USER MOD reduce.3.24.130724 H: found=0, std=0, add=943, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 943 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 51 ASN : amide:sc= 0.332 K(o=0.83,f=-3) USER MOD Set 1.2: A 108 HIS : no HE2:sc= 0.728 K(o=0.83,f=-5.3!) USER MOD Set 1.3: A 110 HIS : no HD1:sc= -0.232 X(o=0.83,f=1.3) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -120:sc= 1.03 (180deg=-0.0549) USER MOD Single : A 4 TYR OH : rot -104:sc= 0.632 USER MOD Single : A 9 SER OG : rot 180:sc= 0.00161 USER MOD Single : A 10 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 LYS NZ :NH3+ 142:sc= -0.634 (180deg=-2.41!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ -179:sc= 0.515 (180deg=0.514) USER MOD Single : A 21 MET CE :methyl -164:sc= -0.121 (180deg=-0.595) USER MOD Single : A 24 LYS NZ :NH3+ -120:sc= 0.725 (180deg=-0.0965) USER MOD Single : A 26 ASN : amide:sc= -0.0517 K(o=-0.052,f=-0.65) USER MOD Single : A 31 THR OG1 : rot 40:sc= 0.301 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ -178:sc= 0.568 (180deg=0.565) USER MOD Single : A 40 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.0062) USER MOD Single : A 41 TYR OH : rot -162:sc= 0.611 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 LYS NZ :NH3+ 143:sc= 1.54 (180deg=-0.257) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 66 LYS NZ :NH3+ -150:sc= 0.135 (180deg=-1.42) USER MOD Single : A 68 LYS NZ :NH3+ 143:sc= -0.9 (180deg=-2.47!) USER MOD Single : A 72 GLN :FLIP amide:sc= -0.0204 F(o=-1.1,f=-0.02) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 MET CE :methyl -144:sc= 0 (180deg=-1.32) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ -173:sc= -0.0139 (180deg=-0.101) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ -167:sc= 0.637 (180deg=0.518) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 SER OG : rot -1:sc= 0.652 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 105 HIS : no HD1:sc= -0.0382 X(o=-0.038,f=-0.14) USER MOD Single : A 106 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 107 HIS : no HD1:sc= -0.0551 X(o=-0.055,f=-0.054) USER MOD Single : A 109 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -10.436 -1.877 13.739 1.00 74.22 N ATOM 2 CA MET A 1 -10.250 -0.863 12.669 1.00 75.45 C ATOM 3 C MET A 1 -9.634 -1.536 11.434 1.00 5.55 C ATOM 4 O MET A 1 -8.605 -2.211 11.546 1.00 65.44 O ATOM 5 CB MET A 1 -9.359 0.306 13.175 1.00 71.32 C ATOM 6 CG MET A 1 -9.324 1.542 12.257 1.00 63.42 C ATOM 7 SD MET A 1 -10.925 2.375 12.153 1.00 53.22 S ATOM 8 CE MET A 1 -10.485 3.930 11.367 1.00 4.22 C ATOM 0 H1 MET A 1 -11.444 -1.939 13.987 1.00 74.22 H new ATOM 0 H2 MET A 1 -10.106 -2.803 13.401 1.00 74.22 H new ATOM 0 H3 MET A 1 -9.889 -1.600 14.579 1.00 74.22 H new ATOM 0 HA MET A 1 -11.217 -0.443 12.394 1.00 75.45 H new ATOM 0 HB2 MET A 1 -9.713 0.613 14.159 1.00 71.32 H new ATOM 0 HB3 MET A 1 -8.341 -0.062 13.303 1.00 71.32 H new ATOM 0 HG2 MET A 1 -8.577 2.244 12.627 1.00 63.42 H new ATOM 0 HG3 MET A 1 -9.010 1.239 11.258 1.00 63.42 H new ATOM 0 HE1 MET A 1 -11.379 4.541 11.243 1.00 4.22 H new ATOM 0 HE2 MET A 1 -9.766 4.462 11.990 1.00 4.22 H new ATOM 0 HE3 MET A 1 -10.042 3.732 10.391 1.00 4.22 H new ATOM 20 N LEU A 2 -10.280 -1.378 10.266 1.00 51.14 N ATOM 21 CA LEU A 2 -9.797 -1.970 9.006 1.00 12.44 C ATOM 22 C LEU A 2 -8.539 -1.227 8.507 1.00 42.44 C ATOM 23 O LEU A 2 -8.622 -0.078 8.073 1.00 30.13 O ATOM 24 CB LEU A 2 -10.921 -1.945 7.931 1.00 4.24 C ATOM 25 CG LEU A 2 -12.160 -2.865 8.174 1.00 63.52 C ATOM 26 CD1 LEU A 2 -13.144 -2.802 6.982 1.00 30.42 C ATOM 27 CD2 LEU A 2 -11.741 -4.323 8.482 1.00 32.45 C ATOM 0 H LEU A 2 -11.143 -0.842 10.168 1.00 51.14 H new ATOM 0 HA LEU A 2 -9.525 -3.009 9.190 1.00 12.44 H new ATOM 0 HB2 LEU A 2 -11.275 -0.919 7.836 1.00 4.24 H new ATOM 0 HB3 LEU A 2 -10.479 -2.219 6.973 1.00 4.24 H new ATOM 0 HG LEU A 2 -12.678 -2.487 9.055 1.00 63.52 H new ATOM 0 HD11 LEU A 2 -13.996 -3.452 7.179 1.00 30.42 H new ATOM 0 HD12 LEU A 2 -13.492 -1.777 6.851 1.00 30.42 H new ATOM 0 HD13 LEU A 2 -12.638 -3.132 6.075 1.00 30.42 H new ATOM 0 HD21 LEU A 2 -12.631 -4.931 8.645 1.00 32.45 H new ATOM 0 HD22 LEU A 2 -11.176 -4.725 7.641 1.00 32.45 H new ATOM 0 HD23 LEU A 2 -11.120 -4.342 9.378 1.00 32.45 H new ATOM 39 N LEU A 3 -7.365 -1.873 8.636 1.00 71.53 N ATOM 40 CA LEU A 3 -6.074 -1.326 8.158 1.00 22.34 C ATOM 41 C LEU A 3 -5.465 -2.257 7.092 1.00 61.31 C ATOM 42 O LEU A 3 -5.229 -3.453 7.349 1.00 2.02 O ATOM 43 CB LEU A 3 -5.098 -1.159 9.350 1.00 71.43 C ATOM 44 CG LEU A 3 -5.584 -0.258 10.526 1.00 73.15 C ATOM 45 CD1 LEU A 3 -4.529 -0.208 11.644 1.00 22.33 C ATOM 46 CD2 LEU A 3 -5.964 1.159 10.048 1.00 71.44 C ATOM 0 H LEU A 3 -7.281 -2.790 9.075 1.00 71.53 H new ATOM 0 HA LEU A 3 -6.247 -0.349 7.707 1.00 22.34 H new ATOM 0 HB2 LEU A 3 -4.874 -2.148 9.748 1.00 71.43 H new ATOM 0 HB3 LEU A 3 -4.162 -0.749 8.970 1.00 71.43 H new ATOM 0 HG LEU A 3 -6.490 -0.708 10.932 1.00 73.15 H new ATOM 0 HD11 LEU A 3 -4.888 0.426 12.455 1.00 22.33 H new ATOM 0 HD12 LEU A 3 -4.351 -1.215 12.022 1.00 22.33 H new ATOM 0 HD13 LEU A 3 -3.599 0.200 11.249 1.00 22.33 H new ATOM 0 HD21 LEU A 3 -6.297 1.753 10.899 1.00 71.44 H new ATOM 0 HD22 LEU A 3 -5.096 1.634 9.591 1.00 71.44 H new ATOM 0 HD23 LEU A 3 -6.768 1.092 9.315 1.00 71.44 H new ATOM 58 N TYR A 4 -5.230 -1.705 5.889 1.00 63.21 N ATOM 59 CA TYR A 4 -4.727 -2.453 4.721 1.00 14.25 C ATOM 60 C TYR A 4 -3.552 -1.698 4.086 1.00 75.10 C ATOM 61 O TYR A 4 -3.514 -0.468 4.107 1.00 13.33 O ATOM 62 CB TYR A 4 -5.878 -2.675 3.694 1.00 32.23 C ATOM 63 CG TYR A 4 -6.983 -3.601 4.233 1.00 54.25 C ATOM 64 CD1 TYR A 4 -6.903 -4.983 4.073 1.00 44.41 C ATOM 65 CD2 TYR A 4 -8.065 -3.103 4.962 1.00 3.21 C ATOM 66 CE1 TYR A 4 -7.850 -5.829 4.617 1.00 14.22 C ATOM 67 CE2 TYR A 4 -9.019 -3.950 5.495 1.00 54.14 C ATOM 68 CZ TYR A 4 -8.901 -5.308 5.325 1.00 24.22 C ATOM 69 OH TYR A 4 -9.838 -6.147 5.886 1.00 2.23 O ATOM 0 H TYR A 4 -5.385 -0.715 5.697 1.00 63.21 H new ATOM 0 HA TYR A 4 -4.369 -3.431 5.042 1.00 14.25 H new ATOM 0 HB2 TYR A 4 -6.314 -1.712 3.429 1.00 32.23 H new ATOM 0 HB3 TYR A 4 -5.466 -3.101 2.779 1.00 32.23 H new ATOM 0 HD1 TYR A 4 -6.082 -5.402 3.511 1.00 44.41 H new ATOM 0 HD2 TYR A 4 -8.158 -2.038 5.112 1.00 3.21 H new ATOM 0 HE1 TYR A 4 -7.762 -6.897 4.485 1.00 14.22 H new ATOM 0 HE2 TYR A 4 -9.856 -3.544 6.044 1.00 54.14 H new ATOM 0 HH TYR A 4 -10.656 -6.130 5.347 1.00 2.23 H new ATOM 79 N VAL A 5 -2.572 -2.456 3.575 1.00 43.12 N ATOM 80 CA VAL A 5 -1.376 -1.925 2.900 1.00 10.51 C ATOM 81 C VAL A 5 -1.288 -2.525 1.479 1.00 54.23 C ATOM 82 O VAL A 5 -1.476 -3.727 1.301 1.00 53.43 O ATOM 83 CB VAL A 5 -0.067 -2.259 3.735 1.00 62.23 C ATOM 84 CG1 VAL A 5 1.226 -1.800 3.018 1.00 55.13 C ATOM 85 CG2 VAL A 5 -0.150 -1.653 5.166 1.00 14.41 C ATOM 0 H VAL A 5 -2.587 -3.475 3.619 1.00 43.12 H new ATOM 0 HA VAL A 5 -1.454 -0.840 2.827 1.00 10.51 H new ATOM 0 HB VAL A 5 -0.016 -3.345 3.819 1.00 62.23 H new ATOM 0 HG11 VAL A 5 2.091 -2.052 3.631 1.00 55.13 H new ATOM 0 HG12 VAL A 5 1.306 -2.303 2.054 1.00 55.13 H new ATOM 0 HG13 VAL A 5 1.193 -0.722 2.863 1.00 55.13 H new ATOM 0 HG21 VAL A 5 0.758 -1.896 5.717 1.00 14.41 H new ATOM 0 HG22 VAL A 5 -0.254 -0.570 5.097 1.00 14.41 H new ATOM 0 HG23 VAL A 5 -1.013 -2.068 5.687 1.00 14.41 H new ATOM 95 N LEU A 6 -1.050 -1.668 0.472 1.00 44.41 N ATOM 96 CA LEU A 6 -0.823 -2.077 -0.931 1.00 3.01 C ATOM 97 C LEU A 6 0.593 -1.660 -1.332 1.00 62.44 C ATOM 98 O LEU A 6 0.928 -0.498 -1.206 1.00 12.51 O ATOM 99 CB LEU A 6 -1.867 -1.398 -1.871 1.00 52.45 C ATOM 100 CG LEU A 6 -3.366 -1.704 -1.569 1.00 63.12 C ATOM 101 CD1 LEU A 6 -4.324 -1.007 -2.567 1.00 0.43 C ATOM 102 CD2 LEU A 6 -3.614 -3.215 -1.528 1.00 65.24 C ATOM 0 H LEU A 6 -1.009 -0.658 0.608 1.00 44.41 H new ATOM 0 HA LEU A 6 -0.936 -3.157 -1.023 1.00 3.01 H new ATOM 0 HB2 LEU A 6 -1.721 -0.319 -1.823 1.00 52.45 H new ATOM 0 HB3 LEU A 6 -1.655 -1.703 -2.896 1.00 52.45 H new ATOM 0 HG LEU A 6 -3.586 -1.291 -0.584 1.00 63.12 H new ATOM 0 HD11 LEU A 6 -5.355 -1.252 -2.313 1.00 0.43 H new ATOM 0 HD12 LEU A 6 -4.184 0.073 -2.512 1.00 0.43 H new ATOM 0 HD13 LEU A 6 -4.108 -1.350 -3.579 1.00 0.43 H new ATOM 0 HD21 LEU A 6 -4.666 -3.405 -1.316 1.00 65.24 H new ATOM 0 HD22 LEU A 6 -3.353 -3.653 -2.492 1.00 65.24 H new ATOM 0 HD23 LEU A 6 -3.000 -3.664 -0.747 1.00 65.24 H new ATOM 114 N ILE A 7 1.430 -2.591 -1.799 1.00 42.32 N ATOM 115 CA ILE A 7 2.820 -2.268 -2.175 1.00 73.12 C ATOM 116 C ILE A 7 3.046 -2.477 -3.686 1.00 50.10 C ATOM 117 O ILE A 7 2.909 -3.590 -4.200 1.00 63.30 O ATOM 118 CB ILE A 7 3.857 -3.092 -1.315 1.00 23.54 C ATOM 119 CG1 ILE A 7 5.320 -2.674 -1.669 1.00 22.12 C ATOM 120 CG2 ILE A 7 3.659 -4.621 -1.456 1.00 30.43 C ATOM 121 CD1 ILE A 7 6.387 -3.369 -0.847 1.00 54.11 C ATOM 0 H ILE A 7 1.177 -3.571 -1.927 1.00 42.32 H new ATOM 0 HA ILE A 7 2.987 -1.213 -1.958 1.00 73.12 H new ATOM 0 HB ILE A 7 3.672 -2.851 -0.268 1.00 23.54 H new ATOM 0 HG12 ILE A 7 5.499 -2.882 -2.724 1.00 22.12 H new ATOM 0 HG13 ILE A 7 5.420 -1.597 -1.535 1.00 22.12 H new ATOM 0 HG21 ILE A 7 4.397 -5.141 -0.845 1.00 30.43 H new ATOM 0 HG22 ILE A 7 2.657 -4.890 -1.123 1.00 30.43 H new ATOM 0 HG23 ILE A 7 3.784 -4.909 -2.500 1.00 30.43 H new ATOM 0 HD11 ILE A 7 7.371 -3.020 -1.159 1.00 54.11 H new ATOM 0 HD12 ILE A 7 6.239 -3.142 0.209 1.00 54.11 H new ATOM 0 HD13 ILE A 7 6.319 -4.446 -0.999 1.00 54.11 H new ATOM 133 N ILE A 8 3.348 -1.385 -4.408 1.00 14.00 N ATOM 134 CA ILE A 8 3.759 -1.447 -5.816 1.00 65.11 C ATOM 135 C ILE A 8 5.289 -1.246 -5.861 1.00 54.44 C ATOM 136 O ILE A 8 5.781 -0.115 -5.746 1.00 31.34 O ATOM 137 CB ILE A 8 3.041 -0.323 -6.670 1.00 71.11 C ATOM 138 CG1 ILE A 8 1.512 -0.273 -6.341 1.00 4.34 C ATOM 139 CG2 ILE A 8 3.284 -0.537 -8.190 1.00 33.10 C ATOM 140 CD1 ILE A 8 0.734 0.834 -7.030 1.00 22.53 C ATOM 0 H ILE A 8 3.313 -0.438 -4.031 1.00 14.00 H new ATOM 0 HA ILE A 8 3.478 -2.410 -6.242 1.00 65.11 H new ATOM 0 HB ILE A 8 3.475 0.640 -6.400 1.00 71.11 H new ATOM 0 HG12 ILE A 8 1.067 -1.230 -6.613 1.00 4.34 H new ATOM 0 HG13 ILE A 8 1.393 -0.161 -5.263 1.00 4.34 H new ATOM 0 HG21 ILE A 8 2.780 0.248 -8.753 1.00 33.10 H new ATOM 0 HG22 ILE A 8 4.354 -0.502 -8.396 1.00 33.10 H new ATOM 0 HG23 ILE A 8 2.889 -1.508 -8.488 1.00 33.10 H new ATOM 0 HD11 ILE A 8 -0.314 0.780 -6.735 1.00 22.53 H new ATOM 0 HD12 ILE A 8 1.144 1.802 -6.740 1.00 22.53 H new ATOM 0 HD13 ILE A 8 0.813 0.716 -8.111 1.00 22.53 H new ATOM 152 N SER A 9 6.025 -2.356 -5.993 1.00 43.52 N ATOM 153 CA SER A 9 7.494 -2.338 -6.085 1.00 20.44 C ATOM 154 C SER A 9 7.982 -3.653 -6.698 1.00 4.02 C ATOM 155 O SER A 9 7.391 -4.711 -6.461 1.00 53.21 O ATOM 156 CB SER A 9 8.141 -2.120 -4.689 1.00 72.13 C ATOM 157 OG SER A 9 9.559 -2.008 -4.776 1.00 41.20 O ATOM 0 H SER A 9 5.622 -3.292 -6.039 1.00 43.52 H new ATOM 0 HA SER A 9 7.793 -1.506 -6.723 1.00 20.44 H new ATOM 0 HB2 SER A 9 7.732 -1.217 -4.236 1.00 72.13 H new ATOM 0 HB3 SER A 9 7.881 -2.952 -4.034 1.00 72.13 H new ATOM 0 HG SER A 9 9.932 -1.870 -3.880 1.00 41.20 H new ATOM 163 N ASN A 10 9.030 -3.556 -7.520 1.00 71.40 N ATOM 164 CA ASN A 10 9.725 -4.713 -8.115 1.00 24.51 C ATOM 165 C ASN A 10 10.915 -5.136 -7.238 1.00 51.12 C ATOM 166 O ASN A 10 11.455 -6.236 -7.412 1.00 32.21 O ATOM 167 CB ASN A 10 10.214 -4.348 -9.536 1.00 55.32 C ATOM 168 CG ASN A 10 9.070 -3.925 -10.459 1.00 2.21 C ATOM 169 OD1 ASN A 10 8.700 -2.752 -10.499 1.00 13.45 O ATOM 170 ND2 ASN A 10 8.521 -4.854 -11.220 1.00 0.43 N ATOM 0 H ASN A 10 9.430 -2.660 -7.799 1.00 71.40 H new ATOM 0 HA ASN A 10 9.030 -5.550 -8.177 1.00 24.51 H new ATOM 0 HB2 ASN A 10 10.941 -3.539 -9.470 1.00 55.32 H new ATOM 0 HB3 ASN A 10 10.729 -5.205 -9.971 1.00 55.32 H new ATOM 0 HD21 ASN A 10 7.769 -4.607 -11.863 1.00 0.43 H new ATOM 0 HD22 ASN A 10 8.849 -5.818 -11.165 1.00 0.43 H new ATOM 177 N ASP A 11 11.335 -4.240 -6.307 1.00 14.41 N ATOM 178 CA ASP A 11 12.402 -4.540 -5.343 1.00 64.31 C ATOM 179 C ASP A 11 11.892 -5.581 -4.356 1.00 2.12 C ATOM 180 O ASP A 11 11.142 -5.241 -3.434 1.00 54.25 O ATOM 181 CB ASP A 11 12.882 -3.269 -4.582 1.00 1.22 C ATOM 182 CG ASP A 11 13.623 -2.265 -5.470 1.00 42.33 C ATOM 183 OD1 ASP A 11 14.757 -2.565 -5.901 1.00 10.11 O ATOM 184 OD2 ASP A 11 13.086 -1.170 -5.740 1.00 63.04 O ATOM 0 H ASP A 11 10.943 -3.303 -6.212 1.00 14.41 H new ATOM 0 HA ASP A 11 13.262 -4.924 -5.892 1.00 64.31 H new ATOM 0 HB2 ASP A 11 12.019 -2.777 -4.134 1.00 1.22 H new ATOM 0 HB3 ASP A 11 13.537 -3.571 -3.765 1.00 1.22 H new ATOM 189 N LYS A 12 12.269 -6.854 -4.591 1.00 61.43 N ATOM 190 CA LYS A 12 11.865 -7.982 -3.740 1.00 44.34 C ATOM 191 C LYS A 12 12.336 -7.779 -2.298 1.00 62.34 C ATOM 192 O LYS A 12 11.593 -8.073 -1.378 1.00 34.11 O ATOM 193 CB LYS A 12 12.375 -9.339 -4.302 1.00 33.54 C ATOM 194 CG LYS A 12 11.683 -9.781 -5.611 1.00 13.33 C ATOM 195 CD LYS A 12 10.155 -10.050 -5.466 1.00 60.12 C ATOM 196 CE LYS A 12 9.803 -11.373 -4.739 1.00 41.31 C ATOM 197 NZ LYS A 12 10.105 -11.359 -3.277 1.00 64.21 N ATOM 0 H LYS A 12 12.861 -7.125 -5.376 1.00 61.43 H new ATOM 0 HA LYS A 12 10.775 -8.015 -3.742 1.00 44.34 H new ATOM 0 HB2 LYS A 12 13.448 -9.267 -4.478 1.00 33.54 H new ATOM 0 HB3 LYS A 12 12.227 -10.111 -3.547 1.00 33.54 H new ATOM 0 HG2 LYS A 12 11.835 -9.011 -6.367 1.00 13.33 H new ATOM 0 HG3 LYS A 12 12.167 -10.687 -5.977 1.00 13.33 H new ATOM 0 HD2 LYS A 12 9.702 -9.220 -4.923 1.00 60.12 H new ATOM 0 HD3 LYS A 12 9.705 -10.065 -6.459 1.00 60.12 H new ATOM 0 HE2 LYS A 12 8.742 -11.582 -4.879 1.00 41.31 H new ATOM 0 HE3 LYS A 12 10.353 -12.190 -5.206 1.00 41.31 H new ATOM 0 HZ1 LYS A 12 9.359 -11.871 -2.764 1.00 64.21 H new ATOM 0 HZ2 LYS A 12 11.021 -11.821 -3.107 1.00 64.21 H new ATOM 0 HZ3 LYS A 12 10.145 -10.376 -2.940 1.00 64.21 H new ATOM 211 N LYS A 13 13.543 -7.206 -2.131 1.00 62.42 N ATOM 212 CA LYS A 13 14.101 -6.883 -0.811 1.00 43.03 C ATOM 213 C LYS A 13 13.177 -5.906 -0.058 1.00 75.42 C ATOM 214 O LYS A 13 12.898 -6.108 1.120 1.00 20.32 O ATOM 215 CB LYS A 13 15.526 -6.285 -0.937 1.00 10.00 C ATOM 216 CG LYS A 13 16.594 -7.299 -1.397 1.00 10.41 C ATOM 217 CD LYS A 13 18.025 -6.725 -1.297 1.00 22.30 C ATOM 218 CE LYS A 13 19.103 -7.794 -1.541 1.00 63.22 C ATOM 219 NZ LYS A 13 19.161 -8.251 -2.957 1.00 33.51 N ATOM 0 H LYS A 13 14.155 -6.956 -2.908 1.00 62.42 H new ATOM 0 HA LYS A 13 14.171 -7.810 -0.242 1.00 43.03 H new ATOM 0 HB2 LYS A 13 15.499 -5.455 -1.643 1.00 10.00 H new ATOM 0 HB3 LYS A 13 15.823 -5.873 0.028 1.00 10.00 H new ATOM 0 HG2 LYS A 13 16.523 -8.200 -0.788 1.00 10.41 H new ATOM 0 HG3 LYS A 13 16.393 -7.593 -2.427 1.00 10.41 H new ATOM 0 HD2 LYS A 13 18.143 -5.921 -2.024 1.00 22.30 H new ATOM 0 HD3 LYS A 13 18.169 -6.286 -0.310 1.00 22.30 H new ATOM 0 HE2 LYS A 13 20.075 -7.393 -1.254 1.00 63.22 H new ATOM 0 HE3 LYS A 13 18.909 -8.651 -0.896 1.00 63.22 H new ATOM 0 HZ1 LYS A 13 19.905 -8.970 -3.059 1.00 33.51 H new ATOM 0 HZ2 LYS A 13 18.244 -8.661 -3.227 1.00 33.51 H new ATOM 0 HZ3 LYS A 13 19.374 -7.442 -3.574 1.00 33.51 H new ATOM 233 N LEU A 14 12.689 -4.877 -0.776 1.00 31.32 N ATOM 234 CA LEU A 14 11.765 -3.860 -0.223 1.00 42.03 C ATOM 235 C LEU A 14 10.414 -4.513 0.166 1.00 74.15 C ATOM 236 O LEU A 14 9.822 -4.153 1.190 1.00 52.32 O ATOM 237 CB LEU A 14 11.597 -2.697 -1.260 1.00 50.33 C ATOM 238 CG LEU A 14 10.936 -1.346 -0.778 1.00 33.24 C ATOM 239 CD1 LEU A 14 11.344 -0.177 -1.701 1.00 63.13 C ATOM 240 CD2 LEU A 14 9.400 -1.423 -0.696 1.00 50.45 C ATOM 0 H LEU A 14 12.922 -4.724 -1.757 1.00 31.32 H new ATOM 0 HA LEU A 14 12.179 -3.434 0.691 1.00 42.03 H new ATOM 0 HB2 LEU A 14 12.585 -2.460 -1.655 1.00 50.33 H new ATOM 0 HB3 LEU A 14 11.004 -3.078 -2.092 1.00 50.33 H new ATOM 0 HG LEU A 14 11.310 -1.170 0.231 1.00 33.24 H new ATOM 0 HD11 LEU A 14 10.877 0.743 -1.350 1.00 63.13 H new ATOM 0 HD12 LEU A 14 12.428 -0.063 -1.686 1.00 63.13 H new ATOM 0 HD13 LEU A 14 11.015 -0.385 -2.719 1.00 63.13 H new ATOM 0 HD21 LEU A 14 9.005 -0.465 -0.359 1.00 50.45 H new ATOM 0 HD22 LEU A 14 8.994 -1.657 -1.680 1.00 50.45 H new ATOM 0 HD23 LEU A 14 9.112 -2.202 0.010 1.00 50.45 H new ATOM 252 N ILE A 15 9.954 -5.483 -0.654 1.00 50.44 N ATOM 253 CA ILE A 15 8.698 -6.227 -0.415 1.00 61.24 C ATOM 254 C ILE A 15 8.824 -7.115 0.841 1.00 65.32 C ATOM 255 O ILE A 15 7.886 -7.196 1.640 1.00 25.23 O ATOM 256 CB ILE A 15 8.301 -7.112 -1.662 1.00 1.12 C ATOM 257 CG1 ILE A 15 8.143 -6.233 -2.947 1.00 14.00 C ATOM 258 CG2 ILE A 15 7.007 -7.918 -1.393 1.00 22.22 C ATOM 259 CD1 ILE A 15 7.896 -7.021 -4.227 1.00 22.50 C ATOM 0 H ILE A 15 10.443 -5.772 -1.501 1.00 50.44 H new ATOM 0 HA ILE A 15 7.909 -5.492 -0.256 1.00 61.24 H new ATOM 0 HB ILE A 15 9.111 -7.822 -1.830 1.00 1.12 H new ATOM 0 HG12 ILE A 15 7.316 -5.539 -2.797 1.00 14.00 H new ATOM 0 HG13 ILE A 15 9.044 -5.632 -3.074 1.00 14.00 H new ATOM 0 HG21 ILE A 15 6.762 -8.516 -2.271 1.00 22.22 H new ATOM 0 HG22 ILE A 15 7.159 -8.575 -0.537 1.00 22.22 H new ATOM 0 HG23 ILE A 15 6.188 -7.231 -1.182 1.00 22.22 H new ATOM 0 HD11 ILE A 15 7.799 -6.332 -5.066 1.00 22.50 H new ATOM 0 HD12 ILE A 15 8.733 -7.695 -4.406 1.00 22.50 H new ATOM 0 HD13 ILE A 15 6.979 -7.601 -4.126 1.00 22.50 H new ATOM 271 N GLU A 16 9.992 -7.768 1.002 1.00 51.21 N ATOM 272 CA GLU A 16 10.278 -8.602 2.183 1.00 64.32 C ATOM 273 C GLU A 16 10.305 -7.726 3.450 1.00 13.22 C ATOM 274 O GLU A 16 9.662 -8.047 4.442 1.00 63.03 O ATOM 275 CB GLU A 16 11.621 -9.371 2.045 1.00 52.11 C ATOM 276 CG GLU A 16 11.783 -10.241 0.778 1.00 34.32 C ATOM 277 CD GLU A 16 10.594 -11.177 0.474 1.00 30.12 C ATOM 278 OE1 GLU A 16 10.443 -12.201 1.176 1.00 70.35 O ATOM 279 OE2 GLU A 16 9.810 -10.898 -0.472 1.00 4.11 O ATOM 0 H GLU A 16 10.754 -7.733 0.325 1.00 51.21 H new ATOM 0 HA GLU A 16 9.482 -9.342 2.261 1.00 64.32 H new ATOM 0 HB2 GLU A 16 12.435 -8.646 2.069 1.00 52.11 H new ATOM 0 HB3 GLU A 16 11.740 -10.012 2.918 1.00 52.11 H new ATOM 0 HG2 GLU A 16 11.937 -9.584 -0.078 1.00 34.32 H new ATOM 0 HG3 GLU A 16 12.684 -10.845 0.883 1.00 34.32 H new ATOM 286 N GLU A 17 11.024 -6.589 3.369 1.00 10.53 N ATOM 287 CA GLU A 17 11.157 -5.619 4.474 1.00 3.42 C ATOM 288 C GLU A 17 9.785 -5.090 4.936 1.00 22.55 C ATOM 289 O GLU A 17 9.509 -5.000 6.144 1.00 3.41 O ATOM 290 CB GLU A 17 12.061 -4.432 4.044 1.00 3.42 C ATOM 291 CG GLU A 17 13.552 -4.777 3.875 1.00 63.21 C ATOM 292 CD GLU A 17 14.206 -5.325 5.154 1.00 33.11 C ATOM 293 OE1 GLU A 17 14.305 -4.573 6.144 1.00 53.24 O ATOM 294 OE2 GLU A 17 14.621 -6.504 5.179 1.00 41.22 O ATOM 0 H GLU A 17 11.533 -6.316 2.528 1.00 10.53 H new ATOM 0 HA GLU A 17 11.617 -6.140 5.313 1.00 3.42 H new ATOM 0 HB2 GLU A 17 11.687 -4.033 3.101 1.00 3.42 H new ATOM 0 HB3 GLU A 17 11.969 -3.638 4.785 1.00 3.42 H new ATOM 0 HG2 GLU A 17 13.658 -5.514 3.079 1.00 63.21 H new ATOM 0 HG3 GLU A 17 14.089 -3.884 3.556 1.00 63.21 H new ATOM 301 N ALA A 18 8.935 -4.773 3.950 1.00 22.22 N ATOM 302 CA ALA A 18 7.585 -4.248 4.179 1.00 75.52 C ATOM 303 C ALA A 18 6.670 -5.326 4.789 1.00 62.23 C ATOM 304 O ALA A 18 5.874 -5.036 5.686 1.00 50.31 O ATOM 305 CB ALA A 18 7.005 -3.730 2.857 1.00 74.33 C ATOM 0 H ALA A 18 9.169 -4.875 2.962 1.00 22.22 H new ATOM 0 HA ALA A 18 7.644 -3.424 4.890 1.00 75.52 H new ATOM 0 HB1 ALA A 18 6.002 -3.340 3.028 1.00 74.33 H new ATOM 0 HB2 ALA A 18 7.641 -2.936 2.467 1.00 74.33 H new ATOM 0 HB3 ALA A 18 6.959 -4.546 2.135 1.00 74.33 H new ATOM 311 N ARG A 19 6.795 -6.564 4.270 1.00 60.32 N ATOM 312 CA ARG A 19 6.003 -7.729 4.725 1.00 30.03 C ATOM 313 C ARG A 19 6.312 -8.085 6.188 1.00 73.23 C ATOM 314 O ARG A 19 5.396 -8.305 6.971 1.00 73.12 O ATOM 315 CB ARG A 19 6.261 -8.957 3.810 1.00 72.22 C ATOM 316 CG ARG A 19 5.536 -10.258 4.235 1.00 73.15 C ATOM 317 CD ARG A 19 5.772 -11.415 3.247 1.00 35.54 C ATOM 318 NE ARG A 19 5.212 -11.116 1.908 1.00 75.01 N ATOM 319 CZ ARG A 19 5.920 -11.015 0.769 1.00 71.20 C ATOM 320 NH1 ARG A 19 7.241 -11.174 0.761 1.00 41.14 N ATOM 321 NH2 ARG A 19 5.291 -10.756 -0.367 1.00 11.33 N ATOM 0 H ARG A 19 7.450 -6.787 3.521 1.00 60.32 H new ATOM 0 HA ARG A 19 4.950 -7.454 4.660 1.00 30.03 H new ATOM 0 HB2 ARG A 19 5.955 -8.704 2.795 1.00 72.22 H new ATOM 0 HB3 ARG A 19 7.333 -9.150 3.781 1.00 72.22 H new ATOM 0 HG2 ARG A 19 5.880 -10.555 5.226 1.00 73.15 H new ATOM 0 HG3 ARG A 19 4.466 -10.065 4.314 1.00 73.15 H new ATOM 0 HD2 ARG A 19 6.842 -11.606 3.160 1.00 35.54 H new ATOM 0 HD3 ARG A 19 5.316 -12.325 3.637 1.00 35.54 H new ATOM 0 HE ARG A 19 4.204 -10.975 1.845 1.00 75.01 H new ATOM 0 HH11 ARG A 19 7.736 -11.377 1.630 1.00 41.14 H new ATOM 0 HH12 ARG A 19 7.759 -11.093 -0.114 1.00 41.14 H new ATOM 0 HH21 ARG A 19 4.278 -10.635 -0.373 1.00 11.33 H new ATOM 0 HH22 ARG A 19 5.819 -10.678 -1.236 1.00 11.33 H new ATOM 335 N LYS A 20 7.610 -8.111 6.541 1.00 62.21 N ATOM 336 CA LYS A 20 8.070 -8.475 7.901 1.00 73.21 C ATOM 337 C LYS A 20 7.602 -7.430 8.936 1.00 34.05 C ATOM 338 O LYS A 20 7.338 -7.768 10.094 1.00 51.45 O ATOM 339 CB LYS A 20 9.621 -8.640 7.936 1.00 1.23 C ATOM 340 CG LYS A 20 10.179 -9.760 7.019 1.00 54.34 C ATOM 341 CD LYS A 20 9.630 -11.165 7.346 1.00 75.51 C ATOM 342 CE LYS A 20 10.074 -11.679 8.722 1.00 23.51 C ATOM 343 NZ LYS A 20 9.399 -12.957 9.074 1.00 32.12 N ATOM 0 H LYS A 20 8.368 -7.882 5.899 1.00 62.21 H new ATOM 0 HA LYS A 20 7.624 -9.434 8.165 1.00 73.21 H new ATOM 0 HB2 LYS A 20 10.079 -7.694 7.649 1.00 1.23 H new ATOM 0 HB3 LYS A 20 9.927 -8.844 8.962 1.00 1.23 H new ATOM 0 HG2 LYS A 20 9.942 -9.520 5.983 1.00 54.34 H new ATOM 0 HG3 LYS A 20 11.266 -9.777 7.102 1.00 54.34 H new ATOM 0 HD2 LYS A 20 8.541 -11.141 7.308 1.00 75.51 H new ATOM 0 HD3 LYS A 20 9.961 -11.865 6.579 1.00 75.51 H new ATOM 0 HE2 LYS A 20 11.154 -11.825 8.725 1.00 23.51 H new ATOM 0 HE3 LYS A 20 9.851 -10.928 9.480 1.00 23.51 H new ATOM 0 HZ1 LYS A 20 9.710 -13.266 10.017 1.00 32.12 H new ATOM 0 HZ2 LYS A 20 8.369 -12.816 9.078 1.00 32.12 H new ATOM 0 HZ3 LYS A 20 9.646 -13.684 8.373 1.00 32.12 H new ATOM 357 N MET A 21 7.492 -6.166 8.491 1.00 60.34 N ATOM 358 CA MET A 21 6.902 -5.075 9.289 1.00 32.51 C ATOM 359 C MET A 21 5.390 -5.256 9.431 1.00 72.21 C ATOM 360 O MET A 21 4.849 -5.082 10.521 1.00 0.12 O ATOM 361 CB MET A 21 7.199 -3.699 8.640 1.00 74.22 C ATOM 362 CG MET A 21 8.621 -3.207 8.867 1.00 72.44 C ATOM 363 SD MET A 21 9.035 -3.027 10.612 1.00 75.34 S ATOM 364 CE MET A 21 7.769 -1.891 11.188 1.00 62.15 C ATOM 0 H MET A 21 7.810 -5.871 7.568 1.00 60.34 H new ATOM 0 HA MET A 21 7.356 -5.109 10.280 1.00 32.51 H new ATOM 0 HB2 MET A 21 7.015 -3.766 7.568 1.00 74.22 H new ATOM 0 HB3 MET A 21 6.502 -2.962 9.038 1.00 74.22 H new ATOM 0 HG2 MET A 21 9.319 -3.904 8.404 1.00 72.44 H new ATOM 0 HG3 MET A 21 8.751 -2.247 8.368 1.00 72.44 H new ATOM 0 HE1 MET A 21 8.064 -1.476 12.152 1.00 62.15 H new ATOM 0 HE2 MET A 21 7.650 -1.083 10.466 1.00 62.15 H new ATOM 0 HE3 MET A 21 6.824 -2.424 11.296 1.00 62.15 H new ATOM 374 N ALA A 22 4.732 -5.600 8.316 1.00 41.44 N ATOM 375 CA ALA A 22 3.274 -5.766 8.260 1.00 61.35 C ATOM 376 C ALA A 22 2.801 -6.936 9.144 1.00 41.12 C ATOM 377 O ALA A 22 1.707 -6.881 9.691 1.00 73.01 O ATOM 378 CB ALA A 22 2.812 -5.957 6.811 1.00 0.00 C ATOM 0 H ALA A 22 5.198 -5.771 7.425 1.00 41.44 H new ATOM 0 HA ALA A 22 2.820 -4.856 8.653 1.00 61.35 H new ATOM 0 HB1 ALA A 22 1.729 -6.079 6.787 1.00 0.00 H new ATOM 0 HB2 ALA A 22 3.092 -5.084 6.222 1.00 0.00 H new ATOM 0 HB3 ALA A 22 3.286 -6.845 6.392 1.00 0.00 H new ATOM 384 N GLU A 23 3.630 -7.995 9.257 1.00 3.44 N ATOM 385 CA GLU A 23 3.378 -9.138 10.168 1.00 5.02 C ATOM 386 C GLU A 23 3.373 -8.668 11.635 1.00 75.21 C ATOM 387 O GLU A 23 2.435 -8.957 12.389 1.00 43.21 O ATOM 388 CB GLU A 23 4.447 -10.247 9.967 1.00 11.45 C ATOM 389 CG GLU A 23 4.451 -10.896 8.563 1.00 34.31 C ATOM 390 CD GLU A 23 5.573 -11.939 8.373 1.00 4.41 C ATOM 391 OE1 GLU A 23 6.696 -11.723 8.879 1.00 71.44 O ATOM 392 OE2 GLU A 23 5.338 -12.983 7.731 1.00 21.43 O ATOM 0 H GLU A 23 4.493 -8.084 8.721 1.00 3.44 H new ATOM 0 HA GLU A 23 2.399 -9.553 9.929 1.00 5.02 H new ATOM 0 HB2 GLU A 23 5.432 -9.822 10.158 1.00 11.45 H new ATOM 0 HB3 GLU A 23 4.286 -11.026 10.712 1.00 11.45 H new ATOM 0 HG2 GLU A 23 3.487 -11.374 8.389 1.00 34.31 H new ATOM 0 HG3 GLU A 23 4.560 -10.115 7.810 1.00 34.31 H new ATOM 399 N LYS A 24 4.419 -7.908 12.005 1.00 14.32 N ATOM 400 CA LYS A 24 4.575 -7.335 13.359 1.00 61.12 C ATOM 401 C LYS A 24 3.447 -6.328 13.670 1.00 42.04 C ATOM 402 O LYS A 24 3.040 -6.168 14.823 1.00 22.52 O ATOM 403 CB LYS A 24 5.961 -6.641 13.487 1.00 21.34 C ATOM 404 CG LYS A 24 7.169 -7.584 13.276 1.00 22.12 C ATOM 405 CD LYS A 24 8.527 -6.854 13.408 1.00 23.21 C ATOM 406 CE LYS A 24 9.718 -7.782 13.116 1.00 60.12 C ATOM 407 NZ LYS A 24 9.718 -8.286 11.713 1.00 73.32 N ATOM 0 H LYS A 24 5.184 -7.672 11.373 1.00 14.32 H new ATOM 0 HA LYS A 24 4.512 -8.148 14.082 1.00 61.12 H new ATOM 0 HB2 LYS A 24 6.017 -5.831 12.760 1.00 21.34 H new ATOM 0 HB3 LYS A 24 6.037 -6.188 14.476 1.00 21.34 H new ATOM 0 HG2 LYS A 24 7.124 -8.394 14.004 1.00 22.12 H new ATOM 0 HG3 LYS A 24 7.101 -8.040 12.288 1.00 22.12 H new ATOM 0 HD2 LYS A 24 8.551 -6.008 12.721 1.00 23.21 H new ATOM 0 HD3 LYS A 24 8.623 -6.449 14.415 1.00 23.21 H new ATOM 0 HE2 LYS A 24 10.648 -7.246 13.306 1.00 60.12 H new ATOM 0 HE3 LYS A 24 9.692 -8.628 13.803 1.00 60.12 H new ATOM 0 HZ1 LYS A 24 9.666 -9.325 11.717 1.00 73.32 H new ATOM 0 HZ2 LYS A 24 8.896 -7.900 11.206 1.00 73.32 H new ATOM 0 HZ3 LYS A 24 10.592 -7.985 11.236 1.00 73.32 H new ATOM 421 N ALA A 25 2.966 -5.656 12.616 1.00 62.24 N ATOM 422 CA ALA A 25 1.919 -4.623 12.689 1.00 54.51 C ATOM 423 C ALA A 25 0.494 -5.206 12.515 1.00 54.35 C ATOM 424 O ALA A 25 -0.490 -4.504 12.783 1.00 12.22 O ATOM 425 CB ALA A 25 2.224 -3.576 11.610 1.00 34.20 C ATOM 0 H ALA A 25 3.300 -5.818 11.666 1.00 62.24 H new ATOM 0 HA ALA A 25 1.930 -4.170 13.680 1.00 54.51 H new ATOM 0 HB1 ALA A 25 1.465 -2.794 11.637 1.00 34.20 H new ATOM 0 HB2 ALA A 25 3.204 -3.137 11.796 1.00 34.20 H new ATOM 0 HB3 ALA A 25 2.220 -4.052 10.629 1.00 34.20 H new ATOM 431 N ASN A 26 0.411 -6.473 12.048 1.00 43.34 N ATOM 432 CA ASN A 26 -0.865 -7.222 11.832 1.00 4.11 C ATOM 433 C ASN A 26 -1.730 -6.559 10.713 1.00 54.35 C ATOM 434 O ASN A 26 -2.970 -6.619 10.719 1.00 23.24 O ATOM 435 CB ASN A 26 -1.627 -7.392 13.198 1.00 22.44 C ATOM 436 CG ASN A 26 -2.803 -8.384 13.175 1.00 2.31 C ATOM 437 OD1 ASN A 26 -2.825 -9.327 12.384 1.00 74.14 O ATOM 438 ND2 ASN A 26 -3.783 -8.181 14.048 1.00 20.14 N ATOM 0 H ASN A 26 1.237 -7.019 11.805 1.00 43.34 H new ATOM 0 HA ASN A 26 -0.638 -8.224 11.469 1.00 4.11 H new ATOM 0 HB2 ASN A 26 -0.914 -7.717 13.955 1.00 22.44 H new ATOM 0 HB3 ASN A 26 -2.001 -6.417 13.510 1.00 22.44 H new ATOM 0 HD21 ASN A 26 -4.581 -8.815 14.075 1.00 20.14 H new ATOM 0 HD22 ASN A 26 -3.737 -7.391 14.691 1.00 20.14 H new ATOM 445 N LEU A 27 -1.044 -5.949 9.725 1.00 73.21 N ATOM 446 CA LEU A 27 -1.685 -5.266 8.577 1.00 3.50 C ATOM 447 C LEU A 27 -1.696 -6.191 7.339 1.00 13.44 C ATOM 448 O LEU A 27 -0.705 -6.880 7.072 1.00 44.25 O ATOM 449 CB LEU A 27 -0.919 -3.954 8.241 1.00 13.13 C ATOM 450 CG LEU A 27 -0.643 -2.993 9.437 1.00 53.14 C ATOM 451 CD1 LEU A 27 0.138 -1.739 8.988 1.00 54.31 C ATOM 452 CD2 LEU A 27 -1.936 -2.620 10.188 1.00 64.43 C ATOM 0 H LEU A 27 -0.025 -5.915 9.699 1.00 73.21 H new ATOM 0 HA LEU A 27 -2.713 -5.024 8.848 1.00 3.50 H new ATOM 0 HB2 LEU A 27 0.036 -4.221 7.789 1.00 13.13 H new ATOM 0 HB3 LEU A 27 -1.487 -3.409 7.487 1.00 13.13 H new ATOM 0 HG LEU A 27 -0.012 -3.534 10.142 1.00 53.14 H new ATOM 0 HD11 LEU A 27 0.312 -1.092 9.848 1.00 54.31 H new ATOM 0 HD12 LEU A 27 1.094 -2.040 8.560 1.00 54.31 H new ATOM 0 HD13 LEU A 27 -0.441 -1.199 8.239 1.00 54.31 H new ATOM 0 HD21 LEU A 27 -1.697 -1.949 11.013 1.00 64.43 H new ATOM 0 HD22 LEU A 27 -2.624 -2.123 9.504 1.00 64.43 H new ATOM 0 HD23 LEU A 27 -2.403 -3.524 10.579 1.00 64.43 H new ATOM 464 N GLU A 28 -2.803 -6.172 6.573 1.00 34.24 N ATOM 465 CA GLU A 28 -2.955 -7.005 5.365 1.00 15.31 C ATOM 466 C GLU A 28 -2.237 -6.349 4.177 1.00 23.33 C ATOM 467 O GLU A 28 -2.737 -5.382 3.596 1.00 40.22 O ATOM 468 CB GLU A 28 -4.457 -7.226 5.042 1.00 22.14 C ATOM 469 CG GLU A 28 -5.212 -8.109 6.051 1.00 1.12 C ATOM 470 CD GLU A 28 -4.724 -9.568 6.053 1.00 11.52 C ATOM 471 OE1 GLU A 28 -5.240 -10.377 5.249 1.00 41.11 O ATOM 472 OE2 GLU A 28 -3.818 -9.906 6.841 1.00 65.32 O ATOM 0 H GLU A 28 -3.612 -5.583 6.772 1.00 34.24 H new ATOM 0 HA GLU A 28 -2.500 -7.978 5.552 1.00 15.31 H new ATOM 0 HB2 GLU A 28 -4.950 -6.255 4.991 1.00 22.14 H new ATOM 0 HB3 GLU A 28 -4.539 -7.678 4.053 1.00 22.14 H new ATOM 0 HG2 GLU A 28 -5.095 -7.691 7.051 1.00 1.12 H new ATOM 0 HG3 GLU A 28 -6.277 -8.088 5.819 1.00 1.12 H new ATOM 479 N LEU A 29 -1.072 -6.898 3.823 1.00 61.54 N ATOM 480 CA LEU A 29 -0.218 -6.358 2.763 1.00 60.41 C ATOM 481 C LEU A 29 -0.475 -7.165 1.488 1.00 25.21 C ATOM 482 O LEU A 29 -0.266 -8.383 1.467 1.00 41.53 O ATOM 483 CB LEU A 29 1.274 -6.401 3.210 1.00 62.21 C ATOM 484 CG LEU A 29 2.336 -5.802 2.208 1.00 43.14 C ATOM 485 CD1 LEU A 29 3.515 -5.158 2.962 1.00 1.24 C ATOM 486 CD2 LEU A 29 2.866 -6.862 1.209 1.00 74.24 C ATOM 0 H LEU A 29 -0.693 -7.735 4.267 1.00 61.54 H new ATOM 0 HA LEU A 29 -0.452 -5.313 2.562 1.00 60.41 H new ATOM 0 HB2 LEU A 29 1.360 -5.866 4.156 1.00 62.21 H new ATOM 0 HB3 LEU A 29 1.540 -7.440 3.406 1.00 62.21 H new ATOM 0 HG LEU A 29 1.818 -5.032 1.636 1.00 43.14 H new ATOM 0 HD11 LEU A 29 4.229 -4.755 2.244 1.00 1.24 H new ATOM 0 HD12 LEU A 29 3.145 -4.353 3.597 1.00 1.24 H new ATOM 0 HD13 LEU A 29 4.006 -5.910 3.579 1.00 1.24 H new ATOM 0 HD21 LEU A 29 3.594 -6.401 0.541 1.00 74.24 H new ATOM 0 HD22 LEU A 29 3.342 -7.674 1.759 1.00 74.24 H new ATOM 0 HD23 LEU A 29 2.036 -7.257 0.624 1.00 74.24 H new ATOM 498 N ARG A 30 -0.938 -6.484 0.438 1.00 11.32 N ATOM 499 CA ARG A 30 -1.204 -7.092 -0.867 1.00 2.21 C ATOM 500 C ARG A 30 -0.079 -6.664 -1.819 1.00 62.12 C ATOM 501 O ARG A 30 0.185 -5.454 -1.955 1.00 55.13 O ATOM 502 CB ARG A 30 -2.568 -6.617 -1.430 1.00 54.13 C ATOM 503 CG ARG A 30 -3.789 -6.739 -0.489 1.00 64.54 C ATOM 504 CD ARG A 30 -4.140 -8.184 -0.097 1.00 41.22 C ATOM 505 NE ARG A 30 -5.489 -8.252 0.516 1.00 62.31 N ATOM 506 CZ ARG A 30 -5.805 -8.830 1.687 1.00 50.44 C ATOM 507 NH1 ARG A 30 -4.874 -9.427 2.430 1.00 31.44 N ATOM 508 NH2 ARG A 30 -7.072 -8.828 2.084 1.00 12.41 N ATOM 0 H ARG A 30 -1.141 -5.485 0.470 1.00 11.32 H new ATOM 0 HA ARG A 30 -1.242 -8.177 -0.767 1.00 2.21 H new ATOM 0 HB2 ARG A 30 -2.469 -5.572 -1.725 1.00 54.13 H new ATOM 0 HB3 ARG A 30 -2.779 -7.185 -2.336 1.00 54.13 H new ATOM 0 HG2 ARG A 30 -3.594 -6.166 0.417 1.00 64.54 H new ATOM 0 HG3 ARG A 30 -4.654 -6.285 -0.973 1.00 64.54 H new ATOM 0 HD2 ARG A 30 -4.104 -8.824 -0.979 1.00 41.22 H new ATOM 0 HD3 ARG A 30 -3.398 -8.566 0.604 1.00 41.22 H new ATOM 0 HE ARG A 30 -6.252 -7.817 -0.003 1.00 62.31 H new ATOM 0 HH11 ARG A 30 -3.905 -9.450 2.112 1.00 31.44 H new ATOM 0 HH12 ARG A 30 -5.130 -9.861 3.317 1.00 31.44 H new ATOM 0 HH21 ARG A 30 -7.788 -8.392 1.503 1.00 12.41 H new ATOM 0 HH22 ARG A 30 -7.329 -9.262 2.970 1.00 12.41 H new ATOM 522 N THR A 31 0.587 -7.630 -2.467 1.00 13.54 N ATOM 523 CA THR A 31 1.676 -7.335 -3.398 1.00 31.53 C ATOM 524 C THR A 31 1.094 -7.010 -4.787 1.00 64.24 C ATOM 525 O THR A 31 0.533 -7.884 -5.460 1.00 12.41 O ATOM 526 CB THR A 31 2.679 -8.532 -3.473 1.00 64.13 C ATOM 527 OG1 THR A 31 1.979 -9.746 -3.803 1.00 63.44 O ATOM 528 CG2 THR A 31 3.414 -8.731 -2.138 1.00 54.53 C ATOM 0 H THR A 31 0.387 -8.624 -2.360 1.00 13.54 H new ATOM 0 HA THR A 31 2.228 -6.467 -3.039 1.00 31.53 H new ATOM 0 HB THR A 31 3.410 -8.299 -4.247 1.00 64.13 H new ATOM 0 HG1 THR A 31 1.292 -9.555 -4.476 1.00 63.44 H new ATOM 0 HG21 THR A 31 4.104 -9.571 -2.224 1.00 54.53 H new ATOM 0 HG22 THR A 31 3.972 -7.827 -1.891 1.00 54.53 H new ATOM 0 HG23 THR A 31 2.689 -8.936 -1.350 1.00 54.53 H new ATOM 536 N VAL A 32 1.223 -5.741 -5.189 1.00 42.03 N ATOM 537 CA VAL A 32 0.704 -5.231 -6.462 1.00 52.44 C ATOM 538 C VAL A 32 1.788 -5.378 -7.544 1.00 3.34 C ATOM 539 O VAL A 32 2.967 -5.101 -7.289 1.00 24.21 O ATOM 540 CB VAL A 32 0.287 -3.720 -6.341 1.00 15.12 C ATOM 541 CG1 VAL A 32 -0.342 -3.199 -7.652 1.00 64.40 C ATOM 542 CG2 VAL A 32 -0.644 -3.487 -5.125 1.00 12.34 C ATOM 0 H VAL A 32 1.697 -5.030 -4.632 1.00 42.03 H new ATOM 0 HA VAL A 32 -0.180 -5.808 -6.732 1.00 52.44 H new ATOM 0 HB VAL A 32 1.195 -3.142 -6.169 1.00 15.12 H new ATOM 0 HG11 VAL A 32 -0.618 -2.151 -7.532 1.00 64.40 H new ATOM 0 HG12 VAL A 32 0.379 -3.293 -8.464 1.00 64.40 H new ATOM 0 HG13 VAL A 32 -1.231 -3.784 -7.886 1.00 64.40 H new ATOM 0 HG21 VAL A 32 -0.914 -2.432 -5.070 1.00 12.34 H new ATOM 0 HG22 VAL A 32 -1.547 -4.087 -5.238 1.00 12.34 H new ATOM 0 HG23 VAL A 32 -0.127 -3.777 -4.210 1.00 12.34 H new ATOM 552 N LYS A 33 1.372 -5.822 -8.735 1.00 43.03 N ATOM 553 CA LYS A 33 2.253 -5.993 -9.896 1.00 35.23 C ATOM 554 C LYS A 33 2.007 -4.834 -10.876 1.00 41.21 C ATOM 555 O LYS A 33 2.895 -4.022 -11.138 1.00 32.13 O ATOM 556 CB LYS A 33 1.951 -7.367 -10.563 1.00 10.43 C ATOM 557 CG LYS A 33 2.020 -8.561 -9.584 1.00 0.32 C ATOM 558 CD LYS A 33 1.562 -9.888 -10.225 1.00 3.14 C ATOM 559 CE LYS A 33 1.570 -11.059 -9.226 1.00 63.32 C ATOM 560 NZ LYS A 33 1.131 -12.335 -9.860 1.00 33.04 N ATOM 0 H LYS A 33 0.402 -6.076 -8.922 1.00 43.03 H new ATOM 0 HA LYS A 33 3.300 -5.980 -9.595 1.00 35.23 H new ATOM 0 HB2 LYS A 33 0.958 -7.333 -11.011 1.00 10.43 H new ATOM 0 HB3 LYS A 33 2.661 -7.531 -11.373 1.00 10.43 H new ATOM 0 HG2 LYS A 33 3.043 -8.671 -9.224 1.00 0.32 H new ATOM 0 HG3 LYS A 33 1.397 -8.349 -8.715 1.00 0.32 H new ATOM 0 HD2 LYS A 33 0.557 -9.765 -10.628 1.00 3.14 H new ATOM 0 HD3 LYS A 33 2.215 -10.127 -11.065 1.00 3.14 H new ATOM 0 HE2 LYS A 33 2.574 -11.182 -8.820 1.00 63.32 H new ATOM 0 HE3 LYS A 33 0.913 -10.825 -8.388 1.00 63.32 H new ATOM 0 HZ1 LYS A 33 1.151 -13.098 -9.154 1.00 33.04 H new ATOM 0 HZ2 LYS A 33 0.163 -12.226 -10.225 1.00 33.04 H new ATOM 0 HZ3 LYS A 33 1.772 -12.572 -10.644 1.00 33.04 H new ATOM 574 N THR A 34 0.767 -4.762 -11.387 1.00 61.41 N ATOM 575 CA THR A 34 0.342 -3.756 -12.378 1.00 32.33 C ATOM 576 C THR A 34 -0.821 -2.909 -11.811 1.00 2.00 C ATOM 577 O THR A 34 -1.306 -3.181 -10.701 1.00 64.41 O ATOM 578 CB THR A 34 -0.104 -4.464 -13.698 1.00 54.43 C ATOM 579 OG1 THR A 34 -1.196 -5.368 -13.425 1.00 41.53 O ATOM 580 CG2 THR A 34 1.050 -5.246 -14.357 1.00 35.12 C ATOM 0 H THR A 34 0.023 -5.407 -11.122 1.00 61.41 H new ATOM 0 HA THR A 34 1.182 -3.097 -12.596 1.00 32.33 H new ATOM 0 HB THR A 34 -0.421 -3.686 -14.392 1.00 54.43 H new ATOM 0 HG1 THR A 34 -1.472 -5.808 -14.256 1.00 41.53 H new ATOM 0 HG21 THR A 34 0.693 -5.721 -15.271 1.00 35.12 H new ATOM 0 HG22 THR A 34 1.863 -4.561 -14.598 1.00 35.12 H new ATOM 0 HG23 THR A 34 1.412 -6.010 -13.669 1.00 35.12 H new ATOM 588 N GLU A 35 -1.282 -1.893 -12.577 1.00 50.10 N ATOM 589 CA GLU A 35 -2.380 -1.006 -12.132 1.00 5.02 C ATOM 590 C GLU A 35 -3.703 -1.780 -11.962 1.00 25.44 C ATOM 591 O GLU A 35 -4.522 -1.424 -11.113 1.00 41.41 O ATOM 592 CB GLU A 35 -2.568 0.193 -13.098 1.00 74.13 C ATOM 593 CG GLU A 35 -3.049 -0.175 -14.513 1.00 12.21 C ATOM 594 CD GLU A 35 -3.336 1.051 -15.387 1.00 20.42 C ATOM 595 OE1 GLU A 35 -4.379 1.708 -15.170 1.00 4.42 O ATOM 596 OE2 GLU A 35 -2.527 1.365 -16.291 1.00 35.12 O ATOM 0 H GLU A 35 -0.913 -1.669 -13.501 1.00 50.10 H new ATOM 0 HA GLU A 35 -2.095 -0.612 -11.156 1.00 5.02 H new ATOM 0 HB2 GLU A 35 -3.285 0.886 -12.657 1.00 74.13 H new ATOM 0 HB3 GLU A 35 -1.620 0.725 -13.181 1.00 74.13 H new ATOM 0 HG2 GLU A 35 -2.293 -0.791 -14.999 1.00 12.21 H new ATOM 0 HG3 GLU A 35 -3.953 -0.780 -14.438 1.00 12.21 H new ATOM 603 N ASP A 36 -3.884 -2.861 -12.751 1.00 63.51 N ATOM 604 CA ASP A 36 -5.074 -3.729 -12.656 1.00 73.34 C ATOM 605 C ASP A 36 -5.062 -4.553 -11.356 1.00 33.14 C ATOM 606 O ASP A 36 -6.127 -4.843 -10.801 1.00 50.31 O ATOM 607 CB ASP A 36 -5.211 -4.656 -13.898 1.00 61.33 C ATOM 608 CG ASP A 36 -5.868 -3.964 -15.113 1.00 53.32 C ATOM 609 OD1 ASP A 36 -7.068 -3.623 -15.031 1.00 21.45 O ATOM 610 OD2 ASP A 36 -5.209 -3.786 -16.160 1.00 24.12 O ATOM 0 H ASP A 36 -3.216 -3.153 -13.464 1.00 63.51 H new ATOM 0 HA ASP A 36 -5.947 -3.076 -12.634 1.00 73.34 H new ATOM 0 HB2 ASP A 36 -4.222 -5.015 -14.185 1.00 61.33 H new ATOM 0 HB3 ASP A 36 -5.801 -5.531 -13.625 1.00 61.33 H new ATOM 615 N GLU A 37 -3.861 -4.909 -10.859 1.00 51.45 N ATOM 616 CA GLU A 37 -3.724 -5.575 -9.548 1.00 65.00 C ATOM 617 C GLU A 37 -4.140 -4.605 -8.424 1.00 44.42 C ATOM 618 O GLU A 37 -4.859 -4.988 -7.502 1.00 52.44 O ATOM 619 CB GLU A 37 -2.277 -6.075 -9.313 1.00 51.40 C ATOM 620 CG GLU A 37 -1.798 -7.160 -10.292 1.00 23.32 C ATOM 621 CD GLU A 37 -2.575 -8.490 -10.192 1.00 42.42 C ATOM 622 OE1 GLU A 37 -2.504 -9.157 -9.136 1.00 40.44 O ATOM 623 OE2 GLU A 37 -3.232 -8.892 -11.181 1.00 34.22 O ATOM 0 H GLU A 37 -2.977 -4.748 -11.342 1.00 51.45 H new ATOM 0 HA GLU A 37 -4.381 -6.445 -9.540 1.00 65.00 H new ATOM 0 HB2 GLU A 37 -1.599 -5.224 -9.378 1.00 51.40 H new ATOM 0 HB3 GLU A 37 -2.204 -6.465 -8.298 1.00 51.40 H new ATOM 0 HG2 GLU A 37 -1.883 -6.778 -11.310 1.00 23.32 H new ATOM 0 HG3 GLU A 37 -0.741 -7.355 -10.112 1.00 23.32 H new ATOM 630 N LEU A 38 -3.710 -3.337 -8.560 1.00 35.24 N ATOM 631 CA LEU A 38 -4.032 -2.250 -7.610 1.00 74.33 C ATOM 632 C LEU A 38 -5.571 -2.074 -7.544 1.00 21.21 C ATOM 633 O LEU A 38 -6.164 -2.034 -6.455 1.00 1.13 O ATOM 634 CB LEU A 38 -3.291 -0.937 -8.066 1.00 60.52 C ATOM 635 CG LEU A 38 -3.145 0.252 -7.039 1.00 0.43 C ATOM 636 CD1 LEU A 38 -4.443 1.069 -6.865 1.00 70.53 C ATOM 637 CD2 LEU A 38 -2.613 -0.244 -5.674 1.00 11.04 C ATOM 0 H LEU A 38 -3.124 -3.033 -9.338 1.00 35.24 H new ATOM 0 HA LEU A 38 -3.688 -2.490 -6.604 1.00 74.33 H new ATOM 0 HB2 LEU A 38 -2.289 -1.219 -8.388 1.00 60.52 H new ATOM 0 HB3 LEU A 38 -3.811 -0.553 -8.943 1.00 60.52 H new ATOM 0 HG LEU A 38 -2.409 0.932 -7.469 1.00 0.43 H new ATOM 0 HD11 LEU A 38 -4.275 1.871 -6.146 1.00 70.53 H new ATOM 0 HD12 LEU A 38 -4.735 1.497 -7.824 1.00 70.53 H new ATOM 0 HD13 LEU A 38 -5.237 0.417 -6.502 1.00 70.53 H new ATOM 0 HD21 LEU A 38 -2.524 0.600 -4.990 1.00 11.04 H new ATOM 0 HD22 LEU A 38 -3.305 -0.977 -5.258 1.00 11.04 H new ATOM 0 HD23 LEU A 38 -1.635 -0.705 -5.811 1.00 11.04 H new ATOM 649 N LYS A 39 -6.194 -2.061 -8.737 1.00 40.14 N ATOM 650 CA LYS A 39 -7.653 -1.935 -8.911 1.00 10.33 C ATOM 651 C LYS A 39 -8.411 -3.108 -8.257 1.00 63.12 C ATOM 652 O LYS A 39 -9.391 -2.882 -7.557 1.00 3.10 O ATOM 653 CB LYS A 39 -7.999 -1.862 -10.426 1.00 31.32 C ATOM 654 CG LYS A 39 -7.571 -0.545 -11.119 1.00 62.20 C ATOM 655 CD LYS A 39 -7.559 -0.650 -12.666 1.00 70.31 C ATOM 656 CE LYS A 39 -8.939 -0.965 -13.267 1.00 70.31 C ATOM 657 NZ LYS A 39 -8.859 -1.206 -14.737 1.00 35.43 N ATOM 0 H LYS A 39 -5.690 -2.139 -9.620 1.00 40.14 H new ATOM 0 HA LYS A 39 -7.969 -1.017 -8.415 1.00 10.33 H new ATOM 0 HB2 LYS A 39 -7.521 -2.698 -10.936 1.00 31.32 H new ATOM 0 HB3 LYS A 39 -9.075 -1.988 -10.547 1.00 31.32 H new ATOM 0 HG2 LYS A 39 -8.250 0.254 -10.820 1.00 62.20 H new ATOM 0 HG3 LYS A 39 -6.577 -0.265 -10.772 1.00 62.20 H new ATOM 0 HD2 LYS A 39 -7.195 0.289 -13.084 1.00 70.31 H new ATOM 0 HD3 LYS A 39 -6.855 -1.427 -12.965 1.00 70.31 H new ATOM 0 HE2 LYS A 39 -9.357 -1.844 -12.776 1.00 70.31 H new ATOM 0 HE3 LYS A 39 -9.619 -0.136 -13.071 1.00 70.31 H new ATOM 0 HZ1 LYS A 39 -9.813 -1.382 -15.112 1.00 35.43 H new ATOM 0 HZ2 LYS A 39 -8.451 -0.371 -15.204 1.00 35.43 H new ATOM 0 HZ3 LYS A 39 -8.257 -2.034 -14.921 1.00 35.43 H new ATOM 671 N LYS A 40 -7.946 -4.357 -8.488 1.00 3.43 N ATOM 672 CA LYS A 40 -8.657 -5.571 -8.011 1.00 2.23 C ATOM 673 C LYS A 40 -8.603 -5.693 -6.479 1.00 0.53 C ATOM 674 O LYS A 40 -9.536 -6.219 -5.857 1.00 11.14 O ATOM 675 CB LYS A 40 -8.155 -6.873 -8.704 1.00 44.14 C ATOM 676 CG LYS A 40 -6.761 -7.376 -8.274 1.00 31.40 C ATOM 677 CD LYS A 40 -6.312 -8.644 -9.042 1.00 2.42 C ATOM 678 CE LYS A 40 -7.278 -9.826 -8.872 1.00 41.23 C ATOM 679 NZ LYS A 40 -7.391 -10.262 -7.457 1.00 74.33 N ATOM 0 H LYS A 40 -7.085 -4.553 -8.999 1.00 3.43 H new ATOM 0 HA LYS A 40 -9.701 -5.449 -8.299 1.00 2.23 H new ATOM 0 HB2 LYS A 40 -8.879 -7.665 -8.513 1.00 44.14 H new ATOM 0 HB3 LYS A 40 -8.142 -6.706 -9.781 1.00 44.14 H new ATOM 0 HG2 LYS A 40 -6.030 -6.583 -8.433 1.00 31.40 H new ATOM 0 HG3 LYS A 40 -6.772 -7.590 -7.205 1.00 31.40 H new ATOM 0 HD2 LYS A 40 -6.221 -8.406 -10.102 1.00 2.42 H new ATOM 0 HD3 LYS A 40 -5.322 -8.939 -8.696 1.00 2.42 H new ATOM 0 HE2 LYS A 40 -8.263 -9.543 -9.243 1.00 41.23 H new ATOM 0 HE3 LYS A 40 -6.936 -10.662 -9.481 1.00 41.23 H new ATOM 0 HZ1 LYS A 40 -8.027 -11.083 -7.396 1.00 74.33 H new ATOM 0 HZ2 LYS A 40 -6.451 -10.525 -7.099 1.00 74.33 H new ATOM 0 HZ3 LYS A 40 -7.775 -9.484 -6.884 1.00 74.33 H new ATOM 693 N TYR A 41 -7.515 -5.199 -5.873 1.00 13.45 N ATOM 694 CA TYR A 41 -7.398 -5.135 -4.403 1.00 45.41 C ATOM 695 C TYR A 41 -8.391 -4.105 -3.835 1.00 41.04 C ATOM 696 O TYR A 41 -9.017 -4.340 -2.794 1.00 63.42 O ATOM 697 CB TYR A 41 -5.944 -4.822 -3.976 1.00 41.30 C ATOM 698 CG TYR A 41 -4.936 -5.920 -4.365 1.00 4.45 C ATOM 699 CD1 TYR A 41 -5.274 -7.277 -4.281 1.00 51.42 C ATOM 700 CD2 TYR A 41 -3.653 -5.607 -4.814 1.00 4.43 C ATOM 701 CE1 TYR A 41 -4.374 -8.265 -4.631 1.00 53.52 C ATOM 702 CE2 TYR A 41 -2.752 -6.600 -5.165 1.00 70.51 C ATOM 703 CZ TYR A 41 -3.120 -7.925 -5.072 1.00 20.55 C ATOM 704 OH TYR A 41 -2.233 -8.916 -5.424 1.00 71.15 O ATOM 0 H TYR A 41 -6.703 -4.838 -6.373 1.00 13.45 H new ATOM 0 HA TYR A 41 -7.652 -6.111 -3.989 1.00 45.41 H new ATOM 0 HB2 TYR A 41 -5.636 -3.880 -4.430 1.00 41.30 H new ATOM 0 HB3 TYR A 41 -5.914 -4.680 -2.896 1.00 41.30 H new ATOM 0 HD1 TYR A 41 -6.258 -7.556 -3.936 1.00 51.42 H new ATOM 0 HD2 TYR A 41 -3.356 -4.571 -4.890 1.00 4.43 H new ATOM 0 HE1 TYR A 41 -4.657 -9.305 -4.558 1.00 53.52 H new ATOM 0 HE2 TYR A 41 -1.763 -6.336 -5.511 1.00 70.51 H new ATOM 0 HH TYR A 41 -1.323 -8.553 -5.431 1.00 71.15 H new ATOM 714 N LEU A 42 -8.549 -2.978 -4.553 1.00 1.40 N ATOM 715 CA LEU A 42 -9.552 -1.950 -4.216 1.00 51.43 C ATOM 716 C LEU A 42 -11.007 -2.478 -4.398 1.00 73.13 C ATOM 717 O LEU A 42 -11.879 -2.119 -3.610 1.00 41.23 O ATOM 718 CB LEU A 42 -9.319 -0.669 -5.058 1.00 70.14 C ATOM 719 CG LEU A 42 -7.965 0.086 -4.841 1.00 72.12 C ATOM 720 CD1 LEU A 42 -7.854 1.300 -5.794 1.00 62.24 C ATOM 721 CD2 LEU A 42 -7.779 0.501 -3.361 1.00 3.43 C ATOM 0 H LEU A 42 -7.990 -2.755 -5.377 1.00 1.40 H new ATOM 0 HA LEU A 42 -9.429 -1.701 -3.162 1.00 51.43 H new ATOM 0 HB2 LEU A 42 -9.392 -0.938 -6.112 1.00 70.14 H new ATOM 0 HB3 LEU A 42 -10.132 0.026 -4.849 1.00 70.14 H new ATOM 0 HG LEU A 42 -7.154 -0.601 -5.084 1.00 72.12 H new ATOM 0 HD11 LEU A 42 -6.905 1.809 -5.625 1.00 62.24 H new ATOM 0 HD12 LEU A 42 -7.903 0.957 -6.827 1.00 62.24 H new ATOM 0 HD13 LEU A 42 -8.676 1.990 -5.601 1.00 62.24 H new ATOM 0 HD21 LEU A 42 -6.829 1.023 -3.246 1.00 3.43 H new ATOM 0 HD22 LEU A 42 -8.594 1.161 -3.063 1.00 3.43 H new ATOM 0 HD23 LEU A 42 -7.783 -0.388 -2.731 1.00 3.43 H new ATOM 733 N GLU A 43 -11.251 -3.336 -5.428 1.00 15.05 N ATOM 734 CA GLU A 43 -12.561 -4.036 -5.638 1.00 54.24 C ATOM 735 C GLU A 43 -12.978 -4.768 -4.344 1.00 71.22 C ATOM 736 O GLU A 43 -14.122 -4.656 -3.872 1.00 63.22 O ATOM 737 CB GLU A 43 -12.459 -5.104 -6.780 1.00 4.44 C ATOM 738 CG GLU A 43 -12.112 -4.589 -8.200 1.00 71.25 C ATOM 739 CD GLU A 43 -13.290 -4.003 -8.991 1.00 54.13 C ATOM 740 OE1 GLU A 43 -14.315 -4.708 -9.155 1.00 32.54 O ATOM 741 OE2 GLU A 43 -13.198 -2.854 -9.478 1.00 44.40 O ATOM 0 H GLU A 43 -10.552 -3.564 -6.135 1.00 15.05 H new ATOM 0 HA GLU A 43 -13.296 -3.279 -5.912 1.00 54.24 H new ATOM 0 HB2 GLU A 43 -11.704 -5.836 -6.492 1.00 4.44 H new ATOM 0 HB3 GLU A 43 -13.411 -5.632 -6.835 1.00 4.44 H new ATOM 0 HG2 GLU A 43 -11.339 -3.826 -8.113 1.00 71.25 H new ATOM 0 HG3 GLU A 43 -11.685 -5.412 -8.773 1.00 71.25 H new ATOM 748 N GLU A 44 -11.992 -5.483 -3.785 1.00 31.41 N ATOM 749 CA GLU A 44 -12.113 -6.237 -2.533 1.00 73.30 C ATOM 750 C GLU A 44 -12.404 -5.298 -1.345 1.00 41.20 C ATOM 751 O GLU A 44 -13.204 -5.618 -0.472 1.00 2.43 O ATOM 752 CB GLU A 44 -10.792 -7.022 -2.306 1.00 71.13 C ATOM 753 CG GLU A 44 -10.698 -7.766 -0.966 1.00 71.11 C ATOM 754 CD GLU A 44 -9.341 -8.460 -0.757 1.00 42.23 C ATOM 755 OE1 GLU A 44 -8.357 -7.774 -0.415 1.00 73.12 O ATOM 756 OE2 GLU A 44 -9.252 -9.689 -0.948 1.00 41.41 O ATOM 0 H GLU A 44 -11.064 -5.554 -4.203 1.00 31.41 H new ATOM 0 HA GLU A 44 -12.950 -6.932 -2.604 1.00 73.30 H new ATOM 0 HB2 GLU A 44 -10.673 -7.744 -3.114 1.00 71.13 H new ATOM 0 HB3 GLU A 44 -9.957 -6.325 -2.376 1.00 71.13 H new ATOM 0 HG2 GLU A 44 -10.868 -7.061 -0.153 1.00 71.11 H new ATOM 0 HG3 GLU A 44 -11.492 -8.511 -0.914 1.00 71.11 H new ATOM 763 N PHE A 45 -11.732 -4.140 -1.318 1.00 4.02 N ATOM 764 CA PHE A 45 -11.875 -3.163 -0.215 1.00 64.55 C ATOM 765 C PHE A 45 -13.195 -2.355 -0.268 1.00 21.03 C ATOM 766 O PHE A 45 -13.575 -1.758 0.743 1.00 3.41 O ATOM 767 CB PHE A 45 -10.663 -2.199 -0.189 1.00 74.20 C ATOM 768 CG PHE A 45 -9.294 -2.865 0.002 1.00 72.31 C ATOM 769 CD1 PHE A 45 -9.164 -4.141 0.572 1.00 23.53 C ATOM 770 CD2 PHE A 45 -8.133 -2.217 -0.415 1.00 31.25 C ATOM 771 CE1 PHE A 45 -7.922 -4.730 0.719 1.00 31.13 C ATOM 772 CE2 PHE A 45 -6.896 -2.812 -0.265 1.00 4.21 C ATOM 773 CZ PHE A 45 -6.791 -4.069 0.297 1.00 62.22 C ATOM 0 H PHE A 45 -11.080 -3.850 -2.047 1.00 4.02 H new ATOM 0 HA PHE A 45 -11.907 -3.747 0.705 1.00 64.55 H new ATOM 0 HB2 PHE A 45 -10.647 -1.637 -1.123 1.00 74.20 H new ATOM 0 HB3 PHE A 45 -10.812 -1.477 0.614 1.00 74.20 H new ATOM 0 HD1 PHE A 45 -10.046 -4.670 0.900 1.00 23.53 H new ATOM 0 HD2 PHE A 45 -8.202 -1.236 -0.862 1.00 31.25 H new ATOM 0 HE1 PHE A 45 -7.839 -5.710 1.165 1.00 31.13 H new ATOM 0 HE2 PHE A 45 -6.007 -2.292 -0.589 1.00 4.21 H new ATOM 0 HZ PHE A 45 -5.822 -4.533 0.405 1.00 62.22 H new ATOM 783 N ARG A 46 -13.878 -2.316 -1.432 1.00 11.42 N ATOM 784 CA ARG A 46 -15.141 -1.545 -1.579 1.00 33.40 C ATOM 785 C ARG A 46 -16.308 -2.219 -0.838 1.00 73.21 C ATOM 786 O ARG A 46 -17.131 -1.530 -0.225 1.00 22.05 O ATOM 787 CB ARG A 46 -15.544 -1.348 -3.054 1.00 10.31 C ATOM 788 CG ARG A 46 -14.584 -0.505 -3.909 1.00 43.12 C ATOM 789 CD ARG A 46 -15.154 -0.252 -5.316 1.00 11.10 C ATOM 790 NE ARG A 46 -15.664 -1.491 -5.940 1.00 54.11 N ATOM 791 CZ ARG A 46 -15.541 -1.823 -7.229 1.00 41.02 C ATOM 792 NH1 ARG A 46 -14.916 -1.026 -8.095 1.00 3.33 N ATOM 793 NH2 ARG A 46 -16.048 -2.977 -7.641 1.00 72.11 N ATOM 0 H ARG A 46 -13.584 -2.803 -2.279 1.00 11.42 H new ATOM 0 HA ARG A 46 -14.940 -0.569 -1.136 1.00 33.40 H new ATOM 0 HB2 ARG A 46 -15.644 -2.330 -3.517 1.00 10.31 H new ATOM 0 HB3 ARG A 46 -16.529 -0.881 -3.082 1.00 10.31 H new ATOM 0 HG2 ARG A 46 -14.397 0.448 -3.415 1.00 43.12 H new ATOM 0 HG3 ARG A 46 -13.624 -1.016 -3.991 1.00 43.12 H new ATOM 0 HD2 ARG A 46 -15.959 0.480 -5.254 1.00 11.10 H new ATOM 0 HD3 ARG A 46 -14.378 0.179 -5.949 1.00 11.10 H new ATOM 0 HE ARG A 46 -16.152 -2.150 -5.334 1.00 54.11 H new ATOM 0 HH11 ARG A 46 -14.519 -0.141 -7.779 1.00 3.33 H new ATOM 0 HH12 ARG A 46 -14.835 -1.301 -9.074 1.00 3.33 H new ATOM 0 HH21 ARG A 46 -16.521 -3.592 -6.979 1.00 72.11 H new ATOM 0 HH22 ARG A 46 -15.965 -3.250 -8.620 1.00 72.11 H new ATOM 807 N LYS A 47 -16.368 -3.568 -0.891 1.00 11.30 N ATOM 808 CA LYS A 47 -17.450 -4.358 -0.235 1.00 62.42 C ATOM 809 C LYS A 47 -17.446 -4.133 1.296 1.00 75.43 C ATOM 810 O LYS A 47 -18.450 -4.356 1.973 1.00 11.24 O ATOM 811 CB LYS A 47 -17.307 -5.883 -0.546 1.00 32.05 C ATOM 812 CG LYS A 47 -16.101 -6.561 0.139 1.00 13.44 C ATOM 813 CD LYS A 47 -15.953 -8.066 -0.191 1.00 15.22 C ATOM 814 CE LYS A 47 -14.684 -8.675 0.444 1.00 50.13 C ATOM 815 NZ LYS A 47 -14.561 -10.136 0.173 1.00 31.21 N ATOM 0 H LYS A 47 -15.680 -4.140 -1.381 1.00 11.30 H new ATOM 0 HA LYS A 47 -18.400 -4.010 -0.641 1.00 62.42 H new ATOM 0 HB2 LYS A 47 -18.220 -6.392 -0.236 1.00 32.05 H new ATOM 0 HB3 LYS A 47 -17.219 -6.015 -1.624 1.00 32.05 H new ATOM 0 HG2 LYS A 47 -15.189 -6.043 -0.158 1.00 13.44 H new ATOM 0 HG3 LYS A 47 -16.197 -6.444 1.218 1.00 13.44 H new ATOM 0 HD2 LYS A 47 -16.831 -8.604 0.167 1.00 15.22 H new ATOM 0 HD3 LYS A 47 -15.917 -8.198 -1.272 1.00 15.22 H new ATOM 0 HE2 LYS A 47 -13.804 -8.161 0.057 1.00 50.13 H new ATOM 0 HE3 LYS A 47 -14.703 -8.508 1.521 1.00 50.13 H new ATOM 0 HZ1 LYS A 47 -13.695 -10.500 0.619 1.00 31.21 H new ATOM 0 HZ2 LYS A 47 -15.387 -10.632 0.565 1.00 31.21 H new ATOM 0 HZ3 LYS A 47 -14.516 -10.296 -0.854 1.00 31.21 H new ATOM 829 N GLU A 48 -16.289 -3.677 1.795 1.00 41.43 N ATOM 830 CA GLU A 48 -16.011 -3.446 3.209 1.00 10.22 C ATOM 831 C GLU A 48 -15.387 -2.045 3.389 1.00 72.21 C ATOM 832 O GLU A 48 -14.554 -1.832 4.274 1.00 12.01 O ATOM 833 CB GLU A 48 -15.051 -4.564 3.698 1.00 51.41 C ATOM 834 CG GLU A 48 -13.796 -4.729 2.815 1.00 74.22 C ATOM 835 CD GLU A 48 -12.880 -5.869 3.266 1.00 41.34 C ATOM 836 OE1 GLU A 48 -13.225 -7.054 3.046 1.00 43.10 O ATOM 837 OE2 GLU A 48 -11.827 -5.594 3.868 1.00 52.52 O ATOM 0 H GLU A 48 -15.494 -3.452 1.197 1.00 41.43 H new ATOM 0 HA GLU A 48 -16.926 -3.478 3.800 1.00 10.22 H new ATOM 0 HB2 GLU A 48 -14.740 -4.344 4.719 1.00 51.41 H new ATOM 0 HB3 GLU A 48 -15.592 -5.510 3.726 1.00 51.41 H new ATOM 0 HG2 GLU A 48 -14.106 -4.908 1.786 1.00 74.22 H new ATOM 0 HG3 GLU A 48 -13.232 -3.796 2.820 1.00 74.22 H new ATOM 844 N SER A 49 -15.818 -1.082 2.544 1.00 32.43 N ATOM 845 CA SER A 49 -15.359 0.322 2.619 1.00 11.45 C ATOM 846 C SER A 49 -16.077 1.047 3.784 1.00 42.12 C ATOM 847 O SER A 49 -16.969 1.885 3.584 1.00 64.34 O ATOM 848 CB SER A 49 -15.585 1.042 1.265 1.00 3.51 C ATOM 849 OG SER A 49 -14.990 2.336 1.242 1.00 42.34 O ATOM 0 H SER A 49 -16.489 -1.255 1.796 1.00 32.43 H new ATOM 0 HA SER A 49 -14.288 0.341 2.819 1.00 11.45 H new ATOM 0 HB2 SER A 49 -15.169 0.437 0.459 1.00 3.51 H new ATOM 0 HB3 SER A 49 -16.655 1.132 1.076 1.00 3.51 H new ATOM 0 HG SER A 49 -15.154 2.756 0.372 1.00 42.34 H new ATOM 855 N GLN A 50 -15.688 0.649 5.002 1.00 71.51 N ATOM 856 CA GLN A 50 -16.288 1.097 6.265 1.00 14.34 C ATOM 857 C GLN A 50 -15.187 1.097 7.335 1.00 52.12 C ATOM 858 O GLN A 50 -14.623 0.040 7.656 1.00 15.21 O ATOM 859 CB GLN A 50 -17.486 0.172 6.680 1.00 64.21 C ATOM 860 CG GLN A 50 -17.156 -1.338 6.731 1.00 32.52 C ATOM 861 CD GLN A 50 -18.300 -2.203 7.268 1.00 23.01 C ATOM 862 OE1 GLN A 50 -19.137 -2.683 6.515 1.00 40.05 O ATOM 863 NE2 GLN A 50 -18.350 -2.370 8.580 1.00 10.12 N ATOM 0 H GLN A 50 -14.925 -0.013 5.140 1.00 71.51 H new ATOM 0 HA GLN A 50 -16.695 2.102 6.151 1.00 14.34 H new ATOM 0 HB2 GLN A 50 -17.844 0.484 7.661 1.00 64.21 H new ATOM 0 HB3 GLN A 50 -18.305 0.326 5.978 1.00 64.21 H new ATOM 0 HG2 GLN A 50 -16.896 -1.678 5.728 1.00 32.52 H new ATOM 0 HG3 GLN A 50 -16.276 -1.487 7.356 1.00 32.52 H new ATOM 0 HE21 GLN A 50 -17.633 -1.954 9.175 1.00 10.12 H new ATOM 0 HE22 GLN A 50 -19.105 -2.915 8.996 1.00 10.12 H new ATOM 872 N ASN A 51 -14.839 2.301 7.831 1.00 32.20 N ATOM 873 CA ASN A 51 -13.806 2.498 8.883 1.00 54.10 C ATOM 874 C ASN A 51 -12.420 2.014 8.375 1.00 64.35 C ATOM 875 O ASN A 51 -11.514 1.721 9.166 1.00 52.02 O ATOM 876 CB ASN A 51 -14.193 1.760 10.207 1.00 74.23 C ATOM 877 CG ASN A 51 -15.654 1.937 10.628 1.00 65.41 C ATOM 878 OD1 ASN A 51 -16.268 2.967 10.379 1.00 3.14 O ATOM 879 ND2 ASN A 51 -16.227 0.914 11.226 1.00 14.42 N ATOM 0 H ASN A 51 -15.265 3.172 7.515 1.00 32.20 H new ATOM 0 HA ASN A 51 -13.748 3.564 9.102 1.00 54.10 H new ATOM 0 HB2 ASN A 51 -13.989 0.696 10.088 1.00 74.23 H new ATOM 0 HB3 ASN A 51 -13.550 2.120 11.010 1.00 74.23 H new ATOM 0 HD21 ASN A 51 -17.209 0.966 11.496 1.00 14.42 H new ATOM 0 HD22 ASN A 51 -15.689 0.070 11.420 1.00 14.42 H new ATOM 886 N ILE A 52 -12.281 1.944 7.039 1.00 12.31 N ATOM 887 CA ILE A 52 -11.111 1.370 6.376 1.00 50.54 C ATOM 888 C ILE A 52 -10.090 2.471 6.053 1.00 43.12 C ATOM 889 O ILE A 52 -10.449 3.601 5.700 1.00 64.12 O ATOM 890 CB ILE A 52 -11.533 0.573 5.072 1.00 32.04 C ATOM 891 CG1 ILE A 52 -10.336 -0.228 4.466 1.00 72.54 C ATOM 892 CG2 ILE A 52 -12.164 1.500 4.012 1.00 61.04 C ATOM 893 CD1 ILE A 52 -10.713 -1.143 3.311 1.00 12.31 C ATOM 0 H ILE A 52 -12.987 2.289 6.389 1.00 12.31 H new ATOM 0 HA ILE A 52 -10.640 0.659 7.055 1.00 50.54 H new ATOM 0 HB ILE A 52 -12.292 -0.146 5.379 1.00 32.04 H new ATOM 0 HG12 ILE A 52 -9.579 0.477 4.123 1.00 72.54 H new ATOM 0 HG13 ILE A 52 -9.879 -0.827 5.254 1.00 72.54 H new ATOM 0 HG21 ILE A 52 -12.439 0.915 3.134 1.00 61.04 H new ATOM 0 HG22 ILE A 52 -13.054 1.973 4.426 1.00 61.04 H new ATOM 0 HG23 ILE A 52 -11.445 2.268 3.726 1.00 61.04 H new ATOM 0 HD11 ILE A 52 -9.823 -1.660 2.951 1.00 12.31 H new ATOM 0 HD12 ILE A 52 -11.445 -1.875 3.651 1.00 12.31 H new ATOM 0 HD13 ILE A 52 -11.141 -0.551 2.502 1.00 12.31 H new ATOM 905 N LYS A 53 -8.821 2.130 6.215 1.00 55.52 N ATOM 906 CA LYS A 53 -7.680 2.979 5.889 1.00 33.33 C ATOM 907 C LYS A 53 -6.717 2.121 5.070 1.00 42.52 C ATOM 908 O LYS A 53 -6.305 1.046 5.530 1.00 44.33 O ATOM 909 CB LYS A 53 -6.980 3.487 7.184 1.00 62.54 C ATOM 910 CG LYS A 53 -7.789 4.494 8.041 1.00 2.04 C ATOM 911 CD LYS A 53 -7.217 4.650 9.474 1.00 44.44 C ATOM 912 CE LYS A 53 -5.721 5.032 9.512 1.00 60.33 C ATOM 913 NZ LYS A 53 -5.465 6.427 9.062 1.00 40.32 N ATOM 0 H LYS A 53 -8.545 1.223 6.590 1.00 55.52 H new ATOM 0 HA LYS A 53 -8.000 3.858 5.331 1.00 33.33 H new ATOM 0 HB2 LYS A 53 -6.737 2.625 7.805 1.00 62.54 H new ATOM 0 HB3 LYS A 53 -6.036 3.954 6.904 1.00 62.54 H new ATOM 0 HG2 LYS A 53 -7.792 5.466 7.547 1.00 2.04 H new ATOM 0 HG3 LYS A 53 -8.826 4.164 8.101 1.00 2.04 H new ATOM 0 HD2 LYS A 53 -7.790 5.412 10.003 1.00 44.44 H new ATOM 0 HD3 LYS A 53 -7.357 3.714 10.014 1.00 44.44 H new ATOM 0 HE2 LYS A 53 -5.346 4.909 10.528 1.00 60.33 H new ATOM 0 HE3 LYS A 53 -5.160 4.344 8.880 1.00 60.33 H new ATOM 0 HZ1 LYS A 53 -4.701 6.841 9.633 1.00 40.32 H new ATOM 0 HZ2 LYS A 53 -5.185 6.423 8.060 1.00 40.32 H new ATOM 0 HZ3 LYS A 53 -6.330 6.993 9.177 1.00 40.32 H new ATOM 927 N VAL A 54 -6.399 2.560 3.853 1.00 71.22 N ATOM 928 CA VAL A 54 -5.426 1.883 2.980 1.00 53.12 C ATOM 929 C VAL A 54 -4.155 2.748 2.890 1.00 40.32 C ATOM 930 O VAL A 54 -4.246 3.972 2.896 1.00 51.21 O ATOM 931 CB VAL A 54 -6.037 1.611 1.550 1.00 3.55 C ATOM 932 CG1 VAL A 54 -5.025 0.913 0.611 1.00 1.34 C ATOM 933 CG2 VAL A 54 -7.359 0.800 1.659 1.00 71.02 C ATOM 0 H VAL A 54 -6.807 3.398 3.438 1.00 71.22 H new ATOM 0 HA VAL A 54 -5.171 0.912 3.405 1.00 53.12 H new ATOM 0 HB VAL A 54 -6.268 2.578 1.104 1.00 3.55 H new ATOM 0 HG11 VAL A 54 -5.487 0.745 -0.362 1.00 1.34 H new ATOM 0 HG12 VAL A 54 -4.145 1.545 0.490 1.00 1.34 H new ATOM 0 HG13 VAL A 54 -4.729 -0.043 1.042 1.00 1.34 H new ATOM 0 HG21 VAL A 54 -7.762 0.625 0.661 1.00 71.02 H new ATOM 0 HG22 VAL A 54 -7.160 -0.156 2.143 1.00 71.02 H new ATOM 0 HG23 VAL A 54 -8.083 1.362 2.249 1.00 71.02 H new ATOM 943 N LEU A 55 -2.978 2.103 2.883 1.00 51.30 N ATOM 944 CA LEU A 55 -1.677 2.773 2.719 1.00 35.25 C ATOM 945 C LEU A 55 -0.933 2.128 1.540 1.00 31.11 C ATOM 946 O LEU A 55 -0.509 0.974 1.634 1.00 55.40 O ATOM 947 CB LEU A 55 -0.844 2.660 4.028 1.00 33.44 C ATOM 948 CG LEU A 55 0.573 3.317 3.998 1.00 14.10 C ATOM 949 CD1 LEU A 55 0.509 4.848 3.799 1.00 13.25 C ATOM 950 CD2 LEU A 55 1.389 2.936 5.252 1.00 11.34 C ATOM 0 H LEU A 55 -2.901 1.092 2.992 1.00 51.30 H new ATOM 0 HA LEU A 55 -1.829 3.832 2.512 1.00 35.25 H new ATOM 0 HB2 LEU A 55 -1.415 3.113 4.839 1.00 33.44 H new ATOM 0 HB3 LEU A 55 -0.728 1.604 4.271 1.00 33.44 H new ATOM 0 HG LEU A 55 1.093 2.916 3.128 1.00 14.10 H new ATOM 0 HD11 LEU A 55 1.520 5.256 3.785 1.00 13.25 H new ATOM 0 HD12 LEU A 55 0.015 5.072 2.854 1.00 13.25 H new ATOM 0 HD13 LEU A 55 -0.053 5.298 4.617 1.00 13.25 H new ATOM 0 HD21 LEU A 55 2.371 3.407 5.204 1.00 11.34 H new ATOM 0 HD22 LEU A 55 0.865 3.278 6.145 1.00 11.34 H new ATOM 0 HD23 LEU A 55 1.508 1.853 5.294 1.00 11.34 H new ATOM 962 N ILE A 56 -0.786 2.875 0.433 1.00 13.34 N ATOM 963 CA ILE A 56 -0.134 2.382 -0.788 1.00 23.11 C ATOM 964 C ILE A 56 1.319 2.898 -0.830 1.00 33.41 C ATOM 965 O ILE A 56 1.540 4.106 -0.902 1.00 40.43 O ATOM 966 CB ILE A 56 -0.901 2.820 -2.105 1.00 42.02 C ATOM 967 CG1 ILE A 56 -2.412 2.414 -2.035 1.00 60.32 C ATOM 968 CG2 ILE A 56 -0.226 2.211 -3.368 1.00 1.11 C ATOM 969 CD1 ILE A 56 -3.252 2.799 -3.251 1.00 11.33 C ATOM 0 H ILE A 56 -1.116 3.837 0.361 1.00 13.34 H new ATOM 0 HA ILE A 56 -0.151 1.293 -0.757 1.00 23.11 H new ATOM 0 HB ILE A 56 -0.846 3.906 -2.180 1.00 42.02 H new ATOM 0 HG12 ILE A 56 -2.474 1.334 -1.899 1.00 60.32 H new ATOM 0 HG13 ILE A 56 -2.853 2.873 -1.150 1.00 60.32 H new ATOM 0 HG21 ILE A 56 -0.770 2.526 -4.259 1.00 1.11 H new ATOM 0 HG22 ILE A 56 0.806 2.557 -3.432 1.00 1.11 H new ATOM 0 HG23 ILE A 56 -0.240 1.123 -3.299 1.00 1.11 H new ATOM 0 HD11 ILE A 56 -4.281 2.472 -3.101 1.00 11.33 H new ATOM 0 HD12 ILE A 56 -3.230 3.881 -3.381 1.00 11.33 H new ATOM 0 HD13 ILE A 56 -2.845 2.319 -4.141 1.00 11.33 H new ATOM 981 N LEU A 57 2.293 1.970 -0.776 1.00 44.12 N ATOM 982 CA LEU A 57 3.726 2.280 -0.895 1.00 34.33 C ATOM 983 C LEU A 57 4.150 1.915 -2.317 1.00 21.32 C ATOM 984 O LEU A 57 4.171 0.734 -2.676 1.00 42.33 O ATOM 985 CB LEU A 57 4.593 1.472 0.130 1.00 15.52 C ATOM 986 CG LEU A 57 4.429 1.808 1.652 1.00 61.02 C ATOM 987 CD1 LEU A 57 4.571 3.321 1.917 1.00 1.14 C ATOM 988 CD2 LEU A 57 3.116 1.234 2.236 1.00 71.12 C ATOM 0 H LEU A 57 2.103 0.976 -0.647 1.00 44.12 H new ATOM 0 HA LEU A 57 3.883 3.337 -0.681 1.00 34.33 H new ATOM 0 HB2 LEU A 57 4.371 0.413 -0.005 1.00 15.52 H new ATOM 0 HB3 LEU A 57 5.641 1.614 -0.133 1.00 15.52 H new ATOM 0 HG LEU A 57 5.244 1.313 2.180 1.00 61.02 H new ATOM 0 HD11 LEU A 57 4.451 3.517 2.983 1.00 1.14 H new ATOM 0 HD12 LEU A 57 5.557 3.656 1.595 1.00 1.14 H new ATOM 0 HD13 LEU A 57 3.805 3.861 1.361 1.00 1.14 H new ATOM 0 HD21 LEU A 57 3.045 1.491 3.293 1.00 71.12 H new ATOM 0 HD22 LEU A 57 2.265 1.656 1.702 1.00 71.12 H new ATOM 0 HD23 LEU A 57 3.112 0.150 2.126 1.00 71.12 H new ATOM 1000 N VAL A 58 4.478 2.928 -3.113 1.00 44.31 N ATOM 1001 CA VAL A 58 4.904 2.754 -4.506 1.00 43.24 C ATOM 1002 C VAL A 58 6.414 2.988 -4.618 1.00 31.23 C ATOM 1003 O VAL A 58 7.020 3.528 -3.704 1.00 71.44 O ATOM 1004 CB VAL A 58 4.136 3.735 -5.464 1.00 2.01 C ATOM 1005 CG1 VAL A 58 2.610 3.517 -5.387 1.00 51.21 C ATOM 1006 CG2 VAL A 58 4.494 5.201 -5.167 1.00 14.32 C ATOM 0 H VAL A 58 4.457 3.902 -2.811 1.00 44.31 H new ATOM 0 HA VAL A 58 4.669 1.734 -4.810 1.00 43.24 H new ATOM 0 HB VAL A 58 4.455 3.511 -6.482 1.00 2.01 H new ATOM 0 HG11 VAL A 58 2.109 4.211 -6.062 1.00 51.21 H new ATOM 0 HG12 VAL A 58 2.374 2.494 -5.678 1.00 51.21 H new ATOM 0 HG13 VAL A 58 2.268 3.692 -4.367 1.00 51.21 H new ATOM 0 HG21 VAL A 58 3.946 5.854 -5.846 1.00 14.32 H new ATOM 0 HG22 VAL A 58 4.225 5.440 -4.138 1.00 14.32 H new ATOM 0 HG23 VAL A 58 5.565 5.349 -5.306 1.00 14.32 H new ATOM 1016 N SER A 59 7.006 2.563 -5.736 1.00 71.42 N ATOM 1017 CA SER A 59 8.421 2.825 -6.041 1.00 3.33 C ATOM 1018 C SER A 59 8.552 4.043 -6.975 1.00 70.40 C ATOM 1019 O SER A 59 9.445 4.874 -6.805 1.00 32.42 O ATOM 1020 CB SER A 59 9.048 1.561 -6.672 1.00 42.03 C ATOM 1021 OG SER A 59 8.293 1.100 -7.783 1.00 71.02 O ATOM 0 H SER A 59 6.522 2.028 -6.457 1.00 71.42 H new ATOM 0 HA SER A 59 8.958 3.059 -5.122 1.00 3.33 H new ATOM 0 HB2 SER A 59 10.067 1.780 -6.990 1.00 42.03 H new ATOM 0 HB3 SER A 59 9.111 0.773 -5.922 1.00 42.03 H new ATOM 0 HG SER A 59 8.718 0.301 -8.159 1.00 71.02 H new ATOM 1027 N ASN A 60 7.624 4.145 -7.939 1.00 31.52 N ATOM 1028 CA ASN A 60 7.673 5.141 -9.032 1.00 43.03 C ATOM 1029 C ASN A 60 6.663 6.282 -8.787 1.00 30.54 C ATOM 1030 O ASN A 60 5.596 6.054 -8.217 1.00 74.15 O ATOM 1031 CB ASN A 60 7.360 4.428 -10.378 1.00 4.15 C ATOM 1032 CG ASN A 60 8.313 3.258 -10.694 1.00 2.13 C ATOM 1033 OD1 ASN A 60 9.498 3.295 -10.360 1.00 3.44 O ATOM 1034 ND2 ASN A 60 7.799 2.206 -11.323 1.00 44.05 N ATOM 0 H ASN A 60 6.808 3.534 -7.986 1.00 31.52 H new ATOM 0 HA ASN A 60 8.670 5.581 -9.068 1.00 43.03 H new ATOM 0 HB2 ASN A 60 6.336 4.055 -10.352 1.00 4.15 H new ATOM 0 HB3 ASN A 60 7.413 5.157 -11.186 1.00 4.15 H new ATOM 0 HD21 ASN A 60 8.389 1.403 -11.540 1.00 44.05 H new ATOM 0 HD22 ASN A 60 6.814 2.202 -11.588 1.00 44.05 H new ATOM 1041 N ASP A 61 7.018 7.514 -9.227 1.00 21.33 N ATOM 1042 CA ASP A 61 6.130 8.708 -9.135 1.00 14.15 C ATOM 1043 C ASP A 61 4.925 8.591 -10.083 1.00 32.33 C ATOM 1044 O ASP A 61 3.863 9.174 -9.825 1.00 51.44 O ATOM 1045 CB ASP A 61 6.921 10.021 -9.426 1.00 33.51 C ATOM 1046 CG ASP A 61 7.427 10.118 -10.878 1.00 2.12 C ATOM 1047 OD1 ASP A 61 8.461 9.512 -11.200 1.00 14.55 O ATOM 1048 OD2 ASP A 61 6.784 10.788 -11.705 1.00 41.31 O ATOM 0 H ASP A 61 7.923 7.712 -9.654 1.00 21.33 H new ATOM 0 HA ASP A 61 5.753 8.750 -8.113 1.00 14.15 H new ATOM 0 HB2 ASP A 61 6.281 10.877 -9.214 1.00 33.51 H new ATOM 0 HB3 ASP A 61 7.772 10.083 -8.747 1.00 33.51 H new ATOM 1053 N GLU A 62 5.109 7.832 -11.177 1.00 12.22 N ATOM 1054 CA GLU A 62 4.032 7.524 -12.133 1.00 51.22 C ATOM 1055 C GLU A 62 2.979 6.632 -11.417 1.00 72.30 C ATOM 1056 O GLU A 62 1.764 6.878 -11.507 1.00 73.14 O ATOM 1057 CB GLU A 62 4.651 6.841 -13.399 1.00 44.00 C ATOM 1058 CG GLU A 62 3.802 6.883 -14.697 1.00 31.53 C ATOM 1059 CD GLU A 62 2.588 5.936 -14.683 1.00 24.30 C ATOM 1060 OE1 GLU A 62 2.781 4.702 -14.820 1.00 65.15 O ATOM 1061 OE2 GLU A 62 1.437 6.399 -14.530 1.00 52.33 O ATOM 0 H GLU A 62 6.007 7.416 -11.423 1.00 12.22 H new ATOM 0 HA GLU A 62 3.525 8.427 -12.473 1.00 51.22 H new ATOM 0 HB2 GLU A 62 5.612 7.313 -13.605 1.00 44.00 H new ATOM 0 HB3 GLU A 62 4.854 5.797 -13.158 1.00 44.00 H new ATOM 0 HG2 GLU A 62 3.452 7.903 -14.857 1.00 31.53 H new ATOM 0 HG3 GLU A 62 4.439 6.628 -15.544 1.00 31.53 H new ATOM 1068 N GLU A 63 3.475 5.636 -10.646 1.00 14.30 N ATOM 1069 CA GLU A 63 2.620 4.752 -9.826 1.00 51.45 C ATOM 1070 C GLU A 63 2.001 5.501 -8.631 1.00 34.05 C ATOM 1071 O GLU A 63 0.908 5.153 -8.207 1.00 34.54 O ATOM 1072 CB GLU A 63 3.411 3.517 -9.310 1.00 21.43 C ATOM 1073 CG GLU A 63 3.951 2.592 -10.413 1.00 34.13 C ATOM 1074 CD GLU A 63 2.864 2.105 -11.392 1.00 21.13 C ATOM 1075 OE1 GLU A 63 1.876 1.478 -10.952 1.00 12.31 O ATOM 1076 OE2 GLU A 63 2.982 2.364 -12.607 1.00 63.54 O ATOM 0 H GLU A 63 4.471 5.425 -10.576 1.00 14.30 H new ATOM 0 HA GLU A 63 1.814 4.411 -10.476 1.00 51.45 H new ATOM 0 HB2 GLU A 63 4.248 3.866 -8.705 1.00 21.43 H new ATOM 0 HB3 GLU A 63 2.763 2.937 -8.653 1.00 21.43 H new ATOM 0 HG2 GLU A 63 4.723 3.119 -10.973 1.00 34.13 H new ATOM 0 HG3 GLU A 63 4.427 1.727 -9.951 1.00 34.13 H new ATOM 1083 N LEU A 64 2.727 6.500 -8.089 1.00 44.33 N ATOM 1084 CA LEU A 64 2.257 7.357 -6.973 1.00 15.32 C ATOM 1085 C LEU A 64 0.948 8.054 -7.350 1.00 43.00 C ATOM 1086 O LEU A 64 -0.104 7.857 -6.701 1.00 63.53 O ATOM 1087 CB LEU A 64 3.352 8.421 -6.622 1.00 4.42 C ATOM 1088 CG LEU A 64 3.012 9.458 -5.496 1.00 13.10 C ATOM 1089 CD1 LEU A 64 2.806 8.772 -4.133 1.00 72.15 C ATOM 1090 CD2 LEU A 64 4.092 10.569 -5.414 1.00 63.43 C ATOM 0 H LEU A 64 3.664 6.739 -8.414 1.00 44.33 H new ATOM 0 HA LEU A 64 2.076 6.729 -6.100 1.00 15.32 H new ATOM 0 HB2 LEU A 64 4.257 7.889 -6.329 1.00 4.42 H new ATOM 0 HB3 LEU A 64 3.588 8.975 -7.531 1.00 4.42 H new ATOM 0 HG LEU A 64 2.067 9.932 -5.763 1.00 13.10 H new ATOM 0 HD11 LEU A 64 2.572 9.524 -3.379 1.00 72.15 H new ATOM 0 HD12 LEU A 64 1.983 8.061 -4.204 1.00 72.15 H new ATOM 0 HD13 LEU A 64 3.717 8.245 -3.850 1.00 72.15 H new ATOM 0 HD21 LEU A 64 3.830 11.274 -4.625 1.00 63.43 H new ATOM 0 HD22 LEU A 64 5.060 10.120 -5.193 1.00 63.43 H new ATOM 0 HD23 LEU A 64 4.146 11.095 -6.367 1.00 63.43 H new ATOM 1102 N ASP A 65 1.027 8.824 -8.449 1.00 41.34 N ATOM 1103 CA ASP A 65 -0.082 9.644 -8.923 1.00 54.34 C ATOM 1104 C ASP A 65 -1.256 8.751 -9.346 1.00 32.52 C ATOM 1105 O ASP A 65 -2.386 8.988 -8.923 1.00 34.51 O ATOM 1106 CB ASP A 65 0.350 10.573 -10.085 1.00 44.14 C ATOM 1107 CG ASP A 65 -0.658 11.717 -10.309 1.00 34.14 C ATOM 1108 OD1 ASP A 65 -1.659 11.524 -11.034 1.00 31.43 O ATOM 1109 OD2 ASP A 65 -0.478 12.804 -9.717 1.00 50.12 O ATOM 0 H ASP A 65 1.864 8.890 -9.028 1.00 41.34 H new ATOM 0 HA ASP A 65 -0.404 10.283 -8.101 1.00 54.34 H new ATOM 0 HB2 ASP A 65 1.333 10.992 -9.869 1.00 44.14 H new ATOM 0 HB3 ASP A 65 0.446 9.989 -11.000 1.00 44.14 H new ATOM 1114 N LYS A 66 -0.945 7.671 -10.092 1.00 24.32 N ATOM 1115 CA LYS A 66 -1.952 6.740 -10.626 1.00 34.52 C ATOM 1116 C LYS A 66 -2.686 5.985 -9.497 1.00 2.31 C ATOM 1117 O LYS A 66 -3.897 5.774 -9.582 1.00 55.42 O ATOM 1118 CB LYS A 66 -1.295 5.753 -11.593 1.00 72.31 C ATOM 1119 CG LYS A 66 -2.315 4.884 -12.363 1.00 71.11 C ATOM 1120 CD LYS A 66 -1.794 4.401 -13.727 1.00 23.11 C ATOM 1121 CE LYS A 66 -0.683 3.339 -13.644 1.00 30.14 C ATOM 1122 NZ LYS A 66 0.598 3.867 -13.117 1.00 14.21 N ATOM 0 H LYS A 66 0.013 7.423 -10.339 1.00 24.32 H new ATOM 0 HA LYS A 66 -2.697 7.325 -11.165 1.00 34.52 H new ATOM 0 HB2 LYS A 66 -0.686 6.306 -12.308 1.00 72.31 H new ATOM 0 HB3 LYS A 66 -0.621 5.103 -11.036 1.00 72.31 H new ATOM 0 HG2 LYS A 66 -2.577 4.018 -11.755 1.00 71.11 H new ATOM 0 HG3 LYS A 66 -3.230 5.457 -12.513 1.00 71.11 H new ATOM 0 HD2 LYS A 66 -2.628 3.992 -14.297 1.00 23.11 H new ATOM 0 HD3 LYS A 66 -1.418 5.260 -14.283 1.00 23.11 H new ATOM 0 HE2 LYS A 66 -1.020 2.521 -13.007 1.00 30.14 H new ATOM 0 HE3 LYS A 66 -0.515 2.922 -14.637 1.00 30.14 H new ATOM 0 HZ1 LYS A 66 1.390 3.334 -13.530 1.00 14.21 H new ATOM 0 HZ2 LYS A 66 0.689 4.872 -13.368 1.00 14.21 H new ATOM 0 HZ3 LYS A 66 0.616 3.766 -12.082 1.00 14.21 H new ATOM 1136 N ALA A 67 -1.949 5.598 -8.431 1.00 2.24 N ATOM 1137 CA ALA A 67 -2.531 4.899 -7.260 1.00 3.54 C ATOM 1138 C ALA A 67 -3.515 5.813 -6.508 1.00 71.12 C ATOM 1139 O ALA A 67 -4.548 5.335 -6.010 1.00 1.33 O ATOM 1140 CB ALA A 67 -1.434 4.399 -6.314 1.00 62.34 C ATOM 0 H ALA A 67 -0.944 5.759 -8.357 1.00 2.24 H new ATOM 0 HA ALA A 67 -3.080 4.033 -7.630 1.00 3.54 H new ATOM 0 HB1 ALA A 67 -1.890 3.891 -5.465 1.00 62.34 H new ATOM 0 HB2 ALA A 67 -0.783 3.705 -6.846 1.00 62.34 H new ATOM 0 HB3 ALA A 67 -0.847 5.246 -5.958 1.00 62.34 H new ATOM 1146 N LYS A 68 -3.200 7.132 -6.460 1.00 51.22 N ATOM 1147 CA LYS A 68 -4.132 8.147 -5.925 1.00 3.14 C ATOM 1148 C LYS A 68 -5.424 8.175 -6.766 1.00 4.13 C ATOM 1149 O LYS A 68 -6.523 8.171 -6.216 1.00 71.43 O ATOM 1150 CB LYS A 68 -3.521 9.581 -5.923 1.00 11.04 C ATOM 1151 CG LYS A 68 -2.255 9.775 -5.063 1.00 32.12 C ATOM 1152 CD LYS A 68 -1.808 11.266 -4.940 1.00 21.11 C ATOM 1153 CE LYS A 68 -1.249 11.896 -6.239 1.00 24.11 C ATOM 1154 NZ LYS A 68 -2.261 12.065 -7.330 1.00 4.35 N ATOM 0 H LYS A 68 -2.311 7.513 -6.785 1.00 51.22 H new ATOM 0 HA LYS A 68 -4.342 7.861 -4.894 1.00 3.14 H new ATOM 0 HB2 LYS A 68 -3.283 9.855 -6.951 1.00 11.04 H new ATOM 0 HB3 LYS A 68 -4.283 10.279 -5.575 1.00 11.04 H new ATOM 0 HG2 LYS A 68 -2.438 9.375 -4.066 1.00 32.12 H new ATOM 0 HG3 LYS A 68 -1.440 9.194 -5.494 1.00 32.12 H new ATOM 0 HD2 LYS A 68 -2.660 11.858 -4.606 1.00 21.11 H new ATOM 0 HD3 LYS A 68 -1.046 11.337 -4.164 1.00 21.11 H new ATOM 0 HE2 LYS A 68 -0.823 12.871 -6.001 1.00 24.11 H new ATOM 0 HE3 LYS A 68 -0.434 11.273 -6.609 1.00 24.11 H new ATOM 0 HZ1 LYS A 68 -2.076 12.952 -7.841 1.00 4.35 H new ATOM 0 HZ2 LYS A 68 -2.196 11.265 -7.991 1.00 4.35 H new ATOM 0 HZ3 LYS A 68 -3.215 12.096 -6.917 1.00 4.35 H new ATOM 1168 N GLU A 69 -5.267 8.192 -8.110 1.00 73.22 N ATOM 1169 CA GLU A 69 -6.402 8.346 -9.049 1.00 53.40 C ATOM 1170 C GLU A 69 -7.371 7.152 -8.949 1.00 21.23 C ATOM 1171 O GLU A 69 -8.580 7.340 -8.812 1.00 23.22 O ATOM 1172 CB GLU A 69 -5.924 8.525 -10.522 1.00 74.23 C ATOM 1173 CG GLU A 69 -4.819 9.583 -10.739 1.00 1.54 C ATOM 1174 CD GLU A 69 -5.050 10.923 -10.007 1.00 22.24 C ATOM 1175 OE1 GLU A 69 -5.784 11.781 -10.532 1.00 70.34 O ATOM 1176 OE2 GLU A 69 -4.485 11.133 -8.901 1.00 11.20 O ATOM 0 H GLU A 69 -4.361 8.101 -8.570 1.00 73.22 H new ATOM 0 HA GLU A 69 -6.930 9.254 -8.757 1.00 53.40 H new ATOM 0 HB2 GLU A 69 -5.560 7.565 -10.887 1.00 74.23 H new ATOM 0 HB3 GLU A 69 -6.785 8.793 -11.135 1.00 74.23 H new ATOM 0 HG2 GLU A 69 -3.867 9.166 -10.411 1.00 1.54 H new ATOM 0 HG3 GLU A 69 -4.729 9.780 -11.807 1.00 1.54 H new ATOM 1183 N LEU A 70 -6.804 5.931 -8.961 1.00 22.41 N ATOM 1184 CA LEU A 70 -7.567 4.669 -8.876 1.00 23.45 C ATOM 1185 C LEU A 70 -8.308 4.571 -7.524 1.00 51.14 C ATOM 1186 O LEU A 70 -9.457 4.120 -7.473 1.00 32.31 O ATOM 1187 CB LEU A 70 -6.616 3.453 -9.097 1.00 71.44 C ATOM 1188 CG LEU A 70 -5.922 3.372 -10.502 1.00 30.11 C ATOM 1189 CD1 LEU A 70 -4.896 2.210 -10.568 1.00 23.34 C ATOM 1190 CD2 LEU A 70 -6.973 3.276 -11.638 1.00 43.24 C ATOM 0 H LEU A 70 -5.796 5.790 -9.030 1.00 22.41 H new ATOM 0 HA LEU A 70 -8.320 4.656 -9.664 1.00 23.45 H new ATOM 0 HB2 LEU A 70 -5.841 3.479 -8.331 1.00 71.44 H new ATOM 0 HB3 LEU A 70 -7.187 2.537 -8.942 1.00 71.44 H new ATOM 0 HG LEU A 70 -5.363 4.296 -10.648 1.00 30.11 H new ATOM 0 HD11 LEU A 70 -4.436 2.186 -11.556 1.00 23.34 H new ATOM 0 HD12 LEU A 70 -4.125 2.362 -9.813 1.00 23.34 H new ATOM 0 HD13 LEU A 70 -5.405 1.264 -10.382 1.00 23.34 H new ATOM 0 HD21 LEU A 70 -6.464 3.221 -12.601 1.00 43.24 H new ATOM 0 HD22 LEU A 70 -7.580 2.382 -11.497 1.00 43.24 H new ATOM 0 HD23 LEU A 70 -7.614 4.157 -11.616 1.00 43.24 H new ATOM 1202 N ALA A 71 -7.639 5.028 -6.449 1.00 32.20 N ATOM 1203 CA ALA A 71 -8.242 5.139 -5.103 1.00 21.34 C ATOM 1204 C ALA A 71 -9.457 6.100 -5.091 1.00 71.32 C ATOM 1205 O ALA A 71 -10.461 5.837 -4.412 1.00 2.23 O ATOM 1206 CB ALA A 71 -7.183 5.610 -4.101 1.00 64.34 C ATOM 0 H ALA A 71 -6.666 5.331 -6.487 1.00 32.20 H new ATOM 0 HA ALA A 71 -8.606 4.153 -4.816 1.00 21.34 H new ATOM 0 HB1 ALA A 71 -7.630 5.691 -3.110 1.00 64.34 H new ATOM 0 HB2 ALA A 71 -6.364 4.891 -4.072 1.00 64.34 H new ATOM 0 HB3 ALA A 71 -6.800 6.584 -4.407 1.00 64.34 H new ATOM 1212 N GLN A 72 -9.340 7.207 -5.857 1.00 11.31 N ATOM 1213 CA GLN A 72 -10.402 8.221 -6.002 1.00 11.13 C ATOM 1214 C GLN A 72 -11.595 7.653 -6.801 1.00 42.02 C ATOM 1215 O GLN A 72 -12.745 7.946 -6.464 1.00 53.45 O ATOM 1216 CB GLN A 72 -9.837 9.510 -6.677 1.00 3.43 C ATOM 1217 CG GLN A 72 -8.848 10.316 -5.801 1.00 4.32 C ATOM 1218 CD GLN A 72 -8.178 11.476 -6.554 1.00 15.24 C ATOM 1219 OE1 GLN A 72 -7.032 11.207 -7.162 1.00 4.34 O flip ATOM 1220 NE2 GLN A 72 -8.688 12.598 -6.586 1.00 53.14 N flip ATOM 0 H GLN A 72 -8.500 7.421 -6.394 1.00 11.31 H new ATOM 0 HA GLN A 72 -10.763 8.488 -5.009 1.00 11.13 H new ATOM 0 HB2 GLN A 72 -9.336 9.229 -7.603 1.00 3.43 H new ATOM 0 HB3 GLN A 72 -10.671 10.157 -6.949 1.00 3.43 H new ATOM 0 HG2 GLN A 72 -9.379 10.712 -4.935 1.00 4.32 H new ATOM 0 HG3 GLN A 72 -8.078 9.644 -5.422 1.00 4.32 H new ATOM 0 HE21 GLN A 72 -9.572 12.770 -6.107 1.00 53.14 H new ATOM 0 HE22 GLN A 72 -8.226 13.354 -7.092 1.00 53.14 H new ATOM 1229 N LYS A 73 -11.327 6.803 -7.826 1.00 51.22 N ATOM 1230 CA LYS A 73 -12.404 6.161 -8.631 1.00 51.54 C ATOM 1231 C LYS A 73 -13.276 5.263 -7.728 1.00 12.14 C ATOM 1232 O LYS A 73 -14.488 5.137 -7.925 1.00 3.50 O ATOM 1233 CB LYS A 73 -11.834 5.286 -9.799 1.00 65.45 C ATOM 1234 CG LYS A 73 -10.688 5.901 -10.630 1.00 31.31 C ATOM 1235 CD LYS A 73 -10.951 7.326 -11.153 1.00 14.22 C ATOM 1236 CE LYS A 73 -12.090 7.412 -12.176 1.00 41.34 C ATOM 1237 NZ LYS A 73 -12.260 8.810 -12.664 1.00 24.10 N ATOM 0 H LYS A 73 -10.383 6.547 -8.114 1.00 51.22 H new ATOM 0 HA LYS A 73 -12.997 6.967 -9.063 1.00 51.54 H new ATOM 0 HB2 LYS A 73 -11.482 4.344 -9.378 1.00 65.45 H new ATOM 0 HB3 LYS A 73 -12.654 5.046 -10.476 1.00 65.45 H new ATOM 0 HG2 LYS A 73 -9.785 5.916 -10.020 1.00 31.31 H new ATOM 0 HG3 LYS A 73 -10.487 5.250 -11.481 1.00 31.31 H new ATOM 0 HD2 LYS A 73 -11.184 7.975 -10.309 1.00 14.22 H new ATOM 0 HD3 LYS A 73 -10.038 7.710 -11.608 1.00 14.22 H new ATOM 0 HE2 LYS A 73 -11.880 6.752 -13.017 1.00 41.34 H new ATOM 0 HE3 LYS A 73 -13.019 7.065 -11.723 1.00 41.34 H new ATOM 0 HZ1 LYS A 73 -13.036 8.844 -13.355 1.00 24.10 H new ATOM 0 HZ2 LYS A 73 -12.483 9.433 -11.862 1.00 24.10 H new ATOM 0 HZ3 LYS A 73 -11.380 9.129 -13.116 1.00 24.10 H new ATOM 1251 N MET A 74 -12.612 4.650 -6.734 1.00 60.21 N ATOM 1252 CA MET A 74 -13.235 3.737 -5.759 1.00 64.32 C ATOM 1253 C MET A 74 -13.796 4.505 -4.541 1.00 0.44 C ATOM 1254 O MET A 74 -14.558 3.941 -3.751 1.00 23.25 O ATOM 1255 CB MET A 74 -12.178 2.714 -5.288 1.00 73.10 C ATOM 1256 CG MET A 74 -11.504 1.921 -6.413 1.00 53.11 C ATOM 1257 SD MET A 74 -12.614 0.801 -7.285 1.00 62.42 S ATOM 1258 CE MET A 74 -11.438 -0.185 -8.218 1.00 32.31 C ATOM 0 H MET A 74 -11.611 4.776 -6.582 1.00 60.21 H new ATOM 0 HA MET A 74 -14.069 3.228 -6.243 1.00 64.32 H new ATOM 0 HB2 MET A 74 -11.409 3.241 -4.723 1.00 73.10 H new ATOM 0 HB3 MET A 74 -12.653 2.012 -4.602 1.00 73.10 H new ATOM 0 HG2 MET A 74 -11.073 2.621 -7.129 1.00 53.11 H new ATOM 0 HG3 MET A 74 -10.679 1.345 -5.994 1.00 53.11 H new ATOM 0 HE1 MET A 74 -11.861 -0.431 -9.192 1.00 32.31 H new ATOM 0 HE2 MET A 74 -10.517 0.381 -8.355 1.00 32.31 H new ATOM 0 HE3 MET A 74 -11.221 -1.104 -7.674 1.00 32.31 H new ATOM 1268 N GLU A 75 -13.396 5.791 -4.419 1.00 61.24 N ATOM 1269 CA GLU A 75 -13.739 6.696 -3.287 1.00 2.30 C ATOM 1270 C GLU A 75 -13.295 6.147 -1.904 1.00 40.22 C ATOM 1271 O GLU A 75 -13.802 6.600 -0.866 1.00 43.45 O ATOM 1272 CB GLU A 75 -15.261 7.036 -3.281 1.00 22.33 C ATOM 1273 CG GLU A 75 -15.785 7.675 -4.583 1.00 31.33 C ATOM 1274 CD GLU A 75 -17.243 8.158 -4.471 1.00 61.40 C ATOM 1275 OE1 GLU A 75 -18.154 7.310 -4.326 1.00 2.13 O ATOM 1276 OE2 GLU A 75 -17.486 9.386 -4.522 1.00 13.22 O ATOM 0 H GLU A 75 -12.811 6.244 -5.121 1.00 61.24 H new ATOM 0 HA GLU A 75 -13.172 7.612 -3.453 1.00 2.30 H new ATOM 0 HB2 GLU A 75 -15.823 6.122 -3.090 1.00 22.33 H new ATOM 0 HB3 GLU A 75 -15.464 7.714 -2.452 1.00 22.33 H new ATOM 0 HG2 GLU A 75 -15.148 8.518 -4.849 1.00 31.33 H new ATOM 0 HG3 GLU A 75 -15.709 6.950 -5.393 1.00 31.33 H new ATOM 1283 N ILE A 76 -12.320 5.215 -1.887 1.00 3.50 N ATOM 1284 CA ILE A 76 -11.826 4.582 -0.637 1.00 1.25 C ATOM 1285 C ILE A 76 -10.865 5.550 0.108 1.00 61.02 C ATOM 1286 O ILE A 76 -10.159 6.349 -0.523 1.00 73.14 O ATOM 1287 CB ILE A 76 -11.112 3.195 -0.929 1.00 15.43 C ATOM 1288 CG1 ILE A 76 -12.092 2.218 -1.660 1.00 24.32 C ATOM 1289 CG2 ILE A 76 -10.561 2.532 0.369 1.00 20.03 C ATOM 1290 CD1 ILE A 76 -11.480 0.891 -2.094 1.00 52.02 C ATOM 0 H ILE A 76 -11.853 4.879 -2.729 1.00 3.50 H new ATOM 0 HA ILE A 76 -12.686 4.378 0.001 1.00 1.25 H new ATOM 0 HB ILE A 76 -10.260 3.402 -1.577 1.00 15.43 H new ATOM 0 HG12 ILE A 76 -12.935 2.013 -1.000 1.00 24.32 H new ATOM 0 HG13 ILE A 76 -12.492 2.721 -2.541 1.00 24.32 H new ATOM 0 HG21 ILE A 76 -10.081 1.586 0.119 1.00 20.03 H new ATOM 0 HG22 ILE A 76 -9.833 3.196 0.836 1.00 20.03 H new ATOM 0 HG23 ILE A 76 -11.383 2.350 1.062 1.00 20.03 H new ATOM 0 HD11 ILE A 76 -12.238 0.286 -2.590 1.00 52.02 H new ATOM 0 HD12 ILE A 76 -10.657 1.078 -2.783 1.00 52.02 H new ATOM 0 HD13 ILE A 76 -11.107 0.359 -1.219 1.00 52.02 H new ATOM 1302 N ASP A 77 -10.881 5.474 1.448 1.00 51.01 N ATOM 1303 CA ASP A 77 -10.088 6.331 2.347 1.00 32.21 C ATOM 1304 C ASP A 77 -8.613 5.847 2.355 1.00 44.25 C ATOM 1305 O ASP A 77 -8.250 4.922 3.097 1.00 51.32 O ATOM 1306 CB ASP A 77 -10.758 6.265 3.753 1.00 3.41 C ATOM 1307 CG ASP A 77 -10.307 7.346 4.745 1.00 61.12 C ATOM 1308 OD1 ASP A 77 -10.464 8.541 4.434 1.00 52.00 O ATOM 1309 OD2 ASP A 77 -9.823 7.009 5.850 1.00 73.31 O ATOM 0 H ASP A 77 -11.459 4.799 1.949 1.00 51.01 H new ATOM 0 HA ASP A 77 -10.068 7.370 2.017 1.00 32.21 H new ATOM 0 HB2 ASP A 77 -11.838 6.339 3.627 1.00 3.41 H new ATOM 0 HB3 ASP A 77 -10.554 5.287 4.189 1.00 3.41 H new ATOM 1314 N VAL A 78 -7.776 6.450 1.471 1.00 70.15 N ATOM 1315 CA VAL A 78 -6.399 5.960 1.163 1.00 13.14 C ATOM 1316 C VAL A 78 -5.330 7.064 1.389 1.00 71.14 C ATOM 1317 O VAL A 78 -5.588 8.252 1.179 1.00 54.33 O ATOM 1318 CB VAL A 78 -6.305 5.455 -0.339 1.00 13.23 C ATOM 1319 CG1 VAL A 78 -4.893 4.938 -0.701 1.00 64.44 C ATOM 1320 CG2 VAL A 78 -7.371 4.376 -0.647 1.00 43.52 C ATOM 0 H VAL A 78 -8.033 7.289 0.950 1.00 70.15 H new ATOM 0 HA VAL A 78 -6.199 5.133 1.845 1.00 13.14 H new ATOM 0 HB VAL A 78 -6.506 6.325 -0.965 1.00 13.23 H new ATOM 0 HG11 VAL A 78 -4.883 4.605 -1.739 1.00 64.44 H new ATOM 0 HG12 VAL A 78 -4.167 5.741 -0.570 1.00 64.44 H new ATOM 0 HG13 VAL A 78 -4.633 4.104 -0.049 1.00 64.44 H new ATOM 0 HG21 VAL A 78 -7.275 4.055 -1.684 1.00 43.52 H new ATOM 0 HG22 VAL A 78 -7.224 3.521 0.012 1.00 43.52 H new ATOM 0 HG23 VAL A 78 -8.366 4.791 -0.486 1.00 43.52 H new ATOM 1330 N ARG A 79 -4.126 6.628 1.826 1.00 31.32 N ATOM 1331 CA ARG A 79 -2.896 7.442 1.905 1.00 21.53 C ATOM 1332 C ARG A 79 -1.867 6.793 0.965 1.00 5.53 C ATOM 1333 O ARG A 79 -1.621 5.593 1.078 1.00 33.32 O ATOM 1334 CB ARG A 79 -2.300 7.501 3.356 1.00 24.42 C ATOM 1335 CG ARG A 79 -3.224 8.070 4.459 1.00 42.13 C ATOM 1336 CD ARG A 79 -4.261 7.063 4.975 1.00 34.40 C ATOM 1337 NE ARG A 79 -5.209 7.694 5.909 1.00 22.15 N ATOM 1338 CZ ARG A 79 -6.508 7.390 5.992 1.00 2.34 C ATOM 1339 NH1 ARG A 79 -7.035 6.460 5.213 1.00 31.10 N ATOM 1340 NH2 ARG A 79 -7.272 8.003 6.877 1.00 52.13 N ATOM 0 H ARG A 79 -3.982 5.669 2.143 1.00 31.32 H new ATOM 0 HA ARG A 79 -3.133 8.467 1.621 1.00 21.53 H new ATOM 0 HB2 ARG A 79 -2.005 6.492 3.645 1.00 24.42 H new ATOM 0 HB3 ARG A 79 -1.392 8.103 3.328 1.00 24.42 H new ATOM 0 HG2 ARG A 79 -2.612 8.408 5.295 1.00 42.13 H new ATOM 0 HG3 ARG A 79 -3.743 8.946 4.070 1.00 42.13 H new ATOM 0 HD2 ARG A 79 -4.807 6.638 4.133 1.00 34.40 H new ATOM 0 HD3 ARG A 79 -3.752 6.238 5.474 1.00 34.40 H new ATOM 0 HE ARG A 79 -4.849 8.413 6.536 1.00 22.15 H new ATOM 0 HH11 ARG A 79 -6.449 5.966 4.540 1.00 31.10 H new ATOM 0 HH12 ARG A 79 -8.028 6.237 5.285 1.00 31.10 H new ATOM 0 HH21 ARG A 79 -6.871 8.707 7.496 1.00 52.13 H new ATOM 0 HH22 ARG A 79 -8.263 7.772 6.942 1.00 52.13 H new ATOM 1354 N THR A 80 -1.280 7.563 0.039 1.00 21.01 N ATOM 1355 CA THR A 80 -0.302 7.037 -0.941 1.00 15.35 C ATOM 1356 C THR A 80 1.071 7.733 -0.745 1.00 50.12 C ATOM 1357 O THR A 80 1.171 8.964 -0.845 1.00 71.54 O ATOM 1358 CB THR A 80 -0.827 7.235 -2.411 1.00 3.11 C ATOM 1359 OG1 THR A 80 -2.199 6.801 -2.499 1.00 2.20 O ATOM 1360 CG2 THR A 80 0.008 6.445 -3.438 1.00 75.11 C ATOM 0 H THR A 80 -1.463 8.562 -0.057 1.00 21.01 H new ATOM 0 HA THR A 80 -0.176 5.967 -0.773 1.00 15.35 H new ATOM 0 HB THR A 80 -0.741 8.296 -2.645 1.00 3.11 H new ATOM 0 HG1 THR A 80 -2.524 6.927 -3.415 1.00 2.20 H new ATOM 0 HG21 THR A 80 -0.392 6.613 -4.438 1.00 75.11 H new ATOM 0 HG22 THR A 80 1.044 6.781 -3.400 1.00 75.11 H new ATOM 0 HG23 THR A 80 -0.037 5.382 -3.203 1.00 75.11 H new ATOM 1368 N ARG A 81 2.114 6.927 -0.451 1.00 42.43 N ATOM 1369 CA ARG A 81 3.503 7.385 -0.210 1.00 52.35 C ATOM 1370 C ARG A 81 4.448 6.733 -1.239 1.00 54.02 C ATOM 1371 O ARG A 81 4.327 5.534 -1.513 1.00 73.54 O ATOM 1372 CB ARG A 81 3.962 7.004 1.235 1.00 1.32 C ATOM 1373 CG ARG A 81 3.184 7.663 2.406 1.00 43.40 C ATOM 1374 CD ARG A 81 3.425 9.181 2.545 1.00 11.34 C ATOM 1375 NE ARG A 81 2.839 9.945 1.428 1.00 3.13 N ATOM 1376 CZ ARG A 81 3.139 11.214 1.098 1.00 1.43 C ATOM 1377 NH1 ARG A 81 4.017 11.924 1.807 1.00 30.32 N ATOM 1378 NH2 ARG A 81 2.568 11.762 0.029 1.00 33.02 N ATOM 0 H ARG A 81 2.013 5.915 -0.372 1.00 42.43 H new ATOM 0 HA ARG A 81 3.537 8.469 -0.315 1.00 52.35 H new ATOM 0 HB2 ARG A 81 3.887 5.922 1.342 1.00 1.32 H new ATOM 0 HB3 ARG A 81 5.016 7.263 1.337 1.00 1.32 H new ATOM 0 HG2 ARG A 81 2.118 7.486 2.265 1.00 43.40 H new ATOM 0 HG3 ARG A 81 3.468 7.174 3.338 1.00 43.40 H new ATOM 0 HD2 ARG A 81 2.997 9.530 3.485 1.00 11.34 H new ATOM 0 HD3 ARG A 81 4.497 9.374 2.591 1.00 11.34 H new ATOM 0 HE ARG A 81 2.144 9.468 0.854 1.00 3.13 H new ATOM 0 HH11 ARG A 81 4.475 11.506 2.617 1.00 30.32 H new ATOM 0 HH12 ARG A 81 4.230 12.885 1.540 1.00 30.32 H new ATOM 0 HH21 ARG A 81 1.910 11.221 -0.531 1.00 33.02 H new ATOM 0 HH22 ARG A 81 2.788 12.724 -0.230 1.00 33.02 H new ATOM 1392 N LYS A 82 5.379 7.530 -1.803 1.00 31.10 N ATOM 1393 CA LYS A 82 6.419 7.035 -2.719 1.00 14.15 C ATOM 1394 C LYS A 82 7.718 6.784 -1.941 1.00 23.40 C ATOM 1395 O LYS A 82 8.221 7.681 -1.243 1.00 63.20 O ATOM 1396 CB LYS A 82 6.673 8.035 -3.883 1.00 74.30 C ATOM 1397 CG LYS A 82 7.680 7.508 -4.936 1.00 34.45 C ATOM 1398 CD LYS A 82 8.031 8.548 -6.021 1.00 64.44 C ATOM 1399 CE LYS A 82 8.725 9.788 -5.447 1.00 64.31 C ATOM 1400 NZ LYS A 82 9.079 10.765 -6.507 1.00 52.44 N ATOM 0 H LYS A 82 5.428 8.535 -1.634 1.00 31.10 H new ATOM 0 HA LYS A 82 6.071 6.099 -3.156 1.00 14.15 H new ATOM 0 HB2 LYS A 82 5.726 8.257 -4.375 1.00 74.30 H new ATOM 0 HB3 LYS A 82 7.046 8.973 -3.472 1.00 74.30 H new ATOM 0 HG2 LYS A 82 8.595 7.198 -4.430 1.00 34.45 H new ATOM 0 HG3 LYS A 82 7.264 6.621 -5.414 1.00 34.45 H new ATOM 0 HD2 LYS A 82 8.679 8.086 -6.766 1.00 64.44 H new ATOM 0 HD3 LYS A 82 7.120 8.852 -6.536 1.00 64.44 H new ATOM 0 HE2 LYS A 82 8.071 10.265 -4.717 1.00 64.31 H new ATOM 0 HE3 LYS A 82 9.628 9.486 -4.916 1.00 64.31 H new ATOM 0 HZ1 LYS A 82 9.650 11.531 -6.096 1.00 52.44 H new ATOM 0 HZ2 LYS A 82 9.626 10.287 -7.251 1.00 52.44 H new ATOM 0 HZ3 LYS A 82 8.210 11.162 -6.917 1.00 52.44 H new ATOM 1414 N VAL A 83 8.243 5.562 -2.070 1.00 54.35 N ATOM 1415 CA VAL A 83 9.449 5.093 -1.375 1.00 21.50 C ATOM 1416 C VAL A 83 10.317 4.234 -2.338 1.00 45.40 C ATOM 1417 O VAL A 83 9.805 3.370 -3.057 1.00 22.24 O ATOM 1418 CB VAL A 83 9.061 4.251 -0.086 1.00 31.13 C ATOM 1419 CG1 VAL A 83 8.375 5.131 0.993 1.00 44.33 C ATOM 1420 CG2 VAL A 83 8.163 3.038 -0.451 1.00 3.42 C ATOM 0 H VAL A 83 7.832 4.852 -2.676 1.00 54.35 H new ATOM 0 HA VAL A 83 10.026 5.961 -1.056 1.00 21.50 H new ATOM 0 HB VAL A 83 9.992 3.872 0.336 1.00 31.13 H new ATOM 0 HG11 VAL A 83 8.126 4.517 1.858 1.00 44.33 H new ATOM 0 HG12 VAL A 83 9.053 5.928 1.297 1.00 44.33 H new ATOM 0 HG13 VAL A 83 7.464 5.566 0.582 1.00 44.33 H new ATOM 0 HG21 VAL A 83 7.916 2.483 0.454 1.00 3.42 H new ATOM 0 HG22 VAL A 83 7.246 3.393 -0.921 1.00 3.42 H new ATOM 0 HG23 VAL A 83 8.696 2.386 -1.142 1.00 3.42 H new ATOM 1430 N THR A 84 11.632 4.504 -2.370 1.00 51.45 N ATOM 1431 CA THR A 84 12.627 3.633 -3.021 1.00 35.42 C ATOM 1432 C THR A 84 13.441 2.910 -1.939 1.00 45.14 C ATOM 1433 O THR A 84 13.845 1.755 -2.113 1.00 51.20 O ATOM 1434 CB THR A 84 13.589 4.452 -3.947 1.00 61.31 C ATOM 1435 OG1 THR A 84 14.120 5.574 -3.229 1.00 70.54 O ATOM 1436 CG2 THR A 84 12.888 4.950 -5.219 1.00 41.02 C ATOM 0 H THR A 84 12.038 5.337 -1.943 1.00 51.45 H new ATOM 0 HA THR A 84 12.100 2.911 -3.645 1.00 35.42 H new ATOM 0 HB THR A 84 14.393 3.781 -4.249 1.00 61.31 H new ATOM 0 HG1 THR A 84 14.722 6.081 -3.813 1.00 70.54 H new ATOM 0 HG21 THR A 84 13.596 5.512 -5.828 1.00 41.02 H new ATOM 0 HG22 THR A 84 12.517 4.097 -5.788 1.00 41.02 H new ATOM 0 HG23 THR A 84 12.053 5.595 -4.945 1.00 41.02 H new ATOM 1444 N SER A 85 13.706 3.622 -0.835 1.00 64.40 N ATOM 1445 CA SER A 85 14.403 3.065 0.321 1.00 13.24 C ATOM 1446 C SER A 85 13.430 2.183 1.137 1.00 34.12 C ATOM 1447 O SER A 85 12.366 2.670 1.539 1.00 31.55 O ATOM 1448 CB SER A 85 14.970 4.214 1.185 1.00 73.15 C ATOM 1449 OG SER A 85 15.811 5.061 0.415 1.00 43.11 O ATOM 0 H SER A 85 13.441 4.601 -0.723 1.00 64.40 H new ATOM 0 HA SER A 85 15.234 2.442 -0.011 1.00 13.24 H new ATOM 0 HB2 SER A 85 14.150 4.795 1.607 1.00 73.15 H new ATOM 0 HB3 SER A 85 15.532 3.801 2.023 1.00 73.15 H new ATOM 0 HG SER A 85 16.157 5.782 0.982 1.00 43.11 H new ATOM 1455 N PRO A 86 13.758 0.859 1.351 1.00 21.11 N ATOM 1456 CA PRO A 86 12.986 -0.031 2.252 1.00 63.04 C ATOM 1457 C PRO A 86 12.763 0.581 3.658 1.00 23.15 C ATOM 1458 O PRO A 86 11.696 0.425 4.224 1.00 2.14 O ATOM 1459 CB PRO A 86 13.856 -1.308 2.321 1.00 0.54 C ATOM 1460 CG PRO A 86 14.604 -1.333 1.024 1.00 63.21 C ATOM 1461 CD PRO A 86 14.869 0.118 0.685 1.00 31.14 C ATOM 0 HA PRO A 86 11.977 -0.213 1.882 1.00 63.04 H new ATOM 0 HB2 PRO A 86 14.538 -1.276 3.170 1.00 0.54 H new ATOM 0 HB3 PRO A 86 13.241 -2.200 2.440 1.00 0.54 H new ATOM 0 HG2 PRO A 86 15.536 -1.891 1.118 1.00 63.21 H new ATOM 0 HG3 PRO A 86 14.019 -1.819 0.243 1.00 63.21 H new ATOM 0 HD2 PRO A 86 15.842 0.442 1.055 1.00 31.14 H new ATOM 0 HD3 PRO A 86 14.867 0.282 -0.393 1.00 31.14 H new ATOM 1469 N ASP A 87 13.776 1.317 4.164 1.00 63.04 N ATOM 1470 CA ASP A 87 13.713 2.044 5.465 1.00 54.15 C ATOM 1471 C ASP A 87 12.510 3.015 5.526 1.00 14.02 C ATOM 1472 O ASP A 87 11.762 3.027 6.517 1.00 31.01 O ATOM 1473 CB ASP A 87 15.043 2.816 5.705 1.00 12.15 C ATOM 1474 CG ASP A 87 15.031 3.724 6.957 1.00 4.50 C ATOM 1475 OD1 ASP A 87 15.053 3.193 8.088 1.00 40.32 O ATOM 1476 OD2 ASP A 87 14.990 4.968 6.815 1.00 75.04 O ATOM 0 H ASP A 87 14.669 1.429 3.684 1.00 63.04 H new ATOM 0 HA ASP A 87 13.574 1.304 6.254 1.00 54.15 H new ATOM 0 HB2 ASP A 87 15.856 2.096 5.800 1.00 12.15 H new ATOM 0 HB3 ASP A 87 15.259 3.427 4.829 1.00 12.15 H new ATOM 1481 N GLU A 88 12.337 3.806 4.447 1.00 45.43 N ATOM 1482 CA GLU A 88 11.224 4.768 4.311 1.00 55.40 C ATOM 1483 C GLU A 88 9.859 4.031 4.329 1.00 71.11 C ATOM 1484 O GLU A 88 8.930 4.446 5.034 1.00 72.30 O ATOM 1485 CB GLU A 88 11.386 5.589 2.998 1.00 31.33 C ATOM 1486 CG GLU A 88 12.654 6.473 2.914 1.00 24.34 C ATOM 1487 CD GLU A 88 12.606 7.725 3.803 1.00 50.03 C ATOM 1488 OE1 GLU A 88 12.074 8.769 3.352 1.00 55.31 O ATOM 1489 OE2 GLU A 88 13.086 7.683 4.954 1.00 11.22 O ATOM 0 H GLU A 88 12.966 3.796 3.644 1.00 45.43 H new ATOM 0 HA GLU A 88 11.250 5.454 5.158 1.00 55.40 H new ATOM 0 HB2 GLU A 88 11.391 4.897 2.156 1.00 31.33 H new ATOM 0 HB3 GLU A 88 10.511 6.228 2.880 1.00 31.33 H new ATOM 0 HG2 GLU A 88 13.520 5.874 3.195 1.00 24.34 H new ATOM 0 HG3 GLU A 88 12.801 6.781 1.879 1.00 24.34 H new ATOM 1496 N ALA A 89 9.790 2.905 3.585 1.00 31.44 N ATOM 1497 CA ALA A 89 8.571 2.066 3.477 1.00 74.12 C ATOM 1498 C ALA A 89 8.159 1.490 4.844 1.00 62.41 C ATOM 1499 O ALA A 89 6.985 1.558 5.233 1.00 3.35 O ATOM 1500 CB ALA A 89 8.811 0.922 2.478 1.00 63.03 C ATOM 0 H ALA A 89 10.577 2.550 3.041 1.00 31.44 H new ATOM 0 HA ALA A 89 7.758 2.699 3.121 1.00 74.12 H new ATOM 0 HB1 ALA A 89 7.912 0.310 2.403 1.00 63.03 H new ATOM 0 HB2 ALA A 89 9.049 1.338 1.499 1.00 63.03 H new ATOM 0 HB3 ALA A 89 9.642 0.306 2.823 1.00 63.03 H new ATOM 1506 N LYS A 90 9.159 0.947 5.562 1.00 23.23 N ATOM 1507 CA LYS A 90 8.979 0.296 6.871 1.00 50.10 C ATOM 1508 C LYS A 90 8.491 1.294 7.923 1.00 63.23 C ATOM 1509 O LYS A 90 7.684 0.938 8.797 1.00 53.11 O ATOM 1510 CB LYS A 90 10.317 -0.327 7.342 1.00 31.42 C ATOM 1511 CG LYS A 90 10.833 -1.495 6.475 1.00 75.44 C ATOM 1512 CD LYS A 90 12.239 -1.978 6.909 1.00 23.15 C ATOM 1513 CE LYS A 90 12.255 -2.612 8.310 1.00 61.40 C ATOM 1514 NZ LYS A 90 13.600 -3.141 8.660 1.00 41.41 N ATOM 0 H LYS A 90 10.128 0.949 5.244 1.00 23.23 H new ATOM 0 HA LYS A 90 8.227 -0.484 6.755 1.00 50.10 H new ATOM 0 HB2 LYS A 90 11.077 0.454 7.362 1.00 31.42 H new ATOM 0 HB3 LYS A 90 10.196 -0.680 8.366 1.00 31.42 H new ATOM 0 HG2 LYS A 90 10.131 -2.327 6.537 1.00 75.44 H new ATOM 0 HG3 LYS A 90 10.866 -1.182 5.431 1.00 75.44 H new ATOM 0 HD2 LYS A 90 12.607 -2.704 6.184 1.00 23.15 H new ATOM 0 HD3 LYS A 90 12.928 -1.133 6.891 1.00 23.15 H new ATOM 0 HE2 LYS A 90 11.953 -1.870 9.049 1.00 61.40 H new ATOM 0 HE3 LYS A 90 11.524 -3.420 8.352 1.00 61.40 H new ATOM 0 HZ1 LYS A 90 13.526 -3.748 9.501 1.00 41.41 H new ATOM 0 HZ2 LYS A 90 13.973 -3.697 7.864 1.00 41.41 H new ATOM 0 HZ3 LYS A 90 14.243 -2.349 8.860 1.00 41.41 H new ATOM 1528 N ARG A 91 9.011 2.535 7.836 1.00 12.03 N ATOM 1529 CA ARG A 91 8.612 3.617 8.738 1.00 52.22 C ATOM 1530 C ARG A 91 7.111 3.876 8.631 1.00 5.40 C ATOM 1531 O ARG A 91 6.432 3.859 9.641 1.00 62.12 O ATOM 1532 CB ARG A 91 9.384 4.929 8.456 1.00 72.00 C ATOM 1533 CG ARG A 91 9.003 6.089 9.411 1.00 1.34 C ATOM 1534 CD ARG A 91 9.685 7.417 9.050 1.00 13.44 C ATOM 1535 NE ARG A 91 9.246 8.523 9.925 1.00 52.40 N ATOM 1536 CZ ARG A 91 9.073 9.801 9.533 1.00 12.31 C ATOM 1537 NH1 ARG A 91 9.299 10.170 8.273 1.00 73.34 N ATOM 1538 NH2 ARG A 91 8.673 10.703 10.421 1.00 21.22 N ATOM 0 H ARG A 91 9.710 2.806 7.145 1.00 12.03 H new ATOM 0 HA ARG A 91 8.859 3.293 9.749 1.00 52.22 H new ATOM 0 HB2 ARG A 91 10.454 4.737 8.540 1.00 72.00 H new ATOM 0 HB3 ARG A 91 9.195 5.238 7.428 1.00 72.00 H new ATOM 0 HG2 ARG A 91 7.922 6.226 9.393 1.00 1.34 H new ATOM 0 HG3 ARG A 91 9.272 5.815 10.431 1.00 1.34 H new ATOM 0 HD2 ARG A 91 10.766 7.302 9.127 1.00 13.44 H new ATOM 0 HD3 ARG A 91 9.464 7.667 8.012 1.00 13.44 H new ATOM 0 HE ARG A 91 9.059 8.302 10.903 1.00 52.40 H new ATOM 0 HH11 ARG A 91 9.608 9.481 7.587 1.00 73.34 H new ATOM 0 HH12 ARG A 91 9.163 11.142 7.994 1.00 73.34 H new ATOM 0 HH21 ARG A 91 8.500 10.426 11.387 1.00 21.22 H new ATOM 0 HH22 ARG A 91 8.538 11.673 10.137 1.00 21.22 H new ATOM 1552 N TRP A 92 6.597 4.088 7.400 1.00 13.40 N ATOM 1553 CA TRP A 92 5.167 4.395 7.180 1.00 51.43 C ATOM 1554 C TRP A 92 4.222 3.281 7.676 1.00 55.21 C ATOM 1555 O TRP A 92 3.109 3.577 8.116 1.00 1.21 O ATOM 1556 CB TRP A 92 4.885 4.696 5.691 1.00 33.45 C ATOM 1557 CG TRP A 92 5.696 5.836 5.109 1.00 11.14 C ATOM 1558 CD1 TRP A 92 6.396 5.818 3.937 1.00 22.23 C ATOM 1559 CD2 TRP A 92 5.897 7.151 5.664 1.00 53.54 C ATOM 1560 NE1 TRP A 92 7.018 7.018 3.737 1.00 51.32 N ATOM 1561 CE2 TRP A 92 6.729 7.851 4.775 1.00 14.12 C ATOM 1562 CE3 TRP A 92 5.458 7.807 6.820 1.00 31.42 C ATOM 1563 CZ2 TRP A 92 7.131 9.157 4.997 1.00 22.42 C ATOM 1564 CZ3 TRP A 92 5.863 9.108 7.041 1.00 33.24 C ATOM 1565 CH2 TRP A 92 6.692 9.772 6.134 1.00 54.01 C ATOM 0 H TRP A 92 7.151 4.052 6.544 1.00 13.40 H new ATOM 0 HA TRP A 92 4.959 5.283 7.777 1.00 51.43 H new ATOM 0 HB2 TRP A 92 5.081 3.795 5.109 1.00 33.45 H new ATOM 0 HB3 TRP A 92 3.826 4.926 5.576 1.00 33.45 H new ATOM 0 HD1 TRP A 92 6.450 4.975 3.264 1.00 22.23 H new ATOM 0 HE1 TRP A 92 7.606 7.253 2.937 1.00 51.32 H new ATOM 0 HE3 TRP A 92 4.814 7.304 7.526 1.00 31.42 H new ATOM 0 HZ2 TRP A 92 7.770 9.672 4.295 1.00 22.42 H new ATOM 0 HZ3 TRP A 92 5.533 9.622 7.932 1.00 33.24 H new ATOM 0 HH2 TRP A 92 6.991 10.790 6.336 1.00 54.01 H new ATOM 1576 N ILE A 93 4.680 2.019 7.621 1.00 25.23 N ATOM 1577 CA ILE A 93 3.899 0.855 8.091 1.00 42.45 C ATOM 1578 C ILE A 93 3.821 0.873 9.632 1.00 12.52 C ATOM 1579 O ILE A 93 2.745 0.658 10.218 1.00 60.11 O ATOM 1580 CB ILE A 93 4.551 -0.486 7.579 1.00 61.55 C ATOM 1581 CG1 ILE A 93 4.530 -0.523 6.014 1.00 3.35 C ATOM 1582 CG2 ILE A 93 3.870 -1.743 8.188 1.00 5.34 C ATOM 1583 CD1 ILE A 93 5.239 -1.712 5.399 1.00 70.24 C ATOM 0 H ILE A 93 5.599 1.774 7.251 1.00 25.23 H new ATOM 0 HA ILE A 93 2.888 0.914 7.687 1.00 42.45 H new ATOM 0 HB ILE A 93 5.587 -0.508 7.918 1.00 61.55 H new ATOM 0 HG12 ILE A 93 3.493 -0.522 5.678 1.00 3.35 H new ATOM 0 HG13 ILE A 93 4.988 0.391 5.636 1.00 3.35 H new ATOM 0 HG21 ILE A 93 4.355 -2.641 7.805 1.00 5.34 H new ATOM 0 HG22 ILE A 93 3.962 -1.716 9.274 1.00 5.34 H new ATOM 0 HG23 ILE A 93 2.815 -1.754 7.913 1.00 5.34 H new ATOM 0 HD11 ILE A 93 5.173 -1.653 4.313 1.00 70.24 H new ATOM 0 HD12 ILE A 93 6.287 -1.706 5.700 1.00 70.24 H new ATOM 0 HD13 ILE A 93 4.768 -2.633 5.742 1.00 70.24 H new ATOM 1595 N LYS A 94 4.979 1.139 10.263 1.00 70.11 N ATOM 1596 CA LYS A 94 5.101 1.344 11.713 1.00 10.35 C ATOM 1597 C LYS A 94 4.168 2.487 12.182 1.00 33.14 C ATOM 1598 O LYS A 94 3.368 2.302 13.089 1.00 24.31 O ATOM 1599 CB LYS A 94 6.583 1.674 12.053 1.00 51.52 C ATOM 1600 CG LYS A 94 6.900 1.799 13.565 1.00 11.23 C ATOM 1601 CD LYS A 94 8.133 2.692 13.856 1.00 1.33 C ATOM 1602 CE LYS A 94 7.946 4.119 13.311 1.00 35.34 C ATOM 1603 NZ LYS A 94 8.987 5.058 13.809 1.00 13.11 N ATOM 0 H LYS A 94 5.868 1.218 9.770 1.00 70.11 H new ATOM 0 HA LYS A 94 4.802 0.435 12.235 1.00 10.35 H new ATOM 0 HB2 LYS A 94 7.218 0.897 11.628 1.00 51.52 H new ATOM 0 HB3 LYS A 94 6.852 2.610 11.563 1.00 51.52 H new ATOM 0 HG2 LYS A 94 6.031 2.210 14.079 1.00 11.23 H new ATOM 0 HG3 LYS A 94 7.073 0.805 13.977 1.00 11.23 H new ATOM 0 HD2 LYS A 94 8.306 2.733 14.931 1.00 1.33 H new ATOM 0 HD3 LYS A 94 9.020 2.245 13.407 1.00 1.33 H new ATOM 0 HE2 LYS A 94 7.973 4.095 12.222 1.00 35.34 H new ATOM 0 HE3 LYS A 94 6.961 4.488 13.597 1.00 35.34 H new ATOM 0 HZ1 LYS A 94 8.818 6.005 13.414 1.00 13.11 H new ATOM 0 HZ2 LYS A 94 8.946 5.103 14.847 1.00 13.11 H new ATOM 0 HZ3 LYS A 94 9.926 4.723 13.514 1.00 13.11 H new ATOM 1617 N GLU A 95 4.247 3.636 11.482 1.00 21.44 N ATOM 1618 CA GLU A 95 3.425 4.839 11.755 1.00 43.41 C ATOM 1619 C GLU A 95 1.911 4.509 11.685 1.00 5.32 C ATOM 1620 O GLU A 95 1.126 4.907 12.552 1.00 31.12 O ATOM 1621 CB GLU A 95 3.759 5.956 10.717 1.00 74.11 C ATOM 1622 CG GLU A 95 5.205 6.504 10.743 1.00 64.22 C ATOM 1623 CD GLU A 95 5.534 7.364 11.977 1.00 53.21 C ATOM 1624 OE1 GLU A 95 5.035 8.508 12.055 1.00 14.11 O ATOM 1625 OE2 GLU A 95 6.305 6.924 12.862 1.00 54.42 O ATOM 0 H GLU A 95 4.891 3.760 10.700 1.00 21.44 H new ATOM 0 HA GLU A 95 3.659 5.186 12.761 1.00 43.41 H new ATOM 0 HB2 GLU A 95 3.558 5.567 9.719 1.00 74.11 H new ATOM 0 HB3 GLU A 95 3.074 6.789 10.878 1.00 74.11 H new ATOM 0 HG2 GLU A 95 5.900 5.665 10.703 1.00 64.22 H new ATOM 0 HG3 GLU A 95 5.372 7.099 9.845 1.00 64.22 H new ATOM 1632 N PHE A 96 1.555 3.736 10.648 1.00 71.50 N ATOM 1633 CA PHE A 96 0.164 3.387 10.289 1.00 71.32 C ATOM 1634 C PHE A 96 -0.467 2.405 11.302 1.00 43.43 C ATOM 1635 O PHE A 96 -1.695 2.393 11.491 1.00 34.22 O ATOM 1636 CB PHE A 96 0.180 2.790 8.856 1.00 25.45 C ATOM 1637 CG PHE A 96 -1.181 2.592 8.188 1.00 53.32 C ATOM 1638 CD1 PHE A 96 -1.946 3.689 7.793 1.00 32.42 C ATOM 1639 CD2 PHE A 96 -1.676 1.315 7.929 1.00 43.42 C ATOM 1640 CE1 PHE A 96 -3.161 3.510 7.164 1.00 1.43 C ATOM 1641 CE2 PHE A 96 -2.891 1.135 7.304 1.00 25.42 C ATOM 1642 CZ PHE A 96 -3.631 2.232 6.922 1.00 54.02 C ATOM 0 H PHE A 96 2.242 3.323 10.017 1.00 71.50 H new ATOM 0 HA PHE A 96 -0.456 4.283 10.317 1.00 71.32 H new ATOM 0 HB2 PHE A 96 0.781 3.441 8.221 1.00 25.45 H new ATOM 0 HB3 PHE A 96 0.686 1.825 8.893 1.00 25.45 H new ATOM 0 HD1 PHE A 96 -1.584 4.689 7.981 1.00 32.42 H new ATOM 0 HD2 PHE A 96 -1.097 0.452 8.223 1.00 43.42 H new ATOM 0 HE1 PHE A 96 -3.744 4.367 6.861 1.00 1.43 H new ATOM 0 HE2 PHE A 96 -3.261 0.138 7.115 1.00 25.42 H new ATOM 0 HZ PHE A 96 -4.583 2.094 6.431 1.00 54.02 H new ATOM 1652 N SER A 97 0.377 1.575 11.933 1.00 45.01 N ATOM 1653 CA SER A 97 -0.067 0.619 12.964 1.00 72.52 C ATOM 1654 C SER A 97 -0.122 1.278 14.362 1.00 72.51 C ATOM 1655 O SER A 97 -1.031 0.982 15.151 1.00 42.32 O ATOM 1656 CB SER A 97 0.854 -0.612 12.971 1.00 22.31 C ATOM 1657 OG SER A 97 2.212 -0.253 13.139 1.00 22.51 O ATOM 0 H SER A 97 1.379 1.545 11.747 1.00 45.01 H new ATOM 0 HA SER A 97 -1.080 0.298 12.719 1.00 72.52 H new ATOM 0 HB2 SER A 97 0.554 -1.285 13.774 1.00 22.31 H new ATOM 0 HB3 SER A 97 0.736 -1.159 12.036 1.00 22.31 H new ATOM 0 HG SER A 97 2.288 0.722 13.196 1.00 22.51 H new ATOM 1663 N GLU A 98 0.861 2.167 14.654 1.00 31.10 N ATOM 1664 CA GLU A 98 0.949 2.903 15.941 1.00 22.23 C ATOM 1665 C GLU A 98 -0.241 3.852 16.108 1.00 3.43 C ATOM 1666 O GLU A 98 -0.749 4.030 17.226 1.00 21.12 O ATOM 1667 CB GLU A 98 2.277 3.704 16.036 1.00 24.14 C ATOM 1668 CG GLU A 98 3.554 2.850 16.164 1.00 53.03 C ATOM 1669 CD GLU A 98 4.841 3.695 16.169 1.00 52.54 C ATOM 1670 OE1 GLU A 98 5.165 4.308 15.128 1.00 11.45 O ATOM 1671 OE2 GLU A 98 5.518 3.778 17.216 1.00 30.51 O ATOM 0 H GLU A 98 1.614 2.394 14.005 1.00 31.10 H new ATOM 0 HA GLU A 98 0.928 2.166 16.744 1.00 22.23 H new ATOM 0 HB2 GLU A 98 2.367 4.332 15.150 1.00 24.14 H new ATOM 0 HB3 GLU A 98 2.219 4.372 16.896 1.00 24.14 H new ATOM 0 HG2 GLU A 98 3.505 2.267 17.084 1.00 53.03 H new ATOM 0 HG3 GLU A 98 3.595 2.140 15.338 1.00 53.03 H new ATOM 1678 N GLU A 99 -0.666 4.482 15.002 1.00 33.12 N ATOM 1679 CA GLU A 99 -1.892 5.289 15.003 1.00 25.14 C ATOM 1680 C GLU A 99 -3.116 4.362 15.150 1.00 33.44 C ATOM 1681 O GLU A 99 -3.985 4.585 16.005 1.00 74.45 O ATOM 1682 CB GLU A 99 -2.012 6.188 13.733 1.00 61.03 C ATOM 1683 CG GLU A 99 -2.201 5.462 12.386 1.00 45.14 C ATOM 1684 CD GLU A 99 -2.384 6.409 11.187 1.00 24.10 C ATOM 1685 OE1 GLU A 99 -3.445 7.067 11.100 1.00 60.12 O ATOM 1686 OE2 GLU A 99 -1.483 6.495 10.323 1.00 43.23 O ATOM 0 H GLU A 99 -0.183 4.448 14.104 1.00 33.12 H new ATOM 0 HA GLU A 99 -1.850 5.969 15.854 1.00 25.14 H new ATOM 0 HB2 GLU A 99 -2.853 6.867 13.875 1.00 61.03 H new ATOM 0 HB3 GLU A 99 -1.114 6.803 13.665 1.00 61.03 H new ATOM 0 HG2 GLU A 99 -1.336 4.824 12.204 1.00 45.14 H new ATOM 0 HG3 GLU A 99 -3.070 4.808 12.456 1.00 45.14 H new ATOM 1693 N GLY A 100 -3.149 3.306 14.313 1.00 13.32 N ATOM 1694 CA GLY A 100 -4.297 2.401 14.202 1.00 63.03 C ATOM 1695 C GLY A 100 -5.575 3.079 13.684 1.00 42.44 C ATOM 1696 O GLY A 100 -6.615 2.443 13.589 1.00 60.31 O ATOM 0 H GLY A 100 -2.375 3.061 13.696 1.00 13.32 H new ATOM 0 HA2 GLY A 100 -4.037 1.580 13.534 1.00 63.03 H new ATOM 0 HA3 GLY A 100 -4.499 1.965 15.180 1.00 63.03 H new ATOM 1700 N GLY A 101 -5.473 4.368 13.322 1.00 22.10 N ATOM 1701 CA GLY A 101 -6.629 5.236 13.095 1.00 32.04 C ATOM 1702 C GLY A 101 -6.597 6.447 14.026 1.00 0.52 C ATOM 1703 O GLY A 101 -5.525 6.813 14.536 1.00 44.24 O ATOM 0 H GLY A 101 -4.578 4.836 13.179 1.00 22.10 H new ATOM 0 HA2 GLY A 101 -6.639 5.571 12.058 1.00 32.04 H new ATOM 0 HA3 GLY A 101 -7.548 4.673 13.257 1.00 32.04 H new ATOM 1707 N SER A 102 -7.765 7.108 14.188 1.00 3.30 N ATOM 1708 CA SER A 102 -8.027 8.150 15.217 1.00 14.13 C ATOM 1709 C SER A 102 -7.435 9.551 14.883 1.00 11.14 C ATOM 1710 O SER A 102 -7.980 10.570 15.338 1.00 1.24 O ATOM 1711 CB SER A 102 -7.597 7.688 16.644 1.00 21.32 C ATOM 1712 OG SER A 102 -8.036 8.597 17.652 1.00 71.23 O ATOM 0 H SER A 102 -8.575 6.930 13.594 1.00 3.30 H new ATOM 0 HA SER A 102 -9.110 8.276 15.206 1.00 14.13 H new ATOM 0 HB2 SER A 102 -8.007 6.698 16.844 1.00 21.32 H new ATOM 0 HB3 SER A 102 -6.512 7.597 16.685 1.00 21.32 H new ATOM 0 HG SER A 102 -7.749 8.273 18.532 1.00 71.23 H new ATOM 1718 N LEU A 103 -6.353 9.604 14.079 1.00 1.14 N ATOM 1719 CA LEU A 103 -5.642 10.867 13.751 1.00 22.21 C ATOM 1720 C LEU A 103 -6.435 11.739 12.765 1.00 33.04 C ATOM 1721 O LEU A 103 -6.203 12.952 12.677 1.00 61.43 O ATOM 1722 CB LEU A 103 -4.222 10.565 13.207 1.00 11.42 C ATOM 1723 CG LEU A 103 -3.256 9.826 14.189 1.00 23.42 C ATOM 1724 CD1 LEU A 103 -1.853 9.670 13.569 1.00 32.22 C ATOM 1725 CD2 LEU A 103 -3.192 10.531 15.568 1.00 31.44 C ATOM 0 H LEU A 103 -5.946 8.779 13.638 1.00 1.14 H new ATOM 0 HA LEU A 103 -5.548 11.438 14.675 1.00 22.21 H new ATOM 0 HB2 LEU A 103 -4.321 9.963 12.304 1.00 11.42 H new ATOM 0 HB3 LEU A 103 -3.759 11.507 12.913 1.00 11.42 H new ATOM 0 HG LEU A 103 -3.659 8.827 14.359 1.00 23.42 H new ATOM 0 HD11 LEU A 103 -1.200 9.153 14.272 1.00 32.22 H new ATOM 0 HD12 LEU A 103 -1.925 9.092 12.648 1.00 32.22 H new ATOM 0 HD13 LEU A 103 -1.441 10.655 13.348 1.00 32.22 H new ATOM 0 HD21 LEU A 103 -2.511 9.988 16.223 1.00 31.44 H new ATOM 0 HD22 LEU A 103 -2.834 11.552 15.438 1.00 31.44 H new ATOM 0 HD23 LEU A 103 -4.186 10.549 16.014 1.00 31.44 H new ATOM 1737 N GLU A 104 -7.354 11.113 12.024 1.00 74.13 N ATOM 1738 CA GLU A 104 -8.339 11.828 11.212 1.00 22.43 C ATOM 1739 C GLU A 104 -9.520 12.226 12.100 1.00 70.41 C ATOM 1740 O GLU A 104 -9.999 11.420 12.915 1.00 20.24 O ATOM 1741 CB GLU A 104 -8.824 11.008 9.973 1.00 21.12 C ATOM 1742 CG GLU A 104 -9.292 9.551 10.211 1.00 75.22 C ATOM 1743 CD GLU A 104 -8.134 8.561 10.445 1.00 31.33 C ATOM 1744 OE1 GLU A 104 -7.137 8.607 9.680 1.00 41.14 O ATOM 1745 OE2 GLU A 104 -8.218 7.727 11.364 1.00 22.11 O ATOM 0 H GLU A 104 -7.435 10.098 11.971 1.00 74.13 H new ATOM 0 HA GLU A 104 -7.856 12.718 10.807 1.00 22.43 H new ATOM 0 HB2 GLU A 104 -9.647 11.553 9.512 1.00 21.12 H new ATOM 0 HB3 GLU A 104 -8.011 10.985 9.247 1.00 21.12 H new ATOM 0 HG2 GLU A 104 -9.958 9.529 11.074 1.00 75.22 H new ATOM 0 HG3 GLU A 104 -9.874 9.220 9.351 1.00 75.22 H new ATOM 1752 N HIS A 105 -9.946 13.492 11.970 1.00 43.34 N ATOM 1753 CA HIS A 105 -11.172 13.998 12.609 1.00 45.24 C ATOM 1754 C HIS A 105 -12.393 13.252 12.037 1.00 75.03 C ATOM 1755 O HIS A 105 -12.362 12.821 10.875 1.00 0.50 O ATOM 1756 CB HIS A 105 -11.290 15.537 12.429 1.00 62.11 C ATOM 1757 CG HIS A 105 -11.253 16.011 10.998 1.00 24.33 C ATOM 1758 ND1 HIS A 105 -10.109 16.482 10.394 1.00 62.31 N ATOM 1759 CD2 HIS A 105 -12.223 16.077 10.055 1.00 63.02 C ATOM 1760 CE1 HIS A 105 -10.376 16.818 9.149 1.00 10.41 C ATOM 1761 NE2 HIS A 105 -11.651 16.577 8.913 1.00 61.04 N ATOM 0 H HIS A 105 -9.451 14.194 11.419 1.00 43.34 H new ATOM 0 HA HIS A 105 -11.131 13.809 13.682 1.00 45.24 H new ATOM 0 HB2 HIS A 105 -12.222 15.871 12.884 1.00 62.11 H new ATOM 0 HB3 HIS A 105 -10.478 16.016 12.977 1.00 62.11 H new ATOM 0 HD2 HIS A 105 -13.256 15.789 10.179 1.00 63.02 H new ATOM 0 HE1 HIS A 105 -9.669 17.223 8.440 1.00 10.41 H new ATOM 0 HE2 HIS A 105 -12.132 16.736 8.028 1.00 61.04 H new ATOM 1770 N HIS A 106 -13.452 13.128 12.860 1.00 14.03 N ATOM 1771 CA HIS A 106 -14.578 12.198 12.619 1.00 50.51 C ATOM 1772 C HIS A 106 -14.065 10.751 12.698 1.00 15.44 C ATOM 1773 O HIS A 106 -14.316 9.921 11.812 1.00 61.40 O ATOM 1774 CB HIS A 106 -15.329 12.496 11.284 1.00 3.44 C ATOM 1775 CG HIS A 106 -16.144 13.771 11.292 1.00 63.55 C ATOM 1776 ND1 HIS A 106 -17.518 13.793 11.149 1.00 22.21 N ATOM 1777 CD2 HIS A 106 -15.771 15.062 11.437 1.00 64.20 C ATOM 1778 CE1 HIS A 106 -17.947 15.036 11.207 1.00 63.34 C ATOM 1779 NE2 HIS A 106 -16.910 15.828 11.382 1.00 72.51 N ATOM 0 H HIS A 106 -13.553 13.672 13.717 1.00 14.03 H new ATOM 0 HA HIS A 106 -15.324 12.346 13.399 1.00 50.51 H new ATOM 0 HB2 HIS A 106 -14.599 12.552 10.476 1.00 3.44 H new ATOM 0 HB3 HIS A 106 -15.990 11.659 11.059 1.00 3.44 H new ATOM 0 HD2 HIS A 106 -14.763 15.425 11.571 1.00 64.20 H new ATOM 0 HE1 HIS A 106 -18.976 15.353 11.125 1.00 63.34 H new ATOM 0 HE2 HIS A 106 -16.946 16.844 11.463 1.00 72.51 H new ATOM 1788 N HIS A 107 -13.317 10.472 13.784 1.00 74.22 N ATOM 1789 CA HIS A 107 -12.778 9.136 14.050 1.00 62.22 C ATOM 1790 C HIS A 107 -13.878 8.229 14.622 1.00 70.10 C ATOM 1791 O HIS A 107 -14.347 8.414 15.747 1.00 4.15 O ATOM 1792 CB HIS A 107 -11.515 9.183 14.960 1.00 53.54 C ATOM 1793 CG HIS A 107 -11.623 9.939 16.268 1.00 71.23 C ATOM 1794 ND1 HIS A 107 -11.146 11.222 16.425 1.00 52.34 N ATOM 1795 CD2 HIS A 107 -12.094 9.570 17.490 1.00 60.31 C ATOM 1796 CE1 HIS A 107 -11.311 11.603 17.680 1.00 2.53 C ATOM 1797 NE2 HIS A 107 -11.883 10.624 18.342 1.00 30.15 N ATOM 0 H HIS A 107 -13.075 11.165 14.492 1.00 74.22 H new ATOM 0 HA HIS A 107 -12.445 8.707 13.105 1.00 62.22 H new ATOM 0 HB2 HIS A 107 -11.226 8.157 15.188 1.00 53.54 H new ATOM 0 HB3 HIS A 107 -10.701 9.623 14.383 1.00 53.54 H new ATOM 0 HD2 HIS A 107 -12.549 8.624 17.742 1.00 60.31 H new ATOM 0 HE1 HIS A 107 -11.024 12.559 18.092 1.00 2.53 H new ATOM 0 HE2 HIS A 107 -12.131 10.644 19.331 1.00 30.15 H new ATOM 1806 N HIS A 108 -14.323 7.282 13.795 1.00 25.22 N ATOM 1807 CA HIS A 108 -15.356 6.301 14.149 1.00 34.32 C ATOM 1808 C HIS A 108 -14.771 4.888 13.969 1.00 74.30 C ATOM 1809 O HIS A 108 -15.242 4.092 13.152 1.00 60.12 O ATOM 1810 CB HIS A 108 -16.653 6.543 13.309 1.00 24.22 C ATOM 1811 CG HIS A 108 -16.424 6.719 11.826 1.00 11.31 C ATOM 1812 ND1 HIS A 108 -16.113 5.675 10.991 1.00 42.04 N ATOM 1813 CD2 HIS A 108 -16.435 7.827 11.045 1.00 52.22 C ATOM 1814 CE1 HIS A 108 -15.935 6.126 9.764 1.00 23.43 C ATOM 1815 NE2 HIS A 108 -16.124 7.428 9.767 1.00 1.24 N ATOM 0 H HIS A 108 -13.971 7.171 12.844 1.00 25.22 H new ATOM 0 HA HIS A 108 -15.652 6.411 15.192 1.00 34.32 H new ATOM 0 HB2 HIS A 108 -17.329 5.702 13.461 1.00 24.22 H new ATOM 0 HB3 HIS A 108 -17.157 7.430 13.692 1.00 24.22 H new ATOM 0 HD1 HIS A 108 -16.032 4.699 11.276 1.00 42.04 H new ATOM 0 HD2 HIS A 108 -16.648 8.836 11.367 1.00 52.22 H new ATOM 0 HE1 HIS A 108 -15.678 5.528 8.903 1.00 23.43 H new ATOM 1824 N HIS A 109 -13.691 4.604 14.733 1.00 11.30 N ATOM 1825 CA HIS A 109 -12.996 3.303 14.684 1.00 12.32 C ATOM 1826 C HIS A 109 -13.877 2.219 15.320 1.00 53.43 C ATOM 1827 O HIS A 109 -14.633 2.500 16.257 1.00 60.25 O ATOM 1828 CB HIS A 109 -11.600 3.363 15.405 1.00 65.34 C ATOM 1829 CG HIS A 109 -11.604 3.089 16.902 1.00 14.33 C ATOM 1830 ND1 HIS A 109 -11.923 4.040 17.842 1.00 15.43 N ATOM 1831 CD2 HIS A 109 -11.344 1.948 17.607 1.00 14.42 C ATOM 1832 CE1 HIS A 109 -11.869 3.509 19.051 1.00 32.13 C ATOM 1833 NE2 HIS A 109 -11.527 2.243 18.933 1.00 21.34 N ATOM 0 H HIS A 109 -13.282 5.265 15.394 1.00 11.30 H new ATOM 0 HA HIS A 109 -12.815 3.057 13.638 1.00 12.32 H new ATOM 0 HB2 HIS A 109 -10.936 2.643 14.927 1.00 65.34 H new ATOM 0 HB3 HIS A 109 -11.171 4.351 15.239 1.00 65.34 H new ATOM 0 HD2 HIS A 109 -11.050 0.993 17.197 1.00 14.42 H new ATOM 0 HE1 HIS A 109 -12.071 4.025 19.978 1.00 32.13 H new ATOM 0 HE2 HIS A 109 -11.416 1.586 19.705 1.00 21.34 H new ATOM 1842 N HIS A 110 -13.788 0.993 14.801 1.00 21.53 N ATOM 1843 CA HIS A 110 -14.442 -0.180 15.394 1.00 30.13 C ATOM 1844 C HIS A 110 -13.394 -1.309 15.487 1.00 74.33 C ATOM 1845 O HIS A 110 -13.205 -2.046 14.502 1.00 72.41 O ATOM 1846 CB HIS A 110 -15.699 -0.600 14.570 1.00 44.50 C ATOM 1847 CG HIS A 110 -16.876 0.342 14.690 1.00 12.34 C ATOM 1848 ND1 HIS A 110 -17.994 0.055 15.442 1.00 23.30 N ATOM 1849 CD2 HIS A 110 -17.103 1.564 14.147 1.00 34.12 C ATOM 1850 CE1 HIS A 110 -18.858 1.044 15.339 1.00 20.44 C ATOM 1851 NE2 HIS A 110 -18.340 1.975 14.565 1.00 44.21 N ATOM 1852 OXT HIS A 110 -12.721 -1.414 16.532 1.00 38.03 O ATOM 0 H HIS A 110 -13.259 0.783 13.955 1.00 21.53 H new ATOM 0 HA HIS A 110 -14.808 0.051 16.394 1.00 30.13 H new ATOM 0 HB2 HIS A 110 -15.419 -0.678 13.520 1.00 44.50 H new ATOM 0 HB3 HIS A 110 -16.012 -1.594 14.891 1.00 44.50 H new ATOM 0 HD2 HIS A 110 -16.431 2.112 13.503 1.00 34.12 H new ATOM 0 HE1 HIS A 110 -19.829 1.085 15.810 1.00 20.44 H new ATOM 0 HE2 HIS A 110 -18.787 2.858 14.318 1.00 44.21 H new TER 1861 HIS A 110