USER MOD reduce.3.24.130724 H: found=0, std=0, add=734, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 734 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 169:sc= 0.548 (180deg=0.506) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0.0405 USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 ASN : amide:sc= -0.267 K(o=-0.27,f=-4.5!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 SER OG : rot 61:sc= 0.182 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 150:sc= 1.24 (180deg=1.16) USER MOD Single : A 25 SER OG : rot 151:sc= 0.451 USER MOD Single : A 26 LYS NZ :NH3+ 171:sc=-0.00704 (180deg=-0.0984) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 MET CE :methyl 177:sc= -0.0873 (180deg=-0.12) USER MOD Single : A 34 MET CE :methyl 175:sc= -3.01! (180deg=-3.27!) USER MOD Single : A 40 THR OG1 : rot -130:sc= 0.0884 USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 MET CE :methyl 164:sc= -0.0578 (180deg=-0.637) USER MOD Single : A 61 TYR OH : rot 100:sc= 0.833 USER MOD Single : A 62 SER OG : rot -137:sc= 0.885 USER MOD Single : A 64 SER OG : rot 180:sc= 0.0701 USER MOD Single : A 67 LYS NZ :NH3+ 136:sc= -1.22! (180deg=-3.44!) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 153:sc= -2.35! (180deg=-4.32!) USER MOD Single : A 81 HIS : no HD1:sc= -0.0637 X(o=-0.064,f=-0.035) USER MOD Single : A 82 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 83 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 84 HIS : no HD1:sc= -0.562! C(o=-0.56!,f=-5.7!) USER MOD Single : A 85 HIS : no HD1:sc=-0.00622 X(o=-0.0062,f=0) USER MOD Single : A 86 HIS : no HD1:sc= -0.109 X(o=-0.11,f=-0.11) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 5.953 0.143 19.159 1.00 32.12 N ATOM 2 CA MET A 1 5.302 1.237 18.402 1.00 0.23 C ATOM 3 C MET A 1 5.004 0.803 16.976 1.00 30.30 C ATOM 4 O MET A 1 5.659 -0.089 16.435 1.00 62.51 O ATOM 5 CB MET A 1 6.187 2.489 18.389 1.00 10.20 C ATOM 6 CG MET A 1 5.929 3.441 19.547 1.00 52.43 C ATOM 7 SD MET A 1 6.123 2.657 21.157 1.00 1.14 S ATOM 8 CE MET A 1 5.653 4.001 22.244 1.00 3.41 C ATOM 0 H1 MET A 1 6.315 0.513 20.061 1.00 32.12 H new ATOM 0 H2 MET A 1 5.260 -0.610 19.346 1.00 32.12 H new ATOM 0 H3 MET A 1 6.742 -0.243 18.602 1.00 32.12 H new ATOM 0 HA MET A 1 4.362 1.475 18.901 1.00 0.23 H new ATOM 0 HB2 MET A 1 7.233 2.182 18.410 1.00 10.20 H new ATOM 0 HB3 MET A 1 6.030 3.023 17.452 1.00 10.20 H new ATOM 0 HG2 MET A 1 6.614 4.286 19.475 1.00 52.43 H new ATOM 0 HG3 MET A 1 4.919 3.841 19.463 1.00 52.43 H new ATOM 0 HE1 MET A 1 5.722 3.671 23.281 1.00 3.41 H new ATOM 0 HE2 MET A 1 6.322 4.847 22.087 1.00 3.41 H new ATOM 0 HE3 MET A 1 4.629 4.304 22.027 1.00 3.41 H new ATOM 20 N THR A 2 4.004 1.426 16.378 1.00 61.25 N ATOM 21 CA THR A 2 3.641 1.152 15.000 1.00 54.11 C ATOM 22 C THR A 2 4.276 2.172 14.059 1.00 22.23 C ATOM 23 O THR A 2 3.770 3.279 13.892 1.00 71.22 O ATOM 24 CB THR A 2 2.111 1.166 14.838 1.00 33.33 C ATOM 25 OG1 THR A 2 1.535 2.060 15.802 1.00 5.01 O ATOM 26 CG2 THR A 2 1.533 -0.228 15.022 1.00 51.20 C ATOM 0 H THR A 2 3.424 2.132 16.831 1.00 61.25 H new ATOM 0 HA THR A 2 4.016 0.162 14.740 1.00 54.11 H new ATOM 0 HB THR A 2 1.872 1.506 13.830 1.00 33.33 H new ATOM 0 HG1 THR A 2 0.561 2.070 15.698 1.00 5.01 H new ATOM 0 HG21 THR A 2 0.450 -0.192 14.903 1.00 51.20 H new ATOM 0 HG22 THR A 2 1.958 -0.899 14.276 1.00 51.20 H new ATOM 0 HG23 THR A 2 1.776 -0.594 16.020 1.00 51.20 H new ATOM 34 N LYS A 3 5.406 1.805 13.477 1.00 2.10 N ATOM 35 CA LYS A 3 6.118 2.693 12.568 1.00 21.22 C ATOM 36 C LYS A 3 5.821 2.326 11.121 1.00 73.51 C ATOM 37 O LYS A 3 5.035 1.417 10.854 1.00 42.42 O ATOM 38 CB LYS A 3 7.622 2.634 12.840 1.00 63.41 C ATOM 39 CG LYS A 3 8.007 3.189 14.200 1.00 50.24 C ATOM 40 CD LYS A 3 9.507 3.128 14.426 1.00 54.30 C ATOM 41 CE LYS A 3 9.892 3.776 15.744 1.00 42.14 C ATOM 42 NZ LYS A 3 11.349 3.671 16.015 1.00 55.40 N ATOM 0 H LYS A 3 5.851 0.898 13.617 1.00 2.10 H new ATOM 0 HA LYS A 3 5.775 3.713 12.739 1.00 21.22 H new ATOM 0 HB2 LYS A 3 7.957 1.599 12.769 1.00 63.41 H new ATOM 0 HB3 LYS A 3 8.147 3.193 12.065 1.00 63.41 H new ATOM 0 HG2 LYS A 3 7.668 4.222 14.281 1.00 50.24 H new ATOM 0 HG3 LYS A 3 7.498 2.624 14.981 1.00 50.24 H new ATOM 0 HD2 LYS A 3 9.836 2.089 14.419 1.00 54.30 H new ATOM 0 HD3 LYS A 3 10.021 3.631 13.607 1.00 54.30 H new ATOM 0 HE2 LYS A 3 9.601 4.826 15.729 1.00 42.14 H new ATOM 0 HE3 LYS A 3 9.338 3.303 16.555 1.00 42.14 H new ATOM 0 HZ1 LYS A 3 11.567 4.126 16.924 1.00 55.40 H new ATOM 0 HZ2 LYS A 3 11.623 2.669 16.055 1.00 55.40 H new ATOM 0 HZ3 LYS A 3 11.878 4.144 15.255 1.00 55.40 H new ATOM 56 N GLY A 4 6.450 3.039 10.196 1.00 51.41 N ATOM 57 CA GLY A 4 6.225 2.788 8.789 1.00 33.04 C ATOM 58 C GLY A 4 6.814 1.467 8.346 1.00 51.33 C ATOM 59 O GLY A 4 8.028 1.267 8.410 1.00 61.03 O ATOM 0 H GLY A 4 7.113 3.788 10.397 1.00 51.41 H new ATOM 0 HA2 GLY A 4 5.154 2.793 8.587 1.00 33.04 H new ATOM 0 HA3 GLY A 4 6.664 3.595 8.202 1.00 33.04 H new ATOM 63 N ILE A 5 5.958 0.561 7.912 1.00 20.11 N ATOM 64 CA ILE A 5 6.402 -0.737 7.429 1.00 11.20 C ATOM 65 C ILE A 5 6.071 -0.883 5.954 1.00 63.02 C ATOM 66 O ILE A 5 5.324 -0.074 5.403 1.00 74.04 O ATOM 67 CB ILE A 5 5.757 -1.901 8.216 1.00 63.50 C ATOM 68 CG1 ILE A 5 4.228 -1.804 8.165 1.00 52.54 C ATOM 69 CG2 ILE A 5 6.250 -1.904 9.657 1.00 72.25 C ATOM 70 CD1 ILE A 5 3.518 -2.984 8.798 1.00 71.11 C ATOM 0 H ILE A 5 4.948 0.699 7.883 1.00 20.11 H new ATOM 0 HA ILE A 5 7.481 -0.787 7.578 1.00 11.20 H new ATOM 0 HB ILE A 5 6.053 -2.841 7.750 1.00 63.50 H new ATOM 0 HG12 ILE A 5 3.914 -0.890 8.670 1.00 52.54 H new ATOM 0 HG13 ILE A 5 3.913 -1.718 7.125 1.00 52.54 H new ATOM 0 HG21 ILE A 5 5.787 -2.729 10.198 1.00 72.25 H new ATOM 0 HG22 ILE A 5 7.333 -2.024 9.671 1.00 72.25 H new ATOM 0 HG23 ILE A 5 5.983 -0.961 10.135 1.00 72.25 H new ATOM 0 HD11 ILE A 5 2.440 -2.843 8.723 1.00 71.11 H new ATOM 0 HD12 ILE A 5 3.801 -3.900 8.279 1.00 71.11 H new ATOM 0 HD13 ILE A 5 3.802 -3.059 9.848 1.00 71.11 H new ATOM 82 N GLY A 6 6.625 -1.904 5.321 1.00 40.44 N ATOM 83 CA GLY A 6 6.369 -2.116 3.914 1.00 73.52 C ATOM 84 C GLY A 6 4.932 -2.518 3.655 1.00 44.02 C ATOM 85 O GLY A 6 4.334 -3.239 4.454 1.00 72.11 O ATOM 0 H GLY A 6 7.245 -2.588 5.755 1.00 40.44 H new ATOM 0 HA2 GLY A 6 6.596 -1.204 3.362 1.00 73.52 H new ATOM 0 HA3 GLY A 6 7.036 -2.891 3.536 1.00 73.52 H new ATOM 89 N LEU A 7 4.382 -2.044 2.546 1.00 42.02 N ATOM 90 CA LEU A 7 3.013 -2.366 2.155 1.00 25.55 C ATOM 91 C LEU A 7 2.855 -3.881 2.018 1.00 73.12 C ATOM 92 O LEU A 7 1.816 -4.446 2.353 1.00 24.35 O ATOM 93 CB LEU A 7 2.673 -1.645 0.836 1.00 74.42 C ATOM 94 CG LEU A 7 1.185 -1.549 0.458 1.00 13.12 C ATOM 95 CD1 LEU A 7 0.655 -2.877 -0.063 1.00 34.03 C ATOM 96 CD2 LEU A 7 0.361 -1.078 1.646 1.00 33.21 C ATOM 0 H LEU A 7 4.868 -1.428 1.894 1.00 42.02 H new ATOM 0 HA LEU A 7 2.318 -2.024 2.922 1.00 25.55 H new ATOM 0 HB2 LEU A 7 3.075 -0.633 0.889 1.00 74.42 H new ATOM 0 HB3 LEU A 7 3.196 -2.154 0.027 1.00 74.42 H new ATOM 0 HG LEU A 7 1.095 -0.816 -0.344 1.00 13.12 H new ATOM 0 HD11 LEU A 7 -0.399 -2.772 -0.320 1.00 34.03 H new ATOM 0 HD12 LEU A 7 1.217 -3.171 -0.949 1.00 34.03 H new ATOM 0 HD13 LEU A 7 0.766 -3.640 0.707 1.00 34.03 H new ATOM 0 HD21 LEU A 7 -0.689 -1.016 1.359 1.00 33.21 H new ATOM 0 HD22 LEU A 7 0.471 -1.785 2.468 1.00 33.21 H new ATOM 0 HD23 LEU A 7 0.709 -0.095 1.963 1.00 33.21 H new ATOM 108 N ASN A 8 3.918 -4.532 1.567 1.00 12.21 N ATOM 109 CA ASN A 8 3.922 -5.980 1.388 1.00 33.30 C ATOM 110 C ASN A 8 3.896 -6.709 2.734 1.00 45.22 C ATOM 111 O ASN A 8 3.616 -7.907 2.791 1.00 12.33 O ATOM 112 CB ASN A 8 5.149 -6.417 0.573 1.00 11.22 C ATOM 113 CG ASN A 8 6.481 -6.101 1.249 1.00 25.32 C ATOM 114 OD1 ASN A 8 6.605 -5.129 1.999 1.00 44.20 O ATOM 115 ND2 ASN A 8 7.490 -6.917 0.979 1.00 13.31 N ATOM 0 H ASN A 8 4.796 -4.077 1.316 1.00 12.21 H new ATOM 0 HA ASN A 8 3.018 -6.249 0.841 1.00 33.30 H new ATOM 0 HB2 ASN A 8 5.090 -7.490 0.391 1.00 11.22 H new ATOM 0 HB3 ASN A 8 5.121 -5.927 -0.400 1.00 11.22 H new ATOM 0 HD21 ASN A 8 8.406 -6.751 1.396 1.00 13.31 H new ATOM 0 HD22 ASN A 8 7.351 -7.711 0.354 1.00 13.31 H new ATOM 122 N GLU A 9 4.170 -5.979 3.813 1.00 3.30 N ATOM 123 CA GLU A 9 4.223 -6.557 5.147 1.00 33.31 C ATOM 124 C GLU A 9 2.897 -6.373 5.879 1.00 23.45 C ATOM 125 O GLU A 9 2.729 -6.839 7.008 1.00 73.24 O ATOM 126 CB GLU A 9 5.344 -5.903 5.950 1.00 43.42 C ATOM 127 CG GLU A 9 6.724 -6.109 5.359 1.00 61.22 C ATOM 128 CD GLU A 9 7.809 -5.481 6.203 1.00 44.34 C ATOM 129 OE1 GLU A 9 8.308 -6.154 7.131 1.00 60.43 O ATOM 130 OE2 GLU A 9 8.169 -4.313 5.942 1.00 3.11 O ATOM 0 H GLU A 9 4.360 -4.977 3.785 1.00 3.30 H new ATOM 0 HA GLU A 9 4.416 -7.625 5.047 1.00 33.31 H new ATOM 0 HB2 GLU A 9 5.148 -4.833 6.025 1.00 43.42 H new ATOM 0 HB3 GLU A 9 5.331 -6.301 6.965 1.00 43.42 H new ATOM 0 HG2 GLU A 9 6.918 -7.177 5.258 1.00 61.22 H new ATOM 0 HG3 GLU A 9 6.755 -5.683 4.356 1.00 61.22 H new ATOM 137 N VAL A 10 1.964 -5.691 5.236 1.00 2.34 N ATOM 138 CA VAL A 10 0.672 -5.412 5.842 1.00 24.22 C ATOM 139 C VAL A 10 -0.321 -6.523 5.503 1.00 51.01 C ATOM 140 O VAL A 10 -0.129 -7.271 4.542 1.00 34.21 O ATOM 141 CB VAL A 10 0.118 -4.044 5.373 1.00 1.25 C ATOM 142 CG1 VAL A 10 -1.104 -3.638 6.182 1.00 0.03 C ATOM 143 CG2 VAL A 10 1.191 -2.971 5.464 1.00 5.15 C ATOM 0 H VAL A 10 2.077 -5.320 4.293 1.00 2.34 H new ATOM 0 HA VAL A 10 0.809 -5.371 6.923 1.00 24.22 H new ATOM 0 HB VAL A 10 -0.185 -4.148 4.331 1.00 1.25 H new ATOM 0 HG11 VAL A 10 -1.470 -2.674 5.829 1.00 0.03 H new ATOM 0 HG12 VAL A 10 -1.885 -4.388 6.062 1.00 0.03 H new ATOM 0 HG13 VAL A 10 -0.834 -3.560 7.235 1.00 0.03 H new ATOM 0 HG21 VAL A 10 0.781 -2.018 5.130 1.00 5.15 H new ATOM 0 HG22 VAL A 10 1.527 -2.880 6.497 1.00 5.15 H new ATOM 0 HG23 VAL A 10 2.035 -3.245 4.831 1.00 5.15 H new ATOM 153 N GLU A 11 -1.368 -6.633 6.303 1.00 43.44 N ATOM 154 CA GLU A 11 -2.369 -7.671 6.128 1.00 44.15 C ATOM 155 C GLU A 11 -3.480 -7.183 5.205 1.00 63.11 C ATOM 156 O GLU A 11 -3.601 -5.986 4.937 1.00 4.22 O ATOM 157 CB GLU A 11 -2.944 -8.066 7.489 1.00 2.21 C ATOM 158 CG GLU A 11 -3.736 -9.361 7.489 1.00 10.41 C ATOM 159 CD GLU A 11 -4.361 -9.637 8.836 1.00 74.31 C ATOM 160 OE1 GLU A 11 -3.660 -10.144 9.734 1.00 73.12 O ATOM 161 OE2 GLU A 11 -5.555 -9.323 9.016 1.00 72.03 O ATOM 0 H GLU A 11 -1.548 -6.008 7.089 1.00 43.44 H new ATOM 0 HA GLU A 11 -1.902 -8.544 5.673 1.00 44.15 H new ATOM 0 HB2 GLU A 11 -2.125 -8.157 8.202 1.00 2.21 H new ATOM 0 HB3 GLU A 11 -3.588 -7.262 7.844 1.00 2.21 H new ATOM 0 HG2 GLU A 11 -4.517 -9.310 6.730 1.00 10.41 H new ATOM 0 HG3 GLU A 11 -3.080 -10.188 7.216 1.00 10.41 H new ATOM 168 N ILE A 12 -4.296 -8.109 4.735 1.00 41.24 N ATOM 169 CA ILE A 12 -5.385 -7.777 3.830 1.00 64.24 C ATOM 170 C ILE A 12 -6.552 -7.163 4.597 1.00 41.22 C ATOM 171 O ILE A 12 -6.621 -7.273 5.822 1.00 20.35 O ATOM 172 CB ILE A 12 -5.887 -9.011 3.051 1.00 44.31 C ATOM 173 CG1 ILE A 12 -6.403 -10.085 4.016 1.00 35.24 C ATOM 174 CG2 ILE A 12 -4.780 -9.565 2.163 1.00 43.22 C ATOM 175 CD1 ILE A 12 -7.052 -11.263 3.321 1.00 44.51 C ATOM 0 H ILE A 12 -4.226 -9.100 4.965 1.00 41.24 H new ATOM 0 HA ILE A 12 -4.991 -7.055 3.114 1.00 64.24 H new ATOM 0 HB ILE A 12 -6.716 -8.705 2.413 1.00 44.31 H new ATOM 0 HG12 ILE A 12 -5.573 -10.445 4.624 1.00 35.24 H new ATOM 0 HG13 ILE A 12 -7.124 -9.633 4.697 1.00 35.24 H new ATOM 0 HG21 ILE A 12 -5.150 -10.435 1.620 1.00 43.22 H new ATOM 0 HG22 ILE A 12 -4.467 -8.800 1.452 1.00 43.22 H new ATOM 0 HG23 ILE A 12 -3.930 -9.857 2.780 1.00 43.22 H new ATOM 0 HD11 ILE A 12 -7.393 -11.982 4.066 1.00 44.51 H new ATOM 0 HD12 ILE A 12 -7.903 -10.916 2.735 1.00 44.51 H new ATOM 0 HD13 ILE A 12 -6.328 -11.740 2.661 1.00 44.51 H new ATOM 187 N LYS A 13 -7.444 -6.503 3.866 1.00 64.24 N ATOM 188 CA LYS A 13 -8.647 -5.887 4.432 1.00 24.44 C ATOM 189 C LYS A 13 -8.283 -4.825 5.468 1.00 63.31 C ATOM 190 O LYS A 13 -9.039 -4.558 6.405 1.00 23.00 O ATOM 191 CB LYS A 13 -9.567 -6.955 5.031 1.00 13.11 C ATOM 192 CG LYS A 13 -9.966 -8.025 4.024 1.00 63.44 C ATOM 193 CD LYS A 13 -11.027 -8.963 4.574 1.00 74.14 C ATOM 194 CE LYS A 13 -12.355 -8.249 4.774 1.00 70.22 C ATOM 195 NZ LYS A 13 -13.456 -9.207 5.046 1.00 53.12 N ATOM 0 H LYS A 13 -7.356 -6.378 2.858 1.00 64.24 H new ATOM 0 HA LYS A 13 -9.188 -5.389 3.627 1.00 24.44 H new ATOM 0 HB2 LYS A 13 -9.066 -7.427 5.876 1.00 13.11 H new ATOM 0 HB3 LYS A 13 -10.466 -6.476 5.421 1.00 13.11 H new ATOM 0 HG2 LYS A 13 -10.340 -7.548 3.118 1.00 63.44 H new ATOM 0 HG3 LYS A 13 -9.085 -8.601 3.741 1.00 63.44 H new ATOM 0 HD2 LYS A 13 -11.163 -9.801 3.890 1.00 74.14 H new ATOM 0 HD3 LYS A 13 -10.690 -9.378 5.524 1.00 74.14 H new ATOM 0 HE2 LYS A 13 -12.270 -7.547 5.603 1.00 70.22 H new ATOM 0 HE3 LYS A 13 -12.592 -7.665 3.885 1.00 70.22 H new ATOM 0 HZ1 LYS A 13 -14.346 -8.685 5.177 1.00 53.12 H new ATOM 0 HZ2 LYS A 13 -13.553 -9.861 4.243 1.00 53.12 H new ATOM 0 HZ3 LYS A 13 -13.241 -9.747 5.908 1.00 53.12 H new ATOM 209 N SER A 14 -7.134 -4.200 5.269 1.00 1.01 N ATOM 210 CA SER A 14 -6.645 -3.184 6.181 1.00 34.24 C ATOM 211 C SER A 14 -6.452 -1.862 5.446 1.00 64.23 C ATOM 212 O SER A 14 -6.206 -1.841 4.237 1.00 74.21 O ATOM 213 CB SER A 14 -5.324 -3.641 6.801 1.00 22.10 C ATOM 214 OG SER A 14 -5.450 -4.933 7.374 1.00 24.12 O ATOM 0 H SER A 14 -6.519 -4.382 4.476 1.00 1.01 H new ATOM 0 HA SER A 14 -7.379 -3.035 6.973 1.00 34.24 H new ATOM 0 HB2 SER A 14 -4.545 -3.652 6.039 1.00 22.10 H new ATOM 0 HB3 SER A 14 -5.012 -2.929 7.565 1.00 22.10 H new ATOM 0 HG SER A 14 -5.696 -5.577 6.678 1.00 24.12 H new ATOM 220 N LYS A 15 -6.582 -0.767 6.175 1.00 64.41 N ATOM 221 CA LYS A 15 -6.393 0.555 5.604 1.00 73.20 C ATOM 222 C LYS A 15 -5.107 1.168 6.143 1.00 11.13 C ATOM 223 O LYS A 15 -4.892 1.214 7.356 1.00 55.33 O ATOM 224 CB LYS A 15 -7.587 1.457 5.929 1.00 1.44 C ATOM 225 CG LYS A 15 -7.596 2.758 5.138 1.00 72.15 C ATOM 226 CD LYS A 15 -8.738 3.671 5.559 1.00 62.22 C ATOM 227 CE LYS A 15 -8.839 4.892 4.654 1.00 10.22 C ATOM 228 NZ LYS A 15 -9.891 5.842 5.102 1.00 3.30 N ATOM 0 H LYS A 15 -6.819 -0.768 7.167 1.00 64.41 H new ATOM 0 HA LYS A 15 -6.319 0.463 4.520 1.00 73.20 H new ATOM 0 HB2 LYS A 15 -8.509 0.912 5.728 1.00 1.44 H new ATOM 0 HB3 LYS A 15 -7.579 1.688 6.994 1.00 1.44 H new ATOM 0 HG2 LYS A 15 -6.647 3.275 5.279 1.00 72.15 H new ATOM 0 HG3 LYS A 15 -7.682 2.535 4.074 1.00 72.15 H new ATOM 0 HD2 LYS A 15 -9.677 3.118 5.531 1.00 62.22 H new ATOM 0 HD3 LYS A 15 -8.587 3.992 6.590 1.00 62.22 H new ATOM 0 HE2 LYS A 15 -7.877 5.404 4.630 1.00 10.22 H new ATOM 0 HE3 LYS A 15 -9.054 4.569 3.635 1.00 10.22 H new ATOM 0 HZ1 LYS A 15 -9.922 6.656 4.455 1.00 3.30 H new ATOM 0 HZ2 LYS A 15 -10.814 5.363 5.100 1.00 3.30 H new ATOM 0 HZ3 LYS A 15 -9.674 6.172 6.064 1.00 3.30 H new ATOM 242 N VAL A 16 -4.252 1.617 5.243 1.00 2.44 N ATOM 243 CA VAL A 16 -2.980 2.209 5.625 1.00 44.04 C ATOM 244 C VAL A 16 -2.780 3.559 4.952 1.00 63.00 C ATOM 245 O VAL A 16 -3.581 3.973 4.112 1.00 12.43 O ATOM 246 CB VAL A 16 -1.798 1.280 5.279 1.00 13.54 C ATOM 247 CG1 VAL A 16 -1.834 0.021 6.130 1.00 52.40 C ATOM 248 CG2 VAL A 16 -1.808 0.924 3.803 1.00 51.03 C ATOM 0 H VAL A 16 -4.415 1.583 4.237 1.00 2.44 H new ATOM 0 HA VAL A 16 -3.007 2.351 6.705 1.00 44.04 H new ATOM 0 HB VAL A 16 -0.873 1.815 5.497 1.00 13.54 H new ATOM 0 HG11 VAL A 16 -0.991 -0.619 5.869 1.00 52.40 H new ATOM 0 HG12 VAL A 16 -1.771 0.292 7.184 1.00 52.40 H new ATOM 0 HG13 VAL A 16 -2.766 -0.514 5.949 1.00 52.40 H new ATOM 0 HG21 VAL A 16 -0.966 0.268 3.581 1.00 51.03 H new ATOM 0 HG22 VAL A 16 -2.740 0.414 3.558 1.00 51.03 H new ATOM 0 HG23 VAL A 16 -1.726 1.834 3.209 1.00 51.03 H new ATOM 258 N LYS A 17 -1.717 4.242 5.334 1.00 32.52 N ATOM 259 CA LYS A 17 -1.426 5.568 4.816 1.00 32.42 C ATOM 260 C LYS A 17 -0.022 5.626 4.253 1.00 31.22 C ATOM 261 O LYS A 17 0.912 5.082 4.836 1.00 63.42 O ATOM 262 CB LYS A 17 -1.559 6.597 5.926 1.00 4.24 C ATOM 263 CG LYS A 17 -1.178 8.015 5.530 1.00 2.44 C ATOM 264 CD LYS A 17 -0.985 8.889 6.759 1.00 3.31 C ATOM 265 CE LYS A 17 -2.260 9.003 7.580 1.00 44.35 C ATOM 266 NZ LYS A 17 -1.986 9.505 8.952 1.00 62.31 N ATOM 0 H LYS A 17 -1.034 3.897 6.008 1.00 32.52 H new ATOM 0 HA LYS A 17 -2.138 5.787 4.020 1.00 32.42 H new ATOM 0 HB2 LYS A 17 -2.590 6.598 6.280 1.00 4.24 H new ATOM 0 HB3 LYS A 17 -0.935 6.289 6.765 1.00 4.24 H new ATOM 0 HG2 LYS A 17 -0.260 7.998 4.943 1.00 2.44 H new ATOM 0 HG3 LYS A 17 -1.955 8.440 4.895 1.00 2.44 H new ATOM 0 HD2 LYS A 17 -0.190 8.474 7.379 1.00 3.31 H new ATOM 0 HD3 LYS A 17 -0.662 9.883 6.450 1.00 3.31 H new ATOM 0 HE2 LYS A 17 -2.957 9.675 7.079 1.00 44.35 H new ATOM 0 HE3 LYS A 17 -2.744 8.028 7.639 1.00 44.35 H new ATOM 0 HZ1 LYS A 17 -2.810 10.037 9.298 1.00 62.31 H new ATOM 0 HZ2 LYS A 17 -1.803 8.701 9.586 1.00 62.31 H new ATOM 0 HZ3 LYS A 17 -1.154 10.128 8.934 1.00 62.31 H new ATOM 280 N VAL A 18 0.117 6.317 3.143 1.00 43.11 N ATOM 281 CA VAL A 18 1.403 6.464 2.484 1.00 74.12 C ATOM 282 C VAL A 18 2.278 7.445 3.246 1.00 22.33 C ATOM 283 O VAL A 18 2.133 8.663 3.115 1.00 72.05 O ATOM 284 CB VAL A 18 1.255 6.940 1.024 1.00 24.00 C ATOM 285 CG1 VAL A 18 2.613 7.014 0.340 1.00 11.14 C ATOM 286 CG2 VAL A 18 0.320 6.027 0.254 1.00 51.42 C ATOM 0 H VAL A 18 -0.652 6.792 2.671 1.00 43.11 H new ATOM 0 HA VAL A 18 1.871 5.480 2.474 1.00 74.12 H new ATOM 0 HB VAL A 18 0.824 7.941 1.036 1.00 24.00 H new ATOM 0 HG11 VAL A 18 2.485 7.352 -0.688 1.00 11.14 H new ATOM 0 HG12 VAL A 18 3.252 7.716 0.875 1.00 11.14 H new ATOM 0 HG13 VAL A 18 3.076 6.027 0.343 1.00 11.14 H new ATOM 0 HG21 VAL A 18 0.230 6.381 -0.773 1.00 51.42 H new ATOM 0 HG22 VAL A 18 0.720 5.013 0.255 1.00 51.42 H new ATOM 0 HG23 VAL A 18 -0.662 6.030 0.726 1.00 51.42 H new ATOM 296 N ILE A 19 3.141 6.902 4.082 1.00 22.23 N ATOM 297 CA ILE A 19 4.078 7.705 4.849 1.00 21.31 C ATOM 298 C ILE A 19 5.398 7.850 4.111 1.00 60.32 C ATOM 299 O ILE A 19 5.884 8.959 3.897 1.00 34.04 O ATOM 300 CB ILE A 19 4.336 7.083 6.234 1.00 2.32 C ATOM 301 CG1 ILE A 19 3.042 7.072 7.046 1.00 52.13 C ATOM 302 CG2 ILE A 19 5.430 7.840 6.979 1.00 54.32 C ATOM 303 CD1 ILE A 19 2.526 8.457 7.375 1.00 31.31 C ATOM 0 H ILE A 19 3.214 5.898 4.249 1.00 22.23 H new ATOM 0 HA ILE A 19 3.630 8.690 4.980 1.00 21.31 H new ATOM 0 HB ILE A 19 4.677 6.057 6.095 1.00 2.32 H new ATOM 0 HG12 ILE A 19 2.277 6.530 6.489 1.00 52.13 H new ATOM 0 HG13 ILE A 19 3.209 6.525 7.974 1.00 52.13 H new ATOM 0 HG21 ILE A 19 5.592 7.380 7.954 1.00 54.32 H new ATOM 0 HG22 ILE A 19 6.354 7.804 6.403 1.00 54.32 H new ATOM 0 HG23 ILE A 19 5.127 8.878 7.114 1.00 54.32 H new ATOM 0 HD11 ILE A 19 1.605 8.375 7.952 1.00 31.31 H new ATOM 0 HD12 ILE A 19 3.273 8.995 7.958 1.00 31.31 H new ATOM 0 HD13 ILE A 19 2.327 9.000 6.451 1.00 31.31 H new ATOM 315 N GLY A 20 5.970 6.726 3.712 1.00 72.11 N ATOM 316 CA GLY A 20 7.264 6.756 3.080 1.00 62.22 C ATOM 317 C GLY A 20 7.304 5.985 1.788 1.00 0.33 C ATOM 318 O GLY A 20 6.464 5.121 1.528 1.00 11.13 O ATOM 0 H GLY A 20 5.560 5.798 3.815 1.00 72.11 H new ATOM 0 HA2 GLY A 20 7.545 7.792 2.888 1.00 62.22 H new ATOM 0 HA3 GLY A 20 8.007 6.346 3.765 1.00 62.22 H new ATOM 322 N ILE A 21 8.296 6.300 0.993 1.00 62.41 N ATOM 323 CA ILE A 21 8.487 5.698 -0.308 1.00 0.41 C ATOM 324 C ILE A 21 9.982 5.511 -0.519 1.00 40.02 C ATOM 325 O ILE A 21 10.776 6.172 0.149 1.00 13.55 O ATOM 326 CB ILE A 21 7.883 6.589 -1.426 1.00 63.40 C ATOM 327 CG1 ILE A 21 6.379 6.796 -1.196 1.00 72.21 C ATOM 328 CG2 ILE A 21 8.123 5.989 -2.807 1.00 22.11 C ATOM 329 CD1 ILE A 21 5.718 7.714 -2.205 1.00 71.53 C ATOM 0 H ILE A 21 9.006 6.992 1.233 1.00 62.41 H new ATOM 0 HA ILE A 21 7.976 4.736 -0.353 1.00 0.41 H new ATOM 0 HB ILE A 21 8.385 7.555 -1.385 1.00 63.40 H new ATOM 0 HG12 ILE A 21 5.882 5.826 -1.223 1.00 72.21 H new ATOM 0 HG13 ILE A 21 6.228 7.204 -0.197 1.00 72.21 H new ATOM 0 HG21 ILE A 21 7.687 6.638 -3.566 1.00 22.11 H new ATOM 0 HG22 ILE A 21 9.195 5.895 -2.982 1.00 22.11 H new ATOM 0 HG23 ILE A 21 7.659 5.004 -2.862 1.00 22.11 H new ATOM 0 HD11 ILE A 21 4.657 7.807 -1.972 1.00 71.53 H new ATOM 0 HD12 ILE A 21 6.186 8.697 -2.164 1.00 71.53 H new ATOM 0 HD13 ILE A 21 5.834 7.298 -3.206 1.00 71.53 H new ATOM 341 N VAL A 22 10.366 4.605 -1.404 1.00 51.15 N ATOM 342 CA VAL A 22 11.776 4.326 -1.661 1.00 2.00 C ATOM 343 C VAL A 22 12.241 5.028 -2.940 1.00 31.23 C ATOM 344 O VAL A 22 12.065 4.506 -4.043 1.00 22.10 O ATOM 345 CB VAL A 22 12.053 2.811 -1.775 1.00 70.11 C ATOM 346 CG1 VAL A 22 13.541 2.551 -1.956 1.00 5.40 C ATOM 347 CG2 VAL A 22 11.527 2.076 -0.554 1.00 74.12 C ATOM 0 H VAL A 22 9.720 4.046 -1.961 1.00 51.15 H new ATOM 0 HA VAL A 22 12.337 4.711 -0.809 1.00 2.00 H new ATOM 0 HB VAL A 22 11.529 2.433 -2.653 1.00 70.11 H new ATOM 0 HG11 VAL A 22 13.716 1.478 -2.034 1.00 5.40 H new ATOM 0 HG12 VAL A 22 13.888 3.043 -2.865 1.00 5.40 H new ATOM 0 HG13 VAL A 22 14.086 2.946 -1.099 1.00 5.40 H new ATOM 0 HG21 VAL A 22 11.732 1.010 -0.654 1.00 74.12 H new ATOM 0 HG22 VAL A 22 12.019 2.458 0.340 1.00 74.12 H new ATOM 0 HG23 VAL A 22 10.451 2.232 -0.471 1.00 74.12 H new ATOM 357 N PRO A 23 12.764 6.267 -2.806 1.00 53.21 N ATOM 358 CA PRO A 23 13.196 7.086 -3.945 1.00 42.14 C ATOM 359 C PRO A 23 14.253 6.397 -4.798 1.00 35.15 C ATOM 360 O PRO A 23 14.952 5.490 -4.332 1.00 52.32 O ATOM 361 CB PRO A 23 13.775 8.350 -3.296 1.00 1.04 C ATOM 362 CG PRO A 23 13.179 8.386 -1.934 1.00 65.03 C ATOM 363 CD PRO A 23 13.013 6.953 -1.526 1.00 53.11 C ATOM 0 HA PRO A 23 12.368 7.285 -4.626 1.00 42.14 H new ATOM 0 HB2 PRO A 23 14.863 8.308 -3.250 1.00 1.04 H new ATOM 0 HB3 PRO A 23 13.514 9.242 -3.866 1.00 1.04 H new ATOM 0 HG2 PRO A 23 13.826 8.919 -1.237 1.00 65.03 H new ATOM 0 HG3 PRO A 23 12.221 8.905 -1.940 1.00 65.03 H new ATOM 0 HD2 PRO A 23 13.905 6.569 -1.030 1.00 53.11 H new ATOM 0 HD3 PRO A 23 12.182 6.825 -0.832 1.00 53.11 H new ATOM 371 N GLU A 24 14.374 6.855 -6.042 1.00 50.10 N ATOM 372 CA GLU A 24 15.270 6.251 -7.019 1.00 75.43 C ATOM 373 C GLU A 24 14.847 4.809 -7.301 1.00 2.24 C ATOM 374 O GLU A 24 15.462 3.851 -6.827 1.00 1.55 O ATOM 375 CB GLU A 24 16.725 6.320 -6.540 1.00 14.31 C ATOM 376 CG GLU A 24 17.737 6.278 -7.666 1.00 15.54 C ATOM 377 CD GLU A 24 17.450 7.322 -8.724 1.00 13.42 C ATOM 378 OE1 GLU A 24 17.665 8.524 -8.460 1.00 52.13 O ATOM 379 OE2 GLU A 24 16.991 6.945 -9.821 1.00 12.42 O ATOM 0 H GLU A 24 13.852 7.656 -6.399 1.00 50.10 H new ATOM 0 HA GLU A 24 15.203 6.814 -7.950 1.00 75.43 H new ATOM 0 HB2 GLU A 24 16.867 7.237 -5.969 1.00 14.31 H new ATOM 0 HB3 GLU A 24 16.915 5.489 -5.861 1.00 14.31 H new ATOM 0 HG2 GLU A 24 18.737 6.437 -7.261 1.00 15.54 H new ATOM 0 HG3 GLU A 24 17.731 5.288 -8.122 1.00 15.54 H new ATOM 386 N SER A 25 13.764 4.677 -8.053 1.00 44.01 N ATOM 387 CA SER A 25 13.185 3.385 -8.360 1.00 62.34 C ATOM 388 C SER A 25 12.315 3.498 -9.603 1.00 44.13 C ATOM 389 O SER A 25 11.781 4.571 -9.896 1.00 41.24 O ATOM 390 CB SER A 25 12.341 2.907 -7.177 1.00 52.32 C ATOM 391 OG SER A 25 11.848 1.593 -7.383 1.00 31.30 O ATOM 0 H SER A 25 13.265 5.465 -8.466 1.00 44.01 H new ATOM 0 HA SER A 25 13.982 2.665 -8.545 1.00 62.34 H new ATOM 0 HB2 SER A 25 12.941 2.932 -6.268 1.00 52.32 H new ATOM 0 HB3 SER A 25 11.505 3.590 -7.026 1.00 52.32 H new ATOM 0 HG SER A 25 11.733 1.147 -6.518 1.00 31.30 H new ATOM 397 N LYS A 26 12.157 2.396 -10.323 1.00 72.15 N ATOM 398 CA LYS A 26 11.298 2.378 -11.500 1.00 31.40 C ATOM 399 C LYS A 26 9.835 2.517 -11.091 1.00 42.35 C ATOM 400 O LYS A 26 8.995 2.938 -11.886 1.00 32.13 O ATOM 401 CB LYS A 26 11.505 1.095 -12.313 1.00 31.31 C ATOM 402 CG LYS A 26 11.215 -0.186 -11.541 1.00 32.32 C ATOM 403 CD LYS A 26 11.445 -1.423 -12.396 1.00 10.32 C ATOM 404 CE LYS A 26 12.883 -1.516 -12.887 1.00 53.35 C ATOM 405 NZ LYS A 26 13.857 -1.615 -11.763 1.00 34.31 N ATOM 0 H LYS A 26 12.610 1.506 -10.115 1.00 72.15 H new ATOM 0 HA LYS A 26 11.569 3.225 -12.130 1.00 31.40 H new ATOM 0 HB2 LYS A 26 10.864 1.129 -13.194 1.00 31.31 H new ATOM 0 HB3 LYS A 26 12.535 1.066 -12.670 1.00 31.31 H new ATOM 0 HG2 LYS A 26 11.852 -0.231 -10.658 1.00 32.32 H new ATOM 0 HG3 LYS A 26 10.183 -0.173 -11.190 1.00 32.32 H new ATOM 0 HD2 LYS A 26 11.201 -2.314 -11.818 1.00 10.32 H new ATOM 0 HD3 LYS A 26 10.770 -1.403 -13.252 1.00 10.32 H new ATOM 0 HE2 LYS A 26 12.988 -2.387 -13.534 1.00 53.35 H new ATOM 0 HE3 LYS A 26 13.116 -0.639 -13.491 1.00 53.35 H new ATOM 0 HZ1 LYS A 26 14.802 -1.829 -12.141 1.00 34.31 H new ATOM 0 HZ2 LYS A 26 13.886 -0.712 -11.248 1.00 34.31 H new ATOM 0 HZ3 LYS A 26 13.563 -2.374 -11.115 1.00 34.31 H new ATOM 419 N VAL A 27 9.532 2.168 -9.845 1.00 14.21 N ATOM 420 CA VAL A 27 8.177 2.303 -9.332 1.00 20.22 C ATOM 421 C VAL A 27 8.016 3.619 -8.573 1.00 63.24 C ATOM 422 O VAL A 27 6.904 4.108 -8.396 1.00 71.42 O ATOM 423 CB VAL A 27 7.776 1.123 -8.418 1.00 63.21 C ATOM 424 CG1 VAL A 27 7.895 -0.197 -9.164 1.00 72.24 C ATOM 425 CG2 VAL A 27 8.615 1.102 -7.150 1.00 45.32 C ATOM 0 H VAL A 27 10.204 1.792 -9.176 1.00 14.21 H new ATOM 0 HA VAL A 27 7.512 2.297 -10.196 1.00 20.22 H new ATOM 0 HB VAL A 27 6.735 1.261 -8.128 1.00 63.21 H new ATOM 0 HG11 VAL A 27 7.608 -1.015 -8.503 1.00 72.24 H new ATOM 0 HG12 VAL A 27 7.237 -0.184 -10.033 1.00 72.24 H new ATOM 0 HG13 VAL A 27 8.925 -0.339 -9.491 1.00 72.24 H new ATOM 0 HG21 VAL A 27 8.311 0.261 -6.526 1.00 45.32 H new ATOM 0 HG22 VAL A 27 9.668 0.997 -7.412 1.00 45.32 H new ATOM 0 HG23 VAL A 27 8.469 2.032 -6.601 1.00 45.32 H new ATOM 435 N ARG A 28 9.140 4.190 -8.141 1.00 41.25 N ATOM 436 CA ARG A 28 9.151 5.485 -7.455 1.00 14.03 C ATOM 437 C ARG A 28 8.363 6.528 -8.240 1.00 61.11 C ATOM 438 O ARG A 28 7.439 7.151 -7.710 1.00 12.20 O ATOM 439 CB ARG A 28 10.600 5.950 -7.261 1.00 20.32 C ATOM 440 CG ARG A 28 10.766 7.401 -6.823 1.00 22.23 C ATOM 441 CD ARG A 28 10.273 7.646 -5.406 1.00 74.13 C ATOM 442 NE ARG A 28 8.865 8.033 -5.353 1.00 62.23 N ATOM 443 CZ ARG A 28 8.441 9.201 -4.868 1.00 23.35 C ATOM 444 NH1 ARG A 28 9.320 10.129 -4.510 1.00 41.21 N ATOM 445 NH2 ARG A 28 7.142 9.450 -4.768 1.00 74.13 N ATOM 0 H ARG A 28 10.064 3.773 -8.255 1.00 41.25 H new ATOM 0 HA ARG A 28 8.674 5.367 -6.482 1.00 14.03 H new ATOM 0 HB2 ARG A 28 11.074 5.307 -6.519 1.00 20.32 H new ATOM 0 HB3 ARG A 28 11.139 5.807 -8.198 1.00 20.32 H new ATOM 0 HG2 ARG A 28 11.818 7.679 -6.890 1.00 22.23 H new ATOM 0 HG3 ARG A 28 10.221 8.048 -7.510 1.00 22.23 H new ATOM 0 HD2 ARG A 28 10.419 6.742 -4.815 1.00 74.13 H new ATOM 0 HD3 ARG A 28 10.877 8.428 -4.947 1.00 74.13 H new ATOM 0 HE ARG A 28 8.170 7.375 -5.705 1.00 62.23 H new ATOM 0 HH11 ARG A 28 10.319 9.949 -4.606 1.00 41.21 H new ATOM 0 HH12 ARG A 28 8.996 11.022 -4.139 1.00 41.21 H new ATOM 0 HH21 ARG A 28 6.464 8.747 -5.062 1.00 74.13 H new ATOM 0 HH22 ARG A 28 6.821 10.344 -4.397 1.00 74.13 H new ATOM 459 N ARG A 29 8.725 6.699 -9.504 1.00 61.41 N ATOM 460 CA ARG A 29 8.062 7.659 -10.366 1.00 20.03 C ATOM 461 C ARG A 29 6.614 7.261 -10.613 1.00 63.22 C ATOM 462 O ARG A 29 5.733 8.113 -10.659 1.00 12.33 O ATOM 463 CB ARG A 29 8.800 7.779 -11.699 1.00 45.40 C ATOM 464 CG ARG A 29 10.111 8.540 -11.613 1.00 13.50 C ATOM 465 CD ARG A 29 10.769 8.661 -12.977 1.00 45.32 C ATOM 466 NE ARG A 29 11.932 9.546 -12.947 1.00 22.35 N ATOM 467 CZ ARG A 29 12.969 9.448 -13.781 1.00 3.32 C ATOM 468 NH1 ARG A 29 13.002 8.491 -14.702 1.00 21.21 N ATOM 469 NH2 ARG A 29 13.972 10.314 -13.699 1.00 42.21 N ATOM 0 H ARG A 29 9.479 6.180 -9.954 1.00 61.41 H new ATOM 0 HA ARG A 29 8.075 8.626 -9.862 1.00 20.03 H new ATOM 0 HB2 ARG A 29 8.997 6.779 -12.085 1.00 45.40 H new ATOM 0 HB3 ARG A 29 8.150 8.276 -12.419 1.00 45.40 H new ATOM 0 HG2 ARG A 29 9.931 9.534 -11.204 1.00 13.50 H new ATOM 0 HG3 ARG A 29 10.786 8.030 -10.925 1.00 13.50 H new ATOM 0 HD2 ARG A 29 11.074 7.673 -13.321 1.00 45.32 H new ATOM 0 HD3 ARG A 29 10.044 9.040 -13.697 1.00 45.32 H new ATOM 0 HE ARG A 29 11.952 10.285 -12.244 1.00 22.35 H new ATOM 0 HH11 ARG A 29 12.232 7.826 -14.774 1.00 21.21 H new ATOM 0 HH12 ARG A 29 13.797 8.421 -15.337 1.00 21.21 H new ATOM 0 HH21 ARG A 29 13.950 11.055 -12.998 1.00 42.21 H new ATOM 0 HH22 ARG A 29 14.764 10.239 -14.337 1.00 42.21 H new ATOM 483 N LYS A 30 6.374 5.962 -10.739 1.00 44.22 N ATOM 484 CA LYS A 30 5.057 5.459 -11.102 1.00 44.03 C ATOM 485 C LYS A 30 4.036 5.741 -10.004 1.00 53.14 C ATOM 486 O LYS A 30 2.929 6.194 -10.279 1.00 21.50 O ATOM 487 CB LYS A 30 5.121 3.958 -11.383 1.00 2.20 C ATOM 488 CG LYS A 30 4.044 3.480 -12.341 1.00 54.44 C ATOM 489 CD LYS A 30 4.215 4.124 -13.706 1.00 13.43 C ATOM 490 CE LYS A 30 3.147 3.671 -14.687 1.00 22.52 C ATOM 491 NZ LYS A 30 3.406 4.189 -16.054 1.00 22.12 N ATOM 0 H LYS A 30 7.077 5.237 -10.595 1.00 44.22 H new ATOM 0 HA LYS A 30 4.738 5.979 -12.005 1.00 44.03 H new ATOM 0 HB2 LYS A 30 6.100 3.714 -11.796 1.00 2.20 H new ATOM 0 HB3 LYS A 30 5.028 3.415 -10.442 1.00 2.20 H new ATOM 0 HG2 LYS A 30 4.091 2.395 -12.437 1.00 54.44 H new ATOM 0 HG3 LYS A 30 3.060 3.722 -11.940 1.00 54.44 H new ATOM 0 HD2 LYS A 30 4.176 5.208 -13.603 1.00 13.43 H new ATOM 0 HD3 LYS A 30 5.200 3.877 -14.103 1.00 13.43 H new ATOM 0 HE2 LYS A 30 3.112 2.582 -14.711 1.00 22.52 H new ATOM 0 HE3 LYS A 30 2.170 4.014 -14.346 1.00 22.52 H new ATOM 0 HZ1 LYS A 30 2.658 3.860 -16.697 1.00 22.12 H new ATOM 0 HZ2 LYS A 30 3.415 5.229 -16.035 1.00 22.12 H new ATOM 0 HZ3 LYS A 30 4.327 3.841 -16.388 1.00 22.12 H new ATOM 505 N ILE A 31 4.422 5.483 -8.760 1.00 75.12 N ATOM 506 CA ILE A 31 3.535 5.703 -7.618 1.00 54.05 C ATOM 507 C ILE A 31 3.114 7.167 -7.532 1.00 5.35 C ATOM 508 O ILE A 31 1.934 7.475 -7.355 1.00 44.33 O ATOM 509 CB ILE A 31 4.216 5.288 -6.294 1.00 23.50 C ATOM 510 CG1 ILE A 31 4.626 3.814 -6.347 1.00 70.14 C ATOM 511 CG2 ILE A 31 3.294 5.535 -5.106 1.00 73.25 C ATOM 512 CD1 ILE A 31 5.487 3.377 -5.181 1.00 61.20 C ATOM 0 H ILE A 31 5.343 5.121 -8.514 1.00 75.12 H new ATOM 0 HA ILE A 31 2.651 5.083 -7.770 1.00 54.05 H new ATOM 0 HB ILE A 31 5.109 5.899 -6.166 1.00 23.50 H new ATOM 0 HG12 ILE A 31 3.728 3.197 -6.374 1.00 70.14 H new ATOM 0 HG13 ILE A 31 5.167 3.630 -7.275 1.00 70.14 H new ATOM 0 HG21 ILE A 31 3.797 5.235 -4.187 1.00 73.25 H new ATOM 0 HG22 ILE A 31 3.044 6.595 -5.054 1.00 73.25 H new ATOM 0 HG23 ILE A 31 2.381 4.952 -5.227 1.00 73.25 H new ATOM 0 HD11 ILE A 31 5.737 2.322 -5.289 1.00 61.20 H new ATOM 0 HD12 ILE A 31 6.403 3.967 -5.164 1.00 61.20 H new ATOM 0 HD13 ILE A 31 4.941 3.527 -4.249 1.00 61.20 H new ATOM 524 N MET A 32 4.078 8.066 -7.680 1.00 64.40 N ATOM 525 CA MET A 32 3.794 9.495 -7.607 1.00 22.23 C ATOM 526 C MET A 32 3.036 9.957 -8.846 1.00 71.42 C ATOM 527 O MET A 32 2.187 10.846 -8.773 1.00 15.45 O ATOM 528 CB MET A 32 5.086 10.295 -7.448 1.00 21.11 C ATOM 529 CG MET A 32 4.977 11.418 -6.426 1.00 40.35 C ATOM 530 SD MET A 32 6.552 12.237 -6.125 1.00 63.12 S ATOM 531 CE MET A 32 6.083 13.439 -4.881 1.00 62.31 C ATOM 0 H MET A 32 5.057 7.835 -7.850 1.00 64.40 H new ATOM 0 HA MET A 32 3.168 9.671 -6.732 1.00 22.23 H new ATOM 0 HB2 MET A 32 5.889 9.620 -7.152 1.00 21.11 H new ATOM 0 HB3 MET A 32 5.365 10.717 -8.413 1.00 21.11 H new ATOM 0 HG2 MET A 32 4.251 12.152 -6.775 1.00 40.35 H new ATOM 0 HG3 MET A 32 4.597 11.014 -5.488 1.00 40.35 H new ATOM 0 HE1 MET A 32 6.966 13.988 -4.554 1.00 62.31 H new ATOM 0 HE2 MET A 32 5.358 14.135 -5.303 1.00 62.31 H new ATOM 0 HE3 MET A 32 5.639 12.926 -4.028 1.00 62.31 H new ATOM 541 N ASP A 33 3.332 9.331 -9.976 1.00 4.51 N ATOM 542 CA ASP A 33 2.662 9.648 -11.233 1.00 12.13 C ATOM 543 C ASP A 33 1.201 9.213 -11.172 1.00 42.44 C ATOM 544 O ASP A 33 0.344 9.764 -11.864 1.00 32.40 O ATOM 545 CB ASP A 33 3.379 8.957 -12.399 1.00 50.22 C ATOM 546 CG ASP A 33 2.863 9.390 -13.755 1.00 62.44 C ATOM 547 OD1 ASP A 33 3.149 10.535 -14.169 1.00 63.13 O ATOM 548 OD2 ASP A 33 2.188 8.579 -14.426 1.00 10.21 O ATOM 0 H ASP A 33 4.036 8.596 -10.050 1.00 4.51 H new ATOM 0 HA ASP A 33 2.697 10.726 -11.392 1.00 12.13 H new ATOM 0 HB2 ASP A 33 4.446 9.170 -12.338 1.00 50.22 H new ATOM 0 HB3 ASP A 33 3.263 7.878 -12.301 1.00 50.22 H new ATOM 553 N MET A 34 0.924 8.234 -10.315 1.00 14.24 N ATOM 554 CA MET A 34 -0.436 7.736 -10.111 1.00 35.34 C ATOM 555 C MET A 34 -1.236 8.657 -9.190 1.00 63.44 C ATOM 556 O MET A 34 -2.387 8.376 -8.862 1.00 31.12 O ATOM 557 CB MET A 34 -0.408 6.315 -9.534 1.00 10.12 C ATOM 558 CG MET A 34 -0.044 5.246 -10.554 1.00 33.21 C ATOM 559 SD MET A 34 -0.240 3.567 -9.913 1.00 54.32 S ATOM 560 CE MET A 34 0.840 3.613 -8.489 1.00 54.52 C ATOM 0 H MET A 34 1.629 7.766 -9.746 1.00 14.24 H new ATOM 0 HA MET A 34 -0.928 7.717 -11.083 1.00 35.34 H new ATOM 0 HB2 MET A 34 0.308 6.280 -8.713 1.00 10.12 H new ATOM 0 HB3 MET A 34 -1.387 6.084 -9.113 1.00 10.12 H new ATOM 0 HG2 MET A 34 -0.669 5.367 -11.439 1.00 33.21 H new ATOM 0 HG3 MET A 34 0.989 5.390 -10.871 1.00 33.21 H new ATOM 0 HE1 MET A 34 0.757 2.676 -7.939 1.00 54.52 H new ATOM 0 HE2 MET A 34 1.870 3.750 -8.818 1.00 54.52 H new ATOM 0 HE3 MET A 34 0.553 4.441 -7.841 1.00 54.52 H new ATOM 570 N GLY A 35 -0.617 9.753 -8.770 1.00 22.13 N ATOM 571 CA GLY A 35 -1.314 10.732 -7.961 1.00 12.33 C ATOM 572 C GLY A 35 -1.007 10.598 -6.487 1.00 2.42 C ATOM 573 O GLY A 35 -1.396 11.451 -5.686 1.00 21.05 O ATOM 0 H GLY A 35 0.356 9.981 -8.976 1.00 22.13 H new ATOM 0 HA2 GLY A 35 -1.041 11.733 -8.295 1.00 12.33 H new ATOM 0 HA3 GLY A 35 -2.388 10.626 -8.115 1.00 12.33 H new ATOM 577 N ILE A 36 -0.303 9.538 -6.125 1.00 32.43 N ATOM 578 CA ILE A 36 0.041 9.292 -4.733 1.00 61.43 C ATOM 579 C ILE A 36 1.260 10.116 -4.334 1.00 72.21 C ATOM 580 O ILE A 36 2.224 10.222 -5.089 1.00 31.12 O ATOM 581 CB ILE A 36 0.331 7.800 -4.481 1.00 74.20 C ATOM 582 CG1 ILE A 36 -0.849 6.948 -4.948 1.00 4.33 C ATOM 583 CG2 ILE A 36 0.613 7.547 -3.007 1.00 24.23 C ATOM 584 CD1 ILE A 36 -0.584 5.458 -4.893 1.00 20.33 C ATOM 0 H ILE A 36 0.042 8.833 -6.776 1.00 32.43 H new ATOM 0 HA ILE A 36 -0.816 9.587 -4.127 1.00 61.43 H new ATOM 0 HB ILE A 36 1.217 7.520 -5.052 1.00 74.20 H new ATOM 0 HG12 ILE A 36 -1.718 7.177 -4.330 1.00 4.33 H new ATOM 0 HG13 ILE A 36 -1.103 7.225 -5.971 1.00 4.33 H new ATOM 0 HG21 ILE A 36 0.815 6.487 -2.852 1.00 24.23 H new ATOM 0 HG22 ILE A 36 1.480 8.131 -2.697 1.00 24.23 H new ATOM 0 HG23 ILE A 36 -0.254 7.842 -2.415 1.00 24.23 H new ATOM 0 HD11 ILE A 36 -1.466 4.919 -5.239 1.00 20.33 H new ATOM 0 HD12 ILE A 36 0.264 5.215 -5.533 1.00 20.33 H new ATOM 0 HD13 ILE A 36 -0.359 5.166 -3.867 1.00 20.33 H new ATOM 596 N VAL A 37 1.207 10.701 -3.149 1.00 21.21 N ATOM 597 CA VAL A 37 2.306 11.519 -2.654 1.00 72.03 C ATOM 598 C VAL A 37 2.646 11.168 -1.204 1.00 55.14 C ATOM 599 O VAL A 37 3.529 10.350 -0.952 1.00 4.20 O ATOM 600 CB VAL A 37 2.007 13.034 -2.797 1.00 54.24 C ATOM 601 CG1 VAL A 37 2.295 13.499 -4.216 1.00 55.23 C ATOM 602 CG2 VAL A 37 0.559 13.352 -2.435 1.00 72.31 C ATOM 0 H VAL A 37 0.415 10.626 -2.510 1.00 21.21 H new ATOM 0 HA VAL A 37 3.175 11.296 -3.272 1.00 72.03 H new ATOM 0 HB VAL A 37 2.658 13.566 -2.103 1.00 54.24 H new ATOM 0 HG11 VAL A 37 2.080 14.564 -4.300 1.00 55.23 H new ATOM 0 HG12 VAL A 37 3.344 13.321 -4.451 1.00 55.23 H new ATOM 0 HG13 VAL A 37 1.667 12.946 -4.915 1.00 55.23 H new ATOM 0 HG21 VAL A 37 0.383 14.422 -2.546 1.00 72.31 H new ATOM 0 HG22 VAL A 37 -0.111 12.803 -3.097 1.00 72.31 H new ATOM 0 HG23 VAL A 37 0.369 13.058 -1.403 1.00 72.31 H new ATOM 612 N ARG A 38 1.937 11.772 -0.262 1.00 61.35 N ATOM 613 CA ARG A 38 2.101 11.463 1.147 1.00 11.54 C ATOM 614 C ARG A 38 0.803 11.765 1.873 1.00 73.21 C ATOM 615 O ARG A 38 0.121 12.743 1.561 1.00 32.54 O ATOM 616 CB ARG A 38 3.256 12.258 1.770 1.00 72.01 C ATOM 617 CG ARG A 38 3.454 11.965 3.251 1.00 33.43 C ATOM 618 CD ARG A 38 4.600 12.766 3.847 1.00 51.24 C ATOM 619 NE ARG A 38 5.901 12.360 3.312 1.00 61.53 N ATOM 620 CZ ARG A 38 6.918 11.938 4.067 1.00 10.01 C ATOM 621 NH1 ARG A 38 6.773 11.789 5.379 1.00 41.53 N ATOM 622 NH2 ARG A 38 8.079 11.639 3.505 1.00 31.33 N ATOM 0 H ARG A 38 1.235 12.487 -0.453 1.00 61.35 H new ATOM 0 HA ARG A 38 2.346 10.405 1.245 1.00 11.54 H new ATOM 0 HB2 ARG A 38 4.177 12.029 1.234 1.00 72.01 H new ATOM 0 HB3 ARG A 38 3.068 13.324 1.639 1.00 72.01 H new ATOM 0 HG2 ARG A 38 2.535 12.193 3.791 1.00 33.43 H new ATOM 0 HG3 ARG A 38 3.648 10.901 3.386 1.00 33.43 H new ATOM 0 HD2 ARG A 38 4.442 13.826 3.646 1.00 51.24 H new ATOM 0 HD3 ARG A 38 4.601 12.643 4.930 1.00 51.24 H new ATOM 0 HE ARG A 38 6.039 12.402 2.302 1.00 61.53 H new ATOM 0 HH11 ARG A 38 5.877 11.998 5.820 1.00 41.53 H new ATOM 0 HH12 ARG A 38 7.557 11.466 5.945 1.00 41.53 H new ATOM 0 HH21 ARG A 38 8.196 11.731 2.496 1.00 31.33 H new ATOM 0 HH22 ARG A 38 8.856 11.317 4.081 1.00 31.33 H new ATOM 636 N GLY A 39 0.447 10.911 2.816 1.00 63.33 N ATOM 637 CA GLY A 39 -0.808 11.069 3.518 1.00 55.11 C ATOM 638 C GLY A 39 -1.941 10.399 2.774 1.00 73.14 C ATOM 639 O GLY A 39 -3.050 10.275 3.290 1.00 54.22 O ATOM 0 H GLY A 39 1.005 10.109 3.109 1.00 63.33 H new ATOM 0 HA2 GLY A 39 -0.724 10.643 4.518 1.00 55.11 H new ATOM 0 HA3 GLY A 39 -1.028 12.130 3.641 1.00 55.11 H new ATOM 643 N THR A 40 -1.653 9.976 1.550 1.00 2.31 N ATOM 644 CA THR A 40 -2.617 9.267 0.731 1.00 0.41 C ATOM 645 C THR A 40 -2.956 7.927 1.377 1.00 42.23 C ATOM 646 O THR A 40 -2.110 7.318 2.029 1.00 2.13 O ATOM 647 CB THR A 40 -2.054 9.029 -0.682 1.00 1.25 C ATOM 648 OG1 THR A 40 -1.302 10.179 -1.105 1.00 62.34 O ATOM 649 CG2 THR A 40 -3.174 8.760 -1.677 1.00 72.43 C ATOM 0 H THR A 40 -0.747 10.116 1.102 1.00 2.31 H new ATOM 0 HA THR A 40 -3.519 9.874 0.652 1.00 0.41 H new ATOM 0 HB THR A 40 -1.404 8.155 -0.648 1.00 1.25 H new ATOM 0 HG1 THR A 40 -1.597 10.452 -1.999 1.00 62.34 H new ATOM 0 HG21 THR A 40 -2.749 8.595 -2.667 1.00 72.43 H new ATOM 0 HG22 THR A 40 -3.730 7.874 -1.369 1.00 72.43 H new ATOM 0 HG23 THR A 40 -3.846 9.617 -1.709 1.00 72.43 H new ATOM 657 N GLU A 41 -4.184 7.479 1.209 1.00 11.43 N ATOM 658 CA GLU A 41 -4.631 6.250 1.828 1.00 61.20 C ATOM 659 C GLU A 41 -4.548 5.077 0.864 1.00 30.03 C ATOM 660 O GLU A 41 -4.712 5.233 -0.350 1.00 33.34 O ATOM 661 CB GLU A 41 -6.062 6.418 2.322 1.00 34.31 C ATOM 662 CG GLU A 41 -7.036 6.822 1.229 1.00 2.12 C ATOM 663 CD GLU A 41 -8.461 6.903 1.725 1.00 25.42 C ATOM 664 OE1 GLU A 41 -8.871 7.984 2.193 1.00 53.14 O ATOM 665 OE2 GLU A 41 -9.179 5.883 1.657 1.00 23.43 O ATOM 0 H GLU A 41 -4.892 7.951 0.646 1.00 11.43 H new ATOM 0 HA GLU A 41 -3.973 6.035 2.670 1.00 61.20 H new ATOM 0 HB2 GLU A 41 -6.396 5.481 2.768 1.00 34.31 H new ATOM 0 HB3 GLU A 41 -6.080 7.171 3.110 1.00 34.31 H new ATOM 0 HG2 GLU A 41 -6.741 7.789 0.823 1.00 2.12 H new ATOM 0 HG3 GLU A 41 -6.979 6.103 0.412 1.00 2.12 H new ATOM 672 N ILE A 42 -4.272 3.913 1.423 1.00 21.24 N ATOM 673 CA ILE A 42 -4.246 2.675 0.674 1.00 70.32 C ATOM 674 C ILE A 42 -5.071 1.622 1.404 1.00 63.12 C ATOM 675 O ILE A 42 -4.780 1.274 2.550 1.00 11.11 O ATOM 676 CB ILE A 42 -2.803 2.157 0.482 1.00 51.42 C ATOM 677 CG1 ILE A 42 -1.994 3.118 -0.395 1.00 51.14 C ATOM 678 CG2 ILE A 42 -2.812 0.757 -0.125 1.00 10.03 C ATOM 679 CD1 ILE A 42 -0.565 2.675 -0.618 1.00 40.01 C ATOM 0 H ILE A 42 -4.059 3.802 2.414 1.00 21.24 H new ATOM 0 HA ILE A 42 -4.669 2.868 -0.312 1.00 70.32 H new ATOM 0 HB ILE A 42 -2.327 2.105 1.461 1.00 51.42 H new ATOM 0 HG12 ILE A 42 -2.489 3.220 -1.361 1.00 51.14 H new ATOM 0 HG13 ILE A 42 -1.992 4.105 0.068 1.00 51.14 H new ATOM 0 HG21 ILE A 42 -1.787 0.409 -0.253 1.00 10.03 H new ATOM 0 HG22 ILE A 42 -3.346 0.076 0.538 1.00 10.03 H new ATOM 0 HG23 ILE A 42 -3.309 0.784 -1.095 1.00 10.03 H new ATOM 0 HD11 ILE A 42 -0.052 3.403 -1.247 1.00 40.01 H new ATOM 0 HD12 ILE A 42 -0.053 2.601 0.341 1.00 40.01 H new ATOM 0 HD13 ILE A 42 -0.558 1.702 -1.109 1.00 40.01 H new ATOM 691 N TYR A 43 -6.116 1.148 0.758 1.00 24.11 N ATOM 692 CA TYR A 43 -6.950 0.105 1.324 1.00 33.22 C ATOM 693 C TYR A 43 -6.663 -1.222 0.635 1.00 21.13 C ATOM 694 O TYR A 43 -7.043 -1.431 -0.517 1.00 74.22 O ATOM 695 CB TYR A 43 -8.434 0.466 1.191 1.00 50.04 C ATOM 696 CG TYR A 43 -9.375 -0.629 1.652 1.00 71.20 C ATOM 697 CD1 TYR A 43 -9.442 -0.997 2.991 1.00 23.22 C ATOM 698 CD2 TYR A 43 -10.188 -1.297 0.746 1.00 31.10 C ATOM 699 CE1 TYR A 43 -10.298 -1.997 3.413 1.00 50.12 C ATOM 700 CE2 TYR A 43 -11.043 -2.299 1.161 1.00 35.21 C ATOM 701 CZ TYR A 43 -11.096 -2.646 2.492 1.00 5.35 C ATOM 702 OH TYR A 43 -11.945 -3.646 2.906 1.00 22.15 O ATOM 0 H TYR A 43 -6.410 1.470 -0.164 1.00 24.11 H new ATOM 0 HA TYR A 43 -6.717 0.010 2.385 1.00 33.22 H new ATOM 0 HB2 TYR A 43 -8.632 1.369 1.769 1.00 50.04 H new ATOM 0 HB3 TYR A 43 -8.649 0.701 0.149 1.00 50.04 H new ATOM 0 HD1 TYR A 43 -8.816 -0.494 3.713 1.00 23.22 H new ATOM 0 HD2 TYR A 43 -10.151 -1.029 -0.300 1.00 31.10 H new ATOM 0 HE1 TYR A 43 -10.342 -2.269 4.457 1.00 50.12 H new ATOM 0 HE2 TYR A 43 -11.668 -2.809 0.443 1.00 35.21 H new ATOM 0 HH TYR A 43 -12.436 -3.998 2.135 1.00 22.15 H new ATOM 712 N ILE A 44 -5.971 -2.104 1.336 1.00 0.42 N ATOM 713 CA ILE A 44 -5.672 -3.427 0.814 1.00 51.24 C ATOM 714 C ILE A 44 -6.924 -4.286 0.880 1.00 74.51 C ATOM 715 O ILE A 44 -7.296 -4.752 1.950 1.00 45.03 O ATOM 716 CB ILE A 44 -4.546 -4.112 1.623 1.00 63.34 C ATOM 717 CG1 ILE A 44 -3.322 -3.195 1.712 1.00 23.13 C ATOM 718 CG2 ILE A 44 -4.173 -5.449 0.991 1.00 0.31 C ATOM 719 CD1 ILE A 44 -2.194 -3.762 2.546 1.00 34.32 C ATOM 0 H ILE A 44 -5.605 -1.927 2.271 1.00 0.42 H new ATOM 0 HA ILE A 44 -5.336 -3.318 -0.217 1.00 51.24 H new ATOM 0 HB ILE A 44 -4.908 -4.301 2.633 1.00 63.34 H new ATOM 0 HG12 ILE A 44 -2.953 -2.998 0.705 1.00 23.13 H new ATOM 0 HG13 ILE A 44 -3.627 -2.237 2.133 1.00 23.13 H new ATOM 0 HG21 ILE A 44 -3.379 -5.918 1.573 1.00 0.31 H new ATOM 0 HG22 ILE A 44 -5.046 -6.101 0.977 1.00 0.31 H new ATOM 0 HG23 ILE A 44 -3.827 -5.285 -0.029 1.00 0.31 H new ATOM 0 HD11 ILE A 44 -1.363 -3.057 2.562 1.00 34.32 H new ATOM 0 HD12 ILE A 44 -2.545 -3.933 3.564 1.00 34.32 H new ATOM 0 HD13 ILE A 44 -1.860 -4.705 2.114 1.00 34.32 H new ATOM 731 N GLU A 45 -7.590 -4.472 -0.245 1.00 71.52 N ATOM 732 CA GLU A 45 -8.822 -5.243 -0.264 1.00 52.14 C ATOM 733 C GLU A 45 -8.530 -6.730 -0.407 1.00 55.41 C ATOM 734 O GLU A 45 -9.330 -7.575 -0.002 1.00 31.42 O ATOM 735 CB GLU A 45 -9.744 -4.752 -1.377 1.00 15.01 C ATOM 736 CG GLU A 45 -9.092 -4.652 -2.745 1.00 60.52 C ATOM 737 CD GLU A 45 -10.039 -4.094 -3.788 1.00 21.21 C ATOM 738 OE1 GLU A 45 -10.451 -2.922 -3.658 1.00 42.43 O ATOM 739 OE2 GLU A 45 -10.383 -4.826 -4.740 1.00 12.33 O ATOM 0 H GLU A 45 -7.302 -4.103 -1.152 1.00 71.52 H new ATOM 0 HA GLU A 45 -9.333 -5.096 0.687 1.00 52.14 H new ATOM 0 HB2 GLU A 45 -10.599 -5.425 -1.445 1.00 15.01 H new ATOM 0 HB3 GLU A 45 -10.132 -3.771 -1.102 1.00 15.01 H new ATOM 0 HG2 GLU A 45 -8.209 -4.016 -2.680 1.00 60.52 H new ATOM 0 HG3 GLU A 45 -8.751 -5.639 -3.057 1.00 60.52 H new ATOM 746 N GLY A 46 -7.379 -7.039 -0.978 1.00 65.44 N ATOM 747 CA GLY A 46 -6.952 -8.418 -1.089 1.00 64.01 C ATOM 748 C GLY A 46 -5.815 -8.588 -2.069 1.00 20.23 C ATOM 749 O GLY A 46 -5.256 -7.609 -2.556 1.00 21.03 O ATOM 0 H GLY A 46 -6.729 -6.357 -1.369 1.00 65.44 H new ATOM 0 HA2 GLY A 46 -6.641 -8.780 -0.109 1.00 64.01 H new ATOM 0 HA3 GLY A 46 -7.795 -9.033 -1.404 1.00 64.01 H new ATOM 753 N LYS A 47 -5.468 -9.830 -2.356 1.00 65.21 N ATOM 754 CA LYS A 47 -4.429 -10.134 -3.327 1.00 21.44 C ATOM 755 C LYS A 47 -5.012 -11.041 -4.398 1.00 50.22 C ATOM 756 O LYS A 47 -6.036 -11.686 -4.167 1.00 4.54 O ATOM 757 CB LYS A 47 -3.231 -10.819 -2.652 1.00 61.31 C ATOM 758 CG LYS A 47 -2.649 -10.028 -1.484 1.00 21.34 C ATOM 759 CD LYS A 47 -1.494 -10.763 -0.816 1.00 42.33 C ATOM 760 CE LYS A 47 -0.293 -10.895 -1.742 1.00 74.43 C ATOM 761 NZ LYS A 47 0.858 -11.553 -1.067 1.00 42.33 N ATOM 0 H LYS A 47 -5.894 -10.651 -1.927 1.00 65.21 H new ATOM 0 HA LYS A 47 -4.075 -9.206 -3.775 1.00 21.44 H new ATOM 0 HB2 LYS A 47 -3.539 -11.802 -2.296 1.00 61.31 H new ATOM 0 HB3 LYS A 47 -2.450 -10.980 -3.395 1.00 61.31 H new ATOM 0 HG2 LYS A 47 -2.304 -9.057 -1.840 1.00 21.34 H new ATOM 0 HG3 LYS A 47 -3.431 -9.838 -0.749 1.00 21.34 H new ATOM 0 HD2 LYS A 47 -1.199 -10.230 0.088 1.00 42.33 H new ATOM 0 HD3 LYS A 47 -1.825 -11.755 -0.507 1.00 42.33 H new ATOM 0 HE2 LYS A 47 -0.575 -11.472 -2.623 1.00 74.43 H new ATOM 0 HE3 LYS A 47 0.007 -9.907 -2.091 1.00 74.43 H new ATOM 0 HZ1 LYS A 47 1.655 -11.624 -1.731 1.00 42.33 H new ATOM 0 HZ2 LYS A 47 1.144 -10.990 -0.241 1.00 42.33 H new ATOM 0 HZ3 LYS A 47 0.580 -12.506 -0.757 1.00 42.33 H new ATOM 775 N ALA A 48 -4.379 -11.081 -5.559 1.00 53.45 N ATOM 776 CA ALA A 48 -4.816 -11.972 -6.621 1.00 50.44 C ATOM 777 C ALA A 48 -4.663 -13.418 -6.171 1.00 20.41 C ATOM 778 O ALA A 48 -3.812 -13.719 -5.336 1.00 75.34 O ATOM 779 CB ALA A 48 -4.022 -11.714 -7.893 1.00 33.32 C ATOM 0 H ALA A 48 -3.565 -10.510 -5.789 1.00 53.45 H new ATOM 0 HA ALA A 48 -5.867 -11.781 -6.838 1.00 50.44 H new ATOM 0 HB1 ALA A 48 -4.362 -12.390 -8.678 1.00 33.32 H new ATOM 0 HB2 ALA A 48 -4.172 -10.683 -8.212 1.00 33.32 H new ATOM 0 HB3 ALA A 48 -2.963 -11.885 -7.702 1.00 33.32 H new ATOM 785 N PRO A 49 -5.487 -14.332 -6.705 1.00 25.14 N ATOM 786 CA PRO A 49 -5.441 -15.755 -6.341 1.00 34.11 C ATOM 787 C PRO A 49 -4.094 -16.412 -6.662 1.00 12.31 C ATOM 788 O PRO A 49 -3.839 -17.548 -6.266 1.00 30.55 O ATOM 789 CB PRO A 49 -6.554 -16.381 -7.187 1.00 21.30 C ATOM 790 CG PRO A 49 -7.449 -15.246 -7.547 1.00 24.33 C ATOM 791 CD PRO A 49 -6.554 -14.051 -7.680 1.00 12.25 C ATOM 0 HA PRO A 49 -5.570 -15.894 -5.268 1.00 34.11 H new ATOM 0 HB2 PRO A 49 -6.150 -16.863 -8.077 1.00 21.30 H new ATOM 0 HB3 PRO A 49 -7.092 -17.146 -6.627 1.00 21.30 H new ATOM 0 HG2 PRO A 49 -7.978 -15.445 -8.479 1.00 24.33 H new ATOM 0 HG3 PRO A 49 -8.206 -15.085 -6.779 1.00 24.33 H new ATOM 0 HD2 PRO A 49 -6.161 -13.951 -8.692 1.00 12.25 H new ATOM 0 HD3 PRO A 49 -7.079 -13.124 -7.449 1.00 12.25 H new ATOM 799 N MET A 50 -3.242 -15.696 -7.387 1.00 23.15 N ATOM 800 CA MET A 50 -1.897 -16.176 -7.689 1.00 64.52 C ATOM 801 C MET A 50 -0.883 -15.576 -6.704 1.00 15.34 C ATOM 802 O MET A 50 0.303 -15.912 -6.721 1.00 11.42 O ATOM 803 CB MET A 50 -1.523 -15.817 -9.134 1.00 74.50 C ATOM 804 CG MET A 50 -0.190 -16.395 -9.585 1.00 44.52 C ATOM 805 SD MET A 50 0.183 -16.047 -11.316 1.00 24.30 S ATOM 806 CE MET A 50 0.265 -14.258 -11.305 1.00 54.24 C ATOM 0 H MET A 50 -3.459 -14.779 -7.778 1.00 23.15 H new ATOM 0 HA MET A 50 -1.877 -17.261 -7.583 1.00 64.52 H new ATOM 0 HB2 MET A 50 -2.307 -16.173 -9.802 1.00 74.50 H new ATOM 0 HB3 MET A 50 -1.490 -14.732 -9.232 1.00 74.50 H new ATOM 0 HG2 MET A 50 0.605 -15.990 -8.960 1.00 44.52 H new ATOM 0 HG3 MET A 50 -0.198 -17.474 -9.431 1.00 44.52 H new ATOM 0 HE1 MET A 50 0.758 -13.911 -12.213 1.00 54.24 H new ATOM 0 HE2 MET A 50 -0.744 -13.848 -11.260 1.00 54.24 H new ATOM 0 HE3 MET A 50 0.831 -13.925 -10.435 1.00 54.24 H new ATOM 816 N GLY A 51 -1.363 -14.686 -5.846 1.00 10.04 N ATOM 817 CA GLY A 51 -0.500 -14.021 -4.883 1.00 0.31 C ATOM 818 C GLY A 51 0.068 -12.727 -5.430 1.00 71.25 C ATOM 819 O GLY A 51 0.619 -11.914 -4.687 1.00 12.30 O ATOM 0 H GLY A 51 -2.344 -14.409 -5.798 1.00 10.04 H new ATOM 0 HA2 GLY A 51 -1.064 -13.814 -3.973 1.00 0.31 H new ATOM 0 HA3 GLY A 51 0.317 -14.688 -4.607 1.00 0.31 H new ATOM 823 N ASP A 52 -0.081 -12.546 -6.733 1.00 51.43 N ATOM 824 CA ASP A 52 0.421 -11.370 -7.430 1.00 22.25 C ATOM 825 C ASP A 52 -0.454 -11.128 -8.654 1.00 1.23 C ATOM 826 O ASP A 52 -0.824 -12.079 -9.343 1.00 70.11 O ATOM 827 CB ASP A 52 1.877 -11.587 -7.861 1.00 50.51 C ATOM 828 CG ASP A 52 2.567 -10.300 -8.271 1.00 34.42 C ATOM 829 OD1 ASP A 52 2.370 -9.847 -9.415 1.00 44.50 O ATOM 830 OD2 ASP A 52 3.319 -9.745 -7.446 1.00 12.41 O ATOM 0 H ASP A 52 -0.556 -13.214 -7.341 1.00 51.43 H new ATOM 0 HA ASP A 52 0.388 -10.505 -6.767 1.00 22.25 H new ATOM 0 HB2 ASP A 52 2.430 -12.045 -7.040 1.00 50.51 H new ATOM 0 HB3 ASP A 52 1.904 -12.289 -8.694 1.00 50.51 H new ATOM 835 N PRO A 53 -0.836 -9.875 -8.927 1.00 1.33 N ATOM 836 CA PRO A 53 -0.483 -8.720 -8.105 1.00 71.43 C ATOM 837 C PRO A 53 -1.391 -8.575 -6.883 1.00 62.53 C ATOM 838 O PRO A 53 -2.152 -9.485 -6.539 1.00 63.21 O ATOM 839 CB PRO A 53 -0.673 -7.527 -9.061 1.00 12.32 C ATOM 840 CG PRO A 53 -1.113 -8.101 -10.372 1.00 72.23 C ATOM 841 CD PRO A 53 -1.634 -9.475 -10.082 1.00 20.22 C ATOM 0 HA PRO A 53 0.526 -8.803 -7.701 1.00 71.43 H new ATOM 0 HB2 PRO A 53 -1.417 -6.832 -8.672 1.00 12.32 H new ATOM 0 HB3 PRO A 53 0.256 -6.968 -9.174 1.00 12.32 H new ATOM 0 HG2 PRO A 53 -1.886 -7.481 -10.827 1.00 72.23 H new ATOM 0 HG3 PRO A 53 -0.282 -8.142 -11.076 1.00 72.23 H new ATOM 0 HD2 PRO A 53 -2.700 -9.466 -9.856 1.00 20.22 H new ATOM 0 HD3 PRO A 53 -1.493 -10.150 -10.926 1.00 20.22 H new ATOM 849 N ILE A 54 -1.302 -7.431 -6.228 1.00 75.01 N ATOM 850 CA ILE A 54 -2.105 -7.159 -5.050 1.00 71.22 C ATOM 851 C ILE A 54 -3.155 -6.097 -5.365 1.00 15.45 C ATOM 852 O ILE A 54 -2.851 -5.079 -5.988 1.00 0.13 O ATOM 853 CB ILE A 54 -1.223 -6.682 -3.875 1.00 70.13 C ATOM 854 CG1 ILE A 54 -0.063 -7.658 -3.652 1.00 33.24 C ATOM 855 CG2 ILE A 54 -2.056 -6.547 -2.607 1.00 10.21 C ATOM 856 CD1 ILE A 54 0.906 -7.217 -2.574 1.00 34.12 C ATOM 0 H ILE A 54 -0.677 -6.671 -6.495 1.00 75.01 H new ATOM 0 HA ILE A 54 -2.600 -8.085 -4.758 1.00 71.22 H new ATOM 0 HB ILE A 54 -0.811 -5.704 -4.123 1.00 70.13 H new ATOM 0 HG12 ILE A 54 -0.468 -8.635 -3.387 1.00 33.24 H new ATOM 0 HG13 ILE A 54 0.481 -7.782 -4.588 1.00 33.24 H new ATOM 0 HG21 ILE A 54 -1.420 -6.210 -1.788 1.00 10.21 H new ATOM 0 HG22 ILE A 54 -2.852 -5.821 -2.770 1.00 10.21 H new ATOM 0 HG23 ILE A 54 -2.492 -7.513 -2.354 1.00 10.21 H new ATOM 0 HD11 ILE A 54 1.700 -7.957 -2.473 1.00 34.12 H new ATOM 0 HD12 ILE A 54 1.340 -6.255 -2.846 1.00 34.12 H new ATOM 0 HD13 ILE A 54 0.377 -7.121 -1.626 1.00 34.12 H new ATOM 868 N ALA A 55 -4.386 -6.341 -4.944 1.00 40.54 N ATOM 869 CA ALA A 55 -5.474 -5.409 -5.191 1.00 43.24 C ATOM 870 C ALA A 55 -5.523 -4.355 -4.091 1.00 40.03 C ATOM 871 O ALA A 55 -5.903 -4.642 -2.950 1.00 21.11 O ATOM 872 CB ALA A 55 -6.798 -6.152 -5.290 1.00 40.40 C ATOM 0 H ALA A 55 -4.657 -7.179 -4.429 1.00 40.54 H new ATOM 0 HA ALA A 55 -5.297 -4.905 -6.141 1.00 43.24 H new ATOM 0 HB1 ALA A 55 -7.602 -5.440 -5.475 1.00 40.40 H new ATOM 0 HB2 ALA A 55 -6.753 -6.869 -6.110 1.00 40.40 H new ATOM 0 HB3 ALA A 55 -6.989 -6.681 -4.356 1.00 40.40 H new ATOM 878 N LEU A 56 -5.118 -3.143 -4.430 1.00 53.05 N ATOM 879 CA LEU A 56 -5.073 -2.059 -3.466 1.00 31.01 C ATOM 880 C LEU A 56 -5.967 -0.921 -3.913 1.00 44.40 C ATOM 881 O LEU A 56 -5.911 -0.493 -5.065 1.00 3.24 O ATOM 882 CB LEU A 56 -3.652 -1.523 -3.322 1.00 51.03 C ATOM 883 CG LEU A 56 -2.563 -2.571 -3.083 1.00 60.03 C ATOM 884 CD1 LEU A 56 -1.182 -1.940 -3.180 1.00 32.22 C ATOM 885 CD2 LEU A 56 -2.750 -3.223 -1.726 1.00 25.44 C ATOM 0 H LEU A 56 -4.815 -2.885 -5.369 1.00 53.05 H new ATOM 0 HA LEU A 56 -5.416 -2.453 -2.509 1.00 31.01 H new ATOM 0 HB2 LEU A 56 -3.401 -0.966 -4.225 1.00 51.03 H new ATOM 0 HB3 LEU A 56 -3.634 -0.814 -2.495 1.00 51.03 H new ATOM 0 HG LEU A 56 -2.646 -3.337 -3.854 1.00 60.03 H new ATOM 0 HD11 LEU A 56 -0.421 -2.701 -3.007 1.00 32.22 H new ATOM 0 HD12 LEU A 56 -1.047 -1.511 -4.173 1.00 32.22 H new ATOM 0 HD13 LEU A 56 -1.087 -1.155 -2.430 1.00 32.22 H new ATOM 0 HD21 LEU A 56 -1.969 -3.967 -1.569 1.00 25.44 H new ATOM 0 HD22 LEU A 56 -2.691 -2.464 -0.946 1.00 25.44 H new ATOM 0 HD23 LEU A 56 -3.725 -3.708 -1.687 1.00 25.44 H new ATOM 897 N ARG A 57 -6.785 -0.431 -3.010 1.00 64.22 N ATOM 898 CA ARG A 57 -7.548 0.769 -3.278 1.00 43.53 C ATOM 899 C ARG A 57 -6.773 1.966 -2.760 1.00 23.23 C ATOM 900 O ARG A 57 -6.786 2.259 -1.565 1.00 0.32 O ATOM 901 CB ARG A 57 -8.927 0.733 -2.623 1.00 11.14 C ATOM 902 CG ARG A 57 -9.728 1.991 -2.907 1.00 52.32 C ATOM 903 CD ARG A 57 -10.854 2.188 -1.914 1.00 13.13 C ATOM 904 NE ARG A 57 -11.322 3.575 -1.904 1.00 32.30 N ATOM 905 CZ ARG A 57 -10.968 4.466 -0.977 1.00 52.13 C ATOM 906 NH1 ARG A 57 -10.150 4.113 0.008 1.00 13.01 N ATOM 907 NH2 ARG A 57 -11.421 5.712 -1.037 1.00 33.25 N ATOM 0 H ARG A 57 -6.940 -0.841 -2.089 1.00 64.22 H new ATOM 0 HA ARG A 57 -7.700 0.841 -4.355 1.00 43.53 H new ATOM 0 HB2 ARG A 57 -9.477 -0.136 -2.985 1.00 11.14 H new ATOM 0 HB3 ARG A 57 -8.813 0.612 -1.546 1.00 11.14 H new ATOM 0 HG2 ARG A 57 -9.065 2.856 -2.879 1.00 52.32 H new ATOM 0 HG3 ARG A 57 -10.140 1.938 -3.915 1.00 52.32 H new ATOM 0 HD2 ARG A 57 -11.682 1.525 -2.165 1.00 13.13 H new ATOM 0 HD3 ARG A 57 -10.514 1.910 -0.916 1.00 13.13 H new ATOM 0 HE ARG A 57 -11.953 3.876 -2.646 1.00 32.30 H new ATOM 0 HH11 ARG A 57 -9.792 3.159 0.056 1.00 13.01 H new ATOM 0 HH12 ARG A 57 -9.880 4.796 0.716 1.00 13.01 H new ATOM 0 HH21 ARG A 57 -12.043 5.992 -1.795 1.00 33.25 H new ATOM 0 HH22 ARG A 57 -11.147 6.389 -0.325 1.00 33.25 H new ATOM 921 N LEU A 58 -6.101 2.650 -3.656 1.00 1.31 N ATOM 922 CA LEU A 58 -5.255 3.765 -3.278 1.00 74.11 C ATOM 923 C LEU A 58 -5.739 5.044 -3.934 1.00 72.30 C ATOM 924 O LEU A 58 -6.285 5.012 -5.039 1.00 22.12 O ATOM 925 CB LEU A 58 -3.785 3.473 -3.624 1.00 63.11 C ATOM 926 CG LEU A 58 -3.531 2.726 -4.941 1.00 72.23 C ATOM 927 CD1 LEU A 58 -3.729 3.633 -6.146 1.00 4.23 C ATOM 928 CD2 LEU A 58 -2.130 2.136 -4.939 1.00 43.34 C ATOM 0 H LEU A 58 -6.122 2.455 -4.657 1.00 1.31 H new ATOM 0 HA LEU A 58 -5.317 3.901 -2.198 1.00 74.11 H new ATOM 0 HB2 LEU A 58 -3.247 4.420 -3.659 1.00 63.11 H new ATOM 0 HB3 LEU A 58 -3.352 2.890 -2.811 1.00 63.11 H new ATOM 0 HG LEU A 58 -4.259 1.918 -5.019 1.00 72.23 H new ATOM 0 HD11 LEU A 58 -3.541 3.070 -7.060 1.00 4.23 H new ATOM 0 HD12 LEU A 58 -4.753 4.008 -6.155 1.00 4.23 H new ATOM 0 HD13 LEU A 58 -3.036 4.472 -6.088 1.00 4.23 H new ATOM 0 HD21 LEU A 58 -1.956 1.607 -5.876 1.00 43.34 H new ATOM 0 HD22 LEU A 58 -1.398 2.937 -4.833 1.00 43.34 H new ATOM 0 HD23 LEU A 58 -2.029 1.440 -4.106 1.00 43.34 H new ATOM 940 N ARG A 59 -5.580 6.153 -3.217 1.00 51.51 N ATOM 941 CA ARG A 59 -5.996 7.478 -3.690 1.00 53.14 C ATOM 942 C ARG A 59 -7.522 7.619 -3.662 1.00 51.12 C ATOM 943 O ARG A 59 -8.049 8.621 -3.184 1.00 61.34 O ATOM 944 CB ARG A 59 -5.448 7.748 -5.098 1.00 42.13 C ATOM 945 CG ARG A 59 -5.703 9.156 -5.604 1.00 54.05 C ATOM 946 CD ARG A 59 -5.159 9.334 -7.009 1.00 62.13 C ATOM 947 NE ARG A 59 -5.287 10.711 -7.473 1.00 61.51 N ATOM 948 CZ ARG A 59 -5.512 11.053 -8.739 1.00 3.45 C ATOM 949 NH1 ARG A 59 -5.640 10.113 -9.673 1.00 72.14 N ATOM 950 NH2 ARG A 59 -5.598 12.333 -9.072 1.00 2.12 N ATOM 0 H ARG A 59 -5.158 6.162 -2.288 1.00 51.51 H new ATOM 0 HA ARG A 59 -5.579 8.224 -3.013 1.00 53.14 H new ATOM 0 HB2 ARG A 59 -4.374 7.562 -5.100 1.00 42.13 H new ATOM 0 HB3 ARG A 59 -5.896 7.037 -5.793 1.00 42.13 H new ATOM 0 HG2 ARG A 59 -6.773 9.361 -5.596 1.00 54.05 H new ATOM 0 HG3 ARG A 59 -5.235 9.878 -4.934 1.00 54.05 H new ATOM 0 HD2 ARG A 59 -4.110 9.040 -7.032 1.00 62.13 H new ATOM 0 HD3 ARG A 59 -5.691 8.671 -7.691 1.00 62.13 H new ATOM 0 HE ARG A 59 -5.199 11.458 -6.784 1.00 61.51 H new ATOM 0 HH11 ARG A 59 -5.566 9.128 -9.419 1.00 72.14 H new ATOM 0 HH12 ARG A 59 -5.812 10.378 -10.643 1.00 72.14 H new ATOM 0 HH21 ARG A 59 -5.492 13.054 -8.358 1.00 2.12 H new ATOM 0 HH22 ARG A 59 -5.770 12.597 -10.042 1.00 2.12 H new ATOM 964 N GLY A 60 -8.220 6.603 -4.158 1.00 53.03 N ATOM 965 CA GLY A 60 -9.671 6.619 -4.168 1.00 74.45 C ATOM 966 C GLY A 60 -10.252 5.398 -4.857 1.00 62.13 C ATOM 967 O GLY A 60 -11.368 4.973 -4.554 1.00 13.24 O ATOM 0 H GLY A 60 -7.802 5.762 -4.556 1.00 53.03 H new ATOM 0 HA2 GLY A 60 -10.039 6.666 -3.143 1.00 74.45 H new ATOM 0 HA3 GLY A 60 -10.019 7.520 -4.673 1.00 74.45 H new ATOM 971 N TYR A 61 -9.485 4.824 -5.774 1.00 41.32 N ATOM 972 CA TYR A 61 -9.939 3.678 -6.552 1.00 42.12 C ATOM 973 C TYR A 61 -9.016 2.485 -6.361 1.00 35.41 C ATOM 974 O TYR A 61 -7.856 2.639 -5.978 1.00 35.15 O ATOM 975 CB TYR A 61 -10.024 4.042 -8.036 1.00 25.15 C ATOM 976 CG TYR A 61 -8.893 4.936 -8.511 1.00 73.30 C ATOM 977 CD1 TYR A 61 -7.690 4.399 -8.953 1.00 2.34 C ATOM 978 CD2 TYR A 61 -9.028 6.318 -8.505 1.00 12.13 C ATOM 979 CE1 TYR A 61 -6.656 5.215 -9.372 1.00 75.14 C ATOM 980 CE2 TYR A 61 -8.000 7.139 -8.925 1.00 44.24 C ATOM 981 CZ TYR A 61 -6.816 6.584 -9.356 1.00 63.44 C ATOM 982 OH TYR A 61 -5.789 7.401 -9.770 1.00 13.25 O ATOM 0 H TYR A 61 -8.540 5.135 -5.999 1.00 41.32 H new ATOM 0 HA TYR A 61 -10.931 3.403 -6.195 1.00 42.12 H new ATOM 0 HB2 TYR A 61 -10.023 3.126 -8.626 1.00 25.15 H new ATOM 0 HB3 TYR A 61 -10.974 4.542 -8.225 1.00 25.15 H new ATOM 0 HD1 TYR A 61 -7.561 3.327 -8.969 1.00 2.34 H new ATOM 0 HD2 TYR A 61 -9.954 6.759 -8.166 1.00 12.13 H new ATOM 0 HE1 TYR A 61 -5.726 4.782 -9.711 1.00 75.14 H new ATOM 0 HE2 TYR A 61 -8.124 8.212 -8.915 1.00 44.24 H new ATOM 0 HH TYR A 61 -5.956 7.696 -10.690 1.00 13.25 H new ATOM 992 N SER A 62 -9.541 1.302 -6.623 1.00 65.30 N ATOM 993 CA SER A 62 -8.783 0.083 -6.481 1.00 4.22 C ATOM 994 C SER A 62 -8.056 -0.272 -7.772 1.00 23.55 C ATOM 995 O SER A 62 -8.637 -0.234 -8.857 1.00 33.31 O ATOM 996 CB SER A 62 -9.716 -1.053 -6.090 1.00 50.21 C ATOM 997 OG SER A 62 -10.724 -0.616 -5.195 1.00 21.40 O ATOM 0 H SER A 62 -10.501 1.164 -6.939 1.00 65.30 H new ATOM 0 HA SER A 62 -8.035 0.235 -5.703 1.00 4.22 H new ATOM 0 HB2 SER A 62 -10.179 -1.469 -6.985 1.00 50.21 H new ATOM 0 HB3 SER A 62 -9.140 -1.854 -5.627 1.00 50.21 H new ATOM 0 HG SER A 62 -10.841 -1.280 -4.484 1.00 21.40 H new ATOM 1003 N LEU A 63 -6.790 -0.615 -7.636 1.00 61.34 N ATOM 1004 CA LEU A 63 -5.976 -1.066 -8.752 1.00 65.54 C ATOM 1005 C LEU A 63 -5.053 -2.181 -8.288 1.00 50.10 C ATOM 1006 O LEU A 63 -4.696 -2.253 -7.113 1.00 51.24 O ATOM 1007 CB LEU A 63 -5.147 0.084 -9.340 1.00 10.24 C ATOM 1008 CG LEU A 63 -5.929 1.122 -10.146 1.00 44.10 C ATOM 1009 CD1 LEU A 63 -5.004 2.233 -10.614 1.00 25.21 C ATOM 1010 CD2 LEU A 63 -6.614 0.466 -11.337 1.00 71.22 C ATOM 0 H LEU A 63 -6.293 -0.589 -6.745 1.00 61.34 H new ATOM 0 HA LEU A 63 -6.641 -1.435 -9.533 1.00 65.54 H new ATOM 0 HB2 LEU A 63 -4.637 0.595 -8.523 1.00 10.24 H new ATOM 0 HB3 LEU A 63 -4.375 -0.341 -9.982 1.00 10.24 H new ATOM 0 HG LEU A 63 -6.695 1.555 -9.502 1.00 44.10 H new ATOM 0 HD11 LEU A 63 -5.574 2.964 -11.186 1.00 25.21 H new ATOM 0 HD12 LEU A 63 -4.554 2.720 -9.749 1.00 25.21 H new ATOM 0 HD13 LEU A 63 -4.219 1.812 -11.243 1.00 25.21 H new ATOM 0 HD21 LEU A 63 -7.166 1.219 -11.899 1.00 71.22 H new ATOM 0 HD22 LEU A 63 -5.864 0.009 -11.982 1.00 71.22 H new ATOM 0 HD23 LEU A 63 -7.304 -0.300 -10.983 1.00 71.22 H new ATOM 1022 N SER A 64 -4.685 -3.061 -9.198 1.00 3.32 N ATOM 1023 CA SER A 64 -3.766 -4.129 -8.879 1.00 71.40 C ATOM 1024 C SER A 64 -2.322 -3.687 -9.096 1.00 53.15 C ATOM 1025 O SER A 64 -1.890 -3.448 -10.226 1.00 3.03 O ATOM 1026 CB SER A 64 -4.095 -5.359 -9.718 1.00 24.12 C ATOM 1027 OG SER A 64 -4.585 -4.987 -10.995 1.00 33.15 O ATOM 0 H SER A 64 -5.010 -3.055 -10.165 1.00 3.32 H new ATOM 0 HA SER A 64 -3.875 -4.386 -7.825 1.00 71.40 H new ATOM 0 HB2 SER A 64 -3.203 -5.975 -9.832 1.00 24.12 H new ATOM 0 HB3 SER A 64 -4.838 -5.967 -9.202 1.00 24.12 H new ATOM 0 HG SER A 64 -4.787 -5.793 -11.515 1.00 33.15 H new ATOM 1033 N LEU A 65 -1.599 -3.547 -7.999 1.00 24.12 N ATOM 1034 CA LEU A 65 -0.190 -3.188 -8.049 1.00 10.43 C ATOM 1035 C LEU A 65 0.644 -4.434 -7.826 1.00 73.42 C ATOM 1036 O LEU A 65 0.247 -5.323 -7.071 1.00 74.21 O ATOM 1037 CB LEU A 65 0.159 -2.121 -6.999 1.00 54.52 C ATOM 1038 CG LEU A 65 -0.269 -0.685 -7.332 1.00 14.44 C ATOM 1039 CD1 LEU A 65 0.289 -0.259 -8.681 1.00 64.04 C ATOM 1040 CD2 LEU A 65 -1.784 -0.542 -7.310 1.00 13.45 C ATOM 0 H LEU A 65 -1.966 -3.677 -7.056 1.00 24.12 H new ATOM 0 HA LEU A 65 0.027 -2.763 -9.029 1.00 10.43 H new ATOM 0 HB2 LEU A 65 -0.301 -2.406 -6.053 1.00 54.52 H new ATOM 0 HB3 LEU A 65 1.238 -2.131 -6.844 1.00 54.52 H new ATOM 0 HG LEU A 65 0.140 -0.028 -6.565 1.00 14.44 H new ATOM 0 HD11 LEU A 65 -0.025 0.762 -8.899 1.00 64.04 H new ATOM 0 HD12 LEU A 65 1.378 -0.306 -8.656 1.00 64.04 H new ATOM 0 HD13 LEU A 65 -0.085 -0.927 -9.457 1.00 64.04 H new ATOM 0 HD21 LEU A 65 -2.056 0.486 -7.550 1.00 13.45 H new ATOM 0 HD22 LEU A 65 -2.224 -1.215 -8.046 1.00 13.45 H new ATOM 0 HD23 LEU A 65 -2.159 -0.795 -6.318 1.00 13.45 H new ATOM 1052 N ARG A 66 1.789 -4.506 -8.475 1.00 21.13 N ATOM 1053 CA ARG A 66 2.603 -5.705 -8.426 1.00 5.20 C ATOM 1054 C ARG A 66 3.415 -5.740 -7.142 1.00 31.13 C ATOM 1055 O ARG A 66 3.559 -4.725 -6.453 1.00 40.34 O ATOM 1056 CB ARG A 66 3.541 -5.801 -9.640 1.00 75.51 C ATOM 1057 CG ARG A 66 2.842 -6.054 -10.974 1.00 10.25 C ATOM 1058 CD ARG A 66 2.075 -4.834 -11.462 1.00 24.21 C ATOM 1059 NE ARG A 66 1.558 -5.013 -12.820 1.00 30.13 N ATOM 1060 CZ ARG A 66 0.711 -4.174 -13.411 1.00 60.51 C ATOM 1061 NH1 ARG A 66 0.279 -3.100 -12.760 1.00 71.54 N ATOM 1062 NH2 ARG A 66 0.306 -4.398 -14.655 1.00 60.34 N ATOM 0 H ARG A 66 2.176 -3.751 -9.041 1.00 21.13 H new ATOM 0 HA ARG A 66 1.929 -6.561 -8.451 1.00 5.20 H new ATOM 0 HB2 ARG A 66 4.111 -4.875 -9.715 1.00 75.51 H new ATOM 0 HB3 ARG A 66 4.258 -6.603 -9.464 1.00 75.51 H new ATOM 0 HG2 ARG A 66 3.582 -6.339 -11.722 1.00 10.25 H new ATOM 0 HG3 ARG A 66 2.156 -6.894 -10.869 1.00 10.25 H new ATOM 0 HD2 ARG A 66 1.246 -4.632 -10.783 1.00 24.21 H new ATOM 0 HD3 ARG A 66 2.728 -3.962 -11.436 1.00 24.21 H new ATOM 0 HE ARG A 66 1.866 -5.831 -13.345 1.00 30.13 H new ATOM 0 HH11 ARG A 66 0.597 -2.919 -11.808 1.00 71.54 H new ATOM 0 HH12 ARG A 66 -0.370 -2.456 -13.212 1.00 71.54 H new ATOM 0 HH21 ARG A 66 0.644 -5.216 -15.162 1.00 60.34 H new ATOM 0 HH22 ARG A 66 -0.343 -3.752 -15.104 1.00 60.34 H new ATOM 1076 N LYS A 67 3.923 -6.924 -6.823 1.00 40.41 N ATOM 1077 CA LYS A 67 4.787 -7.134 -5.665 1.00 64.41 C ATOM 1078 C LYS A 67 5.900 -6.088 -5.586 1.00 71.41 C ATOM 1079 O LYS A 67 6.255 -5.631 -4.499 1.00 2.44 O ATOM 1080 CB LYS A 67 5.399 -8.527 -5.759 1.00 22.11 C ATOM 1081 CG LYS A 67 6.077 -9.009 -4.494 1.00 22.12 C ATOM 1082 CD LYS A 67 6.692 -10.394 -4.679 1.00 61.24 C ATOM 1083 CE LYS A 67 5.646 -11.476 -4.943 1.00 22.54 C ATOM 1084 NZ LYS A 67 5.104 -11.447 -6.333 1.00 54.53 N ATOM 0 H LYS A 67 3.747 -7.771 -7.363 1.00 40.41 H new ATOM 0 HA LYS A 67 4.183 -7.037 -4.763 1.00 64.41 H new ATOM 0 HB2 LYS A 67 4.615 -9.236 -6.027 1.00 22.11 H new ATOM 0 HB3 LYS A 67 6.127 -8.535 -6.570 1.00 22.11 H new ATOM 0 HG2 LYS A 67 6.854 -8.301 -4.204 1.00 22.12 H new ATOM 0 HG3 LYS A 67 5.352 -9.038 -3.680 1.00 22.12 H new ATOM 0 HD2 LYS A 67 7.396 -10.366 -5.510 1.00 61.24 H new ATOM 0 HD3 LYS A 67 7.262 -10.656 -3.787 1.00 61.24 H new ATOM 0 HE2 LYS A 67 6.089 -12.454 -4.754 1.00 22.54 H new ATOM 0 HE3 LYS A 67 4.824 -11.357 -4.237 1.00 22.54 H new ATOM 0 HZ1 LYS A 67 5.054 -12.416 -6.707 1.00 54.53 H new ATOM 0 HZ2 LYS A 67 4.152 -11.030 -6.326 1.00 54.53 H new ATOM 0 HZ3 LYS A 67 5.728 -10.875 -6.937 1.00 54.53 H new ATOM 1098 N SER A 68 6.443 -5.721 -6.739 1.00 32.24 N ATOM 1099 CA SER A 68 7.530 -4.757 -6.814 1.00 54.21 C ATOM 1100 C SER A 68 7.132 -3.406 -6.218 1.00 33.20 C ATOM 1101 O SER A 68 7.840 -2.873 -5.359 1.00 40.04 O ATOM 1102 CB SER A 68 7.970 -4.593 -8.266 1.00 60.54 C ATOM 1103 OG SER A 68 8.319 -5.852 -8.821 1.00 74.32 O ATOM 0 H SER A 68 6.143 -6.082 -7.645 1.00 32.24 H new ATOM 0 HA SER A 68 8.363 -5.137 -6.223 1.00 54.21 H new ATOM 0 HB2 SER A 68 7.166 -4.142 -8.848 1.00 60.54 H new ATOM 0 HB3 SER A 68 8.822 -3.915 -8.320 1.00 60.54 H new ATOM 0 HG SER A 68 8.598 -5.733 -9.753 1.00 74.32 H new ATOM 1109 N GLU A 69 5.992 -2.878 -6.655 1.00 60.12 N ATOM 1110 CA GLU A 69 5.514 -1.580 -6.183 1.00 5.43 C ATOM 1111 C GLU A 69 5.215 -1.624 -4.687 1.00 74.22 C ATOM 1112 O GLU A 69 5.668 -0.769 -3.928 1.00 34.24 O ATOM 1113 CB GLU A 69 4.250 -1.142 -6.936 1.00 13.40 C ATOM 1114 CG GLU A 69 4.431 -0.974 -8.435 1.00 50.52 C ATOM 1115 CD GLU A 69 4.224 -2.263 -9.197 1.00 1.25 C ATOM 1116 OE1 GLU A 69 5.191 -3.038 -9.344 1.00 51.40 O ATOM 1117 OE2 GLU A 69 3.087 -2.506 -9.649 1.00 60.14 O ATOM 0 H GLU A 69 5.381 -3.329 -7.336 1.00 60.12 H new ATOM 0 HA GLU A 69 6.307 -0.857 -6.374 1.00 5.43 H new ATOM 0 HB2 GLU A 69 3.465 -1.877 -6.759 1.00 13.40 H new ATOM 0 HB3 GLU A 69 3.903 -0.197 -6.517 1.00 13.40 H new ATOM 0 HG2 GLU A 69 3.728 -0.225 -8.800 1.00 50.52 H new ATOM 0 HG3 GLU A 69 5.433 -0.595 -8.635 1.00 50.52 H new ATOM 1124 N ALA A 70 4.466 -2.644 -4.267 1.00 41.32 N ATOM 1125 CA ALA A 70 4.060 -2.787 -2.870 1.00 65.53 C ATOM 1126 C ALA A 70 5.271 -2.935 -1.947 1.00 42.04 C ATOM 1127 O ALA A 70 5.197 -2.658 -0.750 1.00 22.22 O ATOM 1128 CB ALA A 70 3.125 -3.978 -2.716 1.00 11.14 C ATOM 0 H ALA A 70 4.127 -3.387 -4.879 1.00 41.32 H new ATOM 0 HA ALA A 70 3.532 -1.879 -2.578 1.00 65.53 H new ATOM 0 HB1 ALA A 70 2.829 -4.075 -1.672 1.00 11.14 H new ATOM 0 HB2 ALA A 70 2.239 -3.827 -3.332 1.00 11.14 H new ATOM 0 HB3 ALA A 70 3.637 -4.886 -3.034 1.00 11.14 H new ATOM 1134 N LYS A 71 6.383 -3.370 -2.515 1.00 11.10 N ATOM 1135 CA LYS A 71 7.608 -3.576 -1.758 1.00 41.33 C ATOM 1136 C LYS A 71 8.323 -2.241 -1.509 1.00 15.31 C ATOM 1137 O LYS A 71 9.088 -2.103 -0.555 1.00 55.43 O ATOM 1138 CB LYS A 71 8.506 -4.560 -2.525 1.00 34.33 C ATOM 1139 CG LYS A 71 9.731 -5.050 -1.764 1.00 32.45 C ATOM 1140 CD LYS A 71 10.957 -4.169 -1.987 1.00 34.35 C ATOM 1141 CE LYS A 71 11.424 -4.176 -3.440 1.00 4.42 C ATOM 1142 NZ LYS A 71 10.631 -3.254 -4.295 1.00 33.43 N ATOM 0 H LYS A 71 6.463 -3.589 -3.508 1.00 11.10 H new ATOM 0 HA LYS A 71 7.371 -3.999 -0.782 1.00 41.33 H new ATOM 0 HB2 LYS A 71 7.907 -5.424 -2.813 1.00 34.33 H new ATOM 0 HB3 LYS A 71 8.838 -4.081 -3.446 1.00 34.33 H new ATOM 0 HG2 LYS A 71 9.502 -5.083 -0.699 1.00 32.45 H new ATOM 0 HG3 LYS A 71 9.961 -6.070 -2.073 1.00 32.45 H new ATOM 0 HD2 LYS A 71 10.725 -3.147 -1.688 1.00 34.35 H new ATOM 0 HD3 LYS A 71 11.769 -4.512 -1.346 1.00 34.35 H new ATOM 0 HE2 LYS A 71 12.475 -3.892 -3.482 1.00 4.42 H new ATOM 0 HE3 LYS A 71 11.351 -5.188 -3.837 1.00 4.42 H new ATOM 0 HZ1 LYS A 71 11.213 -2.937 -5.097 1.00 33.43 H new ATOM 0 HZ2 LYS A 71 9.789 -3.750 -4.652 1.00 33.43 H new ATOM 0 HZ3 LYS A 71 10.335 -2.429 -3.735 1.00 33.43 H new ATOM 1156 N ASP A 72 8.047 -1.252 -2.353 1.00 52.54 N ATOM 1157 CA ASP A 72 8.730 0.040 -2.273 1.00 2.23 C ATOM 1158 C ASP A 72 7.854 1.102 -1.619 1.00 74.12 C ATOM 1159 O ASP A 72 8.165 2.295 -1.667 1.00 72.42 O ATOM 1160 CB ASP A 72 9.163 0.507 -3.667 1.00 4.05 C ATOM 1161 CG ASP A 72 10.551 0.018 -4.043 1.00 12.10 C ATOM 1162 OD1 ASP A 72 11.092 -0.860 -3.337 1.00 54.03 O ATOM 1163 OD2 ASP A 72 11.109 0.502 -5.051 1.00 55.32 O ATOM 0 H ASP A 72 7.356 -1.318 -3.101 1.00 52.54 H new ATOM 0 HA ASP A 72 9.614 -0.098 -1.650 1.00 2.23 H new ATOM 0 HB2 ASP A 72 8.444 0.151 -4.405 1.00 4.05 H new ATOM 0 HB3 ASP A 72 9.144 1.596 -3.703 1.00 4.05 H new ATOM 1168 N ILE A 73 6.766 0.666 -1.000 1.00 21.44 N ATOM 1169 CA ILE A 73 5.865 1.580 -0.307 1.00 71.40 C ATOM 1170 C ILE A 73 5.896 1.313 1.195 1.00 32.21 C ATOM 1171 O ILE A 73 5.720 0.176 1.629 1.00 11.35 O ATOM 1172 CB ILE A 73 4.409 1.442 -0.811 1.00 52.14 C ATOM 1173 CG1 ILE A 73 4.345 1.637 -2.328 1.00 30.33 C ATOM 1174 CG2 ILE A 73 3.504 2.448 -0.107 1.00 1.43 C ATOM 1175 CD1 ILE A 73 2.962 1.421 -2.911 1.00 53.44 C ATOM 0 H ILE A 73 6.485 -0.314 -0.963 1.00 21.44 H new ATOM 0 HA ILE A 73 6.210 2.593 -0.516 1.00 71.40 H new ATOM 0 HB ILE A 73 4.058 0.437 -0.577 1.00 52.14 H new ATOM 0 HG12 ILE A 73 4.679 2.646 -2.570 1.00 30.33 H new ATOM 0 HG13 ILE A 73 5.042 0.948 -2.804 1.00 30.33 H new ATOM 0 HG21 ILE A 73 2.483 2.338 -0.473 1.00 1.43 H new ATOM 0 HG22 ILE A 73 3.526 2.267 0.968 1.00 1.43 H new ATOM 0 HG23 ILE A 73 3.856 3.459 -0.312 1.00 1.43 H new ATOM 0 HD11 ILE A 73 2.993 1.576 -3.989 1.00 53.44 H new ATOM 0 HD12 ILE A 73 2.633 0.403 -2.700 1.00 53.44 H new ATOM 0 HD13 ILE A 73 2.264 2.128 -2.463 1.00 53.44 H new ATOM 1187 N LEU A 74 6.134 2.355 1.982 1.00 1.30 N ATOM 1188 CA LEU A 74 6.150 2.230 3.428 1.00 41.40 C ATOM 1189 C LEU A 74 4.975 2.992 4.028 1.00 2.34 C ATOM 1190 O LEU A 74 4.817 4.194 3.806 1.00 60.32 O ATOM 1191 CB LEU A 74 7.473 2.742 4.000 1.00 32.12 C ATOM 1192 CG LEU A 74 8.719 1.952 3.583 1.00 23.33 C ATOM 1193 CD1 LEU A 74 9.205 2.375 2.206 1.00 41.51 C ATOM 1194 CD2 LEU A 74 9.822 2.114 4.613 1.00 73.24 C ATOM 0 H LEU A 74 6.319 3.297 1.639 1.00 1.30 H new ATOM 0 HA LEU A 74 6.055 1.176 3.689 1.00 41.40 H new ATOM 0 HB2 LEU A 74 7.603 3.781 3.696 1.00 32.12 H new ATOM 0 HB3 LEU A 74 7.406 2.735 5.088 1.00 32.12 H new ATOM 0 HG LEU A 74 8.445 0.898 3.531 1.00 23.33 H new ATOM 0 HD11 LEU A 74 10.090 1.797 1.939 1.00 41.51 H new ATOM 0 HD12 LEU A 74 8.419 2.196 1.472 1.00 41.51 H new ATOM 0 HD13 LEU A 74 9.455 3.436 2.218 1.00 41.51 H new ATOM 0 HD21 LEU A 74 10.698 1.546 4.300 1.00 73.24 H new ATOM 0 HD22 LEU A 74 10.085 3.168 4.702 1.00 73.24 H new ATOM 0 HD23 LEU A 74 9.476 1.744 5.578 1.00 73.24 H new ATOM 1206 N VAL A 75 4.153 2.292 4.790 1.00 11.24 N ATOM 1207 CA VAL A 75 2.895 2.845 5.263 1.00 12.53 C ATOM 1208 C VAL A 75 2.717 2.675 6.767 1.00 34.42 C ATOM 1209 O VAL A 75 3.371 1.838 7.396 1.00 21.55 O ATOM 1210 CB VAL A 75 1.702 2.173 4.545 1.00 60.41 C ATOM 1211 CG1 VAL A 75 1.700 2.514 3.062 1.00 12.33 C ATOM 1212 CG2 VAL A 75 1.744 0.664 4.745 1.00 61.23 C ATOM 0 H VAL A 75 4.335 1.336 5.096 1.00 11.24 H new ATOM 0 HA VAL A 75 2.921 3.911 5.036 1.00 12.53 H new ATOM 0 HB VAL A 75 0.780 2.557 4.983 1.00 60.41 H new ATOM 0 HG11 VAL A 75 0.852 2.030 2.578 1.00 12.33 H new ATOM 0 HG12 VAL A 75 1.621 3.594 2.937 1.00 12.33 H new ATOM 0 HG13 VAL A 75 2.626 2.163 2.607 1.00 12.33 H new ATOM 0 HG21 VAL A 75 0.898 0.205 4.234 1.00 61.23 H new ATOM 0 HG22 VAL A 75 2.673 0.268 4.335 1.00 61.23 H new ATOM 0 HG23 VAL A 75 1.691 0.436 5.810 1.00 61.23 H new ATOM 1222 N GLU A 76 1.833 3.486 7.335 1.00 5.52 N ATOM 1223 CA GLU A 76 1.434 3.335 8.726 1.00 15.20 C ATOM 1224 C GLU A 76 0.030 2.756 8.786 1.00 61.32 C ATOM 1225 O GLU A 76 -0.728 2.852 7.817 1.00 63.40 O ATOM 1226 CB GLU A 76 1.475 4.671 9.478 1.00 1.44 C ATOM 1227 CG GLU A 76 0.515 5.720 8.933 1.00 34.02 C ATOM 1228 CD GLU A 76 0.384 6.927 9.844 1.00 25.11 C ATOM 1229 OE1 GLU A 76 1.417 7.441 10.318 1.00 14.02 O ATOM 1230 OE2 GLU A 76 -0.762 7.353 10.109 1.00 35.45 O ATOM 0 H GLU A 76 1.377 4.259 6.849 1.00 5.52 H new ATOM 0 HA GLU A 76 2.141 2.661 9.210 1.00 15.20 H new ATOM 0 HB2 GLU A 76 1.243 4.492 10.528 1.00 1.44 H new ATOM 0 HB3 GLU A 76 2.490 5.067 9.439 1.00 1.44 H new ATOM 0 HG2 GLU A 76 0.860 6.047 7.952 1.00 34.02 H new ATOM 0 HG3 GLU A 76 -0.467 5.269 8.792 1.00 34.02 H new ATOM 1237 N VAL A 77 -0.317 2.166 9.916 1.00 52.35 N ATOM 1238 CA VAL A 77 -1.613 1.533 10.081 1.00 62.13 C ATOM 1239 C VAL A 77 -2.672 2.565 10.472 1.00 21.52 C ATOM 1240 O VAL A 77 -2.508 3.297 11.448 1.00 34.34 O ATOM 1241 CB VAL A 77 -1.546 0.422 11.149 1.00 74.43 C ATOM 1242 CG1 VAL A 77 -2.880 -0.293 11.280 1.00 53.52 C ATOM 1243 CG2 VAL A 77 -0.436 -0.567 10.823 1.00 54.21 C ATOM 0 H VAL A 77 0.285 2.112 10.738 1.00 52.35 H new ATOM 0 HA VAL A 77 -1.892 1.086 9.127 1.00 62.13 H new ATOM 0 HB VAL A 77 -1.321 0.890 12.108 1.00 74.43 H new ATOM 0 HG11 VAL A 77 -2.803 -1.071 12.040 1.00 53.52 H new ATOM 0 HG12 VAL A 77 -3.649 0.423 11.570 1.00 53.52 H new ATOM 0 HG13 VAL A 77 -3.146 -0.745 10.324 1.00 53.52 H new ATOM 0 HG21 VAL A 77 -0.404 -1.343 11.588 1.00 54.21 H new ATOM 0 HG22 VAL A 77 -0.628 -1.022 9.851 1.00 54.21 H new ATOM 0 HG23 VAL A 77 0.520 -0.045 10.796 1.00 54.21 H new ATOM 1253 N LEU A 78 -3.747 2.634 9.694 1.00 21.42 N ATOM 1254 CA LEU A 78 -4.840 3.558 9.981 1.00 31.32 C ATOM 1255 C LEU A 78 -5.939 2.872 10.776 1.00 11.44 C ATOM 1256 O LEU A 78 -6.921 3.502 11.173 1.00 45.43 O ATOM 1257 CB LEU A 78 -5.422 4.133 8.691 1.00 42.32 C ATOM 1258 CG LEU A 78 -4.537 5.148 7.966 1.00 33.30 C ATOM 1259 CD1 LEU A 78 -5.240 5.675 6.727 1.00 11.51 C ATOM 1260 CD2 LEU A 78 -4.169 6.292 8.896 1.00 14.03 C ATOM 0 H LEU A 78 -3.885 2.062 8.861 1.00 21.42 H new ATOM 0 HA LEU A 78 -4.431 4.373 10.578 1.00 31.32 H new ATOM 0 HB2 LEU A 78 -5.634 3.309 8.009 1.00 42.32 H new ATOM 0 HB3 LEU A 78 -6.375 4.608 8.923 1.00 42.32 H new ATOM 0 HG LEU A 78 -3.620 4.647 7.656 1.00 33.30 H new ATOM 0 HD11 LEU A 78 -4.597 6.396 6.223 1.00 11.51 H new ATOM 0 HD12 LEU A 78 -5.456 4.847 6.052 1.00 11.51 H new ATOM 0 HD13 LEU A 78 -6.172 6.160 7.016 1.00 11.51 H new ATOM 0 HD21 LEU A 78 -3.539 7.005 8.364 1.00 14.03 H new ATOM 0 HD22 LEU A 78 -5.076 6.792 9.235 1.00 14.03 H new ATOM 0 HD23 LEU A 78 -3.627 5.901 9.757 1.00 14.03 H new ATOM 1272 N LEU A 79 -5.769 1.577 10.990 1.00 34.44 N ATOM 1273 CA LEU A 79 -6.716 0.789 11.755 1.00 4.23 C ATOM 1274 C LEU A 79 -6.686 1.182 13.227 1.00 1.34 C ATOM 1275 O LEU A 79 -5.890 0.655 14.007 1.00 73.43 O ATOM 1276 CB LEU A 79 -6.407 -0.704 11.613 1.00 74.24 C ATOM 1277 CG LEU A 79 -6.449 -1.253 10.186 1.00 72.24 C ATOM 1278 CD1 LEU A 79 -6.103 -2.734 10.180 1.00 41.30 C ATOM 1279 CD2 LEU A 79 -7.818 -1.026 9.561 1.00 64.21 C ATOM 0 H LEU A 79 -4.972 1.046 10.638 1.00 34.44 H new ATOM 0 HA LEU A 79 -7.713 0.987 11.361 1.00 4.23 H new ATOM 0 HB2 LEU A 79 -5.417 -0.893 12.027 1.00 74.24 H new ATOM 0 HB3 LEU A 79 -7.119 -1.264 12.220 1.00 74.24 H new ATOM 0 HG LEU A 79 -5.709 -0.718 9.591 1.00 72.24 H new ATOM 0 HD11 LEU A 79 -6.137 -3.111 9.158 1.00 41.30 H new ATOM 0 HD12 LEU A 79 -5.101 -2.875 10.586 1.00 41.30 H new ATOM 0 HD13 LEU A 79 -6.823 -3.278 10.792 1.00 41.30 H new ATOM 0 HD21 LEU A 79 -7.825 -1.424 8.546 1.00 64.21 H new ATOM 0 HD22 LEU A 79 -8.578 -1.533 10.155 1.00 64.21 H new ATOM 0 HD23 LEU A 79 -8.033 0.042 9.533 1.00 64.21 H new ATOM 1291 N GLU A 80 -7.527 2.133 13.589 1.00 23.15 N ATOM 1292 CA GLU A 80 -7.660 2.545 14.974 1.00 33.03 C ATOM 1293 C GLU A 80 -8.917 1.917 15.558 1.00 3.33 C ATOM 1294 O GLU A 80 -9.844 1.590 14.811 1.00 61.31 O ATOM 1295 CB GLU A 80 -7.714 4.073 15.081 1.00 12.51 C ATOM 1296 CG GLU A 80 -7.747 4.589 16.515 1.00 13.21 C ATOM 1297 CD GLU A 80 -7.811 6.099 16.595 1.00 11.50 C ATOM 1298 OE1 GLU A 80 -8.900 6.661 16.363 1.00 3.22 O ATOM 1299 OE2 GLU A 80 -6.772 6.728 16.895 1.00 51.23 O ATOM 0 H GLU A 80 -8.131 2.637 12.940 1.00 23.15 H new ATOM 0 HA GLU A 80 -6.792 2.206 15.539 1.00 33.03 H new ATOM 0 HB2 GLU A 80 -6.846 4.494 14.573 1.00 12.51 H new ATOM 0 HB3 GLU A 80 -8.598 4.434 14.555 1.00 12.51 H new ATOM 0 HG2 GLU A 80 -8.610 4.166 17.028 1.00 13.21 H new ATOM 0 HG3 GLU A 80 -6.859 4.239 17.042 1.00 13.21 H new ATOM 1306 N HIS A 81 -8.935 1.753 16.881 1.00 33.35 N ATOM 1307 CA HIS A 81 -10.034 1.097 17.589 1.00 1.24 C ATOM 1308 C HIS A 81 -9.989 -0.398 17.309 1.00 43.32 C ATOM 1309 O HIS A 81 -10.284 -0.837 16.196 1.00 52.13 O ATOM 1310 CB HIS A 81 -11.403 1.688 17.214 1.00 71.44 C ATOM 1311 CG HIS A 81 -11.495 3.171 17.420 1.00 12.12 C ATOM 1312 ND1 HIS A 81 -11.723 3.749 18.648 1.00 14.15 N ATOM 1313 CD2 HIS A 81 -11.358 4.196 16.546 1.00 72.25 C ATOM 1314 CE1 HIS A 81 -11.730 5.062 18.519 1.00 0.25 C ATOM 1315 NE2 HIS A 81 -11.506 5.362 17.255 1.00 44.44 N ATOM 0 H HIS A 81 -8.185 2.073 17.494 1.00 33.35 H new ATOM 0 HA HIS A 81 -9.906 1.272 18.657 1.00 1.24 H new ATOM 0 HB2 HIS A 81 -11.613 1.461 16.169 1.00 71.44 H new ATOM 0 HB3 HIS A 81 -12.175 1.199 17.808 1.00 71.44 H new ATOM 0 HD2 HIS A 81 -11.167 4.112 15.486 1.00 72.25 H new ATOM 0 HE1 HIS A 81 -11.892 5.773 19.316 1.00 0.25 H new ATOM 0 HE2 HIS A 81 -11.452 6.304 16.868 1.00 44.44 H new ATOM 1324 N HIS A 82 -9.606 -1.158 18.337 1.00 61.10 N ATOM 1325 CA HIS A 82 -9.324 -2.592 18.224 1.00 13.41 C ATOM 1326 C HIS A 82 -7.952 -2.795 17.584 1.00 65.04 C ATOM 1327 O HIS A 82 -7.675 -2.287 16.500 1.00 23.13 O ATOM 1328 CB HIS A 82 -10.405 -3.337 17.433 1.00 61.31 C ATOM 1329 CG HIS A 82 -10.291 -4.825 17.515 1.00 4.30 C ATOM 1330 ND1 HIS A 82 -9.687 -5.593 16.545 1.00 41.23 N ATOM 1331 CD2 HIS A 82 -10.716 -5.689 18.465 1.00 50.35 C ATOM 1332 CE1 HIS A 82 -9.744 -6.863 16.896 1.00 14.14 C ATOM 1333 NE2 HIS A 82 -10.362 -6.949 18.055 1.00 75.25 N ATOM 0 H HIS A 82 -9.481 -0.792 19.281 1.00 61.10 H new ATOM 0 HA HIS A 82 -9.325 -3.013 19.229 1.00 13.41 H new ATOM 0 HB2 HIS A 82 -11.385 -3.036 17.802 1.00 61.31 H new ATOM 0 HB3 HIS A 82 -10.351 -3.034 16.387 1.00 61.31 H new ATOM 0 HD2 HIS A 82 -11.237 -5.434 19.376 1.00 50.35 H new ATOM 0 HE1 HIS A 82 -9.350 -7.693 16.328 1.00 14.14 H new ATOM 0 HE2 HIS A 82 -10.547 -7.812 18.565 1.00 75.25 H new ATOM 1342 N HIS A 83 -7.104 -3.548 18.262 1.00 12.10 N ATOM 1343 CA HIS A 83 -5.713 -3.708 17.845 1.00 33.02 C ATOM 1344 C HIS A 83 -5.604 -4.743 16.736 1.00 1.31 C ATOM 1345 O HIS A 83 -6.515 -5.553 16.544 1.00 13.52 O ATOM 1346 CB HIS A 83 -4.840 -4.121 19.037 1.00 1.21 C ATOM 1347 CG HIS A 83 -5.000 -3.228 20.229 1.00 25.24 C ATOM 1348 ND1 HIS A 83 -4.435 -1.973 20.319 1.00 10.32 N ATOM 1349 CD2 HIS A 83 -5.696 -3.404 21.375 1.00 25.15 C ATOM 1350 CE1 HIS A 83 -4.780 -1.419 21.465 1.00 44.44 C ATOM 1351 NE2 HIS A 83 -5.548 -2.266 22.124 1.00 13.31 N ATOM 0 H HIS A 83 -7.351 -4.062 19.108 1.00 12.10 H new ATOM 0 HA HIS A 83 -5.358 -2.750 17.465 1.00 33.02 H new ATOM 0 HB2 HIS A 83 -5.088 -5.143 19.322 1.00 1.21 H new ATOM 0 HB3 HIS A 83 -3.794 -4.120 18.730 1.00 1.21 H new ATOM 0 HD2 HIS A 83 -6.264 -4.280 21.650 1.00 25.15 H new ATOM 0 HE1 HIS A 83 -4.484 -0.438 21.806 1.00 44.44 H new ATOM 0 HE2 HIS A 83 -5.963 -2.101 23.041 1.00 13.31 H new ATOM 1360 N HIS A 84 -4.499 -4.721 16.003 1.00 54.50 N ATOM 1361 CA HIS A 84 -4.319 -5.657 14.905 1.00 40.12 C ATOM 1362 C HIS A 84 -2.851 -6.019 14.721 1.00 53.12 C ATOM 1363 O HIS A 84 -2.091 -5.288 14.087 1.00 21.54 O ATOM 1364 CB HIS A 84 -4.884 -5.070 13.610 1.00 64.22 C ATOM 1365 CG HIS A 84 -5.322 -6.110 12.631 1.00 21.22 C ATOM 1366 ND1 HIS A 84 -6.640 -6.479 12.478 1.00 53.04 N ATOM 1367 CD2 HIS A 84 -4.619 -6.866 11.755 1.00 70.10 C ATOM 1368 CE1 HIS A 84 -6.728 -7.417 11.557 1.00 32.44 C ATOM 1369 NE2 HIS A 84 -5.520 -7.668 11.103 1.00 2.44 N ATOM 0 H HIS A 84 -3.724 -4.074 16.147 1.00 54.50 H new ATOM 0 HA HIS A 84 -4.863 -6.569 15.150 1.00 40.12 H new ATOM 0 HB2 HIS A 84 -5.731 -4.427 13.850 1.00 64.22 H new ATOM 0 HB3 HIS A 84 -4.127 -4.439 13.145 1.00 64.22 H new ATOM 0 HD2 HIS A 84 -3.551 -6.842 11.599 1.00 70.10 H new ATOM 0 HE1 HIS A 84 -7.638 -7.898 11.230 1.00 32.44 H new ATOM 0 HE2 HIS A 84 -5.290 -8.351 10.381 1.00 2.44 H new ATOM 1378 N HIS A 85 -2.464 -7.145 15.299 1.00 0.03 N ATOM 1379 CA HIS A 85 -1.119 -7.690 15.142 1.00 41.34 C ATOM 1380 C HIS A 85 -1.161 -9.205 15.252 1.00 32.41 C ATOM 1381 O HIS A 85 -1.722 -9.748 16.203 1.00 23.21 O ATOM 1382 CB HIS A 85 -0.150 -7.133 16.196 1.00 73.21 C ATOM 1383 CG HIS A 85 0.469 -5.820 15.833 1.00 22.23 C ATOM 1384 ND1 HIS A 85 0.351 -4.694 16.612 1.00 33.31 N ATOM 1385 CD2 HIS A 85 1.241 -5.463 14.780 1.00 71.32 C ATOM 1386 CE1 HIS A 85 1.020 -3.704 16.058 1.00 1.22 C ATOM 1387 NE2 HIS A 85 1.574 -4.141 14.944 1.00 21.34 N ATOM 0 H HIS A 85 -3.072 -7.710 15.892 1.00 0.03 H new ATOM 0 HA HIS A 85 -0.757 -7.393 14.158 1.00 41.34 H new ATOM 0 HB2 HIS A 85 -0.684 -7.021 17.140 1.00 73.21 H new ATOM 0 HB3 HIS A 85 0.644 -7.861 16.363 1.00 73.21 H new ATOM 0 HD2 HIS A 85 1.540 -6.101 13.961 1.00 71.32 H new ATOM 0 HE1 HIS A 85 1.101 -2.701 16.451 1.00 1.22 H new ATOM 0 HE2 HIS A 85 2.153 -3.590 14.310 1.00 21.34 H new ATOM 1396 N HIS A 86 -0.577 -9.884 14.281 1.00 44.13 N ATOM 1397 CA HIS A 86 -0.528 -11.337 14.307 1.00 44.51 C ATOM 1398 C HIS A 86 0.814 -11.798 14.858 1.00 2.31 C ATOM 1399 O HIS A 86 1.857 -11.374 14.321 1.00 37.66 O ATOM 1400 CB HIS A 86 -0.798 -11.945 12.917 1.00 4.10 C ATOM 1401 CG HIS A 86 0.267 -11.693 11.892 1.00 13.11 C ATOM 1402 ND1 HIS A 86 1.226 -12.625 11.561 1.00 34.34 N ATOM 1403 CD2 HIS A 86 0.503 -10.620 11.103 1.00 42.33 C ATOM 1404 CE1 HIS A 86 2.009 -12.134 10.619 1.00 55.50 C ATOM 1405 NE2 HIS A 86 1.588 -10.921 10.323 1.00 12.31 N ATOM 1406 OXT HIS A 86 0.821 -12.564 15.842 1.00 37.66 O ATOM 0 H HIS A 86 -0.132 -9.457 13.469 1.00 44.13 H new ATOM 0 HA HIS A 86 -1.321 -11.693 14.965 1.00 44.51 H new ATOM 0 HB2 HIS A 86 -0.926 -13.022 13.028 1.00 4.10 H new ATOM 0 HB3 HIS A 86 -1.742 -11.549 12.542 1.00 4.10 H new ATOM 0 HD2 HIS A 86 -0.059 -9.698 11.090 1.00 42.33 H new ATOM 0 HE1 HIS A 86 2.850 -12.639 10.168 1.00 55.50 H new ATOM 0 HE2 HIS A 86 2.004 -10.305 9.625 1.00 12.31 H new TER 1415 HIS A 86