.32 H new ATOM 0 HB3 LEU A 71 -11.074 21.729 -8.501 1.00 74.32 H new ATOM 0 HG LEU A 71 -9.532 21.207 -5.941 1.00 44.10 H new ATOM 0 HD11 LEU A 71 -11.098 22.838 -4.929 1.00 15.53 H new ATOM 0 HD12 LEU A 71 -10.105 23.574 -6.209 1.00 15.53 H new ATOM 0 HD13 LEU A 71 -11.800 23.144 -6.535 1.00 15.53 H new ATOM 0 HD21 LEU A 71 -11.693 20.460 -5.014 1.00 15.13 H new ATOM 0 HD22 LEU A 71 -12.435 20.641 -6.622 1.00 15.13 H new ATOM 0 HD23 LEU A 71 -11.153 19.433 -6.364 1.00 15.13 H new ATOM 1057 N GLU A 72 -10.635 17.913 -8.903 1.00 4.23 N ATOM 1058 CA GLU A 72 -11.611 16.921 -9.394 1.00 32.35 C ATOM 1059 C GLU A 72 -13.056 17.184 -8.912 1.00 21.41 C ATOM 1060 O GLU A 72 -14.011 16.977 -9.661 1.00 70.22 O ATOM 1061 CB GLU A 72 -11.154 15.495 -9.015 1.00 24.01 C ATOM 1062 CG GLU A 72 -10.430 15.376 -7.667 1.00 31.32 C ATOM 1063 CD GLU A 72 -11.292 15.753 -6.470 1.00 34.31 C ATOM 1064 OE1 GLU A 72 -12.133 14.927 -6.053 1.00 42.51 O ATOM 1065 OE2 GLU A 72 -11.144 16.882 -5.951 1.00 54.51 O ATOM 0 H GLU A 72 -9.814 17.499 -8.461 1.00 4.23 H new ATOM 0 HA GLU A 72 -11.638 17.020 -10.479 1.00 32.35 H new ATOM 0 HB2 GLU A 72 -12.028 14.843 -8.998 1.00 24.01 H new ATOM 0 HB3 GLU A 72 -10.493 15.123 -9.798 1.00 24.01 H new ATOM 0 HG2 GLU A 72 -10.080 14.351 -7.542 1.00 31.32 H new ATOM 0 HG3 GLU A 72 -9.547 16.015 -7.682 1.00 31.32 H new ATOM 1072 N HIS A 73 -13.207 17.635 -7.671 1.00 44.10 N ATOM 1073 CA HIS A 73 -14.519 17.965 -7.106 1.00 43.31 C ATOM 1074 C HIS A 73 -14.347 18.664 -5.751 1.00 14.34 C ATOM 1075 O HIS A 73 -14.859 19.765 -5.543 1.00 51.00 O ATOM 1076 CB HIS A 73 -15.390 16.706 -6.953 1.00 25.04 C ATOM 1077 CG HIS A 73 -16.829 17.012 -6.653 1.00 32.35 C ATOM 1078 ND1 HIS A 73 -17.400 16.838 -5.410 1.00 61.30 N ATOM 1079 CD2 HIS A 73 -17.818 17.487 -7.452 1.00 60.20 C ATOM 1080 CE1 HIS A 73 -18.669 17.196 -5.455 1.00 2.32 C ATOM 1081 NE2 HIS A 73 -18.947 17.593 -6.679 1.00 70.24 N ATOM 0 H HIS A 73 -12.429 17.783 -7.028 1.00 44.10 H new ATOM 0 HA HIS A 73 -15.027 18.642 -7.793 1.00 43.31 H new ATOM 0 HB2 HIS A 73 -15.334 16.120 -7.871 1.00 25.04 H new ATOM 0 HB3 HIS A 73 -14.983 16.086 -6.154 1.00 25.04 H new ATOM 0 HD2 HIS A 73 -17.733 17.735 -8.500 1.00 60.20 H new ATOM 0 HE1 HIS A 73 -19.363 17.168 -4.628 1.00 2.32 H new ATOM 0 HE2 HIS A 73 -19.856 17.926 -7.001 1.00 70.24 H new ATOM 1090 N HIS A 74 -13.609 18.016 -4.843 1.00 62.15 N ATOM 1091 CA HIS A 74 -13.242 18.609 -3.546 1.00 22.11 C ATOM 1092 C HIS A 74 -12.391 17.632 -2.713 1.00 61.52 C ATOM 1093 O HIS A 74 -12.832 17.127 -1.680 1.00 2.00 O ATOM 1094 CB HIS A 74 -14.487 19.039 -2.743 1.00 22.52 C ATOM 1095 CG HIS A 74 -14.177 19.964 -1.595 1.00 72.43 C ATOM 1096 ND1 HIS A 74 -14.411 21.324 -1.635 1.00 55.22 N ATOM 1097 CD2 HIS A 74 -13.646 19.721 -0.371 1.00 41.54 C ATOM 1098 CE1 HIS A 74 -14.041 21.870 -0.495 1.00 5.34 C ATOM 1099 NE2 HIS A 74 -13.574 20.924 0.290 1.00 3.45 N ATOM 0 H HIS A 74 -13.250 17.072 -4.982 1.00 62.15 H new ATOM 0 HA HIS A 74 -12.650 19.500 -3.758 1.00 22.11 H new ATOM 0 HB2 HIS A 74 -15.190 19.531 -3.415 1.00 22.52 H new ATOM 0 HB3 HIS A 74 -14.985 18.149 -2.357 1.00 22.52 H new ATOM 0 HD2 HIS A 74 -13.337 18.760 0.013 1.00 41.54 H new ATOM 0 HE1 HIS A 74 -14.110 22.919 -0.247 1.00 5.34 H new ATOM 0 HE2 HIS A 74 -13.217 21.061 1.235 1.00 3.45 H new ATOM 1108 N HIS A 75 -11.178 17.345 -3.183 1.00 74.42 N ATOM 1109 CA HIS A 75 -10.241 16.490 -2.440 1.00 11.44 C ATOM 1110 C HIS A 75 -9.759 17.180 -1.144 1.00 0.21 C ATOM 1111 O HIS A 75 -9.261 18.303 -1.174 1.00 71.33 O ATOM 1112 CB HIS A 75 -9.050 16.080 -3.332 1.00 10.02 C ATOM 1113 CG HIS A 75 -8.252 17.214 -3.917 1.00 3.44 C ATOM 1114 ND1 HIS A 75 -8.611 18.466 -4.298 1.00 3.14 N flip ATOM 1115 CD2 HIS A 75 -6.908 17.108 -4.207 1.00 24.21 C flip ATOM 1116 CE1 HIS A 75 -7.488 19.074 -4.803 1.00 35.22 C flip ATOM 1117 NE2 HIS A 75 -6.477 18.235 -4.734 1.00 11.44 N flip ATOM 0 H HIS A 75 -10.817 17.689 -4.073 1.00 74.42 H new ATOM 0 HA HIS A 75 -10.772 15.583 -2.149 1.00 11.44 H new ATOM 0 HB2 HIS A 75 -8.379 15.453 -2.745 1.00 10.02 H new ATOM 0 HB3 HIS A 75 -9.427 15.465 -4.150 1.00 10.02 H new ATOM 0 HD2 HIS A 75 -6.301 16.233 -4.029 1.00 24.21 H new ATOM 0 HE1 HIS A 75 -7.442 20.080 -5.194 1.00 35.22 H new ATOM 0 HE2 HIS A 75 -5.522 18.425 -5.037 1.00 11.44 H new ATOM 1126 N HIS A 76 -9.884 16.475 -0.015 1.00 14.50 N ATOM 1127 CA HIS A 76 -9.643 17.051 1.326 1.00 23.11 C ATOM 1128 C HIS A 76 -8.160 17.431 1.584 1.00 44.42 C ATOM 1129 O HIS A 76 -7.780 17.740 2.715 1.00 14.23 O ATOM 1130 CB HIS A 76 -10.128 16.047 2.389 1.00 15.11 C ATOM 1131 CG HIS A 76 -10.314 16.630 3.763 1.00 64.22 C ATOM 1132 ND1 HIS A 76 -11.396 17.407 4.105 1.00 55.44 N ATOM 1133 CD2 HIS A 76 -9.557 16.541 4.888 1.00 15.21 C ATOM 1134 CE1 HIS A 76 -11.302 17.770 5.365 1.00 71.20 C ATOM 1135 NE2 HIS A 76 -10.198 17.260 5.866 1.00 15.33 N ATOM 0 H HIS A 76 -10.154 15.492 0.003 1.00 14.50 H new ATOM 0 HA HIS A 76 -10.203 17.984 1.385 1.00 23.11 H new ATOM 0 HB2 HIS A 76 -11.074 15.618 2.060 1.00 15.11 H new ATOM 0 HB3 HIS A 76 -9.411 15.228 2.450 1.00 15.11 H new ATOM 0 HD2 HIS A 76 -8.625 16.005 4.993 1.00 15.21 H new ATOM 0 HE1 HIS A 76 -12.012 18.384 5.899 1.00 71.20 H new ATOM 0 HE2 HIS A 76 -9.871 17.379 6.825 1.00 15.33 H new ATOM 1144 N HIS A 77 -7.329 17.424 0.542 1.00 62.21 N ATOM 1145 CA HIS A 77 -5.913 17.806 0.666 1.00 51.22 C ATOM 1146 C HIS A 77 -5.335 18.223 -0.695 1.00 73.53 C ATOM 1147 O HIS A 77 -6.058 18.278 -1.691 1.00 10.33 O ATOM 1148 CB HIS A 77 -5.083 16.647 1.244 1.00 53.44 C ATOM 1149 CG HIS A 77 -5.124 15.389 0.420 1.00 13.44 C ATOM 1150 ND1 HIS A 77 -4.480 15.255 -0.796 1.00 25.14 N ATOM 1151 CD2 HIS A 77 -5.730 14.199 0.647 1.00 72.54 C ATOM 1152 CE1 HIS A 77 -4.693 14.047 -1.275 1.00 11.03 C ATOM 1153 NE2 HIS A 77 -5.446 13.383 -0.422 1.00 35.41 N ATOM 0 H HIS A 77 -7.608 17.158 -0.402 1.00 62.21 H new ATOM 0 HA HIS A 77 -5.860 18.656 1.347 1.00 51.22 H new ATOM 0 HB2 HIS A 77 -4.047 16.970 1.342 1.00 53.44 H new ATOM 0 HB3 HIS A 77 -5.443 16.422 2.248 1.00 53.44 H new ATOM 0 HD2 HIS A 77 -6.326 13.939 1.509 1.00 72.54 H new ATOM 0 HE1 HIS A 77 -4.314 13.664 -2.211 1.00 11.03 H new ATOM 0 HE2 HIS A 77 -5.766 12.421 -0.536 1.00 35.41 H new ATOM 1162 N HIS A 78 -4.034 18.513 -0.730 1.00 1.42 N ATOM 1163 CA HIS A 78 -3.336 18.806 -1.989 1.00 20.55 C ATOM 1164 C HIS A 78 -2.581 17.552 -2.486 1.00 50.43 C ATOM 1165 O HIS A 78 -3.236 16.663 -3.073 1.00 37.50 O ATOM 1166 CB HIS A 78 -2.369 19.985 -1.790 1.00 34.02 C ATOM 1167 CG HIS A 78 -3.027 21.208 -1.226 1.00 22.54 C ATOM 1168 ND1 HIS A 78 -3.084 21.475 0.124 1.00 44.41 N ATOM 1169 CD2 HIS A 78 -3.667 22.236 -1.834 1.00 23.11 C ATOM 1170 CE1 HIS A 78 -3.726 22.606 0.323 1.00 74.03 C ATOM 1171 NE2 HIS A 78 -4.092 23.088 -0.846 1.00 64.33 N ATOM 1172 OXT HIS A 78 -1.356 17.444 -2.247 1.00 37.50 O ATOM 0 H HIS A 78 -3.439 18.552 0.098 1.00 1.42 H new ATOM 0 HA HIS A 78 -4.068 19.084 -2.747 1.00 20.55 H new ATOM 0 HB2 HIS A 78 -1.563 19.676 -1.124 1.00 34.02 H new ATOM 0 HB3 HIS A 78 -1.913 20.236 -2.747 1.00 34.02 H new ATOM 0 HD2 HIS A 78 -3.815 22.361 -2.896 1.00 23.11 H new ATOM 0 HE1 HIS A 78 -3.920 23.062 1.283 1.00 74.03 H new ATOM 0 HE2 HIS A 78 -4.608 23.955 -0.994 1.00 64.33 H new TER 1181 HIS A 78