USER MOD reduce.3.24.130724 H: found=0, std=0, add=861, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 861 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 84 THR OG1 : rot 180:sc= -0.307 USER MOD Set 1.2: A 85 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 49 SER OG : rot 180:sc= 0.185 USER MOD Set 2.2: A 50 GLN : amide:sc= 0.199 X(o=0.38,f=0.015) USER MOD Single : A 1 MET CE :methyl -132:sc= 0 (180deg=-1.58) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 TYR OH : rot -126:sc= 0.0701 USER MOD Single : A 9 SER OG : rot 180:sc= -0.279 USER MOD Single : A 10 ASN : amide:sc= -0.79 K(o=-0.79,f=0) USER MOD Single : A 12 LYS NZ :NH3+ -156:sc= 1.24 (180deg=0.357) USER MOD Single : A 13 LYS NZ :NH3+ 153:sc= -2.49 (180deg=-4.13!) USER MOD Single : A 20 LYS NZ :NH3+ 168:sc= -0.0151 (180deg=-0.154) USER MOD Single : A 21 MET CE :methyl -140:sc= -0.453 (180deg=-1.73) USER MOD Single : A 24 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0879) USER MOD Single : A 26 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 THR OG1 : rot 35:sc= 0.436 USER MOD Single : A 33 LYS NZ :NH3+ 134:sc= 1.15 (180deg=0.181) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0.195 USER MOD Single : A 39 LYS NZ :NH3+ 145:sc= 1.26 (180deg=0.648) USER MOD Single : A 40 LYS NZ :NH3+ 137:sc= -0.143 (180deg=-0.671) USER MOD Single : A 41 TYR OH : rot 65:sc= 0.859 USER MOD Single : A 47 LYS NZ :NH3+ 172:sc= -0.0147 (180deg=-0.12) USER MOD Single : A 51 ASN : amide:sc= -0.065 X(o=-0.065,f=0) USER MOD Single : A 53 LYS NZ :NH3+ 173:sc= 0.707 (180deg=0.181) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc=0.000468 X(o=0.00047,f=-0.19) USER MOD Single : A 66 LYS NZ :NH3+ 176:sc= -2.58! (180deg=-2.76!) USER MOD Single : A 68 LYS NZ :NH3+ 173:sc= -1.51 (180deg=-1.59) USER MOD Single : A 72 GLN : amide:sc= -1.1 K(o=-1.1,f=-0.0063) USER MOD Single : A 73 LYS NZ :NH3+ -165:sc= -3.68! (180deg=-4.79!) USER MOD Single : A 74 MET CE :methyl -160:sc= -0.0642 (180deg=-0.893) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ -162:sc= 0.791 (180deg=0.173) USER MOD Single : A 90 LYS NZ :NH3+ 176:sc= 1.17 (180deg=1.09) USER MOD Single : A 94 LYS NZ :NH3+ 148:sc= 1.08 (180deg=0.148) USER MOD Single : A 97 SER OG : rot -33:sc= 1.23 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -0.633 16.790 4.483 1.00 71.30 N ATOM 2 CA MET A 1 -1.161 15.608 3.754 1.00 30.30 C ATOM 3 C MET A 1 -0.398 14.343 4.176 1.00 64.23 C ATOM 4 O MET A 1 0.824 14.282 4.051 1.00 0.21 O ATOM 5 CB MET A 1 -1.029 15.829 2.239 1.00 24.43 C ATOM 6 CG MET A 1 -1.911 14.913 1.402 1.00 52.21 C ATOM 7 SD MET A 1 -3.666 15.204 1.702 1.00 11.24 S ATOM 8 CE MET A 1 -4.409 14.068 0.538 1.00 11.43 C ATOM 0 H1 MET A 1 -1.156 17.640 4.190 1.00 71.30 H new ATOM 0 H2 MET A 1 -0.749 16.647 5.507 1.00 71.30 H new ATOM 0 H3 MET A 1 0.376 16.911 4.263 1.00 71.30 H new ATOM 0 HA MET A 1 -2.214 15.478 4.002 1.00 30.30 H new ATOM 0 HB2 MET A 1 -1.278 16.865 2.010 1.00 24.43 H new ATOM 0 HB3 MET A 1 0.011 15.680 1.949 1.00 24.43 H new ATOM 0 HG2 MET A 1 -1.694 15.067 0.345 1.00 52.21 H new ATOM 0 HG3 MET A 1 -1.672 13.874 1.628 1.00 52.21 H new ATOM 0 HE1 MET A 1 -5.186 14.583 -0.027 1.00 11.43 H new ATOM 0 HE2 MET A 1 -3.646 13.698 -0.147 1.00 11.43 H new ATOM 0 HE3 MET A 1 -4.848 13.229 1.078 1.00 11.43 H new ATOM 20 N LEU A 2 -1.116 13.343 4.685 1.00 54.41 N ATOM 21 CA LEU A 2 -0.485 12.110 5.176 1.00 11.21 C ATOM 22 C LEU A 2 -0.321 11.078 4.048 1.00 75.05 C ATOM 23 O LEU A 2 -1.263 10.805 3.302 1.00 72.04 O ATOM 24 CB LEU A 2 -1.306 11.496 6.323 1.00 64.12 C ATOM 25 CG LEU A 2 -1.562 12.413 7.538 1.00 13.31 C ATOM 26 CD1 LEU A 2 -2.752 13.338 7.294 1.00 62.24 C ATOM 27 CD2 LEU A 2 -1.772 11.581 8.799 1.00 30.32 C ATOM 0 H LEU A 2 -2.132 13.358 4.770 1.00 54.41 H new ATOM 0 HA LEU A 2 0.504 12.377 5.548 1.00 11.21 H new ATOM 0 HB2 LEU A 2 -2.269 11.177 5.924 1.00 64.12 H new ATOM 0 HB3 LEU A 2 -0.793 10.600 6.671 1.00 64.12 H new ATOM 0 HG LEU A 2 -0.681 13.039 7.679 1.00 13.31 H new ATOM 0 HD11 LEU A 2 -2.906 13.971 8.168 1.00 62.24 H new ATOM 0 HD12 LEU A 2 -2.554 13.963 6.423 1.00 62.24 H new ATOM 0 HD13 LEU A 2 -3.646 12.741 7.116 1.00 62.24 H new ATOM 0 HD21 LEU A 2 -1.951 12.243 9.646 1.00 30.32 H new ATOM 0 HD22 LEU A 2 -2.632 10.925 8.663 1.00 30.32 H new ATOM 0 HD23 LEU A 2 -0.883 10.980 8.990 1.00 30.32 H new ATOM 39 N LEU A 3 0.875 10.499 3.939 1.00 40.02 N ATOM 40 CA LEU A 3 1.184 9.533 2.876 1.00 11.01 C ATOM 41 C LEU A 3 1.648 8.179 3.452 1.00 21.53 C ATOM 42 O LEU A 3 2.677 8.092 4.127 1.00 42.41 O ATOM 43 CB LEU A 3 2.266 10.115 1.954 1.00 60.12 C ATOM 44 CG LEU A 3 1.887 11.427 1.239 1.00 15.02 C ATOM 45 CD1 LEU A 3 3.067 11.980 0.443 1.00 33.43 C ATOM 46 CD2 LEU A 3 0.677 11.220 0.331 1.00 42.22 C ATOM 0 H LEU A 3 1.651 10.681 4.575 1.00 40.02 H new ATOM 0 HA LEU A 3 0.273 9.351 2.307 1.00 11.01 H new ATOM 0 HB2 LEU A 3 3.167 10.289 2.543 1.00 60.12 H new ATOM 0 HB3 LEU A 3 2.517 9.369 1.200 1.00 60.12 H new ATOM 0 HG LEU A 3 1.622 12.158 2.003 1.00 15.02 H new ATOM 0 HD11 LEU A 3 2.771 12.906 -0.051 1.00 33.43 H new ATOM 0 HD12 LEU A 3 3.900 12.179 1.118 1.00 33.43 H new ATOM 0 HD13 LEU A 3 3.374 11.251 -0.307 1.00 33.43 H new ATOM 0 HD21 LEU A 3 0.428 12.159 -0.163 1.00 42.22 H new ATOM 0 HD22 LEU A 3 0.911 10.466 -0.420 1.00 42.22 H new ATOM 0 HD23 LEU A 3 -0.173 10.887 0.927 1.00 42.22 H new ATOM 58 N TYR A 4 0.879 7.124 3.176 1.00 51.31 N ATOM 59 CA TYR A 4 1.178 5.774 3.677 1.00 35.12 C ATOM 60 C TYR A 4 1.219 4.745 2.536 1.00 53.23 C ATOM 61 O TYR A 4 0.497 4.870 1.546 1.00 40.11 O ATOM 62 CB TYR A 4 0.131 5.357 4.720 1.00 61.43 C ATOM 63 CG TYR A 4 0.246 6.112 6.032 1.00 72.54 C ATOM 64 CD1 TYR A 4 -0.405 7.326 6.231 1.00 21.13 C ATOM 65 CD2 TYR A 4 1.015 5.606 7.071 1.00 13.15 C ATOM 66 CE1 TYR A 4 -0.290 8.010 7.429 1.00 0.25 C ATOM 67 CE2 TYR A 4 1.131 6.280 8.267 1.00 14.41 C ATOM 68 CZ TYR A 4 0.479 7.480 8.443 1.00 13.33 C ATOM 69 OH TYR A 4 0.612 8.160 9.636 1.00 63.11 O ATOM 0 H TYR A 4 0.037 7.176 2.603 1.00 51.31 H new ATOM 0 HA TYR A 4 2.164 5.801 4.141 1.00 35.12 H new ATOM 0 HB2 TYR A 4 -0.865 5.515 4.306 1.00 61.43 H new ATOM 0 HB3 TYR A 4 0.230 4.289 4.915 1.00 61.43 H new ATOM 0 HD1 TYR A 4 -1.010 7.741 5.438 1.00 21.13 H new ATOM 0 HD2 TYR A 4 1.532 4.667 6.939 1.00 13.15 H new ATOM 0 HE1 TYR A 4 -0.799 8.952 7.568 1.00 0.25 H new ATOM 0 HE2 TYR A 4 1.732 5.868 9.064 1.00 14.41 H new ATOM 0 HH TYR A 4 1.563 8.274 9.843 1.00 63.11 H new ATOM 79 N VAL A 5 2.067 3.725 2.682 1.00 71.41 N ATOM 80 CA VAL A 5 2.202 2.670 1.670 1.00 13.24 C ATOM 81 C VAL A 5 2.048 1.267 2.291 1.00 1.53 C ATOM 82 O VAL A 5 2.762 0.906 3.225 1.00 15.34 O ATOM 83 CB VAL A 5 3.577 2.755 0.951 1.00 32.24 C ATOM 84 CG1 VAL A 5 3.713 1.657 -0.103 1.00 34.41 C ATOM 85 CG2 VAL A 5 3.783 4.135 0.323 1.00 21.42 C ATOM 0 H VAL A 5 2.673 3.605 3.493 1.00 71.41 H new ATOM 0 HA VAL A 5 1.404 2.827 0.945 1.00 13.24 H new ATOM 0 HB VAL A 5 4.354 2.604 1.700 1.00 32.24 H new ATOM 0 HG11 VAL A 5 4.684 1.739 -0.591 1.00 34.41 H new ATOM 0 HG12 VAL A 5 3.629 0.681 0.375 1.00 34.41 H new ATOM 0 HG13 VAL A 5 2.923 1.766 -0.846 1.00 34.41 H new ATOM 0 HG21 VAL A 5 4.753 4.168 -0.174 1.00 21.42 H new ATOM 0 HG22 VAL A 5 2.995 4.324 -0.406 1.00 21.42 H new ATOM 0 HG23 VAL A 5 3.748 4.898 1.101 1.00 21.42 H new ATOM 95 N LEU A 6 1.102 0.489 1.770 1.00 20.11 N ATOM 96 CA LEU A 6 0.911 -0.907 2.186 1.00 1.44 C ATOM 97 C LEU A 6 1.367 -1.865 1.075 1.00 13.31 C ATOM 98 O LEU A 6 1.001 -1.693 -0.086 1.00 41.34 O ATOM 99 CB LEU A 6 -0.568 -1.170 2.511 1.00 55.15 C ATOM 100 CG LEU A 6 -1.169 -0.311 3.639 1.00 22.20 C ATOM 101 CD1 LEU A 6 -2.637 -0.671 3.862 1.00 20.20 C ATOM 102 CD2 LEU A 6 -0.369 -0.474 4.932 1.00 43.23 C ATOM 0 H LEU A 6 0.448 0.801 1.052 1.00 20.11 H new ATOM 0 HA LEU A 6 1.512 -1.082 3.078 1.00 1.44 H new ATOM 0 HB2 LEU A 6 -1.154 -1.009 1.606 1.00 55.15 H new ATOM 0 HB3 LEU A 6 -0.680 -2.220 2.781 1.00 55.15 H new ATOM 0 HG LEU A 6 -1.114 0.735 3.338 1.00 22.20 H new ATOM 0 HD11 LEU A 6 -3.045 -0.054 4.663 1.00 20.20 H new ATOM 0 HD12 LEU A 6 -3.199 -0.494 2.945 1.00 20.20 H new ATOM 0 HD13 LEU A 6 -2.716 -1.723 4.138 1.00 20.20 H new ATOM 0 HD21 LEU A 6 -0.812 0.142 5.714 1.00 43.23 H new ATOM 0 HD22 LEU A 6 -0.385 -1.519 5.241 1.00 43.23 H new ATOM 0 HD23 LEU A 6 0.662 -0.161 4.764 1.00 43.23 H new ATOM 114 N ILE A 7 2.162 -2.870 1.425 1.00 74.12 N ATOM 115 CA ILE A 7 2.644 -3.842 0.435 1.00 4.24 C ATOM 116 C ILE A 7 2.223 -5.278 0.793 1.00 15.03 C ATOM 117 O ILE A 7 2.369 -5.715 1.937 1.00 40.01 O ATOM 118 CB ILE A 7 4.188 -3.773 0.278 1.00 32.22 C ATOM 119 CG1 ILE A 7 4.666 -4.741 -0.820 1.00 53.31 C ATOM 120 CG2 ILE A 7 4.886 -4.069 1.606 1.00 60.30 C ATOM 121 CD1 ILE A 7 6.157 -4.684 -1.085 1.00 13.31 C ATOM 0 H ILE A 7 2.487 -3.037 2.377 1.00 74.12 H new ATOM 0 HA ILE A 7 2.182 -3.574 -0.515 1.00 4.24 H new ATOM 0 HB ILE A 7 4.454 -2.759 -0.022 1.00 32.22 H new ATOM 0 HG12 ILE A 7 4.396 -5.758 -0.536 1.00 53.31 H new ATOM 0 HG13 ILE A 7 4.134 -4.517 -1.745 1.00 53.31 H new ATOM 0 HG21 ILE A 7 5.966 -4.015 1.469 1.00 60.30 H new ATOM 0 HG22 ILE A 7 4.577 -3.336 2.351 1.00 60.30 H new ATOM 0 HG23 ILE A 7 4.613 -5.068 1.946 1.00 60.30 H new ATOM 0 HD11 ILE A 7 6.414 -5.394 -1.871 1.00 13.31 H new ATOM 0 HD12 ILE A 7 6.432 -3.678 -1.401 1.00 13.31 H new ATOM 0 HD13 ILE A 7 6.698 -4.939 -0.174 1.00 13.31 H new ATOM 133 N ILE A 8 1.678 -5.997 -0.189 1.00 74.33 N ATOM 134 CA ILE A 8 1.283 -7.399 -0.010 1.00 14.22 C ATOM 135 C ILE A 8 2.066 -8.310 -0.970 1.00 34.32 C ATOM 136 O ILE A 8 1.781 -8.360 -2.169 1.00 34.41 O ATOM 137 CB ILE A 8 -0.237 -7.589 -0.263 1.00 54.42 C ATOM 138 CG1 ILE A 8 -1.049 -6.613 0.602 1.00 3.31 C ATOM 139 CG2 ILE A 8 -0.653 -9.035 0.015 1.00 32.02 C ATOM 140 CD1 ILE A 8 -2.544 -6.671 0.363 1.00 2.40 C ATOM 0 H ILE A 8 1.498 -5.630 -1.124 1.00 74.33 H new ATOM 0 HA ILE A 8 1.510 -7.672 1.021 1.00 14.22 H new ATOM 0 HB ILE A 8 -0.443 -7.373 -1.311 1.00 54.42 H new ATOM 0 HG12 ILE A 8 -0.851 -6.825 1.653 1.00 3.31 H new ATOM 0 HG13 ILE A 8 -0.700 -5.598 0.410 1.00 3.31 H new ATOM 0 HG21 ILE A 8 -1.722 -9.148 -0.168 1.00 32.02 H new ATOM 0 HG22 ILE A 8 -0.100 -9.706 -0.642 1.00 32.02 H new ATOM 0 HG23 ILE A 8 -0.435 -9.283 1.054 1.00 32.02 H new ATOM 0 HD11 ILE A 8 -3.044 -5.952 1.012 1.00 2.40 H new ATOM 0 HD12 ILE A 8 -2.756 -6.428 -0.678 1.00 2.40 H new ATOM 0 HD13 ILE A 8 -2.909 -7.674 0.583 1.00 2.40 H new ATOM 152 N SER A 9 3.056 -9.024 -0.439 1.00 24.42 N ATOM 153 CA SER A 9 3.868 -9.945 -1.249 1.00 13.24 C ATOM 154 C SER A 9 4.612 -10.956 -0.374 1.00 42.44 C ATOM 155 O SER A 9 4.612 -10.857 0.855 1.00 63.23 O ATOM 156 CB SER A 9 4.882 -9.171 -2.111 1.00 41.02 C ATOM 157 OG SER A 9 5.668 -10.054 -2.905 1.00 32.40 O ATOM 0 H SER A 9 3.319 -8.987 0.546 1.00 24.42 H new ATOM 0 HA SER A 9 3.182 -10.487 -1.900 1.00 13.24 H new ATOM 0 HB2 SER A 9 4.353 -8.471 -2.758 1.00 41.02 H new ATOM 0 HB3 SER A 9 5.534 -8.580 -1.467 1.00 41.02 H new ATOM 0 HG SER A 9 6.301 -9.534 -3.443 1.00 32.40 H new ATOM 163 N ASN A 10 5.246 -11.929 -1.017 1.00 32.34 N ATOM 164 CA ASN A 10 6.072 -12.918 -0.318 1.00 42.11 C ATOM 165 C ASN A 10 7.550 -12.781 -0.723 1.00 11.45 C ATOM 166 O ASN A 10 8.447 -13.235 -0.008 1.00 73.34 O ATOM 167 CB ASN A 10 5.571 -14.337 -0.614 1.00 1.13 C ATOM 168 CG ASN A 10 4.122 -14.555 -0.197 1.00 60.21 C ATOM 169 OD1 ASN A 10 3.402 -15.341 -0.804 1.00 30.05 O ATOM 170 ND2 ASN A 10 3.679 -13.870 0.842 1.00 4.03 N ATOM 0 H ASN A 10 5.206 -12.058 -2.028 1.00 32.34 H new ATOM 0 HA ASN A 10 5.991 -12.733 0.753 1.00 42.11 H new ATOM 0 HB2 ASN A 10 5.670 -14.536 -1.681 1.00 1.13 H new ATOM 0 HB3 ASN A 10 6.205 -15.056 -0.095 1.00 1.13 H new ATOM 0 HD21 ASN A 10 2.716 -13.988 1.158 1.00 4.03 H new ATOM 0 HD22 ASN A 10 4.300 -13.223 1.328 1.00 4.03 H new ATOM 177 N ASP A 11 7.792 -12.142 -1.869 1.00 42.03 N ATOM 178 CA ASP A 11 9.149 -11.935 -2.377 1.00 73.51 C ATOM 179 C ASP A 11 9.942 -10.958 -1.495 1.00 4.32 C ATOM 180 O ASP A 11 9.660 -9.760 -1.466 1.00 52.23 O ATOM 181 CB ASP A 11 9.095 -11.429 -3.817 1.00 12.42 C ATOM 182 CG ASP A 11 8.507 -12.459 -4.758 1.00 74.04 C ATOM 183 OD1 ASP A 11 7.269 -12.595 -4.799 1.00 32.41 O ATOM 184 OD2 ASP A 11 9.284 -13.140 -5.461 1.00 14.45 O ATOM 0 H ASP A 11 7.060 -11.757 -2.466 1.00 42.03 H new ATOM 0 HA ASP A 11 9.667 -12.894 -2.352 1.00 73.51 H new ATOM 0 HB2 ASP A 11 8.499 -10.517 -3.859 1.00 12.42 H new ATOM 0 HB3 ASP A 11 10.100 -11.168 -4.148 1.00 12.42 H new ATOM 189 N LYS A 12 10.946 -11.479 -0.798 1.00 72.14 N ATOM 190 CA LYS A 12 11.708 -10.698 0.184 1.00 75.44 C ATOM 191 C LYS A 12 12.385 -9.464 -0.434 1.00 44.45 C ATOM 192 O LYS A 12 12.206 -8.348 0.050 1.00 63.13 O ATOM 193 CB LYS A 12 12.752 -11.592 0.864 1.00 73.53 C ATOM 194 CG LYS A 12 12.151 -12.838 1.509 1.00 32.43 C ATOM 195 CD LYS A 12 11.121 -12.488 2.583 1.00 1.32 C ATOM 196 CE LYS A 12 10.423 -13.731 3.128 1.00 41.41 C ATOM 197 NZ LYS A 12 9.591 -14.411 2.093 1.00 72.53 N ATOM 0 H LYS A 12 11.257 -12.446 -0.892 1.00 72.14 H new ATOM 0 HA LYS A 12 10.998 -10.330 0.924 1.00 75.44 H new ATOM 0 HB2 LYS A 12 13.496 -11.895 0.127 1.00 73.53 H new ATOM 0 HB3 LYS A 12 13.275 -11.013 1.625 1.00 73.53 H new ATOM 0 HG2 LYS A 12 11.680 -13.452 0.741 1.00 32.43 H new ATOM 0 HG3 LYS A 12 12.947 -13.437 1.952 1.00 32.43 H new ATOM 0 HD2 LYS A 12 11.613 -11.960 3.400 1.00 1.32 H new ATOM 0 HD3 LYS A 12 10.378 -11.808 2.166 1.00 1.32 H new ATOM 0 HE2 LYS A 12 11.170 -14.428 3.506 1.00 41.41 H new ATOM 0 HE3 LYS A 12 9.792 -13.451 3.972 1.00 41.41 H new ATOM 0 HZ1 LYS A 12 8.846 -14.968 2.558 1.00 72.53 H new ATOM 0 HZ2 LYS A 12 9.155 -13.698 1.474 1.00 72.53 H new ATOM 0 HZ3 LYS A 12 10.191 -15.042 1.525 1.00 72.53 H new ATOM 211 N LYS A 13 13.158 -9.661 -1.502 1.00 52.50 N ATOM 212 CA LYS A 13 13.878 -8.549 -2.140 1.00 54.31 C ATOM 213 C LYS A 13 12.905 -7.486 -2.677 1.00 24.40 C ATOM 214 O LYS A 13 13.109 -6.292 -2.470 1.00 62.34 O ATOM 215 CB LYS A 13 14.788 -9.063 -3.267 1.00 14.13 C ATOM 216 CG LYS A 13 15.830 -10.078 -2.801 1.00 41.53 C ATOM 217 CD LYS A 13 16.774 -9.515 -1.730 1.00 31.14 C ATOM 218 CE LYS A 13 17.793 -8.519 -2.292 1.00 73.21 C ATOM 219 NZ LYS A 13 17.198 -7.199 -2.625 1.00 14.22 N ATOM 0 H LYS A 13 13.304 -10.569 -1.943 1.00 52.50 H new ATOM 0 HA LYS A 13 14.501 -8.080 -1.378 1.00 54.31 H new ATOM 0 HB2 LYS A 13 14.171 -9.519 -4.041 1.00 14.13 H new ATOM 0 HB3 LYS A 13 15.299 -8.216 -3.725 1.00 14.13 H new ATOM 0 HG2 LYS A 13 15.322 -10.957 -2.405 1.00 41.53 H new ATOM 0 HG3 LYS A 13 16.417 -10.408 -3.658 1.00 41.53 H new ATOM 0 HD2 LYS A 13 16.184 -9.024 -0.956 1.00 31.14 H new ATOM 0 HD3 LYS A 13 17.305 -10.339 -1.253 1.00 31.14 H new ATOM 0 HE2 LYS A 13 18.592 -8.377 -1.564 1.00 73.21 H new ATOM 0 HE3 LYS A 13 18.249 -8.941 -3.188 1.00 73.21 H new ATOM 0 HZ1 LYS A 13 17.928 -6.462 -2.555 1.00 14.22 H new ATOM 0 HZ2 LYS A 13 16.821 -7.223 -3.594 1.00 14.22 H new ATOM 0 HZ3 LYS A 13 16.428 -6.987 -1.959 1.00 14.22 H new ATOM 233 N LEU A 14 11.840 -7.932 -3.344 1.00 71.10 N ATOM 234 CA LEU A 14 10.792 -7.023 -3.831 1.00 42.52 C ATOM 235 C LEU A 14 10.274 -6.130 -2.686 1.00 22.50 C ATOM 236 O LEU A 14 10.069 -4.927 -2.861 1.00 63.12 O ATOM 237 CB LEU A 14 9.645 -7.848 -4.459 1.00 14.42 C ATOM 238 CG LEU A 14 8.498 -7.049 -5.126 1.00 25.15 C ATOM 239 CD1 LEU A 14 7.799 -7.902 -6.186 1.00 70.44 C ATOM 240 CD2 LEU A 14 7.473 -6.566 -4.095 1.00 74.35 C ATOM 0 H LEU A 14 11.677 -8.915 -3.561 1.00 71.10 H new ATOM 0 HA LEU A 14 11.210 -6.368 -4.595 1.00 42.52 H new ATOM 0 HB2 LEU A 14 10.075 -8.514 -5.207 1.00 14.42 H new ATOM 0 HB3 LEU A 14 9.213 -8.478 -3.681 1.00 14.42 H new ATOM 0 HG LEU A 14 8.943 -6.174 -5.600 1.00 25.15 H new ATOM 0 HD11 LEU A 14 6.996 -7.326 -6.645 1.00 70.44 H new ATOM 0 HD12 LEU A 14 8.519 -8.194 -6.951 1.00 70.44 H new ATOM 0 HD13 LEU A 14 7.384 -8.795 -5.719 1.00 70.44 H new ATOM 0 HD21 LEU A 14 6.683 -6.009 -4.600 1.00 74.35 H new ATOM 0 HD22 LEU A 14 7.040 -7.425 -3.582 1.00 74.35 H new ATOM 0 HD23 LEU A 14 7.965 -5.919 -3.368 1.00 74.35 H new ATOM 252 N ILE A 15 10.080 -6.734 -1.515 1.00 52.22 N ATOM 253 CA ILE A 15 9.637 -6.005 -0.323 1.00 31.42 C ATOM 254 C ILE A 15 10.727 -5.048 0.200 1.00 54.22 C ATOM 255 O ILE A 15 10.443 -3.898 0.545 1.00 50.10 O ATOM 256 CB ILE A 15 9.225 -6.995 0.800 1.00 20.41 C ATOM 257 CG1 ILE A 15 8.025 -7.845 0.344 1.00 13.04 C ATOM 258 CG2 ILE A 15 8.902 -6.255 2.099 1.00 70.24 C ATOM 259 CD1 ILE A 15 7.601 -8.895 1.351 1.00 33.21 C ATOM 0 H ILE A 15 10.223 -7.733 -1.364 1.00 52.22 H new ATOM 0 HA ILE A 15 8.773 -5.407 -0.613 1.00 31.42 H new ATOM 0 HB ILE A 15 10.068 -7.657 0.998 1.00 20.41 H new ATOM 0 HG12 ILE A 15 7.180 -7.186 0.143 1.00 13.04 H new ATOM 0 HG13 ILE A 15 8.276 -8.337 -0.596 1.00 13.04 H new ATOM 0 HG21 ILE A 15 8.617 -6.975 2.866 1.00 70.24 H new ATOM 0 HG22 ILE A 15 9.780 -5.700 2.430 1.00 70.24 H new ATOM 0 HG23 ILE A 15 8.078 -5.562 1.928 1.00 70.24 H new ATOM 0 HD11 ILE A 15 6.751 -9.453 0.959 1.00 33.21 H new ATOM 0 HD12 ILE A 15 8.430 -9.579 1.535 1.00 33.21 H new ATOM 0 HD13 ILE A 15 7.317 -8.410 2.285 1.00 33.21 H new ATOM 271 N GLU A 16 11.973 -5.520 0.247 1.00 62.32 N ATOM 272 CA GLU A 16 13.086 -4.719 0.777 1.00 14.10 C ATOM 273 C GLU A 16 13.376 -3.486 -0.090 1.00 72.24 C ATOM 274 O GLU A 16 13.499 -2.373 0.433 1.00 74.33 O ATOM 275 CB GLU A 16 14.353 -5.576 0.924 1.00 61.33 C ATOM 276 CG GLU A 16 14.203 -6.732 1.912 1.00 41.52 C ATOM 277 CD GLU A 16 13.728 -6.282 3.290 1.00 21.34 C ATOM 278 OE1 GLU A 16 14.565 -5.815 4.097 1.00 22.25 O ATOM 279 OE2 GLU A 16 12.516 -6.405 3.578 1.00 11.35 O ATOM 0 H GLU A 16 12.241 -6.451 -0.074 1.00 62.32 H new ATOM 0 HA GLU A 16 12.782 -4.364 1.762 1.00 14.10 H new ATOM 0 HB2 GLU A 16 14.624 -5.977 -0.052 1.00 61.33 H new ATOM 0 HB3 GLU A 16 15.176 -4.939 1.247 1.00 61.33 H new ATOM 0 HG2 GLU A 16 13.496 -7.457 1.509 1.00 41.52 H new ATOM 0 HG3 GLU A 16 15.161 -7.243 2.013 1.00 41.52 H new ATOM 286 N GLU A 17 13.486 -3.672 -1.405 1.00 72.10 N ATOM 287 CA GLU A 17 13.682 -2.545 -2.325 1.00 24.12 C ATOM 288 C GLU A 17 12.527 -1.540 -2.234 1.00 75.32 C ATOM 289 O GLU A 17 12.731 -0.331 -2.371 1.00 72.44 O ATOM 290 CB GLU A 17 13.851 -3.029 -3.775 1.00 60.34 C ATOM 291 CG GLU A 17 15.260 -3.516 -4.116 1.00 22.11 C ATOM 292 CD GLU A 17 15.632 -4.841 -3.462 1.00 51.23 C ATOM 293 OE1 GLU A 17 16.005 -4.848 -2.269 1.00 20.45 O ATOM 294 OE2 GLU A 17 15.582 -5.883 -4.154 1.00 13.14 O ATOM 0 H GLU A 17 13.443 -4.585 -1.858 1.00 72.10 H new ATOM 0 HA GLU A 17 14.599 -2.040 -2.022 1.00 24.12 H new ATOM 0 HB2 GLU A 17 13.145 -3.838 -3.960 1.00 60.34 H new ATOM 0 HB3 GLU A 17 13.587 -2.215 -4.450 1.00 60.34 H new ATOM 0 HG2 GLU A 17 15.346 -3.620 -5.198 1.00 22.11 H new ATOM 0 HG3 GLU A 17 15.980 -2.757 -3.810 1.00 22.11 H new ATOM 301 N ALA A 18 11.316 -2.044 -2.001 1.00 1.22 N ATOM 302 CA ALA A 18 10.158 -1.180 -1.764 1.00 73.13 C ATOM 303 C ALA A 18 10.387 -0.293 -0.528 1.00 74.25 C ATOM 304 O ALA A 18 10.117 0.908 -0.553 1.00 11.21 O ATOM 305 CB ALA A 18 8.893 -2.017 -1.599 1.00 1.43 C ATOM 0 H ALA A 18 11.110 -3.043 -1.971 1.00 1.22 H new ATOM 0 HA ALA A 18 10.030 -0.531 -2.630 1.00 73.13 H new ATOM 0 HB1 ALA A 18 8.042 -1.359 -1.424 1.00 1.43 H new ATOM 0 HB2 ALA A 18 8.721 -2.599 -2.504 1.00 1.43 H new ATOM 0 HB3 ALA A 18 9.011 -2.692 -0.751 1.00 1.43 H new ATOM 311 N ARG A 19 10.910 -0.892 0.546 1.00 71.20 N ATOM 312 CA ARG A 19 11.248 -0.136 1.759 1.00 2.44 C ATOM 313 C ARG A 19 12.306 0.936 1.448 1.00 50.25 C ATOM 314 O ARG A 19 12.185 2.087 1.866 1.00 21.23 O ATOM 315 CB ARG A 19 11.778 -1.070 2.860 1.00 21.30 C ATOM 316 CG ARG A 19 10.892 -2.279 3.146 1.00 65.51 C ATOM 317 CD ARG A 19 11.438 -3.108 4.306 1.00 10.15 C ATOM 318 NE ARG A 19 10.796 -4.418 4.407 1.00 51.14 N ATOM 319 CZ ARG A 19 10.079 -4.820 5.425 1.00 22.44 C ATOM 320 NH1 ARG A 19 9.897 -4.055 6.454 1.00 42.44 N ATOM 321 NH2 ARG A 19 9.566 -6.010 5.421 1.00 55.13 N ATOM 0 H ARG A 19 11.108 -1.891 0.602 1.00 71.20 H new ATOM 0 HA ARG A 19 10.337 0.346 2.113 1.00 2.44 H new ATOM 0 HB2 ARG A 19 12.769 -1.422 2.574 1.00 21.30 H new ATOM 0 HB3 ARG A 19 11.896 -0.497 3.779 1.00 21.30 H new ATOM 0 HG2 ARG A 19 9.881 -1.944 3.380 1.00 65.51 H new ATOM 0 HG3 ARG A 19 10.823 -2.901 2.253 1.00 65.51 H new ATOM 0 HD2 ARG A 19 12.512 -3.242 4.179 1.00 10.15 H new ATOM 0 HD3 ARG A 19 11.293 -2.563 5.239 1.00 10.15 H new ATOM 0 HE ARG A 19 10.916 -5.065 3.628 1.00 51.14 H new ATOM 0 HH11 ARG A 19 10.315 -3.125 6.478 1.00 42.44 H new ATOM 0 HH12 ARG A 19 9.335 -4.382 7.240 1.00 42.44 H new ATOM 0 HH21 ARG A 19 9.722 -6.630 4.626 1.00 55.13 H new ATOM 0 HH22 ARG A 19 9.007 -6.327 6.213 1.00 55.13 H new ATOM 335 N LYS A 20 13.335 0.541 0.692 1.00 64.03 N ATOM 336 CA LYS A 20 14.407 1.462 0.284 1.00 61.13 C ATOM 337 C LYS A 20 13.835 2.686 -0.450 1.00 31.24 C ATOM 338 O LYS A 20 14.193 3.826 -0.151 1.00 25.44 O ATOM 339 CB LYS A 20 15.420 0.732 -0.615 1.00 3.32 C ATOM 340 CG LYS A 20 16.039 -0.508 0.031 1.00 72.30 C ATOM 341 CD LYS A 20 16.930 -1.281 -0.943 1.00 55.51 C ATOM 342 CE LYS A 20 18.200 -0.515 -1.297 1.00 52.35 C ATOM 343 NZ LYS A 20 19.101 -0.351 -0.122 1.00 32.33 N ATOM 0 H LYS A 20 13.451 -0.412 0.348 1.00 64.03 H new ATOM 0 HA LYS A 20 14.914 1.811 1.183 1.00 61.13 H new ATOM 0 HB2 LYS A 20 14.925 0.439 -1.541 1.00 3.32 H new ATOM 0 HB3 LYS A 20 16.217 1.425 -0.886 1.00 3.32 H new ATOM 0 HG2 LYS A 20 16.626 -0.209 0.899 1.00 72.30 H new ATOM 0 HG3 LYS A 20 15.246 -1.162 0.393 1.00 72.30 H new ATOM 0 HD2 LYS A 20 17.198 -2.241 -0.503 1.00 55.51 H new ATOM 0 HD3 LYS A 20 16.370 -1.493 -1.854 1.00 55.51 H new ATOM 0 HE2 LYS A 20 18.731 -1.041 -2.090 1.00 52.35 H new ATOM 0 HE3 LYS A 20 17.934 0.467 -1.689 1.00 52.35 H new ATOM 0 HZ1 LYS A 20 20.030 -0.011 -0.442 1.00 32.33 H new ATOM 0 HZ2 LYS A 20 18.689 0.339 0.538 1.00 32.33 H new ATOM 0 HZ3 LYS A 20 19.214 -1.266 0.359 1.00 32.33 H new ATOM 357 N MET A 21 12.935 2.440 -1.401 1.00 42.22 N ATOM 358 CA MET A 21 12.249 3.520 -2.120 1.00 45.11 C ATOM 359 C MET A 21 11.481 4.439 -1.161 1.00 23.54 C ATOM 360 O MET A 21 11.542 5.664 -1.276 1.00 52.40 O ATOM 361 CB MET A 21 11.281 2.938 -3.154 1.00 20.22 C ATOM 362 CG MET A 21 11.972 2.318 -4.356 1.00 50.11 C ATOM 363 SD MET A 21 12.914 3.533 -5.300 1.00 20.43 S ATOM 364 CE MET A 21 11.639 4.742 -5.675 1.00 71.42 C ATOM 0 H MET A 21 12.662 1.502 -1.694 1.00 42.22 H new ATOM 0 HA MET A 21 13.012 4.113 -2.624 1.00 45.11 H new ATOM 0 HB2 MET A 21 10.661 2.182 -2.673 1.00 20.22 H new ATOM 0 HB3 MET A 21 10.612 3.727 -3.498 1.00 20.22 H new ATOM 0 HG2 MET A 21 12.639 1.524 -4.020 1.00 50.11 H new ATOM 0 HG3 MET A 21 11.227 1.856 -5.003 1.00 50.11 H new ATOM 0 HE1 MET A 21 11.766 5.100 -6.697 1.00 71.42 H new ATOM 0 HE2 MET A 21 10.657 4.279 -5.572 1.00 71.42 H new ATOM 0 HE3 MET A 21 11.719 5.581 -4.984 1.00 71.42 H new ATOM 374 N ALA A 22 10.760 3.838 -0.216 1.00 63.31 N ATOM 375 CA ALA A 22 10.003 4.601 0.778 1.00 24.12 C ATOM 376 C ALA A 22 10.922 5.520 1.600 1.00 53.41 C ATOM 377 O ALA A 22 10.561 6.651 1.917 1.00 41.12 O ATOM 378 CB ALA A 22 9.233 3.658 1.696 1.00 43.34 C ATOM 0 H ALA A 22 10.683 2.826 -0.117 1.00 63.31 H new ATOM 0 HA ALA A 22 9.293 5.233 0.245 1.00 24.12 H new ATOM 0 HB1 ALA A 22 8.675 4.240 2.430 1.00 43.34 H new ATOM 0 HB2 ALA A 22 8.540 3.060 1.104 1.00 43.34 H new ATOM 0 HB3 ALA A 22 9.933 3.000 2.211 1.00 43.34 H new ATOM 384 N GLU A 23 12.112 5.024 1.935 1.00 3.33 N ATOM 385 CA GLU A 23 13.108 5.815 2.673 1.00 60.42 C ATOM 386 C GLU A 23 13.521 7.075 1.889 1.00 5.44 C ATOM 387 O GLU A 23 13.620 8.168 2.455 1.00 4.15 O ATOM 388 CB GLU A 23 14.346 4.956 2.980 1.00 43.42 C ATOM 389 CG GLU A 23 14.052 3.702 3.803 1.00 44.50 C ATOM 390 CD GLU A 23 13.449 4.005 5.168 1.00 51.21 C ATOM 391 OE1 GLU A 23 14.181 4.509 6.045 1.00 71.42 O ATOM 392 OE2 GLU A 23 12.249 3.719 5.382 1.00 63.53 O ATOM 0 H GLU A 23 12.415 4.077 1.709 1.00 3.33 H new ATOM 0 HA GLU A 23 12.651 6.136 3.609 1.00 60.42 H new ATOM 0 HB2 GLU A 23 14.810 4.659 2.040 1.00 43.42 H new ATOM 0 HB3 GLU A 23 15.073 5.566 3.516 1.00 43.42 H new ATOM 0 HG2 GLU A 23 13.368 3.062 3.245 1.00 44.50 H new ATOM 0 HG3 GLU A 23 14.976 3.140 3.938 1.00 44.50 H new ATOM 399 N LYS A 24 13.757 6.919 0.585 1.00 52.25 N ATOM 400 CA LYS A 24 14.082 8.060 -0.289 1.00 12.23 C ATOM 401 C LYS A 24 12.887 9.025 -0.421 1.00 31.32 C ATOM 402 O LYS A 24 13.049 10.246 -0.390 1.00 0.51 O ATOM 403 CB LYS A 24 14.511 7.574 -1.689 1.00 54.21 C ATOM 404 CG LYS A 24 15.963 7.100 -1.792 1.00 14.24 C ATOM 405 CD LYS A 24 16.259 5.910 -0.883 1.00 20.34 C ATOM 406 CE LYS A 24 17.654 5.344 -1.125 1.00 63.31 C ATOM 407 NZ LYS A 24 18.717 6.373 -0.958 1.00 11.40 N ATOM 0 H LYS A 24 13.731 6.018 0.107 1.00 52.25 H new ATOM 0 HA LYS A 24 14.911 8.595 0.173 1.00 12.23 H new ATOM 0 HB2 LYS A 24 13.856 6.757 -1.990 1.00 54.21 H new ATOM 0 HB3 LYS A 24 14.358 8.385 -2.401 1.00 54.21 H new ATOM 0 HG2 LYS A 24 16.179 6.826 -2.825 1.00 14.24 H new ATOM 0 HG3 LYS A 24 16.629 7.923 -1.534 1.00 14.24 H new ATOM 0 HD2 LYS A 24 16.167 6.217 0.159 1.00 20.34 H new ATOM 0 HD3 LYS A 24 15.516 5.130 -1.052 1.00 20.34 H new ATOM 0 HE2 LYS A 24 17.835 4.522 -0.433 1.00 63.31 H new ATOM 0 HE3 LYS A 24 17.706 4.930 -2.132 1.00 63.31 H new ATOM 0 HZ1 LYS A 24 19.651 5.917 -0.998 1.00 11.40 H new ATOM 0 HZ2 LYS A 24 18.642 7.076 -1.721 1.00 11.40 H new ATOM 0 HZ3 LYS A 24 18.601 6.846 -0.039 1.00 11.40 H new ATOM 421 N ALA A 25 11.688 8.463 -0.564 1.00 15.11 N ATOM 422 CA ALA A 25 10.463 9.258 -0.729 1.00 14.24 C ATOM 423 C ALA A 25 9.915 9.769 0.616 1.00 73.35 C ATOM 424 O ALA A 25 8.956 10.543 0.647 1.00 41.42 O ATOM 425 CB ALA A 25 9.402 8.432 -1.454 1.00 65.32 C ATOM 0 H ALA A 25 11.534 7.455 -0.569 1.00 15.11 H new ATOM 0 HA ALA A 25 10.716 10.134 -1.326 1.00 14.24 H new ATOM 0 HB1 ALA A 25 8.496 9.027 -1.573 1.00 65.32 H new ATOM 0 HB2 ALA A 25 9.776 8.140 -2.435 1.00 65.32 H new ATOM 0 HB3 ALA A 25 9.175 7.539 -0.872 1.00 65.32 H new ATOM 431 N ASN A 26 10.526 9.330 1.721 1.00 52.45 N ATOM 432 CA ASN A 26 10.114 9.742 3.074 1.00 11.01 C ATOM 433 C ASN A 26 8.670 9.299 3.387 1.00 45.22 C ATOM 434 O ASN A 26 7.849 10.092 3.861 1.00 61.14 O ATOM 435 CB ASN A 26 10.254 11.264 3.237 1.00 32.34 C ATOM 436 CG ASN A 26 11.693 11.734 3.107 1.00 54.12 C ATOM 437 OD1 ASN A 26 12.413 11.852 4.092 1.00 73.13 O ATOM 438 ND2 ASN A 26 12.126 11.999 1.891 1.00 32.41 N ATOM 0 H ASN A 26 11.315 8.684 1.708 1.00 52.45 H new ATOM 0 HA ASN A 26 10.775 9.247 3.786 1.00 11.01 H new ATOM 0 HB2 ASN A 26 9.643 11.764 2.486 1.00 32.34 H new ATOM 0 HB3 ASN A 26 9.866 11.559 4.212 1.00 32.34 H new ATOM 0 HD21 ASN A 26 13.086 12.313 1.749 1.00 32.41 H new ATOM 0 HD22 ASN A 26 11.501 11.891 1.092 1.00 32.41 H new ATOM 445 N LEU A 27 8.376 8.023 3.130 1.00 52.33 N ATOM 446 CA LEU A 27 7.026 7.466 3.326 1.00 34.03 C ATOM 447 C LEU A 27 7.022 6.317 4.354 1.00 13.43 C ATOM 448 O LEU A 27 8.015 5.602 4.513 1.00 35.23 O ATOM 449 CB LEU A 27 6.475 6.944 1.986 1.00 42.33 C ATOM 450 CG LEU A 27 6.426 7.970 0.839 1.00 62.24 C ATOM 451 CD1 LEU A 27 5.922 7.317 -0.446 1.00 0.12 C ATOM 452 CD2 LEU A 27 5.555 9.168 1.212 1.00 35.24 C ATOM 0 H LEU A 27 9.057 7.347 2.783 1.00 52.33 H new ATOM 0 HA LEU A 27 6.395 8.268 3.708 1.00 34.03 H new ATOM 0 HB2 LEU A 27 7.086 6.099 1.667 1.00 42.33 H new ATOM 0 HB3 LEU A 27 5.467 6.564 2.152 1.00 42.33 H new ATOM 0 HG LEU A 27 7.440 8.331 0.667 1.00 62.24 H new ATOM 0 HD11 LEU A 27 5.895 8.059 -1.244 1.00 0.12 H new ATOM 0 HD12 LEU A 27 6.592 6.504 -0.728 1.00 0.12 H new ATOM 0 HD13 LEU A 27 4.919 6.921 -0.284 1.00 0.12 H new ATOM 0 HD21 LEU A 27 5.538 9.877 0.384 1.00 35.24 H new ATOM 0 HD22 LEU A 27 4.540 8.829 1.421 1.00 35.24 H new ATOM 0 HD23 LEU A 27 5.965 9.654 2.098 1.00 35.24 H new ATOM 464 N GLU A 28 5.897 6.143 5.049 1.00 71.13 N ATOM 465 CA GLU A 28 5.724 5.019 5.977 1.00 73.20 C ATOM 466 C GLU A 28 5.220 3.769 5.239 1.00 64.34 C ATOM 467 O GLU A 28 4.062 3.710 4.819 1.00 74.03 O ATOM 468 CB GLU A 28 4.737 5.381 7.099 1.00 42.22 C ATOM 469 CG GLU A 28 5.234 6.466 8.050 1.00 4.52 C ATOM 470 CD GLU A 28 4.253 6.744 9.182 1.00 4.01 C ATOM 471 OE1 GLU A 28 4.025 5.839 10.013 1.00 5.21 O ATOM 472 OE2 GLU A 28 3.707 7.870 9.254 1.00 34.15 O ATOM 0 H GLU A 28 5.091 6.765 4.988 1.00 71.13 H new ATOM 0 HA GLU A 28 6.699 4.804 6.415 1.00 73.20 H new ATOM 0 HB2 GLU A 28 3.800 5.710 6.650 1.00 42.22 H new ATOM 0 HB3 GLU A 28 4.516 4.483 7.676 1.00 42.22 H new ATOM 0 HG2 GLU A 28 6.193 6.164 8.471 1.00 4.52 H new ATOM 0 HG3 GLU A 28 5.407 7.385 7.489 1.00 4.52 H new ATOM 479 N LEU A 29 6.092 2.775 5.078 1.00 4.10 N ATOM 480 CA LEU A 29 5.725 1.528 4.395 1.00 34.35 C ATOM 481 C LEU A 29 5.442 0.409 5.413 1.00 2.21 C ATOM 482 O LEU A 29 6.315 0.022 6.188 1.00 44.31 O ATOM 483 CB LEU A 29 6.845 1.117 3.415 1.00 23.41 C ATOM 484 CG LEU A 29 6.535 -0.086 2.492 1.00 21.43 C ATOM 485 CD1 LEU A 29 7.361 -0.005 1.211 1.00 75.14 C ATOM 486 CD2 LEU A 29 6.801 -1.416 3.204 1.00 41.02 C ATOM 0 H LEU A 29 7.056 2.805 5.409 1.00 4.10 H new ATOM 0 HA LEU A 29 4.810 1.695 3.826 1.00 34.35 H new ATOM 0 HB2 LEU A 29 7.086 1.976 2.789 1.00 23.41 H new ATOM 0 HB3 LEU A 29 7.739 0.884 3.994 1.00 23.41 H new ATOM 0 HG LEU A 29 5.477 -0.042 2.235 1.00 21.43 H new ATOM 0 HD11 LEU A 29 7.130 -0.859 0.574 1.00 75.14 H new ATOM 0 HD12 LEU A 29 7.122 0.917 0.682 1.00 75.14 H new ATOM 0 HD13 LEU A 29 8.422 -0.015 1.461 1.00 75.14 H new ATOM 0 HD21 LEU A 29 6.574 -2.242 2.530 1.00 41.02 H new ATOM 0 HD22 LEU A 29 7.849 -1.467 3.500 1.00 41.02 H new ATOM 0 HD23 LEU A 29 6.170 -1.487 4.090 1.00 41.02 H new ATOM 498 N ARG A 30 4.210 -0.100 5.407 1.00 41.13 N ATOM 499 CA ARG A 30 3.808 -1.190 6.306 1.00 51.34 C ATOM 500 C ARG A 30 3.517 -2.473 5.507 1.00 31.54 C ATOM 501 O ARG A 30 2.846 -2.437 4.473 1.00 12.21 O ATOM 502 CB ARG A 30 2.570 -0.779 7.118 1.00 42.41 C ATOM 503 CG ARG A 30 2.723 0.554 7.851 1.00 22.44 C ATOM 504 CD ARG A 30 3.883 0.539 8.847 1.00 50.51 C ATOM 505 NE ARG A 30 4.107 1.854 9.449 1.00 51.24 N ATOM 506 CZ ARG A 30 5.168 2.178 10.140 1.00 3.33 C ATOM 507 NH1 ARG A 30 6.084 1.300 10.395 1.00 23.44 N ATOM 508 NH2 ARG A 30 5.303 3.382 10.593 1.00 74.20 N ATOM 0 H ARG A 30 3.468 0.225 4.788 1.00 41.13 H new ATOM 0 HA ARG A 30 4.630 -1.391 6.993 1.00 51.34 H new ATOM 0 HB2 ARG A 30 1.712 -0.717 6.448 1.00 42.41 H new ATOM 0 HB3 ARG A 30 2.350 -1.560 7.846 1.00 42.41 H new ATOM 0 HG2 ARG A 30 2.882 1.350 7.123 1.00 22.44 H new ATOM 0 HG3 ARG A 30 1.797 0.784 8.378 1.00 22.44 H new ATOM 0 HD2 ARG A 30 3.677 -0.189 9.632 1.00 50.51 H new ATOM 0 HD3 ARG A 30 4.791 0.213 8.340 1.00 50.51 H new ATOM 0 HE ARG A 30 3.387 2.565 9.321 1.00 51.24 H new ATOM 0 HH11 ARG A 30 5.982 0.344 10.056 1.00 23.44 H new ATOM 0 HH12 ARG A 30 6.908 1.565 10.935 1.00 23.44 H new ATOM 0 HH21 ARG A 30 4.581 4.079 10.411 1.00 74.20 H new ATOM 0 HH22 ARG A 30 6.131 3.634 11.132 1.00 74.20 H new ATOM 522 N THR A 31 4.023 -3.606 5.992 1.00 44.43 N ATOM 523 CA THR A 31 3.880 -4.885 5.278 1.00 1.30 C ATOM 524 C THR A 31 2.600 -5.630 5.677 1.00 74.52 C ATOM 525 O THR A 31 2.456 -6.079 6.816 1.00 1.43 O ATOM 526 CB THR A 31 5.099 -5.810 5.523 1.00 44.44 C ATOM 527 OG1 THR A 31 5.261 -6.076 6.928 1.00 62.21 O ATOM 528 CG2 THR A 31 6.376 -5.180 4.974 1.00 32.34 C ATOM 0 H THR A 31 4.534 -3.670 6.872 1.00 44.43 H new ATOM 0 HA THR A 31 3.822 -4.635 4.219 1.00 1.30 H new ATOM 0 HB THR A 31 4.914 -6.749 5.001 1.00 44.44 H new ATOM 0 HG1 THR A 31 4.380 -6.130 7.354 1.00 62.21 H new ATOM 0 HG21 THR A 31 7.219 -5.847 5.157 1.00 32.34 H new ATOM 0 HG22 THR A 31 6.269 -5.016 3.902 1.00 32.34 H new ATOM 0 HG23 THR A 31 6.554 -4.226 5.471 1.00 32.34 H new ATOM 536 N VAL A 32 1.682 -5.776 4.722 1.00 12.10 N ATOM 537 CA VAL A 32 0.413 -6.478 4.948 1.00 11.21 C ATOM 538 C VAL A 32 0.543 -7.971 4.606 1.00 21.52 C ATOM 539 O VAL A 32 1.044 -8.336 3.542 1.00 40.31 O ATOM 540 CB VAL A 32 -0.729 -5.851 4.107 1.00 23.33 C ATOM 541 CG1 VAL A 32 -2.019 -6.657 4.239 1.00 13.40 C ATOM 542 CG2 VAL A 32 -0.962 -4.396 4.510 1.00 70.51 C ATOM 0 H VAL A 32 1.793 -5.415 3.775 1.00 12.10 H new ATOM 0 HA VAL A 32 0.168 -6.376 6.005 1.00 11.21 H new ATOM 0 HB VAL A 32 -0.423 -5.875 3.061 1.00 23.33 H new ATOM 0 HG11 VAL A 32 -2.801 -6.193 3.638 1.00 13.40 H new ATOM 0 HG12 VAL A 32 -1.849 -7.675 3.889 1.00 13.40 H new ATOM 0 HG13 VAL A 32 -2.329 -6.679 5.284 1.00 13.40 H new ATOM 0 HG21 VAL A 32 -1.767 -3.976 3.907 1.00 70.51 H new ATOM 0 HG22 VAL A 32 -1.236 -4.350 5.564 1.00 70.51 H new ATOM 0 HG23 VAL A 32 -0.050 -3.823 4.347 1.00 70.51 H new ATOM 552 N LYS A 33 0.088 -8.829 5.515 1.00 32.21 N ATOM 553 CA LYS A 33 0.248 -10.281 5.361 1.00 22.21 C ATOM 554 C LYS A 33 -1.044 -10.963 4.871 1.00 75.13 C ATOM 555 O LYS A 33 -0.992 -11.942 4.121 1.00 14.13 O ATOM 556 CB LYS A 33 0.679 -10.890 6.704 1.00 12.20 C ATOM 557 CG LYS A 33 1.812 -10.124 7.382 1.00 74.35 C ATOM 558 CD LYS A 33 2.148 -10.691 8.758 1.00 44.20 C ATOM 559 CE LYS A 33 3.131 -9.800 9.509 1.00 14.41 C ATOM 560 NZ LYS A 33 2.584 -8.432 9.738 1.00 34.31 N ATOM 0 H LYS A 33 -0.395 -8.549 6.368 1.00 32.21 H new ATOM 0 HA LYS A 33 1.012 -10.452 4.603 1.00 22.21 H new ATOM 0 HB2 LYS A 33 -0.181 -10.920 7.373 1.00 12.20 H new ATOM 0 HB3 LYS A 33 0.993 -11.921 6.543 1.00 12.20 H new ATOM 0 HG2 LYS A 33 2.700 -10.157 6.750 1.00 74.35 H new ATOM 0 HG3 LYS A 33 1.531 -9.076 7.482 1.00 74.35 H new ATOM 0 HD2 LYS A 33 1.233 -10.797 9.341 1.00 44.20 H new ATOM 0 HD3 LYS A 33 2.572 -11.689 8.647 1.00 44.20 H new ATOM 0 HE2 LYS A 33 3.375 -10.258 10.468 1.00 14.41 H new ATOM 0 HE3 LYS A 33 4.060 -9.729 8.944 1.00 14.41 H new ATOM 0 HZ1 LYS A 33 2.756 -8.150 10.724 1.00 34.31 H new ATOM 0 HZ2 LYS A 33 3.053 -7.759 9.099 1.00 34.31 H new ATOM 0 HZ3 LYS A 33 1.561 -8.431 9.551 1.00 34.31 H new ATOM 574 N THR A 34 -2.201 -10.454 5.310 1.00 14.22 N ATOM 575 CA THR A 34 -3.505 -11.078 5.004 1.00 42.12 C ATOM 576 C THR A 34 -4.617 -10.037 4.796 1.00 10.34 C ATOM 577 O THR A 34 -4.405 -8.832 4.962 1.00 10.13 O ATOM 578 CB THR A 34 -3.977 -12.009 6.152 1.00 71.01 C ATOM 579 OG1 THR A 34 -4.274 -11.224 7.319 1.00 61.45 O ATOM 580 CG2 THR A 34 -2.926 -13.058 6.499 1.00 11.35 C ATOM 0 H THR A 34 -2.267 -9.610 5.880 1.00 14.22 H new ATOM 0 HA THR A 34 -3.341 -11.643 4.086 1.00 42.12 H new ATOM 0 HB THR A 34 -4.872 -12.530 5.811 1.00 71.01 H new ATOM 0 HG1 THR A 34 -4.574 -11.814 8.042 1.00 61.45 H new ATOM 0 HG21 THR A 34 -3.295 -13.690 7.307 1.00 11.35 H new ATOM 0 HG22 THR A 34 -2.722 -13.673 5.622 1.00 11.35 H new ATOM 0 HG23 THR A 34 -2.008 -12.563 6.816 1.00 11.35 H new ATOM 588 N GLU A 35 -5.805 -10.534 4.445 1.00 52.14 N ATOM 589 CA GLU A 35 -7.036 -9.728 4.396 1.00 10.41 C ATOM 590 C GLU A 35 -7.278 -9.001 5.734 1.00 24.12 C ATOM 591 O GLU A 35 -7.623 -7.815 5.767 1.00 24.25 O ATOM 592 CB GLU A 35 -8.218 -10.666 4.067 1.00 54.40 C ATOM 593 CG GLU A 35 -9.618 -10.067 4.258 1.00 52.44 C ATOM 594 CD GLU A 35 -10.044 -9.069 3.192 1.00 14.32 C ATOM 595 OE1 GLU A 35 -9.323 -8.885 2.192 1.00 53.31 O ATOM 596 OE2 GLU A 35 -11.145 -8.495 3.336 1.00 14.33 O ATOM 0 H GLU A 35 -5.945 -11.510 4.185 1.00 52.14 H new ATOM 0 HA GLU A 35 -6.940 -8.963 3.626 1.00 10.41 H new ATOM 0 HB2 GLU A 35 -8.121 -10.992 3.032 1.00 54.40 H new ATOM 0 HB3 GLU A 35 -8.136 -11.556 4.691 1.00 54.40 H new ATOM 0 HG2 GLU A 35 -10.344 -10.880 4.283 1.00 52.44 H new ATOM 0 HG3 GLU A 35 -9.656 -9.575 5.230 1.00 52.44 H new ATOM 603 N ASP A 36 -7.074 -9.721 6.842 1.00 74.12 N ATOM 604 CA ASP A 36 -7.239 -9.148 8.182 1.00 2.12 C ATOM 605 C ASP A 36 -6.226 -8.018 8.431 1.00 75.13 C ATOM 606 O ASP A 36 -6.580 -6.964 8.954 1.00 62.22 O ATOM 607 CB ASP A 36 -7.083 -10.243 9.247 1.00 43.30 C ATOM 608 CG ASP A 36 -7.439 -9.748 10.643 1.00 72.00 C ATOM 609 OD1 ASP A 36 -8.645 -9.692 10.964 1.00 42.30 O ATOM 610 OD2 ASP A 36 -6.523 -9.417 11.421 1.00 43.05 O ATOM 0 H ASP A 36 -6.794 -10.702 6.837 1.00 74.12 H new ATOM 0 HA ASP A 36 -8.241 -8.724 8.249 1.00 2.12 H new ATOM 0 HB2 ASP A 36 -7.720 -11.089 8.991 1.00 43.30 H new ATOM 0 HB3 ASP A 36 -6.055 -10.606 9.244 1.00 43.30 H new ATOM 615 N GLU A 37 -4.969 -8.250 8.043 1.00 14.33 N ATOM 616 CA GLU A 37 -3.906 -7.240 8.173 1.00 5.23 C ATOM 617 C GLU A 37 -4.267 -5.935 7.448 1.00 64.51 C ATOM 618 O GLU A 37 -4.154 -4.848 8.014 1.00 54.23 O ATOM 619 CB GLU A 37 -2.589 -7.787 7.607 1.00 34.23 C ATOM 620 CG GLU A 37 -1.983 -8.922 8.422 1.00 32.35 C ATOM 621 CD GLU A 37 -1.347 -8.439 9.714 1.00 3.24 C ATOM 622 OE1 GLU A 37 -2.083 -8.157 10.679 1.00 64.31 O ATOM 623 OE2 GLU A 37 -0.103 -8.344 9.768 1.00 53.40 O ATOM 0 H GLU A 37 -4.658 -9.131 7.634 1.00 14.33 H new ATOM 0 HA GLU A 37 -3.793 -7.020 9.234 1.00 5.23 H new ATOM 0 HB2 GLU A 37 -2.762 -8.137 6.589 1.00 34.23 H new ATOM 0 HB3 GLU A 37 -1.867 -6.973 7.546 1.00 34.23 H new ATOM 0 HG2 GLU A 37 -2.759 -9.652 8.654 1.00 32.35 H new ATOM 0 HG3 GLU A 37 -1.232 -9.435 7.821 1.00 32.35 H new ATOM 630 N LEU A 38 -4.692 -6.057 6.188 1.00 22.11 N ATOM 631 CA LEU A 38 -5.104 -4.896 5.388 1.00 34.25 C ATOM 632 C LEU A 38 -6.152 -4.073 6.158 1.00 73.21 C ATOM 633 O LEU A 38 -5.984 -2.871 6.371 1.00 41.00 O ATOM 634 CB LEU A 38 -5.661 -5.379 4.028 1.00 73.15 C ATOM 635 CG LEU A 38 -5.627 -4.366 2.859 1.00 64.42 C ATOM 636 CD1 LEU A 38 -6.559 -3.186 3.104 1.00 21.11 C ATOM 637 CD2 LEU A 38 -4.201 -3.881 2.610 1.00 73.24 C ATOM 0 H LEU A 38 -4.761 -6.949 5.697 1.00 22.11 H new ATOM 0 HA LEU A 38 -4.244 -4.254 5.200 1.00 34.25 H new ATOM 0 HB2 LEU A 38 -5.100 -6.264 3.727 1.00 73.15 H new ATOM 0 HB3 LEU A 38 -6.695 -5.692 4.176 1.00 73.15 H new ATOM 0 HG LEU A 38 -5.982 -4.884 1.968 1.00 64.42 H new ATOM 0 HD11 LEU A 38 -6.505 -2.498 2.260 1.00 21.11 H new ATOM 0 HD12 LEU A 38 -7.582 -3.547 3.214 1.00 21.11 H new ATOM 0 HD13 LEU A 38 -6.258 -2.667 4.014 1.00 21.11 H new ATOM 0 HD21 LEU A 38 -4.198 -3.169 1.784 1.00 73.24 H new ATOM 0 HD22 LEU A 38 -3.820 -3.396 3.509 1.00 73.24 H new ATOM 0 HD23 LEU A 38 -3.566 -4.731 2.359 1.00 73.24 H new ATOM 649 N LYS A 39 -7.213 -4.748 6.598 1.00 1.01 N ATOM 650 CA LYS A 39 -8.255 -4.131 7.430 1.00 74.11 C ATOM 651 C LYS A 39 -7.668 -3.484 8.701 1.00 4.43 C ATOM 652 O LYS A 39 -7.924 -2.315 8.998 1.00 33.23 O ATOM 653 CB LYS A 39 -9.276 -5.203 7.837 1.00 53.02 C ATOM 654 CG LYS A 39 -10.333 -4.722 8.833 1.00 14.23 C ATOM 655 CD LYS A 39 -11.021 -5.892 9.537 1.00 61.12 C ATOM 656 CE LYS A 39 -10.022 -6.732 10.332 1.00 20.23 C ATOM 657 NZ LYS A 39 -10.671 -7.876 11.025 1.00 4.53 N ATOM 0 H LYS A 39 -7.378 -5.733 6.391 1.00 1.01 H new ATOM 0 HA LYS A 39 -8.732 -3.346 6.843 1.00 74.11 H new ATOM 0 HB2 LYS A 39 -9.778 -5.568 6.941 1.00 53.02 H new ATOM 0 HB3 LYS A 39 -8.743 -6.049 8.271 1.00 53.02 H new ATOM 0 HG2 LYS A 39 -9.866 -4.075 9.575 1.00 14.23 H new ATOM 0 HG3 LYS A 39 -11.079 -4.122 8.311 1.00 14.23 H new ATOM 0 HD2 LYS A 39 -11.793 -5.512 10.206 1.00 61.12 H new ATOM 0 HD3 LYS A 39 -11.520 -6.520 8.799 1.00 61.12 H new ATOM 0 HE2 LYS A 39 -9.251 -7.108 9.660 1.00 20.23 H new ATOM 0 HE3 LYS A 39 -9.524 -6.100 11.067 1.00 20.23 H new ATOM 0 HZ1 LYS A 39 -10.023 -8.690 11.033 1.00 4.53 H new ATOM 0 HZ2 LYS A 39 -10.899 -7.605 12.003 1.00 4.53 H new ATOM 0 HZ3 LYS A 39 -11.545 -8.134 10.525 1.00 4.53 H new ATOM 671 N LYS A 40 -6.874 -4.263 9.433 1.00 72.23 N ATOM 672 CA LYS A 40 -6.331 -3.852 10.731 1.00 53.32 C ATOM 673 C LYS A 40 -5.474 -2.583 10.624 1.00 61.43 C ATOM 674 O LYS A 40 -5.514 -1.711 11.496 1.00 23.32 O ATOM 675 CB LYS A 40 -5.506 -4.999 11.328 1.00 43.41 C ATOM 676 CG LYS A 40 -5.009 -4.727 12.741 1.00 55.31 C ATOM 677 CD LYS A 40 -4.321 -5.946 13.349 1.00 64.00 C ATOM 678 CE LYS A 40 -4.019 -5.736 14.828 1.00 34.23 C ATOM 679 NZ LYS A 40 -5.255 -5.434 15.602 1.00 11.41 N ATOM 0 H LYS A 40 -6.587 -5.198 9.145 1.00 72.23 H new ATOM 0 HA LYS A 40 -7.171 -3.619 11.386 1.00 53.32 H new ATOM 0 HB2 LYS A 40 -6.112 -5.905 11.334 1.00 43.41 H new ATOM 0 HB3 LYS A 40 -4.649 -5.192 10.682 1.00 43.41 H new ATOM 0 HG2 LYS A 40 -4.313 -3.888 12.725 1.00 55.31 H new ATOM 0 HG3 LYS A 40 -5.849 -4.433 13.371 1.00 55.31 H new ATOM 0 HD2 LYS A 40 -4.957 -6.823 13.227 1.00 64.00 H new ATOM 0 HD3 LYS A 40 -3.394 -6.148 12.812 1.00 64.00 H new ATOM 0 HE2 LYS A 40 -3.544 -6.629 15.233 1.00 34.23 H new ATOM 0 HE3 LYS A 40 -3.308 -4.918 14.942 1.00 34.23 H new ATOM 0 HZ1 LYS A 40 -5.245 -5.968 16.494 1.00 11.41 H new ATOM 0 HZ2 LYS A 40 -5.295 -4.415 15.808 1.00 11.41 H new ATOM 0 HZ3 LYS A 40 -6.089 -5.707 15.044 1.00 11.41 H new ATOM 693 N TYR A 41 -4.694 -2.482 9.554 1.00 25.33 N ATOM 694 CA TYR A 41 -3.858 -1.302 9.320 1.00 43.44 C ATOM 695 C TYR A 41 -4.719 -0.096 8.912 1.00 24.44 C ATOM 696 O TYR A 41 -4.424 1.043 9.276 1.00 2.14 O ATOM 697 CB TYR A 41 -2.796 -1.599 8.248 1.00 43.04 C ATOM 698 CG TYR A 41 -1.800 -2.689 8.641 1.00 12.24 C ATOM 699 CD1 TYR A 41 -1.959 -3.431 9.813 1.00 53.51 C ATOM 700 CD2 TYR A 41 -0.704 -2.977 7.834 1.00 4.25 C ATOM 701 CE1 TYR A 41 -1.060 -4.419 10.162 1.00 0.20 C ATOM 702 CE2 TYR A 41 0.199 -3.964 8.181 1.00 30.22 C ATOM 703 CZ TYR A 41 0.014 -4.683 9.345 1.00 62.21 C ATOM 704 OH TYR A 41 0.909 -5.670 9.691 1.00 24.10 O ATOM 0 H TYR A 41 -4.620 -3.200 8.833 1.00 25.33 H new ATOM 0 HA TYR A 41 -3.348 -1.054 10.251 1.00 43.44 H new ATOM 0 HB2 TYR A 41 -3.298 -1.896 7.327 1.00 43.04 H new ATOM 0 HB3 TYR A 41 -2.248 -0.682 8.031 1.00 43.04 H new ATOM 0 HD1 TYR A 41 -2.801 -3.228 10.459 1.00 53.51 H new ATOM 0 HD2 TYR A 41 -0.556 -2.420 6.921 1.00 4.25 H new ATOM 0 HE1 TYR A 41 -1.200 -4.982 11.073 1.00 0.20 H new ATOM 0 HE2 TYR A 41 1.046 -4.172 7.544 1.00 30.22 H new ATOM 0 HH TYR A 41 0.460 -6.541 9.670 1.00 24.10 H new ATOM 714 N LEU A 42 -5.794 -0.360 8.164 1.00 52.11 N ATOM 715 CA LEU A 42 -6.752 0.686 7.791 1.00 54.02 C ATOM 716 C LEU A 42 -7.426 1.293 9.032 1.00 4.22 C ATOM 717 O LEU A 42 -7.764 2.478 9.043 1.00 24.02 O ATOM 718 CB LEU A 42 -7.824 0.134 6.839 1.00 60.03 C ATOM 719 CG LEU A 42 -7.344 -0.222 5.421 1.00 44.12 C ATOM 720 CD1 LEU A 42 -8.509 -0.729 4.576 1.00 10.10 C ATOM 721 CD2 LEU A 42 -6.676 0.980 4.750 1.00 62.24 C ATOM 0 H LEU A 42 -6.023 -1.287 7.805 1.00 52.11 H new ATOM 0 HA LEU A 42 -6.193 1.470 7.280 1.00 54.02 H new ATOM 0 HB2 LEU A 42 -8.258 -0.759 7.290 1.00 60.03 H new ATOM 0 HB3 LEU A 42 -8.623 0.870 6.757 1.00 60.03 H new ATOM 0 HG LEU A 42 -6.602 -1.017 5.503 1.00 44.12 H new ATOM 0 HD11 LEU A 42 -8.153 -0.976 3.576 1.00 10.10 H new ATOM 0 HD12 LEU A 42 -8.935 -1.619 5.040 1.00 10.10 H new ATOM 0 HD13 LEU A 42 -9.273 0.045 4.508 1.00 10.10 H new ATOM 0 HD21 LEU A 42 -6.346 0.701 3.749 1.00 62.24 H new ATOM 0 HD22 LEU A 42 -7.389 1.801 4.681 1.00 62.24 H new ATOM 0 HD23 LEU A 42 -5.816 1.295 5.341 1.00 62.24 H new ATOM 733 N GLU A 43 -7.621 0.478 10.072 1.00 52.42 N ATOM 734 CA GLU A 43 -8.188 0.963 11.339 1.00 21.30 C ATOM 735 C GLU A 43 -7.341 2.109 11.918 1.00 64.42 C ATOM 736 O GLU A 43 -7.870 3.112 12.400 1.00 4.22 O ATOM 737 CB GLU A 43 -8.290 -0.180 12.364 1.00 34.24 C ATOM 738 CG GLU A 43 -9.201 -1.325 11.933 1.00 50.00 C ATOM 739 CD GLU A 43 -9.426 -2.339 13.045 1.00 1.51 C ATOM 740 OE1 GLU A 43 -10.374 -2.151 13.842 1.00 41.21 O ATOM 741 OE2 GLU A 43 -8.653 -3.314 13.142 1.00 4.01 O ATOM 0 H GLU A 43 -7.397 -0.517 10.065 1.00 52.42 H new ATOM 0 HA GLU A 43 -9.189 1.340 11.131 1.00 21.30 H new ATOM 0 HB2 GLU A 43 -7.292 -0.575 12.551 1.00 34.24 H new ATOM 0 HB3 GLU A 43 -8.655 0.225 13.308 1.00 34.24 H new ATOM 0 HG2 GLU A 43 -10.162 -0.921 11.614 1.00 50.00 H new ATOM 0 HG3 GLU A 43 -8.764 -1.828 11.070 1.00 50.00 H new ATOM 748 N GLU A 44 -6.021 1.952 11.849 1.00 31.30 N ATOM 749 CA GLU A 44 -5.085 2.992 12.294 1.00 63.05 C ATOM 750 C GLU A 44 -5.176 4.237 11.397 1.00 54.12 C ATOM 751 O GLU A 44 -5.129 5.372 11.873 1.00 14.54 O ATOM 752 CB GLU A 44 -3.649 2.434 12.280 1.00 3.21 C ATOM 753 CG GLU A 44 -2.577 3.417 12.764 1.00 12.00 C ATOM 754 CD GLU A 44 -2.588 3.665 14.271 1.00 64.50 C ATOM 755 OE1 GLU A 44 -3.515 3.187 14.968 1.00 45.24 O ATOM 756 OE2 GLU A 44 -1.651 4.331 14.769 1.00 71.50 O ATOM 0 H GLU A 44 -5.570 1.112 11.488 1.00 31.30 H new ATOM 0 HA GLU A 44 -5.352 3.287 13.309 1.00 63.05 H new ATOM 0 HB2 GLU A 44 -3.614 1.542 12.905 1.00 3.21 H new ATOM 0 HB3 GLU A 44 -3.405 2.121 11.265 1.00 3.21 H new ATOM 0 HG2 GLU A 44 -1.596 3.038 12.477 1.00 12.00 H new ATOM 0 HG3 GLU A 44 -2.714 4.368 12.250 1.00 12.00 H new ATOM 763 N PHE A 45 -5.327 4.009 10.097 1.00 15.33 N ATOM 764 CA PHE A 45 -5.382 5.096 9.114 1.00 43.52 C ATOM 765 C PHE A 45 -6.699 5.892 9.197 1.00 15.15 C ATOM 766 O PHE A 45 -6.746 7.076 8.854 1.00 13.32 O ATOM 767 CB PHE A 45 -5.193 4.522 7.703 1.00 11.22 C ATOM 768 CG PHE A 45 -3.880 3.802 7.513 1.00 51.22 C ATOM 769 CD1 PHE A 45 -2.747 4.200 8.206 1.00 23.21 C ATOM 770 CD2 PHE A 45 -3.781 2.726 6.644 1.00 70.42 C ATOM 771 CE1 PHE A 45 -1.547 3.537 8.040 1.00 71.01 C ATOM 772 CE2 PHE A 45 -2.584 2.060 6.475 1.00 14.22 C ATOM 773 CZ PHE A 45 -1.464 2.467 7.173 1.00 63.03 C ATOM 0 H PHE A 45 -5.414 3.076 9.693 1.00 15.33 H new ATOM 0 HA PHE A 45 -4.575 5.792 9.341 1.00 43.52 H new ATOM 0 HB2 PHE A 45 -6.010 3.833 7.488 1.00 11.22 H new ATOM 0 HB3 PHE A 45 -5.261 5.333 6.978 1.00 11.22 H new ATOM 0 HD1 PHE A 45 -2.804 5.039 8.884 1.00 23.21 H new ATOM 0 HD2 PHE A 45 -4.652 2.405 6.092 1.00 70.42 H new ATOM 0 HE1 PHE A 45 -0.673 3.856 8.589 1.00 71.01 H new ATOM 0 HE2 PHE A 45 -2.523 1.221 5.797 1.00 14.22 H new ATOM 0 HZ PHE A 45 -0.526 1.949 7.041 1.00 63.03 H new ATOM 783 N ARG A 46 -7.762 5.236 9.664 1.00 1.55 N ATOM 784 CA ARG A 46 -9.082 5.872 9.814 1.00 15.34 C ATOM 785 C ARG A 46 -9.050 7.088 10.763 1.00 14.51 C ATOM 786 O ARG A 46 -9.932 7.950 10.711 1.00 72.31 O ATOM 787 CB ARG A 46 -10.105 4.831 10.300 1.00 12.04 C ATOM 788 CG ARG A 46 -10.649 3.948 9.175 1.00 10.44 C ATOM 789 CD ARG A 46 -11.219 2.628 9.688 1.00 20.50 C ATOM 790 NE ARG A 46 -12.115 2.792 10.832 1.00 43.43 N ATOM 791 CZ ARG A 46 -12.725 1.803 11.429 1.00 3.41 C ATOM 792 NH1 ARG A 46 -12.625 0.592 10.976 1.00 72.22 N ATOM 793 NH2 ARG A 46 -13.457 2.030 12.470 1.00 21.33 N ATOM 0 H ARG A 46 -7.739 4.257 9.948 1.00 1.55 H new ATOM 0 HA ARG A 46 -9.379 6.250 8.836 1.00 15.34 H new ATOM 0 HB2 ARG A 46 -9.639 4.199 11.056 1.00 12.04 H new ATOM 0 HB3 ARG A 46 -10.936 5.346 10.783 1.00 12.04 H new ATOM 0 HG2 ARG A 46 -11.426 4.490 8.636 1.00 10.44 H new ATOM 0 HG3 ARG A 46 -9.851 3.742 8.462 1.00 10.44 H new ATOM 0 HD2 ARG A 46 -11.759 2.135 8.880 1.00 20.50 H new ATOM 0 HD3 ARG A 46 -10.397 1.970 9.970 1.00 20.50 H new ATOM 0 HE ARG A 46 -12.273 3.736 11.185 1.00 43.43 H new ATOM 0 HH11 ARG A 46 -12.065 0.403 10.145 1.00 72.22 H new ATOM 0 HH12 ARG A 46 -13.106 -0.172 11.451 1.00 72.22 H new ATOM 0 HH21 ARG A 46 -13.558 2.981 12.825 1.00 21.33 H new ATOM 0 HH22 ARG A 46 -13.934 1.258 12.937 1.00 21.33 H new ATOM 807 N LYS A 47 -8.027 7.155 11.616 1.00 42.20 N ATOM 808 CA LYS A 47 -7.846 8.290 12.537 1.00 35.35 C ATOM 809 C LYS A 47 -7.666 9.618 11.782 1.00 2.44 C ATOM 810 O LYS A 47 -8.164 10.662 12.210 1.00 12.30 O ATOM 811 CB LYS A 47 -6.620 8.050 13.426 1.00 70.40 C ATOM 812 CG LYS A 47 -6.722 6.806 14.301 1.00 54.44 C ATOM 813 CD LYS A 47 -5.417 6.521 15.041 1.00 12.24 C ATOM 814 CE LYS A 47 -5.003 7.675 15.948 1.00 72.34 C ATOM 815 NZ LYS A 47 -6.040 7.991 16.966 1.00 72.31 N ATOM 0 H LYS A 47 -7.307 6.437 11.692 1.00 42.20 H new ATOM 0 HA LYS A 47 -8.747 8.362 13.146 1.00 35.35 H new ATOM 0 HB2 LYS A 47 -5.736 7.965 12.793 1.00 70.40 H new ATOM 0 HB3 LYS A 47 -6.472 8.920 14.065 1.00 70.40 H new ATOM 0 HG2 LYS A 47 -7.528 6.935 15.023 1.00 54.44 H new ATOM 0 HG3 LYS A 47 -6.983 5.948 13.682 1.00 54.44 H new ATOM 0 HD2 LYS A 47 -5.530 5.616 15.637 1.00 12.24 H new ATOM 0 HD3 LYS A 47 -4.625 6.329 14.317 1.00 12.24 H new ATOM 0 HE2 LYS A 47 -4.069 7.423 16.450 1.00 72.34 H new ATOM 0 HE3 LYS A 47 -4.810 8.560 15.342 1.00 72.34 H new ATOM 0 HZ1 LYS A 47 -5.663 8.686 17.642 1.00 72.31 H new ATOM 0 HZ2 LYS A 47 -6.879 8.386 16.496 1.00 72.31 H new ATOM 0 HZ3 LYS A 47 -6.304 7.123 17.473 1.00 72.31 H new ATOM 829 N GLU A 48 -6.953 9.568 10.657 1.00 31.05 N ATOM 830 CA GLU A 48 -6.595 10.773 9.894 1.00 21.03 C ATOM 831 C GLU A 48 -7.246 10.768 8.499 1.00 53.14 C ATOM 832 O GLU A 48 -6.701 11.333 7.548 1.00 21.40 O ATOM 833 CB GLU A 48 -5.067 10.846 9.750 1.00 14.02 C ATOM 834 CG GLU A 48 -4.298 10.753 11.071 1.00 21.02 C ATOM 835 CD GLU A 48 -4.523 11.944 11.992 1.00 2.12 C ATOM 836 OE1 GLU A 48 -4.418 13.097 11.521 1.00 34.22 O ATOM 837 OE2 GLU A 48 -4.775 11.732 13.202 1.00 55.22 O ATOM 0 H GLU A 48 -6.607 8.700 10.248 1.00 31.05 H new ATOM 0 HA GLU A 48 -6.964 11.645 10.435 1.00 21.03 H new ATOM 0 HB2 GLU A 48 -4.738 10.039 9.095 1.00 14.02 H new ATOM 0 HB3 GLU A 48 -4.806 11.783 9.258 1.00 14.02 H new ATOM 0 HG2 GLU A 48 -4.594 9.842 11.591 1.00 21.02 H new ATOM 0 HG3 GLU A 48 -3.233 10.666 10.856 1.00 21.02 H new ATOM 844 N SER A 49 -8.434 10.168 8.400 1.00 44.52 N ATOM 845 CA SER A 49 -9.144 9.994 7.112 1.00 73.21 C ATOM 846 C SER A 49 -9.302 11.305 6.316 1.00 54.00 C ATOM 847 O SER A 49 -9.583 11.283 5.118 1.00 15.34 O ATOM 848 CB SER A 49 -10.537 9.399 7.361 1.00 55.42 C ATOM 849 OG SER A 49 -11.322 10.262 8.177 1.00 73.30 O ATOM 0 H SER A 49 -8.937 9.787 9.202 1.00 44.52 H new ATOM 0 HA SER A 49 -8.529 9.321 6.514 1.00 73.21 H new ATOM 0 HB2 SER A 49 -11.042 9.234 6.409 1.00 55.42 H new ATOM 0 HB3 SER A 49 -10.440 8.426 7.843 1.00 55.42 H new ATOM 0 HG SER A 49 -12.205 9.863 8.320 1.00 73.30 H new ATOM 855 N GLN A 50 -9.114 12.437 6.982 1.00 35.22 N ATOM 856 CA GLN A 50 -9.324 13.754 6.370 1.00 12.33 C ATOM 857 C GLN A 50 -8.272 14.091 5.294 1.00 10.14 C ATOM 858 O GLN A 50 -8.615 14.544 4.200 1.00 73.44 O ATOM 859 CB GLN A 50 -9.311 14.826 7.465 1.00 72.14 C ATOM 860 CG GLN A 50 -10.206 14.498 8.655 1.00 22.02 C ATOM 861 CD GLN A 50 -11.682 14.402 8.291 1.00 30.04 C ATOM 862 OE1 GLN A 50 -12.407 15.393 8.312 1.00 64.42 O ATOM 863 NE2 GLN A 50 -12.147 13.207 7.974 1.00 23.24 N ATOM 0 H GLN A 50 -8.813 12.475 7.956 1.00 35.22 H new ATOM 0 HA GLN A 50 -10.291 13.730 5.867 1.00 12.33 H new ATOM 0 HB2 GLN A 50 -8.288 14.961 7.817 1.00 72.14 H new ATOM 0 HB3 GLN A 50 -9.628 15.776 7.035 1.00 72.14 H new ATOM 0 HG2 GLN A 50 -9.885 13.553 9.093 1.00 22.02 H new ATOM 0 HG3 GLN A 50 -10.077 15.264 9.420 1.00 22.02 H new ATOM 0 HE21 GLN A 50 -11.521 12.402 7.965 1.00 23.24 H new ATOM 0 HE22 GLN A 50 -13.132 13.089 7.738 1.00 23.24 H new ATOM 872 N ASN A 51 -6.993 13.873 5.603 1.00 4.44 N ATOM 873 CA ASN A 51 -5.898 14.276 4.703 1.00 61.41 C ATOM 874 C ASN A 51 -4.959 13.103 4.375 1.00 61.12 C ATOM 875 O ASN A 51 -3.808 13.310 3.989 1.00 1.31 O ATOM 876 CB ASN A 51 -5.076 15.401 5.351 1.00 53.32 C ATOM 877 CG ASN A 51 -5.924 16.577 5.798 1.00 45.33 C ATOM 878 OD1 ASN A 51 -6.184 17.501 5.034 1.00 71.13 O ATOM 879 ND2 ASN A 51 -6.343 16.570 7.049 1.00 23.31 N ATOM 0 H ASN A 51 -6.685 13.422 6.464 1.00 4.44 H new ATOM 0 HA ASN A 51 -6.354 14.621 3.775 1.00 61.41 H new ATOM 0 HB2 ASN A 51 -4.538 15.001 6.211 1.00 53.32 H new ATOM 0 HB3 ASN A 51 -4.327 15.750 4.641 1.00 53.32 H new ATOM 0 HD21 ASN A 51 -6.899 17.347 7.405 1.00 23.31 H new ATOM 0 HD22 ASN A 51 -6.111 15.787 7.660 1.00 23.31 H new ATOM 886 N ILE A 52 -5.444 11.874 4.512 1.00 54.40 N ATOM 887 CA ILE A 52 -4.578 10.699 4.372 1.00 63.23 C ATOM 888 C ILE A 52 -4.621 10.081 2.960 1.00 73.45 C ATOM 889 O ILE A 52 -5.615 10.181 2.232 1.00 23.43 O ATOM 890 CB ILE A 52 -4.931 9.620 5.426 1.00 70.10 C ATOM 891 CG1 ILE A 52 -3.828 8.553 5.494 1.00 45.34 C ATOM 892 CG2 ILE A 52 -6.287 8.980 5.120 1.00 73.22 C ATOM 893 CD1 ILE A 52 -4.008 7.563 6.622 1.00 61.23 C ATOM 0 H ILE A 52 -6.420 11.662 4.718 1.00 54.40 H new ATOM 0 HA ILE A 52 -3.561 11.055 4.540 1.00 63.23 H new ATOM 0 HB ILE A 52 -5.001 10.105 6.400 1.00 70.10 H new ATOM 0 HG12 ILE A 52 -3.800 8.012 4.548 1.00 45.34 H new ATOM 0 HG13 ILE A 52 -2.863 9.047 5.607 1.00 45.34 H new ATOM 0 HG21 ILE A 52 -6.512 8.226 5.874 1.00 73.22 H new ATOM 0 HG22 ILE A 52 -7.062 9.747 5.131 1.00 73.22 H new ATOM 0 HG23 ILE A 52 -6.254 8.511 4.137 1.00 73.22 H new ATOM 0 HD11 ILE A 52 -3.192 6.841 6.606 1.00 61.23 H new ATOM 0 HD12 ILE A 52 -4.006 8.093 7.575 1.00 61.23 H new ATOM 0 HD13 ILE A 52 -4.957 7.041 6.500 1.00 61.23 H new ATOM 905 N LYS A 53 -3.511 9.454 2.576 1.00 74.22 N ATOM 906 CA LYS A 53 -3.399 8.725 1.310 1.00 52.45 C ATOM 907 C LYS A 53 -2.770 7.345 1.532 1.00 62.51 C ATOM 908 O LYS A 53 -1.683 7.238 2.093 1.00 23.11 O ATOM 909 CB LYS A 53 -2.550 9.526 0.313 1.00 33.51 C ATOM 910 CG LYS A 53 -3.229 10.787 -0.219 1.00 72.33 C ATOM 911 CD LYS A 53 -3.933 10.548 -1.556 1.00 61.34 C ATOM 912 CE LYS A 53 -5.020 9.483 -1.470 1.00 0.41 C ATOM 913 NZ LYS A 53 -6.090 9.853 -0.506 1.00 53.42 N ATOM 0 H LYS A 53 -2.658 9.436 3.136 1.00 74.22 H new ATOM 0 HA LYS A 53 -4.401 8.590 0.904 1.00 52.45 H new ATOM 0 HB2 LYS A 53 -1.614 9.807 0.795 1.00 33.51 H new ATOM 0 HB3 LYS A 53 -2.295 8.882 -0.529 1.00 33.51 H new ATOM 0 HG2 LYS A 53 -3.955 11.142 0.513 1.00 72.33 H new ATOM 0 HG3 LYS A 53 -2.485 11.575 -0.338 1.00 72.33 H new ATOM 0 HD2 LYS A 53 -4.374 11.483 -1.901 1.00 61.34 H new ATOM 0 HD3 LYS A 53 -3.196 10.249 -2.301 1.00 61.34 H new ATOM 0 HE2 LYS A 53 -5.458 9.332 -2.457 1.00 0.41 H new ATOM 0 HE3 LYS A 53 -4.575 8.534 -1.170 1.00 0.41 H new ATOM 0 HZ1 LYS A 53 -6.865 9.162 -0.565 1.00 53.42 H new ATOM 0 HZ2 LYS A 53 -5.702 9.856 0.459 1.00 53.42 H new ATOM 0 HZ3 LYS A 53 -6.453 10.800 -0.736 1.00 53.42 H new ATOM 927 N VAL A 54 -3.454 6.293 1.092 1.00 22.44 N ATOM 928 CA VAL A 54 -2.943 4.925 1.246 1.00 30.41 C ATOM 929 C VAL A 54 -2.668 4.268 -0.117 1.00 73.54 C ATOM 930 O VAL A 54 -3.583 4.051 -0.912 1.00 72.43 O ATOM 931 CB VAL A 54 -3.935 4.044 2.047 1.00 23.33 C ATOM 932 CG1 VAL A 54 -3.372 2.637 2.255 1.00 71.44 C ATOM 933 CG2 VAL A 54 -4.281 4.697 3.387 1.00 54.40 C ATOM 0 H VAL A 54 -4.360 6.356 0.627 1.00 22.44 H new ATOM 0 HA VAL A 54 -2.005 4.999 1.796 1.00 30.41 H new ATOM 0 HB VAL A 54 -4.853 3.956 1.466 1.00 23.33 H new ATOM 0 HG11 VAL A 54 -4.087 2.039 2.820 1.00 71.44 H new ATOM 0 HG12 VAL A 54 -3.193 2.170 1.287 1.00 71.44 H new ATOM 0 HG13 VAL A 54 -2.434 2.698 2.807 1.00 71.44 H new ATOM 0 HG21 VAL A 54 -4.979 4.061 3.932 1.00 54.40 H new ATOM 0 HG22 VAL A 54 -3.372 4.826 3.975 1.00 54.40 H new ATOM 0 HG23 VAL A 54 -4.739 5.670 3.210 1.00 54.40 H new ATOM 943 N LEU A 55 -1.399 3.968 -0.380 1.00 44.53 N ATOM 944 CA LEU A 55 -0.991 3.266 -1.605 1.00 50.32 C ATOM 945 C LEU A 55 -0.807 1.767 -1.329 1.00 64.14 C ATOM 946 O LEU A 55 0.110 1.375 -0.611 1.00 5.20 O ATOM 947 CB LEU A 55 0.326 3.851 -2.133 1.00 14.13 C ATOM 948 CG LEU A 55 0.848 3.222 -3.437 1.00 25.23 C ATOM 949 CD1 LEU A 55 -0.018 3.629 -4.629 1.00 62.30 C ATOM 950 CD2 LEU A 55 2.312 3.593 -3.668 1.00 3.30 C ATOM 0 H LEU A 55 -0.625 4.201 0.242 1.00 44.53 H new ATOM 0 HA LEU A 55 -1.773 3.397 -2.353 1.00 50.32 H new ATOM 0 HB2 LEU A 55 0.191 4.921 -2.293 1.00 14.13 H new ATOM 0 HB3 LEU A 55 1.089 3.738 -1.363 1.00 14.13 H new ATOM 0 HG LEU A 55 0.786 2.138 -3.338 1.00 25.23 H new ATOM 0 HD11 LEU A 55 0.374 3.170 -5.537 1.00 62.30 H new ATOM 0 HD12 LEU A 55 -1.042 3.294 -4.466 1.00 62.30 H new ATOM 0 HD13 LEU A 55 -0.004 4.714 -4.735 1.00 62.30 H new ATOM 0 HD21 LEU A 55 2.661 3.138 -4.595 1.00 3.30 H new ATOM 0 HD22 LEU A 55 2.406 4.677 -3.738 1.00 3.30 H new ATOM 0 HD23 LEU A 55 2.915 3.229 -2.836 1.00 3.30 H new ATOM 962 N ILE A 56 -1.673 0.931 -1.891 1.00 3.35 N ATOM 963 CA ILE A 56 -1.613 -0.516 -1.642 1.00 45.22 C ATOM 964 C ILE A 56 -1.081 -1.279 -2.866 1.00 73.31 C ATOM 965 O ILE A 56 -1.669 -1.226 -3.944 1.00 53.34 O ATOM 966 CB ILE A 56 -3.005 -1.076 -1.256 1.00 73.51 C ATOM 967 CG1 ILE A 56 -3.591 -0.288 -0.070 1.00 41.22 C ATOM 968 CG2 ILE A 56 -2.911 -2.566 -0.921 1.00 71.40 C ATOM 969 CD1 ILE A 56 -4.993 -0.711 0.324 1.00 42.40 C ATOM 0 H ILE A 56 -2.422 1.222 -2.519 1.00 3.35 H new ATOM 0 HA ILE A 56 -0.924 -0.663 -0.810 1.00 45.22 H new ATOM 0 HB ILE A 56 -3.673 -0.960 -2.109 1.00 73.51 H new ATOM 0 HG12 ILE A 56 -2.933 -0.405 0.791 1.00 41.22 H new ATOM 0 HG13 ILE A 56 -3.601 0.772 -0.322 1.00 41.22 H new ATOM 0 HG21 ILE A 56 -3.898 -2.942 -0.652 1.00 71.40 H new ATOM 0 HG22 ILE A 56 -2.539 -3.111 -1.788 1.00 71.40 H new ATOM 0 HG23 ILE A 56 -2.228 -2.708 -0.083 1.00 71.40 H new ATOM 0 HD11 ILE A 56 -5.332 -0.108 1.166 1.00 42.40 H new ATOM 0 HD12 ILE A 56 -5.667 -0.567 -0.520 1.00 42.40 H new ATOM 0 HD13 ILE A 56 -4.989 -1.763 0.610 1.00 42.40 H new ATOM 981 N LEU A 57 0.034 -1.988 -2.691 1.00 74.22 N ATOM 982 CA LEU A 57 0.638 -2.786 -3.768 1.00 64.31 C ATOM 983 C LEU A 57 0.358 -4.282 -3.563 1.00 50.30 C ATOM 984 O LEU A 57 0.724 -4.854 -2.538 1.00 72.40 O ATOM 985 CB LEU A 57 2.160 -2.551 -3.842 1.00 60.31 C ATOM 986 CG LEU A 57 2.610 -1.145 -4.284 1.00 23.01 C ATOM 987 CD1 LEU A 57 1.955 -0.754 -5.606 1.00 43.14 C ATOM 988 CD2 LEU A 57 2.321 -0.105 -3.205 1.00 64.34 C ATOM 0 H LEU A 57 0.543 -2.028 -1.808 1.00 74.22 H new ATOM 0 HA LEU A 57 0.186 -2.466 -4.707 1.00 64.31 H new ATOM 0 HB2 LEU A 57 2.586 -2.754 -2.860 1.00 60.31 H new ATOM 0 HB3 LEU A 57 2.586 -3.280 -4.531 1.00 60.31 H new ATOM 0 HG LEU A 57 3.689 -1.175 -4.435 1.00 23.01 H new ATOM 0 HD11 LEU A 57 2.288 0.242 -5.897 1.00 43.14 H new ATOM 0 HD12 LEU A 57 2.237 -1.470 -6.378 1.00 43.14 H new ATOM 0 HD13 LEU A 57 0.871 -0.754 -5.489 1.00 43.14 H new ATOM 0 HD21 LEU A 57 2.650 0.876 -3.548 1.00 64.34 H new ATOM 0 HD22 LEU A 57 1.250 -0.078 -3.003 1.00 64.34 H new ATOM 0 HD23 LEU A 57 2.856 -0.369 -2.293 1.00 64.34 H new ATOM 1000 N VAL A 58 -0.278 -4.912 -4.546 1.00 14.20 N ATOM 1001 CA VAL A 58 -0.652 -6.330 -4.450 1.00 34.03 C ATOM 1002 C VAL A 58 -0.016 -7.170 -5.571 1.00 23.31 C ATOM 1003 O VAL A 58 0.401 -6.637 -6.596 1.00 1.40 O ATOM 1004 CB VAL A 58 -2.190 -6.495 -4.513 1.00 54.31 C ATOM 1005 CG1 VAL A 58 -2.867 -5.728 -3.378 1.00 43.10 C ATOM 1006 CG2 VAL A 58 -2.724 -6.044 -5.871 1.00 33.13 C ATOM 0 H VAL A 58 -0.548 -4.466 -5.423 1.00 14.20 H new ATOM 0 HA VAL A 58 -0.278 -6.689 -3.491 1.00 34.03 H new ATOM 0 HB VAL A 58 -2.425 -7.552 -4.389 1.00 54.31 H new ATOM 0 HG11 VAL A 58 -3.947 -5.859 -3.444 1.00 43.10 H new ATOM 0 HG12 VAL A 58 -2.513 -6.108 -2.420 1.00 43.10 H new ATOM 0 HG13 VAL A 58 -2.625 -4.668 -3.460 1.00 43.10 H new ATOM 0 HG21 VAL A 58 -3.807 -6.168 -5.896 1.00 33.13 H new ATOM 0 HG22 VAL A 58 -2.475 -4.995 -6.030 1.00 33.13 H new ATOM 0 HG23 VAL A 58 -2.272 -6.647 -6.658 1.00 33.13 H new ATOM 1016 N SER A 59 0.051 -8.488 -5.376 1.00 15.04 N ATOM 1017 CA SER A 59 0.600 -9.393 -6.402 1.00 42.23 C ATOM 1018 C SER A 59 -0.502 -9.977 -7.307 1.00 14.34 C ATOM 1019 O SER A 59 -0.295 -10.155 -8.509 1.00 44.12 O ATOM 1020 CB SER A 59 1.397 -10.529 -5.746 1.00 11.11 C ATOM 1021 OG SER A 59 1.923 -11.425 -6.716 1.00 74.53 O ATOM 0 H SER A 59 -0.264 -8.955 -4.526 1.00 15.04 H new ATOM 0 HA SER A 59 1.266 -8.801 -7.030 1.00 42.23 H new ATOM 0 HB2 SER A 59 2.212 -10.109 -5.157 1.00 11.11 H new ATOM 0 HB3 SER A 59 0.753 -11.075 -5.056 1.00 11.11 H new ATOM 0 HG SER A 59 2.426 -12.136 -6.266 1.00 74.53 H new ATOM 1027 N ASN A 60 -1.672 -10.271 -6.733 1.00 23.13 N ATOM 1028 CA ASN A 60 -2.798 -10.832 -7.504 1.00 53.42 C ATOM 1029 C ASN A 60 -3.919 -9.797 -7.695 1.00 11.24 C ATOM 1030 O ASN A 60 -4.068 -8.868 -6.897 1.00 10.31 O ATOM 1031 CB ASN A 60 -3.378 -12.067 -6.798 1.00 12.42 C ATOM 1032 CG ASN A 60 -2.335 -13.122 -6.487 1.00 1.21 C ATOM 1033 OD1 ASN A 60 -1.394 -13.331 -7.243 1.00 0.12 O ATOM 1034 ND2 ASN A 60 -2.486 -13.788 -5.361 1.00 64.21 N ATOM 0 H ASN A 60 -1.869 -10.133 -5.742 1.00 23.13 H new ATOM 0 HA ASN A 60 -2.407 -11.116 -8.481 1.00 53.42 H new ATOM 0 HB2 ASN A 60 -3.858 -11.755 -5.870 1.00 12.42 H new ATOM 0 HB3 ASN A 60 -4.153 -12.506 -7.426 1.00 12.42 H new ATOM 0 HD21 ASN A 60 -1.808 -14.502 -5.096 1.00 64.21 H new ATOM 0 HD22 ASN A 60 -3.281 -13.589 -4.754 1.00 64.21 H new ATOM 1041 N ASP A 61 -4.719 -9.977 -8.745 1.00 51.22 N ATOM 1042 CA ASP A 61 -5.864 -9.103 -9.011 1.00 53.32 C ATOM 1043 C ASP A 61 -6.958 -9.282 -7.942 1.00 24.32 C ATOM 1044 O ASP A 61 -7.735 -8.364 -7.669 1.00 34.14 O ATOM 1045 CB ASP A 61 -6.427 -9.393 -10.405 1.00 50.14 C ATOM 1046 CG ASP A 61 -5.395 -9.152 -11.490 1.00 62.33 C ATOM 1047 OD1 ASP A 61 -4.580 -10.061 -11.760 1.00 42.13 O ATOM 1048 OD2 ASP A 61 -5.376 -8.047 -12.070 1.00 72.33 O ATOM 0 H ASP A 61 -4.595 -10.723 -9.429 1.00 51.22 H new ATOM 0 HA ASP A 61 -5.524 -8.068 -8.971 1.00 53.32 H new ATOM 0 HB2 ASP A 61 -6.768 -10.427 -10.451 1.00 50.14 H new ATOM 0 HB3 ASP A 61 -7.297 -8.762 -10.584 1.00 50.14 H new ATOM 1053 N GLU A 62 -7.010 -10.470 -7.340 1.00 14.35 N ATOM 1054 CA GLU A 62 -7.936 -10.731 -6.232 1.00 73.13 C ATOM 1055 C GLU A 62 -7.611 -9.852 -5.016 1.00 4.42 C ATOM 1056 O GLU A 62 -8.503 -9.229 -4.439 1.00 40.44 O ATOM 1057 CB GLU A 62 -7.902 -12.211 -5.827 1.00 31.13 C ATOM 1058 CG GLU A 62 -8.395 -13.157 -6.914 1.00 54.13 C ATOM 1059 CD GLU A 62 -8.383 -14.612 -6.470 1.00 73.32 C ATOM 1060 OE1 GLU A 62 -7.314 -15.256 -6.540 1.00 42.42 O ATOM 1061 OE2 GLU A 62 -9.439 -15.118 -6.037 1.00 35.23 O ATOM 0 H GLU A 62 -6.426 -11.265 -7.598 1.00 14.35 H new ATOM 0 HA GLU A 62 -8.939 -10.483 -6.581 1.00 73.13 H new ATOM 0 HB2 GLU A 62 -6.881 -12.481 -5.559 1.00 31.13 H new ATOM 0 HB3 GLU A 62 -8.513 -12.348 -4.935 1.00 31.13 H new ATOM 0 HG2 GLU A 62 -9.408 -12.877 -7.203 1.00 54.13 H new ATOM 0 HG3 GLU A 62 -7.769 -13.046 -7.799 1.00 54.13 H new ATOM 1068 N GLU A 63 -6.331 -9.800 -4.630 1.00 31.12 N ATOM 1069 CA GLU A 63 -5.902 -8.945 -3.510 1.00 72.21 C ATOM 1070 C GLU A 63 -6.189 -7.471 -3.836 1.00 35.32 C ATOM 1071 O GLU A 63 -6.570 -6.693 -2.966 1.00 24.41 O ATOM 1072 CB GLU A 63 -4.398 -9.112 -3.192 1.00 73.35 C ATOM 1073 CG GLU A 63 -3.775 -10.433 -3.629 1.00 73.24 C ATOM 1074 CD GLU A 63 -4.502 -11.664 -3.110 1.00 14.44 C ATOM 1075 OE1 GLU A 63 -4.408 -11.954 -1.900 1.00 42.32 O ATOM 1076 OE2 GLU A 63 -5.150 -12.361 -3.917 1.00 62.22 O ATOM 0 H GLU A 63 -5.579 -10.332 -5.069 1.00 31.12 H new ATOM 0 HA GLU A 63 -6.468 -9.255 -2.632 1.00 72.21 H new ATOM 0 HB2 GLU A 63 -3.852 -8.298 -3.669 1.00 73.35 H new ATOM 0 HB3 GLU A 63 -4.258 -9.003 -2.117 1.00 73.35 H new ATOM 0 HG2 GLU A 63 -3.753 -10.469 -4.718 1.00 73.24 H new ATOM 0 HG3 GLU A 63 -2.740 -10.465 -3.288 1.00 73.24 H new ATOM 1083 N LEU A 64 -5.986 -7.109 -5.105 1.00 31.23 N ATOM 1084 CA LEU A 64 -6.336 -5.776 -5.618 1.00 1.24 C ATOM 1085 C LEU A 64 -7.794 -5.430 -5.277 1.00 14.13 C ATOM 1086 O LEU A 64 -8.095 -4.377 -4.698 1.00 53.21 O ATOM 1087 CB LEU A 64 -6.141 -5.760 -7.144 1.00 74.33 C ATOM 1088 CG LEU A 64 -6.434 -4.425 -7.856 1.00 0.23 C ATOM 1089 CD1 LEU A 64 -5.330 -3.411 -7.586 1.00 73.03 C ATOM 1090 CD2 LEU A 64 -6.617 -4.642 -9.357 1.00 54.13 C ATOM 0 H LEU A 64 -5.576 -7.727 -5.806 1.00 31.23 H new ATOM 0 HA LEU A 64 -5.689 -5.033 -5.152 1.00 1.24 H new ATOM 0 HB2 LEU A 64 -5.111 -6.044 -7.360 1.00 74.33 H new ATOM 0 HB3 LEU A 64 -6.781 -6.527 -7.579 1.00 74.33 H new ATOM 0 HG LEU A 64 -7.365 -4.024 -7.454 1.00 0.23 H new ATOM 0 HD11 LEU A 64 -5.560 -2.477 -8.099 1.00 73.03 H new ATOM 0 HD12 LEU A 64 -5.259 -3.228 -6.514 1.00 73.03 H new ATOM 0 HD13 LEU A 64 -4.380 -3.801 -7.951 1.00 73.03 H new ATOM 0 HD21 LEU A 64 -6.823 -3.687 -9.840 1.00 54.13 H new ATOM 0 HD22 LEU A 64 -5.707 -5.072 -9.776 1.00 54.13 H new ATOM 0 HD23 LEU A 64 -7.452 -5.322 -9.527 1.00 54.13 H new ATOM 1102 N ASP A 65 -8.691 -6.343 -5.637 1.00 43.43 N ATOM 1103 CA ASP A 65 -10.117 -6.187 -5.366 1.00 54.15 C ATOM 1104 C ASP A 65 -10.393 -6.090 -3.856 1.00 45.23 C ATOM 1105 O ASP A 65 -11.025 -5.138 -3.398 1.00 74.32 O ATOM 1106 CB ASP A 65 -10.891 -7.360 -5.981 1.00 33.21 C ATOM 1107 CG ASP A 65 -12.391 -7.159 -5.916 1.00 24.52 C ATOM 1108 OD1 ASP A 65 -12.916 -6.332 -6.692 1.00 52.13 O ATOM 1109 OD2 ASP A 65 -13.055 -7.818 -5.093 1.00 74.13 O ATOM 0 H ASP A 65 -8.452 -7.208 -6.122 1.00 43.43 H new ATOM 0 HA ASP A 65 -10.454 -5.256 -5.821 1.00 54.15 H new ATOM 0 HB2 ASP A 65 -10.589 -7.486 -7.021 1.00 33.21 H new ATOM 0 HB3 ASP A 65 -10.627 -8.280 -5.459 1.00 33.21 H new ATOM 1114 N LYS A 66 -9.894 -7.062 -3.092 1.00 24.23 N ATOM 1115 CA LYS A 66 -10.111 -7.107 -1.638 1.00 53.40 C ATOM 1116 C LYS A 66 -9.601 -5.841 -0.931 1.00 2.33 C ATOM 1117 O LYS A 66 -10.271 -5.304 -0.045 1.00 64.13 O ATOM 1118 CB LYS A 66 -9.422 -8.339 -1.034 1.00 62.52 C ATOM 1119 CG LYS A 66 -9.944 -9.674 -1.561 1.00 21.33 C ATOM 1120 CD LYS A 66 -11.445 -9.871 -1.324 1.00 15.30 C ATOM 1121 CE LYS A 66 -11.817 -9.937 0.159 1.00 25.32 C ATOM 1122 NZ LYS A 66 -11.776 -8.609 0.831 1.00 1.45 N ATOM 0 H LYS A 66 -9.334 -7.834 -3.454 1.00 24.23 H new ATOM 0 HA LYS A 66 -11.188 -7.167 -1.481 1.00 53.40 H new ATOM 0 HB2 LYS A 66 -8.352 -8.277 -1.233 1.00 62.52 H new ATOM 0 HB3 LYS A 66 -9.546 -8.316 0.049 1.00 62.52 H new ATOM 0 HG2 LYS A 66 -9.740 -9.740 -2.630 1.00 21.33 H new ATOM 0 HG3 LYS A 66 -9.397 -10.486 -1.081 1.00 21.33 H new ATOM 0 HD2 LYS A 66 -11.991 -9.052 -1.793 1.00 15.30 H new ATOM 0 HD3 LYS A 66 -11.766 -10.790 -1.814 1.00 15.30 H new ATOM 0 HE2 LYS A 66 -12.818 -10.357 0.258 1.00 25.32 H new ATOM 0 HE3 LYS A 66 -11.134 -10.617 0.669 1.00 25.32 H new ATOM 0 HZ1 LYS A 66 -12.102 -8.707 1.814 1.00 1.45 H new ATOM 0 HZ2 LYS A 66 -10.801 -8.246 0.824 1.00 1.45 H new ATOM 0 HZ3 LYS A 66 -12.396 -7.945 0.325 1.00 1.45 H new ATOM 1136 N ALA A 67 -8.420 -5.374 -1.326 1.00 22.53 N ATOM 1137 CA ALA A 67 -7.806 -4.188 -0.724 1.00 22.00 C ATOM 1138 C ALA A 67 -8.728 -2.963 -0.806 1.00 61.25 C ATOM 1139 O ALA A 67 -9.032 -2.332 0.210 1.00 41.33 O ATOM 1140 CB ALA A 67 -6.472 -3.893 -1.396 1.00 23.11 C ATOM 0 H ALA A 67 -7.863 -5.801 -2.066 1.00 22.53 H new ATOM 0 HA ALA A 67 -7.639 -4.400 0.332 1.00 22.00 H new ATOM 0 HB1 ALA A 67 -6.023 -3.010 -0.942 1.00 23.11 H new ATOM 0 HB2 ALA A 67 -5.804 -4.745 -1.269 1.00 23.11 H new ATOM 0 HB3 ALA A 67 -6.632 -3.713 -2.459 1.00 23.11 H new ATOM 1146 N LYS A 68 -9.185 -2.632 -2.017 1.00 64.12 N ATOM 1147 CA LYS A 68 -10.092 -1.494 -2.193 1.00 45.03 C ATOM 1148 C LYS A 68 -11.480 -1.804 -1.602 1.00 73.34 C ATOM 1149 O LYS A 68 -12.165 -0.918 -1.092 1.00 0.31 O ATOM 1150 CB LYS A 68 -10.215 -1.104 -3.679 1.00 14.25 C ATOM 1151 CG LYS A 68 -11.089 -2.038 -4.516 1.00 13.12 C ATOM 1152 CD LYS A 68 -11.108 -1.619 -5.986 1.00 34.40 C ATOM 1153 CE LYS A 68 -12.254 -2.271 -6.755 1.00 50.44 C ATOM 1154 NZ LYS A 68 -12.212 -3.754 -6.680 1.00 31.12 N ATOM 0 H LYS A 68 -8.947 -3.126 -2.877 1.00 64.12 H new ATOM 0 HA LYS A 68 -9.668 -0.646 -1.654 1.00 45.03 H new ATOM 0 HB2 LYS A 68 -10.621 -0.095 -3.743 1.00 14.25 H new ATOM 0 HB3 LYS A 68 -9.217 -1.074 -4.116 1.00 14.25 H new ATOM 0 HG2 LYS A 68 -10.716 -3.059 -4.432 1.00 13.12 H new ATOM 0 HG3 LYS A 68 -12.106 -2.036 -4.123 1.00 13.12 H new ATOM 0 HD2 LYS A 68 -11.198 -0.535 -6.052 1.00 34.40 H new ATOM 0 HD3 LYS A 68 -10.160 -1.889 -6.452 1.00 34.40 H new ATOM 0 HE2 LYS A 68 -13.204 -1.916 -6.356 1.00 50.44 H new ATOM 0 HE3 LYS A 68 -12.211 -1.961 -7.799 1.00 50.44 H new ATOM 0 HZ1 LYS A 68 -13.071 -4.148 -7.114 1.00 31.12 H new ATOM 0 HZ2 LYS A 68 -11.375 -4.104 -7.189 1.00 31.12 H new ATOM 0 HZ3 LYS A 68 -12.160 -4.050 -5.684 1.00 31.12 H new ATOM 1168 N GLU A 69 -11.876 -3.076 -1.667 1.00 5.22 N ATOM 1169 CA GLU A 69 -13.155 -3.544 -1.134 1.00 1.44 C ATOM 1170 C GLU A 69 -13.279 -3.253 0.376 1.00 52.41 C ATOM 1171 O GLU A 69 -14.319 -2.791 0.852 1.00 70.44 O ATOM 1172 CB GLU A 69 -13.260 -5.046 -1.430 1.00 30.02 C ATOM 1173 CG GLU A 69 -14.649 -5.650 -1.302 1.00 64.20 C ATOM 1174 CD GLU A 69 -14.909 -6.267 0.061 1.00 33.34 C ATOM 1175 OE1 GLU A 69 -14.104 -7.120 0.496 1.00 64.34 O ATOM 1176 OE2 GLU A 69 -15.910 -5.902 0.706 1.00 55.03 O ATOM 0 H GLU A 69 -11.315 -3.814 -2.093 1.00 5.22 H new ATOM 0 HA GLU A 69 -13.977 -3.011 -1.612 1.00 1.44 H new ATOM 0 HB2 GLU A 69 -12.899 -5.224 -2.443 1.00 30.02 H new ATOM 0 HB3 GLU A 69 -12.589 -5.578 -0.755 1.00 30.02 H new ATOM 0 HG2 GLU A 69 -15.393 -4.877 -1.492 1.00 64.20 H new ATOM 0 HG3 GLU A 69 -14.779 -6.413 -2.070 1.00 64.20 H new ATOM 1183 N LEU A 70 -12.208 -3.514 1.124 1.00 60.33 N ATOM 1184 CA LEU A 70 -12.154 -3.169 2.552 1.00 73.14 C ATOM 1185 C LEU A 70 -12.275 -1.650 2.770 1.00 3.31 C ATOM 1186 O LEU A 70 -13.042 -1.192 3.623 1.00 20.41 O ATOM 1187 CB LEU A 70 -10.848 -3.683 3.178 1.00 64.14 C ATOM 1188 CG LEU A 70 -10.797 -5.193 3.465 1.00 22.14 C ATOM 1189 CD1 LEU A 70 -9.404 -5.606 3.934 1.00 40.40 C ATOM 1190 CD2 LEU A 70 -11.845 -5.572 4.509 1.00 31.04 C ATOM 0 H LEU A 70 -11.364 -3.963 0.769 1.00 60.33 H new ATOM 0 HA LEU A 70 -13.002 -3.651 3.039 1.00 73.14 H new ATOM 0 HB2 LEU A 70 -10.023 -3.430 2.512 1.00 64.14 H new ATOM 0 HB3 LEU A 70 -10.679 -3.148 4.112 1.00 64.14 H new ATOM 0 HG LEU A 70 -11.019 -5.726 2.540 1.00 22.14 H new ATOM 0 HD11 LEU A 70 -9.390 -6.678 4.132 1.00 40.40 H new ATOM 0 HD12 LEU A 70 -8.674 -5.370 3.159 1.00 40.40 H new ATOM 0 HD13 LEU A 70 -9.152 -5.065 4.846 1.00 40.40 H new ATOM 0 HD21 LEU A 70 -11.796 -6.644 4.701 1.00 31.04 H new ATOM 0 HD22 LEU A 70 -11.651 -5.028 5.434 1.00 31.04 H new ATOM 0 HD23 LEU A 70 -12.837 -5.315 4.139 1.00 31.04 H new ATOM 1202 N ALA A 71 -11.519 -0.878 1.992 1.00 43.25 N ATOM 1203 CA ALA A 71 -11.536 0.586 2.093 1.00 31.04 C ATOM 1204 C ALA A 71 -12.938 1.162 1.830 1.00 2.44 C ATOM 1205 O ALA A 71 -13.412 2.032 2.563 1.00 43.52 O ATOM 1206 CB ALA A 71 -10.527 1.185 1.123 1.00 53.25 C ATOM 0 H ALA A 71 -10.884 -1.240 1.281 1.00 43.25 H new ATOM 0 HA ALA A 71 -11.260 0.853 3.113 1.00 31.04 H new ATOM 0 HB1 ALA A 71 -10.546 2.272 1.204 1.00 53.25 H new ATOM 0 HB2 ALA A 71 -9.529 0.820 1.365 1.00 53.25 H new ATOM 0 HB3 ALA A 71 -10.783 0.893 0.105 1.00 53.25 H new ATOM 1212 N GLN A 72 -13.599 0.660 0.785 1.00 72.32 N ATOM 1213 CA GLN A 72 -14.957 1.098 0.433 1.00 44.15 C ATOM 1214 C GLN A 72 -15.950 0.836 1.579 1.00 61.21 C ATOM 1215 O GLN A 72 -16.858 1.637 1.824 1.00 63.41 O ATOM 1216 CB GLN A 72 -15.431 0.389 -0.846 1.00 3.22 C ATOM 1217 CG GLN A 72 -14.588 0.709 -2.080 1.00 30.12 C ATOM 1218 CD GLN A 72 -15.016 -0.064 -3.322 1.00 41.22 C ATOM 1219 OE1 GLN A 72 -14.870 0.410 -4.444 1.00 32.41 O ATOM 1220 NE2 GLN A 72 -15.537 -1.262 -3.137 1.00 14.24 N ATOM 0 H GLN A 72 -13.217 -0.053 0.164 1.00 72.32 H new ATOM 0 HA GLN A 72 -14.923 2.173 0.257 1.00 44.15 H new ATOM 0 HB2 GLN A 72 -15.418 -0.688 -0.679 1.00 3.22 H new ATOM 0 HB3 GLN A 72 -16.466 0.669 -1.043 1.00 3.22 H new ATOM 0 HG2 GLN A 72 -14.650 1.777 -2.287 1.00 30.12 H new ATOM 0 HG3 GLN A 72 -13.543 0.486 -1.865 1.00 30.12 H new ATOM 0 HE21 GLN A 72 -15.646 -1.630 -2.192 1.00 14.24 H new ATOM 0 HE22 GLN A 72 -15.831 -1.820 -3.939 1.00 14.24 H new ATOM 1229 N LYS A 73 -15.776 -0.287 2.283 1.00 43.01 N ATOM 1230 CA LYS A 73 -16.654 -0.629 3.412 1.00 2.04 C ATOM 1231 C LYS A 73 -16.489 0.345 4.593 1.00 22.51 C ATOM 1232 O LYS A 73 -17.472 0.740 5.218 1.00 14.34 O ATOM 1233 CB LYS A 73 -16.413 -2.074 3.888 1.00 33.14 C ATOM 1234 CG LYS A 73 -16.817 -3.141 2.867 1.00 42.22 C ATOM 1235 CD LYS A 73 -17.055 -4.505 3.522 1.00 64.21 C ATOM 1236 CE LYS A 73 -15.782 -5.104 4.111 1.00 71.33 C ATOM 1237 NZ LYS A 73 -14.817 -5.516 3.058 1.00 21.02 N ATOM 0 H LYS A 73 -15.043 -0.971 2.095 1.00 43.01 H new ATOM 0 HA LYS A 73 -17.677 -0.542 3.046 1.00 2.04 H new ATOM 0 HB2 LYS A 73 -15.356 -2.196 4.127 1.00 33.14 H new ATOM 0 HB3 LYS A 73 -16.969 -2.239 4.811 1.00 33.14 H new ATOM 0 HG2 LYS A 73 -17.724 -2.824 2.351 1.00 42.22 H new ATOM 0 HG3 LYS A 73 -16.036 -3.233 2.112 1.00 42.22 H new ATOM 0 HD2 LYS A 73 -17.801 -4.400 4.310 1.00 64.21 H new ATOM 0 HD3 LYS A 73 -17.467 -5.192 2.783 1.00 64.21 H new ATOM 0 HE2 LYS A 73 -15.310 -4.375 4.769 1.00 71.33 H new ATOM 0 HE3 LYS A 73 -16.039 -5.968 4.724 1.00 71.33 H new ATOM 0 HZ1 LYS A 73 -14.094 -6.138 3.474 1.00 21.02 H new ATOM 0 HZ2 LYS A 73 -15.321 -6.027 2.305 1.00 21.02 H new ATOM 0 HZ3 LYS A 73 -14.359 -4.672 2.657 1.00 21.02 H new ATOM 1251 N MET A 74 -15.249 0.732 4.896 1.00 53.43 N ATOM 1252 CA MET A 74 -14.977 1.638 6.028 1.00 3.24 C ATOM 1253 C MET A 74 -14.832 3.106 5.585 1.00 62.43 C ATOM 1254 O MET A 74 -14.550 3.980 6.411 1.00 31.20 O ATOM 1255 CB MET A 74 -13.711 1.189 6.774 1.00 10.03 C ATOM 1256 CG MET A 74 -13.883 -0.114 7.549 1.00 51.24 C ATOM 1257 SD MET A 74 -12.395 -0.592 8.450 1.00 71.24 S ATOM 1258 CE MET A 74 -11.262 -0.921 7.100 1.00 45.11 C ATOM 0 H MET A 74 -14.419 0.438 4.382 1.00 53.43 H new ATOM 0 HA MET A 74 -15.837 1.583 6.695 1.00 3.24 H new ATOM 0 HB2 MET A 74 -12.900 1.069 6.055 1.00 10.03 H new ATOM 0 HB3 MET A 74 -13.410 1.976 7.466 1.00 10.03 H new ATOM 0 HG2 MET A 74 -14.709 -0.007 8.252 1.00 51.24 H new ATOM 0 HG3 MET A 74 -14.155 -0.911 6.856 1.00 51.24 H new ATOM 0 HE1 MET A 74 -10.445 -1.549 7.455 1.00 45.11 H new ATOM 0 HE2 MET A 74 -11.792 -1.434 6.297 1.00 45.11 H new ATOM 0 HE3 MET A 74 -10.859 0.020 6.725 1.00 45.11 H new ATOM 1268 N GLU A 75 -15.038 3.364 4.291 1.00 63.51 N ATOM 1269 CA GLU A 75 -14.928 4.716 3.717 1.00 42.43 C ATOM 1270 C GLU A 75 -13.502 5.281 3.853 1.00 32.32 C ATOM 1271 O GLU A 75 -13.237 6.144 4.692 1.00 43.44 O ATOM 1272 CB GLU A 75 -15.945 5.678 4.360 1.00 25.41 C ATOM 1273 CG GLU A 75 -17.402 5.259 4.174 1.00 3.54 C ATOM 1274 CD GLU A 75 -18.380 6.271 4.753 1.00 33.21 C ATOM 1275 OE1 GLU A 75 -18.604 6.254 5.984 1.00 61.41 O ATOM 1276 OE2 GLU A 75 -18.922 7.090 3.981 1.00 52.42 O ATOM 0 H GLU A 75 -15.285 2.646 3.610 1.00 63.51 H new ATOM 0 HA GLU A 75 -15.155 4.629 2.654 1.00 42.43 H new ATOM 0 HB2 GLU A 75 -15.733 5.754 5.427 1.00 25.41 H new ATOM 0 HB3 GLU A 75 -15.807 6.673 3.936 1.00 25.41 H new ATOM 0 HG2 GLU A 75 -17.606 5.129 3.111 1.00 3.54 H new ATOM 0 HG3 GLU A 75 -17.562 4.291 4.650 1.00 3.54 H new ATOM 1283 N ILE A 76 -12.582 4.772 3.034 1.00 13.22 N ATOM 1284 CA ILE A 76 -11.182 5.222 3.061 1.00 64.10 C ATOM 1285 C ILE A 76 -10.663 5.532 1.645 1.00 14.22 C ATOM 1286 O ILE A 76 -10.815 4.726 0.727 1.00 52.21 O ATOM 1287 CB ILE A 76 -10.267 4.152 3.718 1.00 43.12 C ATOM 1288 CG1 ILE A 76 -10.794 3.784 5.116 1.00 1.54 C ATOM 1289 CG2 ILE A 76 -8.824 4.654 3.801 1.00 63.21 C ATOM 1290 CD1 ILE A 76 -10.011 2.687 5.803 1.00 52.41 C ATOM 0 H ILE A 76 -12.776 4.048 2.342 1.00 13.22 H new ATOM 0 HA ILE A 76 -11.152 6.136 3.654 1.00 64.10 H new ATOM 0 HB ILE A 76 -10.280 3.257 3.096 1.00 43.12 H new ATOM 0 HG12 ILE A 76 -10.778 4.675 5.744 1.00 1.54 H new ATOM 0 HG13 ILE A 76 -11.835 3.473 5.030 1.00 1.54 H new ATOM 0 HG21 ILE A 76 -8.199 3.890 4.264 1.00 63.21 H new ATOM 0 HG22 ILE A 76 -8.454 4.866 2.798 1.00 63.21 H new ATOM 0 HG23 ILE A 76 -8.789 5.564 4.400 1.00 63.21 H new ATOM 0 HD11 ILE A 76 -10.446 2.488 6.782 1.00 52.41 H new ATOM 0 HD12 ILE A 76 -10.047 1.781 5.198 1.00 52.41 H new ATOM 0 HD13 ILE A 76 -8.974 3.001 5.924 1.00 52.41 H new ATOM 1302 N ASP A 77 -10.043 6.703 1.482 1.00 13.30 N ATOM 1303 CA ASP A 77 -9.523 7.135 0.178 1.00 25.20 C ATOM 1304 C ASP A 77 -8.167 6.464 -0.128 1.00 4.32 C ATOM 1305 O ASP A 77 -7.107 6.946 0.291 1.00 34.53 O ATOM 1306 CB ASP A 77 -9.388 8.667 0.162 1.00 22.43 C ATOM 1307 CG ASP A 77 -9.228 9.236 -1.239 1.00 61.42 C ATOM 1308 OD1 ASP A 77 -8.141 9.073 -1.830 1.00 72.43 O ATOM 1309 OD2 ASP A 77 -10.170 9.884 -1.736 1.00 0.10 O ATOM 0 H ASP A 77 -9.888 7.371 2.237 1.00 13.30 H new ATOM 0 HA ASP A 77 -10.224 6.829 -0.599 1.00 25.20 H new ATOM 0 HB2 ASP A 77 -10.269 9.108 0.629 1.00 22.43 H new ATOM 0 HB3 ASP A 77 -8.528 8.957 0.766 1.00 22.43 H new ATOM 1314 N VAL A 78 -8.215 5.338 -0.843 1.00 31.41 N ATOM 1315 CA VAL A 78 -7.009 4.557 -1.159 1.00 73.12 C ATOM 1316 C VAL A 78 -6.705 4.537 -2.668 1.00 43.53 C ATOM 1317 O VAL A 78 -7.546 4.892 -3.495 1.00 24.11 O ATOM 1318 CB VAL A 78 -7.142 3.091 -0.665 1.00 31.14 C ATOM 1319 CG1 VAL A 78 -7.394 3.040 0.843 1.00 42.54 C ATOM 1320 CG2 VAL A 78 -8.245 2.353 -1.431 1.00 10.34 C ATOM 0 H VAL A 78 -9.078 4.942 -1.217 1.00 31.41 H new ATOM 0 HA VAL A 78 -6.188 5.051 -0.640 1.00 73.12 H new ATOM 0 HB VAL A 78 -6.198 2.584 -0.863 1.00 31.14 H new ATOM 0 HG11 VAL A 78 -7.483 2.002 1.162 1.00 42.54 H new ATOM 0 HG12 VAL A 78 -6.562 3.511 1.367 1.00 42.54 H new ATOM 0 HG13 VAL A 78 -8.317 3.572 1.076 1.00 42.54 H new ATOM 0 HG21 VAL A 78 -8.318 1.328 -1.066 1.00 10.34 H new ATOM 0 HG22 VAL A 78 -9.197 2.861 -1.278 1.00 10.34 H new ATOM 0 HG23 VAL A 78 -8.006 2.343 -2.494 1.00 10.34 H new ATOM 1330 N ARG A 79 -5.490 4.115 -3.012 1.00 53.13 N ATOM 1331 CA ARG A 79 -5.085 3.944 -4.410 1.00 51.12 C ATOM 1332 C ARG A 79 -4.327 2.616 -4.577 1.00 62.21 C ATOM 1333 O ARG A 79 -3.107 2.553 -4.426 1.00 0.14 O ATOM 1334 CB ARG A 79 -4.222 5.135 -4.860 1.00 0.35 C ATOM 1335 CG ARG A 79 -3.880 5.140 -6.351 1.00 54.25 C ATOM 1336 CD ARG A 79 -3.155 6.420 -6.757 1.00 65.53 C ATOM 1337 NE ARG A 79 -2.821 6.453 -8.183 1.00 3.44 N ATOM 1338 CZ ARG A 79 -2.580 7.552 -8.852 1.00 55.51 C ATOM 1339 NH1 ARG A 79 -2.720 8.711 -8.285 1.00 25.14 N ATOM 1340 NH2 ARG A 79 -2.224 7.487 -10.099 1.00 62.10 N ATOM 0 H ARG A 79 -4.762 3.883 -2.337 1.00 53.13 H new ATOM 0 HA ARG A 79 -5.973 3.912 -5.041 1.00 51.12 H new ATOM 0 HB2 ARG A 79 -4.745 6.060 -4.617 1.00 0.35 H new ATOM 0 HB3 ARG A 79 -3.295 5.133 -4.287 1.00 0.35 H new ATOM 0 HG2 ARG A 79 -3.255 4.278 -6.584 1.00 54.25 H new ATOM 0 HG3 ARG A 79 -4.795 5.038 -6.935 1.00 54.25 H new ATOM 0 HD2 ARG A 79 -3.780 7.279 -6.515 1.00 65.53 H new ATOM 0 HD3 ARG A 79 -2.241 6.516 -6.172 1.00 65.53 H new ATOM 0 HE ARG A 79 -2.773 5.566 -8.685 1.00 3.44 H new ATOM 0 HH11 ARG A 79 -3.020 8.770 -7.312 1.00 25.14 H new ATOM 0 HH12 ARG A 79 -2.530 9.563 -8.813 1.00 25.14 H new ATOM 0 HH21 ARG A 79 -2.132 6.580 -10.557 1.00 62.10 H new ATOM 0 HH22 ARG A 79 -2.036 8.343 -10.621 1.00 62.10 H new ATOM 1354 N THR A 80 -5.072 1.549 -4.852 1.00 44.14 N ATOM 1355 CA THR A 80 -4.507 0.192 -4.926 1.00 33.25 C ATOM 1356 C THR A 80 -4.020 -0.152 -6.344 1.00 44.24 C ATOM 1357 O THR A 80 -4.692 0.149 -7.334 1.00 4.43 O ATOM 1358 CB THR A 80 -5.553 -0.868 -4.489 1.00 5.23 C ATOM 1359 OG1 THR A 80 -6.226 -0.435 -3.296 1.00 61.42 O ATOM 1360 CG2 THR A 80 -4.896 -2.221 -4.228 1.00 61.32 C ATOM 0 H THR A 80 -6.076 1.592 -5.029 1.00 44.14 H new ATOM 0 HA THR A 80 -3.654 0.174 -4.247 1.00 33.25 H new ATOM 0 HB THR A 80 -6.271 -0.979 -5.302 1.00 5.23 H new ATOM 0 HG1 THR A 80 -6.885 -1.109 -3.029 1.00 61.42 H new ATOM 0 HG21 THR A 80 -5.655 -2.941 -3.924 1.00 61.32 H new ATOM 0 HG22 THR A 80 -4.408 -2.570 -5.138 1.00 61.32 H new ATOM 0 HG23 THR A 80 -4.155 -2.119 -3.435 1.00 61.32 H new ATOM 1368 N ARG A 81 -2.854 -0.790 -6.433 1.00 44.15 N ATOM 1369 CA ARG A 81 -2.268 -1.196 -7.719 1.00 2.22 C ATOM 1370 C ARG A 81 -1.590 -2.573 -7.625 1.00 51.53 C ATOM 1371 O ARG A 81 -1.161 -2.999 -6.553 1.00 2.43 O ATOM 1372 CB ARG A 81 -1.257 -0.142 -8.205 1.00 71.12 C ATOM 1373 CG ARG A 81 -1.906 1.071 -8.864 1.00 54.35 C ATOM 1374 CD ARG A 81 -2.684 0.664 -10.111 1.00 20.43 C ATOM 1375 NE ARG A 81 -3.234 1.807 -10.836 1.00 71.22 N ATOM 1376 CZ ARG A 81 -3.579 1.769 -12.096 1.00 25.44 C ATOM 1377 NH1 ARG A 81 -3.411 0.686 -12.790 1.00 72.04 N ATOM 1378 NH2 ARG A 81 -4.087 2.817 -12.660 1.00 22.41 N ATOM 0 H ARG A 81 -2.288 -1.041 -5.623 1.00 44.15 H new ATOM 0 HA ARG A 81 -3.082 -1.272 -8.440 1.00 2.22 H new ATOM 0 HB2 ARG A 81 -0.659 0.193 -7.358 1.00 71.12 H new ATOM 0 HB3 ARG A 81 -0.573 -0.607 -8.915 1.00 71.12 H new ATOM 0 HG2 ARG A 81 -2.576 1.559 -8.156 1.00 54.35 H new ATOM 0 HG3 ARG A 81 -1.139 1.798 -9.131 1.00 54.35 H new ATOM 0 HD2 ARG A 81 -2.028 0.101 -10.775 1.00 20.43 H new ATOM 0 HD3 ARG A 81 -3.497 -0.003 -9.824 1.00 20.43 H new ATOM 0 HE ARG A 81 -3.356 2.684 -10.330 1.00 71.22 H new ATOM 0 HH11 ARG A 81 -3.008 -0.143 -12.353 1.00 72.04 H new ATOM 0 HH12 ARG A 81 -3.682 0.663 -13.773 1.00 72.04 H new ATOM 0 HH21 ARG A 81 -4.218 3.673 -12.121 1.00 22.41 H new ATOM 0 HH22 ARG A 81 -4.356 2.787 -13.643 1.00 22.41 H new ATOM 1392 N LYS A 82 -1.495 -3.265 -8.759 1.00 42.33 N ATOM 1393 CA LYS A 82 -0.878 -4.596 -8.812 1.00 55.44 C ATOM 1394 C LYS A 82 0.550 -4.527 -9.380 1.00 11.01 C ATOM 1395 O LYS A 82 0.818 -3.773 -10.317 1.00 13.03 O ATOM 1396 CB LYS A 82 -1.732 -5.544 -9.666 1.00 30.14 C ATOM 1397 CG LYS A 82 -1.223 -6.983 -9.682 1.00 42.43 C ATOM 1398 CD LYS A 82 -2.017 -7.857 -10.649 1.00 44.23 C ATOM 1399 CE LYS A 82 -1.928 -7.338 -12.079 1.00 21.12 C ATOM 1400 NZ LYS A 82 -2.686 -8.194 -13.027 1.00 65.50 N ATOM 0 H LYS A 82 -1.838 -2.927 -9.658 1.00 42.33 H new ATOM 0 HA LYS A 82 -0.823 -4.979 -7.793 1.00 55.44 H new ATOM 0 HB2 LYS A 82 -2.755 -5.534 -9.291 1.00 30.14 H new ATOM 0 HB3 LYS A 82 -1.764 -5.168 -10.689 1.00 30.14 H new ATOM 0 HG2 LYS A 82 -0.170 -6.993 -9.965 1.00 42.43 H new ATOM 0 HG3 LYS A 82 -1.287 -7.402 -8.678 1.00 42.43 H new ATOM 0 HD2 LYS A 82 -1.641 -8.879 -10.609 1.00 44.23 H new ATOM 0 HD3 LYS A 82 -3.061 -7.889 -10.338 1.00 44.23 H new ATOM 0 HE2 LYS A 82 -2.315 -6.320 -12.120 1.00 21.12 H new ATOM 0 HE3 LYS A 82 -0.883 -7.295 -12.385 1.00 21.12 H new ATOM 0 HZ1 LYS A 82 -2.366 -8.005 -13.998 1.00 65.50 H new ATOM 0 HZ2 LYS A 82 -2.523 -9.195 -12.798 1.00 65.50 H new ATOM 0 HZ3 LYS A 82 -3.701 -7.983 -12.950 1.00 65.50 H new ATOM 1414 N VAL A 83 1.459 -5.318 -8.810 1.00 21.43 N ATOM 1415 CA VAL A 83 2.861 -5.356 -9.251 1.00 43.31 C ATOM 1416 C VAL A 83 3.324 -6.794 -9.543 1.00 54.33 C ATOM 1417 O VAL A 83 2.810 -7.756 -8.965 1.00 25.55 O ATOM 1418 CB VAL A 83 3.803 -4.735 -8.184 1.00 11.33 C ATOM 1419 CG1 VAL A 83 3.444 -3.273 -7.934 1.00 14.13 C ATOM 1420 CG2 VAL A 83 3.756 -5.536 -6.882 1.00 11.50 C ATOM 0 H VAL A 83 1.251 -5.948 -8.035 1.00 21.43 H new ATOM 0 HA VAL A 83 2.914 -4.770 -10.169 1.00 43.31 H new ATOM 0 HB VAL A 83 4.823 -4.775 -8.567 1.00 11.33 H new ATOM 0 HG11 VAL A 83 4.116 -2.857 -7.183 1.00 14.13 H new ATOM 0 HG12 VAL A 83 3.543 -2.710 -8.862 1.00 14.13 H new ATOM 0 HG13 VAL A 83 2.416 -3.207 -7.578 1.00 14.13 H new ATOM 0 HG21 VAL A 83 4.424 -5.081 -6.151 1.00 11.50 H new ATOM 0 HG22 VAL A 83 2.738 -5.537 -6.492 1.00 11.50 H new ATOM 0 HG23 VAL A 83 4.072 -6.561 -7.074 1.00 11.50 H new ATOM 1430 N THR A 84 4.284 -6.938 -10.455 1.00 11.02 N ATOM 1431 CA THR A 84 4.897 -8.247 -10.749 1.00 13.43 C ATOM 1432 C THR A 84 6.394 -8.240 -10.418 1.00 0.11 C ATOM 1433 O THR A 84 6.891 -9.099 -9.693 1.00 72.34 O ATOM 1434 CB THR A 84 4.727 -8.651 -12.235 1.00 12.21 C ATOM 1435 OG1 THR A 84 5.439 -7.733 -13.086 1.00 54.12 O ATOM 1436 CG2 THR A 84 3.253 -8.681 -12.633 1.00 23.53 C ATOM 0 H THR A 84 4.660 -6.167 -11.008 1.00 11.02 H new ATOM 0 HA THR A 84 4.378 -8.973 -10.123 1.00 13.43 H new ATOM 0 HB THR A 84 5.139 -9.653 -12.358 1.00 12.21 H new ATOM 0 HG1 THR A 84 5.326 -8.000 -14.022 1.00 54.12 H new ATOM 0 HG21 THR A 84 3.165 -8.968 -13.681 1.00 23.53 H new ATOM 0 HG22 THR A 84 2.723 -9.404 -12.013 1.00 23.53 H new ATOM 0 HG23 THR A 84 2.817 -7.692 -12.489 1.00 23.53 H new ATOM 1444 N SER A 85 7.110 -7.263 -10.970 1.00 51.42 N ATOM 1445 CA SER A 85 8.555 -7.114 -10.737 1.00 64.13 C ATOM 1446 C SER A 85 8.835 -6.094 -9.623 1.00 74.14 C ATOM 1447 O SER A 85 8.034 -5.188 -9.391 1.00 31.43 O ATOM 1448 CB SER A 85 9.249 -6.671 -12.036 1.00 61.13 C ATOM 1449 OG SER A 85 8.975 -7.574 -13.097 1.00 22.43 O ATOM 0 H SER A 85 6.714 -6.554 -11.588 1.00 51.42 H new ATOM 0 HA SER A 85 8.951 -8.079 -10.422 1.00 64.13 H new ATOM 0 HB2 SER A 85 8.912 -5.671 -12.309 1.00 61.13 H new ATOM 0 HB3 SER A 85 10.325 -6.611 -11.874 1.00 61.13 H new ATOM 0 HG SER A 85 9.426 -7.268 -13.911 1.00 22.43 H new ATOM 1455 N PRO A 86 9.977 -6.221 -8.914 1.00 42.31 N ATOM 1456 CA PRO A 86 10.358 -5.275 -7.846 1.00 13.15 C ATOM 1457 C PRO A 86 10.296 -3.803 -8.290 1.00 54.34 C ATOM 1458 O PRO A 86 9.776 -2.944 -7.573 1.00 23.34 O ATOM 1459 CB PRO A 86 11.802 -5.680 -7.517 1.00 41.15 C ATOM 1460 CG PRO A 86 11.874 -7.128 -7.875 1.00 21.11 C ATOM 1461 CD PRO A 86 10.977 -7.300 -9.075 1.00 63.12 C ATOM 0 HA PRO A 86 9.675 -5.331 -6.998 1.00 13.15 H new ATOM 0 HB2 PRO A 86 12.519 -5.093 -8.090 1.00 41.15 H new ATOM 0 HB3 PRO A 86 12.029 -5.520 -6.463 1.00 41.15 H new ATOM 0 HG2 PRO A 86 12.897 -7.423 -8.106 1.00 21.11 H new ATOM 0 HG3 PRO A 86 11.542 -7.753 -7.046 1.00 21.11 H new ATOM 0 HD2 PRO A 86 11.531 -7.198 -10.008 1.00 63.12 H new ATOM 0 HD3 PRO A 86 10.508 -8.284 -9.088 1.00 63.12 H new ATOM 1469 N ASP A 87 10.820 -3.524 -9.483 1.00 13.00 N ATOM 1470 CA ASP A 87 10.852 -2.160 -10.024 1.00 74.01 C ATOM 1471 C ASP A 87 9.446 -1.584 -10.270 1.00 44.02 C ATOM 1472 O ASP A 87 9.265 -0.365 -10.265 1.00 23.41 O ATOM 1473 CB ASP A 87 11.698 -2.123 -11.297 1.00 2.51 C ATOM 1474 CG ASP A 87 13.141 -2.494 -11.005 1.00 63.14 C ATOM 1475 OD1 ASP A 87 13.452 -3.700 -10.980 1.00 43.11 O ATOM 1476 OD2 ASP A 87 13.963 -1.579 -10.765 1.00 34.05 O ATOM 0 H ASP A 87 11.231 -4.226 -10.098 1.00 13.00 H new ATOM 0 HA ASP A 87 11.313 -1.520 -9.272 1.00 74.01 H new ATOM 0 HB2 ASP A 87 11.284 -2.812 -12.033 1.00 2.51 H new ATOM 0 HB3 ASP A 87 11.657 -1.126 -11.736 1.00 2.51 H new ATOM 1481 N GLU A 88 8.457 -2.454 -10.478 1.00 71.33 N ATOM 1482 CA GLU A 88 7.063 -2.008 -10.590 1.00 70.42 C ATOM 1483 C GLU A 88 6.643 -1.268 -9.310 1.00 24.43 C ATOM 1484 O GLU A 88 6.259 -0.097 -9.349 1.00 23.13 O ATOM 1485 CB GLU A 88 6.119 -3.200 -10.833 1.00 31.34 C ATOM 1486 CG GLU A 88 6.461 -4.038 -12.059 1.00 22.42 C ATOM 1487 CD GLU A 88 6.381 -3.254 -13.359 1.00 31.22 C ATOM 1488 OE1 GLU A 88 5.278 -3.166 -13.940 1.00 55.03 O ATOM 1489 OE2 GLU A 88 7.419 -2.726 -13.804 1.00 23.11 O ATOM 0 H GLU A 88 8.590 -3.461 -10.572 1.00 71.33 H new ATOM 0 HA GLU A 88 6.991 -1.332 -11.442 1.00 70.42 H new ATOM 0 HB2 GLU A 88 6.133 -3.844 -9.953 1.00 31.34 H new ATOM 0 HB3 GLU A 88 5.101 -2.825 -10.937 1.00 31.34 H new ATOM 0 HG2 GLU A 88 7.467 -4.442 -11.947 1.00 22.42 H new ATOM 0 HG3 GLU A 88 5.781 -4.888 -12.112 1.00 22.42 H new ATOM 1496 N ALA A 89 6.747 -1.962 -8.172 1.00 4.14 N ATOM 1497 CA ALA A 89 6.439 -1.370 -6.862 1.00 72.31 C ATOM 1498 C ALA A 89 7.307 -0.133 -6.592 1.00 34.21 C ATOM 1499 O ALA A 89 6.824 0.877 -6.074 1.00 64.31 O ATOM 1500 CB ALA A 89 6.626 -2.405 -5.756 1.00 51.33 C ATOM 0 H ALA A 89 7.043 -2.937 -8.130 1.00 4.14 H new ATOM 0 HA ALA A 89 5.397 -1.051 -6.873 1.00 72.31 H new ATOM 0 HB1 ALA A 89 6.395 -1.953 -4.792 1.00 51.33 H new ATOM 0 HB2 ALA A 89 5.959 -3.249 -5.931 1.00 51.33 H new ATOM 0 HB3 ALA A 89 7.659 -2.754 -5.755 1.00 51.33 H new ATOM 1506 N LYS A 90 8.588 -0.223 -6.953 1.00 61.15 N ATOM 1507 CA LYS A 90 9.509 0.913 -6.839 1.00 61.03 C ATOM 1508 C LYS A 90 8.948 2.167 -7.534 1.00 10.05 C ATOM 1509 O LYS A 90 8.910 3.252 -6.943 1.00 51.13 O ATOM 1510 CB LYS A 90 10.877 0.553 -7.436 1.00 11.03 C ATOM 1511 CG LYS A 90 11.680 -0.454 -6.613 1.00 40.24 C ATOM 1512 CD LYS A 90 12.964 -0.883 -7.325 1.00 62.04 C ATOM 1513 CE LYS A 90 13.799 0.312 -7.782 1.00 13.42 C ATOM 1514 NZ LYS A 90 14.988 -0.106 -8.574 1.00 5.12 N ATOM 0 H LYS A 90 9.013 -1.071 -7.327 1.00 61.15 H new ATOM 0 HA LYS A 90 9.626 1.138 -5.779 1.00 61.03 H new ATOM 0 HB2 LYS A 90 10.728 0.149 -8.437 1.00 11.03 H new ATOM 0 HB3 LYS A 90 11.464 1.465 -7.545 1.00 11.03 H new ATOM 0 HG2 LYS A 90 11.931 -0.015 -5.647 1.00 40.24 H new ATOM 0 HG3 LYS A 90 11.065 -1.332 -6.414 1.00 40.24 H new ATOM 0 HD2 LYS A 90 13.558 -1.504 -6.655 1.00 62.04 H new ATOM 0 HD3 LYS A 90 12.710 -1.498 -8.188 1.00 62.04 H new ATOM 0 HE2 LYS A 90 13.180 0.978 -8.383 1.00 13.42 H new ATOM 0 HE3 LYS A 90 14.126 0.880 -6.911 1.00 13.42 H new ATOM 0 HZ1 LYS A 90 15.488 0.737 -8.921 1.00 5.12 H new ATOM 0 HZ2 LYS A 90 15.627 -0.665 -7.973 1.00 5.12 H new ATOM 0 HZ3 LYS A 90 14.681 -0.683 -9.383 1.00 5.12 H new ATOM 1528 N ARG A 91 8.497 2.014 -8.781 1.00 14.43 N ATOM 1529 CA ARG A 91 7.941 3.145 -9.524 1.00 4.34 C ATOM 1530 C ARG A 91 6.658 3.670 -8.870 1.00 31.25 C ATOM 1531 O ARG A 91 6.495 4.875 -8.711 1.00 1.31 O ATOM 1532 CB ARG A 91 7.650 2.790 -10.988 1.00 42.02 C ATOM 1533 CG ARG A 91 7.093 3.983 -11.760 1.00 3.11 C ATOM 1534 CD ARG A 91 6.690 3.649 -13.188 1.00 55.12 C ATOM 1535 NE ARG A 91 6.090 4.815 -13.834 1.00 3.30 N ATOM 1536 CZ ARG A 91 5.607 4.829 -15.046 1.00 40.11 C ATOM 1537 NH1 ARG A 91 5.664 3.779 -15.796 1.00 74.02 N ATOM 1538 NH2 ARG A 91 5.070 5.909 -15.504 1.00 54.32 N ATOM 0 H ARG A 91 8.505 1.131 -9.291 1.00 14.43 H new ATOM 0 HA ARG A 91 8.703 3.925 -9.501 1.00 4.34 H new ATOM 0 HB2 ARG A 91 8.566 2.443 -11.467 1.00 42.02 H new ATOM 0 HB3 ARG A 91 6.937 1.966 -11.028 1.00 42.02 H new ATOM 0 HG2 ARG A 91 6.226 4.376 -11.229 1.00 3.11 H new ATOM 0 HG3 ARG A 91 7.842 4.775 -11.778 1.00 3.11 H new ATOM 0 HD2 ARG A 91 7.563 3.322 -13.752 1.00 55.12 H new ATOM 0 HD3 ARG A 91 5.982 2.820 -13.188 1.00 55.12 H new ATOM 0 HE ARG A 91 6.046 5.682 -13.298 1.00 3.30 H new ATOM 0 HH11 ARG A 91 6.091 2.923 -15.443 1.00 74.02 H new ATOM 0 HH12 ARG A 91 5.282 3.806 -16.741 1.00 74.02 H new ATOM 0 HH21 ARG A 91 5.025 6.744 -14.920 1.00 54.32 H new ATOM 0 HH22 ARG A 91 4.690 5.928 -16.450 1.00 54.32 H new ATOM 1552 N TRP A 92 5.748 2.768 -8.498 1.00 14.52 N ATOM 1553 CA TRP A 92 4.479 3.171 -7.869 1.00 54.41 C ATOM 1554 C TRP A 92 4.707 4.041 -6.626 1.00 43.13 C ATOM 1555 O TRP A 92 3.957 4.986 -6.372 1.00 61.04 O ATOM 1556 CB TRP A 92 3.627 1.943 -7.518 1.00 50.24 C ATOM 1557 CG TRP A 92 3.051 1.264 -8.728 1.00 2.52 C ATOM 1558 CD1 TRP A 92 3.334 0.010 -9.186 1.00 42.30 C ATOM 1559 CD2 TRP A 92 2.099 1.818 -9.643 1.00 75.33 C ATOM 1560 NE1 TRP A 92 2.614 -0.249 -10.327 1.00 2.13 N ATOM 1561 CE2 TRP A 92 1.849 0.845 -10.628 1.00 10.23 C ATOM 1562 CE3 TRP A 92 1.434 3.046 -9.724 1.00 35.42 C ATOM 1563 CZ2 TRP A 92 0.962 1.061 -11.679 1.00 20.44 C ATOM 1564 CZ3 TRP A 92 0.553 3.257 -10.766 1.00 72.04 C ATOM 1565 CH2 TRP A 92 0.326 2.270 -11.733 1.00 21.20 C ATOM 0 H TRP A 92 5.860 1.761 -8.618 1.00 14.52 H new ATOM 0 HA TRP A 92 3.937 3.774 -8.597 1.00 54.41 H new ATOM 0 HB2 TRP A 92 4.238 1.230 -6.964 1.00 50.24 H new ATOM 0 HB3 TRP A 92 2.815 2.248 -6.858 1.00 50.24 H new ATOM 0 HD1 TRP A 92 4.023 -0.678 -8.720 1.00 42.30 H new ATOM 0 HE1 TRP A 92 2.645 -1.116 -10.863 1.00 2.13 H new ATOM 0 HE3 TRP A 92 1.606 3.815 -8.985 1.00 35.42 H new ATOM 0 HZ2 TRP A 92 0.783 0.301 -12.425 1.00 20.44 H new ATOM 0 HZ3 TRP A 92 0.030 4.199 -10.836 1.00 72.04 H new ATOM 0 HH2 TRP A 92 -0.366 2.468 -12.538 1.00 21.20 H new ATOM 1576 N ILE A 93 5.747 3.725 -5.856 1.00 24.42 N ATOM 1577 CA ILE A 93 6.135 4.559 -4.714 1.00 73.31 C ATOM 1578 C ILE A 93 6.554 5.965 -5.183 1.00 73.21 C ATOM 1579 O ILE A 93 6.199 6.973 -4.562 1.00 3.43 O ATOM 1580 CB ILE A 93 7.283 3.901 -3.903 1.00 20.55 C ATOM 1581 CG1 ILE A 93 6.815 2.546 -3.340 1.00 14.02 C ATOM 1582 CG2 ILE A 93 7.767 4.827 -2.780 1.00 64.52 C ATOM 1583 CD1 ILE A 93 7.876 1.799 -2.562 1.00 3.21 C ATOM 0 H ILE A 93 6.334 2.903 -5.999 1.00 24.42 H new ATOM 0 HA ILE A 93 5.266 4.652 -4.062 1.00 73.31 H new ATOM 0 HB ILE A 93 8.128 3.729 -4.570 1.00 20.55 H new ATOM 0 HG12 ILE A 93 5.954 2.712 -2.692 1.00 14.02 H new ATOM 0 HG13 ILE A 93 6.477 1.919 -4.165 1.00 14.02 H new ATOM 0 HG21 ILE A 93 8.571 4.340 -2.228 1.00 64.52 H new ATOM 0 HG22 ILE A 93 8.134 5.759 -3.210 1.00 64.52 H new ATOM 0 HG23 ILE A 93 6.940 5.041 -2.103 1.00 64.52 H new ATOM 0 HD11 ILE A 93 7.466 0.856 -2.200 1.00 3.21 H new ATOM 0 HD12 ILE A 93 8.729 1.599 -3.210 1.00 3.21 H new ATOM 0 HD13 ILE A 93 8.199 2.403 -1.714 1.00 3.21 H new ATOM 1595 N LYS A 94 7.300 6.032 -6.289 1.00 71.25 N ATOM 1596 CA LYS A 94 7.640 7.321 -6.905 1.00 72.42 C ATOM 1597 C LYS A 94 6.371 8.066 -7.350 1.00 4.35 C ATOM 1598 O LYS A 94 6.130 9.196 -6.930 1.00 13.33 O ATOM 1599 CB LYS A 94 8.577 7.136 -8.106 1.00 12.02 C ATOM 1600 CG LYS A 94 8.847 8.436 -8.862 1.00 45.01 C ATOM 1601 CD LYS A 94 9.839 8.249 -10.004 1.00 50.34 C ATOM 1602 CE LYS A 94 10.094 9.559 -10.740 1.00 61.21 C ATOM 1603 NZ LYS A 94 10.537 10.635 -9.815 1.00 11.31 N ATOM 0 H LYS A 94 7.678 5.218 -6.774 1.00 71.25 H new ATOM 0 HA LYS A 94 8.156 7.915 -6.151 1.00 72.42 H new ATOM 0 HB2 LYS A 94 9.524 6.721 -7.760 1.00 12.02 H new ATOM 0 HB3 LYS A 94 8.141 6.408 -8.791 1.00 12.02 H new ATOM 0 HG2 LYS A 94 7.909 8.824 -9.259 1.00 45.01 H new ATOM 0 HG3 LYS A 94 9.232 9.183 -8.168 1.00 45.01 H new ATOM 0 HD2 LYS A 94 10.779 7.862 -9.611 1.00 50.34 H new ATOM 0 HD3 LYS A 94 9.455 7.506 -10.703 1.00 50.34 H new ATOM 0 HE2 LYS A 94 10.853 9.403 -11.507 1.00 61.21 H new ATOM 0 HE3 LYS A 94 9.184 9.872 -11.252 1.00 61.21 H new ATOM 0 HZ1 LYS A 94 11.186 11.276 -10.314 1.00 11.31 H new ATOM 0 HZ2 LYS A 94 9.709 11.170 -9.483 1.00 11.31 H new ATOM 0 HZ3 LYS A 94 11.026 10.213 -9.000 1.00 11.31 H new ATOM 1617 N GLU A 95 5.561 7.413 -8.189 1.00 65.40 N ATOM 1618 CA GLU A 95 4.300 7.989 -8.682 1.00 40.42 C ATOM 1619 C GLU A 95 3.472 8.583 -7.533 1.00 35.21 C ATOM 1620 O GLU A 95 2.903 9.668 -7.654 1.00 24.40 O ATOM 1621 CB GLU A 95 3.467 6.910 -9.399 1.00 11.13 C ATOM 1622 CG GLU A 95 4.187 6.203 -10.547 1.00 73.03 C ATOM 1623 CD GLU A 95 4.571 7.138 -11.681 1.00 71.10 C ATOM 1624 OE1 GLU A 95 3.677 7.810 -12.231 1.00 52.20 O ATOM 1625 OE2 GLU A 95 5.764 7.197 -12.043 1.00 75.33 O ATOM 0 H GLU A 95 5.756 6.477 -8.545 1.00 65.40 H new ATOM 0 HA GLU A 95 4.552 8.787 -9.381 1.00 40.42 H new ATOM 0 HB2 GLU A 95 3.158 6.163 -8.667 1.00 11.13 H new ATOM 0 HB3 GLU A 95 2.558 7.370 -9.787 1.00 11.13 H new ATOM 0 HG2 GLU A 95 5.086 5.722 -10.162 1.00 73.03 H new ATOM 0 HG3 GLU A 95 3.545 5.413 -10.938 1.00 73.03 H new ATOM 1632 N PHE A 96 3.430 7.861 -6.417 1.00 53.43 N ATOM 1633 CA PHE A 96 2.680 8.278 -5.229 1.00 3.44 C ATOM 1634 C PHE A 96 3.191 9.621 -4.671 1.00 15.45 C ATOM 1635 O PHE A 96 2.400 10.519 -4.367 1.00 71.51 O ATOM 1636 CB PHE A 96 2.781 7.178 -4.168 1.00 51.51 C ATOM 1637 CG PHE A 96 1.911 7.389 -2.954 1.00 5.32 C ATOM 1638 CD1 PHE A 96 0.531 7.477 -3.080 1.00 74.12 C ATOM 1639 CD2 PHE A 96 2.471 7.488 -1.689 1.00 24.11 C ATOM 1640 CE1 PHE A 96 -0.270 7.660 -1.969 1.00 73.14 C ATOM 1641 CE2 PHE A 96 1.675 7.669 -0.575 1.00 74.10 C ATOM 1642 CZ PHE A 96 0.304 7.756 -0.715 1.00 21.00 C ATOM 0 H PHE A 96 3.914 6.970 -6.307 1.00 53.43 H new ATOM 0 HA PHE A 96 1.637 8.429 -5.509 1.00 3.44 H new ATOM 0 HB2 PHE A 96 2.516 6.225 -4.626 1.00 51.51 H new ATOM 0 HB3 PHE A 96 3.819 7.099 -3.845 1.00 51.51 H new ATOM 0 HD1 PHE A 96 0.078 7.402 -4.058 1.00 74.12 H new ATOM 0 HD2 PHE A 96 3.543 7.423 -1.574 1.00 24.11 H new ATOM 0 HE1 PHE A 96 -1.342 7.728 -2.080 1.00 73.14 H new ATOM 0 HE2 PHE A 96 2.124 7.742 0.404 1.00 74.10 H new ATOM 0 HZ PHE A 96 -0.320 7.899 0.155 1.00 21.00 H new ATOM 1652 N SER A 97 4.513 9.756 -4.545 1.00 5.12 N ATOM 1653 CA SER A 97 5.119 11.016 -4.074 1.00 65.12 C ATOM 1654 C SER A 97 4.897 12.141 -5.095 1.00 15.24 C ATOM 1655 O SER A 97 4.644 13.293 -4.728 1.00 70.01 O ATOM 1656 CB SER A 97 6.624 10.844 -3.810 1.00 22.21 C ATOM 1657 OG SER A 97 7.342 10.604 -5.009 1.00 3.32 O ATOM 0 H SER A 97 5.185 9.019 -4.759 1.00 5.12 H new ATOM 0 HA SER A 97 4.631 11.285 -3.137 1.00 65.12 H new ATOM 0 HB2 SER A 97 7.013 11.739 -3.326 1.00 22.21 H new ATOM 0 HB3 SER A 97 6.780 10.015 -3.120 1.00 22.21 H new ATOM 0 HG SER A 97 6.781 10.093 -5.630 1.00 3.32 H new ATOM 1663 N GLU A 98 4.989 11.795 -6.381 1.00 44.34 N ATOM 1664 CA GLU A 98 4.713 12.740 -7.471 1.00 53.40 C ATOM 1665 C GLU A 98 3.269 13.270 -7.395 1.00 24.22 C ATOM 1666 O GLU A 98 3.012 14.452 -7.645 1.00 72.23 O ATOM 1667 CB GLU A 98 4.936 12.064 -8.835 1.00 64.13 C ATOM 1668 CG GLU A 98 6.344 11.506 -9.055 1.00 52.14 C ATOM 1669 CD GLU A 98 7.426 12.575 -9.130 1.00 64.13 C ATOM 1670 OE1 GLU A 98 7.153 13.675 -9.662 1.00 5.52 O ATOM 1671 OE2 GLU A 98 8.563 12.312 -8.673 1.00 52.32 O ATOM 0 H GLU A 98 5.254 10.862 -6.697 1.00 44.34 H new ATOM 0 HA GLU A 98 5.400 13.579 -7.363 1.00 53.40 H new ATOM 0 HB2 GLU A 98 4.218 11.251 -8.943 1.00 64.13 H new ATOM 0 HB3 GLU A 98 4.720 12.787 -9.622 1.00 64.13 H new ATOM 0 HG2 GLU A 98 6.582 10.818 -8.244 1.00 52.14 H new ATOM 0 HG3 GLU A 98 6.355 10.927 -9.978 1.00 52.14 H new