USER MOD reduce.3.24.130724 H: found=0, std=0, add=997, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 990 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 68 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 70 LYS NZ :NH3+ 135:sc= 1.18 (180deg=0) USER MOD Set 1.3: A 83 HIS : no HE2:sc= 0.401 K(o=1.6,f=-12!) USER MOD Set 2.1: A 34 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 38 MET CE :methyl 156:sc= 0 (180deg=-0.369) USER MOD Set 3.1: A 11 SER OG : rot -87:sc= 1.63 USER MOD Set 3.2: A 22 HIS :FLIP no HE2:sc= -0.847 F(o=-2,f=0.79) USER MOD Set 4.1: A 1 MET CE :methyl -148:sc= -0.446 (180deg=-2.79) USER MOD Set 4.2: A 3 TYR OH : rot 90:sc= 0.14 USER MOD Single : A 1 MET N :NH3+ 133:sc= 0.0356 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 135:sc= 1.16 (180deg=0.466) USER MOD Single : A 13 HIS : no HD1:sc= -0.419 K(o=-0.42,f=-1.8) USER MOD Single : A 17 LYS NZ :NH3+ -173:sc=-0.00622 (180deg=-0.0756) USER MOD Single : A 18 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 19 ASN : amide:sc= 0.659 K(o=0.66,f=0) USER MOD Single : A 20 MET CE :methyl -147:sc= -0.187 (180deg=-0.727) USER MOD Single : A 27 MET CE :methyl 141:sc= -0.542 (180deg=-1.38) USER MOD Single : A 33 SER OG : rot 49:sc= 0.304 USER MOD Single : A 42 ASN : amide:sc= 0.704 K(o=0.7,f=-5.8!) USER MOD Single : A 49 LYS NZ :NH3+ -155:sc= -1.01 (180deg=-2.5!) USER MOD Single : A 51 SER OG : rot 85:sc= 0.502 USER MOD Single : A 53 ASN : amide:sc= -0.96 X(o=-0.96,f=-0.53) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 71 TYR OH : rot -147:sc= 0.22 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 1.31 (180deg=1.31) USER MOD Single : A 78 LYS NZ :NH3+ 168:sc= 1.2 (180deg=0.953) USER MOD Single : A 79 LYS NZ :NH3+ -159:sc= -1.25! (180deg=-2.41!) USER MOD Single : A 85 LYS NZ :NH3+ 174:sc= 1.26 (180deg=1.16) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 THR OG1 : rot -60:sc= -0.898 USER MOD Single : A 92 ASN : amide:sc= -0.0101 K(o=-0.01,f=-1.6!) USER MOD Single : A 99 ASN : amide:sc= -0.167 X(o=-0.17,f=0) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 LYS NZ :NH3+ -170:sc= 1.27 (180deg=1.17) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -3.015 -19.851 2.825 1.00 0.00 N ATOM 2 CA MET A 1 -4.080 -18.933 2.484 1.00 52.33 C ATOM 3 C MET A 1 -3.484 -17.535 2.411 1.00 55.52 C ATOM 4 O MET A 1 -2.684 -17.144 3.267 1.00 2.50 O ATOM 5 CB MET A 1 -5.235 -19.102 3.497 1.00 61.41 C ATOM 6 CG MET A 1 -6.512 -18.341 3.183 1.00 51.42 C ATOM 7 SD MET A 1 -6.420 -16.607 3.589 1.00 54.11 S ATOM 8 CE MET A 1 -6.190 -16.710 5.360 1.00 52.33 C ATOM 0 H1 MET A 1 -3.333 -20.484 3.586 1.00 0.00 H new ATOM 0 H2 MET A 1 -2.762 -20.415 1.989 1.00 0.00 H new ATOM 0 H3 MET A 1 -2.184 -19.315 3.145 1.00 0.00 H new ATOM 0 HA MET A 1 -4.521 -19.136 1.508 1.00 52.33 H new ATOM 0 HB2 MET A 1 -5.476 -20.163 3.570 1.00 61.41 H new ATOM 0 HB3 MET A 1 -4.880 -18.788 4.479 1.00 61.41 H new ATOM 0 HG2 MET A 1 -6.738 -18.447 2.122 1.00 51.42 H new ATOM 0 HG3 MET A 1 -7.339 -18.792 3.731 1.00 51.42 H new ATOM 0 HE1 MET A 1 -6.657 -15.849 5.838 1.00 52.33 H new ATOM 0 HE2 MET A 1 -6.648 -17.626 5.734 1.00 52.33 H new ATOM 0 HE3 MET A 1 -5.124 -16.718 5.589 1.00 52.33 H new ATOM 17 N LYS A 2 -3.824 -16.814 1.362 1.00 31.32 N ATOM 18 CA LYS A 2 -3.171 -15.556 1.046 1.00 52.34 C ATOM 19 C LYS A 2 -4.073 -14.349 1.238 1.00 61.42 C ATOM 20 O LYS A 2 -5.284 -14.464 1.381 1.00 70.02 O ATOM 21 CB LYS A 2 -2.680 -15.575 -0.396 1.00 71.34 C ATOM 22 CG LYS A 2 -1.648 -16.639 -0.712 1.00 33.22 C ATOM 23 CD LYS A 2 -1.356 -16.638 -2.193 1.00 41.41 C ATOM 24 CE LYS A 2 -0.322 -17.671 -2.581 1.00 31.35 C ATOM 25 NZ LYS A 2 -0.141 -17.713 -4.042 1.00 64.41 N ATOM 0 H LYS A 2 -4.558 -17.081 0.706 1.00 31.32 H new ATOM 0 HA LYS A 2 -2.338 -15.459 1.742 1.00 52.34 H new ATOM 0 HB2 LYS A 2 -3.538 -15.717 -1.053 1.00 71.34 H new ATOM 0 HB3 LYS A 2 -2.256 -14.599 -0.632 1.00 71.34 H new ATOM 0 HG2 LYS A 2 -0.733 -16.450 -0.151 1.00 33.22 H new ATOM 0 HG3 LYS A 2 -2.015 -17.618 -0.404 1.00 33.22 H new ATOM 0 HD2 LYS A 2 -2.278 -16.828 -2.742 1.00 41.41 H new ATOM 0 HD3 LYS A 2 -1.006 -15.649 -2.490 1.00 41.41 H new ATOM 0 HE2 LYS A 2 0.628 -17.439 -2.100 1.00 31.35 H new ATOM 0 HE3 LYS A 2 -0.630 -18.652 -2.221 1.00 31.35 H new ATOM 0 HZ1 LYS A 2 0.874 -17.742 -4.265 1.00 64.41 H new ATOM 0 HZ2 LYS A 2 -0.604 -18.562 -4.425 1.00 64.41 H new ATOM 0 HZ3 LYS A 2 -0.565 -16.865 -4.469 1.00 64.41 H new ATOM 39 N TYR A 3 -3.450 -13.197 1.250 1.00 41.13 N ATOM 40 CA TYR A 3 -4.109 -11.925 1.365 1.00 71.43 C ATOM 41 C TYR A 3 -3.777 -11.044 0.157 1.00 63.21 C ATOM 42 O TYR A 3 -2.666 -11.116 -0.412 1.00 34.35 O ATOM 43 CB TYR A 3 -3.709 -11.232 2.685 1.00 41.11 C ATOM 44 CG TYR A 3 -4.241 -11.932 3.924 1.00 70.41 C ATOM 45 CD1 TYR A 3 -3.850 -13.227 4.240 1.00 21.04 C ATOM 46 CD2 TYR A 3 -5.157 -11.312 4.751 1.00 10.42 C ATOM 47 CE1 TYR A 3 -4.345 -13.880 5.330 1.00 23.45 C ATOM 48 CE2 TYR A 3 -5.665 -11.961 5.851 1.00 33.21 C ATOM 49 CZ TYR A 3 -5.260 -13.245 6.137 1.00 70.43 C ATOM 50 OH TYR A 3 -5.779 -13.899 7.239 1.00 15.50 O ATOM 0 H TYR A 3 -2.436 -13.119 1.177 1.00 41.13 H new ATOM 0 HA TYR A 3 -5.187 -12.085 1.381 1.00 71.43 H new ATOM 0 HB2 TYR A 3 -2.622 -11.182 2.745 1.00 41.11 H new ATOM 0 HB3 TYR A 3 -4.075 -10.205 2.672 1.00 41.11 H new ATOM 0 HD1 TYR A 3 -3.135 -13.730 3.606 1.00 21.04 H new ATOM 0 HD2 TYR A 3 -5.478 -10.305 4.531 1.00 10.42 H new ATOM 0 HE1 TYR A 3 -4.022 -14.885 5.557 1.00 23.45 H new ATOM 0 HE2 TYR A 3 -6.381 -11.464 6.490 1.00 33.21 H new ATOM 0 HH TYR A 3 -5.213 -13.724 8.020 1.00 15.50 H new ATOM 60 N ASP A 4 -4.741 -10.261 -0.226 1.00 33.40 N ATOM 61 CA ASP A 4 -4.676 -9.340 -1.349 1.00 3.20 C ATOM 62 C ASP A 4 -4.788 -7.933 -0.771 1.00 65.41 C ATOM 63 O ASP A 4 -5.754 -7.622 -0.070 1.00 53.32 O ATOM 64 CB ASP A 4 -5.855 -9.659 -2.292 1.00 2.01 C ATOM 65 CG ASP A 4 -5.824 -8.930 -3.617 1.00 55.44 C ATOM 66 OD1 ASP A 4 -4.914 -9.217 -4.441 1.00 73.45 O ATOM 67 OD2 ASP A 4 -6.734 -8.118 -3.885 1.00 72.11 O ATOM 0 H ASP A 4 -5.642 -10.237 0.251 1.00 33.40 H new ATOM 0 HA ASP A 4 -3.749 -9.426 -1.916 1.00 3.20 H new ATOM 0 HB2 ASP A 4 -5.868 -10.732 -2.484 1.00 2.01 H new ATOM 0 HB3 ASP A 4 -6.787 -9.415 -1.781 1.00 2.01 H new ATOM 72 N VAL A 5 -3.797 -7.111 -1.000 1.00 44.22 N ATOM 73 CA VAL A 5 -3.732 -5.809 -0.365 1.00 33.34 C ATOM 74 C VAL A 5 -4.211 -4.745 -1.334 1.00 54.13 C ATOM 75 O VAL A 5 -3.604 -4.526 -2.387 1.00 63.13 O ATOM 76 CB VAL A 5 -2.273 -5.473 0.065 1.00 62.33 C ATOM 77 CG1 VAL A 5 -2.190 -4.126 0.774 1.00 40.34 C ATOM 78 CG2 VAL A 5 -1.682 -6.583 0.928 1.00 45.42 C ATOM 0 H VAL A 5 -3.017 -7.317 -1.624 1.00 44.22 H new ATOM 0 HA VAL A 5 -4.368 -5.830 0.520 1.00 33.34 H new ATOM 0 HB VAL A 5 -1.677 -5.401 -0.845 1.00 62.33 H new ATOM 0 HG11 VAL A 5 -1.157 -3.928 1.058 1.00 40.34 H new ATOM 0 HG12 VAL A 5 -2.539 -3.340 0.104 1.00 40.34 H new ATOM 0 HG13 VAL A 5 -2.815 -4.146 1.667 1.00 40.34 H new ATOM 0 HG21 VAL A 5 -0.663 -6.320 1.212 1.00 45.42 H new ATOM 0 HG22 VAL A 5 -2.288 -6.708 1.825 1.00 45.42 H new ATOM 0 HG23 VAL A 5 -1.672 -7.516 0.364 1.00 45.42 H new ATOM 88 N VAL A 6 -5.275 -4.100 -0.988 1.00 22.41 N ATOM 89 CA VAL A 6 -5.825 -3.056 -1.801 1.00 10.21 C ATOM 90 C VAL A 6 -5.567 -1.737 -1.101 1.00 11.43 C ATOM 91 O VAL A 6 -6.041 -1.513 0.015 1.00 22.01 O ATOM 92 CB VAL A 6 -7.345 -3.253 -2.020 1.00 12.11 C ATOM 93 CG1 VAL A 6 -7.919 -2.191 -2.951 1.00 60.41 C ATOM 94 CG2 VAL A 6 -7.637 -4.654 -2.539 1.00 12.10 C ATOM 0 H VAL A 6 -5.794 -4.280 -0.129 1.00 22.41 H new ATOM 0 HA VAL A 6 -5.352 -3.072 -2.783 1.00 10.21 H new ATOM 0 HB VAL A 6 -7.838 -3.138 -1.055 1.00 12.11 H new ATOM 0 HG11 VAL A 6 -8.988 -2.361 -3.082 1.00 60.41 H new ATOM 0 HG12 VAL A 6 -7.759 -1.203 -2.519 1.00 60.41 H new ATOM 0 HG13 VAL A 6 -7.422 -2.249 -3.919 1.00 60.41 H new ATOM 0 HG21 VAL A 6 -8.711 -4.771 -2.686 1.00 12.10 H new ATOM 0 HG22 VAL A 6 -7.122 -4.805 -3.488 1.00 12.10 H new ATOM 0 HG23 VAL A 6 -7.287 -5.390 -1.815 1.00 12.10 H new ATOM 104 N ILE A 7 -4.817 -0.887 -1.725 1.00 61.04 N ATOM 105 CA ILE A 7 -4.461 0.361 -1.129 1.00 44.21 C ATOM 106 C ILE A 7 -4.997 1.506 -1.952 1.00 53.14 C ATOM 107 O ILE A 7 -4.756 1.598 -3.157 1.00 33.21 O ATOM 108 CB ILE A 7 -2.921 0.483 -0.882 1.00 62.42 C ATOM 109 CG1 ILE A 7 -2.552 1.896 -0.405 1.00 13.23 C ATOM 110 CG2 ILE A 7 -2.117 0.093 -2.120 1.00 35.33 C ATOM 111 CD1 ILE A 7 -1.098 2.066 -0.040 1.00 14.51 C ATOM 0 H ILE A 7 -4.435 -1.037 -2.659 1.00 61.04 H new ATOM 0 HA ILE A 7 -4.926 0.406 -0.144 1.00 44.21 H new ATOM 0 HB ILE A 7 -2.660 -0.221 -0.092 1.00 62.42 H new ATOM 0 HG12 ILE A 7 -2.804 2.609 -1.190 1.00 13.23 H new ATOM 0 HG13 ILE A 7 -3.164 2.146 0.462 1.00 13.23 H new ATOM 0 HG21 ILE A 7 -1.052 0.191 -1.908 1.00 35.33 H new ATOM 0 HG22 ILE A 7 -2.340 -0.940 -2.388 1.00 35.33 H new ATOM 0 HG23 ILE A 7 -2.384 0.749 -2.949 1.00 35.33 H new ATOM 0 HD11 ILE A 7 -0.922 3.091 0.286 1.00 14.51 H new ATOM 0 HD12 ILE A 7 -0.843 1.380 0.767 1.00 14.51 H new ATOM 0 HD13 ILE A 7 -0.477 1.850 -0.909 1.00 14.51 H new ATOM 123 N ILE A 8 -5.771 2.334 -1.324 1.00 13.32 N ATOM 124 CA ILE A 8 -6.353 3.454 -1.979 1.00 1.52 C ATOM 125 C ILE A 8 -5.781 4.735 -1.382 1.00 35.22 C ATOM 126 O ILE A 8 -6.166 5.135 -0.274 1.00 3.32 O ATOM 127 CB ILE A 8 -7.923 3.515 -1.861 1.00 40.02 C ATOM 128 CG1 ILE A 8 -8.621 2.188 -2.251 1.00 30.12 C ATOM 129 CG2 ILE A 8 -8.463 4.635 -2.740 1.00 40.20 C ATOM 130 CD1 ILE A 8 -8.568 1.087 -1.199 1.00 44.51 C ATOM 0 H ILE A 8 -6.016 2.248 -0.338 1.00 13.32 H new ATOM 0 HA ILE A 8 -6.111 3.350 -3.037 1.00 1.52 H new ATOM 0 HB ILE A 8 -8.145 3.701 -0.810 1.00 40.02 H new ATOM 0 HG12 ILE A 8 -9.666 2.400 -2.478 1.00 30.12 H new ATOM 0 HG13 ILE A 8 -8.165 1.813 -3.168 1.00 30.12 H new ATOM 0 HG21 ILE A 8 -9.549 4.673 -2.655 1.00 40.20 H new ATOM 0 HG22 ILE A 8 -8.040 5.587 -2.418 1.00 40.20 H new ATOM 0 HG23 ILE A 8 -8.187 4.448 -3.778 1.00 40.20 H new ATOM 0 HD11 ILE A 8 -9.085 0.203 -1.572 1.00 44.51 H new ATOM 0 HD12 ILE A 8 -7.529 0.837 -0.986 1.00 44.51 H new ATOM 0 HD13 ILE A 8 -9.052 1.433 -0.286 1.00 44.51 H new ATOM 142 N PRO A 9 -4.789 5.329 -2.032 1.00 62.13 N ATOM 143 CA PRO A 9 -4.308 6.633 -1.662 1.00 13.43 C ATOM 144 C PRO A 9 -5.245 7.655 -2.279 1.00 53.14 C ATOM 145 O PRO A 9 -5.573 7.545 -3.450 1.00 72.52 O ATOM 146 CB PRO A 9 -2.912 6.721 -2.326 1.00 34.03 C ATOM 147 CG PRO A 9 -2.692 5.396 -2.997 1.00 34.25 C ATOM 148 CD PRO A 9 -4.047 4.784 -3.176 1.00 74.23 C ATOM 0 HA PRO A 9 -4.259 6.807 -0.587 1.00 13.43 H new ATOM 0 HB2 PRO A 9 -2.874 7.536 -3.049 1.00 34.03 H new ATOM 0 HB3 PRO A 9 -2.138 6.916 -1.584 1.00 34.03 H new ATOM 0 HG2 PRO A 9 -2.194 5.525 -3.958 1.00 34.25 H new ATOM 0 HG3 PRO A 9 -2.053 4.754 -2.390 1.00 34.25 H new ATOM 0 HD2 PRO A 9 -4.499 5.067 -4.126 1.00 74.23 H new ATOM 0 HD3 PRO A 9 -4.008 3.695 -3.154 1.00 74.23 H new ATOM 156 N GLU A 10 -5.713 8.592 -1.515 1.00 11.43 N ATOM 157 CA GLU A 10 -6.626 9.575 -2.045 1.00 4.23 C ATOM 158 C GLU A 10 -6.517 10.883 -1.272 1.00 60.41 C ATOM 159 O GLU A 10 -6.442 10.895 -0.051 1.00 52.11 O ATOM 160 CB GLU A 10 -8.081 9.001 -2.121 1.00 25.42 C ATOM 161 CG GLU A 10 -8.667 8.491 -0.802 1.00 33.23 C ATOM 162 CD GLU A 10 -9.901 7.601 -0.984 1.00 10.43 C ATOM 163 OE1 GLU A 10 -10.818 7.946 -1.778 1.00 72.10 O ATOM 164 OE2 GLU A 10 -9.955 6.499 -0.354 1.00 32.24 O ATOM 0 H GLU A 10 -5.484 8.703 -0.527 1.00 11.43 H new ATOM 0 HA GLU A 10 -6.347 9.810 -3.072 1.00 4.23 H new ATOM 0 HB2 GLU A 10 -8.738 9.778 -2.512 1.00 25.42 H new ATOM 0 HB3 GLU A 10 -8.091 8.183 -2.841 1.00 25.42 H new ATOM 0 HG2 GLU A 10 -7.901 7.931 -0.266 1.00 33.23 H new ATOM 0 HG3 GLU A 10 -8.933 9.344 -0.178 1.00 33.23 H new ATOM 171 N SER A 11 -6.393 11.973 -1.975 1.00 21.14 N ATOM 172 CA SER A 11 -6.305 13.254 -1.349 1.00 12.24 C ATOM 173 C SER A 11 -7.695 13.613 -0.831 1.00 13.24 C ATOM 174 O SER A 11 -8.641 13.658 -1.611 1.00 4.24 O ATOM 175 CB SER A 11 -5.871 14.242 -2.400 1.00 54.41 C ATOM 176 OG SER A 11 -4.968 13.632 -3.289 1.00 22.11 O ATOM 0 H SER A 11 -6.351 11.995 -2.994 1.00 21.14 H new ATOM 0 HA SER A 11 -5.595 13.260 -0.522 1.00 12.24 H new ATOM 0 HB2 SER A 11 -6.740 14.610 -2.946 1.00 54.41 H new ATOM 0 HB3 SER A 11 -5.402 15.105 -1.928 1.00 54.41 H new ATOM 0 HG SER A 11 -4.057 13.711 -2.936 1.00 22.11 H new ATOM 182 N PHE A 12 -7.832 13.862 0.461 1.00 45.43 N ATOM 183 CA PHE A 12 -9.150 14.104 1.005 1.00 52.11 C ATOM 184 C PHE A 12 -9.766 15.415 0.521 1.00 62.45 C ATOM 185 O PHE A 12 -9.347 16.517 0.902 1.00 41.44 O ATOM 186 CB PHE A 12 -9.245 13.892 2.539 1.00 22.31 C ATOM 187 CG PHE A 12 -8.206 14.551 3.429 1.00 12.21 C ATOM 188 CD1 PHE A 12 -7.838 15.869 3.267 1.00 63.02 C ATOM 189 CD2 PHE A 12 -7.645 13.838 4.474 1.00 33.34 C ATOM 190 CE1 PHE A 12 -6.938 16.457 4.114 1.00 3.03 C ATOM 191 CE2 PHE A 12 -6.734 14.422 5.323 1.00 30.55 C ATOM 192 CZ PHE A 12 -6.379 15.734 5.143 1.00 13.44 C ATOM 0 H PHE A 12 -7.067 13.901 1.134 1.00 45.43 H new ATOM 0 HA PHE A 12 -9.782 13.320 0.587 1.00 52.11 H new ATOM 0 HB2 PHE A 12 -10.226 14.241 2.861 1.00 22.31 H new ATOM 0 HB3 PHE A 12 -9.210 12.819 2.728 1.00 22.31 H new ATOM 0 HD1 PHE A 12 -8.266 16.446 2.460 1.00 63.02 H new ATOM 0 HD2 PHE A 12 -7.927 12.807 4.625 1.00 33.34 H new ATOM 0 HE1 PHE A 12 -6.665 17.493 3.974 1.00 3.03 H new ATOM 0 HE2 PHE A 12 -6.300 13.849 6.129 1.00 30.55 H new ATOM 0 HZ PHE A 12 -5.664 16.198 5.806 1.00 13.44 H new ATOM 202 N HIS A 13 -10.716 15.301 -0.364 1.00 13.42 N ATOM 203 CA HIS A 13 -11.339 16.448 -0.914 1.00 44.54 C ATOM 204 C HIS A 13 -12.809 16.440 -0.806 1.00 65.33 C ATOM 205 O HIS A 13 -13.484 15.467 -1.158 1.00 13.01 O ATOM 206 CB HIS A 13 -10.903 16.756 -2.361 1.00 14.52 C ATOM 207 CG HIS A 13 -9.527 17.287 -2.437 1.00 74.12 C ATOM 208 ND1 HIS A 13 -8.419 16.512 -2.616 1.00 21.33 N ATOM 209 CD2 HIS A 13 -9.087 18.555 -2.292 1.00 65.04 C ATOM 210 CE1 HIS A 13 -7.355 17.312 -2.561 1.00 63.34 C ATOM 211 NE2 HIS A 13 -7.709 18.567 -2.371 1.00 11.23 N ATOM 0 H HIS A 13 -11.071 14.412 -0.716 1.00 13.42 H new ATOM 0 HA HIS A 13 -10.976 17.261 -0.285 1.00 44.54 H new ATOM 0 HB2 HIS A 13 -10.972 15.847 -2.959 1.00 14.52 H new ATOM 0 HB3 HIS A 13 -11.592 17.478 -2.799 1.00 14.52 H new ATOM 0 HD2 HIS A 13 -9.713 19.422 -2.139 1.00 65.04 H new ATOM 0 HE1 HIS A 13 -6.334 16.975 -2.659 1.00 63.34 H new ATOM 0 HE2 HIS A 13 -7.094 19.377 -2.298 1.00 11.23 H new ATOM 219 N ARG A 14 -13.288 17.500 -0.242 1.00 30.04 N ATOM 220 CA ARG A 14 -14.656 17.838 -0.297 1.00 44.11 C ATOM 221 C ARG A 14 -14.818 18.381 -1.684 1.00 51.34 C ATOM 222 O ARG A 14 -14.033 19.230 -2.113 1.00 52.45 O ATOM 223 CB ARG A 14 -14.966 18.900 0.740 1.00 43.13 C ATOM 224 CG ARG A 14 -14.767 18.444 2.179 1.00 41.45 C ATOM 225 CD ARG A 14 -14.556 19.629 3.106 1.00 51.51 C ATOM 226 NE ARG A 14 -13.273 20.300 2.808 1.00 71.35 N ATOM 227 CZ ARG A 14 -12.835 21.446 3.349 1.00 33.32 C ATOM 228 NH1 ARG A 14 -13.569 22.096 4.242 1.00 43.11 N ATOM 229 NH2 ARG A 14 -11.649 21.934 2.998 1.00 73.50 N ATOM 0 H ARG A 14 -12.718 18.165 0.280 1.00 30.04 H new ATOM 0 HA ARG A 14 -15.324 17.002 -0.091 1.00 44.11 H new ATOM 0 HB2 ARG A 14 -14.333 19.768 0.555 1.00 43.13 H new ATOM 0 HB3 ARG A 14 -15.999 19.225 0.613 1.00 43.13 H new ATOM 0 HG2 ARG A 14 -15.636 17.873 2.506 1.00 41.45 H new ATOM 0 HG3 ARG A 14 -13.907 17.776 2.236 1.00 41.45 H new ATOM 0 HD2 ARG A 14 -15.377 20.337 2.993 1.00 51.51 H new ATOM 0 HD3 ARG A 14 -14.565 19.293 4.143 1.00 51.51 H new ATOM 0 HE ARG A 14 -12.663 19.848 2.126 1.00 71.35 H new ATOM 0 HH11 ARG A 14 -14.476 21.725 4.524 1.00 43.11 H new ATOM 0 HH12 ARG A 14 -13.226 22.967 4.647 1.00 43.11 H new ATOM 0 HH21 ARG A 14 -11.074 21.437 2.318 1.00 73.50 H new ATOM 0 HH22 ARG A 14 -11.314 22.806 3.409 1.00 73.50 H new ATOM 243 N PHE A 15 -15.771 17.887 -2.375 1.00 73.32 N ATOM 244 CA PHE A 15 -15.906 18.147 -3.750 1.00 20.31 C ATOM 245 C PHE A 15 -16.415 19.539 -3.961 1.00 2.21 C ATOM 246 O PHE A 15 -17.550 19.882 -3.585 1.00 40.51 O ATOM 247 CB PHE A 15 -16.846 17.149 -4.375 1.00 73.15 C ATOM 248 CG PHE A 15 -16.471 16.713 -5.767 1.00 62.32 C ATOM 249 CD1 PHE A 15 -16.009 17.609 -6.741 1.00 4.50 C ATOM 250 CD2 PHE A 15 -16.581 15.387 -6.096 1.00 73.25 C ATOM 251 CE1 PHE A 15 -15.683 17.155 -7.996 1.00 63.21 C ATOM 252 CE2 PHE A 15 -16.255 14.934 -7.358 1.00 34.24 C ATOM 253 CZ PHE A 15 -15.807 15.819 -8.308 1.00 20.25 C ATOM 0 H PHE A 15 -16.493 17.278 -1.991 1.00 73.32 H new ATOM 0 HA PHE A 15 -14.929 18.054 -4.225 1.00 20.31 H new ATOM 0 HB2 PHE A 15 -16.896 16.268 -3.735 1.00 73.15 H new ATOM 0 HB3 PHE A 15 -17.846 17.581 -4.402 1.00 73.15 H new ATOM 0 HD1 PHE A 15 -15.909 18.658 -6.504 1.00 4.50 H new ATOM 0 HD2 PHE A 15 -16.929 14.684 -5.354 1.00 73.25 H new ATOM 0 HE1 PHE A 15 -15.327 17.850 -8.742 1.00 63.21 H new ATOM 0 HE2 PHE A 15 -16.352 13.886 -7.598 1.00 34.24 H new ATOM 0 HZ PHE A 15 -15.553 15.468 -9.297 1.00 20.25 H new ATOM 263 N ASP A 16 -15.570 20.333 -4.485 1.00 14.51 N ATOM 264 CA ASP A 16 -15.903 21.679 -4.852 1.00 22.10 C ATOM 265 C ASP A 16 -16.658 21.633 -6.216 1.00 4.44 C ATOM 266 O ASP A 16 -17.146 20.562 -6.645 1.00 13.41 O ATOM 267 CB ASP A 16 -14.613 22.535 -4.917 1.00 32.54 C ATOM 268 CG ASP A 16 -14.856 24.048 -4.963 1.00 5.31 C ATOM 269 OD1 ASP A 16 -15.167 24.592 -6.052 1.00 20.10 O ATOM 270 OD2 ASP A 16 -14.739 24.724 -3.923 1.00 15.03 O ATOM 0 H ASP A 16 -14.603 20.076 -4.682 1.00 14.51 H new ATOM 0 HA ASP A 16 -16.554 22.145 -4.112 1.00 22.10 H new ATOM 0 HB2 ASP A 16 -13.995 22.305 -4.049 1.00 32.54 H new ATOM 0 HB3 ASP A 16 -14.043 22.244 -5.800 1.00 32.54 H new ATOM 275 N LYS A 17 -16.771 22.730 -6.870 1.00 43.32 N ATOM 276 CA LYS A 17 -17.480 22.806 -8.088 1.00 30.42 C ATOM 277 C LYS A 17 -16.521 22.800 -9.272 1.00 1.31 C ATOM 278 O LYS A 17 -16.859 22.306 -10.345 1.00 72.21 O ATOM 279 CB LYS A 17 -18.350 24.065 -8.102 1.00 35.14 C ATOM 280 CG LYS A 17 -19.236 24.209 -9.323 1.00 13.33 C ATOM 281 CD LYS A 17 -20.072 25.461 -9.233 1.00 44.13 C ATOM 282 CE LYS A 17 -21.021 25.605 -10.415 1.00 34.33 C ATOM 283 NZ LYS A 17 -20.311 25.716 -11.702 1.00 34.44 N ATOM 0 H LYS A 17 -16.365 23.615 -6.566 1.00 43.32 H new ATOM 0 HA LYS A 17 -18.124 21.931 -8.176 1.00 30.42 H new ATOM 0 HB2 LYS A 17 -18.979 24.066 -7.212 1.00 35.14 H new ATOM 0 HB3 LYS A 17 -17.702 24.939 -8.035 1.00 35.14 H new ATOM 0 HG2 LYS A 17 -18.621 24.241 -10.222 1.00 13.33 H new ATOM 0 HG3 LYS A 17 -19.885 23.338 -9.411 1.00 13.33 H new ATOM 0 HD2 LYS A 17 -20.647 25.446 -8.307 1.00 44.13 H new ATOM 0 HD3 LYS A 17 -19.417 26.331 -9.187 1.00 44.13 H new ATOM 0 HE2 LYS A 17 -21.690 24.745 -10.446 1.00 34.33 H new ATOM 0 HE3 LYS A 17 -21.644 26.488 -10.271 1.00 34.33 H new ATOM 0 HZ1 LYS A 17 -20.993 25.930 -12.457 1.00 34.44 H new ATOM 0 HZ2 LYS A 17 -19.606 26.479 -11.645 1.00 34.44 H new ATOM 0 HZ3 LYS A 17 -19.832 24.817 -11.913 1.00 34.44 H new ATOM 297 N HIS A 18 -15.324 23.321 -9.083 1.00 14.14 N ATOM 298 CA HIS A 18 -14.420 23.422 -10.213 1.00 53.02 C ATOM 299 C HIS A 18 -13.004 22.976 -9.893 1.00 13.51 C ATOM 300 O HIS A 18 -12.404 22.186 -10.629 1.00 4.43 O ATOM 301 CB HIS A 18 -14.458 24.841 -10.808 1.00 52.20 C ATOM 302 CG HIS A 18 -13.606 25.044 -12.026 1.00 15.35 C ATOM 303 ND1 HIS A 18 -14.048 24.842 -13.310 1.00 5.55 N ATOM 304 CD2 HIS A 18 -12.319 25.451 -12.133 1.00 43.00 C ATOM 305 CE1 HIS A 18 -13.053 25.120 -14.143 1.00 65.43 C ATOM 306 NE2 HIS A 18 -11.967 25.500 -13.475 1.00 64.21 N ATOM 0 H HIS A 18 -14.964 23.669 -8.194 1.00 14.14 H new ATOM 0 HA HIS A 18 -14.777 22.722 -10.969 1.00 53.02 H new ATOM 0 HB2 HIS A 18 -15.490 25.084 -11.061 1.00 52.20 H new ATOM 0 HB3 HIS A 18 -14.142 25.548 -10.041 1.00 52.20 H new ATOM 0 HD2 HIS A 18 -11.670 25.698 -11.306 1.00 43.00 H new ATOM 0 HE1 HIS A 18 -13.116 25.048 -15.219 1.00 65.43 H new ATOM 0 HE2 HIS A 18 -11.065 25.771 -13.867 1.00 64.21 H new ATOM 314 N ASN A 19 -12.468 23.499 -8.854 1.00 63.12 N ATOM 315 CA ASN A 19 -11.137 23.159 -8.460 1.00 44.23 C ATOM 316 C ASN A 19 -11.156 22.615 -7.066 1.00 14.43 C ATOM 317 O ASN A 19 -11.872 23.136 -6.229 1.00 72.14 O ATOM 318 CB ASN A 19 -10.166 24.352 -8.614 1.00 45.43 C ATOM 319 CG ASN A 19 -8.726 24.024 -8.203 1.00 63.35 C ATOM 320 OD1 ASN A 19 -7.939 23.503 -8.996 1.00 63.44 O ATOM 321 ND2 ASN A 19 -8.352 24.373 -7.001 1.00 2.25 N ATOM 0 H ASN A 19 -12.932 24.175 -8.248 1.00 63.12 H new ATOM 0 HA ASN A 19 -10.758 22.384 -9.127 1.00 44.23 H new ATOM 0 HB2 ASN A 19 -10.173 24.684 -9.652 1.00 45.43 H new ATOM 0 HB3 ASN A 19 -10.527 25.185 -8.011 1.00 45.43 H new ATOM 0 HD21 ASN A 19 -7.390 24.216 -6.700 1.00 2.25 H new ATOM 0 HD22 ASN A 19 -9.022 24.803 -6.363 1.00 2.25 H new ATOM 328 N MET A 20 -10.363 21.568 -6.855 1.00 44.41 N ATOM 329 CA MET A 20 -10.257 20.791 -5.609 1.00 54.44 C ATOM 330 C MET A 20 -11.106 19.565 -5.661 1.00 65.02 C ATOM 331 O MET A 20 -12.187 19.482 -5.078 1.00 51.31 O ATOM 332 CB MET A 20 -10.391 21.566 -4.275 1.00 51.22 C ATOM 333 CG MET A 20 -9.313 22.615 -4.040 1.00 63.40 C ATOM 334 SD MET A 20 -9.448 23.413 -2.425 1.00 43.55 S ATOM 335 CE MET A 20 -11.128 24.043 -2.499 1.00 53.32 C ATOM 0 H MET A 20 -9.742 21.215 -7.583 1.00 44.41 H new ATOM 0 HA MET A 20 -9.209 20.493 -5.581 1.00 54.44 H new ATOM 0 HB2 MET A 20 -11.366 22.054 -4.250 1.00 51.22 H new ATOM 0 HB3 MET A 20 -10.370 20.852 -3.452 1.00 51.22 H new ATOM 0 HG2 MET A 20 -8.333 22.147 -4.127 1.00 63.40 H new ATOM 0 HG3 MET A 20 -9.375 23.373 -4.821 1.00 63.40 H new ATOM 0 HE1 MET A 20 -11.191 24.979 -1.943 1.00 53.32 H new ATOM 0 HE2 MET A 20 -11.405 24.219 -3.538 1.00 53.32 H new ATOM 0 HE3 MET A 20 -11.810 23.314 -2.060 1.00 53.32 H new ATOM 345 N GLU A 21 -10.613 18.645 -6.440 1.00 5.01 N ATOM 346 CA GLU A 21 -11.183 17.371 -6.671 1.00 33.41 C ATOM 347 C GLU A 21 -10.059 16.442 -7.123 1.00 40.31 C ATOM 348 O GLU A 21 -9.629 16.465 -8.270 1.00 22.43 O ATOM 349 CB GLU A 21 -12.337 17.450 -7.711 1.00 2.44 C ATOM 350 CG GLU A 21 -12.006 18.224 -8.991 1.00 42.54 C ATOM 351 CD GLU A 21 -13.107 18.188 -10.028 1.00 1.44 C ATOM 352 OE1 GLU A 21 -13.139 17.249 -10.830 1.00 14.54 O ATOM 353 OE2 GLU A 21 -13.930 19.119 -10.100 1.00 4.25 O ATOM 0 H GLU A 21 -9.746 18.785 -6.959 1.00 5.01 H new ATOM 0 HA GLU A 21 -11.635 16.981 -5.759 1.00 33.41 H new ATOM 0 HB2 GLU A 21 -12.630 16.436 -7.983 1.00 2.44 H new ATOM 0 HB3 GLU A 21 -13.201 17.915 -7.237 1.00 2.44 H new ATOM 0 HG2 GLU A 21 -11.797 19.262 -8.733 1.00 42.54 H new ATOM 0 HG3 GLU A 21 -11.095 17.814 -9.427 1.00 42.54 H new ATOM 360 N HIS A 22 -9.482 15.734 -6.191 1.00 14.14 N ATOM 361 CA HIS A 22 -8.437 14.795 -6.524 1.00 12.24 C ATOM 362 C HIS A 22 -8.570 13.596 -5.684 1.00 33.12 C ATOM 363 O HIS A 22 -8.544 13.683 -4.465 1.00 12.34 O ATOM 364 CB HIS A 22 -7.032 15.371 -6.338 1.00 22.43 C ATOM 365 CG HIS A 22 -5.932 14.535 -6.954 1.00 71.54 C ATOM 366 ND1 HIS A 22 -4.939 13.820 -6.379 1.00 43.13 N flip ATOM 367 CD2 HIS A 22 -5.756 14.385 -8.310 1.00 31.44 C flip ATOM 368 CE1 HIS A 22 -4.159 13.241 -7.376 1.00 64.44 C flip ATOM 369 NE2 HIS A 22 -4.692 13.608 -8.508 1.00 71.31 N flip ATOM 0 H HIS A 22 -9.713 15.786 -5.199 1.00 14.14 H new ATOM 0 HA HIS A 22 -8.556 14.553 -7.580 1.00 12.24 H new ATOM 0 HB2 HIS A 22 -7.001 16.370 -6.773 1.00 22.43 H new ATOM 0 HB3 HIS A 22 -6.835 15.481 -5.272 1.00 22.43 H new ATOM 0 HD1 HIS A 22 -4.786 13.721 -5.375 1.00 43.13 H new ATOM 0 HD2 HIS A 22 -6.374 14.822 -9.081 1.00 31.44 H new ATOM 0 HE1 HIS A 22 -3.289 12.615 -7.240 1.00 64.44 H new ATOM 377 N ILE A 23 -8.739 12.515 -6.332 1.00 12.42 N ATOM 378 CA ILE A 23 -8.790 11.241 -5.739 1.00 73.24 C ATOM 379 C ILE A 23 -7.882 10.397 -6.596 1.00 70.54 C ATOM 380 O ILE A 23 -7.814 10.608 -7.817 1.00 64.34 O ATOM 381 CB ILE A 23 -10.251 10.664 -5.730 1.00 74.35 C ATOM 382 CG1 ILE A 23 -11.200 11.524 -4.860 1.00 11.22 C ATOM 383 CG2 ILE A 23 -10.286 9.214 -5.270 1.00 34.23 C ATOM 384 CD1 ILE A 23 -10.841 11.581 -3.382 1.00 12.32 C ATOM 0 H ILE A 23 -8.852 12.492 -7.345 1.00 12.42 H new ATOM 0 HA ILE A 23 -8.481 11.264 -4.694 1.00 73.24 H new ATOM 0 HB ILE A 23 -10.604 10.700 -6.761 1.00 74.35 H new ATOM 0 HG12 ILE A 23 -11.211 12.540 -5.255 1.00 11.22 H new ATOM 0 HG13 ILE A 23 -12.213 11.133 -4.958 1.00 11.22 H new ATOM 0 HG21 ILE A 23 -11.315 8.854 -5.279 1.00 34.23 H new ATOM 0 HG22 ILE A 23 -9.683 8.604 -5.943 1.00 34.23 H new ATOM 0 HG23 ILE A 23 -9.885 9.143 -4.259 1.00 34.23 H new ATOM 0 HD11 ILE A 23 -11.563 12.206 -2.856 1.00 12.32 H new ATOM 0 HD12 ILE A 23 -10.860 10.575 -2.964 1.00 12.32 H new ATOM 0 HD13 ILE A 23 -9.843 12.003 -3.266 1.00 12.32 H new ATOM 396 N CYS A 24 -7.186 9.510 -6.003 1.00 51.53 N ATOM 397 CA CYS A 24 -6.269 8.684 -6.727 1.00 73.42 C ATOM 398 C CYS A 24 -6.820 7.250 -6.829 1.00 70.52 C ATOM 399 O CYS A 24 -7.625 6.816 -5.982 1.00 71.42 O ATOM 400 CB CYS A 24 -4.896 8.714 -6.040 1.00 30.34 C ATOM 401 SG CYS A 24 -4.212 10.392 -5.831 1.00 13.35 S ATOM 0 H CYS A 24 -7.226 9.325 -5.001 1.00 51.53 H new ATOM 0 HA CYS A 24 -6.149 9.066 -7.741 1.00 73.42 H new ATOM 0 HB2 CYS A 24 -4.980 8.242 -5.061 1.00 30.34 H new ATOM 0 HB3 CYS A 24 -4.195 8.117 -6.623 1.00 30.34 H new ATOM 406 N PRO A 25 -6.471 6.530 -7.918 1.00 1.22 N ATOM 407 CA PRO A 25 -6.985 5.181 -8.190 1.00 62.00 C ATOM 408 C PRO A 25 -6.545 4.120 -7.169 1.00 62.31 C ATOM 409 O PRO A 25 -5.404 4.141 -6.687 1.00 50.33 O ATOM 410 CB PRO A 25 -6.381 4.835 -9.556 1.00 43.44 C ATOM 411 CG PRO A 25 -5.966 6.129 -10.138 1.00 53.31 C ATOM 412 CD PRO A 25 -5.557 6.975 -8.986 1.00 63.32 C ATOM 0 HA PRO A 25 -8.074 5.179 -8.146 1.00 62.00 H new ATOM 0 HB2 PRO A 25 -5.531 4.160 -9.451 1.00 43.44 H new ATOM 0 HB3 PRO A 25 -7.110 4.333 -10.193 1.00 43.44 H new ATOM 0 HG2 PRO A 25 -5.142 5.997 -10.839 1.00 53.31 H new ATOM 0 HG3 PRO A 25 -6.784 6.590 -10.691 1.00 53.31 H new ATOM 0 HD2 PRO A 25 -4.513 6.816 -8.718 1.00 63.32 H new ATOM 0 HD3 PRO A 25 -5.673 8.037 -9.202 1.00 63.32 H new ATOM 420 N PRO A 26 -7.454 3.174 -6.835 1.00 41.12 N ATOM 421 CA PRO A 26 -7.149 2.050 -5.949 1.00 4.31 C ATOM 422 C PRO A 26 -6.076 1.151 -6.556 1.00 4.34 C ATOM 423 O PRO A 26 -6.195 0.703 -7.714 1.00 24.04 O ATOM 424 CB PRO A 26 -8.475 1.270 -5.876 1.00 23.15 C ATOM 425 CG PRO A 26 -9.514 2.249 -6.272 1.00 32.50 C ATOM 426 CD PRO A 26 -8.862 3.145 -7.277 1.00 40.02 C ATOM 0 HA PRO A 26 -6.778 2.382 -4.980 1.00 4.31 H new ATOM 0 HB2 PRO A 26 -8.466 0.411 -6.546 1.00 23.15 H new ATOM 0 HB3 PRO A 26 -8.654 0.888 -4.871 1.00 23.15 H new ATOM 0 HG2 PRO A 26 -10.382 1.747 -6.699 1.00 32.50 H new ATOM 0 HG3 PRO A 26 -9.866 2.817 -5.411 1.00 32.50 H new ATOM 0 HD2 PRO A 26 -8.959 2.753 -8.289 1.00 40.02 H new ATOM 0 HD3 PRO A 26 -9.305 4.141 -7.277 1.00 40.02 H new ATOM 434 N MET A 27 -5.045 0.912 -5.812 1.00 11.32 N ATOM 435 CA MET A 27 -3.976 0.049 -6.228 1.00 60.14 C ATOM 436 C MET A 27 -4.155 -1.276 -5.561 1.00 53.13 C ATOM 437 O MET A 27 -4.615 -1.337 -4.429 1.00 10.23 O ATOM 438 CB MET A 27 -2.631 0.627 -5.835 1.00 12.44 C ATOM 439 CG MET A 27 -2.325 1.959 -6.459 1.00 13.43 C ATOM 440 SD MET A 27 -0.713 2.604 -5.971 1.00 22.25 S ATOM 441 CE MET A 27 0.378 1.315 -6.559 1.00 55.43 C ATOM 0 H MET A 27 -4.915 1.314 -4.884 1.00 11.32 H new ATOM 0 HA MET A 27 -4.001 -0.055 -7.313 1.00 60.14 H new ATOM 0 HB2 MET A 27 -2.596 0.730 -4.750 1.00 12.44 H new ATOM 0 HB3 MET A 27 -1.849 -0.080 -6.113 1.00 12.44 H new ATOM 0 HG2 MET A 27 -2.360 1.864 -7.544 1.00 13.43 H new ATOM 0 HG3 MET A 27 -3.098 2.674 -6.177 1.00 13.43 H new ATOM 0 HE1 MET A 27 1.281 1.764 -6.974 1.00 55.43 H new ATOM 0 HE2 MET A 27 0.646 0.660 -5.731 1.00 55.43 H new ATOM 0 HE3 MET A 27 -0.127 0.735 -7.331 1.00 55.43 H new ATOM 451 N VAL A 28 -3.807 -2.326 -6.236 1.00 65.22 N ATOM 452 CA VAL A 28 -3.977 -3.646 -5.686 1.00 62.41 C ATOM 453 C VAL A 28 -2.696 -4.421 -5.840 1.00 65.25 C ATOM 454 O VAL A 28 -2.178 -4.575 -6.955 1.00 1.52 O ATOM 455 CB VAL A 28 -5.146 -4.421 -6.355 1.00 14.41 C ATOM 456 CG1 VAL A 28 -5.282 -5.795 -5.743 1.00 5.23 C ATOM 457 CG2 VAL A 28 -6.457 -3.671 -6.212 1.00 4.14 C ATOM 0 H VAL A 28 -3.402 -2.301 -7.172 1.00 65.22 H new ATOM 0 HA VAL A 28 -4.227 -3.534 -4.631 1.00 62.41 H new ATOM 0 HB VAL A 28 -4.916 -4.516 -7.416 1.00 14.41 H new ATOM 0 HG11 VAL A 28 -6.105 -6.327 -6.221 1.00 5.23 H new ATOM 0 HG12 VAL A 28 -4.356 -6.352 -5.889 1.00 5.23 H new ATOM 0 HG13 VAL A 28 -5.483 -5.700 -4.676 1.00 5.23 H new ATOM 0 HG21 VAL A 28 -7.255 -4.239 -6.690 1.00 4.14 H new ATOM 0 HG22 VAL A 28 -6.688 -3.540 -5.155 1.00 4.14 H new ATOM 0 HG23 VAL A 28 -6.371 -2.694 -6.688 1.00 4.14 H new ATOM 467 N ILE A 29 -2.165 -4.859 -4.736 1.00 4.11 N ATOM 468 CA ILE A 29 -0.966 -5.626 -4.711 1.00 1.10 C ATOM 469 C ILE A 29 -1.247 -6.812 -3.843 1.00 64.10 C ATOM 470 O ILE A 29 -1.310 -6.721 -2.617 1.00 72.05 O ATOM 471 CB ILE A 29 0.297 -4.841 -4.187 1.00 43.42 C ATOM 472 CG1 ILE A 29 0.709 -3.687 -5.122 1.00 70.41 C ATOM 473 CG2 ILE A 29 1.481 -5.772 -4.000 1.00 15.21 C ATOM 474 CD1 ILE A 29 -0.139 -2.430 -5.034 1.00 0.23 C ATOM 0 H ILE A 29 -2.565 -4.687 -3.814 1.00 4.11 H new ATOM 0 HA ILE A 29 -0.705 -5.904 -5.732 1.00 1.10 H new ATOM 0 HB ILE A 29 0.007 -4.414 -3.227 1.00 43.42 H new ATOM 0 HG12 ILE A 29 1.743 -3.421 -4.905 1.00 70.41 H new ATOM 0 HG13 ILE A 29 0.682 -4.050 -6.150 1.00 70.41 H new ATOM 0 HG21 ILE A 29 2.337 -5.203 -3.638 1.00 15.21 H new ATOM 0 HG22 ILE A 29 1.226 -6.544 -3.275 1.00 15.21 H new ATOM 0 HG23 ILE A 29 1.732 -6.238 -4.953 1.00 15.21 H new ATOM 0 HD11 ILE A 29 0.240 -1.685 -5.734 1.00 0.23 H new ATOM 0 HD12 ILE A 29 -1.172 -2.670 -5.284 1.00 0.23 H new ATOM 0 HD13 ILE A 29 -0.094 -2.031 -4.021 1.00 0.23 H new ATOM 486 N GLY A 30 -1.472 -7.896 -4.464 1.00 10.24 N ATOM 487 CA GLY A 30 -1.860 -9.047 -3.750 1.00 50.30 C ATOM 488 C GLY A 30 -0.888 -10.150 -3.873 1.00 40.23 C ATOM 489 O GLY A 30 0.185 -9.979 -4.456 1.00 55.03 O ATOM 0 H GLY A 30 -1.395 -8.016 -5.474 1.00 10.24 H new ATOM 0 HA2 GLY A 30 -1.982 -8.792 -2.697 1.00 50.30 H new ATOM 0 HA3 GLY A 30 -2.832 -9.383 -4.112 1.00 50.30 H new ATOM 493 N ASP A 31 -1.287 -11.272 -3.350 1.00 50.03 N ATOM 494 CA ASP A 31 -0.518 -12.500 -3.297 1.00 13.42 C ATOM 495 C ASP A 31 0.615 -12.375 -2.296 1.00 32.11 C ATOM 496 O ASP A 31 1.781 -12.208 -2.649 1.00 10.24 O ATOM 497 CB ASP A 31 -0.016 -12.983 -4.672 1.00 3.25 C ATOM 498 CG ASP A 31 0.384 -14.436 -4.650 1.00 14.22 C ATOM 499 OD1 ASP A 31 1.490 -14.782 -4.196 1.00 71.14 O ATOM 500 OD2 ASP A 31 -0.430 -15.278 -5.079 1.00 15.35 O ATOM 0 H ASP A 31 -2.208 -11.370 -2.923 1.00 50.03 H new ATOM 0 HA ASP A 31 -1.202 -13.278 -2.958 1.00 13.42 H new ATOM 0 HB2 ASP A 31 -0.798 -12.834 -5.416 1.00 3.25 H new ATOM 0 HB3 ASP A 31 0.836 -12.377 -4.980 1.00 3.25 H new ATOM 505 N ARG A 32 0.220 -12.286 -1.054 1.00 13.04 N ATOM 506 CA ARG A 32 1.094 -12.304 0.107 1.00 12.31 C ATOM 507 C ARG A 32 0.368 -13.124 1.118 1.00 41.24 C ATOM 508 O ARG A 32 -0.837 -13.070 1.142 1.00 71.20 O ATOM 509 CB ARG A 32 1.323 -10.890 0.740 1.00 72.42 C ATOM 510 CG ARG A 32 2.298 -9.939 0.039 1.00 74.25 C ATOM 511 CD ARG A 32 1.772 -9.403 -1.267 1.00 41.11 C ATOM 512 NE ARG A 32 2.747 -8.535 -1.928 1.00 34.04 N ATOM 513 CZ ARG A 32 3.259 -8.756 -3.143 1.00 45.24 C ATOM 514 NH1 ARG A 32 3.022 -9.913 -3.782 1.00 51.05 N ATOM 515 NH2 ARG A 32 4.039 -7.848 -3.701 1.00 13.12 N ATOM 0 H ARG A 32 -0.765 -12.194 -0.804 1.00 13.04 H new ATOM 0 HA ARG A 32 2.073 -12.683 -0.188 1.00 12.31 H new ATOM 0 HB2 ARG A 32 0.356 -10.391 0.802 1.00 72.42 H new ATOM 0 HB3 ARG A 32 1.673 -11.034 1.762 1.00 72.42 H new ATOM 0 HG2 ARG A 32 2.521 -9.104 0.703 1.00 74.25 H new ATOM 0 HG3 ARG A 32 3.237 -10.462 -0.143 1.00 74.25 H new ATOM 0 HD2 ARG A 32 1.519 -10.234 -1.926 1.00 41.11 H new ATOM 0 HD3 ARG A 32 0.852 -8.847 -1.088 1.00 41.11 H new ATOM 0 HE ARG A 32 3.058 -7.703 -1.427 1.00 34.04 H new ATOM 0 HH11 ARG A 32 2.448 -10.631 -3.341 1.00 51.05 H new ATOM 0 HH12 ARG A 32 3.416 -10.074 -4.709 1.00 51.05 H new ATOM 0 HH21 ARG A 32 4.249 -6.982 -3.205 1.00 13.12 H new ATOM 0 HH22 ARG A 32 4.432 -8.013 -4.628 1.00 13.12 H new ATOM 529 N SER A 33 1.036 -13.905 1.913 1.00 23.14 N ATOM 530 CA SER A 33 0.333 -14.590 2.960 1.00 4.35 C ATOM 531 C SER A 33 0.091 -13.595 4.100 1.00 42.11 C ATOM 532 O SER A 33 0.510 -12.443 4.008 1.00 23.23 O ATOM 533 CB SER A 33 1.079 -15.846 3.432 1.00 54.11 C ATOM 534 OG SER A 33 0.261 -16.632 4.291 1.00 62.15 O ATOM 0 H SER A 33 2.039 -14.082 1.862 1.00 23.14 H new ATOM 0 HA SER A 33 -0.624 -14.951 2.583 1.00 4.35 H new ATOM 0 HB2 SER A 33 1.382 -16.439 2.569 1.00 54.11 H new ATOM 0 HB3 SER A 33 1.990 -15.557 3.956 1.00 54.11 H new ATOM 0 HG SER A 33 -0.618 -16.761 3.878 1.00 62.15 H new ATOM 540 N TYR A 34 -0.536 -14.042 5.152 1.00 40.12 N ATOM 541 CA TYR A 34 -0.941 -13.182 6.268 1.00 43.34 C ATOM 542 C TYR A 34 0.219 -12.426 6.860 1.00 64.13 C ATOM 543 O TYR A 34 0.192 -11.195 6.963 1.00 31.13 O ATOM 544 CB TYR A 34 -1.646 -14.010 7.342 1.00 41.04 C ATOM 545 CG TYR A 34 -2.040 -13.241 8.588 1.00 3.52 C ATOM 546 CD1 TYR A 34 -3.119 -12.368 8.581 1.00 11.41 C ATOM 547 CD2 TYR A 34 -1.331 -13.396 9.773 1.00 34.42 C ATOM 548 CE1 TYR A 34 -3.480 -11.678 9.711 1.00 51.13 C ATOM 549 CE2 TYR A 34 -1.689 -12.705 10.908 1.00 70.35 C ATOM 550 CZ TYR A 34 -2.763 -11.848 10.872 1.00 25.30 C ATOM 551 OH TYR A 34 -3.129 -11.159 12.003 1.00 62.41 O ATOM 0 H TYR A 34 -0.791 -15.022 5.276 1.00 40.12 H new ATOM 0 HA TYR A 34 -1.634 -12.440 5.872 1.00 43.34 H new ATOM 0 HB2 TYR A 34 -2.542 -14.453 6.908 1.00 41.04 H new ATOM 0 HB3 TYR A 34 -0.993 -14.833 7.632 1.00 41.04 H new ATOM 0 HD1 TYR A 34 -3.684 -12.229 7.671 1.00 11.41 H new ATOM 0 HD2 TYR A 34 -0.487 -14.069 9.804 1.00 34.42 H new ATOM 0 HE1 TYR A 34 -4.324 -11.004 9.689 1.00 51.13 H new ATOM 0 HE2 TYR A 34 -1.129 -12.835 11.822 1.00 70.35 H new ATOM 0 HH TYR A 34 -2.523 -11.390 12.738 1.00 62.41 H new ATOM 561 N ASP A 35 1.224 -13.153 7.203 1.00 11.35 N ATOM 562 CA ASP A 35 2.401 -12.577 7.834 1.00 63.21 C ATOM 563 C ASP A 35 3.131 -11.712 6.865 1.00 64.31 C ATOM 564 O ASP A 35 3.552 -10.622 7.196 1.00 1.42 O ATOM 565 CB ASP A 35 3.353 -13.635 8.391 1.00 45.33 C ATOM 566 CG ASP A 35 2.761 -14.446 9.506 1.00 44.41 C ATOM 567 OD1 ASP A 35 2.486 -13.896 10.591 1.00 55.33 O ATOM 568 OD2 ASP A 35 2.542 -15.661 9.313 1.00 12.54 O ATOM 0 H ASP A 35 1.272 -14.162 7.063 1.00 11.35 H new ATOM 0 HA ASP A 35 2.046 -11.983 8.676 1.00 63.21 H new ATOM 0 HB2 ASP A 35 3.651 -14.305 7.584 1.00 45.33 H new ATOM 0 HB3 ASP A 35 4.258 -13.145 8.750 1.00 45.33 H new ATOM 573 N ILE A 36 3.198 -12.177 5.635 1.00 63.40 N ATOM 574 CA ILE A 36 3.908 -11.480 4.584 1.00 75.25 C ATOM 575 C ILE A 36 3.226 -10.141 4.293 1.00 11.53 C ATOM 576 O ILE A 36 3.893 -9.129 4.076 1.00 44.24 O ATOM 577 CB ILE A 36 3.989 -12.334 3.289 1.00 22.41 C ATOM 578 CG1 ILE A 36 4.580 -13.715 3.608 1.00 73.52 C ATOM 579 CG2 ILE A 36 4.844 -11.625 2.231 1.00 23.02 C ATOM 580 CD1 ILE A 36 4.636 -14.658 2.424 1.00 1.31 C ATOM 0 H ILE A 36 2.762 -13.049 5.336 1.00 63.40 H new ATOM 0 HA ILE A 36 4.927 -11.300 4.927 1.00 75.25 H new ATOM 0 HB ILE A 36 2.982 -12.461 2.891 1.00 22.41 H new ATOM 0 HG12 ILE A 36 5.588 -13.584 4.001 1.00 73.52 H new ATOM 0 HG13 ILE A 36 3.988 -14.177 4.398 1.00 73.52 H new ATOM 0 HG21 ILE A 36 4.890 -12.237 1.330 1.00 23.02 H new ATOM 0 HG22 ILE A 36 4.399 -10.659 1.991 1.00 23.02 H new ATOM 0 HG23 ILE A 36 5.851 -11.474 2.619 1.00 23.02 H new ATOM 0 HD11 ILE A 36 5.066 -15.609 2.737 1.00 1.31 H new ATOM 0 HD12 ILE A 36 3.628 -14.823 2.043 1.00 1.31 H new ATOM 0 HD13 ILE A 36 5.254 -14.221 1.640 1.00 1.31 H new ATOM 592 N ALA A 37 1.895 -10.136 4.333 1.00 24.11 N ATOM 593 CA ALA A 37 1.132 -8.931 4.104 1.00 71.24 C ATOM 594 C ALA A 37 1.389 -7.942 5.220 1.00 20.20 C ATOM 595 O ALA A 37 1.610 -6.764 4.976 1.00 72.13 O ATOM 596 CB ALA A 37 -0.355 -9.238 3.986 1.00 42.42 C ATOM 0 H ALA A 37 1.329 -10.963 4.524 1.00 24.11 H new ATOM 0 HA ALA A 37 1.453 -8.490 3.160 1.00 71.24 H new ATOM 0 HB1 ALA A 37 -0.905 -8.313 3.814 1.00 42.42 H new ATOM 0 HB2 ALA A 37 -0.521 -9.919 3.151 1.00 42.42 H new ATOM 0 HB3 ALA A 37 -0.705 -9.702 4.908 1.00 42.42 H new ATOM 602 N MET A 38 1.420 -8.440 6.437 1.00 54.13 N ATOM 603 CA MET A 38 1.687 -7.600 7.589 1.00 13.32 C ATOM 604 C MET A 38 3.087 -7.037 7.530 1.00 72.35 C ATOM 605 O MET A 38 3.301 -5.860 7.801 1.00 2.25 O ATOM 606 CB MET A 38 1.476 -8.349 8.906 1.00 25.13 C ATOM 607 CG MET A 38 0.032 -8.693 9.230 1.00 60.13 C ATOM 608 SD MET A 38 -1.002 -7.232 9.478 1.00 74.10 S ATOM 609 CE MET A 38 -2.554 -8.002 9.928 1.00 32.21 C ATOM 0 H MET A 38 1.264 -9.424 6.657 1.00 54.13 H new ATOM 0 HA MET A 38 0.972 -6.778 7.556 1.00 13.32 H new ATOM 0 HB2 MET A 38 2.055 -9.272 8.877 1.00 25.13 H new ATOM 0 HB3 MET A 38 1.880 -7.744 9.718 1.00 25.13 H new ATOM 0 HG2 MET A 38 -0.384 -9.292 8.420 1.00 60.13 H new ATOM 0 HG3 MET A 38 0.004 -9.309 10.129 1.00 60.13 H new ATOM 0 HE1 MET A 38 -3.153 -7.301 10.509 1.00 32.21 H new ATOM 0 HE2 MET A 38 -3.097 -8.281 9.025 1.00 32.21 H new ATOM 0 HE3 MET A 38 -2.359 -8.893 10.524 1.00 32.21 H new ATOM 619 N GLU A 39 4.034 -7.856 7.133 1.00 61.31 N ATOM 620 CA GLU A 39 5.403 -7.416 7.065 1.00 73.35 C ATOM 621 C GLU A 39 5.612 -6.361 6.017 1.00 43.23 C ATOM 622 O GLU A 39 6.329 -5.381 6.262 1.00 71.02 O ATOM 623 CB GLU A 39 6.386 -8.555 6.889 1.00 24.21 C ATOM 624 CG GLU A 39 6.379 -9.560 8.014 1.00 43.35 C ATOM 625 CD GLU A 39 7.532 -10.504 7.919 1.00 3.31 C ATOM 626 OE1 GLU A 39 7.467 -11.483 7.165 1.00 24.54 O ATOM 627 OE2 GLU A 39 8.553 -10.258 8.605 1.00 62.40 O ATOM 0 H GLU A 39 3.880 -8.825 6.854 1.00 61.31 H new ATOM 0 HA GLU A 39 5.609 -6.966 8.036 1.00 73.35 H new ATOM 0 HB2 GLU A 39 6.163 -9.071 5.955 1.00 24.21 H new ATOM 0 HB3 GLU A 39 7.390 -8.142 6.793 1.00 24.21 H new ATOM 0 HG2 GLU A 39 6.415 -9.037 8.970 1.00 43.35 H new ATOM 0 HG3 GLU A 39 5.446 -10.123 7.994 1.00 43.35 H new ATOM 634 N ILE A 40 4.975 -6.516 4.876 1.00 32.43 N ATOM 635 CA ILE A 40 5.148 -5.542 3.842 1.00 44.31 C ATOM 636 C ILE A 40 4.429 -4.254 4.196 1.00 42.32 C ATOM 637 O ILE A 40 4.999 -3.178 4.078 1.00 74.45 O ATOM 638 CB ILE A 40 4.797 -6.052 2.395 1.00 21.40 C ATOM 639 CG1 ILE A 40 5.118 -4.968 1.349 1.00 31.22 C ATOM 640 CG2 ILE A 40 3.340 -6.495 2.280 1.00 53.33 C ATOM 641 CD1 ILE A 40 4.895 -5.401 -0.083 1.00 11.03 C ATOM 0 H ILE A 40 4.349 -7.290 4.652 1.00 32.43 H new ATOM 0 HA ILE A 40 6.218 -5.338 3.794 1.00 44.31 H new ATOM 0 HB ILE A 40 5.417 -6.927 2.199 1.00 21.40 H new ATOM 0 HG12 ILE A 40 4.503 -4.091 1.551 1.00 31.22 H new ATOM 0 HG13 ILE A 40 6.158 -4.663 1.466 1.00 31.22 H new ATOM 0 HG21 ILE A 40 3.143 -6.839 1.265 1.00 53.33 H new ATOM 0 HG22 ILE A 40 3.150 -7.307 2.981 1.00 53.33 H new ATOM 0 HG23 ILE A 40 2.685 -5.655 2.512 1.00 53.33 H new ATOM 0 HD11 ILE A 40 5.144 -4.579 -0.755 1.00 11.03 H new ATOM 0 HD12 ILE A 40 5.530 -6.258 -0.307 1.00 11.03 H new ATOM 0 HD13 ILE A 40 3.850 -5.678 -0.221 1.00 11.03 H new ATOM 653 N VAL A 41 3.232 -4.367 4.739 1.00 23.24 N ATOM 654 CA VAL A 41 2.457 -3.194 5.048 1.00 62.22 C ATOM 655 C VAL A 41 3.036 -2.446 6.250 1.00 21.23 C ATOM 656 O VAL A 41 3.087 -1.228 6.245 1.00 31.32 O ATOM 657 CB VAL A 41 0.940 -3.503 5.216 1.00 51.55 C ATOM 658 CG1 VAL A 41 0.156 -2.249 5.572 1.00 43.21 C ATOM 659 CG2 VAL A 41 0.393 -4.091 3.924 1.00 61.32 C ATOM 0 H VAL A 41 2.783 -5.253 4.971 1.00 23.24 H new ATOM 0 HA VAL A 41 2.530 -2.529 4.187 1.00 62.22 H new ATOM 0 HB VAL A 41 0.828 -4.219 6.030 1.00 51.55 H new ATOM 0 HG11 VAL A 41 -0.899 -2.499 5.682 1.00 43.21 H new ATOM 0 HG12 VAL A 41 0.532 -1.839 6.509 1.00 43.21 H new ATOM 0 HG13 VAL A 41 0.273 -1.510 4.780 1.00 43.21 H new ATOM 0 HG21 VAL A 41 -0.669 -4.307 4.043 1.00 61.32 H new ATOM 0 HG22 VAL A 41 0.529 -3.376 3.113 1.00 61.32 H new ATOM 0 HG23 VAL A 41 0.926 -5.012 3.689 1.00 61.32 H new ATOM 669 N ASN A 42 3.541 -3.173 7.241 1.00 64.21 N ATOM 670 CA ASN A 42 4.149 -2.525 8.408 1.00 1.12 C ATOM 671 C ASN A 42 5.507 -1.953 8.066 1.00 41.22 C ATOM 672 O ASN A 42 5.983 -1.012 8.712 1.00 53.12 O ATOM 673 CB ASN A 42 4.219 -3.446 9.642 1.00 25.51 C ATOM 674 CG ASN A 42 2.885 -3.579 10.364 1.00 62.33 C ATOM 675 OD1 ASN A 42 1.821 -3.433 9.766 1.00 31.12 O ATOM 676 ND2 ASN A 42 2.924 -3.857 11.645 1.00 74.22 N ATOM 0 H ASN A 42 3.545 -4.193 7.265 1.00 64.21 H new ATOM 0 HA ASN A 42 3.490 -1.701 8.683 1.00 1.12 H new ATOM 0 HB2 ASN A 42 4.558 -4.434 9.332 1.00 25.51 H new ATOM 0 HB3 ASN A 42 4.964 -3.057 10.336 1.00 25.51 H new ATOM 0 HD21 ASN A 42 2.056 -3.958 12.172 1.00 74.22 H new ATOM 0 HD22 ASN A 42 3.822 -3.973 12.115 1.00 74.22 H new ATOM 683 N GLY A 43 6.123 -2.508 7.039 1.00 15.24 N ATOM 684 CA GLY A 43 7.365 -1.984 6.561 1.00 15.41 C ATOM 685 C GLY A 43 7.140 -0.672 5.861 1.00 32.14 C ATOM 686 O GLY A 43 7.836 0.311 6.131 1.00 22.24 O ATOM 0 H GLY A 43 5.775 -3.320 6.528 1.00 15.24 H new ATOM 0 HA2 GLY A 43 8.055 -1.847 7.394 1.00 15.41 H new ATOM 0 HA3 GLY A 43 7.829 -2.695 5.877 1.00 15.41 H new ATOM 690 N VAL A 44 6.124 -0.643 5.000 1.00 75.32 N ATOM 691 CA VAL A 44 5.752 0.570 4.282 1.00 43.23 C ATOM 692 C VAL A 44 5.303 1.626 5.290 1.00 1.41 C ATOM 693 O VAL A 44 5.684 2.786 5.199 1.00 33.04 O ATOM 694 CB VAL A 44 4.609 0.321 3.245 1.00 64.32 C ATOM 695 CG1 VAL A 44 4.248 1.602 2.514 1.00 20.34 C ATOM 696 CG2 VAL A 44 4.993 -0.755 2.240 1.00 5.01 C ATOM 0 H VAL A 44 5.542 -1.452 4.783 1.00 75.32 H new ATOM 0 HA VAL A 44 6.626 0.910 3.727 1.00 43.23 H new ATOM 0 HB VAL A 44 3.739 -0.024 3.803 1.00 64.32 H new ATOM 0 HG11 VAL A 44 3.451 1.400 1.799 1.00 20.34 H new ATOM 0 HG12 VAL A 44 3.910 2.348 3.233 1.00 20.34 H new ATOM 0 HG13 VAL A 44 5.124 1.978 1.985 1.00 20.34 H new ATOM 0 HG21 VAL A 44 4.175 -0.902 1.534 1.00 5.01 H new ATOM 0 HG22 VAL A 44 5.888 -0.445 1.700 1.00 5.01 H new ATOM 0 HG23 VAL A 44 5.192 -1.689 2.765 1.00 5.01 H new ATOM 706 N ASP A 45 4.534 1.169 6.267 1.00 3.23 N ATOM 707 CA ASP A 45 4.007 1.976 7.393 1.00 24.32 C ATOM 708 C ASP A 45 5.099 2.762 8.038 1.00 45.54 C ATOM 709 O ASP A 45 5.025 3.988 8.144 1.00 14.42 O ATOM 710 CB ASP A 45 3.377 1.020 8.426 1.00 52.04 C ATOM 711 CG ASP A 45 2.952 1.641 9.751 1.00 65.25 C ATOM 712 OD1 ASP A 45 3.801 1.767 10.661 1.00 52.22 O ATOM 713 OD2 ASP A 45 1.746 1.911 9.929 1.00 41.23 O ATOM 0 H ASP A 45 4.241 0.193 6.313 1.00 3.23 H new ATOM 0 HA ASP A 45 3.261 2.676 7.017 1.00 24.32 H new ATOM 0 HB2 ASP A 45 2.503 0.553 7.971 1.00 52.04 H new ATOM 0 HB3 ASP A 45 4.091 0.224 8.635 1.00 52.04 H new ATOM 718 N ARG A 46 6.136 2.065 8.391 1.00 61.43 N ATOM 719 CA ARG A 46 7.254 2.653 9.077 1.00 71.31 C ATOM 720 C ARG A 46 7.944 3.688 8.196 1.00 45.32 C ATOM 721 O ARG A 46 8.307 4.764 8.659 1.00 62.15 O ATOM 722 CB ARG A 46 8.226 1.556 9.518 1.00 31.34 C ATOM 723 CG ARG A 46 9.580 2.037 10.016 1.00 30.31 C ATOM 724 CD ARG A 46 10.477 0.848 10.297 1.00 14.01 C ATOM 725 NE ARG A 46 11.865 1.230 10.568 1.00 32.41 N ATOM 726 CZ ARG A 46 12.924 0.426 10.384 1.00 64.10 C ATOM 727 NH1 ARG A 46 12.756 -0.854 10.034 1.00 1.04 N ATOM 728 NH2 ARG A 46 14.143 0.892 10.575 1.00 12.13 N ATOM 0 H ARG A 46 6.234 1.066 8.212 1.00 61.43 H new ATOM 0 HA ARG A 46 6.895 3.171 9.966 1.00 71.31 H new ATOM 0 HB2 ARG A 46 7.754 0.974 10.310 1.00 31.34 H new ATOM 0 HB3 ARG A 46 8.387 0.880 8.678 1.00 31.34 H new ATOM 0 HG2 ARG A 46 10.042 2.685 9.271 1.00 30.31 H new ATOM 0 HG3 ARG A 46 9.454 2.631 10.921 1.00 30.31 H new ATOM 0 HD2 ARG A 46 10.084 0.297 11.152 1.00 14.01 H new ATOM 0 HD3 ARG A 46 10.452 0.171 9.443 1.00 14.01 H new ATOM 0 HE ARG A 46 12.039 2.171 10.921 1.00 32.41 H new ATOM 0 HH11 ARG A 46 11.816 -1.228 9.904 1.00 1.04 H new ATOM 0 HH12 ARG A 46 13.568 -1.456 9.897 1.00 1.04 H new ATOM 0 HH21 ARG A 46 14.279 1.861 10.862 1.00 12.13 H new ATOM 0 HH22 ARG A 46 14.949 0.283 10.436 1.00 12.13 H new ATOM 742 N VAL A 47 8.069 3.378 6.926 1.00 65.31 N ATOM 743 CA VAL A 47 8.716 4.273 5.997 1.00 72.42 C ATOM 744 C VAL A 47 7.864 5.526 5.774 1.00 42.12 C ATOM 745 O VAL A 47 8.396 6.640 5.684 1.00 0.13 O ATOM 746 CB VAL A 47 9.073 3.572 4.656 1.00 50.44 C ATOM 747 CG1 VAL A 47 9.685 4.550 3.654 1.00 3.22 C ATOM 748 CG2 VAL A 47 10.045 2.428 4.918 1.00 53.14 C ATOM 0 H VAL A 47 7.730 2.510 6.512 1.00 65.31 H new ATOM 0 HA VAL A 47 9.662 4.582 6.442 1.00 72.42 H new ATOM 0 HB VAL A 47 8.151 3.184 4.224 1.00 50.44 H new ATOM 0 HG11 VAL A 47 9.921 4.023 2.729 1.00 3.22 H new ATOM 0 HG12 VAL A 47 8.974 5.349 3.445 1.00 3.22 H new ATOM 0 HG13 VAL A 47 10.597 4.976 4.072 1.00 3.22 H new ATOM 0 HG21 VAL A 47 10.293 1.939 3.976 1.00 53.14 H new ATOM 0 HG22 VAL A 47 10.954 2.820 5.374 1.00 53.14 H new ATOM 0 HG23 VAL A 47 9.584 1.706 5.592 1.00 53.14 H new ATOM 758 N ILE A 48 6.545 5.354 5.752 1.00 73.42 N ATOM 759 CA ILE A 48 5.642 6.472 5.606 1.00 12.34 C ATOM 760 C ILE A 48 5.703 7.352 6.845 1.00 44.41 C ATOM 761 O ILE A 48 5.819 8.549 6.745 1.00 24.14 O ATOM 762 CB ILE A 48 4.176 6.013 5.333 1.00 52.33 C ATOM 763 CG1 ILE A 48 4.085 5.247 4.001 1.00 2.22 C ATOM 764 CG2 ILE A 48 3.235 7.207 5.317 1.00 73.33 C ATOM 765 CD1 ILE A 48 2.688 4.740 3.668 1.00 5.14 C ATOM 0 H ILE A 48 6.086 4.447 5.834 1.00 73.42 H new ATOM 0 HA ILE A 48 5.964 7.046 4.737 1.00 12.34 H new ATOM 0 HB ILE A 48 3.875 5.344 6.139 1.00 52.33 H new ATOM 0 HG12 ILE A 48 4.425 5.899 3.196 1.00 2.22 H new ATOM 0 HG13 ILE A 48 4.769 4.399 4.035 1.00 2.22 H new ATOM 0 HG21 ILE A 48 2.218 6.866 5.125 1.00 73.33 H new ATOM 0 HG22 ILE A 48 3.272 7.713 6.282 1.00 73.33 H new ATOM 0 HG23 ILE A 48 3.539 7.900 4.532 1.00 73.33 H new ATOM 0 HD11 ILE A 48 2.710 4.212 2.715 1.00 5.14 H new ATOM 0 HD12 ILE A 48 2.351 4.061 4.451 1.00 5.14 H new ATOM 0 HD13 ILE A 48 2.001 5.584 3.599 1.00 5.14 H new ATOM 777 N LYS A 49 5.708 6.739 7.999 1.00 41.14 N ATOM 778 CA LYS A 49 5.720 7.475 9.253 1.00 65.11 C ATOM 779 C LYS A 49 7.091 8.100 9.559 1.00 42.32 C ATOM 780 O LYS A 49 7.213 8.946 10.447 1.00 14.15 O ATOM 781 CB LYS A 49 5.256 6.578 10.393 1.00 74.03 C ATOM 782 CG LYS A 49 3.833 6.054 10.207 1.00 1.22 C ATOM 783 CD LYS A 49 3.382 5.109 11.322 1.00 61.51 C ATOM 784 CE LYS A 49 2.963 5.826 12.615 1.00 75.11 C ATOM 785 NZ LYS A 49 4.059 6.563 13.291 1.00 54.12 N ATOM 0 H LYS A 49 5.704 5.725 8.105 1.00 41.14 H new ATOM 0 HA LYS A 49 5.022 8.306 9.150 1.00 65.11 H new ATOM 0 HB2 LYS A 49 5.938 5.733 10.482 1.00 74.03 H new ATOM 0 HB3 LYS A 49 5.312 7.133 11.329 1.00 74.03 H new ATOM 0 HG2 LYS A 49 3.146 6.899 10.157 1.00 1.22 H new ATOM 0 HG3 LYS A 49 3.768 5.534 9.251 1.00 1.22 H new ATOM 0 HD2 LYS A 49 2.544 4.512 10.962 1.00 61.51 H new ATOM 0 HD3 LYS A 49 4.193 4.417 11.548 1.00 61.51 H new ATOM 0 HE2 LYS A 49 2.160 6.526 12.384 1.00 75.11 H new ATOM 0 HE3 LYS A 49 2.555 5.090 13.308 1.00 75.11 H new ATOM 0 HZ1 LYS A 49 3.845 6.651 14.305 1.00 54.12 H new ATOM 0 HZ2 LYS A 49 4.952 6.045 13.170 1.00 54.12 H new ATOM 0 HZ3 LYS A 49 4.149 7.511 12.873 1.00 54.12 H new ATOM 799 N ALA A 50 8.119 7.651 8.872 1.00 45.13 N ATOM 800 CA ALA A 50 9.442 8.223 9.032 1.00 12.21 C ATOM 801 C ALA A 50 9.725 9.329 8.001 1.00 23.22 C ATOM 802 O ALA A 50 10.429 10.311 8.294 1.00 12.30 O ATOM 803 CB ALA A 50 10.510 7.143 8.955 1.00 13.33 C ATOM 0 H ALA A 50 8.066 6.890 8.195 1.00 45.13 H new ATOM 0 HA ALA A 50 9.473 8.681 10.020 1.00 12.21 H new ATOM 0 HB1 ALA A 50 11.494 7.595 9.078 1.00 13.33 H new ATOM 0 HB2 ALA A 50 10.346 6.412 9.746 1.00 13.33 H new ATOM 0 HB3 ALA A 50 10.457 6.647 7.986 1.00 13.33 H new ATOM 809 N SER A 51 9.187 9.170 6.809 1.00 51.32 N ATOM 810 CA SER A 51 9.434 10.093 5.730 1.00 12.12 C ATOM 811 C SER A 51 8.326 11.145 5.597 1.00 13.23 C ATOM 812 O SER A 51 8.514 12.199 4.983 1.00 72.04 O ATOM 813 CB SER A 51 9.585 9.302 4.436 1.00 20.40 C ATOM 814 OG SER A 51 10.535 8.256 4.606 1.00 34.33 O ATOM 0 H SER A 51 8.568 8.397 6.565 1.00 51.32 H new ATOM 0 HA SER A 51 10.352 10.640 5.946 1.00 12.12 H new ATOM 0 HB2 SER A 51 8.622 8.884 4.143 1.00 20.40 H new ATOM 0 HB3 SER A 51 9.903 9.965 3.631 1.00 20.40 H new ATOM 0 HG SER A 51 10.093 7.473 4.996 1.00 34.33 H new ATOM 820 N PHE A 52 7.185 10.859 6.159 1.00 71.31 N ATOM 821 CA PHE A 52 6.035 11.704 6.052 1.00 71.13 C ATOM 822 C PHE A 52 5.392 11.776 7.412 1.00 3.21 C ATOM 823 O PHE A 52 5.911 11.216 8.389 1.00 10.24 O ATOM 824 CB PHE A 52 5.000 11.116 5.036 1.00 11.21 C ATOM 825 CG PHE A 52 5.530 10.846 3.648 1.00 31.13 C ATOM 826 CD1 PHE A 52 6.364 9.774 3.426 1.00 14.41 C ATOM 827 CD2 PHE A 52 5.217 11.668 2.589 1.00 50.22 C ATOM 828 CE1 PHE A 52 6.883 9.517 2.193 1.00 43.31 C ATOM 829 CE2 PHE A 52 5.731 11.421 1.330 1.00 60.23 C ATOM 830 CZ PHE A 52 6.574 10.342 1.133 1.00 60.50 C ATOM 0 H PHE A 52 7.028 10.017 6.713 1.00 71.31 H new ATOM 0 HA PHE A 52 6.340 12.689 5.700 1.00 71.13 H new ATOM 0 HB2 PHE A 52 4.607 10.184 5.443 1.00 11.21 H new ATOM 0 HB3 PHE A 52 4.162 11.808 4.957 1.00 11.21 H new ATOM 0 HD1 PHE A 52 6.613 9.121 4.249 1.00 14.41 H new ATOM 0 HD2 PHE A 52 4.564 12.514 2.743 1.00 50.22 H new ATOM 0 HE1 PHE A 52 7.535 8.669 2.046 1.00 43.31 H new ATOM 0 HE2 PHE A 52 5.476 12.068 0.504 1.00 60.23 H new ATOM 0 HZ PHE A 52 6.988 10.147 0.154 1.00 60.50 H new ATOM 840 N ASN A 53 4.301 12.439 7.476 1.00 52.10 N ATOM 841 CA ASN A 53 3.524 12.507 8.659 1.00 51.51 C ATOM 842 C ASN A 53 2.309 11.676 8.430 1.00 24.53 C ATOM 843 O ASN A 53 1.541 11.940 7.500 1.00 73.11 O ATOM 844 CB ASN A 53 3.115 13.939 8.972 1.00 20.31 C ATOM 845 CG ASN A 53 2.231 14.055 10.214 1.00 42.34 C ATOM 846 OD1 ASN A 53 2.302 13.244 11.133 1.00 51.12 O ATOM 847 ND2 ASN A 53 1.412 15.071 10.258 1.00 12.31 N ATOM 0 H ASN A 53 3.912 12.962 6.692 1.00 52.10 H new ATOM 0 HA ASN A 53 4.105 12.144 9.507 1.00 51.51 H new ATOM 0 HB2 ASN A 53 4.011 14.543 9.114 1.00 20.31 H new ATOM 0 HB3 ASN A 53 2.583 14.354 8.116 1.00 20.31 H new ATOM 0 HD21 ASN A 53 0.810 15.206 11.070 1.00 12.31 H new ATOM 0 HD22 ASN A 53 1.374 15.729 9.480 1.00 12.31 H new ATOM 854 N ALA A 54 2.148 10.656 9.200 1.00 1.11 N ATOM 855 CA ALA A 54 1.021 9.832 9.044 1.00 45.03 C ATOM 856 C ALA A 54 0.451 9.447 10.375 1.00 14.12 C ATOM 857 O ALA A 54 1.175 9.084 11.303 1.00 3.25 O ATOM 858 CB ALA A 54 1.365 8.596 8.232 1.00 72.23 C ATOM 0 H ALA A 54 2.790 10.380 9.943 1.00 1.11 H new ATOM 0 HA ALA A 54 0.264 10.398 8.501 1.00 45.03 H new ATOM 0 HB1 ALA A 54 0.477 7.973 8.124 1.00 72.23 H new ATOM 0 HB2 ALA A 54 1.720 8.896 7.246 1.00 72.23 H new ATOM 0 HB3 ALA A 54 2.145 8.031 8.742 1.00 72.23 H new ATOM 864 N SER A 55 -0.822 9.536 10.467 1.00 62.33 N ATOM 865 CA SER A 55 -1.540 9.083 11.612 1.00 73.03 C ATOM 866 C SER A 55 -2.267 7.829 11.172 1.00 50.32 C ATOM 867 O SER A 55 -3.045 7.878 10.222 1.00 11.32 O ATOM 868 CB SER A 55 -2.521 10.170 12.055 1.00 15.15 C ATOM 869 OG SER A 55 -1.836 11.413 12.218 1.00 12.21 O ATOM 0 H SER A 55 -1.413 9.933 9.737 1.00 62.33 H new ATOM 0 HA SER A 55 -0.889 8.871 12.460 1.00 73.03 H new ATOM 0 HB2 SER A 55 -3.315 10.278 11.316 1.00 15.15 H new ATOM 0 HB3 SER A 55 -2.996 9.882 12.993 1.00 15.15 H new ATOM 0 HG SER A 55 -2.473 12.103 12.500 1.00 12.21 H new ATOM 875 N VAL A 56 -1.994 6.720 11.802 1.00 12.10 N ATOM 876 CA VAL A 56 -2.568 5.471 11.366 1.00 63.03 C ATOM 877 C VAL A 56 -3.766 5.089 12.241 1.00 33.21 C ATOM 878 O VAL A 56 -3.692 5.115 13.471 1.00 2.21 O ATOM 879 CB VAL A 56 -1.504 4.316 11.332 1.00 5.41 C ATOM 880 CG1 VAL A 56 -0.840 4.096 12.693 1.00 33.00 C ATOM 881 CG2 VAL A 56 -2.118 3.018 10.811 1.00 64.13 C ATOM 0 H VAL A 56 -1.382 6.652 12.615 1.00 12.10 H new ATOM 0 HA VAL A 56 -2.920 5.613 10.344 1.00 63.03 H new ATOM 0 HB VAL A 56 -0.721 4.629 10.641 1.00 5.41 H new ATOM 0 HG11 VAL A 56 -0.113 3.287 12.617 1.00 33.00 H new ATOM 0 HG12 VAL A 56 -0.335 5.010 13.003 1.00 33.00 H new ATOM 0 HG13 VAL A 56 -1.599 3.833 13.430 1.00 33.00 H new ATOM 0 HG21 VAL A 56 -1.359 2.236 10.798 1.00 64.13 H new ATOM 0 HG22 VAL A 56 -2.939 2.717 11.462 1.00 64.13 H new ATOM 0 HG23 VAL A 56 -2.495 3.174 9.800 1.00 64.13 H new ATOM 891 N GLU A 57 -4.869 4.818 11.609 1.00 21.54 N ATOM 892 CA GLU A 57 -6.052 4.392 12.295 1.00 53.41 C ATOM 893 C GLU A 57 -6.450 3.030 11.734 1.00 12.11 C ATOM 894 O GLU A 57 -6.728 2.909 10.548 1.00 5.12 O ATOM 895 CB GLU A 57 -7.175 5.409 12.067 1.00 14.22 C ATOM 896 CG GLU A 57 -8.374 5.215 12.969 1.00 64.14 C ATOM 897 CD GLU A 57 -8.040 5.482 14.411 1.00 24.24 C ATOM 898 OE1 GLU A 57 -7.492 4.571 15.097 1.00 41.01 O ATOM 899 OE2 GLU A 57 -8.300 6.605 14.887 1.00 52.33 O ATOM 0 H GLU A 57 -4.974 4.887 10.597 1.00 21.54 H new ATOM 0 HA GLU A 57 -5.871 4.318 13.367 1.00 53.41 H new ATOM 0 HB2 GLU A 57 -6.778 6.413 12.218 1.00 14.22 H new ATOM 0 HB3 GLU A 57 -7.501 5.348 11.029 1.00 14.22 H new ATOM 0 HG2 GLU A 57 -9.177 5.881 12.653 1.00 64.14 H new ATOM 0 HG3 GLU A 57 -8.745 4.195 12.865 1.00 64.14 H new ATOM 906 N GLU A 58 -6.430 2.014 12.550 1.00 52.03 N ATOM 907 CA GLU A 58 -6.751 0.677 12.086 1.00 55.51 C ATOM 908 C GLU A 58 -8.173 0.286 12.446 1.00 24.11 C ATOM 909 O GLU A 58 -8.533 0.227 13.620 1.00 3.31 O ATOM 910 CB GLU A 58 -5.755 -0.341 12.623 1.00 2.43 C ATOM 911 CG GLU A 58 -4.330 -0.076 12.175 1.00 55.23 C ATOM 912 CD GLU A 58 -3.379 -1.144 12.612 1.00 23.32 C ATOM 913 OE1 GLU A 58 -3.242 -2.153 11.902 1.00 20.13 O ATOM 914 OE2 GLU A 58 -2.740 -0.987 13.664 1.00 72.32 O ATOM 0 H GLU A 58 -6.196 2.077 13.541 1.00 52.03 H new ATOM 0 HA GLU A 58 -6.678 0.683 10.998 1.00 55.51 H new ATOM 0 HB2 GLU A 58 -5.793 -0.337 13.712 1.00 2.43 H new ATOM 0 HB3 GLU A 58 -6.052 -1.338 12.297 1.00 2.43 H new ATOM 0 HG2 GLU A 58 -4.304 0.005 11.088 1.00 55.23 H new ATOM 0 HG3 GLU A 58 -4.001 0.883 12.574 1.00 55.23 H new ATOM 921 N LEU A 59 -8.964 0.039 11.434 1.00 50.42 N ATOM 922 CA LEU A 59 -10.352 -0.347 11.574 1.00 1.21 C ATOM 923 C LEU A 59 -10.552 -1.699 10.905 1.00 60.44 C ATOM 924 O LEU A 59 -9.601 -2.277 10.345 1.00 14.22 O ATOM 925 CB LEU A 59 -11.329 0.676 10.929 1.00 3.51 C ATOM 926 CG LEU A 59 -11.303 2.134 11.428 1.00 43.33 C ATOM 927 CD1 LEU A 59 -10.133 2.908 10.845 1.00 62.22 C ATOM 928 CD2 LEU A 59 -12.611 2.829 11.112 1.00 50.25 C ATOM 0 H LEU A 59 -8.657 0.101 10.463 1.00 50.42 H new ATOM 0 HA LEU A 59 -10.575 -0.388 12.640 1.00 1.21 H new ATOM 0 HB2 LEU A 59 -11.134 0.689 9.857 1.00 3.51 H new ATOM 0 HB3 LEU A 59 -12.342 0.297 11.064 1.00 3.51 H new ATOM 0 HG LEU A 59 -11.173 2.108 12.510 1.00 43.33 H new ATOM 0 HD11 LEU A 59 -10.150 3.931 11.221 1.00 62.22 H new ATOM 0 HD12 LEU A 59 -9.198 2.429 11.137 1.00 62.22 H new ATOM 0 HD13 LEU A 59 -10.210 2.920 9.758 1.00 62.22 H new ATOM 0 HD21 LEU A 59 -12.573 3.857 11.472 1.00 50.25 H new ATOM 0 HD22 LEU A 59 -12.772 2.828 10.034 1.00 50.25 H new ATOM 0 HD23 LEU A 59 -13.430 2.303 11.602 1.00 50.25 H new ATOM 940 N GLU A 60 -11.750 -2.209 10.976 1.00 75.55 N ATOM 941 CA GLU A 60 -12.085 -3.452 10.349 1.00 24.24 C ATOM 942 C GLU A 60 -12.510 -3.179 8.928 1.00 23.41 C ATOM 943 O GLU A 60 -13.057 -2.097 8.619 1.00 21.13 O ATOM 944 CB GLU A 60 -13.219 -4.151 11.091 1.00 44.33 C ATOM 945 CG GLU A 60 -12.881 -4.591 12.498 1.00 23.51 C ATOM 946 CD GLU A 60 -11.811 -5.647 12.531 1.00 2.20 C ATOM 947 OE1 GLU A 60 -12.135 -6.843 12.368 1.00 72.15 O ATOM 948 OE2 GLU A 60 -10.623 -5.311 12.755 1.00 1.41 O ATOM 0 H GLU A 60 -12.524 -1.770 11.474 1.00 75.55 H new ATOM 0 HA GLU A 60 -11.212 -4.104 10.369 1.00 24.24 H new ATOM 0 HB2 GLU A 60 -14.076 -3.479 11.132 1.00 44.33 H new ATOM 0 HB3 GLU A 60 -13.526 -5.025 10.516 1.00 44.33 H new ATOM 0 HG2 GLU A 60 -12.552 -3.727 13.076 1.00 23.51 H new ATOM 0 HG3 GLU A 60 -13.780 -4.974 12.981 1.00 23.51 H new ATOM 955 N GLY A 61 -12.259 -4.124 8.084 1.00 71.11 N ATOM 956 CA GLY A 61 -12.631 -4.024 6.702 1.00 42.04 C ATOM 957 C GLY A 61 -13.992 -4.633 6.481 1.00 44.23 C ATOM 958 O GLY A 61 -14.567 -5.204 7.413 1.00 50.12 O ATOM 0 H GLY A 61 -11.788 -4.994 8.330 1.00 71.11 H new ATOM 0 HA2 GLY A 61 -12.639 -2.978 6.395 1.00 42.04 H new ATOM 0 HA3 GLY A 61 -11.893 -4.532 6.082 1.00 42.04 H new ATOM 962 N GLU A 62 -14.523 -4.538 5.289 1.00 74.21 N ATOM 963 CA GLU A 62 -15.852 -5.026 5.060 1.00 21.31 C ATOM 964 C GLU A 62 -15.874 -6.476 4.573 1.00 2.22 C ATOM 965 O GLU A 62 -15.100 -6.864 3.692 1.00 44.31 O ATOM 966 CB GLU A 62 -16.647 -4.119 4.114 1.00 24.11 C ATOM 967 CG GLU A 62 -16.031 -3.925 2.743 1.00 1.00 C ATOM 968 CD GLU A 62 -16.947 -3.184 1.817 1.00 44.45 C ATOM 969 OE1 GLU A 62 -16.907 -1.943 1.782 1.00 5.22 O ATOM 970 OE2 GLU A 62 -17.740 -3.834 1.103 1.00 65.32 O ATOM 0 H GLU A 62 -14.061 -4.133 4.475 1.00 74.21 H new ATOM 0 HA GLU A 62 -16.345 -5.006 6.032 1.00 21.31 H new ATOM 0 HB2 GLU A 62 -17.647 -4.535 3.991 1.00 24.11 H new ATOM 0 HB3 GLU A 62 -16.764 -3.143 4.584 1.00 24.11 H new ATOM 0 HG2 GLU A 62 -15.094 -3.378 2.841 1.00 1.00 H new ATOM 0 HG3 GLU A 62 -15.789 -4.897 2.313 1.00 1.00 H new ATOM 977 N ASP A 63 -16.754 -7.255 5.185 1.00 51.12 N ATOM 978 CA ASP A 63 -17.044 -8.673 4.850 1.00 62.11 C ATOM 979 C ASP A 63 -15.846 -9.603 4.951 1.00 42.00 C ATOM 980 O ASP A 63 -15.715 -10.348 5.919 1.00 14.54 O ATOM 981 CB ASP A 63 -17.760 -8.836 3.499 1.00 34.22 C ATOM 982 CG ASP A 63 -18.189 -10.278 3.241 1.00 13.33 C ATOM 983 OD1 ASP A 63 -19.263 -10.696 3.739 1.00 31.34 O ATOM 984 OD2 ASP A 63 -17.489 -11.006 2.511 1.00 10.41 O ATOM 0 H ASP A 63 -17.318 -6.917 5.965 1.00 51.12 H new ATOM 0 HA ASP A 63 -17.734 -8.989 5.632 1.00 62.11 H new ATOM 0 HB2 ASP A 63 -18.637 -8.189 3.474 1.00 34.22 H new ATOM 0 HB3 ASP A 63 -17.098 -8.507 2.698 1.00 34.22 H new ATOM 989 N CYS A 64 -14.982 -9.551 3.987 1.00 32.43 N ATOM 990 CA CYS A 64 -13.856 -10.428 3.950 1.00 72.43 C ATOM 991 C CYS A 64 -12.540 -9.628 3.980 1.00 71.03 C ATOM 992 O CYS A 64 -11.437 -10.189 3.854 1.00 51.10 O ATOM 993 CB CYS A 64 -13.942 -11.370 2.736 1.00 24.42 C ATOM 994 SG CYS A 64 -12.907 -12.876 2.861 1.00 71.51 S ATOM 0 H CYS A 64 -15.038 -8.900 3.204 1.00 32.43 H new ATOM 0 HA CYS A 64 -13.868 -11.054 4.842 1.00 72.43 H new ATOM 0 HB2 CYS A 64 -14.981 -11.670 2.599 1.00 24.42 H new ATOM 0 HB3 CYS A 64 -13.649 -10.818 1.843 1.00 24.42 H new ATOM 999 N ASP A 65 -12.648 -8.311 4.148 1.00 65.43 N ATOM 1000 CA ASP A 65 -11.478 -7.501 4.325 1.00 23.43 C ATOM 1001 C ASP A 65 -11.103 -7.630 5.769 1.00 22.33 C ATOM 1002 O ASP A 65 -11.920 -7.360 6.656 1.00 72.31 O ATOM 1003 CB ASP A 65 -11.688 -6.016 4.013 1.00 73.15 C ATOM 1004 CG ASP A 65 -12.168 -5.671 2.614 1.00 42.43 C ATOM 1005 OD1 ASP A 65 -11.898 -6.415 1.664 1.00 25.43 O ATOM 1006 OD2 ASP A 65 -12.836 -4.613 2.460 1.00 22.11 O ATOM 0 H ASP A 65 -13.531 -7.801 4.163 1.00 65.43 H new ATOM 0 HA ASP A 65 -10.713 -7.848 3.631 1.00 23.43 H new ATOM 0 HB2 ASP A 65 -12.409 -5.618 4.727 1.00 73.15 H new ATOM 0 HB3 ASP A 65 -10.746 -5.496 4.187 1.00 73.15 H new ATOM 1011 N VAL A 66 -9.911 -8.031 6.018 1.00 60.51 N ATOM 1012 CA VAL A 66 -9.485 -8.317 7.361 1.00 51.00 C ATOM 1013 C VAL A 66 -9.040 -7.077 8.102 1.00 51.54 C ATOM 1014 O VAL A 66 -9.350 -6.897 9.276 1.00 23.53 O ATOM 1015 CB VAL A 66 -8.409 -9.444 7.399 1.00 51.00 C ATOM 1016 CG1 VAL A 66 -7.876 -9.685 8.812 1.00 61.33 C ATOM 1017 CG2 VAL A 66 -9.005 -10.728 6.841 1.00 74.50 C ATOM 0 H VAL A 66 -9.195 -8.174 5.306 1.00 60.51 H new ATOM 0 HA VAL A 66 -10.359 -8.693 7.893 1.00 51.00 H new ATOM 0 HB VAL A 66 -7.566 -9.124 6.787 1.00 51.00 H new ATOM 0 HG11 VAL A 66 -7.129 -10.479 8.789 1.00 61.33 H new ATOM 0 HG12 VAL A 66 -7.421 -8.770 9.190 1.00 61.33 H new ATOM 0 HG13 VAL A 66 -8.697 -9.979 9.466 1.00 61.33 H new ATOM 0 HG21 VAL A 66 -8.255 -11.518 6.866 1.00 74.50 H new ATOM 0 HG22 VAL A 66 -9.863 -11.023 7.445 1.00 74.50 H new ATOM 0 HG23 VAL A 66 -9.324 -10.564 5.812 1.00 74.50 H new ATOM 1027 N LEU A 67 -8.406 -6.196 7.422 1.00 33.20 N ATOM 1028 CA LEU A 67 -7.860 -5.032 8.072 1.00 30.33 C ATOM 1029 C LEU A 67 -8.021 -3.858 7.183 1.00 2.14 C ATOM 1030 O LEU A 67 -7.854 -3.974 5.982 1.00 64.41 O ATOM 1031 CB LEU A 67 -6.373 -5.234 8.429 1.00 63.13 C ATOM 1032 CG LEU A 67 -5.678 -4.067 9.163 1.00 14.02 C ATOM 1033 CD1 LEU A 67 -6.302 -3.821 10.530 1.00 30.51 C ATOM 1034 CD2 LEU A 67 -4.189 -4.327 9.298 1.00 54.31 C ATOM 0 H LEU A 67 -8.245 -6.245 6.416 1.00 33.20 H new ATOM 0 HA LEU A 67 -8.401 -4.866 9.003 1.00 30.33 H new ATOM 0 HB2 LEU A 67 -6.289 -6.126 9.050 1.00 63.13 H new ATOM 0 HB3 LEU A 67 -5.825 -5.433 7.508 1.00 63.13 H new ATOM 0 HG LEU A 67 -5.820 -3.168 8.563 1.00 14.02 H new ATOM 0 HD11 LEU A 67 -5.790 -2.993 11.020 1.00 30.51 H new ATOM 0 HD12 LEU A 67 -7.357 -3.574 10.409 1.00 30.51 H new ATOM 0 HD13 LEU A 67 -6.207 -4.719 11.140 1.00 30.51 H new ATOM 0 HD21 LEU A 67 -3.720 -3.492 9.818 1.00 54.31 H new ATOM 0 HD22 LEU A 67 -4.030 -5.244 9.866 1.00 54.31 H new ATOM 0 HD23 LEU A 67 -3.747 -4.432 8.307 1.00 54.31 H new ATOM 1046 N TYR A 68 -8.397 -2.768 7.747 1.00 53.12 N ATOM 1047 CA TYR A 68 -8.549 -1.551 7.029 1.00 70.23 C ATOM 1048 C TYR A 68 -7.797 -0.480 7.801 1.00 21.03 C ATOM 1049 O TYR A 68 -8.248 -0.034 8.844 1.00 24.15 O ATOM 1050 CB TYR A 68 -10.047 -1.222 6.940 1.00 35.40 C ATOM 1051 CG TYR A 68 -10.452 -0.030 6.081 1.00 61.50 C ATOM 1052 CD1 TYR A 68 -9.801 1.194 6.165 1.00 41.43 C ATOM 1053 CD2 TYR A 68 -11.510 -0.140 5.197 1.00 44.43 C ATOM 1054 CE1 TYR A 68 -10.184 2.260 5.401 1.00 14.10 C ATOM 1055 CE2 TYR A 68 -11.909 0.930 4.428 1.00 2.33 C ATOM 1056 CZ TYR A 68 -11.241 2.128 4.532 1.00 52.12 C ATOM 1057 OH TYR A 68 -11.635 3.202 3.772 1.00 70.23 O ATOM 0 H TYR A 68 -8.613 -2.693 8.741 1.00 53.12 H new ATOM 0 HA TYR A 68 -8.153 -1.618 6.016 1.00 70.23 H new ATOM 0 HB2 TYR A 68 -10.564 -2.103 6.559 1.00 35.40 H new ATOM 0 HB3 TYR A 68 -10.415 -1.049 7.951 1.00 35.40 H new ATOM 0 HD1 TYR A 68 -8.973 1.306 6.850 1.00 41.43 H new ATOM 0 HD2 TYR A 68 -12.032 -1.081 5.108 1.00 44.43 H new ATOM 0 HE1 TYR A 68 -9.659 3.201 5.479 1.00 14.10 H new ATOM 0 HE2 TYR A 68 -12.741 0.829 3.747 1.00 2.33 H new ATOM 0 HH TYR A 68 -12.395 2.944 3.209 1.00 70.23 H new ATOM 1067 N ARG A 69 -6.657 -0.110 7.336 1.00 42.34 N ATOM 1068 CA ARG A 69 -5.910 0.907 7.999 1.00 65.32 C ATOM 1069 C ARG A 69 -5.923 2.196 7.212 1.00 32.43 C ATOM 1070 O ARG A 69 -5.504 2.260 6.059 1.00 73.14 O ATOM 1071 CB ARG A 69 -4.503 0.457 8.399 1.00 34.23 C ATOM 1072 CG ARG A 69 -3.683 -0.145 7.292 1.00 11.40 C ATOM 1073 CD ARG A 69 -2.257 -0.400 7.741 1.00 32.54 C ATOM 1074 NE ARG A 69 -2.155 -1.216 8.957 1.00 54.00 N ATOM 1075 CZ ARG A 69 -1.006 -1.718 9.429 1.00 54.03 C ATOM 1076 NH1 ARG A 69 0.157 -1.387 8.867 1.00 14.35 N ATOM 1077 NH2 ARG A 69 -1.020 -2.467 10.511 1.00 74.42 N ATOM 0 H ARG A 69 -6.218 -0.494 6.499 1.00 42.34 H new ATOM 0 HA ARG A 69 -6.414 1.108 8.944 1.00 65.32 H new ATOM 0 HB2 ARG A 69 -3.965 1.315 8.802 1.00 34.23 H new ATOM 0 HB3 ARG A 69 -4.588 -0.273 9.204 1.00 34.23 H new ATOM 0 HG2 ARG A 69 -4.137 -1.081 6.967 1.00 11.40 H new ATOM 0 HG3 ARG A 69 -3.682 0.524 6.432 1.00 11.40 H new ATOM 0 HD2 ARG A 69 -1.716 -0.896 6.935 1.00 32.54 H new ATOM 0 HD3 ARG A 69 -1.764 0.557 7.914 1.00 32.54 H new ATOM 0 HE ARG A 69 -3.012 -1.413 9.474 1.00 54.00 H new ATOM 0 HH11 ARG A 69 0.176 -0.748 8.072 1.00 14.35 H new ATOM 0 HH12 ARG A 69 1.028 -1.773 9.232 1.00 14.35 H new ATOM 0 HH21 ARG A 69 -1.902 -2.662 10.985 1.00 74.42 H new ATOM 0 HH22 ARG A 69 -0.149 -2.852 10.876 1.00 74.42 H new ATOM 1091 N LYS A 70 -6.439 3.186 7.850 1.00 70.43 N ATOM 1092 CA LYS A 70 -6.621 4.504 7.333 1.00 30.20 C ATOM 1093 C LYS A 70 -5.468 5.372 7.834 1.00 74.34 C ATOM 1094 O LYS A 70 -5.366 5.646 9.027 1.00 71.22 O ATOM 1095 CB LYS A 70 -7.937 5.021 7.927 1.00 40.54 C ATOM 1096 CG LYS A 70 -8.329 6.439 7.553 1.00 13.23 C ATOM 1097 CD LYS A 70 -9.550 6.904 8.354 1.00 63.33 C ATOM 1098 CE LYS A 70 -10.764 5.992 8.160 1.00 65.20 C ATOM 1099 NZ LYS A 70 -11.302 6.031 6.783 1.00 15.34 N ATOM 0 H LYS A 70 -6.768 3.095 8.811 1.00 70.43 H new ATOM 0 HA LYS A 70 -6.645 4.522 6.243 1.00 30.20 H new ATOM 0 HB2 LYS A 70 -8.739 4.351 7.618 1.00 40.54 H new ATOM 0 HB3 LYS A 70 -7.871 4.959 9.013 1.00 40.54 H new ATOM 0 HG2 LYS A 70 -7.491 7.112 7.738 1.00 13.23 H new ATOM 0 HG3 LYS A 70 -8.549 6.489 6.487 1.00 13.23 H new ATOM 0 HD2 LYS A 70 -9.293 6.940 9.413 1.00 63.33 H new ATOM 0 HD3 LYS A 70 -9.811 7.919 8.055 1.00 63.33 H new ATOM 0 HE2 LYS A 70 -10.485 4.968 8.406 1.00 65.20 H new ATOM 0 HE3 LYS A 70 -11.547 6.286 8.859 1.00 65.20 H new ATOM 0 HZ1 LYS A 70 -11.498 5.062 6.459 1.00 15.34 H new ATOM 0 HZ2 LYS A 70 -12.182 6.585 6.770 1.00 15.34 H new ATOM 0 HZ3 LYS A 70 -10.605 6.473 6.150 1.00 15.34 H new ATOM 1113 N TYR A 71 -4.585 5.729 6.969 1.00 42.21 N ATOM 1114 CA TYR A 71 -3.497 6.608 7.312 1.00 5.35 C ATOM 1115 C TYR A 71 -3.860 8.009 6.913 1.00 21.52 C ATOM 1116 O TYR A 71 -4.323 8.233 5.811 1.00 60.34 O ATOM 1117 CB TYR A 71 -2.221 6.255 6.561 1.00 53.25 C ATOM 1118 CG TYR A 71 -1.549 4.954 6.887 1.00 14.53 C ATOM 1119 CD1 TYR A 71 -1.958 3.781 6.289 1.00 61.41 C ATOM 1120 CD2 TYR A 71 -0.454 4.912 7.748 1.00 22.22 C ATOM 1121 CE1 TYR A 71 -1.318 2.598 6.542 1.00 43.44 C ATOM 1122 CE2 TYR A 71 0.209 3.724 8.002 1.00 33.55 C ATOM 1123 CZ TYR A 71 -0.236 2.568 7.392 1.00 74.32 C ATOM 1124 OH TYR A 71 0.388 1.375 7.648 1.00 15.02 O ATOM 0 H TYR A 71 -4.587 5.424 5.996 1.00 42.21 H new ATOM 0 HA TYR A 71 -3.326 6.510 8.384 1.00 5.35 H new ATOM 0 HB2 TYR A 71 -2.450 6.255 5.495 1.00 53.25 H new ATOM 0 HB3 TYR A 71 -1.501 7.055 6.732 1.00 53.25 H new ATOM 0 HD1 TYR A 71 -2.797 3.796 5.610 1.00 61.41 H new ATOM 0 HD2 TYR A 71 -0.117 5.821 8.225 1.00 22.22 H new ATOM 0 HE1 TYR A 71 -1.662 1.687 6.074 1.00 43.44 H new ATOM 0 HE2 TYR A 71 1.060 3.702 8.666 1.00 33.55 H new ATOM 0 HH TYR A 71 0.729 1.375 8.567 1.00 15.02 H new ATOM 1134 N THR A 72 -3.685 8.926 7.785 1.00 53.03 N ATOM 1135 CA THR A 72 -3.864 10.302 7.447 1.00 23.10 C ATOM 1136 C THR A 72 -2.494 10.849 7.117 1.00 45.03 C ATOM 1137 O THR A 72 -1.601 10.804 7.958 1.00 33.33 O ATOM 1138 CB THR A 72 -4.464 11.046 8.617 1.00 45.21 C ATOM 1139 OG1 THR A 72 -5.586 10.280 9.093 1.00 53.10 O ATOM 1140 CG2 THR A 72 -4.937 12.426 8.190 1.00 5.33 C ATOM 0 H THR A 72 -3.414 8.755 8.753 1.00 53.03 H new ATOM 0 HA THR A 72 -4.541 10.418 6.601 1.00 23.10 H new ATOM 0 HB THR A 72 -3.715 11.172 9.399 1.00 45.21 H new ATOM 0 HG1 THR A 72 -5.996 10.739 9.856 1.00 53.10 H new ATOM 0 HG21 THR A 72 -5.366 12.945 9.047 1.00 5.33 H new ATOM 0 HG22 THR A 72 -4.092 12.997 7.805 1.00 5.33 H new ATOM 0 HG23 THR A 72 -5.693 12.327 7.411 1.00 5.33 H new ATOM 1148 N LEU A 73 -2.328 11.299 5.911 1.00 20.25 N ATOM 1149 CA LEU A 73 -1.046 11.721 5.413 1.00 45.34 C ATOM 1150 C LEU A 73 -0.916 13.216 5.319 1.00 42.53 C ATOM 1151 O LEU A 73 -1.816 13.909 4.834 1.00 52.33 O ATOM 1152 CB LEU A 73 -0.772 11.106 4.038 1.00 62.33 C ATOM 1153 CG LEU A 73 0.125 9.866 3.982 1.00 14.31 C ATOM 1154 CD1 LEU A 73 1.524 10.208 4.449 1.00 73.51 C ATOM 1155 CD2 LEU A 73 -0.446 8.729 4.805 1.00 23.04 C ATOM 0 H LEU A 73 -3.085 11.386 5.233 1.00 20.25 H new ATOM 0 HA LEU A 73 -0.310 11.369 6.136 1.00 45.34 H new ATOM 0 HB2 LEU A 73 -1.731 10.848 3.588 1.00 62.33 H new ATOM 0 HB3 LEU A 73 -0.322 11.875 3.410 1.00 62.33 H new ATOM 0 HG LEU A 73 0.170 9.533 2.945 1.00 14.31 H new ATOM 0 HD11 LEU A 73 2.151 9.317 4.404 1.00 73.51 H new ATOM 0 HD12 LEU A 73 1.944 10.980 3.805 1.00 73.51 H new ATOM 0 HD13 LEU A 73 1.486 10.573 5.475 1.00 73.51 H new ATOM 0 HD21 LEU A 73 0.217 7.866 4.742 1.00 23.04 H new ATOM 0 HD22 LEU A 73 -0.536 9.042 5.845 1.00 23.04 H new ATOM 0 HD23 LEU A 73 -1.430 8.460 4.421 1.00 23.04 H new ATOM 1167 N GLU A 74 0.202 13.681 5.780 1.00 50.42 N ATOM 1168 CA GLU A 74 0.617 15.050 5.698 1.00 53.35 C ATOM 1169 C GLU A 74 2.076 15.076 5.294 1.00 70.33 C ATOM 1170 O GLU A 74 2.886 14.243 5.735 1.00 2.34 O ATOM 1171 CB GLU A 74 0.443 15.758 7.047 1.00 71.14 C ATOM 1172 CG GLU A 74 -0.978 16.147 7.404 1.00 75.52 C ATOM 1173 CD GLU A 74 -1.484 17.329 6.599 1.00 21.12 C ATOM 1174 OE1 GLU A 74 -0.696 17.960 5.845 1.00 52.41 O ATOM 1175 OE2 GLU A 74 -2.666 17.700 6.741 1.00 23.43 O ATOM 0 H GLU A 74 0.887 13.087 6.248 1.00 50.42 H new ATOM 0 HA GLU A 74 0.003 15.572 4.964 1.00 53.35 H new ATOM 0 HB2 GLU A 74 0.830 15.107 7.831 1.00 71.14 H new ATOM 0 HB3 GLU A 74 1.058 16.658 7.047 1.00 71.14 H new ATOM 0 HG2 GLU A 74 -1.636 15.293 7.240 1.00 75.52 H new ATOM 0 HG3 GLU A 74 -1.028 16.388 8.466 1.00 75.52 H new ATOM 1182 N LYS A 75 2.366 15.950 4.416 1.00 5.44 N ATOM 1183 CA LYS A 75 3.699 16.221 3.951 1.00 60.20 C ATOM 1184 C LYS A 75 3.806 17.714 3.752 1.00 54.41 C ATOM 1185 O LYS A 75 3.513 18.222 2.676 1.00 12.25 O ATOM 1186 CB LYS A 75 4.004 15.452 2.642 1.00 33.12 C ATOM 1187 CG LYS A 75 5.390 15.681 1.992 1.00 20.20 C ATOM 1188 CD LYS A 75 6.567 14.951 2.676 1.00 2.11 C ATOM 1189 CE LYS A 75 6.829 15.410 4.092 1.00 62.21 C ATOM 1190 NZ LYS A 75 8.088 14.873 4.616 1.00 60.14 N ATOM 0 H LYS A 75 1.659 16.534 3.969 1.00 5.44 H new ATOM 0 HA LYS A 75 4.435 15.882 4.680 1.00 60.20 H new ATOM 0 HB2 LYS A 75 3.898 14.386 2.844 1.00 33.12 H new ATOM 0 HB3 LYS A 75 3.240 15.715 1.910 1.00 33.12 H new ATOM 0 HG2 LYS A 75 5.342 15.363 0.951 1.00 20.20 H new ATOM 0 HG3 LYS A 75 5.600 16.751 1.989 1.00 20.20 H new ATOM 0 HD2 LYS A 75 6.364 13.880 2.683 1.00 2.11 H new ATOM 0 HD3 LYS A 75 7.469 15.100 2.083 1.00 2.11 H new ATOM 0 HE2 LYS A 75 6.859 16.499 4.121 1.00 62.21 H new ATOM 0 HE3 LYS A 75 6.006 15.096 4.734 1.00 62.21 H new ATOM 0 HZ1 LYS A 75 8.231 15.211 5.589 1.00 60.14 H new ATOM 0 HZ2 LYS A 75 8.050 13.834 4.612 1.00 60.14 H new ATOM 0 HZ3 LYS A 75 8.877 15.193 4.019 1.00 60.14 H new ATOM 1204 N GLU A 76 4.133 18.391 4.838 1.00 64.31 N ATOM 1205 CA GLU A 76 4.201 19.846 4.953 1.00 11.11 C ATOM 1206 C GLU A 76 3.178 20.606 4.086 1.00 33.31 C ATOM 1207 O GLU A 76 3.501 21.199 3.045 1.00 64.24 O ATOM 1208 CB GLU A 76 5.633 20.400 4.867 1.00 31.41 C ATOM 1209 CG GLU A 76 6.398 20.070 3.604 1.00 21.51 C ATOM 1210 CD GLU A 76 7.768 20.685 3.608 1.00 2.23 C ATOM 1211 OE1 GLU A 76 7.918 21.829 4.097 1.00 12.24 O ATOM 1212 OE2 GLU A 76 8.732 20.046 3.107 1.00 75.23 O ATOM 0 H GLU A 76 4.372 17.921 5.711 1.00 64.31 H new ATOM 0 HA GLU A 76 3.878 20.054 5.973 1.00 11.11 H new ATOM 0 HB2 GLU A 76 5.588 21.484 4.968 1.00 31.41 H new ATOM 0 HB3 GLU A 76 6.199 20.024 5.719 1.00 31.41 H new ATOM 0 HG2 GLU A 76 6.485 18.988 3.503 1.00 21.51 H new ATOM 0 HG3 GLU A 76 5.841 20.427 2.738 1.00 21.51 H new ATOM 1219 N GLY A 77 1.930 20.488 4.469 1.00 22.25 N ATOM 1220 CA GLY A 77 0.860 21.147 3.766 1.00 4.54 C ATOM 1221 C GLY A 77 0.180 20.239 2.756 1.00 34.41 C ATOM 1222 O GLY A 77 -0.981 20.457 2.403 1.00 52.22 O ATOM 0 H GLY A 77 1.630 19.936 5.272 1.00 22.25 H new ATOM 0 HA2 GLY A 77 0.122 21.502 4.485 1.00 4.54 H new ATOM 0 HA3 GLY A 77 1.253 22.025 3.253 1.00 4.54 H new ATOM 1226 N LYS A 78 0.880 19.213 2.300 1.00 74.21 N ATOM 1227 CA LYS A 78 0.310 18.272 1.351 1.00 73.31 C ATOM 1228 C LYS A 78 -0.413 17.255 2.163 1.00 52.41 C ATOM 1229 O LYS A 78 0.178 16.655 3.033 1.00 43.11 O ATOM 1230 CB LYS A 78 1.378 17.552 0.487 1.00 45.24 C ATOM 1231 CG LYS A 78 2.065 18.310 -0.689 1.00 43.43 C ATOM 1232 CD LYS A 78 2.987 19.464 -0.288 1.00 23.35 C ATOM 1233 CE LYS A 78 2.229 20.744 -0.052 1.00 21.42 C ATOM 1234 NZ LYS A 78 3.121 21.843 0.348 1.00 32.51 N ATOM 0 H LYS A 78 1.842 19.011 2.571 1.00 74.21 H new ATOM 0 HA LYS A 78 -0.334 18.812 0.657 1.00 73.31 H new ATOM 0 HB2 LYS A 78 2.166 17.214 1.160 1.00 45.24 H new ATOM 0 HB3 LYS A 78 0.911 16.660 0.070 1.00 45.24 H new ATOM 0 HG2 LYS A 78 2.644 17.592 -1.270 1.00 43.43 H new ATOM 0 HG3 LYS A 78 1.289 18.701 -1.347 1.00 43.43 H new ATOM 0 HD2 LYS A 78 3.531 19.194 0.617 1.00 23.35 H new ATOM 0 HD3 LYS A 78 3.729 19.622 -1.071 1.00 23.35 H new ATOM 0 HE2 LYS A 78 1.695 21.022 -0.960 1.00 21.42 H new ATOM 0 HE3 LYS A 78 1.479 20.584 0.723 1.00 21.42 H new ATOM 0 HZ1 LYS A 78 2.603 22.744 0.304 1.00 32.51 H new ATOM 0 HZ2 LYS A 78 3.455 21.683 1.320 1.00 32.51 H new ATOM 0 HZ3 LYS A 78 3.936 21.880 -0.297 1.00 32.51 H new ATOM 1248 N LYS A 79 -1.657 17.058 1.911 1.00 43.43 N ATOM 1249 CA LYS A 79 -2.427 16.213 2.751 1.00 3.41 C ATOM 1250 C LYS A 79 -3.240 15.221 1.953 1.00 31.51 C ATOM 1251 O LYS A 79 -3.674 15.508 0.821 1.00 25.35 O ATOM 1252 CB LYS A 79 -3.303 17.084 3.641 1.00 4.21 C ATOM 1253 CG LYS A 79 -4.133 18.122 2.890 1.00 14.33 C ATOM 1254 CD LYS A 79 -4.777 19.147 3.831 1.00 51.42 C ATOM 1255 CE LYS A 79 -3.802 20.242 4.308 1.00 45.42 C ATOM 1256 NZ LYS A 79 -2.660 19.746 5.103 1.00 71.42 N ATOM 0 H LYS A 79 -2.165 17.471 1.129 1.00 43.43 H new ATOM 0 HA LYS A 79 -1.762 15.617 3.376 1.00 3.41 H new ATOM 0 HB2 LYS A 79 -3.976 16.441 4.209 1.00 4.21 H new ATOM 0 HB3 LYS A 79 -2.668 17.598 4.363 1.00 4.21 H new ATOM 0 HG2 LYS A 79 -3.498 18.641 2.172 1.00 14.33 H new ATOM 0 HG3 LYS A 79 -4.912 17.617 2.320 1.00 14.33 H new ATOM 0 HD2 LYS A 79 -5.618 19.617 3.322 1.00 51.42 H new ATOM 0 HD3 LYS A 79 -5.180 18.627 4.700 1.00 51.42 H new ATOM 0 HE2 LYS A 79 -3.418 20.772 3.437 1.00 45.42 H new ATOM 0 HE3 LYS A 79 -4.355 20.967 4.905 1.00 45.42 H new ATOM 0 HZ1 LYS A 79 -2.267 20.525 5.670 1.00 71.42 H new ATOM 0 HZ2 LYS A 79 -2.981 18.985 5.735 1.00 71.42 H new ATOM 0 HZ3 LYS A 79 -1.926 19.378 4.464 1.00 71.42 H new ATOM 1270 N GLY A 80 -3.409 14.062 2.518 1.00 61.11 N ATOM 1271 CA GLY A 80 -4.172 13.016 1.904 1.00 41.22 C ATOM 1272 C GLY A 80 -4.570 11.976 2.907 1.00 73.05 C ATOM 1273 O GLY A 80 -4.214 12.064 4.075 1.00 62.02 O ATOM 0 H GLY A 80 -3.017 13.814 3.427 1.00 61.11 H new ATOM 0 HA2 GLY A 80 -5.064 13.437 1.439 1.00 41.22 H new ATOM 0 HA3 GLY A 80 -3.587 12.554 1.109 1.00 41.22 H new ATOM 1277 N ILE A 81 -5.318 11.024 2.475 1.00 4.51 N ATOM 1278 CA ILE A 81 -5.744 9.940 3.309 1.00 20.24 C ATOM 1279 C ILE A 81 -5.418 8.639 2.545 1.00 44.35 C ATOM 1280 O ILE A 81 -5.540 8.587 1.322 1.00 52.33 O ATOM 1281 CB ILE A 81 -7.286 10.073 3.624 1.00 73.42 C ATOM 1282 CG1 ILE A 81 -7.747 9.142 4.736 1.00 0.23 C ATOM 1283 CG2 ILE A 81 -8.167 9.921 2.399 1.00 73.24 C ATOM 1284 CD1 ILE A 81 -7.264 9.546 6.103 1.00 64.13 C ATOM 0 H ILE A 81 -5.661 10.969 1.516 1.00 4.51 H new ATOM 0 HA ILE A 81 -5.231 9.942 4.271 1.00 20.24 H new ATOM 0 HB ILE A 81 -7.405 11.097 3.979 1.00 73.42 H new ATOM 0 HG12 ILE A 81 -8.836 9.108 4.741 1.00 0.23 H new ATOM 0 HG13 ILE A 81 -7.397 8.132 4.521 1.00 0.23 H new ATOM 0 HG21 ILE A 81 -9.213 10.023 2.688 1.00 73.24 H new ATOM 0 HG22 ILE A 81 -7.914 10.692 1.671 1.00 73.24 H new ATOM 0 HG23 ILE A 81 -8.008 8.938 1.956 1.00 73.24 H new ATOM 0 HD11 ILE A 81 -7.632 8.836 6.844 1.00 64.13 H new ATOM 0 HD12 ILE A 81 -6.174 9.552 6.117 1.00 64.13 H new ATOM 0 HD13 ILE A 81 -7.636 10.543 6.340 1.00 64.13 H new ATOM 1296 N VAL A 82 -4.916 7.652 3.217 1.00 63.24 N ATOM 1297 CA VAL A 82 -4.543 6.414 2.563 1.00 10.05 C ATOM 1298 C VAL A 82 -5.229 5.244 3.235 1.00 32.35 C ATOM 1299 O VAL A 82 -4.943 4.909 4.378 1.00 52.21 O ATOM 1300 CB VAL A 82 -3.000 6.196 2.548 1.00 35.42 C ATOM 1301 CG1 VAL A 82 -2.639 4.911 1.825 1.00 41.32 C ATOM 1302 CG2 VAL A 82 -2.289 7.373 1.896 1.00 5.30 C ATOM 0 H VAL A 82 -4.750 7.669 4.223 1.00 63.24 H new ATOM 0 HA VAL A 82 -4.870 6.482 1.526 1.00 10.05 H new ATOM 0 HB VAL A 82 -2.670 6.119 3.584 1.00 35.42 H new ATOM 0 HG11 VAL A 82 -1.557 4.783 1.829 1.00 41.32 H new ATOM 0 HG12 VAL A 82 -3.106 4.066 2.330 1.00 41.32 H new ATOM 0 HG13 VAL A 82 -2.995 4.960 0.796 1.00 41.32 H new ATOM 0 HG21 VAL A 82 -1.214 7.195 1.899 1.00 5.30 H new ATOM 0 HG22 VAL A 82 -2.636 7.484 0.869 1.00 5.30 H new ATOM 0 HG23 VAL A 82 -2.507 8.284 2.453 1.00 5.30 H new ATOM 1312 N HIS A 83 -6.146 4.670 2.540 1.00 52.04 N ATOM 1313 CA HIS A 83 -6.925 3.559 3.007 1.00 32.44 C ATOM 1314 C HIS A 83 -6.338 2.251 2.503 1.00 31.04 C ATOM 1315 O HIS A 83 -6.421 1.945 1.322 1.00 62.32 O ATOM 1316 CB HIS A 83 -8.353 3.736 2.491 1.00 22.54 C ATOM 1317 CG HIS A 83 -8.981 4.971 3.036 1.00 3.14 C ATOM 1318 ND1 HIS A 83 -9.636 5.937 2.302 1.00 73.14 N ATOM 1319 CD2 HIS A 83 -9.054 5.359 4.303 1.00 30.43 C ATOM 1320 CE1 HIS A 83 -10.082 6.849 3.159 1.00 0.03 C ATOM 1321 NE2 HIS A 83 -9.756 6.539 4.399 1.00 11.55 N ATOM 0 H HIS A 83 -6.390 4.966 1.595 1.00 52.04 H new ATOM 0 HA HIS A 83 -6.919 3.527 4.097 1.00 32.44 H new ATOM 0 HB2 HIS A 83 -8.344 3.781 1.402 1.00 22.54 H new ATOM 0 HB3 HIS A 83 -8.952 2.869 2.769 1.00 22.54 H new ATOM 0 HD1 HIS A 83 -9.756 5.949 1.289 1.00 73.14 H new ATOM 0 HD2 HIS A 83 -8.625 4.826 5.138 1.00 30.43 H new ATOM 0 HE1 HIS A 83 -10.639 7.730 2.877 1.00 0.03 H new ATOM 1329 N VAL A 84 -5.709 1.517 3.378 1.00 72.15 N ATOM 1330 CA VAL A 84 -5.115 0.241 3.011 1.00 33.54 C ATOM 1331 C VAL A 84 -5.955 -0.883 3.594 1.00 61.05 C ATOM 1332 O VAL A 84 -6.063 -1.007 4.814 1.00 60.33 O ATOM 1333 CB VAL A 84 -3.671 0.095 3.574 1.00 34.34 C ATOM 1334 CG1 VAL A 84 -2.995 -1.162 3.045 1.00 11.24 C ATOM 1335 CG2 VAL A 84 -2.826 1.327 3.300 1.00 43.54 C ATOM 0 H VAL A 84 -5.589 1.774 4.358 1.00 72.15 H new ATOM 0 HA VAL A 84 -5.078 0.193 1.923 1.00 33.54 H new ATOM 0 HB VAL A 84 -3.760 -0.001 4.656 1.00 34.34 H new ATOM 0 HG11 VAL A 84 -1.988 -1.235 3.457 1.00 11.24 H new ATOM 0 HG12 VAL A 84 -3.572 -2.038 3.341 1.00 11.24 H new ATOM 0 HG13 VAL A 84 -2.939 -1.115 1.957 1.00 11.24 H new ATOM 0 HG21 VAL A 84 -1.827 1.181 3.710 1.00 43.54 H new ATOM 0 HG22 VAL A 84 -2.757 1.489 2.224 1.00 43.54 H new ATOM 0 HG23 VAL A 84 -3.287 2.196 3.769 1.00 43.54 H new ATOM 1345 N LYS A 85 -6.554 -1.679 2.757 1.00 4.52 N ATOM 1346 CA LYS A 85 -7.323 -2.800 3.231 1.00 35.51 C ATOM 1347 C LYS A 85 -6.611 -4.101 2.879 1.00 54.03 C ATOM 1348 O LYS A 85 -6.027 -4.228 1.795 1.00 70.14 O ATOM 1349 CB LYS A 85 -8.764 -2.807 2.674 1.00 51.21 C ATOM 1350 CG LYS A 85 -8.864 -2.899 1.156 1.00 64.54 C ATOM 1351 CD LYS A 85 -10.286 -3.205 0.689 1.00 21.42 C ATOM 1352 CE LYS A 85 -11.286 -2.126 1.078 1.00 54.32 C ATOM 1353 NZ LYS A 85 -12.666 -2.544 0.767 1.00 31.02 N ATOM 0 H LYS A 85 -6.527 -1.576 1.743 1.00 4.52 H new ATOM 0 HA LYS A 85 -7.404 -2.707 4.314 1.00 35.51 H new ATOM 0 HB2 LYS A 85 -9.303 -3.648 3.111 1.00 51.21 H new ATOM 0 HB3 LYS A 85 -9.270 -1.899 3.003 1.00 51.21 H new ATOM 0 HG2 LYS A 85 -8.533 -1.959 0.714 1.00 64.54 H new ATOM 0 HG3 LYS A 85 -8.190 -3.676 0.796 1.00 64.54 H new ATOM 0 HD2 LYS A 85 -10.289 -3.322 -0.395 1.00 21.42 H new ATOM 0 HD3 LYS A 85 -10.604 -4.157 1.113 1.00 21.42 H new ATOM 0 HE2 LYS A 85 -11.199 -1.912 2.143 1.00 54.32 H new ATOM 0 HE3 LYS A 85 -11.054 -1.203 0.547 1.00 54.32 H new ATOM 0 HZ1 LYS A 85 -13.334 -1.836 1.134 1.00 31.02 H new ATOM 0 HZ2 LYS A 85 -12.780 -2.627 -0.263 1.00 31.02 H new ATOM 0 HZ3 LYS A 85 -12.858 -3.464 1.211 1.00 31.02 H new ATOM 1367 N LEU A 86 -6.635 -5.044 3.780 1.00 21.21 N ATOM 1368 CA LEU A 86 -6.030 -6.321 3.530 1.00 45.34 C ATOM 1369 C LEU A 86 -7.168 -7.270 3.348 1.00 72.43 C ATOM 1370 O LEU A 86 -7.876 -7.577 4.308 1.00 11.45 O ATOM 1371 CB LEU A 86 -5.170 -6.789 4.723 1.00 24.22 C ATOM 1372 CG LEU A 86 -4.111 -5.816 5.252 1.00 45.43 C ATOM 1373 CD1 LEU A 86 -3.298 -6.470 6.354 1.00 62.15 C ATOM 1374 CD2 LEU A 86 -3.202 -5.335 4.147 1.00 32.23 C ATOM 0 H LEU A 86 -7.070 -4.950 4.698 1.00 21.21 H new ATOM 0 HA LEU A 86 -5.372 -6.269 2.663 1.00 45.34 H new ATOM 0 HB2 LEU A 86 -5.841 -7.037 5.546 1.00 24.22 H new ATOM 0 HB3 LEU A 86 -4.666 -7.711 4.434 1.00 24.22 H new ATOM 0 HG LEU A 86 -4.630 -4.948 5.660 1.00 45.43 H new ATOM 0 HD11 LEU A 86 -2.550 -5.767 6.720 1.00 62.15 H new ATOM 0 HD12 LEU A 86 -3.958 -6.756 7.173 1.00 62.15 H new ATOM 0 HD13 LEU A 86 -2.801 -7.357 5.962 1.00 62.15 H new ATOM 0 HD21 LEU A 86 -2.463 -4.647 4.557 1.00 32.23 H new ATOM 0 HD22 LEU A 86 -2.693 -6.188 3.697 1.00 32.23 H new ATOM 0 HD23 LEU A 86 -3.792 -4.823 3.387 1.00 32.23 H new ATOM 1386 N ARG A 87 -7.380 -7.692 2.161 1.00 11.31 N ATOM 1387 CA ARG A 87 -8.498 -8.519 1.857 1.00 1.44 C ATOM 1388 C ARG A 87 -8.057 -9.948 1.836 1.00 32.32 C ATOM 1389 O ARG A 87 -7.021 -10.269 1.277 1.00 72.44 O ATOM 1390 CB ARG A 87 -9.086 -8.080 0.529 1.00 14.31 C ATOM 1391 CG ARG A 87 -10.362 -8.774 0.107 1.00 1.20 C ATOM 1392 CD ARG A 87 -10.940 -8.031 -1.070 1.00 21.51 C ATOM 1393 NE ARG A 87 -12.211 -8.566 -1.555 1.00 70.31 N ATOM 1394 CZ ARG A 87 -13.408 -8.028 -1.283 1.00 22.44 C ATOM 1395 NH1 ARG A 87 -13.564 -7.181 -0.250 1.00 3.34 N ATOM 1396 NH2 ARG A 87 -14.455 -8.369 -2.018 1.00 30.42 N ATOM 0 H ARG A 87 -6.783 -7.476 1.362 1.00 11.31 H new ATOM 0 HA ARG A 87 -9.275 -8.423 2.615 1.00 1.44 H new ATOM 0 HB2 ARG A 87 -9.277 -7.008 0.576 1.00 14.31 H new ATOM 0 HB3 ARG A 87 -8.337 -8.237 -0.247 1.00 14.31 H new ATOM 0 HG2 ARG A 87 -10.159 -9.811 -0.161 1.00 1.20 H new ATOM 0 HG3 ARG A 87 -11.075 -8.792 0.932 1.00 1.20 H new ATOM 0 HD2 ARG A 87 -11.082 -6.987 -0.791 1.00 21.51 H new ATOM 0 HD3 ARG A 87 -10.217 -8.048 -1.886 1.00 21.51 H new ATOM 0 HE ARG A 87 -12.185 -9.403 -2.138 1.00 70.31 H new ATOM 0 HH11 ARG A 87 -12.766 -6.941 0.338 1.00 3.34 H new ATOM 0 HH12 ARG A 87 -14.481 -6.779 -0.054 1.00 3.34 H new ATOM 0 HH21 ARG A 87 -14.346 -9.035 -2.783 1.00 30.42 H new ATOM 0 HH22 ARG A 87 -15.371 -7.966 -1.820 1.00 30.42 H new ATOM 1410 N LYS A 88 -8.799 -10.791 2.476 1.00 32.34 N ATOM 1411 CA LYS A 88 -8.447 -12.168 2.536 1.00 62.02 C ATOM 1412 C LYS A 88 -8.855 -12.825 1.229 1.00 72.30 C ATOM 1413 O LYS A 88 -10.040 -12.894 0.916 1.00 31.25 O ATOM 1414 CB LYS A 88 -9.162 -12.833 3.712 1.00 64.53 C ATOM 1415 CG LYS A 88 -8.711 -14.248 3.974 1.00 32.43 C ATOM 1416 CD LYS A 88 -9.479 -14.911 5.110 1.00 41.15 C ATOM 1417 CE LYS A 88 -10.941 -15.127 4.757 1.00 4.43 C ATOM 1418 NZ LYS A 88 -11.653 -15.870 5.809 1.00 32.10 N ATOM 0 H LYS A 88 -9.659 -10.546 2.967 1.00 32.34 H new ATOM 0 HA LYS A 88 -7.372 -12.278 2.682 1.00 62.02 H new ATOM 0 HB2 LYS A 88 -8.998 -12.237 4.610 1.00 64.53 H new ATOM 0 HB3 LYS A 88 -10.235 -12.833 3.521 1.00 64.53 H new ATOM 0 HG2 LYS A 88 -8.834 -14.838 3.066 1.00 32.43 H new ATOM 0 HG3 LYS A 88 -7.647 -14.247 4.212 1.00 32.43 H new ATOM 0 HD2 LYS A 88 -9.018 -15.869 5.349 1.00 41.15 H new ATOM 0 HD3 LYS A 88 -9.409 -14.292 6.005 1.00 41.15 H new ATOM 0 HE2 LYS A 88 -11.424 -14.162 4.603 1.00 4.43 H new ATOM 0 HE3 LYS A 88 -11.011 -15.672 3.816 1.00 4.43 H new ATOM 0 HZ1 LYS A 88 -12.647 -15.997 5.532 1.00 32.10 H new ATOM 0 HZ2 LYS A 88 -11.208 -16.801 5.939 1.00 32.10 H new ATOM 0 HZ3 LYS A 88 -11.608 -15.337 6.701 1.00 32.10 H new ATOM 1432 N ILE A 89 -7.902 -13.255 0.441 1.00 30.31 N ATOM 1433 CA ILE A 89 -8.251 -13.916 -0.771 1.00 51.22 C ATOM 1434 C ILE A 89 -8.346 -15.402 -0.512 1.00 41.04 C ATOM 1435 O ILE A 89 -7.368 -16.081 -0.215 1.00 5.30 O ATOM 1436 CB ILE A 89 -7.322 -13.575 -1.995 1.00 55.01 C ATOM 1437 CG1 ILE A 89 -7.739 -14.393 -3.239 1.00 74.31 C ATOM 1438 CG2 ILE A 89 -5.842 -13.756 -1.680 1.00 41.31 C ATOM 1439 CD1 ILE A 89 -6.901 -14.133 -4.476 1.00 53.22 C ATOM 0 H ILE A 89 -6.902 -13.158 0.619 1.00 30.31 H new ATOM 0 HA ILE A 89 -9.224 -13.535 -1.080 1.00 51.22 H new ATOM 0 HB ILE A 89 -7.458 -12.516 -2.215 1.00 55.01 H new ATOM 0 HG12 ILE A 89 -7.684 -15.454 -2.995 1.00 74.31 H new ATOM 0 HG13 ILE A 89 -8.781 -14.173 -3.470 1.00 74.31 H new ATOM 0 HG21 ILE A 89 -5.250 -13.507 -2.560 1.00 41.31 H new ATOM 0 HG22 ILE A 89 -5.562 -13.099 -0.856 1.00 41.31 H new ATOM 0 HG23 ILE A 89 -5.654 -14.792 -1.398 1.00 41.31 H new ATOM 0 HD11 ILE A 89 -7.265 -14.749 -5.298 1.00 53.22 H new ATOM 0 HD12 ILE A 89 -6.975 -13.081 -4.751 1.00 53.22 H new ATOM 0 HD13 ILE A 89 -5.860 -14.382 -4.269 1.00 53.22 H new ATOM 1451 N THR A 90 -9.527 -15.879 -0.586 1.00 25.42 N ATOM 1452 CA THR A 90 -9.830 -17.234 -0.351 1.00 44.13 C ATOM 1453 C THR A 90 -10.741 -17.643 -1.496 1.00 53.54 C ATOM 1454 O THR A 90 -11.165 -16.775 -2.263 1.00 21.33 O ATOM 1455 CB THR A 90 -10.558 -17.379 1.025 1.00 21.10 C ATOM 1456 OG1 THR A 90 -9.826 -16.665 2.022 1.00 52.41 O ATOM 1457 CG2 THR A 90 -10.659 -18.836 1.469 1.00 4.31 C ATOM 0 H THR A 90 -10.342 -15.313 -0.822 1.00 25.42 H new ATOM 0 HA THR A 90 -8.940 -17.862 -0.309 1.00 44.13 H new ATOM 0 HB THR A 90 -11.565 -16.980 0.905 1.00 21.10 H new ATOM 0 HG1 THR A 90 -8.918 -17.029 2.085 1.00 52.41 H new ATOM 0 HG21 THR A 90 -11.172 -18.889 2.429 1.00 4.31 H new ATOM 0 HG22 THR A 90 -11.219 -19.405 0.727 1.00 4.31 H new ATOM 0 HG23 THR A 90 -9.658 -19.256 1.568 1.00 4.31 H new ATOM 1465 N GLU A 91 -11.072 -18.910 -1.623 1.00 31.14 N ATOM 1466 CA GLU A 91 -11.946 -19.348 -2.713 1.00 70.14 C ATOM 1467 C GLU A 91 -13.336 -18.734 -2.563 1.00 22.13 C ATOM 1468 O GLU A 91 -14.075 -18.598 -3.512 1.00 33.31 O ATOM 1469 CB GLU A 91 -12.043 -20.870 -2.771 1.00 32.51 C ATOM 1470 CG GLU A 91 -10.709 -21.594 -2.643 1.00 12.52 C ATOM 1471 CD GLU A 91 -9.659 -21.115 -3.613 1.00 23.11 C ATOM 1472 OE1 GLU A 91 -9.632 -21.586 -4.767 1.00 50.21 O ATOM 1473 OE2 GLU A 91 -8.815 -20.278 -3.221 1.00 50.33 O ATOM 0 H GLU A 91 -10.759 -19.654 -0.999 1.00 31.14 H new ATOM 0 HA GLU A 91 -11.507 -19.004 -3.649 1.00 70.14 H new ATOM 0 HB2 GLU A 91 -12.704 -21.210 -1.974 1.00 32.51 H new ATOM 0 HB3 GLU A 91 -12.508 -21.156 -3.714 1.00 32.51 H new ATOM 0 HG2 GLU A 91 -10.335 -21.469 -1.627 1.00 12.52 H new ATOM 0 HG3 GLU A 91 -10.870 -22.661 -2.795 1.00 12.52 H new ATOM 1480 N ASN A 92 -13.631 -18.326 -1.364 1.00 5.43 N ATOM 1481 CA ASN A 92 -14.916 -17.723 -1.024 1.00 62.10 C ATOM 1482 C ASN A 92 -14.858 -16.198 -1.096 1.00 30.24 C ATOM 1483 O ASN A 92 -15.885 -15.527 -0.978 1.00 52.43 O ATOM 1484 CB ASN A 92 -15.373 -18.147 0.387 1.00 44.30 C ATOM 1485 CG ASN A 92 -15.744 -19.621 0.513 1.00 51.34 C ATOM 1486 OD1 ASN A 92 -15.222 -20.483 -0.200 1.00 74.34 O ATOM 1487 ND2 ASN A 92 -16.623 -19.921 1.428 1.00 5.44 N ATOM 0 H ASN A 92 -12.988 -18.397 -0.575 1.00 5.43 H new ATOM 0 HA ASN A 92 -15.636 -18.082 -1.759 1.00 62.10 H new ATOM 0 HB2 ASN A 92 -14.576 -17.924 1.096 1.00 44.30 H new ATOM 0 HB3 ASN A 92 -16.233 -17.543 0.674 1.00 44.30 H new ATOM 0 HD21 ASN A 92 -16.898 -20.893 1.572 1.00 5.44 H new ATOM 0 HD22 ASN A 92 -17.035 -19.184 2.000 1.00 5.44 H new ATOM 1494 N CYS A 93 -13.686 -15.648 -1.323 1.00 73.02 N ATOM 1495 CA CYS A 93 -13.527 -14.212 -1.317 1.00 61.11 C ATOM 1496 C CYS A 93 -12.728 -13.746 -2.524 1.00 65.32 C ATOM 1497 O CYS A 93 -11.525 -14.016 -2.619 1.00 20.23 O ATOM 1498 CB CYS A 93 -12.849 -13.734 -0.034 1.00 43.35 C ATOM 1499 SG CYS A 93 -13.710 -14.166 1.511 1.00 30.34 S ATOM 0 H CYS A 93 -12.832 -16.172 -1.513 1.00 73.02 H new ATOM 0 HA CYS A 93 -14.525 -13.777 -1.366 1.00 61.11 H new ATOM 0 HB2 CYS A 93 -11.842 -14.151 0.002 1.00 43.35 H new ATOM 0 HB3 CYS A 93 -12.744 -12.650 -0.081 1.00 43.35 H new ATOM 1504 N PRO A 94 -13.383 -13.075 -3.475 1.00 52.54 N ATOM 1505 CA PRO A 94 -12.716 -12.564 -4.658 1.00 51.32 C ATOM 1506 C PRO A 94 -11.862 -11.323 -4.358 1.00 53.42 C ATOM 1507 O PRO A 94 -12.255 -10.460 -3.552 1.00 45.42 O ATOM 1508 CB PRO A 94 -13.866 -12.219 -5.608 1.00 3.45 C ATOM 1509 CG PRO A 94 -15.042 -11.970 -4.727 1.00 11.54 C ATOM 1510 CD PRO A 94 -14.830 -12.776 -3.475 1.00 14.03 C ATOM 0 HA PRO A 94 -12.018 -13.290 -5.074 1.00 51.32 H new ATOM 0 HB2 PRO A 94 -13.631 -11.340 -6.208 1.00 3.45 H new ATOM 0 HB3 PRO A 94 -14.061 -13.036 -6.303 1.00 3.45 H new ATOM 0 HG2 PRO A 94 -15.131 -10.909 -4.493 1.00 11.54 H new ATOM 0 HG3 PRO A 94 -15.966 -12.265 -5.224 1.00 11.54 H new ATOM 0 HD2 PRO A 94 -15.120 -12.215 -2.587 1.00 14.03 H new ATOM 0 HD3 PRO A 94 -15.425 -13.689 -3.484 1.00 14.03 H new ATOM 1518 N PRO A 95 -10.664 -11.247 -4.954 1.00 13.20 N ATOM 1519 CA PRO A 95 -9.778 -10.090 -4.836 1.00 13.42 C ATOM 1520 C PRO A 95 -10.345 -8.882 -5.586 1.00 20.54 C ATOM 1521 O PRO A 95 -11.279 -9.017 -6.401 1.00 51.34 O ATOM 1522 CB PRO A 95 -8.491 -10.562 -5.503 1.00 44.14 C ATOM 1523 CG PRO A 95 -8.930 -11.602 -6.459 1.00 11.35 C ATOM 1524 CD PRO A 95 -10.056 -12.306 -5.782 1.00 23.42 C ATOM 0 HA PRO A 95 -9.643 -9.770 -3.803 1.00 13.42 H new ATOM 0 HB2 PRO A 95 -7.984 -9.743 -6.013 1.00 44.14 H new ATOM 0 HB3 PRO A 95 -7.790 -10.965 -4.772 1.00 44.14 H new ATOM 0 HG2 PRO A 95 -9.252 -11.159 -7.402 1.00 11.35 H new ATOM 0 HG3 PRO A 95 -8.118 -12.291 -6.692 1.00 11.35 H new ATOM 0 HD2 PRO A 95 -10.767 -12.714 -6.501 1.00 23.42 H new ATOM 0 HD3 PRO A 95 -9.703 -13.140 -5.175 1.00 23.42 H new ATOM 1532 N VAL A 96 -9.824 -7.724 -5.311 1.00 4.11 N ATOM 1533 CA VAL A 96 -10.316 -6.523 -5.960 1.00 23.03 C ATOM 1534 C VAL A 96 -9.457 -6.235 -7.189 1.00 21.44 C ATOM 1535 O VAL A 96 -8.290 -6.671 -7.279 1.00 20.43 O ATOM 1536 CB VAL A 96 -10.313 -5.285 -5.000 1.00 72.31 C ATOM 1537 CG1 VAL A 96 -10.985 -4.056 -5.620 1.00 41.42 C ATOM 1538 CG2 VAL A 96 -10.953 -5.616 -3.668 1.00 72.55 C ATOM 0 H VAL A 96 -9.063 -7.574 -4.648 1.00 4.11 H new ATOM 0 HA VAL A 96 -11.352 -6.696 -6.252 1.00 23.03 H new ATOM 0 HB VAL A 96 -9.265 -5.034 -4.833 1.00 72.31 H new ATOM 0 HG11 VAL A 96 -10.954 -3.228 -4.911 1.00 41.42 H new ATOM 0 HG12 VAL A 96 -10.457 -3.774 -6.531 1.00 41.42 H new ATOM 0 HG13 VAL A 96 -12.022 -4.290 -5.859 1.00 41.42 H new ATOM 0 HG21 VAL A 96 -10.934 -4.735 -3.026 1.00 72.55 H new ATOM 0 HG22 VAL A 96 -11.986 -5.927 -3.828 1.00 72.55 H new ATOM 0 HG23 VAL A 96 -10.401 -6.425 -3.190 1.00 72.55 H new ATOM 1548 N ASP A 97 -10.026 -5.535 -8.114 1.00 61.13 N ATOM 1549 CA ASP A 97 -9.357 -5.170 -9.331 1.00 52.20 C ATOM 1550 C ASP A 97 -9.004 -3.709 -9.279 1.00 70.21 C ATOM 1551 O ASP A 97 -9.876 -2.848 -9.074 1.00 4.12 O ATOM 1552 CB ASP A 97 -10.215 -5.461 -10.562 1.00 42.23 C ATOM 1553 CG ASP A 97 -9.502 -5.097 -11.853 1.00 44.11 C ATOM 1554 OD1 ASP A 97 -8.496 -5.761 -12.200 1.00 2.00 O ATOM 1555 OD2 ASP A 97 -9.924 -4.133 -12.534 1.00 64.33 O ATOM 0 H ASP A 97 -10.985 -5.192 -8.050 1.00 61.13 H new ATOM 0 HA ASP A 97 -8.452 -5.771 -9.419 1.00 52.20 H new ATOM 0 HB2 ASP A 97 -10.477 -6.519 -10.579 1.00 42.23 H new ATOM 0 HB3 ASP A 97 -11.148 -4.902 -10.494 1.00 42.23 H new ATOM 1560 N GLY A 98 -7.752 -3.429 -9.411 1.00 31.21 N ATOM 1561 CA GLY A 98 -7.288 -2.090 -9.364 1.00 34.14 C ATOM 1562 C GLY A 98 -5.986 -1.980 -10.034 1.00 30.33 C ATOM 1563 O GLY A 98 -5.620 -2.838 -10.839 1.00 54.00 O ATOM 0 H GLY A 98 -7.022 -4.126 -9.555 1.00 31.21 H new ATOM 0 HA2 GLY A 98 -8.010 -1.430 -9.846 1.00 34.14 H new ATOM 0 HA3 GLY A 98 -7.200 -1.764 -8.328 1.00 34.14 H new ATOM 1567 N ASN A 99 -5.282 -0.957 -9.722 1.00 42.05 N ATOM 1568 CA ASN A 99 -3.980 -0.731 -10.292 1.00 54.25 C ATOM 1569 C ASN A 99 -2.945 -1.626 -9.667 1.00 13.22 C ATOM 1570 O ASN A 99 -2.416 -1.353 -8.589 1.00 14.42 O ATOM 1571 CB ASN A 99 -3.574 0.745 -10.246 1.00 20.45 C ATOM 1572 CG ASN A 99 -4.281 1.568 -11.309 1.00 15.34 C ATOM 1573 OD1 ASN A 99 -3.781 1.726 -12.425 1.00 22.04 O ATOM 1574 ND2 ASN A 99 -5.440 2.080 -10.991 1.00 33.32 N ATOM 0 H ASN A 99 -5.582 -0.240 -9.061 1.00 42.05 H new ATOM 0 HA ASN A 99 -4.041 -0.997 -11.347 1.00 54.25 H new ATOM 0 HB2 ASN A 99 -3.803 1.153 -9.261 1.00 20.45 H new ATOM 0 HB3 ASN A 99 -2.496 0.828 -10.382 1.00 20.45 H new ATOM 0 HD21 ASN A 99 -5.960 2.630 -11.675 1.00 33.32 H new ATOM 0 HD22 ASN A 99 -5.825 1.930 -10.059 1.00 33.32 H new ATOM 1581 N ARG A 100 -2.751 -2.741 -10.302 1.00 72.11 N ATOM 1582 CA ARG A 100 -1.774 -3.723 -9.918 1.00 31.35 C ATOM 1583 C ARG A 100 -0.407 -3.193 -10.288 1.00 71.33 C ATOM 1584 O ARG A 100 -0.169 -2.856 -11.446 1.00 60.14 O ATOM 1585 CB ARG A 100 -2.082 -5.008 -10.680 1.00 35.23 C ATOM 1586 CG ARG A 100 -1.165 -6.187 -10.426 1.00 34.14 C ATOM 1587 CD ARG A 100 -1.639 -7.360 -11.259 1.00 34.31 C ATOM 1588 NE ARG A 100 -0.814 -8.553 -11.112 1.00 3.00 N ATOM 1589 CZ ARG A 100 -1.218 -9.793 -11.413 1.00 62.13 C ATOM 1590 NH1 ARG A 100 -2.461 -10.004 -11.848 1.00 35.53 N ATOM 1591 NH2 ARG A 100 -0.382 -10.810 -11.285 1.00 33.31 N ATOM 0 H ARG A 100 -3.285 -3.005 -11.130 1.00 72.11 H new ATOM 0 HA ARG A 100 -1.798 -3.925 -8.847 1.00 31.35 H new ATOM 0 HB2 ARG A 100 -3.101 -5.311 -10.438 1.00 35.23 H new ATOM 0 HB3 ARG A 100 -2.061 -4.784 -11.747 1.00 35.23 H new ATOM 0 HG2 ARG A 100 -0.138 -5.930 -10.686 1.00 34.14 H new ATOM 0 HG3 ARG A 100 -1.170 -6.449 -9.368 1.00 34.14 H new ATOM 0 HD2 ARG A 100 -2.665 -7.601 -10.980 1.00 34.31 H new ATOM 0 HD3 ARG A 100 -1.654 -7.066 -12.309 1.00 34.31 H new ATOM 0 HE ARG A 100 0.135 -8.435 -10.756 1.00 3.00 H new ATOM 0 HH11 ARG A 100 -3.105 -9.220 -11.952 1.00 35.53 H new ATOM 0 HH12 ARG A 100 -2.768 -10.949 -12.077 1.00 35.53 H new ATOM 0 HH21 ARG A 100 0.570 -10.649 -10.957 1.00 33.31 H new ATOM 0 HH22 ARG A 100 -0.690 -11.755 -11.514 1.00 33.31 H new ATOM 1605 N CYS A 101 0.465 -3.074 -9.330 1.00 34.41 N ATOM 1606 CA CYS A 101 1.771 -2.537 -9.611 1.00 73.33 C ATOM 1607 C CYS A 101 2.715 -3.659 -10.012 1.00 12.52 C ATOM 1608 O CYS A 101 2.410 -4.835 -9.812 1.00 44.24 O ATOM 1609 CB CYS A 101 2.336 -1.748 -8.415 1.00 10.14 C ATOM 1610 SG CYS A 101 3.898 -0.854 -8.789 1.00 1.44 S ATOM 0 H CYS A 101 0.303 -3.337 -8.358 1.00 34.41 H new ATOM 0 HA CYS A 101 1.676 -1.836 -10.440 1.00 73.33 H new ATOM 0 HB2 CYS A 101 1.588 -1.029 -8.080 1.00 10.14 H new ATOM 0 HB3 CYS A 101 2.511 -2.436 -7.588 1.00 10.14 H new ATOM 1615 N SER A 102 3.820 -3.297 -10.603 1.00 20.22 N ATOM 1616 CA SER A 102 4.823 -4.222 -10.999 1.00 21.13 C ATOM 1617 C SER A 102 5.604 -4.695 -9.778 1.00 75.34 C ATOM 1618 O SER A 102 6.375 -3.935 -9.182 1.00 62.04 O ATOM 1619 CB SER A 102 5.730 -3.545 -12.006 1.00 52.32 C ATOM 1620 OG SER A 102 4.957 -3.085 -13.117 1.00 3.41 O ATOM 0 H SER A 102 4.045 -2.327 -10.824 1.00 20.22 H new ATOM 0 HA SER A 102 4.372 -5.100 -11.461 1.00 21.13 H new ATOM 0 HB2 SER A 102 6.247 -2.707 -11.539 1.00 52.32 H new ATOM 0 HB3 SER A 102 6.496 -4.242 -12.347 1.00 52.32 H new ATOM 0 HG SER A 102 5.546 -2.646 -13.766 1.00 3.41 H new ATOM 1626 N VAL A 103 5.371 -5.923 -9.400 1.00 55.01 N ATOM 1627 CA VAL A 103 5.991 -6.485 -8.245 1.00 62.53 C ATOM 1628 C VAL A 103 7.353 -7.034 -8.597 1.00 70.45 C ATOM 1629 O VAL A 103 7.540 -7.743 -9.597 1.00 24.32 O ATOM 1630 CB VAL A 103 5.159 -7.619 -7.627 1.00 13.32 C ATOM 1631 CG1 VAL A 103 5.780 -8.098 -6.325 1.00 11.54 C ATOM 1632 CG2 VAL A 103 3.699 -7.223 -7.436 1.00 52.13 C ATOM 0 H VAL A 103 4.742 -6.559 -9.891 1.00 55.01 H new ATOM 0 HA VAL A 103 6.076 -5.679 -7.516 1.00 62.53 H new ATOM 0 HB VAL A 103 5.168 -8.450 -8.332 1.00 13.32 H new ATOM 0 HG11 VAL A 103 5.173 -8.901 -5.906 1.00 11.54 H new ATOM 0 HG12 VAL A 103 6.788 -8.467 -6.517 1.00 11.54 H new ATOM 0 HG13 VAL A 103 5.825 -7.270 -5.617 1.00 11.54 H new ATOM 0 HG21 VAL A 103 3.151 -8.056 -6.997 1.00 52.13 H new ATOM 0 HG22 VAL A 103 3.640 -6.360 -6.773 1.00 52.13 H new ATOM 0 HG23 VAL A 103 3.261 -6.970 -8.402 1.00 52.13 H new ATOM 1642 N LEU A 104 8.249 -6.737 -7.749 1.00 71.11 N ATOM 1643 CA LEU A 104 9.633 -7.113 -7.795 1.00 22.45 C ATOM 1644 C LEU A 104 10.075 -7.127 -6.359 1.00 20.44 C ATOM 1645 O LEU A 104 9.198 -7.158 -5.475 1.00 12.24 O ATOM 1646 CB LEU A 104 10.459 -6.106 -8.637 1.00 65.23 C ATOM 1647 CG LEU A 104 10.210 -6.130 -10.160 1.00 4.13 C ATOM 1648 CD1 LEU A 104 11.000 -5.056 -10.854 1.00 14.23 C ATOM 1649 CD2 LEU A 104 10.580 -7.481 -10.740 1.00 73.10 C ATOM 0 H LEU A 104 8.033 -6.176 -6.925 1.00 71.11 H new ATOM 0 HA LEU A 104 9.781 -8.082 -8.273 1.00 22.45 H new ATOM 0 HB2 LEU A 104 10.251 -5.101 -8.271 1.00 65.23 H new ATOM 0 HB3 LEU A 104 11.517 -6.297 -8.459 1.00 65.23 H new ATOM 0 HG LEU A 104 9.148 -5.946 -10.323 1.00 4.13 H new ATOM 0 HD11 LEU A 104 10.805 -5.096 -11.926 1.00 14.23 H new ATOM 0 HD12 LEU A 104 10.705 -4.080 -10.468 1.00 14.23 H new ATOM 0 HD13 LEU A 104 12.063 -5.212 -10.672 1.00 14.23 H new ATOM 0 HD21 LEU A 104 10.397 -7.478 -11.815 1.00 73.10 H new ATOM 0 HD22 LEU A 104 11.635 -7.681 -10.552 1.00 73.10 H new ATOM 0 HD23 LEU A 104 9.974 -8.256 -10.271 1.00 73.10 H new ATOM 1661 N GLU A 105 11.376 -7.121 -6.099 1.00 72.03 N ATOM 1662 CA GLU A 105 11.868 -7.100 -4.729 1.00 11.05 C ATOM 1663 C GLU A 105 11.264 -5.929 -3.933 1.00 4.25 C ATOM 1664 O GLU A 105 11.016 -4.847 -4.500 1.00 75.22 O ATOM 1665 CB GLU A 105 13.405 -7.114 -4.687 1.00 14.43 C ATOM 1666 CG GLU A 105 13.975 -7.032 -3.282 1.00 63.41 C ATOM 1667 CD GLU A 105 15.439 -7.326 -3.206 1.00 53.31 C ATOM 1668 OE1 GLU A 105 16.253 -6.453 -3.544 1.00 43.32 O ATOM 1669 OE2 GLU A 105 15.796 -8.438 -2.769 1.00 71.52 O ATOM 0 H GLU A 105 12.104 -7.130 -6.813 1.00 72.03 H new ATOM 0 HA GLU A 105 11.534 -8.014 -4.237 1.00 11.05 H new ATOM 0 HB2 GLU A 105 13.765 -8.026 -5.164 1.00 14.43 H new ATOM 0 HB3 GLU A 105 13.784 -6.277 -5.273 1.00 14.43 H new ATOM 0 HG2 GLU A 105 13.793 -6.034 -2.884 1.00 63.41 H new ATOM 0 HG3 GLU A 105 13.440 -7.733 -2.641 1.00 63.41 H new ATOM 1676 N PHE A 106 11.046 -6.190 -2.629 1.00 2.54 N ATOM 1677 CA PHE A 106 10.363 -5.326 -1.641 1.00 62.34 C ATOM 1678 C PHE A 106 10.567 -3.842 -1.884 1.00 53.43 C ATOM 1679 O PHE A 106 9.602 -3.093 -1.917 1.00 15.43 O ATOM 1680 CB PHE A 106 10.839 -5.710 -0.221 1.00 42.54 C ATOM 1681 CG PHE A 106 10.018 -5.173 0.942 1.00 74.12 C ATOM 1682 CD1 PHE A 106 10.069 -3.830 1.330 1.00 1.31 C ATOM 1683 CD2 PHE A 106 9.225 -6.038 1.674 1.00 75.23 C ATOM 1684 CE1 PHE A 106 9.340 -3.380 2.412 1.00 52.45 C ATOM 1685 CE2 PHE A 106 8.494 -5.590 2.753 1.00 32.24 C ATOM 1686 CZ PHE A 106 8.552 -4.260 3.124 1.00 43.25 C ATOM 0 H PHE A 106 11.361 -7.065 -2.209 1.00 2.54 H new ATOM 0 HA PHE A 106 9.292 -5.498 -1.748 1.00 62.34 H new ATOM 0 HB2 PHE A 106 10.858 -6.798 -0.151 1.00 42.54 H new ATOM 0 HB3 PHE A 106 11.866 -5.365 -0.101 1.00 42.54 H new ATOM 0 HD1 PHE A 106 10.686 -3.137 0.777 1.00 1.31 H new ATOM 0 HD2 PHE A 106 9.178 -7.080 1.396 1.00 75.23 H new ATOM 0 HE1 PHE A 106 9.386 -2.340 2.701 1.00 52.45 H new ATOM 0 HE2 PHE A 106 7.875 -6.279 3.309 1.00 32.24 H new ATOM 0 HZ PHE A 106 7.981 -3.910 3.971 1.00 43.25 H new ATOM 1696 N GLU A 107 11.802 -3.437 -2.091 1.00 34.53 N ATOM 1697 CA GLU A 107 12.140 -2.034 -2.272 1.00 62.30 C ATOM 1698 C GLU A 107 11.379 -1.397 -3.441 1.00 0.15 C ATOM 1699 O GLU A 107 10.816 -0.339 -3.296 1.00 43.31 O ATOM 1700 CB GLU A 107 13.648 -1.816 -2.413 1.00 40.03 C ATOM 1701 CG GLU A 107 14.025 -0.345 -2.509 1.00 51.33 C ATOM 1702 CD GLU A 107 15.504 -0.112 -2.574 1.00 4.15 C ATOM 1703 OE1 GLU A 107 16.087 -0.234 -3.665 1.00 61.52 O ATOM 1704 OE2 GLU A 107 16.116 0.206 -1.531 1.00 1.40 O ATOM 0 H GLU A 107 12.602 -4.068 -2.139 1.00 34.53 H new ATOM 0 HA GLU A 107 11.820 -1.527 -1.362 1.00 62.30 H new ATOM 0 HB2 GLU A 107 14.156 -2.262 -1.558 1.00 40.03 H new ATOM 0 HB3 GLU A 107 14.004 -2.336 -3.302 1.00 40.03 H new ATOM 0 HG2 GLU A 107 13.558 0.085 -3.395 1.00 51.33 H new ATOM 0 HG3 GLU A 107 13.619 0.183 -1.646 1.00 51.33 H new ATOM 1711 N ARG A 108 11.289 -2.081 -4.558 1.00 11.05 N ATOM 1712 CA ARG A 108 10.621 -1.502 -5.721 1.00 11.45 C ATOM 1713 C ARG A 108 9.125 -1.440 -5.526 1.00 42.15 C ATOM 1714 O ARG A 108 8.455 -0.517 -6.015 1.00 61.41 O ATOM 1715 CB ARG A 108 10.954 -2.233 -7.013 1.00 44.13 C ATOM 1716 CG ARG A 108 12.407 -2.147 -7.405 1.00 35.44 C ATOM 1717 CD ARG A 108 12.644 -2.718 -8.782 1.00 12.13 C ATOM 1718 NE ARG A 108 11.874 -2.001 -9.812 1.00 50.40 N ATOM 1719 CZ ARG A 108 12.412 -1.214 -10.755 1.00 2.13 C ATOM 1720 NH1 ARG A 108 13.716 -0.966 -10.755 1.00 43.34 N ATOM 1721 NH2 ARG A 108 11.638 -0.666 -11.690 1.00 31.35 N ATOM 0 H ARG A 108 11.659 -3.022 -4.695 1.00 11.05 H new ATOM 0 HA ARG A 108 11.004 -0.486 -5.813 1.00 11.45 H new ATOM 0 HB2 ARG A 108 10.678 -3.282 -6.907 1.00 44.13 H new ATOM 0 HB3 ARG A 108 10.345 -1.823 -7.819 1.00 44.13 H new ATOM 0 HG2 ARG A 108 12.730 -1.106 -7.381 1.00 35.44 H new ATOM 0 HG3 ARG A 108 13.014 -2.686 -6.677 1.00 35.44 H new ATOM 0 HD2 ARG A 108 13.706 -2.664 -9.020 1.00 12.13 H new ATOM 0 HD3 ARG A 108 12.368 -3.773 -8.790 1.00 12.13 H new ATOM 0 HE ARG A 108 10.860 -2.111 -9.808 1.00 50.40 H new ATOM 0 HH11 ARG A 108 14.313 -1.375 -10.036 1.00 43.34 H new ATOM 0 HH12 ARG A 108 14.121 -0.367 -11.474 1.00 43.34 H new ATOM 0 HH21 ARG A 108 10.634 -0.845 -11.690 1.00 31.35 H new ATOM 0 HH22 ARG A 108 12.049 -0.068 -12.406 1.00 31.35 H new ATOM 1735 N ASP A 109 8.627 -2.395 -4.786 1.00 71.21 N ATOM 1736 CA ASP A 109 7.213 -2.520 -4.485 1.00 63.35 C ATOM 1737 C ASP A 109 6.825 -1.403 -3.516 1.00 74.20 C ATOM 1738 O ASP A 109 5.858 -0.664 -3.746 1.00 64.40 O ATOM 1739 CB ASP A 109 6.966 -3.943 -3.918 1.00 71.51 C ATOM 1740 CG ASP A 109 5.511 -4.382 -3.769 1.00 21.50 C ATOM 1741 OD1 ASP A 109 4.603 -3.629 -4.131 1.00 43.43 O ATOM 1742 OD2 ASP A 109 5.297 -5.560 -3.308 1.00 52.44 O ATOM 0 H ASP A 109 9.199 -3.126 -4.364 1.00 71.21 H new ATOM 0 HA ASP A 109 6.586 -2.408 -5.369 1.00 63.35 H new ATOM 0 HB2 ASP A 109 7.472 -4.659 -4.565 1.00 71.51 H new ATOM 0 HB3 ASP A 109 7.442 -4.006 -2.939 1.00 71.51 H new ATOM 1747 N ILE A 110 7.658 -1.189 -2.499 1.00 31.02 N ATOM 1748 CA ILE A 110 7.410 -0.115 -1.560 1.00 71.35 C ATOM 1749 C ILE A 110 7.595 1.247 -2.235 1.00 23.11 C ATOM 1750 O ILE A 110 6.826 2.158 -1.984 1.00 72.43 O ATOM 1751 CB ILE A 110 8.219 -0.218 -0.210 1.00 33.33 C ATOM 1752 CG1 ILE A 110 7.899 0.960 0.717 1.00 74.10 C ATOM 1753 CG2 ILE A 110 9.709 -0.295 -0.445 1.00 40.03 C ATOM 1754 CD1 ILE A 110 8.578 0.880 2.061 1.00 50.13 C ATOM 0 H ILE A 110 8.496 -1.740 -2.312 1.00 31.02 H new ATOM 0 HA ILE A 110 6.368 -0.222 -1.258 1.00 71.35 H new ATOM 0 HB ILE A 110 7.906 -1.144 0.271 1.00 33.33 H new ATOM 0 HG12 ILE A 110 8.195 1.887 0.226 1.00 74.10 H new ATOM 0 HG13 ILE A 110 6.821 1.009 0.868 1.00 74.10 H new ATOM 0 HG21 ILE A 110 10.225 -0.365 0.512 1.00 40.03 H new ATOM 0 HG22 ILE A 110 9.938 -1.176 -1.045 1.00 40.03 H new ATOM 0 HG23 ILE A 110 10.041 0.600 -0.972 1.00 40.03 H new ATOM 0 HD11 ILE A 110 8.303 1.748 2.660 1.00 50.13 H new ATOM 0 HD12 ILE A 110 8.264 -0.029 2.574 1.00 50.13 H new ATOM 0 HD13 ILE A 110 9.659 0.863 1.922 1.00 50.13 H new ATOM 1766 N GLU A 111 8.580 1.362 -3.147 1.00 13.24 N ATOM 1767 CA GLU A 111 8.789 2.614 -3.896 1.00 71.51 C ATOM 1768 C GLU A 111 7.565 2.934 -4.723 1.00 21.03 C ATOM 1769 O GLU A 111 7.188 4.083 -4.862 1.00 23.24 O ATOM 1770 CB GLU A 111 10.005 2.558 -4.823 1.00 74.14 C ATOM 1771 CG GLU A 111 11.347 2.462 -4.135 1.00 12.22 C ATOM 1772 CD GLU A 111 12.476 2.421 -5.129 1.00 0.31 C ATOM 1773 OE1 GLU A 111 12.701 1.370 -5.764 1.00 52.15 O ATOM 1774 OE2 GLU A 111 13.160 3.445 -5.298 1.00 25.42 O ATOM 0 H GLU A 111 9.234 0.615 -3.380 1.00 13.24 H new ATOM 0 HA GLU A 111 8.970 3.391 -3.153 1.00 71.51 H new ATOM 0 HB2 GLU A 111 9.895 1.700 -5.486 1.00 74.14 H new ATOM 0 HB3 GLU A 111 10.002 3.449 -5.451 1.00 74.14 H new ATOM 0 HG2 GLU A 111 11.478 3.316 -3.470 1.00 12.22 H new ATOM 0 HG3 GLU A 111 11.375 1.567 -3.514 1.00 12.22 H new ATOM 1781 N CYS A 112 6.936 1.906 -5.241 1.00 4.33 N ATOM 1782 CA CYS A 112 5.738 2.062 -6.029 1.00 10.20 C ATOM 1783 C CYS A 112 4.624 2.613 -5.170 1.00 11.44 C ATOM 1784 O CYS A 112 3.887 3.531 -5.587 1.00 75.44 O ATOM 1785 CB CYS A 112 5.337 0.736 -6.670 1.00 40.33 C ATOM 1786 SG CYS A 112 3.811 0.811 -7.659 1.00 44.33 S ATOM 0 H CYS A 112 7.240 0.939 -5.128 1.00 4.33 H new ATOM 0 HA CYS A 112 5.934 2.771 -6.834 1.00 10.20 H new ATOM 0 HB2 CYS A 112 6.152 0.393 -7.307 1.00 40.33 H new ATOM 0 HB3 CYS A 112 5.211 -0.010 -5.885 1.00 40.33 H new ATOM 1791 N ILE A 113 4.511 2.076 -3.978 1.00 32.25 N ATOM 1792 CA ILE A 113 3.541 2.557 -3.016 1.00 70.34 C ATOM 1793 C ILE A 113 3.867 3.997 -2.607 1.00 64.33 C ATOM 1794 O ILE A 113 2.997 4.865 -2.633 1.00 21.35 O ATOM 1795 CB ILE A 113 3.474 1.645 -1.757 1.00 73.43 C ATOM 1796 CG1 ILE A 113 3.134 0.189 -2.137 1.00 1.03 C ATOM 1797 CG2 ILE A 113 2.474 2.184 -0.740 1.00 11.32 C ATOM 1798 CD1 ILE A 113 1.813 0.016 -2.863 1.00 2.02 C ATOM 0 H ILE A 113 5.083 1.299 -3.647 1.00 32.25 H new ATOM 0 HA ILE A 113 2.563 2.532 -3.496 1.00 70.34 H new ATOM 0 HB ILE A 113 4.462 1.650 -1.296 1.00 73.43 H new ATOM 0 HG12 ILE A 113 3.933 -0.204 -2.766 1.00 1.03 H new ATOM 0 HG13 ILE A 113 3.116 -0.414 -1.229 1.00 1.03 H new ATOM 0 HG21 ILE A 113 2.449 1.526 0.129 1.00 11.32 H new ATOM 0 HG22 ILE A 113 2.775 3.185 -0.429 1.00 11.32 H new ATOM 0 HG23 ILE A 113 1.483 2.227 -1.192 1.00 11.32 H new ATOM 0 HD11 ILE A 113 1.658 -1.039 -3.090 1.00 2.02 H new ATOM 0 HD12 ILE A 113 1.001 0.374 -2.231 1.00 2.02 H new ATOM 0 HD13 ILE A 113 1.830 0.588 -3.791 1.00 2.02 H new ATOM 1810 N VAL A 114 5.125 4.251 -2.303 1.00 21.31 N ATOM 1811 CA VAL A 114 5.556 5.568 -1.855 1.00 73.32 C ATOM 1812 C VAL A 114 5.336 6.603 -2.950 1.00 32.33 C ATOM 1813 O VAL A 114 4.868 7.691 -2.678 1.00 44.23 O ATOM 1814 CB VAL A 114 7.040 5.583 -1.349 1.00 22.00 C ATOM 1815 CG1 VAL A 114 7.481 6.991 -0.958 1.00 50.13 C ATOM 1816 CG2 VAL A 114 7.200 4.659 -0.151 1.00 34.21 C ATOM 0 H VAL A 114 5.873 3.560 -2.358 1.00 21.31 H new ATOM 0 HA VAL A 114 4.939 5.830 -0.996 1.00 73.32 H new ATOM 0 HB VAL A 114 7.668 5.235 -2.169 1.00 22.00 H new ATOM 0 HG11 VAL A 114 8.514 6.966 -0.612 1.00 50.13 H new ATOM 0 HG12 VAL A 114 7.404 7.650 -1.823 1.00 50.13 H new ATOM 0 HG13 VAL A 114 6.840 7.364 -0.160 1.00 50.13 H new ATOM 0 HG21 VAL A 114 8.235 4.680 0.189 1.00 34.21 H new ATOM 0 HG22 VAL A 114 6.546 4.992 0.655 1.00 34.21 H new ATOM 0 HG23 VAL A 114 6.933 3.642 -0.438 1.00 34.21 H new ATOM 1826 N LYS A 115 5.597 6.220 -4.189 1.00 14.22 N ATOM 1827 CA LYS A 115 5.413 7.103 -5.335 1.00 54.35 C ATOM 1828 C LYS A 115 3.948 7.491 -5.476 1.00 11.14 C ATOM 1829 O LYS A 115 3.622 8.634 -5.793 1.00 74.12 O ATOM 1830 CB LYS A 115 5.909 6.429 -6.617 1.00 62.11 C ATOM 1831 CG LYS A 115 5.820 7.301 -7.867 1.00 53.22 C ATOM 1832 CD LYS A 115 6.346 6.578 -9.102 1.00 54.04 C ATOM 1833 CE LYS A 115 5.535 5.324 -9.412 1.00 0.34 C ATOM 1834 NZ LYS A 115 6.004 4.638 -10.630 1.00 5.32 N ATOM 0 H LYS A 115 5.942 5.291 -4.431 1.00 14.22 H new ATOM 0 HA LYS A 115 5.999 8.007 -5.170 1.00 54.35 H new ATOM 0 HB2 LYS A 115 6.946 6.125 -6.475 1.00 62.11 H new ATOM 0 HB3 LYS A 115 5.330 5.520 -6.782 1.00 62.11 H new ATOM 0 HG2 LYS A 115 4.783 7.595 -8.032 1.00 53.22 H new ATOM 0 HG3 LYS A 115 6.390 8.217 -7.712 1.00 53.22 H new ATOM 0 HD2 LYS A 115 6.315 7.252 -9.958 1.00 54.04 H new ATOM 0 HD3 LYS A 115 7.390 6.307 -8.947 1.00 54.04 H new ATOM 0 HE2 LYS A 115 5.594 4.638 -8.567 1.00 0.34 H new ATOM 0 HE3 LYS A 115 4.486 5.594 -9.531 1.00 0.34 H new ATOM 0 HZ1 LYS A 115 5.422 3.793 -10.798 1.00 5.32 H new ATOM 0 HZ2 LYS A 115 5.924 5.281 -11.443 1.00 5.32 H new ATOM 0 HZ3 LYS A 115 6.998 4.356 -10.509 1.00 5.32 H new ATOM 1848 N ALA A 116 3.069 6.542 -5.222 1.00 34.41 N ATOM 1849 CA ALA A 116 1.646 6.805 -5.282 1.00 62.21 C ATOM 1850 C ALA A 116 1.245 7.780 -4.195 1.00 55.33 C ATOM 1851 O ALA A 116 0.479 8.711 -4.433 1.00 71.03 O ATOM 1852 CB ALA A 116 0.851 5.526 -5.190 1.00 4.01 C ATOM 0 H ALA A 116 3.315 5.584 -4.973 1.00 34.41 H new ATOM 0 HA ALA A 116 1.421 7.259 -6.247 1.00 62.21 H new ATOM 0 HB1 ALA A 116 -0.214 5.755 -5.238 1.00 4.01 H new ATOM 0 HB2 ALA A 116 1.119 4.871 -6.019 1.00 4.01 H new ATOM 0 HB3 ALA A 116 1.073 5.027 -4.247 1.00 4.01 H new ATOM 1858 N ILE A 117 1.788 7.583 -3.016 1.00 53.11 N ATOM 1859 CA ILE A 117 1.534 8.490 -1.909 1.00 70.44 C ATOM 1860 C ILE A 117 2.127 9.878 -2.201 1.00 42.33 C ATOM 1861 O ILE A 117 1.458 10.890 -1.995 1.00 32.55 O ATOM 1862 CB ILE A 117 2.016 7.917 -0.509 1.00 54.44 C ATOM 1863 CG1 ILE A 117 0.976 6.951 0.105 1.00 75.21 C ATOM 1864 CG2 ILE A 117 2.360 9.022 0.496 1.00 74.41 C ATOM 1865 CD1 ILE A 117 0.678 5.701 -0.691 1.00 2.33 C ATOM 0 H ILE A 117 2.409 6.805 -2.794 1.00 53.11 H new ATOM 0 HA ILE A 117 0.452 8.593 -1.822 1.00 70.44 H new ATOM 0 HB ILE A 117 2.930 7.361 -0.717 1.00 54.44 H new ATOM 0 HG12 ILE A 117 1.326 6.653 1.093 1.00 75.21 H new ATOM 0 HG13 ILE A 117 0.043 7.497 0.248 1.00 75.21 H new ATOM 0 HG21 ILE A 117 2.683 8.572 1.435 1.00 74.41 H new ATOM 0 HG22 ILE A 117 3.162 9.641 0.095 1.00 74.41 H new ATOM 0 HG23 ILE A 117 1.479 9.639 0.674 1.00 74.41 H new ATOM 0 HD11 ILE A 117 -0.064 5.102 -0.163 1.00 2.33 H new ATOM 0 HD12 ILE A 117 0.290 5.978 -1.671 1.00 2.33 H new ATOM 0 HD13 ILE A 117 1.593 5.121 -0.813 1.00 2.33 H new ATOM 1877 N GLU A 118 3.345 9.913 -2.745 1.00 34.42 N ATOM 1878 CA GLU A 118 3.997 11.182 -3.069 1.00 54.31 C ATOM 1879 C GLU A 118 3.190 11.949 -4.078 1.00 33.40 C ATOM 1880 O GLU A 118 2.960 13.151 -3.899 1.00 4.12 O ATOM 1881 CB GLU A 118 5.443 11.028 -3.568 1.00 55.25 C ATOM 1882 CG GLU A 118 6.424 10.438 -2.569 1.00 14.53 C ATOM 1883 CD GLU A 118 7.847 10.436 -3.097 1.00 75.13 C ATOM 1884 OE1 GLU A 118 8.123 9.762 -4.111 1.00 73.01 O ATOM 1885 OE2 GLU A 118 8.727 11.126 -2.514 1.00 10.03 O ATOM 0 H GLU A 118 3.896 9.084 -2.969 1.00 34.42 H new ATOM 0 HA GLU A 118 4.048 11.735 -2.131 1.00 54.31 H new ATOM 0 HB2 GLU A 118 5.436 10.399 -4.458 1.00 55.25 H new ATOM 0 HB3 GLU A 118 5.809 12.008 -3.874 1.00 55.25 H new ATOM 0 HG2 GLU A 118 6.383 11.009 -1.641 1.00 14.53 H new ATOM 0 HG3 GLU A 118 6.126 9.418 -2.329 1.00 14.53 H new ATOM 1892 N GLU A 119 2.716 11.261 -5.115 1.00 72.44 N ATOM 1893 CA GLU A 119 1.902 11.924 -6.097 1.00 71.15 C ATOM 1894 C GLU A 119 0.617 12.381 -5.484 1.00 63.34 C ATOM 1895 O GLU A 119 0.275 13.507 -5.589 1.00 22.50 O ATOM 1896 CB GLU A 119 1.607 11.092 -7.357 1.00 1.13 C ATOM 1897 CG GLU A 119 2.762 10.968 -8.337 1.00 13.11 C ATOM 1898 CD GLU A 119 2.313 10.394 -9.672 1.00 51.31 C ATOM 1899 OE1 GLU A 119 1.726 11.145 -10.500 1.00 42.32 O ATOM 1900 OE2 GLU A 119 2.515 9.192 -9.922 1.00 12.30 O ATOM 0 H GLU A 119 2.883 10.269 -5.284 1.00 72.44 H new ATOM 0 HA GLU A 119 2.495 12.775 -6.432 1.00 71.15 H new ATOM 0 HB2 GLU A 119 1.304 10.091 -7.049 1.00 1.13 H new ATOM 0 HB3 GLU A 119 0.758 11.537 -7.876 1.00 1.13 H new ATOM 0 HG2 GLU A 119 3.210 11.949 -8.496 1.00 13.11 H new ATOM 0 HG3 GLU A 119 3.535 10.330 -7.909 1.00 13.11 H new ATOM 1907 N CYS A 120 -0.020 11.536 -4.746 1.00 5.43 N ATOM 1908 CA CYS A 120 -1.347 11.845 -4.259 1.00 41.41 C ATOM 1909 C CYS A 120 -1.319 12.980 -3.214 1.00 21.54 C ATOM 1910 O CYS A 120 -2.314 13.673 -2.994 1.00 60.33 O ATOM 1911 CB CYS A 120 -2.034 10.574 -3.750 1.00 53.34 C ATOM 1912 SG CYS A 120 -3.846 10.586 -3.837 1.00 61.31 S ATOM 0 H CYS A 120 0.343 10.627 -4.461 1.00 5.43 H new ATOM 0 HA CYS A 120 -1.946 12.224 -5.087 1.00 41.41 H new ATOM 0 HB2 CYS A 120 -1.664 9.725 -4.326 1.00 53.34 H new ATOM 0 HB3 CYS A 120 -1.737 10.410 -2.714 1.00 53.34 H new ATOM 1917 N LEU A 121 -0.187 13.174 -2.588 1.00 52.33 N ATOM 1918 CA LEU A 121 -0.029 14.277 -1.695 1.00 34.43 C ATOM 1919 C LEU A 121 0.298 15.561 -2.447 1.00 13.22 C ATOM 1920 O LEU A 121 -0.348 16.592 -2.236 1.00 55.31 O ATOM 1921 CB LEU A 121 1.010 13.972 -0.606 1.00 51.33 C ATOM 1922 CG LEU A 121 0.484 13.336 0.696 1.00 23.22 C ATOM 1923 CD1 LEU A 121 -0.345 12.096 0.428 1.00 45.32 C ATOM 1924 CD2 LEU A 121 1.644 13.000 1.607 1.00 1.22 C ATOM 0 H LEU A 121 0.636 12.579 -2.685 1.00 52.33 H new ATOM 0 HA LEU A 121 -0.984 14.434 -1.194 1.00 34.43 H new ATOM 0 HB2 LEU A 121 1.762 13.306 -1.030 1.00 51.33 H new ATOM 0 HB3 LEU A 121 1.517 14.902 -0.349 1.00 51.33 H new ATOM 0 HG LEU A 121 -0.166 14.064 1.182 1.00 23.22 H new ATOM 0 HD11 LEU A 121 -0.695 11.681 1.373 1.00 45.32 H new ATOM 0 HD12 LEU A 121 -1.202 12.358 -0.193 1.00 45.32 H new ATOM 0 HD13 LEU A 121 0.265 11.356 -0.090 1.00 45.32 H new ATOM 0 HD21 LEU A 121 1.267 12.551 2.526 1.00 1.22 H new ATOM 0 HD22 LEU A 121 2.309 12.297 1.105 1.00 1.22 H new ATOM 0 HD23 LEU A 121 2.194 13.910 1.847 1.00 1.22 H new ATOM 1936 N ALA A 122 1.239 15.483 -3.365 1.00 41.43 N ATOM 1937 CA ALA A 122 1.745 16.665 -4.042 1.00 23.35 C ATOM 1938 C ALA A 122 0.873 17.094 -5.214 1.00 32.34 C ATOM 1939 O ALA A 122 0.827 18.267 -5.566 1.00 51.10 O ATOM 1940 CB ALA A 122 3.180 16.448 -4.496 1.00 24.22 C ATOM 0 H ALA A 122 1.673 14.609 -3.663 1.00 41.43 H new ATOM 0 HA ALA A 122 1.718 17.478 -3.316 1.00 23.35 H new ATOM 0 HB1 ALA A 122 3.541 17.344 -5.001 1.00 24.22 H new ATOM 0 HB2 ALA A 122 3.808 16.241 -3.630 1.00 24.22 H new ATOM 0 HB3 ALA A 122 3.220 15.603 -5.183 1.00 24.22 H new ATOM 1946 N LYS A 123 0.163 16.159 -5.774 1.00 31.10 N ATOM 1947 CA LYS A 123 -0.651 16.367 -6.946 1.00 31.41 C ATOM 1948 C LYS A 123 -2.098 16.469 -6.484 1.00 0.41 C ATOM 1949 O LYS A 123 -3.030 16.512 -7.283 1.00 44.12 O ATOM 1950 CB LYS A 123 -0.421 15.138 -7.829 1.00 44.44 C ATOM 1951 CG LYS A 123 -0.953 15.091 -9.235 1.00 21.34 C ATOM 1952 CD LYS A 123 -0.598 13.715 -9.775 1.00 3.51 C ATOM 1953 CE LYS A 123 -0.898 13.525 -11.234 1.00 35.43 C ATOM 1954 NZ LYS A 123 -0.535 12.149 -11.646 1.00 40.53 N ATOM 0 H LYS A 123 0.130 15.202 -5.422 1.00 31.10 H new ATOM 0 HA LYS A 123 -0.408 17.273 -7.501 1.00 31.41 H new ATOM 0 HB2 LYS A 123 0.656 14.983 -7.889 1.00 44.44 H new ATOM 0 HB3 LYS A 123 -0.837 14.281 -7.300 1.00 44.44 H new ATOM 0 HG2 LYS A 123 -2.031 15.249 -9.249 1.00 21.34 H new ATOM 0 HG3 LYS A 123 -0.508 15.876 -9.846 1.00 21.34 H new ATOM 0 HD2 LYS A 123 0.464 13.536 -9.609 1.00 3.51 H new ATOM 0 HD3 LYS A 123 -1.142 12.963 -9.204 1.00 3.51 H new ATOM 0 HE2 LYS A 123 -1.956 13.704 -11.423 1.00 35.43 H new ATOM 0 HE3 LYS A 123 -0.341 14.251 -11.827 1.00 35.43 H new ATOM 0 HZ1 LYS A 123 -0.583 12.073 -12.682 1.00 40.53 H new ATOM 0 HZ2 LYS A 123 0.432 11.935 -11.328 1.00 40.53 H new ATOM 0 HZ3 LYS A 123 -1.198 11.472 -11.218 1.00 40.53 H new ATOM 1968 N GLY A 124 -2.250 16.557 -5.165 1.00 61.21 N ATOM 1969 CA GLY A 124 -3.528 16.548 -4.503 1.00 30.44 C ATOM 1970 C GLY A 124 -4.316 17.822 -4.610 1.00 32.55 C ATOM 1971 O GLY A 124 -4.680 18.431 -3.604 1.00 21.30 O ATOM 0 H GLY A 124 -1.462 16.638 -4.522 1.00 61.21 H new ATOM 0 HA2 GLY A 124 -4.126 15.735 -4.914 1.00 30.44 H new ATOM 0 HA3 GLY A 124 -3.370 16.325 -3.448 1.00 30.44 H new ATOM 1975 N GLU A 125 -4.554 18.195 -5.803 1.00 61.12 N ATOM 1976 CA GLU A 125 -5.409 19.290 -6.175 1.00 60.30 C ATOM 1977 C GLU A 125 -5.533 19.269 -7.672 1.00 30.42 C ATOM 1978 O GLU A 125 -4.639 19.705 -8.392 1.00 53.44 O ATOM 1979 CB GLU A 125 -4.910 20.664 -5.705 1.00 54.22 C ATOM 1980 CG GLU A 125 -5.974 21.744 -5.847 1.00 42.23 C ATOM 1981 CD GLU A 125 -5.509 23.108 -5.423 1.00 55.43 C ATOM 1982 OE1 GLU A 125 -5.118 23.288 -4.252 1.00 72.25 O ATOM 1983 OE2 GLU A 125 -5.563 24.050 -6.250 1.00 53.54 O ATOM 0 H GLU A 125 -4.140 17.727 -6.610 1.00 61.12 H new ATOM 0 HA GLU A 125 -6.370 19.153 -5.679 1.00 60.30 H new ATOM 0 HB2 GLU A 125 -4.599 20.598 -4.662 1.00 54.22 H new ATOM 0 HB3 GLU A 125 -4.030 20.946 -6.283 1.00 54.22 H new ATOM 0 HG2 GLU A 125 -6.299 21.787 -6.887 1.00 42.23 H new ATOM 0 HG3 GLU A 125 -6.844 21.465 -5.252 1.00 42.23 H new