USER MOD reduce.3.24.130724 H: found=0, std=0, add=624, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 624 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 72 ASN : amide:sc= -0.583 K(o=-0.46,f=-2.3!) USER MOD Set 1.2: A 75 HIS : no HD1:sc= 0 X(o=-0.46,f=-0.46) USER MOD Set 1.3: A 76 HIS :FLIP no HE2:sc= 0.12 F(o=-1.4,f=-0.46) USER MOD Set 2.1: A 56 HIS : +bothHN:sc= 0.25 K(o=-1.7,f=-4.4) USER MOD Set 2.2: A 57 GLN : amide:sc= -1.94 K(o=-1.7,f=-3.6) USER MOD Set 3.1: A 51 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 52 ASN :FLIP amide:sc= -0.0265 F(o=-2!,f=-0.026) USER MOD Set 4.1: A 7 THR OG1 : rot 168:sc= 0.721 USER MOD Set 4.2: A 42 HIS : no HE2:sc= 0.703 K(o=1.4,f=-2.3) USER MOD Set 5.1: A 28 HIS : no HE2:sc= 1.05 K(o=2.3,f=-4.8!) USER MOD Set 5.2: A 53 TYR OH : rot -30:sc= 1.3 USER MOD Set 6.1: A 10 ASN :FLIP amide:sc= 0 F(o=-2.4,f=-1.1) USER MOD Set 6.2: A 13 MET CE :methyl -133:sc= -1.13 (180deg=-3.9!) USER MOD Single : A 1 MET CE :methyl -166:sc= -0.0306 (180deg=-0.278) USER MOD Single : A 1 MET N :NH3+ -170:sc=-0.00598 (180deg=-0.139) USER MOD Single : A 6 MET CE :methyl -133:sc= 0 (180deg=-2.03!) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 GLN :FLIP amide:sc= -0.81 F(o=-1.7,f=-0.81) USER MOD Single : A 17 ASN : amide:sc= 0.672 K(o=0.67,f=0) USER MOD Single : A 19 ASN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 20 THR OG1 : rot -123:sc= 1.1 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 GLN : amide:sc= -0.269 X(o=-0.27,f=-0.55) USER MOD Single : A 48 TYR OH : rot -104:sc= 1.28 USER MOD Single : A 50 MET CE :methyl -177:sc= -1.73 (180deg=-1.77) USER MOD Single : A 54 THR OG1 : rot 46:sc= 0.894 USER MOD Single : A 61 THR OG1 : rot 77:sc= 0.726 USER MOD Single : A 62 THR OG1 : rot 77:sc= 0.914 USER MOD Single : A 63 ASN :FLIP amide:sc= -0.86 F(o=-3.4,f=-0.86) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 69 TYR OH : rot 30:sc= -1.45! USER MOD Single : A 70 MET CE :methyl 163:sc= -0.128 (180deg=-0.528) USER MOD Single : A 77 HIS : no HE2:sc= 0.848 K(o=0.85,f=-2.6!) USER MOD Single : A 78 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 79 HIS : no HE2:sc= -0.37 K(o=-0.37,f=-1.2) USER MOD Single : A 80 HIS : no HE2:sc= -0.271 K(o=-0.27,f=-1.2) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 18.384 -6.775 0.553 1.00 2.43 N ATOM 2 CA MET A 1 18.135 -7.663 -0.613 1.00 44.11 C ATOM 3 C MET A 1 17.612 -9.034 -0.159 1.00 62.00 C ATOM 4 O MET A 1 18.378 -9.887 0.298 1.00 11.01 O ATOM 5 CB MET A 1 19.418 -7.837 -1.441 1.00 35.42 C ATOM 6 CG MET A 1 20.009 -6.525 -1.943 1.00 3.12 C ATOM 7 SD MET A 1 18.843 -5.577 -2.940 1.00 21.10 S ATOM 8 CE MET A 1 18.622 -6.661 -4.352 1.00 3.42 C ATOM 0 H1 MET A 1 18.572 -5.808 0.219 1.00 2.43 H new ATOM 0 H2 MET A 1 17.548 -6.771 1.171 1.00 2.43 H new ATOM 0 H3 MET A 1 19.207 -7.124 1.085 1.00 2.43 H new ATOM 0 HA MET A 1 17.374 -7.193 -1.236 1.00 44.11 H new ATOM 0 HB2 MET A 1 20.163 -8.352 -0.835 1.00 35.42 H new ATOM 0 HB3 MET A 1 19.203 -8.479 -2.296 1.00 35.42 H new ATOM 0 HG2 MET A 1 20.326 -5.924 -1.091 1.00 3.12 H new ATOM 0 HG3 MET A 1 20.900 -6.735 -2.534 1.00 3.12 H new ATOM 0 HE1 MET A 1 18.134 -6.113 -5.158 1.00 3.42 H new ATOM 0 HE2 MET A 1 19.594 -7.018 -4.692 1.00 3.42 H new ATOM 0 HE3 MET A 1 18.003 -7.511 -4.065 1.00 3.42 H new ATOM 20 N ALA A 2 16.302 -9.232 -0.276 1.00 14.11 N ATOM 21 CA ALA A 2 15.657 -10.494 0.105 1.00 14.41 C ATOM 22 C ALA A 2 14.258 -10.599 -0.518 1.00 74.03 C ATOM 23 O ALA A 2 13.263 -10.197 0.090 1.00 11.31 O ATOM 24 CB ALA A 2 15.578 -10.622 1.625 1.00 31.22 C ATOM 0 H ALA A 2 15.657 -8.529 -0.635 1.00 14.11 H new ATOM 0 HA ALA A 2 16.264 -11.315 -0.277 1.00 14.41 H new ATOM 0 HB1 ALA A 2 15.097 -11.564 1.886 1.00 31.22 H new ATOM 0 HB2 ALA A 2 16.584 -10.600 2.045 1.00 31.22 H new ATOM 0 HB3 ALA A 2 14.997 -9.793 2.030 1.00 31.22 H new ATOM 30 N GLY A 3 14.192 -11.122 -1.742 1.00 64.22 N ATOM 31 CA GLY A 3 12.927 -11.177 -2.474 1.00 70.53 C ATOM 32 C GLY A 3 12.523 -9.820 -3.050 1.00 22.14 C ATOM 33 O GLY A 3 12.359 -9.671 -4.264 1.00 10.55 O ATOM 0 H GLY A 3 14.991 -11.510 -2.244 1.00 64.22 H new ATOM 0 HA2 GLY A 3 13.011 -11.901 -3.284 1.00 70.53 H new ATOM 0 HA3 GLY A 3 12.141 -11.534 -1.808 1.00 70.53 H new ATOM 37 N ASP A 4 12.350 -8.840 -2.159 1.00 33.24 N ATOM 38 CA ASP A 4 12.068 -7.450 -2.536 1.00 50.11 C ATOM 39 C ASP A 4 10.849 -7.334 -3.476 1.00 64.21 C ATOM 40 O ASP A 4 10.996 -7.127 -4.686 1.00 71.15 O ATOM 41 CB ASP A 4 13.309 -6.810 -3.177 1.00 64.11 C ATOM 42 CG ASP A 4 14.542 -6.917 -2.291 1.00 4.45 C ATOM 43 OD1 ASP A 4 14.699 -6.084 -1.373 1.00 32.25 O ATOM 44 OD2 ASP A 4 15.358 -7.837 -2.504 1.00 74.51 O ATOM 0 H ASP A 4 12.402 -8.988 -1.151 1.00 33.24 H new ATOM 0 HA ASP A 4 11.818 -6.909 -1.623 1.00 50.11 H new ATOM 0 HB2 ASP A 4 13.510 -7.292 -4.134 1.00 64.11 H new ATOM 0 HB3 ASP A 4 13.106 -5.760 -3.386 1.00 64.11 H new ATOM 49 N PRO A 5 9.620 -7.475 -2.929 1.00 51.45 N ATOM 50 CA PRO A 5 8.384 -7.382 -3.726 1.00 20.41 C ATOM 51 C PRO A 5 8.168 -5.978 -4.318 1.00 13.34 C ATOM 52 O PRO A 5 7.935 -5.833 -5.518 1.00 11.14 O ATOM 53 CB PRO A 5 7.276 -7.731 -2.715 1.00 44.22 C ATOM 54 CG PRO A 5 7.874 -7.452 -1.375 1.00 35.45 C ATOM 55 CD PRO A 5 9.343 -7.753 -1.506 1.00 14.34 C ATOM 0 HA PRO A 5 8.406 -8.045 -4.591 1.00 20.41 H new ATOM 0 HB2 PRO A 5 6.384 -7.127 -2.883 1.00 44.22 H new ATOM 0 HB3 PRO A 5 6.975 -8.775 -2.804 1.00 44.22 H new ATOM 0 HG2 PRO A 5 7.713 -6.414 -1.084 1.00 35.45 H new ATOM 0 HG3 PRO A 5 7.415 -8.073 -0.606 1.00 35.45 H new ATOM 0 HD2 PRO A 5 9.943 -7.124 -0.849 1.00 14.34 H new ATOM 0 HD3 PRO A 5 9.566 -8.788 -1.247 1.00 14.34 H new ATOM 63 N MET A 6 8.237 -4.954 -3.458 1.00 33.33 N ATOM 64 CA MET A 6 8.093 -3.549 -3.878 1.00 61.45 C ATOM 65 C MET A 6 6.780 -3.289 -4.646 1.00 10.33 C ATOM 66 O MET A 6 6.680 -2.320 -5.394 1.00 63.21 O ATOM 67 CB MET A 6 9.297 -3.124 -4.735 1.00 65.43 C ATOM 68 CG MET A 6 10.637 -3.224 -4.013 1.00 64.25 C ATOM 69 SD MET A 6 12.013 -2.645 -5.025 1.00 74.33 S ATOM 70 CE MET A 6 13.404 -2.933 -3.932 1.00 12.30 C ATOM 0 H MET A 6 8.393 -5.072 -2.457 1.00 33.33 H new ATOM 0 HA MET A 6 8.058 -2.948 -2.969 1.00 61.45 H new ATOM 0 HB2 MET A 6 9.331 -3.745 -5.630 1.00 65.43 H new ATOM 0 HB3 MET A 6 9.150 -2.096 -5.066 1.00 65.43 H new ATOM 0 HG2 MET A 6 10.595 -2.639 -3.094 1.00 64.25 H new ATOM 0 HG3 MET A 6 10.814 -4.260 -3.724 1.00 64.25 H new ATOM 0 HE1 MET A 6 14.041 -2.049 -3.913 1.00 12.30 H new ATOM 0 HE2 MET A 6 13.039 -3.140 -2.926 1.00 12.30 H new ATOM 0 HE3 MET A 6 13.979 -3.786 -4.292 1.00 12.30 H new ATOM 80 N THR A 7 5.771 -4.136 -4.425 1.00 10.02 N ATOM 81 CA THR A 7 4.474 -4.004 -5.110 1.00 24.01 C ATOM 82 C THR A 7 3.830 -2.632 -4.854 1.00 21.11 C ATOM 83 O THR A 7 3.566 -1.877 -5.790 1.00 25.11 O ATOM 84 CB THR A 7 3.489 -5.115 -4.671 1.00 73.14 C ATOM 85 OG1 THR A 7 3.281 -5.058 -3.250 1.00 3.20 O ATOM 86 CG2 THR A 7 4.018 -6.495 -5.053 1.00 43.30 C ATOM 0 H THR A 7 5.823 -4.922 -3.777 1.00 10.02 H new ATOM 0 HA THR A 7 4.677 -4.104 -6.176 1.00 24.01 H new ATOM 0 HB THR A 7 2.542 -4.949 -5.185 1.00 73.14 H new ATOM 0 HG1 THR A 7 2.524 -5.631 -3.007 1.00 3.20 H new ATOM 0 HG21 THR A 7 3.308 -7.258 -4.734 1.00 43.30 H new ATOM 0 HG22 THR A 7 4.147 -6.549 -6.134 1.00 43.30 H new ATOM 0 HG23 THR A 7 4.977 -6.665 -4.564 1.00 43.30 H new ATOM 94 N PHE A 8 3.586 -2.313 -3.582 1.00 62.24 N ATOM 95 CA PHE A 8 3.052 -0.996 -3.191 1.00 75.33 C ATOM 96 C PHE A 8 3.871 0.151 -3.816 1.00 42.22 C ATOM 97 O PHE A 8 3.317 1.126 -4.329 1.00 51.03 O ATOM 98 CB PHE A 8 3.051 -0.876 -1.658 1.00 5.34 C ATOM 99 CG PHE A 8 2.560 0.457 -1.139 1.00 41.14 C ATOM 100 CD1 PHE A 8 1.203 0.727 -1.052 1.00 51.34 C ATOM 101 CD2 PHE A 8 3.460 1.435 -0.736 1.00 14.34 C ATOM 102 CE1 PHE A 8 0.753 1.943 -0.575 1.00 13.44 C ATOM 103 CE2 PHE A 8 3.013 2.654 -0.259 1.00 3.41 C ATOM 104 CZ PHE A 8 1.658 2.908 -0.179 1.00 21.43 C ATOM 0 H PHE A 8 3.748 -2.946 -2.799 1.00 62.24 H new ATOM 0 HA PHE A 8 2.031 -0.914 -3.564 1.00 75.33 H new ATOM 0 HB2 PHE A 8 2.426 -1.667 -1.244 1.00 5.34 H new ATOM 0 HB3 PHE A 8 4.063 -1.045 -1.291 1.00 5.34 H new ATOM 0 HD1 PHE A 8 0.489 -0.022 -1.361 1.00 51.34 H new ATOM 0 HD2 PHE A 8 4.521 1.242 -0.796 1.00 14.34 H new ATOM 0 HE1 PHE A 8 -0.307 2.139 -0.512 1.00 13.44 H new ATOM 0 HE2 PHE A 8 3.723 3.407 0.051 1.00 3.41 H new ATOM 0 HZ PHE A 8 1.307 3.859 0.192 1.00 21.43 H new ATOM 114 N TYR A 9 5.194 0.010 -3.772 1.00 45.11 N ATOM 115 CA TYR A 9 6.114 0.983 -4.374 1.00 43.10 C ATOM 116 C TYR A 9 5.855 1.135 -5.880 1.00 50.34 C ATOM 117 O TYR A 9 5.730 2.248 -6.392 1.00 43.33 O ATOM 118 CB TYR A 9 7.563 0.537 -4.114 1.00 12.23 C ATOM 119 CG TYR A 9 8.628 1.358 -4.825 1.00 13.11 C ATOM 120 CD1 TYR A 9 8.999 2.615 -4.358 1.00 24.20 C ATOM 121 CD2 TYR A 9 9.271 0.867 -5.960 1.00 22.31 C ATOM 122 CE1 TYR A 9 9.973 3.355 -5.000 1.00 20.45 C ATOM 123 CE2 TYR A 9 10.246 1.602 -6.604 1.00 62.24 C ATOM 124 CZ TYR A 9 10.594 2.844 -6.121 1.00 62.54 C ATOM 125 OH TYR A 9 11.567 3.578 -6.762 1.00 3.34 O ATOM 0 H TYR A 9 5.661 -0.777 -3.321 1.00 45.11 H new ATOM 0 HA TYR A 9 5.947 1.958 -3.915 1.00 43.10 H new ATOM 0 HB2 TYR A 9 7.752 0.576 -3.041 1.00 12.23 H new ATOM 0 HB3 TYR A 9 7.666 -0.505 -4.418 1.00 12.23 H new ATOM 0 HD1 TYR A 9 8.518 3.019 -3.479 1.00 24.20 H new ATOM 0 HD2 TYR A 9 9.001 -0.106 -6.343 1.00 22.31 H new ATOM 0 HE1 TYR A 9 10.247 4.330 -4.626 1.00 20.45 H new ATOM 0 HE2 TYR A 9 10.733 1.205 -7.482 1.00 62.24 H new ATOM 0 HH TYR A 9 11.903 3.074 -7.532 1.00 3.34 H new ATOM 135 N ASN A 10 5.752 0.006 -6.578 1.00 64.45 N ATOM 136 CA ASN A 10 5.507 -0.004 -8.024 1.00 12.52 C ATOM 137 C ASN A 10 4.186 0.703 -8.377 1.00 21.41 C ATOM 138 O ASN A 10 4.101 1.419 -9.378 1.00 62.01 O ATOM 139 CB ASN A 10 5.494 -1.454 -8.536 1.00 5.22 C ATOM 140 CG ASN A 10 5.226 -1.573 -10.028 1.00 72.21 C ATOM 141 OD1 ASN A 10 5.640 -0.586 -10.798 1.00 62.23 O flip ATOM 142 ND2 ASN A 10 4.657 -2.556 -10.489 1.00 50.15 N flip ATOM 0 H ASN A 10 5.835 -0.922 -6.164 1.00 64.45 H new ATOM 0 HA ASN A 10 6.312 0.545 -8.512 1.00 12.52 H new ATOM 0 HB2 ASN A 10 6.454 -1.918 -8.310 1.00 5.22 H new ATOM 0 HB3 ASN A 10 4.733 -2.015 -7.993 1.00 5.22 H new ATOM 0 HD21 ASN A 10 4.348 -3.304 -9.868 1.00 50.15 H new ATOM 0 HD22 ASN A 10 4.493 -2.626 -11.493 1.00 50.15 H new ATOM 149 N PHE A 11 3.168 0.500 -7.545 1.00 1.24 N ATOM 150 CA PHE A 11 1.851 1.114 -7.753 1.00 72.03 C ATOM 151 C PHE A 11 1.901 2.647 -7.615 1.00 22.41 C ATOM 152 O PHE A 11 1.454 3.378 -8.504 1.00 60.01 O ATOM 153 CB PHE A 11 0.849 0.539 -6.741 1.00 30.00 C ATOM 154 CG PHE A 11 -0.562 1.059 -6.895 1.00 42.13 C ATOM 155 CD1 PHE A 11 -1.435 0.478 -7.805 1.00 61.24 C ATOM 156 CD2 PHE A 11 -1.016 2.123 -6.126 1.00 63.23 C ATOM 157 CE1 PHE A 11 -2.726 0.947 -7.947 1.00 30.22 C ATOM 158 CE2 PHE A 11 -2.307 2.594 -6.264 1.00 62.13 C ATOM 159 CZ PHE A 11 -3.162 2.006 -7.176 1.00 71.34 C ATOM 0 H PHE A 11 3.227 -0.088 -6.714 1.00 1.24 H new ATOM 0 HA PHE A 11 1.534 0.882 -8.770 1.00 72.03 H new ATOM 0 HB2 PHE A 11 0.836 -0.547 -6.838 1.00 30.00 H new ATOM 0 HB3 PHE A 11 1.199 0.765 -5.734 1.00 30.00 H new ATOM 0 HD1 PHE A 11 -1.100 -0.352 -8.410 1.00 61.24 H new ATOM 0 HD2 PHE A 11 -0.352 2.587 -5.412 1.00 63.23 H new ATOM 0 HE1 PHE A 11 -3.394 0.486 -8.660 1.00 30.22 H new ATOM 0 HE2 PHE A 11 -2.648 3.421 -5.659 1.00 62.13 H new ATOM 0 HZ PHE A 11 -4.171 2.375 -7.286 1.00 71.34 H new ATOM 169 N ILE A 12 2.447 3.123 -6.499 1.00 10.42 N ATOM 170 CA ILE A 12 2.404 4.552 -6.159 1.00 60.15 C ATOM 171 C ILE A 12 3.265 5.429 -7.102 1.00 52.23 C ATOM 172 O ILE A 12 2.975 6.613 -7.286 1.00 72.02 O ATOM 173 CB ILE A 12 2.836 4.780 -4.686 1.00 15.30 C ATOM 174 CG1 ILE A 12 2.550 6.226 -4.244 1.00 74.25 C ATOM 175 CG2 ILE A 12 4.314 4.438 -4.491 1.00 42.22 C ATOM 176 CD1 ILE A 12 1.079 6.586 -4.245 1.00 70.02 C ATOM 0 H ILE A 12 2.926 2.543 -5.810 1.00 10.42 H new ATOM 0 HA ILE A 12 1.368 4.863 -6.290 1.00 60.15 H new ATOM 0 HB ILE A 12 2.246 4.112 -4.058 1.00 15.30 H new ATOM 0 HG12 ILE A 12 2.950 6.375 -3.241 1.00 74.25 H new ATOM 0 HG13 ILE A 12 3.082 6.910 -4.905 1.00 74.25 H new ATOM 0 HG21 ILE A 12 4.592 4.606 -3.451 1.00 42.22 H new ATOM 0 HG22 ILE A 12 4.482 3.392 -4.747 1.00 42.22 H new ATOM 0 HG23 ILE A 12 4.922 5.072 -5.136 1.00 42.22 H new ATOM 0 HD11 ILE A 12 0.957 7.620 -3.922 1.00 70.02 H new ATOM 0 HD12 ILE A 12 0.677 6.470 -5.251 1.00 70.02 H new ATOM 0 HD13 ILE A 12 0.543 5.927 -3.562 1.00 70.02 H new ATOM 188 N MET A 13 4.308 4.847 -7.708 1.00 30.12 N ATOM 189 CA MET A 13 5.224 5.611 -8.584 1.00 44.32 C ATOM 190 C MET A 13 4.478 6.374 -9.695 1.00 32.31 C ATOM 191 O MET A 13 4.879 7.477 -10.075 1.00 21.24 O ATOM 192 CB MET A 13 6.274 4.696 -9.229 1.00 4.15 C ATOM 193 CG MET A 13 7.272 4.102 -8.248 1.00 62.34 C ATOM 194 SD MET A 13 8.667 3.309 -9.076 1.00 20.43 S ATOM 195 CE MET A 13 7.831 2.125 -10.127 1.00 30.05 C ATOM 0 H MET A 13 4.543 3.859 -7.613 1.00 30.12 H new ATOM 0 HA MET A 13 5.717 6.337 -7.938 1.00 44.32 H new ATOM 0 HB2 MET A 13 5.763 3.884 -9.746 1.00 4.15 H new ATOM 0 HB3 MET A 13 6.818 5.263 -9.985 1.00 4.15 H new ATOM 0 HG2 MET A 13 7.643 4.889 -7.591 1.00 62.34 H new ATOM 0 HG3 MET A 13 6.766 3.372 -7.617 1.00 62.34 H new ATOM 0 HE1 MET A 13 8.315 1.152 -10.036 1.00 30.05 H new ATOM 0 HE2 MET A 13 6.788 2.041 -9.823 1.00 30.05 H new ATOM 0 HE3 MET A 13 7.881 2.459 -11.163 1.00 30.05 H new ATOM 205 N GLY A 14 3.397 5.787 -10.207 1.00 53.31 N ATOM 206 CA GLY A 14 2.638 6.412 -11.288 1.00 20.40 C ATOM 207 C GLY A 14 2.066 7.783 -10.925 1.00 21.41 C ATOM 208 O GLY A 14 1.901 8.645 -11.791 1.00 53.24 O ATOM 0 H GLY A 14 3.030 4.888 -9.894 1.00 53.31 H new ATOM 0 HA2 GLY A 14 3.284 6.517 -12.160 1.00 20.40 H new ATOM 0 HA3 GLY A 14 1.820 5.751 -11.575 1.00 20.40 H new ATOM 212 N PHE A 15 1.780 7.988 -9.641 1.00 22.41 N ATOM 213 CA PHE A 15 1.175 9.241 -9.163 1.00 1.01 C ATOM 214 C PHE A 15 2.244 10.271 -8.750 1.00 13.23 C ATOM 215 O PHE A 15 1.923 11.411 -8.412 1.00 73.21 O ATOM 216 CB PHE A 15 0.241 8.950 -7.981 1.00 61.22 C ATOM 217 CG PHE A 15 -0.825 7.923 -8.287 1.00 24.01 C ATOM 218 CD1 PHE A 15 -1.992 8.288 -8.944 1.00 71.15 C ATOM 219 CD2 PHE A 15 -0.657 6.592 -7.922 1.00 10.45 C ATOM 220 CE1 PHE A 15 -2.966 7.350 -9.231 1.00 72.12 C ATOM 221 CE2 PHE A 15 -1.631 5.651 -8.208 1.00 45.23 C ATOM 222 CZ PHE A 15 -2.785 6.031 -8.863 1.00 12.45 C ATOM 0 H PHE A 15 1.956 7.303 -8.906 1.00 22.41 H new ATOM 0 HA PHE A 15 0.603 9.671 -9.985 1.00 1.01 H new ATOM 0 HB2 PHE A 15 0.836 8.602 -7.136 1.00 61.22 H new ATOM 0 HB3 PHE A 15 -0.239 9.878 -7.672 1.00 61.22 H new ATOM 0 HD1 PHE A 15 -2.141 9.317 -9.235 1.00 71.15 H new ATOM 0 HD2 PHE A 15 0.244 6.289 -7.409 1.00 10.45 H new ATOM 0 HE1 PHE A 15 -3.869 7.649 -9.743 1.00 72.12 H new ATOM 0 HE2 PHE A 15 -1.488 4.620 -7.919 1.00 45.23 H new ATOM 0 HZ PHE A 15 -3.546 5.298 -9.088 1.00 12.45 H new ATOM 232 N GLN A 16 3.511 9.865 -8.791 1.00 4.24 N ATOM 233 CA GLN A 16 4.632 10.745 -8.425 1.00 72.35 C ATOM 234 C GLN A 16 5.010 11.666 -9.604 1.00 41.42 C ATOM 235 O GLN A 16 5.751 12.630 -9.443 1.00 75.21 O ATOM 236 CB GLN A 16 5.837 9.880 -7.993 1.00 41.22 C ATOM 237 CG GLN A 16 6.784 10.519 -6.967 1.00 13.12 C ATOM 238 CD GLN A 16 7.705 11.588 -7.541 1.00 22.52 C ATOM 239 OE1 GLN A 16 7.320 12.842 -7.426 1.00 73.30 O flip ATOM 240 NE2 GLN A 16 8.775 11.284 -8.058 1.00 10.41 N flip ATOM 0 H GLN A 16 3.794 8.927 -9.075 1.00 4.24 H new ATOM 0 HA GLN A 16 4.333 11.382 -7.593 1.00 72.35 H new ATOM 0 HB2 GLN A 16 5.459 8.946 -7.578 1.00 41.22 H new ATOM 0 HB3 GLN A 16 6.414 9.624 -8.882 1.00 41.22 H new ATOM 0 HG2 GLN A 16 6.189 10.960 -6.167 1.00 13.12 H new ATOM 0 HG3 GLN A 16 7.393 9.736 -6.516 1.00 13.12 H new ATOM 0 HE21 GLN A 16 9.045 10.303 -8.132 1.00 10.41 H new ATOM 0 HE22 GLN A 16 9.395 12.012 -8.413 1.00 10.41 H new ATOM 249 N ASN A 17 4.466 11.371 -10.788 1.00 64.51 N ATOM 250 CA ASN A 17 4.766 12.141 -12.006 1.00 63.45 C ATOM 251 C ASN A 17 4.491 13.648 -11.828 1.00 43.50 C ATOM 252 O ASN A 17 5.168 14.485 -12.426 1.00 61.45 O ATOM 253 CB ASN A 17 3.947 11.594 -13.184 1.00 24.04 C ATOM 254 CG ASN A 17 4.305 12.252 -14.509 1.00 61.04 C ATOM 255 OD1 ASN A 17 5.197 11.802 -15.219 1.00 62.31 O ATOM 256 ND2 ASN A 17 3.613 13.318 -14.861 1.00 24.13 N ATOM 0 H ASN A 17 3.812 10.602 -10.933 1.00 64.51 H new ATOM 0 HA ASN A 17 5.831 12.027 -12.210 1.00 63.45 H new ATOM 0 HB2 ASN A 17 4.107 10.519 -13.263 1.00 24.04 H new ATOM 0 HB3 ASN A 17 2.886 11.745 -12.984 1.00 24.04 H new ATOM 0 HD21 ASN A 17 3.815 13.789 -15.743 1.00 24.13 H new ATOM 0 HD22 ASN A 17 2.876 13.672 -14.251 1.00 24.13 H new ATOM 263 N ASP A 18 3.499 13.986 -11.007 1.00 34.43 N ATOM 264 CA ASP A 18 3.128 15.388 -10.772 1.00 54.12 C ATOM 265 C ASP A 18 3.088 15.734 -9.275 1.00 21.14 C ATOM 266 O ASP A 18 3.162 14.856 -8.413 1.00 35.15 O ATOM 267 CB ASP A 18 1.765 15.687 -11.408 1.00 11.12 C ATOM 268 CG ASP A 18 1.832 15.737 -12.922 1.00 25.32 C ATOM 269 OD1 ASP A 18 2.300 16.763 -13.463 1.00 43.22 O ATOM 270 OD2 ASP A 18 1.421 14.758 -13.578 1.00 24.43 O ATOM 0 H ASP A 18 2.935 13.311 -10.491 1.00 34.43 H new ATOM 0 HA ASP A 18 3.896 16.007 -11.235 1.00 54.12 H new ATOM 0 HB2 ASP A 18 1.050 14.923 -11.104 1.00 11.12 H new ATOM 0 HB3 ASP A 18 1.393 16.640 -11.032 1.00 11.12 H new ATOM 275 N ASN A 19 2.966 17.029 -8.981 1.00 42.20 N ATOM 276 CA ASN A 19 2.850 17.511 -7.602 1.00 72.51 C ATOM 277 C ASN A 19 1.526 17.051 -6.968 1.00 13.41 C ATOM 278 O ASN A 19 0.496 17.717 -7.091 1.00 33.14 O ATOM 279 CB ASN A 19 2.951 19.043 -7.565 1.00 41.41 C ATOM 280 CG ASN A 19 4.266 19.550 -8.127 1.00 54.14 C ATOM 281 OD1 ASN A 19 5.292 18.886 -8.036 1.00 40.21 O ATOM 282 ND2 ASN A 19 4.248 20.725 -8.721 1.00 20.13 N ATOM 0 H ASN A 19 2.945 17.768 -9.684 1.00 42.20 H new ATOM 0 HA ASN A 19 3.671 17.087 -7.023 1.00 72.51 H new ATOM 0 HB2 ASN A 19 2.126 19.473 -8.134 1.00 41.41 H new ATOM 0 HB3 ASN A 19 2.842 19.387 -6.536 1.00 41.41 H new ATOM 0 HD21 ASN A 19 5.105 21.107 -9.122 1.00 20.13 H new ATOM 0 HD22 ASN A 19 3.377 21.253 -8.780 1.00 20.13 H new ATOM 289 N THR A 20 1.557 15.883 -6.331 1.00 60.22 N ATOM 290 CA THR A 20 0.373 15.312 -5.669 1.00 73.54 C ATOM 291 C THR A 20 0.734 14.763 -4.282 1.00 2.44 C ATOM 292 O THR A 20 1.887 14.393 -4.039 1.00 51.43 O ATOM 293 CB THR A 20 -0.249 14.148 -6.492 1.00 51.01 C ATOM 294 OG1 THR A 20 0.629 13.009 -6.476 1.00 63.03 O ATOM 295 CG2 THR A 20 -0.523 14.566 -7.935 1.00 61.44 C ATOM 0 H THR A 20 2.394 15.305 -6.256 1.00 60.22 H new ATOM 0 HA THR A 20 -0.350 16.123 -5.584 1.00 73.54 H new ATOM 0 HB THR A 20 -1.200 13.885 -6.029 1.00 51.01 H new ATOM 0 HG1 THR A 20 0.852 12.755 -7.396 1.00 63.03 H new ATOM 0 HG21 THR A 20 -0.957 13.728 -8.480 1.00 61.44 H new ATOM 0 HG22 THR A 20 -1.219 15.405 -7.945 1.00 61.44 H new ATOM 0 HG23 THR A 20 0.411 14.864 -8.411 1.00 61.44 H new ATOM 303 N PRO A 21 -0.241 14.698 -3.349 1.00 54.24 N ATOM 304 CA PRO A 21 -0.034 14.049 -2.038 1.00 3.51 C ATOM 305 C PRO A 21 0.508 12.618 -2.191 1.00 20.11 C ATOM 306 O PRO A 21 1.325 12.154 -1.394 1.00 43.04 O ATOM 307 CB PRO A 21 -1.441 14.040 -1.422 1.00 51.33 C ATOM 308 CG PRO A 21 -2.144 15.188 -2.073 1.00 52.34 C ATOM 309 CD PRO A 21 -1.600 15.267 -3.476 1.00 63.22 C ATOM 0 HA PRO A 21 0.702 14.569 -1.425 1.00 3.51 H new ATOM 0 HB2 PRO A 21 -1.954 13.098 -1.618 1.00 51.33 H new ATOM 0 HB3 PRO A 21 -1.401 14.162 -0.340 1.00 51.33 H new ATOM 0 HG2 PRO A 21 -3.223 15.031 -2.081 1.00 52.34 H new ATOM 0 HG3 PRO A 21 -1.961 16.116 -1.531 1.00 52.34 H new ATOM 0 HD2 PRO A 21 -2.210 14.697 -4.176 1.00 63.22 H new ATOM 0 HD3 PRO A 21 -1.573 16.294 -3.839 1.00 63.22 H new ATOM 317 N PHE A 22 0.050 11.933 -3.241 1.00 52.54 N ATOM 318 CA PHE A 22 0.535 10.591 -3.578 1.00 42.31 C ATOM 319 C PHE A 22 2.028 10.620 -3.945 1.00 53.14 C ATOM 320 O PHE A 22 2.785 9.718 -3.584 1.00 25.44 O ATOM 321 CB PHE A 22 -0.268 10.016 -4.752 1.00 21.45 C ATOM 322 CG PHE A 22 -1.754 9.934 -4.499 1.00 30.11 C ATOM 323 CD1 PHE A 22 -2.317 8.799 -3.932 1.00 54.41 C ATOM 324 CD2 PHE A 22 -2.587 10.993 -4.831 1.00 14.02 C ATOM 325 CE1 PHE A 22 -3.678 8.722 -3.703 1.00 10.42 C ATOM 326 CE2 PHE A 22 -3.948 10.922 -4.604 1.00 31.32 C ATOM 327 CZ PHE A 22 -4.496 9.786 -4.039 1.00 42.11 C ATOM 0 H PHE A 22 -0.663 12.289 -3.878 1.00 52.54 H new ATOM 0 HA PHE A 22 0.403 9.957 -2.701 1.00 42.31 H new ATOM 0 HB2 PHE A 22 -0.094 10.632 -5.634 1.00 21.45 H new ATOM 0 HB3 PHE A 22 0.107 9.018 -4.981 1.00 21.45 H new ATOM 0 HD1 PHE A 22 -1.684 7.965 -3.666 1.00 54.41 H new ATOM 0 HD2 PHE A 22 -2.166 11.884 -5.273 1.00 14.02 H new ATOM 0 HE1 PHE A 22 -4.102 7.832 -3.262 1.00 10.42 H new ATOM 0 HE2 PHE A 22 -4.584 11.754 -4.868 1.00 31.32 H new ATOM 0 HZ PHE A 22 -5.560 9.729 -3.860 1.00 42.11 H new ATOM 337 N GLY A 23 2.437 11.661 -4.672 1.00 65.11 N ATOM 338 CA GLY A 23 3.844 11.841 -5.008 1.00 2.34 C ATOM 339 C GLY A 23 4.719 12.038 -3.775 1.00 11.44 C ATOM 340 O GLY A 23 5.824 11.501 -3.694 1.00 54.42 O ATOM 0 H GLY A 23 1.817 12.385 -5.035 1.00 65.11 H new ATOM 0 HA2 GLY A 23 4.195 10.972 -5.564 1.00 2.34 H new ATOM 0 HA3 GLY A 23 3.949 12.704 -5.666 1.00 2.34 H new ATOM 344 N ILE A 24 4.219 12.814 -2.812 1.00 35.01 N ATOM 345 CA ILE A 24 4.913 13.012 -1.531 1.00 65.13 C ATOM 346 C ILE A 24 4.990 11.691 -0.745 1.00 51.32 C ATOM 347 O ILE A 24 5.993 11.398 -0.086 1.00 32.34 O ATOM 348 CB ILE A 24 4.200 14.088 -0.667 1.00 32.13 C ATOM 349 CG1 ILE A 24 4.083 15.417 -1.438 1.00 14.04 C ATOM 350 CG2 ILE A 24 4.933 14.297 0.659 1.00 53.44 C ATOM 351 CD1 ILE A 24 5.413 16.026 -1.835 1.00 72.15 C ATOM 0 H ILE A 24 3.336 13.318 -2.892 1.00 35.01 H new ATOM 0 HA ILE A 24 5.923 13.356 -1.755 1.00 65.13 H new ATOM 0 HB ILE A 24 3.194 13.731 -0.446 1.00 32.13 H new ATOM 0 HG12 ILE A 24 3.490 15.251 -2.337 1.00 14.04 H new ATOM 0 HG13 ILE A 24 3.537 16.133 -0.824 1.00 14.04 H new ATOM 0 HG21 ILE A 24 4.414 15.055 1.246 1.00 53.44 H new ATOM 0 HG22 ILE A 24 4.954 13.360 1.215 1.00 53.44 H new ATOM 0 HG23 ILE A 24 5.954 14.626 0.463 1.00 53.44 H new ATOM 0 HD11 ILE A 24 5.240 16.958 -2.373 1.00 72.15 H new ATOM 0 HD12 ILE A 24 6.003 16.227 -0.941 1.00 72.15 H new ATOM 0 HD13 ILE A 24 5.954 15.331 -2.477 1.00 72.15 H new ATOM 363 N LEU A 25 3.922 10.901 -0.816 1.00 31.23 N ATOM 364 CA LEU A 25 3.896 9.564 -0.210 1.00 74.44 C ATOM 365 C LEU A 25 4.984 8.675 -0.838 1.00 32.25 C ATOM 366 O LEU A 25 5.830 8.119 -0.132 1.00 73.23 O ATOM 367 CB LEU A 25 2.490 8.947 -0.389 1.00 52.54 C ATOM 368 CG LEU A 25 2.196 7.627 0.364 1.00 65.25 C ATOM 369 CD1 LEU A 25 2.851 6.426 -0.318 1.00 71.35 C ATOM 370 CD2 LEU A 25 2.636 7.726 1.826 1.00 13.30 C ATOM 0 H LEU A 25 3.057 11.162 -1.289 1.00 31.23 H new ATOM 0 HA LEU A 25 4.107 9.639 0.857 1.00 74.44 H new ATOM 0 HB2 LEU A 25 1.754 9.687 -0.074 1.00 52.54 H new ATOM 0 HB3 LEU A 25 2.331 8.772 -1.453 1.00 52.54 H new ATOM 0 HG LEU A 25 1.118 7.470 0.337 1.00 65.25 H new ATOM 0 HD11 LEU A 25 2.620 5.519 0.242 1.00 71.35 H new ATOM 0 HD12 LEU A 25 2.469 6.332 -1.335 1.00 71.35 H new ATOM 0 HD13 LEU A 25 3.931 6.569 -0.348 1.00 71.35 H new ATOM 0 HD21 LEU A 25 2.420 6.787 2.335 1.00 13.30 H new ATOM 0 HD22 LEU A 25 3.707 7.925 1.871 1.00 13.30 H new ATOM 0 HD23 LEU A 25 2.096 8.537 2.315 1.00 13.30 H new ATOM 382 N ALA A 26 4.960 8.564 -2.169 1.00 34.33 N ATOM 383 CA ALA A 26 5.959 7.786 -2.912 1.00 15.15 C ATOM 384 C ALA A 26 7.389 8.220 -2.569 1.00 51.24 C ATOM 385 O ALA A 26 8.260 7.389 -2.305 1.00 72.23 O ATOM 386 CB ALA A 26 5.719 7.930 -4.411 1.00 12.13 C ATOM 0 H ALA A 26 4.255 9.006 -2.759 1.00 34.33 H new ATOM 0 HA ALA A 26 5.850 6.741 -2.621 1.00 15.15 H new ATOM 0 HB1 ALA A 26 6.464 7.350 -4.956 1.00 12.13 H new ATOM 0 HB2 ALA A 26 4.722 7.563 -4.657 1.00 12.13 H new ATOM 0 HB3 ALA A 26 5.799 8.980 -4.693 1.00 12.13 H new ATOM 392 N GLU A 27 7.613 9.530 -2.574 1.00 11.55 N ATOM 393 CA GLU A 27 8.917 10.114 -2.242 1.00 74.43 C ATOM 394 C GLU A 27 9.434 9.624 -0.878 1.00 50.52 C ATOM 395 O GLU A 27 10.593 9.219 -0.744 1.00 1.53 O ATOM 396 CB GLU A 27 8.793 11.645 -2.229 1.00 60.32 C ATOM 397 CG GLU A 27 10.078 12.380 -1.864 1.00 5.41 C ATOM 398 CD GLU A 27 9.879 13.884 -1.779 1.00 43.34 C ATOM 399 OE1 GLU A 27 9.898 14.555 -2.831 1.00 1.42 O ATOM 400 OE2 GLU A 27 9.691 14.403 -0.660 1.00 24.43 O ATOM 0 H GLU A 27 6.899 10.220 -2.808 1.00 11.55 H new ATOM 0 HA GLU A 27 9.634 9.797 -2.999 1.00 74.43 H new ATOM 0 HB2 GLU A 27 8.466 11.979 -3.214 1.00 60.32 H new ATOM 0 HB3 GLU A 27 8.014 11.928 -1.521 1.00 60.32 H new ATOM 0 HG2 GLU A 27 10.446 12.010 -0.907 1.00 5.41 H new ATOM 0 HG3 GLU A 27 10.844 12.159 -2.607 1.00 5.41 H new ATOM 407 N HIS A 28 8.562 9.652 0.127 1.00 40.43 N ATOM 408 CA HIS A 28 8.941 9.285 1.493 1.00 30.14 C ATOM 409 C HIS A 28 9.139 7.765 1.650 1.00 53.42 C ATOM 410 O HIS A 28 10.137 7.323 2.217 1.00 12.24 O ATOM 411 CB HIS A 28 7.881 9.787 2.481 1.00 3.24 C ATOM 412 CG HIS A 28 8.274 9.646 3.922 1.00 61.41 C ATOM 413 ND1 HIS A 28 9.143 10.514 4.550 1.00 33.13 N ATOM 414 CD2 HIS A 28 7.904 8.745 4.866 1.00 13.41 C ATOM 415 CE1 HIS A 28 9.288 10.158 5.810 1.00 13.14 C ATOM 416 NE2 HIS A 28 8.550 9.090 6.027 1.00 40.41 N ATOM 0 H HIS A 28 7.585 9.926 0.023 1.00 40.43 H new ATOM 0 HA HIS A 28 9.897 9.761 1.710 1.00 30.14 H new ATOM 0 HB2 HIS A 28 7.673 10.837 2.273 1.00 3.24 H new ATOM 0 HB3 HIS A 28 6.954 9.239 2.313 1.00 3.24 H new ATOM 0 HD1 HIS A 28 9.603 11.309 4.107 1.00 33.13 H new ATOM 0 HD2 HIS A 28 7.229 7.913 4.730 1.00 13.41 H new ATOM 0 HE1 HIS A 28 9.907 10.657 6.541 1.00 13.14 H new ATOM 425 N VAL A 29 8.190 6.968 1.151 1.00 62.55 N ATOM 426 CA VAL A 29 8.275 5.500 1.267 1.00 31.03 C ATOM 427 C VAL A 29 9.448 4.932 0.451 1.00 65.33 C ATOM 428 O VAL A 29 10.004 3.887 0.787 1.00 4.13 O ATOM 429 CB VAL A 29 6.955 4.804 0.840 1.00 24.02 C ATOM 430 CG1 VAL A 29 5.787 5.298 1.691 1.00 25.15 C ATOM 431 CG2 VAL A 29 6.674 5.014 -0.645 1.00 45.42 C ATOM 0 H VAL A 29 7.359 7.306 0.666 1.00 62.55 H new ATOM 0 HA VAL A 29 8.448 5.288 2.322 1.00 31.03 H new ATOM 0 HB VAL A 29 7.071 3.733 1.006 1.00 24.02 H new ATOM 0 HG11 VAL A 29 4.871 4.798 1.376 1.00 25.15 H new ATOM 0 HG12 VAL A 29 5.981 5.074 2.740 1.00 25.15 H new ATOM 0 HG13 VAL A 29 5.675 6.375 1.565 1.00 25.15 H new ATOM 0 HG21 VAL A 29 5.743 4.515 -0.913 1.00 45.42 H new ATOM 0 HG22 VAL A 29 6.586 6.081 -0.851 1.00 45.42 H new ATOM 0 HG23 VAL A 29 7.492 4.597 -1.233 1.00 45.42 H new ATOM 441 N SER A 30 9.820 5.627 -0.624 1.00 42.01 N ATOM 442 CA SER A 30 10.995 5.250 -1.425 1.00 55.02 C ATOM 443 C SER A 30 12.296 5.462 -0.635 1.00 3.21 C ATOM 444 O SER A 30 13.331 4.866 -0.942 1.00 13.11 O ATOM 445 CB SER A 30 11.051 6.069 -2.724 1.00 30.24 C ATOM 446 OG SER A 30 12.213 5.762 -3.482 1.00 55.40 O ATOM 0 H SER A 30 9.328 6.454 -0.964 1.00 42.01 H new ATOM 0 HA SER A 30 10.899 4.192 -1.668 1.00 55.02 H new ATOM 0 HB2 SER A 30 10.162 5.868 -3.321 1.00 30.24 H new ATOM 0 HB3 SER A 30 11.041 7.133 -2.486 1.00 30.24 H new ATOM 0 HG SER A 30 12.219 6.298 -4.303 1.00 55.40 H new ATOM 452 N GLU A 31 12.233 6.317 0.381 1.00 2.03 N ATOM 453 CA GLU A 31 13.399 6.637 1.207 1.00 45.42 C ATOM 454 C GLU A 31 13.376 5.847 2.529 1.00 31.23 C ATOM 455 O GLU A 31 14.206 4.959 2.742 1.00 5.13 O ATOM 456 CB GLU A 31 13.425 8.145 1.483 1.00 42.41 C ATOM 457 CG GLU A 31 14.646 8.614 2.261 1.00 5.21 C ATOM 458 CD GLU A 31 14.600 10.103 2.557 1.00 42.21 C ATOM 459 OE1 GLU A 31 13.960 10.492 3.557 1.00 4.22 O ATOM 460 OE2 GLU A 31 15.192 10.889 1.787 1.00 32.24 O ATOM 0 H GLU A 31 11.381 6.806 0.656 1.00 2.03 H new ATOM 0 HA GLU A 31 14.302 6.350 0.668 1.00 45.42 H new ATOM 0 HB2 GLU A 31 13.386 8.678 0.533 1.00 42.41 H new ATOM 0 HB3 GLU A 31 12.527 8.417 2.038 1.00 42.41 H new ATOM 0 HG2 GLU A 31 14.712 8.061 3.198 1.00 5.21 H new ATOM 0 HG3 GLU A 31 15.547 8.386 1.692 1.00 5.21 H new ATOM 467 N ASP A 32 12.415 6.175 3.402 1.00 0.51 N ATOM 468 CA ASP A 32 12.245 5.499 4.701 1.00 34.23 C ATOM 469 C ASP A 32 13.437 5.766 5.650 1.00 62.23 C ATOM 470 O ASP A 32 14.463 6.321 5.247 1.00 73.04 O ATOM 471 CB ASP A 32 12.033 3.987 4.481 1.00 12.02 C ATOM 472 CG ASP A 32 11.757 3.224 5.767 1.00 43.35 C ATOM 473 OD1 ASP A 32 10.682 3.425 6.368 1.00 33.14 O ATOM 474 OD2 ASP A 32 12.620 2.429 6.192 1.00 11.34 O ATOM 0 H ASP A 32 11.733 6.914 3.231 1.00 0.51 H new ATOM 0 HA ASP A 32 11.360 5.912 5.186 1.00 34.23 H new ATOM 0 HB2 ASP A 32 11.200 3.840 3.794 1.00 12.02 H new ATOM 0 HB3 ASP A 32 12.918 3.569 4.002 1.00 12.02 H new ATOM 479 N LYS A 33 13.286 5.388 6.921 1.00 54.43 N ATOM 480 CA LYS A 33 14.367 5.514 7.909 1.00 41.53 C ATOM 481 C LYS A 33 15.336 4.311 7.809 1.00 14.43 C ATOM 482 O LYS A 33 16.244 4.146 8.632 1.00 73.20 O ATOM 483 CB LYS A 33 13.757 5.629 9.318 1.00 24.33 C ATOM 484 CG LYS A 33 14.751 6.008 10.418 1.00 11.24 C ATOM 485 CD LYS A 33 14.046 6.222 11.758 1.00 71.31 C ATOM 486 CE LYS A 33 15.034 6.434 12.903 1.00 11.43 C ATOM 487 NZ LYS A 33 14.348 6.568 14.218 1.00 23.41 N ATOM 0 H LYS A 33 12.424 4.991 7.294 1.00 54.43 H new ATOM 0 HA LYS A 33 14.945 6.415 7.705 1.00 41.53 H new ATOM 0 HB2 LYS A 33 12.961 6.373 9.295 1.00 24.33 H new ATOM 0 HB3 LYS A 33 13.295 4.677 9.578 1.00 24.33 H new ATOM 0 HG2 LYS A 33 15.500 5.222 10.520 1.00 11.24 H new ATOM 0 HG3 LYS A 33 15.280 6.918 10.134 1.00 11.24 H new ATOM 0 HD2 LYS A 33 13.386 7.086 11.685 1.00 71.31 H new ATOM 0 HD3 LYS A 33 13.418 5.359 11.978 1.00 71.31 H new ATOM 0 HE2 LYS A 33 15.729 5.595 12.941 1.00 11.43 H new ATOM 0 HE3 LYS A 33 15.625 7.329 12.710 1.00 11.43 H new ATOM 0 HZ1 LYS A 33 15.056 6.710 14.966 1.00 23.41 H new ATOM 0 HZ2 LYS A 33 13.703 7.384 14.192 1.00 23.41 H new ATOM 0 HZ3 LYS A 33 13.805 5.704 14.416 1.00 23.41 H new ATOM 501 N ALA A 34 15.118 3.482 6.782 1.00 53.11 N ATOM 502 CA ALA A 34 15.965 2.324 6.472 1.00 44.42 C ATOM 503 C ALA A 34 15.791 1.186 7.489 1.00 54.40 C ATOM 504 O ALA A 34 16.737 0.797 8.181 1.00 35.14 O ATOM 505 CB ALA A 34 17.431 2.735 6.345 1.00 31.04 C ATOM 0 H ALA A 34 14.339 3.598 6.134 1.00 53.11 H new ATOM 0 HA ALA A 34 15.636 1.937 5.507 1.00 44.42 H new ATOM 0 HB1 ALA A 34 18.036 1.858 6.115 1.00 31.04 H new ATOM 0 HB2 ALA A 34 17.535 3.468 5.545 1.00 31.04 H new ATOM 0 HB3 ALA A 34 17.769 3.173 7.284 1.00 31.04 H new ATOM 511 N PHE A 35 14.574 0.652 7.574 1.00 63.41 N ATOM 512 CA PHE A 35 14.284 -0.504 8.432 1.00 63.14 C ATOM 513 C PHE A 35 13.688 -1.670 7.625 1.00 13.54 C ATOM 514 O PHE A 35 12.751 -1.482 6.855 1.00 12.33 O ATOM 515 CB PHE A 35 13.303 -0.131 9.554 1.00 43.44 C ATOM 516 CG PHE A 35 13.863 0.810 10.584 1.00 24.41 C ATOM 517 CD1 PHE A 35 15.034 0.502 11.262 1.00 1.51 C ATOM 518 CD2 PHE A 35 13.213 1.995 10.887 1.00 73.43 C ATOM 519 CE1 PHE A 35 15.544 1.360 12.216 1.00 30.44 C ATOM 520 CE2 PHE A 35 13.717 2.852 11.840 1.00 73.54 C ATOM 521 CZ PHE A 35 14.884 2.536 12.506 1.00 33.20 C ATOM 0 H PHE A 35 13.767 1.001 7.058 1.00 63.41 H new ATOM 0 HA PHE A 35 15.234 -0.816 8.866 1.00 63.14 H new ATOM 0 HB2 PHE A 35 12.417 0.323 9.109 1.00 43.44 H new ATOM 0 HB3 PHE A 35 12.977 -1.044 10.053 1.00 43.44 H new ATOM 0 HD1 PHE A 35 15.552 -0.419 11.041 1.00 1.51 H new ATOM 0 HD2 PHE A 35 12.300 2.250 10.370 1.00 73.43 H new ATOM 0 HE1 PHE A 35 16.458 1.111 12.734 1.00 30.44 H new ATOM 0 HE2 PHE A 35 13.199 3.772 12.066 1.00 73.54 H new ATOM 0 HZ PHE A 35 15.280 3.208 13.253 1.00 33.20 H new ATOM 531 N PRO A 36 14.223 -2.893 7.785 1.00 55.51 N ATOM 532 CA PRO A 36 13.619 -4.093 7.200 1.00 52.35 C ATOM 533 C PRO A 36 12.536 -4.697 8.116 1.00 41.51 C ATOM 534 O PRO A 36 12.846 -5.331 9.126 1.00 12.52 O ATOM 535 CB PRO A 36 14.818 -5.034 7.062 1.00 1.41 C ATOM 536 CG PRO A 36 15.726 -4.666 8.197 1.00 4.23 C ATOM 537 CD PRO A 36 15.469 -3.205 8.514 1.00 4.14 C ATOM 0 HA PRO A 36 13.105 -3.897 6.259 1.00 52.35 H new ATOM 0 HB2 PRO A 36 14.511 -6.078 7.124 1.00 1.41 H new ATOM 0 HB3 PRO A 36 15.314 -4.904 6.100 1.00 1.41 H new ATOM 0 HG2 PRO A 36 15.527 -5.290 9.068 1.00 4.23 H new ATOM 0 HG3 PRO A 36 16.769 -4.824 7.923 1.00 4.23 H new ATOM 0 HD2 PRO A 36 15.355 -3.044 9.586 1.00 4.14 H new ATOM 0 HD3 PRO A 36 16.294 -2.574 8.183 1.00 4.14 H new ATOM 545 N ARG A 37 11.261 -4.476 7.780 1.00 42.02 N ATOM 546 CA ARG A 37 10.153 -4.977 8.609 1.00 71.04 C ATOM 547 C ARG A 37 9.612 -6.325 8.099 1.00 51.31 C ATOM 548 O ARG A 37 8.731 -6.916 8.727 1.00 55.13 O ATOM 549 CB ARG A 37 8.998 -3.957 8.664 1.00 2.33 C ATOM 550 CG ARG A 37 9.319 -2.641 9.375 1.00 50.30 C ATOM 551 CD ARG A 37 10.209 -1.722 8.543 1.00 33.00 C ATOM 552 NE ARG A 37 9.612 -1.384 7.252 1.00 75.20 N ATOM 553 CZ ARG A 37 9.727 -0.226 6.659 1.00 41.55 C ATOM 554 NH1 ARG A 37 10.396 0.739 7.209 1.00 13.42 N ATOM 555 NH2 ARG A 37 9.169 -0.043 5.510 1.00 61.23 N ATOM 0 H ARG A 37 10.970 -3.960 6.950 1.00 42.02 H new ATOM 0 HA ARG A 37 10.558 -5.124 9.610 1.00 71.04 H new ATOM 0 HB2 ARG A 37 8.685 -3.733 7.644 1.00 2.33 H new ATOM 0 HB3 ARG A 37 8.148 -4.422 9.163 1.00 2.33 H new ATOM 0 HG2 ARG A 37 8.389 -2.124 9.610 1.00 50.30 H new ATOM 0 HG3 ARG A 37 9.812 -2.856 10.323 1.00 50.30 H new ATOM 0 HD2 ARG A 37 10.403 -0.806 9.101 1.00 33.00 H new ATOM 0 HD3 ARG A 37 11.172 -2.205 8.379 1.00 33.00 H new ATOM 0 HE ARG A 37 9.066 -2.105 6.780 1.00 75.20 H new ATOM 0 HH11 ARG A 37 10.841 0.599 8.116 1.00 13.42 H new ATOM 0 HH12 ARG A 37 10.478 1.638 6.734 1.00 13.42 H new ATOM 0 HH21 ARG A 37 8.643 -0.799 5.072 1.00 61.23 H new ATOM 0 HH22 ARG A 37 9.254 0.858 5.040 1.00 61.23 H new ATOM 569 N LEU A 38 10.157 -6.815 6.984 1.00 2.33 N ATOM 570 CA LEU A 38 9.628 -8.013 6.304 1.00 15.32 C ATOM 571 C LEU A 38 8.196 -7.746 5.811 1.00 31.42 C ATOM 572 O LEU A 38 7.227 -7.862 6.567 1.00 64.21 O ATOM 573 CB LEU A 38 9.671 -9.249 7.225 1.00 1.20 C ATOM 574 CG LEU A 38 11.052 -9.585 7.821 1.00 15.21 C ATOM 575 CD1 LEU A 38 10.977 -10.831 8.701 1.00 34.14 C ATOM 576 CD2 LEU A 38 12.092 -9.764 6.715 1.00 42.40 C ATOM 0 H LEU A 38 10.969 -6.402 6.526 1.00 2.33 H new ATOM 0 HA LEU A 38 10.263 -8.227 5.444 1.00 15.32 H new ATOM 0 HB2 LEU A 38 8.969 -9.094 8.044 1.00 1.20 H new ATOM 0 HB3 LEU A 38 9.318 -10.113 6.662 1.00 1.20 H new ATOM 0 HG LEU A 38 11.362 -8.748 8.446 1.00 15.21 H new ATOM 0 HD11 LEU A 38 11.964 -11.048 9.110 1.00 34.14 H new ATOM 0 HD12 LEU A 38 10.276 -10.658 9.517 1.00 34.14 H new ATOM 0 HD13 LEU A 38 10.638 -11.678 8.105 1.00 34.14 H new ATOM 0 HD21 LEU A 38 13.059 -10.000 7.159 1.00 42.40 H new ATOM 0 HD22 LEU A 38 11.787 -10.577 6.057 1.00 42.40 H new ATOM 0 HD23 LEU A 38 12.173 -8.842 6.139 1.00 42.40 H new ATOM 588 N GLU A 39 8.075 -7.386 4.535 1.00 63.13 N ATOM 589 CA GLU A 39 6.831 -6.816 3.997 1.00 53.52 C ATOM 590 C GLU A 39 6.421 -7.477 2.672 1.00 52.54 C ATOM 591 O GLU A 39 6.065 -6.806 1.701 1.00 73.13 O ATOM 592 CB GLU A 39 7.023 -5.296 3.834 1.00 72.02 C ATOM 593 CG GLU A 39 7.190 -4.572 5.174 1.00 21.10 C ATOM 594 CD GLU A 39 8.139 -3.384 5.116 1.00 3.43 C ATOM 595 OE1 GLU A 39 7.683 -2.258 4.835 1.00 4.35 O ATOM 596 OE2 GLU A 39 9.346 -3.573 5.393 1.00 32.51 O ATOM 0 H GLU A 39 8.824 -7.477 3.848 1.00 63.13 H new ATOM 0 HA GLU A 39 6.016 -7.011 4.694 1.00 53.52 H new ATOM 0 HB2 GLU A 39 7.900 -5.110 3.214 1.00 72.02 H new ATOM 0 HB3 GLU A 39 6.165 -4.880 3.306 1.00 72.02 H new ATOM 0 HG2 GLU A 39 6.213 -4.229 5.515 1.00 21.10 H new ATOM 0 HG3 GLU A 39 7.556 -5.281 5.917 1.00 21.10 H new ATOM 603 N GLU A 40 6.448 -8.807 2.655 1.00 32.04 N ATOM 604 CA GLU A 40 6.010 -9.585 1.492 1.00 65.02 C ATOM 605 C GLU A 40 4.484 -9.506 1.335 1.00 74.14 C ATOM 606 O GLU A 40 3.966 -9.221 0.253 1.00 70.25 O ATOM 607 CB GLU A 40 6.435 -11.059 1.630 1.00 3.22 C ATOM 608 CG GLU A 40 7.943 -11.287 1.746 1.00 10.03 C ATOM 609 CD GLU A 40 8.545 -10.726 3.028 1.00 71.31 C ATOM 610 OE1 GLU A 40 8.130 -11.159 4.128 1.00 50.42 O ATOM 611 OE2 GLU A 40 9.426 -9.841 2.945 1.00 34.33 O ATOM 0 H GLU A 40 6.771 -9.375 3.438 1.00 32.04 H new ATOM 0 HA GLU A 40 6.485 -9.160 0.607 1.00 65.02 H new ATOM 0 HB2 GLU A 40 5.950 -11.481 2.510 1.00 3.22 H new ATOM 0 HB3 GLU A 40 6.064 -11.611 0.766 1.00 3.22 H new ATOM 0 HG2 GLU A 40 8.146 -12.357 1.697 1.00 10.03 H new ATOM 0 HG3 GLU A 40 8.439 -10.829 0.890 1.00 10.03 H new ATOM 618 N ARG A 41 3.774 -9.759 2.434 1.00 24.30 N ATOM 619 CA ARG A 41 2.310 -9.693 2.452 1.00 73.54 C ATOM 620 C ARG A 41 1.814 -8.269 2.760 1.00 42.11 C ATOM 621 O ARG A 41 2.063 -7.735 3.838 1.00 23.44 O ATOM 622 CB ARG A 41 1.756 -10.697 3.478 1.00 71.32 C ATOM 623 CG ARG A 41 1.948 -12.156 3.059 1.00 65.01 C ATOM 624 CD ARG A 41 1.068 -12.509 1.860 1.00 52.44 C ATOM 625 NE ARG A 41 1.416 -13.798 1.262 1.00 44.12 N ATOM 626 CZ ARG A 41 0.596 -14.811 1.160 1.00 54.55 C ATOM 627 NH1 ARG A 41 -0.578 -14.774 1.710 1.00 54.10 N ATOM 628 NH2 ARG A 41 0.969 -15.874 0.527 1.00 53.32 N ATOM 0 H ARG A 41 4.191 -10.013 3.330 1.00 24.30 H new ATOM 0 HA ARG A 41 1.943 -9.957 1.460 1.00 73.54 H new ATOM 0 HB2 ARG A 41 2.247 -10.534 4.438 1.00 71.32 H new ATOM 0 HB3 ARG A 41 0.693 -10.505 3.627 1.00 71.32 H new ATOM 0 HG2 ARG A 41 2.994 -12.330 2.809 1.00 65.01 H new ATOM 0 HG3 ARG A 41 1.707 -12.812 3.896 1.00 65.01 H new ATOM 0 HD2 ARG A 41 0.024 -12.529 2.174 1.00 52.44 H new ATOM 0 HD3 ARG A 41 1.159 -11.727 1.106 1.00 52.44 H new ATOM 0 HE ARG A 41 2.363 -13.914 0.900 1.00 44.12 H new ATOM 0 HH11 ARG A 41 -0.872 -13.947 2.230 1.00 54.10 H new ATOM 0 HH12 ARG A 41 -1.208 -15.572 1.622 1.00 54.10 H new ATOM 0 HH21 ARG A 41 1.899 -15.919 0.110 1.00 53.32 H new ATOM 0 HH22 ARG A 41 0.334 -16.668 0.444 1.00 53.32 H new ATOM 642 N HIS A 42 1.086 -7.679 1.805 1.00 33.31 N ATOM 643 CA HIS A 42 0.609 -6.283 1.896 1.00 62.03 C ATOM 644 C HIS A 42 0.016 -5.928 3.277 1.00 55.31 C ATOM 645 O HIS A 42 0.218 -4.824 3.783 1.00 51.22 O ATOM 646 CB HIS A 42 -0.462 -6.028 0.823 1.00 43.13 C ATOM 647 CG HIS A 42 -0.014 -6.331 -0.573 1.00 45.54 C ATOM 648 ND1 HIS A 42 -0.340 -7.501 -1.226 1.00 72.43 N ATOM 649 CD2 HIS A 42 0.717 -5.605 -1.455 1.00 65.33 C ATOM 650 CE1 HIS A 42 0.171 -7.484 -2.438 1.00 64.52 C ATOM 651 NE2 HIS A 42 0.813 -6.348 -2.602 1.00 51.21 N ATOM 0 H HIS A 42 0.808 -8.151 0.945 1.00 33.31 H new ATOM 0 HA HIS A 42 1.483 -5.650 1.741 1.00 62.03 H new ATOM 0 HB2 HIS A 42 -1.340 -6.633 1.051 1.00 43.13 H new ATOM 0 HB3 HIS A 42 -0.772 -4.984 0.875 1.00 43.13 H new ATOM 0 HD1 HIS A 42 -0.892 -8.262 -0.830 1.00 72.43 H new ATOM 0 HD2 HIS A 42 1.143 -4.627 -1.285 1.00 65.33 H new ATOM 0 HE1 HIS A 42 0.079 -8.270 -3.173 1.00 64.52 H new ATOM 660 N GLN A 43 -0.711 -6.875 3.869 1.00 71.42 N ATOM 661 CA GLN A 43 -1.435 -6.656 5.133 1.00 2.40 C ATOM 662 C GLN A 43 -0.539 -6.053 6.237 1.00 25.52 C ATOM 663 O GLN A 43 -0.946 -5.119 6.930 1.00 22.34 O ATOM 664 CB GLN A 43 -2.059 -7.990 5.594 1.00 1.13 C ATOM 665 CG GLN A 43 -2.908 -7.915 6.869 1.00 71.40 C ATOM 666 CD GLN A 43 -2.111 -8.184 8.139 1.00 63.23 C ATOM 667 OE1 GLN A 43 -1.586 -7.272 8.770 1.00 3.33 O ATOM 668 NE2 GLN A 43 -2.002 -9.443 8.513 1.00 41.23 N ATOM 0 H GLN A 43 -0.818 -7.816 3.491 1.00 71.42 H new ATOM 0 HA GLN A 43 -2.221 -5.923 4.950 1.00 2.40 H new ATOM 0 HB2 GLN A 43 -2.680 -8.379 4.787 1.00 1.13 H new ATOM 0 HB3 GLN A 43 -1.257 -8.710 5.754 1.00 1.13 H new ATOM 0 HG2 GLN A 43 -3.364 -6.927 6.936 1.00 71.40 H new ATOM 0 HG3 GLN A 43 -3.721 -8.637 6.799 1.00 71.40 H new ATOM 0 HE21 GLN A 43 -2.451 -10.178 7.966 1.00 41.23 H new ATOM 0 HE22 GLN A 43 -1.469 -9.682 9.349 1.00 41.23 H new ATOM 677 N VAL A 44 0.683 -6.567 6.383 1.00 12.44 N ATOM 678 CA VAL A 44 1.572 -6.121 7.466 1.00 11.54 C ATOM 679 C VAL A 44 2.016 -4.658 7.294 1.00 21.44 C ATOM 680 O VAL A 44 2.224 -3.951 8.281 1.00 53.44 O ATOM 681 CB VAL A 44 2.817 -7.028 7.604 1.00 72.30 C ATOM 682 CG1 VAL A 44 2.400 -8.454 7.940 1.00 52.31 C ATOM 683 CG2 VAL A 44 3.673 -6.996 6.337 1.00 63.32 C ATOM 0 H VAL A 44 1.080 -7.284 5.775 1.00 12.44 H new ATOM 0 HA VAL A 44 0.983 -6.195 8.380 1.00 11.54 H new ATOM 0 HB VAL A 44 3.426 -6.642 8.422 1.00 72.30 H new ATOM 0 HG11 VAL A 44 3.287 -9.080 8.034 1.00 52.31 H new ATOM 0 HG12 VAL A 44 1.850 -8.460 8.881 1.00 52.31 H new ATOM 0 HG13 VAL A 44 1.763 -8.844 7.146 1.00 52.31 H new ATOM 0 HG21 VAL A 44 4.540 -7.644 6.467 1.00 63.32 H new ATOM 0 HG22 VAL A 44 3.083 -7.346 5.490 1.00 63.32 H new ATOM 0 HG23 VAL A 44 4.008 -5.976 6.150 1.00 63.32 H new ATOM 693 N ILE A 45 2.150 -4.207 6.043 1.00 32.33 N ATOM 694 CA ILE A 45 2.547 -2.818 5.759 1.00 14.11 C ATOM 695 C ILE A 45 1.580 -1.826 6.427 1.00 4.20 C ATOM 696 O ILE A 45 1.998 -0.833 7.034 1.00 73.55 O ATOM 697 CB ILE A 45 2.592 -2.547 4.233 1.00 15.33 C ATOM 698 CG1 ILE A 45 3.551 -3.537 3.543 1.00 60.24 C ATOM 699 CG2 ILE A 45 3.007 -1.100 3.952 1.00 43.23 C ATOM 700 CD1 ILE A 45 3.617 -3.389 2.033 1.00 24.20 C ATOM 0 H ILE A 45 1.991 -4.777 5.212 1.00 32.33 H new ATOM 0 HA ILE A 45 3.547 -2.676 6.169 1.00 14.11 H new ATOM 0 HB ILE A 45 1.592 -2.695 3.825 1.00 15.33 H new ATOM 0 HG12 ILE A 45 4.552 -3.403 3.954 1.00 60.24 H new ATOM 0 HG13 ILE A 45 3.241 -4.554 3.784 1.00 60.24 H new ATOM 0 HG21 ILE A 45 3.032 -0.931 2.875 1.00 43.23 H new ATOM 0 HG22 ILE A 45 2.288 -0.420 4.409 1.00 43.23 H new ATOM 0 HG23 ILE A 45 3.996 -0.917 4.371 1.00 43.23 H new ATOM 0 HD11 ILE A 45 4.314 -4.122 1.626 1.00 24.20 H new ATOM 0 HD12 ILE A 45 2.627 -3.554 1.608 1.00 24.20 H new ATOM 0 HD13 ILE A 45 3.958 -2.385 1.780 1.00 24.20 H new ATOM 712 N ARG A 46 0.284 -2.125 6.328 1.00 65.24 N ATOM 713 CA ARG A 46 -0.759 -1.331 6.985 1.00 13.13 C ATOM 714 C ARG A 46 -0.518 -1.253 8.504 1.00 51.32 C ATOM 715 O ARG A 46 -0.707 -0.205 9.123 1.00 1.25 O ATOM 716 CB ARG A 46 -2.140 -1.945 6.699 1.00 55.03 C ATOM 717 CG ARG A 46 -3.307 -1.208 7.353 1.00 60.11 C ATOM 718 CD ARG A 46 -4.644 -1.879 7.044 1.00 73.42 C ATOM 719 NE ARG A 46 -4.695 -3.261 7.524 1.00 35.21 N ATOM 720 CZ ARG A 46 -5.630 -4.116 7.208 1.00 12.44 C ATOM 721 NH1 ARG A 46 -6.583 -3.788 6.400 1.00 44.22 N ATOM 722 NH2 ARG A 46 -5.604 -5.310 7.698 1.00 24.32 N ATOM 0 H ARG A 46 -0.072 -2.918 5.795 1.00 65.24 H new ATOM 0 HA ARG A 46 -0.725 -0.318 6.584 1.00 13.13 H new ATOM 0 HB2 ARG A 46 -2.298 -1.966 5.621 1.00 55.03 H new ATOM 0 HB3 ARG A 46 -2.142 -2.980 7.042 1.00 55.03 H new ATOM 0 HG2 ARG A 46 -3.157 -1.175 8.432 1.00 60.11 H new ATOM 0 HG3 ARG A 46 -3.328 -0.176 7.002 1.00 60.11 H new ATOM 0 HD2 ARG A 46 -5.450 -1.307 7.504 1.00 73.42 H new ATOM 0 HD3 ARG A 46 -4.816 -1.864 5.968 1.00 73.42 H new ATOM 0 HE ARG A 46 -3.951 -3.577 8.146 1.00 35.21 H new ATOM 0 HH11 ARG A 46 -6.612 -2.850 6.000 1.00 44.22 H new ATOM 0 HH12 ARG A 46 -7.306 -4.467 6.162 1.00 44.22 H new ATOM 0 HH21 ARG A 46 -4.853 -5.585 8.332 1.00 24.32 H new ATOM 0 HH22 ARG A 46 -6.334 -5.978 7.452 1.00 24.32 H new ATOM 736 N ALA A 47 -0.079 -2.365 9.091 1.00 44.35 N ATOM 737 CA ALA A 47 0.176 -2.438 10.533 1.00 61.31 C ATOM 738 C ALA A 47 1.378 -1.572 10.957 1.00 3.44 C ATOM 739 O ALA A 47 1.393 -1.006 12.054 1.00 10.43 O ATOM 740 CB ALA A 47 0.391 -3.887 10.948 1.00 11.23 C ATOM 0 H ALA A 47 0.109 -3.233 8.589 1.00 44.35 H new ATOM 0 HA ALA A 47 -0.700 -2.039 11.044 1.00 61.31 H new ATOM 0 HB1 ALA A 47 0.580 -3.934 12.020 1.00 11.23 H new ATOM 0 HB2 ALA A 47 -0.499 -4.469 10.710 1.00 11.23 H new ATOM 0 HB3 ALA A 47 1.246 -4.296 10.411 1.00 11.23 H new ATOM 746 N TYR A 48 2.382 -1.469 10.083 1.00 12.40 N ATOM 747 CA TYR A 48 3.586 -0.679 10.375 1.00 31.42 C ATOM 748 C TYR A 48 3.303 0.828 10.313 1.00 1.23 C ATOM 749 O TYR A 48 3.609 1.567 11.252 1.00 72.33 O ATOM 750 CB TYR A 48 4.716 -1.030 9.396 1.00 73.34 C ATOM 751 CG TYR A 48 5.069 -2.504 9.362 1.00 54.30 C ATOM 752 CD1 TYR A 48 5.273 -3.224 10.538 1.00 23.10 C ATOM 753 CD2 TYR A 48 5.205 -3.176 8.153 1.00 64.32 C ATOM 754 CE1 TYR A 48 5.600 -4.566 10.502 1.00 65.10 C ATOM 755 CE2 TYR A 48 5.528 -4.515 8.113 1.00 14.12 C ATOM 756 CZ TYR A 48 5.725 -5.205 9.287 1.00 23.23 C ATOM 757 OH TYR A 48 6.057 -6.541 9.242 1.00 13.22 O ATOM 0 H TYR A 48 2.388 -1.921 9.169 1.00 12.40 H new ATOM 0 HA TYR A 48 3.896 -0.929 11.390 1.00 31.42 H new ATOM 0 HB2 TYR A 48 4.426 -0.714 8.394 1.00 73.34 H new ATOM 0 HB3 TYR A 48 5.605 -0.460 9.665 1.00 73.34 H new ATOM 0 HD1 TYR A 48 5.174 -2.726 11.491 1.00 23.10 H new ATOM 0 HD2 TYR A 48 5.055 -2.639 7.228 1.00 64.32 H new ATOM 0 HE1 TYR A 48 5.757 -5.111 11.421 1.00 65.10 H new ATOM 0 HE2 TYR A 48 5.626 -5.021 7.164 1.00 14.12 H new ATOM 0 HH TYR A 48 6.996 -6.636 8.978 1.00 13.22 H new ATOM 767 N VAL A 49 2.711 1.280 9.208 1.00 53.13 N ATOM 768 CA VAL A 49 2.427 2.706 9.017 1.00 55.21 C ATOM 769 C VAL A 49 1.545 3.279 10.145 1.00 23.52 C ATOM 770 O VAL A 49 1.757 4.407 10.592 1.00 13.01 O ATOM 771 CB VAL A 49 1.762 2.983 7.643 1.00 15.10 C ATOM 772 CG1 VAL A 49 2.708 2.617 6.498 1.00 14.11 C ATOM 773 CG2 VAL A 49 0.438 2.235 7.510 1.00 64.53 C ATOM 0 H VAL A 49 2.419 0.684 8.433 1.00 53.13 H new ATOM 0 HA VAL A 49 3.392 3.211 9.046 1.00 55.21 H new ATOM 0 HB VAL A 49 1.551 4.051 7.584 1.00 15.10 H new ATOM 0 HG11 VAL A 49 2.220 2.820 5.544 1.00 14.11 H new ATOM 0 HG12 VAL A 49 3.618 3.212 6.574 1.00 14.11 H new ATOM 0 HG13 VAL A 49 2.960 1.558 6.559 1.00 14.11 H new ATOM 0 HG21 VAL A 49 -0.004 2.449 6.537 1.00 64.53 H new ATOM 0 HG22 VAL A 49 0.615 1.163 7.601 1.00 64.53 H new ATOM 0 HG23 VAL A 49 -0.243 2.558 8.297 1.00 64.53 H new ATOM 783 N MET A 50 0.572 2.494 10.617 1.00 31.00 N ATOM 784 CA MET A 50 -0.313 2.932 11.709 1.00 32.33 C ATOM 785 C MET A 50 0.429 3.008 13.055 1.00 41.03 C ATOM 786 O MET A 50 -0.019 3.679 13.988 1.00 20.05 O ATOM 787 CB MET A 50 -1.515 1.989 11.836 1.00 33.34 C ATOM 788 CG MET A 50 -2.379 1.915 10.584 1.00 14.34 C ATOM 789 SD MET A 50 -3.841 0.884 10.809 1.00 0.33 S ATOM 790 CE MET A 50 -3.108 -0.682 11.290 1.00 24.03 C ATOM 0 H MET A 50 0.375 1.557 10.265 1.00 31.00 H new ATOM 0 HA MET A 50 -0.660 3.934 11.458 1.00 32.33 H new ATOM 0 HB2 MET A 50 -1.155 0.989 12.076 1.00 33.34 H new ATOM 0 HB3 MET A 50 -2.133 2.315 12.673 1.00 33.34 H new ATOM 0 HG2 MET A 50 -2.689 2.921 10.301 1.00 14.34 H new ATOM 0 HG3 MET A 50 -1.785 1.521 9.760 1.00 14.34 H new ATOM 0 HE1 MET A 50 -3.892 -1.429 11.410 1.00 24.03 H new ATOM 0 HE2 MET A 50 -2.410 -1.009 10.519 1.00 24.03 H new ATOM 0 HE3 MET A 50 -2.576 -0.560 12.233 1.00 24.03 H new ATOM 800 N SER A 51 1.555 2.307 13.159 1.00 33.42 N ATOM 801 CA SER A 51 2.370 2.319 14.385 1.00 54.41 C ATOM 802 C SER A 51 3.189 3.612 14.517 1.00 73.30 C ATOM 803 O SER A 51 3.295 4.185 15.601 1.00 43.11 O ATOM 804 CB SER A 51 3.316 1.108 14.410 1.00 4.35 C ATOM 805 OG SER A 51 4.203 1.161 15.520 1.00 71.31 O ATOM 0 H SER A 51 1.929 1.721 12.413 1.00 33.42 H new ATOM 0 HA SER A 51 1.682 2.266 15.229 1.00 54.41 H new ATOM 0 HB2 SER A 51 2.731 0.189 14.454 1.00 4.35 H new ATOM 0 HB3 SER A 51 3.891 1.075 13.485 1.00 4.35 H new ATOM 0 HG SER A 51 4.790 0.376 15.507 1.00 71.31 H new ATOM 811 N ASN A 52 3.774 4.064 13.405 1.00 34.44 N ATOM 812 CA ASN A 52 4.648 5.250 13.411 1.00 42.41 C ATOM 813 C ASN A 52 3.905 6.553 13.053 1.00 14.20 C ATOM 814 O ASN A 52 4.030 7.558 13.754 1.00 1.24 O ATOM 815 CB ASN A 52 5.819 5.049 12.436 1.00 30.04 C ATOM 816 CG ASN A 52 6.882 4.086 12.947 1.00 22.53 C ATOM 817 OD1 ASN A 52 6.492 3.114 13.750 1.00 40.13 O flip ATOM 818 ND2 ASN A 52 8.058 4.217 12.620 1.00 45.31 N flip ATOM 0 H ASN A 52 3.661 3.631 12.488 1.00 34.44 H new ATOM 0 HA ASN A 52 5.015 5.356 14.432 1.00 42.41 H new ATOM 0 HB2 ASN A 52 5.431 4.678 11.487 1.00 30.04 H new ATOM 0 HB3 ASN A 52 6.283 6.015 12.235 1.00 30.04 H new ATOM 0 HD21 ASN A 52 8.333 4.977 11.998 1.00 45.31 H new ATOM 0 HD22 ASN A 52 8.760 3.566 12.970 1.00 45.31 H new ATOM 825 N TYR A 53 3.138 6.536 11.964 1.00 64.21 N ATOM 826 CA TYR A 53 2.568 7.772 11.401 1.00 24.04 C ATOM 827 C TYR A 53 1.111 8.011 11.839 1.00 62.25 C ATOM 828 O TYR A 53 0.219 7.209 11.556 1.00 52.32 O ATOM 829 CB TYR A 53 2.657 7.733 9.868 1.00 52.23 C ATOM 830 CG TYR A 53 4.078 7.569 9.356 1.00 51.03 C ATOM 831 CD1 TYR A 53 4.941 8.657 9.287 1.00 52.33 C ATOM 832 CD2 TYR A 53 4.558 6.324 8.954 1.00 53.11 C ATOM 833 CE1 TYR A 53 6.239 8.511 8.835 1.00 35.32 C ATOM 834 CE2 TYR A 53 5.855 6.172 8.499 1.00 45.23 C ATOM 835 CZ TYR A 53 6.692 7.268 8.443 1.00 70.01 C ATOM 836 OH TYR A 53 7.989 7.123 7.997 1.00 63.01 O ATOM 0 H TYR A 53 2.894 5.688 11.452 1.00 64.21 H new ATOM 0 HA TYR A 53 3.156 8.604 11.790 1.00 24.04 H new ATOM 0 HB2 TYR A 53 2.046 6.911 9.496 1.00 52.23 H new ATOM 0 HB3 TYR A 53 2.235 8.653 9.462 1.00 52.23 H new ATOM 0 HD1 TYR A 53 4.591 9.632 9.592 1.00 52.33 H new ATOM 0 HD2 TYR A 53 3.906 5.464 8.999 1.00 53.11 H new ATOM 0 HE1 TYR A 53 6.896 9.367 8.789 1.00 35.32 H new ATOM 0 HE2 TYR A 53 6.211 5.201 8.189 1.00 45.23 H new ATOM 0 HH TYR A 53 8.284 7.956 7.573 1.00 63.01 H new ATOM 846 N THR A 54 0.879 9.128 12.531 1.00 34.32 N ATOM 847 CA THR A 54 -0.476 9.532 12.932 1.00 3.44 C ATOM 848 C THR A 54 -1.055 10.566 11.955 1.00 3.41 C ATOM 849 O THR A 54 -1.052 11.770 12.224 1.00 60.20 O ATOM 850 CB THR A 54 -0.507 10.126 14.364 1.00 3.35 C ATOM 851 OG1 THR A 54 0.295 11.319 14.433 1.00 52.45 O ATOM 852 CG2 THR A 54 -0.006 9.116 15.389 1.00 64.11 C ATOM 0 H THR A 54 1.612 9.772 12.827 1.00 34.32 H new ATOM 0 HA THR A 54 -1.084 8.627 12.915 1.00 3.44 H new ATOM 0 HB THR A 54 -1.543 10.374 14.596 1.00 3.35 H new ATOM 0 HG1 THR A 54 0.093 11.894 13.666 1.00 52.45 H new ATOM 0 HG21 THR A 54 -0.039 9.560 16.384 1.00 64.11 H new ATOM 0 HG22 THR A 54 -0.640 8.230 15.366 1.00 64.11 H new ATOM 0 HG23 THR A 54 1.020 8.835 15.151 1.00 64.11 H new ATOM 860 N ASP A 55 -1.529 10.092 10.806 1.00 52.41 N ATOM 861 CA ASP A 55 -2.100 10.970 9.780 1.00 30.25 C ATOM 862 C ASP A 55 -3.053 10.195 8.857 1.00 35.33 C ATOM 863 O ASP A 55 -2.683 9.169 8.284 1.00 14.41 O ATOM 864 CB ASP A 55 -0.983 11.623 8.957 1.00 61.31 C ATOM 865 CG ASP A 55 -1.530 12.565 7.898 1.00 3.14 C ATOM 866 OD1 ASP A 55 -1.763 13.751 8.212 1.00 1.23 O ATOM 867 OD2 ASP A 55 -1.758 12.116 6.760 1.00 25.04 O ATOM 0 H ASP A 55 -1.530 9.102 10.558 1.00 52.41 H new ATOM 0 HA ASP A 55 -2.672 11.749 10.283 1.00 30.25 H new ATOM 0 HB2 ASP A 55 -0.317 12.173 9.622 1.00 61.31 H new ATOM 0 HB3 ASP A 55 -0.385 10.847 8.478 1.00 61.31 H new ATOM 872 N HIS A 56 -4.274 10.702 8.701 1.00 60.32 N ATOM 873 CA HIS A 56 -5.292 10.031 7.890 1.00 3.05 C ATOM 874 C HIS A 56 -4.891 9.922 6.410 1.00 11.43 C ATOM 875 O HIS A 56 -5.142 8.903 5.777 1.00 2.34 O ATOM 876 CB HIS A 56 -6.641 10.753 8.002 1.00 32.21 C ATOM 877 CG HIS A 56 -7.687 10.191 7.083 1.00 74.34 C ATOM 878 ND1 HIS A 56 -8.125 10.841 5.950 1.00 51.15 N ATOM 879 CD2 HIS A 56 -8.358 9.013 7.116 1.00 30.22 C ATOM 880 CE1 HIS A 56 -9.013 10.091 5.330 1.00 53.30 C ATOM 881 NE2 HIS A 56 -9.172 8.977 6.012 1.00 13.21 N ATOM 0 H HIS A 56 -4.584 11.576 9.125 1.00 60.32 H new ATOM 0 HA HIS A 56 -5.382 9.020 8.286 1.00 3.05 H new ATOM 0 HB2 HIS A 56 -6.997 10.689 9.030 1.00 32.21 H new ATOM 0 HB3 HIS A 56 -6.500 11.811 7.779 1.00 32.21 H new ATOM 0 HD1 HIS A 56 -7.811 11.760 5.639 1.00 51.15 H new ATOM 0 HD2 HIS A 56 -8.268 8.246 7.871 1.00 30.22 H new ATOM 0 HE1 HIS A 56 -9.525 10.348 4.414 1.00 53.30 H new ATOM 0 HE2 HIS A 56 -9.798 8.212 5.761 1.00 13.21 H new ATOM 890 N GLN A 57 -4.271 10.966 5.865 1.00 44.21 N ATOM 891 CA GLN A 57 -3.933 11.008 4.433 1.00 4.52 C ATOM 892 C GLN A 57 -2.886 9.943 4.073 1.00 51.34 C ATOM 893 O GLN A 57 -3.024 9.228 3.073 1.00 15.11 O ATOM 894 CB GLN A 57 -3.430 12.406 4.027 1.00 41.24 C ATOM 895 CG GLN A 57 -4.494 13.505 4.095 1.00 64.10 C ATOM 896 CD GLN A 57 -5.056 13.725 5.493 1.00 55.14 C ATOM 897 OE1 GLN A 57 -6.054 13.122 5.880 1.00 13.44 O ATOM 898 NE2 GLN A 57 -4.417 14.577 6.267 1.00 4.21 N ATOM 0 H GLN A 57 -3.990 11.796 6.387 1.00 44.21 H new ATOM 0 HA GLN A 57 -4.845 10.790 3.877 1.00 4.52 H new ATOM 0 HB2 GLN A 57 -2.598 12.682 4.675 1.00 41.24 H new ATOM 0 HB3 GLN A 57 -3.040 12.357 3.010 1.00 41.24 H new ATOM 0 HG2 GLN A 57 -4.063 14.439 3.735 1.00 64.10 H new ATOM 0 HG3 GLN A 57 -5.311 13.250 3.420 1.00 64.10 H new ATOM 0 HE21 GLN A 57 -3.591 15.063 5.918 1.00 4.21 H new ATOM 0 HE22 GLN A 57 -4.748 14.751 7.216 1.00 4.21 H new ATOM 907 N LEU A 58 -1.841 9.841 4.893 1.00 44.13 N ATOM 908 CA LEU A 58 -0.806 8.816 4.709 1.00 0.40 C ATOM 909 C LEU A 58 -1.393 7.398 4.849 1.00 64.04 C ATOM 910 O LEU A 58 -1.206 6.545 3.975 1.00 24.23 O ATOM 911 CB LEU A 58 0.334 9.013 5.725 1.00 54.02 C ATOM 912 CG LEU A 58 1.076 10.362 5.630 1.00 34.41 C ATOM 913 CD1 LEU A 58 2.179 10.448 6.684 1.00 10.51 C ATOM 914 CD2 LEU A 58 1.645 10.573 4.224 1.00 61.02 C ATOM 0 H LEU A 58 -1.686 10.455 5.693 1.00 44.13 H new ATOM 0 HA LEU A 58 -0.408 8.924 3.700 1.00 0.40 H new ATOM 0 HB2 LEU A 58 -0.076 8.913 6.730 1.00 54.02 H new ATOM 0 HB3 LEU A 58 1.058 8.209 5.594 1.00 54.02 H new ATOM 0 HG LEU A 58 0.359 11.159 5.825 1.00 34.41 H new ATOM 0 HD11 LEU A 58 2.689 11.407 6.599 1.00 10.51 H new ATOM 0 HD12 LEU A 58 1.741 10.357 7.678 1.00 10.51 H new ATOM 0 HD13 LEU A 58 2.895 9.641 6.528 1.00 10.51 H new ATOM 0 HD21 LEU A 58 2.164 11.531 4.181 1.00 61.02 H new ATOM 0 HD22 LEU A 58 2.345 9.771 3.991 1.00 61.02 H new ATOM 0 HD23 LEU A 58 0.832 10.568 3.498 1.00 61.02 H new ATOM 926 N ILE A 59 -2.110 7.155 5.948 1.00 24.43 N ATOM 927 CA ILE A 59 -2.735 5.847 6.195 1.00 64.30 C ATOM 928 C ILE A 59 -3.748 5.490 5.093 1.00 22.22 C ATOM 929 O ILE A 59 -3.802 4.347 4.628 1.00 74.35 O ATOM 930 CB ILE A 59 -3.445 5.810 7.575 1.00 24.30 C ATOM 931 CG1 ILE A 59 -2.459 6.156 8.707 1.00 70.24 C ATOM 932 CG2 ILE A 59 -4.090 4.443 7.823 1.00 70.34 C ATOM 933 CD1 ILE A 59 -1.265 5.226 8.801 1.00 1.51 C ATOM 0 H ILE A 59 -2.274 7.844 6.682 1.00 24.43 H new ATOM 0 HA ILE A 59 -1.932 5.110 6.189 1.00 64.30 H new ATOM 0 HB ILE A 59 -4.234 6.562 7.566 1.00 24.30 H new ATOM 0 HG12 ILE A 59 -2.100 7.175 8.562 1.00 70.24 H new ATOM 0 HG13 ILE A 59 -2.994 6.139 9.657 1.00 70.24 H new ATOM 0 HG21 ILE A 59 -4.581 4.443 8.796 1.00 70.34 H new ATOM 0 HG22 ILE A 59 -4.827 4.242 7.045 1.00 70.34 H new ATOM 0 HG23 ILE A 59 -3.322 3.670 7.804 1.00 70.34 H new ATOM 0 HD11 ILE A 59 -0.622 5.541 9.623 1.00 1.51 H new ATOM 0 HD12 ILE A 59 -1.610 4.208 8.980 1.00 1.51 H new ATOM 0 HD13 ILE A 59 -0.703 5.260 7.868 1.00 1.51 H new ATOM 945 N GLU A 60 -4.532 6.479 4.667 1.00 12.01 N ATOM 946 CA GLU A 60 -5.552 6.273 3.632 1.00 1.03 C ATOM 947 C GLU A 60 -4.912 5.841 2.305 1.00 30.24 C ATOM 948 O GLU A 60 -5.279 4.817 1.725 1.00 14.12 O ATOM 949 CB GLU A 60 -6.370 7.556 3.426 1.00 73.12 C ATOM 950 CG GLU A 60 -7.650 7.347 2.626 1.00 50.40 C ATOM 951 CD GLU A 60 -8.661 6.484 3.366 1.00 34.14 C ATOM 952 OE1 GLU A 60 -8.588 5.239 3.263 1.00 60.51 O ATOM 953 OE2 GLU A 60 -9.530 7.046 4.064 1.00 1.40 O ATOM 0 H GLU A 60 -4.483 7.434 5.022 1.00 12.01 H new ATOM 0 HA GLU A 60 -6.216 5.477 3.968 1.00 1.03 H new ATOM 0 HB2 GLU A 60 -6.625 7.973 4.400 1.00 73.12 H new ATOM 0 HB3 GLU A 60 -5.750 8.293 2.916 1.00 73.12 H new ATOM 0 HG2 GLU A 60 -8.098 8.315 2.402 1.00 50.40 H new ATOM 0 HG3 GLU A 60 -7.407 6.880 1.672 1.00 50.40 H new ATOM 960 N THR A 61 -3.942 6.624 1.839 1.00 34.33 N ATOM 961 CA THR A 61 -3.201 6.293 0.615 1.00 62.33 C ATOM 962 C THR A 61 -2.606 4.879 0.695 1.00 3.31 C ATOM 963 O THR A 61 -2.647 4.116 -0.273 1.00 10.15 O ATOM 964 CB THR A 61 -2.057 7.308 0.355 1.00 35.10 C ATOM 965 OG1 THR A 61 -2.584 8.642 0.272 1.00 23.20 O ATOM 966 CG2 THR A 61 -1.308 6.983 -0.934 1.00 74.01 C ATOM 0 H THR A 61 -3.648 7.492 2.287 1.00 34.33 H new ATOM 0 HA THR A 61 -3.913 6.340 -0.209 1.00 62.33 H new ATOM 0 HB THR A 61 -1.360 7.238 1.190 1.00 35.10 H new ATOM 0 HG1 THR A 61 -2.784 8.971 1.173 1.00 23.20 H new ATOM 0 HG21 THR A 61 -0.513 7.713 -1.087 1.00 74.01 H new ATOM 0 HG22 THR A 61 -0.875 5.985 -0.862 1.00 74.01 H new ATOM 0 HG23 THR A 61 -2.000 7.018 -1.776 1.00 74.01 H new ATOM 974 N THR A 62 -2.076 4.533 1.869 1.00 74.33 N ATOM 975 CA THR A 62 -1.455 3.221 2.089 1.00 42.23 C ATOM 976 C THR A 62 -2.479 2.071 2.032 1.00 33.41 C ATOM 977 O THR A 62 -2.420 1.226 1.136 1.00 31.04 O ATOM 978 CB THR A 62 -0.708 3.164 3.447 1.00 33.21 C ATOM 979 OG1 THR A 62 0.303 4.179 3.503 1.00 60.45 O ATOM 980 CG2 THR A 62 -0.063 1.798 3.670 1.00 71.44 C ATOM 0 H THR A 62 -2.063 5.143 2.686 1.00 74.33 H new ATOM 0 HA THR A 62 -0.740 3.091 1.276 1.00 42.23 H new ATOM 0 HB THR A 62 -1.443 3.335 4.233 1.00 33.21 H new ATOM 0 HG1 THR A 62 -0.115 5.048 3.679 1.00 60.45 H new ATOM 0 HG21 THR A 62 0.452 1.791 4.630 1.00 71.44 H new ATOM 0 HG22 THR A 62 -0.833 1.027 3.666 1.00 71.44 H new ATOM 0 HG23 THR A 62 0.653 1.599 2.873 1.00 71.44 H new ATOM 988 N ASN A 63 -3.427 2.043 2.982 1.00 5.14 N ATOM 989 CA ASN A 63 -4.360 0.906 3.101 1.00 53.13 C ATOM 990 C ASN A 63 -5.185 0.692 1.817 1.00 52.32 C ATOM 991 O ASN A 63 -5.611 -0.426 1.524 1.00 42.32 O ATOM 992 CB ASN A 63 -5.290 1.063 4.324 1.00 12.32 C ATOM 993 CG ASN A 63 -6.438 2.045 4.130 1.00 43.31 C ATOM 994 OD1 ASN A 63 -6.199 3.145 3.455 1.00 42.10 O flip ATOM 995 ND2 ASN A 63 -7.539 1.823 4.621 1.00 0.13 N flip ATOM 0 H ASN A 63 -3.569 2.782 3.671 1.00 5.14 H new ATOM 0 HA ASN A 63 -3.747 0.017 3.249 1.00 53.13 H new ATOM 0 HB2 ASN A 63 -5.704 0.087 4.576 1.00 12.32 H new ATOM 0 HB3 ASN A 63 -4.694 1.386 5.177 1.00 12.32 H new ATOM 0 HD21 ASN A 63 -7.701 0.961 5.141 1.00 0.13 H new ATOM 0 HD22 ASN A 63 -8.293 2.500 4.509 1.00 0.13 H new ATOM 1002 N ARG A 64 -5.390 1.763 1.052 1.00 35.14 N ATOM 1003 CA ARG A 64 -6.113 1.683 -0.221 1.00 72.14 C ATOM 1004 C ARG A 64 -5.389 0.762 -1.218 1.00 63.14 C ATOM 1005 O ARG A 64 -5.948 -0.235 -1.673 1.00 21.01 O ATOM 1006 CB ARG A 64 -6.284 3.093 -0.807 1.00 32.13 C ATOM 1007 CG ARG A 64 -6.982 3.134 -2.166 1.00 20.53 C ATOM 1008 CD ARG A 64 -7.247 4.567 -2.615 1.00 73.12 C ATOM 1009 NE ARG A 64 -7.742 4.639 -3.991 1.00 71.44 N ATOM 1010 CZ ARG A 64 -8.620 5.510 -4.410 1.00 55.23 C ATOM 1011 NH1 ARG A 64 -9.227 6.288 -3.572 1.00 40.04 N ATOM 1012 NH2 ARG A 64 -8.915 5.576 -5.666 1.00 14.13 N ATOM 0 H ARG A 64 -5.065 2.700 1.291 1.00 35.14 H new ATOM 0 HA ARG A 64 -7.097 1.252 -0.035 1.00 72.14 H new ATOM 0 HB2 ARG A 64 -6.853 3.699 -0.102 1.00 32.13 H new ATOM 0 HB3 ARG A 64 -5.301 3.554 -0.903 1.00 32.13 H new ATOM 0 HG2 ARG A 64 -6.365 2.627 -2.908 1.00 20.53 H new ATOM 0 HG3 ARG A 64 -7.924 2.589 -2.109 1.00 20.53 H new ATOM 0 HD2 ARG A 64 -7.975 5.026 -1.946 1.00 73.12 H new ATOM 0 HD3 ARG A 64 -6.328 5.147 -2.532 1.00 73.12 H new ATOM 0 HE ARG A 64 -7.378 3.966 -4.665 1.00 71.44 H new ATOM 0 HH11 ARG A 64 -9.021 6.224 -2.575 1.00 40.04 H new ATOM 0 HH12 ARG A 64 -9.911 6.965 -3.909 1.00 40.04 H new ATOM 0 HH21 ARG A 64 -8.462 4.948 -6.330 1.00 14.13 H new ATOM 0 HH22 ARG A 64 -9.601 6.256 -5.994 1.00 14.13 H new ATOM 1026 N ALA A 65 -4.138 1.090 -1.540 1.00 72.54 N ATOM 1027 CA ALA A 65 -3.340 0.279 -2.471 1.00 62.30 C ATOM 1028 C ALA A 65 -3.093 -1.133 -1.915 1.00 10.32 C ATOM 1029 O ALA A 65 -3.094 -2.121 -2.658 1.00 64.30 O ATOM 1030 CB ALA A 65 -2.017 0.976 -2.774 1.00 15.31 C ATOM 0 H ALA A 65 -3.653 1.909 -1.173 1.00 72.54 H new ATOM 0 HA ALA A 65 -3.904 0.174 -3.398 1.00 62.30 H new ATOM 0 HB1 ALA A 65 -1.434 0.366 -3.464 1.00 15.31 H new ATOM 0 HB2 ALA A 65 -2.213 1.949 -3.226 1.00 15.31 H new ATOM 0 HB3 ALA A 65 -1.457 1.112 -1.849 1.00 15.31 H new ATOM 1036 N ILE A 66 -2.891 -1.215 -0.601 1.00 41.42 N ATOM 1037 CA ILE A 66 -2.702 -2.494 0.091 1.00 34.41 C ATOM 1038 C ILE A 66 -3.887 -3.452 -0.146 1.00 71.53 C ATOM 1039 O ILE A 66 -3.699 -4.603 -0.556 1.00 53.14 O ATOM 1040 CB ILE A 66 -2.516 -2.269 1.618 1.00 31.11 C ATOM 1041 CG1 ILE A 66 -1.197 -1.526 1.899 1.00 43.25 C ATOM 1042 CG2 ILE A 66 -2.569 -3.587 2.386 1.00 43.15 C ATOM 1043 CD1 ILE A 66 0.039 -2.234 1.380 1.00 41.44 C ATOM 0 H ILE A 66 -2.853 -0.402 0.014 1.00 41.42 H new ATOM 0 HA ILE A 66 -1.803 -2.952 -0.321 1.00 34.41 H new ATOM 0 HB ILE A 66 -3.343 -1.650 1.967 1.00 31.11 H new ATOM 0 HG12 ILE A 66 -1.249 -0.534 1.450 1.00 43.25 H new ATOM 0 HG13 ILE A 66 -1.095 -1.384 2.975 1.00 43.25 H new ATOM 0 HG21 ILE A 66 -2.436 -3.394 3.450 1.00 43.15 H new ATOM 0 HG22 ILE A 66 -3.535 -4.065 2.222 1.00 43.15 H new ATOM 0 HG23 ILE A 66 -1.774 -4.245 2.034 1.00 43.15 H new ATOM 0 HD11 ILE A 66 0.924 -1.644 1.619 1.00 41.44 H new ATOM 0 HD12 ILE A 66 0.120 -3.215 1.848 1.00 41.44 H new ATOM 0 HD13 ILE A 66 -0.036 -2.352 0.299 1.00 41.44 H new ATOM 1055 N SER A 67 -5.099 -2.964 0.105 1.00 3.04 N ATOM 1056 CA SER A 67 -6.313 -3.781 -0.039 1.00 54.24 C ATOM 1057 C SER A 67 -6.650 -4.049 -1.513 1.00 14.25 C ATOM 1058 O SER A 67 -6.868 -5.197 -1.908 1.00 32.22 O ATOM 1059 CB SER A 67 -7.505 -3.098 0.647 1.00 24.24 C ATOM 1060 OG SER A 67 -8.689 -3.883 0.542 1.00 64.51 O ATOM 0 H SER A 67 -5.273 -2.006 0.410 1.00 3.04 H new ATOM 0 HA SER A 67 -6.116 -4.739 0.443 1.00 54.24 H new ATOM 0 HB2 SER A 67 -7.272 -2.928 1.698 1.00 24.24 H new ATOM 0 HB3 SER A 67 -7.674 -2.120 0.196 1.00 24.24 H new ATOM 0 HG SER A 67 -9.428 -3.421 0.990 1.00 64.51 H new ATOM 1066 N LEU A 68 -6.673 -2.990 -2.327 1.00 45.33 N ATOM 1067 CA LEU A 68 -7.067 -3.102 -3.741 1.00 1.33 C ATOM 1068 C LEU A 68 -6.264 -4.170 -4.500 1.00 42.12 C ATOM 1069 O LEU A 68 -6.817 -4.887 -5.335 1.00 55.44 O ATOM 1070 CB LEU A 68 -6.938 -1.746 -4.450 1.00 1.12 C ATOM 1071 CG LEU A 68 -7.924 -0.660 -3.982 1.00 12.33 C ATOM 1072 CD1 LEU A 68 -7.683 0.646 -4.732 1.00 44.10 C ATOM 1073 CD2 LEU A 68 -9.370 -1.127 -4.161 1.00 64.21 C ATOM 0 H LEU A 68 -6.424 -2.045 -2.035 1.00 45.33 H new ATOM 0 HA LEU A 68 -8.110 -3.417 -3.747 1.00 1.33 H new ATOM 0 HB2 LEU A 68 -5.922 -1.376 -4.308 1.00 1.12 H new ATOM 0 HB3 LEU A 68 -7.075 -1.900 -5.520 1.00 1.12 H new ATOM 0 HG LEU A 68 -7.753 -0.481 -2.920 1.00 12.33 H new ATOM 0 HD11 LEU A 68 -8.390 1.400 -4.386 1.00 44.10 H new ATOM 0 HD12 LEU A 68 -6.666 0.990 -4.546 1.00 44.10 H new ATOM 0 HD13 LEU A 68 -7.821 0.483 -5.801 1.00 44.10 H new ATOM 0 HD21 LEU A 68 -10.050 -0.344 -3.824 1.00 64.21 H new ATOM 0 HD22 LEU A 68 -9.556 -1.340 -5.214 1.00 64.21 H new ATOM 0 HD23 LEU A 68 -9.536 -2.030 -3.573 1.00 64.21 H new ATOM 1085 N TYR A 69 -4.966 -4.280 -4.215 1.00 33.40 N ATOM 1086 CA TYR A 69 -4.124 -5.307 -4.847 1.00 54.43 C ATOM 1087 C TYR A 69 -4.691 -6.719 -4.634 1.00 24.12 C ATOM 1088 O TYR A 69 -4.926 -7.458 -5.590 1.00 31.41 O ATOM 1089 CB TYR A 69 -2.679 -5.239 -4.314 1.00 53.12 C ATOM 1090 CG TYR A 69 -1.719 -4.491 -5.224 1.00 14.52 C ATOM 1091 CD1 TYR A 69 -1.573 -4.868 -6.555 1.00 10.23 C ATOM 1092 CD2 TYR A 69 -0.956 -3.425 -4.758 1.00 62.31 C ATOM 1093 CE1 TYR A 69 -0.699 -4.206 -7.394 1.00 43.00 C ATOM 1094 CE2 TYR A 69 -0.076 -2.759 -5.593 1.00 42.15 C ATOM 1095 CZ TYR A 69 0.047 -3.156 -6.911 1.00 63.41 C ATOM 1096 OH TYR A 69 0.922 -2.500 -7.746 1.00 62.21 O ATOM 0 H TYR A 69 -4.474 -3.677 -3.556 1.00 33.40 H new ATOM 0 HA TYR A 69 -4.119 -5.100 -5.917 1.00 54.43 H new ATOM 0 HB2 TYR A 69 -2.686 -4.758 -3.336 1.00 53.12 H new ATOM 0 HB3 TYR A 69 -2.309 -6.254 -4.168 1.00 53.12 H new ATOM 0 HD1 TYR A 69 -2.154 -5.694 -6.939 1.00 10.23 H new ATOM 0 HD2 TYR A 69 -1.052 -3.112 -3.729 1.00 62.31 H new ATOM 0 HE1 TYR A 69 -0.601 -4.511 -8.425 1.00 43.00 H new ATOM 0 HE2 TYR A 69 0.511 -1.934 -5.217 1.00 42.15 H new ATOM 0 HH TYR A 69 0.586 -2.537 -8.666 1.00 62.21 H new ATOM 1106 N MET A 70 -4.923 -7.084 -3.376 1.00 70.32 N ATOM 1107 CA MET A 70 -5.401 -8.430 -3.039 1.00 51.14 C ATOM 1108 C MET A 70 -6.909 -8.587 -3.307 1.00 64.01 C ATOM 1109 O MET A 70 -7.401 -9.697 -3.517 1.00 25.41 O ATOM 1110 CB MET A 70 -5.064 -8.751 -1.575 1.00 20.13 C ATOM 1111 CG MET A 70 -3.565 -8.758 -1.298 1.00 61.31 C ATOM 1112 SD MET A 70 -3.159 -9.047 0.439 1.00 72.23 S ATOM 1113 CE MET A 70 -3.916 -10.651 0.710 1.00 20.31 C ATOM 0 H MET A 70 -4.789 -6.471 -2.572 1.00 70.32 H new ATOM 0 HA MET A 70 -4.890 -9.143 -3.685 1.00 51.14 H new ATOM 0 HB2 MET A 70 -5.544 -8.017 -0.928 1.00 20.13 H new ATOM 0 HB3 MET A 70 -5.480 -9.725 -1.317 1.00 20.13 H new ATOM 0 HG2 MET A 70 -3.094 -9.529 -1.907 1.00 61.31 H new ATOM 0 HG3 MET A 70 -3.141 -7.803 -1.609 1.00 61.31 H new ATOM 0 HE1 MET A 70 -3.507 -11.098 1.616 1.00 20.31 H new ATOM 0 HE2 MET A 70 -4.994 -10.531 0.819 1.00 20.31 H new ATOM 0 HE3 MET A 70 -3.708 -11.300 -0.141 1.00 20.31 H new ATOM 1123 N ALA A 71 -7.633 -7.472 -3.316 1.00 40.12 N ATOM 1124 CA ALA A 71 -9.067 -7.481 -3.622 1.00 61.15 C ATOM 1125 C ALA A 71 -9.317 -7.730 -5.118 1.00 42.32 C ATOM 1126 O ALA A 71 -10.194 -8.512 -5.494 1.00 15.34 O ATOM 1127 CB ALA A 71 -9.706 -6.166 -3.188 1.00 4.11 C ATOM 0 H ALA A 71 -7.253 -6.547 -3.115 1.00 40.12 H new ATOM 0 HA ALA A 71 -9.526 -8.299 -3.066 1.00 61.15 H new ATOM 0 HB1 ALA A 71 -10.771 -6.185 -3.420 1.00 4.11 H new ATOM 0 HB2 ALA A 71 -9.571 -6.033 -2.115 1.00 4.11 H new ATOM 0 HB3 ALA A 71 -9.233 -5.339 -3.718 1.00 4.11 H new ATOM 1133 N ASN A 72 -8.537 -7.065 -5.971 1.00 32.21 N ATOM 1134 CA ASN A 72 -8.673 -7.215 -7.427 1.00 32.45 C ATOM 1135 C ASN A 72 -7.891 -8.448 -7.928 1.00 52.14 C ATOM 1136 O ASN A 72 -8.135 -8.948 -9.027 1.00 13.21 O ATOM 1137 CB ASN A 72 -8.179 -5.942 -8.141 1.00 44.52 C ATOM 1138 CG ASN A 72 -8.749 -5.785 -9.548 1.00 65.01 C ATOM 1139 OD1 ASN A 72 -9.092 -6.755 -10.215 1.00 15.23 O ATOM 1140 ND2 ASN A 72 -8.839 -4.557 -10.016 1.00 41.42 N ATOM 0 H ASN A 72 -7.804 -6.417 -5.683 1.00 32.21 H new ATOM 0 HA ASN A 72 -9.728 -7.363 -7.659 1.00 32.45 H new ATOM 0 HB2 ASN A 72 -8.451 -5.070 -7.546 1.00 44.52 H new ATOM 0 HB3 ASN A 72 -7.091 -5.963 -8.197 1.00 44.52 H new ATOM 0 HD21 ASN A 72 -9.201 -4.395 -10.955 1.00 41.42 H new ATOM 0 HD22 ASN A 72 -8.546 -3.769 -9.439 1.00 41.42 H new ATOM 1147 N LEU A 73 -6.957 -8.939 -7.108 1.00 14.42 N ATOM 1148 CA LEU A 73 -6.154 -10.123 -7.456 1.00 62.14 C ATOM 1149 C LEU A 73 -7.059 -11.302 -7.863 1.00 2.21 C ATOM 1150 O LEU A 73 -6.962 -11.810 -8.982 1.00 34.25 O ATOM 1151 CB LEU A 73 -5.245 -10.516 -6.269 1.00 72.11 C ATOM 1152 CG LEU A 73 -4.091 -11.505 -6.571 1.00 44.13 C ATOM 1153 CD1 LEU A 73 -4.599 -12.930 -6.787 1.00 20.15 C ATOM 1154 CD2 LEU A 73 -3.278 -11.030 -7.777 1.00 41.11 C ATOM 0 H LEU A 73 -6.736 -8.537 -6.197 1.00 14.42 H new ATOM 0 HA LEU A 73 -5.525 -9.875 -8.311 1.00 62.14 H new ATOM 0 HB2 LEU A 73 -4.812 -9.605 -5.856 1.00 72.11 H new ATOM 0 HB3 LEU A 73 -5.872 -10.952 -5.491 1.00 72.11 H new ATOM 0 HG LEU A 73 -3.441 -11.524 -5.696 1.00 44.13 H new ATOM 0 HD11 LEU A 73 -3.756 -13.589 -6.996 1.00 20.15 H new ATOM 0 HD12 LEU A 73 -5.114 -13.273 -5.890 1.00 20.15 H new ATOM 0 HD13 LEU A 73 -5.290 -12.946 -7.630 1.00 20.15 H new ATOM 0 HD21 LEU A 73 -2.472 -11.737 -7.974 1.00 41.11 H new ATOM 0 HD22 LEU A 73 -3.927 -10.966 -8.651 1.00 41.11 H new ATOM 0 HD23 LEU A 73 -2.855 -10.048 -7.567 1.00 41.11 H new ATOM 1166 N GLU A 74 -7.946 -11.722 -6.957 1.00 15.33 N ATOM 1167 CA GLU A 74 -8.860 -12.840 -7.231 1.00 40.44 C ATOM 1168 C GLU A 74 -9.805 -12.514 -8.401 1.00 24.24 C ATOM 1169 O GLU A 74 -10.234 -13.405 -9.124 1.00 0.31 O ATOM 1170 CB GLU A 74 -9.663 -13.204 -5.970 1.00 63.43 C ATOM 1171 CG GLU A 74 -10.561 -14.434 -6.129 1.00 62.22 C ATOM 1172 CD GLU A 74 -9.783 -15.701 -6.475 1.00 71.11 C ATOM 1173 OE1 GLU A 74 -8.980 -16.159 -5.637 1.00 74.43 O ATOM 1174 OE2 GLU A 74 -9.963 -16.242 -7.590 1.00 13.14 O ATOM 0 H GLU A 74 -8.052 -11.309 -6.031 1.00 15.33 H new ATOM 0 HA GLU A 74 -8.258 -13.702 -7.519 1.00 40.44 H new ATOM 0 HB2 GLU A 74 -8.968 -13.380 -5.149 1.00 63.43 H new ATOM 0 HB3 GLU A 74 -10.281 -12.351 -5.688 1.00 63.43 H new ATOM 0 HG2 GLU A 74 -11.114 -14.595 -5.204 1.00 62.22 H new ATOM 0 HG3 GLU A 74 -11.296 -14.241 -6.910 1.00 62.22 H new ATOM 1181 N HIS A 75 -10.113 -11.231 -8.592 1.00 31.51 N ATOM 1182 CA HIS A 75 -10.931 -10.798 -9.732 1.00 41.30 C ATOM 1183 C HIS A 75 -10.255 -11.170 -11.065 1.00 62.21 C ATOM 1184 O HIS A 75 -10.911 -11.625 -12.001 1.00 32.33 O ATOM 1185 CB HIS A 75 -11.180 -9.285 -9.663 1.00 60.11 C ATOM 1186 CG HIS A 75 -12.105 -8.775 -10.726 1.00 74.41 C ATOM 1187 ND1 HIS A 75 -11.693 -7.978 -11.770 1.00 33.10 N ATOM 1188 CD2 HIS A 75 -13.438 -8.943 -10.895 1.00 42.13 C ATOM 1189 CE1 HIS A 75 -12.727 -7.681 -12.529 1.00 11.53 C ATOM 1190 NE2 HIS A 75 -13.798 -8.251 -12.023 1.00 73.51 N ATOM 0 H HIS A 75 -9.812 -10.475 -7.977 1.00 31.51 H new ATOM 0 HA HIS A 75 -11.889 -11.315 -9.681 1.00 41.30 H new ATOM 0 HB2 HIS A 75 -11.594 -9.039 -8.685 1.00 60.11 H new ATOM 0 HB3 HIS A 75 -10.226 -8.765 -9.745 1.00 60.11 H new ATOM 0 HD2 HIS A 75 -14.096 -9.516 -10.259 1.00 42.13 H new ATOM 0 HE1 HIS A 75 -12.700 -7.070 -13.419 1.00 11.53 H new ATOM 0 HE2 HIS A 75 -14.741 -8.189 -12.406 1.00 73.51 H new ATOM 1199 N HIS A 76 -8.938 -10.969 -11.139 1.00 3.11 N ATOM 1200 CA HIS A 76 -8.155 -11.392 -12.310 1.00 71.31 C ATOM 1201 C HIS A 76 -7.971 -12.917 -12.327 1.00 62.12 C ATOM 1202 O HIS A 76 -8.144 -13.566 -13.360 1.00 21.44 O ATOM 1203 CB HIS A 76 -6.781 -10.705 -12.323 1.00 61.42 C ATOM 1204 CG HIS A 76 -6.837 -9.249 -12.665 1.00 34.24 C ATOM 1205 ND1 HIS A 76 -7.075 -8.158 -11.900 1.00 54.10 N flip ATOM 1206 CD2 HIS A 76 -6.624 -8.774 -13.940 1.00 33.03 C flip ATOM 1207 CE1 HIS A 76 -7.007 -7.065 -12.725 1.00 62.13 C flip ATOM 1208 NE2 HIS A 76 -6.733 -7.464 -13.948 1.00 52.53 N flip ATOM 0 H HIS A 76 -8.389 -10.518 -10.407 1.00 3.11 H new ATOM 0 HA HIS A 76 -8.708 -11.096 -13.201 1.00 71.31 H new ATOM 0 HB2 HIS A 76 -6.318 -10.821 -11.343 1.00 61.42 H new ATOM 0 HB3 HIS A 76 -6.138 -11.213 -13.042 1.00 61.42 H new ATOM 0 HD1 HIS A 76 -7.268 -8.150 -10.899 1.00 54.10 H new ATOM 0 HD2 HIS A 76 -6.401 -9.385 -14.802 1.00 33.03 H new ATOM 0 HE1 HIS A 76 -7.155 -6.040 -12.419 1.00 62.13 H new ATOM 1217 N HIS A 77 -7.636 -13.475 -11.165 1.00 75.21 N ATOM 1218 CA HIS A 77 -7.434 -14.919 -11.010 1.00 12.12 C ATOM 1219 C HIS A 77 -8.712 -15.713 -11.339 1.00 61.40 C ATOM 1220 O HIS A 77 -8.647 -16.871 -11.751 1.00 42.01 O ATOM 1221 CB HIS A 77 -6.970 -15.216 -9.579 1.00 23.13 C ATOM 1222 CG HIS A 77 -6.700 -16.664 -9.313 1.00 71.33 C ATOM 1223 ND1 HIS A 77 -7.606 -17.491 -8.691 1.00 11.32 N ATOM 1224 CD2 HIS A 77 -5.617 -17.433 -9.579 1.00 73.11 C ATOM 1225 CE1 HIS A 77 -7.098 -18.700 -8.583 1.00 51.52 C ATOM 1226 NE2 HIS A 77 -5.893 -18.695 -9.113 1.00 54.23 N ATOM 0 H HIS A 77 -7.497 -12.943 -10.306 1.00 75.21 H new ATOM 0 HA HIS A 77 -6.668 -15.237 -11.717 1.00 12.12 H new ATOM 0 HB2 HIS A 77 -6.064 -14.645 -9.376 1.00 23.13 H new ATOM 0 HB3 HIS A 77 -7.731 -14.865 -8.882 1.00 23.13 H new ATOM 0 HD1 HIS A 77 -8.530 -17.210 -8.364 1.00 11.32 H new ATOM 0 HD2 HIS A 77 -4.707 -17.114 -10.066 1.00 73.11 H new ATOM 0 HE1 HIS A 77 -7.587 -19.552 -8.135 1.00 51.52 H new ATOM 1235 N HIS A 78 -9.870 -15.084 -11.152 1.00 44.42 N ATOM 1236 CA HIS A 78 -11.158 -15.693 -11.507 1.00 13.55 C ATOM 1237 C HIS A 78 -11.414 -15.597 -13.021 1.00 52.12 C ATOM 1238 O HIS A 78 -12.148 -16.407 -13.592 1.00 21.24 O ATOM 1239 CB HIS A 78 -12.290 -15.008 -10.724 1.00 4.00 C ATOM 1240 CG HIS A 78 -13.652 -15.586 -10.972 1.00 65.44 C ATOM 1241 ND1 HIS A 78 -14.773 -14.809 -11.181 1.00 10.30 N ATOM 1242 CD2 HIS A 78 -14.075 -16.871 -11.035 1.00 3.03 C ATOM 1243 CE1 HIS A 78 -15.819 -15.587 -11.366 1.00 60.10 C ATOM 1244 NE2 HIS A 78 -15.425 -16.839 -11.282 1.00 22.35 N ATOM 0 H HIS A 78 -9.947 -14.148 -10.755 1.00 44.42 H new ATOM 0 HA HIS A 78 -11.129 -16.749 -11.240 1.00 13.55 H new ATOM 0 HB2 HIS A 78 -12.069 -15.073 -9.659 1.00 4.00 H new ATOM 0 HB3 HIS A 78 -12.305 -13.949 -10.982 1.00 4.00 H new ATOM 0 HD2 HIS A 78 -13.465 -17.754 -10.914 1.00 3.03 H new ATOM 0 HE1 HIS A 78 -16.829 -15.254 -11.555 1.00 60.10 H new ATOM 0 HE2 HIS A 78 -16.027 -17.656 -11.384 1.00 22.35 H new ATOM 1253 N HIS A 79 -10.801 -14.592 -13.654 1.00 55.41 N ATOM 1254 CA HIS A 79 -10.882 -14.392 -15.111 1.00 24.43 C ATOM 1255 C HIS A 79 -12.322 -14.133 -15.594 1.00 1.40 C ATOM 1256 O HIS A 79 -13.262 -14.059 -14.796 1.00 52.44 O ATOM 1257 CB HIS A 79 -10.285 -15.602 -15.849 1.00 72.10 C ATOM 1258 CG HIS A 79 -8.860 -15.894 -15.477 1.00 1.43 C ATOM 1259 ND1 HIS A 79 -8.507 -16.821 -14.523 1.00 52.50 N ATOM 1260 CD2 HIS A 79 -7.697 -15.384 -15.942 1.00 63.33 C ATOM 1261 CE1 HIS A 79 -7.197 -16.869 -14.418 1.00 42.44 C ATOM 1262 NE2 HIS A 79 -6.678 -16.008 -15.266 1.00 34.04 N ATOM 0 H HIS A 79 -10.234 -13.893 -13.174 1.00 55.41 H new ATOM 0 HA HIS A 79 -10.301 -13.500 -15.343 1.00 24.43 H new ATOM 0 HB2 HIS A 79 -10.894 -16.481 -15.638 1.00 72.10 H new ATOM 0 HB3 HIS A 79 -10.342 -15.425 -16.923 1.00 72.10 H new ATOM 0 HD1 HIS A 79 -9.161 -17.385 -13.980 1.00 52.50 H new ATOM 0 HD2 HIS A 79 -7.590 -14.626 -16.704 1.00 63.33 H new ATOM 0 HE1 HIS A 79 -6.641 -17.508 -13.748 1.00 42.44 H new ATOM 1271 N HIS A 80 -12.484 -13.975 -16.907 1.00 30.22 N ATOM 1272 CA HIS A 80 -13.808 -13.786 -17.520 1.00 62.25 C ATOM 1273 C HIS A 80 -13.783 -14.116 -19.032 1.00 3.42 C ATOM 1274 O HIS A 80 -13.866 -15.316 -19.380 1.00 38.46 O ATOM 1275 CB HIS A 80 -14.325 -12.354 -17.264 1.00 32.44 C ATOM 1276 CG HIS A 80 -13.315 -11.275 -17.525 1.00 25.43 C ATOM 1277 ND1 HIS A 80 -13.140 -10.686 -18.757 1.00 72.12 N ATOM 1278 CD2 HIS A 80 -12.427 -10.672 -16.697 1.00 75.22 C ATOM 1279 CE1 HIS A 80 -12.192 -9.775 -18.679 1.00 34.14 C ATOM 1280 NE2 HIS A 80 -11.744 -9.745 -17.442 1.00 72.14 N ATOM 1281 OXT HIS A 80 -13.669 -13.185 -19.861 1.00 38.46 O ATOM 0 H HIS A 80 -11.713 -13.973 -17.574 1.00 30.22 H new ATOM 0 HA HIS A 80 -14.501 -14.484 -17.050 1.00 62.25 H new ATOM 0 HB2 HIS A 80 -15.198 -12.178 -17.893 1.00 32.44 H new ATOM 0 HB3 HIS A 80 -14.658 -12.281 -16.229 1.00 32.44 H new ATOM 0 HD1 HIS A 80 -13.664 -10.919 -19.600 1.00 72.12 H new ATOM 0 HD2 HIS A 80 -12.284 -10.882 -15.647 1.00 75.22 H new ATOM 0 HE1 HIS A 80 -11.842 -9.157 -19.493 1.00 34.14 H new TER 1290 HIS A 80