USER MOD reduce.3.24.130724 H: found=0, std=0, add=1029, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 1029 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 34 LYS NZ :NH3+ -150:sc= 1.18 (180deg=0) USER MOD Set 1.2: A 58 SER OG : rot 64:sc= 1.92 USER MOD Set 2.1: A 26 TYR OH : rot 80:sc= -0.836 USER MOD Set 2.2: A 113 LYS NZ :NH3+ -174:sc= 0.495 (180deg=0.295) USER MOD Single : A 1 MET CE :methyl 167:sc= -0.0209 (180deg=-0.241) USER MOD Single : A 1 MET N :NH3+ 180:sc= -0.198 (180deg=-0.198) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 SER OG : rot -121:sc= 0.205 USER MOD Single : A 11 GLN : amide:sc= -1.15! K(o=-1.1!,f=-0.0082) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ -143:sc= 0.88 (180deg=0.409) USER MOD Single : A 20 LYS NZ :NH3+ 177:sc= 0.743 (180deg=0.737) USER MOD Single : A 29 GLN : amide:sc= -0.0753 X(o=-0.075,f=-0.38) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= -0.0114 USER MOD Single : A 32 ASN : amide:sc= 0.00119 X(o=0.0012,f=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ -143:sc= -0.178 (180deg=-1.91!) USER MOD Single : A 45 ASN : amide:sc= -0.138 K(o=-0.14,f=-2.8!) USER MOD Single : A 48 MET CE :methyl -167:sc= -0.263 (180deg=-0.946) USER MOD Single : A 52 LYS NZ :NH3+ 174:sc= 0.0886 (180deg=-0.00117) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.272 USER MOD Single : A 56 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00405) USER MOD Single : A 60 SER OG : rot 180:sc= -0.967 USER MOD Single : A 64 LYS NZ :NH3+ 171:sc= 0.829 (180deg=0.776) USER MOD Single : A 65 GLN : amide:sc= -0.863 K(o=-0.86,f=-0.13) USER MOD Single : A 69 SER OG : rot -36:sc= 0.0339 USER MOD Single : A 72 LYS NZ :NH3+ -157:sc= 0.0372 (180deg=-0.344) USER MOD Single : A 77 SER OG : rot -62:sc= 0.295 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 81 ASN : amide:sc= 0.295 X(o=0.3,f=0) USER MOD Single : A 85 SER OG : rot -13:sc= 1.09 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 GLN : amide:sc= -0.808 K(o=-0.81,f=-0.0013) USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 THR OG1 : rot -90:sc= 0 USER MOD Single : A 99 GLN : amide:sc= -0.88 X(o=-0.88,f=-0.4) USER MOD Single : A 101 LYS NZ :NH3+ 173:sc= 0.258 (180deg=0.227) USER MOD Single : A 105 LYS NZ :NH3+ 176:sc= 0.705 (180deg=0.699) USER MOD Single : A 117 SER OG : rot 2:sc= 0.326 USER MOD Single : A 120 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 121 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 122 HIS : no HD1:sc= -0.0198 X(o=-0.02,f=-0.02) USER MOD Single : A 123 HIS : no HD1:sc= 0 X(o=0,f=-0.0048) USER MOD Single : A 124 HIS : no HD1:sc= -0.0308 X(o=-0.031,f=0.001) USER MOD Single : A 125 HIS : no HD1:sc= -0.041 X(o=-0.041,f=-0.037) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 15.544 9.092 0.566 1.00 22.23 N ATOM 2 CA MET A 1 15.108 9.312 -0.834 1.00 41.11 C ATOM 3 C MET A 1 13.937 8.384 -1.203 1.00 14.14 C ATOM 4 O MET A 1 13.409 8.465 -2.321 1.00 75.44 O ATOM 5 CB MET A 1 16.297 9.099 -1.813 1.00 31.11 C ATOM 6 CG MET A 1 16.824 7.655 -1.890 1.00 63.14 C ATOM 7 SD MET A 1 18.181 7.458 -3.060 1.00 64.35 S ATOM 8 CE MET A 1 19.485 8.422 -2.292 1.00 24.00 C ATOM 0 H1 MET A 1 16.334 9.731 0.788 1.00 22.23 H new ATOM 0 H2 MET A 1 14.751 9.285 1.211 1.00 22.23 H new ATOM 0 H3 MET A 1 15.853 8.106 0.683 1.00 22.23 H new ATOM 0 HA MET A 1 14.763 10.342 -0.921 1.00 41.11 H new ATOM 0 HB2 MET A 1 15.987 9.411 -2.811 1.00 31.11 H new ATOM 0 HB3 MET A 1 17.116 9.753 -1.514 1.00 31.11 H new ATOM 0 HG2 MET A 1 17.158 7.343 -0.900 1.00 63.14 H new ATOM 0 HG3 MET A 1 16.008 6.991 -2.175 1.00 63.14 H new ATOM 0 HE1 MET A 1 20.435 8.202 -2.779 1.00 24.00 H new ATOM 0 HE2 MET A 1 19.262 9.484 -2.395 1.00 24.00 H new ATOM 0 HE3 MET A 1 19.552 8.167 -1.234 1.00 24.00 H new ATOM 20 N GLY A 2 13.553 7.497 -0.263 1.00 73.32 N ATOM 21 CA GLY A 2 12.491 6.530 -0.483 1.00 60.10 C ATOM 22 C GLY A 2 11.124 7.185 -0.609 1.00 54.41 C ATOM 23 O GLY A 2 10.499 7.493 0.409 1.00 52.21 O ATOM 0 H GLY A 2 13.977 7.441 0.663 1.00 73.32 H new ATOM 0 HA2 GLY A 2 12.703 5.962 -1.389 1.00 60.10 H new ATOM 0 HA3 GLY A 2 12.475 5.819 0.343 1.00 60.10 H new ATOM 27 N LYS A 3 10.684 7.441 -1.862 1.00 22.04 N ATOM 28 CA LYS A 3 9.363 8.011 -2.152 1.00 32.41 C ATOM 29 C LYS A 3 8.260 7.026 -1.746 1.00 12.55 C ATOM 30 O LYS A 3 7.963 6.082 -2.491 1.00 51.02 O ATOM 31 CB LYS A 3 9.225 8.386 -3.655 1.00 64.53 C ATOM 32 CG LYS A 3 7.865 9.026 -4.041 1.00 4.43 C ATOM 33 CD LYS A 3 7.600 10.336 -3.270 1.00 31.54 C ATOM 34 CE LYS A 3 6.226 10.936 -3.577 1.00 11.12 C ATOM 35 NZ LYS A 3 6.050 12.264 -2.925 1.00 64.12 N ATOM 0 H LYS A 3 11.241 7.255 -2.696 1.00 22.04 H new ATOM 0 HA LYS A 3 9.256 8.925 -1.568 1.00 32.41 H new ATOM 0 HB2 LYS A 3 10.025 9.079 -3.918 1.00 64.53 H new ATOM 0 HB3 LYS A 3 9.372 7.488 -4.255 1.00 64.53 H new ATOM 0 HG2 LYS A 3 7.851 9.227 -5.112 1.00 4.43 H new ATOM 0 HG3 LYS A 3 7.061 8.318 -3.839 1.00 4.43 H new ATOM 0 HD2 LYS A 3 7.677 10.144 -2.200 1.00 31.54 H new ATOM 0 HD3 LYS A 3 8.373 11.063 -3.520 1.00 31.54 H new ATOM 0 HE2 LYS A 3 6.107 11.041 -4.655 1.00 11.12 H new ATOM 0 HE3 LYS A 3 5.446 10.256 -3.235 1.00 11.12 H new ATOM 0 HZ1 LYS A 3 5.108 12.641 -3.154 1.00 64.12 H new ATOM 0 HZ2 LYS A 3 6.140 12.159 -1.894 1.00 64.12 H new ATOM 0 HZ3 LYS A 3 6.779 12.920 -3.271 1.00 64.12 H new ATOM 49 N VAL A 4 7.696 7.238 -0.545 1.00 4.55 N ATOM 50 CA VAL A 4 6.583 6.434 -0.039 1.00 23.04 C ATOM 51 C VAL A 4 5.269 7.098 -0.459 1.00 14.42 C ATOM 52 O VAL A 4 5.103 8.312 -0.293 1.00 41.24 O ATOM 53 CB VAL A 4 6.592 6.266 1.527 1.00 73.12 C ATOM 54 CG1 VAL A 4 5.647 5.114 1.960 1.00 53.22 C ATOM 55 CG2 VAL A 4 8.020 6.075 2.094 1.00 70.43 C ATOM 0 H VAL A 4 8.001 7.970 0.096 1.00 4.55 H new ATOM 0 HA VAL A 4 6.688 5.436 -0.465 1.00 23.04 H new ATOM 0 HB VAL A 4 6.215 7.195 1.954 1.00 73.12 H new ATOM 0 HG11 VAL A 4 5.668 5.015 3.045 1.00 53.22 H new ATOM 0 HG12 VAL A 4 4.630 5.336 1.635 1.00 53.22 H new ATOM 0 HG13 VAL A 4 5.978 4.181 1.504 1.00 53.22 H new ATOM 0 HG21 VAL A 4 7.970 5.964 3.177 1.00 70.43 H new ATOM 0 HG22 VAL A 4 8.468 5.182 1.658 1.00 70.43 H new ATOM 0 HG23 VAL A 4 8.629 6.944 1.846 1.00 70.43 H new ATOM 65 N VAL A 5 4.371 6.311 -1.044 1.00 12.44 N ATOM 66 CA VAL A 5 3.002 6.730 -1.360 1.00 53.31 C ATOM 67 C VAL A 5 2.030 5.710 -0.754 1.00 31.32 C ATOM 68 O VAL A 5 2.159 4.507 -0.989 1.00 44.33 O ATOM 69 CB VAL A 5 2.782 6.854 -2.920 1.00 72.55 C ATOM 70 CG1 VAL A 5 1.290 7.034 -3.282 1.00 65.02 C ATOM 71 CG2 VAL A 5 3.633 8.009 -3.512 1.00 54.12 C ATOM 0 H VAL A 5 4.573 5.349 -1.317 1.00 12.44 H new ATOM 0 HA VAL A 5 2.820 7.717 -0.934 1.00 53.31 H new ATOM 0 HB VAL A 5 3.115 5.916 -3.365 1.00 72.55 H new ATOM 0 HG11 VAL A 5 1.185 7.115 -4.364 1.00 65.02 H new ATOM 0 HG12 VAL A 5 0.723 6.174 -2.926 1.00 65.02 H new ATOM 0 HG13 VAL A 5 0.908 7.940 -2.812 1.00 65.02 H new ATOM 0 HG21 VAL A 5 3.463 8.072 -4.587 1.00 54.12 H new ATOM 0 HG22 VAL A 5 3.346 8.950 -3.043 1.00 54.12 H new ATOM 0 HG23 VAL A 5 4.689 7.817 -3.323 1.00 54.12 H new ATOM 81 N PHE A 6 1.082 6.196 0.051 1.00 11.23 N ATOM 82 CA PHE A 6 0.056 5.358 0.679 1.00 34.04 C ATOM 83 C PHE A 6 -1.291 5.581 -0.016 1.00 13.24 C ATOM 84 O PHE A 6 -1.903 6.646 0.121 1.00 12.54 O ATOM 85 CB PHE A 6 -0.045 5.693 2.186 1.00 33.11 C ATOM 86 CG PHE A 6 -0.962 4.777 2.976 1.00 61.22 C ATOM 87 CD1 PHE A 6 -0.624 3.439 3.153 1.00 14.51 C ATOM 88 CD2 PHE A 6 -2.149 5.241 3.534 1.00 45.54 C ATOM 89 CE1 PHE A 6 -1.445 2.590 3.855 1.00 12.14 C ATOM 90 CE2 PHE A 6 -2.964 4.389 4.240 1.00 34.13 C ATOM 91 CZ PHE A 6 -2.611 3.064 4.395 1.00 15.05 C ATOM 0 H PHE A 6 1.004 7.185 0.287 1.00 11.23 H new ATOM 0 HA PHE A 6 0.331 4.308 0.575 1.00 34.04 H new ATOM 0 HB2 PHE A 6 0.953 5.651 2.622 1.00 33.11 H new ATOM 0 HB3 PHE A 6 -0.397 6.719 2.294 1.00 33.11 H new ATOM 0 HD1 PHE A 6 0.297 3.062 2.733 1.00 14.51 H new ATOM 0 HD2 PHE A 6 -2.431 6.276 3.412 1.00 45.54 H new ATOM 0 HE1 PHE A 6 -1.172 1.553 3.981 1.00 12.14 H new ATOM 0 HE2 PHE A 6 -3.882 4.757 4.674 1.00 34.13 H new ATOM 0 HZ PHE A 6 -3.258 2.397 4.945 1.00 15.05 H new ATOM 101 N LEU A 7 -1.732 4.576 -0.775 1.00 53.10 N ATOM 102 CA LEU A 7 -3.063 4.567 -1.389 1.00 24.35 C ATOM 103 C LEU A 7 -4.011 3.812 -0.444 1.00 72.33 C ATOM 104 O LEU A 7 -3.761 2.653 -0.127 1.00 70.32 O ATOM 105 CB LEU A 7 -3.011 3.882 -2.784 1.00 61.13 C ATOM 106 CG LEU A 7 -4.375 3.774 -3.542 1.00 1.32 C ATOM 107 CD1 LEU A 7 -4.979 5.161 -3.845 1.00 74.32 C ATOM 108 CD2 LEU A 7 -4.232 2.928 -4.824 1.00 54.24 C ATOM 0 H LEU A 7 -1.177 3.745 -0.982 1.00 53.10 H new ATOM 0 HA LEU A 7 -3.420 5.586 -1.539 1.00 24.35 H new ATOM 0 HB2 LEU A 7 -2.311 4.433 -3.412 1.00 61.13 H new ATOM 0 HB3 LEU A 7 -2.606 2.878 -2.660 1.00 61.13 H new ATOM 0 HG LEU A 7 -5.074 3.262 -2.880 1.00 1.32 H new ATOM 0 HD11 LEU A 7 -5.925 5.039 -4.372 1.00 74.32 H new ATOM 0 HD12 LEU A 7 -5.151 5.695 -2.910 1.00 74.32 H new ATOM 0 HD13 LEU A 7 -4.288 5.731 -4.467 1.00 74.32 H new ATOM 0 HD21 LEU A 7 -5.195 2.870 -5.331 1.00 54.24 H new ATOM 0 HD22 LEU A 7 -3.501 3.392 -5.486 1.00 54.24 H new ATOM 0 HD23 LEU A 7 -3.899 1.924 -4.562 1.00 54.24 H new ATOM 120 N SER A 8 -5.078 4.475 0.022 1.00 4.14 N ATOM 121 CA SER A 8 -6.018 3.898 0.996 1.00 1.54 C ATOM 122 C SER A 8 -7.453 4.003 0.484 1.00 55.45 C ATOM 123 O SER A 8 -7.763 4.807 -0.403 1.00 1.13 O ATOM 124 CB SER A 8 -5.888 4.622 2.345 1.00 54.23 C ATOM 125 OG SER A 8 -6.789 4.109 3.315 1.00 20.30 O ATOM 0 H SER A 8 -5.315 5.425 -0.264 1.00 4.14 H new ATOM 0 HA SER A 8 -5.774 2.844 1.131 1.00 1.54 H new ATOM 0 HB2 SER A 8 -4.866 4.524 2.712 1.00 54.23 H new ATOM 0 HB3 SER A 8 -6.075 5.687 2.204 1.00 54.23 H new ATOM 0 HG SER A 8 -7.380 4.827 3.625 1.00 20.30 H new ATOM 131 N ASP A 9 -8.316 3.180 1.075 1.00 74.45 N ATOM 132 CA ASP A 9 -9.740 3.097 0.744 1.00 55.34 C ATOM 133 C ASP A 9 -10.575 3.921 1.741 1.00 43.41 C ATOM 134 O ASP A 9 -11.662 4.393 1.407 1.00 33.00 O ATOM 135 CB ASP A 9 -10.186 1.611 0.767 1.00 42.24 C ATOM 136 CG ASP A 9 -10.131 0.965 2.169 1.00 74.10 C ATOM 137 OD1 ASP A 9 -11.186 0.556 2.698 1.00 71.04 O ATOM 138 OD2 ASP A 9 -9.031 0.881 2.750 1.00 12.52 O ATOM 0 H ASP A 9 -8.040 2.536 1.816 1.00 74.45 H new ATOM 0 HA ASP A 9 -9.900 3.507 -0.253 1.00 55.34 H new ATOM 0 HB2 ASP A 9 -11.204 1.541 0.385 1.00 42.24 H new ATOM 0 HB3 ASP A 9 -9.551 1.040 0.089 1.00 42.24 H new ATOM 143 N ASP A 10 -10.046 4.100 2.966 1.00 73.43 N ATOM 144 CA ASP A 10 -10.785 4.710 4.091 1.00 53.21 C ATOM 145 C ASP A 10 -9.995 5.887 4.706 1.00 71.45 C ATOM 146 O ASP A 10 -8.762 5.839 4.795 1.00 13.44 O ATOM 147 CB ASP A 10 -11.105 3.620 5.149 1.00 43.25 C ATOM 148 CG ASP A 10 -11.718 4.181 6.447 1.00 40.44 C ATOM 149 OD1 ASP A 10 -10.970 4.394 7.421 1.00 11.31 O ATOM 150 OD2 ASP A 10 -12.942 4.431 6.488 1.00 14.23 O ATOM 0 H ASP A 10 -9.093 3.826 3.205 1.00 73.43 H new ATOM 0 HA ASP A 10 -11.724 5.122 3.720 1.00 53.21 H new ATOM 0 HB2 ASP A 10 -11.794 2.896 4.715 1.00 43.25 H new ATOM 0 HB3 ASP A 10 -10.189 3.082 5.393 1.00 43.25 H new ATOM 155 N GLN A 11 -10.748 6.933 5.124 1.00 74.13 N ATOM 156 CA GLN A 11 -10.201 8.193 5.660 1.00 31.12 C ATOM 157 C GLN A 11 -9.416 8.005 6.970 1.00 24.30 C ATOM 158 O GLN A 11 -8.316 8.551 7.103 1.00 72.21 O ATOM 159 CB GLN A 11 -11.337 9.229 5.876 1.00 64.35 C ATOM 160 CG GLN A 11 -10.868 10.628 6.344 1.00 30.14 C ATOM 161 CD GLN A 11 -9.892 11.315 5.377 1.00 51.10 C ATOM 162 OE1 GLN A 11 -10.299 12.030 4.462 1.00 24.15 O ATOM 163 NE2 GLN A 11 -8.598 11.091 5.561 1.00 24.31 N ATOM 0 H GLN A 11 -11.768 6.920 5.096 1.00 74.13 H new ATOM 0 HA GLN A 11 -9.496 8.561 4.914 1.00 31.12 H new ATOM 0 HB2 GLN A 11 -11.888 9.341 4.942 1.00 64.35 H new ATOM 0 HB3 GLN A 11 -12.035 8.831 6.613 1.00 64.35 H new ATOM 0 HG2 GLN A 11 -11.741 11.267 6.478 1.00 30.14 H new ATOM 0 HG3 GLN A 11 -10.391 10.533 7.319 1.00 30.14 H new ATOM 0 HE21 GLN A 11 -8.288 10.494 6.328 1.00 24.31 H new ATOM 0 HE22 GLN A 11 -7.913 11.516 4.936 1.00 24.31 H new ATOM 172 N GLU A 12 -9.985 7.240 7.928 1.00 52.10 N ATOM 173 CA GLU A 12 -9.350 7.017 9.249 1.00 73.12 C ATOM 174 C GLU A 12 -7.962 6.392 9.062 1.00 70.42 C ATOM 175 O GLU A 12 -6.985 6.868 9.640 1.00 25.42 O ATOM 176 CB GLU A 12 -10.234 6.119 10.150 1.00 72.51 C ATOM 177 CG GLU A 12 -11.602 6.721 10.532 1.00 64.00 C ATOM 178 CD GLU A 12 -12.436 5.785 11.420 1.00 55.55 C ATOM 179 OE1 GLU A 12 -12.053 5.559 12.593 1.00 41.04 O ATOM 180 OE2 GLU A 12 -13.470 5.262 10.956 1.00 62.13 O ATOM 0 H GLU A 12 -10.881 6.767 7.813 1.00 52.10 H new ATOM 0 HA GLU A 12 -9.242 7.981 9.746 1.00 73.12 H new ATOM 0 HB2 GLU A 12 -10.402 5.171 9.639 1.00 72.51 H new ATOM 0 HB3 GLU A 12 -9.685 5.895 11.064 1.00 72.51 H new ATOM 0 HG2 GLU A 12 -11.446 7.665 11.053 1.00 64.00 H new ATOM 0 HG3 GLU A 12 -12.161 6.947 9.624 1.00 64.00 H new ATOM 187 N ILE A 13 -7.906 5.357 8.204 1.00 21.44 N ATOM 188 CA ILE A 13 -6.645 4.728 7.767 1.00 14.12 C ATOM 189 C ILE A 13 -5.594 5.791 7.303 1.00 33.45 C ATOM 190 O ILE A 13 -4.447 5.784 7.773 1.00 61.00 O ATOM 191 CB ILE A 13 -6.881 3.742 6.570 1.00 52.41 C ATOM 192 CG1 ILE A 13 -8.037 2.721 6.813 1.00 63.15 C ATOM 193 CG2 ILE A 13 -5.589 3.008 6.221 1.00 64.12 C ATOM 194 CD1 ILE A 13 -7.810 1.659 7.873 1.00 30.21 C ATOM 0 H ILE A 13 -8.737 4.932 7.793 1.00 21.44 H new ATOM 0 HA ILE A 13 -6.266 4.186 8.634 1.00 14.12 H new ATOM 0 HB ILE A 13 -7.194 4.360 5.728 1.00 52.41 H new ATOM 0 HG12 ILE A 13 -8.932 3.281 7.082 1.00 63.15 H new ATOM 0 HG13 ILE A 13 -8.248 2.218 5.869 1.00 63.15 H new ATOM 0 HG21 ILE A 13 -5.770 2.328 5.389 1.00 64.12 H new ATOM 0 HG22 ILE A 13 -4.824 3.732 5.938 1.00 64.12 H new ATOM 0 HG23 ILE A 13 -5.248 2.439 7.086 1.00 64.12 H new ATOM 0 HD11 ILE A 13 -8.689 1.018 7.940 1.00 30.21 H new ATOM 0 HD12 ILE A 13 -6.941 1.058 7.605 1.00 30.21 H new ATOM 0 HD13 ILE A 13 -7.637 2.138 8.837 1.00 30.21 H new ATOM 206 N ILE A 14 -6.029 6.699 6.381 1.00 23.00 N ATOM 207 CA ILE A 14 -5.186 7.792 5.824 1.00 70.05 C ATOM 208 C ILE A 14 -4.584 8.659 6.947 1.00 61.12 C ATOM 209 O ILE A 14 -3.378 8.896 6.971 1.00 32.42 O ATOM 210 CB ILE A 14 -6.012 8.717 4.829 1.00 22.13 C ATOM 211 CG1 ILE A 14 -6.458 7.919 3.568 1.00 41.21 C ATOM 212 CG2 ILE A 14 -5.232 9.997 4.423 1.00 2.34 C ATOM 213 CD1 ILE A 14 -7.312 8.695 2.573 1.00 32.24 C ATOM 0 H ILE A 14 -6.977 6.690 6.005 1.00 23.00 H new ATOM 0 HA ILE A 14 -4.378 7.315 5.269 1.00 70.05 H new ATOM 0 HB ILE A 14 -6.902 9.043 5.368 1.00 22.13 H new ATOM 0 HG12 ILE A 14 -5.568 7.558 3.053 1.00 41.21 H new ATOM 0 HG13 ILE A 14 -7.016 7.041 3.893 1.00 41.21 H new ATOM 0 HG21 ILE A 14 -5.840 10.593 3.743 1.00 2.34 H new ATOM 0 HG22 ILE A 14 -5.004 10.582 5.314 1.00 2.34 H new ATOM 0 HG23 ILE A 14 -4.303 9.715 3.927 1.00 2.34 H new ATOM 0 HD11 ILE A 14 -7.569 8.050 1.733 1.00 32.24 H new ATOM 0 HD12 ILE A 14 -8.225 9.033 3.063 1.00 32.24 H new ATOM 0 HD13 ILE A 14 -6.754 9.558 2.210 1.00 32.24 H new ATOM 225 N GLU A 15 -5.445 9.072 7.889 1.00 60.32 N ATOM 226 CA GLU A 15 -5.091 10.007 8.973 1.00 11.04 C ATOM 227 C GLU A 15 -4.096 9.384 9.972 1.00 64.14 C ATOM 228 O GLU A 15 -3.200 10.074 10.466 1.00 51.15 O ATOM 229 CB GLU A 15 -6.381 10.470 9.693 1.00 45.23 C ATOM 230 CG GLU A 15 -7.387 11.181 8.764 1.00 74.31 C ATOM 231 CD GLU A 15 -8.695 11.572 9.465 1.00 14.24 C ATOM 232 OE1 GLU A 15 -8.837 12.743 9.886 1.00 31.55 O ATOM 233 OE2 GLU A 15 -9.587 10.705 9.597 1.00 1.35 O ATOM 0 H GLU A 15 -6.417 8.764 7.922 1.00 60.32 H new ATOM 0 HA GLU A 15 -4.592 10.870 8.532 1.00 11.04 H new ATOM 0 HB2 GLU A 15 -6.866 9.604 10.144 1.00 45.23 H new ATOM 0 HB3 GLU A 15 -6.111 11.144 10.506 1.00 45.23 H new ATOM 0 HG2 GLU A 15 -6.921 12.077 8.355 1.00 74.31 H new ATOM 0 HG3 GLU A 15 -7.616 10.528 7.922 1.00 74.31 H new ATOM 240 N GLU A 16 -4.254 8.079 10.240 1.00 23.43 N ATOM 241 CA GLU A 16 -3.383 7.331 11.167 1.00 12.13 C ATOM 242 C GLU A 16 -1.965 7.175 10.607 1.00 15.43 C ATOM 243 O GLU A 16 -0.981 7.407 11.308 1.00 33.35 O ATOM 244 CB GLU A 16 -3.988 5.939 11.440 1.00 52.53 C ATOM 245 CG GLU A 16 -5.344 5.960 12.151 1.00 51.53 C ATOM 246 CD GLU A 16 -5.316 6.537 13.577 1.00 74.13 C ATOM 247 OE1 GLU A 16 -5.052 5.772 14.531 1.00 22.35 O ATOM 248 OE2 GLU A 16 -5.587 7.745 13.755 1.00 13.41 O ATOM 0 H GLU A 16 -4.989 7.510 9.821 1.00 23.43 H new ATOM 0 HA GLU A 16 -3.318 7.897 12.096 1.00 12.13 H new ATOM 0 HB2 GLU A 16 -4.098 5.413 10.492 1.00 52.53 H new ATOM 0 HB3 GLU A 16 -3.285 5.364 12.043 1.00 52.53 H new ATOM 0 HG2 GLU A 16 -6.044 6.543 11.552 1.00 51.53 H new ATOM 0 HG3 GLU A 16 -5.732 4.942 12.194 1.00 51.53 H new ATOM 255 N VAL A 17 -1.886 6.768 9.336 1.00 4.22 N ATOM 256 CA VAL A 17 -0.616 6.561 8.632 1.00 54.04 C ATOM 257 C VAL A 17 0.089 7.905 8.355 1.00 11.23 C ATOM 258 O VAL A 17 1.313 7.994 8.438 1.00 22.34 O ATOM 259 CB VAL A 17 -0.871 5.753 7.306 1.00 73.03 C ATOM 260 CG1 VAL A 17 0.383 5.673 6.411 1.00 44.24 C ATOM 261 CG2 VAL A 17 -1.414 4.337 7.636 1.00 74.23 C ATOM 0 H VAL A 17 -2.707 6.572 8.763 1.00 4.22 H new ATOM 0 HA VAL A 17 0.052 5.978 9.266 1.00 54.04 H new ATOM 0 HB VAL A 17 -1.624 6.296 6.734 1.00 73.03 H new ATOM 0 HG11 VAL A 17 0.151 5.105 5.510 1.00 44.24 H new ATOM 0 HG12 VAL A 17 0.698 6.679 6.135 1.00 44.24 H new ATOM 0 HG13 VAL A 17 1.187 5.178 6.955 1.00 44.24 H new ATOM 0 HG21 VAL A 17 -1.586 3.788 6.710 1.00 74.23 H new ATOM 0 HG22 VAL A 17 -0.686 3.801 8.245 1.00 74.23 H new ATOM 0 HG23 VAL A 17 -2.352 4.426 8.185 1.00 74.23 H new ATOM 271 N SER A 18 -0.711 8.940 8.044 1.00 5.52 N ATOM 272 CA SER A 18 -0.223 10.315 7.844 1.00 63.32 C ATOM 273 C SER A 18 0.419 10.864 9.135 1.00 52.13 C ATOM 274 O SER A 18 1.520 11.414 9.101 1.00 41.03 O ATOM 275 CB SER A 18 -1.390 11.226 7.395 1.00 61.20 C ATOM 276 OG SER A 18 -0.968 12.551 7.128 1.00 23.40 O ATOM 0 H SER A 18 -1.719 8.845 7.924 1.00 5.52 H new ATOM 0 HA SER A 18 0.540 10.302 7.066 1.00 63.32 H new ATOM 0 HB2 SER A 18 -1.851 10.807 6.501 1.00 61.20 H new ATOM 0 HB3 SER A 18 -2.155 11.241 8.171 1.00 61.20 H new ATOM 0 HG SER A 18 -1.737 13.089 6.847 1.00 23.40 H new ATOM 282 N LYS A 19 -0.289 10.676 10.269 1.00 73.01 N ATOM 283 CA LYS A 19 0.162 11.136 11.594 1.00 34.05 C ATOM 284 C LYS A 19 1.420 10.373 12.040 1.00 30.42 C ATOM 285 O LYS A 19 2.397 10.996 12.463 1.00 13.22 O ATOM 286 CB LYS A 19 -0.999 11.002 12.631 1.00 74.01 C ATOM 287 CG LYS A 19 -0.643 11.279 14.119 1.00 33.31 C ATOM 288 CD LYS A 19 0.098 12.613 14.375 1.00 73.15 C ATOM 289 CE LYS A 19 -0.644 13.868 13.900 1.00 43.44 C ATOM 290 NZ LYS A 19 0.171 15.089 14.150 1.00 14.31 N ATOM 0 H LYS A 19 -1.191 10.200 10.288 1.00 73.01 H new ATOM 0 HA LYS A 19 0.434 12.190 11.530 1.00 34.05 H new ATOM 0 HB2 LYS A 19 -1.796 11.686 12.339 1.00 74.01 H new ATOM 0 HB3 LYS A 19 -1.403 9.992 12.560 1.00 74.01 H new ATOM 0 HG2 LYS A 19 -1.562 11.273 14.704 1.00 33.31 H new ATOM 0 HG3 LYS A 19 -0.025 10.460 14.488 1.00 33.31 H new ATOM 0 HD2 LYS A 19 0.290 12.705 15.444 1.00 73.15 H new ATOM 0 HD3 LYS A 19 1.068 12.573 13.879 1.00 73.15 H new ATOM 0 HE2 LYS A 19 -0.866 13.784 12.836 1.00 43.44 H new ATOM 0 HE3 LYS A 19 -1.599 13.950 14.419 1.00 43.44 H new ATOM 0 HZ1 LYS A 19 -0.453 15.871 14.432 1.00 14.31 H new ATOM 0 HZ2 LYS A 19 0.855 14.900 14.910 1.00 14.31 H new ATOM 0 HZ3 LYS A 19 0.682 15.349 13.282 1.00 14.31 H new ATOM 304 N LYS A 20 1.388 9.036 11.905 1.00 31.02 N ATOM 305 CA LYS A 20 2.540 8.166 12.216 1.00 70.42 C ATOM 306 C LYS A 20 3.781 8.610 11.421 1.00 24.34 C ATOM 307 O LYS A 20 4.821 8.916 12.012 1.00 33.12 O ATOM 308 CB LYS A 20 2.172 6.669 11.936 1.00 61.30 C ATOM 309 CG LYS A 20 3.340 5.639 11.944 1.00 24.25 C ATOM 310 CD LYS A 20 4.247 5.698 13.198 1.00 33.01 C ATOM 311 CE LYS A 20 3.525 5.401 14.519 1.00 3.30 C ATOM 312 NZ LYS A 20 4.454 5.513 15.682 1.00 41.00 N ATOM 0 H LYS A 20 0.566 8.527 11.578 1.00 31.02 H new ATOM 0 HA LYS A 20 2.784 8.257 13.274 1.00 70.42 H new ATOM 0 HB2 LYS A 20 1.439 6.356 12.680 1.00 61.30 H new ATOM 0 HB3 LYS A 20 1.682 6.617 10.964 1.00 61.30 H new ATOM 0 HG2 LYS A 20 2.922 4.636 11.862 1.00 24.25 H new ATOM 0 HG3 LYS A 20 3.956 5.801 11.059 1.00 24.25 H new ATOM 0 HD2 LYS A 20 5.062 4.985 13.075 1.00 33.01 H new ATOM 0 HD3 LYS A 20 4.697 6.689 13.259 1.00 33.01 H new ATOM 0 HE2 LYS A 20 2.694 6.095 14.646 1.00 3.30 H new ATOM 0 HE3 LYS A 20 3.100 4.398 14.486 1.00 3.30 H new ATOM 0 HZ1 LYS A 20 3.926 5.357 16.564 1.00 41.00 H new ATOM 0 HZ2 LYS A 20 5.205 4.799 15.597 1.00 41.00 H new ATOM 0 HZ3 LYS A 20 4.879 6.462 15.697 1.00 41.00 H new ATOM 326 N ALA A 21 3.621 8.724 10.097 1.00 55.42 N ATOM 327 CA ALA A 21 4.708 9.116 9.189 1.00 54.40 C ATOM 328 C ALA A 21 5.278 10.504 9.530 1.00 12.12 C ATOM 329 O ALA A 21 6.490 10.696 9.519 1.00 42.41 O ATOM 330 CB ALA A 21 4.204 9.105 7.754 1.00 43.54 C ATOM 0 H ALA A 21 2.735 8.547 9.624 1.00 55.42 H new ATOM 0 HA ALA A 21 5.515 8.393 9.309 1.00 54.40 H new ATOM 0 HB1 ALA A 21 5.012 9.396 7.082 1.00 43.54 H new ATOM 0 HB2 ALA A 21 3.861 8.103 7.496 1.00 43.54 H new ATOM 0 HB3 ALA A 21 3.377 9.808 7.653 1.00 43.54 H new ATOM 336 N GLU A 22 4.377 11.443 9.867 1.00 4.52 N ATOM 337 CA GLU A 22 4.722 12.845 10.153 1.00 4.24 C ATOM 338 C GLU A 22 5.612 12.946 11.399 1.00 61.54 C ATOM 339 O GLU A 22 6.668 13.593 11.372 1.00 51.11 O ATOM 340 CB GLU A 22 3.415 13.665 10.336 1.00 14.01 C ATOM 341 CG GLU A 22 3.618 15.163 10.638 1.00 61.41 C ATOM 342 CD GLU A 22 2.304 15.959 10.703 1.00 62.52 C ATOM 343 OE1 GLU A 22 2.050 16.805 9.809 1.00 10.12 O ATOM 344 OE2 GLU A 22 1.513 15.740 11.643 1.00 51.13 O ATOM 0 H GLU A 22 3.379 11.247 9.949 1.00 4.52 H new ATOM 0 HA GLU A 22 5.287 13.254 9.315 1.00 4.24 H new ATOM 0 HB2 GLU A 22 2.816 13.571 9.430 1.00 14.01 H new ATOM 0 HB3 GLU A 22 2.837 13.222 11.147 1.00 14.01 H new ATOM 0 HG2 GLU A 22 4.143 15.266 11.587 1.00 61.41 H new ATOM 0 HG3 GLU A 22 4.259 15.597 9.870 1.00 61.41 H new ATOM 351 N GLU A 23 5.183 12.272 12.478 1.00 33.13 N ATOM 352 CA GLU A 23 5.898 12.300 13.765 1.00 62.32 C ATOM 353 C GLU A 23 7.262 11.588 13.685 1.00 45.32 C ATOM 354 O GLU A 23 8.218 12.001 14.353 1.00 3.40 O ATOM 355 CB GLU A 23 5.042 11.694 14.908 1.00 10.22 C ATOM 356 CG GLU A 23 3.646 12.335 15.103 1.00 15.43 C ATOM 357 CD GLU A 23 3.629 13.876 15.032 1.00 42.34 C ATOM 358 OE1 GLU A 23 4.144 14.532 15.959 1.00 53.53 O ATOM 359 OE2 GLU A 23 3.094 14.441 14.049 1.00 21.24 O ATOM 0 H GLU A 23 4.340 11.698 12.484 1.00 33.13 H new ATOM 0 HA GLU A 23 6.081 13.350 13.993 1.00 62.32 H new ATOM 0 HB2 GLU A 23 4.911 10.629 14.715 1.00 10.22 H new ATOM 0 HB3 GLU A 23 5.598 11.783 15.842 1.00 10.22 H new ATOM 0 HG2 GLU A 23 2.971 11.942 14.342 1.00 15.43 H new ATOM 0 HG3 GLU A 23 3.251 12.025 16.070 1.00 15.43 H new ATOM 366 N GLU A 24 7.346 10.519 12.867 1.00 13.51 N ATOM 367 CA GLU A 24 8.611 9.775 12.662 1.00 11.33 C ATOM 368 C GLU A 24 9.527 10.495 11.644 1.00 32.12 C ATOM 369 O GLU A 24 10.739 10.269 11.629 1.00 52.43 O ATOM 370 CB GLU A 24 8.331 8.340 12.153 1.00 42.53 C ATOM 371 CG GLU A 24 7.377 7.486 13.011 1.00 62.23 C ATOM 372 CD GLU A 24 7.858 7.226 14.442 1.00 51.33 C ATOM 373 OE1 GLU A 24 7.389 7.914 15.379 1.00 53.30 O ATOM 374 OE2 GLU A 24 8.700 6.326 14.641 1.00 75.12 O ATOM 0 H GLU A 24 6.556 10.150 12.338 1.00 13.51 H new ATOM 0 HA GLU A 24 9.115 9.729 13.628 1.00 11.33 H new ATOM 0 HB2 GLU A 24 7.918 8.408 11.147 1.00 42.53 H new ATOM 0 HB3 GLU A 24 9.282 7.814 12.072 1.00 42.53 H new ATOM 0 HG2 GLU A 24 6.407 7.982 13.053 1.00 62.23 H new ATOM 0 HG3 GLU A 24 7.224 6.528 12.514 1.00 62.23 H new ATOM 381 N GLY A 25 8.929 11.355 10.800 1.00 22.13 N ATOM 382 CA GLY A 25 9.668 12.098 9.768 1.00 61.44 C ATOM 383 C GLY A 25 9.683 11.428 8.393 1.00 64.01 C ATOM 384 O GLY A 25 10.426 11.869 7.505 1.00 42.33 O ATOM 0 H GLY A 25 7.928 11.552 10.815 1.00 22.13 H new ATOM 0 HA2 GLY A 25 9.230 13.091 9.669 1.00 61.44 H new ATOM 0 HA3 GLY A 25 10.696 12.235 10.103 1.00 61.44 H new ATOM 388 N TYR A 26 8.876 10.360 8.210 1.00 43.43 N ATOM 389 CA TYR A 26 8.682 9.724 6.891 1.00 34.02 C ATOM 390 C TYR A 26 7.786 10.610 6.008 1.00 22.43 C ATOM 391 O TYR A 26 6.732 11.079 6.462 1.00 63.31 O ATOM 392 CB TYR A 26 8.015 8.329 7.024 1.00 23.13 C ATOM 393 CG TYR A 26 8.783 7.316 7.883 1.00 34.41 C ATOM 394 CD1 TYR A 26 10.075 6.911 7.542 1.00 65.43 C ATOM 395 CD2 TYR A 26 8.207 6.749 9.025 1.00 52.13 C ATOM 396 CE1 TYR A 26 10.761 5.987 8.310 1.00 44.22 C ATOM 397 CE2 TYR A 26 8.893 5.824 9.791 1.00 54.12 C ATOM 398 CZ TYR A 26 10.164 5.449 9.431 1.00 3.01 C ATOM 399 OH TYR A 26 10.849 4.538 10.202 1.00 61.32 O ATOM 0 H TYR A 26 8.347 9.920 8.963 1.00 43.43 H new ATOM 0 HA TYR A 26 9.666 9.604 6.439 1.00 34.02 H new ATOM 0 HB2 TYR A 26 7.019 8.459 7.448 1.00 23.13 H new ATOM 0 HB3 TYR A 26 7.885 7.910 6.026 1.00 23.13 H new ATOM 0 HD1 TYR A 26 10.547 7.326 6.664 1.00 65.43 H new ATOM 0 HD2 TYR A 26 7.208 7.039 9.314 1.00 52.13 H new ATOM 0 HE1 TYR A 26 11.761 5.688 8.033 1.00 44.22 H new ATOM 0 HE2 TYR A 26 8.431 5.398 10.669 1.00 54.12 H new ATOM 0 HH TYR A 26 11.474 5.011 10.790 1.00 61.32 H new ATOM 409 N ASP A 27 8.206 10.830 4.758 1.00 14.21 N ATOM 410 CA ASP A 27 7.401 11.555 3.763 1.00 73.12 C ATOM 411 C ASP A 27 6.539 10.557 2.979 1.00 31.21 C ATOM 412 O ASP A 27 7.056 9.798 2.148 1.00 64.25 O ATOM 413 CB ASP A 27 8.304 12.363 2.801 1.00 1.52 C ATOM 414 CG ASP A 27 9.184 13.395 3.524 1.00 33.21 C ATOM 415 OD1 ASP A 27 10.422 13.218 3.577 1.00 64.21 O ATOM 416 OD2 ASP A 27 8.637 14.383 4.057 1.00 64.33 O ATOM 0 H ASP A 27 9.109 10.513 4.406 1.00 14.21 H new ATOM 0 HA ASP A 27 6.754 12.262 4.282 1.00 73.12 H new ATOM 0 HB2 ASP A 27 8.942 11.675 2.247 1.00 1.52 H new ATOM 0 HB3 ASP A 27 7.679 12.876 2.070 1.00 1.52 H new ATOM 421 N ILE A 28 5.228 10.530 3.277 1.00 2.33 N ATOM 422 CA ILE A 28 4.268 9.650 2.586 1.00 33.31 C ATOM 423 C ILE A 28 3.161 10.489 1.923 1.00 44.33 C ATOM 424 O ILE A 28 2.438 11.216 2.613 1.00 23.54 O ATOM 425 CB ILE A 28 3.608 8.604 3.561 1.00 74.51 C ATOM 426 CG1 ILE A 28 4.691 7.804 4.359 1.00 3.44 C ATOM 427 CG2 ILE A 28 2.695 7.649 2.771 1.00 54.01 C ATOM 428 CD1 ILE A 28 4.159 6.629 5.171 1.00 64.40 C ATOM 0 H ILE A 28 4.806 11.114 3.999 1.00 2.33 H new ATOM 0 HA ILE A 28 4.829 9.100 1.830 1.00 33.31 H new ATOM 0 HB ILE A 28 3.004 9.149 4.287 1.00 74.51 H new ATOM 0 HG12 ILE A 28 5.437 7.432 3.656 1.00 3.44 H new ATOM 0 HG13 ILE A 28 5.203 8.490 5.034 1.00 3.44 H new ATOM 0 HG21 ILE A 28 2.243 6.929 3.454 1.00 54.01 H new ATOM 0 HG22 ILE A 28 1.911 8.222 2.276 1.00 54.01 H new ATOM 0 HG23 ILE A 28 3.284 7.119 2.023 1.00 54.01 H new ATOM 0 HD11 ILE A 28 4.985 6.140 5.687 1.00 64.40 H new ATOM 0 HD12 ILE A 28 3.437 6.990 5.903 1.00 64.40 H new ATOM 0 HD13 ILE A 28 3.674 5.916 4.504 1.00 64.40 H new ATOM 440 N GLN A 29 3.037 10.384 0.587 1.00 30.54 N ATOM 441 CA GLN A 29 1.943 11.025 -0.155 1.00 13.44 C ATOM 442 C GLN A 29 0.706 10.121 -0.079 1.00 5.31 C ATOM 443 O GLN A 29 0.691 9.034 -0.660 1.00 35.01 O ATOM 444 CB GLN A 29 2.350 11.271 -1.633 1.00 1.45 C ATOM 445 CG GLN A 29 1.355 12.149 -2.429 1.00 22.44 C ATOM 446 CD GLN A 29 1.239 13.588 -1.893 1.00 54.51 C ATOM 447 OE1 GLN A 29 2.200 14.163 -1.371 1.00 60.12 O ATOM 448 NE2 GLN A 29 0.062 14.177 -2.010 1.00 33.32 N ATOM 0 H GLN A 29 3.685 9.859 0.000 1.00 30.54 H new ATOM 0 HA GLN A 29 1.719 11.995 0.289 1.00 13.44 H new ATOM 0 HB2 GLN A 29 3.331 11.745 -1.653 1.00 1.45 H new ATOM 0 HB3 GLN A 29 2.450 10.309 -2.135 1.00 1.45 H new ATOM 0 HG2 GLN A 29 1.667 12.183 -3.473 1.00 22.44 H new ATOM 0 HG3 GLN A 29 0.371 11.681 -2.406 1.00 22.44 H new ATOM 0 HE21 GLN A 29 -0.716 13.681 -2.445 1.00 33.32 H new ATOM 0 HE22 GLN A 29 -0.069 15.128 -1.665 1.00 33.32 H new ATOM 457 N THR A 30 -0.315 10.565 0.653 1.00 41.44 N ATOM 458 CA THR A 30 -1.527 9.773 0.894 1.00 45.52 C ATOM 459 C THR A 30 -2.627 10.189 -0.101 1.00 61.01 C ATOM 460 O THR A 30 -2.809 11.380 -0.375 1.00 51.41 O ATOM 461 CB THR A 30 -2.020 9.938 2.372 1.00 24.45 C ATOM 462 OG1 THR A 30 -2.158 11.331 2.705 1.00 63.22 O ATOM 463 CG2 THR A 30 -1.073 9.267 3.392 1.00 12.22 C ATOM 0 H THR A 30 -0.328 11.483 1.097 1.00 41.44 H new ATOM 0 HA THR A 30 -1.293 8.719 0.741 1.00 45.52 H new ATOM 0 HB THR A 30 -2.987 9.439 2.432 1.00 24.45 H new ATOM 0 HG1 THR A 30 -2.468 11.417 3.631 1.00 63.22 H new ATOM 0 HG21 THR A 30 -1.462 9.412 4.400 1.00 12.22 H new ATOM 0 HG22 THR A 30 -1.006 8.200 3.179 1.00 12.22 H new ATOM 0 HG23 THR A 30 -0.082 9.715 3.318 1.00 12.22 H new ATOM 471 N SER A 31 -3.346 9.190 -0.641 1.00 3.43 N ATOM 472 CA SER A 31 -4.366 9.384 -1.687 1.00 72.44 C ATOM 473 C SER A 31 -5.456 8.311 -1.556 1.00 32.35 C ATOM 474 O SER A 31 -5.264 7.295 -0.881 1.00 52.24 O ATOM 475 CB SER A 31 -3.701 9.316 -3.090 1.00 32.41 C ATOM 476 OG SER A 31 -4.637 9.518 -4.146 1.00 41.30 O ATOM 0 H SER A 31 -3.235 8.215 -0.361 1.00 3.43 H new ATOM 0 HA SER A 31 -4.826 10.365 -1.566 1.00 72.44 H new ATOM 0 HB2 SER A 31 -2.917 10.070 -3.154 1.00 32.41 H new ATOM 0 HB3 SER A 31 -3.221 8.345 -3.215 1.00 32.41 H new ATOM 0 HG SER A 31 -4.173 9.468 -5.008 1.00 41.30 H new ATOM 482 N ASN A 32 -6.596 8.559 -2.207 1.00 12.23 N ATOM 483 CA ASN A 32 -7.717 7.609 -2.298 1.00 33.30 C ATOM 484 C ASN A 32 -7.974 7.270 -3.780 1.00 12.45 C ATOM 485 O ASN A 32 -8.405 6.160 -4.103 1.00 3.44 O ATOM 486 CB ASN A 32 -8.973 8.210 -1.618 1.00 62.44 C ATOM 487 CG ASN A 32 -10.180 7.263 -1.616 1.00 5.12 C ATOM 488 OD1 ASN A 32 -11.045 7.331 -2.490 1.00 14.12 O ATOM 489 ND2 ASN A 32 -10.232 6.363 -0.648 1.00 14.44 N ATOM 0 H ASN A 32 -6.772 9.438 -2.694 1.00 12.23 H new ATOM 0 HA ASN A 32 -7.472 6.685 -1.775 1.00 33.30 H new ATOM 0 HB2 ASN A 32 -8.728 8.475 -0.590 1.00 62.44 H new ATOM 0 HB3 ASN A 32 -9.246 9.133 -2.129 1.00 62.44 H new ATOM 0 HD21 ASN A 32 -11.005 5.699 -0.610 1.00 14.44 H new ATOM 0 HD22 ASN A 32 -9.499 6.333 0.061 1.00 14.44 H new ATOM 496 N ASP A 33 -7.681 8.239 -4.677 1.00 12.20 N ATOM 497 CA ASP A 33 -7.811 8.061 -6.141 1.00 15.14 C ATOM 498 C ASP A 33 -6.666 7.172 -6.680 1.00 61.40 C ATOM 499 O ASP A 33 -5.494 7.584 -6.685 1.00 21.15 O ATOM 500 CB ASP A 33 -7.820 9.438 -6.865 1.00 42.45 C ATOM 501 CG ASP A 33 -7.941 9.318 -8.401 1.00 30.54 C ATOM 502 OD1 ASP A 33 -8.991 8.856 -8.884 1.00 53.33 O ATOM 503 OD2 ASP A 33 -6.988 9.677 -9.125 1.00 72.43 O ATOM 0 H ASP A 33 -7.348 9.165 -4.407 1.00 12.20 H new ATOM 0 HA ASP A 33 -8.760 7.564 -6.343 1.00 15.14 H new ATOM 0 HB2 ASP A 33 -8.651 10.034 -6.487 1.00 42.45 H new ATOM 0 HB3 ASP A 33 -6.904 9.976 -6.620 1.00 42.45 H new ATOM 508 N LYS A 34 -7.017 5.936 -7.088 1.00 33.54 N ATOM 509 CA LYS A 34 -6.051 4.955 -7.630 1.00 71.40 C ATOM 510 C LYS A 34 -5.477 5.399 -8.998 1.00 22.32 C ATOM 511 O LYS A 34 -4.328 5.102 -9.289 1.00 73.13 O ATOM 512 CB LYS A 34 -6.719 3.554 -7.748 1.00 23.14 C ATOM 513 CG LYS A 34 -7.655 3.388 -8.971 1.00 63.11 C ATOM 514 CD LYS A 34 -8.646 2.214 -8.845 1.00 41.52 C ATOM 515 CE LYS A 34 -9.684 2.440 -7.730 1.00 31.20 C ATOM 516 NZ LYS A 34 -10.673 1.329 -7.648 1.00 4.11 N ATOM 0 H LYS A 34 -7.975 5.589 -7.052 1.00 33.54 H new ATOM 0 HA LYS A 34 -5.215 4.897 -6.933 1.00 71.40 H new ATOM 0 HB2 LYS A 34 -5.937 2.796 -7.800 1.00 23.14 H new ATOM 0 HB3 LYS A 34 -7.291 3.361 -6.840 1.00 23.14 H new ATOM 0 HG2 LYS A 34 -8.217 4.311 -9.114 1.00 63.11 H new ATOM 0 HG3 LYS A 34 -7.047 3.243 -9.864 1.00 63.11 H new ATOM 0 HD2 LYS A 34 -9.162 2.074 -9.795 1.00 41.52 H new ATOM 0 HD3 LYS A 34 -8.094 1.296 -8.643 1.00 41.52 H new ATOM 0 HE2 LYS A 34 -9.171 2.539 -6.773 1.00 31.20 H new ATOM 0 HE3 LYS A 34 -10.209 3.379 -7.909 1.00 31.20 H new ATOM 0 HZ1 LYS A 34 -11.582 1.698 -7.302 1.00 4.11 H new ATOM 0 HZ2 LYS A 34 -10.805 0.912 -8.591 1.00 4.11 H new ATOM 0 HZ3 LYS A 34 -10.323 0.600 -6.993 1.00 4.11 H new ATOM 530 N LYS A 35 -6.281 6.150 -9.798 1.00 64.24 N ATOM 531 CA LYS A 35 -5.929 6.520 -11.192 1.00 35.51 C ATOM 532 C LYS A 35 -4.641 7.355 -11.230 1.00 4.25 C ATOM 533 O LYS A 35 -3.762 7.119 -12.074 1.00 2.22 O ATOM 534 CB LYS A 35 -7.081 7.305 -11.866 1.00 23.41 C ATOM 535 CG LYS A 35 -8.415 6.533 -11.972 1.00 4.15 C ATOM 536 CD LYS A 35 -9.505 7.327 -12.742 1.00 3.00 C ATOM 537 CE LYS A 35 -9.850 8.677 -12.086 1.00 44.43 C ATOM 538 NZ LYS A 35 -10.892 9.421 -12.854 1.00 71.13 N ATOM 0 H LYS A 35 -7.185 6.513 -9.495 1.00 64.24 H new ATOM 0 HA LYS A 35 -5.765 5.595 -11.745 1.00 35.51 H new ATOM 0 HB2 LYS A 35 -7.253 8.224 -11.305 1.00 23.41 H new ATOM 0 HB3 LYS A 35 -6.766 7.597 -12.868 1.00 23.41 H new ATOM 0 HG2 LYS A 35 -8.241 5.581 -12.474 1.00 4.15 H new ATOM 0 HG3 LYS A 35 -8.778 6.303 -10.970 1.00 4.15 H new ATOM 0 HD2 LYS A 35 -9.164 7.503 -13.762 1.00 3.00 H new ATOM 0 HD3 LYS A 35 -10.409 6.721 -12.808 1.00 3.00 H new ATOM 0 HE2 LYS A 35 -10.202 8.506 -11.069 1.00 44.43 H new ATOM 0 HE3 LYS A 35 -8.949 9.286 -12.014 1.00 44.43 H new ATOM 0 HZ1 LYS A 35 -11.095 10.324 -12.379 1.00 71.13 H new ATOM 0 HZ2 LYS A 35 -10.547 9.607 -13.817 1.00 71.13 H new ATOM 0 HZ3 LYS A 35 -11.761 8.852 -12.902 1.00 71.13 H new ATOM 552 N GLU A 36 -4.545 8.305 -10.278 1.00 74.31 N ATOM 553 CA GLU A 36 -3.357 9.148 -10.085 1.00 32.03 C ATOM 554 C GLU A 36 -2.133 8.265 -9.826 1.00 12.42 C ATOM 555 O GLU A 36 -1.141 8.338 -10.543 1.00 72.51 O ATOM 556 CB GLU A 36 -3.592 10.106 -8.880 1.00 13.01 C ATOM 557 CG GLU A 36 -2.432 11.077 -8.548 1.00 53.42 C ATOM 558 CD GLU A 36 -2.061 12.053 -9.686 1.00 22.44 C ATOM 559 OE1 GLU A 36 -0.872 12.117 -10.072 1.00 2.24 O ATOM 560 OE2 GLU A 36 -2.957 12.771 -10.184 1.00 15.52 O ATOM 0 H GLU A 36 -5.297 8.507 -9.619 1.00 74.31 H new ATOM 0 HA GLU A 36 -3.180 9.740 -10.983 1.00 32.03 H new ATOM 0 HB2 GLU A 36 -4.487 10.695 -9.079 1.00 13.01 H new ATOM 0 HB3 GLU A 36 -3.798 9.502 -7.996 1.00 13.01 H new ATOM 0 HG2 GLU A 36 -2.703 11.656 -7.665 1.00 53.42 H new ATOM 0 HG3 GLU A 36 -1.550 10.492 -8.288 1.00 53.42 H new ATOM 567 N ILE A 37 -2.288 7.366 -8.848 1.00 63.34 N ATOM 568 CA ILE A 37 -1.204 6.540 -8.303 1.00 74.14 C ATOM 569 C ILE A 37 -0.653 5.537 -9.344 1.00 34.20 C ATOM 570 O ILE A 37 0.563 5.331 -9.429 1.00 12.15 O ATOM 571 CB ILE A 37 -1.726 5.804 -7.021 1.00 21.44 C ATOM 572 CG1 ILE A 37 -2.277 6.840 -5.981 1.00 45.34 C ATOM 573 CG2 ILE A 37 -0.649 4.911 -6.389 1.00 41.15 C ATOM 574 CD1 ILE A 37 -1.323 7.975 -5.617 1.00 44.01 C ATOM 0 H ILE A 37 -3.189 7.188 -8.404 1.00 63.34 H new ATOM 0 HA ILE A 37 -0.369 7.188 -8.039 1.00 74.14 H new ATOM 0 HB ILE A 37 -2.541 5.149 -7.328 1.00 21.44 H new ATOM 0 HG12 ILE A 37 -3.195 7.273 -6.377 1.00 45.34 H new ATOM 0 HG13 ILE A 37 -2.544 6.306 -5.069 1.00 45.34 H new ATOM 0 HG21 ILE A 37 -1.056 4.421 -5.504 1.00 41.15 H new ATOM 0 HG22 ILE A 37 -0.334 4.156 -7.109 1.00 41.15 H new ATOM 0 HG23 ILE A 37 0.208 5.521 -6.104 1.00 41.15 H new ATOM 0 HD11 ILE A 37 -1.801 8.634 -4.892 1.00 44.01 H new ATOM 0 HD12 ILE A 37 -0.412 7.560 -5.185 1.00 44.01 H new ATOM 0 HD13 ILE A 37 -1.074 8.542 -6.514 1.00 44.01 H new ATOM 586 N ILE A 38 -1.567 4.955 -10.143 1.00 34.22 N ATOM 587 CA ILE A 38 -1.238 4.049 -11.264 1.00 13.04 C ATOM 588 C ILE A 38 -0.350 4.782 -12.291 1.00 71.24 C ATOM 589 O ILE A 38 0.649 4.231 -12.787 1.00 12.10 O ATOM 590 CB ILE A 38 -2.570 3.518 -11.944 1.00 44.04 C ATOM 591 CG1 ILE A 38 -3.340 2.580 -10.959 1.00 31.22 C ATOM 592 CG2 ILE A 38 -2.314 2.814 -13.301 1.00 52.43 C ATOM 593 CD1 ILE A 38 -4.717 2.128 -11.424 1.00 22.52 C ATOM 0 H ILE A 38 -2.570 5.102 -10.028 1.00 34.22 H new ATOM 0 HA ILE A 38 -0.684 3.191 -10.882 1.00 13.04 H new ATOM 0 HB ILE A 38 -3.189 4.388 -12.165 1.00 44.04 H new ATOM 0 HG12 ILE A 38 -2.730 1.696 -10.775 1.00 31.22 H new ATOM 0 HG13 ILE A 38 -3.449 3.096 -10.005 1.00 31.22 H new ATOM 0 HG21 ILE A 38 -3.261 2.472 -13.718 1.00 52.43 H new ATOM 0 HG22 ILE A 38 -1.845 3.515 -13.992 1.00 52.43 H new ATOM 0 HG23 ILE A 38 -1.655 1.959 -13.149 1.00 52.43 H new ATOM 0 HD11 ILE A 38 -5.163 1.482 -10.667 1.00 22.52 H new ATOM 0 HD12 ILE A 38 -5.353 3.000 -11.578 1.00 22.52 H new ATOM 0 HD13 ILE A 38 -4.622 1.578 -12.360 1.00 22.52 H new ATOM 605 N ASP A 39 -0.704 6.058 -12.555 1.00 2.23 N ATOM 606 CA ASP A 39 0.026 6.899 -13.509 1.00 14.55 C ATOM 607 C ASP A 39 1.359 7.400 -12.913 1.00 4.12 C ATOM 608 O ASP A 39 2.298 7.641 -13.656 1.00 30.32 O ATOM 609 CB ASP A 39 -0.839 8.087 -14.006 1.00 72.41 C ATOM 610 CG ASP A 39 -0.197 8.823 -15.206 1.00 55.34 C ATOM 611 OD1 ASP A 39 0.162 10.014 -15.093 1.00 32.40 O ATOM 612 OD2 ASP A 39 -0.018 8.185 -16.272 1.00 63.23 O ATOM 0 H ASP A 39 -1.497 6.524 -12.114 1.00 2.23 H new ATOM 0 HA ASP A 39 0.257 6.276 -14.373 1.00 14.55 H new ATOM 0 HB2 ASP A 39 -1.824 7.720 -14.293 1.00 72.41 H new ATOM 0 HB3 ASP A 39 -0.987 8.792 -13.188 1.00 72.41 H new ATOM 617 N ARG A 40 1.451 7.517 -11.570 1.00 4.22 N ATOM 618 CA ARG A 40 2.721 7.893 -10.896 1.00 34.44 C ATOM 619 C ARG A 40 3.708 6.714 -10.950 1.00 4.22 C ATOM 620 O ARG A 40 4.917 6.909 -11.052 1.00 41.42 O ATOM 621 CB ARG A 40 2.501 8.334 -9.423 1.00 51.42 C ATOM 622 CG ARG A 40 1.435 9.425 -9.232 1.00 64.32 C ATOM 623 CD ARG A 40 1.436 10.049 -7.825 1.00 1.54 C ATOM 624 NE ARG A 40 2.558 10.989 -7.638 1.00 30.13 N ATOM 625 CZ ARG A 40 2.495 12.313 -7.863 1.00 20.32 C ATOM 626 NH1 ARG A 40 1.369 12.880 -8.291 1.00 22.22 N ATOM 627 NH2 ARG A 40 3.566 13.068 -7.668 1.00 60.25 N ATOM 0 H ARG A 40 0.670 7.359 -10.933 1.00 4.22 H new ATOM 0 HA ARG A 40 3.134 8.748 -11.431 1.00 34.44 H new ATOM 0 HB2 ARG A 40 2.217 7.461 -8.835 1.00 51.42 H new ATOM 0 HB3 ARG A 40 3.447 8.695 -9.021 1.00 51.42 H new ATOM 0 HG2 ARG A 40 1.596 10.212 -9.969 1.00 64.32 H new ATOM 0 HG3 ARG A 40 0.452 8.999 -9.431 1.00 64.32 H new ATOM 0 HD2 ARG A 40 0.494 10.572 -7.659 1.00 1.54 H new ATOM 0 HD3 ARG A 40 1.497 9.258 -7.078 1.00 1.54 H new ATOM 0 HE ARG A 40 3.446 10.606 -7.314 1.00 30.13 H new ATOM 0 HH11 ARG A 40 0.540 12.309 -8.452 1.00 22.22 H new ATOM 0 HH12 ARG A 40 1.336 13.886 -8.457 1.00 22.22 H new ATOM 0 HH21 ARG A 40 4.437 12.645 -7.348 1.00 60.25 H new ATOM 0 HH22 ARG A 40 3.520 14.073 -7.838 1.00 60.25 H new ATOM 641 N LEU A 41 3.162 5.491 -10.898 1.00 51.31 N ATOM 642 CA LEU A 41 3.936 4.256 -11.101 1.00 61.52 C ATOM 643 C LEU A 41 4.399 4.158 -12.578 1.00 14.55 C ATOM 644 O LEU A 41 5.476 3.627 -12.851 1.00 42.13 O ATOM 645 CB LEU A 41 3.085 3.031 -10.671 1.00 13.33 C ATOM 646 CG LEU A 41 2.767 2.923 -9.139 1.00 42.10 C ATOM 647 CD1 LEU A 41 1.615 1.929 -8.860 1.00 63.12 C ATOM 648 CD2 LEU A 41 4.033 2.544 -8.340 1.00 1.43 C ATOM 0 H LEU A 41 2.172 5.329 -10.714 1.00 51.31 H new ATOM 0 HA LEU A 41 4.832 4.271 -10.480 1.00 61.52 H new ATOM 0 HB2 LEU A 41 2.142 3.058 -11.217 1.00 13.33 H new ATOM 0 HB3 LEU A 41 3.606 2.125 -10.979 1.00 13.33 H new ATOM 0 HG LEU A 41 2.434 3.905 -8.804 1.00 42.10 H new ATOM 0 HD11 LEU A 41 1.426 1.883 -7.788 1.00 63.12 H new ATOM 0 HD12 LEU A 41 0.714 2.263 -9.374 1.00 63.12 H new ATOM 0 HD13 LEU A 41 1.893 0.939 -9.222 1.00 63.12 H new ATOM 0 HD21 LEU A 41 3.787 2.475 -7.280 1.00 1.43 H new ATOM 0 HD22 LEU A 41 4.409 1.582 -8.689 1.00 1.43 H new ATOM 0 HD23 LEU A 41 4.798 3.307 -8.486 1.00 1.43 H new ATOM 660 N LYS A 42 3.576 4.717 -13.512 1.00 40.31 N ATOM 661 CA LYS A 42 3.961 4.906 -14.941 1.00 32.51 C ATOM 662 C LYS A 42 5.107 5.939 -15.088 1.00 4.14 C ATOM 663 O LYS A 42 5.966 5.802 -15.964 1.00 53.20 O ATOM 664 CB LYS A 42 2.737 5.338 -15.802 1.00 62.34 C ATOM 665 CG LYS A 42 1.652 4.250 -15.958 1.00 1.43 C ATOM 666 CD LYS A 42 0.328 4.729 -16.629 1.00 50.23 C ATOM 667 CE LYS A 42 0.445 5.081 -18.133 1.00 52.24 C ATOM 668 NZ LYS A 42 1.223 6.328 -18.389 1.00 23.04 N ATOM 0 H LYS A 42 2.635 5.046 -13.297 1.00 40.31 H new ATOM 0 HA LYS A 42 4.320 3.944 -15.306 1.00 32.51 H new ATOM 0 HB2 LYS A 42 2.286 6.222 -15.352 1.00 62.34 H new ATOM 0 HB3 LYS A 42 3.089 5.628 -16.792 1.00 62.34 H new ATOM 0 HG2 LYS A 42 2.064 3.430 -16.546 1.00 1.43 H new ATOM 0 HG3 LYS A 42 1.417 3.849 -14.972 1.00 1.43 H new ATOM 0 HD2 LYS A 42 -0.424 3.949 -16.512 1.00 50.23 H new ATOM 0 HD3 LYS A 42 -0.036 5.606 -16.094 1.00 50.23 H new ATOM 0 HE2 LYS A 42 0.919 4.251 -18.657 1.00 52.24 H new ATOM 0 HE3 LYS A 42 -0.555 5.193 -18.552 1.00 52.24 H new ATOM 0 HZ1 LYS A 42 0.796 6.847 -19.183 1.00 23.04 H new ATOM 0 HZ2 LYS A 42 1.211 6.926 -17.538 1.00 23.04 H new ATOM 0 HZ3 LYS A 42 2.206 6.082 -18.625 1.00 23.04 H new ATOM 682 N ARG A 43 5.109 6.966 -14.210 1.00 1.02 N ATOM 683 CA ARG A 43 6.177 7.999 -14.165 1.00 63.43 C ATOM 684 C ARG A 43 7.445 7.464 -13.474 1.00 15.30 C ATOM 685 O ARG A 43 8.466 8.170 -13.443 1.00 24.52 O ATOM 686 CB ARG A 43 5.683 9.270 -13.407 1.00 32.04 C ATOM 687 CG ARG A 43 4.398 9.897 -13.984 1.00 1.54 C ATOM 688 CD ARG A 43 3.798 10.999 -13.089 1.00 54.44 C ATOM 689 NE ARG A 43 2.355 11.198 -13.344 1.00 5.22 N ATOM 690 CZ ARG A 43 1.481 11.720 -12.469 1.00 63.41 C ATOM 691 NH1 ARG A 43 1.883 12.136 -11.261 1.00 61.15 N ATOM 692 NH2 ARG A 43 0.197 11.801 -12.798 1.00 31.13 N ATOM 0 H ARG A 43 4.376 7.105 -13.514 1.00 1.02 H new ATOM 0 HA ARG A 43 6.418 8.258 -15.196 1.00 63.43 H new ATOM 0 HB2 ARG A 43 5.509 9.011 -12.363 1.00 32.04 H new ATOM 0 HB3 ARG A 43 6.476 10.018 -13.422 1.00 32.04 H new ATOM 0 HG2 ARG A 43 4.617 10.316 -14.966 1.00 1.54 H new ATOM 0 HG3 ARG A 43 3.655 9.113 -14.130 1.00 1.54 H new ATOM 0 HD2 ARG A 43 3.948 10.737 -12.042 1.00 54.44 H new ATOM 0 HD3 ARG A 43 4.329 11.935 -13.262 1.00 54.44 H new ATOM 0 HE ARG A 43 1.996 10.917 -14.256 1.00 5.22 H new ATOM 0 HH11 ARG A 43 2.865 12.058 -10.995 1.00 61.15 H new ATOM 0 HH12 ARG A 43 1.207 12.531 -10.607 1.00 61.15 H new ATOM 0 HH21 ARG A 43 -0.118 11.468 -13.709 1.00 31.13 H new ATOM 0 HH22 ARG A 43 -0.474 12.196 -12.139 1.00 31.13 H new ATOM 706 N ARG A 44 7.351 6.235 -12.892 1.00 35.44 N ATOM 707 CA ARG A 44 8.428 5.604 -12.081 1.00 73.22 C ATOM 708 C ARG A 44 8.703 6.436 -10.802 1.00 43.20 C ATOM 709 O ARG A 44 9.715 6.254 -10.124 1.00 51.04 O ATOM 710 CB ARG A 44 9.719 5.422 -12.933 1.00 50.31 C ATOM 711 CG ARG A 44 9.527 4.613 -14.241 1.00 74.42 C ATOM 712 CD ARG A 44 9.413 3.108 -14.012 1.00 74.41 C ATOM 713 NE ARG A 44 10.640 2.552 -13.414 1.00 62.25 N ATOM 714 CZ ARG A 44 11.360 1.539 -13.918 1.00 33.41 C ATOM 715 NH1 ARG A 44 10.992 0.933 -15.044 1.00 20.02 N ATOM 716 NH2 ARG A 44 12.441 1.133 -13.281 1.00 44.21 N ATOM 0 H ARG A 44 6.518 5.652 -12.974 1.00 35.44 H new ATOM 0 HA ARG A 44 8.096 4.614 -11.768 1.00 73.22 H new ATOM 0 HB2 ARG A 44 10.112 6.407 -13.186 1.00 50.31 H new ATOM 0 HB3 ARG A 44 10.473 4.925 -12.323 1.00 50.31 H new ATOM 0 HG2 ARG A 44 8.629 4.965 -14.748 1.00 74.42 H new ATOM 0 HG3 ARG A 44 10.367 4.809 -14.907 1.00 74.42 H new ATOM 0 HD2 ARG A 44 8.565 2.903 -13.359 1.00 74.41 H new ATOM 0 HD3 ARG A 44 9.213 2.610 -14.961 1.00 74.41 H new ATOM 0 HE ARG A 44 10.969 2.973 -12.545 1.00 62.25 H new ATOM 0 HH11 ARG A 44 10.152 1.238 -15.536 1.00 20.02 H new ATOM 0 HH12 ARG A 44 11.550 0.164 -15.415 1.00 20.02 H new ATOM 0 HH21 ARG A 44 12.723 1.589 -12.413 1.00 44.21 H new ATOM 0 HH22 ARG A 44 12.995 0.363 -13.656 1.00 44.21 H new ATOM 730 N ASN A 45 7.727 7.294 -10.471 1.00 11.24 N ATOM 731 CA ASN A 45 7.831 8.359 -9.460 1.00 71.24 C ATOM 732 C ASN A 45 7.935 7.797 -8.037 1.00 1.22 C ATOM 733 O ASN A 45 8.547 8.410 -7.162 1.00 51.13 O ATOM 734 CB ASN A 45 6.569 9.265 -9.589 1.00 65.44 C ATOM 735 CG ASN A 45 6.635 10.574 -8.814 1.00 61.12 C ATOM 736 OD1 ASN A 45 5.664 10.978 -8.166 1.00 35.05 O ATOM 737 ND2 ASN A 45 7.754 11.277 -8.928 1.00 40.52 N ATOM 0 H ASN A 45 6.810 7.265 -10.916 1.00 11.24 H new ATOM 0 HA ASN A 45 8.742 8.930 -9.638 1.00 71.24 H new ATOM 0 HB2 ASN A 45 6.409 9.492 -10.643 1.00 65.44 H new ATOM 0 HB3 ASN A 45 5.700 8.702 -9.249 1.00 65.44 H new ATOM 0 HD21 ASN A 45 7.834 12.186 -8.471 1.00 40.52 H new ATOM 0 HD22 ASN A 45 8.534 10.909 -9.472 1.00 40.52 H new ATOM 744 N ILE A 46 7.342 6.614 -7.843 1.00 2.21 N ATOM 745 CA ILE A 46 7.157 6.006 -6.520 1.00 74.32 C ATOM 746 C ILE A 46 8.231 4.927 -6.276 1.00 74.13 C ATOM 747 O ILE A 46 8.369 3.997 -7.075 1.00 11.01 O ATOM 748 CB ILE A 46 5.716 5.392 -6.396 1.00 10.52 C ATOM 749 CG1 ILE A 46 4.630 6.449 -6.788 1.00 72.32 C ATOM 750 CG2 ILE A 46 5.469 4.854 -4.973 1.00 62.34 C ATOM 751 CD1 ILE A 46 3.191 5.964 -6.689 1.00 32.35 C ATOM 0 H ILE A 46 6.974 6.046 -8.606 1.00 2.21 H new ATOM 0 HA ILE A 46 7.265 6.780 -5.760 1.00 74.32 H new ATOM 0 HB ILE A 46 5.642 4.555 -7.090 1.00 10.52 H new ATOM 0 HG12 ILE A 46 4.747 7.323 -6.147 1.00 72.32 H new ATOM 0 HG13 ILE A 46 4.817 6.777 -7.811 1.00 72.32 H new ATOM 0 HG21 ILE A 46 4.465 4.434 -4.912 1.00 62.34 H new ATOM 0 HG22 ILE A 46 6.201 4.079 -4.745 1.00 62.34 H new ATOM 0 HG23 ILE A 46 5.566 5.668 -4.254 1.00 62.34 H new ATOM 0 HD11 ILE A 46 2.515 6.768 -6.981 1.00 32.35 H new ATOM 0 HD12 ILE A 46 3.048 5.111 -7.352 1.00 32.35 H new ATOM 0 HD13 ILE A 46 2.978 5.665 -5.663 1.00 32.35 H new ATOM 763 N ASP A 47 8.984 5.069 -5.174 1.00 14.34 N ATOM 764 CA ASP A 47 10.072 4.136 -4.791 1.00 74.02 C ATOM 765 C ASP A 47 9.503 2.938 -4.022 1.00 32.31 C ATOM 766 O ASP A 47 9.970 1.796 -4.161 1.00 63.22 O ATOM 767 CB ASP A 47 11.115 4.899 -3.928 1.00 61.44 C ATOM 768 CG ASP A 47 12.168 4.003 -3.244 1.00 31.44 C ATOM 769 OD1 ASP A 47 11.966 3.605 -2.076 1.00 24.12 O ATOM 770 OD2 ASP A 47 13.204 3.690 -3.864 1.00 65.02 O ATOM 0 H ASP A 47 8.860 5.837 -4.515 1.00 14.34 H new ATOM 0 HA ASP A 47 10.559 3.756 -5.689 1.00 74.02 H new ATOM 0 HB2 ASP A 47 11.630 5.622 -4.560 1.00 61.44 H new ATOM 0 HB3 ASP A 47 10.587 5.465 -3.161 1.00 61.44 H new ATOM 775 N MET A 48 8.505 3.234 -3.192 1.00 60.32 N ATOM 776 CA MET A 48 7.818 2.255 -2.359 1.00 53.45 C ATOM 777 C MET A 48 6.378 2.726 -2.116 1.00 75.52 C ATOM 778 O MET A 48 6.130 3.918 -1.919 1.00 41.22 O ATOM 779 CB MET A 48 8.588 2.025 -1.030 1.00 41.15 C ATOM 780 CG MET A 48 8.818 3.274 -0.167 1.00 32.31 C ATOM 781 SD MET A 48 9.901 2.968 1.255 1.00 51.32 S ATOM 782 CE MET A 48 9.071 1.609 2.078 1.00 21.34 C ATOM 0 H MET A 48 8.145 4.182 -3.079 1.00 60.32 H new ATOM 0 HA MET A 48 7.785 1.293 -2.871 1.00 53.45 H new ATOM 0 HB2 MET A 48 8.041 1.292 -0.437 1.00 41.15 H new ATOM 0 HB3 MET A 48 9.557 1.585 -1.265 1.00 41.15 H new ATOM 0 HG2 MET A 48 9.253 4.060 -0.785 1.00 32.31 H new ATOM 0 HG3 MET A 48 7.857 3.644 0.189 1.00 32.31 H new ATOM 0 HE1 MET A 48 9.492 1.475 3.074 1.00 21.34 H new ATOM 0 HE2 MET A 48 8.007 1.829 2.160 1.00 21.34 H new ATOM 0 HE3 MET A 48 9.209 0.695 1.500 1.00 21.34 H new ATOM 792 N ILE A 49 5.436 1.790 -2.144 1.00 22.24 N ATOM 793 CA ILE A 49 4.006 2.080 -2.089 1.00 2.43 C ATOM 794 C ILE A 49 3.311 1.042 -1.203 1.00 65.43 C ATOM 795 O ILE A 49 3.681 -0.137 -1.200 1.00 34.01 O ATOM 796 CB ILE A 49 3.374 2.093 -3.533 1.00 3.30 C ATOM 797 CG1 ILE A 49 1.837 2.370 -3.486 1.00 31.20 C ATOM 798 CG2 ILE A 49 3.690 0.788 -4.308 1.00 61.21 C ATOM 799 CD1 ILE A 49 1.160 2.406 -4.840 1.00 30.21 C ATOM 0 H ILE A 49 5.646 0.794 -2.206 1.00 22.24 H new ATOM 0 HA ILE A 49 3.864 3.072 -1.660 1.00 2.43 H new ATOM 0 HB ILE A 49 3.837 2.915 -4.078 1.00 3.30 H new ATOM 0 HG12 ILE A 49 1.361 1.601 -2.877 1.00 31.20 H new ATOM 0 HG13 ILE A 49 1.668 3.323 -2.985 1.00 31.20 H new ATOM 0 HG21 ILE A 49 3.238 0.835 -5.299 1.00 61.21 H new ATOM 0 HG22 ILE A 49 4.770 0.676 -4.407 1.00 61.21 H new ATOM 0 HG23 ILE A 49 3.285 -0.065 -3.764 1.00 61.21 H new ATOM 0 HD11 ILE A 49 0.096 2.604 -4.710 1.00 30.21 H new ATOM 0 HD12 ILE A 49 1.604 3.194 -5.448 1.00 30.21 H new ATOM 0 HD13 ILE A 49 1.292 1.446 -5.338 1.00 30.21 H new ATOM 811 N ILE A 50 2.332 1.501 -0.418 1.00 25.23 N ATOM 812 CA ILE A 50 1.519 0.643 0.444 1.00 43.50 C ATOM 813 C ILE A 50 0.040 0.902 0.116 1.00 71.13 C ATOM 814 O ILE A 50 -0.438 2.034 0.240 1.00 45.14 O ATOM 815 CB ILE A 50 1.824 0.921 1.965 1.00 54.00 C ATOM 816 CG1 ILE A 50 3.350 0.722 2.264 1.00 40.13 C ATOM 817 CG2 ILE A 50 0.951 0.028 2.874 1.00 72.21 C ATOM 818 CD1 ILE A 50 3.785 1.025 3.683 1.00 73.44 C ATOM 0 H ILE A 50 2.080 2.488 -0.364 1.00 25.23 H new ATOM 0 HA ILE A 50 1.759 -0.405 0.261 1.00 43.50 H new ATOM 0 HB ILE A 50 1.571 1.958 2.184 1.00 54.00 H new ATOM 0 HG12 ILE A 50 3.615 -0.310 2.035 1.00 40.13 H new ATOM 0 HG13 ILE A 50 3.920 1.356 1.585 1.00 40.13 H new ATOM 0 HG21 ILE A 50 1.180 0.238 3.919 1.00 72.21 H new ATOM 0 HG22 ILE A 50 -0.102 0.235 2.684 1.00 72.21 H new ATOM 0 HG23 ILE A 50 1.158 -1.021 2.661 1.00 72.21 H new ATOM 0 HD11 ILE A 50 4.857 0.854 3.779 1.00 73.44 H new ATOM 0 HD12 ILE A 50 3.561 2.065 3.918 1.00 73.44 H new ATOM 0 HD13 ILE A 50 3.251 0.373 4.374 1.00 73.44 H new ATOM 830 N VAL A 51 -0.660 -0.140 -0.357 1.00 74.22 N ATOM 831 CA VAL A 51 -2.066 -0.045 -0.770 1.00 42.00 C ATOM 832 C VAL A 51 -2.947 -0.761 0.255 1.00 53.33 C ATOM 833 O VAL A 51 -2.894 -1.989 0.373 1.00 12.31 O ATOM 834 CB VAL A 51 -2.286 -0.682 -2.196 1.00 25.04 C ATOM 835 CG1 VAL A 51 -3.730 -0.465 -2.707 1.00 73.41 C ATOM 836 CG2 VAL A 51 -1.261 -0.130 -3.199 1.00 44.33 C ATOM 0 H VAL A 51 -0.265 -1.074 -0.464 1.00 74.22 H new ATOM 0 HA VAL A 51 -2.338 1.009 -0.823 1.00 42.00 H new ATOM 0 HB VAL A 51 -2.135 -1.757 -2.102 1.00 25.04 H new ATOM 0 HG11 VAL A 51 -3.839 -0.919 -3.692 1.00 73.41 H new ATOM 0 HG12 VAL A 51 -4.434 -0.926 -2.015 1.00 73.41 H new ATOM 0 HG13 VAL A 51 -3.935 0.603 -2.775 1.00 73.41 H new ATOM 0 HG21 VAL A 51 -1.429 -0.581 -4.177 1.00 44.33 H new ATOM 0 HG22 VAL A 51 -1.372 0.952 -3.275 1.00 44.33 H new ATOM 0 HG23 VAL A 51 -0.254 -0.368 -2.858 1.00 44.33 H new ATOM 846 N LYS A 52 -3.721 0.019 1.015 1.00 31.44 N ATOM 847 CA LYS A 52 -4.760 -0.499 1.905 1.00 22.11 C ATOM 848 C LYS A 52 -6.109 -0.417 1.174 1.00 23.21 C ATOM 849 O LYS A 52 -6.611 0.682 0.917 1.00 62.13 O ATOM 850 CB LYS A 52 -4.778 0.308 3.237 1.00 51.20 C ATOM 851 CG LYS A 52 -5.989 0.045 4.167 1.00 64.15 C ATOM 852 CD LYS A 52 -6.161 -1.429 4.586 1.00 13.30 C ATOM 853 CE LYS A 52 -7.463 -1.650 5.372 1.00 25.12 C ATOM 854 NZ LYS A 52 -8.660 -1.219 4.599 1.00 32.22 N ATOM 0 H LYS A 52 -3.642 1.036 1.029 1.00 31.44 H new ATOM 0 HA LYS A 52 -4.559 -1.539 2.162 1.00 22.11 H new ATOM 0 HB2 LYS A 52 -3.865 0.084 3.788 1.00 51.20 H new ATOM 0 HB3 LYS A 52 -4.752 1.371 2.997 1.00 51.20 H new ATOM 0 HG2 LYS A 52 -5.882 0.655 5.064 1.00 64.15 H new ATOM 0 HG3 LYS A 52 -6.897 0.375 3.663 1.00 64.15 H new ATOM 0 HD2 LYS A 52 -6.160 -2.062 3.698 1.00 13.30 H new ATOM 0 HD3 LYS A 52 -5.311 -1.735 5.196 1.00 13.30 H new ATOM 0 HE2 LYS A 52 -7.557 -2.705 5.628 1.00 25.12 H new ATOM 0 HE3 LYS A 52 -7.419 -1.097 6.310 1.00 25.12 H new ATOM 0 HZ1 LYS A 52 -9.522 -1.478 5.121 1.00 32.22 H new ATOM 0 HZ2 LYS A 52 -8.633 -0.188 4.464 1.00 32.22 H new ATOM 0 HZ3 LYS A 52 -8.662 -1.690 3.672 1.00 32.22 H new ATOM 868 N THR A 53 -6.646 -1.587 0.795 1.00 30.24 N ATOM 869 CA THR A 53 -7.991 -1.717 0.220 1.00 10.30 C ATOM 870 C THR A 53 -8.384 -3.197 0.152 1.00 14.42 C ATOM 871 O THR A 53 -7.519 -4.080 0.155 1.00 33.22 O ATOM 872 CB THR A 53 -8.121 -1.054 -1.204 1.00 64.33 C ATOM 873 OG1 THR A 53 -9.476 -1.145 -1.667 1.00 31.32 O ATOM 874 CG2 THR A 53 -7.190 -1.688 -2.246 1.00 75.24 C ATOM 0 H THR A 53 -6.154 -2.476 0.880 1.00 30.24 H new ATOM 0 HA THR A 53 -8.673 -1.178 0.877 1.00 10.30 H new ATOM 0 HB THR A 53 -7.824 -0.011 -1.090 1.00 64.33 H new ATOM 0 HG1 THR A 53 -9.548 -0.729 -2.551 1.00 31.32 H new ATOM 0 HG21 THR A 53 -7.325 -1.189 -3.206 1.00 75.24 H new ATOM 0 HG22 THR A 53 -6.155 -1.579 -1.923 1.00 75.24 H new ATOM 0 HG23 THR A 53 -7.428 -2.747 -2.350 1.00 75.24 H new ATOM 882 N GLU A 54 -9.696 -3.447 0.113 1.00 43.20 N ATOM 883 CA GLU A 54 -10.269 -4.805 -0.011 1.00 30.35 C ATOM 884 C GLU A 54 -10.729 -5.028 -1.476 1.00 74.13 C ATOM 885 O GLU A 54 -11.141 -6.124 -1.851 1.00 54.34 O ATOM 886 CB GLU A 54 -11.443 -4.940 1.020 1.00 32.12 C ATOM 887 CG GLU A 54 -11.828 -6.382 1.492 1.00 4.13 C ATOM 888 CD GLU A 54 -12.880 -7.089 0.611 1.00 14.42 C ATOM 889 OE1 GLU A 54 -13.960 -6.511 0.394 1.00 20.22 O ATOM 890 OE2 GLU A 54 -12.654 -8.230 0.162 1.00 53.54 O ATOM 0 H GLU A 54 -10.402 -2.712 0.166 1.00 43.20 H new ATOM 0 HA GLU A 54 -9.533 -5.576 0.216 1.00 30.35 H new ATOM 0 HB2 GLU A 54 -11.184 -4.355 1.903 1.00 32.12 H new ATOM 0 HB3 GLU A 54 -12.330 -4.481 0.582 1.00 32.12 H new ATOM 0 HG2 GLU A 54 -10.926 -6.994 1.519 1.00 4.13 H new ATOM 0 HG3 GLU A 54 -12.207 -6.327 2.513 1.00 4.13 H new ATOM 897 N ASP A 55 -10.643 -3.960 -2.304 1.00 30.32 N ATOM 898 CA ASP A 55 -11.043 -3.995 -3.724 1.00 14.22 C ATOM 899 C ASP A 55 -9.921 -4.629 -4.572 1.00 54.04 C ATOM 900 O ASP A 55 -8.856 -4.027 -4.778 1.00 42.44 O ATOM 901 CB ASP A 55 -11.384 -2.570 -4.231 1.00 64.44 C ATOM 902 CG ASP A 55 -11.928 -2.558 -5.674 1.00 72.45 C ATOM 903 OD1 ASP A 55 -11.162 -2.274 -6.619 1.00 74.03 O ATOM 904 OD2 ASP A 55 -13.123 -2.845 -5.873 1.00 40.14 O ATOM 0 H ASP A 55 -10.293 -3.051 -2.002 1.00 30.32 H new ATOM 0 HA ASP A 55 -11.939 -4.607 -3.823 1.00 14.22 H new ATOM 0 HB2 ASP A 55 -12.122 -2.121 -3.567 1.00 64.44 H new ATOM 0 HB3 ASP A 55 -10.490 -1.949 -4.180 1.00 64.44 H new ATOM 909 N LYS A 56 -10.207 -5.844 -5.050 1.00 52.32 N ATOM 910 CA LYS A 56 -9.261 -6.710 -5.790 1.00 75.41 C ATOM 911 C LYS A 56 -8.738 -6.047 -7.083 1.00 51.32 C ATOM 912 O LYS A 56 -7.603 -6.303 -7.482 1.00 2.42 O ATOM 913 CB LYS A 56 -9.900 -8.098 -6.139 1.00 63.32 C ATOM 914 CG LYS A 56 -10.376 -8.955 -4.928 1.00 72.24 C ATOM 915 CD LYS A 56 -11.769 -8.541 -4.388 1.00 3.33 C ATOM 916 CE LYS A 56 -12.197 -9.335 -3.152 1.00 52.42 C ATOM 917 NZ LYS A 56 -12.358 -10.787 -3.424 1.00 1.21 N ATOM 0 H LYS A 56 -11.126 -6.271 -4.934 1.00 52.32 H new ATOM 0 HA LYS A 56 -8.415 -6.864 -5.120 1.00 75.41 H new ATOM 0 HB2 LYS A 56 -10.753 -7.928 -6.796 1.00 63.32 H new ATOM 0 HB3 LYS A 56 -9.172 -8.679 -6.706 1.00 63.32 H new ATOM 0 HG2 LYS A 56 -10.407 -10.003 -5.225 1.00 72.24 H new ATOM 0 HG3 LYS A 56 -9.644 -8.872 -4.124 1.00 72.24 H new ATOM 0 HD2 LYS A 56 -11.755 -7.479 -4.143 1.00 3.33 H new ATOM 0 HD3 LYS A 56 -12.511 -8.677 -5.174 1.00 3.33 H new ATOM 0 HE2 LYS A 56 -11.456 -9.198 -2.364 1.00 52.42 H new ATOM 0 HE3 LYS A 56 -13.139 -8.934 -2.777 1.00 52.42 H new ATOM 0 HZ1 LYS A 56 -12.681 -11.268 -2.561 1.00 1.21 H new ATOM 0 HZ2 LYS A 56 -13.060 -10.923 -4.179 1.00 1.21 H new ATOM 0 HZ3 LYS A 56 -11.446 -11.187 -3.723 1.00 1.21 H new ATOM 931 N GLU A 57 -9.576 -5.208 -7.721 1.00 41.01 N ATOM 932 CA GLU A 57 -9.219 -4.492 -8.962 1.00 43.23 C ATOM 933 C GLU A 57 -8.168 -3.401 -8.692 1.00 24.44 C ATOM 934 O GLU A 57 -7.224 -3.253 -9.469 1.00 24.31 O ATOM 935 CB GLU A 57 -10.493 -3.895 -9.613 1.00 65.22 C ATOM 936 CG GLU A 57 -11.525 -4.950 -10.065 1.00 14.41 C ATOM 937 CD GLU A 57 -12.835 -4.334 -10.583 1.00 42.13 C ATOM 938 OE1 GLU A 57 -12.889 -3.922 -11.759 1.00 4.14 O ATOM 939 OE2 GLU A 57 -13.816 -4.247 -9.811 1.00 64.43 O ATOM 0 H GLU A 57 -10.520 -5.007 -7.391 1.00 41.01 H new ATOM 0 HA GLU A 57 -8.775 -5.203 -9.658 1.00 43.23 H new ATOM 0 HB2 GLU A 57 -10.968 -3.219 -8.902 1.00 65.22 H new ATOM 0 HB3 GLU A 57 -10.200 -3.296 -10.475 1.00 65.22 H new ATOM 0 HG2 GLU A 57 -11.085 -5.566 -10.850 1.00 14.41 H new ATOM 0 HG3 GLU A 57 -11.748 -5.612 -9.228 1.00 14.41 H new ATOM 946 N SER A 58 -8.318 -2.671 -7.565 1.00 43.33 N ATOM 947 CA SER A 58 -7.346 -1.636 -7.155 1.00 53.02 C ATOM 948 C SER A 58 -5.977 -2.279 -6.878 1.00 0.40 C ATOM 949 O SER A 58 -4.950 -1.821 -7.379 1.00 73.41 O ATOM 950 CB SER A 58 -7.835 -0.892 -5.893 1.00 74.41 C ATOM 951 OG SER A 58 -9.118 -0.333 -6.086 1.00 13.42 O ATOM 0 H SER A 58 -9.103 -2.780 -6.924 1.00 43.33 H new ATOM 0 HA SER A 58 -7.251 -0.917 -7.968 1.00 53.02 H new ATOM 0 HB2 SER A 58 -7.861 -1.582 -5.050 1.00 74.41 H new ATOM 0 HB3 SER A 58 -7.128 -0.103 -5.638 1.00 74.41 H new ATOM 0 HG SER A 58 -9.769 -1.051 -6.233 1.00 13.42 H new ATOM 957 N ILE A 59 -6.014 -3.371 -6.100 1.00 42.54 N ATOM 958 CA ILE A 59 -4.825 -4.152 -5.729 1.00 41.52 C ATOM 959 C ILE A 59 -4.098 -4.672 -6.993 1.00 73.55 C ATOM 960 O ILE A 59 -2.892 -4.461 -7.152 1.00 10.34 O ATOM 961 CB ILE A 59 -5.244 -5.352 -4.790 1.00 63.31 C ATOM 962 CG1 ILE A 59 -5.923 -4.809 -3.487 1.00 51.24 C ATOM 963 CG2 ILE A 59 -4.047 -6.263 -4.452 1.00 2.31 C ATOM 964 CD1 ILE A 59 -6.546 -5.865 -2.590 1.00 14.12 C ATOM 0 H ILE A 59 -6.880 -3.740 -5.707 1.00 42.54 H new ATOM 0 HA ILE A 59 -4.134 -3.507 -5.186 1.00 41.52 H new ATOM 0 HB ILE A 59 -5.966 -5.963 -5.332 1.00 63.31 H new ATOM 0 HG12 ILE A 59 -5.178 -4.260 -2.911 1.00 51.24 H new ATOM 0 HG13 ILE A 59 -6.696 -4.095 -3.771 1.00 51.24 H new ATOM 0 HG21 ILE A 59 -4.379 -7.075 -3.805 1.00 2.31 H new ATOM 0 HG22 ILE A 59 -3.634 -6.678 -5.372 1.00 2.31 H new ATOM 0 HG23 ILE A 59 -3.280 -5.681 -3.940 1.00 2.31 H new ATOM 0 HD11 ILE A 59 -6.988 -5.386 -1.717 1.00 14.12 H new ATOM 0 HD12 ILE A 59 -7.319 -6.400 -3.141 1.00 14.12 H new ATOM 0 HD13 ILE A 59 -5.778 -6.568 -2.268 1.00 14.12 H new ATOM 976 N SER A 60 -4.881 -5.282 -7.906 1.00 13.23 N ATOM 977 CA SER A 60 -4.377 -5.907 -9.140 1.00 32.32 C ATOM 978 C SER A 60 -3.585 -4.901 -10.009 1.00 42.15 C ATOM 979 O SER A 60 -2.391 -5.116 -10.282 1.00 40.03 O ATOM 980 CB SER A 60 -5.566 -6.506 -9.936 1.00 50.45 C ATOM 981 OG SER A 60 -5.131 -7.235 -11.070 1.00 12.41 O ATOM 0 H SER A 60 -5.893 -5.354 -7.803 1.00 13.23 H new ATOM 0 HA SER A 60 -3.686 -6.704 -8.866 1.00 32.32 H new ATOM 0 HB2 SER A 60 -6.146 -7.160 -9.285 1.00 50.45 H new ATOM 0 HB3 SER A 60 -6.231 -5.703 -10.254 1.00 50.45 H new ATOM 0 HG SER A 60 -5.908 -7.598 -11.544 1.00 12.41 H new ATOM 987 N GLU A 61 -4.245 -3.771 -10.358 1.00 51.42 N ATOM 988 CA GLU A 61 -3.693 -2.758 -11.278 1.00 55.15 C ATOM 989 C GLU A 61 -2.374 -2.171 -10.750 1.00 25.15 C ATOM 990 O GLU A 61 -1.366 -2.159 -11.474 1.00 15.20 O ATOM 991 CB GLU A 61 -4.726 -1.629 -11.545 1.00 23.33 C ATOM 992 CG GLU A 61 -6.047 -2.102 -12.193 1.00 55.14 C ATOM 993 CD GLU A 61 -5.847 -2.910 -13.488 1.00 42.33 C ATOM 994 OE1 GLU A 61 -5.956 -4.154 -13.459 1.00 61.31 O ATOM 995 OE2 GLU A 61 -5.584 -2.300 -14.543 1.00 43.13 O ATOM 0 H GLU A 61 -5.175 -3.540 -10.008 1.00 51.42 H new ATOM 0 HA GLU A 61 -3.478 -3.259 -12.222 1.00 55.15 H new ATOM 0 HB2 GLU A 61 -4.957 -1.136 -10.601 1.00 23.33 H new ATOM 0 HB3 GLU A 61 -4.267 -0.881 -12.192 1.00 23.33 H new ATOM 0 HG2 GLU A 61 -6.595 -2.713 -11.475 1.00 55.14 H new ATOM 0 HG3 GLU A 61 -6.667 -1.232 -12.410 1.00 55.14 H new ATOM 1002 N ILE A 62 -2.373 -1.737 -9.466 1.00 54.13 N ATOM 1003 CA ILE A 62 -1.180 -1.148 -8.837 1.00 65.43 C ATOM 1004 C ILE A 62 0.011 -2.140 -8.875 1.00 11.43 C ATOM 1005 O ILE A 62 1.093 -1.754 -9.318 1.00 55.44 O ATOM 1006 CB ILE A 62 -1.442 -0.632 -7.356 1.00 61.21 C ATOM 1007 CG1 ILE A 62 -2.117 0.792 -7.329 1.00 21.43 C ATOM 1008 CG2 ILE A 62 -0.135 -0.599 -6.527 1.00 43.23 C ATOM 1009 CD1 ILE A 62 -3.540 0.871 -7.845 1.00 2.11 C ATOM 0 H ILE A 62 -3.186 -1.786 -8.852 1.00 54.13 H new ATOM 0 HA ILE A 62 -0.925 -0.268 -9.427 1.00 65.43 H new ATOM 0 HB ILE A 62 -2.132 -1.345 -6.906 1.00 61.21 H new ATOM 0 HG12 ILE A 62 -2.105 1.157 -6.302 1.00 21.43 H new ATOM 0 HG13 ILE A 62 -1.502 1.473 -7.917 1.00 21.43 H new ATOM 0 HG21 ILE A 62 -0.352 -0.241 -5.520 1.00 43.23 H new ATOM 0 HG22 ILE A 62 0.287 -1.603 -6.473 1.00 43.23 H new ATOM 0 HG23 ILE A 62 0.581 0.070 -7.003 1.00 43.23 H new ATOM 0 HD11 ILE A 62 -3.895 1.899 -7.776 1.00 2.11 H new ATOM 0 HD12 ILE A 62 -3.568 0.546 -8.885 1.00 2.11 H new ATOM 0 HD13 ILE A 62 -4.181 0.225 -7.245 1.00 2.11 H new ATOM 1021 N ILE A 63 -0.216 -3.423 -8.471 1.00 50.24 N ATOM 1022 CA ILE A 63 0.859 -4.448 -8.434 1.00 50.22 C ATOM 1023 C ILE A 63 1.535 -4.577 -9.814 1.00 51.32 C ATOM 1024 O ILE A 63 2.760 -4.560 -9.893 1.00 74.35 O ATOM 1025 CB ILE A 63 0.341 -5.862 -7.969 1.00 2.52 C ATOM 1026 CG1 ILE A 63 -0.176 -5.811 -6.502 1.00 14.40 C ATOM 1027 CG2 ILE A 63 1.437 -6.954 -8.113 1.00 53.41 C ATOM 1028 CD1 ILE A 63 -0.818 -7.103 -6.031 1.00 11.24 C ATOM 0 H ILE A 63 -1.128 -3.766 -8.169 1.00 50.24 H new ATOM 0 HA ILE A 63 1.584 -4.104 -7.696 1.00 50.22 H new ATOM 0 HB ILE A 63 -0.488 -6.130 -8.624 1.00 2.52 H new ATOM 0 HG12 ILE A 63 0.657 -5.569 -5.842 1.00 14.40 H new ATOM 0 HG13 ILE A 63 -0.901 -5.002 -6.410 1.00 14.40 H new ATOM 0 HG21 ILE A 63 1.040 -7.914 -7.782 1.00 53.41 H new ATOM 0 HG22 ILE A 63 1.742 -7.028 -9.157 1.00 53.41 H new ATOM 0 HG23 ILE A 63 2.299 -6.687 -7.501 1.00 53.41 H new ATOM 0 HD11 ILE A 63 -1.153 -6.988 -5.000 1.00 11.24 H new ATOM 0 HD12 ILE A 63 -1.672 -7.337 -6.666 1.00 11.24 H new ATOM 0 HD13 ILE A 63 -0.091 -7.913 -6.088 1.00 11.24 H new ATOM 1040 N LYS A 64 0.710 -4.629 -10.885 1.00 13.30 N ATOM 1041 CA LYS A 64 1.195 -4.719 -12.285 1.00 44.34 C ATOM 1042 C LYS A 64 2.158 -3.554 -12.612 1.00 43.34 C ATOM 1043 O LYS A 64 3.231 -3.753 -13.198 1.00 13.41 O ATOM 1044 CB LYS A 64 -0.009 -4.685 -13.266 1.00 3.33 C ATOM 1045 CG LYS A 64 -1.052 -5.801 -13.056 1.00 34.34 C ATOM 1046 CD LYS A 64 -2.317 -5.605 -13.923 1.00 40.13 C ATOM 1047 CE LYS A 64 -3.351 -6.718 -13.725 1.00 74.44 C ATOM 1048 NZ LYS A 64 -4.559 -6.490 -14.560 1.00 71.51 N ATOM 0 H LYS A 64 -0.307 -4.610 -10.806 1.00 13.30 H new ATOM 0 HA LYS A 64 1.734 -5.660 -12.398 1.00 44.34 H new ATOM 0 HB2 LYS A 64 -0.507 -3.720 -13.172 1.00 3.33 H new ATOM 0 HB3 LYS A 64 0.370 -4.750 -14.286 1.00 3.33 H new ATOM 0 HG2 LYS A 64 -0.600 -6.764 -13.292 1.00 34.34 H new ATOM 0 HG3 LYS A 64 -1.338 -5.832 -12.005 1.00 34.34 H new ATOM 0 HD2 LYS A 64 -2.773 -4.645 -13.681 1.00 40.13 H new ATOM 0 HD3 LYS A 64 -2.029 -5.565 -14.974 1.00 40.13 H new ATOM 0 HE2 LYS A 64 -2.906 -7.680 -13.981 1.00 74.44 H new ATOM 0 HE3 LYS A 64 -3.637 -6.768 -12.674 1.00 74.44 H new ATOM 0 HZ1 LYS A 64 -5.171 -7.330 -14.522 1.00 71.51 H new ATOM 0 HZ2 LYS A 64 -5.080 -5.666 -14.199 1.00 71.51 H new ATOM 0 HZ3 LYS A 64 -4.273 -6.315 -15.544 1.00 71.51 H new ATOM 1062 N GLN A 65 1.749 -2.343 -12.198 1.00 41.22 N ATOM 1063 CA GLN A 65 2.519 -1.100 -12.402 1.00 64.14 C ATOM 1064 C GLN A 65 3.826 -1.082 -11.565 1.00 24.52 C ATOM 1065 O GLN A 65 4.839 -0.513 -11.990 1.00 22.30 O ATOM 1066 CB GLN A 65 1.628 0.109 -12.037 1.00 63.34 C ATOM 1067 CG GLN A 65 0.292 0.194 -12.791 1.00 31.52 C ATOM 1068 CD GLN A 65 0.443 0.355 -14.301 1.00 24.43 C ATOM 1069 OE1 GLN A 65 0.499 -0.618 -15.052 1.00 74.21 O ATOM 1070 NE2 GLN A 65 0.506 1.586 -14.756 1.00 44.45 N ATOM 0 H GLN A 65 0.867 -2.196 -11.708 1.00 41.22 H new ATOM 0 HA GLN A 65 2.813 -1.045 -13.450 1.00 64.14 H new ATOM 0 HB2 GLN A 65 1.421 0.076 -10.967 1.00 63.34 H new ATOM 0 HB3 GLN A 65 2.191 1.023 -12.225 1.00 63.34 H new ATOM 0 HG2 GLN A 65 -0.287 -0.707 -12.588 1.00 31.52 H new ATOM 0 HG3 GLN A 65 -0.281 1.035 -12.401 1.00 31.52 H new ATOM 0 HE21 GLN A 65 0.457 2.372 -14.108 1.00 44.45 H new ATOM 0 HE22 GLN A 65 0.604 1.755 -15.757 1.00 44.45 H new ATOM 1079 N VAL A 66 3.784 -1.709 -10.376 1.00 64.44 N ATOM 1080 CA VAL A 66 4.945 -1.807 -9.471 1.00 4.34 C ATOM 1081 C VAL A 66 5.964 -2.838 -10.003 1.00 2.11 C ATOM 1082 O VAL A 66 7.175 -2.635 -9.869 1.00 14.42 O ATOM 1083 CB VAL A 66 4.513 -2.193 -8.006 1.00 15.22 C ATOM 1084 CG1 VAL A 66 5.737 -2.366 -7.087 1.00 11.50 C ATOM 1085 CG2 VAL A 66 3.537 -1.154 -7.415 1.00 72.21 C ATOM 0 H VAL A 66 2.945 -2.162 -10.015 1.00 64.44 H new ATOM 0 HA VAL A 66 5.412 -0.823 -9.438 1.00 4.34 H new ATOM 0 HB VAL A 66 3.995 -3.150 -8.065 1.00 15.22 H new ATOM 0 HG11 VAL A 66 5.404 -2.632 -6.084 1.00 11.50 H new ATOM 0 HG12 VAL A 66 6.377 -3.157 -7.478 1.00 11.50 H new ATOM 0 HG13 VAL A 66 6.297 -1.432 -7.048 1.00 11.50 H new ATOM 0 HG21 VAL A 66 3.259 -1.450 -6.404 1.00 72.21 H new ATOM 0 HG22 VAL A 66 4.019 -0.177 -7.387 1.00 72.21 H new ATOM 0 HG23 VAL A 66 2.643 -1.100 -8.036 1.00 72.21 H new ATOM 1095 N LEU A 67 5.458 -3.930 -10.621 1.00 14.44 N ATOM 1096 CA LEU A 67 6.306 -4.972 -11.240 1.00 43.43 C ATOM 1097 C LEU A 67 7.175 -4.343 -12.346 1.00 43.24 C ATOM 1098 O LEU A 67 8.344 -4.692 -12.505 1.00 23.51 O ATOM 1099 CB LEU A 67 5.444 -6.129 -11.834 1.00 72.24 C ATOM 1100 CG LEU A 67 4.561 -6.947 -10.832 1.00 61.12 C ATOM 1101 CD1 LEU A 67 3.700 -7.994 -11.575 1.00 12.54 C ATOM 1102 CD2 LEU A 67 5.408 -7.607 -9.722 1.00 61.13 C ATOM 0 H LEU A 67 4.458 -4.112 -10.704 1.00 14.44 H new ATOM 0 HA LEU A 67 6.946 -5.395 -10.465 1.00 43.43 H new ATOM 0 HB2 LEU A 67 4.788 -5.706 -12.595 1.00 72.24 H new ATOM 0 HB3 LEU A 67 6.114 -6.824 -12.340 1.00 72.24 H new ATOM 0 HG LEU A 67 3.888 -6.241 -10.345 1.00 61.12 H new ATOM 0 HD11 LEU A 67 3.097 -8.547 -10.854 1.00 12.54 H new ATOM 0 HD12 LEU A 67 3.045 -7.489 -12.284 1.00 12.54 H new ATOM 0 HD13 LEU A 67 4.350 -8.686 -12.111 1.00 12.54 H new ATOM 0 HD21 LEU A 67 4.756 -8.164 -9.049 1.00 61.13 H new ATOM 0 HD22 LEU A 67 6.131 -8.287 -10.172 1.00 61.13 H new ATOM 0 HD23 LEU A 67 5.936 -6.836 -9.160 1.00 61.13 H new ATOM 1114 N ASP A 68 6.569 -3.382 -13.074 1.00 51.04 N ATOM 1115 CA ASP A 68 7.240 -2.613 -14.137 1.00 71.32 C ATOM 1116 C ASP A 68 8.324 -1.673 -13.554 1.00 10.20 C ATOM 1117 O ASP A 68 9.427 -1.570 -14.105 1.00 63.33 O ATOM 1118 CB ASP A 68 6.188 -1.782 -14.927 1.00 64.30 C ATOM 1119 CG ASP A 68 6.792 -0.983 -16.108 1.00 41.14 C ATOM 1120 OD1 ASP A 68 6.764 -1.474 -17.253 1.00 15.03 O ATOM 1121 OD2 ASP A 68 7.295 0.135 -15.898 1.00 12.12 O ATOM 0 H ASP A 68 5.593 -3.118 -12.938 1.00 51.04 H new ATOM 0 HA ASP A 68 7.731 -3.317 -14.808 1.00 71.32 H new ATOM 0 HB2 ASP A 68 5.419 -2.453 -15.309 1.00 64.30 H new ATOM 0 HB3 ASP A 68 5.696 -1.089 -14.244 1.00 64.30 H new ATOM 1126 N SER A 69 7.998 -1.007 -12.425 1.00 4.12 N ATOM 1127 CA SER A 69 8.843 0.055 -11.844 1.00 33.24 C ATOM 1128 C SER A 69 9.895 -0.510 -10.856 1.00 1.22 C ATOM 1129 O SER A 69 10.846 0.193 -10.488 1.00 33.44 O ATOM 1130 CB SER A 69 7.940 1.135 -11.180 1.00 54.44 C ATOM 1131 OG SER A 69 8.678 2.291 -10.805 1.00 20.35 O ATOM 0 H SER A 69 7.146 -1.190 -11.894 1.00 4.12 H new ATOM 0 HA SER A 69 9.411 0.523 -12.648 1.00 33.24 H new ATOM 0 HB2 SER A 69 7.147 1.420 -11.872 1.00 54.44 H new ATOM 0 HB3 SER A 69 7.457 0.712 -10.299 1.00 54.44 H new ATOM 0 HG SER A 69 9.566 2.024 -10.488 1.00 20.35 H new ATOM 1137 N GLY A 70 9.724 -1.791 -10.458 1.00 54.23 N ATOM 1138 CA GLY A 70 10.642 -2.473 -9.529 1.00 64.02 C ATOM 1139 C GLY A 70 10.594 -1.938 -8.097 1.00 42.44 C ATOM 1140 O GLY A 70 11.549 -2.121 -7.334 1.00 53.14 O ATOM 0 H GLY A 70 8.949 -2.375 -10.772 1.00 54.23 H new ATOM 0 HA2 GLY A 70 10.404 -3.537 -9.516 1.00 64.02 H new ATOM 0 HA3 GLY A 70 11.660 -2.378 -9.907 1.00 64.02 H new ATOM 1144 N ALA A 71 9.472 -1.295 -7.729 1.00 71.41 N ATOM 1145 CA ALA A 71 9.306 -0.628 -6.416 1.00 1.34 C ATOM 1146 C ALA A 71 8.927 -1.638 -5.309 1.00 23.32 C ATOM 1147 O ALA A 71 8.533 -2.770 -5.611 1.00 65.43 O ATOM 1148 CB ALA A 71 8.246 0.487 -6.539 1.00 11.23 C ATOM 0 H ALA A 71 8.652 -1.220 -8.330 1.00 71.41 H new ATOM 0 HA ALA A 71 10.259 -0.185 -6.126 1.00 1.34 H new ATOM 0 HB1 ALA A 71 8.122 0.979 -5.574 1.00 11.23 H new ATOM 0 HB2 ALA A 71 8.571 1.217 -7.280 1.00 11.23 H new ATOM 0 HB3 ALA A 71 7.296 0.053 -6.850 1.00 11.23 H new ATOM 1154 N LYS A 72 9.061 -1.230 -4.027 1.00 31.04 N ATOM 1155 CA LYS A 72 8.583 -2.045 -2.876 1.00 2.15 C ATOM 1156 C LYS A 72 7.064 -1.861 -2.748 1.00 44.54 C ATOM 1157 O LYS A 72 6.602 -0.738 -2.654 1.00 24.34 O ATOM 1158 CB LYS A 72 9.282 -1.650 -1.528 1.00 30.55 C ATOM 1159 CG LYS A 72 10.757 -2.101 -1.366 1.00 13.02 C ATOM 1160 CD LYS A 72 11.750 -1.362 -2.294 1.00 60.31 C ATOM 1161 CE LYS A 72 11.869 0.135 -1.960 1.00 4.41 C ATOM 1162 NZ LYS A 72 12.842 0.831 -2.842 1.00 74.32 N ATOM 0 H LYS A 72 9.494 -0.346 -3.759 1.00 31.04 H new ATOM 0 HA LYS A 72 8.836 -3.088 -3.068 1.00 2.15 H new ATOM 0 HB2 LYS A 72 9.242 -0.566 -1.426 1.00 30.55 H new ATOM 0 HB3 LYS A 72 8.703 -2.070 -0.705 1.00 30.55 H new ATOM 0 HG2 LYS A 72 11.061 -1.947 -0.331 1.00 13.02 H new ATOM 0 HG3 LYS A 72 10.822 -3.171 -1.561 1.00 13.02 H new ATOM 0 HD2 LYS A 72 12.732 -1.828 -2.214 1.00 60.31 H new ATOM 0 HD3 LYS A 72 11.427 -1.475 -3.329 1.00 60.31 H new ATOM 0 HE2 LYS A 72 10.891 0.606 -2.058 1.00 4.41 H new ATOM 0 HE3 LYS A 72 12.176 0.250 -0.921 1.00 4.41 H new ATOM 0 HZ1 LYS A 72 13.185 1.692 -2.370 1.00 74.32 H new ATOM 0 HZ2 LYS A 72 13.645 0.200 -3.038 1.00 74.32 H new ATOM 0 HZ3 LYS A 72 12.378 1.089 -3.736 1.00 74.32 H new ATOM 1176 N VAL A 73 6.295 -2.959 -2.766 1.00 55.32 N ATOM 1177 CA VAL A 73 4.817 -2.906 -2.632 1.00 14.42 C ATOM 1178 C VAL A 73 4.349 -3.736 -1.427 1.00 61.13 C ATOM 1179 O VAL A 73 4.776 -4.879 -1.238 1.00 71.23 O ATOM 1180 CB VAL A 73 4.090 -3.373 -3.949 1.00 5.33 C ATOM 1181 CG1 VAL A 73 4.567 -4.767 -4.416 1.00 44.11 C ATOM 1182 CG2 VAL A 73 2.545 -3.307 -3.817 1.00 14.00 C ATOM 0 H VAL A 73 6.667 -3.903 -2.872 1.00 55.32 H new ATOM 0 HA VAL A 73 4.544 -1.865 -2.463 1.00 14.42 H new ATOM 0 HB VAL A 73 4.373 -2.665 -4.728 1.00 5.33 H new ATOM 0 HG11 VAL A 73 4.038 -5.046 -5.327 1.00 44.11 H new ATOM 0 HG12 VAL A 73 5.639 -4.738 -4.613 1.00 44.11 H new ATOM 0 HG13 VAL A 73 4.361 -5.502 -3.637 1.00 44.11 H new ATOM 0 HG21 VAL A 73 2.086 -3.638 -4.749 1.00 14.00 H new ATOM 0 HG22 VAL A 73 2.221 -3.955 -3.003 1.00 14.00 H new ATOM 0 HG23 VAL A 73 2.241 -2.281 -3.607 1.00 14.00 H new ATOM 1192 N LEU A 74 3.487 -3.123 -0.609 1.00 52.24 N ATOM 1193 CA LEU A 74 2.817 -3.782 0.513 1.00 54.41 C ATOM 1194 C LEU A 74 1.307 -3.728 0.277 1.00 51.32 C ATOM 1195 O LEU A 74 0.739 -2.649 0.123 1.00 21.23 O ATOM 1196 CB LEU A 74 3.190 -3.099 1.856 1.00 43.44 C ATOM 1197 CG LEU A 74 2.389 -3.564 3.117 1.00 23.31 C ATOM 1198 CD1 LEU A 74 2.451 -5.091 3.313 1.00 62.15 C ATOM 1199 CD2 LEU A 74 2.855 -2.806 4.383 1.00 64.44 C ATOM 0 H LEU A 74 3.233 -2.141 -0.711 1.00 52.24 H new ATOM 0 HA LEU A 74 3.142 -4.821 0.576 1.00 54.41 H new ATOM 0 HB2 LEU A 74 4.250 -3.268 2.043 1.00 43.44 H new ATOM 0 HB3 LEU A 74 3.054 -2.024 1.742 1.00 43.44 H new ATOM 0 HG LEU A 74 1.342 -3.314 2.946 1.00 23.31 H new ATOM 0 HD11 LEU A 74 1.881 -5.367 4.200 1.00 62.15 H new ATOM 0 HD12 LEU A 74 2.027 -5.587 2.440 1.00 62.15 H new ATOM 0 HD13 LEU A 74 3.489 -5.400 3.438 1.00 62.15 H new ATOM 0 HD21 LEU A 74 2.282 -3.149 5.244 1.00 64.44 H new ATOM 0 HD22 LEU A 74 3.914 -2.998 4.553 1.00 64.44 H new ATOM 0 HD23 LEU A 74 2.698 -1.736 4.245 1.00 64.44 H new ATOM 1211 N ILE A 75 0.676 -4.905 0.215 1.00 21.32 N ATOM 1212 CA ILE A 75 -0.778 -5.031 0.073 1.00 31.15 C ATOM 1213 C ILE A 75 -1.384 -5.341 1.445 1.00 2.04 C ATOM 1214 O ILE A 75 -1.090 -6.381 2.045 1.00 25.00 O ATOM 1215 CB ILE A 75 -1.155 -6.154 -0.964 1.00 31.21 C ATOM 1216 CG1 ILE A 75 -0.532 -5.845 -2.366 1.00 43.41 C ATOM 1217 CG2 ILE A 75 -2.688 -6.365 -1.068 1.00 63.21 C ATOM 1218 CD1 ILE A 75 -0.938 -4.507 -2.983 1.00 64.13 C ATOM 0 H ILE A 75 1.162 -5.801 0.262 1.00 21.32 H new ATOM 0 HA ILE A 75 -1.182 -4.092 -0.305 1.00 31.15 H new ATOM 0 HB ILE A 75 -0.732 -7.089 -0.597 1.00 31.21 H new ATOM 0 HG12 ILE A 75 0.554 -5.870 -2.276 1.00 43.41 H new ATOM 0 HG13 ILE A 75 -0.813 -6.643 -3.053 1.00 43.41 H new ATOM 0 HG21 ILE A 75 -2.899 -7.149 -1.795 1.00 63.21 H new ATOM 0 HG22 ILE A 75 -3.082 -6.657 -0.095 1.00 63.21 H new ATOM 0 HG23 ILE A 75 -3.162 -5.437 -1.387 1.00 63.21 H new ATOM 0 HD11 ILE A 75 -0.452 -4.391 -3.952 1.00 64.13 H new ATOM 0 HD12 ILE A 75 -2.020 -4.480 -3.114 1.00 64.13 H new ATOM 0 HD13 ILE A 75 -0.632 -3.695 -2.324 1.00 64.13 H new ATOM 1230 N LEU A 76 -2.186 -4.401 1.949 1.00 61.13 N ATOM 1231 CA LEU A 76 -2.936 -4.554 3.195 1.00 24.25 C ATOM 1232 C LEU A 76 -4.423 -4.700 2.846 1.00 34.11 C ATOM 1233 O LEU A 76 -5.005 -3.812 2.211 1.00 11.42 O ATOM 1234 CB LEU A 76 -2.674 -3.334 4.127 1.00 61.02 C ATOM 1235 CG LEU A 76 -1.191 -3.149 4.591 1.00 64.20 C ATOM 1236 CD1 LEU A 76 -1.003 -1.872 5.437 1.00 15.04 C ATOM 1237 CD2 LEU A 76 -0.692 -4.394 5.354 1.00 51.24 C ATOM 0 H LEU A 76 -2.334 -3.499 1.496 1.00 61.13 H new ATOM 0 HA LEU A 76 -2.613 -5.444 3.735 1.00 24.25 H new ATOM 0 HB2 LEU A 76 -2.990 -2.428 3.609 1.00 61.02 H new ATOM 0 HB3 LEU A 76 -3.304 -3.432 5.011 1.00 61.02 H new ATOM 0 HG LEU A 76 -0.586 -3.031 3.692 1.00 64.20 H new ATOM 0 HD11 LEU A 76 0.041 -1.785 5.737 1.00 15.04 H new ATOM 0 HD12 LEU A 76 -1.285 -1.000 4.847 1.00 15.04 H new ATOM 0 HD13 LEU A 76 -1.632 -1.928 6.325 1.00 15.04 H new ATOM 0 HD21 LEU A 76 0.341 -4.240 5.666 1.00 51.24 H new ATOM 0 HD22 LEU A 76 -1.316 -4.556 6.233 1.00 51.24 H new ATOM 0 HD23 LEU A 76 -0.748 -5.266 4.703 1.00 51.24 H new ATOM 1249 N SER A 77 -5.023 -5.833 3.235 1.00 13.52 N ATOM 1250 CA SER A 77 -6.427 -6.152 2.926 1.00 31.21 C ATOM 1251 C SER A 77 -7.073 -6.793 4.155 1.00 72.33 C ATOM 1252 O SER A 77 -6.434 -7.591 4.843 1.00 32.40 O ATOM 1253 CB SER A 77 -6.511 -7.118 1.716 1.00 42.43 C ATOM 1254 OG SER A 77 -5.833 -6.598 0.583 1.00 1.23 O ATOM 0 H SER A 77 -4.549 -6.557 3.774 1.00 13.52 H new ATOM 0 HA SER A 77 -6.957 -5.235 2.667 1.00 31.21 H new ATOM 0 HB2 SER A 77 -6.079 -8.081 1.988 1.00 42.43 H new ATOM 0 HB3 SER A 77 -7.556 -7.297 1.465 1.00 42.43 H new ATOM 0 HG SER A 77 -6.259 -5.761 0.302 1.00 1.23 H new ATOM 1260 N SER A 78 -8.342 -6.452 4.409 1.00 64.22 N ATOM 1261 CA SER A 78 -9.108 -6.978 5.551 1.00 71.51 C ATOM 1262 C SER A 78 -9.364 -8.493 5.395 1.00 24.22 C ATOM 1263 O SER A 78 -9.516 -9.216 6.389 1.00 10.22 O ATOM 1264 CB SER A 78 -10.433 -6.200 5.676 1.00 24.31 C ATOM 1265 OG SER A 78 -10.190 -4.803 5.808 1.00 34.44 O ATOM 0 H SER A 78 -8.870 -5.801 3.828 1.00 64.22 H new ATOM 0 HA SER A 78 -8.528 -6.841 6.464 1.00 71.51 H new ATOM 0 HB2 SER A 78 -11.052 -6.384 4.798 1.00 24.31 H new ATOM 0 HB3 SER A 78 -10.991 -6.560 6.541 1.00 24.31 H new ATOM 0 HG SER A 78 -11.044 -4.328 5.884 1.00 34.44 H new ATOM 1271 N ASP A 79 -9.395 -8.953 4.131 1.00 60.45 N ATOM 1272 CA ASP A 79 -9.551 -10.375 3.789 1.00 73.35 C ATOM 1273 C ASP A 79 -8.171 -11.023 3.537 1.00 50.33 C ATOM 1274 O ASP A 79 -7.420 -10.632 2.620 1.00 40.21 O ATOM 1275 CB ASP A 79 -10.470 -10.538 2.554 1.00 41.54 C ATOM 1276 CG ASP A 79 -10.679 -12.005 2.127 1.00 64.12 C ATOM 1277 OD1 ASP A 79 -11.057 -12.835 2.967 1.00 35.51 O ATOM 1278 OD2 ASP A 79 -10.472 -12.333 0.949 1.00 41.25 O ATOM 0 H ASP A 79 -9.312 -8.345 3.316 1.00 60.45 H new ATOM 0 HA ASP A 79 -10.019 -10.886 4.630 1.00 73.35 H new ATOM 0 HB2 ASP A 79 -11.440 -10.091 2.772 1.00 41.54 H new ATOM 0 HB3 ASP A 79 -10.043 -9.983 1.719 1.00 41.54 H new ATOM 1283 N GLU A 80 -7.860 -12.036 4.355 1.00 33.22 N ATOM 1284 CA GLU A 80 -6.592 -12.776 4.278 1.00 54.31 C ATOM 1285 C GLU A 80 -6.576 -13.741 3.079 1.00 31.52 C ATOM 1286 O GLU A 80 -5.516 -14.229 2.701 1.00 4.11 O ATOM 1287 CB GLU A 80 -6.332 -13.530 5.606 1.00 54.25 C ATOM 1288 CG GLU A 80 -7.350 -14.644 5.923 1.00 2.32 C ATOM 1289 CD GLU A 80 -7.208 -15.204 7.341 1.00 12.34 C ATOM 1290 OE1 GLU A 80 -7.762 -14.598 8.281 1.00 23.23 O ATOM 1291 OE2 GLU A 80 -6.544 -16.243 7.529 1.00 44.44 O ATOM 0 H GLU A 80 -8.482 -12.368 5.092 1.00 33.22 H new ATOM 0 HA GLU A 80 -5.787 -12.058 4.124 1.00 54.31 H new ATOM 0 HB2 GLU A 80 -5.334 -13.967 5.571 1.00 54.25 H new ATOM 0 HB3 GLU A 80 -6.335 -12.810 6.424 1.00 54.25 H new ATOM 0 HG2 GLU A 80 -8.359 -14.253 5.793 1.00 2.32 H new ATOM 0 HG3 GLU A 80 -7.227 -15.455 5.205 1.00 2.32 H new ATOM 1298 N ASN A 81 -7.755 -13.999 2.476 1.00 31.34 N ATOM 1299 CA ASN A 81 -7.862 -14.843 1.271 1.00 71.31 C ATOM 1300 C ASN A 81 -7.486 -14.023 0.018 1.00 12.53 C ATOM 1301 O ASN A 81 -6.991 -14.586 -0.963 1.00 51.41 O ATOM 1302 CB ASN A 81 -9.279 -15.459 1.151 1.00 21.35 C ATOM 1303 CG ASN A 81 -9.616 -16.371 2.334 1.00 41.45 C ATOM 1304 OD1 ASN A 81 -9.337 -17.573 2.314 1.00 22.13 O ATOM 1305 ND2 ASN A 81 -10.222 -15.807 3.367 1.00 12.12 N ATOM 0 H ASN A 81 -8.648 -13.633 2.806 1.00 31.34 H new ATOM 0 HA ASN A 81 -7.159 -15.672 1.356 1.00 71.31 H new ATOM 0 HB2 ASN A 81 -10.017 -14.659 1.090 1.00 21.35 H new ATOM 0 HB3 ASN A 81 -9.348 -16.029 0.224 1.00 21.35 H new ATOM 0 HD21 ASN A 81 -10.473 -16.369 4.180 1.00 12.12 H new ATOM 0 HD22 ASN A 81 -10.438 -14.810 3.350 1.00 12.12 H new ATOM 1312 N ILE A 82 -7.699 -12.680 0.080 1.00 3.11 N ATOM 1313 CA ILE A 82 -7.116 -11.742 -0.898 1.00 52.24 C ATOM 1314 C ILE A 82 -5.598 -11.839 -0.775 1.00 23.12 C ATOM 1315 O ILE A 82 -4.918 -12.146 -1.743 1.00 1.30 O ATOM 1316 CB ILE A 82 -7.532 -10.234 -0.673 1.00 75.11 C ATOM 1317 CG1 ILE A 82 -9.037 -9.990 -0.963 1.00 72.25 C ATOM 1318 CG2 ILE A 82 -6.655 -9.271 -1.524 1.00 12.33 C ATOM 1319 CD1 ILE A 82 -9.485 -8.576 -0.647 1.00 31.31 C ATOM 0 H ILE A 82 -8.269 -12.232 0.797 1.00 3.11 H new ATOM 0 HA ILE A 82 -7.490 -12.025 -1.882 1.00 52.24 H new ATOM 0 HB ILE A 82 -7.360 -10.020 0.382 1.00 75.11 H new ATOM 0 HG12 ILE A 82 -9.237 -10.201 -2.014 1.00 72.25 H new ATOM 0 HG13 ILE A 82 -9.631 -10.692 -0.378 1.00 72.25 H new ATOM 0 HG21 ILE A 82 -6.967 -8.242 -1.346 1.00 12.33 H new ATOM 0 HG22 ILE A 82 -5.609 -9.387 -1.242 1.00 12.33 H new ATOM 0 HG23 ILE A 82 -6.774 -9.509 -2.581 1.00 12.33 H new ATOM 0 HD11 ILE A 82 -10.546 -8.472 -0.872 1.00 31.31 H new ATOM 0 HD12 ILE A 82 -9.316 -8.368 0.410 1.00 31.31 H new ATOM 0 HD13 ILE A 82 -8.915 -7.870 -1.251 1.00 31.31 H new ATOM 1331 N ILE A 83 -5.112 -11.639 0.468 1.00 3.11 N ATOM 1332 CA ILE A 83 -3.677 -11.679 0.792 1.00 4.43 C ATOM 1333 C ILE A 83 -3.003 -12.970 0.247 1.00 33.22 C ATOM 1334 O ILE A 83 -1.986 -12.895 -0.449 1.00 63.44 O ATOM 1335 CB ILE A 83 -3.492 -11.544 2.348 1.00 13.34 C ATOM 1336 CG1 ILE A 83 -4.002 -10.149 2.846 1.00 2.13 C ATOM 1337 CG2 ILE A 83 -2.049 -11.802 2.803 1.00 63.21 C ATOM 1338 CD1 ILE A 83 -3.302 -8.936 2.233 1.00 34.04 C ATOM 0 H ILE A 83 -5.707 -11.445 1.274 1.00 3.11 H new ATOM 0 HA ILE A 83 -3.181 -10.841 0.303 1.00 4.43 H new ATOM 0 HB ILE A 83 -4.100 -12.323 2.807 1.00 13.34 H new ATOM 0 HG12 ILE A 83 -5.069 -10.076 2.636 1.00 2.13 H new ATOM 0 HG13 ILE A 83 -3.886 -10.105 3.929 1.00 2.13 H new ATOM 0 HG21 ILE A 83 -1.984 -11.694 3.886 1.00 63.21 H new ATOM 0 HG22 ILE A 83 -1.754 -12.812 2.520 1.00 63.21 H new ATOM 0 HG23 ILE A 83 -1.383 -11.083 2.326 1.00 63.21 H new ATOM 0 HD11 ILE A 83 -3.730 -8.022 2.645 1.00 34.04 H new ATOM 0 HD12 ILE A 83 -2.238 -8.975 2.465 1.00 34.04 H new ATOM 0 HD13 ILE A 83 -3.439 -8.945 1.152 1.00 34.04 H new ATOM 1350 N GLU A 84 -3.653 -14.124 0.490 1.00 24.44 N ATOM 1351 CA GLU A 84 -3.139 -15.446 0.080 1.00 70.43 C ATOM 1352 C GLU A 84 -3.137 -15.617 -1.463 1.00 11.42 C ATOM 1353 O GLU A 84 -2.193 -16.189 -2.028 1.00 33.33 O ATOM 1354 CB GLU A 84 -3.977 -16.565 0.751 1.00 14.34 C ATOM 1355 CG GLU A 84 -3.433 -18.009 0.586 1.00 71.10 C ATOM 1356 CD GLU A 84 -2.144 -18.306 1.390 1.00 74.55 C ATOM 1357 OE1 GLU A 84 -2.233 -18.880 2.497 1.00 23.35 O ATOM 1358 OE2 GLU A 84 -1.039 -17.980 0.917 1.00 42.52 O ATOM 0 H GLU A 84 -4.549 -14.167 0.976 1.00 24.44 H new ATOM 0 HA GLU A 84 -2.103 -15.520 0.411 1.00 70.43 H new ATOM 0 HB2 GLU A 84 -4.054 -16.346 1.816 1.00 14.34 H new ATOM 0 HB3 GLU A 84 -4.988 -16.529 0.344 1.00 14.34 H new ATOM 0 HG2 GLU A 84 -4.207 -18.712 0.892 1.00 71.10 H new ATOM 0 HG3 GLU A 84 -3.237 -18.191 -0.471 1.00 71.10 H new ATOM 1365 N SER A 85 -4.195 -15.109 -2.145 1.00 31.12 N ATOM 1366 CA SER A 85 -4.303 -15.199 -3.619 1.00 23.41 C ATOM 1367 C SER A 85 -3.286 -14.266 -4.314 1.00 61.12 C ATOM 1368 O SER A 85 -2.751 -14.596 -5.376 1.00 21.33 O ATOM 1369 CB SER A 85 -5.747 -14.899 -4.090 1.00 23.50 C ATOM 1370 OG SER A 85 -6.181 -13.620 -3.687 1.00 62.41 O ATOM 0 H SER A 85 -4.980 -14.636 -1.698 1.00 31.12 H new ATOM 0 HA SER A 85 -4.063 -16.222 -3.907 1.00 23.41 H new ATOM 0 HB2 SER A 85 -5.796 -14.972 -5.176 1.00 23.50 H new ATOM 0 HB3 SER A 85 -6.423 -15.654 -3.689 1.00 23.50 H new ATOM 0 HG SER A 85 -5.561 -13.260 -3.019 1.00 62.41 H new ATOM 1376 N ILE A 86 -3.006 -13.116 -3.684 1.00 32.14 N ATOM 1377 CA ILE A 86 -1.986 -12.159 -4.158 1.00 40.42 C ATOM 1378 C ILE A 86 -0.570 -12.763 -3.999 1.00 2.40 C ATOM 1379 O ILE A 86 0.309 -12.532 -4.826 1.00 64.42 O ATOM 1380 CB ILE A 86 -2.125 -10.784 -3.386 1.00 62.13 C ATOM 1381 CG1 ILE A 86 -3.504 -10.111 -3.697 1.00 10.54 C ATOM 1382 CG2 ILE A 86 -0.970 -9.810 -3.693 1.00 23.45 C ATOM 1383 CD1 ILE A 86 -3.763 -9.796 -5.165 1.00 1.11 C ATOM 0 H ILE A 86 -3.479 -12.820 -2.830 1.00 32.14 H new ATOM 0 HA ILE A 86 -2.145 -11.962 -5.218 1.00 40.42 H new ATOM 0 HB ILE A 86 -2.072 -11.016 -2.322 1.00 62.13 H new ATOM 0 HG12 ILE A 86 -4.298 -10.766 -3.338 1.00 10.54 H new ATOM 0 HG13 ILE A 86 -3.574 -9.185 -3.127 1.00 10.54 H new ATOM 0 HG21 ILE A 86 -1.117 -8.884 -3.137 1.00 23.45 H new ATOM 0 HG22 ILE A 86 -0.024 -10.264 -3.399 1.00 23.45 H new ATOM 0 HG23 ILE A 86 -0.952 -9.593 -4.761 1.00 23.45 H new ATOM 0 HD11 ILE A 86 -4.744 -9.333 -5.270 1.00 1.11 H new ATOM 0 HD12 ILE A 86 -2.998 -9.112 -5.531 1.00 1.11 H new ATOM 0 HD13 ILE A 86 -3.733 -10.718 -5.746 1.00 1.11 H new ATOM 1395 N ARG A 87 -0.396 -13.574 -2.947 1.00 40.21 N ATOM 1396 CA ARG A 87 0.860 -14.300 -2.673 1.00 0.54 C ATOM 1397 C ARG A 87 1.120 -15.426 -3.704 1.00 40.03 C ATOM 1398 O ARG A 87 2.263 -15.606 -4.137 1.00 20.25 O ATOM 1399 CB ARG A 87 0.820 -14.876 -1.229 1.00 1.54 C ATOM 1400 CG ARG A 87 1.157 -13.851 -0.120 1.00 63.41 C ATOM 1401 CD ARG A 87 0.535 -14.217 1.244 1.00 75.32 C ATOM 1402 NE ARG A 87 0.697 -15.635 1.605 1.00 1.24 N ATOM 1403 CZ ARG A 87 1.516 -16.111 2.549 1.00 14.24 C ATOM 1404 NH1 ARG A 87 2.287 -15.291 3.267 1.00 51.11 N ATOM 1405 NH2 ARG A 87 1.519 -17.411 2.794 1.00 33.23 N ATOM 0 H ARG A 87 -1.125 -13.749 -2.255 1.00 40.21 H new ATOM 0 HA ARG A 87 1.686 -13.594 -2.763 1.00 0.54 H new ATOM 0 HB2 ARG A 87 -0.174 -15.282 -1.041 1.00 1.54 H new ATOM 0 HB3 ARG A 87 1.522 -15.707 -1.163 1.00 1.54 H new ATOM 0 HG2 ARG A 87 2.240 -13.781 -0.013 1.00 63.41 H new ATOM 0 HG3 ARG A 87 0.803 -12.866 -0.423 1.00 63.41 H new ATOM 0 HD2 ARG A 87 0.990 -13.599 2.019 1.00 75.32 H new ATOM 0 HD3 ARG A 87 -0.528 -13.975 1.226 1.00 75.32 H new ATOM 0 HE ARG A 87 0.136 -16.314 1.090 1.00 1.24 H new ATOM 0 HH11 ARG A 87 2.257 -14.285 3.099 1.00 51.11 H new ATOM 0 HH12 ARG A 87 2.906 -15.670 3.983 1.00 51.11 H new ATOM 0 HH21 ARG A 87 0.904 -18.031 2.267 1.00 33.23 H new ATOM 0 HH22 ARG A 87 2.136 -17.794 3.510 1.00 33.23 H new ATOM 1419 N LYS A 88 0.065 -16.187 -4.092 1.00 65.51 N ATOM 1420 CA LYS A 88 0.226 -17.329 -5.031 1.00 20.51 C ATOM 1421 C LYS A 88 0.464 -16.829 -6.470 1.00 12.25 C ATOM 1422 O LYS A 88 1.241 -17.435 -7.222 1.00 21.12 O ATOM 1423 CB LYS A 88 -0.988 -18.311 -4.979 1.00 21.12 C ATOM 1424 CG LYS A 88 -2.304 -17.773 -5.568 1.00 54.04 C ATOM 1425 CD LYS A 88 -3.494 -18.747 -5.397 1.00 13.22 C ATOM 1426 CE LYS A 88 -4.782 -18.216 -6.058 1.00 73.53 C ATOM 1427 NZ LYS A 88 -5.959 -19.076 -5.756 1.00 33.44 N ATOM 0 H LYS A 88 -0.893 -16.035 -3.775 1.00 65.51 H new ATOM 0 HA LYS A 88 1.105 -17.887 -4.708 1.00 20.51 H new ATOM 0 HB2 LYS A 88 -0.718 -19.223 -5.512 1.00 21.12 H new ATOM 0 HB3 LYS A 88 -1.163 -18.589 -3.940 1.00 21.12 H new ATOM 0 HG2 LYS A 88 -2.548 -16.825 -5.089 1.00 54.04 H new ATOM 0 HG3 LYS A 88 -2.162 -17.567 -6.629 1.00 54.04 H new ATOM 0 HD2 LYS A 88 -3.236 -19.713 -5.832 1.00 13.22 H new ATOM 0 HD3 LYS A 88 -3.675 -18.914 -4.335 1.00 13.22 H new ATOM 0 HE2 LYS A 88 -4.976 -17.201 -5.711 1.00 73.53 H new ATOM 0 HE3 LYS A 88 -4.640 -18.162 -7.137 1.00 73.53 H new ATOM 0 HZ1 LYS A 88 -6.804 -18.684 -6.219 1.00 33.44 H new ATOM 0 HZ2 LYS A 88 -5.786 -20.038 -6.110 1.00 33.44 H new ATOM 0 HZ3 LYS A 88 -6.111 -19.107 -4.728 1.00 33.44 H new ATOM 1441 N GLN A 89 -0.212 -15.722 -6.841 1.00 30.41 N ATOM 1442 CA GLN A 89 -0.061 -15.098 -8.168 1.00 63.40 C ATOM 1443 C GLN A 89 1.299 -14.391 -8.275 1.00 11.31 C ATOM 1444 O GLN A 89 2.036 -14.582 -9.247 1.00 41.40 O ATOM 1445 CB GLN A 89 -1.220 -14.096 -8.429 1.00 61.13 C ATOM 1446 CG GLN A 89 -2.621 -14.742 -8.492 1.00 1.24 C ATOM 1447 CD GLN A 89 -3.781 -13.737 -8.551 1.00 74.54 C ATOM 1448 OE1 GLN A 89 -4.815 -13.998 -9.168 1.00 73.23 O ATOM 1449 NE2 GLN A 89 -3.646 -12.610 -7.864 1.00 43.01 N ATOM 0 H GLN A 89 -0.873 -15.240 -6.232 1.00 30.41 H new ATOM 0 HA GLN A 89 -0.103 -15.879 -8.927 1.00 63.40 H new ATOM 0 HB2 GLN A 89 -1.216 -13.342 -7.642 1.00 61.13 H new ATOM 0 HB3 GLN A 89 -1.030 -13.577 -9.368 1.00 61.13 H new ATOM 0 HG2 GLN A 89 -2.671 -15.388 -9.369 1.00 1.24 H new ATOM 0 HG3 GLN A 89 -2.753 -15.380 -7.618 1.00 1.24 H new ATOM 0 HE21 GLN A 89 -2.779 -12.419 -7.362 1.00 43.01 H new ATOM 0 HE22 GLN A 89 -4.410 -11.934 -7.838 1.00 43.01 H new ATOM 1458 N TYR A 90 1.622 -13.589 -7.250 1.00 44.32 N ATOM 1459 CA TYR A 90 2.847 -12.777 -7.199 1.00 2.22 C ATOM 1460 C TYR A 90 3.720 -13.286 -6.031 1.00 33.31 C ATOM 1461 O TYR A 90 3.426 -12.992 -4.874 1.00 34.43 O ATOM 1462 CB TYR A 90 2.471 -11.279 -7.014 1.00 44.13 C ATOM 1463 CG TYR A 90 1.415 -10.777 -8.019 1.00 4.01 C ATOM 1464 CD1 TYR A 90 1.765 -10.466 -9.332 1.00 44.33 C ATOM 1465 CD2 TYR A 90 0.061 -10.652 -7.661 1.00 64.13 C ATOM 1466 CE1 TYR A 90 0.819 -10.033 -10.246 1.00 60.04 C ATOM 1467 CE2 TYR A 90 -0.886 -10.218 -8.575 1.00 72.15 C ATOM 1468 CZ TYR A 90 -0.502 -9.920 -9.867 1.00 42.51 C ATOM 1469 OH TYR A 90 -1.445 -9.490 -10.785 1.00 41.15 O ATOM 0 H TYR A 90 1.033 -13.485 -6.424 1.00 44.32 H new ATOM 0 HA TYR A 90 3.410 -12.867 -8.128 1.00 2.22 H new ATOM 0 HB2 TYR A 90 2.096 -11.130 -6.001 1.00 44.13 H new ATOM 0 HB3 TYR A 90 3.371 -10.673 -7.113 1.00 44.13 H new ATOM 0 HD1 TYR A 90 2.795 -10.565 -9.643 1.00 44.33 H new ATOM 0 HD2 TYR A 90 -0.247 -10.899 -6.656 1.00 64.13 H new ATOM 0 HE1 TYR A 90 1.115 -9.784 -11.254 1.00 60.04 H new ATOM 0 HE2 TYR A 90 -1.919 -10.113 -8.278 1.00 72.15 H new ATOM 0 HH TYR A 90 -2.328 -9.466 -10.360 1.00 41.15 H new ATOM 1479 N PRO A 91 4.783 -14.102 -6.307 1.00 62.21 N ATOM 1480 CA PRO A 91 5.598 -14.739 -5.236 1.00 52.42 C ATOM 1481 C PRO A 91 6.386 -13.733 -4.364 1.00 3.52 C ATOM 1482 O PRO A 91 6.574 -13.960 -3.167 1.00 15.23 O ATOM 1483 CB PRO A 91 6.551 -15.672 -6.032 1.00 44.21 C ATOM 1484 CG PRO A 91 6.629 -15.071 -7.405 1.00 73.32 C ATOM 1485 CD PRO A 91 5.260 -14.491 -7.669 1.00 71.54 C ATOM 0 HA PRO A 91 4.972 -15.258 -4.510 1.00 52.42 H new ATOM 0 HB2 PRO A 91 7.535 -15.720 -5.566 1.00 44.21 H new ATOM 0 HB3 PRO A 91 6.165 -16.691 -6.069 1.00 44.21 H new ATOM 0 HG2 PRO A 91 7.398 -14.300 -7.453 1.00 73.32 H new ATOM 0 HG3 PRO A 91 6.886 -15.825 -8.149 1.00 73.32 H new ATOM 0 HD2 PRO A 91 5.309 -13.632 -8.338 1.00 71.54 H new ATOM 0 HD3 PRO A 91 4.597 -15.220 -8.134 1.00 71.54 H new ATOM 1493 N LYS A 92 6.823 -12.618 -4.966 1.00 33.23 N ATOM 1494 CA LYS A 92 7.783 -11.679 -4.340 1.00 52.21 C ATOM 1495 C LYS A 92 7.109 -10.404 -3.789 1.00 11.43 C ATOM 1496 O LYS A 92 7.807 -9.484 -3.347 1.00 73.23 O ATOM 1497 CB LYS A 92 8.883 -11.332 -5.379 1.00 25.43 C ATOM 1498 CG LYS A 92 9.757 -12.552 -5.778 1.00 10.24 C ATOM 1499 CD LYS A 92 10.667 -12.302 -7.001 1.00 11.13 C ATOM 1500 CE LYS A 92 9.867 -12.133 -8.304 1.00 21.14 C ATOM 1501 NZ LYS A 92 10.757 -12.057 -9.497 1.00 24.11 N ATOM 0 H LYS A 92 6.525 -12.336 -5.900 1.00 33.23 H new ATOM 0 HA LYS A 92 8.226 -12.169 -3.473 1.00 52.21 H new ATOM 0 HB2 LYS A 92 8.413 -10.923 -6.273 1.00 25.43 H new ATOM 0 HB3 LYS A 92 9.525 -10.551 -4.971 1.00 25.43 H new ATOM 0 HG2 LYS A 92 10.378 -12.834 -4.928 1.00 10.24 H new ATOM 0 HG3 LYS A 92 9.105 -13.399 -5.991 1.00 10.24 H new ATOM 0 HD2 LYS A 92 11.266 -11.408 -6.828 1.00 11.13 H new ATOM 0 HD3 LYS A 92 11.361 -13.135 -7.110 1.00 11.13 H new ATOM 0 HE2 LYS A 92 9.178 -12.970 -8.418 1.00 21.14 H new ATOM 0 HE3 LYS A 92 9.262 -11.228 -8.244 1.00 21.14 H new ATOM 0 HZ1 LYS A 92 10.179 -11.943 -10.354 1.00 24.11 H new ATOM 0 HZ2 LYS A 92 11.398 -11.244 -9.401 1.00 24.11 H new ATOM 0 HZ3 LYS A 92 11.316 -12.931 -9.569 1.00 24.11 H new ATOM 1515 N VAL A 93 5.766 -10.354 -3.806 1.00 13.21 N ATOM 1516 CA VAL A 93 5.001 -9.227 -3.222 1.00 71.34 C ATOM 1517 C VAL A 93 4.973 -9.350 -1.690 1.00 42.34 C ATOM 1518 O VAL A 93 4.967 -10.468 -1.140 1.00 62.22 O ATOM 1519 CB VAL A 93 3.529 -9.181 -3.797 1.00 71.51 C ATOM 1520 CG1 VAL A 93 2.692 -10.393 -3.333 1.00 22.33 C ATOM 1521 CG2 VAL A 93 2.810 -7.851 -3.461 1.00 71.41 C ATOM 0 H VAL A 93 5.182 -11.081 -4.218 1.00 13.21 H new ATOM 0 HA VAL A 93 5.498 -8.296 -3.496 1.00 71.34 H new ATOM 0 HB VAL A 93 3.622 -9.236 -4.882 1.00 71.51 H new ATOM 0 HG11 VAL A 93 1.687 -10.323 -3.750 1.00 22.33 H new ATOM 0 HG12 VAL A 93 3.164 -11.314 -3.676 1.00 22.33 H new ATOM 0 HG13 VAL A 93 2.633 -10.399 -2.245 1.00 22.33 H new ATOM 0 HG21 VAL A 93 1.803 -7.867 -3.877 1.00 71.41 H new ATOM 0 HG22 VAL A 93 2.754 -7.731 -2.379 1.00 71.41 H new ATOM 0 HG23 VAL A 93 3.367 -7.018 -3.890 1.00 71.41 H new ATOM 1531 N GLU A 94 5.000 -8.202 -1.005 1.00 34.41 N ATOM 1532 CA GLU A 94 4.813 -8.148 0.436 1.00 31.54 C ATOM 1533 C GLU A 94 3.333 -7.911 0.727 1.00 50.22 C ATOM 1534 O GLU A 94 2.708 -7.049 0.108 1.00 21.23 O ATOM 1535 CB GLU A 94 5.684 -7.037 1.036 1.00 12.20 C ATOM 1536 CG GLU A 94 5.593 -6.911 2.558 1.00 55.45 C ATOM 1537 CD GLU A 94 6.023 -8.180 3.304 1.00 5.25 C ATOM 1538 OE1 GLU A 94 7.239 -8.395 3.459 1.00 53.23 O ATOM 1539 OE2 GLU A 94 5.151 -8.963 3.730 1.00 63.43 O ATOM 0 H GLU A 94 5.152 -7.291 -1.438 1.00 34.41 H new ATOM 0 HA GLU A 94 5.118 -9.089 0.893 1.00 31.54 H new ATOM 0 HB2 GLU A 94 6.723 -7.219 0.761 1.00 12.20 H new ATOM 0 HB3 GLU A 94 5.397 -6.086 0.588 1.00 12.20 H new ATOM 0 HG2 GLU A 94 6.217 -6.079 2.884 1.00 55.45 H new ATOM 0 HG3 GLU A 94 4.567 -6.667 2.834 1.00 55.45 H new ATOM 1546 N THR A 95 2.779 -8.695 1.655 1.00 4.54 N ATOM 1547 CA THR A 95 1.349 -8.672 1.983 1.00 31.31 C ATOM 1548 C THR A 95 1.164 -8.910 3.491 1.00 32.44 C ATOM 1549 O THR A 95 2.002 -9.561 4.130 1.00 13.51 O ATOM 1550 CB THR A 95 0.562 -9.787 1.206 1.00 22.52 C ATOM 1551 OG1 THR A 95 1.135 -11.072 1.475 1.00 12.34 O ATOM 1552 CG2 THR A 95 0.521 -9.578 -0.317 1.00 20.31 C ATOM 0 H THR A 95 3.313 -9.369 2.204 1.00 4.54 H new ATOM 0 HA THR A 95 0.958 -7.697 1.693 1.00 31.31 H new ATOM 0 HB THR A 95 -0.465 -9.727 1.567 1.00 22.52 H new ATOM 0 HG1 THR A 95 1.832 -11.264 0.814 1.00 12.34 H new ATOM 0 HG21 THR A 95 -0.040 -10.389 -0.781 1.00 20.31 H new ATOM 0 HG22 THR A 95 0.037 -8.628 -0.541 1.00 20.31 H new ATOM 0 HG23 THR A 95 1.537 -9.569 -0.710 1.00 20.31 H new ATOM 1560 N ARG A 96 0.065 -8.385 4.037 1.00 1.55 N ATOM 1561 CA ARG A 96 -0.356 -8.644 5.423 1.00 64.32 C ATOM 1562 C ARG A 96 -1.841 -8.309 5.550 1.00 2.34 C ATOM 1563 O ARG A 96 -2.300 -7.312 4.978 1.00 11.54 O ATOM 1564 CB ARG A 96 0.478 -7.800 6.428 1.00 2.15 C ATOM 1565 CG ARG A 96 0.190 -8.089 7.923 1.00 2.22 C ATOM 1566 CD ARG A 96 0.998 -7.179 8.861 1.00 52.22 C ATOM 1567 NE ARG A 96 0.850 -7.551 10.280 1.00 14.05 N ATOM 1568 CZ ARG A 96 1.144 -6.754 11.321 1.00 31.12 C ATOM 1569 NH1 ARG A 96 1.614 -5.521 11.137 1.00 74.32 N ATOM 1570 NH2 ARG A 96 1.014 -7.222 12.549 1.00 60.13 N ATOM 0 H ARG A 96 -0.565 -7.763 3.530 1.00 1.55 H new ATOM 0 HA ARG A 96 -0.188 -9.694 5.661 1.00 64.32 H new ATOM 0 HB2 ARG A 96 1.536 -7.976 6.237 1.00 2.15 H new ATOM 0 HB3 ARG A 96 0.291 -6.744 6.235 1.00 2.15 H new ATOM 0 HG2 ARG A 96 -0.874 -7.954 8.118 1.00 2.22 H new ATOM 0 HG3 ARG A 96 0.425 -9.131 8.141 1.00 2.22 H new ATOM 0 HD2 ARG A 96 2.052 -7.224 8.586 1.00 52.22 H new ATOM 0 HD3 ARG A 96 0.677 -6.146 8.725 1.00 52.22 H new ATOM 0 HE ARG A 96 0.497 -8.485 10.487 1.00 14.05 H new ATOM 0 HH11 ARG A 96 1.757 -5.166 10.192 1.00 74.32 H new ATOM 0 HH12 ARG A 96 1.831 -4.933 11.941 1.00 74.32 H new ATOM 0 HH21 ARG A 96 0.694 -8.179 12.699 1.00 60.13 H new ATOM 0 HH22 ARG A 96 1.234 -6.627 13.348 1.00 60.13 H new ATOM 1584 N ARG A 97 -2.604 -9.143 6.281 1.00 65.03 N ATOM 1585 CA ARG A 97 -4.008 -8.832 6.582 1.00 44.25 C ATOM 1586 C ARG A 97 -4.047 -7.630 7.550 1.00 43.33 C ATOM 1587 O ARG A 97 -3.340 -7.625 8.567 1.00 64.50 O ATOM 1588 CB ARG A 97 -4.751 -10.052 7.195 1.00 43.55 C ATOM 1589 CG ARG A 97 -6.287 -9.871 7.307 1.00 21.40 C ATOM 1590 CD ARG A 97 -6.957 -10.896 8.241 1.00 14.41 C ATOM 1591 NE ARG A 97 -6.633 -10.633 9.652 1.00 60.15 N ATOM 1592 CZ ARG A 97 -6.703 -11.525 10.655 1.00 70.23 C ATOM 1593 NH1 ARG A 97 -7.088 -12.781 10.440 1.00 14.25 N ATOM 1594 NH2 ARG A 97 -6.409 -11.133 11.887 1.00 31.34 N ATOM 0 H ARG A 97 -2.274 -10.027 6.669 1.00 65.03 H new ATOM 0 HA ARG A 97 -4.522 -8.584 5.654 1.00 44.25 H new ATOM 0 HB2 ARG A 97 -4.544 -10.932 6.587 1.00 43.55 H new ATOM 0 HB3 ARG A 97 -4.346 -10.248 8.188 1.00 43.55 H new ATOM 0 HG2 ARG A 97 -6.501 -8.866 7.669 1.00 21.40 H new ATOM 0 HG3 ARG A 97 -6.728 -9.953 6.314 1.00 21.40 H new ATOM 0 HD2 ARG A 97 -8.038 -10.864 8.103 1.00 14.41 H new ATOM 0 HD3 ARG A 97 -6.631 -11.901 7.973 1.00 14.41 H new ATOM 0 HE ARG A 97 -6.328 -9.689 9.890 1.00 60.15 H new ATOM 0 HH11 ARG A 97 -7.337 -13.084 9.498 1.00 14.25 H new ATOM 0 HH12 ARG A 97 -7.134 -13.441 11.217 1.00 14.25 H new ATOM 0 HH21 ARG A 97 -6.134 -10.166 12.063 1.00 31.34 H new ATOM 0 HH22 ARG A 97 -6.457 -11.798 12.659 1.00 31.34 H new ATOM 1608 N ALA A 98 -4.847 -6.617 7.220 1.00 63.32 N ATOM 1609 CA ALA A 98 -4.988 -5.403 8.033 1.00 71.41 C ATOM 1610 C ALA A 98 -6.438 -4.936 7.939 1.00 62.11 C ATOM 1611 O ALA A 98 -6.881 -4.476 6.884 1.00 3.43 O ATOM 1612 CB ALA A 98 -4.002 -4.324 7.568 1.00 55.04 C ATOM 0 H ALA A 98 -5.420 -6.613 6.376 1.00 63.32 H new ATOM 0 HA ALA A 98 -4.748 -5.610 9.076 1.00 71.41 H new ATOM 0 HB1 ALA A 98 -4.122 -3.432 8.183 1.00 55.04 H new ATOM 0 HB2 ALA A 98 -2.982 -4.697 7.665 1.00 55.04 H new ATOM 0 HB3 ALA A 98 -4.200 -4.075 6.525 1.00 55.04 H new ATOM 1618 N GLN A 99 -7.181 -5.127 9.035 1.00 31.02 N ATOM 1619 CA GLN A 99 -8.614 -4.806 9.100 1.00 62.30 C ATOM 1620 C GLN A 99 -8.811 -3.400 9.678 1.00 13.33 C ATOM 1621 O GLN A 99 -9.456 -2.543 9.061 1.00 34.31 O ATOM 1622 CB GLN A 99 -9.362 -5.864 9.958 1.00 42.12 C ATOM 1623 CG GLN A 99 -9.282 -7.311 9.415 1.00 65.15 C ATOM 1624 CD GLN A 99 -10.037 -8.332 10.273 1.00 63.54 C ATOM 1625 OE1 GLN A 99 -11.040 -8.013 10.916 1.00 53.40 O ATOM 1626 NE2 GLN A 99 -9.565 -9.567 10.293 1.00 73.41 N ATOM 0 H GLN A 99 -6.807 -5.509 9.904 1.00 31.02 H new ATOM 0 HA GLN A 99 -9.030 -4.827 8.093 1.00 62.30 H new ATOM 0 HB2 GLN A 99 -8.954 -5.847 10.969 1.00 42.12 H new ATOM 0 HB3 GLN A 99 -10.411 -5.576 10.033 1.00 42.12 H new ATOM 0 HG2 GLN A 99 -9.684 -7.333 8.402 1.00 65.15 H new ATOM 0 HG3 GLN A 99 -8.235 -7.608 9.349 1.00 65.15 H new ATOM 0 HE21 GLN A 99 -8.734 -9.804 9.752 1.00 73.41 H new ATOM 0 HE22 GLN A 99 -10.032 -10.283 10.850 1.00 73.41 H new ATOM 1635 N ASP A 100 -8.232 -3.172 10.862 1.00 61.45 N ATOM 1636 CA ASP A 100 -8.397 -1.913 11.613 1.00 65.14 C ATOM 1637 C ASP A 100 -7.220 -0.964 11.324 1.00 41.34 C ATOM 1638 O ASP A 100 -6.119 -1.412 10.998 1.00 11.31 O ATOM 1639 CB ASP A 100 -8.517 -2.206 13.140 1.00 71.51 C ATOM 1640 CG ASP A 100 -9.219 -1.070 13.918 1.00 23.32 C ATOM 1641 OD1 ASP A 100 -10.411 -1.216 14.263 1.00 50.35 O ATOM 1642 OD2 ASP A 100 -8.599 -0.015 14.166 1.00 23.44 O ATOM 0 H ASP A 100 -7.634 -3.853 11.331 1.00 61.45 H new ATOM 0 HA ASP A 100 -9.316 -1.425 11.288 1.00 65.14 H new ATOM 0 HB2 ASP A 100 -9.070 -3.134 13.284 1.00 71.51 H new ATOM 0 HB3 ASP A 100 -7.521 -2.361 13.554 1.00 71.51 H new ATOM 1647 N LYS A 101 -7.480 0.342 11.494 1.00 24.33 N ATOM 1648 CA LYS A 101 -6.532 1.437 11.215 1.00 12.13 C ATOM 1649 C LYS A 101 -5.259 1.346 12.069 1.00 72.22 C ATOM 1650 O LYS A 101 -4.189 1.774 11.628 1.00 34.13 O ATOM 1651 CB LYS A 101 -7.239 2.803 11.421 1.00 1.33 C ATOM 1652 CG LYS A 101 -7.848 3.012 12.827 1.00 44.13 C ATOM 1653 CD LYS A 101 -8.481 4.408 13.003 1.00 33.23 C ATOM 1654 CE LYS A 101 -9.099 4.609 14.392 1.00 71.22 C ATOM 1655 NZ LYS A 101 -10.362 3.843 14.568 1.00 71.14 N ATOM 0 H LYS A 101 -8.380 0.677 11.839 1.00 24.33 H new ATOM 0 HA LYS A 101 -6.214 1.344 10.177 1.00 12.13 H new ATOM 0 HB2 LYS A 101 -6.521 3.600 11.229 1.00 1.33 H new ATOM 0 HB3 LYS A 101 -8.031 2.902 10.679 1.00 1.33 H new ATOM 0 HG2 LYS A 101 -8.606 2.249 13.007 1.00 44.13 H new ATOM 0 HG3 LYS A 101 -7.071 2.873 13.579 1.00 44.13 H new ATOM 0 HD2 LYS A 101 -7.721 5.171 12.835 1.00 33.23 H new ATOM 0 HD3 LYS A 101 -9.250 4.552 12.244 1.00 33.23 H new ATOM 0 HE2 LYS A 101 -8.382 4.302 15.153 1.00 71.22 H new ATOM 0 HE3 LYS A 101 -9.296 5.670 14.549 1.00 71.22 H new ATOM 0 HZ1 LYS A 101 -10.677 3.916 15.556 1.00 71.14 H new ATOM 0 HZ2 LYS A 101 -11.095 4.233 13.941 1.00 71.14 H new ATOM 0 HZ3 LYS A 101 -10.198 2.844 14.330 1.00 71.14 H new ATOM 1669 N GLU A 102 -5.385 0.778 13.283 1.00 14.03 N ATOM 1670 CA GLU A 102 -4.234 0.544 14.172 1.00 73.24 C ATOM 1671 C GLU A 102 -3.321 -0.568 13.615 1.00 33.14 C ATOM 1672 O GLU A 102 -2.091 -0.430 13.621 1.00 1.55 O ATOM 1673 CB GLU A 102 -4.697 0.248 15.628 1.00 3.30 C ATOM 1674 CG GLU A 102 -5.800 -0.819 15.771 1.00 12.24 C ATOM 1675 CD GLU A 102 -6.223 -1.069 17.230 1.00 25.21 C ATOM 1676 OE1 GLU A 102 -5.623 -1.942 17.892 1.00 71.42 O ATOM 1677 OE2 GLU A 102 -7.148 -0.378 17.728 1.00 3.32 O ATOM 0 H GLU A 102 -6.277 0.472 13.671 1.00 14.03 H new ATOM 0 HA GLU A 102 -3.642 1.458 14.207 1.00 73.24 H new ATOM 0 HB2 GLU A 102 -3.831 -0.070 16.208 1.00 3.30 H new ATOM 0 HB3 GLU A 102 -5.055 1.177 16.073 1.00 3.30 H new ATOM 0 HG2 GLU A 102 -6.672 -0.509 15.196 1.00 12.24 H new ATOM 0 HG3 GLU A 102 -5.448 -1.755 15.337 1.00 12.24 H new ATOM 1684 N GLU A 103 -3.938 -1.645 13.103 1.00 14.43 N ATOM 1685 CA GLU A 103 -3.213 -2.755 12.455 1.00 34.32 C ATOM 1686 C GLU A 103 -2.504 -2.291 11.161 1.00 3.45 C ATOM 1687 O GLU A 103 -1.423 -2.788 10.825 1.00 54.24 O ATOM 1688 CB GLU A 103 -4.183 -3.923 12.138 1.00 13.31 C ATOM 1689 CG GLU A 103 -5.001 -4.431 13.346 1.00 25.33 C ATOM 1690 CD GLU A 103 -5.862 -5.664 13.019 1.00 75.41 C ATOM 1691 OE1 GLU A 103 -6.876 -5.524 12.305 1.00 30.31 O ATOM 1692 OE2 GLU A 103 -5.516 -6.786 13.452 1.00 35.25 O ATOM 0 H GLU A 103 -4.950 -1.773 13.125 1.00 14.43 H new ATOM 0 HA GLU A 103 -2.450 -3.102 13.152 1.00 34.32 H new ATOM 0 HB2 GLU A 103 -4.874 -3.602 11.358 1.00 13.31 H new ATOM 0 HB3 GLU A 103 -3.608 -4.755 11.731 1.00 13.31 H new ATOM 0 HG2 GLU A 103 -4.320 -4.677 14.160 1.00 25.33 H new ATOM 0 HG3 GLU A 103 -5.647 -3.629 13.702 1.00 25.33 H new ATOM 1699 N VAL A 104 -3.125 -1.325 10.454 1.00 1.42 N ATOM 1700 CA VAL A 104 -2.582 -0.785 9.203 1.00 61.14 C ATOM 1701 C VAL A 104 -1.359 0.104 9.479 1.00 53.53 C ATOM 1702 O VAL A 104 -0.307 -0.106 8.880 1.00 44.35 O ATOM 1703 CB VAL A 104 -3.655 0.040 8.409 1.00 54.52 C ATOM 1704 CG1 VAL A 104 -3.063 0.634 7.113 1.00 44.23 C ATOM 1705 CG2 VAL A 104 -4.899 -0.814 8.101 1.00 44.42 C ATOM 0 H VAL A 104 -4.010 -0.904 10.736 1.00 1.42 H new ATOM 0 HA VAL A 104 -2.283 -1.638 8.593 1.00 61.14 H new ATOM 0 HB VAL A 104 -3.964 0.869 9.045 1.00 54.52 H new ATOM 0 HG11 VAL A 104 -3.833 1.199 6.587 1.00 44.23 H new ATOM 0 HG12 VAL A 104 -2.233 1.295 7.362 1.00 44.23 H new ATOM 0 HG13 VAL A 104 -2.705 -0.173 6.474 1.00 44.23 H new ATOM 0 HG21 VAL A 104 -5.624 -0.215 7.550 1.00 44.42 H new ATOM 0 HG22 VAL A 104 -4.609 -1.676 7.500 1.00 44.42 H new ATOM 0 HG23 VAL A 104 -5.345 -1.157 9.035 1.00 44.42 H new ATOM 1715 N LYS A 105 -1.506 1.080 10.405 1.00 35.22 N ATOM 1716 CA LYS A 105 -0.438 2.064 10.694 1.00 74.44 C ATOM 1717 C LYS A 105 0.798 1.380 11.312 1.00 41.13 C ATOM 1718 O LYS A 105 1.923 1.834 11.106 1.00 52.13 O ATOM 1719 CB LYS A 105 -0.949 3.218 11.606 1.00 70.15 C ATOM 1720 CG LYS A 105 -1.333 2.796 13.042 1.00 65.23 C ATOM 1721 CD LYS A 105 -1.920 3.960 13.874 1.00 34.40 C ATOM 1722 CE LYS A 105 -2.279 3.566 15.319 1.00 11.31 C ATOM 1723 NZ LYS A 105 -2.754 4.741 16.103 1.00 1.42 N ATOM 0 H LYS A 105 -2.351 1.207 10.963 1.00 35.22 H new ATOM 0 HA LYS A 105 -0.140 2.505 9.743 1.00 74.44 H new ATOM 0 HB2 LYS A 105 -0.176 3.985 11.663 1.00 70.15 H new ATOM 0 HB3 LYS A 105 -1.818 3.676 11.134 1.00 70.15 H new ATOM 0 HG2 LYS A 105 -2.061 1.986 12.995 1.00 65.23 H new ATOM 0 HG3 LYS A 105 -0.451 2.403 13.548 1.00 65.23 H new ATOM 0 HD2 LYS A 105 -1.200 4.778 13.898 1.00 34.40 H new ATOM 0 HD3 LYS A 105 -2.814 4.337 13.376 1.00 34.40 H new ATOM 0 HE2 LYS A 105 -3.053 2.799 15.306 1.00 11.31 H new ATOM 0 HE3 LYS A 105 -1.406 3.131 15.806 1.00 11.31 H new ATOM 0 HZ1 LYS A 105 -3.051 4.429 17.050 1.00 1.42 H new ATOM 0 HZ2 LYS A 105 -1.983 5.433 16.192 1.00 1.42 H new ATOM 0 HZ3 LYS A 105 -3.560 5.181 15.615 1.00 1.42 H new ATOM 1737 N ASP A 106 0.556 0.292 12.078 1.00 13.53 N ATOM 1738 CA ASP A 106 1.612 -0.612 12.574 1.00 71.34 C ATOM 1739 C ASP A 106 2.351 -1.302 11.411 1.00 51.41 C ATOM 1740 O ASP A 106 3.580 -1.338 11.386 1.00 2.21 O ATOM 1741 CB ASP A 106 0.987 -1.674 13.517 1.00 33.52 C ATOM 1742 CG ASP A 106 2.010 -2.696 14.049 1.00 63.14 C ATOM 1743 OD1 ASP A 106 2.784 -2.353 14.968 1.00 54.55 O ATOM 1744 OD2 ASP A 106 2.054 -3.843 13.548 1.00 53.13 O ATOM 0 H ASP A 106 -0.382 0.018 12.369 1.00 13.53 H new ATOM 0 HA ASP A 106 2.341 -0.019 13.126 1.00 71.34 H new ATOM 0 HB2 ASP A 106 0.517 -1.169 14.361 1.00 33.52 H new ATOM 0 HB3 ASP A 106 0.198 -2.204 12.983 1.00 33.52 H new ATOM 1749 N ALA A 107 1.578 -1.828 10.439 1.00 41.24 N ATOM 1750 CA ALA A 107 2.123 -2.571 9.285 1.00 41.24 C ATOM 1751 C ALA A 107 2.904 -1.649 8.329 1.00 73.35 C ATOM 1752 O ALA A 107 3.867 -2.080 7.694 1.00 24.54 O ATOM 1753 CB ALA A 107 0.991 -3.285 8.537 1.00 22.12 C ATOM 0 H ALA A 107 0.561 -1.750 10.432 1.00 41.24 H new ATOM 0 HA ALA A 107 2.824 -3.313 9.667 1.00 41.24 H new ATOM 0 HB1 ALA A 107 1.403 -3.830 7.688 1.00 22.12 H new ATOM 0 HB2 ALA A 107 0.494 -3.984 9.210 1.00 22.12 H new ATOM 0 HB3 ALA A 107 0.270 -2.550 8.181 1.00 22.12 H new ATOM 1759 N VAL A 108 2.463 -0.382 8.234 1.00 23.13 N ATOM 1760 CA VAL A 108 3.156 0.657 7.459 1.00 72.14 C ATOM 1761 C VAL A 108 4.484 1.020 8.140 1.00 34.31 C ATOM 1762 O VAL A 108 5.540 0.923 7.518 1.00 14.23 O ATOM 1763 CB VAL A 108 2.260 1.943 7.280 1.00 34.34 C ATOM 1764 CG1 VAL A 108 3.038 3.103 6.611 1.00 55.12 C ATOM 1765 CG2 VAL A 108 0.986 1.606 6.475 1.00 3.13 C ATOM 0 H VAL A 108 1.615 -0.051 8.694 1.00 23.13 H new ATOM 0 HA VAL A 108 3.359 0.257 6.465 1.00 72.14 H new ATOM 0 HB VAL A 108 1.969 2.280 8.275 1.00 34.34 H new ATOM 0 HG11 VAL A 108 2.383 3.968 6.507 1.00 55.12 H new ATOM 0 HG12 VAL A 108 3.896 3.369 7.228 1.00 55.12 H new ATOM 0 HG13 VAL A 108 3.383 2.789 5.626 1.00 55.12 H new ATOM 0 HG21 VAL A 108 0.379 2.504 6.361 1.00 3.13 H new ATOM 0 HG22 VAL A 108 1.266 1.230 5.491 1.00 3.13 H new ATOM 0 HG23 VAL A 108 0.412 0.845 7.004 1.00 3.13 H new ATOM 1775 N GLU A 109 4.400 1.383 9.438 1.00 71.13 N ATOM 1776 CA GLU A 109 5.559 1.780 10.266 1.00 50.54 C ATOM 1777 C GLU A 109 6.676 0.722 10.216 1.00 14.41 C ATOM 1778 O GLU A 109 7.842 1.043 9.962 1.00 52.44 O ATOM 1779 CB GLU A 109 5.104 1.988 11.735 1.00 20.45 C ATOM 1780 CG GLU A 109 6.252 2.248 12.724 1.00 25.31 C ATOM 1781 CD GLU A 109 5.812 2.386 14.189 1.00 11.21 C ATOM 1782 OE1 GLU A 109 5.068 1.512 14.682 1.00 74.31 O ATOM 1783 OE2 GLU A 109 6.239 3.348 14.863 1.00 1.45 O ATOM 0 H GLU A 109 3.516 1.409 9.946 1.00 71.13 H new ATOM 0 HA GLU A 109 5.957 2.712 9.864 1.00 50.54 H new ATOM 0 HB2 GLU A 109 4.411 2.828 11.772 1.00 20.45 H new ATOM 0 HB3 GLU A 109 4.553 1.106 12.060 1.00 20.45 H new ATOM 0 HG2 GLU A 109 6.971 1.432 12.649 1.00 25.31 H new ATOM 0 HG3 GLU A 109 6.772 3.159 12.427 1.00 25.31 H new ATOM 1790 N GLU A 110 6.271 -0.536 10.436 1.00 73.24 N ATOM 1791 CA GLU A 110 7.164 -1.700 10.443 1.00 33.44 C ATOM 1792 C GLU A 110 7.856 -1.876 9.072 1.00 23.10 C ATOM 1793 O GLU A 110 9.065 -2.081 9.010 1.00 70.03 O ATOM 1794 CB GLU A 110 6.340 -2.965 10.818 1.00 64.01 C ATOM 1795 CG GLU A 110 7.159 -4.259 11.018 1.00 71.43 C ATOM 1796 CD GLU A 110 8.083 -4.222 12.244 1.00 61.41 C ATOM 1797 OE1 GLU A 110 9.271 -3.883 12.102 1.00 30.14 O ATOM 1798 OE2 GLU A 110 7.618 -4.523 13.367 1.00 54.44 O ATOM 0 H GLU A 110 5.296 -0.776 10.617 1.00 73.24 H new ATOM 0 HA GLU A 110 7.950 -1.548 11.183 1.00 33.44 H new ATOM 0 HB2 GLU A 110 5.789 -2.759 11.736 1.00 64.01 H new ATOM 0 HB3 GLU A 110 5.601 -3.141 10.036 1.00 64.01 H new ATOM 0 HG2 GLU A 110 6.473 -5.101 11.116 1.00 71.43 H new ATOM 0 HG3 GLU A 110 7.760 -4.440 10.127 1.00 71.43 H new ATOM 1805 N PHE A 111 7.070 -1.724 7.981 1.00 72.53 N ATOM 1806 CA PHE A 111 7.559 -1.859 6.584 1.00 31.03 C ATOM 1807 C PHE A 111 8.628 -0.791 6.267 1.00 3.41 C ATOM 1808 O PHE A 111 9.619 -1.069 5.587 1.00 52.11 O ATOM 1809 CB PHE A 111 6.351 -1.736 5.611 1.00 64.23 C ATOM 1810 CG PHE A 111 6.629 -2.047 4.132 1.00 25.25 C ATOM 1811 CD1 PHE A 111 6.761 -3.363 3.691 1.00 42.45 C ATOM 1812 CD2 PHE A 111 6.719 -1.029 3.175 1.00 12.44 C ATOM 1813 CE1 PHE A 111 6.981 -3.646 2.352 1.00 74.44 C ATOM 1814 CE2 PHE A 111 6.942 -1.319 1.838 1.00 54.40 C ATOM 1815 CZ PHE A 111 7.071 -2.627 1.429 1.00 74.34 C ATOM 0 H PHE A 111 6.076 -1.504 8.042 1.00 72.53 H new ATOM 0 HA PHE A 111 8.027 -2.836 6.460 1.00 31.03 H new ATOM 0 HB2 PHE A 111 5.563 -2.405 5.958 1.00 64.23 H new ATOM 0 HB3 PHE A 111 5.960 -0.721 5.679 1.00 64.23 H new ATOM 0 HD1 PHE A 111 6.691 -4.173 4.402 1.00 42.45 H new ATOM 0 HD2 PHE A 111 6.613 0.000 3.484 1.00 12.44 H new ATOM 0 HE1 PHE A 111 7.083 -4.672 2.030 1.00 74.44 H new ATOM 0 HE2 PHE A 111 7.015 -0.518 1.117 1.00 54.40 H new ATOM 0 HZ PHE A 111 7.242 -2.854 0.387 1.00 74.34 H new ATOM 1825 N LEU A 112 8.409 0.421 6.807 1.00 0.34 N ATOM 1826 CA LEU A 112 9.298 1.582 6.615 1.00 13.23 C ATOM 1827 C LEU A 112 10.620 1.417 7.394 1.00 73.22 C ATOM 1828 O LEU A 112 11.698 1.714 6.864 1.00 72.33 O ATOM 1829 CB LEU A 112 8.575 2.882 7.062 1.00 74.51 C ATOM 1830 CG LEU A 112 7.254 3.229 6.304 1.00 41.21 C ATOM 1831 CD1 LEU A 112 6.510 4.401 6.977 1.00 5.30 C ATOM 1832 CD2 LEU A 112 7.521 3.518 4.820 1.00 14.41 C ATOM 0 H LEU A 112 7.601 0.625 7.395 1.00 0.34 H new ATOM 0 HA LEU A 112 9.541 1.648 5.555 1.00 13.23 H new ATOM 0 HB2 LEU A 112 8.349 2.801 8.125 1.00 74.51 H new ATOM 0 HB3 LEU A 112 9.267 3.716 6.946 1.00 74.51 H new ATOM 0 HG LEU A 112 6.606 2.354 6.358 1.00 41.21 H new ATOM 0 HD11 LEU A 112 5.595 4.617 6.425 1.00 5.30 H new ATOM 0 HD12 LEU A 112 6.259 4.132 8.003 1.00 5.30 H new ATOM 0 HD13 LEU A 112 7.149 5.284 6.980 1.00 5.30 H new ATOM 0 HD21 LEU A 112 6.582 3.756 4.321 1.00 14.41 H new ATOM 0 HD22 LEU A 112 8.203 4.363 4.731 1.00 14.41 H new ATOM 0 HD23 LEU A 112 7.968 2.640 4.353 1.00 14.41 H new ATOM 1844 N LYS A 113 10.527 0.934 8.650 1.00 63.03 N ATOM 1845 CA LYS A 113 11.700 0.770 9.534 1.00 24.04 C ATOM 1846 C LYS A 113 12.606 -0.375 9.047 1.00 33.11 C ATOM 1847 O LYS A 113 13.838 -0.272 9.109 1.00 45.23 O ATOM 1848 CB LYS A 113 11.255 0.546 11.006 1.00 21.00 C ATOM 1849 CG LYS A 113 10.525 1.756 11.629 1.00 13.33 C ATOM 1850 CD LYS A 113 10.310 1.630 13.150 1.00 22.34 C ATOM 1851 CE LYS A 113 9.643 2.886 13.749 1.00 24.45 C ATOM 1852 NZ LYS A 113 10.384 4.141 13.438 1.00 3.55 N ATOM 0 H LYS A 113 9.646 0.649 9.077 1.00 63.03 H new ATOM 0 HA LYS A 113 12.282 1.691 9.495 1.00 24.04 H new ATOM 0 HB2 LYS A 113 10.599 -0.323 11.049 1.00 21.00 H new ATOM 0 HB3 LYS A 113 12.132 0.313 11.609 1.00 21.00 H new ATOM 0 HG2 LYS A 113 11.099 2.660 11.425 1.00 13.33 H new ATOM 0 HG3 LYS A 113 9.557 1.876 11.142 1.00 13.33 H new ATOM 0 HD2 LYS A 113 9.690 0.758 13.357 1.00 22.34 H new ATOM 0 HD3 LYS A 113 11.270 1.462 13.639 1.00 22.34 H new ATOM 0 HE2 LYS A 113 8.625 2.967 13.368 1.00 24.45 H new ATOM 0 HE3 LYS A 113 9.570 2.772 14.831 1.00 24.45 H new ATOM 0 HZ1 LYS A 113 9.949 4.936 13.948 1.00 3.55 H new ATOM 0 HZ2 LYS A 113 11.376 4.041 13.734 1.00 3.55 H new ATOM 0 HZ3 LYS A 113 10.344 4.323 12.415 1.00 3.55 H new ATOM 1866 N GLU A 114 11.983 -1.445 8.529 1.00 71.01 N ATOM 1867 CA GLU A 114 12.709 -2.586 7.929 1.00 63.14 C ATOM 1868 C GLU A 114 13.190 -2.263 6.496 1.00 12.55 C ATOM 1869 O GLU A 114 13.830 -3.099 5.847 1.00 14.24 O ATOM 1870 CB GLU A 114 11.805 -3.848 7.922 1.00 61.42 C ATOM 1871 CG GLU A 114 11.300 -4.284 9.316 1.00 22.24 C ATOM 1872 CD GLU A 114 12.416 -4.642 10.312 1.00 71.33 C ATOM 1873 OE1 GLU A 114 12.886 -5.795 10.301 1.00 3.11 O ATOM 1874 OE2 GLU A 114 12.827 -3.778 11.122 1.00 41.34 O ATOM 0 H GLU A 114 10.968 -1.548 8.512 1.00 71.01 H new ATOM 0 HA GLU A 114 13.592 -2.780 8.538 1.00 63.14 H new ATOM 0 HB2 GLU A 114 10.944 -3.659 7.281 1.00 61.42 H new ATOM 0 HB3 GLU A 114 12.359 -4.674 7.476 1.00 61.42 H new ATOM 0 HG2 GLU A 114 10.697 -3.480 9.738 1.00 22.24 H new ATOM 0 HG3 GLU A 114 10.644 -5.147 9.198 1.00 22.24 H new ATOM 1881 N GLY A 115 12.859 -1.054 6.004 1.00 14.23 N ATOM 1882 CA GLY A 115 13.220 -0.616 4.657 1.00 71.35 C ATOM 1883 C GLY A 115 12.133 -0.962 3.655 1.00 44.41 C ATOM 1884 O GLY A 115 11.665 -0.101 2.905 1.00 52.54 O ATOM 0 H GLY A 115 12.334 -0.359 6.535 1.00 14.23 H new ATOM 0 HA2 GLY A 115 13.390 0.461 4.656 1.00 71.35 H new ATOM 0 HA3 GLY A 115 14.157 -1.087 4.358 1.00 71.35 H new ATOM 1888 N GLY A 116 11.747 -2.245 3.647 1.00 5.11 N ATOM 1889 CA GLY A 116 10.648 -2.731 2.831 1.00 22.35 C ATOM 1890 C GLY A 116 10.378 -4.205 3.092 1.00 62.00 C ATOM 1891 O GLY A 116 10.506 -5.028 2.182 1.00 74.31 O ATOM 0 H GLY A 116 12.194 -2.969 4.210 1.00 5.11 H new ATOM 0 HA2 GLY A 116 9.750 -2.151 3.043 1.00 22.35 H new ATOM 0 HA3 GLY A 116 10.881 -2.583 1.777 1.00 22.35 H new ATOM 1895 N SER A 117 10.006 -4.542 4.352 1.00 34.13 N ATOM 1896 CA SER A 117 9.702 -5.934 4.761 1.00 72.02 C ATOM 1897 C SER A 117 8.764 -5.969 5.985 1.00 53.33 C ATOM 1898 O SER A 117 8.799 -5.081 6.843 1.00 31.11 O ATOM 1899 CB SER A 117 11.003 -6.719 5.090 1.00 4.32 C ATOM 1900 OG SER A 117 11.849 -6.859 3.957 1.00 31.45 O ATOM 0 H SER A 117 9.909 -3.862 5.106 1.00 34.13 H new ATOM 0 HA SER A 117 9.201 -6.410 3.918 1.00 72.02 H new ATOM 0 HB2 SER A 117 11.544 -6.204 5.884 1.00 4.32 H new ATOM 0 HB3 SER A 117 10.742 -7.707 5.471 1.00 4.32 H new ATOM 0 HG SER A 117 11.447 -6.400 3.190 1.00 31.45 H new ATOM 1906 N LEU A 118 7.930 -7.017 6.019 1.00 25.54 N ATOM 1907 CA LEU A 118 7.126 -7.437 7.179 1.00 71.54 C ATOM 1908 C LEU A 118 7.422 -8.928 7.408 1.00 61.22 C ATOM 1909 O LEU A 118 7.729 -9.357 8.525 1.00 60.32 O ATOM 1910 CB LEU A 118 5.603 -7.234 6.928 1.00 31.30 C ATOM 1911 CG LEU A 118 5.106 -5.775 6.712 1.00 3.03 C ATOM 1912 CD1 LEU A 118 3.577 -5.728 6.545 1.00 15.32 C ATOM 1913 CD2 LEU A 118 5.547 -4.870 7.863 1.00 34.24 C ATOM 0 H LEU A 118 7.790 -7.620 5.208 1.00 25.54 H new ATOM 0 HA LEU A 118 7.387 -6.834 8.049 1.00 71.54 H new ATOM 0 HB2 LEU A 118 5.324 -7.819 6.052 1.00 31.30 H new ATOM 0 HB3 LEU A 118 5.062 -7.653 7.776 1.00 31.30 H new ATOM 0 HG LEU A 118 5.559 -5.405 5.792 1.00 3.03 H new ATOM 0 HD11 LEU A 118 3.259 -4.696 6.396 1.00 15.32 H new ATOM 0 HD12 LEU A 118 3.287 -6.326 5.681 1.00 15.32 H new ATOM 0 HD13 LEU A 118 3.101 -6.129 7.440 1.00 15.32 H new ATOM 0 HD21 LEU A 118 5.187 -3.856 7.687 1.00 34.24 H new ATOM 0 HD22 LEU A 118 5.134 -5.245 8.799 1.00 34.24 H new ATOM 0 HD23 LEU A 118 6.635 -4.863 7.924 1.00 34.24 H new ATOM 1925 N GLU A 119 7.309 -9.708 6.312 1.00 24.01 N ATOM 1926 CA GLU A 119 7.703 -11.127 6.280 1.00 71.44 C ATOM 1927 C GLU A 119 9.234 -11.271 6.242 1.00 64.11 C ATOM 1928 O GLU A 119 9.950 -10.385 5.748 1.00 71.32 O ATOM 1929 CB GLU A 119 7.036 -11.856 5.080 1.00 51.33 C ATOM 1930 CG GLU A 119 5.501 -11.976 5.192 1.00 22.54 C ATOM 1931 CD GLU A 119 5.039 -12.719 6.463 1.00 24.41 C ATOM 1932 OE1 GLU A 119 4.664 -12.056 7.458 1.00 75.43 O ATOM 1933 OE2 GLU A 119 5.074 -13.965 6.486 1.00 41.53 O ATOM 0 H GLU A 119 6.941 -9.368 5.424 1.00 24.01 H new ATOM 0 HA GLU A 119 7.350 -11.601 7.196 1.00 71.44 H new ATOM 0 HB2 GLU A 119 7.282 -11.323 4.162 1.00 51.33 H new ATOM 0 HB3 GLU A 119 7.463 -12.855 4.993 1.00 51.33 H new ATOM 0 HG2 GLU A 119 5.064 -10.978 5.184 1.00 22.54 H new ATOM 0 HG3 GLU A 119 5.119 -12.498 4.315 1.00 22.54 H new ATOM 1940 N HIS A 120 9.717 -12.406 6.766 1.00 35.02 N ATOM 1941 CA HIS A 120 11.148 -12.650 6.989 1.00 71.34 C ATOM 1942 C HIS A 120 11.841 -13.185 5.723 1.00 24.21 C ATOM 1943 O HIS A 120 11.599 -14.322 5.301 1.00 62.11 O ATOM 1944 CB HIS A 120 11.340 -13.638 8.170 1.00 3.22 C ATOM 1945 CG HIS A 120 10.855 -13.099 9.493 1.00 42.34 C ATOM 1946 ND1 HIS A 120 9.576 -13.303 9.968 1.00 45.23 N ATOM 1947 CD2 HIS A 120 11.478 -12.332 10.426 1.00 45.02 C ATOM 1948 CE1 HIS A 120 9.433 -12.684 11.127 1.00 74.32 C ATOM 1949 NE2 HIS A 120 10.570 -12.092 11.426 1.00 51.20 N ATOM 0 H HIS A 120 9.122 -13.185 7.049 1.00 35.02 H new ATOM 0 HA HIS A 120 11.615 -11.697 7.237 1.00 71.34 H new ATOM 0 HB2 HIS A 120 10.810 -14.564 7.948 1.00 3.22 H new ATOM 0 HB3 HIS A 120 12.397 -13.889 8.255 1.00 3.22 H new ATOM 0 HD2 HIS A 120 12.497 -11.978 10.387 1.00 45.02 H new ATOM 0 HE1 HIS A 120 8.535 -12.667 11.727 1.00 74.32 H new ATOM 0 HE2 HIS A 120 10.748 -11.543 12.267 1.00 51.20 H new ATOM 1958 N HIS A 121 12.679 -12.330 5.113 1.00 75.34 N ATOM 1959 CA HIS A 121 13.650 -12.734 4.091 1.00 13.33 C ATOM 1960 C HIS A 121 14.704 -13.630 4.767 1.00 0.43 C ATOM 1961 O HIS A 121 15.616 -13.124 5.433 1.00 21.33 O ATOM 1962 CB HIS A 121 14.297 -11.468 3.465 1.00 72.42 C ATOM 1963 CG HIS A 121 15.328 -11.731 2.391 1.00 33.13 C ATOM 1964 ND1 HIS A 121 16.603 -11.201 2.420 1.00 65.42 N ATOM 1965 CD2 HIS A 121 15.243 -12.419 1.229 1.00 2.53 C ATOM 1966 CE1 HIS A 121 17.248 -11.553 1.326 1.00 2.13 C ATOM 1967 NE2 HIS A 121 16.450 -12.294 0.590 1.00 25.12 N ATOM 0 H HIS A 121 12.699 -11.331 5.320 1.00 75.34 H new ATOM 0 HA HIS A 121 13.169 -13.292 3.287 1.00 13.33 H new ATOM 0 HB2 HIS A 121 13.507 -10.848 3.042 1.00 72.42 H new ATOM 0 HB3 HIS A 121 14.765 -10.889 4.261 1.00 72.42 H new ATOM 0 HD2 HIS A 121 14.383 -12.966 0.871 1.00 2.53 H new ATOM 0 HE1 HIS A 121 18.262 -11.279 1.076 1.00 2.13 H new ATOM 0 HE2 HIS A 121 16.690 -12.709 -0.310 1.00 25.12 H new ATOM 1976 N HIS A 122 14.526 -14.956 4.607 1.00 64.22 N ATOM 1977 CA HIS A 122 15.244 -15.988 5.386 1.00 21.43 C ATOM 1978 C HIS A 122 16.770 -15.845 5.279 1.00 31.24 C ATOM 1979 O HIS A 122 17.352 -16.052 4.204 1.00 22.42 O ATOM 1980 CB HIS A 122 14.819 -17.405 4.942 1.00 1.02 C ATOM 1981 CG HIS A 122 13.343 -17.664 5.040 1.00 4.53 C ATOM 1982 ND1 HIS A 122 12.665 -17.709 6.238 1.00 2.21 N ATOM 1983 CD2 HIS A 122 12.413 -17.881 4.084 1.00 12.35 C ATOM 1984 CE1 HIS A 122 11.388 -17.936 6.014 1.00 62.33 C ATOM 1985 NE2 HIS A 122 11.212 -18.046 4.719 1.00 43.14 N ATOM 0 H HIS A 122 13.874 -15.346 3.927 1.00 64.22 H new ATOM 0 HA HIS A 122 14.969 -15.838 6.430 1.00 21.43 H new ATOM 0 HB2 HIS A 122 15.136 -17.561 3.911 1.00 1.02 H new ATOM 0 HB3 HIS A 122 15.346 -18.138 5.552 1.00 1.02 H new ATOM 0 HD2 HIS A 122 12.585 -17.917 3.018 1.00 12.35 H new ATOM 0 HE1 HIS A 122 10.618 -18.018 6.767 1.00 62.33 H new ATOM 0 HE2 HIS A 122 10.320 -18.226 4.258 1.00 43.14 H new ATOM 1994 N HIS A 123 17.392 -15.455 6.398 1.00 14.13 N ATOM 1995 CA HIS A 123 18.847 -15.340 6.512 1.00 74.33 C ATOM 1996 C HIS A 123 19.427 -16.735 6.795 1.00 63.23 C ATOM 1997 O HIS A 123 19.382 -17.212 7.934 1.00 53.10 O ATOM 1998 CB HIS A 123 19.224 -14.347 7.643 1.00 73.44 C ATOM 1999 CG HIS A 123 18.576 -12.986 7.534 1.00 15.12 C ATOM 2000 ND1 HIS A 123 17.907 -12.382 8.585 1.00 15.53 N ATOM 2001 CD2 HIS A 123 18.524 -12.098 6.508 1.00 73.12 C ATOM 2002 CE1 HIS A 123 17.480 -11.193 8.207 1.00 13.22 C ATOM 2003 NE2 HIS A 123 17.838 -10.998 6.955 1.00 73.33 N ATOM 0 H HIS A 123 16.895 -15.209 7.254 1.00 14.13 H new ATOM 0 HA HIS A 123 19.263 -14.954 5.581 1.00 74.33 H new ATOM 0 HB2 HIS A 123 18.950 -14.789 8.601 1.00 73.44 H new ATOM 0 HB3 HIS A 123 20.306 -14.219 7.649 1.00 73.44 H new ATOM 0 HD2 HIS A 123 18.945 -12.233 5.523 1.00 73.12 H new ATOM 0 HE1 HIS A 123 16.929 -10.496 8.821 1.00 13.22 H new ATOM 0 HE2 HIS A 123 17.637 -10.162 6.406 1.00 73.33 H new ATOM 2012 N HIS A 124 19.925 -17.405 5.743 1.00 63.32 N ATOM 2013 CA HIS A 124 20.473 -18.776 5.854 1.00 63.43 C ATOM 2014 C HIS A 124 21.886 -18.759 6.466 1.00 75.05 C ATOM 2015 O HIS A 124 22.473 -17.693 6.681 1.00 72.14 O ATOM 2016 CB HIS A 124 20.496 -19.475 4.467 1.00 32.41 C ATOM 2017 CG HIS A 124 19.131 -19.764 3.885 1.00 70.51 C ATOM 2018 ND1 HIS A 124 18.573 -21.028 3.856 1.00 34.45 N ATOM 2019 CD2 HIS A 124 18.225 -18.953 3.284 1.00 45.11 C ATOM 2020 CE1 HIS A 124 17.394 -20.976 3.266 1.00 52.21 C ATOM 2021 NE2 HIS A 124 17.161 -19.731 2.909 1.00 3.31 N ATOM 0 H HIS A 124 19.961 -17.021 4.799 1.00 63.32 H new ATOM 0 HA HIS A 124 19.819 -19.342 6.517 1.00 63.43 H new ATOM 0 HB2 HIS A 124 21.049 -18.848 3.768 1.00 32.41 H new ATOM 0 HB3 HIS A 124 21.044 -20.413 4.556 1.00 32.41 H new ATOM 0 HD2 HIS A 124 18.324 -17.889 3.129 1.00 45.11 H new ATOM 0 HE1 HIS A 124 16.732 -21.814 3.103 1.00 52.21 H new ATOM 0 HE2 HIS A 124 16.324 -19.399 2.430 1.00 3.31 H new ATOM 2030 N HIS A 125 22.424 -19.960 6.733 1.00 74.34 N ATOM 2031 CA HIS A 125 23.772 -20.144 7.302 1.00 33.32 C ATOM 2032 C HIS A 125 24.465 -21.351 6.614 1.00 64.32 C ATOM 2033 O HIS A 125 24.037 -22.503 6.822 1.00 11.51 O ATOM 2034 CB HIS A 125 23.716 -20.282 8.858 1.00 21.01 C ATOM 2035 CG HIS A 125 22.880 -21.417 9.403 1.00 71.11 C ATOM 2036 ND1 HIS A 125 23.415 -22.465 10.127 1.00 54.44 N ATOM 2037 CD2 HIS A 125 21.547 -21.650 9.352 1.00 44.34 C ATOM 2038 CE1 HIS A 125 22.452 -23.287 10.482 1.00 60.01 C ATOM 2039 NE2 HIS A 125 21.310 -22.816 10.031 1.00 32.41 N ATOM 2040 OXT HIS A 125 25.407 -21.135 5.825 1.00 38.51 O ATOM 0 H HIS A 125 21.934 -20.837 6.559 1.00 74.34 H new ATOM 0 HA HIS A 125 24.374 -19.258 7.103 1.00 33.32 H new ATOM 0 HB2 HIS A 125 24.735 -20.400 9.227 1.00 21.01 H new ATOM 0 HB3 HIS A 125 23.334 -19.348 9.270 1.00 21.01 H new ATOM 0 HD2 HIS A 125 20.807 -21.031 8.866 1.00 44.34 H new ATOM 0 HE1 HIS A 125 22.578 -24.197 11.049 1.00 60.01 H new ATOM 0 HE2 HIS A 125 20.396 -23.249 10.165 1.00 32.41 H new TER 2049 HIS A 125